smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2cc(CN3CCSC[C@@H]3CC(=O)[O-])cn2)cc1 ZINC000901982731 980660874 /nfs/dbraw/zinc/66/08/74/980660874.db2.gz DSADNPNVGHENGP-HNNXBMFYSA-N -1 1 347.440 2.273 20 0 EEADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001595368502 980827749 /nfs/dbraw/zinc/82/77/49/980827749.db2.gz JENWPOGCXKRRLG-GOSISDBHSA-N -1 1 348.399 2.209 20 0 EEADMM CC(C)OCc1noc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000903902275 981029988 /nfs/dbraw/zinc/02/99/88/981029988.db2.gz XMSCMUHWUFFIFI-LBPRGKRZSA-N -1 1 325.409 2.317 20 0 EEADMM CC[C@@](C)(NCC(=O)NCCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001594848390 982079272 /nfs/dbraw/zinc/07/92/72/982079272.db2.gz BSCZGDXIHZKOFM-OAHLLOKOSA-N -1 1 347.242 2.495 20 0 EEADMM CCCCCC[C@](O)(CN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1)C(=O)[O-] ZINC001595697240 982239536 /nfs/dbraw/zinc/23/95/36/982239536.db2.gz IWYJHTDIFBRPSB-NAYXTTFHSA-N -1 1 333.494 2.004 20 0 EEADMM CCN1C[C@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1=O ZINC001596401375 983952452 /nfs/dbraw/zinc/95/24/52/983952452.db2.gz CEGVNROMPAFLHZ-CQSZACIVSA-N -1 1 328.368 2.355 20 0 EEADMM CC(=O)N(c1nc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cs1)C1CC1 ZINC001589053949 985148647 /nfs/dbraw/zinc/14/86/47/985148647.db2.gz FQQJSZDPUQLYCM-GLQYFDAESA-N -1 1 349.456 2.344 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@H](C)N1C ZINC001599922503 985155084 /nfs/dbraw/zinc/15/50/84/985155084.db2.gz PTDMXOYTQNTWGD-BETUJISGSA-N -1 1 335.404 2.096 20 0 EEADMM Cc1[nH]c(CN(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001599961467 985789961 /nfs/dbraw/zinc/78/99/61/985789961.db2.gz HCXORQDXLLCODQ-CYBMUJFWSA-N -1 1 337.420 2.463 20 0 EEADMM Cc1[nH]c(CNCC(=O)N2CCCc3ccccc32)cc1C(=O)[O-] ZINC001599964275 985866632 /nfs/dbraw/zinc/86/66/32/985866632.db2.gz ZQFBWEZDHZERSR-UHFFFAOYSA-N -1 1 327.384 2.090 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1CCC2(CC2)CC1 ZINC001594517098 985926933 /nfs/dbraw/zinc/92/69/33/985926933.db2.gz ZOBLIBJDPXPGQM-CQSZACIVSA-N -1 1 337.464 2.147 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnn(C2CCCCC2)c1 ZINC001594522435 986005123 /nfs/dbraw/zinc/00/51/23/986005123.db2.gz PPZLLTXKPOLKDB-CQSZACIVSA-N -1 1 348.447 2.009 20 0 EEADMM C[C@@H]1CN(Cc2oncc2C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001594550136 986250833 /nfs/dbraw/zinc/25/08/33/986250833.db2.gz IZVPKYLUYYAJNH-KGLIPLIRSA-N -1 1 329.400 2.468 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cnc(N)s1 ZINC001594569218 986377888 /nfs/dbraw/zinc/37/78/88/986377888.db2.gz OEAPZLDKVWWOMG-LLVKDONJSA-N -1 1 332.429 2.134 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC001594627223 986697047 /nfs/dbraw/zinc/69/70/47/986697047.db2.gz ROOFBNINWMYEOH-KCJUWKMLSA-N -1 1 339.355 2.289 20 0 EEADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)C1 ZINC001594627226 986697430 /nfs/dbraw/zinc/69/74/30/986697430.db2.gz ROOFBNINWMYEOH-KWQFWETISA-N -1 1 339.355 2.289 20 0 EEADMM CCOc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001597101727 986719811 /nfs/dbraw/zinc/71/98/11/986719811.db2.gz BDMIWLAFRSYFKV-DBQDNQAGSA-N -1 1 333.384 2.083 20 0 EEADMM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589435528 986745873 /nfs/dbraw/zinc/74/58/73/986745873.db2.gz LCAQLTLXAIQTPX-XJKCOSOUSA-N -1 1 348.443 2.079 20 0 EEADMM CC(C)(C)C[C@@H](OC(=O)CC1(N2CCOCC2)CCCC1)C(=O)[O-] ZINC001589759755 988077737 /nfs/dbraw/zinc/07/77/37/988077737.db2.gz DJRCKVNHFUIJEE-CQSZACIVSA-N -1 1 341.448 2.454 20 0 EEADMM CSc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)ccc1F ZINC001599807354 988277044 /nfs/dbraw/zinc/27/70/44/988277044.db2.gz DSSPZVMZAYUQIR-NSHDSACASA-N -1 1 340.420 2.169 20 0 EEADMM CC(C)(C)N1CCc2nc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2C1 ZINC001589825204 988293879 /nfs/dbraw/zinc/29/38/79/988293879.db2.gz TXIQLDUVXAYGNT-VHSXEESVSA-N -1 1 337.445 2.349 20 0 EEADMM CCc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001597651822 988694582 /nfs/dbraw/zinc/69/45/82/988694582.db2.gz CVUKBFKHSHXGEY-AWEZNQCLSA-N -1 1 347.459 2.388 20 0 EEADMM CCc1nc(C(C)C)ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001597651899 988695400 /nfs/dbraw/zinc/69/54/00/988695400.db2.gz FKYUTCUGKVINTD-CQSZACIVSA-N -1 1 347.459 2.388 20 0 EEADMM CCc1ncsc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597711750 988970932 /nfs/dbraw/zinc/97/09/32/988970932.db2.gz CASGWXZLQLCNQS-UHFFFAOYSA-N -1 1 326.399 2.346 20 0 EEADMM CN(C)c1ncc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC001598354390 991468914 /nfs/dbraw/zinc/46/89/14/991468914.db2.gz WSAFMOOHIMFCQJ-AWEZNQCLSA-N -1 1 334.807 2.454 20 0 EEADMM COc1cnc([C@@H]2CCC[N@H+]2C[C@H]2CCCC[C@H]2C(=O)[O-])[n-]c1=O ZINC001599724798 991601208 /nfs/dbraw/zinc/60/12/08/991601208.db2.gz NKRYEJBUMSNCQW-UPJWGTAASA-N -1 1 335.404 2.219 20 0 EEADMM CS(=O)(=O)c1cccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)c1 ZINC001599772300 992260277 /nfs/dbraw/zinc/26/02/77/992260277.db2.gz MOXLCGWIPAWXGH-UHFFFAOYSA-N -1 1 348.424 2.284 20 0 EEADMM C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1nnc[nH]1 ZINC001593118235 993826490 /nfs/dbraw/zinc/82/64/90/993826490.db2.gz GXQCKHLRBFLJRD-SECBINFHSA-N -1 1 335.389 2.005 20 0 EEADMM COc1ccc(OCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001599605340 993876806 /nfs/dbraw/zinc/87/68/06/993876806.db2.gz JBCLFJFTOVEVBU-UHFFFAOYSA-N -1 1 341.323 2.287 20 0 EEADMM C[C@@H](NCC(=O)N1CCCC[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC001593231706 994377071 /nfs/dbraw/zinc/37/70/71/994377071.db2.gz RONFKPFVQRNZRN-UONOGXRCSA-N -1 1 334.416 2.202 20 0 EEADMM C[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccccc1OCC(=O)[O-] ZINC001593234406 994401295 /nfs/dbraw/zinc/40/12/95/994401295.db2.gz ZMSAGZGCPJZCCS-WBMJQRKESA-N -1 1 340.379 2.364 20 0 EEADMM C[C@@H](NC[C@]1(C(F)(F)F)CCCN1)c1ccccc1OCC(=O)[O-] ZINC001593247186 994461693 /nfs/dbraw/zinc/46/16/93/994461693.db2.gz DRHVPRNWCNKAJE-ABAIWWIYSA-N -1 1 346.349 2.485 20 0 EEADMM C[C@H](NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593249114 994476526 /nfs/dbraw/zinc/47/65/26/994476526.db2.gz WGIGLIFUDMMSHL-ONGXEEELSA-N -1 1 341.310 2.347 20 0 EEADMM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598654797 994503949 /nfs/dbraw/zinc/50/39/49/994503949.db2.gz YNBLCBMRDRAMFJ-ZDUSSCGKSA-N -1 1 349.431 2.233 20 0 EEADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C[C@@H](C)c1ccc(OC)cc1 ZINC001598766003 995832275 /nfs/dbraw/zinc/83/22/75/995832275.db2.gz DQMFZVGHHNSDLC-INWMFGNUSA-N -1 1 335.400 2.137 20 0 EEADMM C[C@@H](Oc1ccccc1CNCc1c(C2CC2)cnn1C)C(=O)[O-] ZINC001593648016 995995407 /nfs/dbraw/zinc/99/54/07/995995407.db2.gz GULVGDBQSDGQIZ-GFCCVEGCSA-N -1 1 329.400 2.439 20 0 EEADMM COC(=O)[C@@H]1CSCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001598824417 996366359 /nfs/dbraw/zinc/36/63/59/996366359.db2.gz HNOCGHAJJJIQTK-AAEUAGOBSA-N -1 1 343.832 2.304 20 0 EEADMM COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C[C@@H]21 ZINC001598902685 997202287 /nfs/dbraw/zinc/20/22/87/997202287.db2.gz XWKADHYMTVFIGA-QLPKVWCKSA-N -1 1 341.363 2.496 20 0 EEADMM COC[C@@]1(CO)CC[N@H+]([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001599201190 997308584 /nfs/dbraw/zinc/30/85/84/997308584.db2.gz RHFVTROZYOMFJA-ZFWWWQNUSA-N -1 1 347.333 2.162 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NCC(=O)Nc2cc(C)ccc2C)C(=O)[O-])C1 ZINC001599108763 997529064 /nfs/dbraw/zinc/52/90/64/997529064.db2.gz DVUFPMZLNXUOCF-DAYGRLMNSA-N -1 1 348.443 2.490 20 0 EEADMM COC(=O)c1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])oc1C ZINC001598930027 997731204 /nfs/dbraw/zinc/73/12/04/997731204.db2.gz HNDUKQMLHARTCA-MRXNPFEDSA-N -1 1 329.352 2.386 20 0 EEADMM COc1c(NC(=O)N2CCN(CC(C)C)CC2)cccc1C(=O)[O-] ZINC001599340768 997918911 /nfs/dbraw/zinc/91/89/11/997918911.db2.gz UFBNQKMFPJFAQO-UHFFFAOYSA-N -1 1 335.404 2.199 20 0 EEADMM COC[C@H](C)n1c(C)cc(C(=O)CN2CCC[C@H]2CC(=O)[O-])c1C ZINC001599160075 998441860 /nfs/dbraw/zinc/44/18/60/998441860.db2.gz OYSGLDLUNUMWNJ-ZFWWWQNUSA-N -1 1 336.432 2.434 20 0 EEADMM C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001594220827 998850121 /nfs/dbraw/zinc/85/01/21/998850121.db2.gz GXNQWBVBEVUKQH-QSJFSLAZSA-N -1 1 332.444 2.165 20 0 EEADMM COC(=O)c1cnc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC001599007259 998865803 /nfs/dbraw/zinc/86/58/03/998865803.db2.gz JPSDUFKZQIMXND-HNNXBMFYSA-N -1 1 343.383 2.205 20 0 EEADMM C[C@H]1C[C@@H](CO)CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594244329 998930121 /nfs/dbraw/zinc/93/01/21/998930121.db2.gz VGJLFSATPFWQEL-QWHCGFSZSA-N -1 1 330.384 2.490 20 0 EEADMM C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(OCC(=O)[O-])cc1)C[C@H](C)O2 ZINC001594288083 999115287 /nfs/dbraw/zinc/11/52/87/999115287.db2.gz ZJYIWRLDYKBPSH-ZRGWGRIASA-N -1 1 349.427 2.308 20 0 EEADMM C[C@@H]1CCCCN1C(=O)CN[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001594371073 999399093 /nfs/dbraw/zinc/39/90/93/999399093.db2.gz ZHCCWMFNCFPFDW-FZKQIMNGSA-N -1 1 336.407 2.202 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001594448039 999643023 /nfs/dbraw/zinc/64/30/23/999643023.db2.gz MZROUEBPSUZSLB-HPEXNQPKSA-N -1 1 346.358 2.454 20 0 EEADMM COc1cnc(CNC(=O)[C@H]2CC[C@@H](c3ccccc3)C2)[n-]c1=O ZINC001553171030 1125582143 /nfs/dbraw/zinc/58/21/43/1125582143.db2.gz JJHJXOSAQZBFSS-KGLIPLIRSA-N -1 1 327.384 2.391 20 0 EEADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CCCCCC1 ZINC001438720088 1091247336 /nfs/dbraw/zinc/24/73/36/1091247336.db2.gz BCTKSJGGEXUWMJ-AWEZNQCLSA-N -1 1 337.468 2.101 20 0 EEADMM CC1(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CCCCC2)CCCC1 ZINC001438751146 1091309794 /nfs/dbraw/zinc/30/97/94/1091309794.db2.gz WVXJJEZMFJBXOB-AWEZNQCLSA-N -1 1 349.479 2.245 20 0 EEADMM CC1CC(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)C1 ZINC001452067570 1098171776 /nfs/dbraw/zinc/17/17/76/1098171776.db2.gz BSFOPALEWFLWKD-YIZWMMSDSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1cccs1 ZINC001443783389 1098271523 /nfs/dbraw/zinc/27/15/23/1098271523.db2.gz XCGNBXWUHMSGCS-NEPJUHHUSA-N -1 1 347.440 2.229 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1scnc1Cl ZINC001444208984 1098767808 /nfs/dbraw/zinc/76/78/08/1098767808.db2.gz WRYNTNRVAIVSPA-UHFFFAOYSA-N -1 1 336.764 2.141 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001444501814 1099230983 /nfs/dbraw/zinc/23/09/83/1099230983.db2.gz ATTNEBFMZOOIJC-STQMWFEESA-N -1 1 333.432 2.333 20 0 EEADMM Cc1cnc(CNCC2(NC(=O)c3[nH]nc(C)c3[O-])CCCC2)s1 ZINC001495147991 1100819482 /nfs/dbraw/zinc/81/94/82/1100819482.db2.gz QANJVIBUGHDGIR-UHFFFAOYSA-N -1 1 349.460 2.021 20 0 EEADMM Cc1cccc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1Cl ZINC001448153719 1104118340 /nfs/dbraw/zinc/11/83/40/1104118340.db2.gz OZZBEVPXAXOHEO-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM C[C@H](CNC(=O)CC(C)(C)C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001449816771 1104963860 /nfs/dbraw/zinc/96/38/60/1104963860.db2.gz SOCOLWBPFMMDHQ-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 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COc1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737110742 578238449 /nfs/dbraw/zinc/23/84/49/578238449.db2.gz DEJQEIVIFIXBHY-UHFFFAOYSA-N -1 1 346.778 2.415 20 0 EEADMM CCOC(=O)c1sc(NC(=O)CN[C@@](C)(CC)C(=O)[O-])cc1C ZINC000737156668 578241524 /nfs/dbraw/zinc/24/15/24/578241524.db2.gz OXVBDPQOKLAGPD-HNNXBMFYSA-N -1 1 342.417 2.015 20 0 EEADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737248699 578245975 /nfs/dbraw/zinc/24/59/75/578245975.db2.gz LAEIJRDEHSZGGP-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737248699 578245976 /nfs/dbraw/zinc/24/59/76/578245976.db2.gz LAEIJRDEHSZGGP-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM CCn1cc(CN2CCCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)cn1 ZINC000737301244 578249120 /nfs/dbraw/zinc/24/91/20/578249120.db2.gz PEFKOCWBXBPINS-UHFFFAOYSA-N -1 1 346.431 2.211 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737953844 578274270 /nfs/dbraw/zinc/27/42/70/578274270.db2.gz 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2.027 20 0 EEADMM Cc1cc(Cl)c(N)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826267683 607607597 /nfs/dbraw/zinc/60/75/97/607607597.db2.gz QGCWFQULJQKDGF-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM Cc1cc(Cl)c(N)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826267683 607607599 /nfs/dbraw/zinc/60/75/99/607607599.db2.gz QGCWFQULJQKDGF-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM O=C([O-])C1(O)CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 ZINC000833785590 604747903 /nfs/dbraw/zinc/74/79/03/604747903.db2.gz GSCQJJLCXPMFPY-UHFFFAOYSA-N -1 1 349.770 2.251 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833634654 604752749 /nfs/dbraw/zinc/75/27/49/604752749.db2.gz JQPPWGZYOSIIIV-HOCLYGCPSA-N -1 1 330.428 2.403 20 0 EEADMM COc1ccc(C)nc1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833730951 605012138 /nfs/dbraw/zinc/01/21/38/605012138.db2.gz MILVOSYTQYREGM-UHFFFAOYSA-N -1 1 336.369 2.039 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000833625254 605102809 /nfs/dbraw/zinc/10/28/09/605102809.db2.gz KHAGZZYQOFAYMS-HNNXBMFYSA-N -1 1 341.411 2.098 20 0 EEADMM CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@H]1C ZINC000833655208 605132718 /nfs/dbraw/zinc/13/27/18/605132718.db2.gz BDUFUACUQHWSCD-KGLIPLIRSA-N -1 1 343.427 2.281 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@H]1C ZINC000833655208 605132719 /nfs/dbraw/zinc/13/27/19/605132719.db2.gz BDUFUACUQHWSCD-KGLIPLIRSA-N -1 1 343.427 2.281 20 0 EEADMM CC(=O)N1CCN([C@H](C(=O)[O-])c2cccnc2)CC12CCCCC2 ZINC000833391057 605142147 /nfs/dbraw/zinc/14/21/47/605142147.db2.gz MXVHQMMNJAZBBO-INIZCTEOSA-N -1 1 331.416 2.074 20 0 EEADMM CC(C)[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833466346 605159470 /nfs/dbraw/zinc/15/94/70/605159470.db2.gz XIDMYNZDQMFCQX-CRAIPNDOSA-N -1 1 332.444 2.434 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@@H]1C ZINC000833656221 605160254 /nfs/dbraw/zinc/16/02/54/605160254.db2.gz IULMOZBLIQWWBZ-QWHCGFSZSA-N -1 1 334.420 2.401 20 0 EEADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CCN1C ZINC000251857888 605209484 /nfs/dbraw/zinc/20/94/84/605209484.db2.gz SDSBKCHAAGZPQV-ZWNOBZJWSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@H]1CN(C(=O)c2ccccc2OCC2CC2)CCN1CCC(=O)[O-] ZINC000833626471 605252700 /nfs/dbraw/zinc/25/27/00/605252700.db2.gz WTCWVOFEHFIDKY-AWEZNQCLSA-N -1 1 346.427 2.096 20 0 EEADMM O=C(Cc1ccccc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823115097 606195878 /nfs/dbraw/zinc/19/58/78/606195878.db2.gz JOEYZTCUGHNZNP-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM COc1ccc(C)cc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821782798 606294101 /nfs/dbraw/zinc/29/41/01/606294101.db2.gz ODKPVEPMIILISL-UHFFFAOYSA-N -1 1 339.355 2.071 20 0 EEADMM Cc1ccc2oc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2n1 ZINC000822283805 606296831 /nfs/dbraw/zinc/29/68/31/606296831.db2.gz DJTZULCGHUFXGD-UHFFFAOYSA-N -1 1 336.311 2.274 20 0 EEADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)Nc2ccc(Cl)cc21 ZINC000823540479 606394383 /nfs/dbraw/zinc/39/43/83/606394383.db2.gz GLIAEECBZRNLCT-NSHDSACASA-N -1 1 332.776 2.436 20 0 EEADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)OC1CCCCC1 ZINC000823014300 606423267 /nfs/dbraw/zinc/42/32/67/606423267.db2.gz KHZMSKMXKRUADP-UHFFFAOYSA-N -1 1 336.783 2.203 20 0 EEADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)OC1CCCCC1 ZINC000823014300 606423269 /nfs/dbraw/zinc/42/32/69/606423269.db2.gz KHZMSKMXKRUADP-UHFFFAOYSA-N -1 1 336.783 2.203 20 0 EEADMM Cn1cncc1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822704969 606463276 /nfs/dbraw/zinc/46/32/76/606463276.db2.gz TUXMVCPDWCXHCY-NSHDSACASA-N -1 1 344.810 2.380 20 0 EEADMM Cn1cncc1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822704969 606463278 /nfs/dbraw/zinc/46/32/78/606463278.db2.gz TUXMVCPDWCXHCY-NSHDSACASA-N -1 1 344.810 2.380 20 0 EEADMM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822940827 606530998 /nfs/dbraw/zinc/53/09/98/606530998.db2.gz GDKFFLPQEJZVNT-UHFFFAOYSA-N -1 1 327.392 2.135 20 0 EEADMM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822940827 606530999 /nfs/dbraw/zinc/53/09/99/606530999.db2.gz GDKFFLPQEJZVNT-UHFFFAOYSA-N -1 1 327.392 2.135 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000823484145 606542102 /nfs/dbraw/zinc/54/21/02/606542102.db2.gz SBUXKHXJRRUHAA-SECBINFHSA-N -1 1 329.389 2.019 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1Cc2ccccc2S1 ZINC000823436077 606650482 /nfs/dbraw/zinc/65/04/82/606650482.db2.gz GBLYHHLTOLWIHO-CQSZACIVSA-N -1 1 339.380 2.022 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1Cc2ccccc2S1 ZINC000823436077 606650483 /nfs/dbraw/zinc/65/04/83/606650483.db2.gz GBLYHHLTOLWIHO-CQSZACIVSA-N -1 1 339.380 2.022 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000822229287 606693069 /nfs/dbraw/zinc/69/30/69/606693069.db2.gz RDQJCBGYOVDZAP-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000822229287 606693070 /nfs/dbraw/zinc/69/30/70/606693070.db2.gz RDQJCBGYOVDZAP-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823797129 606728573 /nfs/dbraw/zinc/72/85/73/606728573.db2.gz LJESXPDMDXWWRL-SUHUHFCYSA-N -1 1 337.387 2.179 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823797129 606728575 /nfs/dbraw/zinc/72/85/75/606728575.db2.gz LJESXPDMDXWWRL-SUHUHFCYSA-N -1 1 337.387 2.179 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820054905 606748639 /nfs/dbraw/zinc/74/86/39/606748639.db2.gz DOILOENSSFNBNE-GFCCVEGCSA-N -1 1 333.392 2.146 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820054905 606748640 /nfs/dbraw/zinc/74/86/40/606748640.db2.gz DOILOENSSFNBNE-GFCCVEGCSA-N -1 1 333.392 2.146 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822427112 607108343 /nfs/dbraw/zinc/10/83/43/607108343.db2.gz CWDGMXRDKAYDAO-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822427112 607108345 /nfs/dbraw/zinc/10/83/45/607108345.db2.gz CWDGMXRDKAYDAO-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826337884 607826597 /nfs/dbraw/zinc/82/65/97/607826597.db2.gz DDWDOZTVOYAWHX-VIFPVBQESA-N -1 1 342.359 2.104 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826337884 607826598 /nfs/dbraw/zinc/82/65/98/607826598.db2.gz DDWDOZTVOYAWHX-VIFPVBQESA-N -1 1 342.359 2.104 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cccnc1Cl ZINC000826418363 607863886 /nfs/dbraw/zinc/86/38/86/607863886.db2.gz CHUUEIBGRNOLQA-UHFFFAOYSA-N -1 1 348.725 2.072 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cccnc1Cl ZINC000826418363 607863887 /nfs/dbraw/zinc/86/38/87/607863887.db2.gz CHUUEIBGRNOLQA-UHFFFAOYSA-N -1 1 348.725 2.072 20 0 EEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763807 607900359 /nfs/dbraw/zinc/90/03/59/607900359.db2.gz PITSHGRNPVDBLF-YDGUKXNOSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763807 607900360 /nfs/dbraw/zinc/90/03/60/607900360.db2.gz PITSHGRNPVDBLF-YDGUKXNOSA-N -1 1 342.428 2.197 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)c1ccccc1 ZINC000826451106 607929117 /nfs/dbraw/zinc/92/91/17/607929117.db2.gz QKJNFOKICDNMSG-UHFFFAOYSA-N -1 1 331.282 2.303 20 0 EEADMM CC(C)(C)c1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824136682 607988450 /nfs/dbraw/zinc/98/84/50/607988450.db2.gz UWQUZYCYSLXIJK-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824136682 607988451 /nfs/dbraw/zinc/98/84/51/607988451.db2.gz UWQUZYCYSLXIJK-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)Cc1ccc([C@H](C)C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824280593 608077704 /nfs/dbraw/zinc/07/77/04/608077704.db2.gz PSTUBRLHKZKSPS-NSHDSACASA-N -1 1 339.403 2.288 20 0 EEADMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824070947 608115791 /nfs/dbraw/zinc/11/57/91/608115791.db2.gz FAFKSOMDDKYHAR-BXKDBHETSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824070947 608115792 /nfs/dbraw/zinc/11/57/92/608115792.db2.gz FAFKSOMDDKYHAR-BXKDBHETSA-N -1 1 335.433 2.252 20 0 EEADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826507593 608176839 /nfs/dbraw/zinc/17/68/39/608176839.db2.gz RNENWZURGSEWPH-WPRPVWTQSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826507593 608176841 /nfs/dbraw/zinc/17/68/41/608176841.db2.gz RNENWZURGSEWPH-WPRPVWTQSA-N -1 1 334.792 2.047 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cnn1CC(C)C ZINC000826242413 608315296 /nfs/dbraw/zinc/31/52/96/608315296.db2.gz NRNWANKWIKXFQC-UHFFFAOYSA-N -1 1 331.405 2.341 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cnn1CC(C)C ZINC000826242413 608315297 /nfs/dbraw/zinc/31/52/97/608315297.db2.gz NRNWANKWIKXFQC-UHFFFAOYSA-N -1 1 331.405 2.341 20 0 EEADMM Cn1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)n1 ZINC000826362729 608350292 /nfs/dbraw/zinc/35/02/92/608350292.db2.gz GPFWZMNWCBDMNN-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)n1 ZINC000826362729 608350293 /nfs/dbraw/zinc/35/02/93/608350293.db2.gz GPFWZMNWCBDMNN-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cc1nc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC000826325021 608408593 /nfs/dbraw/zinc/40/85/93/608408593.db2.gz LPPBKKWGKFZVLQ-LLVKDONJSA-N -1 1 342.432 2.114 20 0 EEADMM Cc1nc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC000826325021 608408594 /nfs/dbraw/zinc/40/85/94/608408594.db2.gz LPPBKKWGKFZVLQ-LLVKDONJSA-N -1 1 342.432 2.114 20 0 EEADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824235111 609235252 /nfs/dbraw/zinc/23/52/52/609235252.db2.gz CBAMBODEMCNQGF-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824235111 609235254 /nfs/dbraw/zinc/23/52/54/609235254.db2.gz CBAMBODEMCNQGF-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000824216658 609415267 /nfs/dbraw/zinc/41/52/67/609415267.db2.gz UTLNGODBQULPKZ-ABAIWWIYSA-N -1 1 345.403 2.352 20 0 EEADMM COCCN(CCC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000890659883 675253167 /nfs/dbraw/zinc/25/31/67/675253167.db2.gz MGXNPWARFRKVRJ-UHFFFAOYSA-N -1 1 341.379 2.352 20 0 EEADMM CC(=O)N1CCC([C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001020857265 675543776 /nfs/dbraw/zinc/54/37/76/675543776.db2.gz JCMFCCRQLDNNBN-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(N[C@H](c1ccncc1)C1CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000890906160 675748651 /nfs/dbraw/zinc/74/86/51/675748651.db2.gz FRWLFQSRTHZDTC-AWEZNQCLSA-N -1 1 325.397 2.294 20 0 EEADMM CC1(CC(=O)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])CCCCC1 ZINC000949535700 676598591 /nfs/dbraw/zinc/59/85/91/676598591.db2.gz YNEIULKBLUZPBB-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1ccc(F)cc1C(=O)C(=O)[N-]c1nc2c(c(=O)[nH]1)CCCC2 ZINC000891617675 676725383 /nfs/dbraw/zinc/72/53/83/676725383.db2.gz HNSBHVTUAYJYRO-UHFFFAOYSA-N -1 1 329.331 2.330 20 0 EEADMM COc1cccc(OC)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891632231 676737050 /nfs/dbraw/zinc/73/70/50/676737050.db2.gz SKDBLDFTROGXLQ-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cncc(F)c1 ZINC000947232021 678583400 /nfs/dbraw/zinc/58/34/00/678583400.db2.gz RLGBGMGTIRUKNW-WFASDCNBSA-N -1 1 344.390 2.104 20 0 EEADMM Cc1cnc([C@H](C)N2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)o1 ZINC001023327797 679254852 /nfs/dbraw/zinc/25/48/52/679254852.db2.gz ILRDIUKGRDJONL-KBPBESRZSA-N -1 1 344.415 2.287 20 0 EEADMM CC(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000310415262 679914783 /nfs/dbraw/zinc/91/47/83/679914783.db2.gz XREXYEULGNRIMR-CWRNSKLLSA-N -1 1 333.432 2.058 20 0 EEADMM Cc1occc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937362089 681343247 /nfs/dbraw/zinc/34/32/47/681343247.db2.gz FRUJSANEQNEIJE-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM Cc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)no1 ZINC000066351248 681545177 /nfs/dbraw/zinc/54/51/77/681545177.db2.gz UQHZDWISFBZKME-UHFFFAOYSA-N -1 1 341.414 2.081 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)cs1 ZINC000982989436 681617644 /nfs/dbraw/zinc/61/76/44/681617644.db2.gz WEWZBBUFKMXHPN-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM Cc1ccc(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1C ZINC000007432401 681822689 /nfs/dbraw/zinc/82/26/89/681822689.db2.gz MOKJCXKTCZPKLQ-UHFFFAOYSA-N -1 1 325.364 2.346 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)N(C)C)c1 ZINC000327578273 681932155 /nfs/dbraw/zinc/93/21/55/681932155.db2.gz FVPLNNWCZJTIQM-VYDXJSESSA-N -1 1 348.443 2.305 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCC=CCC1 ZINC000982671820 681998543 /nfs/dbraw/zinc/99/85/43/681998543.db2.gz DPQQXUAKYMVSIQ-CQSZACIVSA-N -1 1 343.427 2.112 20 0 EEADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1sc(N)nc1[O-] ZINC000162354671 682010135 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Cc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ncn1 ZINC000870161506 1200525764 /nfs/dbraw/zinc/52/57/64/1200525764.db2.gz MAIVJWOQZNZAIW-UHFFFAOYSA-N -1 1 346.818 2.102 20 0 EEADMM CC(=O)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1 ZINC000812276104 1200610327 /nfs/dbraw/zinc/61/03/27/1200610327.db2.gz HWGUTSFYKZRJSQ-SNVBAGLBSA-N -1 1 346.305 2.013 20 0 EEADMM Cn1cccc1C(=O)CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879447290 1201071238 /nfs/dbraw/zinc/07/12/38/1201071238.db2.gz JDKOJYMMARBBOA-UHFFFAOYSA-N -1 1 347.846 2.385 20 0 EEADMM Cc1ccc(CNC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000866178955 1201456301 /nfs/dbraw/zinc/45/63/01/1201456301.db2.gz DBBUJGKNNNVZST-OAHLLOKOSA-N -1 1 343.349 2.348 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCc2c1cccc2Cl ZINC000866589266 1201555781 /nfs/dbraw/zinc/55/57/81/1201555781.db2.gz FPSFKXITPRUMQF-CYBMUJFWSA-N -1 1 348.877 2.424 20 0 EEADMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867449373 1201615814 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Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(C2CC2)n(C)n1 ZINC000885911289 1202454971 /nfs/dbraw/zinc/45/49/71/1202454971.db2.gz HIKTVKMCOCNMIJ-UHFFFAOYSA-N -1 1 329.404 2.155 20 0 EEADMM Cc1coc(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])[C@H]2C)c1 ZINC001015146792 1224816050 /nfs/dbraw/zinc/81/60/50/1224816050.db2.gz HVIJJPDCXOWQQP-STQMWFEESA-N -1 1 343.383 2.112 20 0 EEADMM CC(C)(CCNC(=O)[C@H](N)c1ccc(Br)cc1)C(=O)[O-] ZINC000887397832 1204296485 /nfs/dbraw/zinc/29/64/85/1204296485.db2.gz DLKWKZORQWKHHC-LLVKDONJSA-N -1 1 343.221 2.066 20 0 EEADMM O=C([N-]OCCOc1ccccc1)[C@@H]1CCCN1Cc1ccccn1 ZINC000889448026 1204628112 /nfs/dbraw/zinc/62/81/12/1204628112.db2.gz MXQZIFPJLLCVOV-SFHVURJKSA-N -1 1 341.411 2.173 20 0 EEADMM CN1CCC12CN(C(=O)c1ccccc1C(=O)c1ccc([O-])cc1)C2 ZINC001274920982 1205207272 /nfs/dbraw/zinc/20/72/72/1205207272.db2.gz WAWMORBMGNQVPU-UHFFFAOYSA-N -1 1 336.391 2.153 20 0 EEADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC12CC2 ZINC001275407397 1205344069 /nfs/dbraw/zinc/34/40/69/1205344069.db2.gz DPSDIYRPMYZPFF-YJYMSZOUSA-N -1 1 344.386 2.291 20 0 EEADMM NC(=O)NCc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001411699177 1205490997 /nfs/dbraw/zinc/49/09/97/1205490997.db2.gz WCNNBHOYQLGMDB-UHFFFAOYSA-N -1 1 333.775 2.395 20 0 EEADMM CC(C)NC(=O)N1CC2(C1)CCCN(C(=O)c1ccc([O-])cc1F)C2 ZINC001275975800 1205612857 /nfs/dbraw/zinc/61/28/57/1205612857.db2.gz YAVNZXCUDODXHK-UHFFFAOYSA-N -1 1 349.406 2.187 20 0 EEADMM Cc1cc(CN2CC3(C2)CN(Cc2cc(F)c([O-])c(F)c2)C3)n(C)n1 ZINC001276177663 1205817966 /nfs/dbraw/zinc/81/79/66/1205817966.db2.gz IYKFDOSNBSKTJN-UHFFFAOYSA-N -1 1 348.397 2.030 20 0 EEADMM CCN(C(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc([O-])cc(F)c1)C2)C(C)C ZINC001276183926 1205822777 /nfs/dbraw/zinc/82/27/77/1205822777.db2.gz XVVNMWZMAFLLPT-FZKQIMNGSA-N -1 1 334.391 2.250 20 0 EEADMM C[C@H](Oc1ccc(F)cc1)C(=O)N[N-]C(=O)c1cccnc1Cl ZINC000015384547 1224996675 /nfs/dbraw/zinc/99/66/75/1224996675.db2.gz AWBKDXZGXXLPAJ-VIFPVBQESA-N -1 1 337.738 2.103 20 0 EEADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932054684 1207525370 /nfs/dbraw/zinc/52/53/70/1207525370.db2.gz UGEPNQZTOZYSQZ-SJKOYZFVSA-N -1 1 330.388 2.251 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932059338 1207527229 /nfs/dbraw/zinc/52/72/29/1207527229.db2.gz MYIGIBVKRCWCBP-OCCSQVGLSA-N -1 1 332.404 2.497 20 0 EEADMM C[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H](O)C(F)(F)F ZINC000932062118 1207528002 /nfs/dbraw/zinc/52/80/02/1207528002.db2.gz VWPFTMTYFHKLLE-QPUJVOFHSA-N -1 1 344.293 2.011 20 0 EEADMM COC(=O)C[C@H](NC(=O)c1ncccc1[O-])c1cccc(Cl)c1 ZINC000778940444 1208410905 /nfs/dbraw/zinc/41/09/05/1208410905.db2.gz GUVLZPLPEWJUBR-LBPRGKRZSA-N -1 1 334.759 2.475 20 0 EEADMM COCc1cccc(CC(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000188191361 1208645264 /nfs/dbraw/zinc/64/52/64/1208645264.db2.gz KUKBWGHICGIBDS-UHFFFAOYSA-N -1 1 348.786 2.196 20 0 EEADMM O=C(CCNC(=O)Cc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000188345340 1208686428 /nfs/dbraw/zinc/68/64/28/1208686428.db2.gz NLBPVWWXWGKVLG-UHFFFAOYSA-N -1 1 333.775 2.128 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000947728881 1208688946 /nfs/dbraw/zinc/68/89/46/1208688946.db2.gz PWRWUMPTOILBSE-CQSZACIVSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1C(C)(C)C1(C)C ZINC000948618839 1209254863 /nfs/dbraw/zinc/25/48/63/1209254863.db2.gz LDJZHRIQWOHXTC-VXGBXAGGSA-N -1 1 345.443 2.046 20 0 EEADMM O=C(NCC1CCN(C(=O)C2CCCCC2)CC1)c1ncccc1[O-] ZINC000948697759 1209306818 /nfs/dbraw/zinc/30/68/18/1209306818.db2.gz NQNXWXTWPSSROM-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1ccc2ncc(C(=O)Nc3nc(Cl)ccc3[O-])c(=O)n2c1 ZINC000189852579 1209332678 /nfs/dbraw/zinc/33/26/78/1209332678.db2.gz BVEKILUAPMALPS-UHFFFAOYSA-N -1 1 330.731 2.009 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CC(C)C)c1[O-] ZINC000948909894 1209447484 /nfs/dbraw/zinc/44/74/84/1209447484.db2.gz DKFBVMRMFGYSBC-MRXNPFEDSA-N -1 1 342.443 2.409 20 0 EEADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nnnn1C1CC1 ZINC000190359989 1209829623 /nfs/dbraw/zinc/82/96/23/1209829623.db2.gz NBZQEGJEXAEYAF-ZETCQYMHSA-N -1 1 341.293 2.223 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(Cc2cccc(F)c2F)C1 ZINC000949948780 1209940644 /nfs/dbraw/zinc/94/06/44/1209940644.db2.gz ZWZZAPCBHZFZSM-UHFFFAOYSA-N -1 1 347.365 2.412 20 0 EEADMM CCCN(C(=O)c1nnc2ccccc2c1O)[C@@H](CC)C(=O)OCC ZINC000190928117 1210054359 /nfs/dbraw/zinc/05/43/59/1210054359.db2.gz FRPVTBPTNQTMEE-AWEZNQCLSA-N -1 1 345.399 2.117 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000950542962 1210268194 /nfs/dbraw/zinc/26/81/94/1210268194.db2.gz OFTPVBXQZGNMPG-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000079475611 1210593175 /nfs/dbraw/zinc/59/31/75/1210593175.db2.gz IKVKCXWWFJAFED-NEPJUHHUSA-N -1 1 337.832 2.350 20 0 EEADMM Nc1nc([O-])c(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000080034678 1210774405 /nfs/dbraw/zinc/77/44/05/1210774405.db2.gz LJCWZKXVDDTFTR-GXTWGEPZSA-N -1 1 335.404 2.130 20 0 EEADMM Cc1cccc([C@@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1C ZINC000080446596 1210913394 /nfs/dbraw/zinc/91/33/94/1210913394.db2.gz OIJPTEAROSWZRC-UONOGXRCSA-N -1 1 331.441 2.314 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000952003964 1211162454 /nfs/dbraw/zinc/16/24/54/1211162454.db2.gz IVQQVFIMMVKPMK-CYBMUJFWSA-N -1 1 349.406 2.180 20 0 EEADMM COC[C@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000194653996 1211253722 /nfs/dbraw/zinc/25/37/22/1211253722.db2.gz FZQFQQWIBFZHSV-GFCCVEGCSA-N -1 1 334.445 2.315 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)[C@@H](C)Sc1ccccn1 ZINC000084979049 1211586783 /nfs/dbraw/zinc/58/67/83/1211586783.db2.gz PNKMZIZJHMSPQZ-SNVBAGLBSA-N -1 1 337.474 2.195 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC([C@@H]2CCCN2C(=O)C2CC2)CC1 ZINC000953466676 1211829104 /nfs/dbraw/zinc/82/91/04/1211829104.db2.gz UGQHFGSIFATNPO-HNNXBMFYSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)C[C@@H]1C=CCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000953742359 1212025012 /nfs/dbraw/zinc/02/50/12/1212025012.db2.gz PRSAOFCUIAJPAU-CQSZACIVSA-N -1 1 343.427 2.207 20 0 EEADMM CCC(C)(C)C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC000953888489 1212189994 /nfs/dbraw/zinc/18/99/94/1212189994.db2.gz QZUHMFWXQIHAAS-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H]1CCCC[C@H]1CC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954657886 1212468927 /nfs/dbraw/zinc/46/89/27/1212468927.db2.gz GGZCIDOMOMOIKW-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@H]3C)cc2)cn1 ZINC000795325922 1212526312 /nfs/dbraw/zinc/52/63/12/1212526312.db2.gz XPRYYLCBABPALU-CQSZACIVSA-N -1 1 347.440 2.416 20 0 EEADMM Cc1cscc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001012510873 1225396776 /nfs/dbraw/zinc/39/67/76/1225396776.db2.gz MNMUHKUNVBGLEC-NEPJUHHUSA-N -1 1 345.424 2.190 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C(F)=C2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001012511486 1225397384 /nfs/dbraw/zinc/39/73/84/1225397384.db2.gz OFFYKFUMEZLNBR-WCQYABFASA-N -1 1 347.390 2.304 20 0 EEADMM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)co1 ZINC000955643665 1213231873 /nfs/dbraw/zinc/23/18/73/1213231873.db2.gz NMQSSOKXWVFZHM-FZMZJTMJSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)C2(C)CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955648192 1213234606 /nfs/dbraw/zinc/23/46/06/1213234606.db2.gz FCBAPCARNAQEDE-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)sc1C ZINC000719646397 1213477427 /nfs/dbraw/zinc/47/74/27/1213477427.db2.gz CRMHBWFSVBJHNM-UHFFFAOYSA-N -1 1 335.813 2.426 20 0 EEADMM Cc1ccoc1C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956343636 1213731539 /nfs/dbraw/zinc/73/15/39/1213731539.db2.gz NADDXWPVXLRJLG-UHFFFAOYSA-N -1 1 343.383 2.113 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)[n-]1 ZINC000796361467 1213880705 /nfs/dbraw/zinc/88/07/05/1213880705.db2.gz HXVZYVXSZHCKBW-UHFFFAOYSA-N -1 1 334.303 2.044 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)[n-]1 ZINC000796369134 1213897185 /nfs/dbraw/zinc/89/71/85/1213897185.db2.gz LGHMCMVHWLOGAK-LBPRGKRZSA-N -1 1 348.399 2.353 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)[n-]1 ZINC000796369418 1213901667 /nfs/dbraw/zinc/90/16/67/1213901667.db2.gz NPIJBHOWGXOWOD-QJPTWQEYSA-N -1 1 336.388 2.042 20 0 EEADMM CCC(=O)N1CCCC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000956525457 1214006047 /nfs/dbraw/zinc/00/60/47/1214006047.db2.gz ROUHVCQPFVVVBS-GOSISDBHSA-N -1 1 331.416 2.042 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC000959242212 1214385166 /nfs/dbraw/zinc/38/51/66/1214385166.db2.gz YTYXOIDTFMWFOA-STQMWFEESA-N -1 1 345.443 2.190 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000956851313 1214528135 /nfs/dbraw/zinc/52/81/35/1214528135.db2.gz YWWUJQLCZZGLAC-ZNZDAUKMSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1coc(C)c1C(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956878777 1214586381 /nfs/dbraw/zinc/58/63/81/1214586381.db2.gz JPFKZCPVSDNLFW-SFHVURJKSA-N -1 1 343.383 2.032 20 0 EEADMM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000796111122 1215306264 /nfs/dbraw/zinc/30/62/64/1215306264.db2.gz VNSQDUGYBZJBDX-POYBYMJQSA-N -1 1 327.258 2.418 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC(=O)c2cnn(C)c2)c1 ZINC000796146963 1215355748 /nfs/dbraw/zinc/35/57/48/1215355748.db2.gz IRONSHSKANRNOB-UHFFFAOYSA-N -1 1 344.367 2.077 20 0 EEADMM O=C(CC1CCC1)N1C[C@@H]2C[C@H]1C[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000957975526 1215517198 /nfs/dbraw/zinc/51/71/98/1215517198.db2.gz DRGXMZUOSHIAQN-KKUMJFAQSA-N -1 1 343.427 2.087 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000959681705 1216118317 /nfs/dbraw/zinc/11/83/17/1216118317.db2.gz ORKMGOWMKVVWRE-KBUPBQIOSA-N -1 1 345.443 2.046 20 0 EEADMM Cc1nc(CNC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])c(C)o1 ZINC000959969055 1216269240 /nfs/dbraw/zinc/26/92/40/1216269240.db2.gz RPXMPTFHZZKBHK-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM Cc1nc(CN(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])c(C)o1 ZINC000960572790 1216695967 /nfs/dbraw/zinc/69/59/67/1216695967.db2.gz FNXWHAZDGZUTSC-CQSZACIVSA-N -1 1 344.415 2.129 20 0 EEADMM Cc1cnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])s1 ZINC001017499885 1217367639 /nfs/dbraw/zinc/36/76/39/1217367639.db2.gz RMHUVMCUNXJJIQ-BETUJISGSA-N -1 1 344.440 2.041 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC000963545844 1217860364 /nfs/dbraw/zinc/86/03/64/1217860364.db2.gz MQBSFZAQXLVREL-HNNXBMFYSA-N -1 1 341.411 2.008 20 0 EEADMM CCC1(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC000964851798 1218674504 /nfs/dbraw/zinc/67/45/04/1218674504.db2.gz KQUQQCZSQBCQDA-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000965988957 1219424388 /nfs/dbraw/zinc/42/43/88/1219424388.db2.gz WVRRHJOIRZQVCY-ZIAGYGMSSA-N -1 1 333.432 2.144 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)c1ccco1 ZINC000966952732 1220146563 /nfs/dbraw/zinc/14/65/63/1220146563.db2.gz PSSLXPUZWYWHFX-AWEZNQCLSA-N -1 1 343.383 2.051 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C=C1CCC1 ZINC000967001003 1220186869 /nfs/dbraw/zinc/18/68/69/1220186869.db2.gz NUBDRIQTJJHXLW-HNNXBMFYSA-N -1 1 343.427 2.254 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2CC1 ZINC000967341537 1220434219 /nfs/dbraw/zinc/43/42/19/1220434219.db2.gz OYXYZVYNSXYGPT-VAKQXTAXSA-N -1 1 343.427 2.064 20 0 EEADMM CC(C)(C)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2CC1 ZINC000967381816 1220467518 /nfs/dbraw/zinc/46/75/18/1220467518.db2.gz SIWBZAKMVUNYKF-OKILXGFUSA-N -1 1 345.443 2.144 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000967541305 1220612799 /nfs/dbraw/zinc/61/27/99/1220612799.db2.gz MKMYDUVCVSAOJN-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC000967905742 1220907876 /nfs/dbraw/zinc/90/78/76/1220907876.db2.gz DAOLIDWIBBFEHA-YJYMSZOUSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000967906787 1220908852 /nfs/dbraw/zinc/90/88/52/1220908852.db2.gz IOPAIEYBRBLMGT-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CCCC(=O)N1CCC[C@@H](N(CC)C(=O)c2ncccc2[O-])CC1 ZINC001016055917 1226012734 /nfs/dbraw/zinc/01/27/34/1226012734.db2.gz MQMXBEJWGRXAOU-CQSZACIVSA-N -1 1 333.432 2.431 20 0 EEADMM O=C(N[C@H]1CCCN(C/C(Cl)=C/Cl)C1)c1ncccc1[O-] ZINC001007193082 1222125976 /nfs/dbraw/zinc/12/59/76/1222125976.db2.gz ZJXFLABDBPEGJS-BRNRAETOSA-N -1 1 330.215 2.300 20 0 EEADMM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)C1CCC1 ZINC001008275573 1222729688 /nfs/dbraw/zinc/72/96/88/1222729688.db2.gz YPWLTHBXMWGXNO-IUODEOHRSA-N -1 1 345.443 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)CC2CCCCC2)C1 ZINC001016432547 1226473207 /nfs/dbraw/zinc/47/32/07/1226473207.db2.gz ZAACMMALRJUWOM-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CCc1cc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)nc(C)n1 ZINC001067075423 1226483808 /nfs/dbraw/zinc/48/38/08/1226483808.db2.gz GFEVTJWRYJCLKF-FZMZJTMJSA-N -1 1 341.415 2.021 20 0 EEADMM CN(Cc1nccs1)C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001017110559 1227130688 /nfs/dbraw/zinc/13/06/88/1227130688.db2.gz DSXXFTLVSJPMSA-ZDUSSCGKSA-N -1 1 346.456 2.228 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001017185353 1227204707 /nfs/dbraw/zinc/20/47/07/1227204707.db2.gz NPQREDDGTNSQET-KBPBESRZSA-N -1 1 349.479 2.007 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001017185358 1227204779 /nfs/dbraw/zinc/20/47/79/1227204779.db2.gz NPQREDDGTNSQET-KGLIPLIRSA-N -1 1 349.479 2.007 20 0 EEADMM CC(C)(C)CC(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC001017400729 1227389866 /nfs/dbraw/zinc/38/98/66/1227389866.db2.gz UBCNCPFZOCZSSV-UHFFFAOYSA-N -1 1 331.416 2.112 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)C2CCCCC2)CN1C(=O)c1ncccc1[O-] ZINC001017951195 1227913805 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O=C(OCc1ncnn1CCF)c1ccc(Br)c([O-])c1 ZINC000801293015 1235367878 /nfs/dbraw/zinc/36/78/78/1235367878.db2.gz PMBFPTRQEYTZQC-UHFFFAOYSA-N -1 1 344.140 2.073 20 0 EEADMM CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325916 1235424935 /nfs/dbraw/zinc/42/49/35/1235424935.db2.gz KEDOFYMAXARTJR-GHMZBOCLSA-N -1 1 349.362 2.177 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCC(=O)CC3CC3)n2)cc1 ZINC000801366049 1235461775 /nfs/dbraw/zinc/46/17/75/1235461775.db2.gz OMKNHDBLYFLUAR-UHFFFAOYSA-N -1 1 330.340 2.113 20 0 EEADMM Cc1ccc(-n2cc([O-])c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)n2)cc1 ZINC000801371949 1235468483 /nfs/dbraw/zinc/46/84/83/1235468483.db2.gz PUHMUXHYYLZSJS-GFCCVEGCSA-N -1 1 345.399 2.346 20 0 EEADMM CCCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000801420165 1235551922 /nfs/dbraw/zinc/55/19/22/1235551922.db2.gz OGEHFVQCFYSXAN-LBPRGKRZSA-N -1 1 345.399 2.212 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC(=O)C(F)F)n1 ZINC000801426566 1235563804 /nfs/dbraw/zinc/56/38/04/1235563804.db2.gz AQLFTYHOIQXYKF-UHFFFAOYSA-N -1 1 328.246 2.016 20 0 EEADMM O=C(CCC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC001047410158 1235979225 /nfs/dbraw/zinc/97/92/25/1235979225.db2.gz GFPSVXQITVYLCS-ZNMIVQPWSA-N -1 1 343.427 2.087 20 0 EEADMM CCO[C@H](C)c1ncc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)s1 ZINC000801702386 1236052955 /nfs/dbraw/zinc/05/29/55/1236052955.db2.gz DHMVHUQNFAVXMG-SECBINFHSA-N -1 1 331.401 2.148 20 0 EEADMM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cncc(Cl)c2)CCOC1 ZINC000901718984 1236209835 /nfs/dbraw/zinc/20/98/35/1236209835.db2.gz AIWWHWZVOFGCTM-ZDUSSCGKSA-N -1 1 334.825 2.061 20 0 EEADMM CCc1cc(C(=O)OC)ccc1[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000901758231 1236271359 /nfs/dbraw/zinc/27/13/59/1236271359.db2.gz GQLWISZASQNGKM-CYBMUJFWSA-N -1 1 329.418 2.202 20 0 EEADMM Cc1c[nH]c(C[N-]S(=O)(=O)c2sccc2Cl)c(C)c1=O ZINC001413441605 1237435196 /nfs/dbraw/zinc/43/51/96/1237435196.db2.gz HIBUWTHOKLTILP-UHFFFAOYSA-N -1 1 332.834 2.185 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001000370043 1240218886 /nfs/dbraw/zinc/21/88/86/1240218886.db2.gz PETPAJOUFUTAGS-UKRRQHHQSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1cc(NC2CCC(N(C)C(=O)c3ncccc3[O-])CC2)ncn1 ZINC001067909281 1249944792 /nfs/dbraw/zinc/94/47/92/1249944792.db2.gz RFDPAXNSQBYLIR-UHFFFAOYSA-N -1 1 341.415 2.381 20 0 EEADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001543895 1242458107 /nfs/dbraw/zinc/45/81/07/1242458107.db2.gz JGNULNGVEHEGAT-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM CC1(CC(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])CC2(C)C)CC1 ZINC001073434075 1242463620 /nfs/dbraw/zinc/46/36/20/1242463620.db2.gz BBHUGHOAVRHDSP-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2OCCN1Cc1ccc2c(c1)OCCO2 ZINC000903926763 1242527509 /nfs/dbraw/zinc/52/75/09/1242527509.db2.gz GRLBTWVPTMAZIV-GOSISDBHSA-N -1 1 341.363 2.478 20 0 EEADMM CCc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057623656 1244469229 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CCc1c(C(=O)Nc2c(C)[n-][nH]c2=O)cnn1-c1ccc(OC)cc1 ZINC001298673255 1330110582 /nfs/dbraw/zinc/11/05/82/1330110582.db2.gz BIXXAHAOJDBUNL-UHFFFAOYSA-N -1 1 341.371 2.433 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc4c(c3)OCCO4)[nH]c21 ZINC001608524186 1351709587 /nfs/dbraw/zinc/70/95/87/1351709587.db2.gz IOYWNCVUOZNDJW-UHFFFAOYSA-N -1 1 339.307 2.285 20 0 EEADMM C[C@H](O)C[C@H]1CCCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589997419 1349099431 /nfs/dbraw/zinc/09/94/31/1349099431.db2.gz LZSMIFOMQJTCFQ-WDEREUQCSA-N -1 1 336.827 2.435 20 0 EEADMM C[C@H](O)C[C@H]1CCCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589997419 1349099434 /nfs/dbraw/zinc/09/94/34/1349099434.db2.gz LZSMIFOMQJTCFQ-WDEREUQCSA-N -1 1 336.827 2.435 20 0 EEADMM C[C@H](OC(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC001590009732 1349107248 /nfs/dbraw/zinc/10/72/48/1349107248.db2.gz ACSPWXMKOBQXTA-JTQLQIEISA-N -1 1 340.314 2.434 20 0 EEADMM C[C@H](OC(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC001590009732 1349107256 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Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(NC(N)=O)cc3)cc2o1 ZINC001320441949 1332885067 /nfs/dbraw/zinc/88/50/67/1332885067.db2.gz ZRZKXNYARRHZCD-UHFFFAOYSA-N -1 1 346.368 2.428 20 0 EEADMM CC(=O)c1c(C)nc(C)nc1SCc1nc(-c2nnn[n-]2)cs1 ZINC001609065324 1351828453 /nfs/dbraw/zinc/82/84/53/1351828453.db2.gz COVTUBZNZMUMTK-UHFFFAOYSA-N -1 1 347.429 2.225 20 0 EEADMM CC(=O)c1c(C)nc(C)nc1SCc1nc(-c2nn[n-]n2)cs1 ZINC001609065324 1351828456 /nfs/dbraw/zinc/82/84/56/1351828456.db2.gz COVTUBZNZMUMTK-UHFFFAOYSA-N -1 1 347.429 2.225 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609075520 1351831898 /nfs/dbraw/zinc/83/18/98/1351831898.db2.gz ZVKXCYMJCMOHLY-MFKMUULPSA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001609083208 1351834767 /nfs/dbraw/zinc/83/47/67/1351834767.db2.gz AKXQEUDFPRXEKK-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001609083208 1351834771 /nfs/dbraw/zinc/83/47/71/1351834771.db2.gz AKXQEUDFPRXEKK-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)c1ccccc1OCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609105523 1351844956 /nfs/dbraw/zinc/84/49/56/1351844956.db2.gz HRXYNUUYLOYXON-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccccc1OCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609105523 1351844962 /nfs/dbraw/zinc/84/49/62/1351844962.db2.gz HRXYNUUYLOYXON-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609141654 1351858589 /nfs/dbraw/zinc/85/85/89/1351858589.db2.gz WJCADUVQGNVQKV-SNVBAGLBSA-N -1 1 349.441 2.310 20 0 EEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609141654 1351858592 /nfs/dbraw/zinc/85/85/92/1351858592.db2.gz WJCADUVQGNVQKV-SNVBAGLBSA-N -1 1 349.441 2.310 20 0 EEADMM CC1(C)CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001609144745 1351860686 /nfs/dbraw/zinc/86/06/86/1351860686.db2.gz LSHMCVULDVGUMK-NSHDSACASA-N -1 1 325.372 2.139 20 0 EEADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)c2nccn21 ZINC001609156950 1351867059 /nfs/dbraw/zinc/86/70/59/1351867059.db2.gz GGAFPQVKWLRNBN-BXKDBHETSA-N -1 1 333.359 2.124 20 0 EEADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)c2nccn21 ZINC001609156950 1351867064 /nfs/dbraw/zinc/86/70/64/1351867064.db2.gz GGAFPQVKWLRNBN-BXKDBHETSA-N -1 1 333.359 2.124 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cnc(Cl)cc1Cl ZINC001324860324 1333775573 /nfs/dbraw/zinc/77/55/73/1333775573.db2.gz UCHFDTRFBAVDET-RKDXNWHRSA-N -1 1 339.244 2.218 20 0 EEADMM CCOC(=O)c1cnn(CC[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609235854 1351904310 /nfs/dbraw/zinc/90/43/10/1351904310.db2.gz CWVVSSMGJZSLMK-RYUDHWBXSA-N -1 1 332.408 2.456 20 0 EEADMM CN(CC1CCOCC1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609273755 1351917510 /nfs/dbraw/zinc/91/75/10/1351917510.db2.gz ALWNCABYFBRIKQ-UHFFFAOYSA-N -1 1 342.325 2.143 20 0 EEADMM CN(CC1CCOCC1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609273755 1351917513 /nfs/dbraw/zinc/91/75/13/1351917513.db2.gz ALWNCABYFBRIKQ-UHFFFAOYSA-N -1 1 342.325 2.143 20 0 EEADMM COc1cc(CNc2cncc(-c3nnn[n-]3)n2)ccc1OC(C)C ZINC001609345612 1351940182 /nfs/dbraw/zinc/94/01/82/1351940182.db2.gz PYSDNYXUGJNRBH-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1cc(CNc2cncc(-c3nn[n-]n3)n2)ccc1OC(C)C ZINC001609345612 1351940183 /nfs/dbraw/zinc/94/01/83/1351940183.db2.gz PYSDNYXUGJNRBH-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC001609391221 1351957017 /nfs/dbraw/zinc/95/70/17/1351957017.db2.gz ABCMMTMRCZJHKI-UHFFFAOYSA-N -1 1 337.362 2.398 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC001609391221 1351957019 /nfs/dbraw/zinc/95/70/19/1351957019.db2.gz ABCMMTMRCZJHKI-UHFFFAOYSA-N -1 1 337.362 2.398 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609391932 1351957848 /nfs/dbraw/zinc/95/78/48/1351957848.db2.gz ASJXLLOALHEGGD-UHFFFAOYSA-N -1 1 349.402 2.125 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609391932 1351957851 /nfs/dbraw/zinc/95/78/51/1351957851.db2.gz ASJXLLOALHEGGD-UHFFFAOYSA-N -1 1 349.402 2.125 20 0 EEADMM Cc1ccc(CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C2CC2)o1 ZINC001609423116 1351970756 /nfs/dbraw/zinc/97/07/56/1351970756.db2.gz WTJGGJRECRTYFF-UHFFFAOYSA-N -1 1 339.359 2.360 20 0 EEADMM Cc1ccc(CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C2CC2)o1 ZINC001609423116 1351970757 /nfs/dbraw/zinc/97/07/57/1351970757.db2.gz WTJGGJRECRTYFF-UHFFFAOYSA-N -1 1 339.359 2.360 20 0 EEADMM Cc1nc(CCNc2snc(Cl)c2-c2nnn[n-]2)cs1 ZINC001609449714 1351982443 /nfs/dbraw/zinc/98/24/43/1351982443.db2.gz ICKOFMSJTKYNIC-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nc(CCNc2snc(Cl)c2-c2nn[n-]n2)cs1 ZINC001609449714 1351982445 /nfs/dbraw/zinc/98/24/45/1351982445.db2.gz ICKOFMSJTKYNIC-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nsc(N2CCN(c3cccs3)CC2)c1-c1nn[n-]n1 ZINC001609464629 1351986801 /nfs/dbraw/zinc/98/68/01/1351986801.db2.gz AWZFOYHDEICQID-UHFFFAOYSA-N -1 1 333.446 2.020 20 0 EEADMM FC(F)Cn1cc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cn1 ZINC001609486190 1351994764 /nfs/dbraw/zinc/99/47/64/1351994764.db2.gz JNENVRGRNWOJMC-UHFFFAOYSA-N -1 1 332.727 2.182 20 0 EEADMM FC(F)Cn1cc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001609486190 1351994767 /nfs/dbraw/zinc/99/47/67/1351994767.db2.gz JNENVRGRNWOJMC-UHFFFAOYSA-N -1 1 332.727 2.182 20 0 EEADMM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001609570158 1352019614 /nfs/dbraw/zinc/01/96/14/1352019614.db2.gz SISQIJPBAQYZOA-UHFFFAOYSA-N -1 1 346.372 2.063 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](NCc1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001609807710 1352089924 /nfs/dbraw/zinc/08/99/24/1352089924.db2.gz NXRXEGQHLZOHIA-BDJLRTHQSA-N -1 1 330.359 2.271 20 0 EEADMM CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C(C)(C)C ZINC001609957343 1352130062 /nfs/dbraw/zinc/13/00/62/1352130062.db2.gz ZBBBUWBZJWNADX-UONOGXRCSA-N -1 1 327.469 2.392 20 0 EEADMM Cc1cccc(N(C)c2nnc(Cc3nnn[n-]3)n2CC2CC2)c1C ZINC001346849536 1337494203 /nfs/dbraw/zinc/49/42/03/1337494203.db2.gz HFFDPUCRHBLTBM-UHFFFAOYSA-N -1 1 338.419 2.177 20 0 EEADMM Cc1cccc(N(C)c2nnc(Cc3nn[n-]n3)n2CC2CC2)c1C ZINC001346849536 1337494205 /nfs/dbraw/zinc/49/42/05/1337494205.db2.gz HFFDPUCRHBLTBM-UHFFFAOYSA-N -1 1 338.419 2.177 20 0 EEADMM CCO[C@@H]1C[C@](NCc2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC001610030392 1352145579 /nfs/dbraw/zinc/14/55/79/1352145579.db2.gz KDDWKVYWOORUFB-BZNIZROVSA-N -1 1 341.429 2.283 20 0 EEADMM CCOc1cc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)ccc1C ZINC001610041334 1352148237 /nfs/dbraw/zinc/14/82/37/1352148237.db2.gz SPUJHRYWHDXQEG-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM CCc1nc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001610071257 1352155331 /nfs/dbraw/zinc/15/53/31/1352155331.db2.gz ANXUBGCIQMOHIZ-AWEZNQCLSA-N -1 1 345.403 2.018 20 0 EEADMM COC(=Cc1ccccc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847079514 1337862530 /nfs/dbraw/zinc/86/25/30/1337862530.db2.gz LTOMAZZRUZVHPT-PCRWRXJSSA-N -1 1 329.356 2.169 20 0 EEADMM O=C(CCC[C@@H](O)c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847092665 1337865295 /nfs/dbraw/zinc/86/52/95/1337865295.db2.gz ULPYLFBMMZTOSH-HUUCEWRRSA-N -1 1 345.399 2.385 20 0 EEADMM CN(Cc1oncc1C(=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001610126206 1352167576 /nfs/dbraw/zinc/16/75/76/1352167576.db2.gz OENMKKLCQAKKJP-LBPRGKRZSA-N -1 1 339.392 2.108 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1ccnc(C2CCCC2)n1 ZINC001100071060 1337978724 /nfs/dbraw/zinc/97/87/24/1337978724.db2.gz QPHSIAUXMTYBAU-UHFFFAOYSA-N -1 1 341.415 2.101 20 0 EEADMM O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352587000 1337989412 /nfs/dbraw/zinc/98/94/12/1337989412.db2.gz VUQKYAYULLKWQB-NSHDSACASA-N -1 1 325.328 2.215 20 0 EEADMM O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596467 1337993459 /nfs/dbraw/zinc/99/34/59/1337993459.db2.gz OWYKVVHGLNCRJS-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM COC(=O)c1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)oc1C ZINC001610197155 1352183183 /nfs/dbraw/zinc/18/31/83/1352183183.db2.gz OAIJANMSDBJQRT-CYBMUJFWSA-N -1 1 335.278 2.214 20 0 EEADMM COC(=O)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001610211165 1352186685 /nfs/dbraw/zinc/18/66/85/1352186685.db2.gz YPSSFBYLANFUGF-GOSISDBHSA-N -1 1 328.368 2.348 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@H](c2ccncc2)C1 ZINC000848099428 1338506389 /nfs/dbraw/zinc/50/63/89/1338506389.db2.gz QIXLSTWJTCVCJG-GFCCVEGCSA-N -1 1 325.397 2.043 20 0 EEADMM COc1cccc(OCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610359414 1352210565 /nfs/dbraw/zinc/21/05/65/1352210565.db2.gz ZKQOLZHMHBKLJZ-UHFFFAOYSA-N -1 1 341.323 2.287 20 0 EEADMM Cc1sc(NC(=O)CN(C)C[C@@H]2CCC[C@@H]2O)c(C(=O)[O-])c1C ZINC001610590407 1352250233 /nfs/dbraw/zinc/25/02/33/1352250233.db2.gz BRLMPUYHXCTUQT-RYUDHWBXSA-N -1 1 340.445 2.094 20 0 EEADMM Cc1sc(NC(=O)CN2CCN(C)[C@@H](C)[C@@H]2C)c(C(=O)[O-])c1C ZINC001610592119 1352250552 /nfs/dbraw/zinc/25/05/52/1352250552.db2.gz RUWONVBWVDBDJX-QWRGUYRKSA-N -1 1 339.461 2.026 20 0 EEADMM CCC1(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001428474720 1339529713 /nfs/dbraw/zinc/52/97/13/1339529713.db2.gz ZPFRWOCDHAOKQV-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM CCc1occc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428566384 1339572433 /nfs/dbraw/zinc/57/24/33/1339572433.db2.gz HYTHWOGFWWILFH-VXGBXAGGSA-N -1 1 345.399 2.270 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)o1 ZINC001610821714 1352280425 /nfs/dbraw/zinc/28/04/25/1352280425.db2.gz PNJHCPWLLVCDTG-LBPRGKRZSA-N -1 1 334.759 2.418 20 0 EEADMM O=C([O-])c1cncc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC001610864240 1352287486 /nfs/dbraw/zinc/28/74/86/1352287486.db2.gz MMOZOGYMPMDVFU-UHFFFAOYSA-N -1 1 346.364 2.100 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(C)s1)NC(=O)c1ncccc1[O-] ZINC001430509571 1340241515 /nfs/dbraw/zinc/24/15/15/1340241515.db2.gz KZYIXCWXFARESE-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001615748372 1352325153 /nfs/dbraw/zinc/32/51/53/1352325153.db2.gz CZCYQPLYOXEZFD-UHFFFAOYSA-N -1 1 335.323 2.467 20 0 EEADMM CCCC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001431126877 1340464911 /nfs/dbraw/zinc/46/49/11/1340464911.db2.gz SHEGPEMXLSECAB-CQSZACIVSA-N -1 1 333.432 2.382 20 0 EEADMM CN(CCNC(=O)c1ccsc1Cl)C(=O)c1ncccc1[O-] ZINC001431250484 1340518913 /nfs/dbraw/zinc/51/89/13/1340518913.db2.gz VMOCDKKTCIRZFF-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(CF)cc1 ZINC001617136479 1352336847 /nfs/dbraw/zinc/33/68/47/1352336847.db2.gz GWGKZHHJEQXLRH-UHFFFAOYSA-N -1 1 328.347 2.451 20 0 EEADMM CCCC[C@@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001432222372 1341239748 /nfs/dbraw/zinc/23/97/48/1341239748.db2.gz TVPHSTLPFTUWLB-CQSZACIVSA-N -1 1 333.432 2.190 20 0 EEADMM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001556827549 1342435224 /nfs/dbraw/zinc/43/52/24/1342435224.db2.gz OORLQPOUGNZTAI-UHFFFAOYSA-N -1 1 327.344 2.260 20 0 EEADMM CC[C@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577126630 1344092387 /nfs/dbraw/zinc/09/23/87/1344092387.db2.gz OQUKFDHMDOJUMP-MFKMUULPSA-N -1 1 342.407 2.033 20 0 EEADMM CC[C@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577126630 1344092393 /nfs/dbraw/zinc/09/23/93/1344092393.db2.gz OQUKFDHMDOJUMP-MFKMUULPSA-N -1 1 342.407 2.033 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577392237 1344139578 /nfs/dbraw/zinc/13/95/78/1344139578.db2.gz GZOUWGPWYLDFLM-YPMHNXCESA-N -1 1 344.419 2.364 20 0 EEADMM CCCCC(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577424957 1344147018 /nfs/dbraw/zinc/14/70/18/1344147018.db2.gz MKZNLRLEGXRNPA-XYPYZODXSA-N -1 1 349.464 2.129 20 0 EEADMM CCc1onc(C)c1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001578728743 1344297621 /nfs/dbraw/zinc/29/76/21/1344297621.db2.gz DERVLQUZILKCGB-UHFFFAOYSA-N -1 1 334.286 2.256 20 0 EEADMM CCc1onc(C)c1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001578728743 1344297623 /nfs/dbraw/zinc/29/76/23/1344297623.db2.gz DERVLQUZILKCGB-UHFFFAOYSA-N -1 1 334.286 2.256 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579253277 1344358435 /nfs/dbraw/zinc/35/84/35/1344358435.db2.gz KUUSNGBDGUKRPY-UHFFFAOYSA-N -1 1 345.313 2.204 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579253277 1344358439 /nfs/dbraw/zinc/35/84/39/1344358439.db2.gz KUUSNGBDGUKRPY-UHFFFAOYSA-N -1 1 345.313 2.204 20 0 EEADMM COC(=O)c1cc(Cl)ccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579478827 1344387135 /nfs/dbraw/zinc/38/71/35/1344387135.db2.gz WNXDCKYMQWBCKQ-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1cc(Cl)ccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579478827 1344387141 /nfs/dbraw/zinc/38/71/41/1344387141.db2.gz WNXDCKYMQWBCKQ-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COc1c(Cl)cccc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001579875297 1344424011 /nfs/dbraw/zinc/42/40/11/1344424011.db2.gz WWUVLGIEBLGWBU-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1c(Cl)cccc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001579875297 1344424013 /nfs/dbraw/zinc/42/40/13/1344424013.db2.gz WWUVLGIEBLGWBU-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1ccccc1CCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580084004 1344468757 /nfs/dbraw/zinc/46/87/57/1344468757.db2.gz YOYFRIXGNDFFIM-UHFFFAOYSA-N -1 1 343.412 2.186 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CCC=CCCC2)cc1-c1nn[n-]n1 ZINC001580133285 1344477837 /nfs/dbraw/zinc/47/78/37/1344477837.db2.gz JURYZKBQKANTAK-LLVKDONJSA-N -1 1 328.376 2.345 20 0 EEADMM CS(C)(=O)=Nc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001580172705 1344484997 /nfs/dbraw/zinc/48/49/97/1344484997.db2.gz JQMNFLPDDPFTDE-UHFFFAOYSA-N -1 1 349.445 2.294 20 0 EEADMM CS(C)(=O)=Nc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001580172705 1344485001 /nfs/dbraw/zinc/48/50/01/1344485001.db2.gz JQMNFLPDDPFTDE-UHFFFAOYSA-N -1 1 349.445 2.294 20 0 EEADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580456565 1344523188 /nfs/dbraw/zinc/52/31/88/1344523188.db2.gz GLFSJOURVLABRH-IINYFYTJSA-N -1 1 335.371 2.112 20 0 EEADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580456565 1344523191 /nfs/dbraw/zinc/52/31/91/1344523191.db2.gz GLFSJOURVLABRH-IINYFYTJSA-N -1 1 335.371 2.112 20 0 EEADMM Cc1ccc(OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc12 ZINC001581209323 1344596785 /nfs/dbraw/zinc/59/67/85/1344596785.db2.gz BSHCTTXGHQDMMI-NSHDSACASA-N -1 1 349.354 2.086 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581624886 1344646981 /nfs/dbraw/zinc/64/69/81/1344646981.db2.gz QKYUWKNSLYJZCL-UHFFFAOYSA-N -1 1 340.315 2.092 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(c2ccc(F)cc2)C1 ZINC001582744793 1344788390 /nfs/dbraw/zinc/78/83/90/1344788390.db2.gz HYOQONYXCIEGRY-UHFFFAOYSA-N -1 1 329.360 2.307 20 0 EEADMM CC(C)(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001589052650 1348954980 /nfs/dbraw/zinc/95/49/80/1348954980.db2.gz JGJQNVBWRIZTLA-UHFFFAOYSA-N -1 1 328.420 2.484 20 0 EEADMM CC(C)(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001589052650 1348954984 /nfs/dbraw/zinc/95/49/84/1348954984.db2.gz JGJQNVBWRIZTLA-UHFFFAOYSA-N -1 1 328.420 2.484 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001589104210 1348959535 /nfs/dbraw/zinc/95/95/35/1348959535.db2.gz BFFUBNHBURTFHA-HTQZYQBOSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001589104210 1348959538 /nfs/dbraw/zinc/95/95/38/1348959538.db2.gz BFFUBNHBURTFHA-HTQZYQBOSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001589221483 1348971961 /nfs/dbraw/zinc/97/19/61/1348971961.db2.gz BYENMXDBODVRSD-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001589221483 1348971966 /nfs/dbraw/zinc/97/19/66/1348971966.db2.gz BYENMXDBODVRSD-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589520877 1348999957 /nfs/dbraw/zinc/99/99/57/1348999957.db2.gz KBILGDODGGVFBI-DOMZBBRYSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589520877 1348999958 /nfs/dbraw/zinc/99/99/58/1348999958.db2.gz KBILGDODGGVFBI-DOMZBBRYSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)CCCn1cc(-c2nnn[n-]2)c(I)n1 ZINC001589600885 1349008250 /nfs/dbraw/zinc/00/82/50/1349008250.db2.gz ZXMAPBZLDACYBA-UHFFFAOYSA-N -1 1 346.176 2.104 20 0 EEADMM CC(C)CCCn1cc(-c2nn[n-]n2)c(I)n1 ZINC001589600885 1349008254 /nfs/dbraw/zinc/00/82/54/1349008254.db2.gz ZXMAPBZLDACYBA-UHFFFAOYSA-N -1 1 346.176 2.104 20 0 EEADMM CC(C)OCCCC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589749299 1349028932 /nfs/dbraw/zinc/02/89/32/1349028932.db2.gz ZVMMYDGHOAYFQG-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM C[C@@H](CO)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC001589886803 1349055454 /nfs/dbraw/zinc/05/54/54/1349055454.db2.gz LCSMDCJKPSNKJS-LBPRGKRZSA-N -1 1 338.415 2.260 20 0 EEADMM C[C@@H](CO)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC001589886803 1349055457 /nfs/dbraw/zinc/05/54/57/1349055457.db2.gz LCSMDCJKPSNKJS-LBPRGKRZSA-N -1 1 338.415 2.260 20 0 EEADMM C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccns1 ZINC001589938132 1349069934 /nfs/dbraw/zinc/06/99/34/1349069934.db2.gz SVTJVAMIIBXKMD-MRVPVSSYSA-N -1 1 339.384 2.296 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1-n1cccn1 ZINC001589982395 1349092278 /nfs/dbraw/zinc/09/22/78/1349092278.db2.gz XBOMOXAAQAHTFW-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1-n1cccn1 ZINC001589982395 1349092285 /nfs/dbraw/zinc/09/22/85/1349092285.db2.gz XBOMOXAAQAHTFW-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@]1(O)CCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CC1 ZINC001590150813 1349176031 /nfs/dbraw/zinc/17/60/31/1349176031.db2.gz POUIYCWODBRJPJ-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@]1(O)CCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CC1 ZINC001590150813 1349176036 /nfs/dbraw/zinc/17/60/36/1349176036.db2.gz POUIYCWODBRJPJ-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@H]1CC(=O)N(C)c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001590180448 1349184532 /nfs/dbraw/zinc/18/45/32/1349184532.db2.gz GHENVPUDSDQPKN-SNVBAGLBSA-N -1 1 335.371 2.475 20 0 EEADMM C[C@@H]1CC(=O)N(C)c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001590180448 1349184539 /nfs/dbraw/zinc/18/45/39/1349184539.db2.gz GHENVPUDSDQPKN-SNVBAGLBSA-N -1 1 335.371 2.475 20 0 EEADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186235 1349186666 /nfs/dbraw/zinc/18/66/66/1349186666.db2.gz AZSJXVYLZFGPRT-MYJAWHEDSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CCC[C@H](CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590240564 1349219289 /nfs/dbraw/zinc/21/92/89/1349219289.db2.gz FIKDRCKXNCPIID-QWHCGFSZSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CCC[C@H](CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590240564 1349219304 /nfs/dbraw/zinc/21/93/04/1349219304.db2.gz FIKDRCKXNCPIID-QWHCGFSZSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC001590275423 1349245291 /nfs/dbraw/zinc/24/52/91/1349245291.db2.gz YVGQZXLPQCPZPL-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@H]21 ZINC001590293081 1349248266 /nfs/dbraw/zinc/24/82/66/1349248266.db2.gz BPYSXNGNHWAOSO-NTZNESFSSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]21 ZINC001590293081 1349248271 /nfs/dbraw/zinc/24/82/71/1349248271.db2.gz BPYSXNGNHWAOSO-NTZNESFSSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1Cc2cc(CNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)ccc2O1 ZINC001590330185 1349268400 /nfs/dbraw/zinc/26/84/00/1349268400.db2.gz VDBFSOIFQVHBCG-SNVBAGLBSA-N -1 1 349.398 2.470 20 0 EEADMM C[C@@H]1Cc2cc(CNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)ccc2O1 ZINC001590330185 1349268404 /nfs/dbraw/zinc/26/84/04/1349268404.db2.gz VDBFSOIFQVHBCG-SNVBAGLBSA-N -1 1 349.398 2.470 20 0 EEADMM C[C@@H]1COc2ccccc2CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590328454 1349268773 /nfs/dbraw/zinc/26/87/73/1349268773.db2.gz GUXCBPLZPBQWKF-SNVBAGLBSA-N -1 1 328.401 2.106 20 0 EEADMM C[C@@H]1COc2ccccc2CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590328454 1349268778 /nfs/dbraw/zinc/26/87/78/1349268778.db2.gz GUXCBPLZPBQWKF-SNVBAGLBSA-N -1 1 328.401 2.106 20 0 EEADMM CC/C(C)=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001590389212 1349299328 /nfs/dbraw/zinc/29/93/28/1349299328.db2.gz PNCWPFSHEYCJLC-KTKRTIGZSA-N -1 1 341.350 2.486 20 0 EEADMM CC[C@H]1C[C@@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590502692 1349357412 /nfs/dbraw/zinc/35/74/12/1349357412.db2.gz CUVPYCVKGSMQDF-BQBZGAKWSA-N -1 1 342.812 2.120 20 0 EEADMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590526083 1349363228 /nfs/dbraw/zinc/36/32/28/1349363228.db2.gz LOYFLSKXEMNFJB-CQSZACIVSA-N -1 1 334.383 2.239 20 0 EEADMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590526083 1349363231 /nfs/dbraw/zinc/36/32/31/1349363231.db2.gz LOYFLSKXEMNFJB-CQSZACIVSA-N -1 1 334.383 2.239 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1F ZINC001590868165 1349406887 /nfs/dbraw/zinc/40/68/87/1349406887.db2.gz ULJSRCMFYUJFJZ-LBPRGKRZSA-N -1 1 344.354 2.012 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1F ZINC001590868165 1349406890 /nfs/dbraw/zinc/40/68/90/1349406890.db2.gz ULJSRCMFYUJFJZ-LBPRGKRZSA-N -1 1 344.354 2.012 20 0 EEADMM CCc1nc(Nc2cc(OC)c(C)c(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590923413 1349414566 /nfs/dbraw/zinc/41/45/66/1349414566.db2.gz CCLDURMMBDSUMU-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM CCc1nc(Nc2cc(OC)c(C)c(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590923413 1349414570 /nfs/dbraw/zinc/41/45/70/1349414570.db2.gz CCLDURMMBDSUMU-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM COc1cc(Cl)ccc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591539976 1349502401 /nfs/dbraw/zinc/50/24/01/1349502401.db2.gz KIIHFEPMPMTEMA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(Cl)ccc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591539976 1349502410 /nfs/dbraw/zinc/50/24/10/1349502410.db2.gz KIIHFEPMPMTEMA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM Cc1cc(C)n2c(nnc2SCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001591957227 1349567909 /nfs/dbraw/zinc/56/79/09/1349567909.db2.gz RVSAGQRYHCVMOS-UHFFFAOYSA-N -1 1 344.429 2.275 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC001592498672 1349637265 /nfs/dbraw/zinc/63/72/65/1349637265.db2.gz CRUYKKXDAJLBCC-GZMMTYOYSA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)C[C@@H](O)c1cccs1 ZINC001592498672 1349637266 /nfs/dbraw/zinc/63/72/66/1349637266.db2.gz CRUYKKXDAJLBCC-GZMMTYOYSA-N -1 1 347.400 2.072 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001592528008 1349647883 /nfs/dbraw/zinc/64/78/83/1349647883.db2.gz PIZJYQMYPYDIED-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001592528008 1349647884 /nfs/dbraw/zinc/64/78/84/1349647884.db2.gz PIZJYQMYPYDIED-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC[C@@H]2CCc3ccccc32)n1 ZINC001592559034 1349657662 /nfs/dbraw/zinc/65/76/62/1349657662.db2.gz UEQGDWZKVFNKQD-LBPRGKRZSA-N -1 1 337.387 2.049 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC[C@@H]2CCc3ccccc32)n1 ZINC001592559034 1349657664 /nfs/dbraw/zinc/65/76/64/1349657664.db2.gz UEQGDWZKVFNKQD-LBPRGKRZSA-N -1 1 337.387 2.049 20 0 EEADMM Cn1cnnc1-c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001592591495 1349663920 /nfs/dbraw/zinc/66/39/20/1349663920.db2.gz TYOXIEBYBGHGHP-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592614010 1349670544 /nfs/dbraw/zinc/67/05/44/1349670544.db2.gz QNNWNSUUGZIUJQ-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592614010 1349670548 /nfs/dbraw/zinc/67/05/48/1349670548.db2.gz QNNWNSUUGZIUJQ-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592613736 1349670909 /nfs/dbraw/zinc/67/09/09/1349670909.db2.gz JYRHXDYSNVDXNC-ZJUUUORDSA-N -1 1 326.326 2.464 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592613736 1349670911 /nfs/dbraw/zinc/67/09/11/1349670911.db2.gz JYRHXDYSNVDXNC-ZJUUUORDSA-N -1 1 326.326 2.464 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1F ZINC001592647324 1349692591 /nfs/dbraw/zinc/69/25/91/1349692591.db2.gz PKGGWWURMMUXMS-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1F ZINC001592647324 1349692598 /nfs/dbraw/zinc/69/25/98/1349692598.db2.gz PKGGWWURMMUXMS-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001592659226 1349703175 /nfs/dbraw/zinc/70/31/75/1349703175.db2.gz YIHXYJGAXKPNIE-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001592659226 1349703183 /nfs/dbraw/zinc/70/31/83/1349703183.db2.gz YIHXYJGAXKPNIE-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001592965694 1349730489 /nfs/dbraw/zinc/73/04/89/1349730489.db2.gz KFJFGMWUDXCEHG-SWLSCSKDSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001592965694 1349730493 /nfs/dbraw/zinc/73/04/93/1349730493.db2.gz KFJFGMWUDXCEHG-SWLSCSKDSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592978260 1349731486 /nfs/dbraw/zinc/73/14/86/1349731486.db2.gz MMEYNDWZRSDSQO-GJZGRUSLSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592978260 1349731487 /nfs/dbraw/zinc/73/14/87/1349731487.db2.gz MMEYNDWZRSDSQO-GJZGRUSLSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593136409 1349739667 /nfs/dbraw/zinc/73/96/67/1349739667.db2.gz CTTIGDMAEOIHAT-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593136409 1349739677 /nfs/dbraw/zinc/73/96/77/1349739677.db2.gz CTTIGDMAEOIHAT-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CC1(Cl)Cl ZINC001593263566 1349754897 /nfs/dbraw/zinc/75/48/97/1349754897.db2.gz URVONCFBLQCLSA-UWTATZPHSA-N -1 1 339.595 2.109 20 0 EEADMM O=C([O-])C[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593277461 1349759816 /nfs/dbraw/zinc/75/98/16/1349759816.db2.gz ZLMQNAIXKCUNHT-GFCCVEGCSA-N -1 1 335.433 2.299 20 0 EEADMM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593280891 1349760488 /nfs/dbraw/zinc/76/04/88/1349760488.db2.gz DIMCMIQDFPAPPG-SNVBAGLBSA-N -1 1 339.233 2.315 20 0 EEADMM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593280891 1349760494 /nfs/dbraw/zinc/76/04/94/1349760494.db2.gz DIMCMIQDFPAPPG-SNVBAGLBSA-N -1 1 339.233 2.315 20 0 EEADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1ccc(-c2nnn[n-]2)s1 ZINC001593285036 1349762687 /nfs/dbraw/zinc/76/26/87/1349762687.db2.gz QSPXSCJUZMOWAN-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1ccc(-c2nn[n-]n2)s1 ZINC001593285036 1349762693 /nfs/dbraw/zinc/76/26/93/1349762693.db2.gz QSPXSCJUZMOWAN-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593288874 1349765366 /nfs/dbraw/zinc/76/53/66/1349765366.db2.gz PANITUFFMAFGAZ-UHFFFAOYSA-N -1 1 334.719 2.349 20 0 EEADMM O=C(OCCOCC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593291039 1349767186 /nfs/dbraw/zinc/76/71/86/1349767186.db2.gz ZVTBNVLZEJKATO-UHFFFAOYSA-N -1 1 334.351 2.369 20 0 EEADMM O=C(OCCOCC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593291039 1349767189 /nfs/dbraw/zinc/76/71/89/1349767189.db2.gz ZVTBNVLZEJKATO-UHFFFAOYSA-N -1 1 334.351 2.369 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC001593329089 1349781568 /nfs/dbraw/zinc/78/15/68/1349781568.db2.gz FAXQEYMQDSREIQ-UHFFFAOYSA-N -1 1 347.247 2.312 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC001593329089 1349781569 /nfs/dbraw/zinc/78/15/69/1349781569.db2.gz FAXQEYMQDSREIQ-UHFFFAOYSA-N -1 1 347.247 2.312 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2cccnc2)C1 ZINC001593338175 1349784848 /nfs/dbraw/zinc/78/48/48/1349784848.db2.gz PTWHINDISCMWDU-LBPRGKRZSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2cccnc2)C1 ZINC001593338175 1349784852 /nfs/dbraw/zinc/78/48/52/1349784852.db2.gz PTWHINDISCMWDU-LBPRGKRZSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCSC[C@H]1C1CC1 ZINC001593370784 1349791634 /nfs/dbraw/zinc/79/16/34/1349791634.db2.gz IKMHTEHCMGHDBD-NSHDSACASA-N -1 1 335.458 2.286 20 0 EEADMM c1cc(CC2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)cs1 ZINC001593555202 1349846471 /nfs/dbraw/zinc/84/64/71/1349846471.db2.gz WFMNCMAXWOBODX-UHFFFAOYSA-N -1 1 339.428 2.275 20 0 EEADMM c1cc(CC2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)cs1 ZINC001593555202 1349846476 /nfs/dbraw/zinc/84/64/76/1349846476.db2.gz WFMNCMAXWOBODX-UHFFFAOYSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593570645 1349856056 /nfs/dbraw/zinc/85/60/56/1349856056.db2.gz JHKRSUULJHYJCF-JSGCOSHPSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593570645 1349856057 /nfs/dbraw/zinc/85/60/57/1349856057.db2.gz JHKRSUULJHYJCF-JSGCOSHPSA-N -1 1 337.387 2.237 20 0 EEADMM c1cn(Cc2ccccc2)nc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001593576080 1349859335 /nfs/dbraw/zinc/85/93/35/1349859335.db2.gz KFORHVIFSSKLJB-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1cn(Cc2ccccc2)nc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001593576080 1349859336 /nfs/dbraw/zinc/85/93/36/1349859336.db2.gz KFORHVIFSSKLJB-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1c(Nc2c3ccccc3nnc2-c2nnn[n-]2)nn2c1CCCC2 ZINC001593580004 1349860813 /nfs/dbraw/zinc/86/08/13/1349860813.db2.gz JXFVPQPFGIAGEX-UHFFFAOYSA-N -1 1 333.359 2.086 20 0 EEADMM c1c(Nc2c3ccccc3nnc2-c2nn[n-]n2)nn2c1CCCC2 ZINC001593580004 1349860817 /nfs/dbraw/zinc/86/08/17/1349860817.db2.gz JXFVPQPFGIAGEX-UHFFFAOYSA-N -1 1 333.359 2.086 20 0 EEADMM c1ccc2c(c1)CC[C@H](CNc1cc(-c3nnn[n-]3)nc(C3CC3)n1)N2 ZINC001593581066 1349862455 /nfs/dbraw/zinc/86/24/55/1349862455.db2.gz KHKPNZXGJNYGKR-CYBMUJFWSA-N -1 1 348.414 2.373 20 0 EEADMM c1ccc2c(c1)CC[C@H](CNc1cc(-c3nn[n-]n3)nc(C3CC3)n1)N2 ZINC001593581066 1349862457 /nfs/dbraw/zinc/86/24/57/1349862457.db2.gz KHKPNZXGJNYGKR-CYBMUJFWSA-N -1 1 348.414 2.373 20 0 EEADMM c1ccc2c(c1)CC(c1noc(-c3ccnc(-c4nnn[n-]4)c3)n1)C2 ZINC001593581612 1349863319 /nfs/dbraw/zinc/86/33/19/1349863319.db2.gz SIJYLAACZPVGDD-UHFFFAOYSA-N -1 1 331.339 2.194 20 0 EEADMM c1ccc2c(c1)CC(c1noc(-c3ccnc(-c4nn[n-]n4)c3)n1)C2 ZINC001593581612 1349863322 /nfs/dbraw/zinc/86/33/22/1349863322.db2.gz SIJYLAACZPVGDD-UHFFFAOYSA-N -1 1 331.339 2.194 20 0 EEADMM Cc1ccc(-c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])s2)o1 ZINC001600314448 1350018180 /nfs/dbraw/zinc/01/81/80/1350018180.db2.gz YMNZOTMRXIKEPH-NSHDSACASA-N -1 1 345.380 2.465 20 0 EEADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c(C)c1Br ZINC001600413113 1350045117 /nfs/dbraw/zinc/04/51/17/1350045117.db2.gz PNFCMTCFADXMJE-OLZOCXBDSA-N -1 1 342.233 2.333 20 0 EEADMM Cc1cccc(-c2nsc(N3CCN(CCC(=O)[O-])C[C@H]3C)n2)c1 ZINC001600508610 1350069463 /nfs/dbraw/zinc/06/94/63/1350069463.db2.gz RUZIQUCPAOUSRZ-CYBMUJFWSA-N -1 1 346.456 2.499 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@@](C)(CC(=O)[O-])c3ccncc3)c2[nH]1 ZINC001600720734 1350120761 /nfs/dbraw/zinc/12/07/61/1350120761.db2.gz KADKBFVHBFWGGV-SFHVURJKSA-N -1 1 338.367 2.386 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001600785333 1350136487 /nfs/dbraw/zinc/13/64/87/1350136487.db2.gz KOZJMXJMESSWGO-PSLIRLAXSA-N -1 1 345.403 2.002 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@H](c1ccccc1)[C@H](C)O ZINC001600785562 1350137155 /nfs/dbraw/zinc/13/71/55/1350137155.db2.gz FDRSBIFQNMBJQF-KSSFIOAISA-N -1 1 331.416 2.186 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001600860940 1350154471 /nfs/dbraw/zinc/15/44/71/1350154471.db2.gz WLZKYIJTQWQKDI-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Nc1ccncc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001601217757 1350234123 /nfs/dbraw/zinc/23/41/23/1350234123.db2.gz APSLDTVIWFRLJJ-CYBMUJFWSA-N -1 1 325.368 2.042 20 0 EEADMM O=C([O-])c1sccc1CNCC(=O)Nc1ccc(F)c(F)c1 ZINC001601326942 1350258179 /nfs/dbraw/zinc/25/81/79/1350258179.db2.gz CJTGGJCCARIPFH-UHFFFAOYSA-N -1 1 326.324 2.453 20 0 EEADMM O=C([O-])c1cc(NC(=O)Cc2n[nH]c(C3CC3)n2)cc(Cl)c1F ZINC001601375616 1350269782 /nfs/dbraw/zinc/26/97/82/1350269782.db2.gz TVCRTTDSVOHLIZ-UHFFFAOYSA-N -1 1 338.726 2.354 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1F ZINC001601399737 1350274587 /nfs/dbraw/zinc/27/45/87/1350274587.db2.gz OIKFHRJGKQRUHR-AWEZNQCLSA-N -1 1 340.314 2.167 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC001601581539 1350312176 /nfs/dbraw/zinc/31/21/76/1350312176.db2.gz JZLGWGRVMGDKEV-NTSWFWBYSA-N -1 1 334.553 2.467 20 0 EEADMM O=C([O-])c1cccc2[nH]c(NC(=O)c3nnc4ccccc4c3O)nc21 ZINC001601630982 1350323900 /nfs/dbraw/zinc/32/39/00/1350323900.db2.gz OGBWOFGVJCHCEZ-UHFFFAOYSA-N -1 1 349.306 2.162 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCc1cnsn1 ZINC001601658509 1350330438 /nfs/dbraw/zinc/33/04/38/1350330438.db2.gz IDUPFBGICHCWNP-LLVKDONJSA-N -1 1 347.318 2.222 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc(Cl)cc1F)C[C@H]2C(=O)[O-] ZINC001601781334 1350363196 /nfs/dbraw/zinc/36/31/96/1350363196.db2.gz OGPKATSHYUPNRN-YWFMTQBDSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])C1CCN(C(=O)CN2CCC(F)(c3ccccc3)CC2)CC1 ZINC001601823744 1350372969 /nfs/dbraw/zinc/37/29/69/1350372969.db2.gz XKIYODWVHLETLR-UHFFFAOYSA-N -1 1 348.418 2.270 20 0 EEADMM O=C([O-])CC1(NC(=O)c2cccc(Br)c2O)CCC1 ZINC001601931557 1350400252 /nfs/dbraw/zinc/40/02/52/1350400252.db2.gz QDNRZIPYYMXOCS-UHFFFAOYSA-N -1 1 328.162 2.282 20 0 EEADMM O=C([O-])CC1CC(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC001601944076 1350402619 /nfs/dbraw/zinc/40/26/19/1350402619.db2.gz QPDUFQIIASPGRX-YMAMQOFZSA-N -1 1 349.431 2.359 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1F ZINC001602123998 1350444776 /nfs/dbraw/zinc/44/47/76/1350444776.db2.gz CWQPGIIDUUIFDV-CYBMUJFWSA-N -1 1 332.335 2.375 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C[C@@H](O)c2cccc(F)c2)C1 ZINC001602219141 1350469154 /nfs/dbraw/zinc/46/91/54/1350469154.db2.gz NJQNZNVYCOJWSW-DMDPSCGWSA-N -1 1 335.297 2.444 20 0 EEADMM O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1Cl ZINC001602438416 1350520145 /nfs/dbraw/zinc/52/01/45/1350520145.db2.gz PWQPYSVLHVURMX-SNVBAGLBSA-N -1 1 336.779 2.242 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)c1ccc(-c3nnc[nH]3)cc1)CC2 ZINC001602459297 1350523864 /nfs/dbraw/zinc/52/38/64/1350523864.db2.gz PTPXUAHHAGVCNO-UHFFFAOYSA-N -1 1 348.362 2.368 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)c1cccc(-c3nnc[nH]3)c1)CC2 ZINC001602459015 1350524068 /nfs/dbraw/zinc/52/40/68/1350524068.db2.gz HUQQBABTCQYACG-UHFFFAOYSA-N -1 1 348.362 2.368 20 0 EEADMM CC(=O)NCc1ccc(CNCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001603052549 1350628495 /nfs/dbraw/zinc/62/84/95/1350628495.db2.gz RQGVLQRGUYRFRE-HJWRWDBZSA-N -1 1 328.368 2.303 20 0 EEADMM CC(C)(C)N1CC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603077513 1350635182 /nfs/dbraw/zinc/63/51/82/1350635182.db2.gz DHFPIAILGGHWRX-LLVKDONJSA-N -1 1 335.408 2.497 20 0 EEADMM CC(C)(C)OC(=O)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC001603087277 1350637369 /nfs/dbraw/zinc/63/73/69/1350637369.db2.gz ROCFTRNDKIRDRT-UHFFFAOYSA-N -1 1 333.826 2.410 20 0 EEADMM CC(C)(C)OC(=O)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC001603087277 1350637377 /nfs/dbraw/zinc/63/73/77/1350637377.db2.gz ROCFTRNDKIRDRT-UHFFFAOYSA-N -1 1 333.826 2.410 20 0 EEADMM CC(C)(C)c1nc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n[nH]1 ZINC001603125056 1350646239 /nfs/dbraw/zinc/64/62/39/1350646239.db2.gz BXFOHWKTLGMAII-UHFFFAOYSA-N -1 1 343.420 2.101 20 0 EEADMM C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccccc1O)c1ccccc1 ZINC001603191429 1350660078 /nfs/dbraw/zinc/66/00/78/1350660078.db2.gz RHAUERNRXHECSL-ABAIWWIYSA-N -1 1 335.381 2.133 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603436799 1350705282 /nfs/dbraw/zinc/70/52/82/1350705282.db2.gz OXFAQXJIBGOMDD-JTQLQIEISA-N -1 1 349.464 2.433 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603436799 1350705287 /nfs/dbraw/zinc/70/52/87/1350705287.db2.gz OXFAQXJIBGOMDD-JTQLQIEISA-N -1 1 349.464 2.433 20 0 EEADMM C[C@@H](CSc1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001603572158 1350721992 /nfs/dbraw/zinc/72/19/92/1350721992.db2.gz MBJGAUMGVCWYIR-NSHDSACASA-N -1 1 327.417 2.274 20 0 EEADMM C[C@H](C[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603570290 1350722413 /nfs/dbraw/zinc/72/24/13/1350722413.db2.gz BVKUQULFGKKDKW-SFDCACGMSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@H](C[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603570290 1350722418 /nfs/dbraw/zinc/72/24/18/1350722418.db2.gz BVKUQULFGKKDKW-SFDCACGMSA-N -1 1 327.413 2.314 20 0 EEADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001603767751 1350761484 /nfs/dbraw/zinc/76/14/84/1350761484.db2.gz CUAPUTHBTZBCOA-KBXCAEBGSA-N -1 1 335.448 2.254 20 0 EEADMM CC1(C)C[C@@]1(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001603767216 1350761590 /nfs/dbraw/zinc/76/15/90/1350761590.db2.gz YCWFRABNGUDGAX-LJQANCHMSA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)C[C@@]1(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603767216 1350761592 /nfs/dbraw/zinc/76/15/92/1350761592.db2.gz YCWFRABNGUDGAX-LJQANCHMSA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC001603794866 1350769480 /nfs/dbraw/zinc/76/94/80/1350769480.db2.gz AEUPIZXEJMYFSS-HOCLYGCPSA-N -1 1 348.410 2.431 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC001603794866 1350769485 /nfs/dbraw/zinc/76/94/85/1350769485.db2.gz AEUPIZXEJMYFSS-HOCLYGCPSA-N -1 1 348.410 2.431 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603870882 1350788378 /nfs/dbraw/zinc/78/83/78/1350788378.db2.gz HYRUVFAJALBECS-KKOKHZNYSA-N -1 1 343.435 2.439 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603870882 1350788382 /nfs/dbraw/zinc/78/83/82/1350788382.db2.gz HYRUVFAJALBECS-KKOKHZNYSA-N -1 1 343.435 2.439 20 0 EEADMM CC[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001604048858 1350838905 /nfs/dbraw/zinc/83/89/05/1350838905.db2.gz HYEJYZHKGMCRAE-LURJTMIESA-N -1 1 327.801 2.287 20 0 EEADMM CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604117121 1350863794 /nfs/dbraw/zinc/86/37/94/1350863794.db2.gz XNKPDDGUTDMJDX-KRWDZBQOSA-N -1 1 348.410 2.340 20 0 EEADMM CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604117121 1350863798 /nfs/dbraw/zinc/86/37/98/1350863798.db2.gz XNKPDDGUTDMJDX-KRWDZBQOSA-N -1 1 348.410 2.340 20 0 EEADMM C[C@@](CCF)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(=O)[O-] ZINC001604142701 1350872462 /nfs/dbraw/zinc/87/24/62/1350872462.db2.gz TYPOANDCDCZWRE-AWEZNQCLSA-N -1 1 326.759 2.213 20 0 EEADMM CCCCS(=O)(=O)Oc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001604189415 1350889261 /nfs/dbraw/zinc/88/92/61/1350889261.db2.gz FQKOFMXWGIHQBA-UHFFFAOYSA-N -1 1 334.760 2.168 20 0 EEADMM CCCN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC001604194231 1350890534 /nfs/dbraw/zinc/89/05/34/1350890534.db2.gz PUMVTFAJNUHBFN-UHFFFAOYSA-N -1 1 346.435 2.164 20 0 EEADMM CCOC(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001604388173 1350927366 /nfs/dbraw/zinc/92/73/66/1350927366.db2.gz QKWAOOALSNICBX-UHFFFAOYSA-N -1 1 341.327 2.197 20 0 EEADMM CCOC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001604388173 1350927367 /nfs/dbraw/zinc/92/73/67/1350927367.db2.gz QKWAOOALSNICBX-UHFFFAOYSA-N -1 1 341.327 2.197 20 0 EEADMM C[C@H](Oc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O)C(=O)[O-] ZINC001604442753 1350939074 /nfs/dbraw/zinc/93/90/74/1350939074.db2.gz GCLZAAURMFMIQS-ZIVIXCLASA-N -1 1 337.441 2.024 20 0 EEADMM CCOc1cccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001604464730 1350943312 /nfs/dbraw/zinc/94/33/12/1350943312.db2.gz CSVGSQYGVZTYBB-UHFFFAOYSA-N -1 1 339.359 2.118 20 0 EEADMM CCc1nc(NCC2(CCOC)CCCC2)cc(-c2nnn[n-]2)n1 ZINC001604563309 1350961282 /nfs/dbraw/zinc/96/12/82/1350961282.db2.gz OSTVLLDMPUHPOL-UHFFFAOYSA-N -1 1 331.424 2.228 20 0 EEADMM CCc1nc(NCC2(CCOC)CCCC2)cc(-c2nn[n-]n2)n1 ZINC001604563309 1350961285 /nfs/dbraw/zinc/96/12/85/1350961285.db2.gz OSTVLLDMPUHPOL-UHFFFAOYSA-N -1 1 331.424 2.228 20 0 EEADMM CN(C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C1CC1)C1CC1 ZINC001604643113 1350975613 /nfs/dbraw/zinc/97/56/13/1350975613.db2.gz LTDDPXOGKXZJOO-UHFFFAOYSA-N -1 1 332.433 2.258 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1c(F)cccc1Cl ZINC001604790934 1351004026 /nfs/dbraw/zinc/00/40/26/1351004026.db2.gz OYERKPGHNBYFLP-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc(Cl)c1F ZINC001604790513 1351004042 /nfs/dbraw/zinc/00/40/42/1351004042.db2.gz LTINWTQFGGRJPJ-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001604793144 1351005843 /nfs/dbraw/zinc/00/58/43/1351005843.db2.gz RLDAIFFRCFOEQE-IDHHARJASA-N -1 1 348.418 2.064 20 0 EEADMM COC(=O)c1ccc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001604969748 1351041195 /nfs/dbraw/zinc/04/11/95/1351041195.db2.gz KEZVWAYAVGDZBF-MRVPVSSYSA-N -1 1 346.299 2.066 20 0 EEADMM COC(=O)c1ccc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001604969748 1351041199 /nfs/dbraw/zinc/04/11/99/1351041199.db2.gz KEZVWAYAVGDZBF-MRVPVSSYSA-N -1 1 346.299 2.066 20 0 EEADMM COC(=O)c1ccc(NCC2CCC3(CC3)CC2)c(-c2nnn[n-]2)n1 ZINC001604975719 1351043441 /nfs/dbraw/zinc/04/34/41/1351043441.db2.gz WNWHGDASQGTLAD-UHFFFAOYSA-N -1 1 342.403 2.431 20 0 EEADMM COC(=O)c1ccc(NCC2CCC3(CC3)CC2)c(-c2nn[n-]n2)n1 ZINC001604975719 1351043443 /nfs/dbraw/zinc/04/34/43/1351043443.db2.gz WNWHGDASQGTLAD-UHFFFAOYSA-N -1 1 342.403 2.431 20 0 EEADMM CO[C@@]1(C)CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001605015857 1351055964 /nfs/dbraw/zinc/05/59/64/1351055964.db2.gz PWHWXJYNWGOKSU-LBPRGKRZSA-N -1 1 328.829 2.372 20 0 EEADMM COC1(c2ccccc2)CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001605021551 1351057715 /nfs/dbraw/zinc/05/77/15/1351057715.db2.gz SDGQIMMOUHYOFT-UHFFFAOYSA-N -1 1 327.413 2.286 20 0 EEADMM CON(C)C(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605141142 1351086871 /nfs/dbraw/zinc/08/68/71/1351086871.db2.gz LFINCQIQJTVQLD-UHFFFAOYSA-N -1 1 341.331 2.079 20 0 EEADMM CON(C)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605141142 1351086874 /nfs/dbraw/zinc/08/68/74/1351086874.db2.gz LFINCQIQJTVQLD-UHFFFAOYSA-N -1 1 341.331 2.079 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001605202813 1351102238 /nfs/dbraw/zinc/10/22/38/1351102238.db2.gz AXXNONPHNYMVSQ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605202813 1351102242 /nfs/dbraw/zinc/10/22/42/1351102242.db2.gz AXXNONPHNYMVSQ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(Cc2noc(-c3cccc(-c4nnn[n-]4)n3)n2)ccc1C ZINC001605222287 1351108039 /nfs/dbraw/zinc/10/80/39/1351108039.db2.gz NBTKBXXWDZNWJN-UHFFFAOYSA-N -1 1 349.354 2.220 20 0 EEADMM COc1cc(Cc2noc(-c3cccc(-c4nn[n-]n4)n3)n2)ccc1C ZINC001605222287 1351108044 /nfs/dbraw/zinc/10/80/44/1351108044.db2.gz NBTKBXXWDZNWJN-UHFFFAOYSA-N -1 1 349.354 2.220 20 0 EEADMM COc1cccc([C@H](C)CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC001605312706 1351133556 /nfs/dbraw/zinc/13/35/56/1351133556.db2.gz JOEFDBFUNCCKJE-SECBINFHSA-N -1 1 344.400 2.464 20 0 EEADMM COc1cccc([C@H](C)CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC001605312706 1351133559 /nfs/dbraw/zinc/13/35/59/1351133559.db2.gz JOEFDBFUNCCKJE-SECBINFHSA-N -1 1 344.400 2.464 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001605326833 1351137672 /nfs/dbraw/zinc/13/76/72/1351137672.db2.gz MIQBCYCQLPUNCE-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001605326833 1351137676 /nfs/dbraw/zinc/13/76/76/1351137676.db2.gz MIQBCYCQLPUNCE-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccccc1OCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605335157 1351139531 /nfs/dbraw/zinc/13/95/31/1351139531.db2.gz NRPMCOMAXHDXJL-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccccc1OCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001605335157 1351139532 /nfs/dbraw/zinc/13/95/32/1351139532.db2.gz NRPMCOMAXHDXJL-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1nccc2c(NCc3nc(-c4nnn[n-]4)cs3)cccc21 ZINC001605349648 1351142484 /nfs/dbraw/zinc/14/24/84/1351142484.db2.gz XGSDVVASBYIJRK-UHFFFAOYSA-N -1 1 339.384 2.492 20 0 EEADMM COc1nccc2c(NCc3nc(-c4nn[n-]n4)cs3)cccc21 ZINC001605349648 1351142485 /nfs/dbraw/zinc/14/24/85/1351142485.db2.gz XGSDVVASBYIJRK-UHFFFAOYSA-N -1 1 339.384 2.492 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)O[C@@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001605380036 1351148772 /nfs/dbraw/zinc/14/87/72/1351148772.db2.gz AGQNOWUHYWTSJE-RKDXNWHRSA-N -1 1 349.416 2.425 20 0 EEADMM CSc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)ccn1 ZINC001605382546 1351149756 /nfs/dbraw/zinc/14/97/56/1351149756.db2.gz ZDRJLYGLSLOBNM-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM CSc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)ccn1 ZINC001605382546 1351149759 /nfs/dbraw/zinc/14/97/59/1351149759.db2.gz ZDRJLYGLSLOBNM-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])o1 ZINC001605433020 1351157611 /nfs/dbraw/zinc/15/76/11/1351157611.db2.gz DGRWMRNPSRJMEP-UHFFFAOYSA-N -1 1 349.387 2.473 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C(=O)c3ccccc3)CC2)n1 ZINC001605559552 1351190051 /nfs/dbraw/zinc/19/00/51/1351190051.db2.gz DWOLVAPEWMFGIA-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C(=O)c3ccccc3)CC2)n1 ZINC001605559552 1351190054 /nfs/dbraw/zinc/19/00/54/1351190054.db2.gz DWOLVAPEWMFGIA-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM Cc1ccc(C)c(OCCCn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001605832790 1351231684 /nfs/dbraw/zinc/23/16/84/1351231684.db2.gz CGSFCNIZMLOKJG-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001605842012 1351233854 /nfs/dbraw/zinc/23/38/54/1351233854.db2.gz OJGJCNOIWMFEME-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001605842012 1351233859 /nfs/dbraw/zinc/23/38/59/1351233859.db2.gz OJGJCNOIWMFEME-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1Cl ZINC001605870453 1351242628 /nfs/dbraw/zinc/24/26/28/1351242628.db2.gz IGYJNTRRONGVEW-UHFFFAOYSA-N -1 1 344.762 2.490 20 0 EEADMM Cc1[nH]nc(NC(=O)C=Cc2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC001606013681 1351263401 /nfs/dbraw/zinc/26/34/01/1351263401.db2.gz VJWRJMXORNFQGY-CMDGGOBGSA-N -1 1 346.354 2.098 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(C2CCCC2)c1 ZINC001606169384 1351280896 /nfs/dbraw/zinc/28/08/96/1351280896.db2.gz IOIPFTDSAGUWMB-UHFFFAOYSA-N -1 1 327.348 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(C2CCCC2)c1 ZINC001606169384 1351280898 /nfs/dbraw/zinc/28/08/98/1351280898.db2.gz IOIPFTDSAGUWMB-UHFFFAOYSA-N -1 1 327.348 2.332 20 0 EEADMM COC(=O)c1[nH]c(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001606522751 1351316140 /nfs/dbraw/zinc/31/61/40/1351316140.db2.gz SCCJPLYPHPVMBV-JTQLQIEISA-N -1 1 349.412 2.254 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606685868 1351342583 /nfs/dbraw/zinc/34/25/83/1351342583.db2.gz OMALHARDNZFLIT-LBPRGKRZSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606685868 1351342584 /nfs/dbraw/zinc/34/25/84/1351342584.db2.gz OMALHARDNZFLIT-LBPRGKRZSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(NC[C@H]1CCCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001606727675 1351348163 /nfs/dbraw/zinc/34/81/63/1351348163.db2.gz RZNKATPQBKHGSW-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@H]1CCCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001606727675 1351348166 /nfs/dbraw/zinc/34/81/66/1351348166.db2.gz RZNKATPQBKHGSW-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001606803708 1351358650 /nfs/dbraw/zinc/35/86/50/1351358650.db2.gz FQFHMCKLZHRWOH-ZWNOBZJWSA-N -1 1 345.309 2.238 20 0 EEADMM O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606803708 1351358652 /nfs/dbraw/zinc/35/86/52/1351358652.db2.gz FQFHMCKLZHRWOH-ZWNOBZJWSA-N -1 1 345.309 2.238 20 0 EEADMM COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC(=O)[O-] ZINC001606864758 1351368040 /nfs/dbraw/zinc/36/80/40/1351368040.db2.gz JDSDCBBHTBOOGZ-AWEZNQCLSA-N -1 1 344.452 2.199 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(C2CCCCC2)C1 ZINC001606941294 1351381242 /nfs/dbraw/zinc/38/12/42/1351381242.db2.gz QMPODVQCCUCEJR-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(C2CCCCC2)C1 ZINC001606941294 1351381246 /nfs/dbraw/zinc/38/12/46/1351381246.db2.gz QMPODVQCCUCEJR-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(OC1(Cc2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606962868 1351385003 /nfs/dbraw/zinc/38/50/03/1351385003.db2.gz MVABJFSFQDAZHB-UHFFFAOYSA-N -1 1 339.330 2.333 20 0 EEADMM O=C(OC1(Cc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606962868 1351385004 /nfs/dbraw/zinc/38/50/04/1351385004.db2.gz MVABJFSFQDAZHB-UHFFFAOYSA-N -1 1 339.330 2.333 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC001607030564 1351400979 /nfs/dbraw/zinc/40/09/79/1351400979.db2.gz IOLXSHSIMZHAFW-SFHVURJKSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC001607030564 1351400980 /nfs/dbraw/zinc/40/09/80/1351400980.db2.gz IOLXSHSIMZHAFW-SFHVURJKSA-N -1 1 335.367 2.190 20 0 EEADMM O=C1CCCc2c1cn(CC13CCC(CC1)C3)c(=O)c2-c1nn[n-]n1 ZINC001607043159 1351403177 /nfs/dbraw/zinc/40/31/77/1351403177.db2.gz JLQPAHGOMIJPAW-UHFFFAOYSA-N -1 1 339.399 2.128 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cc(F)ccc1Cl)CCC2 ZINC001607089066 1351413283 /nfs/dbraw/zinc/41/32/83/1351413283.db2.gz DOEFOPBKFZRNNH-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM OC[C@@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001607105855 1351420642 /nfs/dbraw/zinc/42/06/42/1351420642.db2.gz GQDYNFGMECOHJS-LLVKDONJSA-N -1 1 327.413 2.099 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607129892 1351432219 /nfs/dbraw/zinc/43/22/19/1351432219.db2.gz WMMZMZBLBKSFLB-XJKSGUPXSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607129892 1351432220 /nfs/dbraw/zinc/43/22/20/1351432220.db2.gz WMMZMZBLBKSFLB-XJKSGUPXSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2[nH]c([C@H]3CCCCN3c3cc(-c4nnn[n-]4)ncn3)nc2c1 ZINC001607131047 1351433215 /nfs/dbraw/zinc/43/32/15/1351433215.db2.gz MHFAYBDNGFTSRV-CQSZACIVSA-N -1 1 347.386 2.265 20 0 EEADMM c1ccc2[nH]c([C@H]3CCCCN3c3cc(-c4nn[n-]n4)ncn3)nc2c1 ZINC001607131047 1351433218 /nfs/dbraw/zinc/43/32/18/1351433218.db2.gz MHFAYBDNGFTSRV-CQSZACIVSA-N -1 1 347.386 2.265 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(NCCc2nc3c(s2)CCCC3)c1 ZINC001607134133 1351434803 /nfs/dbraw/zinc/43/48/03/1351434803.db2.gz WVUHOQKFPXIIJF-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(NCCc2nc3c(s2)CCCC3)c1 ZINC001607134133 1351434805 /nfs/dbraw/zinc/43/48/05/1351434805.db2.gz WVUHOQKFPXIIJF-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM COc1ccc(-c2nnc(CN3CC[C@@H](C(=O)[O-])C[C@H]3C)o2)cc1 ZINC001607196484 1351446935 /nfs/dbraw/zinc/44/69/35/1351446935.db2.gz QEULTZLSXOIMNC-DGCLKSJQSA-N -1 1 331.372 2.430 20 0 EEADMM COc1ccc([C@H](NCc2cccc3nccn32)C(=O)[O-])c(OC)c1 ZINC001607233772 1351455576 /nfs/dbraw/zinc/45/55/76/1351455576.db2.gz ARMLDURXJAPINW-KRWDZBQOSA-N -1 1 341.367 2.267 20 0 EEADMM COc1ccc([C@H](NCc2cnn(C(C)(C)C)c2)C(=O)[O-])cc1O ZINC001607236143 1351455865 /nfs/dbraw/zinc/45/58/65/1351455865.db2.gz XSICJJBTUKSHFF-HNNXBMFYSA-N -1 1 333.388 2.268 20 0 EEADMM COc1cccc([C@H]2CC(=O)N(CN3CCC[C@](C)(C(=O)[O-])C3)C2)c1 ZINC001607318895 1351472406 /nfs/dbraw/zinc/47/24/06/1351472406.db2.gz IHISMGVFIPOPTI-KXBFYZLASA-N -1 1 346.427 2.155 20 0 EEADMM COc1nsc(CN(Cc2ccccc2)C[C@@H](C)O)c1C(=O)[O-] ZINC001607362741 1351482701 /nfs/dbraw/zinc/48/27/01/1351482701.db2.gz FPIGCHOFLOJXQX-LLVKDONJSA-N -1 1 336.413 2.233 20 0 EEADMM C[C@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463547 1351498049 /nfs/dbraw/zinc/49/80/49/1351498049.db2.gz YNVQSISBZQGKRO-MVWJERBFSA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1C[C@@H](N2CCC[C@@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463547 1351498050 /nfs/dbraw/zinc/49/80/50/1351498050.db2.gz YNVQSISBZQGKRO-MVWJERBFSA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1CN(C(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC001607466478 1351498325 /nfs/dbraw/zinc/49/83/25/1351498325.db2.gz UEFSAADTPBUITK-BIMULSAOSA-N -1 1 344.333 2.274 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)n1C ZINC001607518271 1351509698 /nfs/dbraw/zinc/50/96/98/1351509698.db2.gz SLTUIGAKBYRBGR-OAHLLOKOSA-N -1 1 343.362 2.168 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CN(C)[C@H]2CCSC2)cc1 ZINC001607752307 1351552146 /nfs/dbraw/zinc/55/21/46/1351552146.db2.gz YMWYKVGBUHBENM-GJZGRUSLSA-N -1 1 336.457 2.064 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001607987268 1351598423 /nfs/dbraw/zinc/59/84/23/1351598423.db2.gz HSWCSGXRRXSBFS-KGLIPLIRSA-N -1 1 327.388 2.182 20 0 EEADMM NCc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001608257837 1351657529 /nfs/dbraw/zinc/65/75/29/1351657529.db2.gz PQHVXZAVWGYOFU-ZDUSSCGKSA-N -1 1 328.368 2.286 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@H](CCO)c2ccccc2)cc1 ZINC001608339616 1351674369 /nfs/dbraw/zinc/67/43/69/1351674369.db2.gz BFZKRLPNZVENRP-MRXNPFEDSA-N -1 1 328.368 2.037 20 0 EEADMM O=C([O-])c1cccc(CC(=O)Nc2nc(-c3cccs3)n[nH]2)c1 ZINC001608366095 1351680219 /nfs/dbraw/zinc/68/02/19/1351680219.db2.gz KPQNRCQMJSCEGI-UHFFFAOYSA-N -1 1 328.353 2.413 20 0 EEADMM CCC(CC)(NC(=O)c1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC001623442030 1352397229 /nfs/dbraw/zinc/39/72/29/1352397229.db2.gz ZQJUBUZRSAVUPT-UHFFFAOYSA-N -1 1 326.360 2.300 20 0 EEADMM CCCn1c(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc2ccccc21 ZINC001641493373 1352722110 /nfs/dbraw/zinc/72/21/10/1352722110.db2.gz NOBNKODBMDGNPS-UHFFFAOYSA-N -1 1 326.356 2.183 20 0 EEADMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001646690096 1352925288 /nfs/dbraw/zinc/92/52/88/1352925288.db2.gz QGMMCJZKRAOAAV-ZJUUUORDSA-N -1 1 346.460 2.185 20 0 EEADMM COC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001646903939 1353037634 /nfs/dbraw/zinc/03/76/34/1353037634.db2.gz RKDKECBYBQBQKI-IBGZPJMESA-N -1 1 348.443 2.037 20 0 EEADMM CCOc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc(C)n1 ZINC001647278761 1353216683 /nfs/dbraw/zinc/21/66/83/1353216683.db2.gz GKGIJZOXSYJRPV-UHFFFAOYSA-N -1 1 346.353 2.079 20 0 EEADMM C[S@@](=O)(=NC([O-])=CS(=O)(=O)C1CCCC1)c1cccc(F)c1 ZINC001650219219 1353780799 /nfs/dbraw/zinc/78/07/99/1353780799.db2.gz OPBAEWXQCUWBLI-NRFANRHFSA-N -1 1 347.433 2.166 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@@H](C)CC(C)C ZINC001388240000 1387276111 /nfs/dbraw/zinc/27/61/11/1387276111.db2.gz OHNOYGIVHSTDQG-AWEZNQCLSA-N -1 1 335.448 2.438 20 0 EEADMM CCc1ccsc1C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001388433274 1387459039 /nfs/dbraw/zinc/45/90/39/1387459039.db2.gz MDVKIRJOHCZHAV-NSHDSACASA-N -1 1 347.440 2.207 20 0 EEADMM O=S(=O)(CC1CC1)[N-][C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001189007981 1368338881 /nfs/dbraw/zinc/33/88/81/1368338881.db2.gz VUAFKOSFRKFOSC-HNNXBMFYSA-N -1 1 344.427 2.226 20 0 EEADMM CC(C)c1ccc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c(Cl)n1 ZINC001199703568 1368694960 /nfs/dbraw/zinc/69/49/60/1368694960.db2.gz HWDMEXSMCDMETF-UHFFFAOYSA-N -1 1 348.750 2.140 20 0 EEADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001487779975 1368720455 /nfs/dbraw/zinc/72/04/55/1368720455.db2.gz ARCHVBNBIUNYRN-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C12CCC(CC1)C2)NC(=O)c1ncccc1[O-] ZINC001488777886 1369066688 /nfs/dbraw/zinc/06/66/88/1369066688.db2.gz CGGFKRWVIFTEDQ-HYBWSFCUSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)=C(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001072534579 1370732014 /nfs/dbraw/zinc/73/20/14/1370732014.db2.gz LVFYPDHAHFRTNV-UONOGXRCSA-N -1 1 331.416 2.110 20 0 EEADMM CCC[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000780512879 1371163195 /nfs/dbraw/zinc/16/31/95/1371163195.db2.gz IYJHZUGJQLIECB-ZIAGYGMSSA-N -1 1 337.420 2.277 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCCc2c[nH]nn2)c1 ZINC000782315907 1371279821 /nfs/dbraw/zinc/27/98/21/1371279821.db2.gz XKVZMTVLZBFKJN-UHFFFAOYSA-N -1 1 331.372 2.212 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)N(C)C ZINC000798812773 1371612637 /nfs/dbraw/zinc/61/26/37/1371612637.db2.gz SNBXFHNLLDYVLJ-INIZCTEOSA-N -1 1 334.441 2.231 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C1CC1 ZINC001116461953 1371727397 /nfs/dbraw/zinc/72/73/97/1371727397.db2.gz CQEKZYAGMLFDKK-SECBINFHSA-N -1 1 325.217 2.092 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831121642 1372364623 /nfs/dbraw/zinc/36/46/23/1372364623.db2.gz NTEWGARTPJKKFC-UHFFFAOYSA-N -1 1 341.333 2.018 20 0 EEADMM CCOC[C@@H]1CN(Cc2ccccc2C(=O)[O-])Cc2cn(C)nc21 ZINC001140501689 1372587983 /nfs/dbraw/zinc/58/79/83/1372587983.db2.gz HTDQKRDAUDXZFZ-HNNXBMFYSA-N -1 1 329.400 2.254 20 0 EEADMM CC(C)(C)OC(=O)CN1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140892847 1372705585 /nfs/dbraw/zinc/70/55/85/1372705585.db2.gz BPXXXYLIYIBGET-UHFFFAOYSA-N -1 1 342.386 2.130 20 0 EEADMM O=C([N-]OC1CCC1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000836798701 1372748775 /nfs/dbraw/zinc/74/87/75/1372748775.db2.gz BELUAAFOVUXFFB-UHFFFAOYSA-N -1 1 345.367 2.362 20 0 EEADMM CO[C@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)C12CCC2 ZINC000837011240 1372763160 /nfs/dbraw/zinc/76/31/60/1372763160.db2.gz HATIVRFAHGTLDT-RYUDHWBXSA-N -1 1 332.429 2.048 20 0 EEADMM CCOC(Cn1cc(C(=O)Nc2ccc(F)cc2[O-])cn1)OCC ZINC000837500531 1372787887 /nfs/dbraw/zinc/78/78/87/1372787887.db2.gz SAQWHZHNGUSZHA-UHFFFAOYSA-N -1 1 337.351 2.379 20 0 EEADMM O=C(Nc1ncc(Cl)s1)c1nc[n-]c(=O)c1Br ZINC001361971131 1373357504 /nfs/dbraw/zinc/35/75/04/1373357504.db2.gz PLXQKBYGDYCDGE-UHFFFAOYSA-N -1 1 335.570 2.307 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCS1 ZINC001362467976 1373417474 /nfs/dbraw/zinc/41/74/74/1373417474.db2.gz XDRVRITVEKYRKW-QWRGUYRKSA-N -1 1 341.799 2.093 20 0 EEADMM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc([O-])c1F ZINC001362524321 1373428062 /nfs/dbraw/zinc/42/80/62/1373428062.db2.gz UHEJTLUVWLDDIT-LBPRGKRZSA-N -1 1 336.750 2.011 20 0 EEADMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc([O-])c1F ZINC001362524319 1373428078 /nfs/dbraw/zinc/42/80/78/1373428078.db2.gz UHEJTLUVWLDDIT-GFCCVEGCSA-N -1 1 336.750 2.011 20 0 EEADMM O=C(NC1(C(F)(F)F)CCCCC1)N1CCC(c2nn[n-]n2)CC1 ZINC001365289104 1373691089 /nfs/dbraw/zinc/69/10/89/1373691089.db2.gz YXLSEKRETLTBRS-UHFFFAOYSA-N -1 1 346.357 2.354 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001370260473 1374861669 /nfs/dbraw/zinc/86/16/69/1374861669.db2.gz XQVVWHZVKNJTRZ-ZIAGYGMSSA-N -1 1 333.432 2.381 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(Cc2csc(C3CC3)n2)CC1 ZINC001374064776 1376578165 /nfs/dbraw/zinc/57/81/65/1376578165.db2.gz GYXFSNDKGDVNOL-UHFFFAOYSA-N -1 1 344.440 2.079 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])o1 ZINC001376262516 1378405634 /nfs/dbraw/zinc/40/56/34/1378405634.db2.gz UWWYFYKLBPMYPS-CYBMUJFWSA-N -1 1 345.399 2.023 20 0 EEADMM C[C@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)CCC1(C)CC1 ZINC001378435072 1379957644 /nfs/dbraw/zinc/95/76/44/1379957644.db2.gz SORXXQIVAKOZQS-UGSOOPFHSA-N -1 1 349.479 2.245 20 0 EEADMM CCCCC(=O)N1CC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001379240535 1380648381 /nfs/dbraw/zinc/64/83/81/1380648381.db2.gz ANOSKTXRIXMXHC-GOSISDBHSA-N -1 1 331.416 2.042 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1)NC(=O)c1ncccc1[O-] ZINC001383831070 1382742806 /nfs/dbraw/zinc/74/28/06/1382742806.db2.gz OIEDDQAPPVGKFT-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM Cc1cocc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001384531493 1384509749 /nfs/dbraw/zinc/50/97/49/1384509749.db2.gz GAPJLHHUTVPCBX-NWDGAFQWSA-N -1 1 331.372 2.016 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001384610000 1385096988 /nfs/dbraw/zinc/09/69/88/1385096988.db2.gz ILBMBZUNRKIEFG-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@H](C)CCC(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219071 1386576662 /nfs/dbraw/zinc/57/66/62/1386576662.db2.gz CNHMYNPAJGHUGU-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cscc1C ZINC001387416032 1386717829 /nfs/dbraw/zinc/71/78/29/1386717829.db2.gz KCGQKDPTPPGADB-UHFFFAOYSA-N -1 1 347.440 2.439 20 0 EEADMM CC(C)c1ccoc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001387439813 1386735787 /nfs/dbraw/zinc/73/57/87/1386735787.db2.gz FGZHGNCQSDGCLL-GFCCVEGCSA-N -1 1 345.399 2.442 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001387696147 1386946990 /nfs/dbraw/zinc/94/69/90/1386946990.db2.gz OHAWKBQHKAOWDQ-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(C)cc(F)c1)NC(=O)c1ncccc1[O-] ZINC001388192231 1387241390 /nfs/dbraw/zinc/24/13/90/1387241390.db2.gz DFDMPHDLZYZRBI-AWEZNQCLSA-N -1 1 345.374 2.173 20 0 EEADMM CCCN(C(=O)c1ccccc1O)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001391264947 1389179294 /nfs/dbraw/zinc/17/92/94/1389179294.db2.gz CILNXQJXAWHSBE-INIZCTEOSA-N -1 1 342.443 2.252 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCC1 ZINC001396119971 1390906837 /nfs/dbraw/zinc/90/68/37/1390906837.db2.gz AXCCLGSSIASKBO-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](NC(=O)C1(C)CC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396877608 1390984683 /nfs/dbraw/zinc/98/46/83/1390984683.db2.gz NFBFPNWRVVTLAO-QWHCGFSZSA-N -1 1 331.416 2.087 20 0 EEADMM CCN(CCNC(=O)c1cccc(C)c1F)C(=O)c1ncccc1[O-] ZINC001398095316 1391692588 /nfs/dbraw/zinc/69/25/88/1391692588.db2.gz QZBPXEMODCJUKR-UHFFFAOYSA-N -1 1 345.374 2.127 20 0 EEADMM O=C(CCC1CCCC1)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001398156907 1391756316 /nfs/dbraw/zinc/75/63/16/1391756316.db2.gz FMQJFSLEFQGWSQ-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H](CC(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001400967268 1396770544 /nfs/dbraw/zinc/77/05/44/1396770544.db2.gz RURAJMBOHKDFKC-DJJJIMSYSA-N -1 1 345.443 2.192 20 0 EEADMM CCCC[C@@H](CN[C@@H](C)c1noc(C)n1)NC(=O)c1ncccc1[O-] ZINC001403282432 1399731618 /nfs/dbraw/zinc/73/16/18/1399731618.db2.gz TUTNQZXKPKXBKC-AAEUAGOBSA-N -1 1 347.419 2.118 20 0 EEADMM CCCC[C@@H](CN[C@@H](C)c1ncccn1)NC(=O)c1ncccc1[O-] ZINC001422688869 1400125776 /nfs/dbraw/zinc/12/57/76/1400125776.db2.gz XVAUBTFFJUMSHR-KBPBESRZSA-N -1 1 343.431 2.217 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)C1CCC1 ZINC001424389199 1401086070 /nfs/dbraw/zinc/08/60/70/1401086070.db2.gz QOZLUULLPUNRFI-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001426216427 1401963206 /nfs/dbraw/zinc/96/32/06/1401963206.db2.gz ILEHMLVXUOTXNU-QWRGUYRKSA-N -1 1 333.413 2.176 20 0 EEADMM CC(C)(C)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001426982120 1402283824 /nfs/dbraw/zinc/28/38/24/1402283824.db2.gz LJWQQLJIRBXZMT-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC1(C(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC001432024140 1403184250 /nfs/dbraw/zinc/18/42/50/1403184250.db2.gz YVKFIOMRJPNIFL-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001433008464 1403347702 /nfs/dbraw/zinc/34/77/02/1403347702.db2.gz HETNLVCRGCLRMZ-OAHLLOKOSA-N -1 1 341.411 2.362 20 0 EEADMM O=C(Cc1cnn(-c2ccccc2)n1)Nc1cc([O-])c(F)cc1F ZINC001570101799 1403509682 /nfs/dbraw/zinc/50/96/82/1403509682.db2.gz LJSAYSYSTZIGRU-UHFFFAOYSA-N -1 1 330.294 2.432 20 0 EEADMM CC(C)OC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001574296249 1403519236 /nfs/dbraw/zinc/51/92/36/1403519236.db2.gz BFRBYRAGVFFPKI-UHFFFAOYSA-N -1 1 344.419 2.119 20 0 EEADMM CC(C)OC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001574296249 1403519240 /nfs/dbraw/zinc/51/92/40/1403519240.db2.gz BFRBYRAGVFFPKI-UHFFFAOYSA-N -1 1 344.419 2.119 20 0 EEADMM CC[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001578428208 1403754003 /nfs/dbraw/zinc/75/40/03/1403754003.db2.gz YBOYGKINTPQOTG-VHSXEESVSA-N -1 1 341.462 2.127 20 0 EEADMM CN(CCOc1ccccc1Cl)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579229832 1403780188 /nfs/dbraw/zinc/78/01/88/1403780188.db2.gz HQIBIWNEHZHFEB-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM CN(CCOc1ccccc1Cl)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579229832 1403780194 /nfs/dbraw/zinc/78/01/94/1403780194.db2.gz HQIBIWNEHZHFEB-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM COC(=O)c1ccc(N[C@H]2C[C@H]2c2ccccc2)c(-c2nnn[n-]2)n1 ZINC001579483709 1403784426 /nfs/dbraw/zinc/78/44/26/1403784426.db2.gz LQHKPJWGFQPCFO-FZMZJTMJSA-N -1 1 336.355 2.016 20 0 EEADMM COC(=O)c1ccc(N[C@H]2C[C@H]2c2ccccc2)c(-c2nn[n-]n2)n1 ZINC001579483709 1403784436 /nfs/dbraw/zinc/78/44/36/1403784436.db2.gz LQHKPJWGFQPCFO-FZMZJTMJSA-N -1 1 336.355 2.016 20 0 EEADMM COc1ccc(Cl)cc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580032938 1403811510 /nfs/dbraw/zinc/81/15/10/1403811510.db2.gz QKPNBLXRDNLXNT-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1ccc(Cl)cc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580032938 1403811526 /nfs/dbraw/zinc/81/15/26/1403811526.db2.gz QKPNBLXRDNLXNT-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)ccc2C)nn1C ZINC001581201605 1403878541 /nfs/dbraw/zinc/87/85/41/1403878541.db2.gz LAKYMXRIIHRAEX-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)ccc2C)nn1C ZINC001581201605 1403878548 /nfs/dbraw/zinc/87/85/48/1403878548.db2.gz LAKYMXRIIHRAEX-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591464069 1403916609 /nfs/dbraw/zinc/91/66/09/1403916609.db2.gz AWAWDUNOFXCPQJ-NWDGAFQWSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591464069 1403916615 /nfs/dbraw/zinc/91/66/15/1403916615.db2.gz AWAWDUNOFXCPQJ-NWDGAFQWSA-N -1 1 330.392 2.092 20 0 EEADMM Cc1csc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001592324229 1404019600 /nfs/dbraw/zinc/01/96/00/1404019600.db2.gz YMQPWBUXLVVMPK-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1csc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001592324229 1404019608 /nfs/dbraw/zinc/01/96/08/1404019608.db2.gz YMQPWBUXLVVMPK-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482291 1404701192 /nfs/dbraw/zinc/70/11/92/1404701192.db2.gz BVFILVRAXXITKC-IUCAKERBSA-N -1 1 347.448 2.047 20 0 EEADMM Cc1nsc(NC(=O)NC/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC001592481780 1404701199 /nfs/dbraw/zinc/70/11/99/1404701199.db2.gz VVLNGZUVXDZJKS-YVMONPNESA-N -1 1 341.400 2.467 20 0 EEADMM Cc1nsc(NC(=O)NC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC001592481780 1404701203 /nfs/dbraw/zinc/70/12/03/1404701203.db2.gz VVLNGZUVXDZJKS-YVMONPNESA-N -1 1 341.400 2.467 20 0 EEADMM O=C(C=Cc1ccccc1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592794266 1404722922 /nfs/dbraw/zinc/72/29/22/1404722922.db2.gz LYLUQRGTRULVCP-VOTSOKGWSA-N -1 1 341.321 2.475 20 0 EEADMM O=C(C=Cc1ccccc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592794266 1404722926 /nfs/dbraw/zinc/72/29/26/1404722926.db2.gz LYLUQRGTRULVCP-VOTSOKGWSA-N -1 1 341.321 2.475 20 0 EEADMM CN(C)Cc1cc(CNC(=O)NCc2cc(C(=O)[O-])co2)ccc1F ZINC001606033529 1404758573 /nfs/dbraw/zinc/75/85/73/1404758573.db2.gz RDRWVXSCJFAYRT-UHFFFAOYSA-N -1 1 349.362 2.178 20 0 EEADMM CN(Cc1cc(C(=O)[O-])n(C)c1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001606147206 1404767495 /nfs/dbraw/zinc/76/74/95/1404767495.db2.gz BROLSXPONLYKEB-OAHLLOKOSA-N -1 1 343.383 2.181 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001606193230 1404775954 /nfs/dbraw/zinc/77/59/54/1404775954.db2.gz SUAXYTNVEOPFTG-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001606193230 1404775964 /nfs/dbraw/zinc/77/59/64/1404775964.db2.gz SUAXYTNVEOPFTG-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@H]1C=CCC1 ZINC001756273362 1408275449 /nfs/dbraw/zinc/27/54/49/1408275449.db2.gz QCHLGLZHYIROMC-KBPBESRZSA-N -1 1 331.416 2.158 20 0 EEADMM CC/C(C)=C\C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001756709984 1409234744 /nfs/dbraw/zinc/23/47/44/1409234744.db2.gz GMDGCJXEDGDPHX-GAJOTYCWSA-N -1 1 333.432 2.404 20 0 EEADMM CC/C=C(\C)C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001757043251 1409560310 /nfs/dbraw/zinc/56/03/10/1409560310.db2.gz SFQZZBNLHGUADF-KOHOMEMWSA-N -1 1 343.427 2.301 20 0 EEADMM C/C=C(/C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001757401814 1409700026 /nfs/dbraw/zinc/70/00/26/1409700026.db2.gz OFPCALSKCTZWBT-MSUNXFKOSA-N -1 1 331.416 2.110 20 0 EEADMM CCC[C@H](O)C[N-]S(=O)(=O)c1c(F)cccc1Br ZINC000305207646 1409799494 /nfs/dbraw/zinc/79/94/94/1409799494.db2.gz NNNHRJJRZQIHCH-QMMMGPOBSA-N -1 1 340.214 2.028 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CCO[C@H]1c1cn[nH]c1 ZINC000869427347 1410358234 /nfs/dbraw/zinc/35/82/34/1410358234.db2.gz LGNFGIBZGLCNFA-MEDUHNTESA-N -1 1 335.791 2.205 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@H](C(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000780513604 761256886 /nfs/dbraw/zinc/25/68/86/761256886.db2.gz TYJNMODHUYMJJE-HIFRSBDPSA-N -1 1 337.420 2.133 20 0 EEADMM C[C@H](CNc1cnc2ccccc2n1)N(C)C(=O)c1ncccc1[O-] ZINC001104536899 761715538 /nfs/dbraw/zinc/71/55/38/761715538.db2.gz XEBZDHXHLIMZCF-GFCCVEGCSA-N -1 1 337.383 2.303 20 0 EEADMM O=C(/C=C/C1CC1)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715626 769084325 /nfs/dbraw/zinc/08/43/25/769084325.db2.gz DBWPEBTWIYXFTJ-KTRQRASZSA-N -1 1 343.427 2.158 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001089464742 769519103 /nfs/dbraw/zinc/51/91/03/769519103.db2.gz KPVYZPYQPRFCTD-OLZOCXBDSA-N -1 1 349.479 2.053 20 0 EEADMM CN(C)c1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)ccn1 ZINC000919153804 769628524 /nfs/dbraw/zinc/62/85/24/769628524.db2.gz JSKBSWQMLXEHKX-UHFFFAOYSA-N -1 1 340.335 2.317 20 0 EEADMM O=C(NCC1CN(Cc2cc(O)ccc2Cl)C1)c1ncccc1[O-] ZINC001031628458 770444521 /nfs/dbraw/zinc/44/45/21/770444521.db2.gz MXDROERQSNDOTJ-UHFFFAOYSA-N -1 1 347.802 2.008 20 0 EEADMM CC(C)c1ocnc1CN1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001027844551 773437329 /nfs/dbraw/zinc/43/73/29/773437329.db2.gz UZXDXYFTOKNPAE-CYBMUJFWSA-N -1 1 344.415 2.293 20 0 EEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1(CC)CC ZINC000175106263 773461978 /nfs/dbraw/zinc/46/19/78/773461978.db2.gz FYZVLHAVCCJSOA-MNOVXSKESA-N -1 1 349.884 2.336 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000980086846 773856378 /nfs/dbraw/zinc/85/63/78/773856378.db2.gz RLPUDOQFQAYRGD-KTSLABGISA-N -1 1 345.443 2.238 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC000942755121 783138218 /nfs/dbraw/zinc/13/82/18/783138218.db2.gz UYEVTCLEIIYYRM-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC000942757414 783143943 /nfs/dbraw/zinc/14/39/43/783143943.db2.gz FQDMMVGXGSWEQZ-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000068075197 774173979 /nfs/dbraw/zinc/17/39/79/774173979.db2.gz JZMWVACLXPYZME-UHFFFAOYSA-N -1 1 335.341 2.008 20 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342.395 2.238 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ncc(Cl)cn1)c1ncccc1[O-] ZINC001064092658 792333868 /nfs/dbraw/zinc/33/38/68/792333868.db2.gz CPQGOQHTZTZBKQ-ZYHUDNBSSA-N -1 1 347.806 2.241 20 0 EEADMM CCC(=O)NC[C@H]1c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC001079101129 792781599 /nfs/dbraw/zinc/78/15/99/792781599.db2.gz HOOXICBPPGFIGU-HNNXBMFYSA-N -1 1 339.395 2.053 20 0 EEADMM O=C(Nc1[nH]nc2cccnc21)c1cc([O-])c(Br)c(O)c1 ZINC001148981981 792838367 /nfs/dbraw/zinc/83/83/67/792838367.db2.gz VEOLMTOECOTCEN-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM O=C(NCCOC(F)(F)F)c1cc([O-])c(Br)c(O)c1 ZINC001148989993 792845770 /nfs/dbraw/zinc/84/57/70/792845770.db2.gz NZIBJYLBZOLZGF-UHFFFAOYSA-N -1 1 344.083 2.127 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1cnc(F)cn1 ZINC001064395593 793025636 /nfs/dbraw/zinc/02/56/36/793025636.db2.gz MOOONDMMBVJAGQ-NEPJUHHUSA-N -1 1 345.378 2.069 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccc(C)n1 ZINC001064396126 793028077 /nfs/dbraw/zinc/02/80/77/793028077.db2.gz VBUBCNAXKUBBQW-KGLIPLIRSA-N -1 1 341.415 2.238 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CCN(c3cccc(F)n3)[C@@H]2C1 ZINC001064678807 793558170 /nfs/dbraw/zinc/55/81/70/793558170.db2.gz VUXNCTOBEMFBCS-QWHCGFSZSA-N -1 1 342.374 2.062 20 0 EEADMM CC(C)[C@H](F)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000784313134 793560715 /nfs/dbraw/zinc/56/07/15/793560715.db2.gz ZYASKOJQGQBZLN-LBPRGKRZSA-N -1 1 347.289 2.082 20 0 EEADMM CCc1cc(C)nc(NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001064896885 793932894 /nfs/dbraw/zinc/93/28/94/793932894.db2.gz BOOJBJNDINDGRJ-AWEZNQCLSA-N -1 1 341.415 2.165 20 0 EEADMM COc1cccc([C@@H](C)CC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913744021 794208699 /nfs/dbraw/zinc/20/86/99/794208699.db2.gz WIAYNQWPAKHRJA-LBPRGKRZSA-N -1 1 329.404 2.108 20 0 EEADMM CCOc1cc(Cl)ccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744506 794210572 /nfs/dbraw/zinc/21/05/72/794210572.db2.gz RAFQGFBSNPVABG-UHFFFAOYSA-N -1 1 335.795 2.272 20 0 EEADMM O=C(c1ccc(C(F)F)cc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913745626 794214846 /nfs/dbraw/zinc/21/48/46/794214846.db2.gz LUHIECGVPKXYMY-UHFFFAOYSA-N -1 1 325.294 2.296 20 0 EEADMM CCC(=CC(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1)CC ZINC001079602809 795009133 /nfs/dbraw/zinc/00/91/33/795009133.db2.gz CWTVVKXOWOTOOK-UHFFFAOYSA-N -1 1 331.416 2.207 20 0 EEADMM CC(C)Cc1nsc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296547 795359165 /nfs/dbraw/zinc/35/91/65/795359165.db2.gz VLCVICJNJNPFGA-LLVKDONJSA-N -1 1 349.460 2.458 20 0 EEADMM CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080281558 795822553 /nfs/dbraw/zinc/82/25/53/795822553.db2.gz DIWUVZJWTOSXHY-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1nc(C)c(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)o1 ZINC000993235823 796154546 /nfs/dbraw/zinc/15/45/46/796154546.db2.gz AAFZGODSUBYJNG-TZMCWYRMSA-N -1 1 344.415 2.175 20 0 EEADMM NCc1nccnc1[N-]c1ncc(C(=O)OCC2CC2)cc1Cl ZINC001171450675 796538622 /nfs/dbraw/zinc/53/86/22/796538622.db2.gz XWKCDPQBGNMFSL-UHFFFAOYSA-N -1 1 333.779 2.294 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCP(=O)([O-])[O-])CC12CCC2 ZINC001171831745 796764437 /nfs/dbraw/zinc/76/44/37/796764437.db2.gz PQEKNRLOCIPGDO-LBPRGKRZSA-N -1 1 348.380 2.076 20 0 EEADMM CC1(C)C[C@@H]([NH2+]CCOP(=O)([O-])[O-])CCN1Cc1ccccc1 ZINC001171973400 796836126 /nfs/dbraw/zinc/83/61/26/796836126.db2.gz YOKJQMUPZHZCDU-HNNXBMFYSA-N -1 1 342.376 2.129 20 0 EEADMM CCCCCC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081881855 796941659 /nfs/dbraw/zinc/94/16/59/796941659.db2.gz NPEFYZGSWARJMR-AWEZNQCLSA-N -1 1 333.432 2.478 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)cc(CO)c2)c1 ZINC001212750502 797600878 /nfs/dbraw/zinc/60/08/78/797600878.db2.gz JAYOJUPMYSEEID-UHFFFAOYSA-N -1 1 340.332 2.034 20 0 EEADMM CCOC(=O)c1nonc1[N-]c1ccc(C(=O)N(CC)CC)cc1 ZINC001174064120 797683733 /nfs/dbraw/zinc/68/37/33/797683733.db2.gz QZBJMPNHOKHNEE-UHFFFAOYSA-N -1 1 332.360 2.472 20 0 EEADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1 ZINC001174078713 797693572 /nfs/dbraw/zinc/69/35/72/797693572.db2.gz JLOQMGSICMMFRC-UHFFFAOYSA-N -1 1 347.440 2.455 20 0 EEADMM CC(C)S(=O)(=O)c1ccc(Nc2cc(=O)[n-]c(N(C)C)n2)cc1 ZINC001174269469 797735882 /nfs/dbraw/zinc/73/58/82/797735882.db2.gz RXBHIHBFFGSKII-UHFFFAOYSA-N -1 1 336.417 2.174 20 0 EEADMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc(OC)nnc1OC ZINC001174351249 797738251 /nfs/dbraw/zinc/73/82/51/797738251.db2.gz IIRKOAYMYPOYCF-UHFFFAOYSA-N -1 1 334.332 2.280 20 0 EEADMM Cc1cc(N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001061076468 797957112 /nfs/dbraw/zinc/95/71/12/797957112.db2.gz PXEOARDLJRGZGG-STQMWFEESA-N -1 1 327.388 2.039 20 0 EEADMM C[S@](=O)c1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001175478713 798118441 /nfs/dbraw/zinc/11/84/41/798118441.db2.gz JGRCKCLESVDFOH-FQEVSTJZSA-N -1 1 325.411 2.277 20 0 EEADMM Cc1coc(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ncccc2[O-])c1 ZINC001002848661 798713303 /nfs/dbraw/zinc/71/33/03/798713303.db2.gz DHRDBLRTJHJANE-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CCCC(=O)N1CC[C@@H]([C@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003165332 799329999 /nfs/dbraw/zinc/32/99/99/799329999.db2.gz YIOBOAFDXLUJGI-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM CC/C=C(/C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065935867 799779101 /nfs/dbraw/zinc/77/91/01/799779101.db2.gz HYZACEKHCRHUDL-XMRSSTEGSA-N -1 1 331.416 2.254 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C=Cc1cc(F)c(F)cc1F ZINC001179880188 800156637 /nfs/dbraw/zinc/15/66/37/800156637.db2.gz XGLDXCPELBQOFK-OWOJBTEDSA-N -1 1 340.217 2.355 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1OC ZINC000824288083 800259304 /nfs/dbraw/zinc/25/93/04/800259304.db2.gz NQFANGBVZLBIGT-INMHGKMJSA-N -1 1 331.368 2.173 20 0 EEADMM CC(C)OCCNC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181010915 800634876 /nfs/dbraw/zinc/63/48/76/800634876.db2.gz IXEMZTDCSMITGS-CYBMUJFWSA-N -1 1 346.349 2.338 20 0 EEADMM Cc1nc(CN2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])sc1C ZINC001085561561 800766839 /nfs/dbraw/zinc/76/68/39/800766839.db2.gz PMCWKKIWHPLXCY-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM CN(C[C@@H]1CCN1Cc1cc(F)cc(F)c1)C(=O)c1ncccc1[O-] ZINC001085562136 800787734 /nfs/dbraw/zinc/78/77/34/800787734.db2.gz DVVKBNDPUJRVEW-HNNXBMFYSA-N -1 1 347.365 2.412 20 0 EEADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001183398904 801586402 /nfs/dbraw/zinc/58/64/02/801586402.db2.gz UYZMECJRNWSIAI-STQMWFEESA-N -1 1 343.383 2.496 20 0 EEADMM Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)NCc2n[nH]c(=O)[n-]2)s1 ZINC001004700647 802630454 /nfs/dbraw/zinc/63/04/54/802630454.db2.gz UGKRLLVGPLTPFI-NEPJUHHUSA-N -1 1 349.460 2.053 20 0 EEADMM Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)NCc2n[nH]c(=O)[n-]2)s1 ZINC001004700659 802630950 /nfs/dbraw/zinc/63/09/50/802630950.db2.gz UGKRLLVGPLTPFI-RYUDHWBXSA-N -1 1 349.460 2.053 20 0 EEADMM C[C@H](CN(C)c1nc(C(C)(C)C)ns1)NC(=O)c1ncccc1[O-] ZINC001108933333 804702647 /nfs/dbraw/zinc/70/26/47/804702647.db2.gz MQNKMXRTYBBDIS-SNVBAGLBSA-N -1 1 349.460 2.191 20 0 EEADMM CCN(CC)[C@@H](C(=O)[N-]OCCO)c1cccc(C(F)(F)F)c1 ZINC000787293204 807069544 /nfs/dbraw/zinc/06/95/44/807069544.db2.gz VUAJKCMZXPRVFK-CYBMUJFWSA-N -1 1 334.338 2.128 20 0 EEADMM C[C@@H](Nc1ncnc2ccccc21)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001112984334 807764256 /nfs/dbraw/zinc/76/42/56/807764256.db2.gz UYAQGCHBMMDGKT-NEPJUHHUSA-N -1 1 337.383 2.349 20 0 EEADMM CCO[C@@H]1C[C@](O)(CNC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000789879901 808236096 /nfs/dbraw/zinc/23/60/96/808236096.db2.gz WYRMIYNYWNZSMG-WBMJQRKESA-N -1 1 327.808 2.342 20 0 EEADMM CSc1nc(CNC(=O)c2c[nH]c3cccc(F)c23)cc(=O)[n-]1 ZINC001143620258 808768724 /nfs/dbraw/zinc/76/87/24/808768724.db2.gz PAEXINVENYXTKM-UHFFFAOYSA-N -1 1 332.360 2.455 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC[C@@H](C)O)cc2)cc1 ZINC000791645114 809342500 /nfs/dbraw/zinc/34/25/00/809342500.db2.gz ZMWFDTLRJMOOAV-CYBMUJFWSA-N -1 1 349.408 2.333 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncc4cccc(Cl)c4n3)c2[nH]1 ZINC001170213929 809817772 /nfs/dbraw/zinc/81/77/72/809817772.db2.gz SAHCYWRPPWICFY-UHFFFAOYSA-N -1 1 329.707 2.056 20 0 EEADMM CC1(C)COC(c2ccccc2Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)=N1 ZINC001170219947 809821112 /nfs/dbraw/zinc/82/11/12/809821112.db2.gz PVIXSSVJARWGFK-UHFFFAOYSA-N -1 1 340.343 2.015 20 0 EEADMM CCc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc(-c2ccncc2)n1 ZINC001170227214 809845504 /nfs/dbraw/zinc/84/55/04/809845504.db2.gz HDQSHTTZQATEQQ-UHFFFAOYSA-N -1 1 334.343 2.217 20 0 EEADMM CON(CC(C)(C)C)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000804584912 810953545 /nfs/dbraw/zinc/95/35/45/810953545.db2.gz RJJWZGSCNBLLED-UHFFFAOYSA-N -1 1 334.420 2.420 20 0 EEADMM CC(C)[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cccc2ncccc21 ZINC000805603081 811363548 /nfs/dbraw/zinc/36/35/48/811363548.db2.gz GEESMJSIFWVARY-HNNXBMFYSA-N -1 1 339.355 2.173 20 0 EEADMM CC[C@H](C)OCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806015738 811706821 /nfs/dbraw/zinc/70/68/21/811706821.db2.gz ARQBXDBJQRXGQO-LBPRGKRZSA-N -1 1 345.399 2.453 20 0 EEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000807094835 812094969 /nfs/dbraw/zinc/09/49/69/812094969.db2.gz CLPMAXGDFPDFNM-BDJLRTHQSA-N -1 1 331.343 2.342 20 0 EEADMM COCc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1 ZINC000808126726 812447277 /nfs/dbraw/zinc/44/72/77/812447277.db2.gz DVQSRTACMALBMZ-UHFFFAOYSA-N -1 1 333.365 2.304 20 0 EEADMM O=C([O-])c1cnc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC001602508603 971215589 /nfs/dbraw/zinc/21/55/89/971215589.db2.gz VKKHKUZBRDXTPZ-UHFFFAOYSA-N -1 1 333.254 2.241 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)s1 ZINC001573556378 946927102 /nfs/dbraw/zinc/92/71/02/946927102.db2.gz QKUDRVXRLYOOIR-UHFFFAOYSA-N -1 1 334.386 2.148 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)s1 ZINC001573556378 946927105 /nfs/dbraw/zinc/92/71/05/946927105.db2.gz QKUDRVXRLYOOIR-UHFFFAOYSA-N -1 1 334.386 2.148 20 0 EEADMM CCOC(=O)c1cnn(CCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000825570357 947230358 /nfs/dbraw/zinc/23/03/58/947230358.db2.gz 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/nfs/dbraw/zinc/17/23/49/598172349.db2.gz LPIIRJYZZDGZRZ-OAHLLOKOSA-N -1 1 339.457 2.346 20 0 EEADMM CC(C)[C@@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000820041956 598189242 /nfs/dbraw/zinc/18/92/42/598189242.db2.gz ZYOFXMWTBGOJPQ-HUUCEWRRSA-N -1 1 347.440 2.048 20 0 EEADMM CN(CCn1cc(Br)cn1)Cc1ccc(C(=O)[O-])o1 ZINC000724843279 600299642 /nfs/dbraw/zinc/29/96/42/600299642.db2.gz IOQTWGJBUMUPPI-UHFFFAOYSA-N -1 1 328.166 2.069 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2cscc2C)cc1-c1nn[n-]n1 ZINC000826229506 607464601 /nfs/dbraw/zinc/46/46/01/607464601.db2.gz HICBUPLCDZXKJX-UHFFFAOYSA-N -1 1 348.413 2.311 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@H](C)O ZINC000829142094 600812591 /nfs/dbraw/zinc/81/25/91/600812591.db2.gz RXPRHRROLDYVRL-ZFWWWQNUSA-N -1 1 349.431 2.002 20 0 EEADMM Cn1cc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1C(=O)[O-] ZINC000392103559 600829032 /nfs/dbraw/zinc/82/90/32/600829032.db2.gz JZIPPRLMOPBGFM-UHFFFAOYSA-N -1 1 349.412 2.124 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccccc1F ZINC000831705479 600835068 /nfs/dbraw/zinc/83/50/68/600835068.db2.gz NDSSBENLOKUVFN-LLVKDONJSA-N -1 1 341.364 2.077 20 0 EEADMM C[C@@H](NC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1cccs1 ZINC000827710100 601337851 /nfs/dbraw/zinc/33/78/51/601337851.db2.gz MTQPBWRDRRQMCQ-NWDGAFQWSA-N -1 1 341.502 2.164 20 0 EEADMM CN(C)[C@H](CNC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830584934 601338796 /nfs/dbraw/zinc/33/87/96/601338796.db2.gz HTZZQZBJQNDFTJ-CYBMUJFWSA-N -1 1 343.880 2.272 20 0 EEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000833333010 601361973 /nfs/dbraw/zinc/36/19/73/601361973.db2.gz BNOOIXLNTVRBJL-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM Cn1cc(C2CCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)cn1 ZINC000833042883 601400974 /nfs/dbraw/zinc/40/09/74/601400974.db2.gz CZQVDUYWMQDZDQ-UHFFFAOYSA-N -1 1 339.399 2.305 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000831583919 601490596 /nfs/dbraw/zinc/49/05/96/601490596.db2.gz BALBIBNDDPFUOH-IBGZPJMESA-N -1 1 343.427 2.330 20 0 EEADMM CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829125975 601497887 /nfs/dbraw/zinc/49/78/87/601497887.db2.gz RMSIPXSGCGUDHW-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000829125442 601498050 /nfs/dbraw/zinc/49/80/50/601498050.db2.gz NEALFYSKALPTMV-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM CCN(C(=O)CN1C[C@H](C)[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829596810 601517141 /nfs/dbraw/zinc/51/71/41/601517141.db2.gz CLGGYFAUCFTVFE-RYUDHWBXSA-N -1 1 347.440 2.302 20 0 EEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828355526 601801794 /nfs/dbraw/zinc/80/17/94/601801794.db2.gz YHWKTJPVWIAQKY-ILXRZTDVSA-N -1 1 349.431 2.169 20 0 EEADMM CCN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)[C@@H](C)C(C)C ZINC000829713891 601875896 /nfs/dbraw/zinc/87/58/96/601875896.db2.gz RBKQTFMYSCLLPZ-ZDUSSCGKSA-N -1 1 347.415 2.477 20 0 EEADMM 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CC(C)c1nc([C@@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000833512579 605020884 /nfs/dbraw/zinc/02/08/84/605020884.db2.gz QMHIBLLDRIQJMH-LLVKDONJSA-N -1 1 345.403 2.229 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000833768047 605025045 /nfs/dbraw/zinc/02/50/45/605025045.db2.gz XEIXWQUIWNGICO-BZSNNMDCSA-N -1 1 349.390 2.479 20 0 EEADMM C[C@H]1CC(NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C[C@H](C)C1 ZINC000833593244 605053378 /nfs/dbraw/zinc/05/33/78/605053378.db2.gz HNAJCVHXBVOPJO-MCIONIFRSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000833626904 605100784 /nfs/dbraw/zinc/10/07/84/605100784.db2.gz RYXWXIGVSFXCSV-AWEZNQCLSA-N -1 1 346.427 2.096 20 0 EEADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000833628931 605107414 /nfs/dbraw/zinc/10/74/14/605107414.db2.gz CMVNHNDLNHTNKS-WCQYABFASA-N -1 1 337.420 2.448 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833671207 605115616 /nfs/dbraw/zinc/11/56/16/605115616.db2.gz SYGYREGZQSBHOF-HUUCEWRRSA-N -1 1 332.444 2.360 20 0 EEADMM CC1CCC(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CC1 ZINC000833605081 605137621 /nfs/dbraw/zinc/13/76/21/605137621.db2.gz WVRVRIVUVOUEJV-SLTAFYQDSA-N -1 1 325.453 2.003 20 0 EEADMM CC(C)Oc1ccccc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833507609 605167410 /nfs/dbraw/zinc/16/74/10/605167410.db2.gz XCDFNZQZWJJHGT-CQSZACIVSA-N -1 1 334.416 2.095 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000833508910 605175475 /nfs/dbraw/zinc/17/54/75/605175475.db2.gz OTOASQJYEHEVJM-INMHGKMJSA-N -1 1 347.459 2.400 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CCN1CCC(=O)[O-] ZINC000833620312 605250480 /nfs/dbraw/zinc/25/04/80/605250480.db2.gz GRVDKYXYSNCOPZ-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000830036646 605295626 /nfs/dbraw/zinc/29/56/26/605295626.db2.gz XAIMMGDYCCDDIN-NSHDSACASA-N -1 1 345.403 2.281 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)Cc1[nH]nc2ccccc21 ZINC000833765204 605504425 /nfs/dbraw/zinc/50/44/25/605504425.db2.gz AFSHFKAGPWHHSE-MRXNPFEDSA-N -1 1 342.326 2.484 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826339252 607765770 /nfs/dbraw/zinc/76/57/70/607765770.db2.gz XLSXFHPRICYIFM-SSDOTTSWSA-N -1 1 332.389 2.067 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826339252 607765771 /nfs/dbraw/zinc/76/57/71/607765771.db2.gz XLSXFHPRICYIFM-SSDOTTSWSA-N -1 1 332.389 2.067 20 0 EEADMM CN(CCC1CCCCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821599220 606155110 /nfs/dbraw/zinc/15/51/10/606155110.db2.gz KVGQLZDIWVCDIP-UHFFFAOYSA-N -1 1 332.412 2.034 20 0 EEADMM CN(CCC1CCCCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821599220 606155112 /nfs/dbraw/zinc/15/51/12/606155112.db2.gz KVGQLZDIWVCDIP-UHFFFAOYSA-N -1 1 332.412 2.034 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820861908 606155211 /nfs/dbraw/zinc/15/52/11/606155211.db2.gz OKRXVNOXJQIQBX-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820861908 606155213 /nfs/dbraw/zinc/15/52/13/606155213.db2.gz OKRXVNOXJQIQBX-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000822614966 606166145 /nfs/dbraw/zinc/16/61/45/606166145.db2.gz YFBGIYMOYAUDJV-SDDRHHMPSA-N -1 1 344.423 2.081 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000822614966 606166147 /nfs/dbraw/zinc/16/61/47/606166147.db2.gz YFBGIYMOYAUDJV-SDDRHHMPSA-N -1 1 344.423 2.081 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000823294832 606195498 /nfs/dbraw/zinc/19/54/98/606195498.db2.gz SXONOFCJJINODZ-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]1C ZINC000822535147 606437295 /nfs/dbraw/zinc/43/72/95/606437295.db2.gz IAIVSJYWZNKGAK-SNVBAGLBSA-N -1 1 326.360 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]1C ZINC000822535147 606437297 /nfs/dbraw/zinc/43/72/97/606437297.db2.gz IAIVSJYWZNKGAK-SNVBAGLBSA-N -1 1 326.360 2.183 20 0 EEADMM Cn1c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)nc2ccccc21 ZINC000822596483 606442185 /nfs/dbraw/zinc/44/21/85/606442185.db2.gz LSJXRQLFVMWRPH-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Cn1c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)nc2ccccc21 ZINC000822596483 606442186 /nfs/dbraw/zinc/44/21/86/606442186.db2.gz LSJXRQLFVMWRPH-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM FC(F)(F)COCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822718491 606450963 /nfs/dbraw/zinc/45/09/63/606450963.db2.gz KDFZGGBGQCTEGL-UHFFFAOYSA-N -1 1 336.705 2.296 20 0 EEADMM FC(F)(F)COCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822718491 606450965 /nfs/dbraw/zinc/45/09/65/606450965.db2.gz KDFZGGBGQCTEGL-UHFFFAOYSA-N -1 1 336.705 2.296 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823216035 606495773 /nfs/dbraw/zinc/49/57/73/606495773.db2.gz WLVWBGMJABEHJS-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823216035 606495774 /nfs/dbraw/zinc/49/57/74/606495774.db2.gz WLVWBGMJABEHJS-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(C)CCC1 ZINC000822534912 606544653 /nfs/dbraw/zinc/54/46/53/606544653.db2.gz BVWJNLFZPPPNIN-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(C)CCC1 ZINC000822534912 606544655 /nfs/dbraw/zinc/54/46/55/606544655.db2.gz BVWJNLFZPPPNIN-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822259010 606576447 /nfs/dbraw/zinc/57/64/47/606576447.db2.gz JQACQZFZZSXTJR-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822259010 606576449 /nfs/dbraw/zinc/57/64/49/606576449.db2.gz JQACQZFZZSXTJR-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM COc1cccc(CCNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000821867359 606633386 /nfs/dbraw/zinc/63/33/86/606633386.db2.gz CXBBZTOFTYBXJJ-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cccc(CCNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000821867359 606633387 /nfs/dbraw/zinc/63/33/87/606633387.db2.gz CXBBZTOFTYBXJJ-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821669685 606805031 /nfs/dbraw/zinc/80/50/31/606805031.db2.gz XTHDOOXGZHKOMM-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821669685 606805034 /nfs/dbraw/zinc/80/50/34/606805034.db2.gz XTHDOOXGZHKOMM-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820957754 606929702 /nfs/dbraw/zinc/92/97/02/606929702.db2.gz PSWRJYHINRNNMQ-OLZOCXBDSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820957754 606929703 /nfs/dbraw/zinc/92/97/03/606929703.db2.gz PSWRJYHINRNNMQ-OLZOCXBDSA-N -1 1 331.376 2.012 20 0 EEADMM O[C@@]12CCCC[C@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000823697039 607034143 /nfs/dbraw/zinc/03/41/43/607034143.db2.gz IGFIYVZKEBKZOR-ISVAXAHUSA-N -1 1 340.840 2.108 20 0 EEADMM O[C@@]12CCCC[C@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000823697039 607034144 /nfs/dbraw/zinc/03/41/44/607034144.db2.gz IGFIYVZKEBKZOR-ISVAXAHUSA-N -1 1 340.840 2.108 20 0 EEADMM CN(C)C(=O)c1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825848475 607865839 /nfs/dbraw/zinc/86/58/39/607865839.db2.gz DAIHXKUWEOGSGS-UHFFFAOYSA-N -1 1 341.346 2.287 20 0 EEADMM CN(C)C(=O)c1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825848475 607865840 /nfs/dbraw/zinc/86/58/40/607865840.db2.gz DAIHXKUWEOGSGS-UHFFFAOYSA-N -1 1 341.346 2.287 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825153803 607998536 /nfs/dbraw/zinc/99/85/36/607998536.db2.gz KENMYMIMFAEFMC-AWEZNQCLSA-N -1 1 331.376 2.249 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2cn[nH]c2)c1-c1nnn[n-]1 ZINC000826353844 608189104 /nfs/dbraw/zinc/18/91/04/608189104.db2.gz GGRQICBFASZZMA-QMMMGPOBSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2cn[nH]c2)c1-c1nn[n-]n1 ZINC000826353844 608189107 /nfs/dbraw/zinc/18/91/07/608189107.db2.gz GGRQICBFASZZMA-QMMMGPOBSA-N -1 1 336.812 2.431 20 0 EEADMM CN1Cc2cc(Oc3snc(Cl)c3-c3nn[n-]n3)ccc2C1=O ZINC000826044231 608194467 /nfs/dbraw/zinc/19/44/67/608194467.db2.gz DAUJCNPBRVAXJB-UHFFFAOYSA-N -1 1 348.775 2.355 20 0 EEADMM FC(F)(F)COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826367851 608393846 /nfs/dbraw/zinc/39/38/46/608393846.db2.gz QWOLUBYXHGHUTJ-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826367851 608393847 /nfs/dbraw/zinc/39/38/47/608393847.db2.gz QWOLUBYXHGHUTJ-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM CC(C)[C@H](O)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824199070 608586241 /nfs/dbraw/zinc/58/62/41/608586241.db2.gz GUQKUVQDWGZHIF-QMMMGPOBSA-N -1 1 328.829 2.186 20 0 EEADMM CC(C)[C@H](O)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824199070 608586243 /nfs/dbraw/zinc/58/62/43/608586243.db2.gz GUQKUVQDWGZHIF-QMMMGPOBSA-N -1 1 328.829 2.186 20 0 EEADMM CC[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825052436 609290380 /nfs/dbraw/zinc/29/03/80/609290380.db2.gz WMVHEPOBIDHKHY-SECBINFHSA-N -1 1 329.339 2.176 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000826522155 609321838 /nfs/dbraw/zinc/32/18/38/609321838.db2.gz OGYIVRARLWHGFL-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000826522155 609321840 /nfs/dbraw/zinc/32/18/40/609321840.db2.gz OGYIVRARLWHGFL-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM CC[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825183232 609417028 /nfs/dbraw/zinc/41/70/28/609417028.db2.gz NXVGAFSIJJTXBF-ZYHUDNBSSA-N -1 1 331.376 2.106 20 0 EEADMM CCc1cnccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825740696 609433081 /nfs/dbraw/zinc/43/30/81/609433081.db2.gz YSJWSAXUNLXQAF-UHFFFAOYSA-N -1 1 332.371 2.379 20 0 EEADMM CCc1cnccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825740696 609433084 /nfs/dbraw/zinc/43/30/84/609433084.db2.gz YSJWSAXUNLXQAF-UHFFFAOYSA-N -1 1 332.371 2.379 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826345115 609470746 /nfs/dbraw/zinc/47/07/46/609470746.db2.gz CGWPOHVSPCHTMA-QMMMGPOBSA-N -1 1 346.778 2.236 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826345115 609470747 /nfs/dbraw/zinc/47/07/47/609470747.db2.gz CGWPOHVSPCHTMA-QMMMGPOBSA-N -1 1 346.778 2.236 20 0 EEADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc(Br)cc1[O-] ZINC000891052498 675992150 /nfs/dbraw/zinc/99/21/50/675992150.db2.gz ILGVDXHXADFKIU-VXGBXAGGSA-N -1 1 326.190 2.310 20 0 EEADMM CN(Cc1cccc2ccccc21)C(=O)Cc1sc(N)nc1[O-] ZINC000079481815 675437288 /nfs/dbraw/zinc/43/72/88/675437288.db2.gz YURYCVSKWXBGLR-CQSZACIVSA-N -1 1 327.409 2.145 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cnc1Cl ZINC000080782044 675469173 /nfs/dbraw/zinc/46/91/73/675469173.db2.gz LYOOXABREXQLQV-UHFFFAOYSA-N -1 1 343.767 2.082 20 0 EEADMM CC(C)[C@H](CC1CCCC1)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970165055 675607919 /nfs/dbraw/zinc/60/79/19/675607919.db2.gz OSEDYGSWFTXJBV-CABCVRRESA-N -1 1 349.479 2.053 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)Cc3cc(C)ccc3F)C2)c1[O-] ZINC000971365087 676503132 /nfs/dbraw/zinc/50/31/32/676503132.db2.gz BBXAHPODZFSXMD-CQSZACIVSA-N -1 1 346.406 2.218 20 0 EEADMM CCc1nc(CN[C@H]2C[C@@H](NC(=O)c3ccccc3O)C2)cs1 ZINC001021843374 676517995 /nfs/dbraw/zinc/51/79/95/676517995.db2.gz JIONGDLXNQWUDK-TXEJJXNPSA-N -1 1 331.441 2.462 20 0 EEADMM COCc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc(=O)[n-]1 ZINC000891504125 676677868 /nfs/dbraw/zinc/67/78/68/676677868.db2.gz PERCRKYNDQFPMG-UHFFFAOYSA-N -1 1 348.834 2.304 20 0 EEADMM CC(C)Oc1ncccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891619204 676726896 /nfs/dbraw/zinc/72/68/96/676726896.db2.gz YHBMLZSRIMOIGW-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM Cn1c(CNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)n[n-]c1=S ZINC000085588262 676798897 /nfs/dbraw/zinc/79/88/97/676798897.db2.gz ORRPMZWPFVAPJP-UHFFFAOYSA-N -1 1 329.389 2.189 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)CC1(C)OCCO1 ZINC000866853352 677871901 /nfs/dbraw/zinc/87/19/01/677871901.db2.gz XZGJQRHKVUIROI-SECBINFHSA-N -1 1 339.360 2.285 20 0 EEADMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000866861165 677922897 /nfs/dbraw/zinc/92/28/97/677922897.db2.gz HWPTWNCTTXVYPL-ZDUSSCGKSA-N -1 1 330.475 2.195 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c1Cl ZINC000135540934 678586634 /nfs/dbraw/zinc/58/66/34/678586634.db2.gz QSOHDLWPZFUIJX-UHFFFAOYSA-N -1 1 338.820 2.076 20 0 EEADMM CCC[C@@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)c1nn[n-]n1 ZINC000176792203 679178062 /nfs/dbraw/zinc/17/80/62/679178062.db2.gz GAZBMMFWAMLMIN-LLVKDONJSA-N -1 1 345.794 2.310 20 0 EEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000909536268 685319354 /nfs/dbraw/zinc/31/93/54/685319354.db2.gz QLSFTPYCTSSRNG-CABCVRRESA-N -1 1 341.411 2.107 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])c1ccsc1 ZINC000937362144 681344134 /nfs/dbraw/zinc/34/41/34/681344134.db2.gz IYMFTYABXKFUBW-ZDUSSCGKSA-N -1 1 345.424 2.273 20 0 EEADMM CC(C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000937103731 681409622 /nfs/dbraw/zinc/40/96/22/681409622.db2.gz BSDLUXQVFLWJTK-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1ccc(CNC(=O)CN2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC000261812634 681517009 /nfs/dbraw/zinc/51/70/09/681517009.db2.gz GPJXJZDWKGUXOM-CQSZACIVSA-N -1 1 336.407 2.327 20 0 EEADMM CC[C@@]1(C(C)C)C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199222 682296550 /nfs/dbraw/zinc/29/65/50/682296550.db2.gz QRIJWVKIJYQOGV-FORMXFIPSA-N -1 1 345.443 2.237 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1)c1ncccc1[O-] ZINC000973600308 682812595 /nfs/dbraw/zinc/81/25/95/682812595.db2.gz UUPNOQUGHKKNAK-GOOCMWNKSA-N -1 1 341.411 2.149 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)C1)c1ncccc1[O-] ZINC000983585800 682902471 /nfs/dbraw/zinc/90/24/71/682902471.db2.gz PGNUXEAZBZTCSQ-ZIAGYGMSSA-N -1 1 343.427 2.135 20 0 EEADMM O=C(N[C@H]1C[C@H](Nc2ncnc3ccccc32)C1)c1ncccc1[O-] ZINC001059201192 683200460 /nfs/dbraw/zinc/20/04/60/683200460.db2.gz VACPQAIVCAQOQM-HAQNSBGRSA-N -1 1 335.367 2.103 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC000992822387 683538787 /nfs/dbraw/zinc/53/87/87/683538787.db2.gz WUUOQNDBASCMLJ-ORAYPTAESA-N -1 1 345.443 2.144 20 0 EEADMM Cc1ccoc1C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983882153 683699439 /nfs/dbraw/zinc/69/94/39/683699439.db2.gz XIQDTDXMZAJXQY-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@@H](C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984114697 684114880 /nfs/dbraw/zinc/11/48/80/684114880.db2.gz HRGMELJOHYSFIY-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(CC(F)F)C1CCC1 ZINC000895146360 684116375 /nfs/dbraw/zinc/11/63/75/684116375.db2.gz KMZHPCQDMCHEBG-UHFFFAOYSA-N -1 1 338.358 2.240 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C[C@H]2C=CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984528291 684701797 /nfs/dbraw/zinc/70/17/97/684701797.db2.gz YLHNZPVDEKLHNV-SOUVJXGZSA-N -1 1 343.427 2.253 20 0 EEADMM COC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895897601 684767023 /nfs/dbraw/zinc/76/70/23/684767023.db2.gz DABQMTQLDILJFS-OAHLLOKOSA-N -1 1 329.352 2.419 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC000984641433 684934866 /nfs/dbraw/zinc/93/48/66/684934866.db2.gz VIKZXNREBQTVRP-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cnc(Br)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000311437927 685013415 /nfs/dbraw/zinc/01/34/15/685013415.db2.gz FQXHTVZWJZXZLN-UHFFFAOYSA-N -1 1 346.181 2.487 20 0 EEADMM O=C(CCC1CCC1)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515036 686276186 /nfs/dbraw/zinc/27/61/86/686276186.db2.gz PXESOSLLSBVPJI-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(C)CC(C(=O)NCC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001059515958 686283113 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328.420 2.245 20 0 EEADMM CSc1nc(CNC(=O)Cc2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC001412285529 1205684002 /nfs/dbraw/zinc/68/40/02/1205684002.db2.gz LYIAWHXQBIKHSB-UHFFFAOYSA-N -1 1 325.340 2.041 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001412540937 1205755949 /nfs/dbraw/zinc/75/59/49/1205755949.db2.gz LQXRSSXITXAFBX-HZSPNIEDSA-N -1 1 335.452 2.173 20 0 EEADMM CCCc1occc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001412614679 1205795014 /nfs/dbraw/zinc/79/50/14/1205795014.db2.gz VYIFFXNPYKEOLU-GFCCVEGCSA-N -1 1 345.399 2.223 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000924117540 1205935673 /nfs/dbraw/zinc/93/56/73/1205935673.db2.gz WVXONPWFRZGKKC-LBPRGKRZSA-N -1 1 333.432 2.477 20 0 EEADMM CC[S@](C)(=O)=NC([O-])=C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000925847388 1206159788 /nfs/dbraw/zinc/15/97/88/1206159788.db2.gz RJYHMYSUIIVMAJ-CWKPULSASA-N -1 1 344.380 2.236 20 0 EEADMM CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C(C)(C)C(=O)[O-] ZINC000929016299 1206438239 /nfs/dbraw/zinc/43/82/39/1206438239.db2.gz IMMYUMWNIOKLSP-LLVKDONJSA-N -1 1 327.450 2.246 20 0 EEADMM COCCCOCCN(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932049042 1207523425 /nfs/dbraw/zinc/52/34/25/1207523425.db2.gz RHISOTNCUAGYGI-UHFFFAOYSA-N -1 1 348.403 2.095 20 0 EEADMM C[C@@H]1COCC[C@@H]1CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932051222 1207524259 /nfs/dbraw/zinc/52/42/59/1207524259.db2.gz DLRJMGPVLXPGBU-CHWSQXEVSA-N -1 1 330.388 2.372 20 0 EEADMM COCCC1(C)CN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000932052873 1207524677 /nfs/dbraw/zinc/52/46/77/1207524677.db2.gz SAIXHVMQHRUXJI-UHFFFAOYSA-N -1 1 330.388 2.468 20 0 EEADMM CN(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000932055021 1207526138 /nfs/dbraw/zinc/52/61/38/1207526138.db2.gz WTNQLTMXPZVXRG-ZDUSSCGKSA-N -1 1 344.371 2.136 20 0 EEADMM Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)C[C@H]2C)o1 ZINC000947076725 1207547427 /nfs/dbraw/zinc/54/74/27/1207547427.db2.gz WMNDFUKXHJGHBH-OCCSQVGLSA-N -1 1 329.400 2.472 20 0 EEADMM Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000935020415 1208080759 /nfs/dbraw/zinc/08/07/59/1208080759.db2.gz BFACOTRCGZJEEZ-CQSZACIVSA-N -1 1 334.763 2.219 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cc2c(cccc2N(C)C)s1)c1nn[n-]n1 ZINC000935365598 1208140434 /nfs/dbraw/zinc/14/04/34/1208140434.db2.gz IVIKGACZMAZEJI-JTQLQIEISA-N -1 1 344.444 2.356 20 0 EEADMM O=C(c1ccsc1C(F)F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000935456780 1208156313 /nfs/dbraw/zinc/15/63/13/1208156313.db2.gz LRDONLDINKJUQB-SSDOTTSWSA-N -1 1 331.373 2.129 20 0 EEADMM CCc1cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc(Cl)n1 ZINC000935830443 1208227233 /nfs/dbraw/zinc/22/72/33/1208227233.db2.gz XTAVMYHXVIOEST-UHFFFAOYSA-N -1 1 336.779 2.406 20 0 EEADMM CCc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc(Cl)n1 ZINC000935830443 1208227236 /nfs/dbraw/zinc/22/72/36/1208227236.db2.gz XTAVMYHXVIOEST-UHFFFAOYSA-N -1 1 336.779 2.406 20 0 EEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H]1C[C@H](C)OC1=O ZINC000935986126 1208251951 /nfs/dbraw/zinc/25/19/51/1208251951.db2.gz MCHXQDUSGMRWEA-XVKPBYJWSA-N -1 1 333.718 2.261 20 0 EEADMM O=C(Nc1ccccc1)c1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC000778659407 1208315544 /nfs/dbraw/zinc/31/55/44/1208315544.db2.gz CQSGQLXFHMNLEC-UHFFFAOYSA-N -1 1 343.364 2.430 20 0 EEADMM O=C(N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC001015318747 1225098338 /nfs/dbraw/zinc/09/83/38/1225098338.db2.gz GIXILHUUEKMIAR-NEPJUHHUSA-N -1 1 345.424 2.177 20 0 EEADMM CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000948545172 1209210067 /nfs/dbraw/zinc/21/00/67/1209210067.db2.gz VXYFWMMQEBULLI-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC000949092980 1209532525 /nfs/dbraw/zinc/53/25/25/1209532525.db2.gz PPDYHHQNWZMRTF-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(NC[C@@H]1CCN1C(=O)[C@@H]1CCC=CCCC1)c1ncccc1[O-] ZINC000949541658 1209733993 /nfs/dbraw/zinc/73/39/93/1209733993.db2.gz MTVWBGTYLGFPFH-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1)c1ncccc1[O-] ZINC000951239810 1210695592 /nfs/dbraw/zinc/69/55/92/1210695592.db2.gz BJZOLRUMCRWQEL-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])c1cccc(Cl)c1 ZINC000952045856 1211187107 /nfs/dbraw/zinc/18/71/07/1211187107.db2.gz KSOMSMZWQDIDAZ-ZDUSSCGKSA-N -1 1 345.786 2.085 20 0 EEADMM CCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000952330905 1211362867 /nfs/dbraw/zinc/36/28/67/1211362867.db2.gz UPYZIURWPXKULS-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(CCCNC(=O)c1ncccc1[O-])c1nc(C2CC2)ns1 ZINC001095863014 1211552718 /nfs/dbraw/zinc/55/27/18/1211552718.db2.gz QZLUEGKNAMGYOF-UHFFFAOYSA-N -1 1 347.444 2.163 20 0 EEADMM CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC000952950980 1211632616 /nfs/dbraw/zinc/63/26/16/1211632616.db2.gz XSCLWOMNKWQTNX-LJQANCHMSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)C1 ZINC000953888250 1212190269 /nfs/dbraw/zinc/19/02/69/1212190269.db2.gz MDDCTVOIDZAXDC-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H]1CCCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954125640 1212474552 /nfs/dbraw/zinc/47/45/52/1212474552.db2.gz WNRXBXCASXFHOF-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cc(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)sc1C ZINC000955381430 1213037630 /nfs/dbraw/zinc/03/76/30/1213037630.db2.gz OIBUQALVAQRUCH-UHFFFAOYSA-N -1 1 345.424 2.062 20 0 EEADMM CC(C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-])=C1CCCC1 ZINC000955960502 1213436295 /nfs/dbraw/zinc/43/62/95/1213436295.db2.gz GXLARDITQUAEJN-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000956128933 1213548898 /nfs/dbraw/zinc/54/88/98/1213548898.db2.gz XOARBKCYJGJIDY-KKUMJFAQSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C)=C1CCC1 ZINC001012583864 1225465526 /nfs/dbraw/zinc/46/55/26/1225465526.db2.gz HAAKZQNZRDSUPO-RISCZKNCSA-N -1 1 329.400 2.007 20 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/nfs/dbraw/zinc/12/90/74/1216129074.db2.gz BMPQUCKSWJVBMQ-CYBMUJFWSA-N -1 1 335.404 2.260 20 0 EEADMM CCc1cnc(CN(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])o1 ZINC000960574127 1216697381 /nfs/dbraw/zinc/69/73/81/1216697381.db2.gz JDBRQMRHKRCZMR-ZDUSSCGKSA-N -1 1 344.415 2.074 20 0 EEADMM Cc1cnc(CN(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])s1 ZINC000960577995 1216700898 /nfs/dbraw/zinc/70/08/98/1216700898.db2.gz VEWMOWLFZBZLKI-ZDUSSCGKSA-N -1 1 346.456 2.289 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000963504543 1217681025 /nfs/dbraw/zinc/68/10/25/1217681025.db2.gz MYHLIWZCSSTLBG-KBPBESRZSA-N -1 1 345.443 2.429 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)c1cccs1)c1ncccc1[O-] ZINC000964417285 1218345064 /nfs/dbraw/zinc/34/50/64/1218345064.db2.gz PPPXUBBAGOBCNF-GFCCVEGCSA-N -1 1 345.424 2.273 20 0 EEADMM CC1(C)CC(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000964480968 1218401972 /nfs/dbraw/zinc/40/19/72/1218401972.db2.gz XCCMGGWMODGJKQ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964595672 1218475646 /nfs/dbraw/zinc/47/56/46/1218475646.db2.gz NPZMBFGBZXIRSK-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(C=C1CCC1)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000964827319 1218654594 /nfs/dbraw/zinc/65/45/94/1218654594.db2.gz DUZFZNWJSHEPSR-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)o1 ZINC000964851602 1218674843 /nfs/dbraw/zinc/67/48/43/1218674843.db2.gz XIFDBUSFGHQKGM-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM CCC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000965243173 1218983656 /nfs/dbraw/zinc/98/36/56/1218983656.db2.gz FDGCZUVGSRGSGO-GJZGRUSLSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1cncc(CN2CC[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000965942292 1219383544 /nfs/dbraw/zinc/38/35/44/1219383544.db2.gz XIGNWHLDGIVDTC-GDBMZVCRSA-N -1 1 340.427 2.131 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C1C(C)(C)C1(C)C ZINC000966347960 1219694421 /nfs/dbraw/zinc/69/44/21/1219694421.db2.gz LDJZHRIQWOHXTC-RYUDHWBXSA-N -1 1 345.443 2.046 20 0 EEADMM CN(C[C@H]1CCCN(C(=O)C2=CCCC2)C1)C(=O)c1ncccc1[O-] ZINC000966462671 1219769941 /nfs/dbraw/zinc/76/99/41/1219769941.db2.gz NHOCFMKMWNAWDP-CQSZACIVSA-N -1 1 343.427 2.208 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1=CCCC1 ZINC000967003614 1220189510 /nfs/dbraw/zinc/18/95/10/1220189510.db2.gz FMOUEAJRUMQNIT-HNNXBMFYSA-N -1 1 343.427 2.254 20 0 EEADMM CCCC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001013914728 1225999595 /nfs/dbraw/zinc/99/95/95/1225999595.db2.gz YOOZGINBVGZHTE-CABCVRRESA-N -1 1 345.443 2.431 20 0 EEADMM CCCC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001013914734 1225999846 /nfs/dbraw/zinc/99/98/46/1225999846.db2.gz YOOZGINBVGZHTE-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)[C@H]1CCCC[C@H]1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968301664 1221190885 /nfs/dbraw/zinc/19/08/85/1221190885.db2.gz ZTXABUJPQIGILX-HIFRSBDPSA-N -1 1 345.443 2.286 20 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C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1nccn1-c1ccccc1 ZINC001609127172 1351852613 /nfs/dbraw/zinc/85/26/13/1351852613.db2.gz XTCQSKOENNGQAE-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001609127164 1351853131 /nfs/dbraw/zinc/85/31/31/1351853131.db2.gz WYHWQTYMNWSIEA-RYUDHWBXSA-N -1 1 349.398 2.040 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001609127164 1351853135 /nfs/dbraw/zinc/85/31/35/1351853135.db2.gz WYHWQTYMNWSIEA-RYUDHWBXSA-N -1 1 349.398 2.040 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@@H]1F ZINC001609168944 1351874882 /nfs/dbraw/zinc/87/48/82/1351874882.db2.gz RXAVUKLPKRRISR-APPZFPTMSA-N -1 1 330.289 2.465 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@@H]1F ZINC001609168944 1351874883 /nfs/dbraw/zinc/87/48/83/1351874883.db2.gz RXAVUKLPKRRISR-APPZFPTMSA-N -1 1 330.289 2.465 20 0 EEADMM CCCCO[C@@H]1C[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001609210661 1351893979 /nfs/dbraw/zinc/89/39/79/1351893979.db2.gz IHVXLOZWGBJAMU-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCCCO[C@@H]1C[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001609210661 1351893983 /nfs/dbraw/zinc/89/39/83/1351893983.db2.gz IHVXLOZWGBJAMU-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609251853 1351909649 /nfs/dbraw/zinc/90/96/49/1351909649.db2.gz BKWZXINVERWYJL-SNVBAGLBSA-N -1 1 340.339 2.450 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609311473 1351928752 /nfs/dbraw/zinc/92/87/52/1351928752.db2.gz VPWPMLRHFRKXTC-HZMBPMFUSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609311473 1351928753 /nfs/dbraw/zinc/92/87/53/1351928753.db2.gz VPWPMLRHFRKXTC-HZMBPMFUSA-N -1 1 343.366 2.292 20 0 EEADMM Cc1cc(C)c(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001609397192 1351959771 /nfs/dbraw/zinc/95/97/71/1351959771.db2.gz JXIKFVLZNAHQTJ-UHFFFAOYSA-N -1 1 333.298 2.285 20 0 EEADMM Cc1cc(C)c(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001609397192 1351959773 /nfs/dbraw/zinc/95/97/73/1351959773.db2.gz JXIKFVLZNAHQTJ-UHFFFAOYSA-N -1 1 333.298 2.285 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC001609433542 1351975353 /nfs/dbraw/zinc/97/53/53/1351975353.db2.gz KTJQOZLUGBVJGC-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)COc1cccc(C)c1 ZINC001609433542 1351975356 /nfs/dbraw/zinc/97/53/56/1351975356.db2.gz KTJQOZLUGBVJGC-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1csc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC001609442269 1351979503 /nfs/dbraw/zinc/97/95/03/1351979503.db2.gz ZFPFQXKIWNQJAE-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1csc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC001609442269 1351979505 /nfs/dbraw/zinc/97/95/05/1351979505.db2.gz ZFPFQXKIWNQJAE-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1oc(-c2cccs2)nc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001609466116 1351988092 /nfs/dbraw/zinc/98/80/92/1351988092.db2.gz DGFIBMFYRLNOBA-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCOCc1ccccc1 ZINC001609468062 1351988904 /nfs/dbraw/zinc/98/89/04/1351988904.db2.gz ZHIQOSURIOYJME-UHFFFAOYSA-N -1 1 341.371 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCOCc1ccccc1 ZINC001609468062 1351988907 /nfs/dbraw/zinc/98/89/07/1351988907.db2.gz ZHIQOSURIOYJME-UHFFFAOYSA-N -1 1 341.371 2.105 20 0 EEADMM Clc1ccc(NCCc2ccc3c[nH]nc3c2)nc1-c1nnn[n-]1 ZINC001609473372 1351990717 /nfs/dbraw/zinc/99/07/17/1351990717.db2.gz DWICDPHUMYNHPZ-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc(NCCc2ccc3c[nH]nc3c2)nc1-c1nn[n-]n1 ZINC001609473372 1351990718 /nfs/dbraw/zinc/99/07/18/1351990718.db2.gz DWICDPHUMYNHPZ-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1(Cc2ccccc2)CC1 ZINC001609577360 1352023153 /nfs/dbraw/zinc/02/31/53/1352023153.db2.gz JBACHTXPYGVKRI-UHFFFAOYSA-N -1 1 335.367 2.328 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1(Cc2ccccc2)CC1 ZINC001609577360 1352023158 /nfs/dbraw/zinc/02/31/58/1352023158.db2.gz JBACHTXPYGVKRI-UHFFFAOYSA-N -1 1 335.367 2.328 20 0 EEADMM O=C(OCc1csc(Cl)n1)c1ccc(-c2nnn[n-]2)s1 ZINC001609578221 1352024037 /nfs/dbraw/zinc/02/40/37/1352024037.db2.gz DZKNFMDTORWMJD-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM O=C(OCc1csc(Cl)n1)c1ccc(-c2nn[n-]n2)s1 ZINC001609578221 1352024041 /nfs/dbraw/zinc/02/40/41/1352024041.db2.gz DZKNFMDTORWMJD-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(C2CCCC2)CC1 ZINC001609583557 1352027598 /nfs/dbraw/zinc/02/75/98/1352027598.db2.gz FCTXBTGSVDHXRH-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(C2CCCC2)CC1 ZINC001609583557 1352027602 /nfs/dbraw/zinc/02/76/02/1352027602.db2.gz FCTXBTGSVDHXRH-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O=S(=O)(Oc1cccc2c1CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001609596907 1352029681 /nfs/dbraw/zinc/02/96/81/1352029681.db2.gz QJWFKTPRNDYYCN-UHFFFAOYSA-N -1 1 346.368 2.106 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)[C@H]3CCOC[C@@H]23)cc1 ZINC001609617187 1352040919 /nfs/dbraw/zinc/04/09/19/1352040919.db2.gz ZMBWPNJSKKQCPY-BQFCYCMXSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)[C@H]3CCOC[C@@H]23)cc1 ZINC001609617187 1352040920 /nfs/dbraw/zinc/04/09/20/1352040920.db2.gz ZMBWPNJSKKQCPY-BQFCYCMXSA-N -1 1 348.410 2.271 20 0 EEADMM c1csc([C@H]2CSCCN2Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609614047 1352038920 /nfs/dbraw/zinc/03/89/20/1352038920.db2.gz TZPNYZVAWRTQTL-GFCCVEGCSA-N -1 1 345.457 2.008 20 0 EEADMM c1csc([C@H]2CSCCN2Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609614047 1352038927 /nfs/dbraw/zinc/03/89/27/1352038927.db2.gz TZPNYZVAWRTQTL-GFCCVEGCSA-N -1 1 345.457 2.008 20 0 EEADMM c1ccc(-c2nnc(Sc3cc(-c4nnn[n-]4)ncn3)s2)cc1 ZINC001609615936 1352039859 /nfs/dbraw/zinc/03/98/59/1352039859.db2.gz CXKAYIKGXOHGSE-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM c1ccc(-c2nnc(Sc3cc(-c4nn[n-]n4)ncn3)s2)cc1 ZINC001609615936 1352039865 /nfs/dbraw/zinc/03/98/65/1352039865.db2.gz CXKAYIKGXOHGSE-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM c1nc(NCCCc2nc3c(s2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001609620851 1352042653 /nfs/dbraw/zinc/04/26/53/1352042653.db2.gz GVJCDAUVQRZZND-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM c1nc(NCCCc2nc3c(s2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001609620851 1352042657 /nfs/dbraw/zinc/04/26/57/1352042657.db2.gz GVJCDAUVQRZZND-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM c1coc(-c2nc(CNCc3nc(-c4nnn[n-]4)cs3)cs2)c1 ZINC001609619744 1352042988 /nfs/dbraw/zinc/04/29/88/1352042988.db2.gz ACGDNEMGBCLHKL-UHFFFAOYSA-N -1 1 345.413 2.330 20 0 EEADMM c1coc(-c2nc(CNCc3nc(-c4nn[n-]n4)cs3)cs2)c1 ZINC001609619744 1352042993 /nfs/dbraw/zinc/04/29/93/1352042993.db2.gz ACGDNEMGBCLHKL-UHFFFAOYSA-N -1 1 345.413 2.330 20 0 EEADMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001609623129 1352043675 /nfs/dbraw/zinc/04/36/75/1352043675.db2.gz HWEWZGHUZZNLHM-GFCCVEGCSA-N -1 1 346.387 2.347 20 0 EEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC001609704778 1352063665 /nfs/dbraw/zinc/06/36/65/1352063665.db2.gz AHMRDWZCIJSBJN-MRXNPFEDSA-N -1 1 331.416 2.278 20 0 EEADMM CC[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(=O)[O-] ZINC001609931648 1352122831 /nfs/dbraw/zinc/12/28/31/1352122831.db2.gz NLCQDJZZAHDGSV-STQMWFEESA-N -1 1 342.342 2.236 20 0 EEADMM CC[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1c(C)nn(C)c1C ZINC001609933019 1352122999 /nfs/dbraw/zinc/12/29/99/1352122999.db2.gz IBXPUUXWWSHXPT-OAHLLOKOSA-N -1 1 344.415 2.415 20 0 EEADMM CC[C@H](C)Oc1ccccc1C=CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347973106 1337528605 /nfs/dbraw/zinc/52/86/05/1337528605.db2.gz BSMXPDQIIQPWGS-YPSPLPASSA-N -1 1 341.415 2.406 20 0 EEADMM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001349797913 1337648127 /nfs/dbraw/zinc/64/81/27/1337648127.db2.gz ITQJDUDSMWJKSD-QWHCGFSZSA-N -1 1 345.424 2.464 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1nc2cccc(F)c2s1 ZINC001100071155 1337978764 /nfs/dbraw/zinc/97/87/64/1337978764.db2.gz WVVBGRCPVKXTHS-UHFFFAOYSA-N -1 1 346.387 2.402 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2ccccc2)c(OC)c1C(=O)[O-] ZINC001610346284 1352208833 /nfs/dbraw/zinc/20/88/33/1352208833.db2.gz AABHMEFMBKMBQI-UHFFFAOYSA-N -1 1 337.353 2.203 20 0 EEADMM Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC001610462612 1352227275 /nfs/dbraw/zinc/22/72/75/1352227275.db2.gz XIVAASBKWGARKV-XHDPSFHLSA-N -1 1 335.400 2.309 20 0 EEADMM Cc1sc(NC(=O)CN(C)C[C@@H]2CCC[C@H]2O)c(C(=O)[O-])c1C ZINC001610590404 1352250301 /nfs/dbraw/zinc/25/03/01/1352250301.db2.gz BRLMPUYHXCTUQT-NWDGAFQWSA-N -1 1 340.445 2.094 20 0 EEADMM Cc1sc(NC(=O)CN(C)CC2CCOCC2)c(C(=O)[O-])c1C ZINC001610591681 1352250476 /nfs/dbraw/zinc/25/04/76/1352250476.db2.gz MUJNBQHEUAEIPH-UHFFFAOYSA-N -1 1 340.445 2.360 20 0 EEADMM Cn1nccc1-c1ccccc1CN1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001610615514 1352254183 /nfs/dbraw/zinc/25/41/83/1352254183.db2.gz WEKMPAHVUBAUDL-UHFFFAOYSA-N -1 1 337.383 2.067 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001610734553 1352266804 /nfs/dbraw/zinc/26/68/04/1352266804.db2.gz BPDHHWKQFRBCRK-DZGCQCFKSA-N -1 1 339.819 2.396 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001428515678 1339545259 /nfs/dbraw/zinc/54/52/59/1339545259.db2.gz FZYOIVDQRUWRNE-CHWSQXEVSA-N -1 1 327.384 2.114 20 0 EEADMM O=C([O-])CCCCCCNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC001610769174 1352271567 /nfs/dbraw/zinc/27/15/67/1352271567.db2.gz VEUONGNLPJCJNL-UHFFFAOYSA-N -1 1 349.412 2.389 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCC(=O)c4cccn43)[nH]c21 ZINC001610849830 1352285244 /nfs/dbraw/zinc/28/52/44/1352285244.db2.gz BFZLOTKRLCEOHG-LBPRGKRZSA-N -1 1 338.323 2.219 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1CCCC1 ZINC001433039591 1341474547 /nfs/dbraw/zinc/47/45/47/1341474547.db2.gz NMNVRNHUFSUZIF-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM COC(=O)C1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCCC1 ZINC001433598804 1341634433 /nfs/dbraw/zinc/63/44/33/1341634433.db2.gz XMBBUXDSYQSCSD-UHFFFAOYSA-N -1 1 333.388 2.055 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)CCCc1nn[n-]n1 ZINC001434432175 1341843468 /nfs/dbraw/zinc/84/34/68/1341843468.db2.gz SUGSXNPJZTWWEU-ZDUSSCGKSA-N -1 1 331.424 2.006 20 0 EEADMM CSc1nc(CNc2ncncc2Br)cc(=O)[n-]1 ZINC001434446072 1341845805 /nfs/dbraw/zinc/84/58/05/1341845805.db2.gz LUGRWTJMEQZYOJ-UHFFFAOYSA-N -1 1 328.195 2.069 20 0 EEADMM O=C(NCCN(Cc1n[nH]c(=O)[n-]1)C1CCCCCC1)c1ccco1 ZINC001446303026 1342080855 /nfs/dbraw/zinc/08/08/55/1342080855.db2.gz ZGPUOBLXLPCNGA-UHFFFAOYSA-N -1 1 347.419 2.058 20 0 EEADMM CN(C)c1nc([C@@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1 ZINC001553874940 1342378050 /nfs/dbraw/zinc/37/80/50/1342378050.db2.gz VDOZSBRXOFITCK-GFCCVEGCSA-N -1 1 338.415 2.114 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cccc2ccn(C)c21)c1nn[n-]n1 ZINC001562626007 1342539253 /nfs/dbraw/zinc/53/92/53/1342539253.db2.gz DMHSAVSLMBEDKU-LBPRGKRZSA-N -1 1 345.432 2.307 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576098470 1343965469 /nfs/dbraw/zinc/96/54/69/1343965469.db2.gz UXUIJJSWIFWOQQ-PXIYARARSA-N -1 1 333.342 2.167 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576098470 1343965470 /nfs/dbraw/zinc/96/54/70/1343965470.db2.gz UXUIJJSWIFWOQQ-PXIYARARSA-N -1 1 333.342 2.167 20 0 EEADMM CC[C@@H](C)Oc1cc(NCc2ccnc(-c3nnn[n-]3)c2)nc(C)n1 ZINC001576682166 1344047710 /nfs/dbraw/zinc/04/77/10/1344047710.db2.gz BLPQKCNMOIODLS-SNVBAGLBSA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](C)Oc1cc(NCc2ccnc(-c3nn[n-]n3)c2)nc(C)n1 ZINC001576682166 1344047714 /nfs/dbraw/zinc/04/77/14/1344047714.db2.gz BLPQKCNMOIODLS-SNVBAGLBSA-N -1 1 340.391 2.150 20 0 EEADMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1[N+](=O)[O-] ZINC000018269220 1344219078 /nfs/dbraw/zinc/21/90/78/1344219078.db2.gz KOESEPFMLKUCEA-UHFFFAOYSA-N -1 1 347.279 2.054 20 0 EEADMM COc1cc(Oc2cc(-c3nnn[n-]3)ncn2)ccc1Br ZINC001579937212 1344436657 /nfs/dbraw/zinc/43/66/57/1344436657.db2.gz FQSXZMGMQPGSII-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1cc(Oc2cc(-c3nn[n-]n3)ncn2)ccc1Br ZINC001579937212 1344436659 /nfs/dbraw/zinc/43/66/59/1344436659.db2.gz FQSXZMGMQPGSII-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1C1CC1 ZINC001579988447 1344443812 /nfs/dbraw/zinc/44/38/12/1344443812.db2.gz IXSMKAGLRRXSOE-UHFFFAOYSA-N -1 1 336.355 2.400 20 0 EEADMM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1C1CC1 ZINC001579988447 1344443813 /nfs/dbraw/zinc/44/38/13/1344443813.db2.gz IXSMKAGLRRXSOE-UHFFFAOYSA-N -1 1 336.355 2.400 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(C(F)(F)F)nc1 ZINC001580441012 1344520914 /nfs/dbraw/zinc/52/09/14/1344520914.db2.gz GICTZSPIPXIGSU-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(C(F)(F)F)nc1 ZINC001580441012 1344520916 /nfs/dbraw/zinc/52/09/16/1344520916.db2.gz GICTZSPIPXIGSU-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC001580603999 1344542194 /nfs/dbraw/zinc/54/21/94/1344542194.db2.gz ZDHILNHCVQAJJZ-NEPJUHHUSA-N -1 1 344.419 2.220 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581436564 1344625210 /nfs/dbraw/zinc/62/52/10/1344625210.db2.gz CPPOGWTXHNATBC-UHFFFAOYSA-N -1 1 343.416 2.080 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581436564 1344625219 /nfs/dbraw/zinc/62/52/19/1344625219.db2.gz CPPOGWTXHNATBC-UHFFFAOYSA-N -1 1 343.416 2.080 20 0 EEADMM Cc1nc(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc(-c2nnn[n-]2)n1 ZINC001581525225 1344634690 /nfs/dbraw/zinc/63/46/90/1344634690.db2.gz YRCKJNQIIULQKO-BXUZGUMPSA-N -1 1 343.341 2.426 20 0 EEADMM Cc1nc(NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc(-c2nn[n-]n2)n1 ZINC001581525225 1344634696 /nfs/dbraw/zinc/63/46/96/1344634696.db2.gz YRCKJNQIIULQKO-BXUZGUMPSA-N -1 1 343.341 2.426 20 0 EEADMM Cc1nccc2c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cccc12 ZINC001581557338 1344638540 /nfs/dbraw/zinc/63/85/40/1344638540.db2.gz MXBSZVVXNVWNJB-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1nccc2c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cccc12 ZINC001581557338 1344638547 /nfs/dbraw/zinc/63/85/47/1344638547.db2.gz MXBSZVVXNVWNJB-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1occ(C(F)(F)F)c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581729883 1344658346 /nfs/dbraw/zinc/65/83/46/1344658346.db2.gz SYDVXRPLNPTTFG-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1occ(C(F)(F)F)c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581729883 1344658352 /nfs/dbraw/zinc/65/83/52/1344658352.db2.gz SYDVXRPLNPTTFG-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cn1nc(C(F)(F)F)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001581823882 1344673270 /nfs/dbraw/zinc/67/32/70/1344673270.db2.gz YNVQMOCEFIIGRX-UHFFFAOYSA-N -1 1 342.256 2.337 20 0 EEADMM Cn1nc(C(F)(F)F)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001581823882 1344673275 /nfs/dbraw/zinc/67/32/75/1344673275.db2.gz YNVQMOCEFIIGRX-UHFFFAOYSA-N -1 1 342.256 2.337 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001582338207 1344736576 /nfs/dbraw/zinc/73/65/76/1344736576.db2.gz ZDSWGISURAJWTI-ZANVPECISA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001582338207 1344736580 /nfs/dbraw/zinc/73/65/80/1344736580.db2.gz ZDSWGISURAJWTI-ZANVPECISA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cnc(C2CC2)s1 ZINC001582551366 1344761732 /nfs/dbraw/zinc/76/17/32/1344761732.db2.gz GXSQCDSZECZRRZ-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1cccc(Cl)c1 ZINC001582559620 1344763340 /nfs/dbraw/zinc/76/33/40/1344763340.db2.gz WRQNELYNYSOGOP-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1cccc(Cl)c1 ZINC001582559620 1344763343 /nfs/dbraw/zinc/76/33/43/1344763343.db2.gz WRQNELYNYSOGOP-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=S(=O)([N-]C1CC(O)C1)c1c(Cl)cc(Cl)cc1Cl ZINC000091426432 1357217085 /nfs/dbraw/zinc/21/70/85/1357217085.db2.gz SEVRSMKCCYIKMF-UHFFFAOYSA-N -1 1 330.620 2.448 20 0 EEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCC(C)(C)F)c1F ZINC000849457223 1373258878 /nfs/dbraw/zinc/25/88/78/1373258878.db2.gz PEFPINZLLQMDIG-UHFFFAOYSA-N -1 1 339.335 2.168 20 0 EEADMM CC(=CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)c1ccco1 ZINC001588754931 1348931980 /nfs/dbraw/zinc/93/19/80/1348931980.db2.gz FYRVOVPVEDWGRD-BQYQJAHWSA-N -1 1 330.373 2.291 20 0 EEADMM CC(=CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)c1ccco1 ZINC001588754931 1348931983 /nfs/dbraw/zinc/93/19/83/1348931983.db2.gz FYRVOVPVEDWGRD-BQYQJAHWSA-N -1 1 330.373 2.291 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1C ZINC001588883725 1348940806 /nfs/dbraw/zinc/94/08/06/1348940806.db2.gz GNELMLPKZVTFRL-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001588883725 1348940808 /nfs/dbraw/zinc/94/08/08/1348940808.db2.gz GNELMLPKZVTFRL-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(C)(C)OC(=O)N1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001589168171 1348966473 /nfs/dbraw/zinc/96/64/73/1348966473.db2.gz UWEDUECIFGGJPJ-UHFFFAOYSA-N -1 1 336.421 2.286 20 0 EEADMM CC(C)(C)n1nnc(CCSc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589263997 1348976561 /nfs/dbraw/zinc/97/65/61/1348976561.db2.gz JFXCGTSKNCRPOY-UHFFFAOYSA-N -1 1 348.411 2.082 20 0 EEADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC001589737064 1349026320 /nfs/dbraw/zinc/02/63/20/1349026320.db2.gz HCDCGUDOWIFXDU-OLZOCXBDSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC001589737064 1349026321 /nfs/dbraw/zinc/02/63/21/1349026321.db2.gz HCDCGUDOWIFXDU-OLZOCXBDSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)c1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)no1 ZINC001589767861 1349033787 /nfs/dbraw/zinc/03/37/87/1349033787.db2.gz QPWURSOXPHYQIZ-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM CC(C)c1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)no1 ZINC001589767861 1349033793 /nfs/dbraw/zinc/03/37/93/1349033793.db2.gz QPWURSOXPHYQIZ-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM C[C@@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccc1 ZINC001589794270 1349044974 /nfs/dbraw/zinc/04/49/74/1349044974.db2.gz JZNIRNIITHAHRZ-ZETCQYMHSA-N -1 1 337.796 2.368 20 0 EEADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)c1nccn1-c1ccccc1 ZINC001589990235 1349095288 /nfs/dbraw/zinc/09/52/88/1349095288.db2.gz PBOKXEKDFOJUEQ-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590138348 1349171482 /nfs/dbraw/zinc/17/14/82/1349171482.db2.gz BYFXDHMGLRYWNY-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590138348 1349171486 /nfs/dbraw/zinc/17/14/86/1349171486.db2.gz BYFXDHMGLRYWNY-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM CC1=C(c2ccco2)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590158307 1349179237 /nfs/dbraw/zinc/17/92/37/1349179237.db2.gz XITREKBVWVSNCS-UHFFFAOYSA-N -1 1 336.355 2.174 20 0 EEADMM CC1=C(c2ccco2)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590158307 1349179244 /nfs/dbraw/zinc/17/92/44/1349179244.db2.gz XITREKBVWVSNCS-UHFFFAOYSA-N -1 1 336.355 2.174 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590214025 1349203897 /nfs/dbraw/zinc/20/38/97/1349203897.db2.gz IBPWSZWJVJZKQG-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590214025 1349203902 /nfs/dbraw/zinc/20/39/02/1349203902.db2.gz IBPWSZWJVJZKQG-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001590235683 1349216978 /nfs/dbraw/zinc/21/69/78/1349216978.db2.gz ABLZTWLPTDBNJC-BBBLOLIVSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001590235683 1349216983 /nfs/dbraw/zinc/21/69/83/1349216983.db2.gz ABLZTWLPTDBNJC-BBBLOLIVSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCCCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590261721 1349238112 /nfs/dbraw/zinc/23/81/12/1349238112.db2.gz VWUKHQALYAKLKT-MRVPVSSYSA-N -1 1 340.309 2.295 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590438477 1349326220 /nfs/dbraw/zinc/32/62/20/1349326220.db2.gz DFZLPXCXBOJTFZ-CQSZACIVSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590438477 1349326225 /nfs/dbraw/zinc/32/62/25/1349326225.db2.gz DFZLPXCXBOJTFZ-CQSZACIVSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590449718 1349330757 /nfs/dbraw/zinc/33/07/57/1349330757.db2.gz FHYRULSMEIRXEY-CQSZACIVSA-N -1 1 336.399 2.493 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590449718 1349330763 /nfs/dbraw/zinc/33/07/63/1349330763.db2.gz FHYRULSMEIRXEY-CQSZACIVSA-N -1 1 336.399 2.493 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC1(C)C ZINC001590470003 1349344743 /nfs/dbraw/zinc/34/47/43/1349344743.db2.gz NAZYYBSWHTULHI-DTWKUNHWSA-N -1 1 341.462 2.031 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC1(C)C ZINC001590470003 1349344748 /nfs/dbraw/zinc/34/47/48/1349344748.db2.gz NAZYYBSWHTULHI-DTWKUNHWSA-N -1 1 341.462 2.031 20 0 EEADMM CCn1cnc2c1CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC001590963332 1349424844 /nfs/dbraw/zinc/42/48/44/1349424844.db2.gz AXHPGTBFDNKZOK-UHFFFAOYSA-N -1 1 346.398 2.194 20 0 EEADMM COC(=O)c1cc(C)ccc1OC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591287805 1349456278 /nfs/dbraw/zinc/45/62/78/1349456278.db2.gz IIDCHAQJPWZCMS-UHFFFAOYSA-N -1 1 342.311 2.082 20 0 EEADMM COC(=O)c1cc(C)ccc1OC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591287805 1349456282 /nfs/dbraw/zinc/45/62/82/1349456282.db2.gz IIDCHAQJPWZCMS-UHFFFAOYSA-N -1 1 342.311 2.082 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001591620429 1349516996 /nfs/dbraw/zinc/51/69/96/1349516996.db2.gz UVGJXRCENICXLX-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)o1)C[C@H](C)O2 ZINC001592205748 1349608581 /nfs/dbraw/zinc/60/85/81/1349608581.db2.gz PZBGKQWZIDOSKA-JTQLQIEISA-N -1 1 325.328 2.196 20 0 EEADMM Cc1cccc(C2(C(=O)n3ncc(-c4nn[n-]n4)c3N)CCCC2)c1 ZINC001592225107 1349612316 /nfs/dbraw/zinc/61/23/16/1349612316.db2.gz WBCWZDJYXKRCNJ-UHFFFAOYSA-N -1 1 337.387 2.106 20 0 EEADMM Cc1csc([C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C2CC2)n1 ZINC001592314113 1349620026 /nfs/dbraw/zinc/62/00/26/1349620026.db2.gz ZUWVCNUPLATDEC-GFCCVEGCSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1csc([C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C2CC2)n1 ZINC001592314113 1349620027 /nfs/dbraw/zinc/62/00/27/1349620027.db2.gz ZUWVCNUPLATDEC-GFCCVEGCSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1csc(C[C@H]2CCN(c3ccc(C)c(-c4nnn[n-]4)n3)C2)n1 ZINC001592313117 1349620065 /nfs/dbraw/zinc/62/00/65/1349620065.db2.gz BYLLCCBHINXAHA-GFCCVEGCSA-N -1 1 341.444 2.404 20 0 EEADMM Cc1csc(C[C@H]2CCN(c3ccc(C)c(-c4nn[n-]n4)n3)C2)n1 ZINC001592313117 1349620068 /nfs/dbraw/zinc/62/00/68/1349620068.db2.gz BYLLCCBHINXAHA-GFCCVEGCSA-N -1 1 341.444 2.404 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC001592480083 1349635322 /nfs/dbraw/zinc/63/53/22/1349635322.db2.gz SWIMVIIONMCHKQ-NSCUHMNNSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC001592480083 1349635331 /nfs/dbraw/zinc/63/53/31/1349635331.db2.gz SWIMVIIONMCHKQ-NSCUHMNNSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(N2CCO[C@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC001592476377 1349635364 /nfs/dbraw/zinc/63/53/64/1349635364.db2.gz FPALFXIDBCRAES-LBPRGKRZSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC001592479695 1349635958 /nfs/dbraw/zinc/63/59/58/1349635958.db2.gz DPSPMMYEEPQRFK-UHFFFAOYSA-N -1 1 349.342 2.484 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC001592479695 1349635959 /nfs/dbraw/zinc/63/59/59/1349635959.db2.gz DPSPMMYEEPQRFK-UHFFFAOYSA-N -1 1 349.342 2.484 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592510557 1349643637 /nfs/dbraw/zinc/64/36/37/1349643637.db2.gz RALMXYZXIXRKOU-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592510557 1349643638 /nfs/dbraw/zinc/64/36/38/1349643638.db2.gz RALMXYZXIXRKOU-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Clc1cc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)ccn1 ZINC001592526365 1349647498 /nfs/dbraw/zinc/64/74/98/1349647498.db2.gz VHRZALKXQNJKBB-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Clc1ccc(N2CCC[C@H]2c2ncccn2)nc1-c1nnn[n-]1 ZINC001592532953 1349649777 /nfs/dbraw/zinc/64/97/77/1349649777.db2.gz XVEWVYWIOURZQI-JTQLQIEISA-N -1 1 328.767 2.047 20 0 EEADMM Clc1ccc(N2CCC[C@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592532953 1349649790 /nfs/dbraw/zinc/64/97/90/1349649790.db2.gz XVEWVYWIOURZQI-JTQLQIEISA-N -1 1 328.767 2.047 20 0 EEADMM Clc1nsc(N2CCOc3ccccc3C2)c1-c1nnn[n-]1 ZINC001592538360 1349652018 /nfs/dbraw/zinc/65/20/18/1349652018.db2.gz QWCHYLDTFUSBIC-UHFFFAOYSA-N -1 1 334.792 2.376 20 0 EEADMM Clc1nsc(N2CCOc3ccccc3C2)c1-c1nn[n-]n1 ZINC001592538360 1349652022 /nfs/dbraw/zinc/65/20/22/1349652022.db2.gz QWCHYLDTFUSBIC-UHFFFAOYSA-N -1 1 334.792 2.376 20 0 EEADMM Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1-c1ccccc1 ZINC001592600956 1349668533 /nfs/dbraw/zinc/66/85/33/1349668533.db2.gz KCJSSINDYZVELH-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Nc1c(Cl)cc(F)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592754982 1349712344 /nfs/dbraw/zinc/71/23/44/1349712344.db2.gz RMCBXLYFJRRSPU-UHFFFAOYSA-N -1 1 348.725 2.199 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1sc2ccccc2c1Cl ZINC001592753336 1349713166 /nfs/dbraw/zinc/71/31/66/1349713166.db2.gz UUJUKQLTDMPTQW-UHFFFAOYSA-N -1 1 345.775 2.202 20 0 EEADMM O=C(COC1CCCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592885264 1349721934 /nfs/dbraw/zinc/72/19/34/1349721934.db2.gz LMCVDOPREYEFBW-UHFFFAOYSA-N -1 1 342.812 2.264 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592955236 1349729789 /nfs/dbraw/zinc/72/97/89/1349729789.db2.gz LZOVXUSSXSVRGV-LBPRGKRZSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592955236 1349729792 /nfs/dbraw/zinc/72/97/92/1349729792.db2.gz LZOVXUSSXSVRGV-LBPRGKRZSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995718 1349732208 /nfs/dbraw/zinc/73/22/08/1349732208.db2.gz ISSRRLWWKCDUQI-LBPRGKRZSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995718 1349732210 /nfs/dbraw/zinc/73/22/10/1349732210.db2.gz ISSRRLWWKCDUQI-LBPRGKRZSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001593336813 1349783803 /nfs/dbraw/zinc/78/38/03/1349783803.db2.gz DDUZWSAYVFOWGI-VIFPVBQESA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001593336813 1349783807 /nfs/dbraw/zinc/78/38/07/1349783807.db2.gz DDUZWSAYVFOWGI-VIFPVBQESA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC[C@@H]1Cc1ccccc1 ZINC001593348714 1349788398 /nfs/dbraw/zinc/78/83/98/1349788398.db2.gz MXAFJQYRUZIBTO-OAHLLOKOSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1Cc1ccccc1 ZINC001593348714 1349788401 /nfs/dbraw/zinc/78/84/01/1349788401.db2.gz MXAFJQYRUZIBTO-OAHLLOKOSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001593361990 1349790582 /nfs/dbraw/zinc/79/05/82/1349790582.db2.gz FWCCYKWIFZCDCX-RAIGVLPGSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001593361990 1349790586 /nfs/dbraw/zinc/79/05/86/1349790586.db2.gz FWCCYKWIFZCDCX-RAIGVLPGSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC=C(c2ccccn2)C1 ZINC001593362767 1349791120 /nfs/dbraw/zinc/79/11/20/1349791120.db2.gz XYPXJSSYUOVYBD-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC=C(c2ccccn2)C1 ZINC001593362767 1349791123 /nfs/dbraw/zinc/79/11/23/1349791123.db2.gz XYPXJSSYUOVYBD-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N(c1ccccc1)[C@H]1CCOC1 ZINC001593371571 1349792773 /nfs/dbraw/zinc/79/27/73/1349792773.db2.gz UHYFSYJFZLZKNX-ZDUSSCGKSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccccn1 ZINC001593371208 1349792927 /nfs/dbraw/zinc/79/29/27/1349792927.db2.gz OGEWPXLFAYRWQT-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC001593492088 1349817947 /nfs/dbraw/zinc/81/79/47/1349817947.db2.gz BIEMSPDRFPVNKO-BLIJAFNYSA-N -1 1 348.410 2.164 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CC[C@@H]1C[C@H]1C1CC1 ZINC001593493075 1349818001 /nfs/dbraw/zinc/81/80/01/1349818001.db2.gz WWPUKYUTXHLXCG-KOLCDFICSA-N -1 1 339.321 2.483 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1CC1(Cl)Cl)CCCC2 ZINC001593492466 1349818891 /nfs/dbraw/zinc/81/88/91/1349818891.db2.gz QOIMIVQUHUFQLY-SECBINFHSA-N -1 1 340.214 2.101 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593572871 1349856840 /nfs/dbraw/zinc/85/68/40/1349856840.db2.gz HAPBPJSMHLNQIG-HNNXBMFYSA-N -1 1 333.355 2.068 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593572871 1349856843 /nfs/dbraw/zinc/85/68/43/1349856843.db2.gz HAPBPJSMHLNQIG-HNNXBMFYSA-N -1 1 333.355 2.068 20 0 EEADMM c1ccc2c(c1)COC[C@H]2Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593579610 1349860836 /nfs/dbraw/zinc/86/08/36/1349860836.db2.gz LLFVJCADYDCPPG-OAHLLOKOSA-N -1 1 345.366 2.493 20 0 EEADMM c1ccc2c(c1)COC[C@H]2Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593579610 1349860840 /nfs/dbraw/zinc/86/08/40/1349860840.db2.gz LLFVJCADYDCPPG-OAHLLOKOSA-N -1 1 345.366 2.493 20 0 EEADMM c1cncc(C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)c1 ZINC001593587015 1349865195 /nfs/dbraw/zinc/86/51/95/1349865195.db2.gz AAIPQIAHVGECGY-CQSZACIVSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)c1 ZINC001593587015 1349865201 /nfs/dbraw/zinc/86/52/01/1349865201.db2.gz AAIPQIAHVGECGY-CQSZACIVSA-N -1 1 336.403 2.265 20 0 EEADMM Cc1cc(C2CCN(CC(=O)Nc3cccc(C(=O)[O-])c3)CC2)[nH]n1 ZINC001600183752 1349987836 /nfs/dbraw/zinc/98/78/36/1349987836.db2.gz DHFVXDUBEDIWOK-UHFFFAOYSA-N -1 1 342.399 2.234 20 0 EEADMM Cc1cc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)[nH]c1C(=O)[O-] ZINC001600189212 1349988471 /nfs/dbraw/zinc/98/84/71/1349988471.db2.gz SBTJHUNMWZKWHM-LLVKDONJSA-N -1 1 325.409 2.366 20 0 EEADMM Cc1cc(CN[C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc(C)n1 ZINC001600204969 1349992351 /nfs/dbraw/zinc/99/23/51/1349992351.db2.gz IQIQDMHTCFQTOH-KRWDZBQOSA-N -1 1 339.395 2.440 20 0 EEADMM Cc1cc(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1N1CCN(C)CC1 ZINC001600281618 1350010073 /nfs/dbraw/zinc/01/00/73/1350010073.db2.gz WUTQAQUCXUWMGJ-HIFRSBDPSA-N -1 1 339.386 2.125 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001600356641 1350028095 /nfs/dbraw/zinc/02/80/95/1350028095.db2.gz JPBKLPUYWJNOOS-UAGQMJEPSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001600357085 1350029121 /nfs/dbraw/zinc/02/91/21/1350029121.db2.gz ROLUONNQHSDKNA-GDBMZVCRSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc(/C=C/CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC001600398678 1350040325 /nfs/dbraw/zinc/04/03/25/1350040325.db2.gz UGVLSGGJTBQKRP-QDLOVBKTSA-N -1 1 330.428 2.406 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c(C)c1 ZINC001600445928 1350053264 /nfs/dbraw/zinc/05/32/64/1350053264.db2.gz QCYDVTCMNHXMBD-OFQRWUPVSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cc1F ZINC001600446500 1350053711 /nfs/dbraw/zinc/05/37/11/1350053711.db2.gz XLFOKXSLODDNPH-CORIIIEPSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@](C)(N)c2ccccc2)C(=O)[O-])c1 ZINC001600526584 1350073504 /nfs/dbraw/zinc/07/35/04/1350073504.db2.gz AQPMVJHOOBWUQY-OXJNMPFZSA-N -1 1 340.423 2.229 20 0 EEADMM Cc1cccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1Br ZINC001600532718 1350075034 /nfs/dbraw/zinc/07/50/34/1350075034.db2.gz QCSKJDNCFXEXFU-AWEZNQCLSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1nc(NC(=O)[C@@H](C)N[C@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC001600711009 1350119500 /nfs/dbraw/zinc/11/95/00/1350119500.db2.gz ZZYCDIXTGSXZDY-BXUZGUMPSA-N -1 1 347.440 2.372 20 0 EEADMM Cc1nn(C)c(Cl)c1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001600772563 1350133049 /nfs/dbraw/zinc/13/30/49/1350133049.db2.gz XLVSHZQGUSWPIG-IACUBPJLSA-N -1 1 341.839 2.226 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@H](c1ccccc1)[C@@H](C)O ZINC001600785561 1350137087 /nfs/dbraw/zinc/13/70/87/1350137087.db2.gz FDRSBIFQNMBJQF-KDOFPFPSSA-N -1 1 331.416 2.186 20 0 EEADMM Cc1noc2ncc(CN[C@](C)(CC(=O)[O-])c3ccncc3)cc12 ZINC001600816314 1350143534 /nfs/dbraw/zinc/14/35/34/1350143534.db2.gz SDMSWIPEWZWYOX-QGZVFWFLSA-N -1 1 326.356 2.406 20 0 EEADMM Cn1c(CN2CCC(OC[C@H]3CCCCO3)CC2)ccc1C(=O)[O-] ZINC001600913629 1350166672 /nfs/dbraw/zinc/16/66/72/1350166672.db2.gz JRNRUXWQRWOHPF-MRXNPFEDSA-N -1 1 336.432 2.273 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[nH]n1 ZINC001600980406 1350181771 /nfs/dbraw/zinc/18/17/71/1350181771.db2.gz FDGDDQUZRUKOBB-UHFFFAOYSA-N -1 1 344.306 2.292 20 0 EEADMM O=C([O-])C12CC(C1)CN2CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001601306839 1350253451 /nfs/dbraw/zinc/25/34/51/1350253451.db2.gz PCOYKVRFVFBIAW-UHFFFAOYSA-N -1 1 328.290 2.193 20 0 EEADMM O=C([O-])c1cc(NC(=O)NCCN2CC=CC2)cc(Cl)c1F ZINC001601502143 1350296825 /nfs/dbraw/zinc/29/68/25/1350296825.db2.gz ZHXKGFZVJCFHMK-UHFFFAOYSA-N -1 1 327.743 2.171 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001601613179 1350319616 /nfs/dbraw/zinc/31/96/16/1350319616.db2.gz IVENZXUYCXRWAH-QWHCGFSZSA-N -1 1 343.383 2.473 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601692328 1350339806 /nfs/dbraw/zinc/33/98/06/1350339806.db2.gz ZSHPUMZVXBMRKJ-GZMMTYOYSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2n[nH]c3cc(O)ccc32)C[C@H]1c1ccccc1 ZINC001601702947 1350342815 /nfs/dbraw/zinc/34/28/15/1350342815.db2.gz PMYKFMLQCYTOQN-SCLBCKFNSA-N -1 1 337.335 2.466 20 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CCCCN(C)c1nnc(C(C)C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001604182052 1350886306 /nfs/dbraw/zinc/88/63/06/1350886306.db2.gz YJSYTGQYUQISJF-UHFFFAOYSA-N -1 1 344.423 2.459 20 0 EEADMM CCCCOc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1OC ZINC001604189081 1350888699 /nfs/dbraw/zinc/88/86/99/1350888699.db2.gz MHZSEDHZOQJUAY-UHFFFAOYSA-N -1 1 343.391 2.389 20 0 EEADMM CCCCOc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1OC ZINC001604189081 1350888703 /nfs/dbraw/zinc/88/87/03/1350888703.db2.gz MHZSEDHZOQJUAY-UHFFFAOYSA-N -1 1 343.391 2.389 20 0 EEADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001604318408 1350914106 /nfs/dbraw/zinc/91/41/06/1350914106.db2.gz JLZKPWSBJYIKRP-UFBFGSQYSA-N -1 1 330.306 2.485 20 0 EEADMM C[C@@H](N[C@H](C)c1cccc(O)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001604357381 1350922798 /nfs/dbraw/zinc/92/27/98/1350922798.db2.gz IQROGUSGUYVGNS-CHWSQXEVSA-N -1 1 342.395 2.446 20 0 EEADMM CCO[C@H](C)c1nc(CN(C)c2cccnc2-c2nnn[n-]2)cs1 ZINC001604400689 1350930116 /nfs/dbraw/zinc/93/01/16/1350930116.db2.gz JAZLHNIEKDGVNQ-SNVBAGLBSA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@H](C)c1nc(CN(C)c2cccnc2-c2nn[n-]n2)cs1 ZINC001604400689 1350930121 /nfs/dbraw/zinc/93/01/21/1350930121.db2.gz JAZLHNIEKDGVNQ-SNVBAGLBSA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCCCC2 ZINC001604411454 1350932312 /nfs/dbraw/zinc/93/23/12/1350932312.db2.gz COZQYDWYFYBTJX-OLZOCXBDSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCCCC2 ZINC001604411454 1350932315 /nfs/dbraw/zinc/93/23/15/1350932315.db2.gz COZQYDWYFYBTJX-OLZOCXBDSA-N -1 1 329.408 2.197 20 0 EEADMM C[C@H](Oc1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1)C(=O)[O-] ZINC001604430290 1350936431 /nfs/dbraw/zinc/93/64/31/1350936431.db2.gz RSTDWKFNCZEVRQ-SJCJKPOMSA-N -1 1 340.379 2.192 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC001604499571 1350949433 /nfs/dbraw/zinc/94/94/33/1350949433.db2.gz DFFSRSGOQGEECL-ZDUSSCGKSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC001604499571 1350949434 /nfs/dbraw/zinc/94/94/34/1350949434.db2.gz DFFSRSGOQGEECL-ZDUSSCGKSA-N -1 1 326.335 2.282 20 0 EEADMM CCc1cc(=O)n(Cc2ccc(-c3nnn[n-]3)o2)nc1-c1ccccc1 ZINC001604510771 1350952370 /nfs/dbraw/zinc/95/23/70/1350952370.db2.gz JGOMYHQTCFZZMO-UHFFFAOYSA-N -1 1 348.366 2.294 20 0 EEADMM CCc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)o2)nc1-c1ccccc1 ZINC001604510771 1350952372 /nfs/dbraw/zinc/95/23/72/1350952372.db2.gz JGOMYHQTCFZZMO-UHFFFAOYSA-N -1 1 348.366 2.294 20 0 EEADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C(=O)OC)c1 ZINC001604525356 1350954859 /nfs/dbraw/zinc/95/48/59/1350954859.db2.gz ZAYJPVZDKHJEMG-UHFFFAOYSA-N -1 1 341.327 2.061 20 0 EEADMM CCc1ccccc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001604531100 1350955929 /nfs/dbraw/zinc/95/59/29/1350955929.db2.gz PPEKPWHDWNLBEV-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CCc1ccccc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001604531100 1350955931 /nfs/dbraw/zinc/95/59/31/1350955931.db2.gz PPEKPWHDWNLBEV-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+]([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001604589742 1350966552 /nfs/dbraw/zinc/96/65/52/1350966552.db2.gz ZWAXOSLJTVEBFP-FZMZJTMJSA-N -1 1 348.296 2.094 20 0 EEADMM C[C@H]1CCn2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)nc2C1 ZINC001604770105 1350999768 /nfs/dbraw/zinc/99/97/68/1350999768.db2.gz WZQLXDDDAPONLY-VIFPVBQESA-N -1 1 339.355 2.292 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCC(C(F)F)CC1 ZINC001604789686 1351004409 /nfs/dbraw/zinc/00/44/09/1351004409.db2.gz GDRZTOGGRKURGM-HIFPTAJRSA-N -1 1 347.406 2.001 20 0 EEADMM CN(Cc1nccn1C(F)F)c1snc(Cl)c1-c1nnn[n-]1 ZINC001604823800 1351015495 /nfs/dbraw/zinc/01/54/95/1351015495.db2.gz INZXBMNVLFUIEL-UHFFFAOYSA-N -1 1 346.754 2.205 20 0 EEADMM CN(Cc1nccn1C(F)F)c1snc(Cl)c1-c1nn[n-]n1 ZINC001604823800 1351015496 /nfs/dbraw/zinc/01/54/96/1351015496.db2.gz INZXBMNVLFUIEL-UHFFFAOYSA-N -1 1 346.754 2.205 20 0 EEADMM CO[C@H](C)CC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001605003557 1351050820 /nfs/dbraw/zinc/05/08/20/1351050820.db2.gz VFNNGGUBJSXZKO-SSDOTTSWSA-N -1 1 345.281 2.129 20 0 EEADMM COc1c(C)cnc(CNc2ccc(C)nc2-c2nnn[n-]2)c1C ZINC001605155791 1351090178 /nfs/dbraw/zinc/09/01/78/1351090178.db2.gz MRMUJSMYGOQTCO-UHFFFAOYSA-N -1 1 325.376 2.203 20 0 EEADMM COc1c(C)cnc(CNc2ccc(C)nc2-c2nn[n-]n2)c1C ZINC001605155791 1351090184 /nfs/dbraw/zinc/09/01/84/1351090184.db2.gz MRMUJSMYGOQTCO-UHFFFAOYSA-N -1 1 325.376 2.203 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(Nc3ccccc3)CC2)n1 ZINC001605559632 1351189999 /nfs/dbraw/zinc/18/99/99/1351189999.db2.gz CZKWEIDIFLPBID-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(Nc3ccccc3)CC2)n1 ZINC001605559632 1351190002 /nfs/dbraw/zinc/19/00/02/1351190002.db2.gz CZKWEIDIFLPBID-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCOc3ccc(F)cc32)n1 ZINC001605573567 1351192440 /nfs/dbraw/zinc/19/24/40/1351192440.db2.gz ZSWMYXTYAZGTDD-NSHDSACASA-N -1 1 327.323 2.040 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCOc3ccc(F)cc32)n1 ZINC001605573567 1351192442 /nfs/dbraw/zinc/19/24/42/1351192442.db2.gz ZSWMYXTYAZGTDD-NSHDSACASA-N -1 1 327.323 2.040 20 0 EEADMM Cc1ccc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605864811 1351240709 /nfs/dbraw/zinc/24/07/09/1351240709.db2.gz NWCUWMNCQHSABB-MWLCHTKSSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605864811 1351240711 /nfs/dbraw/zinc/24/07/11/1351240711.db2.gz NWCUWMNCQHSABB-MWLCHTKSSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N[C@@H](C[C@H]2CCCO2)C(F)(F)F)nc1-c1nnn[n-]1 ZINC001605871696 1351242761 /nfs/dbraw/zinc/24/27/61/1351242761.db2.gz IEISDBGKXSEQGD-ZJUUUORDSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(N[C@@H](C[C@H]2CCCO2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001605871696 1351242763 /nfs/dbraw/zinc/24/27/63/1351242763.db2.gz IEISDBGKXSEQGD-ZJUUUORDSA-N -1 1 342.325 2.482 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c1cccs1 ZINC001606011898 1351263055 /nfs/dbraw/zinc/26/30/55/1351263055.db2.gz CVKFDCQYOYTEPK-NSHDSACASA-N -1 1 327.450 2.151 20 0 EEADMM Cc1nc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cs1 ZINC001606040684 1351265456 /nfs/dbraw/zinc/26/54/56/1351265456.db2.gz PTISAIBIQDANPJ-UHFFFAOYSA-N -1 1 348.457 2.332 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606297508 1351290221 /nfs/dbraw/zinc/29/02/21/1351290221.db2.gz XOOSDTHYWPKHPG-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606297508 1351290223 /nfs/dbraw/zinc/29/02/23/1351290223.db2.gz XOOSDTHYWPKHPG-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM Fc1cccc(F)c1Cc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606328607 1351293440 /nfs/dbraw/zinc/29/34/40/1351293440.db2.gz YDVYXPQCVIHXGO-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1cccc(F)c1Cc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606328607 1351293443 /nfs/dbraw/zinc/29/34/43/1351293443.db2.gz YDVYXPQCVIHXGO-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM O=C(Cc1cc2ccccc2o1)OCc1cccnc1-c1nnn[n-]1 ZINC001606590954 1351328230 /nfs/dbraw/zinc/32/82/30/1351328230.db2.gz BJQXGZGGRFMPPJ-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(Cc1cc2ccccc2o1)OCc1cccnc1-c1nn[n-]n1 ZINC001606590954 1351328233 /nfs/dbraw/zinc/32/82/33/1351328233.db2.gz BJQXGZGGRFMPPJ-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(N[C@@H]1CCOCC12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001606683454 1351341471 /nfs/dbraw/zinc/34/14/71/1351341471.db2.gz PMXJEMDUTRCVNJ-GFCCVEGCSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCC1CC(F)(F)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606719048 1351346472 /nfs/dbraw/zinc/34/64/72/1351346472.db2.gz DGMCRVBLMNGILZ-UHFFFAOYSA-N -1 1 349.754 2.143 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NCC(=O)Nc2ccc(C)cc2C)C(=O)[O-])C1 ZINC001606743696 1351350372 /nfs/dbraw/zinc/35/03/72/1351350372.db2.gz VBARXWVCWHMEFU-DAYGRLMNSA-N -1 1 348.443 2.490 20 0 EEADMM O=C(NCCF)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001606775787 1351355319 /nfs/dbraw/zinc/35/53/19/1351355319.db2.gz HDFDXLIKXUEPEH-UHFFFAOYSA-N -1 1 343.322 2.145 20 0 EEADMM O=C(NCCF)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001606775787 1351355321 /nfs/dbraw/zinc/35/53/21/1351355321.db2.gz HDFDXLIKXUEPEH-UHFFFAOYSA-N -1 1 343.322 2.145 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606832797 1351364361 /nfs/dbraw/zinc/36/43/61/1351364361.db2.gz USAMMQOGVSXMFO-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606832797 1351364363 /nfs/dbraw/zinc/36/43/63/1351364363.db2.gz USAMMQOGVSXMFO-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM COC[C@@]1(C(=O)OC(C)(C)C)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC001606834859 1351364818 /nfs/dbraw/zinc/36/48/18/1351364818.db2.gz ZWENGMLCAVDMRL-QGZVFWFLSA-N -1 1 339.388 2.158 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCCC1(F)F ZINC001606950426 1351383249 /nfs/dbraw/zinc/38/32/49/1351383249.db2.gz VXCSHYWPYHOBIT-BYPYZUCNSA-N -1 1 349.754 2.286 20 0 EEADMM O=C(OC[C@H]1CCN(c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606967855 1351387210 /nfs/dbraw/zinc/38/72/10/1351387210.db2.gz QWOWFGXXSMDQLR-LBPRGKRZSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(OC[C@H]1CCN(c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606967855 1351387213 /nfs/dbraw/zinc/38/72/13/1351387213.db2.gz QWOWFGXXSMDQLR-LBPRGKRZSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(OCc1cccc(OC(F)F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606981867 1351391431 /nfs/dbraw/zinc/39/14/31/1351391431.db2.gz AUZCBZAIDCMVTQ-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1cccc(OC(F)F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606981867 1351391435 /nfs/dbraw/zinc/39/14/35/1351391435.db2.gz AUZCBZAIDCMVTQ-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1c(Cl)oc2ccccc21 ZINC001607090052 1351413909 /nfs/dbraw/zinc/41/39/09/1351413909.db2.gz JOCIHOFGROYAQG-UHFFFAOYSA-N -1 1 327.731 2.476 20 0 EEADMM c1snnc1-c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001607114174 1351424255 /nfs/dbraw/zinc/42/42/55/1351424255.db2.gz GNRQLEDGLSQJGK-UHFFFAOYSA-N -1 1 342.413 2.454 20 0 EEADMM c1snnc1-c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001607114174 1351424256 /nfs/dbraw/zinc/42/42/56/1351424256.db2.gz GNRQLEDGLSQJGK-UHFFFAOYSA-N -1 1 342.413 2.454 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607130554 1351432280 /nfs/dbraw/zinc/43/22/80/1351432280.db2.gz BAGQWJSFFSKPHY-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607130554 1351432282 /nfs/dbraw/zinc/43/22/82/1351432282.db2.gz BAGQWJSFFSKPHY-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCSC2(CCOCC2)C1 ZINC001607215619 1351450679 /nfs/dbraw/zinc/45/06/79/1351450679.db2.gz FBNKLPJGWJHSFD-UHFFFAOYSA-N -1 1 337.441 2.491 20 0 EEADMM COc1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])c(OC)c1OC ZINC001607259575 1351460355 /nfs/dbraw/zinc/46/03/55/1351460355.db2.gz XERDTHNQOVJFAO-SECBINFHSA-N -1 1 337.294 2.208 20 0 EEADMM COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1C(=O)[O-] ZINC001607259788 1351460509 /nfs/dbraw/zinc/46/05/09/1351460509.db2.gz XWSHXEBYUPYKDI-CYBMUJFWSA-N -1 1 349.431 2.065 20 0 EEADMM C[C@H]1CN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C(=O)[O-] ZINC001607474878 1351499920 /nfs/dbraw/zinc/49/99/20/1351499920.db2.gz UTOIUKFBJWDVES-NILFDRSVSA-N -1 1 336.819 2.488 20 0 EEADMM Cc1cc(F)ncc1CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001607666434 1351535899 /nfs/dbraw/zinc/53/58/99/1351535899.db2.gz OACFLGYEMZDXAJ-HNNXBMFYSA-N -1 1 343.358 2.270 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607668480 1351536389 /nfs/dbraw/zinc/53/63/89/1351536389.db2.gz MHKUILISHZXHBS-FZNQNYSPSA-N -1 1 345.443 2.329 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001607740279 1351549717 /nfs/dbraw/zinc/54/97/17/1351549717.db2.gz LTHRTPWIFBXOHJ-MJBXVCDLSA-N -1 1 333.432 2.045 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001607740279 1351549721 /nfs/dbraw/zinc/54/97/21/1351549721.db2.gz LTHRTPWIFBXOHJ-MJBXVCDLSA-N -1 1 333.432 2.045 20 0 EEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001607790049 1351559544 /nfs/dbraw/zinc/55/95/44/1351559544.db2.gz ANZTXPVKHZGTDJ-LNSITVRQSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc2snc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c2c1 ZINC001607834852 1351568383 /nfs/dbraw/zinc/56/83/83/1351568383.db2.gz AGHHSTQFGAATMS-GFCCVEGCSA-N -1 1 347.440 2.226 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)C(C)(C)c2cnc[nH]2)C(=O)[O-])c1 ZINC001607847025 1351570387 /nfs/dbraw/zinc/57/03/87/1351570387.db2.gz NMSYBWPMPHHQBB-CQSZACIVSA-N -1 1 329.400 2.055 20 0 EEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)[nH]n1 ZINC001607996890 1351600344 /nfs/dbraw/zinc/60/03/44/1351600344.db2.gz ROTQERVUGRIMIS-UHFFFAOYSA-N -1 1 339.355 2.378 20 0 EEADMM Cc1oc(CN(C)C(=O)c2ccc(-c3nnc[nH]3)cc2)cc1C(=O)[O-] ZINC001608045115 1351612893 /nfs/dbraw/zinc/61/28/93/1351612893.db2.gz WQKUEXXJXXQIAT-UHFFFAOYSA-N -1 1 340.339 2.344 20 0 EEADMM Cc1oc(CN(C)C[C@@H](O)CC2(O)CCCCC2)cc1C(=O)[O-] ZINC001608046114 1351613148 /nfs/dbraw/zinc/61/31/48/1351613148.db2.gz MSYVTZKBUIFDMZ-ZDUSSCGKSA-N -1 1 325.405 2.164 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(NC(=O)CC3CCCC3)CC2)n1 ZINC001608294658 1351665519 /nfs/dbraw/zinc/66/55/19/1351665519.db2.gz XZRMWSMVLAXMTJ-UHFFFAOYSA-N -1 1 345.443 2.441 20 0 EEADMM Cc1ccc2oc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)cc(=O)c2c1 ZINC000026254023 1352370615 /nfs/dbraw/zinc/37/06/15/1352370615.db2.gz TXVYBAFVRPOFEL-UHFFFAOYSA-N -1 1 338.245 2.491 20 0 EEADMM CSc1ncc(C(=O)NCCc2cc3ccccc3[nH]2)c(=O)[n-]1 ZINC001623396873 1352396019 /nfs/dbraw/zinc/39/60/19/1352396019.db2.gz XMWLKUQFQSOTOL-UHFFFAOYSA-N -1 1 328.397 2.358 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001638603131 1352690358 /nfs/dbraw/zinc/69/03/58/1352690358.db2.gz XYAVIBPLHJTKSY-UHFFFAOYSA-N -1 1 332.364 2.424 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCOC(C)(C)C1 ZINC001645680920 1352795512 /nfs/dbraw/zinc/79/55/12/1352795512.db2.gz AZQXDUGFPHHRQQ-SNVBAGLBSA-N -1 1 335.372 2.209 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)c(F)c1 ZINC001662672762 1354823406 /nfs/dbraw/zinc/82/34/06/1354823406.db2.gz YAGPKDPEBAQTSG-UHFFFAOYSA-N -1 1 337.351 2.399 20 0 EEADMM CCC[C@@H](C)CC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001388343652 1387392005 /nfs/dbraw/zinc/39/20/05/1387392005.db2.gz TYNXMGNPIPSUJN-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](F)C(=O)NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001388804367 1387715343 /nfs/dbraw/zinc/71/53/43/1387715343.db2.gz KGAAHLCZXXBMET-OLZOCXBDSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1ccc(F)c(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1 ZINC000346108601 1368137986 /nfs/dbraw/zinc/13/79/86/1368137986.db2.gz XJKGXLBOQXVZFR-UHFFFAOYSA-N -1 1 327.319 2.479 20 0 EEADMM COC(=O)c1cc(C)cnc1NC(=O)c1c([O-])cc(OC)cc1OC ZINC001190109922 1368394478 /nfs/dbraw/zinc/39/44/78/1368394478.db2.gz CAWMVLHELWCZPE-UHFFFAOYSA-N -1 1 346.339 2.152 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cnn(C3CCOCC3)c2)c(OC)c1 ZINC001190110443 1368394733 /nfs/dbraw/zinc/39/47/33/1368394733.db2.gz POTLQVLDTZQCCE-UHFFFAOYSA-N -1 1 347.371 2.210 20 0 EEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)nc1F)c1cccnc1 ZINC000867408325 1368857487 /nfs/dbraw/zinc/85/74/87/1368857487.db2.gz ALBAEQFQHLEJJN-UHFFFAOYSA-N -1 1 327.356 2.011 20 0 EEADMM O=C(COC(=O)CCC(=O)c1cccs1)[N-]C(=O)c1ccccc1 ZINC000005787488 1368871676 /nfs/dbraw/zinc/87/16/76/1368871676.db2.gz CDTRIBRCIXTPRX-UHFFFAOYSA-N -1 1 345.376 2.211 20 0 EEADMM C[C@@H]1CCN(C(=O)NCCC(C)(C)F)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852552783 1369281114 /nfs/dbraw/zinc/28/11/14/1369281114.db2.gz GAVURUXAEMJNPF-ZJUUUORDSA-N -1 1 341.349 2.223 20 0 EEADMM CCC1(C(=O)N2CCC(CC)(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001069598963 1370195023 /nfs/dbraw/zinc/19/50/23/1370195023.db2.gz DQUMKQHTLCGHQQ-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1[nH]nc2c1CCCCC2 ZINC000798897820 1371619859 /nfs/dbraw/zinc/61/98/59/1371619859.db2.gz 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ZINC001362499576 1373423289 /nfs/dbraw/zinc/42/32/89/1373423289.db2.gz XNVPDDZQJFMRQK-CQSZACIVSA-N -1 1 331.420 2.235 20 0 EEADMM Cc1ccnc(C[N-]S(=O)(=O)c2cscc2Br)n1 ZINC001364011201 1373570491 /nfs/dbraw/zinc/57/04/91/1373570491.db2.gz WPTOVQYTDZHHKA-UHFFFAOYSA-N -1 1 348.247 2.088 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ccsc1)C(=O)c1ncccc1[O-] ZINC001369744889 1374619499 /nfs/dbraw/zinc/61/94/99/1374619499.db2.gz NNTRSCXNVZRGIT-UHFFFAOYSA-N -1 1 347.440 2.377 20 0 EEADMM CCC(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371711350 1375601537 /nfs/dbraw/zinc/60/15/37/1375601537.db2.gz JVWRXVSCYMUSIP-GXTWGEPZSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001372648805 1376112563 /nfs/dbraw/zinc/11/25/63/1376112563.db2.gz AQRYFUXULBTBGH-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CC[C@@H](CNC(=O)C1CCC1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001390160986 1388471798 /nfs/dbraw/zinc/47/17/98/1388471798.db2.gz LTQNLCCXDLLMAP-ZDUSSCGKSA-N -1 1 348.447 2.039 20 0 EEADMM CN(C/C=C/Cl)CCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001376997209 1378906452 /nfs/dbraw/zinc/90/64/52/1378906452.db2.gz COYIXUVUHXGRBA-XVNBXDOJSA-N -1 1 338.795 2.075 20 0 EEADMM CCCC(CCC)C(=O)N1CC[C@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001379153390 1380591272 /nfs/dbraw/zinc/59/12/72/1380591272.db2.gz DDHDAAKFVLSVQK-CABCVRRESA-N -1 1 349.479 2.150 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001384354588 1382892176 /nfs/dbraw/zinc/89/21/76/1382892176.db2.gz CONODUYFUUUYPQ-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385254411 1385403148 /nfs/dbraw/zinc/40/31/48/1385403148.db2.gz PFESMIBJWNJWJT-ZIAGYGMSSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](NC(=O)C1(C)CCC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385531395 1385655341 /nfs/dbraw/zinc/65/53/41/1385655341.db2.gz JHUMQGBVYLTNGE-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])CC1 ZINC001386240616 1386029052 /nfs/dbraw/zinc/02/90/52/1386029052.db2.gz VEONJFZVPANQRA-AGUYFDCRSA-N -1 1 343.427 2.229 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001387182987 1386556565 /nfs/dbraw/zinc/55/65/65/1386556565.db2.gz URXGHUOZZUDSMF-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)Cc1cccs1 ZINC001387425459 1386724696 /nfs/dbraw/zinc/72/46/96/1386724696.db2.gz LZNVTJFGFJNHPV-UHFFFAOYSA-N -1 1 347.440 2.060 20 0 EEADMM Cc1scc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])c1C ZINC001391809472 1389620124 /nfs/dbraw/zinc/62/01/24/1389620124.db2.gz TUPWTRDVPVECBX-UHFFFAOYSA-N -1 1 347.440 2.310 20 0 EEADMM C[C@H](CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)C1CCCCC1 ZINC001393559227 1390471818 /nfs/dbraw/zinc/47/18/18/1390471818.db2.gz ACSRYXSQPWACKI-CYBMUJFWSA-N -1 1 349.479 2.245 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001395286036 1390812060 /nfs/dbraw/zinc/81/20/60/1390812060.db2.gz QYYJCLUYHZJQSX-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](CCNC(=O)CC(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001397776098 1391475814 /nfs/dbraw/zinc/47/58/14/1391475814.db2.gz NROISDMHINYOHR-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001399745368 1395473199 /nfs/dbraw/zinc/47/31/99/1395473199.db2.gz CVYJDZHAPFMENU-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(CC1CCC1)NC[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001400331495 1396208067 /nfs/dbraw/zinc/20/80/67/1396208067.db2.gz WMNMRKIFTSGPOD-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@@H](CNC(=O)C(C)(C)C1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001400839919 1396646371 /nfs/dbraw/zinc/64/63/71/1396646371.db2.gz AUGYVOHYBWSSSD-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM CCC[C@H](C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)C(C)C ZINC001401181022 1397012276 /nfs/dbraw/zinc/01/22/76/1397012276.db2.gz MATZMZDIPXBHTR-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCC1(C)C ZINC001425040511 1401405467 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COc1cc(C)c([S@@](C)=O)cc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001579916262 1403797374 /nfs/dbraw/zinc/79/73/74/1403797374.db2.gz HCHPKMUKFMBGLE-XMMPIXPASA-N -1 1 345.384 2.108 20 0 EEADMM COc1cc(C)c([S@@](C)=O)cc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001579916262 1403797380 /nfs/dbraw/zinc/79/73/80/1403797380.db2.gz HCHPKMUKFMBGLE-XMMPIXPASA-N -1 1 345.384 2.108 20 0 EEADMM COc1ccc(C[C@H](C)CNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001579995384 1403804704 /nfs/dbraw/zinc/80/47/04/1403804704.db2.gz CNPVFJILBFKHHV-NSHDSACASA-N -1 1 339.403 2.264 20 0 EEADMM COc1ccc(C[C@H](C)CNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001579995384 1403804706 /nfs/dbraw/zinc/80/47/06/1403804706.db2.gz CNPVFJILBFKHHV-NSHDSACASA-N -1 1 339.403 2.264 20 0 EEADMM COC(=O)c1ccc(Oc2ccc3cnccc3c2)c(-c2nnn[n-]2)n1 ZINC001591298742 1403903225 /nfs/dbraw/zinc/90/32/25/1403903225.db2.gz YARWZPSQTJYLAV-UHFFFAOYSA-N -1 1 348.322 2.389 20 0 EEADMM COC(=O)c1ccc(Oc2ccc3cnccc3c2)c(-c2nn[n-]n2)n1 ZINC001591298742 1403903237 /nfs/dbraw/zinc/90/32/37/1403903237.db2.gz YARWZPSQTJYLAV-UHFFFAOYSA-N -1 1 348.322 2.389 20 0 EEADMM CO[C@@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)C1CCCC1 ZINC001591335728 1403905985 /nfs/dbraw/zinc/90/59/85/1403905985.db2.gz XLGBXUNRVDATLD-HNNXBMFYSA-N -1 1 343.431 2.112 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591335629 1403906870 /nfs/dbraw/zinc/90/68/70/1403906870.db2.gz JBXRSTISMYDBFD-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591335629 1403906883 /nfs/dbraw/zinc/90/68/83/1403906883.db2.gz JBXRSTISMYDBFD-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C)c(C)c2Cl)c1-c1nn[n-]n1 ZINC001592129542 1404000879 /nfs/dbraw/zinc/00/08/79/1404000879.db2.gz KTOGBLLFVJSLDP-UHFFFAOYSA-N -1 1 331.767 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001592499003 1404704284 /nfs/dbraw/zinc/70/42/84/1404704284.db2.gz HRBAOQKPSIEDPP-UHOFOFEASA-N -1 1 335.367 2.226 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001592499003 1404704287 /nfs/dbraw/zinc/70/42/87/1404704287.db2.gz HRBAOQKPSIEDPP-UHOFOFEASA-N -1 1 335.367 2.226 20 0 EEADMM CCc1[nH]c(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C(=O)OC ZINC001605771458 1404753302 /nfs/dbraw/zinc/75/33/02/1404753302.db2.gz ADBNVJGQOBWWDE-KRWDZBQOSA-N -1 1 342.395 2.375 20 0 EEADMM Cc1ccc(C)n1C1CCN(c2cc(-c3nnn[n-]3)nc(C)n2)CC1 ZINC001606019932 1404756617 /nfs/dbraw/zinc/75/66/17/1404756617.db2.gz ORGAIBSLGWIARN-UHFFFAOYSA-N -1 1 338.419 2.225 20 0 EEADMM Cc1ccc(C)n1C1CCN(c2cc(-c3nn[n-]n3)nc(C)n2)CC1 ZINC001606019932 1404756622 /nfs/dbraw/zinc/75/66/22/1404756622.db2.gz ORGAIBSLGWIARN-UHFFFAOYSA-N -1 1 338.419 2.225 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001606147427 1404769545 /nfs/dbraw/zinc/76/95/45/1404769545.db2.gz IORIFHIURIPLCZ-UHFFFAOYSA-N -1 1 330.388 2.002 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC001606166311 1404770347 /nfs/dbraw/zinc/77/03/47/1404770347.db2.gz APWRYWOOQCRSOZ-QGZVFWFLSA-N -1 1 347.419 2.219 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(O)CCCC(C)(C)CC1 ZINC001606166311 1404770351 /nfs/dbraw/zinc/77/03/51/1404770351.db2.gz APWRYWOOQCRSOZ-QGZVFWFLSA-N -1 1 347.419 2.219 20 0 EEADMM FC1(F)CCCN(c2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001606299922 1404781906 /nfs/dbraw/zinc/78/19/06/1404781906.db2.gz MGMPBGVELHUYHD-UHFFFAOYSA-N -1 1 345.151 2.260 20 0 EEADMM FC1(F)CCCN(c2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001606299922 1404781916 /nfs/dbraw/zinc/78/19/16/1404781916.db2.gz MGMPBGVELHUYHD-UHFFFAOYSA-N -1 1 345.151 2.260 20 0 EEADMM Fc1cccc(CCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001606327269 1404793111 /nfs/dbraw/zinc/79/31/11/1404793111.db2.gz GBQDZGKWLXBFGD-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(CCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001606327269 1404793115 /nfs/dbraw/zinc/79/31/15/1404793115.db2.gz GBQDZGKWLXBFGD-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001646207888 1404882234 /nfs/dbraw/zinc/88/22/34/1404882234.db2.gz PDLQQDUAHZPHJD-ZDUSSCGKSA-N -1 1 332.853 2.040 20 0 EEADMM CC(C)c1ccc([C@@H](NC(=O)COCc2nn[n-]n2)C(C)C)cc1 ZINC001646231062 1404883505 /nfs/dbraw/zinc/88/35/05/1404883505.db2.gz VREIFXAHRMIHAS-KRWDZBQOSA-N -1 1 331.420 2.353 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCCO1)c1c(F)cccc1Br ZINC000128658017 1404944273 /nfs/dbraw/zinc/94/42/73/1404944273.db2.gz ZGHRBSLRDLFIJQ-MRVPVSSYSA-N -1 1 338.198 2.046 20 0 EEADMM C[C@@H](CCCNCC(F)(F)C(F)F)NC(=O)c1ncccc1[O-] ZINC001755495048 1407535757 /nfs/dbraw/zinc/53/57/57/1407535757.db2.gz BMOIUAOYYAQKKB-VIFPVBQESA-N -1 1 337.317 2.176 20 0 EEADMM C/C(=C/C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)C1CC1 ZINC001756173373 1408197762 /nfs/dbraw/zinc/19/77/62/1408197762.db2.gz KBBGUMCMNQFNMH-LMRWQKIVSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)CCC1(C)CC1 ZINC001756347860 1408356392 /nfs/dbraw/zinc/35/63/92/1408356392.db2.gz ZNNNTDNOBSRJSA-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1nc2ccc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)cc2s1 ZINC001771918172 1409980634 /nfs/dbraw/zinc/98/06/34/1409980634.db2.gz IIPIBMRKATUJQQ-NSHDSACASA-N -1 1 333.413 2.340 20 0 EEADMM O=C(CC1(CSc2ccccc2)CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001772457543 1410196655 /nfs/dbraw/zinc/19/66/55/1410196655.db2.gz NAKRVAQYYBDXIS-ZDUSSCGKSA-N -1 1 343.456 2.478 20 0 EEADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(F)F ZINC000390304871 1410207596 /nfs/dbraw/zinc/20/75/96/1410207596.db2.gz TXWPZGUGIKGGNZ-YFKPBYRVSA-N -1 1 341.095 2.380 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1NC(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000946239933 790293230 /nfs/dbraw/zinc/29/32/30/790293230.db2.gz OMXSIANYPCENKR-CHWSQXEVSA-N -1 1 349.406 2.084 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc(F)cc2O)c1 ZINC001210019938 757600351 /nfs/dbraw/zinc/60/03/51/757600351.db2.gz GDDGYLQKMMJKRZ-UHFFFAOYSA-N -1 1 326.305 2.247 20 0 EEADMM O=C(CC1CCCCCC1)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167335470 758019949 /nfs/dbraw/zinc/01/99/49/758019949.db2.gz HCLVUEACALFFPD-UHFFFAOYSA-N -1 1 349.479 2.247 20 0 EEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000835584018 761120264 /nfs/dbraw/zinc/12/02/64/761120264.db2.gz XPCCEIBIJARALU-UHFFFAOYSA-N -1 1 347.506 2.077 20 0 EEADMM O=C(CC1CCCCCC1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942515444 782599572 /nfs/dbraw/zinc/59/95/72/782599572.db2.gz LPURZGITZBHPGS-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CCn1cccc(NC(=O)c2c(C)nc(C3CC3)nc2[S-])c1=O ZINC000840497649 782668673 /nfs/dbraw/zinc/66/86/73/782668673.db2.gz ALIUZBINWPRIMC-UHFFFAOYSA-N -1 1 330.413 2.385 20 0 EEADMM CCOC(=O)[C@@H]1CCC[C@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138608 782671657 /nfs/dbraw/zinc/67/16/57/782671657.db2.gz RTXOQYGHXOJQBB-BDAKNGLRSA-N -1 1 345.193 2.445 20 0 EEADMM O=S(=O)([N-]CC1(Br)CC1)c1cccc(F)c1F ZINC000920063570 770538321 /nfs/dbraw/zinc/53/83/21/770538321.db2.gz PFJOPNNQKHHSTN-UHFFFAOYSA-N 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C[C@H](C(=O)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001088336533 783553324 /nfs/dbraw/zinc/55/33/24/783553324.db2.gz GWDHFORVCKDJDQ-CHWSQXEVSA-N -1 1 337.468 2.053 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945502123 784222226 /nfs/dbraw/zinc/22/22/26/784222226.db2.gz RRBSBEARULKDGS-ZIAGYGMSSA-N -1 1 343.427 2.110 20 0 EEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCN(C2CCOCC2)CC1 ZINC000816943327 784396506 /nfs/dbraw/zinc/39/65/06/784396506.db2.gz USLRDWFJGJAKMR-UHFFFAOYSA-N -1 1 347.440 2.053 20 0 EEADMM Cc1ccc2c(c1)nc(CNC(=O)c1cnc(C3CC3)[n-]c1=O)n2C ZINC000907435446 784631010 /nfs/dbraw/zinc/63/10/10/784631010.db2.gz CCGXCNUVEHRWSR-UHFFFAOYSA-N -1 1 337.383 2.185 20 0 EEADMM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1ccno1)C(F)(F)F ZINC000817289872 784632221 /nfs/dbraw/zinc/63/22/21/784632221.db2.gz BTKQGRSVOUIBDD-LLVKDONJSA-N -1 1 325.290 2.284 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)c1cc[nH]c1)C(F)(F)F ZINC000817675614 784914491 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O=C([O-])CN(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CCC1 ZINC000908743821 785682805 /nfs/dbraw/zinc/68/28/05/785682805.db2.gz PBRVBPRJHXYZEZ-HNNXBMFYSA-N -1 1 349.431 2.455 20 0 EEADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000908773788 785694275 /nfs/dbraw/zinc/69/42/75/785694275.db2.gz MTNZMCDXIMSLCS-CABCVRRESA-N -1 1 332.444 2.266 20 0 EEADMM O=C(N1CCC[C@@H](c2n[n-]c(=O)o2)C1)C(F)(F)c1ccc(F)cc1 ZINC000819965956 785723523 /nfs/dbraw/zinc/72/35/23/785723523.db2.gz JFEKJQPBSCFEQR-SECBINFHSA-N -1 1 341.289 2.412 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908799167 785733922 /nfs/dbraw/zinc/73/39/22/785733922.db2.gz MZPWOSPQGYQGKX-YJBOKZPZSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908799167 785733928 /nfs/dbraw/zinc/73/39/28/785733928.db2.gz MZPWOSPQGYQGKX-YJBOKZPZSA-N -1 1 330.428 2.359 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C1CC1 ZINC000908818109 785753146 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20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)o1 ZINC000910147987 786498207 /nfs/dbraw/zinc/49/82/07/786498207.db2.gz WXWHJNOSTAPUBV-LBPRGKRZSA-N -1 1 340.445 2.011 20 0 EEADMM C[C@H](CN1CCOCC1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910243916 786569080 /nfs/dbraw/zinc/56/90/80/786569080.db2.gz GCDOSAOLMFFTLN-CYBMUJFWSA-N -1 1 342.395 2.445 20 0 EEADMM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000910368144 786698423 /nfs/dbraw/zinc/69/84/23/786698423.db2.gz BXXNLNBTRRLAPM-MRXNPFEDSA-N -1 1 341.411 2.472 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1c1nccc(Oc2ccccc2)n1 ZINC000910457017 786785091 /nfs/dbraw/zinc/78/50/91/786785091.db2.gz RPEFRQACMVDGFM-CQSZACIVSA-N -1 1 342.399 2.254 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@H]4CCCCN43)nc2C1 ZINC000910686752 786980834 /nfs/dbraw/zinc/98/08/34/786980834.db2.gz ZHVUZLKSKNZMLJ-NQBHXWOUSA-N -1 1 349.456 2.288 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)C[C@@H]21 ZINC000910800293 787033865 /nfs/dbraw/zinc/03/38/65/787033865.db2.gz TXKABUBIPDLZON-VROVMSAKSA-N -1 1 337.788 2.194 20 0 EEADMM Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822197670 787071416 /nfs/dbraw/zinc/07/14/16/787071416.db2.gz KGTWJXCCFRSBTK-UHFFFAOYSA-N -1 1 339.355 2.207 20 0 EEADMM CO[C@@](C)(C(=O)Nc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000910986393 787165287 /nfs/dbraw/zinc/16/52/87/787165287.db2.gz LRBGAMULABVGMZ-HNNXBMFYSA-N -1 1 331.315 2.356 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000911094692 787239602 /nfs/dbraw/zinc/23/96/02/787239602.db2.gz GTEBDHGHGISUEQ-DLBZAZTESA-N -1 1 348.443 2.449 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000911099531 787242961 /nfs/dbraw/zinc/24/29/61/787242961.db2.gz QXIUIRSOAHNJKZ-MRXNPFEDSA-N -1 1 333.432 2.042 20 0 EEADMM COc1ccc(CC(=O)[N-]O[C@H]2CCCCO2)c(Cl)c1OC ZINC000822917347 787460444 /nfs/dbraw/zinc/46/04/44/787460444.db2.gz AWHCIAFUXSYGMG-ZDUSSCGKSA-N -1 1 329.780 2.474 20 0 EEADMM C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000911509003 787504061 /nfs/dbraw/zinc/50/40/61/787504061.db2.gz QKJUXPMZVAZXHG-LTIDMASMSA-N -1 1 330.428 2.439 20 0 EEADMM Cc1cc([C@@H]2CCCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)C2)n[nH]1 ZINC000911741539 787676553 /nfs/dbraw/zinc/67/65/53/787676553.db2.gz CHVUOCREXWUFCU-CYBMUJFWSA-N -1 1 331.416 2.459 20 0 EEADMM Cc1cccc(OCC(=O)NNC(=O)c2c([O-])cccc2Cl)c1 ZINC000141509225 787811293 /nfs/dbraw/zinc/81/12/93/787811293.db2.gz DIQORFUGXSXVJC-UHFFFAOYSA-N -1 1 334.759 2.194 20 0 EEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCC(C)C ZINC000912537401 788231610 /nfs/dbraw/zinc/23/16/10/788231610.db2.gz GRGIHCPEMJWGLO-YPMHNXCESA-N -1 1 343.449 2.080 20 0 EEADMM COc1cncc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)c1 ZINC000824965785 788356235 /nfs/dbraw/zinc/35/62/35/788356235.db2.gz XWFLQRNIRUUDNS-UHFFFAOYSA-N -1 1 347.802 2.412 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nn[n-]n1 ZINC000912859694 788416346 /nfs/dbraw/zinc/41/63/46/788416346.db2.gz DIOZYTDSXGRYNR-ZETCQYMHSA-N -1 1 347.231 2.126 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860404 788418230 /nfs/dbraw/zinc/41/82/30/788418230.db2.gz OOAKWMNFBGEFOI-LBPRGKRZSA-N -1 1 349.460 2.097 20 0 EEADMM CSCC[C@H](NC(=O)COc1ccccc1C(C)C)c1nn[n-]n1 ZINC000912860455 788419087 /nfs/dbraw/zinc/41/90/87/788419087.db2.gz UPDHZZLYFVOGNE-ZDUSSCGKSA-N -1 1 349.460 2.313 20 0 EEADMM CSCC[C@H](NC(=O)[C@]1(c2ccccc2)CC1(C)C)c1nn[n-]n1 ZINC000912863183 788427259 /nfs/dbraw/zinc/42/72/59/788427259.db2.gz NZKKNUYVGRVNFF-SUMWQHHRSA-N -1 1 345.472 2.478 20 0 EEADMM CC(C)=CC(=O)N[C@@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001077700932 788498766 /nfs/dbraw/zinc/49/87/66/788498766.db2.gz YYPCPCSSDXOJPG-LBPRGKRZSA-N -1 1 348.447 2.205 20 0 EEADMM CCC1CCC(N(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825194681 788520734 /nfs/dbraw/zinc/52/07/34/788520734.db2.gz RVSRPEMGYFOZFG-UHFFFAOYSA-N -1 1 332.408 2.133 20 0 EEADMM CCC1CCC(N(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825194681 788520739 /nfs/dbraw/zinc/52/07/39/788520739.db2.gz RVSRPEMGYFOZFG-UHFFFAOYSA-N -1 1 332.408 2.133 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F ZINC001032369572 788575921 /nfs/dbraw/zinc/57/59/21/788575921.db2.gz IXEDHUOMTTZXNB-GJZGRUSLSA-N -1 1 341.386 2.068 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2Cc1c(F)cccc1F ZINC001032370388 788584696 /nfs/dbraw/zinc/58/46/96/788584696.db2.gz UPRCWRPOACDRJG-RYUDHWBXSA-N -1 1 345.349 2.164 20 0 EEADMM Cc1cc(C)nc(NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001060241576 788691746 /nfs/dbraw/zinc/69/17/46/788691746.db2.gz NJXOTKVNVVKYGK-AWEZNQCLSA-N -1 1 341.415 2.301 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000844060162 788827408 /nfs/dbraw/zinc/82/74/08/788827408.db2.gz VPIRGBNMADYJTJ-JTQLQIEISA-N -1 1 348.296 2.205 20 0 EEADMM CCC[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccn1 ZINC000913438315 788874102 /nfs/dbraw/zinc/87/41/02/788874102.db2.gz QPEQOIPWNVYEQX-GOEBONIOSA-N -1 1 336.399 2.384 20 0 EEADMM Cn1cc([C@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCN2)cn1 ZINC000913472792 788915777 /nfs/dbraw/zinc/91/57/77/788915777.db2.gz HEDSCOIGQYNCIL-QGZVFWFLSA-N -1 1 336.395 2.066 20 0 EEADMM COc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055107030 789064279 /nfs/dbraw/zinc/06/42/79/789064279.db2.gz TUQWNPMZAXEVQB-UHFFFAOYSA-N -1 1 336.369 2.025 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(-c3ccon3)c2)C1 ZINC000923219488 789152305 /nfs/dbraw/zinc/15/23/05/789152305.db2.gz CIGVWTNTQWYOMF-CYBMUJFWSA-N -1 1 329.356 2.077 20 0 EEADMM Cc1ccc(C(=O)NNC(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000056336392 789371680 /nfs/dbraw/zinc/37/16/80/789371680.db2.gz BRNKZJBJXWMQLR-UHFFFAOYSA-N -1 1 330.300 2.075 20 0 EEADMM O=C(OCc1cc2n(n1)CCCC2)c1nn(-c2ccccc2)cc1[O-] ZINC000845076698 789569378 /nfs/dbraw/zinc/56/93/78/789569378.db2.gz MZWFYPAFITXKNF-UHFFFAOYSA-N -1 1 338.367 2.468 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](c2ccccn2)C(C)C)co1 ZINC000166048541 789611942 /nfs/dbraw/zinc/61/19/42/789611942.db2.gz YBGQMQSCGXSDAD-CQSZACIVSA-N -1 1 338.385 2.137 20 0 EEADMM O=C(NC1CN([C@@H]2CCc3c2c(F)ccc3F)C1)c1ncccc1[O-] ZINC001030241261 789864747 /nfs/dbraw/zinc/86/47/47/789864747.db2.gz BONRJTIFSRJPEQ-CQSZACIVSA-N -1 1 345.349 2.167 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCO)c2)c1 ZINC000058584037 789934236 /nfs/dbraw/zinc/93/42/36/789934236.db2.gz YXUNFYVGFWKKIK-UHFFFAOYSA-N -1 1 349.408 2.253 20 0 EEADMM Cc1coc(C)c1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839239 789938906 /nfs/dbraw/zinc/93/89/06/789938906.db2.gz IZNNHVCXFBMRGN-UHFFFAOYSA-N -1 1 343.383 2.080 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840171 789939627 /nfs/dbraw/zinc/93/96/27/789939627.db2.gz UNEKPBYHMIJEEL-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CC1(C)CC(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])C1 ZINC000946191010 790045204 /nfs/dbraw/zinc/04/52/04/790045204.db2.gz DVNDWNQMZASEEB-JSGCOSHPSA-N -1 1 345.443 2.238 20 0 EEADMM COc1ccc([C@H](O)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001144771747 790125065 /nfs/dbraw/zinc/12/50/65/790125065.db2.gz IKMUSZGIAWVKBQ-KRWDZBQOSA-N -1 1 339.351 2.259 20 0 EEADMM CN(C)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1F ZINC000062346587 791559535 /nfs/dbraw/zinc/55/95/35/791559535.db2.gz MYQZBMGELYRSCR-UHFFFAOYSA-N -1 1 344.342 2.005 20 0 EEADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC000946412996 791570363 /nfs/dbraw/zinc/57/03/63/791570363.db2.gz OCFFQQIQGVAYGB-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cc(C)nc(NCC2(CCNC(=O)c3ncccc3[O-])CC2)n1 ZINC001089927259 792271019 /nfs/dbraw/zinc/27/10/19/792271019.db2.gz QAPLYPYGAQBKIW-UHFFFAOYSA-N -1 1 341.415 2.206 20 0 EEADMM COC1CCC(CC(=O)NNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000089485015 792445887 /nfs/dbraw/zinc/44/58/87/792445887.db2.gz YQSIMRFUZYXBBH-UHFFFAOYSA-N -1 1 340.807 2.402 20 0 EEADMM C[C@@]1(C(=O)NC2CC(CNC(=O)c3ncccc3[O-])C2)CC=CCC1 ZINC000992056434 792501082 /nfs/dbraw/zinc/50/10/82/792501082.db2.gz QCXDJXYGKBSXBG-SVGDTCPJSA-N -1 1 343.427 2.158 20 0 EEADMM Cc1cc(NC[C@H]2CCCC[C@@H]2NC(=O)c2ncccc2[O-])ncn1 ZINC001064171801 792592610 /nfs/dbraw/zinc/59/26/10/792592610.db2.gz QXSCSNDPZFLHGB-KGLIPLIRSA-N -1 1 341.415 2.286 20 0 EEADMM CN(CCCCCCNc1cc(F)ncn1)C(=O)c1ncccc1[O-] ZINC001091737391 792598026 /nfs/dbraw/zinc/59/80/26/792598026.db2.gz OINSOFLYSHIBDA-UHFFFAOYSA-N -1 1 347.394 2.461 20 0 EEADMM CC1(C)CC[C@@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)C1 ZINC001064443040 793129258 /nfs/dbraw/zinc/12/92/58/793129258.db2.gz LVYHKDATGKTRCF-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1)C1CCCC1 ZINC001064610340 793430213 /nfs/dbraw/zinc/43/02/13/793430213.db2.gz ASZBBHXFBQJJMR-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CCc1cc(C)nc(N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089273402 793931749 /nfs/dbraw/zinc/93/17/49/793931749.db2.gz WXKJJAPQRVIFMC-NEPJUHHUSA-N -1 1 343.431 2.457 20 0 EEADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743382 794204616 /nfs/dbraw/zinc/20/46/16/794204616.db2.gz SOFOKNJFVNAITO-LLVKDONJSA-N -1 1 349.822 2.335 20 0 EEADMM O=C(Cc1cc(Cl)ccc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913743022 794205171 /nfs/dbraw/zinc/20/51/71/794205171.db2.gz BDMDDBHJGYKUPN-UHFFFAOYSA-N -1 1 340.214 2.455 20 0 EEADMM COc1ccc([C@H](C)CC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743577 794206923 /nfs/dbraw/zinc/20/69/23/794206923.db2.gz BIABFQJPAXGFPJ-GFCCVEGCSA-N -1 1 329.404 2.108 20 0 EEADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745171 794211339 /nfs/dbraw/zinc/21/13/39/794211339.db2.gz RRVCSAGPZDCIIH-JKSUJKDBSA-N -1 1 325.416 2.272 20 0 EEADMM CCOc1ccc(C[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913746436 794223515 /nfs/dbraw/zinc/22/35/15/794223515.db2.gz TUADQKMNKPZZGJ-ZDUSSCGKSA-N -1 1 343.431 2.183 20 0 EEADMM CN(CC(=O)OC(C)(C)C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000152128428 794591427 /nfs/dbraw/zinc/59/14/27/794591427.db2.gz HJSVQUQFMDSYKC-UHFFFAOYSA-N -1 1 335.433 2.234 20 0 EEADMM C[C@@H]1CN(Cc2cccc(Cl)n2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079609844 794987423 /nfs/dbraw/zinc/98/74/23/794987423.db2.gz ZXLOOYANLHGKSP-DGCLKSJQSA-N -1 1 346.818 2.086 20 0 EEADMM CC[C@@H](C)CCC(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080338710 795898211 /nfs/dbraw/zinc/89/82/11/795898211.db2.gz KIFYRMWZZVBHGU-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)[C@H]2C)c1[O-] ZINC000993225015 796122318 /nfs/dbraw/zinc/12/23/18/796122318.db2.gz PQCZRZDBDFKRRC-WFASDCNBSA-N -1 1 346.406 2.346 20 0 EEADMM CC[C@H](CC(C)C)C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001078425476 796433059 /nfs/dbraw/zinc/43/30/59/796433059.db2.gz WHIQANMPXRPIAX-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C1CCCC1)C(=O)c1ncccc1[O-] ZINC001002023281 797479597 /nfs/dbraw/zinc/47/95/97/797479597.db2.gz VQRHPCFFYZKBEP-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C)C(=O)c1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001174087210 797694024 /nfs/dbraw/zinc/69/40/24/797694024.db2.gz QECFIDMOBUNRLX-UHFFFAOYSA-N -1 1 334.397 2.241 20 0 EEADMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001174194169 797711928 /nfs/dbraw/zinc/71/19/28/797711928.db2.gz ZLVOWWROSVBBTM-UHFFFAOYSA-N -1 1 347.440 2.455 20 0 EEADMM CCC(C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001002199987 797726570 /nfs/dbraw/zinc/72/65/70/797726570.db2.gz SHFCEUNZLWMCNL-MCIONIFRSA-N -1 1 345.443 2.475 20 0 EEADMM COC(=O)c1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1OC ZINC001174427332 797757564 /nfs/dbraw/zinc/75/75/64/797757564.db2.gz BTDQCCKFBWWSGE-UHFFFAOYSA-N -1 1 347.331 2.185 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CCC1CC1)C(=O)c1ncccc1[O-] ZINC001002284458 797816695 /nfs/dbraw/zinc/81/66/95/797816695.db2.gz PNQPDONZDWOSNW-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM Cn1cc2c(cccc2[N-]c2nonc2-c2cn3ccncc3n2)n1 ZINC001175589719 798155386 /nfs/dbraw/zinc/15/53/86/798155386.db2.gz KQGFBGBOHBWVOX-UHFFFAOYSA-N -1 1 332.327 2.410 20 0 EEADMM CCc1nc(C)c(C[NH+]2CCC(NC(=O)c3ncccc3O)CC2)o1 ZINC001002665057 798418063 /nfs/dbraw/zinc/41/80/63/798418063.db2.gz PDXPFCDBLANLTL-UHFFFAOYSA-N -1 1 344.415 2.040 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C1(C)CCCC1)C(=O)c1ncccc1[O-] ZINC001002720365 798504278 /nfs/dbraw/zinc/50/42/78/798504278.db2.gz OWRZKOZKFJUUOW-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)c1nsc(N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001065245010 798818703 /nfs/dbraw/zinc/81/87/03/798818703.db2.gz IYBHPHXAIUCZOF-MRXNPFEDSA-N -1 1 347.444 2.161 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)cc(F)c2O)c1 ZINC001212492969 799106396 /nfs/dbraw/zinc/10/63/96/799106396.db2.gz OYSIAEBBFHWHSJ-UHFFFAOYSA-N -1 1 344.295 2.386 20 0 EEADMM CN(C)c1nc(NC(=O)C(C)(C)Cc2ccncc2)c(N=O)c(=O)[n-]1 ZINC001178247234 799347485 /nfs/dbraw/zinc/34/74/85/799347485.db2.gz 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/nfs/dbraw/zinc/48/32/51/600483251.db2.gz OXSSBCLSTMNKAT-UHFFFAOYSA-N -1 1 327.271 2.013 20 0 EEADMM C[C@@H]1C(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000828143966 600712994 /nfs/dbraw/zinc/71/29/94/600712994.db2.gz SUAPGTXRCOXTEO-NUEKZKHPSA-N -1 1 328.412 2.350 20 0 EEADMM O=C([O-])[C@H](NCc1ccccc1Cn1cncn1)c1ccccc1F ZINC000833170179 600737287 /nfs/dbraw/zinc/73/72/87/600737287.db2.gz QSPUQPHQCWWEAJ-QGZVFWFLSA-N -1 1 340.358 2.381 20 0 EEADMM CC(C)OC(=O)CCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000826989686 600821368 /nfs/dbraw/zinc/82/13/68/600821368.db2.gz DBYFCQJRWPOLBH-AWEZNQCLSA-N -1 1 334.416 2.237 20 0 EEADMM CCCOc1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000829541128 601127734 /nfs/dbraw/zinc/12/77/34/601127734.db2.gz BGKMAZSMONLYSB-CQSZACIVSA-N -1 1 349.431 2.488 20 0 EEADMM CCc1cc2c(C[NH2+][C@@](C)(COC)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224926 601136123 /nfs/dbraw/zinc/13/61/23/601136123.db2.gz XZEBAHMGMJFYNI-GOSISDBHSA-N -1 1 349.383 2.030 20 0 EEADMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cnc2ccccc12 ZINC000832850226 601139283 /nfs/dbraw/zinc/13/92/83/601139283.db2.gz KOBNAMWWPMLUPR-CYBMUJFWSA-N -1 1 341.411 2.164 20 0 EEADMM CN(CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000830785472 601147780 /nfs/dbraw/zinc/14/77/80/601147780.db2.gz VRRIMWMKOYJABU-LSDHHAIUSA-N -1 1 336.407 2.265 20 0 EEADMM CN(C(=O)CN1CCC[C@]2(CCCOC2)C1)c1ccccc1C(=O)[O-] ZINC000830486411 601307408 /nfs/dbraw/zinc/30/74/08/601307408.db2.gz ZIZDYXVPWKOJDW-IBGZPJMESA-N -1 1 346.427 2.240 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)N[C@@H](C)c2cccs2)CC1 ZINC000827710099 601338079 /nfs/dbraw/zinc/33/80/79/601338079.db2.gz MTQPBWRDRRQMCQ-NEPJUHHUSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828441923 601515896 /nfs/dbraw/zinc/51/58/96/601515896.db2.gz VMEPPACFQNDXSK-SKDRFNHKSA-N -1 1 330.306 2.296 20 0 EEADMM CCc1cc2c(C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224783 601523168 /nfs/dbraw/zinc/52/31/68/601523168.db2.gz VTLPFVDHYYICHS-IINYFYTJSA-N -1 1 331.368 2.214 20 0 EEADMM CCc1cc2c(C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224783 601523169 /nfs/dbraw/zinc/52/31/69/601523169.db2.gz VTLPFVDHYYICHS-IINYFYTJSA-N -1 1 331.368 2.214 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824957630 607520551 /nfs/dbraw/zinc/52/05/51/607520551.db2.gz YFJMMOOFERGKHC-ZDUSSCGKSA-N -1 1 335.415 2.497 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824957630 607520552 /nfs/dbraw/zinc/52/05/52/607520552.db2.gz YFJMMOOFERGKHC-ZDUSSCGKSA-N -1 1 335.415 2.497 20 0 EEADMM O=C([O-])c1cccc(OCCOC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000833331954 602015666 /nfs/dbraw/zinc/01/56/66/602015666.db2.gz VBYGQQKHYSGNRN-CYBMUJFWSA-N -1 1 330.340 2.150 20 0 EEADMM COc1cc(OC)c(NCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000826181392 607551329 /nfs/dbraw/zinc/55/13/29/607551329.db2.gz XRJLGEHXTLRDFQ-UHFFFAOYSA-N -1 1 330.323 2.030 20 0 EEADMM COc1cc(OC)c(NCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000826181392 607551331 /nfs/dbraw/zinc/55/13/31/607551331.db2.gz XRJLGEHXTLRDFQ-UHFFFAOYSA-N -1 1 330.323 2.030 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826292799 607571454 /nfs/dbraw/zinc/57/14/54/607571454.db2.gz MKWDFRJAIGKYND-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1c([C@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829858834 604330839 /nfs/dbraw/zinc/33/08/39/604330839.db2.gz FMLALCFWYIAKKT-GXTWGEPZSA-N -1 1 329.404 2.369 20 0 EEADMM COCCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831696707 604360828 /nfs/dbraw/zinc/36/08/28/604360828.db2.gz IPWCLHRJJJJCCE-OAHLLOKOSA-N -1 1 326.824 2.120 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1)C(=O)[O-] ZINC000833544421 604636420 /nfs/dbraw/zinc/63/64/20/604636420.db2.gz XLMSMWDXOVPQLR-LEWSCRJBSA-N -1 1 347.333 2.426 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n[nH]1 ZINC000832883768 604743391 /nfs/dbraw/zinc/74/33/91/604743391.db2.gz PEIAITDMCAYFBW-GFCCVEGCSA-N -1 1 345.399 2.159 20 0 EEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000833549556 604935702 /nfs/dbraw/zinc/93/57/02/604935702.db2.gz DBHJUSXTNISLMC-ZDUSSCGKSA-N -1 1 348.447 2.017 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000833624644 605112067 /nfs/dbraw/zinc/11/20/67/605112067.db2.gz VRLLCTWTDRTHJS-PBHICJAKSA-N -1 1 330.428 2.114 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(OC)cc1 ZINC000833636010 605112487 /nfs/dbraw/zinc/11/24/87/605112487.db2.gz DLGFZHZXJHAJRQ-WMLDXEAASA-N -1 1 348.443 2.196 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000833623154 605115350 /nfs/dbraw/zinc/11/53/50/605115350.db2.gz DXLIPBJZWQVPSE-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C ZINC000833655320 605132751 /nfs/dbraw/zinc/13/27/51/605132751.db2.gz CVUJXXIBAAZMRB-CABCVRRESA-N -1 1 348.443 2.322 20 0 EEADMM CCN1C[C@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C ZINC000833655320 605132753 /nfs/dbraw/zinc/13/27/53/605132753.db2.gz CVUJXXIBAAZMRB-CABCVRRESA-N -1 1 348.443 2.322 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833610875 605137102 /nfs/dbraw/zinc/13/71/02/605137102.db2.gz YKUCSEYZIFIHSA-QLFBSQMISA-N -1 1 325.453 2.003 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@@H]1C ZINC000833655295 605154511 /nfs/dbraw/zinc/15/45/11/605154511.db2.gz CJSIECQYWGRCNE-QWHCGFSZSA-N -1 1 335.404 2.096 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000833771871 605267453 /nfs/dbraw/zinc/26/74/53/605267453.db2.gz SOTAUALKUBABEH-MELADBBJSA-N -1 1 346.431 2.279 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC000833382186 605275510 /nfs/dbraw/zinc/27/55/10/605275510.db2.gz KUNUMKGLIXLESG-YBEMTRGBSA-N -1 1 334.391 2.236 20 0 EEADMM Cc1csc(N2CCN(C[C@H]3CC(C(=O)[O-])=C(C)O3)C[C@@H]2C)n1 ZINC000833580767 605333017 /nfs/dbraw/zinc/33/30/17/605333017.db2.gz SGWNWMPLDQPCJD-WCQYABFASA-N -1 1 337.445 2.110 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822191084 606157084 /nfs/dbraw/zinc/15/70/84/606157084.db2.gz FSMCVLIZYXNOTH-MRVPVSSYSA-N -1 1 346.420 2.161 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)s1 ZINC000822191084 606157086 /nfs/dbraw/zinc/15/70/86/606157086.db2.gz FSMCVLIZYXNOTH-MRVPVSSYSA-N -1 1 346.420 2.161 20 0 EEADMM Cc1cc(C)cc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822196468 606171330 /nfs/dbraw/zinc/17/13/30/606171330.db2.gz KSAWTZGDHPNMPD-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM Cc1cc(C)cc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822196468 606171331 /nfs/dbraw/zinc/17/13/31/606171331.db2.gz KSAWTZGDHPNMPD-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822259470 606195224 /nfs/dbraw/zinc/19/52/24/606195224.db2.gz XUEJQZAIUBXZIB-LLVKDONJSA-N -1 1 339.355 2.287 20 0 EEADMM CCc1nc(C2(NCc3ccc(-c4nn[n-]n4)s3)CCCC2)no1 ZINC000821505014 606414836 /nfs/dbraw/zinc/41/48/36/606414836.db2.gz ONYXRDKZCAKCJU-UHFFFAOYSA-N -1 1 345.432 2.433 20 0 EEADMM O=C(NCCSc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823220107 606497543 /nfs/dbraw/zinc/49/75/43/606497543.db2.gz XMANGUZQEJNZIW-UHFFFAOYSA-N -1 1 331.426 2.450 20 0 EEADMM O=C(NCCSc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823220107 606497544 /nfs/dbraw/zinc/49/75/44/606497544.db2.gz XMANGUZQEJNZIW-UHFFFAOYSA-N -1 1 331.426 2.450 20 0 EEADMM Cc1ccc(C(C)C)c(OCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000822229300 606530880 /nfs/dbraw/zinc/53/08/80/606530880.db2.gz RIPHBABYWLOLMU-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM Cc1ccc(C(C)C)c(OCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000822229300 606530882 /nfs/dbraw/zinc/53/08/82/606530882.db2.gz RIPHBABYWLOLMU-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM COC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821683570 606546282 /nfs/dbraw/zinc/54/62/82/606546282.db2.gz FABACKFRLIOWNN-LLVKDONJSA-N -1 1 329.385 2.046 20 0 EEADMM COC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821683570 606546284 /nfs/dbraw/zinc/54/62/84/606546284.db2.gz FABACKFRLIOWNN-LLVKDONJSA-N -1 1 329.385 2.046 20 0 EEADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821094951 606553161 /nfs/dbraw/zinc/55/31/61/606553161.db2.gz UYAONIVUGKPRMS-NSHDSACASA-N -1 1 335.433 2.350 20 0 EEADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821094951 606553162 /nfs/dbraw/zinc/55/31/62/606553162.db2.gz UYAONIVUGKPRMS-NSHDSACASA-N -1 1 335.433 2.350 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821164393 606554844 /nfs/dbraw/zinc/55/48/44/606554844.db2.gz DIYSUMUFLCMGSL-UHFFFAOYSA-N -1 1 342.428 2.314 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821164393 606554845 /nfs/dbraw/zinc/55/48/45/606554845.db2.gz DIYSUMUFLCMGSL-UHFFFAOYSA-N -1 1 342.428 2.314 20 0 EEADMM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823155612 606557220 /nfs/dbraw/zinc/55/72/20/606557220.db2.gz VBPHAAYZANMFOE-JTQLQIEISA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823155612 606557222 /nfs/dbraw/zinc/55/72/22/606557222.db2.gz VBPHAAYZANMFOE-JTQLQIEISA-N -1 1 345.359 2.321 20 0 EEADMM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821510350 606729212 /nfs/dbraw/zinc/72/92/12/606729212.db2.gz ZMTHPZCQTAJHGG-SECBINFHSA-N -1 1 345.798 2.016 20 0 EEADMM CCc1nc2n(n1)CCC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821510350 606729215 /nfs/dbraw/zinc/72/92/15/606729215.db2.gz ZMTHPZCQTAJHGG-SECBINFHSA-N -1 1 345.798 2.016 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823436074 606751675 /nfs/dbraw/zinc/75/16/75/606751675.db2.gz GAMUCIFJPGHZDV-HUUCEWRRSA-N -1 1 335.367 2.184 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823436074 606751676 /nfs/dbraw/zinc/75/16/76/606751676.db2.gz GAMUCIFJPGHZDV-HUUCEWRRSA-N -1 1 335.367 2.184 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOc2cccc(F)c21 ZINC000823483269 606965602 /nfs/dbraw/zinc/96/56/02/606965602.db2.gz GBMSBMDMKVOCQT-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOc2cccc(F)c21 ZINC000823483269 606965603 /nfs/dbraw/zinc/96/56/03/606965603.db2.gz GBMSBMDMKVOCQT-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823074521 607110372 /nfs/dbraw/zinc/11/03/72/607110372.db2.gz UDZIXKTVWNEGIO-UHFFFAOYSA-N -1 1 343.347 2.125 20 0 EEADMM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823074521 607110374 /nfs/dbraw/zinc/11/03/74/607110374.db2.gz UDZIXKTVWNEGIO-UHFFFAOYSA-N -1 1 343.347 2.125 20 0 EEADMM Cc1ccsc1CNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826316562 607866270 /nfs/dbraw/zinc/86/62/70/607866270.db2.gz RUFSYISFIZYCIW-UHFFFAOYSA-N -1 1 347.375 2.071 20 0 EEADMM Cc1ccsc1CNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826316562 607866271 /nfs/dbraw/zinc/86/62/71/607866271.db2.gz RUFSYISFIZYCIW-UHFFFAOYSA-N -1 1 347.375 2.071 20 0 EEADMM COc1ccc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1O ZINC000826192832 608015934 /nfs/dbraw/zinc/01/59/34/608015934.db2.gz DKEFDAPUOLPDJU-UHFFFAOYSA-N -1 1 346.778 2.266 20 0 EEADMM COc1ccc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1O ZINC000826192832 608015935 /nfs/dbraw/zinc/01/59/35/608015935.db2.gz DKEFDAPUOLPDJU-UHFFFAOYSA-N -1 1 346.778 2.266 20 0 EEADMM Cc1ccnn1-c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826315410 608135877 /nfs/dbraw/zinc/13/58/77/608135877.db2.gz JCHLILWGCXUWHA-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccnn1-c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826315410 608135878 /nfs/dbraw/zinc/13/58/78/608135878.db2.gz JCHLILWGCXUWHA-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Clc1nsc(N2CCNc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826354173 608176116 /nfs/dbraw/zinc/17/61/16/608176116.db2.gz RTOJWLMIPZCRRO-UHFFFAOYSA-N -1 1 333.808 2.409 20 0 EEADMM Clc1nsc(N2CCNc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826354173 608176118 /nfs/dbraw/zinc/17/61/18/608176118.db2.gz RTOJWLMIPZCRRO-UHFFFAOYSA-N -1 1 333.808 2.409 20 0 EEADMM O=c1[nH]c2c(cc1CNc1snc(Cl)c1-c1nnn[n-]1)CCC2 ZINC000826500994 608184974 /nfs/dbraw/zinc/18/49/74/608184974.db2.gz UYOHXHKPSOBJSN-UHFFFAOYSA-N -1 1 349.807 2.178 20 0 EEADMM O=c1[nH]c2c(cc1CNc1snc(Cl)c1-c1nn[n-]n1)CCC2 ZINC000826500994 608184976 /nfs/dbraw/zinc/18/49/76/608184976.db2.gz UYOHXHKPSOBJSN-UHFFFAOYSA-N -1 1 349.807 2.178 20 0 EEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)CC(C)C ZINC000826103692 608185467 /nfs/dbraw/zinc/18/54/67/608185467.db2.gz KXEUBKDRKQXSTH-SSDOTTSWSA-N -1 1 344.828 2.224 20 0 EEADMM COC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)CC(C)C ZINC000826103692 608185469 /nfs/dbraw/zinc/18/54/69/608185469.db2.gz KXEUBKDRKQXSTH-SSDOTTSWSA-N -1 1 344.828 2.224 20 0 EEADMM O=C(OCc1cc(F)ccc1-c1nn[nH]n1)c1ccc([O-])cc1F ZINC000826464942 608322477 /nfs/dbraw/zinc/32/24/77/608322477.db2.gz SIOBTWKYNQQKQC-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824135070 608417410 /nfs/dbraw/zinc/41/74/10/608417410.db2.gz APPNJZBONZFMFY-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824135070 608417413 /nfs/dbraw/zinc/41/74/13/608417413.db2.gz APPNJZBONZFMFY-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CCOc1ccc(Cl)cc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000825639441 608437100 /nfs/dbraw/zinc/43/71/00/608437100.db2.gz VYZGMAHMNPFWRX-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCOc1ccc(Cl)cc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000825639441 608437101 /nfs/dbraw/zinc/43/71/01/608437101.db2.gz VYZGMAHMNPFWRX-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000826280440 608542554 /nfs/dbraw/zinc/54/25/54/608542554.db2.gz BSRZGUCQJVFJHJ-CYBMUJFWSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1nc(SCc2ccc(F)cc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327615 609180952 /nfs/dbraw/zinc/18/09/52/609180952.db2.gz OCIBURZFXOZTJK-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM CSc1ccccc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826231076 609261914 /nfs/dbraw/zinc/26/19/14/609261914.db2.gz VUWHMZLMTBUJGW-UHFFFAOYSA-N -1 1 341.396 2.475 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccoc1 ZINC000826458928 609288436 /nfs/dbraw/zinc/28/84/36/609288436.db2.gz NBNMZRGCYGHNCB-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c2cc(F)ccc12 ZINC000826451112 609294034 /nfs/dbraw/zinc/29/40/34/609294034.db2.gz QPROLQLANKKZSE-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](F)Cc1ccccc1 ZINC000826451289 609393375 /nfs/dbraw/zinc/39/33/75/609393375.db2.gz ZHFKYFLJLKUPEC-LBPRGKRZSA-N -1 1 327.319 2.092 20 0 EEADMM CC(C)C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000824237489 609426940 /nfs/dbraw/zinc/42/69/40/609426940.db2.gz SIEZBHSXWXTVNV-LBPRGKRZSA-N -1 1 332.408 2.430 20 0 EEADMM CC(C)C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000824237489 609426938 /nfs/dbraw/zinc/42/69/38/609426938.db2.gz SIEZBHSXWXTVNV-LBPRGKRZSA-N -1 1 332.408 2.430 20 0 EEADMM Cc1nc(CN2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)sc1C ZINC000969543395 675099229 /nfs/dbraw/zinc/09/92/29/675099229.db2.gz NAJAALXDQZDOCS-NSHDSACASA-N -1 1 346.456 2.111 20 0 EEADMM COc1cccc([C@@H](CNC(=O)c2cc(C(=O)[O-])co2)N(C)C)c1 ZINC000325543765 675906231 /nfs/dbraw/zinc/90/62/31/675906231.db2.gz BZFPDLIEJXTIIR-CQSZACIVSA-N -1 1 332.356 2.019 20 0 EEADMM Cc1ccc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])cc1F ZINC001038193503 676070119 /nfs/dbraw/zinc/07/01/19/676070119.db2.gz KAGJJULUJOEZDQ-AWEZNQCLSA-N -1 1 329.375 2.239 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc3cccnc32)o1 ZINC000046315244 676192164 /nfs/dbraw/zinc/19/21/64/676192164.db2.gz VURYMVZSGXJJOF-UHFFFAOYSA-N -1 1 346.364 2.093 20 0 EEADMM Nc1nc([O-])c(CC(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000079350256 675436997 /nfs/dbraw/zinc/43/69/97/675436997.db2.gz ABMWEKUCMFBDNM-AWEZNQCLSA-N -1 1 339.420 2.239 20 0 EEADMM Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1sc(N)nc1[O-] ZINC000079926529 675450614 /nfs/dbraw/zinc/45/06/14/675450614.db2.gz MTHOKUWCCOVAFG-AWEZNQCLSA-N -1 1 340.408 2.342 20 0 EEADMM CCC(CC)C(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001010630723 675707337 /nfs/dbraw/zinc/70/73/37/675707337.db2.gz UVBHEARLXZXCOK-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(Cc1ccc2c(c1)COC2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616901 676724471 /nfs/dbraw/zinc/72/44/71/676724471.db2.gz BMBNFMGIVQXUAE-UHFFFAOYSA-N -1 1 325.368 2.272 20 0 EEADMM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627690 676735521 /nfs/dbraw/zinc/73/55/21/676735521.db2.gz ZSTIZQHSPBKIOS-BMIGLBTASA-N -1 1 341.367 2.228 20 0 EEADMM COCc1nc(NC[C@H]2CCN(c3cccc(OC)c3)C2)cc(=O)[n-]1 ZINC000892269694 678485789 /nfs/dbraw/zinc/48/57/89/678485789.db2.gz RBNQOSSOIGIMJK-CYBMUJFWSA-N -1 1 344.415 2.276 20 0 EEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2cc(Cl)ncc2F)s1 ZINC000935051978 679209148 /nfs/dbraw/zinc/20/91/48/679209148.db2.gz UHCNXWQRTPGSDW-UHFFFAOYSA-N -1 1 344.755 2.084 20 0 EEADMM Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC[C@@H]1CCCC[N@H+]1CCF ZINC001024588542 681245276 /nfs/dbraw/zinc/24/52/76/681245276.db2.gz CBOYDAGBAFHLBM-ZDUSSCGKSA-N -1 1 338.427 2.168 20 0 EEADMM CCC(C)(CC)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982828529 681343681 /nfs/dbraw/zinc/34/36/81/681343681.db2.gz RVGDBOOJMCISKK-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982912580 681499635 /nfs/dbraw/zinc/49/96/35/681499635.db2.gz JLZQCAXKKCGAPI-CABCVRRESA-N -1 1 343.427 2.112 20 0 EEADMM CN(C(=O)CC1=CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212057 681686920 /nfs/dbraw/zinc/68/69/20/681686920.db2.gz ROHHSIUAFRQSPM-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CN(C(=O)C1CC2(CCC2)C1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217130 681701466 /nfs/dbraw/zinc/70/14/66/681701466.db2.gz RGLPSLANUQPBHT-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1ccsc1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982669646 682006958 /nfs/dbraw/zinc/00/69/58/682006958.db2.gz FHUXMMMRCBJJAI-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025105070 682038652 /nfs/dbraw/zinc/03/86/52/682038652.db2.gz NPHWQDCROULAHZ-UKRRQHHQSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1cocc1C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983572887 682882644 /nfs/dbraw/zinc/88/26/44/682882644.db2.gz JACVYEYLXKLRIX-QWHCGFSZSA-N -1 1 343.383 2.160 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cc3c(s2)CCCC3)C1 ZINC000909406801 682901441 /nfs/dbraw/zinc/90/14/41/682901441.db2.gz SGXZPOLIWOATRG-CYBMUJFWSA-N -1 1 336.457 2.040 20 0 EEADMM CCc1ccc(N2CCN(c3cc(=O)[n-]c(COC)n3)CC2)cc1 ZINC000892728379 682947774 /nfs/dbraw/zinc/94/77/74/682947774.db2.gz BIZXQDMLAXIPAY-UHFFFAOYSA-N -1 1 328.416 2.218 20 0 EEADMM COCc1nc(N2CCN(c3cccc4[nH]ccc43)CC2)cc(=O)[n-]1 ZINC000894766767 683081667 /nfs/dbraw/zinc/08/16/67/683081667.db2.gz WWSOTCPXYHEEII-UHFFFAOYSA-N -1 1 339.399 2.137 20 0 EEADMM CC(C)CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973728213 683191679 /nfs/dbraw/zinc/19/16/79/683191679.db2.gz WYNJYKZVBCAQSU-HUUCEWRRSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)c1ccccc1OCCNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909409755 683197178 /nfs/dbraw/zinc/19/71/78/683197178.db2.gz ZBCJHTHDJCDPIR-HNNXBMFYSA-N -1 1 348.443 2.102 20 0 EEADMM CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000894968358 683437390 /nfs/dbraw/zinc/43/73/90/683437390.db2.gz VXOIREBEKJRVGV-DGCLKSJQSA-N -1 1 341.791 2.276 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc3ccoc32)CC1 ZINC000899538386 693782653 /nfs/dbraw/zinc/78/26/53/693782653.db2.gz NZTWXDHZIOCSNR-NSHDSACASA-N -1 1 334.347 2.193 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978740287 693863590 /nfs/dbraw/zinc/86/35/90/693863590.db2.gz AHWYTFMRSXZPJD-BYNSBNAKSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978740323 693863683 /nfs/dbraw/zinc/86/36/83/693863683.db2.gz AZKMCBRUFUHFOE-KBXIAJHMSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000190832551 684706215 /nfs/dbraw/zinc/70/62/15/684706215.db2.gz UFNYNFNVBUBPJC-UHFFFAOYSA-N -1 1 347.371 2.270 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000975219686 686313318 /nfs/dbraw/zinc/31/33/18/686313318.db2.gz KUAIXAGGSAKWRO-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC000975225795 686319427 /nfs/dbraw/zinc/31/94/27/686319427.db2.gz PHNYYUBRDAACQS-CQSZACIVSA-N -1 1 339.395 2.069 20 0 EEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866930122 686969533 /nfs/dbraw/zinc/96/95/33/686969533.db2.gz LLGHFDDWKSEQJZ-NOZJJQNGSA-N -1 1 334.438 2.011 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001027304918 687328356 /nfs/dbraw/zinc/32/83/56/687328356.db2.gz CXVZUCULIXOHET-GFCCVEGCSA-N -1 1 348.472 2.476 20 0 EEADMM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)nc2F)cs1 ZINC000866936991 688125184 /nfs/dbraw/zinc/12/51/84/688125184.db2.gz DFEQMLUEQQLPLL-SSDOTTSWSA-N -1 1 349.384 2.002 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC000986588555 688749969 /nfs/dbraw/zinc/74/99/69/688749969.db2.gz APJXARWXDYLCRZ-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H](NC(=O)c1ccoc1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000986857836 688980255 /nfs/dbraw/zinc/98/02/55/688980255.db2.gz VXWIPPYGVXKMGY-GFCCVEGCSA-N -1 1 343.383 2.051 20 0 EEADMM CC[C@H](C)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000986903562 689047810 /nfs/dbraw/zinc/04/78/10/689047810.db2.gz YQCSUYNCKBZYPV-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(Cc1n[nH]c2c1CCCC2)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000909666207 689133934 /nfs/dbraw/zinc/13/39/34/689133934.db2.gz RCTNGYFKMIHHSU-MRXNPFEDSA-N -1 1 333.432 2.371 20 0 EEADMM O=C(N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000987000160 689203957 /nfs/dbraw/zinc/20/39/57/689203957.db2.gz ANSRCZFGWPUJJK-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)[C@H]1CC12CC2 ZINC000987002233 689207743 /nfs/dbraw/zinc/20/77/43/689207743.db2.gz IJWCGXJHDBTNIY-ZIAGYGMSSA-N -1 1 343.427 2.088 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)CCC2CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987888692 690131123 /nfs/dbraw/zinc/13/11/23/690131123.db2.gz RZQKXTNTXWCUFW-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM C/C=C(/C)C(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000988501107 690760595 /nfs/dbraw/zinc/76/05/95/690760595.db2.gz PRGQNLGNSDNUPR-PQMHYQBVSA-N -1 1 331.416 2.064 20 0 EEADMM CCC(Nc1cc(C)ccn1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054502080 690900031 /nfs/dbraw/zinc/90/00/31/690900031.db2.gz MTOIAHALLCRGPP-OWBHPGMISA-N -1 1 346.456 2.365 20 0 EEADMM O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897945415 691831001 /nfs/dbraw/zinc/83/10/01/691831001.db2.gz CQICPYMNVDAJJO-MLGOLLRUSA-N -1 1 340.379 2.134 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])cc1 ZINC000977605541 692814678 /nfs/dbraw/zinc/81/46/78/692814678.db2.gz ZFAXQSCFWSRWJY-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM CN(C[C@H]1CCN1C(=O)CC1CCCCC1)C(=O)c1ncccc1[O-] ZINC000977607049 692817135 /nfs/dbraw/zinc/81/71/35/692817135.db2.gz DSMDSALNGBITLN-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@@H]2CCn3c(C)cnc32)c(=O)[n-]1 ZINC000893520460 692931142 /nfs/dbraw/zinc/93/11/42/692931142.db2.gz VNDCWFVFSFLRFI-GFCCVEGCSA-N -1 1 348.428 2.338 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CCCC12CC2 ZINC000977925858 693148124 /nfs/dbraw/zinc/14/81/24/693148124.db2.gz ODIUULBEBBMVLS-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000898754758 693447803 /nfs/dbraw/zinc/44/78/03/693447803.db2.gz KLVURLUXLHRSIW-KBPBESRZSA-N -1 1 327.384 2.163 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CCCC2 ZINC000978388183 693549278 /nfs/dbraw/zinc/54/92/78/693549278.db2.gz IMSXVWDCAIUWOO-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM 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WJXPLRDYRWGBHH-LBPRGKRZSA-N -1 1 332.412 2.081 20 0 EEADMM Cc1nn(C)cc1CCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC001326622537 1334127076 /nfs/dbraw/zinc/12/70/76/1334127076.db2.gz CKHSBFAKNJSWLZ-UHFFFAOYSA-N -1 1 342.351 2.217 20 0 EEADMM CCOc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001609244603 1351906726 /nfs/dbraw/zinc/90/67/26/1351906726.db2.gz AYKGPKVCEDMJNP-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001609244603 1351906728 /nfs/dbraw/zinc/90/67/28/1351906728.db2.gz AYKGPKVCEDMJNP-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)o1)C1C2CC3CC(C2)CC1C3 ZINC001609262831 1351914535 /nfs/dbraw/zinc/91/45/35/1351914535.db2.gz WUKGZPFQTCJWFI-UHFFFAOYSA-N -1 1 327.388 2.356 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)C1C2CC3CC(C2)CC1C3 ZINC001609262831 1351914542 /nfs/dbraw/zinc/91/45/42/1351914542.db2.gz WUKGZPFQTCJWFI-UHFFFAOYSA-N -1 1 327.388 2.356 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2nc(C(C)(C)C)cs2)n1 ZINC001609392182 1351957556 /nfs/dbraw/zinc/95/75/56/1351957556.db2.gz IOUDGKCOGXBHDK-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2nc(C(C)(C)C)cs2)n1 ZINC001609392182 1351957559 /nfs/dbraw/zinc/95/75/59/1351957559.db2.gz IOUDGKCOGXBHDK-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609424099 1351971424 /nfs/dbraw/zinc/97/14/24/1351971424.db2.gz MXTNNARHDJZEEG-UHFFFAOYSA-N -1 1 340.748 2.189 20 0 EEADMM Cc1ccc(F)c2c1N(C(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001609424041 1351971602 /nfs/dbraw/zinc/97/16/02/1351971602.db2.gz JTSLJSFGRXSJAS-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c2c1N(C(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001609424041 1351971606 /nfs/dbraw/zinc/97/16/06/1351971606.db2.gz JTSLJSFGRXSJAS-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Clc1ccc(N2CCN(c3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC001609473156 1351990981 /nfs/dbraw/zinc/99/09/81/1351990981.db2.gz MQFHOGOEUOPXMG-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccc(N2CCN(c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001609473156 1351990986 /nfs/dbraw/zinc/99/09/86/1351990986.db2.gz MQFHOGOEUOPXMG-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609491378 1351996776 /nfs/dbraw/zinc/99/67/76/1351996776.db2.gz BRGUOVZTGAIBKF-NSHDSACASA-N -1 1 346.391 2.466 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609491378 1351996778 /nfs/dbraw/zinc/99/67/78/1351996778.db2.gz BRGUOVZTGAIBKF-NSHDSACASA-N -1 1 346.391 2.466 20 0 EEADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609536174 1352009039 /nfs/dbraw/zinc/00/90/39/1352009039.db2.gz ZILCWQXLGNNFQL-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609536174 1352009044 /nfs/dbraw/zinc/00/90/44/1352009044.db2.gz ZILCWQXLGNNFQL-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545421 1352011940 /nfs/dbraw/zinc/01/19/40/1352011940.db2.gz BPOLHKQRXVUSSW-RYUDHWBXSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545421 1352011941 /nfs/dbraw/zinc/01/19/41/1352011941.db2.gz BPOLHKQRXVUSSW-RYUDHWBXSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547913 1352012170 /nfs/dbraw/zinc/01/21/70/1352012170.db2.gz ZYATZSSUIIIYGW-FZMZJTMJSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547913 1352012176 /nfs/dbraw/zinc/01/21/76/1352012176.db2.gz ZYATZSSUIIIYGW-FZMZJTMJSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2ccc(Cl)cc21 ZINC001609583409 1352026763 /nfs/dbraw/zinc/02/67/63/1352026763.db2.gz XCEZGOMHNTXLLV-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2ccc(Cl)cc21 ZINC001609583409 1352026760 /nfs/dbraw/zinc/02/67/60/1352026760.db2.gz XCEZGOMHNTXLLV-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM c1csc(-c2nnc(NCc3nc(-c4nnn[n-]4)cs3)o2)c1 ZINC001609620488 1352042961 /nfs/dbraw/zinc/04/29/61/1352042961.db2.gz YTYDMFHQOCEVQX-UHFFFAOYSA-N -1 1 332.374 2.047 20 0 EEADMM c1csc(-c2nnc(NCc3nc(-c4nn[n-]n4)cs3)o2)c1 ZINC001609620488 1352042966 /nfs/dbraw/zinc/04/29/66/1352042966.db2.gz YTYDMFHQOCEVQX-UHFFFAOYSA-N -1 1 332.374 2.047 20 0 EEADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccc(Cl)c1 ZINC001609632841 1352046120 /nfs/dbraw/zinc/04/61/20/1352046120.db2.gz HWMLLZPOKDTRMZ-STQMWFEESA-N -1 1 338.835 2.451 20 0 EEADMM CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC001609664966 1352053652 /nfs/dbraw/zinc/05/36/52/1352053652.db2.gz NFSQRDSWZNXQAL-UWVGGRQHSA-N -1 1 340.342 2.239 20 0 EEADMM CC(C)C[C@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609694097 1352061447 /nfs/dbraw/zinc/06/14/47/1352061447.db2.gz NWTWVDDSKOFOBZ-HNNXBMFYSA-N -1 1 336.407 2.410 20 0 EEADMM CC(C)c1ncc(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)[nH]1 ZINC001609721364 1352068403 /nfs/dbraw/zinc/06/84/03/1352068403.db2.gz LHYRJXWFPHAAAV-UHFFFAOYSA-N -1 1 348.428 2.255 20 0 EEADMM CCN(CC)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1CC ZINC001339544228 1337024934 /nfs/dbraw/zinc/02/49/34/1337024934.db2.gz KKYMLEHMIUSFJS-UHFFFAOYSA-N -1 1 339.403 2.369 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(O)c3ccccc3c2)CCN1CCC(=O)[O-] ZINC001609864682 1352106145 /nfs/dbraw/zinc/10/61/45/1352106145.db2.gz DRSMYQYTEDKCLQ-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H](CF)C1 ZINC001341483681 1337292555 /nfs/dbraw/zinc/29/25/55/1337292555.db2.gz XBMCAVYJTXACQG-VIFPVBQESA-N -1 1 325.775 2.422 20 0 EEADMM O=C(c1ccc2c(c1)-c1ccccc1C2)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347974118 1337528385 /nfs/dbraw/zinc/52/83/85/1337528385.db2.gz IDTOFGPEBUKDJG-OAHLLOKOSA-N -1 1 331.379 2.401 20 0 EEADMM C[C@@H](CSCCNCc1c(Cl)nc(Cl)n1C)C(=O)[O-] ZINC001350654265 1337732966 /nfs/dbraw/zinc/73/29/66/1337732966.db2.gz XPDFISHFRZRUSQ-ZETCQYMHSA-N -1 1 326.249 2.270 20 0 EEADMM CCCCCNC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001200055986 1337957592 /nfs/dbraw/zinc/95/75/92/1337957592.db2.gz BYHZKSJJDVIBPH-UHFFFAOYSA-N -1 1 345.490 2.119 20 0 EEADMM O=C(COc1ccccc1-c1ccccc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352596563 1337993547 /nfs/dbraw/zinc/99/35/47/1337993547.db2.gz RKDUJKNLMSEJKU-HNNXBMFYSA-N -1 1 349.394 2.262 20 0 EEADMM CNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001610144221 1352172753 /nfs/dbraw/zinc/17/27/53/1352172753.db2.gz TWJAKPCIMKPONF-INIZCTEOSA-N -1 1 330.359 2.409 20 0 EEADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1[C@H](C)CCc1cccc(F)c1 ZINC001610162154 1352176407 /nfs/dbraw/zinc/17/64/07/1352176407.db2.gz JBZQZHXWTKUCPE-XPKDYRNWSA-N -1 1 337.391 2.485 20 0 EEADMM COC(=O)c1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)oc1C ZINC001610197158 1352183207 /nfs/dbraw/zinc/18/32/07/1352183207.db2.gz OAIJANMSDBJQRT-ZDUSSCGKSA-N -1 1 335.278 2.214 20 0 EEADMM COC(=O)c1oc([C@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1C ZINC001610220137 1352189435 /nfs/dbraw/zinc/18/94/35/1352189435.db2.gz CANJIUPIDLUGFX-WDEREUQCSA-N -1 1 327.402 2.328 20 0 EEADMM COc1cc(CN2CCC[C@@H]2C(=O)NCC(=O)[O-])cc2ccccc21 ZINC001610297265 1352201232 /nfs/dbraw/zinc/20/12/32/1352201232.db2.gz INOCAPCYDKLXPY-MRXNPFEDSA-N -1 1 342.395 2.014 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)n1C ZINC001610409178 1352218445 /nfs/dbraw/zinc/21/84/45/1352218445.db2.gz OXYPHVFMUQEBIF-YVEFUNNKSA-N -1 1 341.411 2.315 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC001610489535 1352231369 /nfs/dbraw/zinc/23/13/69/1352231369.db2.gz IGGGSMMZGTZTHR-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc(CNCc2cc(C(=O)[O-])n(C)c2)c(N2CCCC2)n1 ZINC001610501816 1352234171 /nfs/dbraw/zinc/23/41/71/1352234171.db2.gz UUTUQDXDPCRCAN-UHFFFAOYSA-N -1 1 328.416 2.317 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C1C=CC=CC=C1)NC(=O)c1ncccc1[O-] ZINC001428599045 1339592517 /nfs/dbraw/zinc/59/25/17/1339592517.db2.gz YXYMJHPWSAQCTB-ZIAGYGMSSA-N -1 1 341.411 2.099 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN[C@@H]3CCCCNC3=O)o2)cc1 ZINC001610819142 1352279974 /nfs/dbraw/zinc/27/99/74/1352279974.db2.gz UVVHTVJSYVQWMQ-OAHLLOKOSA-N -1 1 328.368 2.403 20 0 EEADMM CC(C)C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001431097656 1340449008 /nfs/dbraw/zinc/44/90/08/1340449008.db2.gz GQCDRIWDDYMVOB-JTQLQIEISA-N -1 1 347.337 2.000 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(F)(F)F ZINC001431101391 1340449444 /nfs/dbraw/zinc/44/94/44/1340449444.db2.gz KTJMICGGDNBHBO-JTQLQIEISA-N -1 1 347.337 2.000 20 0 EEADMM CC(C)[C@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001431294279 1340538937 /nfs/dbraw/zinc/53/89/37/1340538937.db2.gz FRQONQDCUBMUCC-ZDUSSCGKSA-N -1 1 333.432 2.094 20 0 EEADMM Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001617915986 1352346089 /nfs/dbraw/zinc/34/60/89/1352346089.db2.gz YWPDXEPRALMYTB-KRWDZBQOSA-N -1 1 338.367 2.461 20 0 EEADMM CC[C@@H](C)C(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001432910648 1341434235 /nfs/dbraw/zinc/43/42/35/1341434235.db2.gz ATDGBHOZBUOYBP-CYBMUJFWSA-N -1 1 341.411 2.380 20 0 EEADMM O=C(c1ccc(F)c([O-])c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC001433617631 1341639397 /nfs/dbraw/zinc/63/93/97/1341639397.db2.gz YDYWVDQUBOJZAE-HNNXBMFYSA-N -1 1 328.343 2.235 20 0 EEADMM CC[C@H](C)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001576623182 1344041430 /nfs/dbraw/zinc/04/14/30/1344041430.db2.gz UDFXLLZCPSGGBX-LBPRGKRZSA-N -1 1 348.476 2.009 20 0 EEADMM CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577407971 1344142762 /nfs/dbraw/zinc/14/27/62/1344142762.db2.gz GTKDVIYWDOTWND-DTWKUNHWSA-N -1 1 337.453 2.127 20 0 EEADMM CCN(CC)c1nnc(C2CCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577906211 1344212179 /nfs/dbraw/zinc/21/21/79/1344212179.db2.gz QEDQOAADLDJAOM-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CCN(CC)c1nnc(C2CCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577906211 1344212184 /nfs/dbraw/zinc/21/21/84/1344212184.db2.gz QEDQOAADLDJAOM-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CCS[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001578417732 1344277105 /nfs/dbraw/zinc/27/71/05/1344277105.db2.gz WDNIZRLEBRVASC-NSHDSACASA-N -1 1 325.463 2.322 20 0 EEADMM CN(Cc1cccs1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001579263531 1344361053 /nfs/dbraw/zinc/36/10/53/1344361053.db2.gz ZGQGFUWUOCRSDI-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1cccs1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001579263531 1344361058 /nfs/dbraw/zinc/36/10/58/1344361058.db2.gz ZGQGFUWUOCRSDI-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1F ZINC001579466215 1344385592 /nfs/dbraw/zinc/38/55/92/1344385592.db2.gz HYYZQMBTGQZNIF-UHFFFAOYSA-N -1 1 346.278 2.029 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1F ZINC001579466215 1344385596 /nfs/dbraw/zinc/38/55/96/1344385596.db2.gz HYYZQMBTGQZNIF-UHFFFAOYSA-N -1 1 346.278 2.029 20 0 EEADMM CO[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001579594415 1344398618 /nfs/dbraw/zinc/39/86/18/1344398618.db2.gz KZIPRXRHEODBAF-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001579594415 1344398626 /nfs/dbraw/zinc/39/86/26/1344398626.db2.gz KZIPRXRHEODBAF-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580137652 1344479936 /nfs/dbraw/zinc/47/99/36/1344479936.db2.gz ZVXBQMOEIPYZTF-GARJFASQSA-N -1 1 345.407 2.217 20 0 EEADMM Cc1c(NC(=O)c2csc(-c3nn[n-]n3)c2)n[nH]c1C(F)(F)F ZINC001580548647 1344533980 /nfs/dbraw/zinc/53/39/80/1344533980.db2.gz XLHWBHCUVRGBKE-UHFFFAOYSA-N -1 1 343.294 2.231 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc12 ZINC001581174182 1344594909 /nfs/dbraw/zinc/59/49/09/1344594909.db2.gz IQNGGZGCRBGZMK-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc12 ZINC001581174182 1344594912 /nfs/dbraw/zinc/59/49/12/1344594912.db2.gz IQNGGZGCRBGZMK-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581258257 1344608345 /nfs/dbraw/zinc/60/83/45/1344608345.db2.gz GLLYFTPKTUCFTA-LBPRGKRZSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581258257 1344608353 /nfs/dbraw/zinc/60/83/53/1344608353.db2.gz GLLYFTPKTUCFTA-LBPRGKRZSA-N -1 1 337.387 2.323 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCCC1(F)F ZINC001582549889 1344761020 /nfs/dbraw/zinc/76/10/20/1344761020.db2.gz LSDCULPUMFARPG-MRVPVSSYSA-N -1 1 342.375 2.163 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccncc1Cl ZINC001582653542 1344778257 /nfs/dbraw/zinc/77/82/57/1344778257.db2.gz JVOYDHCTWXJCJB-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM O=C(O[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001582655371 1344779139 /nfs/dbraw/zinc/77/91/39/1344779139.db2.gz AVBXZZDEHCKZCT-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@H]1CCc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001582655371 1344779140 /nfs/dbraw/zinc/77/91/40/1344779140.db2.gz AVBXZZDEHCKZCT-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc(Cl)cc1)CCC2 ZINC001582806280 1344794782 /nfs/dbraw/zinc/79/47/82/1344794782.db2.gz JFVIPIFZEGEHJE-UHFFFAOYSA-N -1 1 327.775 2.219 20 0 EEADMM OCCc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001582814112 1344795302 /nfs/dbraw/zinc/79/53/02/1344795302.db2.gz UEUNLMBMGUPZKD-UHFFFAOYSA-N -1 1 330.779 2.062 20 0 EEADMM OCCc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001582814112 1344795305 /nfs/dbraw/zinc/79/53/05/1344795305.db2.gz UEUNLMBMGUPZKD-UHFFFAOYSA-N -1 1 330.779 2.062 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001589258429 1348975953 /nfs/dbraw/zinc/97/59/53/1348975953.db2.gz AUADWSPLEKNZPJ-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589258429 1348975954 /nfs/dbraw/zinc/97/59/54/1348975954.db2.gz AUADWSPLEKNZPJ-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)C(=O)[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589394216 1348989385 /nfs/dbraw/zinc/98/93/85/1348989385.db2.gz XJUCFUGXKZUSBQ-CQSZACIVSA-N -1 1 339.355 2.156 20 0 EEADMM CC(C)C(=O)[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589394216 1348989390 /nfs/dbraw/zinc/98/93/90/1348989390.db2.gz XJUCFUGXKZUSBQ-CQSZACIVSA-N -1 1 339.355 2.156 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cnc(-c2nnn[n-]2)cn1 ZINC001589629017 1349013657 /nfs/dbraw/zinc/01/36/57/1349013657.db2.gz YFNQXQOCDAWIQO-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cnc(-c2nn[n-]n2)cn1 ZINC001589629017 1349013659 /nfs/dbraw/zinc/01/36/59/1349013659.db2.gz YFNQXQOCDAWIQO-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)COc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ncn1 ZINC001589647375 1349015222 /nfs/dbraw/zinc/01/52/22/1349015222.db2.gz PGWUQQXPAWGMDY-UHFFFAOYSA-N -1 1 345.388 2.005 20 0 EEADMM CC(C)CSCCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589651608 1349016012 /nfs/dbraw/zinc/01/60/12/1349016012.db2.gz ZEHLAEZWFUFQSY-UHFFFAOYSA-N -1 1 325.463 2.437 20 0 EEADMM CC(C)S(=O)(=O)CCCSc1cccc(F)c1-c1nn[n-]n1 ZINC001589759318 1349031435 /nfs/dbraw/zinc/03/14/35/1349031435.db2.gz NXVMPNCLTNCMAM-UHFFFAOYSA-N -1 1 344.437 2.311 20 0 EEADMM CC(C)c1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccc1O ZINC001589767375 1349033825 /nfs/dbraw/zinc/03/38/25/1349033825.db2.gz WQLMIJHPNYYCQQ-UHFFFAOYSA-N -1 1 338.371 2.272 20 0 EEADMM CC(C)c1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccc1O ZINC001589767375 1349033829 /nfs/dbraw/zinc/03/38/29/1349033829.db2.gz WQLMIJHPNYYCQQ-UHFFFAOYSA-N -1 1 338.371 2.272 20 0 EEADMM CC(C)n1ncc2ccc(NC(=O)c3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001589784928 1349041398 /nfs/dbraw/zinc/04/13/98/1349041398.db2.gz AMKRCPOKZBHVOG-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1ncc2ccc(NC(=O)c3ccnc(-c4nn[n-]n4)c3)cc21 ZINC001589784928 1349041401 /nfs/dbraw/zinc/04/14/01/1349041401.db2.gz AMKRCPOKZBHVOG-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001589946391 1349073383 /nfs/dbraw/zinc/07/33/83/1349073383.db2.gz PFMOBNRZMUPDDJ-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1-n1cccn1 ZINC001589982397 1349092579 /nfs/dbraw/zinc/09/25/79/1349092579.db2.gz XBOMOXAAQAHTFW-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1-n1cccn1 ZINC001589982397 1349092592 /nfs/dbraw/zinc/09/25/92/1349092592.db2.gz XBOMOXAAQAHTFW-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](c1ccccc1)n1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001590048669 1349129280 /nfs/dbraw/zinc/12/92/80/1349129280.db2.gz BXJONVPIZAAHDK-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001590048669 1349129285 /nfs/dbraw/zinc/12/92/85/1349129285.db2.gz BXJONVPIZAAHDK-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C)CCC[C@](O)(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590098586 1349155162 /nfs/dbraw/zinc/15/51/62/1349155162.db2.gz VTTZOWBSALYIMD-QGZVFWFLSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)CCC[C@](O)(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590098586 1349155169 /nfs/dbraw/zinc/15/51/69/1349155169.db2.gz VTTZOWBSALYIMD-QGZVFWFLSA-N -1 1 347.394 2.067 20 0 EEADMM C[C@H]1CCN(c2cc(Br)cnc2-c2nn[n-]n2)C[C@H]1F ZINC001590276436 1349244234 /nfs/dbraw/zinc/24/42/34/1349244234.db2.gz NWAQGWDDDVTRAW-IONNQARKSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@H]1CCN(c2cc(Br)cnc2-c2nnn[n-]2)C[C@H]1F ZINC001590276436 1349244228 /nfs/dbraw/zinc/24/42/28/1349244228.db2.gz NWAQGWDDDVTRAW-IONNQARKSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC2(CCCCC2)O1 ZINC001590299131 1349251934 /nfs/dbraw/zinc/25/19/34/1349251934.db2.gz WDIURLGIZDVXQA-LLVKDONJSA-N -1 1 331.376 2.024 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC2(CCCCC2)O1 ZINC001590299131 1349251935 /nfs/dbraw/zinc/25/19/35/1349251935.db2.gz WDIURLGIZDVXQA-LLVKDONJSA-N -1 1 331.376 2.024 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590337526 1349273115 /nfs/dbraw/zinc/27/31/15/1349273115.db2.gz KNFDMNZCZIIFGZ-SNVBAGLBSA-N -1 1 325.328 2.056 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590337526 1349273119 /nfs/dbraw/zinc/27/31/19/1349273119.db2.gz KNFDMNZCZIIFGZ-SNVBAGLBSA-N -1 1 325.328 2.056 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590355956 1349281455 /nfs/dbraw/zinc/28/14/55/1349281455.db2.gz WUVSDKQGDOEJSF-DLGQBQFBSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590355956 1349281461 /nfs/dbraw/zinc/28/14/61/1349281461.db2.gz WUVSDKQGDOEJSF-DLGQBQFBSA-N -1 1 327.392 2.472 20 0 EEADMM CCC(C)(CC)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590382379 1349293744 /nfs/dbraw/zinc/29/37/44/1349293744.db2.gz WNQCRVHIYVAXMM-UHFFFAOYSA-N -1 1 349.391 2.385 20 0 EEADMM CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590410838 1349311266 /nfs/dbraw/zinc/31/12/66/1349311266.db2.gz SCEUNLARVIGYQJ-JTQLQIEISA-N -1 1 341.412 2.063 20 0 EEADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC001590478035 1349349736 /nfs/dbraw/zinc/34/97/36/1349349736.db2.gz ZVFINHCJOGGGFI-MRVPVSSYSA-N -1 1 338.389 2.205 20 0 EEADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC001590478035 1349349740 /nfs/dbraw/zinc/34/97/40/1349349740.db2.gz ZVFINHCJOGGGFI-MRVPVSSYSA-N -1 1 338.389 2.205 20 0 EEADMM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590504117 1349357170 /nfs/dbraw/zinc/35/71/70/1349357170.db2.gz BFUNVCGFUYIJLE-ONGXEEELSA-N -1 1 331.380 2.065 20 0 EEADMM CC[C@@H]1CCCCN1S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590512331 1349362232 /nfs/dbraw/zinc/36/22/32/1349362232.db2.gz GNDQUOXUVSKBHA-LLVKDONJSA-N -1 1 341.462 2.023 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001590963269 1349425020 /nfs/dbraw/zinc/42/50/20/1349425020.db2.gz DPQYXJDXKPNBHN-UHFFFAOYSA-N -1 1 330.348 2.157 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001590963269 1349425025 /nfs/dbraw/zinc/42/50/25/1349425025.db2.gz DPQYXJDXKPNBHN-UHFFFAOYSA-N -1 1 330.348 2.157 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591336402 1349463379 /nfs/dbraw/zinc/46/33/79/1349463379.db2.gz QEZFKZRIUOWJAF-BZNIZROVSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591336402 1349463386 /nfs/dbraw/zinc/46/33/86/1349463386.db2.gz QEZFKZRIUOWJAF-BZNIZROVSA-N -1 1 342.378 2.319 20 0 EEADMM COc1cc(Cl)ccc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001591540221 1349501953 /nfs/dbraw/zinc/50/19/53/1349501953.db2.gz SGZGXXFDJIJTLT-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM COc1cc(Cl)ccc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001591540221 1349501961 /nfs/dbraw/zinc/50/19/61/1349501961.db2.gz SGZGXXFDJIJTLT-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM CSc1ccccc1[C@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591717183 1349534701 /nfs/dbraw/zinc/53/47/01/1349534701.db2.gz JVQJZZTZZLFNIY-JTQLQIEISA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccccc1[C@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591717183 1349534711 /nfs/dbraw/zinc/53/47/11/1349534711.db2.gz JVQJZZTZZLFNIY-JTQLQIEISA-N -1 1 340.412 2.475 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC001592132676 1349594818 /nfs/dbraw/zinc/59/48/18/1349594818.db2.gz MGMWMINRFRRMDQ-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC001592132676 1349594829 /nfs/dbraw/zinc/59/48/29/1349594829.db2.gz MGMWMINRFRRMDQ-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001592328168 1349622016 /nfs/dbraw/zinc/62/20/16/1349622016.db2.gz RNLCZYFBMILLGF-YUMQZZPRSA-N -1 1 343.313 2.205 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CC(=O)c2ccccc2)n1 ZINC001592341691 1349623090 /nfs/dbraw/zinc/62/30/90/1349623090.db2.gz ZSLAVSDEVSLCLY-AWEZNQCLSA-N -1 1 349.398 2.207 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CC(=O)c2ccccc2)n1 ZINC001592341691 1349623091 /nfs/dbraw/zinc/62/30/91/1349623091.db2.gz ZSLAVSDEVSLCLY-AWEZNQCLSA-N -1 1 349.398 2.207 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592434263 1349632119 /nfs/dbraw/zinc/63/21/19/1349632119.db2.gz SYCWTDSADZMKPG-SECBINFHSA-N -1 1 343.366 2.180 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592434263 1349632120 /nfs/dbraw/zinc/63/21/20/1349632120.db2.gz SYCWTDSADZMKPG-SECBINFHSA-N -1 1 343.366 2.180 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H]2CCC(C)(C)CO2)c1-c1nnn[n-]1 ZINC001592478999 1349635883 /nfs/dbraw/zinc/63/58/83/1349635883.db2.gz JNWXTMUXMOVNHX-VIFPVBQESA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H]2CCC(C)(C)CO2)c1-c1nn[n-]n1 ZINC001592478999 1349635884 /nfs/dbraw/zinc/63/58/84/1349635884.db2.gz JNWXTMUXMOVNHX-VIFPVBQESA-N -1 1 336.421 2.165 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC001592498673 1349637153 /nfs/dbraw/zinc/63/71/53/1349637153.db2.gz CRUYKKXDAJLBCC-KCJUWKMLSA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C[C@H](O)c1cccs1 ZINC001592498673 1349637154 /nfs/dbraw/zinc/63/71/54/1349637154.db2.gz CRUYKKXDAJLBCC-KCJUWKMLSA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1cccc(Cl)c1 ZINC001592500950 1349638182 /nfs/dbraw/zinc/63/81/82/1349638182.db2.gz FSMKNBCJOVVWLK-UHFFFAOYSA-N -1 1 346.730 2.461 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1cccc(Cl)c1 ZINC001592500950 1349638184 /nfs/dbraw/zinc/63/81/84/1349638184.db2.gz FSMKNBCJOVVWLK-UHFFFAOYSA-N -1 1 346.730 2.461 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCC23CCCCC3)c1-c1nnn[n-]1 ZINC001592517576 1349644355 /nfs/dbraw/zinc/64/43/55/1349644355.db2.gz MHMSTTYOSBEMGS-CYBMUJFWSA-N -1 1 344.419 2.325 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCC23CCCCC3)c1-c1nn[n-]n1 ZINC001592517576 1349644357 /nfs/dbraw/zinc/64/43/57/1349644357.db2.gz MHMSTTYOSBEMGS-CYBMUJFWSA-N -1 1 344.419 2.325 20 0 EEADMM Clc1ccc(N2CCC[C@@H](OC3CCC3)C2)nc1-c1nnn[n-]1 ZINC001592532946 1349650074 /nfs/dbraw/zinc/65/00/74/1349650074.db2.gz XPXQIFMVYXFMGG-LLVKDONJSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCC[C@@H](OC3CCC3)C2)nc1-c1nn[n-]n1 ZINC001592532946 1349650075 /nfs/dbraw/zinc/65/00/75/1349650075.db2.gz XPXQIFMVYXFMGG-LLVKDONJSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1sc(N2CCC([C@@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001592541534 1349654257 /nfs/dbraw/zinc/65/42/57/1349654257.db2.gz CCIMRLIMONWXMA-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C3CCC3)CC2)n1 ZINC001592559412 1349657579 /nfs/dbraw/zinc/65/75/79/1349657579.db2.gz ODIRAWJYSOKLMR-GFCCVEGCSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C3CCC3)CC2)n1 ZINC001592559412 1349657580 /nfs/dbraw/zinc/65/75/80/1349657580.db2.gz ODIRAWJYSOKLMR-GFCCVEGCSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2CC2CCCC2)n1 ZINC001592559600 1349657682 /nfs/dbraw/zinc/65/76/82/1349657682.db2.gz ZRZAONCAGDFIHI-LBPRGKRZSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2CC2CCCC2)n1 ZINC001592559600 1349657687 /nfs/dbraw/zinc/65/76/87/1349657687.db2.gz ZRZAONCAGDFIHI-LBPRGKRZSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cnc(-c2ccc(NCc3csc(-c4nn[n-]n4)c3)cc2)n1 ZINC001592585376 1349663340 /nfs/dbraw/zinc/66/33/40/1349663340.db2.gz FXEZPUDMNIBDRU-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM FC(F)(F)COCc1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001592614659 1349672109 /nfs/dbraw/zinc/67/21/09/1349672109.db2.gz FXTDSKFXQRHKTH-UHFFFAOYSA-N -1 1 332.267 2.057 20 0 EEADMM FC(F)(F)COCc1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001592614659 1349672117 /nfs/dbraw/zinc/67/21/17/1349672117.db2.gz FXTDSKFXQRHKTH-UHFFFAOYSA-N -1 1 332.267 2.057 20 0 EEADMM FC(F)(F)c1cc(NCC2=CCCOC2)nc(-c2nnn[n-]2)c1 ZINC001592618317 1349674213 /nfs/dbraw/zinc/67/42/13/1349674213.db2.gz OGDFXJYDIYIWGU-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM FC(F)(F)c1cc(NCC2=CCCOC2)nc(-c2nn[n-]n2)c1 ZINC001592618317 1349674214 /nfs/dbraw/zinc/67/42/14/1349674214.db2.gz OGDFXJYDIYIWGU-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM Fc1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001592655469 1349699570 /nfs/dbraw/zinc/69/95/70/1349699570.db2.gz UHZYLIZWFCSZSA-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM Fc1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001592655469 1349699576 /nfs/dbraw/zinc/69/95/76/1349699576.db2.gz UHZYLIZWFCSZSA-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM Fc1cccc(Sc2ccc3nccnc3n2)c1-c1nn[n-]n1 ZINC001592658391 1349702229 /nfs/dbraw/zinc/70/22/29/1349702229.db2.gz LOTVRBQTAPRESR-UHFFFAOYSA-N -1 1 325.332 2.495 20 0 EEADMM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001593185619 1349744995 /nfs/dbraw/zinc/74/49/95/1349744995.db2.gz NAGISTFJSUCFHH-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001593185619 1349744997 /nfs/dbraw/zinc/74/49/97/1349744997.db2.gz NAGISTFJSUCFHH-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C([O-])CC1(C[NH2+]Cc2csc(-c3nn[n-]n3)c2)CCCCC1 ZINC001593277408 1349759903 /nfs/dbraw/zinc/75/99/03/1349759903.db2.gz YOKYDBRQOKFRBH-UHFFFAOYSA-N -1 1 335.433 2.443 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc(-c2cnco2)cc1 ZINC001593302100 1349773679 /nfs/dbraw/zinc/77/36/79/1349773679.db2.gz VAZNSKDHWZOKBQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc(-c2cnco2)cc1 ZINC001593302100 1349773688 /nfs/dbraw/zinc/77/36/88/1349773688.db2.gz VAZNSKDHWZOKBQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001593337996 1349783185 /nfs/dbraw/zinc/78/31/85/1349783185.db2.gz DILODCAVUPLDIN-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001593337996 1349783190 /nfs/dbraw/zinc/78/31/90/1349783190.db2.gz DILODCAVUPLDIN-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CC1 ZINC001593358469 1349789914 /nfs/dbraw/zinc/78/99/14/1349789914.db2.gz IQHHEOXBHIRTOH-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CC1 ZINC001593358469 1349789920 /nfs/dbraw/zinc/78/99/20/1349789920.db2.gz IQHHEOXBHIRTOH-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1ccccc1F)CCCC2 ZINC001593491983 1349816988 /nfs/dbraw/zinc/81/69/88/1349816988.db2.gz GBNFCMUEBKIBHK-UHFFFAOYSA-N -1 1 339.374 2.289 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1CCC3(CCC3)O1)CCCC2 ZINC001593491878 1349817687 /nfs/dbraw/zinc/81/76/87/1349817687.db2.gz AMJJWIKFVBELMC-ZDUSSCGKSA-N -1 1 341.415 2.009 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593518928 1349829943 /nfs/dbraw/zinc/82/99/43/1349829943.db2.gz GTWDRMNOFKCYCN-ZMLRMANQSA-N -1 1 334.811 2.045 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593518928 1349829946 /nfs/dbraw/zinc/82/99/46/1349829946.db2.gz GTWDRMNOFKCYCN-ZMLRMANQSA-N -1 1 334.811 2.045 20 0 EEADMM c1c(NC[C@H]2CCCC3(CCC3)O2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543181 1349838814 /nfs/dbraw/zinc/83/88/14/1349838814.db2.gz FFXSBXHOIOOFNI-GFCCVEGCSA-N -1 1 341.419 2.438 20 0 EEADMM c1c(NC[C@H]2CCCC3(CCC3)O2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543181 1349838818 /nfs/dbraw/zinc/83/88/18/1349838818.db2.gz FFXSBXHOIOOFNI-GFCCVEGCSA-N -1 1 341.419 2.438 20 0 EEADMM c1nc(NCc2nc(-c3nnn[n-]3)cs2)sc1C1CCOCC1 ZINC001593595397 1349869940 /nfs/dbraw/zinc/86/99/40/1349869940.db2.gz OVBFSVCTHIBUOK-UHFFFAOYSA-N -1 1 349.445 2.286 20 0 EEADMM c1nc(NCc2nc(-c3nn[n-]n3)cs2)sc1C1CCOCC1 ZINC001593595397 1349869946 /nfs/dbraw/zinc/86/99/46/1349869946.db2.gz OVBFSVCTHIBUOK-UHFFFAOYSA-N -1 1 349.445 2.286 20 0 EEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[C@@H]1C ZINC001594346190 1349875690 /nfs/dbraw/zinc/87/56/90/1349875690.db2.gz LTKUXRZOVDLSHX-QKPAOTATSA-N -1 1 339.480 2.249 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3ccncc3)CC2)oc1C(=O)[O-] ZINC001600090580 1349969510 /nfs/dbraw/zinc/96/95/10/1349969510.db2.gz LIGUUKDQSKETLP-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)n[nH]1 ZINC001600189154 1349988508 /nfs/dbraw/zinc/98/85/08/1349988508.db2.gz LJDJUEOGHSEQFK-MRVPVSSYSA-N -1 1 342.359 2.045 20 0 EEADMM Cc1cc(CN[C@@H](COC(N)=O)Cc2ccccc2)oc1C(=O)[O-] ZINC001600207236 1349992863 /nfs/dbraw/zinc/99/28/63/1349992863.db2.gz QZYIFLPGFQEWRW-CYBMUJFWSA-N -1 1 332.356 2.496 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001600240991 1350000296 /nfs/dbraw/zinc/00/02/96/1350000296.db2.gz HSRZQQNYBCXXEU-UHFFFAOYSA-N -1 1 342.399 2.025 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2nc(CO)[nH]c21 ZINC001600360611 1350030075 /nfs/dbraw/zinc/03/00/75/1350030075.db2.gz PWQQQXOLICYAMA-UHFFFAOYSA-N -1 1 325.324 2.314 20 0 EEADMM Cc1cccc(OC[C@@H](O)CNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001600545055 1350078969 /nfs/dbraw/zinc/07/89/69/1350078969.db2.gz SNRJVZHXARESTB-HNNXBMFYSA-N -1 1 333.359 2.362 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cn3)cc2s1 ZINC001600727645 1350122070 /nfs/dbraw/zinc/12/20/70/1350122070.db2.gz DSKCYTZOAVSLBF-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1noc2ncc(CN3CC[C@](C(=O)[O-])(C(F)(F)F)C3)cc12 ZINC001600815866 1350143174 /nfs/dbraw/zinc/14/31/74/1350143174.db2.gz FSFGNBNLVNWGGS-ZDUSSCGKSA-N -1 1 329.278 2.370 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N(C)C)c1C ZINC001600837297 1350148134 /nfs/dbraw/zinc/14/81/34/1350148134.db2.gz SQQUDDOPPOQFIA-UHFFFAOYSA-N -1 1 338.385 2.461 20 0 EEADMM Cn1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C1CC1 ZINC001601022242 1350192293 /nfs/dbraw/zinc/19/22/93/1350192293.db2.gz UVIJPJZRQHUNOR-UHFFFAOYSA-N -1 1 325.328 2.124 20 0 EEADMM NC(=O)CCN(Cc1ccc(C(=O)[O-])o1)[C@@H]1CCOc2ccccc21 ZINC001601149413 1350220756 /nfs/dbraw/zinc/22/07/56/1350220756.db2.gz QHPFCEYBYZMAMJ-CQSZACIVSA-N -1 1 344.367 2.179 20 0 EEADMM O=C([O-])c1cnc(Cl)c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC001601583702 1350313039 /nfs/dbraw/zinc/31/30/39/1350313039.db2.gz BMXDKNISHDQVPR-SECBINFHSA-N -1 1 335.751 2.355 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001601770090 1350360321 /nfs/dbraw/zinc/36/03/21/1350360321.db2.gz TWRAGWACFVZZJX-ZFWWWQNUSA-N -1 1 346.358 2.280 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc3c(c1)CCCO3)C[C@H]2C(=O)[O-] ZINC001601780488 1350363607 /nfs/dbraw/zinc/36/36/07/1350363607.db2.gz JKSDIFCAVZEKOQ-HVEKOLDVSA-N -1 1 345.395 2.009 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@@H]1NCc1nc(COc2ccc(F)cc2)no1 ZINC001601807368 1350369178 /nfs/dbraw/zinc/36/91/78/1350369178.db2.gz FIUVJRBNVHAOFY-OLZOCXBDSA-N -1 1 335.335 2.131 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@H]([C@@H]2CCCO2)C1 ZINC001601828336 1350374997 /nfs/dbraw/zinc/37/49/97/1350374997.db2.gz CRSLCKZYVFXQTH-COXVUDFISA-N -1 1 333.432 2.064 20 0 EEADMM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2O)[C@H]2CCCC[C@H]12 ZINC001601830526 1350375690 /nfs/dbraw/zinc/37/56/90/1350375690.db2.gz OGPCNIRLLXYIEP-UPJWGTAASA-N -1 1 339.413 2.046 20 0 EEADMM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(Cl)c(O)c1 ZINC001601865288 1350385048 /nfs/dbraw/zinc/38/50/48/1350385048.db2.gz KPLHNBFAMPLTGS-CQSZACIVSA-N -1 1 347.754 2.403 20 0 EEADMM O=C([O-])C[C@@]1(NCc2ncc(Br)s2)CCCOC1 ZINC001601937543 1350401098 /nfs/dbraw/zinc/40/10/98/1350401098.db2.gz SVHXNAHPEFIAAP-NSHDSACASA-N -1 1 335.223 2.019 20 0 EEADMM O=C([O-])CCCONC(=O)Cc1csc(-c2cccs2)n1 ZINC001601995644 1350413376 /nfs/dbraw/zinc/41/33/76/1350413376.db2.gz SALBJGRBIQMPPI-UHFFFAOYSA-N -1 1 326.399 2.327 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC001602025282 1350421121 /nfs/dbraw/zinc/42/11/21/1350421121.db2.gz FTZHJUACVSIYJG-UHFFFAOYSA-N -1 1 347.415 2.100 20 0 EEADMM O=C([O-])CCc1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001602039110 1350424239 /nfs/dbraw/zinc/42/42/39/1350424239.db2.gz ZBVLSTVROWWIJF-SNVBAGLBSA-N -1 1 330.262 2.081 20 0 EEADMM O=C([O-])CN(Cc1ccccc1)C(=O)c1n[nH]cc1C(F)(F)F ZINC001602059885 1350429753 /nfs/dbraw/zinc/42/97/53/1350429753.db2.gz KUXAHWFECHOUKA-UHFFFAOYSA-N -1 1 327.262 2.156 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1ccc2oc(=O)[nH]c2c1 ZINC001602095456 1350436967 /nfs/dbraw/zinc/43/69/67/1350436967.db2.gz VCHFEKAKVRHWKP-UHFFFAOYSA-N -1 1 328.324 2.287 20 0 EEADMM O=C([O-])c1[nH]c2ccccc2c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001602223415 1350470367 /nfs/dbraw/zinc/47/03/67/1350470367.db2.gz GRKDIVXHLWIVQD-HOTGVXAUSA-N -1 1 330.384 2.246 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1F ZINC001602402373 1350510876 /nfs/dbraw/zinc/51/08/76/1350510876.db2.gz YJCVDYSHKKUASF-UHFFFAOYSA-N -1 1 336.344 2.208 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1c(O)cccc1F)C2 ZINC001602424272 1350516403 /nfs/dbraw/zinc/51/64/03/1350516403.db2.gz VVUFFBLMDDEESC-UHFFFAOYSA-N -1 1 331.299 2.264 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C[C@@H]1CCC[C@@]3(CCOC3)O1)C2 ZINC001602461458 1350524511 /nfs/dbraw/zinc/52/45/11/1350524511.db2.gz DFQKUPHPTCUBFI-KXBFYZLASA-N -1 1 347.411 2.307 20 0 EEADMM O=C([O-])c1ccccc1CCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001602468022 1350526289 /nfs/dbraw/zinc/52/62/89/1350526289.db2.gz MRGYXUMLEPXBMU-OAHLLOKOSA-N -1 1 327.384 2.362 20 0 EEADMM O=C([O-])c1sccc1C(=O)N1CCN[C@H](Cc2ccccc2)C1 ZINC001602594658 1350553478 /nfs/dbraw/zinc/55/34/78/1350553478.db2.gz MDZNUXDLSUOQMW-CYBMUJFWSA-N -1 1 330.409 2.103 20 0 EEADMM O=C([O-])[C@@H](c1cccnc1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001602636258 1350563307 /nfs/dbraw/zinc/56/33/07/1350563307.db2.gz YHQXHDVTWLLMBL-MJGOQNOKSA-N -1 1 338.363 2.317 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001603019467 1350622401 /nfs/dbraw/zinc/62/24/01/1350622401.db2.gz GXUDVCYIDIMMEI-SNVBAGLBSA-N -1 1 342.790 2.335 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001603019467 1350622403 /nfs/dbraw/zinc/62/24/03/1350622403.db2.gz GXUDVCYIDIMMEI-SNVBAGLBSA-N -1 1 342.790 2.335 20 0 EEADMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1csc(-c2nn[n-]n2)c1 ZINC001603075102 1350633962 /nfs/dbraw/zinc/63/39/62/1350633962.db2.gz YZELYECWMHTIJY-GFCCVEGCSA-N -1 1 334.449 2.183 20 0 EEADMM CC(C)[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)c1cccnc1 ZINC001603203698 1350661566 /nfs/dbraw/zinc/66/15/66/1350661566.db2.gz XVPGWCZLBWFHKZ-CQSZACIVSA-N -1 1 327.344 2.338 20 0 EEADMM CC(C)[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001603203698 1350661574 /nfs/dbraw/zinc/66/15/74/1350661574.db2.gz XVPGWCZLBWFHKZ-CQSZACIVSA-N -1 1 327.344 2.338 20 0 EEADMM CC(C)C(C)(C)CS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC001603205685 1350662135 /nfs/dbraw/zinc/66/21/35/1350662135.db2.gz DSHYIVSCAOYWHU-UHFFFAOYSA-N -1 1 342.396 2.397 20 0 EEADMM CC(C)C(C)(C)CS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC001603205685 1350662136 /nfs/dbraw/zinc/66/21/36/1350662136.db2.gz DSHYIVSCAOYWHU-UHFFFAOYSA-N -1 1 342.396 2.397 20 0 EEADMM CC(C)[C@@H]1C[C@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001603241406 1350669467 /nfs/dbraw/zinc/66/94/67/1350669467.db2.gz RBUSLCLTLGNAGT-RISCZKNCSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)[C@@H]1C[C@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001603241406 1350669472 /nfs/dbraw/zinc/66/94/72/1350669472.db2.gz RBUSLCLTLGNAGT-RISCZKNCSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC001603262420 1350674118 /nfs/dbraw/zinc/67/41/18/1350674118.db2.gz IZHGSQPGVAVCFJ-UHFFFAOYSA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603271652 1350675912 /nfs/dbraw/zinc/67/59/12/1350675912.db2.gz ZKVOWNWHIOWMIG-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603271652 1350675916 /nfs/dbraw/zinc/67/59/16/1350675916.db2.gz ZKVOWNWHIOWMIG-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)c1cc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)on1 ZINC001603393020 1350700057 /nfs/dbraw/zinc/70/00/57/1350700057.db2.gz OUDLVKQWCPVULO-UHFFFAOYSA-N -1 1 347.404 2.039 20 0 EEADMM CC(C)n1cc2ccc(NC(=O)c3ccnc(-c4nnn[n-]4)c3)cc2n1 ZINC001603430880 1350704374 /nfs/dbraw/zinc/70/43/74/1350704374.db2.gz SHGYSAFVLSFRHB-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1cc2ccc(NC(=O)c3ccnc(-c4nn[n-]n4)c3)cc2n1 ZINC001603430880 1350704379 /nfs/dbraw/zinc/70/43/79/1350704379.db2.gz SHGYSAFVLSFRHB-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM C[C@@H](CCO)C1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCC1 ZINC001603494998 1350712418 /nfs/dbraw/zinc/71/24/18/1350712418.db2.gz FVDXISMHMWVNCQ-NSHDSACASA-N -1 1 343.435 2.135 20 0 EEADMM C[C@@H](CCO)C1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCC1 ZINC001603494998 1350712422 /nfs/dbraw/zinc/71/24/22/1350712422.db2.gz FVDXISMHMWVNCQ-NSHDSACASA-N -1 1 343.435 2.135 20 0 EEADMM C[C@@H](CCO)CCNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603495464 1350712459 /nfs/dbraw/zinc/71/24/59/1350712459.db2.gz PDEVUVDXCDQPKJ-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@@H](CCO)CCNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603495464 1350712464 /nfs/dbraw/zinc/71/24/64/1350712464.db2.gz PDEVUVDXCDQPKJ-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC001603565384 1350720535 /nfs/dbraw/zinc/72/05/35/1350720535.db2.gz VPGNGGDNOAJAEY-VIFPVBQESA-N -1 1 338.400 2.482 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC001603565384 1350720541 /nfs/dbraw/zinc/72/05/41/1350720541.db2.gz VPGNGGDNOAJAEY-VIFPVBQESA-N -1 1 338.400 2.482 20 0 EEADMM CC(C)(CCN1CCOC[C@@H]1C[C@@H](O)c1cccs1)C(=O)[O-] ZINC001603599339 1350727263 /nfs/dbraw/zinc/72/72/63/1350727263.db2.gz RBEYBXXBTSNEIA-QWHCGFSZSA-N -1 1 327.446 2.373 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603642042 1350732785 /nfs/dbraw/zinc/73/27/85/1350732785.db2.gz RRTVZTPCWGLFBB-NPZBDFSRSA-N -1 1 326.404 2.206 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603642042 1350732791 /nfs/dbraw/zinc/73/27/91/1350732791.db2.gz RRTVZTPCWGLFBB-NPZBDFSRSA-N -1 1 326.404 2.206 20 0 EEADMM CC1(C)C(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC001603754806 1350758148 /nfs/dbraw/zinc/75/81/48/1350758148.db2.gz GGDUAQQJFALKLH-UHFFFAOYSA-N -1 1 334.401 2.336 20 0 EEADMM CC1(C)C(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC001603754806 1350758152 /nfs/dbraw/zinc/75/81/52/1350758152.db2.gz GGDUAQQJFALKLH-UHFFFAOYSA-N -1 1 334.401 2.336 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)CC(C)(C)O1 ZINC001603789969 1350768419 /nfs/dbraw/zinc/76/84/19/1350768419.db2.gz WAHRDAMPXJIWRB-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)CC(C)(C)O1 ZINC001603789969 1350768424 /nfs/dbraw/zinc/76/84/24/1350768424.db2.gz WAHRDAMPXJIWRB-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM C[C@@]1(CCCO)CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603800186 1350770579 /nfs/dbraw/zinc/77/05/79/1350770579.db2.gz IIIDKNPVZFGQAA-LBPRGKRZSA-N -1 1 328.829 2.108 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001603854298 1350783841 /nfs/dbraw/zinc/78/38/41/1350783841.db2.gz QDFZRVQMMLQZCU-VHSXEESVSA-N -1 1 342.428 2.362 20 0 EEADMM C[C@H]1C[C@@H](c2cccnc2)N(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001603867738 1350787013 /nfs/dbraw/zinc/78/70/13/1350787013.db2.gz KISOROSXECDQSB-GWCFXTLKSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@H]1C[C@@H](c2cccnc2)N(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001603867738 1350787017 /nfs/dbraw/zinc/78/70/17/1350787017.db2.gz KISOROSXECDQSB-GWCFXTLKSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@H]1CC2(CN1C(=O)c1cccc(F)c1-c1nnn[n-]1)CCOCC2 ZINC001603871186 1350788542 /nfs/dbraw/zinc/78/85/42/1350788542.db2.gz KABYRUKVVBJELW-NSHDSACASA-N -1 1 345.378 2.037 20 0 EEADMM C[C@H]1CC2(CN1C(=O)c1cccc(F)c1-c1nn[n-]n1)CCOCC2 ZINC001603871186 1350788545 /nfs/dbraw/zinc/78/85/45/1350788545.db2.gz KABYRUKVVBJELW-NSHDSACASA-N -1 1 345.378 2.037 20 0 EEADMM CC(C)N1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001603895544 1350796579 /nfs/dbraw/zinc/79/65/79/1350796579.db2.gz SIHWVTWRJUQGFH-UHFFFAOYSA-N -1 1 342.399 2.491 20 0 EEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC001603966200 1350816556 /nfs/dbraw/zinc/81/65/56/1350816556.db2.gz WJGHVJNCBFRNMB-XFXZXTDPSA-N -1 1 337.387 2.341 20 0 EEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC001603966200 1350816558 /nfs/dbraw/zinc/81/65/58/1350816558.db2.gz WJGHVJNCBFRNMB-XFXZXTDPSA-N -1 1 337.387 2.341 20 0 EEADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(OC)c1OC ZINC001604065841 1350845095 /nfs/dbraw/zinc/84/50/95/1350845095.db2.gz ZAAFHNLQRZNTHJ-ZDUSSCGKSA-N -1 1 340.387 2.264 20 0 EEADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(OC)c1OC ZINC001604065841 1350845098 /nfs/dbraw/zinc/84/50/98/1350845098.db2.gz ZAAFHNLQRZNTHJ-ZDUSSCGKSA-N -1 1 340.387 2.264 20 0 EEADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccc(OC)c1OC ZINC001604065338 1350845345 /nfs/dbraw/zinc/84/53/45/1350845345.db2.gz VLQQWGXNOPTSSD-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccc(OC)c1OC ZINC001604065338 1350845348 /nfs/dbraw/zinc/84/53/48/1350845348.db2.gz VLQQWGXNOPTSSD-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604074210 1350847635 /nfs/dbraw/zinc/84/76/35/1350847635.db2.gz JBXSTAPUAXZSFU-ZDUSSCGKSA-N -1 1 326.360 2.468 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604074210 1350847639 /nfs/dbraw/zinc/84/76/39/1350847639.db2.gz JBXSTAPUAXZSFU-ZDUSSCGKSA-N -1 1 326.360 2.468 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604086062 1350851847 /nfs/dbraw/zinc/85/18/47/1350851847.db2.gz OAVNOJBIDMFZNP-CHWSQXEVSA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604086062 1350851848 /nfs/dbraw/zinc/85/18/48/1350851848.db2.gz OAVNOJBIDMFZNP-CHWSQXEVSA-N -1 1 333.392 2.125 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)NCCC1CCCCC1)c1cccnc1 ZINC001604088313 1350852242 /nfs/dbraw/zinc/85/22/42/1350852242.db2.gz NVTGTDOQIGXBAS-LJQANCHMSA-N -1 1 347.459 2.448 20 0 EEADMM CCCCO[C@@H]1C[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001604188125 1350889343 /nfs/dbraw/zinc/88/93/43/1350889343.db2.gz XGYHHQFYEVUAPU-NWDGAFQWSA-N -1 1 331.424 2.077 20 0 EEADMM C[C@@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)NCc1cccs1 ZINC001604324197 1350915420 /nfs/dbraw/zinc/91/54/20/1350915420.db2.gz IEXQXXRTZPBSIO-IUODEOHRSA-N -1 1 332.425 2.038 20 0 EEADMM C[C@H](NCC1(C(=O)N(C)C)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001604338116 1350918848 /nfs/dbraw/zinc/91/88/48/1350918848.db2.gz QJTIDGQTSXVMSR-JTQLQIEISA-N -1 1 325.434 2.141 20 0 EEADMM CCO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)C1 ZINC001604412217 1350933098 /nfs/dbraw/zinc/93/30/98/1350933098.db2.gz MVKUSWCZVVQZDM-SECBINFHSA-N -1 1 342.325 2.286 20 0 EEADMM CCO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)C1 ZINC001604412217 1350933100 /nfs/dbraw/zinc/93/31/00/1350933100.db2.gz MVKUSWCZVVQZDM-SECBINFHSA-N -1 1 342.325 2.286 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001604478692 1350946676 /nfs/dbraw/zinc/94/66/76/1350946676.db2.gz MRHPCOUJWUNHHK-WDEREUQCSA-N -1 1 347.448 2.400 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001604478692 1350946680 /nfs/dbraw/zinc/94/66/80/1350946680.db2.gz MRHPCOUJWUNHHK-WDEREUQCSA-N -1 1 347.448 2.400 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)Cc2ccsc2)n1 ZINC001604543717 1350958225 /nfs/dbraw/zinc/95/82/25/1350958225.db2.gz ZPXXDORAEGZYCI-JTQLQIEISA-N -1 1 329.433 2.348 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](C)Cc2ccsc2)n1 ZINC001604543717 1350958228 /nfs/dbraw/zinc/95/82/28/1350958228.db2.gz ZPXXDORAEGZYCI-JTQLQIEISA-N -1 1 329.433 2.348 20 0 EEADMM CCc1nc(NCC2(C)Cc3ccccc3C2)cc(-c2nnn[n-]2)n1 ZINC001604563069 1350961342 /nfs/dbraw/zinc/96/13/42/1350961342.db2.gz GIIUVJWFBQVZSD-UHFFFAOYSA-N -1 1 335.415 2.436 20 0 EEADMM CCc1nc(NCC2(C)Cc3ccccc3C2)cc(-c2nn[n-]n2)n1 ZINC001604563069 1350961344 /nfs/dbraw/zinc/96/13/44/1350961344.db2.gz GIIUVJWFBQVZSD-UHFFFAOYSA-N -1 1 335.415 2.436 20 0 EEADMM C[C@@H](NCCC(=O)N1CCC[C@H](C)C1)c1ncc(C(=O)[O-])s1 ZINC001604734103 1350993881 /nfs/dbraw/zinc/99/38/81/1350993881.db2.gz LZDKGHAKUBFFFZ-WDEREUQCSA-N -1 1 325.434 2.141 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001604767676 1350999277 /nfs/dbraw/zinc/99/92/77/1350999277.db2.gz VQJHHAWWYZTDMA-UVBSCNOISA-N -1 1 341.411 2.278 20 0 EEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001604780048 1351001636 /nfs/dbraw/zinc/00/16/36/1351001636.db2.gz YYTJRSBLHXCWOF-WYUUTHIRSA-N -1 1 348.390 2.282 20 0 EEADMM COC(=O)c1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(C)s1 ZINC001604967443 1351041474 /nfs/dbraw/zinc/04/14/74/1351041474.db2.gz GGRUNPJGPWWMMP-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001604975296 1351042930 /nfs/dbraw/zinc/04/29/30/1351042930.db2.gz RJINKXPMWFFPAA-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001604975296 1351042933 /nfs/dbraw/zinc/04/29/33/1351042933.db2.gz RJINKXPMWFFPAA-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N2CCC[C@H](C(C)C)CC2)c(-c2nnn[n-]2)n1 ZINC001604972879 1351042979 /nfs/dbraw/zinc/04/29/79/1351042979.db2.gz GHKFSILNKJYQGH-LBPRGKRZSA-N -1 1 344.419 2.311 20 0 EEADMM COC(=O)c1ccc(N2CCC[C@H](C(C)C)CC2)c(-c2nn[n-]n2)n1 ZINC001604972879 1351042982 /nfs/dbraw/zinc/04/29/82/1351042982.db2.gz GHKFSILNKJYQGH-LBPRGKRZSA-N -1 1 344.419 2.311 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001604974919 1351043004 /nfs/dbraw/zinc/04/30/04/1351043004.db2.gz OMEACUKBBOSQBD-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001604974919 1351043005 /nfs/dbraw/zinc/04/30/05/1351043005.db2.gz OMEACUKBBOSQBD-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001604975293 1351043055 /nfs/dbraw/zinc/04/30/55/1351043055.db2.gz RJINKXPMWFFPAA-GARJFASQSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001604975293 1351043057 /nfs/dbraw/zinc/04/30/57/1351043057.db2.gz RJINKXPMWFFPAA-GARJFASQSA-N -1 1 330.392 2.285 20 0 EEADMM CO[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001605008105 1351051687 /nfs/dbraw/zinc/05/16/87/1351051687.db2.gz FTUVCUIFSNSMJF-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001605008105 1351051692 /nfs/dbraw/zinc/05/16/92/1351051692.db2.gz FTUVCUIFSNSMJF-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COCC[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC001605079915 1351073436 /nfs/dbraw/zinc/07/34/36/1351073436.db2.gz SBCCZJLPHMEHIZ-LBPRGKRZSA-N -1 1 345.334 2.106 20 0 EEADMM COCC[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC001605079915 1351073442 /nfs/dbraw/zinc/07/34/42/1351073442.db2.gz SBCCZJLPHMEHIZ-LBPRGKRZSA-N -1 1 345.334 2.106 20 0 EEADMM CCC[C@H](O)CN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001605221742 1351108019 /nfs/dbraw/zinc/10/80/19/1351108019.db2.gz UZBJNNPVDYDOTC-HOTGVXAUSA-N -1 1 340.851 2.244 20 0 EEADMM COc1ccccc1CCN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605332629 1351138322 /nfs/dbraw/zinc/13/83/22/1351138322.db2.gz HWMRDFCFBAUZCV-UHFFFAOYSA-N -1 1 343.412 2.252 20 0 EEADMM COc1ncc(NC(=O)NCC2CCC=CCC2)cc1-c1nn[n-]n1 ZINC001605346508 1351142171 /nfs/dbraw/zinc/14/21/71/1351142171.db2.gz DSUPSJXBUHDWAX-UHFFFAOYSA-N -1 1 343.391 2.138 20 0 EEADMM CCN(C(C)=O)c1nc(-c2nc3ncc(C(=O)[O-])cc3[nH]2)cs1 ZINC001605404708 1351154571 /nfs/dbraw/zinc/15/45/71/1351154571.db2.gz BUXVICRMWKXRFY-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM CCc1[nH]c(CN2CCC(CN3CCCCC3=O)CC2)cc1C(=O)[O-] ZINC001605772293 1351222111 /nfs/dbraw/zinc/22/21/11/1351222111.db2.gz QCXCQLPJSZEBGZ-UHFFFAOYSA-N -1 1 347.459 2.500 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001605795127 1351224244 /nfs/dbraw/zinc/22/42/44/1351224244.db2.gz XBAHEQSGLXCKQL-RNCFNFMXSA-N -1 1 337.387 2.203 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001605845685 1351234707 /nfs/dbraw/zinc/23/47/07/1351234707.db2.gz QBIOWCUCTCIPKI-VHSXEESVSA-N -1 1 331.376 2.438 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605862407 1351240102 /nfs/dbraw/zinc/24/01/02/1351240102.db2.gz IGWQBBPEQHPYGP-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001605862407 1351240106 /nfs/dbraw/zinc/24/01/06/1351240106.db2.gz IGWQBBPEQHPYGP-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CCC(N2CCCOC2=O)CC1 ZINC001605879802 1351244732 /nfs/dbraw/zinc/24/47/32/1351244732.db2.gz SATDOYTXNQLOLV-UHFFFAOYSA-N -1 1 336.388 2.347 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605888542 1351247298 /nfs/dbraw/zinc/24/72/98/1351247298.db2.gz RJIKOXWWAFWPAL-INIZCTEOSA-N -1 1 348.410 2.306 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605888542 1351247301 /nfs/dbraw/zinc/24/73/01/1351247301.db2.gz RJIKOXWWAFWPAL-INIZCTEOSA-N -1 1 348.410 2.306 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1cccs1 ZINC001606012398 1351263830 /nfs/dbraw/zinc/26/38/30/1351263830.db2.gz WMMXJUXKBWXLLL-NSHDSACASA-N -1 1 334.401 2.266 20 0 EEADMM CN(C)Cc1ccsc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001606036638 1351265514 /nfs/dbraw/zinc/26/55/14/1351265514.db2.gz RRLKUUYSTIKNGC-UHFFFAOYSA-N -1 1 332.425 2.367 20 0 EEADMM CN(CC1(CO)CC1)[C@H](C(=O)[O-])c1ccccc1Br ZINC001606107501 1351272253 /nfs/dbraw/zinc/27/22/53/1351272253.db2.gz FNTUCGJJEVDDQM-LBPRGKRZSA-N -1 1 328.206 2.279 20 0 EEADMM Cc1nsc(NC2CCN(CC(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC001606155819 1351279243 /nfs/dbraw/zinc/27/92/43/1351279243.db2.gz HVMYBPRGUAFPFI-UHFFFAOYSA-N -1 1 347.370 2.070 20 0 EEADMM Cc1oc(-c2ccsc2)nc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001606164956 1351279764 /nfs/dbraw/zinc/27/97/64/1351279764.db2.gz JQTKTMYXWYXRFP-UHFFFAOYSA-N -1 1 341.356 2.261 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001606168140 1351280591 /nfs/dbraw/zinc/28/05/91/1351280591.db2.gz BKXAGMCFLOTBLH-UHFFFAOYSA-N -1 1 349.354 2.088 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(-c2c[nH]cn2)cc1 ZINC001606168140 1351280595 /nfs/dbraw/zinc/28/05/95/1351280595.db2.gz BKXAGMCFLOTBLH-UHFFFAOYSA-N -1 1 349.354 2.088 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC001606169148 1351281003 /nfs/dbraw/zinc/28/10/03/1351281003.db2.gz PCBNPVNAHLSSRI-UHFFFAOYSA-N -1 1 329.364 2.051 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(C)(C)C)nn1C ZINC001606169148 1351281007 /nfs/dbraw/zinc/28/10/07/1351281007.db2.gz PCBNPVNAHLSSRI-UHFFFAOYSA-N -1 1 329.364 2.051 20 0 EEADMM Clc1cc(CSCCNc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001606188830 1351283734 /nfs/dbraw/zinc/28/37/34/1351283734.db2.gz BNDLDTORHANORQ-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1cc(CSCCNc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001606188830 1351283738 /nfs/dbraw/zinc/28/37/38/1351283738.db2.gz BNDLDTORHANORQ-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606492332 1351311461 /nfs/dbraw/zinc/31/14/61/1351311461.db2.gz BKOBQIMUXDHRND-QMTHXVAHSA-N -1 1 334.330 2.416 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606492332 1351311464 /nfs/dbraw/zinc/31/14/64/1351311464.db2.gz BKOBQIMUXDHRND-QMTHXVAHSA-N -1 1 334.330 2.416 20 0 EEADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)Nc1ccc(F)cc1 ZINC001606582119 1351325875 /nfs/dbraw/zinc/32/58/75/1351325875.db2.gz UUIYHQKXXJSCEU-UHFFFAOYSA-N -1 1 333.348 2.471 20 0 EEADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)Nc1ccc(F)cc1 ZINC001606582119 1351325877 /nfs/dbraw/zinc/32/58/77/1351325877.db2.gz UUIYHQKXXJSCEU-UHFFFAOYSA-N -1 1 333.348 2.471 20 0 EEADMM COC(=O)c1oc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC001606636381 1351335365 /nfs/dbraw/zinc/33/53/65/1351335365.db2.gz KCNFVSUCVPJKDW-OAHLLOKOSA-N -1 1 329.352 2.386 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(-c2nnn[n-]2)o1 ZINC001606684966 1351342350 /nfs/dbraw/zinc/34/23/50/1351342350.db2.gz HFMUCSXQRAUGLL-MRVPVSSYSA-N -1 1 349.272 2.294 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(-c2nn[n-]n2)o1 ZINC001606684966 1351342352 /nfs/dbraw/zinc/34/23/52/1351342352.db2.gz HFMUCSXQRAUGLL-MRVPVSSYSA-N -1 1 349.272 2.294 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606692995 1351343163 /nfs/dbraw/zinc/34/31/63/1351343163.db2.gz JGPJRQJMTDJZSH-LLVKDONJSA-N -1 1 345.815 2.479 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606692995 1351343166 /nfs/dbraw/zinc/34/31/66/1351343166.db2.gz JGPJRQJMTDJZSH-LLVKDONJSA-N -1 1 345.815 2.479 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606726453 1351348232 /nfs/dbraw/zinc/34/82/32/1351348232.db2.gz DRDSRPRDXGJACT-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606726453 1351348235 /nfs/dbraw/zinc/34/82/35/1351348235.db2.gz DRDSRPRDXGJACT-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606745342 1351350948 /nfs/dbraw/zinc/35/09/48/1351350948.db2.gz RRDATEWMKBOWAE-SNVBAGLBSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606745342 1351350951 /nfs/dbraw/zinc/35/09/51/1351350951.db2.gz RRDATEWMKBOWAE-SNVBAGLBSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCCCc1cccc(Cl)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606776427 1351355576 /nfs/dbraw/zinc/35/55/76/1351355576.db2.gz LMYZMAQEQQBKHA-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(NCCCc1cccc(Cl)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606776427 1351355579 /nfs/dbraw/zinc/35/55/79/1351355579.db2.gz LMYZMAQEQQBKHA-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606892896 1351370785 /nfs/dbraw/zinc/37/07/85/1351370785.db2.gz ZNYJFVPKDSJPER-OLZOCXBDSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606892896 1351370789 /nfs/dbraw/zinc/37/07/89/1351370789.db2.gz ZNYJFVPKDSJPER-OLZOCXBDSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCc2ccccc21 ZINC001607015593 1351397338 /nfs/dbraw/zinc/39/73/38/1351397338.db2.gz RRSXOCCDDSPFFG-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2ccccc2F)C1 ZINC001607021902 1351399571 /nfs/dbraw/zinc/39/95/71/1351399571.db2.gz HHBAUETVAUWQKK-NSHDSACASA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2ccccc2F)C1 ZINC001607021902 1351399578 /nfs/dbraw/zinc/39/95/78/1351399578.db2.gz HHBAUETVAUWQKK-NSHDSACASA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1COc1ccccc1 ZINC001607032772 1351401405 /nfs/dbraw/zinc/40/14/05/1351401405.db2.gz JLKKDFJJLDSRNT-ZDUSSCGKSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1COc1ccccc1 ZINC001607032772 1351401410 /nfs/dbraw/zinc/40/14/10/1351401410.db2.gz JLKKDFJJLDSRNT-ZDUSSCGKSA-N -1 1 339.355 2.143 20 0 EEADMM c1ccc(Oc2cccc(CNc3ccnc(-c4nn[n-]n4)n3)c2)cc1 ZINC001607131260 1351432970 /nfs/dbraw/zinc/43/29/70/1351432970.db2.gz ZGQDXLOHOAPAIR-UHFFFAOYSA-N -1 1 345.366 2.483 20 0 EEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CC[C@H](C)O)c1 ZINC001607200123 1351448113 /nfs/dbraw/zinc/44/81/13/1351448113.db2.gz KVQMKJBLPHQDDY-ZANVPECISA-N -1 1 346.221 2.286 20 0 EEADMM COc1ccc(C(=O)Nc2cccc(CN[C@H](CF)C(=O)[O-])c2)cc1 ZINC001607208171 1351449401 /nfs/dbraw/zinc/44/94/01/1351449401.db2.gz PNVZFTFSEPUWOY-MRXNPFEDSA-N -1 1 346.358 2.460 20 0 EEADMM COc1cccc2c1CC[C@@]2(CO)NCc1ccsc1C(=O)[O-] ZINC001607333348 1351476412 /nfs/dbraw/zinc/47/64/12/1351476412.db2.gz CFJQGNWJNZBTIR-KRWDZBQOSA-N -1 1 333.409 2.379 20 0 EEADMM COc1cccc2c1n[nH]c2C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001607333764 1351476456 /nfs/dbraw/zinc/47/64/56/1351476456.db2.gz OFPMASAJHXBSTR-UHFFFAOYSA-N -1 1 327.296 2.022 20 0 EEADMM C[C@@H]1CC[C@@H](O)CN1Cc1cc(C(=O)[O-])ccc1Br ZINC001607426536 1351492854 /nfs/dbraw/zinc/49/28/54/1351492854.db2.gz PNGNVAHWFSPVJL-BXKDBHETSA-N -1 1 328.206 2.493 20 0 EEADMM Cc1cc(C)cc([C@H](NCc2cc(=O)n3ccccc3n2)C(=O)[O-])c1 ZINC001607625945 1351528117 /nfs/dbraw/zinc/52/81/17/1351528117.db2.gz PZHKVRISPFYZCS-SFHVURJKSA-N -1 1 337.379 2.227 20 0 EEADMM 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CCC[C@H](C)CCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590550772 1403886993 /nfs/dbraw/zinc/88/69/93/1403886993.db2.gz ZKYOCNRECUKLHB-NSHDSACASA-N -1 1 333.392 2.031 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591335628 1403905927 /nfs/dbraw/zinc/90/59/27/1403905927.db2.gz JBXRSTISMYDBFD-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591335628 1403905931 /nfs/dbraw/zinc/90/59/31/1403905931.db2.gz JBXRSTISMYDBFD-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM COc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)ccc1C ZINC001591517157 1403923098 /nfs/dbraw/zinc/92/30/98/1403923098.db2.gz IKLFKJGMAKZNPT-UHFFFAOYSA-N -1 1 339.359 2.037 20 0 EEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001592140578 1404005030 /nfs/dbraw/zinc/00/50/30/1404005030.db2.gz JTRQRKPCHCJMFF-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1noc(C)c1C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592458069 1404696070 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EEADMM Cc1nnc(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)o1 ZINC001771846652 1409963792 /nfs/dbraw/zinc/96/37/92/1409963792.db2.gz QLSZZCAIBOCICY-UHFFFAOYSA-N -1 1 343.383 2.138 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001144873491 790269721 /nfs/dbraw/zinc/26/97/21/790269721.db2.gz SNWSODQFRDVTEM-UHFFFAOYSA-N -1 1 341.371 2.194 20 0 EEADMM O=C(NCC1CN(Cc2ccc(Cl)c(F)c2)C1)c1ncccc1[O-] ZINC001031627203 770437626 /nfs/dbraw/zinc/43/76/26/770437626.db2.gz GKCLNGKYHWHRDH-UHFFFAOYSA-N -1 1 349.793 2.442 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@]1(C)c1ccccc1 ZINC000920967703 770913918 /nfs/dbraw/zinc/91/39/18/770913918.db2.gz VBYJVZORPLQSFD-QGZVFWFLSA-N -1 1 329.356 2.048 20 0 EEADMM CCc1nc(C)cc(N(CC)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001089637012 773627871 /nfs/dbraw/zinc/62/78/71/773627871.db2.gz JPUCJMJFCAHDRJ-CYBMUJFWSA-N -1 1 343.431 2.093 20 0 EEADMM CC1(C)CC[C@H]1C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980144252 773943466 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O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000672770500 486189885 /nfs/dbraw/zinc/18/98/85/486189885.db2.gz BOCHMGQGRLIRRZ-NVXWUHKLSA-N -1 1 347.378 2.166 20 0 EEADMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)C[C@@H]3CCCO3)c2C)o1 ZINC000676352161 486214349 /nfs/dbraw/zinc/21/43/49/486214349.db2.gz PTQKAVOEJUPDBX-NSHDSACASA-N -1 1 325.390 2.207 20 0 EEADMM O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)C(=O)c1ccc([O-])cc1 ZINC000672872212 486219354 /nfs/dbraw/zinc/21/93/54/486219354.db2.gz YECXXSJOYXDNJP-ZDUSSCGKSA-N -1 1 346.333 2.248 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1[O-] ZINC000676707752 486287131 /nfs/dbraw/zinc/28/71/31/486287131.db2.gz FMLYNWJCRAFZTC-UONOGXRCSA-N -1 1 331.372 2.358 20 0 EEADMM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000682611132 486518143 /nfs/dbraw/zinc/51/81/43/486518143.db2.gz DSRVCKAPKZCVOZ-DVYJOKAKSA-N -1 1 342.317 2.137 20 0 EEADMM CC(C)=CCOc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000183430614 527446715 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EEADMM O=C(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)N1CCCC1 ZINC000738258498 578006387 /nfs/dbraw/zinc/00/63/87/578006387.db2.gz OEZXGCAGGXGZCO-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM O=C(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)N1CCCC1 ZINC000738258498 578006388 /nfs/dbraw/zinc/00/63/88/578006388.db2.gz OEZXGCAGGXGZCO-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738258693 578006394 /nfs/dbraw/zinc/00/63/94/578006394.db2.gz LHHCZMQDZLHRRP-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(F)cc1)C1CC1 ZINC000738258693 578006395 /nfs/dbraw/zinc/00/63/95/578006395.db2.gz LHHCZMQDZLHRRP-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000738327725 578009808 /nfs/dbraw/zinc/00/98/08/578009808.db2.gz NFXLKVRZPJZIJX-HNNXBMFYSA-N -1 1 337.335 2.364 20 0 EEADMM c1cnn(Cc2ccccc2CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738419984 578013899 /nfs/dbraw/zinc/01/38/99/578013899.db2.gz UWSHOSSQQDWHDU-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cnn(Cc2ccccc2CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738419984 578013900 /nfs/dbraw/zinc/01/39/00/578013900.db2.gz UWSHOSSQQDWHDU-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2Nc1ccc2c(c1)OCCO2 ZINC000738438086 578015180 /nfs/dbraw/zinc/01/51/80/578015180.db2.gz WDIMSKQHBSZLAU-UHFFFAOYSA-N -1 1 347.338 2.325 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Nc1ccc2c(c1)OCCO2 ZINC000738438086 578015181 /nfs/dbraw/zinc/01/51/81/578015181.db2.gz WDIMSKQHBSZLAU-UHFFFAOYSA-N -1 1 347.338 2.325 20 0 EEADMM c1ccc2c(c1)CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000738440501 578015285 /nfs/dbraw/zinc/01/52/85/578015285.db2.gz FSLBEKTVIXYQRJ-UHFFFAOYSA-N -1 1 329.367 2.373 20 0 EEADMM c1ccc2c(c1)CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000738440501 578015286 /nfs/dbraw/zinc/01/52/86/578015286.db2.gz FSLBEKTVIXYQRJ-UHFFFAOYSA-N -1 1 329.367 2.373 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(F)c2F)cc1 ZINC000726679961 576288516 /nfs/dbraw/zinc/28/85/16/576288516.db2.gz DDRYRCMNWWVKQI-UHFFFAOYSA-N -1 1 349.289 2.087 20 0 EEADMM CCCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H](C)c1ccccc1 ZINC000727852889 576453906 /nfs/dbraw/zinc/45/39/06/576453906.db2.gz IFLNWOXLEMAYCW-OAHLLOKOSA-N -1 1 343.427 2.317 20 0 EEADMM C[C@H](OC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000737707462 576487551 /nfs/dbraw/zinc/48/75/51/576487551.db2.gz XCNGBEGVMDHGRU-XHDPSFHLSA-N -1 1 345.317 2.457 20 0 EEADMM CCC(=O)N[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728323382 576491208 /nfs/dbraw/zinc/49/12/08/576491208.db2.gz XJYYCQPIZLQBPF-JTQLQIEISA-N -1 1 347.367 2.019 20 0 EEADMM Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCSCC(=O)[O-] ZINC000738669349 577081981 /nfs/dbraw/zinc/08/19/81/577081981.db2.gz FUYLQNTYDQSBEO-HOCLYGCPSA-N -1 1 348.468 2.337 20 0 EEADMM CC(C)N(Cc1cccc(Cl)c1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000733161742 577206549 /nfs/dbraw/zinc/20/65/49/577206549.db2.gz PINLMKXNBITLMO-UHFFFAOYSA-N -1 1 349.818 2.017 20 0 EEADMM Cc1ncc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)s1 ZINC000771955117 577241035 /nfs/dbraw/zinc/24/10/35/577241035.db2.gz IYKHLDXKRUNRID-UHFFFAOYSA-N -1 1 336.360 2.390 20 0 EEADMM COc1cc(C)sc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733840397 577260153 /nfs/dbraw/zinc/26/01/53/577260153.db2.gz DMKRRQFCHWHCKW-UHFFFAOYSA-N -1 1 333.365 2.179 20 0 EEADMM C[C@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(Cl)s1 ZINC000773157438 577319660 /nfs/dbraw/zinc/31/96/60/577319660.db2.gz JIYFWTPQUYKBLN-YUMQZZPRSA-N -1 1 343.865 2.335 20 0 EEADMM O=C([N-]N1CCc2ccccc2C1=O)c1ccc(OC(F)F)cn1 ZINC000773702593 577359850 /nfs/dbraw/zinc/35/98/50/577359850.db2.gz XGMDIPZPKPIZBT-UHFFFAOYSA-N -1 1 333.294 2.026 20 0 EEADMM Cc1c(C(=O)OCCC[N-]C(=O)C(F)(F)F)[nH]c2c1C(=O)CCC2 ZINC000774900527 577422594 /nfs/dbraw/zinc/42/25/94/577422594.db2.gz GDPGGWIVIJSZPF-UHFFFAOYSA-N -1 1 346.305 2.068 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC000775085575 577429207 /nfs/dbraw/zinc/42/92/07/577429207.db2.gz YDYFVRDOZKDYBV-KSSFIOAISA-N -1 1 333.384 2.177 20 0 EEADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775752635 577444731 /nfs/dbraw/zinc/44/47/31/577444731.db2.gz FKYNRMIPYKJMAB-UHFFFAOYSA-N -1 1 347.802 2.458 20 0 EEADMM CC[C@H](CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccccc1 ZINC000776561846 577462389 /nfs/dbraw/zinc/46/23/89/577462389.db2.gz ABJODCAIXGFESI-OCCSQVGLSA-N -1 1 331.445 2.400 20 0 EEADMM Cc1ccc(F)c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1F ZINC000766973012 577528202 /nfs/dbraw/zinc/52/82/02/577528202.db2.gz DNMRTMRCVKLJQZ-UHFFFAOYSA-N -1 1 333.290 2.387 20 0 EEADMM O=C(COC(=O)c1ccnn1C1CCCC1)[N-]C(=O)c1ccccc1 ZINC000767459942 577537428 /nfs/dbraw/zinc/53/74/28/577537428.db2.gz TWDJPLMUGUZAIR-UHFFFAOYSA-N -1 1 341.367 2.112 20 0 EEADMM CCCCn1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(C)n1 ZINC000770492299 577597405 /nfs/dbraw/zinc/59/74/05/577597405.db2.gz HTTUNQGSSHHMOB-UHFFFAOYSA-N -1 1 343.383 2.105 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(Br)n1 ZINC000771130838 577610254 /nfs/dbraw/zinc/61/02/54/577610254.db2.gz MNZSMTOJSUSIMD-UHFFFAOYSA-N -1 1 346.181 2.487 20 0 EEADMM Cc1nonc1C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000760592219 577666465 /nfs/dbraw/zinc/66/64/65/577666465.db2.gz YOTHRVSLOBGJHZ-UHFFFAOYSA-N -1 1 325.321 2.050 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC[C@]2(C)CCC(=O)N2)c1 ZINC000751508417 577754551 /nfs/dbraw/zinc/75/45/51/577754551.db2.gz UKCISBCSIWYKRH-SFHVURJKSA-N -1 1 333.384 2.129 20 0 EEADMM CON(C(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CCCC1 ZINC000757633951 577861540 /nfs/dbraw/zinc/86/15/40/577861540.db2.gz WRJJOGFGGZEEPC-UHFFFAOYSA-N -1 1 325.434 2.478 20 0 EEADMM C[C@](O)(CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(F)(F)F ZINC000744647472 577900986 /nfs/dbraw/zinc/90/09/86/577900986.db2.gz AEOVKEKZGHNOIB-AWEZNQCLSA-N -1 1 346.257 2.245 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cn2c(C)c(C)sc2=O)c1 ZINC000744853622 577904304 /nfs/dbraw/zinc/90/43/04/577904304.db2.gz YSWGRINNCPCIFC-UHFFFAOYSA-N -1 1 349.408 2.221 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000747422063 577944076 /nfs/dbraw/zinc/94/40/76/577944076.db2.gz QNXXUIZXFPGUDI-CYBMUJFWSA-N -1 1 343.431 2.052 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000738957049 578032535 /nfs/dbraw/zinc/03/25/35/578032535.db2.gz GOALLOWCGVSIAE-UHFFFAOYSA-N -1 1 330.388 2.177 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CN1C[C@H](c3cccc(F)c3)CC1=O)CC2 ZINC000739532534 578057035 /nfs/dbraw/zinc/05/70/35/578057035.db2.gz MPPPVVJVUALVSN-GDBMZVCRSA-N -1 1 346.402 2.286 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000740148577 578082923 /nfs/dbraw/zinc/08/29/23/578082923.db2.gz GVVVJGPGZQLQSY-UHFFFAOYSA-N -1 1 346.696 2.312 20 0 EEADMM Brc1ccc(CNc2nccnc2-c2nnn[n-]2)s1 ZINC000735368176 578149753 /nfs/dbraw/zinc/14/97/53/578149753.db2.gz GZZZFXTWOXYDHL-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccc(CNc2nccnc2-c2nn[n-]n2)s1 ZINC000735368176 578149755 /nfs/dbraw/zinc/14/97/55/578149755.db2.gz GZZZFXTWOXYDHL-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735856144 578170236 /nfs/dbraw/zinc/17/02/36/578170236.db2.gz FKBNFQROZUUULW-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735856144 578170237 /nfs/dbraw/zinc/17/02/37/578170237.db2.gz FKBNFQROZUUULW-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736206862 578187348 /nfs/dbraw/zinc/18/73/48/578187348.db2.gz ZGFYHKRVWFCRFO-YOEHRIQHSA-N -1 1 342.439 2.147 20 0 EEADMM C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)[C@H](CO)c1ccccc1 ZINC000736814173 578225204 /nfs/dbraw/zinc/22/52/04/578225204.db2.gz IVEUAYPFKQIOJZ-MRXNPFEDSA-N -1 1 327.363 2.171 20 0 EEADMM C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)[C@H](CO)c1ccccc1 ZINC000736814173 578225205 /nfs/dbraw/zinc/22/52/05/578225205.db2.gz IVEUAYPFKQIOJZ-MRXNPFEDSA-N -1 1 327.363 2.171 20 0 EEADMM CCN(CC)[C@@H](C(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000737086346 578237293 /nfs/dbraw/zinc/23/72/93/578237293.db2.gz WKBWQIPLCAQRBB-JKSUJKDBSA-N -1 1 333.432 2.328 20 0 EEADMM CCN1CCN(c2ccc(C(=O)O[C@@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000737115026 578238907 /nfs/dbraw/zinc/23/89/07/578238907.db2.gz GAHWLABTHRTMQT-MRXNPFEDSA-N -1 1 334.416 2.095 20 0 EEADMM Cc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1OCC(F)F ZINC000737362033 578252741 /nfs/dbraw/zinc/25/27/41/578252741.db2.gz LRNJVHQUZQSLDR-UHFFFAOYSA-N -1 1 333.302 2.353 20 0 EEADMM Cc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1OCC(F)F ZINC000737362033 578252742 /nfs/dbraw/zinc/25/27/42/578252742.db2.gz LRNJVHQUZQSLDR-UHFFFAOYSA-N -1 1 333.302 2.353 20 0 EEADMM Clc1ccc2nc(CNc3cccc(-c4nnn[n-]4)n3)cn2c1 ZINC000737574169 578264841 /nfs/dbraw/zinc/26/48/41/578264841.db2.gz QWYJWMJPWYIUBJ-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1ccc2nc(CNc3cccc(-c4nn[n-]n4)n3)cn2c1 ZINC000737574169 578264842 /nfs/dbraw/zinc/26/48/42/578264842.db2.gz QWYJWMJPWYIUBJ-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM CCN1CCN(c2ccccc2NC(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000818207890 597197143 /nfs/dbraw/zinc/19/71/43/597197143.db2.gz SFVODGBWKMIXPV-MRXNPFEDSA-N -1 1 348.447 2.059 20 0 EEADMM CCCNC(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821118096 607312178 /nfs/dbraw/zinc/31/21/78/607312178.db2.gz GZYGWPIWLZYSDF-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM CCCNC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821118096 607312179 /nfs/dbraw/zinc/31/21/79/607312179.db2.gz GZYGWPIWLZYSDF-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1c([O-])cccc1Cl ZINC000823239181 599491175 /nfs/dbraw/zinc/49/11/75/599491175.db2.gz XOFMTCWTGPTDPP-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1ccc(Cl)cc1[O-] ZINC000823241814 599491521 /nfs/dbraw/zinc/49/15/21/599491521.db2.gz GVVKBCSYEMKIBE-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCCc3ccccc31)CC2 ZINC000405329082 600310972 /nfs/dbraw/zinc/31/09/72/600310972.db2.gz YCIQAMACTDSFQE-HNNXBMFYSA-N -1 1 328.412 2.153 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000829701976 600993423 /nfs/dbraw/zinc/99/34/23/600993423.db2.gz XLPCTLWFQJXPSQ-UHFFFAOYSA-N -1 1 333.432 2.412 20 0 EEADMM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000829170560 601031417 /nfs/dbraw/zinc/03/14/17/601031417.db2.gz VZVACLQVZBXJHE-GUYCJALGSA-N -1 1 336.457 2.427 20 0 EEADMM CC(C)c1ccc(CCNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000827118546 601036729 /nfs/dbraw/zinc/03/67/29/601036729.db2.gz WDOIJQFBKMPFFM-LJQANCHMSA-N -1 1 332.444 2.312 20 0 EEADMM C/C(=C/C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000825716770 601091077 /nfs/dbraw/zinc/09/10/77/601091077.db2.gz OGQAXNBTMFQGQH-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000827354275 601107017 /nfs/dbraw/zinc/10/70/17/601107017.db2.gz CTIREXVGKKPBFY-LLPBQKLSSA-N -1 1 336.819 2.361 20 0 EEADMM Cc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1N(C)C ZINC000832895500 601128019 /nfs/dbraw/zinc/12/80/19/601128019.db2.gz XQJTYKGZJIWSQU-CQSZACIVSA-N -1 1 348.447 2.074 20 0 EEADMM Cc1cc(C)c(CCNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)c(C)c1 ZINC000832876969 601172567 /nfs/dbraw/zinc/17/25/67/601172567.db2.gz GAFFBAIMNJOBGI-LJQANCHMSA-N -1 1 332.444 2.113 20 0 EEADMM C[C@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccnc1 ZINC000827728050 601348834 /nfs/dbraw/zinc/34/88/34/601348834.db2.gz PRINBWOFVIYEOE-GWCFXTLKSA-N -1 1 331.397 2.297 20 0 EEADMM C[C@@H]1CN([C@@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433776 601504766 /nfs/dbraw/zinc/50/47/66/601504766.db2.gz ZZTDAXLZBNSSLU-TYNCELHUSA-N -1 1 336.819 2.488 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C1(C)C ZINC000831526926 601539474 /nfs/dbraw/zinc/53/94/74/601539474.db2.gz QRIQFRCVIZZUIZ-CXAGYDPISA-N -1 1 340.464 2.026 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H]1Cc1ccccc1 ZINC000825977910 601564371 /nfs/dbraw/zinc/56/43/71/601564371.db2.gz RMRQGGQFDPLYKS-WMLDXEAASA-N -1 1 330.428 2.015 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\SCc2ccco2)CC1 ZINC000827354348 601572914 /nfs/dbraw/zinc/57/29/14/601572914.db2.gz FODIVTGTUPELFA-JTMRULEUSA-N -1 1 338.429 2.034 20 0 EEADMM CC(C)(CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000781134287 601704855 /nfs/dbraw/zinc/70/48/55/601704855.db2.gz ZTVQINVPEFTSON-AWEZNQCLSA-N -1 1 336.407 2.265 20 0 EEADMM C[C@H]1CCCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000828265735 601876615 /nfs/dbraw/zinc/87/66/15/601876615.db2.gz HUUMZVTUOZVJGL-ZDUSSCGKSA-N -1 1 345.399 2.233 20 0 EEADMM CN(CCn1ccccc1=O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800774 601899172 /nfs/dbraw/zinc/89/91/72/601899172.db2.gz ZGPNOCCPIVXNFJ-OAHLLOKOSA-N -1 1 340.301 2.023 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC000827995605 602054775 /nfs/dbraw/zinc/05/47/75/602054775.db2.gz CYZLIWNHPABSJY-KSSFIOAISA-N -1 1 349.431 2.313 20 0 EEADMM O=C([O-])c1nn(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc21 ZINC000833346085 602204198 /nfs/dbraw/zinc/20/41/98/602204198.db2.gz FDRVTFXYNUROHK-ACJLOTCBSA-N -1 1 329.400 2.319 20 0 EEADMM CCO[C@@H](C)c1nc(CNC2(CC(=O)[O-])CCOCC2)cs1 ZINC000829901248 602256416 /nfs/dbraw/zinc/25/64/16/602256416.db2.gz KMKKDQKZLKLHDD-NSHDSACASA-N -1 1 328.434 2.354 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCN1CCOC ZINC000829139865 604502539 /nfs/dbraw/zinc/50/25/39/604502539.db2.gz ADLRBQWLHKAVTG-GFCCVEGCSA-N -1 1 341.433 2.021 20 0 EEADMM C[C@@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1C(=O)[O-] ZINC000833629886 604666156 /nfs/dbraw/zinc/66/61/56/604666156.db2.gz NXEIJJRZKWEYOP-PSASIEDQSA-N -1 1 329.299 2.169 20 0 EEADMM O=C([O-])CC1(NCc2c(F)c(F)c(F)c(F)c2F)CCOCC1 ZINC000833206004 604794812 /nfs/dbraw/zinc/79/48/12/604794812.db2.gz KHQFCMBDVJEJFO-UHFFFAOYSA-N -1 1 339.260 2.496 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccccc1F ZINC000826294955 607715285 /nfs/dbraw/zinc/71/52/85/607715285.db2.gz KVCDTMGWIAWOJN-UHFFFAOYSA-N -1 1 336.330 2.072 20 0 EEADMM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833467236 604911905 /nfs/dbraw/zinc/91/19/05/604911905.db2.gz UXKPKSJAQJKUOT-UHFFFAOYSA-N -1 1 348.380 2.419 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000833626905 605100701 /nfs/dbraw/zinc/10/07/01/605100701.db2.gz RYXWXIGVSFXCSV-CQSZACIVSA-N -1 1 346.427 2.096 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCN1CCC(=O)[O-] ZINC000833625765 605259427 /nfs/dbraw/zinc/25/94/27/605259427.db2.gz ZZHACGIGSNZWKZ-LLVKDONJSA-N -1 1 344.333 2.326 20 0 EEADMM CC(C)(C)OC(=O)c1cccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833444192 605481665 /nfs/dbraw/zinc/48/16/65/605481665.db2.gz RDOZCYUVCZGGNP-INIZCTEOSA-N -1 1 349.427 2.299 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CC(C)C ZINC000826232679 607763642 /nfs/dbraw/zinc/76/36/42/607763642.db2.gz CTXWIMGYBSDWDT-JTQLQIEISA-N -1 1 346.435 2.068 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833638042 605699254 /nfs/dbraw/zinc/69/92/54/605699254.db2.gz HLWMEFUJEKPXKI-MPGHIAIKSA-N -1 1 348.443 2.003 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc[nH]c2)c1-c1nn[n-]n1 ZINC000822486475 606148569 /nfs/dbraw/zinc/14/85/69/606148569.db2.gz KZERTQUVKCQLMT-UHFFFAOYSA-N -1 1 349.354 2.046 20 0 EEADMM CC(C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2N1 ZINC000820044332 606287749 /nfs/dbraw/zinc/28/77/49/606287749.db2.gz FQSFLDUYYJQGNL-OAHLLOKOSA-N -1 1 349.398 2.359 20 0 EEADMM CC(C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2N1 ZINC000820044332 606287751 /nfs/dbraw/zinc/28/77/51/606287751.db2.gz FQSFLDUYYJQGNL-OAHLLOKOSA-N -1 1 349.398 2.359 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1csc(C2CC2)n1 ZINC000823294809 606297231 /nfs/dbraw/zinc/29/72/31/606297231.db2.gz SCFDWNJZFHYMFI-UHFFFAOYSA-N -1 1 328.357 2.159 20 0 EEADMM O=C(CCc1cccc(F)c1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822983535 606298136 /nfs/dbraw/zinc/29/81/36/606298136.db2.gz PTYRKICOVQBUNN-UHFFFAOYSA-N -1 1 345.309 2.422 20 0 EEADMM CCCCCn1nc(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821062616 606367536 /nfs/dbraw/zinc/36/75/36/606367536.db2.gz ZRYIVOIWXNGLDH-UHFFFAOYSA-N -1 1 340.391 2.209 20 0 EEADMM CCCCCn1nc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821062616 606367537 /nfs/dbraw/zinc/36/75/37/606367537.db2.gz ZRYIVOIWXNGLDH-UHFFFAOYSA-N -1 1 340.391 2.209 20 0 EEADMM CCOC(=O)C1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCC1 ZINC000821319605 606468548 /nfs/dbraw/zinc/46/85/48/606468548.db2.gz FRRZMCAMEJGZMV-UHFFFAOYSA-N -1 1 336.783 2.060 20 0 EEADMM CCOC(=O)C1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCC1 ZINC000821319605 606468549 /nfs/dbraw/zinc/46/85/49/606468549.db2.gz FRRZMCAMEJGZMV-UHFFFAOYSA-N -1 1 336.783 2.060 20 0 EEADMM CCCc1sc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1CC ZINC000821142330 606531880 /nfs/dbraw/zinc/53/18/80/606531880.db2.gz GRPFMDCRZUGQQS-UHFFFAOYSA-N -1 1 331.405 2.419 20 0 EEADMM CCCc1sc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1CC ZINC000821142330 606531882 /nfs/dbraw/zinc/53/18/82/606531882.db2.gz GRPFMDCRZUGQQS-UHFFFAOYSA-N -1 1 331.405 2.419 20 0 EEADMM O=C(C=Cc1ccccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935248 606649843 /nfs/dbraw/zinc/64/98/43/606649843.db2.gz IOCROSMAEFBQCD-WAYWQWQTSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(C=Cc1ccccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935248 606649844 /nfs/dbraw/zinc/64/98/44/606649844.db2.gz IOCROSMAEFBQCD-WAYWQWQTSA-N -1 1 325.303 2.157 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000819891862 606651810 /nfs/dbraw/zinc/65/18/10/606651810.db2.gz JADIWUIXQRYNMS-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000819891862 606651811 /nfs/dbraw/zinc/65/18/11/606651811.db2.gz JADIWUIXQRYNMS-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cc(F)cc1F ZINC000823436152 606652923 /nfs/dbraw/zinc/65/29/23/606652923.db2.gz JJTNHIVHNZPPPF-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cc(F)cc1F ZINC000823436152 606652924 /nfs/dbraw/zinc/65/29/24/606652924.db2.gz JJTNHIVHNZPPPF-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820518393 606762165 /nfs/dbraw/zinc/76/21/65/606762165.db2.gz CYJYMAKICZURHP-LBPRGKRZSA-N -1 1 345.403 2.433 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820518393 606762166 /nfs/dbraw/zinc/76/21/66/606762166.db2.gz CYJYMAKICZURHP-LBPRGKRZSA-N -1 1 345.403 2.433 20 0 EEADMM Cn1ccnc1CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000822699331 606928250 /nfs/dbraw/zinc/92/82/50/606928250.db2.gz WICGMQDGABHSEY-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820226028 607222701 /nfs/dbraw/zinc/22/27/01/607222701.db2.gz SBKVRJJVYDTAFH-JTQLQIEISA-N -1 1 341.396 2.320 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820226028 607222702 /nfs/dbraw/zinc/22/27/02/607222702.db2.gz SBKVRJJVYDTAFH-JTQLQIEISA-N -1 1 341.396 2.320 20 0 EEADMM CCO[C@@H](C)c1noc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825576577 607865984 /nfs/dbraw/zinc/86/59/84/607865984.db2.gz KVMWCRXUVOXTJO-QMMMGPOBSA-N -1 1 334.311 2.065 20 0 EEADMM CCO[C@@H](C)c1noc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825576577 607865985 /nfs/dbraw/zinc/86/59/85/607865985.db2.gz KVMWCRXUVOXTJO-QMMMGPOBSA-N -1 1 334.311 2.065 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966184 607987803 /nfs/dbraw/zinc/98/78/03/607987803.db2.gz RZBUEQJVRRXJQH-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966184 607987804 /nfs/dbraw/zinc/98/78/04/607987804.db2.gz RZBUEQJVRRXJQH-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826402790 608075618 /nfs/dbraw/zinc/07/56/18/608075618.db2.gz BSFHXMMCYVVIBX-RJRFIUFISA-N -1 1 342.746 2.273 20 0 EEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824970895 608102557 /nfs/dbraw/zinc/10/25/57/608102557.db2.gz YRLKNZIBHXCXDF-MEDUHNTESA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824970895 608102558 /nfs/dbraw/zinc/10/25/58/608102558.db2.gz YRLKNZIBHXCXDF-MEDUHNTESA-N -1 1 334.383 2.315 20 0 EEADMM Cc1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1F ZINC000826289215 608318062 /nfs/dbraw/zinc/31/80/62/608318062.db2.gz QDYPFVCTWDTUEQ-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1F ZINC000826289215 608318064 /nfs/dbraw/zinc/31/80/64/608318064.db2.gz QDYPFVCTWDTUEQ-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM CCCCOc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825296361 608399865 /nfs/dbraw/zinc/39/98/65/608399865.db2.gz GARKEYZOFKMQRC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCCCOc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825296361 608399867 /nfs/dbraw/zinc/39/98/67/608399867.db2.gz GARKEYZOFKMQRC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM c1cc(-c2nnn[n-]2)nnc1NCCCc1nc2c(s1)CCCC2 ZINC000826514718 608412562 /nfs/dbraw/zinc/41/25/62/608412562.db2.gz ATMHDEKZDZHYLS-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM c1cc(-c2nn[n-]n2)nnc1NCCCc1nc2c(s1)CCCC2 ZINC000826514718 608412564 /nfs/dbraw/zinc/41/25/64/608412564.db2.gz ATMHDEKZDZHYLS-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908579 609135541 /nfs/dbraw/zinc/13/55/41/609135541.db2.gz PYGWMCJDWDJEKG-SCZZXKLOSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908579 609135542 /nfs/dbraw/zinc/13/55/42/609135542.db2.gz PYGWMCJDWDJEKG-SCZZXKLOSA-N -1 1 340.309 2.065 20 0 EEADMM O=C(Nc1cccc(CCCO)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826456556 609396023 /nfs/dbraw/zinc/39/60/23/609396023.db2.gz LOKOBFWTOOMRTL-UHFFFAOYSA-N -1 1 329.385 2.105 20 0 EEADMM O=C(Nc1cccc(CCCO)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826456556 609396026 /nfs/dbraw/zinc/39/60/26/609396026.db2.gz LOKOBFWTOOMRTL-UHFFFAOYSA-N -1 1 329.385 2.105 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)CC3 ZINC000826293361 609435323 /nfs/dbraw/zinc/43/53/23/609435323.db2.gz MCMGTSHAVLOCON-LLVKDONJSA-N -1 1 346.398 2.416 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)CC3 ZINC000826293361 609435324 /nfs/dbraw/zinc/43/53/24/609435324.db2.gz MCMGTSHAVLOCON-LLVKDONJSA-N -1 1 346.398 2.416 20 0 EEADMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866837427 674579502 /nfs/dbraw/zinc/57/95/02/674579502.db2.gz BGRGGZSSHMHKFN-VIFPVBQESA-N -1 1 327.233 2.074 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(F)(F)C(F)F ZINC000947236895 676037186 /nfs/dbraw/zinc/03/71/86/676037186.db2.gz ZDIMJOKRUKZZCY-UWVGGRQHSA-N -1 1 349.328 2.270 20 0 EEADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1OC ZINC000078790996 675426735 /nfs/dbraw/zinc/42/67/35/675426735.db2.gz WMWAJSGLNYVJHW-UHFFFAOYSA-N -1 1 345.399 2.149 20 0 EEADMM C[C@@H]1C[N@H+](CCCNC(=O)c2c(O)cccc2Cl)C[C@H](C)O1 ZINC000144663445 675661136 /nfs/dbraw/zinc/66/11/36/675661136.db2.gz LRKSLISWCBMTFY-TXEJJXNPSA-N -1 1 326.824 2.275 20 0 EEADMM CSc1nc(C)c(CCC(=O)NCCc2cccnc2C)c(=O)[n-]1 ZINC000890836235 675672201 /nfs/dbraw/zinc/67/22/01/675672201.db2.gz AMFXBZFMUWIHER-UHFFFAOYSA-N -1 1 346.456 2.207 20 0 EEADMM C[C@@]1(Br)C[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614780 676721109 /nfs/dbraw/zinc/72/11/09/676721109.db2.gz NKORRPADYZQZHS-AMIZOPFISA-N -1 1 326.194 2.173 20 0 EEADMM COc1ccc(F)cc1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618305 676726091 /nfs/dbraw/zinc/72/60/91/676726091.db2.gz OTYCIKOTDHYKMD-UHFFFAOYSA-N -1 1 331.347 2.390 20 0 EEADMM CC(C)COC[C@H](O)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896818990 685290104 /nfs/dbraw/zinc/29/01/04/685290104.db2.gz PRDBGDVKKLXUBJ-CQSZACIVSA-N -1 1 333.384 2.014 20 0 EEADMM Cn1c(CNC(=O)c2csc(Cc3ccccc3)n2)n[n-]c1=S ZINC000066625920 681740456 /nfs/dbraw/zinc/74/04/56/681740456.db2.gz HENYFNSGDLDIIW-UHFFFAOYSA-N -1 1 345.453 2.455 20 0 EEADMM CC[C@@]1(C(C)C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199223 682296628 /nfs/dbraw/zinc/29/66/28/682296628.db2.gz QRIJWVKIJYQOGV-MNUAXYBXSA-N -1 1 345.443 2.237 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)C1=CCCC1 ZINC000983570655 682873648 /nfs/dbraw/zinc/87/36/48/682873648.db2.gz NEPUMDDHEDHJKD-KBPBESRZSA-N -1 1 329.400 2.055 20 0 EEADMM O=C(CC1CCC1)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983571020 682877185 /nfs/dbraw/zinc/87/71/85/682877185.db2.gz KHYUIPZKDPRTFW-UONOGXRCSA-N -1 1 331.416 2.135 20 0 EEADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[N-]OCc1ccccn1 ZINC000909546917 685613696 /nfs/dbraw/zinc/61/36/96/685613696.db2.gz UCAMKITYZHSWLL-UHFFFAOYSA-N -1 1 342.321 2.248 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000983698355 683138711 /nfs/dbraw/zinc/13/87/11/683138711.db2.gz RQTBIMWTPGCSQW-IPYPFGDCSA-N -1 1 345.443 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000983833159 683596816 /nfs/dbraw/zinc/59/68/16/683596816.db2.gz PHUJRVLXKPSTIG-OAHLLOKOSA-N -1 1 339.395 2.164 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000834395946 683826341 /nfs/dbraw/zinc/82/63/41/683826341.db2.gz JKIXSKJWJSOTTP-AVGNSLFASA-N -1 1 333.432 2.476 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2CC[C@@H](Nc3cccc(F)n3)[C@@H]2C1 ZINC001060523175 684048998 /nfs/dbraw/zinc/04/89/98/684048998.db2.gz KKRFQRZFODPPLC-YNEHKIRRSA-N -1 1 342.374 2.284 20 0 EEADMM CC(C)C(=O)N[C@@H]1[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1(C)C ZINC000984167812 684190110 /nfs/dbraw/zinc/19/01/10/684190110.db2.gz PHEFNAIOFNXEEZ-MAZHCROVSA-N -1 1 345.443 2.189 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974055885 684274328 /nfs/dbraw/zinc/27/43/28/684274328.db2.gz BOYCGQKNYMCWSP-OKILXGFUSA-N -1 1 339.395 2.095 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978740289 693863542 /nfs/dbraw/zinc/86/35/42/693863542.db2.gz AHWYTFMRSXZPJD-KBXIAJHMSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])[C@H](C)N1CCOCC1 ZINC000896187907 684888225 /nfs/dbraw/zinc/88/82/25/684888225.db2.gz VANYYLZWJSBRHO-OLZOCXBDSA-N -1 1 344.411 2.090 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1F ZINC000159121734 684892260 /nfs/dbraw/zinc/89/22/60/684892260.db2.gz IWQQRTSSBBXPSC-NSHDSACASA-N -1 1 349.305 2.255 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(CCCCF)no1 ZINC000897212226 686257152 /nfs/dbraw/zinc/25/71/52/686257152.db2.gz UZENAVPZUJFEDK-UHFFFAOYSA-N -1 1 343.362 2.406 20 0 EEADMM C=C/C(C)=C/CC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059518184 686291597 /nfs/dbraw/zinc/29/15/97/686291597.db2.gz IKZWNVCKPSSEKZ-HVJNQHDOSA-N -1 1 343.427 2.278 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866928616 686818880 /nfs/dbraw/zinc/81/88/80/686818880.db2.gz NQHANWYXPOSGNL-VXGBXAGGSA-N -1 1 342.552 2.393 20 0 EEADMM Cc1ccc2ncnc(N[C@H]3C[C@@H](NC(=O)c4ncccc4[O-])C3)c2c1 ZINC001059613401 687402547 /nfs/dbraw/zinc/40/25/47/687402547.db2.gz FCTXPXIEFCUCDZ-BETUJISGSA-N -1 1 349.394 2.412 20 0 EEADMM CCC1(C(=O)N2CC[C@H](CCNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001060156621 694197511 /nfs/dbraw/zinc/19/75/11/694197511.db2.gz JMWJMTSNPBEIDL-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1OC ZINC000904049092 694283284 /nfs/dbraw/zinc/28/32/84/694283284.db2.gz WDLJHJWYEHRIKU-QGZVFWFLSA-N -1 1 347.415 2.441 20 0 EEADMM CC[C@H]1CN(C(=O)NCCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000263447451 689858912 /nfs/dbraw/zinc/85/89/12/689858912.db2.gz GFVKFEFZRHNXSC-INIZCTEOSA-N -1 1 333.432 2.157 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000987686074 689930428 /nfs/dbraw/zinc/93/04/28/689930428.db2.gz WOZRMNNXXZMVRH-TUVASFSCSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)C(=O)[O-] ZINC000904218795 694330115 /nfs/dbraw/zinc/33/01/15/694330115.db2.gz ONDOWYDVOKITDQ-YOEHRIQHSA-N -1 1 326.396 2.323 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000988272631 690448515 /nfs/dbraw/zinc/44/85/15/690448515.db2.gz HFYIZTWUAVNRRK-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000310108055 692346232 /nfs/dbraw/zinc/34/62/32/692346232.db2.gz BDOKIOUJTFHVFA-UHFFFAOYSA-N -1 1 349.584 2.309 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1ccc(Cl)o1 ZINC000977394960 692590059 /nfs/dbraw/zinc/59/00/59/692590059.db2.gz OHKGLDUXKLPKAK-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM Cc1occ(C(F)(F)F)c1C(=O)N1CC([N-]C(=O)C(C)(F)F)C1 ZINC000990055999 692610195 /nfs/dbraw/zinc/61/01/95/692610195.db2.gz LJJXISDDDCWXRB-UHFFFAOYSA-N -1 1 340.248 2.203 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])o1 ZINC000323305257 692659614 /nfs/dbraw/zinc/65/96/14/692659614.db2.gz CXILFBZUYNWGSE-SNVBAGLBSA-N -1 1 336.310 2.257 20 0 EEADMM CC(C)CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000990470361 692951162 /nfs/dbraw/zinc/95/11/62/692951162.db2.gz VUCREESLTZWLDH-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](NC(=O)C1(Cc2cccc(F)c2)CCOCC1)c1cc(=O)[nH][n-]1 ZINC000898877897 693500930 /nfs/dbraw/zinc/50/09/30/693500930.db2.gz OTUNDOMAUIQRFY-GFCCVEGCSA-N -1 1 347.390 2.471 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCOC3(CCC3)C2)C1 ZINC000899183997 693651324 /nfs/dbraw/zinc/65/13/24/693651324.db2.gz IIPZRTUEKZIREV-RISCZKNCSA-N -1 1 348.365 2.005 20 0 EEADMM Cc1[n-]n(-c2nc(Br)cn3ccnc23)c(=O)c1C(C)C ZINC000899353135 693712876 /nfs/dbraw/zinc/71/28/76/693712876.db2.gz TWXDNVAUPRRAPI-SNVBAGLBSA-N -1 1 336.193 2.487 20 0 EEADMM O=C([O-])[C@H](NCc1cc(CO)ccc1F)c1ccc2c(c1)CCO2 ZINC000905390496 694623145 /nfs/dbraw/zinc/62/31/45/694623145.db2.gz PVVHREYRYNXCNE-QGZVFWFLSA-N -1 1 331.343 2.168 20 0 EEADMM O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)CC1)c1ncccc1[O-] ZINC000943684495 1192474156 /nfs/dbraw/zinc/47/41/56/1192474156.db2.gz OUNFYLNMSTXEII-IHRRRGAJSA-N -1 1 343.427 2.135 20 0 EEADMM O=C(NC1CCN(C(=O)c2ccc(Cl)o2)CC1)c1ncccc1[O-] ZINC000944263661 1192976445 /nfs/dbraw/zinc/97/64/45/1192976445.db2.gz SSACCDNDGZEJSK-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM CCc1cc(C)nc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174691 1180713018 /nfs/dbraw/zinc/71/30/18/1180713018.db2.gz IUQHVYVSYJPHGB-CQSZACIVSA-N -1 1 343.431 2.315 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H](CN(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC001409003526 1185643414 /nfs/dbraw/zinc/64/34/14/1185643414.db2.gz YZPSOKVRAFPVMO-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076245246 1188807299 /nfs/dbraw/zinc/80/72/99/1188807299.db2.gz UXZVFAJMEINXGJ-QWRGUYRKSA-N -1 1 343.374 2.093 20 0 EEADMM O=[P@@]([O-])(O)CCO/C(=C\[C@H](O)C(F)(F)F)c1cccs1 ZINC001224603459 1189040910 /nfs/dbraw/zinc/04/09/10/1189040910.db2.gz YLDJBSWEPQSDLA-NMTCXDENSA-N -1 1 332.236 2.207 20 0 EEADMM CCC(CC)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001409784116 1190618780 /nfs/dbraw/zinc/61/87/80/1190618780.db2.gz YPCHXEXJUQTTBV-CQSZACIVSA-N -1 1 335.448 2.484 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])c1ccco1 ZINC001409805483 1190636476 /nfs/dbraw/zinc/63/64/76/1190636476.db2.gz GWGYCRUAMCEWJP-ZDUSSCGKSA-N -1 1 343.383 2.195 20 0 EEADMM CCOC(=O)Cc1cccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001212525122 1195940122 /nfs/dbraw/zinc/94/01/22/1195940122.db2.gz RJSWCRRJTKGNFX-UHFFFAOYSA-N -1 1 345.359 2.495 20 0 EEADMM Cc1ccsc1C(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005598085 1196528341 /nfs/dbraw/zinc/52/83/41/1196528341.db2.gz CIPRWYGBZQQUKF-LLVKDONJSA-N -1 1 345.424 2.048 20 0 EEADMM CCN(CCOc1ccccc1OC)Cc1cn(C)nc1C(=O)[O-] ZINC000864789051 1197942692 /nfs/dbraw/zinc/94/26/92/1197942692.db2.gz SXEXCMOFISOHGX-UHFFFAOYSA-N -1 1 333.388 2.028 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)C2(C3CC3)CC2)CN1C(=O)c1ncccc1[O-] ZINC001018217285 1224482687 /nfs/dbraw/zinc/48/26/87/1224482687.db2.gz XEBGSPJHPODWTK-OCCSQVGLSA-N -1 1 343.427 2.087 20 0 EEADMM COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000874769225 1198996053 /nfs/dbraw/zinc/99/60/53/1198996053.db2.gz JILKALAOCVCSOQ-BTDLBPIBSA-N -1 1 349.358 2.400 20 0 EEADMM CC(F)(F)C(=O)[N-][C@H](CO)c1ccc(Br)c(F)c1 ZINC000813838481 1199193387 /nfs/dbraw/zinc/19/33/87/1199193387.db2.gz LJUQEAICVCUEIK-SECBINFHSA-N -1 1 326.112 2.393 20 0 EEADMM CC(C)n1nnc([N-]C(=O)c2cc(COc3ccccc3F)on2)n1 ZINC001134128509 1199324927 /nfs/dbraw/zinc/32/49/27/1199324927.db2.gz QVEQHXNFVDMXCO-UHFFFAOYSA-N -1 1 346.322 2.212 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC(C)(C)C1CC1 ZINC001011725404 1224552925 /nfs/dbraw/zinc/55/29/25/1224552925.db2.gz DJJHVWRSMBCOCC-TZMCWYRMSA-N -1 1 345.443 2.333 20 0 EEADMM CCC[C@H](CC1CCCCC1)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001134679358 1199752839 /nfs/dbraw/zinc/75/28/39/1199752839.db2.gz GCWSRALUJHSKOT-CQSZACIVSA-N -1 1 337.468 2.103 20 0 EEADMM Cc1cc(C(F)(F)F)c(N2CCC(c3n[n-]c(=O)o3)CC2)nn1 ZINC000811843240 1200373307 /nfs/dbraw/zinc/37/33/07/1200373307.db2.gz OODLKZYGBVBQMI-UHFFFAOYSA-N -1 1 329.282 2.276 20 0 EEADMM Cc1nc(SCC(=O)c2ccc3c(c2)CC(=O)N3C)[n-]c(=O)c1C ZINC000812250999 1200582494 /nfs/dbraw/zinc/58/24/94/1200582494.db2.gz ITUNCHGWOVEKTD-UHFFFAOYSA-N -1 1 343.408 2.293 20 0 EEADMM S=c1nc(-c2ccccn2)[n-]n1CN1CC[C@H](n2cccn2)C1 ZINC000812296925 1200645771 /nfs/dbraw/zinc/64/57/71/1200645771.db2.gz SIIGIQOEPWSJFR-LBPRGKRZSA-N -1 1 327.417 2.104 20 0 EEADMM O=S(=O)([N-]C1CCN(c2ccccc2)CC1)c1c[nH]nc1Cl ZINC000830161599 1200736378 /nfs/dbraw/zinc/73/63/78/1200736378.db2.gz SXHSDTLJYADGOW-UHFFFAOYSA-N -1 1 340.836 2.010 20 0 EEADMM C[C@H]1[C@H](NC(=O)C2(C3CC3)CC2)CCCN1C(=O)c1ncccc1[O-] ZINC001015013073 1224644566 /nfs/dbraw/zinc/64/45/66/1224644566.db2.gz OQKOIXFZVVQJFO-GXTWGEPZSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C[C@H](O)c2cccc(F)c2)C1 ZINC000879763532 1201246283 /nfs/dbraw/zinc/24/62/83/1201246283.db2.gz GKCSCDLBRZDJJJ-JSGCOSHPSA-N -1 1 334.313 2.002 20 0 EEADMM 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ZINC001605853163 1351237564 /nfs/dbraw/zinc/23/75/64/1351237564.db2.gz FECMLMNBHYGDTQ-UHFFFAOYSA-N -1 1 334.430 2.298 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c[nH]nc2cc1C ZINC001607708936 1351543656 /nfs/dbraw/zinc/54/36/56/1351543656.db2.gz BQGWQOAFGUTGSX-UHFFFAOYSA-N -1 1 335.341 2.272 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C(C)C)n1 ZINC001607727501 1351547582 /nfs/dbraw/zinc/54/75/82/1351547582.db2.gz APRRWLWIYYNOMX-AWEZNQCLSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1oc(CNC(=O)N2CCN(C)C[C@H]2CC(C)C)cc1C(=O)[O-] ZINC001608048265 1351613412 /nfs/dbraw/zinc/61/34/12/1351613412.db2.gz KOPJOSJBVKESRI-CYBMUJFWSA-N -1 1 337.420 2.158 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)OCc2ccc3[nH]nnc3c2)cc1 ZINC001608316345 1351669620 /nfs/dbraw/zinc/66/96/20/1351669620.db2.gz ICFBMMSQJLMYCH-UHFFFAOYSA-N -1 1 325.324 2.332 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)OCc2ccc3nn[nH]c3c2)cc1 ZINC001608316345 1351669623 /nfs/dbraw/zinc/66/96/23/1351669623.db2.gz ICFBMMSQJLMYCH-UHFFFAOYSA-N -1 1 325.324 2.332 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCO[C@H](CCc3ccccc3)C2)C1(F)F ZINC001608596000 1351722847 /nfs/dbraw/zinc/72/28/47/1351722847.db2.gz GYFFHKVUUFIVTO-ILXRZTDVSA-N -1 1 325.355 2.286 20 0 EEADMM O=C([O-])C=Cc1ccc(OCCN2CCC[C@H]2c2nnc[nH]2)cc1 ZINC001608661810 1351736628 /nfs/dbraw/zinc/73/66/28/1351736628.db2.gz GDSKCLMWPYZERR-PXTSUWAFSA-N -1 1 328.372 2.118 20 0 EEADMM O=C([O-])CC1(CNC(=O)c2ccn(-c3ccncc3)n2)CCCC1 ZINC001608680193 1351740727 /nfs/dbraw/zinc/74/07/27/1351740727.db2.gz OOWJNECVYIRVBQ-UHFFFAOYSA-N -1 1 328.372 2.032 20 0 EEADMM O=C([O-])c1cc(C[NH2+][C@@H](C(=O)[O-])c2ccsc2)n2c1CCCC2 ZINC001608843106 1351776859 /nfs/dbraw/zinc/77/68/59/1351776859.db2.gz RVAJDJPMQAARCJ-CQSZACIVSA-N -1 1 334.397 2.500 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCOCCC(C)C ZINC001318974585 1332630940 /nfs/dbraw/zinc/63/09/40/1332630940.db2.gz PAHNHFLAVNYEBT-UHFFFAOYSA-N -1 1 337.388 2.314 20 0 EEADMM O=C([O-])c1cnc(CNc2ccc(CCN3CCOCC3)cc2)s1 ZINC001608972701 1351805554 /nfs/dbraw/zinc/80/55/54/1351805554.db2.gz KELYDQJXSWEODL-UHFFFAOYSA-N -1 1 347.440 2.328 20 0 EEADMM COCc1ncsc1C(=O)[N-]c1nnc(-c2ccncc2)s1 ZINC001321410379 1333097678 /nfs/dbraw/zinc/09/76/78/1333097678.db2.gz QZUBDVMYOBGASX-UHFFFAOYSA-N -1 1 333.398 2.455 20 0 EEADMM CC(C)=CC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001609085521 1351836292 /nfs/dbraw/zinc/83/62/92/1351836292.db2.gz CYCUSLUUZGXJTI-UHFFFAOYSA-N -1 1 342.403 2.034 20 0 EEADMM Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2Br)no1 ZINC001201770146 1368843612 /nfs/dbraw/zinc/84/36/12/1368843612.db2.gz CTSOURZHZZHKPI-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001609132172 1351854917 /nfs/dbraw/zinc/85/49/17/1351854917.db2.gz LKLUYOLRCGDAEQ-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001609132172 1351854921 /nfs/dbraw/zinc/85/49/21/1351854921.db2.gz LKLUYOLRCGDAEQ-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)Cc2ccccc2O1 ZINC001609146321 1351861528 /nfs/dbraw/zinc/86/15/28/1351861528.db2.gz AUWMJTVALLFPNS-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)Cc2ccccc2O1 ZINC001609146321 1351861531 /nfs/dbraw/zinc/86/15/31/1351861531.db2.gz AUWMJTVALLFPNS-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM CC[C@H](C)c1ccc(C(=O)COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001609187613 1351881849 /nfs/dbraw/zinc/88/18/49/1351881849.db2.gz KCFWPELZZZWYDQ-NSHDSACASA-N -1 1 338.371 2.432 20 0 EEADMM CC[C@H](C)n1nc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1C ZINC001609187597 1351881880 /nfs/dbraw/zinc/88/18/80/1351881880.db2.gz JQDWYJZGCQMOIA-VIFPVBQESA-N -1 1 341.379 2.382 20 0 EEADMM CC[C@H](C)n1nc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1C ZINC001609187597 1351881886 /nfs/dbraw/zinc/88/18/86/1351881886.db2.gz JQDWYJZGCQMOIA-VIFPVBQESA-N -1 1 341.379 2.382 20 0 EEADMM CC=CC=CC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001609180248 1351878786 /nfs/dbraw/zinc/87/87/86/1351878786.db2.gz IOMROQDYFGAERU-HFBSYCRKSA-N -1 1 335.371 2.432 20 0 EEADMM CC=CC=CC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001609180248 1351878792 /nfs/dbraw/zinc/87/87/92/1351878792.db2.gz IOMROQDYFGAERU-HFBSYCRKSA-N -1 1 335.371 2.432 20 0 EEADMM CCC[C@H]1C[C@H](C(=O)Nc2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001609207123 1351891845 /nfs/dbraw/zinc/89/18/45/1351891845.db2.gz VOBBPQPTXVVXAE-ZJUUUORDSA-N -1 1 336.421 2.165 20 0 EEADMM CCC[C@H]1C[C@H](C(=O)Nc2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001609207123 1351891850 /nfs/dbraw/zinc/89/18/50/1351891850.db2.gz VOBBPQPTXVVXAE-ZJUUUORDSA-N -1 1 336.421 2.165 20 0 EEADMM CCCCC[C@H](NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609209112 1351893028 /nfs/dbraw/zinc/89/30/28/1351893028.db2.gz MJBYROPEHKZPDN-NEPJUHHUSA-N -1 1 348.455 2.130 20 0 EEADMM CCN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001609222743 1351899821 /nfs/dbraw/zinc/89/98/21/1351899821.db2.gz WPJFUFCOWQAXMI-UHFFFAOYSA-N -1 1 332.433 2.343 20 0 EEADMM CN(Cc1nc(-c2nnn[n-]2)cs1)C[C@@H]1OCCc2ccccc21 ZINC001609281974 1351920921 /nfs/dbraw/zinc/92/09/21/1351920921.db2.gz VZCTYQKHIDWJBX-AWEZNQCLSA-N -1 1 342.428 2.069 20 0 EEADMM CN(Cc1nc(-c2nn[n-]n2)cs1)C[C@@H]1OCCc2ccccc21 ZINC001609281974 1351920927 /nfs/dbraw/zinc/92/09/27/1351920927.db2.gz VZCTYQKHIDWJBX-AWEZNQCLSA-N -1 1 342.428 2.069 20 0 EEADMM COc1cccc(F)c1[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609362057 1351947233 /nfs/dbraw/zinc/94/72/33/1351947233.db2.gz QEGBUPVHBZKRBK-JTQLQIEISA-N -1 1 328.351 2.313 20 0 EEADMM COc1cccc(F)c1[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609362057 1351947234 /nfs/dbraw/zinc/94/72/34/1351947234.db2.gz QEGBUPVHBZKRBK-JTQLQIEISA-N -1 1 328.351 2.313 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCC(C)C ZINC001609378135 1351952552 /nfs/dbraw/zinc/95/25/52/1351952552.db2.gz LPNXFVHPQWGCIY-UHFFFAOYSA-N -1 1 333.392 2.106 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609421844 1351969870 /nfs/dbraw/zinc/96/98/70/1351969870.db2.gz DMLMHPINICQTPT-OAHLLOKOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609421844 1351969871 /nfs/dbraw/zinc/96/98/71/1351969871.db2.gz DMLMHPINICQTPT-OAHLLOKOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1nc(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)o2)no1 ZINC001609444935 1351980744 /nfs/dbraw/zinc/98/07/44/1351980744.db2.gz ACAGIZKZQFLSLN-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1nc(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)o2)no1 ZINC001609444935 1351980747 /nfs/dbraw/zinc/98/07/47/1351980747.db2.gz ACAGIZKZQFLSLN-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)nn1[C@@H](C)C1CC1 ZINC001609468381 1351989259 /nfs/dbraw/zinc/98/92/59/1351989259.db2.gz RPQQNTPGHGPASM-VIFPVBQESA-N -1 1 341.375 2.496 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)nn1[C@@H](C)C1CC1 ZINC001609468381 1351989262 /nfs/dbraw/zinc/98/92/62/1351989262.db2.gz RPQQNTPGHGPASM-VIFPVBQESA-N -1 1 341.375 2.496 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccccc1OC(F)F ZINC001609467660 1351988387 /nfs/dbraw/zinc/98/83/87/1351988387.db2.gz OXNJSWXVYXDTSW-UHFFFAOYSA-N -1 1 349.297 2.300 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1OC(F)F ZINC001609467660 1351988391 /nfs/dbraw/zinc/98/83/91/1351988391.db2.gz OXNJSWXVYXDTSW-UHFFFAOYSA-N -1 1 349.297 2.300 20 0 EEADMM Clc1nsc(N2C[C@]3(CCCO3)[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001609474815 1351991702 /nfs/dbraw/zinc/99/17/02/1351991702.db2.gz VJSTUVCYWYPEKI-NOZJJQNGSA-N -1 1 338.824 2.124 20 0 EEADMM Clc1nsc(N2C[C@]3(CCCO3)[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001609474815 1351991703 /nfs/dbraw/zinc/99/17/03/1351991703.db2.gz VJSTUVCYWYPEKI-NOZJJQNGSA-N -1 1 338.824 2.124 20 0 EEADMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540786 1352010023 /nfs/dbraw/zinc/01/00/23/1352010023.db2.gz NHBJGFZXSVXHTA-GDBMZVCRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540786 1352010028 /nfs/dbraw/zinc/01/00/28/1352010028.db2.gz NHBJGFZXSVXHTA-GDBMZVCRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609560937 1352016558 /nfs/dbraw/zinc/01/65/58/1352016558.db2.gz UTVGQZQBDLEZML-QWHCGFSZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609560937 1352016562 /nfs/dbraw/zinc/01/65/62/1352016562.db2.gz UTVGQZQBDLEZML-QWHCGFSZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1scnc1C1CC1 ZINC001609578666 1352024020 /nfs/dbraw/zinc/02/40/20/1352024020.db2.gz WIIBQLZUDRBRRS-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1scnc1C1CC1 ZINC001609578666 1352024023 /nfs/dbraw/zinc/02/40/23/1352024023.db2.gz WIIBQLZUDRBRRS-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001609578676 1352024341 /nfs/dbraw/zinc/02/43/41/1352024341.db2.gz XEYWOROVESZXKW-QWRGUYRKSA-N -1 1 345.359 2.309 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001609578676 1352024345 /nfs/dbraw/zinc/02/43/45/1352024345.db2.gz XEYWOROVESZXKW-QWRGUYRKSA-N -1 1 345.359 2.309 20 0 EEADMM O=C1CCN1c1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC001609588924 1352028285 /nfs/dbraw/zinc/02/82/85/1352028285.db2.gz RWINDONAGALJEF-UHFFFAOYSA-N -1 1 341.762 2.395 20 0 EEADMM O=C1CCN1c1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC001609588924 1352028286 /nfs/dbraw/zinc/02/82/86/1352028286.db2.gz RWINDONAGALJEF-UHFFFAOYSA-N -1 1 341.762 2.395 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nc(-c2ccccc2)cs1 ZINC001609603892 1352032286 /nfs/dbraw/zinc/03/22/86/1352032286.db2.gz JASQFFJRXGBNLE-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM c1ccc(CC[C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001609616915 1352041116 /nfs/dbraw/zinc/04/11/16/1352041116.db2.gz KZWUPKFKZUFKQO-HNNXBMFYSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc(CC[C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001609616915 1352041120 /nfs/dbraw/zinc/04/11/20/1352041120.db2.gz KZWUPKFKZUFKQO-HNNXBMFYSA-N -1 1 336.399 2.100 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCCC(F)F ZINC001336904730 1336614388 /nfs/dbraw/zinc/61/43/88/1336614388.db2.gz VMNXFGKFDHXLEV-UHFFFAOYSA-N -1 1 326.347 2.146 20 0 EEADMM C[C@@]1(C2CCCC2)CC(=O)N(CN2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001609822416 1352093666 /nfs/dbraw/zinc/09/36/66/1352093666.db2.gz UYTSBMAHBUSYHP-SUMWQHHRSA-N -1 1 340.489 2.122 20 0 EEADMM CO[C@H](CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)c1ccc(F)cc1 ZINC001347967760 1337528139 /nfs/dbraw/zinc/52/81/39/1337528139.db2.gz YCTSLFUEPRVCIQ-LLVKDONJSA-N -1 1 337.376 2.036 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001348203294 1337545116 /nfs/dbraw/zinc/54/51/16/1337545116.db2.gz QFZXFIAJHVESTL-NWDGAFQWSA-N -1 1 337.445 2.058 20 0 EEADMM CCOC[C@@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C(C)C ZINC001610034804 1352146532 /nfs/dbraw/zinc/14/65/32/1352146532.db2.gz UZCBAKNNALWKLM-CQSZACIVSA-N -1 1 333.388 2.184 20 0 EEADMM CCc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001610069954 1352154955 /nfs/dbraw/zinc/15/49/55/1352154955.db2.gz CAJAXUMVONKTAC-CQSZACIVSA-N -1 1 347.459 2.388 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1Cc2ccccc2C1 ZINC001351194488 1337794431 /nfs/dbraw/zinc/79/44/31/1337794431.db2.gz PEUCZZZFUIMBDI-UHFFFAOYSA-N -1 1 334.383 2.375 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccsc1 ZINC001610097924 1352161782 /nfs/dbraw/zinc/16/17/82/1352161782.db2.gz LYUBDNWUNQCZEC-CQSZACIVSA-N -1 1 339.461 2.247 20 0 EEADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1[C@@H](C)CCc1cccc(F)c1 ZINC001610162151 1352176062 /nfs/dbraw/zinc/17/60/62/1352176062.db2.gz JBZQZHXWTKUCPE-BJJXKVORSA-N -1 1 337.391 2.485 20 0 EEADMM COCCN(Cc1c(C)nn(C)c1C)Cc1ccccc1C(=O)[O-] ZINC001610263047 1352195988 /nfs/dbraw/zinc/19/59/88/1352195988.db2.gz SKYVWAUFJYHZGL-UHFFFAOYSA-N -1 1 331.416 2.384 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCc2cc(C3CC3)n[nH]2)c(=O)[n-]1 ZINC000848015968 1338449281 /nfs/dbraw/zinc/44/92/81/1338449281.db2.gz ZAKPUMXQTHZDQC-UHFFFAOYSA-N -1 1 348.428 2.489 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1cccnc1 ZINC000848343217 1338683754 /nfs/dbraw/zinc/68/37/54/1338683754.db2.gz TUPCEUYDDJLEKQ-DGCLKSJQSA-N -1 1 343.349 2.072 20 0 EEADMM Cc1cc(NC(=O)Nc2cc(-c3nccn3C)n[nH]2)ccc1C(=O)[O-] ZINC001610473936 1352228730 /nfs/dbraw/zinc/22/87/30/1352228730.db2.gz VHVIAYSBAJFUFV-UHFFFAOYSA-N -1 1 340.343 2.461 20 0 EEADMM Cc1nc2cccc(C(=O)N3C[C@H](C(=O)[O-])Oc4ccccc43)c2[nH]1 ZINC001610559050 1352244532 /nfs/dbraw/zinc/24/45/32/1352244532.db2.gz BFUBMSBOSUTGCU-OAHLLOKOSA-N -1 1 337.335 2.364 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001610564426 1352245643 /nfs/dbraw/zinc/24/56/43/1352245643.db2.gz AGIOOIFHFXHTEV-CHWSQXEVSA-N -1 1 328.372 2.405 20 0 EEADMM CC(C)CCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428369071 1339481560 /nfs/dbraw/zinc/48/15/60/1339481560.db2.gz NXAUHGGXUWHGKT-CQSZACIVSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001428515690 1339544998 /nfs/dbraw/zinc/54/49/98/1339544998.db2.gz FZYOIVDQRUWRNE-STQMWFEESA-N -1 1 327.384 2.114 20 0 EEADMM O=C([O-])C[C@@]1(NCc2nn(-c3ccccc3)c3c2CCC3)CCOC1 ZINC001610759245 1352270113 /nfs/dbraw/zinc/27/01/13/1352270113.db2.gz IRMRFUJMPZVWEL-IBGZPJMESA-N -1 1 341.411 2.084 20 0 EEADMM O=C([O-])CN(Cc1cccc(Br)c1)Cc1cncnc1 ZINC001610781463 1352273739 /nfs/dbraw/zinc/27/37/39/1352273739.db2.gz GOMWLHOERPWCRZ-UHFFFAOYSA-N -1 1 336.189 2.326 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1F ZINC001610792312 1352275334 /nfs/dbraw/zinc/27/53/34/1352275334.db2.gz NGHFWCFIZYIHBJ-UHFFFAOYSA-N -1 1 335.379 2.012 20 0 EEADMM Cc1csc([C@H](C)C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)n1 ZINC001617743783 1352344456 /nfs/dbraw/zinc/34/44/56/1352344456.db2.gz LXUUWFLFTIKBIE-SNVBAGLBSA-N -1 1 344.400 2.286 20 0 EEADMM CCOc1ccc(C(=O)NC(CC)(CC)c2nn[n-]n2)cc1OC ZINC001433962161 1341732360 /nfs/dbraw/zinc/73/23/60/1341732360.db2.gz BJCLSXXMYLSULL-UHFFFAOYSA-N -1 1 333.392 2.052 20 0 EEADMM CCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001576425902 1344014383 /nfs/dbraw/zinc/01/43/83/1344014383.db2.gz IZBVYABDKDJPPQ-QWRGUYRKSA-N -1 1 349.464 2.081 20 0 EEADMM CN(CCCc1ccccc1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579128340 1344340697 /nfs/dbraw/zinc/34/06/97/1344340697.db2.gz JMNVYCYLXLQBMN-UHFFFAOYSA-N -1 1 337.387 2.358 20 0 EEADMM CN(CCCc1ccccc1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579128340 1344340692 /nfs/dbraw/zinc/34/06/92/1344340692.db2.gz JMNVYCYLXLQBMN-UHFFFAOYSA-N -1 1 337.387 2.358 20 0 EEADMM COc1cc2ccccc2cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001579939049 1344436552 /nfs/dbraw/zinc/43/65/52/1344436552.db2.gz KOIDHYGZYXIETH-UHFFFAOYSA-N -1 1 349.354 2.014 20 0 EEADMM COc1cc2ccccc2cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001579939049 1344436557 /nfs/dbraw/zinc/43/65/57/1344436557.db2.gz KOIDHYGZYXIETH-UHFFFAOYSA-N -1 1 349.354 2.014 20 0 EEADMM COc1ncc(NC(=O)N(C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC001580135062 1344479018 /nfs/dbraw/zinc/47/90/18/1344479018.db2.gz SBTTVSDGUGNDQO-UHFFFAOYSA-N -1 1 339.359 2.247 20 0 EEADMM Cc1cc2nc(Cl)cc(Oc3ccc(F)nc3-c3nn[n-]n3)n2n1 ZINC001581046369 1344584141 /nfs/dbraw/zinc/58/41/41/1344584141.db2.gz RACIWXAGEVWDIN-UHFFFAOYSA-N -1 1 346.713 2.198 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC001582327863 1344732709 /nfs/dbraw/zinc/73/27/09/1344732709.db2.gz JNIKVTNTHHLSSJ-NSHDSACASA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC001582327863 1344732713 /nfs/dbraw/zinc/73/27/13/1344732713.db2.gz JNIKVTNTHHLSSJ-NSHDSACASA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NC[C@H](O)c1ccccc1Cl)c1ccsc1-c1nnn[n-]1 ZINC001582381977 1344747133 /nfs/dbraw/zinc/74/71/33/1344747133.db2.gz QUWJOCWJOBQTSI-NSHDSACASA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@H](O)c1ccccc1Cl)c1ccsc1-c1nn[n-]n1 ZINC001582381977 1344747137 /nfs/dbraw/zinc/74/71/37/1344747137.db2.gz QUWJOCWJOBQTSI-NSHDSACASA-N -1 1 349.803 2.045 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1coc(-c2nnn[n-]2)c1 ZINC001582583818 1344766096 /nfs/dbraw/zinc/76/60/96/1344766096.db2.gz NBGMZELMCNGMRB-CMPLNLGQSA-N -1 1 331.282 2.024 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1coc(-c2nn[n-]n2)c1 ZINC001582583818 1344766099 /nfs/dbraw/zinc/76/60/99/1344766099.db2.gz NBGMZELMCNGMRB-CMPLNLGQSA-N -1 1 331.282 2.024 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2cnccc2c1 ZINC001582629251 1344770376 /nfs/dbraw/zinc/77/03/76/1344770376.db2.gz GBBVAPBUFAWYBR-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(SC(F)F)cc1 ZINC001582631944 1344771595 /nfs/dbraw/zinc/77/15/95/1344771595.db2.gz SZLHHBYPZXTJBV-UHFFFAOYSA-N -1 1 337.315 2.157 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(SC(F)F)cc1 ZINC001582631944 1344771598 /nfs/dbraw/zinc/77/15/98/1344771598.db2.gz SZLHHBYPZXTJBV-UHFFFAOYSA-N -1 1 337.315 2.157 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2cccnc2c1 ZINC001582634255 1344772208 /nfs/dbraw/zinc/77/22/08/1344772208.db2.gz LOFGWSSMZDMNJA-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O[C@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001582814472 1344795674 /nfs/dbraw/zinc/79/56/74/1344795674.db2.gz MFDPETCHOIGNCJ-SNVBAGLBSA-N -1 1 325.159 2.104 20 0 EEADMM O[C@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC001582814472 1344795676 /nfs/dbraw/zinc/79/56/76/1344795676.db2.gz MFDPETCHOIGNCJ-SNVBAGLBSA-N -1 1 325.159 2.104 20 0 EEADMM CCc1nocc1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC001583095503 1344871860 /nfs/dbraw/zinc/87/18/60/1344871860.db2.gz XRZBRAPETIXGHY-UHFFFAOYSA-N -1 1 336.149 2.295 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001584452968 1348737521 /nfs/dbraw/zinc/73/75/21/1348737521.db2.gz ACBNOLFXDSISPZ-YMTOWFKASA-N -1 1 339.355 2.058 20 0 EEADMM CNc1cc(Cl)ccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586105842 1348840959 /nfs/dbraw/zinc/84/09/59/1348840959.db2.gz RWPPCHUIBVYPEW-CQSZACIVSA-N -1 1 342.790 2.414 20 0 EEADMM CC(=O)CCCCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001588792082 1348936974 /nfs/dbraw/zinc/93/69/74/1348936974.db2.gz ROCMOFUQYWBOBZ-UHFFFAOYSA-N -1 1 340.387 2.227 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001589118759 1348962393 /nfs/dbraw/zinc/96/23/93/1348962393.db2.gz KWUNNPNKCLOVLD-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589118759 1348962395 /nfs/dbraw/zinc/96/23/95/1348962395.db2.gz KWUNNPNKCLOVLD-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001589198150 1348968854 /nfs/dbraw/zinc/96/88/54/1348968854.db2.gz PWTTXDXTLIGYTO-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001589198150 1348968855 /nfs/dbraw/zinc/96/88/55/1348968855.db2.gz PWTTXDXTLIGYTO-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)Oc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001589202763 1348969881 /nfs/dbraw/zinc/96/98/81/1348969881.db2.gz PHYJRYBGVVFRPZ-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c(-c2nnn[n-]2)s1 ZINC001589214920 1348970408 /nfs/dbraw/zinc/97/04/08/1348970408.db2.gz QZMWFYDVFKAYGO-NZXMKCKXSA-N -1 1 345.428 2.389 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)c(-c2nn[n-]n2)s1 ZINC001589214920 1348970412 /nfs/dbraw/zinc/97/04/12/1348970412.db2.gz QZMWFYDVFKAYGO-NZXMKCKXSA-N -1 1 345.428 2.389 20 0 EEADMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589500971 1348997224 /nfs/dbraw/zinc/99/72/24/1348997224.db2.gz WHLZVZMEJBHTMS-WCQYABFASA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589500971 1348997225 /nfs/dbraw/zinc/99/72/25/1348997225.db2.gz WHLZVZMEJBHTMS-WCQYABFASA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)CCn1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001589613549 1349010249 /nfs/dbraw/zinc/01/02/49/1349010249.db2.gz HDRMOYOOJKNWSL-UHFFFAOYSA-N -1 1 341.379 2.148 20 0 EEADMM CC(C)CCn1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589613549 1349010253 /nfs/dbraw/zinc/01/02/53/1349010253.db2.gz HDRMOYOOJKNWSL-UHFFFAOYSA-N -1 1 341.379 2.148 20 0 EEADMM CC(C)CN(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589614045 1349010299 /nfs/dbraw/zinc/01/02/99/1349010299.db2.gz LQZANXFZILAUID-UHFFFAOYSA-N -1 1 328.298 2.009 20 0 EEADMM CC(C)CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001589613414 1349010809 /nfs/dbraw/zinc/01/08/09/1349010809.db2.gz XFKNABDSYHOHNB-UHFFFAOYSA-N -1 1 336.399 2.493 20 0 EEADMM CC(C)CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001589613414 1349010814 /nfs/dbraw/zinc/01/08/14/1349010814.db2.gz XFKNABDSYHOHNB-UHFFFAOYSA-N -1 1 336.399 2.493 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)ccn1 ZINC001589751017 1349029309 /nfs/dbraw/zinc/02/93/09/1349029309.db2.gz UIMBZJHJQWCREN-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)ccn1 ZINC001589751017 1349029314 /nfs/dbraw/zinc/02/93/14/1349029314.db2.gz UIMBZJHJQWCREN-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)n1ncc2cc(NC(=O)c3cccc(-c4nnn[n-]4)n3)ccc21 ZINC001589785216 1349041795 /nfs/dbraw/zinc/04/17/95/1349041795.db2.gz RMYKCRVOAZEQLV-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1ncc2cc(NC(=O)c3cccc(-c4nn[n-]n4)n3)ccc21 ZINC001589785216 1349041798 /nfs/dbraw/zinc/04/17/98/1349041798.db2.gz RMYKCRVOAZEQLV-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC001590165580 1349182929 /nfs/dbraw/zinc/18/29/29/1349182929.db2.gz NCLFVHDMNPXDJV-KNXALSJPSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC001590165580 1349182935 /nfs/dbraw/zinc/18/29/35/1349182935.db2.gz NCLFVHDMNPXDJV-KNXALSJPSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001590236268 1349217074 /nfs/dbraw/zinc/21/70/74/1349217074.db2.gz IJQYGFSZYOHABQ-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001590236268 1349217078 /nfs/dbraw/zinc/21/70/78/1349217078.db2.gz IJQYGFSZYOHABQ-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM CC[C@@H](C)CN(CC)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590411088 1349310527 /nfs/dbraw/zinc/31/05/27/1349310527.db2.gz URIVOCUDVASRON-SNVBAGLBSA-N -1 1 333.396 2.170 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590478909 1349351215 /nfs/dbraw/zinc/35/12/15/1349351215.db2.gz GCYNBGHGRXNRRR-JTQLQIEISA-N -1 1 336.421 2.390 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590478909 1349351217 /nfs/dbraw/zinc/35/12/17/1349351217.db2.gz GCYNBGHGRXNRRR-JTQLQIEISA-N -1 1 336.421 2.390 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590483631 1349351720 /nfs/dbraw/zinc/35/17/20/1349351720.db2.gz PLXPZNDQNUAJSX-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590483631 1349351725 /nfs/dbraw/zinc/35/17/25/1349351725.db2.gz PLXPZNDQNUAJSX-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CCCCc1noc(CSCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590614509 1349376711 /nfs/dbraw/zinc/37/67/11/1349376711.db2.gz KPSZLBKQSQMSAQ-UHFFFAOYSA-N -1 1 337.434 2.482 20 0 EEADMM CCCCc1noc(CSCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590614509 1349376718 /nfs/dbraw/zinc/37/67/18/1349376718.db2.gz KPSZLBKQSQMSAQ-UHFFFAOYSA-N -1 1 337.434 2.482 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC001590789638 1349401174 /nfs/dbraw/zinc/40/11/74/1349401174.db2.gz AZAHURABXVEXAO-HUUCEWRRSA-N -1 1 328.420 2.223 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC001590789638 1349401180 /nfs/dbraw/zinc/40/11/80/1349401180.db2.gz AZAHURABXVEXAO-HUUCEWRRSA-N -1 1 328.420 2.223 20 0 EEADMM CCc1nc(NC[C@@H]2CCc3ccccc3N2)cc(-c2nnn[n-]2)n1 ZINC001590918901 1349412487 /nfs/dbraw/zinc/41/24/87/1349412487.db2.gz JUMSGIILBVNMOJ-LBPRGKRZSA-N -1 1 336.403 2.058 20 0 EEADMM CCc1nc(NC[C@@H]2CCc3ccccc3N2)cc(-c2nn[n-]n2)n1 ZINC001590918901 1349412497 /nfs/dbraw/zinc/41/24/97/1349412497.db2.gz JUMSGIILBVNMOJ-LBPRGKRZSA-N -1 1 336.403 2.058 20 0 EEADMM CCc1nc(NCc2ccc(-c3cnco3)cc2)cc(-c2nnn[n-]2)n1 ZINC001590923030 1349414512 /nfs/dbraw/zinc/41/45/12/1349414512.db2.gz JSHQPLZWLCPJGY-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CCc1nc(NCc2ccc(-c3cnco3)cc2)cc(-c2nn[n-]n2)n1 ZINC001590923030 1349414515 /nfs/dbraw/zinc/41/45/15/1349414515.db2.gz JSHQPLZWLCPJGY-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CCc1nn(C[C@H]2CCC[C@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929537 1349416282 /nfs/dbraw/zinc/41/62/82/1349416282.db2.gz BNGOHIZJOPOBTG-RYUDHWBXSA-N -1 1 330.436 2.375 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591336974 1349463317 /nfs/dbraw/zinc/46/33/17/1349463317.db2.gz XRDKSWGSSJWEQS-OTYXRUKQSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591336974 1349463320 /nfs/dbraw/zinc/46/33/20/1349463320.db2.gz XRDKSWGSSJWEQS-OTYXRUKQSA-N -1 1 345.794 2.498 20 0 EEADMM COCC1(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC001591389143 1349479628 /nfs/dbraw/zinc/47/96/28/1349479628.db2.gz NDICOQVGNNLNKM-UHFFFAOYSA-N -1 1 347.394 2.333 20 0 EEADMM COCC1(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC001591389143 1349479633 /nfs/dbraw/zinc/47/96/33/1349479633.db2.gz NDICOQVGNNLNKM-UHFFFAOYSA-N -1 1 347.394 2.333 20 0 EEADMM COCCOc1ccccc1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591446209 1349485045 /nfs/dbraw/zinc/48/50/45/1349485045.db2.gz MZMHWRGRXVXMSG-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COc1cc(F)c(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1OC ZINC001591540573 1349502966 /nfs/dbraw/zinc/50/29/66/1349502966.db2.gz ZAKKRSFTUKGJMB-UHFFFAOYSA-N -1 1 349.347 2.337 20 0 EEADMM COc1ccc(OC)c(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001591620323 1349516034 /nfs/dbraw/zinc/51/60/34/1349516034.db2.gz MZZLVAWTDAUQTA-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM COc1ccc(OC)c(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001591620323 1349516039 /nfs/dbraw/zinc/51/60/39/1349516039.db2.gz MZZLVAWTDAUQTA-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2COC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001591622634 1349518678 /nfs/dbraw/zinc/51/86/78/1349518678.db2.gz RFFHAJCBRPCUNV-FZMZJTMJSA-N -1 1 340.339 2.429 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2COC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001591622634 1349518684 /nfs/dbraw/zinc/51/86/84/1349518684.db2.gz RFFHAJCBRPCUNV-FZMZJTMJSA-N -1 1 340.339 2.429 20 0 EEADMM CS(C)(=O)=Nc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001591685571 1349528749 /nfs/dbraw/zinc/52/87/49/1349528749.db2.gz VZSLQJNWPDQCCL-UHFFFAOYSA-N -1 1 329.389 2.364 20 0 EEADMM CS(C)(=O)=Nc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001591685571 1349528756 /nfs/dbraw/zinc/52/87/56/1349528756.db2.gz VZSLQJNWPDQCCL-UHFFFAOYSA-N -1 1 329.389 2.364 20 0 EEADMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)cccc1-c1nn[nH]n1 ZINC001591813321 1349537694 /nfs/dbraw/zinc/53/76/94/1349537694.db2.gz YQYCYHDATGAGAM-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1ccc2sc(Cn3cc(C)cc(-c4nn[n-]n4)c3=O)nc2c1 ZINC001592210935 1349610024 /nfs/dbraw/zinc/61/00/24/1349610024.db2.gz WRGNVKLDERSQET-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1nsc(C)c1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001592468268 1349634712 /nfs/dbraw/zinc/63/47/12/1349634712.db2.gz JDHUFNCDQKAUFA-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1nsc(N2CCC[C@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001592474452 1349634811 /nfs/dbraw/zinc/63/48/11/1349634811.db2.gz KOWLCEYGZBMYPF-LBPRGKRZSA-N -1 1 334.449 2.275 20 0 EEADMM Cc1nsc(NC/C=C\CNC(=O)[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592489181 1349636641 /nfs/dbraw/zinc/63/66/41/1349636641.db2.gz LLRXGHVMPCSVBV-OMMCCPJFSA-N -1 1 349.464 2.008 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC12CCSCC2 ZINC001592503216 1349640427 /nfs/dbraw/zinc/64/04/27/1349640427.db2.gz SGLIUMFMURILEK-SNVBAGLBSA-N -1 1 333.417 2.031 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC12CCSCC2 ZINC001592503216 1349640430 /nfs/dbraw/zinc/64/04/30/1349640430.db2.gz SGLIUMFMURILEK-SNVBAGLBSA-N -1 1 333.417 2.031 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cc(-c2ccco2)on1 ZINC001592504156 1349642596 /nfs/dbraw/zinc/64/25/96/1349642596.db2.gz WVFKWMUPLAJPMN-UHFFFAOYSA-N -1 1 341.283 2.373 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cc(-c2ccco2)on1 ZINC001592504156 1349642598 /nfs/dbraw/zinc/64/25/98/1349642598.db2.gz WVFKWMUPLAJPMN-UHFFFAOYSA-N -1 1 341.283 2.373 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001592504700 1349643091 /nfs/dbraw/zinc/64/30/91/1349643091.db2.gz HHMQWIPYLRTUCJ-NWDGAFQWSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H]2C[C@H]21 ZINC001592504700 1349643098 /nfs/dbraw/zinc/64/30/98/1349643098.db2.gz HHMQWIPYLRTUCJ-NWDGAFQWSA-N -1 1 338.371 2.183 20 0 EEADMM Clc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)CCC2 ZINC001592533936 1349650115 /nfs/dbraw/zinc/65/01/15/1349650115.db2.gz WRQFRVQXJXQSAH-LBPRGKRZSA-N -1 1 327.779 2.222 20 0 EEADMM Clc1ccccc1-c1cc(Cn2ccnc2-c2nnn[n-]2)no1 ZINC001592535670 1349650411 /nfs/dbraw/zinc/65/04/11/1349650411.db2.gz LGNXZBNQNFXLNB-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1ccccc1-c1cc(Cn2ccnc2-c2nn[n-]n2)no1 ZINC001592535670 1349650412 /nfs/dbraw/zinc/65/04/12/1349650412.db2.gz LGNXZBNQNFXLNB-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Cn1cc([C@@H](NCc2csc(-c3nn[n-]n3)c2)C(F)(F)F)cn1 ZINC001592567836 1349659737 /nfs/dbraw/zinc/65/97/37/1349659737.db2.gz RUQXHCSQHWLZIY-SNVBAGLBSA-N -1 1 343.338 2.055 20 0 EEADMM Cn1cc(Nc2cncc(-c3nnn[n-]3)n2)c(C2CCCCC2)n1 ZINC001592574374 1349660963 /nfs/dbraw/zinc/66/09/63/1349660963.db2.gz FUCYFQCDHQXTRH-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM Cn1cc(Nc2cncc(-c3nn[n-]n3)n2)c(C2CCCCC2)n1 ZINC001592574374 1349660965 /nfs/dbraw/zinc/66/09/65/1349660965.db2.gz FUCYFQCDHQXTRH-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592584068 1349663598 /nfs/dbraw/zinc/66/35/98/1349663598.db2.gz CWFFLCBUBXFBAY-GFCCVEGCSA-N -1 1 326.360 2.166 20 0 EEADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592584068 1349663601 /nfs/dbraw/zinc/66/36/01/1349663601.db2.gz CWFFLCBUBXFBAY-GFCCVEGCSA-N -1 1 326.360 2.166 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCC=CO2)c1 ZINC001592622753 1349677056 /nfs/dbraw/zinc/67/70/56/1349677056.db2.gz UDXRCSRHUYQJQN-SECBINFHSA-N -1 1 326.282 2.385 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCC=CO2)c1 ZINC001592622753 1349677059 /nfs/dbraw/zinc/67/70/59/1349677059.db2.gz UDXRCSRHUYQJQN-SECBINFHSA-N -1 1 326.282 2.385 20 0 EEADMM F[C@@H]1COc2ccccc2[C@H]1NCc1ccc(-c2nn[n-]n2)s1 ZINC001592632464 1349682490 /nfs/dbraw/zinc/68/24/90/1349682490.db2.gz XNVPTNRTZJNILH-BXUZGUMPSA-N -1 1 331.376 2.490 20 0 EEADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593205448 1349745686 /nfs/dbraw/zinc/74/56/86/1349745686.db2.gz JRUOLMOUQJYONQ-UHFFFAOYSA-N -1 1 327.348 2.483 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001593244301 1349748367 /nfs/dbraw/zinc/74/83/67/1349748367.db2.gz WQYUXVHHUFPHKK-LIRRHRJNSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001593244301 1349748371 /nfs/dbraw/zinc/74/83/71/1349748371.db2.gz WQYUXVHHUFPHKK-LIRRHRJNSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC=CC12CCCCC2 ZINC001593243913 1349748568 /nfs/dbraw/zinc/74/85/68/1349748568.db2.gz RQTIWLKOIVMNCC-UHFFFAOYSA-N -1 1 325.376 2.368 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC=CC12CCCCC2 ZINC001593243913 1349748571 /nfs/dbraw/zinc/74/85/71/1349748571.db2.gz RQTIWLKOIVMNCC-UHFFFAOYSA-N -1 1 325.376 2.368 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cccc(-n2cccc2)c1 ZINC001593301768 1349773881 /nfs/dbraw/zinc/77/38/81/1349773881.db2.gz PBCFJNLOSYQZPB-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cccc(-n2cccc2)c1 ZINC001593301768 1349773888 /nfs/dbraw/zinc/77/38/88/1349773888.db2.gz PBCFJNLOSYQZPB-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2cc(F)ccc21 ZINC001593327994 1349780953 /nfs/dbraw/zinc/78/09/53/1349780953.db2.gz XWBSUXYWUVASMZ-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2cc(F)ccc21 ZINC001593327994 1349780957 /nfs/dbraw/zinc/78/09/57/1349780957.db2.gz XWBSUXYWUVASMZ-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H]1Cc1ccccc1 ZINC001593349885 1349788524 /nfs/dbraw/zinc/78/85/24/1349788524.db2.gz INKLCWNXTJPRPC-CYBMUJFWSA-N -1 1 337.358 2.463 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H]1Cc1ccccc1 ZINC001593349885 1349788527 /nfs/dbraw/zinc/78/85/27/1349788527.db2.gz INKLCWNXTJPRPC-CYBMUJFWSA-N -1 1 337.358 2.463 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001593367524 1349791866 /nfs/dbraw/zinc/79/18/66/1349791866.db2.gz LOSFHYWQQKLFRY-BFHYXJOUSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC001593367524 1349791868 /nfs/dbraw/zinc/79/18/68/1349791868.db2.gz LOSFHYWQQKLFRY-BFHYXJOUSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001593370345 1349792134 /nfs/dbraw/zinc/79/21/34/1349792134.db2.gz XKNNAESUZUDKIC-MRVPVSSYSA-N -1 1 349.363 2.048 20 0 EEADMM O=Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC001593415782 1349799061 /nfs/dbraw/zinc/79/90/61/1349799061.db2.gz PBJISOIYDRMHIX-UHFFFAOYSA-N -1 1 343.730 2.085 20 0 EEADMM O=Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC001593415782 1349799064 /nfs/dbraw/zinc/79/90/64/1349799064.db2.gz PBJISOIYDRMHIX-UHFFFAOYSA-N -1 1 343.730 2.085 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC=C(Cl)Cl)CCCC2 ZINC001593492239 1349818048 /nfs/dbraw/zinc/81/80/48/1349818048.db2.gz MBOFYRMQZOOFSI-UHFFFAOYSA-N -1 1 326.187 2.226 20 0 EEADMM O[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]2CCCC[C@@H]12 ZINC001593518531 1349829230 /nfs/dbraw/zinc/82/92/30/1349829230.db2.gz AXHOAQVGRGHHNA-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@H]1C[C@H](c2ccccc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593518328 1349829989 /nfs/dbraw/zinc/82/99/89/1349829989.db2.gz WJBSCGLGQOILSC-WCQYABFASA-N -1 1 342.790 2.227 20 0 EEADMM O[C@H]1C[C@H](c2ccccc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593518328 1349829994 /nfs/dbraw/zinc/82/99/94/1349829994.db2.gz WJBSCGLGQOILSC-WCQYABFASA-N -1 1 342.790 2.227 20 0 EEADMM c1sc(CN[C@@H](c2ccccn2)C2CCC2)nc1-c1nnn[n-]1 ZINC001593570994 1349855573 /nfs/dbraw/zinc/85/55/73/1349855573.db2.gz NZAPYXVCUAFFEF-CQSZACIVSA-N -1 1 327.417 2.349 20 0 EEADMM c1sc(CN[C@@H](c2ccccn2)C2CCC2)nc1-c1nn[n-]n1 ZINC001593570994 1349855577 /nfs/dbraw/zinc/85/55/77/1349855577.db2.gz NZAPYXVCUAFFEF-CQSZACIVSA-N -1 1 327.417 2.349 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)[C@H]3CCC[C@@H]23)cc1 ZINC001593574250 1349858349 /nfs/dbraw/zinc/85/83/49/1349858349.db2.gz YSJXCYVMJGKIPM-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)[C@H]3CCC[C@@H]23)cc1 ZINC001593574250 1349858353 /nfs/dbraw/zinc/85/83/53/1349858353.db2.gz YSJXCYVMJGKIPM-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM Cc1cc(CN[C@H]2CCN(c3ccc(F)cc3)C2=O)[nH]c1C(=O)[O-] ZINC001600204477 1349992478 /nfs/dbraw/zinc/99/24/78/1349992478.db2.gz FBGSPVSYALHOSK-AWEZNQCLSA-N -1 1 331.347 2.056 20 0 EEADMM Cc1cc(NCc2cc(C(=O)[O-])n(C)c2)ccc1N1CCN(C)CC1 ZINC001600283086 1350010433 /nfs/dbraw/zinc/01/04/33/1350010433.db2.gz SDQMNAKLYJWWLJ-UHFFFAOYSA-N -1 1 342.443 2.396 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC([C@H](C)CO)CC1 ZINC001600353469 1350026990 /nfs/dbraw/zinc/02/69/90/1350026990.db2.gz YGLACTNEYSTTDK-KGLIPLIRSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC001600356639 1350028514 /nfs/dbraw/zinc/02/85/14/1350028514.db2.gz JPBKLPUYWJNOOS-OIISXLGYSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001600371883 1350032562 /nfs/dbraw/zinc/03/25/62/1350032562.db2.gz HONHZRALOZONTC-GJZGRUSLSA-N -1 1 333.432 2.246 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC001600372618 1350033041 /nfs/dbraw/zinc/03/30/41/1350033041.db2.gz HVVSOEAWPZSZDH-DZGCQCFKSA-N -1 1 327.384 2.155 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC001600373411 1350033110 /nfs/dbraw/zinc/03/31/10/1350033110.db2.gz LWZACAUZGNEZDH-CZUORRHYSA-N -1 1 327.384 2.470 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001600448913 1350054282 /nfs/dbraw/zinc/05/42/82/1350054282.db2.gz XQIPTWMKAVUWGY-SFHVURJKSA-N -1 1 345.374 2.447 20 0 EEADMM Cc1ccc(OC(F)F)c([C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001600467054 1350058583 /nfs/dbraw/zinc/05/85/83/1350058583.db2.gz KQTXQWQFEHMHHT-VWYCJHECSA-N -1 1 344.358 2.225 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC001600585712 1350090302 /nfs/dbraw/zinc/09/03/02/1350090302.db2.gz DJFFEJLMLYMUAN-MRXNPFEDSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600585712 1350090308 /nfs/dbraw/zinc/09/03/08/1350090308.db2.gz DJFFEJLMLYMUAN-MRXNPFEDSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600688333 1350116556 /nfs/dbraw/zinc/11/65/56/1350116556.db2.gz QCAVNSNLCVRLFJ-CYBMUJFWSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1nc2c(cccc2C(=O)N(CCC(=O)[O-])Cc2ccncc2)[nH]1 ZINC001600721643 1350121003 /nfs/dbraw/zinc/12/10/03/1350121003.db2.gz VKMMMAQZTPNITP-UHFFFAOYSA-N -1 1 338.367 2.383 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H](O)c2ccccn2)nc1C(=O)[O-] ZINC001600884075 1350159833 /nfs/dbraw/zinc/15/98/33/1350159833.db2.gz YPBVKTHIYSEZDU-STQMWFEESA-N -1 1 333.413 2.415 20 0 EEADMM Cc1sc([C@@H]2CCCN2CCC(=O)NC(C)C)nc1C(=O)[O-] ZINC001600884458 1350159895 /nfs/dbraw/zinc/15/98/95/1350159895.db2.gz LGZFSSHMNIXUII-NSHDSACASA-N -1 1 325.434 2.201 20 0 EEADMM N[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC001601171660 1350224723 /nfs/dbraw/zinc/22/47/23/1350224723.db2.gz HXEQBLPHBSKAIV-ZDUSSCGKSA-N -1 1 342.380 2.475 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@@H](CCO)c2cccs2)cc1 ZINC001601323982 1350257282 /nfs/dbraw/zinc/25/72/82/1350257282.db2.gz PDIIXFSEMCKQCT-ZDUSSCGKSA-N -1 1 334.397 2.098 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001601565687 1350308175 /nfs/dbraw/zinc/30/81/75/1350308175.db2.gz LEEOCTVQWMAJGG-PVAVHDDUSA-N -1 1 341.411 2.181 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2ccc(F)cc2O)s1 ZINC001602003692 1350415996 /nfs/dbraw/zinc/41/59/96/1350415996.db2.gz VXHNVSFNEMPAES-UHFFFAOYSA-N -1 1 325.321 2.042 20 0 EEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C[C@H]1CCCS(=O)(=O)C1 ZINC001602059072 1350429686 /nfs/dbraw/zinc/42/96/86/1350429686.db2.gz GYNXNARZIXCBOE-CYBMUJFWSA-N -1 1 345.848 2.051 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001602144036 1350449782 /nfs/dbraw/zinc/44/97/82/1350449782.db2.gz GNNWVQGWLVEBQZ-UHFFFAOYSA-N -1 1 340.427 2.236 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2cccc(Br)n2)C[C@H]1C1CC1 ZINC001602188612 1350461074 /nfs/dbraw/zinc/46/10/74/1350461074.db2.gz FPXMVPSLDUUTJN-NWDGAFQWSA-N -1 1 325.206 2.387 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(c3nnc4ccccn43)CC2)[nH]1 ZINC001602338054 1350497424 /nfs/dbraw/zinc/49/74/24/1350497424.db2.gz NSDYCJIVRPQCOV-UHFFFAOYSA-N -1 1 325.372 2.135 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC001602406646 1350512534 /nfs/dbraw/zinc/51/25/34/1350512534.db2.gz DGNFJRAHRXDJRY-UONOGXRCSA-N -1 1 342.395 2.407 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cccc3n[nH]cc31)C2 ZINC001602428439 1350517676 /nfs/dbraw/zinc/51/76/76/1350517676.db2.gz RILUZWJJRSBPOG-UHFFFAOYSA-N -1 1 337.335 2.296 20 0 EEADMM O=C([O-])c1cn(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC001602505701 1350533831 /nfs/dbraw/zinc/53/38/31/1350533831.db2.gz VHQQVJDECGPBCM-LLVKDONJSA-N -1 1 340.305 2.442 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC001602628335 1350561294 /nfs/dbraw/zinc/56/12/94/1350561294.db2.gz MHQLQERASGERRS-IBGZPJMESA-N -1 1 335.363 2.431 20 0 EEADMM CC(=O)NC[C@H]1CCCCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001603045808 1350626575 /nfs/dbraw/zinc/62/65/75/1350626575.db2.gz DQBGMOJLKRJADW-CQSZACIVSA-N -1 1 333.432 2.013 20 0 EEADMM CC(C)(C)OC(=O)CCCOC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603085580 1350637028 /nfs/dbraw/zinc/63/70/28/1350637028.db2.gz WCSSBCNNSMARNF-UHFFFAOYSA-N -1 1 338.389 2.207 20 0 EEADMM CC(C)(C)OC(=O)CCCOC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603085580 1350637031 /nfs/dbraw/zinc/63/70/31/1350637031.db2.gz WCSSBCNNSMARNF-UHFFFAOYSA-N -1 1 338.389 2.207 20 0 EEADMM CC(C)C[C@H](CO)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001603265152 1350675255 /nfs/dbraw/zinc/67/52/55/1350675255.db2.gz QXBPPMJWUAWCNC-GFCCVEGCSA-N -1 1 326.404 2.258 20 0 EEADMM CC(C)C[C@H](CO)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001603265152 1350675256 /nfs/dbraw/zinc/67/52/56/1350675256.db2.gz QXBPPMJWUAWCNC-GFCCVEGCSA-N -1 1 326.404 2.258 20 0 EEADMM CC(C)c1ccc(SCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001603399030 1350700954 /nfs/dbraw/zinc/70/09/54/1350700954.db2.gz NGWNRCGPEWKUOW-UHFFFAOYSA-N -1 1 343.416 2.444 20 0 EEADMM CC(C)c1ccc(SCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001603399030 1350700958 /nfs/dbraw/zinc/70/09/58/1350700958.db2.gz NGWNRCGPEWKUOW-UHFFFAOYSA-N -1 1 343.416 2.444 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1cc(C(=O)[O-])no1 ZINC001603414049 1350702276 /nfs/dbraw/zinc/70/22/76/1350702276.db2.gz XOENWOZMQFPKRR-NSHDSACASA-N -1 1 339.392 2.252 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603483519 1350711269 /nfs/dbraw/zinc/71/12/69/1350711269.db2.gz VKNLOUCLHYPILN-LLVKDONJSA-N -1 1 327.344 2.423 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603483519 1350711272 /nfs/dbraw/zinc/71/12/72/1350711272.db2.gz VKNLOUCLHYPILN-LLVKDONJSA-N -1 1 327.344 2.423 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603580087 1350723802 /nfs/dbraw/zinc/72/38/02/1350723802.db2.gz ZMXSAOVYLVXBNL-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603580087 1350723804 /nfs/dbraw/zinc/72/38/04/1350723804.db2.gz ZMXSAOVYLVXBNL-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM CC(C)(CCN1CCOC[C@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC001603599338 1350726804 /nfs/dbraw/zinc/72/68/04/1350726804.db2.gz RBEYBXXBTSNEIA-OLZOCXBDSA-N -1 1 327.446 2.373 20 0 EEADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccc(OC(F)F)c1 ZINC001603685475 1350741735 /nfs/dbraw/zinc/74/17/35/1350741735.db2.gz GXJHCWHAMLOQOP-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccc(OC(F)F)c1 ZINC001603685475 1350741738 /nfs/dbraw/zinc/74/17/38/1350741738.db2.gz GXJHCWHAMLOQOP-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM CC(C)C[C@@H]1CN(C)CCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001603785169 1350767698 /nfs/dbraw/zinc/76/76/98/1350767698.db2.gz YVPYDVDEXKTNLW-OAHLLOKOSA-N -1 1 349.431 2.344 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001603796079 1350770045 /nfs/dbraw/zinc/77/00/45/1350770045.db2.gz UDIQWEFFAHWNIZ-UONOGXRCSA-N -1 1 337.387 2.315 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001603796079 1350770049 /nfs/dbraw/zinc/77/00/49/1350770049.db2.gz UDIQWEFFAHWNIZ-UONOGXRCSA-N -1 1 337.387 2.315 20 0 EEADMM CC(C)Oc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001603943409 1350810031 /nfs/dbraw/zinc/81/00/31/1350810031.db2.gz WTMNHLOBMIKTSX-NLGTXKQRSA-N -1 1 347.411 2.471 20 0 EEADMM C[C@@](CC(=O)[O-])(NCc1cccc2[nH]c(=O)oc21)c1ccncc1 ZINC001604089255 1350853174 /nfs/dbraw/zinc/85/31/74/1350853174.db2.gz DKXKXMZEENPYAJ-KRWDZBQOSA-N -1 1 327.340 2.408 20 0 EEADMM CCO[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CCCC1 ZINC001604394693 1350929188 /nfs/dbraw/zinc/92/91/88/1350929188.db2.gz BGLPBLVFLSQNIY-CYBMUJFWSA-N -1 1 345.407 2.001 20 0 EEADMM CCON(CC1CCCCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604438851 1350937880 /nfs/dbraw/zinc/93/78/80/1350937880.db2.gz ZQKDWFWBQIROBP-UHFFFAOYSA-N -1 1 330.392 2.236 20 0 EEADMM CCON(CC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604438851 1350937882 /nfs/dbraw/zinc/93/78/82/1350937882.db2.gz ZQKDWFWBQIROBP-UHFFFAOYSA-N -1 1 330.392 2.236 20 0 EEADMM CCOc1ccc2c(c1)CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001604464824 1350942783 /nfs/dbraw/zinc/94/27/83/1350942783.db2.gz HIQJAZBSVJAZMN-UHFFFAOYSA-N -1 1 342.428 2.280 20 0 EEADMM CCOc1ccc2c(c1)CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001604464824 1350942784 /nfs/dbraw/zinc/94/27/84/1350942784.db2.gz HIQJAZBSVJAZMN-UHFFFAOYSA-N -1 1 342.428 2.280 20 0 EEADMM CCOc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)nc1C ZINC001604463671 1350943343 /nfs/dbraw/zinc/94/33/43/1350943343.db2.gz PVVFKQMBLLIZQE-UHFFFAOYSA-N -1 1 342.334 2.360 20 0 EEADMM CCOc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)nc1C ZINC001604463671 1350943346 /nfs/dbraw/zinc/94/33/46/1350943346.db2.gz PVVFKQMBLLIZQE-UHFFFAOYSA-N -1 1 342.334 2.360 20 0 EEADMM CCOc1ncccc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001604472259 1350945066 /nfs/dbraw/zinc/94/50/66/1350945066.db2.gz ASAAFUPTVWBVNZ-UHFFFAOYSA-N -1 1 349.354 2.394 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC001604493802 1350949229 /nfs/dbraw/zinc/94/92/29/1350949229.db2.gz NEHXEWPHAJNVOJ-KBXCAEBGSA-N -1 1 349.431 2.313 20 0 EEADMM CCc1nc(Nc2ccc(N(CC)CC)nc2)cc(-c2nnn[n-]2)n1 ZINC001604570010 1350961907 /nfs/dbraw/zinc/96/19/07/1350961907.db2.gz KHGCECLQDOZLOC-UHFFFAOYSA-N -1 1 339.407 2.204 20 0 EEADMM CCc1nc(Nc2ccc(N(CC)CC)nc2)cc(-c2nn[n-]n2)n1 ZINC001604570010 1350961910 /nfs/dbraw/zinc/96/19/10/1350961910.db2.gz KHGCECLQDOZLOC-UHFFFAOYSA-N -1 1 339.407 2.204 20 0 EEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cn(C)nc1Br ZINC001604651841 1350977259 /nfs/dbraw/zinc/97/72/59/1350977259.db2.gz DUCJCVCEMCYRMO-RKDXNWHRSA-N -1 1 330.226 2.256 20 0 EEADMM CN(C)c1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001604704766 1350988764 /nfs/dbraw/zinc/98/87/64/1350988764.db2.gz XQWDUACJPVMSHD-UHFFFAOYSA-N -1 1 326.335 2.324 20 0 EEADMM CN(C)c1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001604704766 1350988767 /nfs/dbraw/zinc/98/87/67/1350988767.db2.gz XQWDUACJPVMSHD-UHFFFAOYSA-N -1 1 326.335 2.324 20 0 EEADMM CN(CC1CCCCC1)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001604729049 1350992941 /nfs/dbraw/zinc/99/29/41/1350992941.db2.gz MHWUSQRCKLWZDL-UHFFFAOYSA-N -1 1 346.460 2.393 20 0 EEADMM CN(CC1CCCCC1)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001604729049 1350992942 /nfs/dbraw/zinc/99/29/42/1350992942.db2.gz MHWUSQRCKLWZDL-UHFFFAOYSA-N -1 1 346.460 2.393 20 0 EEADMM CC[C@@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1cc(O)cc(F)c1 ZINC001604888844 1351025365 /nfs/dbraw/zinc/02/53/65/1351025365.db2.gz HBBJUKXRYUNQPB-HNNXBMFYSA-N -1 1 345.392 2.185 20 0 EEADMM COC(=O)c1coc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001604990055 1351047651 /nfs/dbraw/zinc/04/76/51/1351047651.db2.gz GKVJYEAVVUNXTQ-SSDOTTSWSA-N -1 1 348.340 2.226 20 0 EEADMM COC(=O)c1coc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001604990055 1351047652 /nfs/dbraw/zinc/04/76/52/1351047652.db2.gz GKVJYEAVVUNXTQ-SSDOTTSWSA-N -1 1 348.340 2.226 20 0 EEADMM CCC(F)(F)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001605064858 1351070236 /nfs/dbraw/zinc/07/02/36/1351070236.db2.gz GSLXZYAXKCDRLT-MRXNPFEDSA-N -1 1 340.370 2.267 20 0 EEADMM COc1cccc2cc(CNCc3nc(-c4nnn[n-]4)cs3)oc21 ZINC001605325130 1351137742 /nfs/dbraw/zinc/13/77/42/1351137742.db2.gz KDLVIQQFWKGXTO-UHFFFAOYSA-N -1 1 342.384 2.368 20 0 EEADMM COc1cccc2cc(CNCc3nc(-c4nn[n-]n4)cs3)oc21 ZINC001605325130 1351137746 /nfs/dbraw/zinc/13/77/46/1351137746.db2.gz KDLVIQQFWKGXTO-UHFFFAOYSA-N -1 1 342.384 2.368 20 0 EEADMM CSCC[C@H](C)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001605376516 1351148306 /nfs/dbraw/zinc/14/83/06/1351148306.db2.gz LGIMHECWLHHHCD-QMMMGPOBSA-N -1 1 341.387 2.359 20 0 EEADMM CSCC[C@H](C)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001605376516 1351148308 /nfs/dbraw/zinc/14/83/08/1351148308.db2.gz LGIMHECWLHHHCD-QMMMGPOBSA-N -1 1 341.387 2.359 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(Cc2ccc(O)cc2)CC2CC2)n1 ZINC001605558404 1351190029 /nfs/dbraw/zinc/19/00/29/1351190029.db2.gz SNQKJECPVQDBPC-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(Cc2ccc(O)cc2)CC2CC2)n1 ZINC001605558404 1351190032 /nfs/dbraw/zinc/19/00/32/1351190032.db2.gz SNQKJECPVQDBPC-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](Cc2ccccc2)c2ncco2)n1 ZINC001605568935 1351191791 /nfs/dbraw/zinc/19/17/91/1351191791.db2.gz XGEFSMJWGSOXTM-AWEZNQCLSA-N -1 1 348.370 2.349 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](Cc2ccccc2)c2ncco2)n1 ZINC001605568935 1351191794 /nfs/dbraw/zinc/19/17/94/1351191794.db2.gz XGEFSMJWGSOXTM-AWEZNQCLSA-N -1 1 348.370 2.349 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2c(F)cccc2Cl)n1 ZINC001605580765 1351193837 /nfs/dbraw/zinc/19/38/37/1351193837.db2.gz MHYUEAABMPJXHR-UHFFFAOYSA-N -1 1 333.758 2.412 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2c(F)cccc2Cl)n1 ZINC001605580765 1351193840 /nfs/dbraw/zinc/19/38/40/1351193840.db2.gz MHYUEAABMPJXHR-UHFFFAOYSA-N -1 1 333.758 2.412 20 0 EEADMM Cc1ccc(C)c(NC(=O)COc2ccc(F)nc2-c2nn[n-]n2)c1 ZINC001605832871 1351231737 /nfs/dbraw/zinc/23/17/37/1351231737.db2.gz HWMUWNQETQKYNQ-UHFFFAOYSA-N -1 1 342.334 2.035 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001605842013 1351233626 /nfs/dbraw/zinc/23/36/26/1351233626.db2.gz OJGJCNOIWMFEME-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001605842013 1351233629 /nfs/dbraw/zinc/23/36/29/1351233629.db2.gz OJGJCNOIWMFEME-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001605842563 1351234011 /nfs/dbraw/zinc/23/40/11/1351234011.db2.gz WOPBBCZPOCGYKP-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001605842563 1351234012 /nfs/dbraw/zinc/23/40/12/1351234012.db2.gz WOPBBCZPOCGYKP-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(N2CCC[C@@H](CC(=O)OC(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605865362 1351241501 /nfs/dbraw/zinc/24/15/01/1351241501.db2.gz WCEUKBGROZUTDA-ZDUSSCGKSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CCC[C@@H](CC(=O)OC(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605865362 1351241502 /nfs/dbraw/zinc/24/15/02/1351241502.db2.gz WCEUKBGROZUTDA-ZDUSSCGKSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cccc(CO[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001605914597 1351253013 /nfs/dbraw/zinc/25/30/13/1351253013.db2.gz PWMRXSNLSHGLPE-GFCCVEGCSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1cccc(CO[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001605914597 1351253017 /nfs/dbraw/zinc/25/30/17/1351253017.db2.gz PWMRXSNLSHGLPE-GFCCVEGCSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605936245 1351256179 /nfs/dbraw/zinc/25/61/79/1351256179.db2.gz KFWCKNUYZJOJQX-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605936245 1351256183 /nfs/dbraw/zinc/25/61/83/1351256183.db2.gz KFWCKNUYZJOJQX-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1nc(C)c(CCOC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001606039114 1351265432 /nfs/dbraw/zinc/26/54/32/1351265432.db2.gz VXSODWDPTBXIKR-UHFFFAOYSA-N -1 1 333.373 2.241 20 0 EEADMM Cc1nc(C)c(CCOC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001606039114 1351265434 /nfs/dbraw/zinc/26/54/34/1351265434.db2.gz VXSODWDPTBXIKR-UHFFFAOYSA-N -1 1 333.373 2.241 20 0 EEADMM Cc1nc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc(-c2nnn[n-]2)n1 ZINC001606062454 1351267536 /nfs/dbraw/zinc/26/75/36/1351267536.db2.gz AGHMASBDFTXFCR-NILFDRSVSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1nc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc(-c2nn[n-]n2)n1 ZINC001606062454 1351267539 /nfs/dbraw/zinc/26/75/39/1351267539.db2.gz AGHMASBDFTXFCR-NILFDRSVSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC001606165912 1351280180 /nfs/dbraw/zinc/28/01/80/1351280180.db2.gz LVBAJAARHBJZDR-ZDUSSCGKSA-N -1 1 339.355 2.062 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC001606165912 1351280185 /nfs/dbraw/zinc/28/01/85/1351280185.db2.gz LVBAJAARHBJZDR-ZDUSSCGKSA-N -1 1 339.355 2.062 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC001606180077 1351282664 /nfs/dbraw/zinc/28/26/64/1351282664.db2.gz YBNMJPYQYLUGKK-QWRGUYRKSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001606180077 1351282667 /nfs/dbraw/zinc/28/26/67/1351282667.db2.gz YBNMJPYQYLUGKK-QWRGUYRKSA-N -1 1 332.408 2.037 20 0 EEADMM Clc1sc(N2CCOC[C@@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC001606200783 1351284815 /nfs/dbraw/zinc/28/48/15/1351284815.db2.gz FYRWJZAGPJCRAW-SSDOTTSWSA-N -1 1 338.780 2.148 20 0 EEADMM CNC(=O)C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001606267333 1351288000 /nfs/dbraw/zinc/28/80/00/1351288000.db2.gz AGRGWFAEQNQBND-KRWDZBQOSA-N -1 1 342.395 2.117 20 0 EEADMM NC(=O)[C@H](Cc1ccccc1)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001606402188 1351300995 /nfs/dbraw/zinc/30/09/95/1351300995.db2.gz QVTXJYCVBUXUEJ-ZDUSSCGKSA-N -1 1 343.387 2.195 20 0 EEADMM O=C(CC(F)(F)C(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606488692 1351310843 /nfs/dbraw/zinc/31/08/43/1351310843.db2.gz ROWANUPYUWJGTF-UHFFFAOYSA-N -1 1 344.681 2.206 20 0 EEADMM O=C(CSc1cccc(F)c1-c1nn[n-]n1)NCc1ccco1 ZINC001606585311 1351326445 /nfs/dbraw/zinc/32/64/45/1351326445.db2.gz YKUBYWDGBYZBEG-UHFFFAOYSA-N -1 1 333.348 2.007 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1ccn(-c2ccc(F)cc2F)n1 ZINC001606785206 1351356306 /nfs/dbraw/zinc/35/63/06/1351356306.db2.gz IABHFSFLPZXLRI-MRXNPFEDSA-N -1 1 339.342 2.120 20 0 EEADMM O=C(Nc1c(F)cccc1-n1cccn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606893218 1351370657 /nfs/dbraw/zinc/37/06/57/1351370657.db2.gz LKRZIHQEBIMDNN-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(Nc1ccc(-c2ccon2)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606905299 1351373496 /nfs/dbraw/zinc/37/34/96/1351373496.db2.gz XXHWWEUNABXJFI-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccc(-c2ccon2)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606905299 1351373500 /nfs/dbraw/zinc/37/35/00/1351373500.db2.gz XXHWWEUNABXJFI-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@]12CCO[C@H]1CCCC2 ZINC001606978979 1351390769 /nfs/dbraw/zinc/39/07/69/1351390769.db2.gz KSDFJVJUWQVSTO-WFASDCNBSA-N -1 1 334.401 2.321 20 0 EEADMM O=C(c1ccc2c(c1)CCC2)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001607019303 1351399110 /nfs/dbraw/zinc/39/91/10/1351399110.db2.gz BDFFLDFTNRACRR-UHFFFAOYSA-N -1 1 346.394 2.343 20 0 EEADMM O=C(c1ccc2c(c1)CCC2)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001607019303 1351399115 /nfs/dbraw/zinc/39/91/15/1351399115.db2.gz BDFFLDFTNRACRR-UHFFFAOYSA-N -1 1 346.394 2.343 20 0 EEADMM c1cnc2c(c1)CC[C@@H](Nc1n[nH]c(C3CC3)c1-c1nnn[n-]1)CC2 ZINC001607136085 1351435311 /nfs/dbraw/zinc/43/53/11/1351435311.db2.gz MVODAUNEHWJHPK-GFCCVEGCSA-N -1 1 336.403 2.222 20 0 EEADMM c1cnc2c(c1)CC[C@@H](Nc1n[nH]c(C3CC3)c1-c1nn[n-]n1)CC2 ZINC001607136085 1351435313 /nfs/dbraw/zinc/43/53/13/1351435313.db2.gz MVODAUNEHWJHPK-GFCCVEGCSA-N -1 1 336.403 2.222 20 0 EEADMM COc1cc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1C(=O)[O-] ZINC001607176990 1351443393 /nfs/dbraw/zinc/44/33/93/1351443393.db2.gz WXCMFDDMNPXBFE-GFCCVEGCSA-N -1 1 330.344 2.316 20 0 EEADMM COc1nsc(CN2CCC(c3c[nH]nc3C)CC2)c1C(=O)[O-] ZINC001607363346 1351482950 /nfs/dbraw/zinc/48/29/50/1351482950.db2.gz PROJLGPODDUYGE-UHFFFAOYSA-N -1 1 336.417 2.261 20 0 EEADMM C[C@@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C(=O)[O-] ZINC001607437686 1351494612 /nfs/dbraw/zinc/49/46/12/1351494612.db2.gz YPCXQJCXPQUXSA-JQEORGNBSA-N -1 1 346.196 2.274 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCN(C)[C@@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001607486258 1351502744 /nfs/dbraw/zinc/50/27/44/1351502744.db2.gz PPYUYHWFVZNOQV-CQSZACIVSA-N -1 1 335.448 2.175 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)o1 ZINC001607609592 1351524356 /nfs/dbraw/zinc/52/43/56/1351524356.db2.gz OYORSQMPVQWNBR-DGCLKSJQSA-N -1 1 337.420 2.148 20 0 EEADMM Cc1cc(C)cc([C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-])c1 ZINC001607626236 1351528228 /nfs/dbraw/zinc/52/82/28/1351528228.db2.gz VTTYRIBLQCIDDQ-LBPRGKRZSA-N -1 1 332.322 2.087 20 0 EEADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)c(Br)c1 ZINC001607779418 1351556989 /nfs/dbraw/zinc/55/69/89/1351556989.db2.gz GMLRDXZZDCAZJF-NEPJUHHUSA-N -1 1 328.206 2.025 20 0 EEADMM COc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)nn1C ZINC001625377386 1352447579 /nfs/dbraw/zinc/44/75/79/1352447579.db2.gz QQWXOQPHJQUKIU-UHFFFAOYSA-N -1 1 327.344 2.085 20 0 EEADMM Cc1ccc(CSc2nc([N-]C(=O)c3cc(CO)on3)n[nH]2)cc1 ZINC001640571653 1352711774 /nfs/dbraw/zinc/71/17/74/1352711774.db2.gz AOIGKVFNKMASFO-UHFFFAOYSA-N -1 1 345.384 2.138 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(C2CC2)nn1C ZINC001647462742 1353286899 /nfs/dbraw/zinc/28/68/99/1353286899.db2.gz AGKVPLHDLARSEE-UHFFFAOYSA-N -1 1 329.404 2.155 20 0 EEADMM CC(C)CN1CCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001647593102 1353339539 /nfs/dbraw/zinc/33/95/39/1353339539.db2.gz XLOVOIZGTLMWNR-AWEZNQCLSA-N -1 1 330.388 2.089 20 0 EEADMM O=C([O-])C[C@@H](CNCc1ncc(Br)cc1F)C(F)F ZINC001649931933 1353654505 /nfs/dbraw/zinc/65/45/05/1353654505.db2.gz IQKLGDXDTCYALE-LURJTMIESA-N -1 1 341.127 2.429 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1nccnc1C1CC1 ZINC001196721368 1368606829 /nfs/dbraw/zinc/60/68/29/1368606829.db2.gz JHDQWTWJPSSCTJ-UHFFFAOYSA-N -1 1 338.414 2.039 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CC2)c1ccc2nccnc2c1 ZINC001198155196 1368625693 /nfs/dbraw/zinc/62/56/93/1368625693.db2.gz IOKHTONSYFTXOT-QGZVFWFLSA-N -1 1 341.392 2.410 20 0 EEADMM CCC(C)(CC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001488130723 1368742927 /nfs/dbraw/zinc/74/29/27/1368742927.db2.gz WHEBAOIXFBQHLI-STQMWFEESA-N -1 1 333.432 2.333 20 0 EEADMM O=S(=O)([N-][C@@H]1CCCOC1)c1c(F)cccc1Br ZINC001201019920 1368772356 /nfs/dbraw/zinc/77/23/56/1368772356.db2.gz XEIYUPKSWCGKNT-MRVPVSSYSA-N -1 1 338.198 2.046 20 0 EEADMM C[C@@H]1CCN(Cc2noc(C(C)(C)C)n2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757362 1369299066 /nfs/dbraw/zinc/29/90/66/1369299066.db2.gz CVKRUURWECXSIM-ZJUUUORDSA-N -1 1 348.369 2.256 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)c1F ZINC000859122017 1369430194 /nfs/dbraw/zinc/43/01/94/1369430194.db2.gz FOLMNUIFGZMATK-WPRPVWTQSA-N -1 1 333.356 2.218 20 0 EEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(N2CCOCC2)CC1 ZINC000862214682 1369524658 /nfs/dbraw/zinc/52/46/58/1369524658.db2.gz ZWCKTHNHMASQEB-UHFFFAOYSA-N -1 1 347.440 2.053 20 0 EEADMM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000119484139 1369564134 /nfs/dbraw/zinc/56/41/34/1369564134.db2.gz ODMKCYFFMNUIIQ-LBPRGKRZSA-N -1 1 345.342 2.424 20 0 EEADMM Cc1cc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])sc1C ZINC001389329652 1388050919 /nfs/dbraw/zinc/05/09/19/1388050919.db2.gz RXWVSXSFKFJKLL-JTQLQIEISA-N -1 1 333.413 2.014 20 0 EEADMM CCCC[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000780631595 1371168779 /nfs/dbraw/zinc/16/87/79/1371168779.db2.gz DJVDTDIVDLNFMH-OAHLLOKOSA-N -1 1 339.411 2.200 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)CCOC ZINC000783080023 1371345793 /nfs/dbraw/zinc/34/57/93/1371345793.db2.gz LSPDBQTVUUTDOR-GFCCVEGCSA-N -1 1 329.418 2.420 20 0 EEADMM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1c[nH]nc1Cl ZINC000830151223 1372314889 /nfs/dbraw/zinc/31/48/89/1372314889.db2.gz SVLPQXFRIUBMPM-UHFFFAOYSA-N -1 1 340.836 2.142 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000830841261 1372353154 /nfs/dbraw/zinc/35/31/54/1372353154.db2.gz PDDSMIGCLZVBGP-INIZCTEOSA-N -1 1 340.345 2.458 20 0 EEADMM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140990725 1372731380 /nfs/dbraw/zinc/73/13/80/1372731380.db2.gz OOJSYNRFSNZHRS-UHFFFAOYSA-N -1 1 337.326 2.059 20 0 EEADMM C[C@@H](OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)C(=O)N(C)C ZINC000838087513 1372821210 /nfs/dbraw/zinc/82/12/10/1372821210.db2.gz RUZJUUHKKQDLFI-GFCCVEGCSA-N -1 1 344.367 2.005 20 0 EEADMM CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000849201231 1373248863 /nfs/dbraw/zinc/24/88/63/1373248863.db2.gz IWMNJJDUZVUFMF-NSHDSACASA-N -1 1 329.805 2.166 20 0 EEADMM NC(=O)c1ccc(CN(C(=O)c2ccc(F)c([O-])c2)C2CC2)cc1 ZINC001361586319 1373312130 /nfs/dbraw/zinc/31/21/30/1373312130.db2.gz CUJKKBLCJHLWBS-UHFFFAOYSA-N -1 1 328.343 2.435 20 0 EEADMM CCC(CC)(NC(=O)Cc1nc(C(C)C)c(C)s1)c1nn[n-]n1 ZINC001362497404 1373422328 /nfs/dbraw/zinc/42/23/28/1373422328.db2.gz QPNAAAJMVDTWJZ-UHFFFAOYSA-N -1 1 336.465 2.462 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCN(C)c3ccccc3C2)c1 ZINC001363770129 1373552545 /nfs/dbraw/zinc/55/25/45/1373552545.db2.gz MKZJOVIWZDQLHK-UHFFFAOYSA-N -1 1 348.424 2.042 20 0 EEADMM CC(C)[C@H](CNC(=O)CCC1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001367497119 1374184744 /nfs/dbraw/zinc/18/47/44/1374184744.db2.gz NAOPRYRYOBOMCV-AWEZNQCLSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)c1occc1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001369548854 1374565965 /nfs/dbraw/zinc/56/59/65/1374565965.db2.gz DBAHYKHPBYYIAS-LBPRGKRZSA-N -1 1 349.435 2.161 20 0 EEADMM CCN(C(=O)[C@H]1CC12CCCC2)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001371339705 1375392736 /nfs/dbraw/zinc/39/27/36/1375392736.db2.gz CJIUOOSLERMJMP-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001374378117 1376749337 /nfs/dbraw/zinc/74/93/37/1376749337.db2.gz ZBSCAAVJVIOEHC-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CCCc1ccc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001377954616 1379594520 /nfs/dbraw/zinc/59/45/20/1379594520.db2.gz QZRQBXIHDAQUOI-ZDUSSCGKSA-N -1 1 341.411 2.288 20 0 EEADMM CCCC(CCC)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001379153418 1380591210 /nfs/dbraw/zinc/59/12/10/1380591210.db2.gz DDHDAAKFVLSVQK-HUUCEWRRSA-N -1 1 349.479 2.150 20 0 EEADMM CC(C)CCC(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001381243836 1381572728 /nfs/dbraw/zinc/57/27/28/1381572728.db2.gz XADSUUJEDLLMRM-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM CCC[C@H](C)C(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001383429827 1382490483 /nfs/dbraw/zinc/49/04/83/1382490483.db2.gz SVOYEFCNNABTRP-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)CCc1ccoc1)NC(=O)c1ncccc1[O-] ZINC001383589363 1382580289 /nfs/dbraw/zinc/58/02/89/1382580289.db2.gz XXMKNTSQEPYNSL-QWHCGFSZSA-N -1 1 345.399 2.026 20 0 EEADMM CCc1ccsc1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001383723396 1382688412 /nfs/dbraw/zinc/68/84/12/1382688412.db2.gz AEFMKJFQPJPAHH-NSHDSACASA-N -1 1 347.440 2.302 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001384547905 1384681972 /nfs/dbraw/zinc/68/19/72/1384681972.db2.gz JVSCQZSLKZWLOD-KBPBESRZSA-N -1 1 345.443 2.144 20 0 EEADMM CCCC1(C(=O)N2C[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@@H]3C2)CC1 ZINC001384709749 1385248872 /nfs/dbraw/zinc/24/88/72/1385248872.db2.gz UWHNMVMDYQJANJ-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CCCC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001384877974 1385297301 /nfs/dbraw/zinc/29/73/01/1385297301.db2.gz BZRZTCKQGMGGNA-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CCC1 ZINC001391587273 1389455887 /nfs/dbraw/zinc/45/58/87/1389455887.db2.gz VDPSHNCBKDHAJF-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1ccc(CCC(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001392291767 1389955784 /nfs/dbraw/zinc/95/57/84/1389955784.db2.gz BUOIFJKHPHNJDN-LLVKDONJSA-N -1 1 347.440 2.024 20 0 EEADMM CCC(CC)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397009134 1391002497 /nfs/dbraw/zinc/00/24/97/1391002497.db2.gz DZWABMLNAWOHFB-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cccc(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)c1 ZINC001398311079 1392162518 /nfs/dbraw/zinc/16/25/18/1392162518.db2.gz KGVMXUBWKAQLSR-UHFFFAOYSA-N -1 1 339.395 2.130 20 0 EEADMM Cc1occc1C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001399462166 1395120643 /nfs/dbraw/zinc/12/06/43/1395120643.db2.gz CVARHIWTFOQMGU-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)CC1CCC1 ZINC001400056846 1395866851 /nfs/dbraw/zinc/86/68/51/1395866851.db2.gz QALOVDZIPLZDQB-LLVKDONJSA-N -1 1 348.447 2.039 20 0 EEADMM CC[C@H](CNC(=O)C(C)(C)C1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001400839914 1396646038 /nfs/dbraw/zinc/64/60/38/1396646038.db2.gz AUGYVOHYBWSSSD-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001400929601 1396737375 /nfs/dbraw/zinc/73/73/75/1396737375.db2.gz MKZVQWXEUADMBX-AWEZNQCLSA-N -1 1 345.447 2.106 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)cc1C ZINC001423715716 1400765551 /nfs/dbraw/zinc/76/55/51/1400765551.db2.gz JAEZFFJSMAQTSC-UWVGGRQHSA-N -1 1 329.418 2.478 20 0 EEADMM C[C@@H](CNC(=O)C(C)(C)C1CCC1)N(C)C(=O)c1ncccc1[O-] ZINC001424221144 1400977910 /nfs/dbraw/zinc/97/79/10/1400977910.db2.gz WMSNYWRZLYPAGK-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CNC(=O)CCCC(F)(F)F)N(C)C(=O)c1ncccc1[O-] ZINC001424311983 1401048960 /nfs/dbraw/zinc/04/89/60/1401048960.db2.gz NLGSWGUBFQYXDT-JTQLQIEISA-N -1 1 347.337 2.097 20 0 EEADMM Cc1ccc(F)c(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])c1 ZINC001426855223 1402229071 /nfs/dbraw/zinc/22/90/71/1402229071.db2.gz GTUPBWYBKHNBPW-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CCC(CC)C(=O)N(C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001427473150 1402435050 /nfs/dbraw/zinc/43/50/50/1402435050.db2.gz RMQQIKIUZZRDJQ-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM CC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001431937841 1403162142 /nfs/dbraw/zinc/16/21/42/1403162142.db2.gz OSVMXVYVWBLITJ-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001432733631 1403283636 /nfs/dbraw/zinc/28/36/36/1403283636.db2.gz RKGABOLUNGTCIQ-FZKQIMNGSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC001573902713 1403517806 /nfs/dbraw/zinc/51/78/06/1403517806.db2.gz UDWXSIBMIISQKZ-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC001573902713 1403517808 /nfs/dbraw/zinc/51/78/08/1403517808.db2.gz UDWXSIBMIISQKZ-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC001576972119 1403617090 /nfs/dbraw/zinc/61/70/90/1403617090.db2.gz AKDRIOWLQOTPOO-ZDUSSCGKSA-N -1 1 344.419 2.364 20 0 EEADMM CCOc1ccc(Oc2ccc(C(=O)OC)nc2-c2nn[n-]n2)cc1 ZINC001578397875 1403746795 /nfs/dbraw/zinc/74/67/95/1403746795.db2.gz BNXBXDSUOMYIFO-UHFFFAOYSA-N -1 1 341.327 2.239 20 0 EEADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579229773 1403779655 /nfs/dbraw/zinc/77/96/55/1403779655.db2.gz DFPSMXWBHPIOIG-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579229773 1403779662 /nfs/dbraw/zinc/77/96/62/1403779662.db2.gz DFPSMXWBHPIOIG-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1F ZINC001579484115 1403784485 /nfs/dbraw/zinc/78/44/85/1403784485.db2.gz VUIQBISQXKTNCU-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1F ZINC001579484115 1403784491 /nfs/dbraw/zinc/78/44/91/1403784491.db2.gz VUIQBISQXKTNCU-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COc1cc(C)c([S@@](C)=O)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC001579916269 1403797899 /nfs/dbraw/zinc/79/78/99/1403797899.db2.gz HHOGBHRRHVMNJP-XMMPIXPASA-N -1 1 345.384 2.108 20 0 EEADMM COc1cc(C)c([S@@](C)=O)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC001579916269 1403797905 /nfs/dbraw/zinc/79/79/05/1403797905.db2.gz HHOGBHRRHVMNJP-XMMPIXPASA-N -1 1 345.384 2.108 20 0 EEADMM COc1ncc(NC(=O)c2cccc(Cl)c2F)cc1-c1nn[n-]n1 ZINC001580140227 1403834084 /nfs/dbraw/zinc/83/40/84/1403834084.db2.gz XMCQJVADGSESQX-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM CS[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001580174419 1403841393 /nfs/dbraw/zinc/84/13/93/1403841393.db2.gz FHDKNHLRWPTEMD-LBPRGKRZSA-N -1 1 346.441 2.044 20 0 EEADMM CS[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001580174419 1403841401 /nfs/dbraw/zinc/84/14/01/1403841401.db2.gz FHDKNHLRWPTEMD-LBPRGKRZSA-N -1 1 346.441 2.044 20 0 EEADMM C[C@@]12CSC[C@@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001591760238 1403943254 /nfs/dbraw/zinc/94/32/54/1403943254.db2.gz JIVPFKQHGHMMMF-UPONEAKYSA-N -1 1 328.854 2.166 20 0 EEADMM C[C@@]12CSC[C@@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001591760238 1403943262 /nfs/dbraw/zinc/94/32/62/1403943262.db2.gz JIVPFKQHGHMMMF-UPONEAKYSA-N -1 1 328.854 2.166 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001591759576 1403943599 /nfs/dbraw/zinc/94/35/99/1403943599.db2.gz DRVGJUQFAGQOPL-MRVPVSSYSA-N -1 1 340.309 2.129 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001591759576 1403943605 /nfs/dbraw/zinc/94/36/05/1403943605.db2.gz DRVGJUQFAGQOPL-MRVPVSSYSA-N -1 1 340.309 2.129 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(c3cccc(F)c3)CC2)n1 ZINC001591895042 1403969548 /nfs/dbraw/zinc/96/95/48/1403969548.db2.gz OCAGPOWVDAEXCW-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(c3cccc(F)c3)CC2)n1 ZINC001591895042 1403969553 /nfs/dbraw/zinc/96/95/53/1403969553.db2.gz OCAGPOWVDAEXCW-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1cc(N2CCc3ccc(F)c(F)c3C2)cc(-c2nnn[n-]2)n1 ZINC001592009754 1403982768 /nfs/dbraw/zinc/98/27/68/1403982768.db2.gz QHRORTCJIHNYQN-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1cc(N2CCc3ccc(F)c(F)c3C2)cc(-c2nn[n-]n2)n1 ZINC001592009754 1403982773 /nfs/dbraw/zinc/98/27/73/1403982773.db2.gz QHRORTCJIHNYQN-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ncc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)s1 ZINC001592411747 1404030867 /nfs/dbraw/zinc/03/08/67/1404030867.db2.gz KIROIFWLVQLSJJ-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1noc(C2CC2)c1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001592460355 1404695865 /nfs/dbraw/zinc/69/58/65/1404695865.db2.gz CGKXKWQOQLYUIU-UHFFFAOYSA-N -1 1 331.361 2.058 20 0 EEADMM Cc1noc(C2CC2)c1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001592460355 1404695880 /nfs/dbraw/zinc/69/58/80/1404695880.db2.gz CGKXKWQOQLYUIU-UHFFFAOYSA-N -1 1 331.361 2.058 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592480762 1404701994 /nfs/dbraw/zinc/70/19/94/1404701994.db2.gz UHHZQTSOZPPNKC-SNVBAGLBSA-N -1 1 333.421 2.286 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592480762 1404701998 /nfs/dbraw/zinc/70/19/98/1404701998.db2.gz UHHZQTSOZPPNKC-SNVBAGLBSA-N -1 1 333.421 2.286 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001592499583 1404702861 /nfs/dbraw/zinc/70/28/61/1404702861.db2.gz PKIJYCLSOUQKRH-CABZTGNLSA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001592499583 1404702867 /nfs/dbraw/zinc/70/28/67/1404702867.db2.gz PKIJYCLSOUQKRH-CABZTGNLSA-N -1 1 345.309 2.332 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1CC1CCC1 ZINC001592913257 1404728783 /nfs/dbraw/zinc/72/87/83/1404728783.db2.gz AHSQYPPCVWOKID-OAHLLOKOSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1CC1CCC1 ZINC001592913257 1404728789 /nfs/dbraw/zinc/72/87/89/1404728789.db2.gz AHSQYPPCVWOKID-OAHLLOKOSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001593044462 1404739815 /nfs/dbraw/zinc/73/98/15/1404739815.db2.gz JQGGSUHHNFNQBQ-NSHDSACASA-N -1 1 325.397 2.388 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605699381 1404750142 /nfs/dbraw/zinc/75/01/42/1404750142.db2.gz DZCWADUFYPLUCO-AWEZNQCLSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605699381 1404750145 /nfs/dbraw/zinc/75/01/45/1404750145.db2.gz DZCWADUFYPLUCO-AWEZNQCLSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CCO[C@](C)(c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700516 1404750247 /nfs/dbraw/zinc/75/02/47/1404750247.db2.gz UOZNYCAUDVWAEH-SFHVURJKSA-N -1 1 336.399 2.322 20 0 EEADMM Cc1cc(N2CCO[C@](C)(c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700516 1404750249 /nfs/dbraw/zinc/75/02/49/1404750249.db2.gz UOZNYCAUDVWAEH-SFHVURJKSA-N -1 1 336.399 2.322 20 0 EEADMM CCc1[nH]c(CN2CCC[C@@H](Cc3nc(C)no3)C2)cc1C(=O)[O-] ZINC001605771592 1404753537 /nfs/dbraw/zinc/75/35/37/1404753537.db2.gz FFRUPUFDDKNROQ-LBPRGKRZSA-N -1 1 332.404 2.421 20 0 EEADMM Cc1nsc(N2CCC3(C2)Oc2ccccc2O3)c1-c1nn[n-]n1 ZINC001606145127 1404767641 /nfs/dbraw/zinc/76/76/41/1404767641.db2.gz WVJGVEVBCXVQEX-UHFFFAOYSA-N -1 1 342.384 2.009 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H](C)[C@H]1C ZINC001606171251 1404773029 /nfs/dbraw/zinc/77/30/29/1404773029.db2.gz YSCPMOQXVACCHJ-VHSXEESVSA-N -1 1 326.360 2.039 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H](C)[C@H]1C ZINC001606171251 1404773033 /nfs/dbraw/zinc/77/30/33/1404773033.db2.gz YSCPMOQXVACCHJ-VHSXEESVSA-N -1 1 326.360 2.039 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001606195819 1404776726 /nfs/dbraw/zinc/77/67/26/1404776726.db2.gz MXIPPDZIZDFQOZ-WCQGTBRESA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001606195819 1404776731 /nfs/dbraw/zinc/77/67/31/1404776731.db2.gz MXIPPDZIZDFQOZ-WCQGTBRESA-N -1 1 325.763 2.060 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CCC2 ZINC001606311046 1404785502 /nfs/dbraw/zinc/78/55/02/1404785502.db2.gz GYEZIALZXCVWIR-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CCC2 ZINC001606311046 1404785510 /nfs/dbraw/zinc/78/55/10/1404785510.db2.gz GYEZIALZXCVWIR-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1noc(C)n1 ZINC000124363478 1404927644 /nfs/dbraw/zinc/92/76/44/1404927644.db2.gz CWUPCNFKVBSQQZ-NSHDSACASA-N -1 1 340.792 2.333 20 0 EEADMM CCC[C@H](N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000185047034 1406053295 /nfs/dbraw/zinc/05/32/95/1406053295.db2.gz XCDHACRKKOALNY-LRDDRELGSA-N -1 1 331.416 2.058 20 0 EEADMM CCc1nc(C)c(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027844538 773436771 /nfs/dbraw/zinc/43/67/71/773436771.db2.gz URAHFYBDQNICAB-ZDUSSCGKSA-N -1 1 344.415 2.040 20 0 EEADMM Cc1nnc([C@@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000801555161 775230938 /nfs/dbraw/zinc/23/09/38/775230938.db2.gz FNCLRAAHUVHXBT-MRVPVSSYSA-N -1 1 336.383 2.298 20 0 EEADMM O=C([N-]NC(=O)c1ccccc1O)c1ccc(F)c(Cl)c1F ZINC000181072974 775298538 /nfs/dbraw/zinc/29/85/38/775298538.db2.gz HTDHUCRTDAVISL-UHFFFAOYSA-N -1 1 326.686 2.399 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981213381 776809467 /nfs/dbraw/zinc/80/94/67/776809467.db2.gz XTNGXCUHUNYNIA-MJBXVCDLSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(C)CCCCC1 ZINC000939876241 777579984 /nfs/dbraw/zinc/57/99/84/777579984.db2.gz ZLFBQGZJSOSCLQ-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000921498672 778120593 /nfs/dbraw/zinc/12/05/93/778120593.db2.gz KMPOJQUAEPHENQ-WKEGUHRASA-N -1 1 328.192 2.446 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C/C=C\Cl)CC2(C)C)c1[O-] ZINC000940664731 779084594 /nfs/dbraw/zinc/08/45/94/779084594.db2.gz NBSAXOHXLGIYST-VLWUPBBWSA-N -1 1 326.828 2.007 20 0 EEADMM CC(C)C(=O)N1CC2(C[C@H]1C)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982232405 779338451 /nfs/dbraw/zinc/33/84/51/779338451.db2.gz MNMWLXHOOOUOBF-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CCC=CCCC1 ZINC000941268805 780263592 /nfs/dbraw/zinc/26/35/92/780263592.db2.gz AVCFCJPJXSEYAU-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C)C(C(=O)N2CCCCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)C1(C)C ZINC001088288875 783379760 /nfs/dbraw/zinc/37/97/60/783379760.db2.gz DUEKPRZPMUJHFD-GFCCVEGCSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000809825338 783425067 /nfs/dbraw/zinc/42/50/67/783425067.db2.gz DEAXMBKQGNJRKJ-LBPRGKRZSA-N -1 1 349.412 2.290 20 0 EEADMM Cc1cc(CN[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)no1 ZINC001088301854 783429303 /nfs/dbraw/zinc/42/93/03/783429303.db2.gz KLXZFVJSWHCLPU-CQSZACIVSA-N -1 1 344.415 2.258 20 0 EEADMM Cc1ccc(-c2noc(CCCOC(=O)c3cn[n-]n3)n2)cc1F ZINC000805603077 783583342 /nfs/dbraw/zinc/58/33/42/783583342.db2.gz GCCKQLFEHWCPQL-UHFFFAOYSA-N -1 1 331.307 2.092 20 0 EEADMM C[C@H](CC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001035075020 783724047 /nfs/dbraw/zinc/72/40/47/783724047.db2.gz IYBOPQDDBPAZPQ-UKRRQHHQSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1cc(N[C@H](C)C2CCN(C(=O)c3ncccc3[O-])CC2)ncn1 ZINC001061839721 783747042 /nfs/dbraw/zinc/74/70/42/783747042.db2.gz HAMIULZITWWIBR-CYBMUJFWSA-N -1 1 341.415 2.238 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C1(F)CCCC1 ZINC000945284469 783765287 /nfs/dbraw/zinc/76/52/87/783765287.db2.gz OXUCSMWLIZJATC-QWHCGFSZSA-N -1 1 349.406 2.036 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000906987435 784302579 /nfs/dbraw/zinc/30/25/79/784302579.db2.gz KYKONDPOFFZRCV-AWEZNQCLSA-N -1 1 337.397 2.044 20 0 EEADMM CC(C)(C)OC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000816866487 784304487 /nfs/dbraw/zinc/30/44/87/784304487.db2.gz PNAQDFBWGJQLMW-CYBMUJFWSA-N -1 1 347.415 2.307 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945581350 784391962 /nfs/dbraw/zinc/39/19/62/784391962.db2.gz UNSFDXXIEQAHCQ-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000945619242 784523122 /nfs/dbraw/zinc/52/31/22/784523122.db2.gz TWEYHQPDKOCXQY-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](NC(=O)c1ccoc1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945623884 784533810 /nfs/dbraw/zinc/53/38/10/784533810.db2.gz RUAOBNLZPVZRFA-CHWSQXEVSA-N -1 1 343.383 2.051 20 0 EEADMM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479354 784685715 /nfs/dbraw/zinc/68/57/15/784685715.db2.gz CPKDVGDUNQAVCJ-XQQFMLRXSA-N -1 1 349.847 2.273 20 0 EEADMM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1cnccn1)C(F)(F)F ZINC000817417969 784769404 /nfs/dbraw/zinc/76/94/04/784769404.db2.gz XIZSURYCUISPPJ-CYBMUJFWSA-N -1 1 336.317 2.086 20 0 EEADMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cnc(C2CC2)[n-]c1=O ZINC000907769660 784851305 /nfs/dbraw/zinc/85/13/05/784851305.db2.gz CURONBXGBXJMQG-ZDUSSCGKSA-N -1 1 325.368 2.053 20 0 EEADMM COCC[C@]1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCOC1 ZINC000907788813 784867016 /nfs/dbraw/zinc/86/70/16/784867016.db2.gz FREAMIFWJHQUOT-SFHVURJKSA-N -1 1 331.368 2.176 20 0 EEADMM CC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000946326832 791073721 /nfs/dbraw/zinc/07/37/21/791073721.db2.gz DLRBUZCWUBLSRO-ZIAGYGMSSA-N -1 1 348.447 2.039 20 0 EEADMM O=C(C[N@@H+]1CCC[C@H](C(=O)[O-])C1)N[C@@H]1CCSc2ccccc21 ZINC000908700397 785655500 /nfs/dbraw/zinc/65/55/00/785655500.db2.gz UXXBCEZTYLUWLK-GXTWGEPZSA-N -1 1 334.441 2.136 20 0 EEADMM O=C(CN1CCC[C@H](C(=O)[O-])C1)N[C@@H]1CCSc2ccccc21 ZINC000908700397 785655504 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/nfs/dbraw/zinc/45/34/34/471453434.db2.gz LGCRODAXFRHJSI-SJORKVTESA-N -1 1 333.395 2.210 20 0 EEADMM COc1cc(C)c(C)cc1[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656633629 471792997 /nfs/dbraw/zinc/79/29/97/471792997.db2.gz KOYDBWMVTARUCO-CJNGLKHVSA-N -1 1 343.445 2.105 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCc2ccccc2[C@H]1C(C)C ZINC000667967798 471966711 /nfs/dbraw/zinc/96/67/11/471966711.db2.gz BOYYBNZPUYRPGS-CQSZACIVSA-N -1 1 343.383 2.292 20 0 EEADMM CCOc1ccc(C[C@@H](C)C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000665822084 472203680 /nfs/dbraw/zinc/20/36/80/472203680.db2.gz OYXWQRCYDUOHNC-CHWSQXEVSA-N -1 1 331.420 2.039 20 0 EEADMM C[C@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)N1CCc2ccccc2C1 ZINC000663095397 472354734 /nfs/dbraw/zinc/35/47/34/472354734.db2.gz LKMOKHVFNVRLBR-YJYMSZOUSA-N -1 1 330.428 2.050 20 0 EEADMM COc1nc(C)cc(C)c1CNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000673836085 485549443 /nfs/dbraw/zinc/54/94/43/485549443.db2.gz KSNDFZCWAICQAW-UHFFFAOYSA-N -1 1 348.428 2.163 20 0 EEADMM CSc1ccccc1CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000679124050 485593968 /nfs/dbraw/zinc/59/39/68/485593968.db2.gz ZCHSFXJFFRKZAK-INIZCTEOSA-N -1 1 339.424 2.370 20 0 EEADMM O=C(NCc1nn[n-]n1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000674092934 485635089 /nfs/dbraw/zinc/63/50/89/485635089.db2.gz XRKWGKSOLGXMBV-UHFFFAOYSA-N -1 1 326.187 2.245 20 0 EEADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](O)C(F)(F)F ZINC000670855383 485723515 /nfs/dbraw/zinc/72/35/15/485723515.db2.gz RTNFMFWGPOCAGW-QWRGUYRKSA-N -1 1 347.305 2.191 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1C[C@H]1C1CC1 ZINC000681126175 486146974 /nfs/dbraw/zinc/14/69/74/486146974.db2.gz UFRZBVQSWGDIMT-OPQQBVKSSA-N -1 1 335.770 2.244 20 0 EEADMM COc1cccc2c1OCC[C@H]2NC(=O)C(=O)c1ccc([O-])cc1 ZINC000672836503 486210157 /nfs/dbraw/zinc/21/01/57/486210157.db2.gz FNNIBBCHGPHYHK-CQSZACIVSA-N -1 1 327.336 2.224 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c1 ZINC000678110011 486573984 /nfs/dbraw/zinc/57/39/84/486573984.db2.gz AKIVEBQUJXEVSF-UHFFFAOYSA-N -1 1 344.396 2.385 20 0 EEADMM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000123201065 490636299 /nfs/dbraw/zinc/63/62/99/490636299.db2.gz HFJAUEXXZKHVAT-UHFFFAOYSA-N -1 1 348.322 2.067 20 0 EEADMM CC(C)(C)OC(=O)NCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000495393755 534875365 /nfs/dbraw/zinc/87/53/65/534875365.db2.gz UODULUCBLHIVFQ-UHFFFAOYSA-N -1 1 349.313 2.067 20 0 EEADMM CCC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(N)=O ZINC000451545328 535706242 /nfs/dbraw/zinc/70/62/42/535706242.db2.gz NVRLQIRJFPDGAM-VIFPVBQESA-N -1 1 346.861 2.487 20 0 EEADMM Cc1[nH]c(C(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738152797 578001513 /nfs/dbraw/zinc/00/15/13/578001513.db2.gz HUBKBWXQWYRSHG-SMDDNHRTSA-N -1 1 333.432 2.071 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000738169342 578002311 /nfs/dbraw/zinc/00/23/11/578002311.db2.gz WPGLFHJCHLZPGU-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738179563 578002618 /nfs/dbraw/zinc/00/26/18/578002618.db2.gz WKGULOMEJSFIBQ-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738179563 578002617 /nfs/dbraw/zinc/00/26/17/578002617.db2.gz WKGULOMEJSFIBQ-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236871 578005533 /nfs/dbraw/zinc/00/55/33/578005533.db2.gz TVGNVFIKQOTHFM-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236871 578005534 /nfs/dbraw/zinc/00/55/34/578005534.db2.gz TVGNVFIKQOTHFM-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(Oc1ccccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738246114 578005903 /nfs/dbraw/zinc/00/59/03/578005903.db2.gz AZZQMGZUVKRNCJ-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738246114 578005904 /nfs/dbraw/zinc/00/59/04/578005904.db2.gz AZZQMGZUVKRNCJ-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM Cn1cc([C@@H](NCC(=O)Nc2cccc(C(=O)[O-])c2)C(C)(C)C)cn1 ZINC000739028460 576030908 /nfs/dbraw/zinc/03/09/08/576030908.db2.gz WQUNNUAMZZWRRA-MRXNPFEDSA-N -1 1 344.415 2.434 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2cccc(C)c2)cc1 ZINC000726831511 576303291 /nfs/dbraw/zinc/30/32/91/576303291.db2.gz VYGDZPMMOXZMNQ-UHFFFAOYSA-N -1 1 341.363 2.046 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)/C=C\c3cccs3)nc2n1 ZINC000726863501 576305429 /nfs/dbraw/zinc/30/54/29/576305429.db2.gz FKMCOHNWCAJIAA-SREVYHEPSA-N -1 1 329.385 2.084 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000738387877 576363236 /nfs/dbraw/zinc/36/32/36/576363236.db2.gz QAEDQYZOQBCIIX-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000738387877 576363237 /nfs/dbraw/zinc/36/32/37/576363237.db2.gz QAEDQYZOQBCIIX-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM O=C(c1cccc(Cl)c1Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773156056 577319488 /nfs/dbraw/zinc/31/94/88/577319488.db2.gz YJZNHZPWJCUNRP-SECBINFHSA-N -1 1 344.227 2.437 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000774048335 577379961 /nfs/dbraw/zinc/37/99/61/577379961.db2.gz ORJAFVUVEGXYLT-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000774048335 577379962 /nfs/dbraw/zinc/37/99/62/577379962.db2.gz ORJAFVUVEGXYLT-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774061545 577380794 /nfs/dbraw/zinc/38/07/94/577380794.db2.gz AOHXKPQRYMIRQF-LLVKDONJSA-N -1 1 342.424 2.475 20 0 EEADMM COc1cc(CN(C)C(=O)c2ccc3n[n-]c(=S)n3c2)ccc1O ZINC000774363691 577396791 /nfs/dbraw/zinc/39/67/91/577396791.db2.gz OZJQRMWGZWAMSY-UHFFFAOYSA-N -1 1 344.396 2.004 20 0 EEADMM CCOc1ccccc1N1C[C@@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000774874213 577421602 /nfs/dbraw/zinc/42/16/02/577421602.db2.gz BGKAWQNSLPUZES-ZDUSSCGKSA-N -1 1 332.400 2.429 20 0 EEADMM O=C([N-]CCCOC(=O)[C@H]1CCOc2ccccc21)C(F)(F)F ZINC000774944200 577424209 /nfs/dbraw/zinc/42/42/09/577424209.db2.gz OUKGORJXJQLTHN-NSHDSACASA-N -1 1 331.290 2.165 20 0 EEADMM CC(=O)c1cccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000767447317 577537241 /nfs/dbraw/zinc/53/72/41/577537241.db2.gz XZIIKOFGLSZADE-UHFFFAOYSA-N -1 1 325.320 2.003 20 0 EEADMM O=C([N-]N1CCc2ccccc2C1=O)c1cc(-c2cccs2)[nH]n1 ZINC000770548095 577598553 /nfs/dbraw/zinc/59/85/53/577598553.db2.gz BOVKNMIPBZSUOX-UHFFFAOYSA-N -1 1 338.392 2.482 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(Cl)n1 ZINC000760325706 577660744 /nfs/dbraw/zinc/66/07/44/577660744.db2.gz RALMJEQCUODNMB-UHFFFAOYSA-N -1 1 338.776 2.421 20 0 EEADMM Cc1onc(-c2ccccn2)c1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000762644813 577705152 /nfs/dbraw/zinc/70/51/52/577705152.db2.gz IINATSXGRYOAOR-UHFFFAOYSA-N -1 1 348.362 2.388 20 0 EEADMM CC(C)[C@H](CNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000763077363 577714454 /nfs/dbraw/zinc/71/44/54/577714454.db2.gz CCQMZYVSSRKBFY-NWDGAFQWSA-N -1 1 332.322 2.178 20 0 EEADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc2n[nH]nc2cc1F ZINC000753983666 577797879 /nfs/dbraw/zinc/79/78/79/577797879.db2.gz YFVSCVXWZGMQJB-UHFFFAOYSA-N -1 1 341.331 2.263 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C2\CC[C@H](C)C2)cc1 ZINC000754197739 577802197 /nfs/dbraw/zinc/80/21/97/577802197.db2.gz YPILKQDEUZIAQC-CVCOIXHCSA-N -1 1 331.368 2.241 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(N)=O)s2)c1 ZINC000744898653 577905029 /nfs/dbraw/zinc/90/50/29/577905029.db2.gz LZKRNIGJRMJJTE-UHFFFAOYSA-N -1 1 333.365 2.155 20 0 EEADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCCCCC1 ZINC000739285635 578046934 /nfs/dbraw/zinc/04/69/34/578046934.db2.gz ILCXZFVPTOARFG-QGZVFWFLSA-N -1 1 343.427 2.156 20 0 EEADMM O=C([O-])NCc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000739987671 578076639 /nfs/dbraw/zinc/07/66/39/578076639.db2.gz DXKKPQKMEQJOCW-HNNXBMFYSA-N -1 1 332.404 2.156 20 0 EEADMM O=C([O-])Nc1ccc(CNC(=O)CN2CC[C@@H](c3ccco3)C2)cc1 ZINC000740024807 578077782 /nfs/dbraw/zinc/07/77/82/578077782.db2.gz KYMWGYQNWJGMLJ-CQSZACIVSA-N -1 1 343.383 2.475 20 0 EEADMM O=S(=O)([N-]CC1(CO)CCCC1)c1c(Cl)ccnc1Cl ZINC000770287859 578152889 /nfs/dbraw/zinc/15/28/89/578152889.db2.gz UQUDSCCSPFBQTK-UHFFFAOYSA-N -1 1 339.244 2.219 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000736120479 578181831 /nfs/dbraw/zinc/18/18/31/578181831.db2.gz XJNSCLDOPZNYTH-ZETCQYMHSA-N -1 1 334.792 2.468 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000736120479 578181832 /nfs/dbraw/zinc/18/18/32/578181832.db2.gz XJNSCLDOPZNYTH-ZETCQYMHSA-N -1 1 334.792 2.468 20 0 EEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736135596 578182530 /nfs/dbraw/zinc/18/25/30/578182530.db2.gz CETVCHYBQALCKZ-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736135596 578182531 /nfs/dbraw/zinc/18/25/31/578182531.db2.gz CETVCHYBQALCKZ-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000736158015 578183663 /nfs/dbraw/zinc/18/36/63/578183663.db2.gz NWXBXVFNFPHCAT-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000736158015 578183664 /nfs/dbraw/zinc/18/36/64/578183664.db2.gz NWXBXVFNFPHCAT-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM CSCC[C@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000736259460 578191497 /nfs/dbraw/zinc/19/14/97/578191497.db2.gz HOMNXEDUURTJCK-NSHDSACASA-N -1 1 346.456 2.353 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276021 578192946 /nfs/dbraw/zinc/19/29/46/578192946.db2.gz XXERTFICUIWTPS-BXUZGUMPSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276021 578192947 /nfs/dbraw/zinc/19/29/47/578192947.db2.gz XXERTFICUIWTPS-BXUZGUMPSA-N -1 1 331.376 2.014 20 0 EEADMM CCC(CC)c1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736352010 578198396 /nfs/dbraw/zinc/19/83/96/578198396.db2.gz UKILJKLWFVFYAE-UHFFFAOYSA-N -1 1 344.404 2.269 20 0 EEADMM CCC(CC)c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736352010 578198397 /nfs/dbraw/zinc/19/83/97/578198397.db2.gz UKILJKLWFVFYAE-UHFFFAOYSA-N -1 1 344.404 2.269 20 0 EEADMM CCCCc1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000736467040 578205999 /nfs/dbraw/zinc/20/59/99/578205999.db2.gz RIDNDMQQMQOBSM-UHFFFAOYSA-N -1 1 344.400 2.418 20 0 EEADMM CCCCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000736467040 578206000 /nfs/dbraw/zinc/20/60/00/578206000.db2.gz RIDNDMQQMQOBSM-UHFFFAOYSA-N -1 1 344.400 2.418 20 0 EEADMM CC(C)c1nc(CN(C)[C@H]2CCN(Cc3occc3C(=O)[O-])C2)no1 ZINC000736526528 578210304 /nfs/dbraw/zinc/21/03/04/578210304.db2.gz XUCUABGNDQIGRM-LBPRGKRZSA-N -1 1 348.403 2.191 20 0 EEADMM CCOCc1cccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000736626513 578215490 /nfs/dbraw/zinc/21/54/90/578215490.db2.gz QZQWXFQXMAUYFC-UHFFFAOYSA-N -1 1 330.392 2.148 20 0 EEADMM C[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000736795180 578224081 /nfs/dbraw/zinc/22/40/81/578224081.db2.gz SVTWVBZZUVIUPS-KFWWJZLASA-N -1 1 337.464 2.003 20 0 EEADMM CN(CCCOc1ccc(Cl)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736796865 578224227 /nfs/dbraw/zinc/22/42/27/578224227.db2.gz CMLMKJCKNCAQOO-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCCOc1ccc(Cl)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736796865 578224228 /nfs/dbraw/zinc/22/42/28/578224228.db2.gz CMLMKJCKNCAQOO-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCOc1ccccc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736802222 578224609 /nfs/dbraw/zinc/22/46/09/578224609.db2.gz OSNHQUNKLACVMC-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM CN(CCOc1ccccc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736802222 578224610 /nfs/dbraw/zinc/22/46/10/578224610.db2.gz OSNHQUNKLACVMC-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736818846 578225582 /nfs/dbraw/zinc/22/55/82/578225582.db2.gz CLUPUUCKFMCCCE-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736818846 578225583 /nfs/dbraw/zinc/22/55/83/578225583.db2.gz CLUPUUCKFMCCCE-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM COCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736977210 578232031 /nfs/dbraw/zinc/23/20/31/578232031.db2.gz VTEMHIXQRYCDPJ-UHFFFAOYSA-N -1 1 343.412 2.248 20 0 EEADMM COc1cc(CN(C)c2nccnc2-c2nnn[n-]2)ccc1SC ZINC000737045211 578234921 /nfs/dbraw/zinc/23/49/21/578234921.db2.gz GMAZIKLDSJCFSH-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM COc1cc(CN(C)c2nccnc2-c2nn[n-]n2)ccc1SC ZINC000737045211 578234922 /nfs/dbraw/zinc/23/49/22/578234922.db2.gz GMAZIKLDSJCFSH-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM COc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737153596 578241272 /nfs/dbraw/zinc/24/12/72/578241272.db2.gz UEBLMWYEMQIMRA-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737153596 578241273 /nfs/dbraw/zinc/24/12/73/578241273.db2.gz UEBLMWYEMQIMRA-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CS(=O)(=O)c1cccc(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737172917 578241951 /nfs/dbraw/zinc/24/19/51/578241951.db2.gz LSNCUKQXWIUIJI-UHFFFAOYSA-N -1 1 334.332 2.202 20 0 EEADMM CS(=O)(=O)c1cccc(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737172917 578241952 /nfs/dbraw/zinc/24/19/52/578241952.db2.gz LSNCUKQXWIUIJI-UHFFFAOYSA-N -1 1 334.332 2.202 20 0 EEADMM CCOc1ccc([C@@H]2CCCN2C(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000737194551 578243199 /nfs/dbraw/zinc/24/31/99/578243199.db2.gz FCKWFWZKVLTDHS-HNNXBMFYSA-N -1 1 334.416 2.202 20 0 EEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737346461 578251701 /nfs/dbraw/zinc/25/17/01/578251701.db2.gz FZMGQAFNAWIUGM-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ncc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000737490917 578260725 /nfs/dbraw/zinc/26/07/25/578260725.db2.gz BFJLZJMIKAQJEE-UHFFFAOYSA-N -1 1 338.400 2.211 20 0 EEADMM Cc1ncc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000737490917 578260726 /nfs/dbraw/zinc/26/07/26/578260726.db2.gz BFJLZJMIKAQJEE-UHFFFAOYSA-N -1 1 338.400 2.211 20 0 EEADMM CN1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737523695 578262529 /nfs/dbraw/zinc/26/25/29/578262529.db2.gz UMQHJVGPSIYKBG-QZTJIDSGSA-N -1 1 340.423 2.294 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1C[C@H]1C ZINC000737546202 578263362 /nfs/dbraw/zinc/26/33/62/578263362.db2.gz AJOWAPUXMBHVMN-MWLCHTKSSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1C[C@H]1C ZINC000737546202 578263363 /nfs/dbraw/zinc/26/33/63/578263363.db2.gz AJOWAPUXMBHVMN-MWLCHTKSSA-N -1 1 327.344 2.372 20 0 EEADMM O=C(CCc1cc(Cl)cs1)N1CCC(c2nn[n-]n2)CC1 ZINC000737853207 578271199 /nfs/dbraw/zinc/27/11/99/578271199.db2.gz QLPCCPNRHXSWLS-UHFFFAOYSA-N -1 1 325.825 2.253 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737953843 578274330 /nfs/dbraw/zinc/27/43/30/578274330.db2.gz DFSXHCBYCRTKQG-KRWDZBQOSA-N -1 1 349.394 2.009 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280443 599092049 /nfs/dbraw/zinc/09/20/49/599092049.db2.gz GIPCANWCTMMHAW-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280443 599092052 /nfs/dbraw/zinc/09/20/52/599092052.db2.gz GIPCANWCTMMHAW-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM Cc1ccccc1[C@@H]1CC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000818958933 597044938 /nfs/dbraw/zinc/04/49/38/597044938.db2.gz QIDBGUYBEKAVHV-JKSUJKDBSA-N -1 1 330.428 2.455 20 0 EEADMM CCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1CO ZINC000821422069 607313103 /nfs/dbraw/zinc/31/31/03/607313103.db2.gz LNVIQIKXPDHLBS-UHFFFAOYSA-N -1 1 331.401 2.431 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCCC(=O)[O-] ZINC000820986085 598164920 /nfs/dbraw/zinc/16/49/20/598164920.db2.gz HGCYAFXSTCDQSC-UHFFFAOYSA-N -1 1 348.447 2.123 20 0 EEADMM O=C([O-])c1cccc(CN[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000821551314 598192982 /nfs/dbraw/zinc/19/29/82/598192982.db2.gz CRZNCVKOTTVYNF-OAHLLOKOSA-N -1 1 328.343 2.419 20 0 EEADMM O=C([O-])c1cccc(CNCCS(=O)(=O)Cc2ccccc2)c1 ZINC000821552361 598203010 /nfs/dbraw/zinc/20/30/10/598203010.db2.gz KMJPPQJSEMZSPU-UHFFFAOYSA-N -1 1 333.409 2.089 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCc2sccc21 ZINC000823436343 607359182 /nfs/dbraw/zinc/35/91/82/607359182.db2.gz QPRFSFGLFVCTQH-LBPRGKRZSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCc2sccc21 ZINC000823436343 607359183 /nfs/dbraw/zinc/35/91/83/607359183.db2.gz QPRFSFGLFVCTQH-LBPRGKRZSA-N -1 1 341.396 2.487 20 0 EEADMM Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822541354 607364815 /nfs/dbraw/zinc/36/48/15/607364815.db2.gz NNPRCDSMRQYHGO-JTQLQIEISA-N -1 1 344.375 2.301 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823802440 599505400 /nfs/dbraw/zinc/50/54/00/599505400.db2.gz OFIILTNOTLKFFN-INIZCTEOSA-N -1 1 330.351 2.382 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823802440 599505403 /nfs/dbraw/zinc/50/54/03/599505403.db2.gz OFIILTNOTLKFFN-INIZCTEOSA-N -1 1 330.351 2.382 20 0 EEADMM CO[C@@]1(C)C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678506 599688304 /nfs/dbraw/zinc/68/83/04/599688304.db2.gz OQLTYYARUFIYMF-SJCJKPOMSA-N -1 1 339.403 2.425 20 0 EEADMM CO[C@@]1(C)C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678506 599688305 /nfs/dbraw/zinc/68/83/05/599688305.db2.gz OQLTYYARUFIYMF-SJCJKPOMSA-N -1 1 339.403 2.425 20 0 EEADMM CCc1cnc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000830299255 600985533 /nfs/dbraw/zinc/98/55/33/600985533.db2.gz MPMLAOQZTRTYLE-UHFFFAOYSA-N -1 1 342.398 2.213 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000827369090 601124024 /nfs/dbraw/zinc/12/40/24/601124024.db2.gz NTCXTLVRZZETKE-JTQLQIEISA-N -1 1 343.786 2.492 20 0 EEADMM COC(=O)c1ccc(N2CCN(C/C=C(/C)C(=O)[O-])[C@@H](C)C2)cc1 ZINC000831391454 601161832 /nfs/dbraw/zinc/16/18/32/601161832.db2.gz ZGDIDQNJTBLANY-MQJVFOOVSA-N -1 1 332.400 2.015 20 0 EEADMM Cn1nccc1C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000833060846 601400987 /nfs/dbraw/zinc/40/09/87/601400987.db2.gz HNYYDODPGQVSAI-UHFFFAOYSA-N -1 1 339.399 2.305 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000831583921 601490639 /nfs/dbraw/zinc/49/06/39/601490639.db2.gz BALBIBNDDPFUOH-LJQANCHMSA-N -1 1 343.427 2.330 20 0 EEADMM C[C@H]1CN(Cc2ccc(I)cc2)C[C@@H]1C(=O)[O-] ZINC000088174985 601520589 /nfs/dbraw/zinc/52/05/89/601520589.db2.gz XGCWJHSQHBPYIW-CABZTGNLSA-N -1 1 345.180 2.444 20 0 EEADMM C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C(=O)[O-] ZINC000828455657 601536879 /nfs/dbraw/zinc/53/68/79/601536879.db2.gz DSDPDQNRBVFTBK-WCBMZHEXSA-N -1 1 342.189 2.330 20 0 EEADMM O=C([O-])[C@]1(NC(=O)[C@@H]2CCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128221 601734732 /nfs/dbraw/zinc/73/47/32/601734732.db2.gz BHIXITBIWRDCPU-YJBOKZPZSA-N -1 1 348.468 2.118 20 0 EEADMM CCCCC[C@H](NC(=O)CSc1n[nH]c(=S)s1)C(=O)[O-] ZINC000829320546 601746912 /nfs/dbraw/zinc/74/69/12/601746912.db2.gz BQJYKXYQUALVSV-ZETCQYMHSA-N -1 1 335.476 2.069 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826027386 601935360 /nfs/dbraw/zinc/93/53/60/601935360.db2.gz WHNANVUZUZSHRW-QFYYESIMSA-N -1 1 333.413 2.420 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820934180 602058585 /nfs/dbraw/zinc/05/85/85/602058585.db2.gz JQLHFJVAPMEYNA-UHFFFAOYSA-N -1 1 327.262 2.365 20 0 EEADMM COCCOc1ccc(F)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826162878 607550293 /nfs/dbraw/zinc/55/02/93/607550293.db2.gz WNMGHFWSWFYQNZ-UHFFFAOYSA-N -1 1 344.350 2.038 20 0 EEADMM COCCOc1ccc(F)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826162878 607550295 /nfs/dbraw/zinc/55/02/95/607550295.db2.gz WNMGHFWSWFYQNZ-UHFFFAOYSA-N -1 1 344.350 2.038 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1C ZINC000826300458 607575907 /nfs/dbraw/zinc/57/59/07/607575907.db2.gz VVIUAUJWXNFWFR-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1C ZINC000826300458 607575909 /nfs/dbraw/zinc/57/59/09/607575909.db2.gz VVIUAUJWXNFWFR-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CCC(C)(C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044774 607618415 /nfs/dbraw/zinc/61/84/15/607618415.db2.gz UIWHFUTYUGZWNZ-UHFFFAOYSA-N -1 1 343.840 2.329 20 0 EEADMM CCC(C)(C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044774 607618417 /nfs/dbraw/zinc/61/84/17/607618417.db2.gz UIWHFUTYUGZWNZ-UHFFFAOYSA-N -1 1 343.840 2.329 20 0 EEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(C(=O)[O-])cs2)[nH]n1 ZINC000833012825 604314542 /nfs/dbraw/zinc/31/45/42/604314542.db2.gz HJWPHEHXSZBBPU-UHFFFAOYSA-N -1 1 345.384 2.439 20 0 EEADMM CC(C)c1ncncc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833511823 604501560 /nfs/dbraw/zinc/50/15/60/604501560.db2.gz HXAUKIXFRYHYNP-UHFFFAOYSA-N -1 1 325.328 2.427 20 0 EEADMM CN(C)C(=O)c1ccc(CN(CCC(=O)[O-])Cc2ccccc2)[nH]1 ZINC000833687528 604542358 /nfs/dbraw/zinc/54/23/58/604542358.db2.gz SJPQORRFGBMSJW-UHFFFAOYSA-N -1 1 329.400 2.193 20 0 EEADMM CC(C)CC(C)(C)CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833474624 605054311 /nfs/dbraw/zinc/05/43/11/605054311.db2.gz RIYSZKMRDOMZME-CQSZACIVSA-N -1 1 327.469 2.249 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000833618507 605155253 /nfs/dbraw/zinc/15/52/53/605155253.db2.gz BRBUYGKSEVJYPI-OAHLLOKOSA-N -1 1 330.428 2.017 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c2ccccc2n1 ZINC000833742151 605163614 /nfs/dbraw/zinc/16/36/14/605163614.db2.gz GFTJGAMLGMMTRF-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(OC)ccc2C(=O)[O-])C[C@H]1C ZINC000833659198 605166010 /nfs/dbraw/zinc/16/60/10/605166010.db2.gz ZCZXZWAVBSFGBN-NEPJUHHUSA-N -1 1 335.404 2.340 20 0 EEADMM C[C@@H]1CN(C(=O)CCCN(C)C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833618594 605171951 /nfs/dbraw/zinc/17/19/51/605171951.db2.gz PBXRTVGNUXDOOB-CVEARBPZSA-N -1 1 347.459 2.498 20 0 EEADMM C[C@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CCN1CCC(=O)[O-] ZINC000833618133 605277054 /nfs/dbraw/zinc/27/70/54/605277054.db2.gz LASDUTSQHJZXLO-UCRBLCQZSA-N -1 1 334.460 2.066 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833477373 605698734 /nfs/dbraw/zinc/69/87/34/605698734.db2.gz HJKZQAHHXWXLQZ-WBVHZDCISA-N -1 1 348.443 2.003 20 0 EEADMM CN(C)c1nc(CNc2snc(Cl)c2-c2nnn[n-]2)cs1 ZINC000821590715 606142395 /nfs/dbraw/zinc/14/23/95/606142395.db2.gz CBVHDXHYRDYQFQ-UHFFFAOYSA-N -1 1 342.841 2.111 20 0 EEADMM CN(C)c1nc(CNc2snc(Cl)c2-c2nn[n-]n2)cs1 ZINC000821590715 606142397 /nfs/dbraw/zinc/14/23/97/606142397.db2.gz CBVHDXHYRDYQFQ-UHFFFAOYSA-N -1 1 342.841 2.111 20 0 EEADMM COCCn1nc(C)c(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1C ZINC000821695002 606200847 /nfs/dbraw/zinc/20/08/47/606200847.db2.gz DKHCEZCKHVFMAT-UHFFFAOYSA-N -1 1 348.798 2.118 20 0 EEADMM COCCn1nc(C)c(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1C ZINC000821695002 606200848 /nfs/dbraw/zinc/20/08/48/606200848.db2.gz DKHCEZCKHVFMAT-UHFFFAOYSA-N -1 1 348.798 2.118 20 0 EEADMM CN(C)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1F ZINC000821589282 606296091 /nfs/dbraw/zinc/29/60/91/606296091.db2.gz GUEBSTRGEBQNGT-UHFFFAOYSA-N -1 1 342.334 2.030 20 0 EEADMM Cc1ccsc1[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822380166 606425967 /nfs/dbraw/zinc/42/59/67/606425967.db2.gz ZJPLITCQDPWHLZ-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccsc1[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822380166 606425968 /nfs/dbraw/zinc/42/59/68/606425968.db2.gz ZJPLITCQDPWHLZ-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3nn[nH]n3)cs2)n1 ZINC000819971747 606505150 /nfs/dbraw/zinc/50/51/50/606505150.db2.gz SEGHWYSIWFAPCO-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM CC(C)Oc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000820155288 606511196 /nfs/dbraw/zinc/51/11/96/606511196.db2.gz NGNAPVPOAFXQHS-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000820155288 606511198 /nfs/dbraw/zinc/51/11/98/606511198.db2.gz NGNAPVPOAFXQHS-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM C[C@@H](COc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820292786 606515113 /nfs/dbraw/zinc/51/51/13/606515113.db2.gz GZDNNWXZJZWYPO-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](COc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820292786 606515116 /nfs/dbraw/zinc/51/51/16/606515116.db2.gz GZDNNWXZJZWYPO-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM CC(C)Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000820137096 606584619 /nfs/dbraw/zinc/58/46/19/606584619.db2.gz FBWOLCJGGOOITL-UHFFFAOYSA-N -1 1 339.359 2.040 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)CO2 ZINC000822274864 606936653 /nfs/dbraw/zinc/93/66/53/606936653.db2.gz KXHAWVXHRSYVNY-JTQLQIEISA-N -1 1 327.369 2.100 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)CO2 ZINC000822274864 606936654 /nfs/dbraw/zinc/93/66/54/606936654.db2.gz KXHAWVXHRSYVNY-JTQLQIEISA-N -1 1 327.369 2.100 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc2c1cccc2F ZINC000822599128 606981186 /nfs/dbraw/zinc/98/11/86/606981186.db2.gz ACZYMYJYRPXVON-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc2c1cccc2F ZINC000822599128 606981189 /nfs/dbraw/zinc/98/11/89/606981189.db2.gz ACZYMYJYRPXVON-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820231620 607045206 /nfs/dbraw/zinc/04/52/06/607045206.db2.gz CDIIMMCPIPBRBD-WPRPVWTQSA-N -1 1 334.767 2.432 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820231620 607045208 /nfs/dbraw/zinc/04/52/08/607045208.db2.gz CDIIMMCPIPBRBD-WPRPVWTQSA-N -1 1 334.767 2.432 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823380212 607109133 /nfs/dbraw/zinc/10/91/33/607109133.db2.gz SLSQVPMFILWKGG-SFYZADRCSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000823380212 607109134 /nfs/dbraw/zinc/10/91/34/607109134.db2.gz SLSQVPMFILWKGG-SFYZADRCSA-N -1 1 348.338 2.344 20 0 EEADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000820527616 607159925 /nfs/dbraw/zinc/15/99/25/607159925.db2.gz LSXSLBVUTFTUDI-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM CC(C)CC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073092 607194744 /nfs/dbraw/zinc/19/47/44/607194744.db2.gz PPNODTRUOPWLFF-NSHDSACASA-N -1 1 332.412 2.033 20 0 EEADMM CC(C)CC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820073092 607194745 /nfs/dbraw/zinc/19/47/45/607194745.db2.gz PPNODTRUOPWLFF-NSHDSACASA-N -1 1 332.412 2.033 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(C2CCOCC2)CC1 ZINC000826472288 607772511 /nfs/dbraw/zinc/77/25/11/607772511.db2.gz FWKSIIUWZIMFFH-UHFFFAOYSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(C2CCOCC2)CC1 ZINC000826472288 607772512 /nfs/dbraw/zinc/77/25/12/607772512.db2.gz FWKSIIUWZIMFFH-UHFFFAOYSA-N -1 1 347.444 2.207 20 0 EEADMM COc1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826211517 607865305 /nfs/dbraw/zinc/86/53/05/607865305.db2.gz IBZBKZFMYNCYAY-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM COc1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826211517 607865306 /nfs/dbraw/zinc/86/53/06/607865306.db2.gz IBZBKZFMYNCYAY-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM CCO[C@H](C)c1noc(COc2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825576576 607866005 /nfs/dbraw/zinc/86/60/05/607866005.db2.gz KVMWCRXUVOXTJO-MRVPVSSYSA-N -1 1 334.311 2.065 20 0 EEADMM CCO[C@H](C)c1noc(COc2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825576576 607866006 /nfs/dbraw/zinc/86/60/06/607866006.db2.gz KVMWCRXUVOXTJO-MRVPVSSYSA-N -1 1 334.311 2.065 20 0 EEADMM c1ccc(CN(C[C@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826521600 607903242 /nfs/dbraw/zinc/90/32/42/607903242.db2.gz RYJRSVYVCCTLKO-OAHLLOKOSA-N -1 1 336.399 2.447 20 0 EEADMM c1ccc(CN(C[C@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826521600 607903243 /nfs/dbraw/zinc/90/32/43/607903243.db2.gz RYJRSVYVCCTLKO-OAHLLOKOSA-N -1 1 336.399 2.447 20 0 EEADMM C[C@@H](OCCCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824727540 607988207 /nfs/dbraw/zinc/98/82/07/607988207.db2.gz BAAIBCLVPIKCKQ-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](OCCCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824727540 607988208 /nfs/dbraw/zinc/98/82/08/607988208.db2.gz BAAIBCLVPIKCKQ-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM Cc1nnc([C@H](C)Sc2nc(C)nc(C)c2-c2nn[n-]n2)s1 ZINC000826324161 608144308 /nfs/dbraw/zinc/14/43/08/608144308.db2.gz GQOKFDMGYXEFBD-LURJTMIESA-N -1 1 334.434 2.287 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826321954 608206602 /nfs/dbraw/zinc/20/66/02/608206602.db2.gz VIAWSXRAAUZXCU-JTQLQIEISA-N -1 1 343.416 2.245 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826321954 608206604 /nfs/dbraw/zinc/20/66/04/608206604.db2.gz VIAWSXRAAUZXCU-JTQLQIEISA-N -1 1 343.416 2.245 20 0 EEADMM CC(C)[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824214449 608242114 /nfs/dbraw/zinc/24/21/14/608242114.db2.gz GVFYLZWEWSVDFW-SMDDNHRTSA-N -1 1 339.403 2.425 20 0 EEADMM CC(C)[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824214449 608242115 /nfs/dbraw/zinc/24/21/15/608242115.db2.gz GVFYLZWEWSVDFW-SMDDNHRTSA-N -1 1 339.403 2.425 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826472331 608333680 /nfs/dbraw/zinc/33/36/80/608333680.db2.gz HFYUCRYPAKBMDL-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826472331 608333682 /nfs/dbraw/zinc/33/36/82/608333682.db2.gz HFYUCRYPAKBMDL-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM Cn1cc(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cn1 ZINC000826360638 608350257 /nfs/dbraw/zinc/35/02/57/608350257.db2.gz SBKWXJMZQAYXRK-UHFFFAOYSA-N -1 1 345.432 2.140 20 0 EEADMM Cn1cc(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)cn1 ZINC000826360638 608350259 /nfs/dbraw/zinc/35/02/59/608350259.db2.gz SBKWXJMZQAYXRK-UHFFFAOYSA-N -1 1 345.432 2.140 20 0 EEADMM c1ccc2cc(OCCNc3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC000826524335 608394171 /nfs/dbraw/zinc/39/41/71/608394171.db2.gz RBCZEOJNPZOUJY-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2cc(OCCNc3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC000826524335 608394173 /nfs/dbraw/zinc/39/41/73/608394173.db2.gz RBCZEOJNPZOUJY-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824899510 608420918 /nfs/dbraw/zinc/42/09/18/608420918.db2.gz KNNWKBKLHOJSMO-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824899510 608420920 /nfs/dbraw/zinc/42/09/20/608420920.db2.gz KNNWKBKLHOJSMO-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM COCCCCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000826156205 608434596 /nfs/dbraw/zinc/43/45/96/608434596.db2.gz SXLRZPJVGYKBBV-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM COCCCCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000826156205 608434598 /nfs/dbraw/zinc/43/45/98/608434598.db2.gz SXLRZPJVGYKBBV-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM CC(C)[C@H](O)C1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824199397 608586248 /nfs/dbraw/zinc/58/62/48/608586248.db2.gz JLBFQPRUCWUIFN-HNNXBMFYSA-N -1 1 339.403 2.019 20 0 EEADMM CC(C)[C@H](O)C1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824199397 608586249 /nfs/dbraw/zinc/58/62/49/608586249.db2.gz JLBFQPRUCWUIFN-HNNXBMFYSA-N -1 1 339.403 2.019 20 0 EEADMM CC(C)n1c(CNC(=O)c2ccc(NC3CC3)nc2)n[n-]c1=S ZINC000066639379 674975468 /nfs/dbraw/zinc/97/54/68/674975468.db2.gz ZWBKZCXVFDMTGH-UHFFFAOYSA-N -1 1 332.433 2.421 20 0 EEADMM C[C@H]1CN(C(=O)CC(C)(C)C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020691560 675412112 /nfs/dbraw/zinc/41/21/12/675412112.db2.gz HDZCLYLZBYIHTJ-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM Nc1nc([O-])c(CC(=O)N(CCc2ccccc2)C2CCCC2)s1 ZINC000079804807 675449100 /nfs/dbraw/zinc/44/91/00/675449100.db2.gz ZUCMNYCYAAGOGY-OAHLLOKOSA-N -1 1 345.468 2.347 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H](O)C1)c1cc(Cl)cnc1Cl ZINC000866862120 677924956 /nfs/dbraw/zinc/92/49/56/677924956.db2.gz CFLZBZYSVKLWEG-PSASIEDQSA-N -1 1 339.244 2.218 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)C1=CCCCCC1 ZINC001021235839 675867024 /nfs/dbraw/zinc/86/70/24/675867024.db2.gz YWRSTBGXRLYFFL-GOOCMWNKSA-N -1 1 345.447 2.012 20 0 EEADMM CCCc1n[n-]c(=S)n1CC(=O)NCc1nc2ccccc2[nH]1 ZINC000198452420 676331668 /nfs/dbraw/zinc/33/16/68/676331668.db2.gz HJANHFGFDLFOIF-UHFFFAOYSA-N -1 1 330.417 2.086 20 0 EEADMM COCc1nc(N2CCN(c3cccc(Cl)c3)CC2)cc(=O)[n-]1 ZINC000891423101 676579222 /nfs/dbraw/zinc/57/92/22/676579222.db2.gz HNKRTLDJQGPPPS-UHFFFAOYSA-N -1 1 334.807 2.309 20 0 EEADMM O=C(C[C@H]1Cc2ccccc2O1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616222 676723697 /nfs/dbraw/zinc/72/36/97/676723697.db2.gz WQKWKRMGEHUKTB-GFCCVEGCSA-N -1 1 325.368 2.393 20 0 EEADMM COc1cc[n-]c(=NNC(=O)Nc2ccc(N(C)C)c(Cl)c2)n1 ZINC000159919639 679437080 /nfs/dbraw/zinc/43/70/80/679437080.db2.gz SJXUUIBESKJRGQ-UHFFFAOYSA-N -1 1 336.783 2.353 20 0 EEADMM COCc1nc(N[C@H](C)Cc2ccc(OC)c(OC)c2)cc(=O)[n-]1 ZINC000892401837 679625291 /nfs/dbraw/zinc/62/52/91/679625291.db2.gz JIHGSSMFHMVXQC-LLVKDONJSA-N -1 1 333.388 2.389 20 0 EEADMM CC(C)n1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3ccccc3O)C2)n1 ZINC001028418260 681358458 /nfs/dbraw/zinc/35/84/58/681358458.db2.gz ZSSHXLJEBJBVAV-OAHLLOKOSA-N -1 1 342.443 2.422 20 0 EEADMM CCC(=O)N1CCCC[C@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000937130252 681453767 /nfs/dbraw/zinc/45/37/67/681453767.db2.gz POGLWHBBVYZTHA-ZDUSSCGKSA-N -1 1 348.447 2.135 20 0 EEADMM C[C@@H]1[C@H](C(=O)[N-]OCc2ccccn2)CCN1C(=O)OC(C)(C)C ZINC000909542713 685461554 /nfs/dbraw/zinc/46/15/54/685461554.db2.gz XOGZIGQKXYDOAB-TZMCWYRMSA-N -1 1 335.404 2.275 20 0 EEADMM CN(C(=O)C(F)=C1CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937211568 681682628 /nfs/dbraw/zinc/68/26/28/681682628.db2.gz MARRYXXCOUNSTK-CYBMUJFWSA-N -1 1 347.390 2.258 20 0 EEADMM CN(C(=O)CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216690 681698821 /nfs/dbraw/zinc/69/88/21/681698821.db2.gz KBTMXNZYFVMJHG-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)n1c(CNC(=O)COc2cccc(C#N)c2)n[n-]c1=S ZINC000066639404 681783048 /nfs/dbraw/zinc/78/30/48/681783048.db2.gz UROVXLGGGSSFJQ-UHFFFAOYSA-N -1 1 331.401 2.088 20 0 EEADMM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC000982670544 682008828 /nfs/dbraw/zinc/00/88/28/682008828.db2.gz LSMWITAYYMOGFI-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM O=C(CC1CCC1)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214699 682226734 /nfs/dbraw/zinc/22/67/34/682226734.db2.gz DELMXHNHLSSDEZ-LSDHHAIUSA-N -1 1 347.463 2.046 20 0 EEADMM O=C([N-]OCc1ccccn1)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000909544482 685585927 /nfs/dbraw/zinc/58/59/27/685585927.db2.gz NLPXKAXJXQMZTJ-OAHLLOKOSA-N -1 1 349.394 2.151 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccco2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983512971 682758511 /nfs/dbraw/zinc/75/85/11/682758511.db2.gz RSZDBUDDCNFCOH-OLZOCXBDSA-N -1 1 343.383 2.051 20 0 EEADMM CC(C)CC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973728212 683191707 /nfs/dbraw/zinc/19/17/07/683191707.db2.gz WYNJYKZVBCAQSU-GJZGRUSLSA-N -1 1 345.443 2.286 20 0 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1350695076 /nfs/dbraw/zinc/69/50/76/1350695076.db2.gz VRSDHJMUMTXEQE-PHIMTYICSA-N -1 1 325.376 2.178 20 0 EEADMM CC(C)O[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001603359642 1350695078 /nfs/dbraw/zinc/69/50/78/1350695078.db2.gz VRSDHJMUMTXEQE-PHIMTYICSA-N -1 1 325.376 2.178 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603584684 1350725006 /nfs/dbraw/zinc/72/50/06/1350725006.db2.gz VJVCHIPRDWGYFC-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603584684 1350725011 /nfs/dbraw/zinc/72/50/11/1350725011.db2.gz VJVCHIPRDWGYFC-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM CCCCn1cc(CNc2cc(-c3nnn[n-]3)nc(CC)n2)c(C)n1 ZINC001604192847 1350889895 /nfs/dbraw/zinc/88/98/95/1350889895.db2.gz RWNZORKXHXZLFM-UHFFFAOYSA-N -1 1 341.423 2.136 20 0 EEADMM CCCCn1cc(CNc2cc(-c3nn[n-]n3)nc(CC)n2)c(C)n1 ZINC001604192847 1350889900 /nfs/dbraw/zinc/88/99/00/1350889900.db2.gz RWNZORKXHXZLFM-UHFFFAOYSA-N -1 1 341.423 2.136 20 0 EEADMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604331781 1350917789 /nfs/dbraw/zinc/91/77/89/1350917789.db2.gz DBEHCFYESUUKHK-UHFFFAOYSA-N -1 1 349.441 2.452 20 0 EEADMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604331781 1350917792 /nfs/dbraw/zinc/91/77/92/1350917792.db2.gz DBEHCFYESUUKHK-UHFFFAOYSA-N -1 1 349.441 2.452 20 0 EEADMM OC1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCCCC1 ZINC001607099708 1351417708 /nfs/dbraw/zinc/41/77/08/1351417708.db2.gz PQHNWIXNQJSBPL-UHFFFAOYSA-N -1 1 342.325 2.388 20 0 EEADMM OC1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCCCC1 ZINC001607099708 1351417712 /nfs/dbraw/zinc/41/77/12/1351417712.db2.gz PQHNWIXNQJSBPL-UHFFFAOYSA-N -1 1 342.325 2.388 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cnc2[nH]ccc2c1 ZINC001303462707 1331355000 /nfs/dbraw/zinc/35/50/00/1331355000.db2.gz OFZXTCZUPARTOU-UHFFFAOYSA-N -1 1 336.355 2.061 20 0 EEADMM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC001306522990 1331475515 /nfs/dbraw/zinc/47/55/15/1331475515.db2.gz 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ZINC001609116125 1351850321 /nfs/dbraw/zinc/85/03/21/1351850321.db2.gz ZPYZJRMPPFPGJE-SECBINFHSA-N -1 1 331.376 2.428 20 0 EEADMM C[C@H](Cc1ccsc1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609116125 1351850323 /nfs/dbraw/zinc/85/03/23/1351850323.db2.gz ZPYZJRMPPFPGJE-SECBINFHSA-N -1 1 331.376 2.428 20 0 EEADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NCC(F)(F)F ZINC001609137791 1351857570 /nfs/dbraw/zinc/85/75/70/1351857570.db2.gz LTGLQFFZSVZGKJ-LURJTMIESA-N -1 1 349.313 2.165 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609212892 1351895088 /nfs/dbraw/zinc/89/50/88/1351895088.db2.gz RNCAXVQGZZCJCE-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CCCOc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1OC ZINC001609216439 1351897575 /nfs/dbraw/zinc/89/75/75/1351897575.db2.gz JADRSRLXPOYCIJ-UHFFFAOYSA-N -1 1 341.375 2.066 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609245809 1351907357 /nfs/dbraw/zinc/90/73/57/1351907357.db2.gz MCUAUYLXDPNQBI-JTQLQIEISA-N -1 1 327.344 2.349 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609245809 1351907359 /nfs/dbraw/zinc/90/73/59/1351907359.db2.gz MCUAUYLXDPNQBI-JTQLQIEISA-N -1 1 327.344 2.349 20 0 EEADMM COc1cc2c(cc1F)CN(c1cc(C)nc(-c3nnn[n-]3)c1)CC2 ZINC001609349029 1351941633 /nfs/dbraw/zinc/94/16/33/1351941633.db2.gz XQCFGFXRSAILFT-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM COc1cc2c(cc1F)CN(c1cc(C)nc(-c3nn[n-]n3)c1)CC2 ZINC001609349029 1351941636 /nfs/dbraw/zinc/94/16/36/1351941636.db2.gz XQCFGFXRSAILFT-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM CSc1cccc(F)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001609373312 1351951010 /nfs/dbraw/zinc/95/10/10/1351951010.db2.gz QRHRNPZJNGWEEJ-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CSc1cccc(F)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001609373312 1351951011 /nfs/dbraw/zinc/95/10/11/1351951011.db2.gz QRHRNPZJNGWEEJ-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM Cc1c(Cl)c(Cn2cnc(-c3nn[n-]n3)n2)nc2ccccc12 ZINC001609383738 1351954331 /nfs/dbraw/zinc/95/43/31/1351954331.db2.gz BZXBHLOLMAWDIJ-UHFFFAOYSA-N -1 1 326.751 2.017 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)COc2c(C)cccc2C)n1 ZINC001609392379 1351958016 /nfs/dbraw/zinc/95/80/16/1351958016.db2.gz NYXFVENJFDURDC-ZDUSSCGKSA-N -1 1 339.403 2.461 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)COc2c(C)cccc2C)n1 ZINC001609392379 1351958017 /nfs/dbraw/zinc/95/80/17/1351958017.db2.gz NYXFVENJFDURDC-ZDUSSCGKSA-N -1 1 339.403 2.461 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609443977 1351979943 /nfs/dbraw/zinc/97/99/43/1351979943.db2.gz CSRRMRIQOCRTHE-NSHDSACASA-N -1 1 343.416 2.245 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609560725 1352016816 /nfs/dbraw/zinc/01/68/16/1352016816.db2.gz FPPLREOGCMVIQA-MGCOHNPYSA-N -1 1 327.319 2.275 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609560725 1352016818 /nfs/dbraw/zinc/01/68/18/1352016818.db2.gz FPPLREOGCMVIQA-MGCOHNPYSA-N -1 1 327.319 2.275 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCC(F)F)c(F)c1 ZINC001332323331 1335802376 /nfs/dbraw/zinc/80/23/76/1335802376.db2.gz SERPKONWGJHVMB-UHFFFAOYSA-N -1 1 339.335 2.326 20 0 EEADMM CC(C)(C)C1=CCN(CCNC(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC001609654233 1352051220 /nfs/dbraw/zinc/05/12/20/1352051220.db2.gz NEOHSVUGSWKKKC-UHFFFAOYSA-N -1 1 331.416 2.188 20 0 EEADMM CC(C)N1CCN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001609706977 1352064350 /nfs/dbraw/zinc/06/43/50/1352064350.db2.gz ZAQAIOYPBGUPON-UHFFFAOYSA-N -1 1 340.449 2.063 20 0 EEADMM CC(C)c1sc(NC(=O)c2cnc3nc[nH]c3c2)nc1C(=O)[O-] ZINC001609723828 1352069031 /nfs/dbraw/zinc/06/90/31/1352069031.db2.gz WBSGXFVQNISVOP-UHFFFAOYSA-N -1 1 331.357 2.488 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC001609735217 1352072148 /nfs/dbraw/zinc/07/21/48/1352072148.db2.gz NASWKCNNOITISW-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(C(=O)[O-])co1 ZINC001609782183 1352084133 /nfs/dbraw/zinc/08/41/33/1352084133.db2.gz ZIZYVYWFDMREAQ-ZYHUDNBSSA-N -1 1 335.381 2.200 20 0 EEADMM C[C@H](c1ccccc1)[C@H](NCc1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001609807711 1352090260 /nfs/dbraw/zinc/09/02/60/1352090260.db2.gz NXRXEGQHLZOHIA-BZNIZROVSA-N -1 1 330.359 2.271 20 0 EEADMM CC1(C)CCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CCS1 ZINC001609818637 1352092916 /nfs/dbraw/zinc/09/29/16/1352092916.db2.gz PURXVRRETGQLGH-UHFFFAOYSA-N -1 1 328.478 2.108 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CN1C(=S)N=NC1CCC1CCCC1 ZINC001609832719 1352096585 /nfs/dbraw/zinc/09/65/85/1352096585.db2.gz GXZZAVKCWGZUOG-DGCLKSJQSA-N -1 1 338.477 2.442 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001339800109 1337074850 /nfs/dbraw/zinc/07/48/50/1337074850.db2.gz CVXPLXZDSFJAQQ-ZWNOBZJWSA-N -1 1 349.822 2.241 20 0 EEADMM CC[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(=O)[O-] ZINC001609931646 1352122934 /nfs/dbraw/zinc/12/29/34/1352122934.db2.gz NLCQDJZZAHDGSV-OLZOCXBDSA-N -1 1 342.342 2.236 20 0 EEADMM CC[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)[C@H](O)c1ccccc1 ZINC001352648594 1338019622 /nfs/dbraw/zinc/01/96/22/1338019622.db2.gz ZHVPVYRMZATMFB-WCQYABFASA-N -1 1 333.413 2.021 20 0 EEADMM COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001610159623 1352176246 /nfs/dbraw/zinc/17/62/46/1352176246.db2.gz RZYBIJDFDDPVND-RISCZKNCSA-N -1 1 349.280 2.379 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc(C(C)(C)C)ns1 ZINC001100515401 1338463950 /nfs/dbraw/zinc/46/39/50/1338463950.db2.gz OIQUOUDRSZJPGD-UHFFFAOYSA-N -1 1 349.460 2.193 20 0 EEADMM CC(C)(C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC001416097573 1338591767 /nfs/dbraw/zinc/59/17/67/1338591767.db2.gz OLXSZUGYRCOHRJ-UHFFFAOYSA-N -1 1 345.443 2.192 20 0 EEADMM COc1ncccc1CNCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001610371354 1352212517 /nfs/dbraw/zinc/21/25/17/1352212517.db2.gz XQYLMYKHOGSPER-UHFFFAOYSA-N -1 1 330.384 2.460 20 0 EEADMM Cc1cc(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n[nH]1 ZINC001610459539 1352226304 /nfs/dbraw/zinc/22/63/04/1352226304.db2.gz MQDMZHFLOIUFAU-MRXNPFEDSA-N -1 1 348.834 2.315 20 0 EEADMM CCC1(C(=O)NCC[C@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001416544740 1339146592 /nfs/dbraw/zinc/14/65/92/1339146592.db2.gz ZDXVWVLSEWCTAF-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001610701915 1352261633 /nfs/dbraw/zinc/26/16/33/1352261633.db2.gz XCUHBPHGLVKPQY-OAGGEKHMSA-N -1 1 327.384 2.106 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C1C=CC=CC=C1)NC(=O)c1ncccc1[O-] ZINC001428599042 1339592506 /nfs/dbraw/zinc/59/25/06/1339592506.db2.gz YXYMJHPWSAQCTB-UONOGXRCSA-N -1 1 341.411 2.099 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2 ZINC001610843026 1352283986 /nfs/dbraw/zinc/28/39/86/1352283986.db2.gz RYUPVINWZIPAEH-OAHLLOKOSA-N -1 1 340.383 2.253 20 0 EEADMM C[C@H](CC(=O)N(C)CCNC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001429225829 1339841555 /nfs/dbraw/zinc/84/15/55/1339841555.db2.gz MFBOKSHOLJYKRU-CYBMUJFWSA-N -1 1 335.448 2.438 20 0 EEADMM O=Cc1[nH]nc2cc(C(=O)OCc3ccccc3CC(=O)[O-])ccc12 ZINC001610887336 1352291095 /nfs/dbraw/zinc/29/10/95/1352291095.db2.gz VUJPRTYBHJGCRL-UHFFFAOYSA-N -1 1 338.319 2.360 20 0 EEADMM O=C(Cc1cncc(O)c1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001611187184 1352296413 /nfs/dbraw/zinc/29/64/13/1352296413.db2.gz OOZZPSPZIBORNC-UHFFFAOYSA-N -1 1 345.746 2.113 20 0 EEADMM CC(C)(C)CCC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001430909630 1340377365 /nfs/dbraw/zinc/37/73/65/1340377365.db2.gz AEOPHIKUYCVTDE-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)CCC1CC1 ZINC001431877531 1340775768 /nfs/dbraw/zinc/77/57/68/1340775768.db2.gz WCPZSGQOBDTVCB-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM CCC1(C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001431917620 1340798220 /nfs/dbraw/zinc/79/82/20/1340798220.db2.gz ZHCWYZUVCHDATM-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1ccc(F)cc1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001432961475 1341446797 /nfs/dbraw/zinc/44/67/97/1341446797.db2.gz OJPFISYTNMXBLZ-NSHDSACASA-N -1 1 345.374 2.031 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1csc(CO)n1 ZINC001434004045 1341743795 /nfs/dbraw/zinc/74/37/95/1341743795.db2.gz CKOWGWSDTAEFDT-UHFFFAOYSA-N -1 1 329.175 2.356 20 0 EEADMM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578854261 1344308686 /nfs/dbraw/zinc/30/86/86/1344308686.db2.gz LLLOKYJKEIDAGM-KBPBESRZSA-N -1 1 338.346 2.167 20 0 EEADMM CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578854261 1344308690 /nfs/dbraw/zinc/30/86/90/1344308690.db2.gz LLLOKYJKEIDAGM-KBPBESRZSA-N -1 1 338.346 2.167 20 0 EEADMM CN(C)c1ccc(N(C)C(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001578998014 1344328004 /nfs/dbraw/zinc/32/80/04/1344328004.db2.gz HNBKVPHEPOSEBA-UHFFFAOYSA-N -1 1 328.401 2.271 20 0 EEADMM CN(C)c1ccc(N(C)C(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001578998014 1344328007 /nfs/dbraw/zinc/32/80/07/1344328007.db2.gz HNBKVPHEPOSEBA-UHFFFAOYSA-N -1 1 328.401 2.271 20 0 EEADMM CO[C@H](CNc1ncncc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001579594443 1344398446 /nfs/dbraw/zinc/39/84/46/1344398446.db2.gz LNGXKTYGQSASGA-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c(C)c1 ZINC001580042253 1344455977 /nfs/dbraw/zinc/45/59/77/1344455977.db2.gz WEMUBAHJUFNGTJ-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM CSc1c(F)cccc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001580230401 1344494687 /nfs/dbraw/zinc/49/46/87/1344494687.db2.gz DSKHXMTUFMQORO-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM CSc1c(F)cccc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001580230401 1344494694 /nfs/dbraw/zinc/49/46/94/1344494694.db2.gz DSKHXMTUFMQORO-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2nccc(Cl)c2Cl)c1 ZINC001580609374 1344542636 /nfs/dbraw/zinc/54/26/36/1344542636.db2.gz VSGHAOGOFRKELJ-UHFFFAOYSA-N -1 1 337.170 2.087 20 0 EEADMM Cc1ccc2c(c1)C=C(C(=O)N(C)c1ccc(-c3nnn[n-]3)nc1)CO2 ZINC001581215243 1344600029 /nfs/dbraw/zinc/60/00/29/1344600029.db2.gz SPUJVMPUVLGEBK-UHFFFAOYSA-N -1 1 348.366 2.009 20 0 EEADMM Cc1ccc2c(c1)C=C(C(=O)N(C)c1ccc(-c3nn[n-]n3)nc1)CO2 ZINC001581215243 1344600035 /nfs/dbraw/zinc/60/00/35/1344600035.db2.gz SPUJVMPUVLGEBK-UHFFFAOYSA-N -1 1 348.366 2.009 20 0 EEADMM Cc1csc([C@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581385338 1344622086 /nfs/dbraw/zinc/62/20/86/1344622086.db2.gz OQYQESUAYNBPQD-MRVPVSSYSA-N -1 1 334.430 2.113 20 0 EEADMM Cc1nc(Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc(-c2nnn[n-]2)n1 ZINC001581531161 1344636371 /nfs/dbraw/zinc/63/63/71/1344636371.db2.gz WZBRSSXDLIWYSM-GFCCVEGCSA-N -1 1 345.313 2.495 20 0 EEADMM Cc1nc(Nc2ccc(O[C@@H]3CC3(F)F)cc2)cc(-c2nn[n-]n2)n1 ZINC001581531161 1344636375 /nfs/dbraw/zinc/63/63/75/1344636375.db2.gz WZBRSSXDLIWYSM-GFCCVEGCSA-N -1 1 345.313 2.495 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)C2(C)CCC2)c1-c1nn[n-]n1 ZINC001581713930 1344658083 /nfs/dbraw/zinc/65/80/83/1344658083.db2.gz BWZQTTSIDXLVOL-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM O=C(N=[S@]1(=O)CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC001582217823 1344712504 /nfs/dbraw/zinc/71/25/04/1344712504.db2.gz LRXANLXHTLQWLQ-QHCPKHFHSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N=[S@]1(=O)CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC001582217823 1344712507 /nfs/dbraw/zinc/71/25/07/1344712507.db2.gz LRXANLXHTLQWLQ-QHCPKHFHSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582245116 1344717060 /nfs/dbraw/zinc/71/70/60/1344717060.db2.gz WCJXWOCRKTXIQX-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582245116 1344717064 /nfs/dbraw/zinc/71/70/64/1344717064.db2.gz WCJXWOCRKTXIQX-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)c([O-])c1 ZINC001582327620 1344732553 /nfs/dbraw/zinc/73/25/53/1344732553.db2.gz HEKDWXUTGSGCGM-AWEZNQCLSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(NCCc1ccc(F)cc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582526572 1344758502 /nfs/dbraw/zinc/75/85/02/1344758502.db2.gz LBIVCFXXJQPKNG-UHFFFAOYSA-N -1 1 346.391 2.109 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCc2ccccc21 ZINC001582548986 1344760528 /nfs/dbraw/zinc/76/05/28/1344760528.db2.gz LCSLUPCLWJWARL-UHFFFAOYSA-N -1 1 326.385 2.201 20 0 EEADMM O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582642954 1344775526 /nfs/dbraw/zinc/77/55/26/1344775526.db2.gz XBCNKDXTALSOGB-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1C1CCCC1 ZINC001582813472 1344795525 /nfs/dbraw/zinc/79/55/25/1344795525.db2.gz JZGCZYCWXJGKDR-WCQYABFASA-N -1 1 348.838 2.293 20 0 EEADMM O[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1C1CCCC1 ZINC001582813472 1344795528 /nfs/dbraw/zinc/79/55/28/1344795528.db2.gz JZGCZYCWXJGKDR-WCQYABFASA-N -1 1 348.838 2.293 20 0 EEADMM c1ccc2c(c1)O[C@@H](CNc1cccc(-c3nnn[n-]3)n1)CS2 ZINC001582817519 1344796830 /nfs/dbraw/zinc/79/68/30/1344796830.db2.gz LRZXSTJPUGYHAD-JTQLQIEISA-N -1 1 326.385 2.227 20 0 EEADMM c1ccc2c(c1)O[C@@H](CNc1cccc(-c3nn[n-]n3)n1)CS2 ZINC001582817519 1344796837 /nfs/dbraw/zinc/79/68/37/1344796837.db2.gz LRZXSTJPUGYHAD-JTQLQIEISA-N -1 1 326.385 2.227 20 0 EEADMM c1ccc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)c2cccnc2)cc1 ZINC001582818355 1344797962 /nfs/dbraw/zinc/79/79/62/1344797962.db2.gz DWPJCQLZDORWOO-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)c2cccnc2)cc1 ZINC001582818355 1344797965 /nfs/dbraw/zinc/79/79/65/1344797965.db2.gz DWPJCQLZDORWOO-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM CC(C)(C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C(F)F ZINC001589052850 1348955844 /nfs/dbraw/zinc/95/58/44/1348955844.db2.gz VFLCUHGPLTYCFP-UHFFFAOYSA-N -1 1 331.273 2.052 20 0 EEADMM CC(C)(C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C(F)F ZINC001589052850 1348955846 /nfs/dbraw/zinc/95/58/46/1348955846.db2.gz VFLCUHGPLTYCFP-UHFFFAOYSA-N -1 1 331.273 2.052 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001589208398 1348971002 /nfs/dbraw/zinc/97/10/02/1348971002.db2.gz ZQFBXFHHMCOXGE-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001589208398 1348971009 /nfs/dbraw/zinc/97/10/09/1348971009.db2.gz ZQFBXFHHMCOXGE-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1(CO)CCCC1 ZINC001589473232 1348992726 /nfs/dbraw/zinc/99/27/26/1348992726.db2.gz ZHTKNBDVWJBYTC-ZDUSSCGKSA-N -1 1 349.460 2.235 20 0 EEADMM CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589709752 1349021746 /nfs/dbraw/zinc/02/17/46/1349021746.db2.gz XFUNOMUJICZFMK-UHFFFAOYSA-N -1 1 333.373 2.063 20 0 EEADMM CC(C)OC(=O)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589733563 1349025331 /nfs/dbraw/zinc/02/53/31/1349025331.db2.gz ZLYGQZWRDGVOSS-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)OC(=O)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589733563 1349025336 /nfs/dbraw/zinc/02/53/36/1349025336.db2.gz ZLYGQZWRDGVOSS-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589761109 1349032396 /nfs/dbraw/zinc/03/23/96/1349032396.db2.gz XPOXBUZVRGHIEO-UHFFFAOYSA-N -1 1 349.372 2.048 20 0 EEADMM C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC(C)(C)C ZINC001589825388 1349051686 /nfs/dbraw/zinc/05/16/86/1349051686.db2.gz PDNARTDYZIOZNL-JTQLQIEISA-N -1 1 334.428 2.184 20 0 EEADMM C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC(C)(C)C ZINC001589825388 1349051693 /nfs/dbraw/zinc/05/16/93/1349051693.db2.gz PDNARTDYZIOZNL-JTQLQIEISA-N -1 1 334.428 2.184 20 0 EEADMM C[C@H](N(C)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2)C(C)(C)C ZINC001589912831 1349060884 /nfs/dbraw/zinc/06/08/84/1349060884.db2.gz LFHBOPBUNMFEEG-LBPRGKRZSA-N -1 1 344.463 2.231 20 0 EEADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC001589989110 1349095897 /nfs/dbraw/zinc/09/58/97/1349095897.db2.gz FWNLIYYTKKGJCD-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590048882 1349129469 /nfs/dbraw/zinc/12/94/69/1349129469.db2.gz FGYBACFRPOJBOP-VIFPVBQESA-N -1 1 343.778 2.143 20 0 EEADMM CC1(C)N[C@H](c2csc(-c3nn[n-]n3)c2)N(CC2CCCC2)C1=O ZINC001590115900 1349160971 /nfs/dbraw/zinc/16/09/71/1349160971.db2.gz YNRPAXMAQVDXBV-AWEZNQCLSA-N -1 1 346.460 2.327 20 0 EEADMM C[C@@H]1Cc2cc(COC(=O)c3coc(-c4nnn[n-]4)c3)ccc2O1 ZINC001590330474 1349268911 /nfs/dbraw/zinc/26/89/11/1349268911.db2.gz WZDCEBCOPXVGPM-SECBINFHSA-N -1 1 326.312 2.140 20 0 EEADMM C[C@@H]1Cc2cc(COC(=O)c3coc(-c4nn[n-]n4)c3)ccc2O1 ZINC001590330474 1349268922 /nfs/dbraw/zinc/26/89/22/1349268922.db2.gz WZDCEBCOPXVGPM-SECBINFHSA-N -1 1 326.312 2.140 20 0 EEADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590407690 1349308749 /nfs/dbraw/zinc/30/87/49/1349308749.db2.gz RWTYFGZGCMSFPZ-CMPLNLGQSA-N -1 1 333.392 2.088 20 0 EEADMM CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1cc(F)ccc1OC ZINC001590473029 1349346525 /nfs/dbraw/zinc/34/65/25/1349346525.db2.gz KFWOOXLTLBZHMU-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1cc(F)ccc1OC ZINC001590473029 1349346530 /nfs/dbraw/zinc/34/65/30/1349346530.db2.gz KFWOOXLTLBZHMU-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590478923 1349350606 /nfs/dbraw/zinc/35/06/06/1349350606.db2.gz GPNDRXYRJKVYIL-CYBMUJFWSA-N -1 1 331.376 2.043 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590478923 1349350611 /nfs/dbraw/zinc/35/06/11/1349350611.db2.gz GPNDRXYRJKVYIL-CYBMUJFWSA-N -1 1 331.376 2.043 20 0 EEADMM CCc1[n-]n(-c2cc(-c3nn[nH]n3)cc(Cl)n2)c(=O)c1C(C)C ZINC001590499459 1349355240 /nfs/dbraw/zinc/35/52/40/1349355240.db2.gz KTHVZZNVABSIKY-GFCCVEGCSA-N -1 1 333.783 2.300 20 0 EEADMM CCCC(=O)c1ncccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001590538214 1349365241 /nfs/dbraw/zinc/36/52/41/1349365241.db2.gz AUEDWTZJICRAHO-UHFFFAOYSA-N -1 1 329.389 2.313 20 0 EEADMM CCCC(=O)c1ncccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001590538214 1349365247 /nfs/dbraw/zinc/36/52/47/1349365247.db2.gz AUEDWTZJICRAHO-UHFFFAOYSA-N -1 1 329.389 2.313 20 0 EEADMM CCC[C@H](CC)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590554273 1349369781 /nfs/dbraw/zinc/36/97/81/1349369781.db2.gz SORPRVNOHBZXBT-NSHDSACASA-N -1 1 349.391 2.385 20 0 EEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590850324 1349404493 /nfs/dbraw/zinc/40/44/93/1349404493.db2.gz JIUSZLRJJAXJCN-NWDGAFQWSA-N -1 1 335.408 2.410 20 0 EEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590850324 1349404497 /nfs/dbraw/zinc/40/44/97/1349404497.db2.gz JIUSZLRJJAXJCN-NWDGAFQWSA-N -1 1 335.408 2.410 20 0 EEADMM COc1cc(F)cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591540963 1349501650 /nfs/dbraw/zinc/50/16/50/1349501650.db2.gz YJPMDJYEFXGSEQ-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cc(F)cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591540963 1349501655 /nfs/dbraw/zinc/50/16/55/1349501655.db2.gz YJPMDJYEFXGSEQ-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591539654 1349503147 /nfs/dbraw/zinc/50/31/47/1349503147.db2.gz BWWACALWWXWONB-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591539654 1349503158 /nfs/dbraw/zinc/50/31/58/1349503158.db2.gz BWWACALWWXWONB-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(CC(C)(C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001591584006 1349510231 /nfs/dbraw/zinc/51/02/31/1349510231.db2.gz SBWIGQTUUNRMQB-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM COc1ccc(CC(C)(C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001591584006 1349510239 /nfs/dbraw/zinc/51/02/39/1349510239.db2.gz SBWIGQTUUNRMQB-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM Cc1cc(F)ccc1[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001591992615 1349578189 /nfs/dbraw/zinc/57/81/89/1349578189.db2.gz SAZNMZULNIKZMZ-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1cc(F)ccc1[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001591992615 1349578200 /nfs/dbraw/zinc/57/82/00/1349578200.db2.gz SAZNMZULNIKZMZ-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1[nH]nc(NCc2cscc2Br)c1-c1nnn[n-]1 ZINC001592330118 1349622461 /nfs/dbraw/zinc/62/24/61/1349622461.db2.gz AHOFHBFRTGVCHS-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1[nH]nc(NCc2cscc2Br)c1-c1nn[n-]n1 ZINC001592330118 1349622462 /nfs/dbraw/zinc/62/24/62/1349622462.db2.gz AHOFHBFRTGVCHS-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1[nH]nc(NC(=O)CC2CC(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC001592328683 1349621606 /nfs/dbraw/zinc/62/16/06/1349621606.db2.gz VBIJHKCOVWJGOR-UHFFFAOYSA-N -1 1 337.387 2.421 20 0 EEADMM Cc1nc(-c2nn[n-]n2)sc1-c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001592340750 1349623196 /nfs/dbraw/zinc/62/31/96/1349623196.db2.gz JORIOHPRMGUHKS-NSHDSACASA-N -1 1 326.385 2.250 20 0 EEADMM Cc1ncc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)s1 ZINC001592409696 1349628648 /nfs/dbraw/zinc/62/86/48/1349628648.db2.gz DIWYYJYIKCLXFU-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1ncc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)s1 ZINC001592409696 1349628649 /nfs/dbraw/zinc/62/86/49/1349628649.db2.gz DIWYYJYIKCLXFU-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1nsc(NC(=O)c2ncsc2C(C)C)c1-c1nnn[n-]1 ZINC001592482634 1349636863 /nfs/dbraw/zinc/63/68/63/1349636863.db2.gz QSODNUQTOYIXCI-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Cc1nsc(NC(=O)c2ncsc2C(C)C)c1-c1nn[n-]n1 ZINC001592482634 1349636864 /nfs/dbraw/zinc/63/68/64/1349636864.db2.gz QSODNUQTOYIXCI-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001592502055 1349637996 /nfs/dbraw/zinc/63/79/96/1349637996.db2.gz ZFJYIHXGTNYTMK-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC001592502055 1349637997 /nfs/dbraw/zinc/63/79/97/1349637997.db2.gz ZFJYIHXGTNYTMK-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001592501482 1349638084 /nfs/dbraw/zinc/63/80/84/1349638084.db2.gz GHUGUDKVFOXUGM-SSDOTTSWSA-N -1 1 330.175 2.082 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001592501482 1349638085 /nfs/dbraw/zinc/63/80/85/1349638085.db2.gz GHUGUDKVFOXUGM-SSDOTTSWSA-N -1 1 330.175 2.082 20 0 EEADMM Cc1onc(CC(=O)N2c3ccccc3CC[C@H]2C)c1-c1nnn[n-]1 ZINC001592515900 1349644403 /nfs/dbraw/zinc/64/44/03/1349644403.db2.gz RGFLKXDSKFFYQD-SNVBAGLBSA-N -1 1 338.371 2.074 20 0 EEADMM Cc1onc(CC(=O)N2c3ccccc3CC[C@H]2C)c1-c1nn[n-]n1 ZINC001592515900 1349644405 /nfs/dbraw/zinc/64/44/05/1349644405.db2.gz RGFLKXDSKFFYQD-SNVBAGLBSA-N -1 1 338.371 2.074 20 0 EEADMM Clc1ccc(C2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001592528142 1349649096 /nfs/dbraw/zinc/64/90/96/1349649096.db2.gz LAPCZNWHDFSSAG-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc(C2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001592528142 1349649098 /nfs/dbraw/zinc/64/90/98/1349649098.db2.gz LAPCZNWHDFSSAG-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1cccc(C2(CNc3ccnc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001592535107 1349650290 /nfs/dbraw/zinc/65/02/90/1349650290.db2.gz YZSUTOLGCJDTTH-UHFFFAOYSA-N -1 1 341.806 2.266 20 0 EEADMM Clc1sc(NC[C@@H]2COC3(CCCC3)O2)nc1-c1nn[n-]n1 ZINC001592543826 1349654639 /nfs/dbraw/zinc/65/46/39/1349654639.db2.gz RDBDMFYDVJYCFF-SSDOTTSWSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1sc(NCc2cn3ccccc3n2)nc1-c1nn[n-]n1 ZINC001592543045 1349654878 /nfs/dbraw/zinc/65/48/78/1349654878.db2.gz LFWBHGODLWQRTM-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Cn1nc(C2CC2)nc1CSc1cccc(F)c1-c1nn[n-]n1 ZINC001592596710 1349667005 /nfs/dbraw/zinc/66/70/05/1349667005.db2.gz ZCWMDABBMMSDJF-UHFFFAOYSA-N -1 1 331.380 2.304 20 0 EEADMM FC(F)(F)[C@@H]1CC=CC[C@H]1CNc1ncncc1-c1nn[n-]n1 ZINC001592618115 1349673496 /nfs/dbraw/zinc/67/34/96/1349673496.db2.gz MUMVFWIFANKAFE-WCBMZHEXSA-N -1 1 325.298 2.213 20 0 EEADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCCSCC2)c1 ZINC001592618410 1349673553 /nfs/dbraw/zinc/67/35/53/1349673553.db2.gz QHBOFEKVQUHZAD-UHFFFAOYSA-N -1 1 330.339 2.224 20 0 EEADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCCSCC2)c1 ZINC001592618410 1349673556 /nfs/dbraw/zinc/67/35/56/1349673556.db2.gz QHBOFEKVQUHZAD-UHFFFAOYSA-N -1 1 330.339 2.224 20 0 EEADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2OC3CCC2CC3)c1 ZINC001592617978 1349674194 /nfs/dbraw/zinc/67/41/94/1349674194.db2.gz FHDNVIJXRZBUJT-UHFFFAOYSA-N -1 1 326.282 2.343 20 0 EEADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2OC3CCC2CC3)c1 ZINC001592617978 1349674197 /nfs/dbraw/zinc/67/41/97/1349674197.db2.gz FHDNVIJXRZBUJT-UHFFFAOYSA-N -1 1 326.282 2.343 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592631606 1349681649 /nfs/dbraw/zinc/68/16/49/1349681649.db2.gz UMHRBZFSHLFWPQ-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592631606 1349681650 /nfs/dbraw/zinc/68/16/50/1349681650.db2.gz UMHRBZFSHLFWPQ-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM O=C(CCCc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592838838 1349718561 /nfs/dbraw/zinc/71/85/61/1349718561.db2.gz GKIUYJAPEFBWHX-UHFFFAOYSA-N -1 1 349.807 2.333 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001592965695 1349730865 /nfs/dbraw/zinc/73/08/65/1349730865.db2.gz KFJFGMWUDXCEHG-WFASDCNBSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001592965695 1349730866 /nfs/dbraw/zinc/73/08/66/1349730866.db2.gz KFJFGMWUDXCEHG-WFASDCNBSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCCC2(CC2)C1 ZINC001593137851 1349739956 /nfs/dbraw/zinc/73/99/56/1349739956.db2.gz XGGCNSHNLMRWHU-SNVBAGLBSA-N -1 1 332.433 2.450 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593192218 1349744659 /nfs/dbraw/zinc/74/46/59/1349744659.db2.gz BTUNOMDHDZREOK-HAQNSBGRSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593192218 1349744662 /nfs/dbraw/zinc/74/46/62/1349744662.db2.gz BTUNOMDHDZREOK-HAQNSBGRSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCCS1 ZINC001593263359 1349755314 /nfs/dbraw/zinc/75/53/14/1349755314.db2.gz NQNIEZDPTWUSAB-RXMQYKEDSA-N -1 1 330.826 2.201 20 0 EEADMM O=C(OCCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593290329 1349765171 /nfs/dbraw/zinc/76/51/71/1349765171.db2.gz CRXJPASLIUHVJD-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593290329 1349765178 /nfs/dbraw/zinc/76/51/78/1349765178.db2.gz CRXJPASLIUHVJD-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593298033 1349771299 /nfs/dbraw/zinc/77/12/99/1349771299.db2.gz WVRFVFBRUBWMFJ-LRDDRELGSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593298033 1349771302 /nfs/dbraw/zinc/77/13/02/1349771302.db2.gz WVRFVFBRUBWMFJ-LRDDRELGSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(O[C@@H]1CCCOc2ccccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001593306362 1349775251 /nfs/dbraw/zinc/77/52/51/1349775251.db2.gz SHTLWVBGUCITLJ-OAHLLOKOSA-N -1 1 337.339 2.332 20 0 EEADMM O=C(O[C@@H]1CCCOc2ccccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001593306362 1349775255 /nfs/dbraw/zinc/77/52/55/1349775255.db2.gz SHTLWVBGUCITLJ-OAHLLOKOSA-N -1 1 337.339 2.332 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593309500 1349777407 /nfs/dbraw/zinc/77/74/07/1349777407.db2.gz JLYHCMILMIIWGR-UHFFFAOYSA-N -1 1 325.259 2.366 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001593362743 1349790569 /nfs/dbraw/zinc/79/05/69/1349790569.db2.gz XPDVGIDJGMOYKU-SSDOTTSWSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001593362743 1349790574 /nfs/dbraw/zinc/79/05/74/1349790574.db2.gz XPDVGIDJGMOYKU-SSDOTTSWSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC001593371437 1349792390 /nfs/dbraw/zinc/79/23/90/1349792390.db2.gz QVHOQXDMIZXWFP-NSHDSACASA-N -1 1 329.389 2.019 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001593371915 1349793135 /nfs/dbraw/zinc/79/31/35/1349793135.db2.gz WNWYJIMZXMEGSX-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC001593387964 1349795963 /nfs/dbraw/zinc/79/59/63/1349795963.db2.gz BMRQZCQEDHKSBD-CYBMUJFWSA-N -1 1 349.350 2.271 20 0 EEADMM O=C(Oc1ccc2c(c1)CCC(=O)N2)c1sccc1-c1nn[n-]n1 ZINC001593397499 1349797359 /nfs/dbraw/zinc/79/73/59/1349797359.db2.gz XVVINGFNWBPMCD-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C1CCc2cc(Oc3cc(-c4nnn[n-]4)nc(C4CC4)n3)ccc2N1 ZINC001593397262 1349797368 /nfs/dbraw/zinc/79/73/68/1349797368.db2.gz UVGSJXTUVADWDP-UHFFFAOYSA-N -1 1 349.354 2.211 20 0 EEADMM O=C1CCc2cc(Oc3cc(-c4nn[n-]n4)nc(C4CC4)n3)ccc2N1 ZINC001593397262 1349797370 /nfs/dbraw/zinc/79/73/70/1349797370.db2.gz UVGSJXTUVADWDP-UHFFFAOYSA-N -1 1 349.354 2.211 20 0 EEADMM c1oc(-c2nnn[n-]2)cc1-c1nc(-c2nccc3c2CCCC3)no1 ZINC001593566228 1349852791 /nfs/dbraw/zinc/85/27/91/1349852791.db2.gz KFLHATXEGSKDCD-UHFFFAOYSA-N -1 1 335.327 2.451 20 0 EEADMM c1oc(-c2nn[n-]n2)cc1-c1nc(-c2nccc3c2CCCC3)no1 ZINC001593566228 1349852795 /nfs/dbraw/zinc/85/27/95/1349852795.db2.gz KFLHATXEGSKDCD-UHFFFAOYSA-N -1 1 335.327 2.451 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593573128 1349857451 /nfs/dbraw/zinc/85/74/51/1349857451.db2.gz MFYZDMOJJXHPIL-WMLDXEAASA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593573128 1349857453 /nfs/dbraw/zinc/85/74/53/1349857453.db2.gz MFYZDMOJJXHPIL-WMLDXEAASA-N -1 1 336.399 2.263 20 0 EEADMM CCC(CC)(NCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)C(=O)[O-] ZINC001595097614 1349881105 /nfs/dbraw/zinc/88/11/05/1349881105.db2.gz BGOZSZWJMYPSQI-QGZVFWFLSA-N -1 1 348.443 2.496 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001600120219 1349974373 /nfs/dbraw/zinc/97/43/73/1349974373.db2.gz HVDXAXNDPAREHT-HUUCEWRRSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001600120219 1349974374 /nfs/dbraw/zinc/97/43/74/1349974374.db2.gz HVDXAXNDPAREHT-HUUCEWRRSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@@H]2CCN2C2CCCC2)C(=O)[O-])cc1 ZINC001600378903 1350034520 /nfs/dbraw/zinc/03/45/20/1350034520.db2.gz NYORGXMRIPSGJQ-IRXDYDNUSA-N -1 1 330.428 2.296 20 0 EEADMM Cc1[nH]c(CN[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC001600434802 1350050401 /nfs/dbraw/zinc/05/04/01/1350050401.db2.gz LYPRDHVDSGAGJZ-INIZCTEOSA-N -1 1 327.384 2.225 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600587899 1350090984 /nfs/dbraw/zinc/09/09/84/1350090984.db2.gz OQDDCNKCDXQPNR-BHYGNILZSA-N -1 1 345.443 2.041 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc12 ZINC001600602536 1350095483 /nfs/dbraw/zinc/09/54/83/1350095483.db2.gz VADGVMUAYSKLOI-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001600675767 1350114701 /nfs/dbraw/zinc/11/47/01/1350114701.db2.gz PNNYQYRNHSRAJN-SNVBAGLBSA-N -1 1 342.277 2.078 20 0 EEADMM Cc1noc(C[C@H](NCc2ccc(C(=O)[O-])[nH]2)c2ccccc2)n1 ZINC001600813119 1350142424 /nfs/dbraw/zinc/14/24/24/1350142424.db2.gz IXPWBAMDTSFLAG-HNNXBMFYSA-N -1 1 326.356 2.478 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC001600829154 1350146782 /nfs/dbraw/zinc/14/67/82/1350146782.db2.gz RXVLYVZZGBGPPF-LJQANCHMSA-N -1 1 345.395 2.440 20 0 EEADMM Cc1oc(CN(C)C[C@H](O)C[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001600842355 1350149039 /nfs/dbraw/zinc/14/90/39/1350149039.db2.gz LGAFCHYRFIIWCI-PBHICJAKSA-N -1 1 333.384 2.203 20 0 EEADMM Cn1nc2ccccc2c1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601020067 1350191712 /nfs/dbraw/zinc/19/17/12/1350191712.db2.gz WHCVBCJMUZPWMA-UHFFFAOYSA-N -1 1 335.323 2.400 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)CC1CCCC1 ZINC001601652442 1350328392 /nfs/dbraw/zinc/32/83/92/1350328392.db2.gz QEEVORZKCALULC-IRXDYDNUSA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601689141 1350338253 /nfs/dbraw/zinc/33/82/53/1350338253.db2.gz KSRVZOYBZXSLTC-RDDDGLTNSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CNCc2c(F)cccc2OC(F)F)C1(F)F ZINC001601749301 1350355349 /nfs/dbraw/zinc/35/53/49/1350355349.db2.gz GAUGGFXHQPYNLY-XCBNKYQSSA-N -1 1 325.233 2.483 20 0 EEADMM O=C([O-])[C@@H]1CC(=O)N(CN2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC001601759684 1350358268 /nfs/dbraw/zinc/35/82/68/1350358268.db2.gz WJXUNSMOJQIHNT-DZGCQCFKSA-N -1 1 334.391 2.286 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001601771454 1350360445 /nfs/dbraw/zinc/36/04/45/1350360445.db2.gz FGGNQRHPPMPOIK-CRAIPNDOSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC001601809832 1350369352 /nfs/dbraw/zinc/36/93/52/1350369352.db2.gz JGUBEOLXBHYJOA-QWHCGFSZSA-N -1 1 347.383 2.341 20 0 EEADMM O=C([O-])/C=C\c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001601874467 1350386960 /nfs/dbraw/zinc/38/69/60/1350386960.db2.gz QKCQQBBIXONEHX-SOIVGHGOSA-N -1 1 340.379 2.034 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCCN2CCCC[C@@H]2C2OCCO2)cc1 ZINC001601882150 1350389383 /nfs/dbraw/zinc/38/93/83/1350389383.db2.gz FOLYEARDUYQOKT-RCMYXZNBSA-N -1 1 347.411 2.391 20 0 EEADMM O=C([O-])CCCN1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 ZINC001601991043 1350412766 /nfs/dbraw/zinc/41/27/66/1350412766.db2.gz QSSUUKJBZUXPJT-UHFFFAOYSA-N -1 1 336.354 2.261 20 0 EEADMM O=C([O-])CN1CCN(C(=O)CCCCc2ccc(Cl)cc2)CC1 ZINC001602063561 1350429985 /nfs/dbraw/zinc/42/99/85/1350429985.db2.gz YVEZOWRFIKEICK-UHFFFAOYSA-N -1 1 338.835 2.282 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1F ZINC001602125363 1350445286 /nfs/dbraw/zinc/44/52/86/1350445286.db2.gz CGEDKPCNXLAZHB-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])Cc1ccccc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC001602144369 1350449737 /nfs/dbraw/zinc/44/97/37/1350449737.db2.gz QIAGNROSTVMLGW-KRWDZBQOSA-N -1 1 330.428 2.291 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(Cc2cc(CO)ccc2F)C1 ZINC001602219154 1350469334 /nfs/dbraw/zinc/46/93/34/1350469334.db2.gz NVDVDENZVSKIFV-NWDGAFQWSA-N -1 1 335.297 2.403 20 0 EEADMM O=C([O-])c1cc(CN2CCC(O[C@@H]3CCOC3)CC2)n2c1CCCC2 ZINC001602256590 1350479425 /nfs/dbraw/zinc/47/94/25/1350479425.db2.gz JXXOJZSCWQAUNN-MRXNPFEDSA-N -1 1 348.443 2.293 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NCc2ccc(C3CCC3)cc2)on1 ZINC001602296692 1350487552 /nfs/dbraw/zinc/48/75/52/1350487552.db2.gz OGFSXVRLYASRPO-UHFFFAOYSA-N -1 1 336.369 2.119 20 0 EEADMM CC(=O)Nc1cccc2c1CCN(c1nc(-c3nnn[n-]3)ccc1C)C2 ZINC001602955693 1350610790 /nfs/dbraw/zinc/61/07/90/1350610790.db2.gz BTISYBZBXZYOJC-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1cccc2c1CCN(c1nc(-c3nn[n-]n3)ccc1C)C2 ZINC001602955693 1350610793 /nfs/dbraw/zinc/61/07/93/1350610793.db2.gz BTISYBZBXZYOJC-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(C)(C)CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(N)=O ZINC001603071385 1350633022 /nfs/dbraw/zinc/63/30/22/1350633022.db2.gz MJKFNZGBNSPLPA-SECBINFHSA-N -1 1 337.815 2.007 20 0 EEADMM CC(C)(C)CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(N)=O ZINC001603071385 1350633029 /nfs/dbraw/zinc/63/30/29/1350633029.db2.gz MJKFNZGBNSPLPA-SECBINFHSA-N -1 1 337.815 2.007 20 0 EEADMM CC(=O)Nc1cccc2c1CN(C[C@H]1CC(C(=O)[O-])=C(C)O1)CC2 ZINC001603082288 1350635526 /nfs/dbraw/zinc/63/55/26/1350635526.db2.gz GDMVMKFUGUHCPK-CQSZACIVSA-N -1 1 330.384 2.151 20 0 EEADMM CC(C)[C@H](CNc1cccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001603223682 1350664920 /nfs/dbraw/zinc/66/49/20/1350664920.db2.gz NXTWGDSGKOVUBP-LBPRGKRZSA-N -1 1 347.423 2.223 20 0 EEADMM CC(C)[C@H](CNc1cccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001603223682 1350664925 /nfs/dbraw/zinc/66/49/25/1350664925.db2.gz NXTWGDSGKOVUBP-LBPRGKRZSA-N -1 1 347.423 2.223 20 0 EEADMM CC(C)Cc1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n[nH]1 ZINC001603307632 1350684342 /nfs/dbraw/zinc/68/43/42/1350684342.db2.gz GDXLXLHMHDSPML-UHFFFAOYSA-N -1 1 347.329 2.319 20 0 EEADMM CC(C)Cc1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n[nH]1 ZINC001603307632 1350684345 /nfs/dbraw/zinc/68/43/45/1350684345.db2.gz GDXLXLHMHDSPML-UHFFFAOYSA-N -1 1 347.329 2.319 20 0 EEADMM C[C@@H](CC(=O)OC(C)(C)C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603449762 1350706750 /nfs/dbraw/zinc/70/67/50/1350706750.db2.gz YKTJRZMNTXRFOZ-QMMMGPOBSA-N -1 1 338.799 2.447 20 0 EEADMM C[C@@H](CC(=O)OC(C)(C)C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603449762 1350706752 /nfs/dbraw/zinc/70/67/52/1350706752.db2.gz YKTJRZMNTXRFOZ-QMMMGPOBSA-N -1 1 338.799 2.447 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1[C@@H]1CCCO1 ZINC001603785400 1350767233 /nfs/dbraw/zinc/76/72/33/1350767233.db2.gz WYLZEBNZXVOBGT-GXTWGEPZSA-N -1 1 345.378 2.035 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1[C@@H]1CCCO1 ZINC001603785400 1350767239 /nfs/dbraw/zinc/76/72/39/1350767239.db2.gz WYLZEBNZXVOBGT-GXTWGEPZSA-N -1 1 345.378 2.035 20 0 EEADMM CC1CCC(C)(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001603874991 1350788799 /nfs/dbraw/zinc/78/87/99/1350788799.db2.gz WCWBVQFOWLLWDZ-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM CC1CCC(C)(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001603874991 1350788804 /nfs/dbraw/zinc/78/88/04/1350788804.db2.gz WCWBVQFOWLLWDZ-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1C[C@@H]1N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001603872810 1350789307 /nfs/dbraw/zinc/78/93/07/1350789307.db2.gz VKRJLVMIQHDFLK-WBMJQRKESA-N -1 1 334.383 2.246 20 0 EEADMM C[C@@H]1C[C@@H]1N(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001603872810 1350789310 /nfs/dbraw/zinc/78/93/10/1350789310.db2.gz VKRJLVMIQHDFLK-WBMJQRKESA-N -1 1 334.383 2.246 20 0 EEADMM CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H](C(=O)[O-])[C@@H](C)O)n[nH]1 ZINC001603985613 1350820522 /nfs/dbraw/zinc/82/05/22/1350820522.db2.gz VLBPTQHLZAXKIT-WBMJQRKESA-N -1 1 345.399 2.010 20 0 EEADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(OC)c(OC)c1 ZINC001604065291 1350844802 /nfs/dbraw/zinc/84/48/02/1350844802.db2.gz UTQYDWGZGFKYMR-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(OC)c(OC)c1 ZINC001604065291 1350844806 /nfs/dbraw/zinc/84/48/06/1350844806.db2.gz UTQYDWGZGFKYMR-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CCCCOc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001604189056 1350889096 /nfs/dbraw/zinc/88/90/96/1350889096.db2.gz KGZXLUGHBUVWFQ-UHFFFAOYSA-N -1 1 341.375 2.031 20 0 EEADMM CCCCOc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001604189056 1350889099 /nfs/dbraw/zinc/88/90/99/1350889099.db2.gz KGZXLUGHBUVWFQ-UHFFFAOYSA-N -1 1 341.375 2.031 20 0 EEADMM C[C@@H](Cc1ccc(NC(=O)c2cc(C(C)(C)N)no2)cc1)C(=O)[O-] ZINC001604228949 1350898794 /nfs/dbraw/zinc/89/87/94/1350898794.db2.gz PVPHHGBKJBOJFQ-JTQLQIEISA-N -1 1 331.372 2.384 20 0 EEADMM C[C@@H](N[C@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001604318404 1350914282 /nfs/dbraw/zinc/91/42/82/1350914282.db2.gz JLZKPWSBJYIKRP-PELKAZGASA-N -1 1 330.306 2.485 20 0 EEADMM CC(C)[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])C(=O)N1CCCC1 ZINC001604357818 1350922822 /nfs/dbraw/zinc/92/28/22/1350922822.db2.gz PZCWANGYFHHPFY-KSSFIOAISA-N -1 1 348.443 2.448 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C1(CC)CC ZINC001604408422 1350931664 /nfs/dbraw/zinc/93/16/64/1350931664.db2.gz HZVNUYJGMOVEEL-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C1(CC)CC ZINC001604408422 1350931667 /nfs/dbraw/zinc/93/16/67/1350931667.db2.gz HZVNUYJGMOVEEL-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM C[C@@H](Oc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1F)C(=O)[O-] ZINC001604438123 1350938050 /nfs/dbraw/zinc/93/80/50/1350938050.db2.gz GNIBKRHSXZHKSL-IAQYHMDHSA-N -1 1 346.358 2.186 20 0 EEADMM C[C@@H](c1ccc(C(=O)N2CCN(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC001604460154 1350942264 /nfs/dbraw/zinc/94/22/64/1350942264.db2.gz IRGSGWQFBNBYFO-NSHDSACASA-N -1 1 344.333 2.195 20 0 EEADMM CC1(C)C(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])[C@H]1c1ccncc1 ZINC001604505713 1350950735 /nfs/dbraw/zinc/95/07/35/1350950735.db2.gz HJHLCZIWVVWSFL-ZBFHGGJFSA-N -1 1 331.416 2.278 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H](C)Cc2cccc(F)c2)n1 ZINC001604543181 1350958356 /nfs/dbraw/zinc/95/83/56/1350958356.db2.gz RPGLLVKCLDNWDG-LLVKDONJSA-N -1 1 341.394 2.426 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H](C)Cc2cccc(F)c2)n1 ZINC001604543181 1350958361 /nfs/dbraw/zinc/95/83/61/1350958361.db2.gz RPGLLVKCLDNWDG-LLVKDONJSA-N -1 1 341.394 2.426 20 0 EEADMM CCc1nc(NCCCSc2ccccn2)cc(-c2nnn[n-]2)n1 ZINC001604566023 1350961564 /nfs/dbraw/zinc/96/15/64/1350961564.db2.gz LDQWNDGACKZJLA-UHFFFAOYSA-N -1 1 342.432 2.208 20 0 EEADMM CCc1nc(NCCCSc2ccccn2)cc(-c2nn[n-]n2)n1 ZINC001604566023 1350961567 /nfs/dbraw/zinc/96/15/67/1350961567.db2.gz LDQWNDGACKZJLA-UHFFFAOYSA-N -1 1 342.432 2.208 20 0 EEADMM CN(C)c1cccc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001604702227 1350987950 /nfs/dbraw/zinc/98/79/50/1350987950.db2.gz MFWCUOBZPLDEMT-UHFFFAOYSA-N -1 1 336.403 2.212 20 0 EEADMM CN(C)c1cccc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001604702227 1350987951 /nfs/dbraw/zinc/98/79/51/1350987951.db2.gz MFWCUOBZPLDEMT-UHFFFAOYSA-N -1 1 336.403 2.212 20 0 EEADMM CN(CC(=O)C(C)(C)C)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001604707799 1350989055 /nfs/dbraw/zinc/98/90/55/1350989055.db2.gz FUROZHARUARMRE-UHFFFAOYSA-N -1 1 340.387 2.035 20 0 EEADMM C[C@@H]1CCc2ccccc2N1C(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001604762905 1350998663 /nfs/dbraw/zinc/99/86/63/1350998663.db2.gz BGCLWMSZRVGHPH-HIFRSBDPSA-N -1 1 348.468 2.104 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1cccc(F)c1 ZINC001604795745 1351006682 /nfs/dbraw/zinc/00/66/82/1351006682.db2.gz ZWXMLNSXXUFEOT-NSHDSACASA-N -1 1 325.409 2.003 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604810308 1351012154 /nfs/dbraw/zinc/01/21/54/1351012154.db2.gz MQTOWUGQHGDDRH-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604810308 1351012157 /nfs/dbraw/zinc/01/21/57/1351012157.db2.gz MQTOWUGQHGDDRH-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM COC(=O)[C@H](C)CSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604902346 1351028498 /nfs/dbraw/zinc/02/84/98/1351028498.db2.gz HDOBFIXSDBAMRE-ZCFIWIBFSA-N -1 1 347.322 2.182 20 0 EEADMM COC(=O)[C@H](C)CSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604902346 1351028501 /nfs/dbraw/zinc/02/85/01/1351028501.db2.gz HDOBFIXSDBAMRE-ZCFIWIBFSA-N -1 1 347.322 2.182 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001604929704 1351033786 /nfs/dbraw/zinc/03/37/86/1351033786.db2.gz YKMKWWWMOITWKY-QILLFSRXSA-N -1 1 332.444 2.482 20 0 EEADMM CC[C@@H](N[C@@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC001605091064 1351076400 /nfs/dbraw/zinc/07/64/00/1351076400.db2.gz IZXXNNSFFSVDGI-CABCVRRESA-N -1 1 347.440 2.454 20 0 EEADMM COCCCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605090917 1351076614 /nfs/dbraw/zinc/07/66/14/1351076614.db2.gz DMHOHNXJEVUEPM-UHFFFAOYSA-N -1 1 343.343 2.127 20 0 EEADMM COc1ccc([C@@H](C)N(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001605263307 1351119066 /nfs/dbraw/zinc/11/90/66/1351119066.db2.gz LAMXPIVPNCPGIS-LLVKDONJSA-N -1 1 325.376 2.171 20 0 EEADMM COc1ccc([C@@H](C)N(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001605263307 1351119068 /nfs/dbraw/zinc/11/90/68/1351119068.db2.gz LAMXPIVPNCPGIS-LLVKDONJSA-N -1 1 325.376 2.171 20 0 EEADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605332930 1351138534 /nfs/dbraw/zinc/13/85/34/1351138534.db2.gz SPLBUFHDUYEQRM-NSHDSACASA-N -1 1 341.371 2.172 20 0 EEADMM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605332930 1351138537 /nfs/dbraw/zinc/13/85/37/1351138537.db2.gz SPLBUFHDUYEQRM-NSHDSACASA-N -1 1 341.371 2.172 20 0 EEADMM COc1nc(C)cc(C)c1CNc1nc(-c2nn[n-]n2)ccc1C ZINC001605344127 1351141888 /nfs/dbraw/zinc/14/18/88/1351141888.db2.gz JGJGDUOFMBIPBL-UHFFFAOYSA-N -1 1 325.376 2.203 20 0 EEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001605403840 1351154413 /nfs/dbraw/zinc/15/44/13/1351154413.db2.gz VNTSZCHJYAXMBP-LLVKDONJSA-N -1 1 341.346 2.262 20 0 EEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001605403840 1351154416 /nfs/dbraw/zinc/15/44/16/1351154416.db2.gz VNTSZCHJYAXMBP-LLVKDONJSA-N -1 1 341.346 2.262 20 0 EEADMM C[Si](C)(C)c1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605451821 1351161494 /nfs/dbraw/zinc/16/14/94/1351161494.db2.gz YOIXMDOQEZXXHQ-UHFFFAOYSA-N -1 1 338.491 2.462 20 0 EEADMM C[Si](C)(C)c1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605451821 1351161496 /nfs/dbraw/zinc/16/14/96/1351161496.db2.gz YOIXMDOQEZXXHQ-UHFFFAOYSA-N -1 1 338.491 2.462 20 0 EEADMM Cc1c(C(=O)OCc2cccnc2-c2nnn[n-]2)cnc2ccccc12 ZINC001605483445 1351169044 /nfs/dbraw/zinc/16/90/44/1351169044.db2.gz CGMPTWRGBPITTM-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1c(C(=O)OCc2cccnc2-c2nn[n-]n2)cnc2ccccc12 ZINC001605483445 1351169047 /nfs/dbraw/zinc/16/90/47/1351169047.db2.gz CGMPTWRGBPITTM-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nn[n-]n1 ZINC001605667569 1351214111 /nfs/dbraw/zinc/21/41/11/1351214111.db2.gz VVPNIQJTAZJEFX-UHFFFAOYSA-N -1 1 331.767 2.421 20 0 EEADMM CCc1cccc(C)c1NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001605826896 1351230209 /nfs/dbraw/zinc/23/02/09/1351230209.db2.gz DWTOEZBQHABZHN-AWEZNQCLSA-N -1 1 336.457 2.246 20 0 EEADMM Cc1ccc(NCC2(C)CCC3(CC2)OCCO3)c(-c2nnn[n-]2)n1 ZINC001605874087 1351243123 /nfs/dbraw/zinc/24/31/23/1351243123.db2.gz ICNAWXDHTYMFCU-UHFFFAOYSA-N -1 1 344.419 2.305 20 0 EEADMM Cc1ccc(NCC2(C)CCC3(CC2)OCCO3)c(-c2nn[n-]n2)n1 ZINC001605874087 1351243126 /nfs/dbraw/zinc/24/31/26/1351243126.db2.gz ICNAWXDHTYMFCU-UHFFFAOYSA-N -1 1 344.419 2.305 20 0 EEADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)sc1C ZINC001606061296 1351267341 /nfs/dbraw/zinc/26/73/41/1351267341.db2.gz ZZRFGDCAJGTPOR-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2c(F)cccc2C1 ZINC001606165262 1351280099 /nfs/dbraw/zinc/28/00/99/1351280099.db2.gz BPUZQHRPGAJWKT-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2c(F)cccc2C1 ZINC001606165262 1351280101 /nfs/dbraw/zinc/28/01/01/1351280101.db2.gz BPUZQHRPGAJWKT-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM Clc1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)ccn1 ZINC001606188574 1351283793 /nfs/dbraw/zinc/28/37/93/1351283793.db2.gz WLZWGBWNGJRESM-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Clc1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)ccn1 ZINC001606188574 1351283796 /nfs/dbraw/zinc/28/37/96/1351283796.db2.gz WLZWGBWNGJRESM-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Clc1sc(N2CCC(c3c[nH]cn3)CC2)nc1-c1nn[n-]n1 ZINC001606200891 1351284715 /nfs/dbraw/zinc/28/47/15/1351284715.db2.gz JZNCABVUELOMBN-UHFFFAOYSA-N -1 1 336.812 2.084 20 0 EEADMM FC(F)CN1CCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001606298106 1351290290 /nfs/dbraw/zinc/29/02/90/1351290290.db2.gz DVMZFYWHKVFVJJ-LURJTMIESA-N -1 1 349.798 2.118 20 0 EEADMM FC(F)CN1CCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001606298106 1351290293 /nfs/dbraw/zinc/29/02/93/1351290293.db2.gz DVMZFYWHKVFVJJ-LURJTMIESA-N -1 1 349.798 2.118 20 0 EEADMM O=C(COc1ccc(Cl)cc1)OCc1cccnc1-c1nnn[n-]1 ZINC001606572431 1351324419 /nfs/dbraw/zinc/32/44/19/1351324419.db2.gz QPCVJQSZQBUZDX-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(COc1ccc(Cl)cc1)OCc1cccnc1-c1nn[n-]n1 ZINC001606572431 1351324422 /nfs/dbraw/zinc/32/44/22/1351324422.db2.gz QPCVJQSZQBUZDX-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCCC12CCCC2 ZINC001606594187 1351328555 /nfs/dbraw/zinc/32/85/55/1351328555.db2.gz FPURFSNHGJPTRX-HNNXBMFYSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCCC12CCCC2 ZINC001606594187 1351328558 /nfs/dbraw/zinc/32/85/58/1351328558.db2.gz FPURFSNHGJPTRX-HNNXBMFYSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc(C2CCCCC2)cc1 ZINC001606617527 1351332653 /nfs/dbraw/zinc/33/26/53/1351332653.db2.gz RUNLTJGVLJGHTN-UHFFFAOYSA-N -1 1 337.387 2.389 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)c1ccccc1F ZINC001606617142 1351332694 /nfs/dbraw/zinc/33/26/94/1351332694.db2.gz DHFXYUFKEVNFAT-UHFFFAOYSA-N -1 1 349.325 2.204 20 0 EEADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)c1cccs1 ZINC001606625582 1351333845 /nfs/dbraw/zinc/33/38/45/1351333845.db2.gz LDGVYEVOEHYTNW-UHFFFAOYSA-N -1 1 337.368 2.070 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637810 1351335520 /nfs/dbraw/zinc/33/55/20/1351335520.db2.gz GDJKGYUBCHSDBG-WFASDCNBSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637810 1351335521 /nfs/dbraw/zinc/33/55/21/1351335521.db2.gz GDJKGYUBCHSDBG-WFASDCNBSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606684039 1351342334 /nfs/dbraw/zinc/34/23/34/1351342334.db2.gz BWFWLWAJRLSJAE-GFCCVEGCSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606684039 1351342335 /nfs/dbraw/zinc/34/23/35/1351342335.db2.gz BWFWLWAJRLSJAE-GFCCVEGCSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(NCCCC(F)(F)F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606763696 1351353237 /nfs/dbraw/zinc/35/32/37/1351353237.db2.gz JMNJHBFUWSFWIQ-UHFFFAOYSA-N -1 1 334.327 2.070 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cccnc1Cl ZINC001606831069 1351363816 /nfs/dbraw/zinc/36/38/16/1351363816.db2.gz QRXGCYUVWQNGAV-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2cc(=O)[nH]cc21 ZINC001606897567 1351371568 /nfs/dbraw/zinc/37/15/68/1351371568.db2.gz OITPONOGBOMUQJ-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-c2cn[nH]c2)cc1 ZINC001606897795 1351371759 /nfs/dbraw/zinc/37/17/59/1351371759.db2.gz RSYDQXMRJDFIMP-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(C2CCCCC2)[nH]n1 ZINC001606953482 1351383535 /nfs/dbraw/zinc/38/35/35/1351383535.db2.gz RYHUBNSMVJYTMQ-UHFFFAOYSA-N -1 1 344.404 2.346 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(C2CCCCC2)[nH]n1 ZINC001606953482 1351383536 /nfs/dbraw/zinc/38/35/36/1351383536.db2.gz RYHUBNSMVJYTMQ-UHFFFAOYSA-N -1 1 344.404 2.346 20 0 EEADMM O=C(OC[C@H]1CCO[C@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606968269 1351386644 /nfs/dbraw/zinc/38/66/44/1351386644.db2.gz WYTAZBXZUJMZLP-DOMZBBRYSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OC[C@H]1CCO[C@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606968269 1351386649 /nfs/dbraw/zinc/38/66/49/1351386649.db2.gz WYTAZBXZUJMZLP-DOMZBBRYSA-N -1 1 340.339 2.394 20 0 EEADMM O=Cc1cccc(Oc2nnccc2-c2nnn[n-]2)c1Br ZINC001607056874 1351405133 /nfs/dbraw/zinc/40/51/33/1351405133.db2.gz VOHAJDXKNXLVAL-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cccc(Oc2nnccc2-c2nn[n-]n2)c1Br ZINC001607056874 1351405135 /nfs/dbraw/zinc/40/51/35/1351405135.db2.gz VOHAJDXKNXLVAL-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@H]1CCC2(CCC2)O1 ZINC001607090689 1351414403 /nfs/dbraw/zinc/41/44/03/1351414403.db2.gz VIBGGLQKPANFKA-GFCCVEGCSA-N -1 1 337.383 2.283 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC001607097405 1351416592 /nfs/dbraw/zinc/41/65/92/1351416592.db2.gz PKVKVFNNWHXQMU-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC001607097405 1351416594 /nfs/dbraw/zinc/41/65/94/1351416594.db2.gz PKVKVFNNWHXQMU-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM COc1ccc([C@@H](NCc2cccc3c2OCC3)C(=O)[O-])cc1O ZINC001607234906 1351455178 /nfs/dbraw/zinc/45/51/78/1351455178.db2.gz PQSCJEALBYSVQE-MRXNPFEDSA-N -1 1 329.352 2.251 20 0 EEADMM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2[nH]nc(C)c2C)c1 ZINC001607311536 1351470565 /nfs/dbraw/zinc/47/05/65/1351470565.db2.gz CAUBIQBIGXTOSF-QGZVFWFLSA-N -1 1 331.372 2.155 20 0 EEADMM COc1nsc(CN(Cc2ccccc2)C[C@H](C)O)c1C(=O)[O-] ZINC001607362742 1351482806 /nfs/dbraw/zinc/48/28/06/1351482806.db2.gz FPIGCHOFLOJXQX-NSHDSACASA-N -1 1 336.413 2.233 20 0 EEADMM CSCc1n[nH]c(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC001607402012 1351488063 /nfs/dbraw/zinc/48/80/63/1351488063.db2.gz QWFNNUORNKRVDE-VIFPVBQESA-N -1 1 349.416 2.178 20 0 EEADMM CSCc1nnc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[nH]1 ZINC001607402012 1351488066 /nfs/dbraw/zinc/48/80/66/1351488066.db2.gz QWFNNUORNKRVDE-VIFPVBQESA-N -1 1 349.416 2.178 20 0 EEADMM C[C@@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@H]1C(=O)[O-] ZINC001607439060 1351494666 /nfs/dbraw/zinc/49/46/66/1351494666.db2.gz XFEKQAVRAIWHEK-BXKDBHETSA-N -1 1 338.770 2.212 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)nc2ccccc12 ZINC001607572242 1351518126 /nfs/dbraw/zinc/51/81/26/1351518126.db2.gz ZFHYVJGDHRPTRP-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cc(CN[C@H](CN2CCOCC2)c2ccccc2)oc1C(=O)[O-] ZINC001607646847 1351532501 /nfs/dbraw/zinc/53/25/01/1351532501.db2.gz KGRLMUZNKWRTKG-QGZVFWFLSA-N -1 1 344.411 2.449 20 0 EEADMM Cc1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])ncn1 ZINC001607649647 1351532992 /nfs/dbraw/zinc/53/29/92/1351532992.db2.gz JYAYAFGUXIZJIJ-UHFFFAOYSA-N -1 1 328.347 2.404 20 0 EEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3ccccc3C(=O)[O-])ccc12 ZINC001607939092 1351589839 /nfs/dbraw/zinc/58/98/39/1351589839.db2.gz GYOKNKKGSGXFKL-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1oc(CN(C)C(=O)c2cc(Br)[nH]n2)cc1C(=O)[O-] ZINC001608045103 1351613001 /nfs/dbraw/zinc/61/30/01/1351613001.db2.gz VWJUVPNARCILRN-UHFFFAOYSA-N -1 1 342.149 2.044 20 0 EEADMM Cn1cc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1C(=O)[O-] ZINC001608115374 1351628587 /nfs/dbraw/zinc/62/85/87/1351628587.db2.gz SURROGUXTWWBPG-INIZCTEOSA-N -1 1 341.411 2.177 20 0 EEADMM COc1ccccc1-c1cc(C(=O)[N-]c2nc3cnccn3n2)no1 ZINC001624392753 1352420373 /nfs/dbraw/zinc/42/03/73/1352420373.db2.gz VHMSMIPAELUKHW-UHFFFAOYSA-N -1 1 336.311 2.040 20 0 EEADMM CCOc1ccc(NC(=O)CCCc2nn[n-]n2)c2ncccc12 ZINC001633539669 1352611824 /nfs/dbraw/zinc/61/18/24/1352611824.db2.gz QFNOMTAXLNAJBK-UHFFFAOYSA-N -1 1 326.360 2.108 20 0 EEADMM Cc1ccc(F)c(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001642558375 1352733919 /nfs/dbraw/zinc/73/39/19/1352733919.db2.gz USFWSEKNDYXTQV-INIZCTEOSA-N -1 1 325.347 2.096 20 0 EEADMM O=C([O-])C[C@H]1COCCN1CCc1ccc(OC(F)(F)F)cc1 ZINC001649865988 1353630706 /nfs/dbraw/zinc/63/07/06/1353630706.db2.gz YOBTXFSYHLUXKA-LBPRGKRZSA-N -1 1 333.306 2.303 20 0 EEADMM C[C@H]1CC(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C[C@H](C)C1 ZINC001649960885 1353665356 /nfs/dbraw/zinc/66/53/56/1353665356.db2.gz SNUYBRKVFFHKSO-NXEZZACHSA-N -1 1 335.370 2.131 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccc(F)cc1 ZINC000096743669 1358001904 /nfs/dbraw/zinc/00/19/04/1358001904.db2.gz JXQYNVFWIQCGOW-UHFFFAOYSA-N -1 1 329.299 2.265 20 0 EEADMM O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650583358 1354004989 /nfs/dbraw/zinc/00/49/89/1354004989.db2.gz YGCFVPKDJYINAY-SECBINFHSA-N -1 1 326.187 2.065 20 0 EEADMM COC(=O)c1c[n-]c(SCc2nc3cc(C(=O)OC)ccc3[nH]2)n1 ZINC001651933992 1354071101 /nfs/dbraw/zinc/07/11/01/1354071101.db2.gz XBZKREQVELOCAW-UHFFFAOYSA-N -1 1 346.368 2.152 20 0 EEADMM Cc1nccc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)n1 ZINC001666571906 1355546406 /nfs/dbraw/zinc/54/64/06/1355546406.db2.gz QJKXCXPZDLLVIS-UHFFFAOYSA-N -1 1 346.437 2.387 20 0 EEADMM O=C(Nc1cccc(-c2ncco2)c1)N1CCC(c2nn[n-]n2)CC1 ZINC001668456693 1355945103 /nfs/dbraw/zinc/94/51/03/1355945103.db2.gz ONXVDZFWTGXQTJ-UHFFFAOYSA-N -1 1 339.359 2.266 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c(C)c1 ZINC001185555584 1368159073 /nfs/dbraw/zinc/15/90/73/1368159073.db2.gz BPFUINNRKWQAQR-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2nc(OC)cnc2Cl)c(OC)c1 ZINC001190110581 1368394675 /nfs/dbraw/zinc/39/46/75/1368394675.db2.gz UKVFXUGSLLZIRB-UHFFFAOYSA-N -1 1 339.735 2.114 20 0 EEADMM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001196699294 1368603999 /nfs/dbraw/zinc/60/39/99/1368603999.db2.gz WDWRZKQVIVXYQQ-UHFFFAOYSA-N -1 1 339.142 2.321 20 0 EEADMM Cc1ccc(F)c(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001487920809 1368736210 /nfs/dbraw/zinc/73/62/10/1368736210.db2.gz LEJDNFRKQLEQHU-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM COc1cnccc1CC[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201768504 1368842343 /nfs/dbraw/zinc/84/23/43/1368842343.db2.gz DVVPRFROEZQTPR-UHFFFAOYSA-N -1 1 347.849 2.030 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)CCCC2CC2)C1 ZINC001488571508 1369020981 /nfs/dbraw/zinc/02/09/81/1369020981.db2.gz HAXGOWGLIIANIC-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM CCC1(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])CCC1 ZINC001488785365 1369068437 /nfs/dbraw/zinc/06/84/37/1369068437.db2.gz WPATVUZOMKAZHX-STQMWFEESA-N -1 1 333.432 2.381 20 0 EEADMM O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000107770691 1369152793 /nfs/dbraw/zinc/15/27/93/1369152793.db2.gz DFNTYMALXIWQLI-GFCCVEGCSA-N -1 1 326.274 2.269 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCCS(=O)(=O)C[C@@H]1C1CC1 ZINC000888511011 1369495369 /nfs/dbraw/zinc/49/53/69/1369495369.db2.gz ZSHZSIRWRRARDC-GFCCVEGCSA-N -1 1 343.832 2.085 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNc2ncc(Cl)cn2)C1)c1ncccc1[O-] ZINC001069461575 1370133194 /nfs/dbraw/zinc/13/31/94/1370133194.db2.gz QEKDTRIEEXXLEY-JQWIXIFHSA-N -1 1 347.806 2.241 20 0 EEADMM CCC1(NC(C)=O)CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001069509891 1370162036 /nfs/dbraw/zinc/16/20/36/1370162036.db2.gz WBXHENFIZRMMPB-UHFFFAOYSA-N -1 1 348.447 2.135 20 0 EEADMM Cc1oc(-c2ccccc2)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1C ZINC000781423652 1371228327 /nfs/dbraw/zinc/22/83/27/1371228327.db2.gz YNHDBURLTFQSJI-UHFFFAOYSA-N -1 1 327.340 2.342 20 0 EEADMM C[C@H]1c2ccccc2CN1CCCN1C(=O)CS/C1=C/C(=O)[O-] ZINC000828528191 1372245529 /nfs/dbraw/zinc/24/55/29/1372245529.db2.gz RUXSMQDDQSRFLG-RGZVIEDOSA-N -1 1 332.425 2.455 20 0 EEADMM Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c2c1CCC2 ZINC000831120979 1372364937 /nfs/dbraw/zinc/36/49/37/1372364937.db2.gz FNTTZXTXMWHQMF-UHFFFAOYSA-N -1 1 340.345 2.234 20 0 EEADMM Cc1[nH]c(CN2CC[C@@H](Oc3nccnc3C)C2)c(C)c1C(=O)[O-] ZINC001140499316 1372588725 /nfs/dbraw/zinc/58/87/25/1372588725.db2.gz PFKBSOIVXLDPLZ-CYBMUJFWSA-N -1 1 330.388 2.081 20 0 EEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCCc2ccccc21)N(C)C ZINC000835587974 1372636440 /nfs/dbraw/zinc/63/64/40/1372636440.db2.gz DPSGUCDYBZROQR-JKSUJKDBSA-N -1 1 338.473 2.096 20 0 EEADMM CC1(C)C[C@@](C)(NC(=O)c2cc(Br)ccc2[O-])C(=O)O1 ZINC000848154695 1373093409 /nfs/dbraw/zinc/09/34/09/1373093409.db2.gz PMVBZZGPPSYRNI-CQSZACIVSA-N -1 1 342.189 2.369 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccc([O-])cc1F ZINC000848335228 1373134230 /nfs/dbraw/zinc/13/42/30/1373134230.db2.gz ZSOGBYIVTVWIDX-VIFPVBQESA-N -1 1 348.296 2.062 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)[C@H](C)CSC(F)(F)F)[n-]1 ZINC001361649519 1373322758 /nfs/dbraw/zinc/32/27/58/1373322758.db2.gz JYLCCKCVRQRVLE-ZCFIWIBFSA-N -1 1 325.312 2.414 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)CSC(F)(F)F)n1 ZINC001361649519 1373322765 /nfs/dbraw/zinc/32/27/65/1373322765.db2.gz JYLCCKCVRQRVLE-ZCFIWIBFSA-N -1 1 325.312 2.414 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c(=O)[n-]1 ZINC001362125432 1373368431 /nfs/dbraw/zinc/36/84/31/1373368431.db2.gz CHPMOEODCVEGAU-LBPRGKRZSA-N -1 1 347.396 2.324 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001362438350 1373410424 /nfs/dbraw/zinc/41/04/24/1373410424.db2.gz SBWAAPWOUGGEOS-ZDUSSCGKSA-N -1 1 337.420 2.456 20 0 EEADMM CSc1nc(CNC(=O)Cc2ccc(O)c(Cl)c2)cc(=O)[n-]1 ZINC001362962746 1373473870 /nfs/dbraw/zinc/47/38/70/1373473870.db2.gz BKIIFIONBMGMGI-UHFFFAOYSA-N -1 1 339.804 2.122 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1F)c1c(F)cccc1F ZINC001364887593 1373625878 /nfs/dbraw/zinc/62/58/78/1373625878.db2.gz MBFDHQTZTULRJS-UHFFFAOYSA-N -1 1 347.289 2.404 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001389811574 1388309561 /nfs/dbraw/zinc/30/95/61/1388309561.db2.gz CJNHFPKHANSEKT-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC1(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])CCC1 ZINC001370475352 1374955265 /nfs/dbraw/zinc/95/52/65/1374955265.db2.gz VDFAOWOPEZCDHD-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCCC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001372203857 1375853149 /nfs/dbraw/zinc/85/31/49/1375853149.db2.gz ZLVDAXYOWAOLDZ-KBPBESRZSA-N -1 1 333.432 2.477 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2cscn2)C1 ZINC001373085860 1376399243 /nfs/dbraw/zinc/39/92/43/1376399243.db2.gz CCOWLRYZJDSSED-CQSZACIVSA-N -1 1 346.456 2.370 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)ccc1C ZINC001375062226 1377330984 /nfs/dbraw/zinc/33/09/84/1377330984.db2.gz XUHGACDMCVDYCO-ZDUSSCGKSA-N -1 1 345.374 2.173 20 0 EEADMM CC(C)c1ccsc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001380900789 1381430453 /nfs/dbraw/zinc/43/04/53/1381430453.db2.gz XCXWOVMFAKCHRN-UHFFFAOYSA-N -1 1 349.460 2.138 20 0 EEADMM CCCC1(C(=O)N(C)[C@H](CNC(=O)c2ncccc2[O-])C2CC2)CC1 ZINC001381773080 1381789546 /nfs/dbraw/zinc/78/95/46/1381789546.db2.gz KHJOUHGPJYXYGP-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385254587 1385403867 /nfs/dbraw/zinc/40/38/67/1385403867.db2.gz QADOWMUTWQZJDD-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM CCCC[C@H](C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001385418172 1385551778 /nfs/dbraw/zinc/55/17/78/1385551778.db2.gz ZDXNDRMAPKJRGW-AWEZNQCLSA-N -1 1 333.432 2.288 20 0 EEADMM CCCN(CCNC(=O)C1C=CC=CC=C1)C(=O)c1ncccc1[O-] ZINC001387426795 1386725566 /nfs/dbraw/zinc/72/55/66/1386725566.db2.gz UGJZFRDGAFFLDP-UHFFFAOYSA-N -1 1 341.411 2.054 20 0 EEADMM CCCC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CC1 ZINC001387481670 1386767522 /nfs/dbraw/zinc/76/75/22/1386767522.db2.gz LLQHWMYXSTVDES-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)(CC(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1)C1CC1 ZINC001387489052 1386772931 /nfs/dbraw/zinc/77/29/31/1386772931.db2.gz VAGKQMGBXKLSRU-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CCCc1ccc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC001392233427 1389916805 /nfs/dbraw/zinc/91/68/05/1389916805.db2.gz MSSIRCCZQXRNGT-HNNXBMFYSA-N -1 1 345.447 2.007 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001395947454 1390885560 /nfs/dbraw/zinc/88/55/60/1390885560.db2.gz JUTNKQMWTZYKHI-UONOGXRCSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnn[nH]2)C1)C1CCCC1 ZINC001395952009 1390886920 /nfs/dbraw/zinc/88/69/20/1390886920.db2.gz FKPDUVRVRYNFNF-GXTWGEPZSA-N -1 1 347.463 2.036 20 0 EEADMM CCC[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396765954 1390966693 /nfs/dbraw/zinc/96/66/93/1390966693.db2.gz XRXCXRHOMCWTQI-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(C)cc(C)c1 ZINC001398089942 1391684635 /nfs/dbraw/zinc/68/46/35/1391684635.db2.gz RXSCPXNNFFANAO-UHFFFAOYSA-N -1 1 341.411 2.296 20 0 EEADMM C=Cc1ccc(C(=O)N(CC)CCNC(=O)c2ncccc2[O-])cc1 ZINC001398090014 1391685415 /nfs/dbraw/zinc/68/54/15/1391685415.db2.gz SSWDJJPKXHBPGH-UHFFFAOYSA-N -1 1 339.395 2.322 20 0 EEADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)c1ccoc1Cl ZINC001398309784 1392160172 /nfs/dbraw/zinc/16/01/72/1392160172.db2.gz DOVAGRPVBZPBHU-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM O=C(NCCN(C(=O)c1ccc(Cl)o1)C1CC1)c1ncccc1[O-] ZINC001398311312 1392161248 /nfs/dbraw/zinc/16/12/48/1392161248.db2.gz LQMDFSUBAIXJMK-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM CCC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-])C(C)C ZINC001398828730 1394211847 /nfs/dbraw/zinc/21/18/47/1394211847.db2.gz IWJPSTNEGQMPFI-KKUMJFAQSA-N -1 1 345.443 2.285 20 0 EEADMM CCCC[C@H](CN[C@@H](C)c1noc(C)n1)NC(=O)c1ncccc1[O-] ZINC001403282435 1399731747 /nfs/dbraw/zinc/73/17/47/1399731747.db2.gz TUTNQZXKPKXBKC-WCQYABFASA-N -1 1 347.419 2.118 20 0 EEADMM CC(C)c1ocnc1CN(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001422490365 1399956567 /nfs/dbraw/zinc/95/65/67/1399956567.db2.gz GNQWDMLCUCDICK-LBPRGKRZSA-N -1 1 332.404 2.149 20 0 EEADMM CCc1nc(CN[C@H](C)CN(C)C(=O)c2ncccc2[O-])cs1 ZINC001423061614 1400391197 /nfs/dbraw/zinc/39/11/97/1400391197.db2.gz RWEVVKQDIRUPPU-LLVKDONJSA-N -1 1 334.445 2.056 20 0 EEADMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccccc1)c1ccccc1F ZINC001423552173 1400637008 /nfs/dbraw/zinc/63/70/08/1400637008.db2.gz YHLNUBUKMLYKLL-OAQYLSRUSA-N -1 1 342.417 2.317 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)C2(C)CCC2)cc1 ZINC001424083446 1400905112 /nfs/dbraw/zinc/90/51/12/1400905112.db2.gz WHZNRTDNPDTNIV-GFCCVEGCSA-N -1 1 343.431 2.168 20 0 EEADMM CC[C@@H](C)C(=O)N[C@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001426915856 1402251669 /nfs/dbraw/zinc/25/16/69/1402251669.db2.gz LHFGHYDGYYCFBD-ZIAGYGMSSA-N -1 1 335.448 2.436 20 0 EEADMM CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428954108 1402853349 /nfs/dbraw/zinc/85/33/49/1402853349.db2.gz WCVHNFGDUVJVRD-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001433712228 1403425610 /nfs/dbraw/zinc/42/56/10/1403425610.db2.gz KLSKJAIVKXVAMZ-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)C(C)C ZINC001433864496 1403440172 /nfs/dbraw/zinc/44/01/72/1403440172.db2.gz GQCPXQULUFUJPJ-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCCCC(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001577407256 1403647393 /nfs/dbraw/zinc/64/73/93/1403647393.db2.gz ZGAIWCPJNPFQQR-NSHDSACASA-N -1 1 349.464 2.225 20 0 EEADMM CCCc1ccccc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577739061 1403672801 /nfs/dbraw/zinc/67/28/01/1403672801.db2.gz IDXROKFSNZKYFU-UHFFFAOYSA-N -1 1 338.371 2.481 20 0 EEADMM COc1cc(C)c([S@](C)=O)cc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001579916261 1403797782 /nfs/dbraw/zinc/79/77/82/1403797782.db2.gz HCHPKMUKFMBGLE-DEOSSOPVSA-N -1 1 345.384 2.108 20 0 EEADMM COc1cc(C)c([S@](C)=O)cc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001579916261 1403797789 /nfs/dbraw/zinc/79/77/89/1403797789.db2.gz HCHPKMUKFMBGLE-DEOSSOPVSA-N -1 1 345.384 2.108 20 0 EEADMM COc1cccc(OCCSc2cccnc2-c2nnn[n-]2)c1 ZINC001580074949 1403821865 /nfs/dbraw/zinc/82/18/65/1403821865.db2.gz RCVYYDXNZQCCAR-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM COc1cccc(OCCSc2cccnc2-c2nn[n-]n2)c1 ZINC001580074949 1403821876 /nfs/dbraw/zinc/82/18/76/1403821876.db2.gz RCVYYDXNZQCCAR-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM CCOC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001590752356 1403896756 /nfs/dbraw/zinc/89/67/56/1403896756.db2.gz FDOWSCPDKKJQQV-AWEZNQCLSA-N -1 1 343.412 2.322 20 0 EEADMM COc1cccc([C@H](C)C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001591638464 1403932999 /nfs/dbraw/zinc/93/29/99/1403932999.db2.gz PWJOIIBLJNBWSK-QMMMGPOBSA-N -1 1 344.400 2.382 20 0 EEADMM COc1cccc([C@H](C)C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591638464 1403933009 /nfs/dbraw/zinc/93/30/09/1403933009.db2.gz PWJOIIBLJNBWSK-QMMMGPOBSA-N -1 1 344.400 2.382 20 0 EEADMM COc1ccccc1OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001591651530 1403934959 /nfs/dbraw/zinc/93/49/59/1403934959.db2.gz ALPCMYDKHRTCCG-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM CSCCCCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591699137 1403941269 /nfs/dbraw/zinc/94/12/69/1403941269.db2.gz GCBNKGDHLCKFTK-UHFFFAOYSA-N -1 1 341.387 2.294 20 0 EEADMM CSCCCCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591699137 1403941273 /nfs/dbraw/zinc/94/12/73/1403941273.db2.gz GCBNKGDHLCKFTK-UHFFFAOYSA-N -1 1 341.387 2.294 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2OCCc3sccc32)n1 ZINC001591890907 1403969654 /nfs/dbraw/zinc/96/96/54/1403969654.db2.gz OFBBTIPJCTUXST-NOZJJQNGSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2OCCc3sccc32)n1 ZINC001591890907 1403969658 /nfs/dbraw/zinc/96/96/58/1403969658.db2.gz OFBBTIPJCTUXST-NOZJJQNGSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1ccc(C2(CNC(=O)c3ccnc(-c4nnn[n-]4)c3)CC2)c(C)c1 ZINC001592141008 1404005840 /nfs/dbraw/zinc/00/58/40/1404005840.db2.gz AXHUFLZJSNANAE-UHFFFAOYSA-N -1 1 348.410 2.340 20 0 EEADMM Cc1ccc(C2(CNC(=O)c3ccnc(-c4nn[n-]n4)c3)CC2)c(C)c1 ZINC001592141008 1404005852 /nfs/dbraw/zinc/00/58/52/1404005852.db2.gz AXHUFLZJSNANAE-UHFFFAOYSA-N -1 1 348.410 2.340 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592243927 1404013637 /nfs/dbraw/zinc/01/36/37/1404013637.db2.gz HYMNMVCQJAKQKX-ZDUSSCGKSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592243927 1404013655 /nfs/dbraw/zinc/01/36/55/1404013655.db2.gz HYMNMVCQJAKQKX-ZDUSSCGKSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3c(c2)CCC3)c1-c1nnn[n-]1 ZINC001592481580 1404700610 /nfs/dbraw/zinc/70/06/10/1404700610.db2.gz CMTUSKHGZPGKIP-UHFFFAOYSA-N -1 1 326.385 2.373 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC001592481580 1404700618 /nfs/dbraw/zinc/70/06/18/1404700618.db2.gz CMTUSKHGZPGKIP-UHFFFAOYSA-N -1 1 326.385 2.373 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC001592499587 1404703262 /nfs/dbraw/zinc/70/32/62/1404703262.db2.gz PKIJYCLSOUQKRH-SKDRFNHKSA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC001592499587 1404703264 /nfs/dbraw/zinc/70/32/64/1404703264.db2.gz PKIJYCLSOUQKRH-SKDRFNHKSA-N -1 1 345.309 2.332 20 0 EEADMM O=C(Cc1ccc(Cl)c(F)c1)OCc1cccnc1-c1nnn[n-]1 ZINC001592917108 1404729308 /nfs/dbraw/zinc/72/93/08/1404729308.db2.gz DQPAWAWNDOXXDH-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1ccc(Cl)c(F)c1)OCc1cccnc1-c1nn[n-]n1 ZINC001592917108 1404729313 /nfs/dbraw/zinc/72/93/13/1404729313.db2.gz DQPAWAWNDOXXDH-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(NCCc1ccccc1F)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593105698 1404744073 /nfs/dbraw/zinc/74/40/73/1404744073.db2.gz MTAQVAOTGAHPJA-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])sc2C)cn1 ZINC001605699070 1404750593 /nfs/dbraw/zinc/75/05/93/1404750593.db2.gz OLOBRKBOZVRSEZ-UHFFFAOYSA-N -1 1 342.398 2.349 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(O)c3ccccc3c2)c1-c1nn[n-]n1 ZINC001606014574 1404755051 /nfs/dbraw/zinc/75/50/51/1404755051.db2.gz KWDCHEHMHNHKSK-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001606064710 1404761650 /nfs/dbraw/zinc/76/16/50/1404761650.db2.gz DMBBSGOILZYIRI-GOEBONIOSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001606064710 1404761654 /nfs/dbraw/zinc/76/16/54/1404761654.db2.gz DMBBSGOILZYIRI-GOEBONIOSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nsc(N2CC[C@]3(CNc4ccccc43)C2)c1-c1nn[n-]n1 ZINC001606144985 1404767655 /nfs/dbraw/zinc/76/76/55/1404767655.db2.gz RCZGOFZUYCLXLU-INIZCTEOSA-N -1 1 339.428 2.205 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc(F)c1F ZINC001606313611 1404788054 /nfs/dbraw/zinc/78/80/54/1404788054.db2.gz SIGJGOFGGVYQAW-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc(F)c1F ZINC001606313611 1404788066 /nfs/dbraw/zinc/78/80/66/1404788066.db2.gz SIGJGOFGGVYQAW-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001606327069 1404793356 /nfs/dbraw/zinc/79/33/56/1404793356.db2.gz VFDFGWUYHXEJDZ-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001606327069 1404793365 /nfs/dbraw/zinc/79/33/65/1404793365.db2.gz VFDFGWUYHXEJDZ-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc(C=C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001606327329 1404794108 /nfs/dbraw/zinc/79/41/08/1404794108.db2.gz KKKYLKRFKJDGFJ-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM 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CSc1ccc(OCCNC(=O)c2c(CO)cnc(C)c2[O-])cc1 ZINC001147844691 792001640 /nfs/dbraw/zinc/00/16/40/792001640.db2.gz VMZLOMNONRSVON-UHFFFAOYSA-N -1 1 348.424 2.119 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1ncc(F)cn1 ZINC001063939778 792006515 /nfs/dbraw/zinc/00/65/15/792006515.db2.gz ZIKZURSWRUFQPK-WCQYABFASA-N -1 1 345.378 2.069 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(-c2cnco2)cc1)c1nn[n-]n1 ZINC001148261066 792287678 /nfs/dbraw/zinc/28/76/78/792287678.db2.gz OYGGYBXILUTXEL-LBPRGKRZSA-N -1 1 344.400 2.079 20 0 EEADMM C[C@@H](C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000992051771 792479522 /nfs/dbraw/zinc/47/95/22/792479522.db2.gz DYWRILYLTNURDL-DNOWBOINSA-N -1 1 345.443 2.238 20 0 EEADMM CN(CCCCCCNc1ncc(F)cn1)C(=O)c1ncccc1[O-] ZINC001091737241 792594949 /nfs/dbraw/zinc/59/49/49/792594949.db2.gz IYMTWYSCWZVAKL-UHFFFAOYSA-N -1 1 347.394 2.461 20 0 EEADMM Cc1cnc([C@@H](C)N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000998997041 793650400 /nfs/dbraw/zinc/65/04/00/793650400.db2.gz 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CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)c1ccccc1 ZINC001002412324 798030726 /nfs/dbraw/zinc/03/07/26/798030726.db2.gz OAWAUPAZQHQBRN-HNNXBMFYSA-N -1 1 339.395 2.164 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CC12CCC2)C(=O)c1ncccc1[O-] ZINC001002502467 798163854 /nfs/dbraw/zinc/16/38/54/798163854.db2.gz JDLGLNNNATYMAR-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC12CCC2)C(=O)c1ncccc1[O-] ZINC001002502454 798163956 /nfs/dbraw/zinc/16/39/56/798163956.db2.gz JDLGLNNNATYMAR-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM CC1(C)CC(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)CC(C)(C)C2)C1 ZINC001089383503 798284531 /nfs/dbraw/zinc/28/45/31/798284531.db2.gz ZLKSBFTULYBKIS-ZDUSSCGKSA-N -1 1 349.479 2.053 20 0 EEADMM COCOc1ccc([N-]S(=O)(=O)c2ccccc2N)cc1F ZINC001176190480 798369003 /nfs/dbraw/zinc/36/90/03/798369003.db2.gz GMFWWHXSVBYDHN-UHFFFAOYSA-N -1 1 326.349 2.191 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)Cc2cn(C)cn2)c1 ZINC001177852802 799155773 /nfs/dbraw/zinc/15/57/73/799155773.db2.gz YAKOZNYMPBSDQD-UHFFFAOYSA-N -1 1 340.177 2.078 20 0 EEADMM O=C(CCn1nnc2ccccc21)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179995613 800205005 /nfs/dbraw/zinc/20/50/05/800205005.db2.gz GVVLABOPFIYINK-UHFFFAOYSA-N -1 1 348.366 2.351 20 0 EEADMM COC[C@@H]1CCCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000824370228 800262619 /nfs/dbraw/zinc/26/26/19/800262619.db2.gz OAAPUCZJIPSGKR-CYBMUJFWSA-N -1 1 330.388 2.468 20 0 EEADMM CC[C@]1(C(C)C)C[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001004050387 800858756 /nfs/dbraw/zinc/85/87/56/800858756.db2.gz KGRXKVJZYCRBQK-IFXJQAMLSA-N -1 1 345.443 2.048 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)CCc1ccc(N(C)C)cc1 ZINC001182002811 800992980 /nfs/dbraw/zinc/99/29/80/800992980.db2.gz ZSQIPBJMOHSZBT-UHFFFAOYSA-N -1 1 330.388 2.224 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)Cc2ccc3c(c2)OCO3)[n-]1 ZINC001182404072 801154709 /nfs/dbraw/zinc/15/47/09/801154709.db2.gz QJVZELGXIGJKQM-JTQLQIEISA-N -1 1 345.355 2.132 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)Cc2ccc3c(c2)OCO3)n1 ZINC001182404072 801154712 /nfs/dbraw/zinc/15/47/12/801154712.db2.gz QJVZELGXIGJKQM-JTQLQIEISA-N -1 1 345.355 2.132 20 0 EEADMM CN1CCN(c2ccc(NC(=O)Cc3ccc([S-])cc3)nc2)CC1 ZINC001183184334 801501799 /nfs/dbraw/zinc/50/17/99/801501799.db2.gz QODVHLWKFXBKOJ-UHFFFAOYSA-N -1 1 342.468 2.303 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)[C@H](O)c1cccc(O)c1 ZINC001183197929 801509518 /nfs/dbraw/zinc/50/95/18/801509518.db2.gz SKEZMVRPXZNTFA-XVKPBYJWSA-N -1 1 343.248 2.102 20 0 EEADMM CC(=O)c1c(C)c(C)[nH]c1C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001184730641 802163633 /nfs/dbraw/zinc/16/36/33/802163633.db2.gz OWMNAWNSLSACRW-UHFFFAOYSA-N -1 1 346.347 2.046 20 0 EEADMM O=S(=O)([N-]c1cncnc1Br)c1cccnc1Cl ZINC001184834978 802217954 /nfs/dbraw/zinc/21/79/54/802217954.db2.gz NPFUXOOIRAPRBC-UHFFFAOYSA-N -1 1 349.597 2.088 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)Nc1ccc(F)c(F)c1F ZINC001185348675 802459498 /nfs/dbraw/zinc/45/94/98/802459498.db2.gz APECUCLQWUTNIJ-UHFFFAOYSA-N -1 1 326.211 2.183 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001004713212 802640197 /nfs/dbraw/zinc/64/01/97/802640197.db2.gz YTAQLIZSQJAYHI-ZFWWWQNUSA-N -1 1 349.479 2.340 20 0 EEADMM C[C@@H]1CCN(C(=O)CC(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004746619 802741030 /nfs/dbraw/zinc/74/10/30/802741030.db2.gz BIUHCNMBSNDCSM-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1sccc1C(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004854027 803085029 /nfs/dbraw/zinc/08/50/29/803085029.db2.gz NSYDUNZXPHSGKW-MFKMUULPSA-N -1 1 349.460 2.053 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001004860104 803096088 /nfs/dbraw/zinc/09/60/88/803096088.db2.gz FNAUAIPORFRNGD-GXTWGEPZSA-N -1 1 349.479 2.196 20 0 EEADMM Cc1cccc2nc(NC[C@H](C)NC(=O)c3ncccc3[O-])oc21 ZINC001108323618 803313795 /nfs/dbraw/zinc/31/37/95/803313795.db2.gz UMBUGEIRGFTIDW-NSHDSACASA-N -1 1 326.356 2.467 20 0 EEADMM O=S(=O)([N-]CC1(C2CC2)CCC1)c1nc[nH]c1Br ZINC000867001443 803875462 /nfs/dbraw/zinc/87/54/62/803875462.db2.gz SOBQEJBSUFLWJQ-UHFFFAOYSA-N -1 1 334.239 2.031 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)C2=Cc3ccccc3OC2)c(O)c1 ZINC000788748543 807684235 /nfs/dbraw/zinc/68/42/35/807684235.db2.gz VJSKLXPVDASTQM-UHFFFAOYSA-N -1 1 347.348 2.266 20 0 EEADMM COc1cccc([C@H](C)CCCC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000789049269 807834849 /nfs/dbraw/zinc/83/48/49/807834849.db2.gz VCDOOGJEUPPRGN-GFCCVEGCSA-N -1 1 333.388 2.134 20 0 EEADMM CCC(CC)N1C[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])CC1=O ZINC000790057449 808383212 /nfs/dbraw/zinc/38/32/12/808383212.db2.gz XFRVYLMXVIYHNX-VIFPVBQESA-N -1 1 325.796 2.416 20 0 EEADMM CSc1ccc(O[C@@H](C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791165150 809098898 /nfs/dbraw/zinc/09/88/98/809098898.db2.gz CANGLUUCTGGVIE-NSHDSACASA-N -1 1 342.424 2.470 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)CCCCNCc2nc(C)c(C)o2)c1[O-] ZINC001170192321 809807378 /nfs/dbraw/zinc/80/73/78/809807378.db2.gz 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ZINC000736565182 578211705 /nfs/dbraw/zinc/21/17/05/578211705.db2.gz RPFOIFSWAGFTMR-UHFFFAOYSA-N -1 1 347.375 2.221 20 0 EEADMM C[C@H](CN(C)CC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000736572138 578212170 /nfs/dbraw/zinc/21/21/70/578212170.db2.gz NRQZLYHXPUEDNS-CQSZACIVSA-N -1 1 333.432 2.268 20 0 EEADMM C[C@@H](CN(CC(=O)N(C)Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000736579646 578212778 /nfs/dbraw/zinc/21/27/78/578212778.db2.gz VGNPMHHVDZQDFH-HNNXBMFYSA-N -1 1 344.411 2.461 20 0 EEADMM C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=S)NCCCC(=O)[O-] ZINC000736815665 578225344 /nfs/dbraw/zinc/22/53/44/578225344.db2.gz VHPKZMJZCYCHEX-OAHLLOKOSA-N -1 1 349.500 2.322 20 0 EEADMM CN(Cc1ccccc1Br)c1nccnc1-c1nnn[n-]1 ZINC000736829034 578226031 /nfs/dbraw/zinc/22/60/31/578226031.db2.gz VEHPVKFEKVYITD-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccccc1Br)c1nccnc1-c1nn[n-]n1 ZINC000736829034 578226032 /nfs/dbraw/zinc/22/60/32/578226032.db2.gz VEHPVKFEKVYITD-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CCC1CCC2(CC1)NC(=O)N(CN(CCC(=O)[O-])C(C)C)C2=O ZINC000736939766 578229913 /nfs/dbraw/zinc/22/99/13/578229913.db2.gz GBIFXUCOQONIEX-UHFFFAOYSA-N -1 1 339.436 2.020 20 0 EEADMM CONC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737022722 578233525 /nfs/dbraw/zinc/23/35/25/578233525.db2.gz ARQDNJVDFILQBR-UHFFFAOYSA-N -1 1 329.291 2.089 20 0 EEADMM CONC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737022722 578233526 /nfs/dbraw/zinc/23/35/26/578233526.db2.gz ARQDNJVDFILQBR-UHFFFAOYSA-N -1 1 329.291 2.089 20 0 EEADMM COCCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821693605 607314252 /nfs/dbraw/zinc/31/42/52/607314252.db2.gz GHZADSWPKBGDPD-UHFFFAOYSA-N -1 1 333.323 2.236 20 0 EEADMM COCCOc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821693605 607314253 /nfs/dbraw/zinc/31/42/53/607314253.db2.gz GHZADSWPKBGDPD-UHFFFAOYSA-N -1 1 333.323 2.236 20 0 EEADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547861 599309879 /nfs/dbraw/zinc/30/98/79/599309879.db2.gz PTPTVGGICRBLCM-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547861 599309881 /nfs/dbraw/zinc/30/98/81/599309881.db2.gz PTPTVGGICRBLCM-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM OC1CCN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)CC1 ZINC000823705953 599413505 /nfs/dbraw/zinc/41/35/05/599413505.db2.gz JKCYTEDMYKLHJR-UHFFFAOYSA-N -1 1 340.387 2.033 20 0 EEADMM OC1CCN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)CC1 ZINC000823705953 599413507 /nfs/dbraw/zinc/41/35/07/599413507.db2.gz JKCYTEDMYKLHJR-UHFFFAOYSA-N -1 1 340.387 2.033 20 0 EEADMM CC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nnc2n1CCCCC2 ZINC000820924920 599424418 /nfs/dbraw/zinc/42/44/18/599424418.db2.gz BXQPDTPBOPCIBA-LBPRGKRZSA-N -1 1 342.407 2.019 20 0 EEADMM CC[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nnc2n1CCCCC2 ZINC000820924920 599424420 /nfs/dbraw/zinc/42/44/20/599424420.db2.gz BXQPDTPBOPCIBA-LBPRGKRZSA-N -1 1 342.407 2.019 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C(=O)NC(C)(C)C ZINC000820449939 599496773 /nfs/dbraw/zinc/49/67/73/599496773.db2.gz DTGCCCBOOXLAHM-JTQLQIEISA-N -1 1 339.403 2.130 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C(=O)NC(C)(C)C ZINC000820449939 599496774 /nfs/dbraw/zinc/49/67/74/599496774.db2.gz DTGCCCBOOXLAHM-JTQLQIEISA-N -1 1 339.403 2.130 20 0 EEADMM Cc1nc2n(c1C)CCN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC000822463086 599512429 /nfs/dbraw/zinc/51/24/29/599512429.db2.gz PHEPSCHTRRTXNQ-UHFFFAOYSA-N -1 1 346.398 2.248 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCCc3ccccc31)CC2 ZINC000405329083 600310963 /nfs/dbraw/zinc/31/09/63/600310963.db2.gz YCIQAMACTDSFQE-OAHLLOKOSA-N -1 1 328.412 2.153 20 0 EEADMM Cc1ccc([C@H](NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832923910 601034256 /nfs/dbraw/zinc/03/42/56/601034256.db2.gz SOVQHKIKMNQBID-HKUYNNGSSA-N -1 1 330.428 2.405 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000827373864 601099605 /nfs/dbraw/zinc/09/96/05/601099605.db2.gz AHCALKDDAYXFIN-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(O)c1 ZINC000827112946 601122672 /nfs/dbraw/zinc/12/26/72/601122672.db2.gz RJMJILPLCGEWKY-ZDUSSCGKSA-N -1 1 334.416 2.137 20 0 EEADMM CCCOc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000829541429 601126710 /nfs/dbraw/zinc/12/67/10/601126710.db2.gz MVEYBEDHQAEBKD-CQSZACIVSA-N -1 1 349.431 2.488 20 0 EEADMM C[C@H](OC[C@@H](O)CN1CC[C@](F)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827879634 601446249 /nfs/dbraw/zinc/44/62/49/601446249.db2.gz UTNAYTBSJZEKOZ-HZUKXOBISA-N -1 1 345.798 2.277 20 0 EEADMM C[C@@H]1CN(Cc2ccc(I)cc2)C[C@@H]1C(=O)[O-] ZINC000088174984 601520542 /nfs/dbraw/zinc/52/05/42/601520542.db2.gz XGCWJHSQHBPYIW-SKDRFNHKSA-N -1 1 345.180 2.444 20 0 EEADMM Cc1cnc(CN(C)[C@@H]2CCN(Cc3ccsc3C(=O)[O-])C2)o1 ZINC000832985764 601835116 /nfs/dbraw/zinc/83/51/16/601835116.db2.gz NBMHPROWNQSJFF-CYBMUJFWSA-N -1 1 335.429 2.449 20 0 EEADMM O=C([O-])[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(F)cc1 ZINC000833170037 601850794 /nfs/dbraw/zinc/85/07/94/601850794.db2.gz NTNPSJUZXDOFMM-MRXNPFEDSA-N -1 1 349.383 2.071 20 0 EEADMM C[C@@H](N(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C(C)(C)C ZINC000827603432 601873097 /nfs/dbraw/zinc/87/30/97/601873097.db2.gz QCVGUVDPVWWHLN-GFCCVEGCSA-N -1 1 347.415 2.477 20 0 EEADMM C[C@H](C(=O)NCCC1=CCCCC1)N1CCSC[C@H]1CC(=O)[O-] ZINC000826004826 601922807 /nfs/dbraw/zinc/92/28/07/601922807.db2.gz KMXMAPLILQEZFW-UKRRQHHQSA-N -1 1 340.489 2.274 20 0 EEADMM N=C(NOCc1ccc(C(=O)[O-])c(F)c1)[C@@H]1COc2ccccc2O1 ZINC000833078250 602160729 /nfs/dbraw/zinc/16/07/29/602160729.db2.gz LPMIVNPDKCUOJK-HNNXBMFYSA-N -1 1 346.314 2.362 20 0 EEADMM O=C(CSc1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421000 607597812 /nfs/dbraw/zinc/59/78/12/607597812.db2.gz MYCINWGJEFDQRA-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(CSc1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421000 607597813 /nfs/dbraw/zinc/59/78/13/607597813.db2.gz MYCINWGJEFDQRA-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM Cc1c([C@@H](C)N[C@@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829858840 604330904 /nfs/dbraw/zinc/33/09/04/604330904.db2.gz FMLALCFWYIAKKT-TZMCWYRMSA-N -1 1 329.404 2.369 20 0 EEADMM C[C@@H]1CCc2c(sc3nc(CN4CC[C@@H](C(=O)[O-])C4)nc(N)c32)C1 ZINC000820245608 604907563 /nfs/dbraw/zinc/90/75/63/604907563.db2.gz OSXKMSKUDVCUGH-NXEZZACHSA-N -1 1 346.456 2.305 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000833624336 605105469 /nfs/dbraw/zinc/10/54/69/605105469.db2.gz HIQCPFUTXDXHSN-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000833618557 605157326 /nfs/dbraw/zinc/15/73/26/605157326.db2.gz CSMFXFDEIXIWBR-PGBRGIIUSA-N -1 1 334.460 2.210 20 0 EEADMM Cc1ccccc1-c1noc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)n1 ZINC000833753369 605186396 /nfs/dbraw/zinc/18/63/96/605186396.db2.gz RLLXQUZXZLORRT-AWEZNQCLSA-N -1 1 344.415 2.026 20 0 EEADMM Cc1noc2ncc(NS(=O)(=O)c3ccc(C)cc3C(=O)[O-])cc12 ZINC000833751083 605189207 /nfs/dbraw/zinc/18/92/07/605189207.db2.gz NXGFVFTTWJTCEA-UHFFFAOYSA-N -1 1 347.352 2.339 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833507510 605256115 /nfs/dbraw/zinc/25/61/15/605256115.db2.gz RIYGCYLREIYJPB-HNNXBMFYSA-N -1 1 348.443 2.024 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)on1 ZINC000833777758 605262600 /nfs/dbraw/zinc/26/26/00/605262600.db2.gz DGWRYLHTBSOFOM-NSHDSACASA-N -1 1 335.385 2.001 20 0 EEADMM CCC1(O)CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825176478 608239115 /nfs/dbraw/zinc/23/91/15/608239115.db2.gz UYQNQSOARSICPT-UHFFFAOYSA-N -1 1 328.829 2.472 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000833509557 605296018 /nfs/dbraw/zinc/29/60/18/605296018.db2.gz YOCHMZCTPBPEKB-HOTGVXAUSA-N -1 1 334.416 2.486 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC000833582195 605369993 /nfs/dbraw/zinc/36/99/93/605369993.db2.gz DTJGEYYLNJRWDY-JTQLQIEISA-N -1 1 333.310 2.018 20 0 EEADMM Clc1nsc(N2CCC[C@@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000822591927 606144326 /nfs/dbraw/zinc/14/43/26/606144326.db2.gz ZENIGSRTUMRIBW-CYBMUJFWSA-N -1 1 340.840 2.374 20 0 EEADMM Clc1nsc(N2CCC[C@@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000822591927 606144327 /nfs/dbraw/zinc/14/43/27/606144327.db2.gz ZENIGSRTUMRIBW-CYBMUJFWSA-N -1 1 340.840 2.374 20 0 EEADMM Cc1cc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822191088 606156946 /nfs/dbraw/zinc/15/69/46/606156946.db2.gz FSMCVLIZYXNOTH-QMMMGPOBSA-N -1 1 346.420 2.161 20 0 EEADMM Cc1cc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)s1 ZINC000822191088 606156948 /nfs/dbraw/zinc/15/69/48/606156948.db2.gz FSMCVLIZYXNOTH-QMMMGPOBSA-N -1 1 346.420 2.161 20 0 EEADMM CC(C)CCCCCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820072533 606161777 /nfs/dbraw/zinc/16/17/77/606161777.db2.gz IUVXWSDPURNATB-UHFFFAOYSA-N -1 1 334.428 2.328 20 0 EEADMM CC(C)CCCCCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820072533 606161779 /nfs/dbraw/zinc/16/17/79/606161779.db2.gz IUVXWSDPURNATB-UHFFFAOYSA-N -1 1 334.428 2.328 20 0 EEADMM O=C(OCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823427110 606179438 /nfs/dbraw/zinc/17/94/38/606179438.db2.gz WTSIBOXXMPFKCA-UHFFFAOYSA-N -1 1 328.353 2.220 20 0 EEADMM O=C(OCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823427110 606179439 /nfs/dbraw/zinc/17/94/39/606179439.db2.gz WTSIBOXXMPFKCA-UHFFFAOYSA-N -1 1 328.353 2.220 20 0 EEADMM CCCN(CCC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821099462 606184881 /nfs/dbraw/zinc/18/48/81/606184881.db2.gz JDXKJORRSZEZRR-UHFFFAOYSA-N -1 1 346.435 2.165 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC2(CCCCC2)C1 ZINC000823478903 606189375 /nfs/dbraw/zinc/18/93/75/606189375.db2.gz WICMFXSNCCTLRH-UHFFFAOYSA-N -1 1 344.444 2.154 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC2(CCCCC2)C1 ZINC000823478903 606189377 /nfs/dbraw/zinc/18/93/77/606189377.db2.gz WICMFXSNCCTLRH-UHFFFAOYSA-N -1 1 344.444 2.154 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccs2)c1-c1nnn[n-]1 ZINC000822530454 606238428 /nfs/dbraw/zinc/23/84/28/606238428.db2.gz BXAICHVDZLADKT-AATRIKPKSA-N -1 1 332.414 2.369 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccs2)c1-c1nn[n-]n1 ZINC000822530454 606238429 /nfs/dbraw/zinc/23/84/29/606238429.db2.gz BXAICHVDZLADKT-AATRIKPKSA-N -1 1 332.414 2.369 20 0 EEADMM O=C(Cc1ccc2c(c1)CCC2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823082656 606296971 /nfs/dbraw/zinc/29/69/71/606296971.db2.gz OMCVJDYPLIEBFH-UHFFFAOYSA-N -1 1 335.367 2.242 20 0 EEADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2ccc(Cl)cc21 ZINC000823540478 606394494 /nfs/dbraw/zinc/39/44/94/606394494.db2.gz GLIAEECBZRNLCT-LLVKDONJSA-N -1 1 332.776 2.436 20 0 EEADMM COC(=O)c1sccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821672376 606495487 /nfs/dbraw/zinc/49/54/87/606495487.db2.gz IOXFOYUJBAWAJP-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COC(=O)c1sccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821672376 606495489 /nfs/dbraw/zinc/49/54/89/606495489.db2.gz IOXFOYUJBAWAJP-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(C(C)(C)C)n1 ZINC000822209595 606511644 /nfs/dbraw/zinc/51/16/44/606511644.db2.gz PHCCADIHUVTLBW-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(C(C)(C)C)n1 ZINC000822209595 606511645 /nfs/dbraw/zinc/51/16/45/606511645.db2.gz PHCCADIHUVTLBW-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM CC(C)COC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820098397 606529040 /nfs/dbraw/zinc/52/90/40/606529040.db2.gz XWZQUJGQYJOIGT-UHFFFAOYSA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)COC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820098397 606529041 /nfs/dbraw/zinc/52/90/41/606529041.db2.gz XWZQUJGQYJOIGT-UHFFFAOYSA-N -1 1 335.433 2.205 20 0 EEADMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822262503 606536550 /nfs/dbraw/zinc/53/65/50/606536550.db2.gz AHMGKKWWVVLVAL-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822262503 606536551 /nfs/dbraw/zinc/53/65/51/606536551.db2.gz AHMGKKWWVVLVAL-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821094950 606553037 /nfs/dbraw/zinc/55/30/37/606553037.db2.gz UYAONIVUGKPRMS-LLVKDONJSA-N -1 1 335.433 2.350 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821094950 606553038 /nfs/dbraw/zinc/55/30/38/606553038.db2.gz UYAONIVUGKPRMS-LLVKDONJSA-N -1 1 335.433 2.350 20 0 EEADMM CCCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821134284 606555028 /nfs/dbraw/zinc/55/50/28/606555028.db2.gz RXMUXGSZOJNFMW-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM CCCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821134284 606555029 /nfs/dbraw/zinc/55/50/29/606555029.db2.gz RXMUXGSZOJNFMW-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822329053 606574996 /nfs/dbraw/zinc/57/49/96/606574996.db2.gz XGRFJPIGVXJPGC-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822329053 606574997 /nfs/dbraw/zinc/57/49/97/606574997.db2.gz XGRFJPIGVXJPGC-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000823436033 606651361 /nfs/dbraw/zinc/65/13/61/606651361.db2.gz FJVNERXCTKXAQY-HNAYVOBHSA-N -1 1 347.378 2.209 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000823436033 606651362 /nfs/dbraw/zinc/65/13/62/606651362.db2.gz FJVNERXCTKXAQY-HNAYVOBHSA-N -1 1 347.378 2.209 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819883700 606787961 /nfs/dbraw/zinc/78/79/61/606787961.db2.gz KWOMUWAWPOXTAI-QMMMGPOBSA-N -1 1 338.799 2.082 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819883700 606787963 /nfs/dbraw/zinc/78/79/63/606787963.db2.gz KWOMUWAWPOXTAI-QMMMGPOBSA-N -1 1 338.799 2.082 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821361202 606941632 /nfs/dbraw/zinc/94/16/32/606941632.db2.gz UJWXAUUQZCWUMY-QWHCGFSZSA-N -1 1 347.444 2.348 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821361202 606941633 /nfs/dbraw/zinc/94/16/33/606941633.db2.gz UJWXAUUQZCWUMY-QWHCGFSZSA-N -1 1 347.444 2.348 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)OCC2CC2)c1-c1nnn[n-]1 ZINC000821990828 606944903 /nfs/dbraw/zinc/94/49/03/606944903.db2.gz WYCKKWXRMFRTFB-UHFFFAOYSA-N -1 1 331.401 2.428 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)OCC2CC2)c1-c1nn[n-]n1 ZINC000821990828 606944905 /nfs/dbraw/zinc/94/49/05/606944905.db2.gz WYCKKWXRMFRTFB-UHFFFAOYSA-N -1 1 331.401 2.428 20 0 EEADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823074755 607024961 /nfs/dbraw/zinc/02/49/61/607024961.db2.gz UWPQKCKQKBQYGR-UHFFFAOYSA-N -1 1 343.347 2.125 20 0 EEADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823074755 607024963 /nfs/dbraw/zinc/02/49/63/607024963.db2.gz UWPQKCKQKBQYGR-UHFFFAOYSA-N -1 1 343.347 2.125 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2n1CCCC2 ZINC000820455036 607027175 /nfs/dbraw/zinc/02/71/75/607027175.db2.gz BGKSKNAVQCNZCA-QMMMGPOBSA-N -1 1 345.798 2.016 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2n1CCCC2 ZINC000820455036 607027176 /nfs/dbraw/zinc/02/71/76/607027176.db2.gz BGKSKNAVQCNZCA-QMMMGPOBSA-N -1 1 345.798 2.016 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(c1ccccn1)C1CCCC1 ZINC000823478762 607241155 /nfs/dbraw/zinc/24/11/55/607241155.db2.gz RLGYAXUFENDLGZ-UHFFFAOYSA-N -1 1 335.371 2.246 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(c1ccccn1)C1CCCC1 ZINC000823478762 607241156 /nfs/dbraw/zinc/24/11/56/607241156.db2.gz RLGYAXUFENDLGZ-UHFFFAOYSA-N -1 1 335.371 2.246 20 0 EEADMM Clc1nsc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1-c1nnn[n-]1 ZINC000826353981 607822184 /nfs/dbraw/zinc/82/21/84/607822184.db2.gz LNOPVEYVBHIZDW-VDAHYXPESA-N -1 1 338.824 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1-c1nn[n-]n1 ZINC000826353981 607822185 /nfs/dbraw/zinc/82/21/85/607822185.db2.gz LNOPVEYVBHIZDW-VDAHYXPESA-N -1 1 338.824 2.346 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826504877 607875259 /nfs/dbraw/zinc/87/52/59/607875259.db2.gz GZQNMIOMAWIHFF-NSHDSACASA-N -1 1 336.273 2.396 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826504877 607875260 /nfs/dbraw/zinc/87/52/60/607875260.db2.gz GZQNMIOMAWIHFF-NSHDSACASA-N -1 1 336.273 2.396 20 0 EEADMM C[C@H](COc1ccc(F)cc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824440546 607897135 /nfs/dbraw/zinc/89/71/35/607897135.db2.gz FNBFYFYBQFHREV-SECBINFHSA-N -1 1 332.314 2.419 20 0 EEADMM C[C@H](COc1ccc(F)cc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824440546 607897136 /nfs/dbraw/zinc/89/71/36/607897136.db2.gz FNBFYFYBQFHREV-SECBINFHSA-N -1 1 332.314 2.419 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1-n1cccn1 ZINC000826450960 607999830 /nfs/dbraw/zinc/99/98/30/607999830.db2.gz KHPWCJWQQBGBKU-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM CC(C)c1nnc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[nH]1 ZINC000824358218 608098490 /nfs/dbraw/zinc/09/84/90/608098490.db2.gz CGTHFVSGYLCWHE-ZETCQYMHSA-N -1 1 333.787 2.330 20 0 EEADMM CCC1(O)CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825176478 608239114 /nfs/dbraw/zinc/23/91/14/608239114.db2.gz UYQNQSOARSICPT-UHFFFAOYSA-N -1 1 328.829 2.472 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CCCO2 ZINC000826376217 608403817 /nfs/dbraw/zinc/40/38/17/608403817.db2.gz SZHLXSUZSYFOMW-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CCCO2 ZINC000826376217 608403818 /nfs/dbraw/zinc/40/38/18/608403818.db2.gz SZHLXSUZSYFOMW-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Clc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826353558 608403892 /nfs/dbraw/zinc/40/38/92/608403892.db2.gz UYPJZZWHEZMVJO-SNVBAGLBSA-N -1 1 329.751 2.246 20 0 EEADMM Clc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826353558 608403893 /nfs/dbraw/zinc/40/38/93/608403893.db2.gz UYPJZZWHEZMVJO-SNVBAGLBSA-N -1 1 329.751 2.246 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824137229 608416071 /nfs/dbraw/zinc/41/60/71/608416071.db2.gz YXPGJXNMAFTAEX-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824137229 608416073 /nfs/dbraw/zinc/41/60/73/608416073.db2.gz YXPGJXNMAFTAEX-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824136232 608418816 /nfs/dbraw/zinc/41/88/16/608418816.db2.gz NDOKAHAAUDQYJY-CQSZACIVSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824136232 608418818 /nfs/dbraw/zinc/41/88/18/608418818.db2.gz NDOKAHAAUDQYJY-CQSZACIVSA-N -1 1 339.403 2.100 20 0 EEADMM FC(F)n1ncc2cc(Nc3ccc(-c4nnn[n-]4)nn3)ccc21 ZINC000826370120 608436475 /nfs/dbraw/zinc/43/64/75/608436475.db2.gz FDKKOFKXFPMNGB-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM FC(F)n1ncc2cc(Nc3ccc(-c4nn[n-]n4)nn3)ccc21 ZINC000826370120 608436477 /nfs/dbraw/zinc/43/64/77/608436477.db2.gz FDKKOFKXFPMNGB-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(-n2ccnc2)cc1 ZINC000826280778 608544683 /nfs/dbraw/zinc/54/46/83/608544683.db2.gz PDKGGINQJHOFQB-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cn1cc(-c2ccnc(C=Cc3ccc(-c4nn[n-]n4)s3)n2)cn1 ZINC000826356343 608755152 /nfs/dbraw/zinc/75/51/52/608755152.db2.gz MDQNSYWAUWZZHV-HYXAFXHYSA-N -1 1 336.384 2.289 20 0 EEADMM Fc1cccc(-n2ccc(NCc3ccoc3)n2)c1-c1nn[n-]n1 ZINC000826376868 609320955 /nfs/dbraw/zinc/32/09/55/609320955.db2.gz WLNDEHGCTTYBEC-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM CC[C@@H](C)n1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C ZINC000825080541 609391967 /nfs/dbraw/zinc/39/19/67/609391967.db2.gz ADYQLYPPCVAPDA-SECBINFHSA-N -1 1 341.375 2.301 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2ncccc2[O-])C1 ZINC000891018946 675956966 /nfs/dbraw/zinc/95/69/66/675956966.db2.gz BFVIHPWCHHMIMR-GOSISDBHSA-N -1 1 347.415 2.403 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000052149471 676095238 /nfs/dbraw/zinc/09/52/38/676095238.db2.gz SRLZXVLCQWVNNQ-UHFFFAOYSA-N -1 1 343.379 2.241 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1cscn1)c1ncccc1[O-] ZINC001021239696 675872957 /nfs/dbraw/zinc/87/29/57/675872957.db2.gz ZEXPNRHSAZJJIF-QXMXGUDHSA-N -1 1 344.440 2.169 20 0 EEADMM CCCNC(=O)c1cccc(CNc2cc(=O)[n-]c(COC)n2)c1 ZINC000891867156 676874667 /nfs/dbraw/zinc/87/46/67/676874667.db2.gz DEAKLLIMDQEENS-UHFFFAOYSA-N -1 1 330.388 2.081 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)C2CCC=CCC2)C1)c1ncccc1[O-] ZINC000982788913 681208204 /nfs/dbraw/zinc/20/82/04/681208204.db2.gz WMTFBGSSWZLCNL-CQSZACIVSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)(CC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000982734631 682119865 /nfs/dbraw/zinc/11/98/65/682119865.db2.gz WWJLGSZCBFBLHT-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(CCC1CC1)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214398 682225982 /nfs/dbraw/zinc/22/59/82/682225982.db2.gz YSYBEVMXIZTRDU-LSDHHAIUSA-N -1 1 347.463 2.046 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973198839 682295715 /nfs/dbraw/zinc/29/57/15/682295715.db2.gz KGUWEZHACDGILG-MGPQQGTHSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1)c1ncccc1[O-] ZINC000973200054 682297616 /nfs/dbraw/zinc/29/76/16/682297616.db2.gz XHWCLPDXJUWYKO-RBSFLKMASA-N -1 1 343.427 2.301 20 0 EEADMM Cc1coc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000983575854 682882229 /nfs/dbraw/zinc/88/22/29/682882229.db2.gz SLYMYJZGXCRFFC-CHWSQXEVSA-N -1 1 343.383 2.160 20 0 EEADMM O=C(CCC1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936271734 682935290 /nfs/dbraw/zinc/93/52/90/682935290.db2.gz HWMKDPVNRIMDFR-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM CCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973719150 683131633 /nfs/dbraw/zinc/13/16/33/683131633.db2.gz ILZNFRHWJYXYOS-UONOGXRCSA-N -1 1 331.416 2.040 20 0 EEADMM CC[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1cccc(C)c1 ZINC000909415308 683333625 /nfs/dbraw/zinc/33/36/25/683333625.db2.gz NXFOEKYYYDLQDQ-HZPDHXFCSA-N -1 1 348.443 2.065 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(Cc3ccccc3)CCC2)C1 ZINC000909415355 683337251 /nfs/dbraw/zinc/33/72/51/683337251.db2.gz CKZBMLQWRQQVNQ-QGZVFWFLSA-N -1 1 344.455 2.312 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1C[C@@H](C)CO1 ZINC000893005754 683533263 /nfs/dbraw/zinc/53/32/63/683533263.db2.gz RRICEARQBGZSJU-IAQYHMDHSA-N -1 1 343.383 2.063 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000983871107 683663995 /nfs/dbraw/zinc/66/39/95/683663995.db2.gz ZJEZWHMVBJYAKO-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM CCCC(=O)N1CCC(CN(CC)C(=O)c2ncccc2[O-])CC1 ZINC000936371893 684162298 /nfs/dbraw/zinc/16/22/98/684162298.db2.gz KNEVTHDZSYUTTQ-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM O=C(c1ccc(SC(F)(F)F)o1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000866901636 684270187 /nfs/dbraw/zinc/27/01/87/684270187.db2.gz KTWFWDJSTKISIG-ZETCQYMHSA-N -1 1 347.322 2.424 20 0 EEADMM 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/nfs/dbraw/zinc/87/74/49/1351877449.db2.gz GJJLMQNXHMMJRN-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM C[C@H]1CSc2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609177891 1351877453 /nfs/dbraw/zinc/87/74/53/1351877453.db2.gz GJJLMQNXHMMJRN-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM CCOC(=O)[C@@H](CC(C)C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609231917 1351903447 /nfs/dbraw/zinc/90/34/47/1351903447.db2.gz YUSFHOKYBDTYLR-SNVBAGLBSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@@H](CC(C)C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609231917 1351903448 /nfs/dbraw/zinc/90/34/48/1351903448.db2.gz YUSFHOKYBDTYLR-SNVBAGLBSA-N -1 1 338.389 2.063 20 0 EEADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609251850 1351909819 /nfs/dbraw/zinc/90/98/19/1351909819.db2.gz BKWZXINVERWYJL-JTQLQIEISA-N -1 1 340.339 2.450 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609259723 1351913324 /nfs/dbraw/zinc/91/33/24/1351913324.db2.gz LLUZUHJYUNPPQZ-UHFFFAOYSA-N -1 1 341.375 2.164 20 0 EEADMM CCc1cc(=O)[n-]c(SCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC001609251143 1351909112 /nfs/dbraw/zinc/90/91/12/1351909112.db2.gz WQKVNUJGZVLIKV-UHFFFAOYSA-N -1 1 344.400 2.096 20 0 EEADMM CN(C)c1ncccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001609271168 1351917209 /nfs/dbraw/zinc/91/72/09/1351917209.db2.gz ZPDJMMUJPFSOTR-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1ncccc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001609271168 1351917211 /nfs/dbraw/zinc/91/72/11/1351917211.db2.gz ZPDJMMUJPFSOTR-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@H]2CCC[C@H](C)C2)c1 ZINC001609302005 1351925132 /nfs/dbraw/zinc/92/51/32/1351925132.db2.gz NLNZBEKBKWDGIJ-NWDGAFQWSA-N -1 1 345.403 2.031 20 0 EEADMM COc1ccc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C(C)C)cc1 ZINC001609352972 1351943058 /nfs/dbraw/zinc/94/30/58/1351943058.db2.gz YDZTWQZAZZIBMV-HNNXBMFYSA-N -1 1 325.376 2.475 20 0 EEADMM COc1ccc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C(C)C)cc1 ZINC001609352972 1351943060 /nfs/dbraw/zinc/94/30/60/1351943060.db2.gz YDZTWQZAZZIBMV-HNNXBMFYSA-N -1 1 325.376 2.475 20 0 EEADMM COc1ccc(OCCN(C)c2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001609358663 1351945575 /nfs/dbraw/zinc/94/55/75/1351945575.db2.gz RBHHEVPGMHTDIL-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1ccc(OCCN(C)c2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001609358663 1351945576 /nfs/dbraw/zinc/94/55/76/1351945576.db2.gz RBHHEVPGMHTDIL-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1cccc(F)c1[C@@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001609361860 1351947418 /nfs/dbraw/zinc/94/74/18/1351947418.db2.gz BLRWMQMENAGUCD-MRVPVSSYSA-N -1 1 334.380 2.322 20 0 EEADMM COc1cccc(F)c1[C@@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001609361860 1351947420 /nfs/dbraw/zinc/94/74/20/1351947420.db2.gz BLRWMQMENAGUCD-MRVPVSSYSA-N -1 1 334.380 2.322 20 0 EEADMM CSCCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609371624 1351949766 /nfs/dbraw/zinc/94/97/66/1351949766.db2.gz UDNXRDUUXKJSED-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM CSCCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609371624 1351949768 /nfs/dbraw/zinc/94/97/68/1351949768.db2.gz UDNXRDUUXKJSED-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609457858 1351984879 /nfs/dbraw/zinc/98/48/79/1351984879.db2.gz CCYLIOBFHVAOKS-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609457858 1351984883 /nfs/dbraw/zinc/98/48/83/1351984883.db2.gz CCYLIOBFHVAOKS-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC1Cc2ccccc2C1 ZINC001609467417 1351988667 /nfs/dbraw/zinc/98/86/67/1351988667.db2.gz FNVHGWVXSHHMIW-UHFFFAOYSA-N -1 1 337.383 2.303 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC1Cc2ccccc2C1 ZINC001609467417 1351988668 /nfs/dbraw/zinc/98/86/68/1351988668.db2.gz FNVHGWVXSHHMIW-UHFFFAOYSA-N -1 1 337.383 2.303 20 0 EEADMM Clc1nsc(N2CCOC[C@H](C3CCC3)C2)c1-c1nnn[n-]1 ZINC001609474620 1351991113 /nfs/dbraw/zinc/99/11/13/1351991113.db2.gz JUQIHUCHIKNGFQ-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCOC[C@H](C3CCC3)C2)c1-c1nn[n-]n1 ZINC001609474620 1351991114 /nfs/dbraw/zinc/99/11/14/1351991114.db2.gz JUQIHUCHIKNGFQ-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Fc1ccc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)cc1F ZINC001609489930 1351996103 /nfs/dbraw/zinc/99/61/03/1351996103.db2.gz PNCHJDIAOIWRFB-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)cc1F ZINC001609489930 1351996106 /nfs/dbraw/zinc/99/61/06/1351996106.db2.gz PNCHJDIAOIWRFB-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM O=C(CCCOC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609523215 1352003847 /nfs/dbraw/zinc/00/38/47/1352003847.db2.gz KOKMQICRCBQLKI-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM O=C(CCCOC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609523215 1352003850 /nfs/dbraw/zinc/00/38/50/1352003850.db2.gz KOKMQICRCBQLKI-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM O=C(NC[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609546045 1352011268 /nfs/dbraw/zinc/01/12/68/1352011268.db2.gz YFZCXDADYLORCH-SSDOTTSWSA-N -1 1 342.737 2.080 20 0 EEADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609545757 1352011401 /nfs/dbraw/zinc/01/14/01/1352011401.db2.gz NZGKKWPYDVUUMM-UHFFFAOYSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609545757 1352011404 /nfs/dbraw/zinc/01/14/04/1352011404.db2.gz NZGKKWPYDVUUMM-UHFFFAOYSA-N -1 1 334.383 2.185 20 0 EEADMM COc1cc2[n-]cc(C(=O)NC/C=C\C3CC3)c(=O)c2c(OC)c1 ZINC001335282981 1336360085 /nfs/dbraw/zinc/36/00/85/1336360085.db2.gz MEBKZHARZFBDFS-ARJAWSKDSA-N -1 1 328.368 2.241 20 0 EEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCNC(C)(C)C1 ZINC001609713456 1352065985 /nfs/dbraw/zinc/06/59/85/1352065985.db2.gz PEPQXZVXSMJFSG-UHFFFAOYSA-N -1 1 335.404 2.388 20 0 EEADMM CC(C)c1nc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)n[nH]1 ZINC001609722507 1352068946 /nfs/dbraw/zinc/06/89/46/1352068946.db2.gz KQHFGJDTUSBADQ-UHFFFAOYSA-N -1 1 339.302 2.226 20 0 EEADMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001609877343 1352109385 /nfs/dbraw/zinc/10/93/85/1352109385.db2.gz QQZUKRUZVSEBLH-HZMBPMFUSA-N -1 1 329.356 2.178 20 0 EEADMM CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C(C)(C)C ZINC001609957341 1352129709 /nfs/dbraw/zinc/12/97/09/1352129709.db2.gz ZBBBUWBZJWNADX-KBPBESRZSA-N -1 1 327.469 2.392 20 0 EEADMM Cc1cccc(CN(C)c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)n1 ZINC001345373759 1337441286 /nfs/dbraw/zinc/44/12/86/1337441286.db2.gz KXHZFGZIJBDMKI-UHFFFAOYSA-N -1 1 339.403 2.124 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1cc2ccccc2[nH]c1=O ZINC001351013631 1337781536 /nfs/dbraw/zinc/78/15/36/1337781536.db2.gz ULLLFUTZBXSUFL-UHFFFAOYSA-N -1 1 346.383 2.263 20 0 EEADMM CCn1ncc(Cl)c1C(=O)[N-]n1c(C)nc2sccc2c1=O ZINC001352017513 1337877735 /nfs/dbraw/zinc/87/77/35/1337877735.db2.gz LMZIVCMFELYVHH-UHFFFAOYSA-N -1 1 337.792 2.020 20 0 EEADMM COC(=O)[C@@H]1CSCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001610179325 1352179849 /nfs/dbraw/zinc/17/98/49/1352179849.db2.gz PILHEUXFGYRFCC-NSHDSACASA-N -1 1 343.832 2.376 20 0 EEADMM COCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC001610257691 1352195489 /nfs/dbraw/zinc/19/54/89/1352195489.db2.gz VMSAJYMOQGWZLQ-BBRMVZONSA-N -1 1 334.416 2.460 20 0 EEADMM COc1cccc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610356033 1352210082 /nfs/dbraw/zinc/21/00/82/1352210082.db2.gz SQYCROSKEJYJCZ-UHFFFAOYSA-N -1 1 325.324 2.451 20 0 EEADMM COc1ccccc1C(C)(C)NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001610364309 1352211090 /nfs/dbraw/zinc/21/10/90/1352211090.db2.gz LIXIRLNPWJONSH-UHFFFAOYSA-N -1 1 343.383 2.252 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]1[C@H]1CCCO1 ZINC001610488708 1352231613 /nfs/dbraw/zinc/23/16/13/1352231613.db2.gz RSNYRISQWHDART-JKSUJKDBSA-N -1 1 332.400 2.275 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)[O-])n[nH]2)c(C)c1 ZINC001610479546 1352229605 /nfs/dbraw/zinc/22/96/05/1352229605.db2.gz KTPYREGAUHKVPS-ZDUSSCGKSA-N -1 1 343.383 2.009 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)Nc3cncc(C(=O)[O-])c3)cc2s1 ZINC001610560499 1352244873 /nfs/dbraw/zinc/24/48/73/1352244873.db2.gz MFBCFSIFNWVTJG-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cn1nccc1[C@H](NCc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC001610616048 1352254504 /nfs/dbraw/zinc/25/45/04/1352254504.db2.gz RMIBYOYLFGMDHB-INIZCTEOSA-N -1 1 329.400 2.439 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC001610701921 1352261774 /nfs/dbraw/zinc/26/17/74/1352261774.db2.gz XSJQGTZCFYQNDB-VIFPVBQESA-N -1 1 338.776 2.032 20 0 EEADMM O=C([O-])C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001610762731 1352270534 /nfs/dbraw/zinc/27/05/34/1352270534.db2.gz FTGXLGUJSZJGAA-LLVKDONJSA-N -1 1 346.305 2.463 20 0 EEADMM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001610762731 1352270537 /nfs/dbraw/zinc/27/05/37/1352270537.db2.gz FTGXLGUJSZJGAA-LLVKDONJSA-N -1 1 346.305 2.463 20 0 EEADMM O=C([O-])c1ccc(CCc2nc([C@@H]3CN4CCC3CC4)no2)cc1 ZINC001610824901 1352281086 /nfs/dbraw/zinc/28/10/86/1352281086.db2.gz SECNUYWWWFTEQH-OAHLLOKOSA-N -1 1 327.384 2.362 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001431428563 1340592629 /nfs/dbraw/zinc/59/26/29/1340592629.db2.gz OEVWXAFZZJHYBN-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001617915987 1352346191 /nfs/dbraw/zinc/34/61/91/1352346191.db2.gz YWPDXEPRALMYTB-QGZVFWFLSA-N -1 1 338.367 2.461 20 0 EEADMM CCC1(CC)[C@H](NS(=O)(=O)c2cc(OC)ccc2[O-])C[C@@H]1OC ZINC001434559529 1341872729 /nfs/dbraw/zinc/87/27/29/1341872729.db2.gz JQAMLNRTLRTSIH-CABCVRRESA-N -1 1 343.445 2.273 20 0 EEADMM COc1cc(CN2CCN(C(=O)c3ncccc3[O-])CC2)ccc1C ZINC001434856998 1341970016 /nfs/dbraw/zinc/97/00/16/1341970016.db2.gz ISWDUWHTGJPWLU-UHFFFAOYSA-N -1 1 341.411 2.062 20 0 EEADMM C[C@H](CN(C)C(=O)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F)c1nn[n-]n1 ZINC001552148145 1342339349 /nfs/dbraw/zinc/33/93/49/1342339349.db2.gz YEGPOJZMIQDPJF-URVOOWSZSA-N -1 1 345.369 2.376 20 0 EEADMM CC[C@H]1CCC[C@H]1CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155838 1344096340 /nfs/dbraw/zinc/09/63/40/1344096340.db2.gz GRWQPWPJMKCZAT-QWRGUYRKSA-N -1 1 345.407 2.218 20 0 EEADMM CC[C@H]1CCCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001577160910 1344096845 /nfs/dbraw/zinc/09/68/45/1344096845.db2.gz KFGXLLKTGBZBKD-LBPRGKRZSA-N -1 1 342.407 2.034 20 0 EEADMM CC[C@H]1CCCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001577160910 1344096849 /nfs/dbraw/zinc/09/68/49/1344096849.db2.gz KFGXLLKTGBZBKD-LBPRGKRZSA-N -1 1 342.407 2.034 20 0 EEADMM CCCC(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001577203279 1344104646 /nfs/dbraw/zinc/10/46/46/1344104646.db2.gz UQTUEIPFKIKZSS-VIFPVBQESA-N -1 1 337.453 2.129 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001577300074 1344124406 /nfs/dbraw/zinc/12/44/06/1344124406.db2.gz FQRTYTIZVSEGPM-SNVBAGLBSA-N -1 1 341.412 2.110 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001578514765 1344286354 /nfs/dbraw/zinc/28/63/54/1344286354.db2.gz IBELJAMTPLRNBN-UHFFFAOYSA-N -1 1 329.751 2.125 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001578514765 1344286358 /nfs/dbraw/zinc/28/63/58/1344286358.db2.gz IBELJAMTPLRNBN-UHFFFAOYSA-N -1 1 329.751 2.125 20 0 EEADMM CN(C(=O)c1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578911631 1344318173 /nfs/dbraw/zinc/31/81/73/1344318173.db2.gz HBAQYSNYBFZPPZ-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578911631 1344318175 /nfs/dbraw/zinc/31/81/75/1344318175.db2.gz HBAQYSNYBFZPPZ-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM COCc1csc(CNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001579838473 1344420989 /nfs/dbraw/zinc/42/09/89/1344420989.db2.gz KGIDATCNSHDVBX-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COCc1csc(CNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001579838473 1344420992 /nfs/dbraw/zinc/42/09/92/1344420992.db2.gz KGIDATCNSHDVBX-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COc1ncc(NC(=O)NC[C@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001580135963 1344479103 /nfs/dbraw/zinc/47/91/03/1344479103.db2.gz HQDCFSMLENLOMQ-VIFPVBQESA-N -1 1 333.396 2.074 20 0 EEADMM CSc1cc(F)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001580230309 1344494950 /nfs/dbraw/zinc/49/49/50/1344494950.db2.gz BKWNCTLIIAHZOB-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CSc1cc(F)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001580230309 1344494952 /nfs/dbraw/zinc/49/49/52/1344494952.db2.gz BKWNCTLIIAHZOB-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM Cc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1Br ZINC001581241126 1344604663 /nfs/dbraw/zinc/60/46/63/1344604663.db2.gz VIBYSBPZJLAJTQ-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM Cc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1Br ZINC001581241126 1344604670 /nfs/dbraw/zinc/60/46/70/1344604670.db2.gz VIBYSBPZJLAJTQ-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM Cc1nsc(NC2CC(N(C)C(=O)C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC001581698612 1344654837 /nfs/dbraw/zinc/65/48/37/1344654837.db2.gz FRKAYGUXXXLKON-UHFFFAOYSA-N -1 1 349.464 2.079 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001582301850 1344727139 /nfs/dbraw/zinc/72/71/39/1344727139.db2.gz WORCWCWWYCEADT-CYBMUJFWSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001582301850 1344727141 /nfs/dbraw/zinc/72/71/41/1344727141.db2.gz WORCWCWWYCEADT-CYBMUJFWSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1ccsc1-c1nnn[n-]1 ZINC001582327760 1344732482 /nfs/dbraw/zinc/73/24/82/1344732482.db2.gz IPDKGJCXDOFNNQ-GFCCVEGCSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1ccsc1-c1nn[n-]n1 ZINC001582327760 1344732485 /nfs/dbraw/zinc/73/24/85/1344732485.db2.gz IPDKGJCXDOFNNQ-GFCCVEGCSA-N -1 1 327.369 2.051 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CC[C@@H](O)c1ccccc1 ZINC001582805930 1344794069 /nfs/dbraw/zinc/79/40/69/1344794069.db2.gz CMVQPONRBULMAD-QGZVFWFLSA-N -1 1 347.378 2.305 20 0 EEADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001586164008 1348844674 /nfs/dbraw/zinc/84/46/74/1348844674.db2.gz BPYOHKMTWCLTMU-UHFFFAOYSA-N -1 1 340.314 2.068 20 0 EEADMM CC(C)(C)[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001589096941 1348958651 /nfs/dbraw/zinc/95/86/51/1348958651.db2.gz WUPKEJYCAGSQNB-ZDUSSCGKSA-N -1 1 327.367 2.417 20 0 EEADMM CC(C)(C)OC(=O)N1CC(COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589158051 1348966662 /nfs/dbraw/zinc/96/66/62/1348966662.db2.gz QBRWIEIAJZGZFS-UHFFFAOYSA-N -1 1 349.366 2.252 20 0 EEADMM CC(C)(C)OC(=O)N1CC(COc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589158051 1348966665 /nfs/dbraw/zinc/96/66/65/1348966665.db2.gz QBRWIEIAJZGZFS-UHFFFAOYSA-N -1 1 349.366 2.252 20 0 EEADMM CC(C)C(=O)Nc1cccc(OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001589412471 1348988861 /nfs/dbraw/zinc/98/88/61/1348988861.db2.gz IFONOMSGZAGOLR-UHFFFAOYSA-N -1 1 344.400 2.497 20 0 EEADMM CC(C)C(=O)Nc1cccc(OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001589412471 1348988864 /nfs/dbraw/zinc/98/88/64/1348988864.db2.gz IFONOMSGZAGOLR-UHFFFAOYSA-N -1 1 344.400 2.497 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589490301 1348995167 /nfs/dbraw/zinc/99/51/67/1348995167.db2.gz JWVJQTKPPCYRSH-MEDUHNTESA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589490301 1348995169 /nfs/dbraw/zinc/99/51/69/1348995169.db2.gz JWVJQTKPPCYRSH-MEDUHNTESA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589499984 1348997012 /nfs/dbraw/zinc/99/70/12/1348997012.db2.gz VJKWINZRVLTOPJ-RISCZKNCSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589499984 1348997016 /nfs/dbraw/zinc/99/70/16/1348997016.db2.gz VJKWINZRVLTOPJ-RISCZKNCSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)CCCCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001589592545 1349008347 /nfs/dbraw/zinc/00/83/47/1349008347.db2.gz BJSMYORLVUYXFV-UHFFFAOYSA-N -1 1 344.419 2.489 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589760686 1349032191 /nfs/dbraw/zinc/03/21/91/1349032191.db2.gz MGQGFRBDTOAYBP-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589760686 1349032193 /nfs/dbraw/zinc/03/21/93/1349032193.db2.gz MGQGFRBDTOAYBP-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CCC2 ZINC001589781582 1349040272 /nfs/dbraw/zinc/04/02/72/1349040272.db2.gz ARHXFJXSWHBMNH-GFCCVEGCSA-N -1 1 341.375 2.045 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCC2 ZINC001589781582 1349040278 /nfs/dbraw/zinc/04/02/78/1349040278.db2.gz ARHXFJXSWHBMNH-GFCCVEGCSA-N -1 1 341.375 2.045 20 0 EEADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1c[nH]c2ccccc21 ZINC001589794215 1349044063 /nfs/dbraw/zinc/04/40/63/1349044063.db2.gz LKESABPNGAHONM-SECBINFHSA-N -1 1 336.359 2.203 20 0 EEADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]c2ccccc21 ZINC001589794215 1349044068 /nfs/dbraw/zinc/04/40/68/1349044068.db2.gz LKESABPNGAHONM-SECBINFHSA-N -1 1 336.359 2.203 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001589835280 1349052421 /nfs/dbraw/zinc/05/24/21/1349052421.db2.gz QKNIMKMMHWERHQ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001589835280 1349052427 /nfs/dbraw/zinc/05/24/27/1349052427.db2.gz QKNIMKMMHWERHQ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(N(C)C)cn1 ZINC001590013281 1349107660 /nfs/dbraw/zinc/10/76/60/1349107660.db2.gz BRKPFBAUNDNJCD-SECBINFHSA-N -1 1 344.400 2.307 20 0 EEADMM C[C@@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(N(C)C)cn1 ZINC001590013281 1349107674 /nfs/dbraw/zinc/10/76/74/1349107674.db2.gz BRKPFBAUNDNJCD-SECBINFHSA-N -1 1 344.400 2.307 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nnn[n-]2)C[C@@](C)(C(F)(F)F)O1 ZINC001590108250 1349157484 /nfs/dbraw/zinc/15/74/84/1349157484.db2.gz MFIRDRDWVNCBSS-ZDUSSCGKSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nn[n-]n2)C[C@@](C)(C(F)(F)F)O1 ZINC001590108250 1349157490 /nfs/dbraw/zinc/15/74/90/1349157490.db2.gz MFIRDRDWVNCBSS-ZDUSSCGKSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1[C@H]1CCCO1 ZINC001590109430 1349159715 /nfs/dbraw/zinc/15/97/15/1349159715.db2.gz XNLDCTWLOFNYGG-VXNVDRBHSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1[C@H]1CCCO1 ZINC001590109430 1349159727 /nfs/dbraw/zinc/15/97/27/1349159727.db2.gz XNLDCTWLOFNYGG-VXNVDRBHSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@H]2C[C@H]2C1 ZINC001590131804 1349168794 /nfs/dbraw/zinc/16/87/94/1349168794.db2.gz GHBQNUYYCSMXMY-ZZCKJEPUSA-N -1 1 332.795 2.081 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590252868 1349227702 /nfs/dbraw/zinc/22/77/02/1349227702.db2.gz OQUMHUBEFWNNIR-NXEZZACHSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590252868 1349227709 /nfs/dbraw/zinc/22/77/09/1349227709.db2.gz OQUMHUBEFWNNIR-NXEZZACHSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)C1(F)F ZINC001590298276 1349250106 /nfs/dbraw/zinc/25/01/06/1349250106.db2.gz JGGJTBIKEQIKKU-OCAPTIKFSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)C1(F)F ZINC001590298276 1349250109 /nfs/dbraw/zinc/25/01/09/1349250109.db2.gz JGGJTBIKEQIKKU-OCAPTIKFSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@H]1OCC[C@H]1c1nnc(-c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001590337843 1349273201 /nfs/dbraw/zinc/27/32/01/1349273201.db2.gz PHUJIQGTXKWKKF-HTRCEHHLSA-N -1 1 334.286 2.087 20 0 EEADMM C[C@H]1OCC[C@H]1c1nnc(-c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001590337843 1349273205 /nfs/dbraw/zinc/27/32/05/1349273205.db2.gz PHUJIQGTXKWKKF-HTRCEHHLSA-N -1 1 334.286 2.087 20 0 EEADMM CCC(=O)Nc1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001590365696 1349285556 /nfs/dbraw/zinc/28/55/56/1349285556.db2.gz YGRMGGVOYRRNSM-UHFFFAOYSA-N -1 1 329.389 2.284 20 0 EEADMM CCC(=O)Nc1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001590365696 1349285564 /nfs/dbraw/zinc/28/55/64/1349285564.db2.gz YGRMGGVOYRRNSM-UHFFFAOYSA-N -1 1 329.389 2.284 20 0 EEADMM CC[C@H](C)C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001590394589 1349300661 /nfs/dbraw/zinc/30/06/61/1349300661.db2.gz AWUVSKKREPJKPE-HIFPTAJRSA-N -1 1 344.419 2.114 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001590431646 1349322257 /nfs/dbraw/zinc/32/22/57/1349322257.db2.gz MZIUMXIZUMUTOC-BBRMVZONSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001590431646 1349322266 /nfs/dbraw/zinc/32/22/66/1349322266.db2.gz MZIUMXIZUMUTOC-BBRMVZONSA-N -1 1 330.436 2.388 20 0 EEADMM CC[C@H](CSC)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590450733 1349332359 /nfs/dbraw/zinc/33/23/59/1349332359.db2.gz XXTVMVBGTGDACE-MRVPVSSYSA-N -1 1 327.360 2.016 20 0 EEADMM CC[C@H](CSC)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590450733 1349332365 /nfs/dbraw/zinc/33/23/65/1349332365.db2.gz XXTVMVBGTGDACE-MRVPVSSYSA-N -1 1 327.360 2.016 20 0 EEADMM CC[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001590457569 1349335212 /nfs/dbraw/zinc/33/52/12/1349335212.db2.gz RLKSBMVCTSSFHL-NSHDSACASA-N -1 1 342.363 2.139 20 0 EEADMM CC[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001590457569 1349335216 /nfs/dbraw/zinc/33/52/16/1349335216.db2.gz RLKSBMVCTSSFHL-NSHDSACASA-N -1 1 342.363 2.139 20 0 EEADMM CC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC001590460109 1349336310 /nfs/dbraw/zinc/33/63/10/1349336310.db2.gz WBYLCRSJMQTPLV-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC001590460109 1349336314 /nfs/dbraw/zinc/33/63/14/1349336314.db2.gz WBYLCRSJMQTPLV-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CCC(O)(CC)C(C)(C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590474286 1349348096 /nfs/dbraw/zinc/34/80/96/1349348096.db2.gz CUAGYUIFIFBCOQ-UHFFFAOYSA-N -1 1 337.449 2.235 20 0 EEADMM CCC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC001590497328 1349356012 /nfs/dbraw/zinc/35/60/12/1349356012.db2.gz KYNKRYSUENNFIE-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCc1nc(NC[C@@H](C)Oc2cccc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590917718 1349413048 /nfs/dbraw/zinc/41/30/48/1349413048.db2.gz YXVOIPXFHFUTBJ-SNVBAGLBSA-N -1 1 343.366 2.238 20 0 EEADMM CCc1nc(NC[C@@H](C)Oc2cccc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590917718 1349413051 /nfs/dbraw/zinc/41/30/51/1349413051.db2.gz YXVOIPXFHFUTBJ-SNVBAGLBSA-N -1 1 343.366 2.238 20 0 EEADMM CCc1nc(NCc2ccc3c(n2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001590922984 1349414264 /nfs/dbraw/zinc/41/42/64/1349414264.db2.gz FSXYWFXZPPOEHM-UHFFFAOYSA-N -1 1 336.403 2.105 20 0 EEADMM CCc1nc(NCc2ccc3c(n2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001590922984 1349414269 /nfs/dbraw/zinc/41/42/69/1349414269.db2.gz FSXYWFXZPPOEHM-UHFFFAOYSA-N -1 1 336.403 2.105 20 0 EEADMM CCc1noc(C)c1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590934453 1349419890 /nfs/dbraw/zinc/41/98/90/1349419890.db2.gz JWYQAOJZOTVQMH-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591336975 1349463989 /nfs/dbraw/zinc/46/39/89/1349463989.db2.gz XRDKSWGSSJWEQS-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591336975 1349464002 /nfs/dbraw/zinc/46/40/02/1349464002.db2.gz XRDKSWGSSJWEQS-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(OCC3CC3)c2c1 ZINC001591551698 1349503906 /nfs/dbraw/zinc/50/39/06/1349503906.db2.gz SDASILQGDITRSO-UHFFFAOYSA-N -1 1 327.344 2.221 20 0 EEADMM COc1ccc2[nH]nc(NC(=O)c3csc(-c4nn[n-]n4)c3)c2c1 ZINC001591625108 1349517787 /nfs/dbraw/zinc/51/77/87/1349517787.db2.gz SFPJALROEQXTDK-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591648288 1349523560 /nfs/dbraw/zinc/52/35/60/1349523560.db2.gz CQQXFHNKEWTLEC-ZDUSSCGKSA-N -1 1 339.355 2.446 20 0 EEADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591648288 1349523564 /nfs/dbraw/zinc/52/35/64/1349523564.db2.gz CQQXFHNKEWTLEC-ZDUSSCGKSA-N -1 1 339.355 2.446 20 0 EEADMM C[C@@H](NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1)C1CC1 ZINC001591730430 1349536611 /nfs/dbraw/zinc/53/66/11/1349536611.db2.gz OGNREJVTQZMTFB-MRVPVSSYSA-N -1 1 349.441 2.158 20 0 EEADMM Clc1ccc(NCC2(Br)CC2)nc1-c1nnn[n-]1 ZINC001592531847 1349649071 /nfs/dbraw/zinc/64/90/71/1349649071.db2.gz CIQBGXGLWCOLFJ-UHFFFAOYSA-N -1 1 329.589 2.255 20 0 EEADMM Clc1ccc(NCC2(Br)CC2)nc1-c1nn[n-]n1 ZINC001592531847 1349649074 /nfs/dbraw/zinc/64/90/74/1349649074.db2.gz CIQBGXGLWCOLFJ-UHFFFAOYSA-N -1 1 329.589 2.255 20 0 EEADMM Cc1ccoc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592282135 1349616274 /nfs/dbraw/zinc/61/62/74/1349616274.db2.gz MTFGQZDWDRITGN-UHFFFAOYSA-N -1 1 332.751 2.089 20 0 EEADMM Cc1[nH]nc(NCc2ccc3c(c2)CC(C)(C)O3)c1-c1nnn[n-]1 ZINC001592330845 1349621588 /nfs/dbraw/zinc/62/15/88/1349621588.db2.gz NJPOUPVLUGVUFR-UHFFFAOYSA-N -1 1 325.376 2.224 20 0 EEADMM Cc1[nH]nc(NCc2ccc3c(c2)CC(C)(C)O3)c1-c1nn[n-]n1 ZINC001592330845 1349621594 /nfs/dbraw/zinc/62/15/94/1349621594.db2.gz NJPOUPVLUGVUFR-UHFFFAOYSA-N -1 1 325.376 2.224 20 0 EEADMM Cc1ccccc1O[C@@H](C)CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592384287 1349625776 /nfs/dbraw/zinc/62/57/76/1349625776.db2.gz JIEANAMQAWVXQA-NSHDSACASA-N -1 1 325.376 2.153 20 0 EEADMM Cc1ccccc1O[C@@H](C)CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592384287 1349625777 /nfs/dbraw/zinc/62/57/77/1349625777.db2.gz JIEANAMQAWVXQA-NSHDSACASA-N -1 1 325.376 2.153 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC001592503902 1349640401 /nfs/dbraw/zinc/64/04/01/1349640401.db2.gz XWLCXBYZDMYNIK-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC001592503902 1349640403 /nfs/dbraw/zinc/64/04/03/1349640403.db2.gz XWLCXBYZDMYNIK-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001592593796 1349665133 /nfs/dbraw/zinc/66/51/33/1349665133.db2.gz MBQKRJKHGGUFQC-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001592593796 1349665144 /nfs/dbraw/zinc/66/51/44/1349665144.db2.gz MBQKRJKHGGUFQC-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM FC1(F)[C@@H](CNc2ncncc2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC001592631858 1349681682 /nfs/dbraw/zinc/68/16/82/1349681682.db2.gz YHCFNBGTSWAAQA-RYUDHWBXSA-N -1 1 329.314 2.118 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nnn[n-]3)c1)CCS2 ZINC001592653050 1349698802 /nfs/dbraw/zinc/69/88/02/1349698802.db2.gz HFKKBHQSMLEAIL-LBPRGKRZSA-N -1 1 328.376 2.472 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)c1)CCS2 ZINC001592653050 1349698804 /nfs/dbraw/zinc/69/88/04/1349698804.db2.gz HFKKBHQSMLEAIL-LBPRGKRZSA-N -1 1 328.376 2.472 20 0 EEADMM O=C(COc1cccc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592895263 1349724769 /nfs/dbraw/zinc/72/47/69/1349724769.db2.gz DNKKOTIGWDXWGD-UHFFFAOYSA-N -1 1 346.350 2.432 20 0 EEADMM O=C(COc1cccc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592895263 1349724774 /nfs/dbraw/zinc/72/47/74/1349724774.db2.gz DNKKOTIGWDXWGD-UHFFFAOYSA-N -1 1 346.350 2.432 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc2c(ccnc2Cl)o1 ZINC001593245286 1349749196 /nfs/dbraw/zinc/74/91/96/1349749196.db2.gz IUJOJBFXBUTRSX-UHFFFAOYSA-N -1 1 341.718 2.309 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc2c(ccnc2Cl)o1 ZINC001593245286 1349749197 /nfs/dbraw/zinc/74/91/97/1349749197.db2.gz IUJOJBFXBUTRSX-UHFFFAOYSA-N -1 1 341.718 2.309 20 0 EEADMM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593269396 1349757606 /nfs/dbraw/zinc/75/76/06/1349757606.db2.gz KHKUJUDKJDRACQ-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(OCCCc1ccncc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593288931 1349765099 /nfs/dbraw/zinc/76/50/99/1349765099.db2.gz CDUZDPBPOOVSBZ-UHFFFAOYSA-N -1 1 344.762 2.100 20 0 EEADMM O=C(OCCOC1CCCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593290239 1349765788 /nfs/dbraw/zinc/76/57/88/1349765788.db2.gz IGLJOSBUKPTNEB-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCCOC1CCCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593290239 1349765791 /nfs/dbraw/zinc/76/57/91/1349765791.db2.gz IGLJOSBUKPTNEB-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593298032 1349772124 /nfs/dbraw/zinc/77/21/24/1349772124.db2.gz WVRFVFBRUBWMFJ-BLLLJJGKSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593298032 1349772129 /nfs/dbraw/zinc/77/21/29/1349772129.db2.gz WVRFVFBRUBWMFJ-BLLLJJGKSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1([C@H]2CCCCO2)CCC1 ZINC001593297923 1349772145 /nfs/dbraw/zinc/77/21/45/1349772145.db2.gz RRLZBLFOQXGHPI-CYBMUJFWSA-N -1 1 332.360 2.242 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1([C@H]2CCCCO2)CCC1 ZINC001593297923 1349772148 /nfs/dbraw/zinc/77/21/48/1349772148.db2.gz RRLZBLFOQXGHPI-CYBMUJFWSA-N -1 1 332.360 2.242 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)ccc(F)c1F ZINC001593302399 1349774145 /nfs/dbraw/zinc/77/41/45/1349774145.db2.gz XOEJUVBXMPVTGF-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)ccc(F)c1F ZINC001593302399 1349774150 /nfs/dbraw/zinc/77/41/50/1349774150.db2.gz XOEJUVBXMPVTGF-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC(F)(F)CC1 ZINC001593314151 1349778383 /nfs/dbraw/zinc/77/83/83/1349778383.db2.gz XVXGAQDNRLYRQS-UHFFFAOYSA-N -1 1 332.314 2.219 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593329476 1349782363 /nfs/dbraw/zinc/78/23/63/1349782363.db2.gz LYBPZJZXIINCME-XHDPSFHLSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593329476 1349782364 /nfs/dbraw/zinc/78/23/64/1349782364.db2.gz LYBPZJZXIINCME-XHDPSFHLSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001593366777 1349790972 /nfs/dbraw/zinc/79/09/72/1349790972.db2.gz AELACKUVNGHUEK-INIZCTEOSA-N -1 1 327.319 2.171 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC001593366777 1349790976 /nfs/dbraw/zinc/79/09/76/1349790976.db2.gz AELACKUVNGHUEK-INIZCTEOSA-N -1 1 327.319 2.171 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2cc(F)c(F)cc2C1 ZINC001593370067 1349792068 /nfs/dbraw/zinc/79/20/68/1349792068.db2.gz BTIHJGLVHHZXEZ-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-c2nn[nH]n2)o1 ZINC001593444700 1349799784 /nfs/dbraw/zinc/79/97/84/1349799784.db2.gz BGBRHCMNDSTXQG-UHFFFAOYSA-N -1 1 343.727 2.053 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCSc1ccccc1)CCC2 ZINC001593491088 1349817418 /nfs/dbraw/zinc/81/74/18/1349817418.db2.gz WAVDFGXDVWGBOL-UHFFFAOYSA-N -1 1 339.424 2.309 20 0 EEADMM Oc1cccc2c1CC[C@@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593540093 1349836554 /nfs/dbraw/zinc/83/65/54/1349836554.db2.gz OABYTOUYNQHAEU-LBPRGKRZSA-N -1 1 335.371 2.339 20 0 EEADMM Oc1cccc2c1CC[C@@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593540093 1349836559 /nfs/dbraw/zinc/83/65/59/1349836559.db2.gz OABYTOUYNQHAEU-LBPRGKRZSA-N -1 1 335.371 2.339 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)cc(-c2nnn[n-]2)n1 ZINC001593545175 1349841128 /nfs/dbraw/zinc/84/11/28/1349841128.db2.gz XSOACENCRGNEBP-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)cc(-c2nn[n-]n2)n1 ZINC001593545175 1349841132 /nfs/dbraw/zinc/84/11/32/1349841132.db2.gz XSOACENCRGNEBP-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM c1cc(NCc2ccc(OC3CCCC3)cc2)nc(-c2nn[n-]n2)n1 ZINC001593560520 1349849801 /nfs/dbraw/zinc/84/98/01/1349849801.db2.gz DUTJYMGVMIKTRF-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM c1cc(CNc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)n[nH]1 ZINC001593563075 1349850261 /nfs/dbraw/zinc/85/02/61/1349850261.db2.gz PXTUKOGLLMYJFG-UHFFFAOYSA-N -1 1 334.343 2.389 20 0 EEADMM c1cc(CNc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)n[nH]1 ZINC001593563075 1349850264 /nfs/dbraw/zinc/85/02/64/1349850264.db2.gz PXTUKOGLLMYJFG-UHFFFAOYSA-N -1 1 334.343 2.389 20 0 EEADMM c1cnc2cc(CNc3n[nH]c(C4CC4)c3-c3nnn[n-]3)ccc2n1 ZINC001593587635 1349866583 /nfs/dbraw/zinc/86/65/83/1349866583.db2.gz MONAKYZGFWBHRE-UHFFFAOYSA-N -1 1 333.359 2.023 20 0 EEADMM c1cnc2cc(CNc3n[nH]c(C4CC4)c3-c3nn[n-]n3)ccc2n1 ZINC001593587635 1349866587 /nfs/dbraw/zinc/86/65/87/1349866587.db2.gz MONAKYZGFWBHRE-UHFFFAOYSA-N -1 1 333.359 2.023 20 0 EEADMM Cc1c(C(=O)Nc2nc(CCC(=O)[O-])cs2)ccc2cncn21 ZINC001599985170 1349949747 /nfs/dbraw/zinc/94/97/47/1349949747.db2.gz KGIUJZLQAFKDQC-UHFFFAOYSA-N -1 1 330.369 2.369 20 0 EEADMM Cc1cc(C)cc(OCC[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600176008 1349985885 /nfs/dbraw/zinc/98/58/85/1349985885.db2.gz ZMJSDJMCHLNZCA-NLGTXKQRSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001600175838 1349986075 /nfs/dbraw/zinc/98/60/75/1349986075.db2.gz LLVSBBBUZJJJOJ-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)[nH]c1C(=O)[O-] ZINC001600189213 1349988724 /nfs/dbraw/zinc/98/87/24/1349988724.db2.gz SBTJHUNMWZKWHM-NSHDSACASA-N -1 1 325.409 2.366 20 0 EEADMM Cc1cc(CCC(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001600188582 1349988843 /nfs/dbraw/zinc/98/88/43/1349988843.db2.gz GABZUXFEHSAAEE-NSHDSACASA-N -1 1 348.428 2.212 20 0 EEADMM Cc1cc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)[nH]c1C(=O)[O-] ZINC001600203437 1349992380 /nfs/dbraw/zinc/99/23/80/1349992380.db2.gz KXLXBUUKRDLTCN-HNNXBMFYSA-N -1 1 329.400 2.331 20 0 EEADMM Cc1cc(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)ccc1N1CCN(C)CC1 ZINC001600281621 1350009870 /nfs/dbraw/zinc/00/98/70/1350009870.db2.gz WUTQAQUCXUWMGJ-ZFWWWQNUSA-N -1 1 339.386 2.125 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@@H]2CSC[C@]2(C)C1 ZINC001600356044 1350028281 /nfs/dbraw/zinc/02/82/81/1350028281.db2.gz RSBFCYVCAJCKIR-DYVFJYSZSA-N -1 1 334.441 2.317 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC001600376086 1350034168 /nfs/dbraw/zinc/03/41/68/1350034168.db2.gz JNASIUGJYOSCLX-BPLDGKMQSA-N -1 1 349.431 2.087 20 0 EEADMM Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3CC(C(=O)[O-])=NO3)n2)o1 ZINC001600397582 1350040619 /nfs/dbraw/zinc/04/06/19/1350040619.db2.gz UHORWFXNRMAWAN-LWTINBJPSA-N -1 1 334.357 2.198 20 0 EEADMM Cc1ccc(CN2CC[C@H](NC(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC001600412365 1350044279 /nfs/dbraw/zinc/04/42/79/1350044279.db2.gz GEGSGUKGVXQMKP-HNNXBMFYSA-N -1 1 328.368 2.291 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600533314 1350075677 /nfs/dbraw/zinc/07/56/77/1350075677.db2.gz LVGDPMOQVQECEM-ZDUSSCGKSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c21 ZINC001600554602 1350081006 /nfs/dbraw/zinc/08/10/06/1350081006.db2.gz GVDGWXGMEYYXPW-AWEZNQCLSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccccc1C1CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC001600578053 1350087982 /nfs/dbraw/zinc/08/79/82/1350087982.db2.gz ODLZWOMJWVCINF-SFHVURJKSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccnc(-c2nnc([C@H](C)[NH2+]Cc3ccc(C(=O)[O-])[nH]3)[n-]2)c1 ZINC001600599575 1350094329 /nfs/dbraw/zinc/09/43/29/1350094329.db2.gz VPNLRSMIJGOLPS-JTQLQIEISA-N -1 1 326.360 2.052 20 0 EEADMM Cc1nc([C@@H](C)N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n[nH]1 ZINC001600667536 1350113569 /nfs/dbraw/zinc/11/35/69/1350113569.db2.gz XGHIHTBOTRUECS-SECBINFHSA-N -1 1 335.433 2.284 20 0 EEADMM Cc1[nH]ncc1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001600674510 1350114430 /nfs/dbraw/zinc/11/44/30/1350114430.db2.gz KTCHXQQXJSGDIG-UHFFFAOYSA-N -1 1 325.328 2.286 20 0 EEADMM Cc1nc(COC(=O)c2cccc(-c3nnc[nH]3)c2)sc1C(=O)[O-] ZINC001600703787 1350118670 /nfs/dbraw/zinc/11/86/70/1350118670.db2.gz YFBKUVCTHFSZBO-UHFFFAOYSA-N -1 1 344.352 2.292 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2NCc1ccccc1OCC(=O)[O-] ZINC001600749530 1350127505 /nfs/dbraw/zinc/12/75/05/1350127505.db2.gz CFPTVJGCDGCOTJ-OAHLLOKOSA-N -1 1 327.384 2.416 20 0 EEADMM Cc1nnc(SCCC(=O)NC2(CCC(=O)[O-])CCCCC2)[nH]1 ZINC001600799219 1350139978 /nfs/dbraw/zinc/13/99/78/1350139978.db2.gz JYKJHGIYZGURIL-UHFFFAOYSA-N -1 1 340.449 2.279 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001601303210 1350253254 /nfs/dbraw/zinc/25/32/54/1350253254.db2.gz NVGSRSARYQKCQA-CQDKDKBSSA-N -1 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CC(=O)Nc1cccc(OC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001602956247 1350610982 /nfs/dbraw/zinc/61/09/82/1350610982.db2.gz MBOZKXCDMSULKD-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001602956247 1350610986 /nfs/dbraw/zinc/61/09/86/1350610986.db2.gz MBOZKXCDMSULKD-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM C/C(=C\CN(CCO)Cc1ccc(Br)s1)C(=O)[O-] ZINC001602963219 1350612486 /nfs/dbraw/zinc/61/24/86/1350612486.db2.gz YNUNAQHQPUAKLU-RUDMXATFSA-N -1 1 334.235 2.336 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603064468 1350630567 /nfs/dbraw/zinc/63/05/67/1350630567.db2.gz CPMXEBFVBHGUAV-CYBMUJFWSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603064468 1350630573 /nfs/dbraw/zinc/63/05/73/1350630573.db2.gz CPMXEBFVBHGUAV-CYBMUJFWSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)N1CCCCC1 ZINC001603239745 1350669342 /nfs/dbraw/zinc/66/93/42/1350669342.db2.gz 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C[C@@]1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC001603815540 1350774996 /nfs/dbraw/zinc/77/49/96/1350774996.db2.gz QPIYPNUINLTLNA-GOSISDBHSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891147 1350794760 /nfs/dbraw/zinc/79/47/60/1350794760.db2.gz PQSQEZREOHUVEC-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891147 1350794764 /nfs/dbraw/zinc/79/47/64/1350794764.db2.gz PQSQEZREOHUVEC-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC2(CCCCC2)O1 ZINC001603931745 1350803794 /nfs/dbraw/zinc/80/37/94/1350803794.db2.gz RJXGMNMKLLUMDJ-LLVKDONJSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC2(CCCCC2)O1 ZINC001603931745 1350803795 /nfs/dbraw/zinc/80/37/95/1350803795.db2.gz RJXGMNMKLLUMDJ-LLVKDONJSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603956262 1350813147 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CCC[C@@H]1C[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604237878 1350900284 /nfs/dbraw/zinc/90/02/84/1350900284.db2.gz GSVUGPIAFHWJDP-GMSGAONNSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cncc(C(=O)[O-])c1 ZINC001604346875 1350921231 /nfs/dbraw/zinc/92/12/31/1350921231.db2.gz SWWUPAJKYNMKJY-GFCCVEGCSA-N -1 1 348.424 2.175 20 0 EEADMM CCOC(=O)CC(=O)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001604371389 1350924934 /nfs/dbraw/zinc/92/49/34/1350924934.db2.gz NLXGDFOGWDUAOA-QMMMGPOBSA-N -1 1 338.364 2.009 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC001604494933 1350949534 /nfs/dbraw/zinc/94/95/34/1350949534.db2.gz SLURPUXLNJINGY-QAPCUYQASA-N -1 1 334.391 2.332 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001604544948 1350958529 /nfs/dbraw/zinc/95/85/29/1350958529.db2.gz XZGROCWSIMVKPN-AWEZNQCLSA-N -1 1 335.415 2.288 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001604544948 1350958532 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AJQXDGYQTHQONY-AWEZNQCLSA-N -1 1 333.388 2.425 20 0 EEADMM CC[C@](COC)(NCc1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001605055562 1351067558 /nfs/dbraw/zinc/06/75/58/1351067558.db2.gz DMWVVWDWSXKWTA-MRXNPFEDSA-N -1 1 339.342 2.120 20 0 EEADMM CC[C@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC001605091076 1351076923 /nfs/dbraw/zinc/07/69/23/1351076923.db2.gz IZXXNNSFFSVDGI-LSDHHAIUSA-N -1 1 347.440 2.454 20 0 EEADMM COCCOc1cc(C)ccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605117533 1351081229 /nfs/dbraw/zinc/08/12/29/1351081229.db2.gz SXFFMJSRHZLVMA-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COCCOc1cc(C)ccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605117533 1351081232 /nfs/dbraw/zinc/08/12/32/1351081232.db2.gz SXFFMJSRHZLVMA-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COCc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1OC ZINC001605134035 1351085357 /nfs/dbraw/zinc/08/53/57/1351085357.db2.gz NZHBPEINJCJIOE-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM COc1cc(Cn2ccn3ncc(-c4nn[n-]n4)c23)ccc1SC ZINC001605222884 1351108643 /nfs/dbraw/zinc/10/86/43/1351108643.db2.gz AXSFUPGIPNHZJL-UHFFFAOYSA-N -1 1 341.400 2.095 20 0 EEADMM CCN(C(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccc2ccccc21 ZINC001605396596 1351153283 /nfs/dbraw/zinc/15/32/83/1351153283.db2.gz WYGCVSNUVOLLBY-MNZLEMJZSA-N -1 1 338.407 2.455 20 0 EEADMM CCN(CCNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)CCC(F)(F)F ZINC001605447733 1351159406 /nfs/dbraw/zinc/15/94/06/1351159406.db2.gz GNPKGNMUSBVXTA-UHFFFAOYSA-N -1 1 349.353 2.334 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001605556104 1351189900 /nfs/dbraw/zinc/18/99/00/1351189900.db2.gz RMJPEELHCBWYFZ-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001605556104 1351189905 /nfs/dbraw/zinc/18/99/05/1351189905.db2.gz RMJPEELHCBWYFZ-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM CCOC(=O)c1cccc(CNCc2ccccc2CC(=O)[O-])n1 ZINC001605574367 1351192866 /nfs/dbraw/zinc/19/28/66/1351192866.db2.gz QGCQBDMREYCVFW-UHFFFAOYSA-N -1 1 328.368 2.175 20 0 EEADMM Cc1cc(Nc2nc(C)cc(-c3nnn[n-]3)n2)nn1[C@@H](C)C1CC1 ZINC001605584370 1351194722 /nfs/dbraw/zinc/19/47/22/1351194722.db2.gz SERFIZAQQYSJJB-JTQLQIEISA-N -1 1 325.380 2.185 20 0 EEADMM Cc1cc(Nc2nc(C)cc(-c3nn[n-]n3)n2)nn1[C@@H](C)C1CC1 ZINC001605584370 1351194725 /nfs/dbraw/zinc/19/47/25/1351194725.db2.gz SERFIZAQQYSJJB-JTQLQIEISA-N -1 1 325.380 2.185 20 0 EEADMM CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001605730911 1351219335 /nfs/dbraw/zinc/21/93/35/1351219335.db2.gz JCMQJXYZWKQHGY-LLVKDONJSA-N -1 1 336.413 2.357 20 0 EEADMM Cc1cc(NCCCN2CCc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001605733835 1351219539 /nfs/dbraw/zinc/21/95/39/1351219539.db2.gz NDZXXZBHRBEMKA-UHFFFAOYSA-N -1 1 335.415 2.435 20 0 EEADMM Cc1cc(NCCCN2CCc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001605733835 1351219543 /nfs/dbraw/zinc/21/95/43/1351219543.db2.gz NDZXXZBHRBEMKA-UHFFFAOYSA-N -1 1 335.415 2.435 20 0 EEADMM Cc1ccc(CC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001605841906 1351234041 /nfs/dbraw/zinc/23/40/41/1351234041.db2.gz JRVPNMNDJSOLQP-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001605872577 1351242494 /nfs/dbraw/zinc/24/24/94/1351242494.db2.gz YESLQBCTRKFEFF-KBPBESRZSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001605872577 1351242498 /nfs/dbraw/zinc/24/24/98/1351242498.db2.gz YESLQBCTRKFEFF-KBPBESRZSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001605875863 1351244185 /nfs/dbraw/zinc/24/41/85/1351244185.db2.gz RLQRHWBJHCKTEY-UHFFFAOYSA-N -1 1 329.747 2.372 20 0 EEADMM Cc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001605875863 1351244187 /nfs/dbraw/zinc/24/41/87/1351244187.db2.gz RLQRHWBJHCKTEY-UHFFFAOYSA-N -1 1 329.747 2.372 20 0 EEADMM Cc1csc(=O)n1CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001605998064 1351261723 /nfs/dbraw/zinc/26/17/23/1351261723.db2.gz GGHBBMCFAHPIPS-UHFFFAOYSA-N -1 1 337.405 2.330 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001606012177 1351263421 /nfs/dbraw/zinc/26/34/21/1351263421.db2.gz MYLFLVIGTJSDCH-HNNXBMFYSA-N -1 1 349.362 2.219 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)Cc2ccccc2Cl)c1C ZINC001606021699 1351264237 /nfs/dbraw/zinc/26/42/37/1351264237.db2.gz YQXVKSISPMTBPO-UHFFFAOYSA-N -1 1 330.779 2.145 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)Cc2ccccc2Cl)c1C ZINC001606021699 1351264240 /nfs/dbraw/zinc/26/42/40/1351264240.db2.gz YQXVKSISPMTBPO-UHFFFAOYSA-N -1 1 330.779 2.145 20 0 EEADMM Cc1noc(Cc2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC001606133915 1351277395 /nfs/dbraw/zinc/27/73/95/1351277395.db2.gz ROQZTESQCZKZNN-UHFFFAOYSA-N -1 1 334.343 2.288 20 0 EEADMM Cc1noc(Cc2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC001606133915 1351277397 /nfs/dbraw/zinc/27/73/97/1351277397.db2.gz ROQZTESQCZKZNN-UHFFFAOYSA-N -1 1 334.343 2.288 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC001606158953 1351279115 /nfs/dbraw/zinc/27/91/15/1351279115.db2.gz SOLFMDOPCSDANR-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM Cc1nsc(NC[C@@H]2CCCN2CC(F)(F)F)c1-c1nn[n-]n1 ZINC001606159455 1351279138 /nfs/dbraw/zinc/27/91/38/1351279138.db2.gz YWNRSVFGQCNDST-QMMMGPOBSA-N -1 1 347.370 2.070 20 0 EEADMM CN(Cc1ccc2cc[nH]c2c1)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606164112 1351280244 /nfs/dbraw/zinc/28/02/44/1351280244.db2.gz IZQGHVKFOQWRKV-INIZCTEOSA-N -1 1 329.400 2.065 20 0 EEADMM O=C(NC1CC(Cl)(Cl)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606649195 1351337027 /nfs/dbraw/zinc/33/70/27/1351337027.db2.gz TUQNGNWLWVLGOB-UHFFFAOYSA-N -1 1 330.150 2.072 20 0 EEADMM O=C(NC1CC(Cl)(Cl)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606649195 1351337029 /nfs/dbraw/zinc/33/70/29/1351337029.db2.gz TUQNGNWLWVLGOB-UHFFFAOYSA-N -1 1 330.150 2.072 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606715182 1351346057 /nfs/dbraw/zinc/34/60/57/1351346057.db2.gz PXXFVMKKEVFQIS-UHFFFAOYSA-N -1 1 327.319 2.060 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606715182 1351346059 /nfs/dbraw/zinc/34/60/59/1351346059.db2.gz PXXFVMKKEVFQIS-UHFFFAOYSA-N -1 1 327.319 2.060 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C(=O)[O-])C1 ZINC001606744315 1351350756 /nfs/dbraw/zinc/35/07/56/1351350756.db2.gz YOVYMBQIEZUDIC-YWPYICTPSA-N -1 1 345.399 2.260 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCc2ccccc21 ZINC001606844181 1351366049 /nfs/dbraw/zinc/36/60/49/1351366049.db2.gz AJWQXEWPJOPVSG-GFCCVEGCSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCc2ccccc21 ZINC001606844181 1351366055 /nfs/dbraw/zinc/36/60/55/1351366055.db2.gz AJWQXEWPJOPVSG-GFCCVEGCSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001606920943 1351376873 /nfs/dbraw/zinc/37/68/73/1351376873.db2.gz LPMQGFGVWMNQIZ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001606920943 1351376875 /nfs/dbraw/zinc/37/68/75/1351376875.db2.gz LPMQGFGVWMNQIZ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM COc1c(C)cc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC001607012325 1351396860 /nfs/dbraw/zinc/39/68/60/1351396860.db2.gz UBOKKVNGWUYXFL-DCAQKATOSA-N -1 1 342.823 2.285 20 0 EEADMM O=C1NCCN1c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001607052739 1351404286 /nfs/dbraw/zinc/40/42/86/1351404286.db2.gz KWFIKRADSGSLSU-UHFFFAOYSA-N -1 1 341.400 2.070 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]2CCCC[C@H]12 ZINC001607099205 1351417499 /nfs/dbraw/zinc/41/74/99/1351417499.db2.gz FOHFOUANJZITDJ-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]2CCCC[C@H]12 ZINC001607099205 1351417500 /nfs/dbraw/zinc/41/75/00/1351417500.db2.gz FOHFOUANJZITDJ-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM c1c[nH]c(CNc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC001607125301 1351428821 /nfs/dbraw/zinc/42/88/21/1351428821.db2.gz JXVDUPVPKVRHIN-UHFFFAOYSA-N -1 1 334.343 2.389 20 0 EEADMM c1c[nH]c(CNc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC001607125301 1351428824 /nfs/dbraw/zinc/42/88/24/1351428824.db2.gz JXVDUPVPKVRHIN-UHFFFAOYSA-N -1 1 334.343 2.389 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(C2CCC2)CC1 ZINC001607126264 1351429640 /nfs/dbraw/zinc/42/96/40/1351429640.db2.gz HJRDTWJOASQSLT-UHFFFAOYSA-N -1 1 333.388 2.095 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CC2(CCC2)CO1 ZINC001607131860 1351433064 /nfs/dbraw/zinc/43/30/64/1351433064.db2.gz QWSCFUPRZXQKBA-LLVKDONJSA-N -1 1 337.387 2.181 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CC2(CCC2)CO1 ZINC001607131860 1351433067 /nfs/dbraw/zinc/43/30/67/1351433067.db2.gz QWSCFUPRZXQKBA-LLVKDONJSA-N -1 1 337.387 2.181 20 0 EEADMM COc1ccc(NC(=O)c2cc(C)cc(C=O)c2O)c(C(=O)[O-])c1 ZINC001607276096 1351463914 /nfs/dbraw/zinc/46/39/14/1351463914.db2.gz ZRXRSIGETXYJSO-UHFFFAOYSA-N -1 1 329.308 2.472 20 0 EEADMM COc1cccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001607326415 1351474466 /nfs/dbraw/zinc/47/44/66/1351474466.db2.gz QFLARLDZJCYUHC-SFHVURJKSA-N -1 1 343.383 2.008 20 0 EEADMM Cc1cc(C2OCCO2)c(C)cc1CN1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607635325 1351530278 /nfs/dbraw/zinc/53/02/78/1351530278.db2.gz VYZIHZBXJDNWFT-CJNGLKHVSA-N -1 1 335.400 2.023 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@](CO)(C(C)C)C1 ZINC001607741468 1351549976 /nfs/dbraw/zinc/54/99/76/1351549976.db2.gz IVYUVIJQCWGJTQ-LJQANCHMSA-N -1 1 348.443 2.362 20 0 EEADMM Cc1ccc([C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-])cc1C ZINC001607757552 1351552930 /nfs/dbraw/zinc/55/29/30/1351552930.db2.gz SUSDWWCLAKJGTQ-LBPRGKRZSA-N -1 1 332.322 2.087 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccccc21)c1ccc2c(c1)CCO2 ZINC001608386252 1351683648 /nfs/dbraw/zinc/68/36/48/1351683648.db2.gz SSCAVNFUKOCIKN-HNNXBMFYSA-N -1 1 337.335 2.054 20 0 EEADMM Cc1c(F)cccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001628145517 1352522802 /nfs/dbraw/zinc/52/28/02/1352522802.db2.gz YJCGYJIJTVMBHD-UHFFFAOYSA-N -1 1 327.319 2.479 20 0 EEADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCOC1 ZINC001649237346 1352580618 /nfs/dbraw/zinc/58/06/18/1352580618.db2.gz IEQCNFYTSUHKJA-JHJVBQTASA-N -1 1 346.435 2.035 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cccc2cccnc21 ZINC001642557752 1352733730 /nfs/dbraw/zinc/73/37/30/1352733730.db2.gz HMQSBYFERRMVPA-MRXNPFEDSA-N -1 1 330.351 2.267 20 0 EEADMM C[C@H]1SCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)[C@@H]1C ZINC001646690090 1352924899 /nfs/dbraw/zinc/92/48/99/1352924899.db2.gz QGMMCJZKRAOAAV-NXEZZACHSA-N -1 1 346.460 2.185 20 0 EEADMM Cc1ncncc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001649689654 1353557322 /nfs/dbraw/zinc/55/73/22/1353557322.db2.gz AYSYMSLLNNIWAR-UHFFFAOYSA-N -1 1 325.368 2.226 20 0 EEADMM Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)s1 ZINC001650206484 1353774843 /nfs/dbraw/zinc/77/48/43/1353774843.db2.gz BHQYBCKQVDGZRC-UHFFFAOYSA-N -1 1 338.820 2.168 20 0 EEADMM O=C(Nc1ccncc1[O-])c1ccc(Cn2cc(Cl)cn2)s1 ZINC001654301679 1354146093 /nfs/dbraw/zinc/14/60/93/1354146093.db2.gz QTVYWTAUDXZQDQ-UHFFFAOYSA-N -1 1 334.788 2.421 20 0 EEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4ocnc4c3)cc2o1 ZINC000074838043 1354368739 /nfs/dbraw/zinc/36/87/39/1354368739.db2.gz ODPIDEVDBAXVDY-UHFFFAOYSA-N -1 1 331.309 2.063 20 0 EEADMM CCn1cc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001673939119 1356763444 /nfs/dbraw/zinc/76/34/44/1356763444.db2.gz HRIOEWLLCLGJMS-UHFFFAOYSA-N -1 1 326.360 2.116 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001388993639 1387868357 /nfs/dbraw/zinc/86/83/57/1387868357.db2.gz XDLFNICMJGTCEU-UONOGXRCSA-N -1 1 333.432 2.144 20 0 EEADMM COc1nccc(F)c1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001185543856 1368161500 /nfs/dbraw/zinc/16/15/00/1368161500.db2.gz CERVVCFMNAYEQV-UHFFFAOYSA-N -1 1 328.303 2.373 20 0 EEADMM Cn1ccc2cc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)cnc21 ZINC001185946638 1368174612 /nfs/dbraw/zinc/17/46/12/1368174612.db2.gz SYWSJKCRYYBVOT-UHFFFAOYSA-N -1 1 327.369 2.250 20 0 EEADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ccccc1-c1cccnc1 ZINC001188049366 1368275946 /nfs/dbraw/zinc/27/59/46/1368275946.db2.gz CYJVPQGLOLVKAH-UHFFFAOYSA-N -1 1 348.322 2.030 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccoc2)c(Br)n1 ZINC001188575950 1368306059 /nfs/dbraw/zinc/30/60/59/1368306059.db2.gz CPAPCTIGXIMTDZ-UHFFFAOYSA-N -1 1 333.163 2.247 20 0 EEADMM CC(C)c1nc(C[N-]S(=O)(=O)Cc2ccc(F)cc2F)no1 ZINC001189834479 1368381612 /nfs/dbraw/zinc/38/16/12/1368381612.db2.gz HFADYBHKAYASOU-UHFFFAOYSA-N -1 1 331.344 2.091 20 0 EEADMM CCOC(=O)[C@H](CCSC)NC(=O)Nc1c(F)cc([O-])cc1F ZINC001193242395 1368450311 /nfs/dbraw/zinc/45/03/11/1368450311.db2.gz BYDXPSKPLAEXOD-NSHDSACASA-N -1 1 348.371 2.477 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1cccc(F)c1N1CCOCC1 ZINC001195492385 1368543845 /nfs/dbraw/zinc/54/38/45/1368543845.db2.gz KXRAZAFICWBYGE-UHFFFAOYSA-N -1 1 327.381 2.105 20 0 EEADMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867361611 1368739484 /nfs/dbraw/zinc/73/94/84/1368739484.db2.gz UBEYRMTZCJDDIZ-MRVPVSSYSA-N -1 1 349.243 2.031 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccc2nonc2c1 ZINC001201769381 1368842171 /nfs/dbraw/zinc/84/21/71/1368842171.db2.gz VLGKRIWPMPSNLU-UHFFFAOYSA-N -1 1 344.805 2.120 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C1(F)CCCC1)NC(=O)c1ncccc1[O-] ZINC001488777900 1369066496 /nfs/dbraw/zinc/06/64/96/1369066496.db2.gz CHPGXUMYQRWIAH-RYUDHWBXSA-N -1 1 337.395 2.083 20 0 EEADMM COCCCn1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cn1 ZINC000859886232 1369450082 /nfs/dbraw/zinc/45/00/82/1369450082.db2.gz XQRYCJXSJDONDX-UHFFFAOYSA-N -1 1 346.383 2.227 20 0 EEADMM CCOC(=O)CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CC1 ZINC000117319582 1369461611 /nfs/dbraw/zinc/46/16/11/1369461611.db2.gz QDKRMWVFFSYBPF-UHFFFAOYSA-N -1 1 347.444 2.378 20 0 EEADMM CCC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952043 1370585956 /nfs/dbraw/zinc/58/59/56/1370585956.db2.gz HBOGRRWWXKKIFX-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952805 1370587027 /nfs/dbraw/zinc/58/70/27/1370587027.db2.gz QXYNTGGKUWFLKS-QWHCGFSZSA-N -1 1 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C[C@@H](C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])C1CCC1 ZINC001369744240 1374618175 /nfs/dbraw/zinc/61/81/75/1374618175.db2.gz VRIYUNZQFYYJSD-CYBMUJFWSA-N -1 1 347.459 2.438 20 0 EEADMM CCC(CC)CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001370814501 1375044711 /nfs/dbraw/zinc/04/47/11/1375044711.db2.gz DHKNNJJPNCTXQH-TZMCWYRMSA-N -1 1 333.432 2.333 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372483841 1376032901 /nfs/dbraw/zinc/03/29/01/1376032901.db2.gz DHHKGASSOIMLDT-YVEFUNNKSA-N -1 1 337.395 2.036 20 0 EEADMM CCCN(C(=O)C1=CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001374376289 1376747339 /nfs/dbraw/zinc/74/73/39/1376747339.db2.gz OKZNXTLFIVARQA-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM O=C(CCCF)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001375446882 1377747523 /nfs/dbraw/zinc/74/75/23/1377747523.db2.gz OHMLTYBLZLMNDX-UHFFFAOYSA-N -1 1 345.374 2.083 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376258209 1378399545 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/nfs/dbraw/zinc/05/11/07/1401051107.db2.gz MTEUOFAASYVMCS-CYBMUJFWSA-N -1 1 335.448 2.436 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCC1(C)C ZINC001425040505 1401405644 /nfs/dbraw/zinc/40/56/44/1401405644.db2.gz RDCMYJZXHRLPFS-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)CC1CCCC1 ZINC001426730500 1402166864 /nfs/dbraw/zinc/16/68/64/1402166864.db2.gz VDEIVXKAUWEKMD-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CCC(C)(C)CC(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001427459656 1402426048 /nfs/dbraw/zinc/42/60/48/1402426048.db2.gz WAFHTMJATIBKEV-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1coc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)c1 ZINC001428382039 1402698132 /nfs/dbraw/zinc/69/81/32/1402698132.db2.gz GPFBKFKMKHJUEG-AWEZNQCLSA-N -1 1 345.399 2.263 20 0 EEADMM CC(C)Nc1ncccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574297459 1403520683 /nfs/dbraw/zinc/52/06/83/1403520683.db2.gz VHUUAECKNJMGGC-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM 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ZINC001591778726 1403946387 /nfs/dbraw/zinc/94/63/87/1403946387.db2.gz IEBVCLWQBUMYJS-VIFPVBQESA-N -1 1 344.762 2.321 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC001591892942 1403969521 /nfs/dbraw/zinc/96/95/21/1403969521.db2.gz URIVBJMQKHOUQK-KWQFWETISA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC001591892942 1403969523 /nfs/dbraw/zinc/96/95/23/1403969523.db2.gz URIVBJMQKHOUQK-KWQFWETISA-N -1 1 329.314 2.211 20 0 EEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001592139146 1404006231 /nfs/dbraw/zinc/00/62/31/1404006231.db2.gz SBWFHDVEGXPUKS-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1nsc(NCCCN(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592489611 1404701141 /nfs/dbraw/zinc/70/11/41/1404701141.db2.gz BBEFNNGCAKETFN-UHFFFAOYSA-N -1 1 347.448 2.002 20 0 EEADMM NC(=O)C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1 ZINC001592730712 1404720399 /nfs/dbraw/zinc/72/03/99/1404720399.db2.gz TWRFEZQYTBJOCR-QMMMGPOBSA-N -1 1 349.807 2.005 20 0 EEADMM NC(=O)C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001592730712 1404720403 /nfs/dbraw/zinc/72/04/03/1404720403.db2.gz TWRFEZQYTBJOCR-QMMMGPOBSA-N -1 1 349.807 2.005 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001593044414 1404739363 /nfs/dbraw/zinc/73/93/63/1404739363.db2.gz HRIQBSMDJFUTHH-LLVKDONJSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NC[C@@H]1CCOc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001593044540 1404740362 /nfs/dbraw/zinc/74/03/62/1404740362.db2.gz LSJSAAYORAQMCN-JTQLQIEISA-N -1 1 341.396 2.224 20 0 EEADMM Cc1nsc(N(C)CCCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001606142114 1404767920 /nfs/dbraw/zinc/76/79/20/1404767920.db2.gz YEGSELOLTKJNMA-UHFFFAOYSA-N -1 1 338.437 2.190 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O ZINC001645669426 1404838290 /nfs/dbraw/zinc/83/82/90/1404838290.db2.gz AVHJDXZRRRGEAG-SECBINFHSA-N -1 1 337.388 2.049 20 0 EEADMM CC(C)CNC(=O)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001645763418 1404845597 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ZINC000054829294 789013773 /nfs/dbraw/zinc/01/37/73/789013773.db2.gz ZXYIMIDNNPROEE-UHFFFAOYSA-N -1 1 335.776 2.117 20 0 EEADMM Cn1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1 ZINC001127089179 789054849 /nfs/dbraw/zinc/05/48/49/789054849.db2.gz FSYXKLPTZFLGKJ-UHFFFAOYSA-N -1 1 339.142 2.424 20 0 EEADMM C[C@H](C(=O)Nc1cc(F)ccc1F)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000923531856 789730928 /nfs/dbraw/zinc/73/09/28/789730928.db2.gz LPJMYEIVDHOEPF-JIMOISOXSA-N -1 1 338.354 2.334 20 0 EEADMM Cc1cc(C)c(CN2CC(NC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC001030239403 789862289 /nfs/dbraw/zinc/86/22/89/789862289.db2.gz HQRXYTYKUGMCRL-UHFFFAOYSA-N -1 1 325.412 2.327 20 0 EEADMM CCC[C@H](CC)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840490 789932620 /nfs/dbraw/zinc/93/26/20/789932620.db2.gz GMBWKEALLXKQNW-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(NCC1(NC(=O)[C@@H]2CCCC23CC3)CCC1)c1ncccc1[O-] ZINC001062840144 789939617 /nfs/dbraw/zinc/93/96/17/789939617.db2.gz SLNJYBKCQRSJNO-ZDUSSCGKSA-N -1 1 343.427 2.136 20 0 EEADMM CC(C)N(C)Cc1cnc2n1CCN(Cc1sccc1C(=O)[O-])C2 ZINC001144671000 790023450 /nfs/dbraw/zinc/02/34/50/790023450.db2.gz VODATXLLAKVNKV-UHFFFAOYSA-N -1 1 348.472 2.499 20 0 EEADMM CC(C)CC(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000058965550 790069305 /nfs/dbraw/zinc/06/93/05/790069305.db2.gz VSYAROGRKBNDGF-UHFFFAOYSA-N -1 1 329.299 2.134 20 0 EEADMM CCc1cc(C)nc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060857055 790126905 /nfs/dbraw/zinc/12/69/05/790126905.db2.gz YMJXFUCBRKPXEM-ZDUSSCGKSA-N -1 1 341.415 2.022 20 0 EEADMM C[C@@H](C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1)C(C)(C)C ZINC001063553130 791287198 /nfs/dbraw/zinc/28/71/98/791287198.db2.gz CWFFHONIMRBHAO-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM COC[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)CCO1 ZINC000172922033 791793104 /nfs/dbraw/zinc/79/31/04/791793104.db2.gz FCXQCQFGZLKIER-AWEZNQCLSA-N -1 1 340.493 2.368 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CCNc1cnc(F)cn1 ZINC001063833280 791804384 /nfs/dbraw/zinc/80/43/84/791804384.db2.gz VPCDYHAXNBJHIW-GFCCVEGCSA-N -1 1 345.378 2.213 20 0 EEADMM COc1ccccc1[C@H]1CCN(C(=O)c2c(CO)cnc(C)c2[O-])C1 ZINC001147834407 791990513 /nfs/dbraw/zinc/99/05/13/791990513.db2.gz STQTXXHZPPQDMP-ZDUSSCGKSA-N -1 1 342.395 2.226 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ccc(Cn3ccnc3)cc2)c1[O-] ZINC001147839581 791997135 /nfs/dbraw/zinc/99/71/35/791997135.db2.gz CJFJDQLNHDDYKY-UHFFFAOYSA-N -1 1 338.367 2.085 20 0 EEADMM COc1cccc2[nH]cc(CNC(=O)c3c([O-])c(C)ncc3CO)c21 ZINC001147844384 792001980 /nfs/dbraw/zinc/00/19/80/792001980.db2.gz PJGGKKLUMLNYON-UHFFFAOYSA-N -1 1 341.367 2.008 20 0 EEADMM CCOc1ccc([C@@H](C)NC(=O)c2c(CO)cnc(C)c2[O-])cc1 ZINC001147847936 792005441 /nfs/dbraw/zinc/00/54/41/792005441.db2.gz AUDASVHIIAPKNN-LLVKDONJSA-N -1 1 330.384 2.478 20 0 EEADMM Cc1ncc(CO)c(C(=O)N[C@H]2COc3ccc(Cl)cc32)c1[O-] ZINC001147848246 792006093 /nfs/dbraw/zinc/00/60/93/792006093.db2.gz HXRBWLNLSYJNSH-LBPRGKRZSA-N -1 1 334.759 2.105 20 0 EEADMM Cc1cscc1C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC000992006196 792279843 /nfs/dbraw/zinc/27/98/43/792279843.db2.gz DRFOFRKSOUJZRU-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM CCCc1cc(C(=O)[N-]NC(=O)[C@@H](C)Oc2cccc(C)c2C)n[nH]1 ZINC000029816770 792312486 /nfs/dbraw/zinc/31/24/86/792312486.db2.gz MJMWQSBAJNVPIB-CYBMUJFWSA-N -1 1 344.415 2.208 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccn4cnnc4c3)cc2)[n-]1 ZINC001148329029 792340815 /nfs/dbraw/zinc/34/08/15/792340815.db2.gz GMLPPNCSSZKOCW-UHFFFAOYSA-N -1 1 334.339 2.094 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNc1ncc(F)cn1)c1ncccc1[O-] ZINC001064171605 792591417 /nfs/dbraw/zinc/59/14/17/792591417.db2.gz OSBUDZMPMHKZHS-WCQYABFASA-N -1 1 345.378 2.117 20 0 EEADMM O=C([N-]c1c(F)cccc1NC1CC1)c1nc(-c2cnccn2)no1 ZINC001148837836 792734559 /nfs/dbraw/zinc/73/45/59/792734559.db2.gz VPZJDWXDKZVTND-UHFFFAOYSA-N -1 1 340.318 2.492 20 0 EEADMM CC(C)c1cccnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148916870 792782956 /nfs/dbraw/zinc/78/29/56/792782956.db2.gz FVGMLVSYFPSOTE-UHFFFAOYSA-N -1 1 336.369 2.410 20 0 EEADMM COCC1(NC(=O)c2cc([O-])c(Br)c(O)c2)CCC1 ZINC001148989302 792847063 /nfs/dbraw/zinc/84/70/63/792847063.db2.gz BMHLGCVJVYVZSA-UHFFFAOYSA-N -1 1 330.178 2.159 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nc(C)ns1 ZINC001064395161 793024679 /nfs/dbraw/zinc/02/46/79/793024679.db2.gz GVORULVXFWFHSP-NEPJUHHUSA-N -1 1 347.444 2.300 20 0 EEADMM Cc1ccc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)cc1Cl ZINC000999013155 793671405 /nfs/dbraw/zinc/67/14/05/793671405.db2.gz GDSNJBFKBISRND-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742523 794201136 /nfs/dbraw/zinc/20/11/36/794201136.db2.gz HDRYMLDZUJUAPH-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM Cc1nc(C(C)(C)C)sc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743098 794205555 /nfs/dbraw/zinc/20/55/55/794205555.db2.gz FKFWZVPDJQRUJU-UHFFFAOYSA-N -1 1 334.449 2.282 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745682 794214607 /nfs/dbraw/zinc/21/46/07/794214607.db2.gz AXNJYASEDSADAC-AWEZNQCLSA-N -1 1 327.432 2.483 20 0 EEADMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000921684882 794646119 /nfs/dbraw/zinc/64/61/19/794646119.db2.gz XHMDNOVYVIUKGY-MRVPVSSYSA-N -1 1 342.280 2.340 20 0 EEADMM CCN(C(=O)CC1=CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079495340 794860026 /nfs/dbraw/zinc/86/00/26/794860026.db2.gz GQSWKHUSGXUEKJ-UHFFFAOYSA-N -1 1 343.427 2.351 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535996 795586194 /nfs/dbraw/zinc/58/61/94/795586194.db2.gz PSJKHERTYQLZIV-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535937 795586322 /nfs/dbraw/zinc/58/63/22/795586322.db2.gz NJIDUUVSMZZGFF-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(NCCCNc1ncnc2ccc(F)cc21)c1ncccc1[O-] ZINC001094375537 796183994 /nfs/dbraw/zinc/18/39/94/796183994.db2.gz CXTVKOLZVKJRAI-UHFFFAOYSA-N -1 1 341.346 2.102 20 0 EEADMM C[C@@H](CCNC(=O)c1ccccc1Cl)NC(=O)c1ncccc1[O-] ZINC001078323125 796236050 /nfs/dbraw/zinc/23/60/50/796236050.db2.gz CCWDLXODDKMZFG-NSHDSACASA-N -1 1 347.802 2.379 20 0 EEADMM CC(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078790259 797015445 /nfs/dbraw/zinc/01/54/45/797015445.db2.gz LXFNZIUXBZKZEO-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078790260 797015933 /nfs/dbraw/zinc/01/59/33/797015933.db2.gz LXFNZIUXBZKZEO-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082023954 797082127 /nfs/dbraw/zinc/08/21/27/797082127.db2.gz BLLXPZAWZAGZGH-MZLJFPOFSA-N -1 1 343.427 2.421 20 0 EEADMM C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCP(=O)([O-])[O-] ZINC001173085206 797230910 /nfs/dbraw/zinc/23/09/10/797230910.db2.gz HNASAAKLDOXOKT-VIFPVBQESA-N -1 1 327.239 2.284 20 0 EEADMM CCCCNC(=O)c1ccc(Nc2c(N)[nH]c(=S)[n-]c2=O)cc1 ZINC001174122998 797695032 /nfs/dbraw/zinc/69/50/32/797695032.db2.gz WLEGQOUANZSXCL-UHFFFAOYSA-N -1 1 333.417 2.327 20 0 EEADMM CC(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(N)c2)c1 ZINC001174188266 797710241 /nfs/dbraw/zinc/71/02/41/797710241.db2.gz WHWLKRNWSGTJBR-UHFFFAOYSA-N -1 1 333.413 2.208 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CCC1CCC1)C(=O)c1ncccc1[O-] ZINC001002338238 797912817 /nfs/dbraw/zinc/91/28/17/797912817.db2.gz SEAJOVLLSXOHSZ-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)c1ccccc1 ZINC001002412327 798030790 /nfs/dbraw/zinc/03/07/90/798030790.db2.gz OAWAUPAZQHQBRN-OAHLLOKOSA-N -1 1 339.395 2.164 20 0 EEADMM O=C(NCc1ccc(-n2cncn2)nc1)c1cc2ccccc2cc1[O-] ZINC000917168981 798125107 /nfs/dbraw/zinc/12/51/07/798125107.db2.gz PKOYAYRGKBXOBY-UHFFFAOYSA-N -1 1 345.362 2.451 20 0 EEADMM COCCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)cc1 ZINC001175790203 798237559 /nfs/dbraw/zinc/23/75/59/798237559.db2.gz LUGHVDFWCFKVAV-UHFFFAOYSA-N -1 1 340.376 2.234 20 0 EEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)ccc2o1 ZINC000917735958 798333034 /nfs/dbraw/zinc/33/30/34/798333034.db2.gz ZFVSUNRGCDPUOA-UHFFFAOYSA-N -1 1 346.320 2.005 20 0 EEADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cnccc1OC ZINC001176124795 798357700 /nfs/dbraw/zinc/35/77/00/798357700.db2.gz QSBIWIKKVDDTRM-UHFFFAOYSA-N -1 1 332.385 2.451 20 0 EEADMM Cc1nnc(CCC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)s1 ZINC001176287837 798401767 /nfs/dbraw/zinc/40/17/67/798401767.db2.gz UYXXBBIBYSXLAI-UHFFFAOYSA-N -1 1 329.385 2.309 20 0 EEADMM CC(C)c1cnc(CN2CCC(NC(=O)c3ncccc3[O-])CC2)o1 ZINC001002663512 798413596 /nfs/dbraw/zinc/41/35/96/798413596.db2.gz IJNBMHLDKNOXLY-UHFFFAOYSA-N -1 1 344.415 2.293 20 0 EEADMM CCCCCCN1CCO[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001176982868 798672684 /nfs/dbraw/zinc/67/26/84/798672684.db2.gz KDYXOUSDIOWKFZ-WBVHZDCISA-N -1 1 347.459 2.283 20 0 EEADMM O=C([N-][C@H]1CCc2[nH]c(=O)ccc2C1)C(F)(F)C(F)(F)Cl ZINC001179779919 800084305 /nfs/dbraw/zinc/08/43/05/800084305.db2.gz LIZFHMBWLMOHIN-ZETCQYMHSA-N -1 1 326.677 2.228 20 0 EEADMM CC(=O)N1CCC(CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC001180653210 800513888 /nfs/dbraw/zinc/51/38/88/800513888.db2.gz FRUPKMISEAUOQA-UHFFFAOYSA-N -1 1 342.399 2.165 20 0 EEADMM Cc1nc(CN2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)sc1C ZINC001033024186 800902441 /nfs/dbraw/zinc/90/24/41/800902441.db2.gz AMUMAFXFSJMOSY-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001181781801 800902451 /nfs/dbraw/zinc/90/24/51/800902451.db2.gz GAZCQXSPYYLZGV-ZETCQYMHSA-N -1 1 333.735 2.118 20 0 EEADMM CO[N-]C(=O)CNCc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000922831121 801994700 /nfs/dbraw/zinc/99/47/00/801994700.db2.gz ZWYUYYMLHZSWTI-UHFFFAOYSA-N -1 1 336.823 2.218 20 0 EEADMM CSc1nc(NC(=O)Cn2cnc3ccc(F)cc32)cc(=O)[n-]1 ZINC001185330623 802471348 /nfs/dbraw/zinc/47/13/48/802471348.db2.gz YUDPCOKJVKWBDZ-UHFFFAOYSA-N -1 1 333.348 2.032 20 0 EEADMM C[C@@H](CNc1nc(C2CCC2)ns1)NC(=O)c1ncccc1[O-] ZINC001108323573 803313720 /nfs/dbraw/zinc/31/37/20/803313720.db2.gz 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JIYFWTPQUYKBLN-JGVFFNPUSA-N -1 1 343.865 2.335 20 0 EEADMM COc1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1F ZINC000773774026 577363935 /nfs/dbraw/zinc/36/39/35/577363935.db2.gz WHCWNCMLPPEEGE-UHFFFAOYSA-N -1 1 332.360 2.096 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)C[C@@H]1OC ZINC000774067108 577381192 /nfs/dbraw/zinc/38/11/92/577381192.db2.gz XJYQNEGAXGNVAU-RYUDHWBXSA-N -1 1 334.445 2.342 20 0 EEADMM COc1ccc(/C=C/C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774882871 577422136 /nfs/dbraw/zinc/42/21/36/577422136.db2.gz LSEJHFCIFGXILU-VMPITWQZSA-N -1 1 331.290 2.320 20 0 EEADMM CN(C)c1nccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC000775845664 577447110 /nfs/dbraw/zinc/44/71/10/577447110.db2.gz IKVDTDUCPRDWGY-UHFFFAOYSA-N -1 1 342.296 2.229 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c(C)o1 ZINC000776300650 577457385 /nfs/dbraw/zinc/45/73/85/577457385.db2.gz LDLCQEVTGBFZSG-UHFFFAOYSA-N -1 1 349.456 2.449 20 0 EEADMM O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563026 577462356 /nfs/dbraw/zinc/46/23/56/577462356.db2.gz XAPFMMBTCGCTLT-FQUUOJAGSA-N -1 1 335.477 2.423 20 0 EEADMM Cc1cc2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)oc2cc1C ZINC000776563155 577462402 /nfs/dbraw/zinc/46/24/02/577462402.db2.gz HETCUCLHIQBQOB-GFCCVEGCSA-N -1 1 343.412 2.493 20 0 EEADMM CSc1ccc(C)c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000776566680 577462563 /nfs/dbraw/zinc/46/25/63/577462563.db2.gz XOVWSNIQZJZQRA-LBPRGKRZSA-N -1 1 335.458 2.160 20 0 EEADMM CC1(C)OC[C@H](CSc2nc([O-])cc(=O)n2C2CCCC2)O1 ZINC000767052539 577529782 /nfs/dbraw/zinc/52/97/82/577529782.db2.gz NJZKDGAEWUDDOB-LLVKDONJSA-N -1 1 326.418 2.308 20 0 EEADMM CC1(C)OC[C@H](CSc2nc(=O)cc([O-])n2C2CCCC2)O1 ZINC000767052539 577529783 /nfs/dbraw/zinc/52/97/83/577529783.db2.gz NJZKDGAEWUDDOB-LLVKDONJSA-N -1 1 326.418 2.308 20 0 EEADMM CCC/C(C)=C\C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1 ZINC000769769864 577583933 /nfs/dbraw/zinc/58/39/33/577583933.db2.gz NINMEBKHXMRDNQ-QXMHVHEDSA-N -1 1 334.420 2.434 20 0 EEADMM COCCn1c(=O)cc([O-])nc1SCc1ccc2ncccc2c1 ZINC000769807990 577584921 /nfs/dbraw/zinc/58/49/21/577584921.db2.gz FVUGXRXJXYMAGO-UHFFFAOYSA-N -1 1 343.408 2.436 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2F)c(C)o1 ZINC000769887002 577586455 /nfs/dbraw/zinc/58/64/55/577586455.db2.gz IUOUFSMCUHZJIN-UHFFFAOYSA-N -1 1 343.332 2.323 20 0 EEADMM COCCn1c(=O)cc([O-])nc1SCCSc1ccccc1 ZINC000758763325 577630803 /nfs/dbraw/zinc/63/08/03/577630803.db2.gz IFLKYYCAAGLGAG-UHFFFAOYSA-N -1 1 338.454 2.480 20 0 EEADMM CSc1cccc(N2C[C@H](C(=O)[N-]OCC(F)F)CC2=O)c1 ZINC000759335329 577641203 /nfs/dbraw/zinc/64/12/03/577641203.db2.gz QKVYAVFWUYWERN-SECBINFHSA-N -1 1 330.356 2.074 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccc[nH]1 ZINC000760955933 577673061 /nfs/dbraw/zinc/67/30/61/577673061.db2.gz AURLHMLDPHCDQF-NSHDSACASA-N -1 1 327.388 2.190 20 0 EEADMM CCC(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000761505635 577685141 /nfs/dbraw/zinc/68/51/41/577685141.db2.gz MWNQSBRDGDPKLI-UHFFFAOYSA-N -1 1 339.347 2.393 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000763007447 577712523 /nfs/dbraw/zinc/71/25/23/577712523.db2.gz LRLFQPFEXVVSCD-TZMCWYRMSA-N -1 1 331.445 2.003 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)Cc1ccco1 ZINC000751322678 577750734 /nfs/dbraw/zinc/75/07/34/577750734.db2.gz HOHHEUYPNHYDGY-LLVKDONJSA-N -1 1 342.399 2.325 20 0 EEADMM C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccc(N)cc1 ZINC000752070004 577765566 /nfs/dbraw/zinc/76/55/66/577765566.db2.gz BIQAAUAXBYTIRJ-ZDUSSCGKSA-N -1 1 340.379 2.262 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000753646721 577791192 /nfs/dbraw/zinc/79/11/92/577791192.db2.gz YDVLRBVUNPRBLW-CYBMUJFWSA-N -1 1 331.372 2.421 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](c2ccccn2)C(C)C)c1 ZINC000754023118 577798779 /nfs/dbraw/zinc/79/87/79/577798779.db2.gz GADKVVJMITZGIN-CQSZACIVSA-N -1 1 338.385 2.137 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(SC)cc2)co1 ZINC000756395049 577843353 /nfs/dbraw/zinc/84/33/53/577843353.db2.gz PZOFMSITUWFWIO-UHFFFAOYSA-N -1 1 341.410 2.267 20 0 EEADMM O=C(COC(=O)Cc1c(F)cccc1F)[N-]C(=O)c1ccccc1 ZINC000756630188 577847825 /nfs/dbraw/zinc/84/78/25/577847825.db2.gz BWOHSURGENKWRN-UHFFFAOYSA-N -1 1 333.290 2.007 20 0 EEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3c(O)cccc3F)ccc2o1 ZINC000742230488 577869270 /nfs/dbraw/zinc/86/92/70/577869270.db2.gz HKIWVXHRISJKMG-UHFFFAOYSA-N -1 1 335.312 2.439 20 0 EEADMM O=C(CCCn1cccn1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000743231727 577881964 /nfs/dbraw/zinc/88/19/64/577881964.db2.gz DEWKNVWEMMFJKU-UHFFFAOYSA-N -1 1 328.324 2.219 20 0 EEADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(F)(F)F ZINC000744337596 577896140 /nfs/dbraw/zinc/89/61/40/577896140.db2.gz FYCYFSFUVUAFMZ-SSDOTTSWSA-N -1 1 343.323 2.464 20 0 EEADMM CSc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1N ZINC000744609737 577900586 /nfs/dbraw/zinc/90/05/86/577900586.db2.gz SEFLCRJJEJMMQA-UHFFFAOYSA-N -1 1 344.392 2.104 20 0 EEADMM CSCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000744720395 577901917 /nfs/dbraw/zinc/90/19/17/577901917.db2.gz YZZINDVHSKLTDB-UHFFFAOYSA-N -1 1 335.447 2.266 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)OC[C@@H]2CCCO2)c1 ZINC000744877331 577904719 /nfs/dbraw/zinc/90/47/19/577904719.db2.gz WDHXRCYUPJEADE-BBRMVZONSA-N -1 1 336.384 2.265 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCc2ccccc2)C2CC2)o1 ZINC000745893062 577920068 /nfs/dbraw/zinc/92/00/68/577920068.db2.gz OQGJDRZZOZKTKY-UHFFFAOYSA-N -1 1 348.424 2.035 20 0 EEADMM COC(=O)c1cnc([N-]C(=O)c2c(C)noc2C(F)(F)F)s1 ZINC000750172332 577988421 /nfs/dbraw/zinc/98/84/21/577988421.db2.gz LDMOJJLPOHVSBP-UHFFFAOYSA-N -1 1 335.263 2.497 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](C)c2cccs2)cc1 ZINC000738781356 578026617 /nfs/dbraw/zinc/02/66/17/578026617.db2.gz QDCKHWMJUWYCSY-LLVKDONJSA-N -1 1 347.392 2.360 20 0 EEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000740144382 578082672 /nfs/dbraw/zinc/08/26/72/578082672.db2.gz NDRXRUAGTCSQFM-UHFFFAOYSA-N -1 1 335.316 2.201 20 0 EEADMM Brc1ccc(/C=C\CCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000735368902 578149804 /nfs/dbraw/zinc/14/98/04/578149804.db2.gz OXRUKPWUVGSPRT-IWQZZHSRSA-N -1 1 346.192 2.324 20 0 EEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1Cl ZINC000735449441 578154219 /nfs/dbraw/zinc/15/42/19/578154219.db2.gz YISCIUUGGJOOHX-SOFGYWHQSA-N -1 1 329.751 2.043 20 0 EEADMM CC(C)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735666746 578163748 /nfs/dbraw/zinc/16/37/48/578163748.db2.gz SJHHXLVYURVNDE-UHFFFAOYSA-N -1 1 336.399 2.403 20 0 EEADMM CC(C)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735666746 578163749 /nfs/dbraw/zinc/16/37/49/578163749.db2.gz SJHHXLVYURVNDE-UHFFFAOYSA-N -1 1 336.399 2.403 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccsc1 ZINC000736141084 578182993 /nfs/dbraw/zinc/18/29/93/578182993.db2.gz HJIXMFHERWYGGE-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccsc1 ZINC000736141084 578182994 /nfs/dbraw/zinc/18/29/94/578182994.db2.gz HJIXMFHERWYGGE-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000736229781 578188605 /nfs/dbraw/zinc/18/86/05/578188605.db2.gz RXKMXICBMFXVLB-VHSXEESVSA-N -1 1 334.811 2.189 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nccnc1-c1nnn[n-]1 ZINC000736232388 578188788 /nfs/dbraw/zinc/18/87/88/578188788.db2.gz CTDCQVBWXQHOLQ-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1nccnc1-c1nn[n-]n1 ZINC000736232388 578188789 /nfs/dbraw/zinc/18/87/89/578188789.db2.gz CTDCQVBWXQHOLQ-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736238909 578189810 /nfs/dbraw/zinc/18/98/10/578189810.db2.gz HVAORKSCMGIFNI-OAHLLOKOSA-N -1 1 348.443 2.390 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276313 578192914 /nfs/dbraw/zinc/19/29/14/578192914.db2.gz ODQOJZCSIPYCBW-GFCCVEGCSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276313 578192915 /nfs/dbraw/zinc/19/29/15/578192915.db2.gz ODQOJZCSIPYCBW-GFCCVEGCSA-N -1 1 349.398 2.137 20 0 EEADMM CC(C)(CC(=O)[O-])NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000736311143 578194918 /nfs/dbraw/zinc/19/49/18/578194918.db2.gz IUIIDDVQXMHYTD-UHFFFAOYSA-N -1 1 340.177 2.309 20 0 EEADMM CCc1nc2cc(NC(=O)N3CCC(c4nn[n-]n4)CC3)ccc2o1 ZINC000736707467 578219051 /nfs/dbraw/zinc/21/90/51/578219051.db2.gz YJTQYAHILSXCQF-UHFFFAOYSA-N -1 1 341.375 2.315 20 0 EEADMM CC[C@@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N(CC)CC ZINC000736859511 578227250 /nfs/dbraw/zinc/22/72/50/578227250.db2.gz BDBSVRSOQGXRQD-AWEZNQCLSA-N -1 1 333.388 2.196 20 0 EEADMM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C[C@H]1CCOC1 ZINC000737068697 578236141 /nfs/dbraw/zinc/23/61/41/578236141.db2.gz BHTSZCYOYKEZKD-GFCCVEGCSA-N -1 1 340.445 2.360 20 0 EEADMM CSCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737186951 578242846 /nfs/dbraw/zinc/24/28/46/578242846.db2.gz MCWZZMOWCGJOME-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737186951 578242847 /nfs/dbraw/zinc/24/28/47/578242847.db2.gz MCWZZMOWCGJOME-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(C)(C)C ZINC000737200312 578243441 /nfs/dbraw/zinc/24/34/41/578243441.db2.gz LEXWBHCGCUYGQX-UHFFFAOYSA-N -1 1 333.392 2.106 20 0 EEADMM CCc1cc2c(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000737251804 578246214 /nfs/dbraw/zinc/24/62/14/578246214.db2.gz GKPSYKRZIQCCNV-LBPRGKRZSA-N -1 1 331.368 2.358 20 0 EEADMM CCc1cc2c(C[N@H+]3CCC[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000737251804 578246215 /nfs/dbraw/zinc/24/62/15/578246215.db2.gz GKPSYKRZIQCCNV-LBPRGKRZSA-N -1 1 331.368 2.358 20 0 EEADMM Cc1oc(NC(=O)COC(=O)[C@H](C)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737552435 578263785 /nfs/dbraw/zinc/26/37/85/578263785.db2.gz QFEOEQGEBYIVJX-VIFPVBQESA-N -1 1 349.391 2.240 20 0 EEADMM Clc1ccccc1[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000737582825 578265567 /nfs/dbraw/zinc/26/55/67/578265567.db2.gz FZPJJSMESBKZKM-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccccc1[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000737582825 578265568 /nfs/dbraw/zinc/26/55/68/578265568.db2.gz FZPJJSMESBKZKM-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820281969 599064729 /nfs/dbraw/zinc/06/47/29/599064729.db2.gz ZVPXCVOAYSOSNS-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820281969 599064731 /nfs/dbraw/zinc/06/47/31/599064731.db2.gz ZVPXCVOAYSOSNS-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820280442 599092660 /nfs/dbraw/zinc/09/26/60/599092660.db2.gz GIPCANWCTMMHAW-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820280442 599092663 /nfs/dbraw/zinc/09/26/63/599092663.db2.gz GIPCANWCTMMHAW-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM O[C@H](C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823673406 599106093 /nfs/dbraw/zinc/10/60/93/599106093.db2.gz LUJFNLKLNNMOQA-GDBMZVCRSA-N -1 1 336.399 2.354 20 0 EEADMM O[C@H](C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823673406 599106096 /nfs/dbraw/zinc/10/60/96/599106096.db2.gz LUJFNLKLNNMOQA-GDBMZVCRSA-N -1 1 336.399 2.354 20 0 EEADMM CN(C)[C@H](CNC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000818429196 597004985 /nfs/dbraw/zinc/00/49/85/597004985.db2.gz VPAJJQNXIQQRBY-CYBMUJFWSA-N -1 1 327.812 2.059 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000325827922 597192164 /nfs/dbraw/zinc/19/21/64/597192164.db2.gz TTZNGCLBOUWANM-UHFFFAOYSA-N -1 1 331.416 2.406 20 0 EEADMM Fc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1-n1ccnc1 ZINC000822753613 607313639 /nfs/dbraw/zinc/31/36/39/607313639.db2.gz POJQMCIBGYQCQC-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1-n1ccnc1 ZINC000822753613 607313640 /nfs/dbraw/zinc/31/36/40/607313640.db2.gz POJQMCIBGYQCQC-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821592842 599336131 /nfs/dbraw/zinc/33/61/31/599336131.db2.gz YCGOMBZPNQADPZ-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822693943 599402718 /nfs/dbraw/zinc/40/27/18/599402718.db2.gz OXIBDQDCQARROG-HNNXBMFYSA-N -1 1 335.371 2.072 20 0 EEADMM Cn1ccnc1[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822693943 599402721 /nfs/dbraw/zinc/40/27/21/599402721.db2.gz OXIBDQDCQARROG-HNNXBMFYSA-N -1 1 335.371 2.072 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000326861087 599857969 /nfs/dbraw/zinc/85/79/69/599857969.db2.gz UMIIVKOYPFPNNT-INIZCTEOSA-N -1 1 336.347 2.366 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405318030 600300635 /nfs/dbraw/zinc/30/06/35/600300635.db2.gz LNUFUOZNIUTABG-GDBMZVCRSA-N -1 1 330.428 2.393 20 0 EEADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820299447 607436238 /nfs/dbraw/zinc/43/62/38/607436238.db2.gz GPIQYMFTNQCXCL-JTQLQIEISA-N -1 1 343.412 2.337 20 0 EEADMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820299447 607436241 /nfs/dbraw/zinc/43/62/41/607436241.db2.gz GPIQYMFTNQCXCL-JTQLQIEISA-N -1 1 343.412 2.337 20 0 EEADMM Cn1c(=O)[nH]nc1SCCOc1ccc(C(=O)[O-])cc1Cl ZINC000833039562 600803040 /nfs/dbraw/zinc/80/30/40/600803040.db2.gz LUSLEYDHEIGWRO-UHFFFAOYSA-N -1 1 329.765 2.043 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000827355804 601089309 /nfs/dbraw/zinc/08/93/09/601089309.db2.gz MMGOYNRVZMHTRP-USEMIUTHSA-N -1 1 342.848 2.422 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1nc2cc(Cl)ccc2n1C ZINC000831585693 601133200 /nfs/dbraw/zinc/13/32/00/601133200.db2.gz OKFMWMXCNOZOGN-OAHLLOKOSA-N -1 1 325.796 2.196 20 0 EEADMM CCc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000830254261 601338106 /nfs/dbraw/zinc/33/81/06/601338106.db2.gz 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CCc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821476044 606237045 /nfs/dbraw/zinc/23/70/45/606237045.db2.gz FKEMGAPPKYXDGG-UHFFFAOYSA-N -1 1 328.401 2.471 20 0 EEADMM Fc1cc(Br)cc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000822748113 606399833 /nfs/dbraw/zinc/39/98/33/606399833.db2.gz ILLFLGLAPOZFPB-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1cc(Br)cc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000822748113 606399834 /nfs/dbraw/zinc/39/98/34/606399834.db2.gz ILLFLGLAPOZFPB-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM CC(=O)NCc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000819810185 606465519 /nfs/dbraw/zinc/46/55/19/606465519.db2.gz AXCOOWZLIMGTCJ-UHFFFAOYSA-N -1 1 343.778 2.295 20 0 EEADMM CC(=O)NCc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000819810185 606465521 /nfs/dbraw/zinc/46/55/21/606465521.db2.gz AXCOOWZLIMGTCJ-UHFFFAOYSA-N -1 1 343.778 2.295 20 0 EEADMM CC(C)[C@@H]1OCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820047516 606472144 /nfs/dbraw/zinc/47/21/44/606472144.db2.gz ZFTOFKKKXARNLX-BZNIZROVSA-N -1 1 339.403 2.283 20 0 EEADMM CC(C)[C@@H]1OCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820047516 606472145 /nfs/dbraw/zinc/47/21/45/606472145.db2.gz ZFTOFKKKXARNLX-BZNIZROVSA-N -1 1 339.403 2.283 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821942721 606563578 /nfs/dbraw/zinc/56/35/78/606563578.db2.gz PZXVIDUQVMWCNQ-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821942721 606563580 /nfs/dbraw/zinc/56/35/80/606563580.db2.gz PZXVIDUQVMWCNQ-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccccc1F ZINC000820269118 606575219 /nfs/dbraw/zinc/57/52/19/606575219.db2.gz HOPZIEDAYQICHO-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccccc1F ZINC000820269118 606575220 /nfs/dbraw/zinc/57/52/20/606575220.db2.gz HOPZIEDAYQICHO-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC000822714766 606595175 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CC[C@H](C)c1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820882420 606684285 /nfs/dbraw/zinc/68/42/85/606684285.db2.gz RFWJCXZYQASVCM-JTQLQIEISA-N -1 1 325.376 2.366 20 0 EEADMM CC[C@H](C)c1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820882420 606684286 /nfs/dbraw/zinc/68/42/86/606684286.db2.gz RFWJCXZYQASVCM-JTQLQIEISA-N -1 1 325.376 2.366 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@H]1Cc1ccccc1 ZINC000823289248 606697572 /nfs/dbraw/zinc/69/75/72/606697572.db2.gz HCLOVVKISIIKSJ-KGLIPLIRSA-N -1 1 335.367 2.390 20 0 EEADMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823162642 606803287 /nfs/dbraw/zinc/80/32/87/606803287.db2.gz YRATVHARJVFJDK-SECBINFHSA-N -1 1 347.787 2.445 20 0 EEADMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823162642 606803289 /nfs/dbraw/zinc/80/32/89/606803289.db2.gz YRATVHARJVFJDK-SECBINFHSA-N -1 1 347.787 2.445 20 0 EEADMM Cn1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc2ccccc21 ZINC000822596128 607108316 /nfs/dbraw/zinc/10/83/16/607108316.db2.gz 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607863932 /nfs/dbraw/zinc/86/39/32/607863932.db2.gz RPGPLQAJKFMWBO-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826209955 607865239 /nfs/dbraw/zinc/86/52/39/607865239.db2.gz XWTNETMCMXBUFB-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM COc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826209955 607865240 /nfs/dbraw/zinc/86/52/40/607865240.db2.gz XWTNETMCMXBUFB-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(c2ccccc2F)CC1 ZINC000826450856 607998125 /nfs/dbraw/zinc/99/81/25/607998125.db2.gz GUBLYCZETXLYPL-UHFFFAOYSA-N -1 1 339.330 2.382 20 0 EEADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nnn[n-]2)s1 ZINC000826432495 608139901 /nfs/dbraw/zinc/13/99/01/608139901.db2.gz CEVVVXJPBKLIKT-QMMMGPOBSA-N -1 1 349.322 2.070 20 0 EEADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nn[n-]n2)s1 ZINC000826432495 608139902 /nfs/dbraw/zinc/13/99/02/608139902.db2.gz CEVVVXJPBKLIKT-QMMMGPOBSA-N -1 1 349.322 2.070 20 0 EEADMM Cc1nnc([C@@H](C)Sc2nc(C)nc(C)c2-c2nn[n-]n2)s1 ZINC000826324162 608144281 /nfs/dbraw/zinc/14/42/81/608144281.db2.gz GQOKFDMGYXEFBD-ZCFIWIBFSA-N -1 1 334.434 2.287 20 0 EEADMM C[C@H](COCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824440676 608332928 /nfs/dbraw/zinc/33/29/28/608332928.db2.gz IETKTSOSLMUYLL-GFCCVEGCSA-N -1 1 339.355 2.024 20 0 EEADMM C[C@H](COCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824440676 608332931 /nfs/dbraw/zinc/33/29/31/608332931.db2.gz IETKTSOSLMUYLL-GFCCVEGCSA-N -1 1 339.355 2.024 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824228463 608394786 /nfs/dbraw/zinc/39/47/86/608394786.db2.gz IOAFEAVLXJDBGQ-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824228463 608394787 /nfs/dbraw/zinc/39/47/87/608394787.db2.gz IOAFEAVLXJDBGQ-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM CCCCOc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825291818 608400101 /nfs/dbraw/zinc/40/01/01/608400101.db2.gz 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Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])oc1C ZINC000955966269 1213440089 /nfs/dbraw/zinc/44/00/89/1213440089.db2.gz DAXUYJZSJLRWJJ-ZDUSSCGKSA-N -1 1 343.383 2.032 20 0 EEADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])o1 ZINC000955979515 1213447496 /nfs/dbraw/zinc/44/74/96/1213447496.db2.gz MMUKPWBSOXUOLU-ZDUSSCGKSA-N -1 1 343.383 2.032 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2ccsc2)CC1 ZINC000956343942 1213731718 /nfs/dbraw/zinc/73/17/18/1213731718.db2.gz RVDCYZAMUFCXAA-UHFFFAOYSA-N -1 1 345.424 2.273 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)[n-]1 ZINC000796368638 1213897723 /nfs/dbraw/zinc/89/77/23/1213897723.db2.gz GWMUZAZONIQZSD-GFCCVEGCSA-N -1 1 344.367 2.005 20 0 EEADMM CCC(=O)N1CCCC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000956525458 1214005129 /nfs/dbraw/zinc/00/51/29/1214005129.db2.gz ROUHVCQPFVVVBS-SFHVURJKSA-N -1 1 331.416 2.042 20 0 EEADMM CC(C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1)=C1CCC1 ZINC000959471489 1214699455 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2.256 20 0 EEADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)c2ncccc2[O-])CCC1 ZINC000963447501 1217637572 /nfs/dbraw/zinc/63/75/72/1217637572.db2.gz YIGWDQQZMRPZNG-KBPBESRZSA-N -1 1 343.427 2.183 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(CNC(=O)C2CC2)cc1 ZINC000963878429 1218099016 /nfs/dbraw/zinc/09/90/16/1218099016.db2.gz XWCSPBNBACXMJC-GFCCVEGCSA-N -1 1 339.395 2.304 20 0 EEADMM Cc1nc(C)c(CN2CC[C@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC000965940239 1219381241 /nfs/dbraw/zinc/38/12/41/1219381241.db2.gz DHYDLQHQWUOVJL-SMDDNHRTSA-N -1 1 344.415 2.032 20 0 EEADMM C[C@H]1CN(C(=O)CC2CCCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000966150316 1219552186 /nfs/dbraw/zinc/55/21/86/1219552186.db2.gz OHQOYQBSDMYHJK-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1csc(C(=O)N2C[C@H](NC(=O)c3ncccc3[O-])[C@@H](C)C2)c1 ZINC000966396838 1219723594 /nfs/dbraw/zinc/72/35/94/1219723594.db2.gz KMCFQOKRCSBGMV-RYUDHWBXSA-N -1 1 345.424 2.048 20 0 EEADMM CC1(C)CN(C(=O)C=C2CCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000967008647 1220195021 /nfs/dbraw/zinc/19/50/21/1220195021.db2.gz GLFKKBVJKDOEPB-HNNXBMFYSA-N -1 1 343.427 2.254 20 0 EEADMM CCC1(Nc2ncc(F)cn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001066825504 1220281373 /nfs/dbraw/zinc/28/13/73/1220281373.db2.gz AJUYKZZQUPXYHZ-UHFFFAOYSA-N -1 1 345.378 2.213 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C2CC3(CCC3)C2)C1 ZINC000967908361 1220909532 /nfs/dbraw/zinc/90/95/32/1220909532.db2.gz QBUPJDBLQJRNCJ-UHFFFAOYSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2CC2)CC1 ZINC001016058072 1226014538 /nfs/dbraw/zinc/01/45/38/1226014538.db2.gz WGCYTPOOBLSPDD-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])CN1C(=O)CCC1CCC1 ZINC001010081863 1223540629 /nfs/dbraw/zinc/54/06/29/1223540629.db2.gz AKQMNBHRIVGUEH-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2)C1CCCC1 ZINC001014138547 1226252117 /nfs/dbraw/zinc/25/21/17/1226252117.db2.gz PTSOLPTXKABIDP-BEFAXECRSA-N -1 1 343.427 2.231 20 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C[C@]1(NC(=O)c2ncccc2[O-])CCN(Cc2c(F)cccc2F)C1 ZINC001046262204 1234606362 /nfs/dbraw/zinc/60/63/62/1234606362.db2.gz MPYSPFPHNBJCNL-SFHVURJKSA-N -1 1 347.365 2.460 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(Cc2c(F)cccc2F)C1 ZINC001046262203 1234606666 /nfs/dbraw/zinc/60/66/66/1234606666.db2.gz MPYSPFPHNBJCNL-GOSISDBHSA-N -1 1 347.365 2.460 20 0 EEADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901110993 1235234597 /nfs/dbraw/zinc/23/45/97/1235234597.db2.gz VSDOFRQEACEOLP-MEBBXXQBSA-N -1 1 345.374 2.441 20 0 EEADMM CC(C)=CCN1CCC(F)(F)[C@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001046928872 1235318229 /nfs/dbraw/zinc/31/82/29/1235318229.db2.gz VCXBYYGXEVOBAR-GFCCVEGCSA-N -1 1 342.390 2.077 20 0 EEADMM CN(C)c1ncnc(Cl)c1COC(=O)c1ccc([O-])cc1F ZINC000801300355 1235386804 /nfs/dbraw/zinc/38/68/04/1235386804.db2.gz DMDRRBFDXUNPJR-UHFFFAOYSA-N -1 1 325.727 2.398 20 0 EEADMM Cn1cc(-c2ccccc2CNC(=O)c2cnc(C3CC3)[n-]c2=O)cn1 ZINC000901230567 1235422953 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/nfs/dbraw/zinc/96/56/22/1349965622.db2.gz QGHCJNMCZPFSME-WCQYABFASA-N -1 1 328.206 2.025 20 0 EEADMM Cc1ccc([C@H](NC(=O)CN[C@@](C)(CCF)C(=O)[O-])C2CC2)cc1 ZINC001600382793 1350036156 /nfs/dbraw/zinc/03/61/56/1350036156.db2.gz RNNOVFTVNRVUMR-WMZOPIPTSA-N -1 1 336.407 2.355 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Br)c1)N1C[C@@H](O)C2(CC2)C1 ZINC001601689484 1350338655 /nfs/dbraw/zinc/33/86/55/1350338655.db2.gz BSKMAFGWMSZXBH-VXGBXAGGSA-N -1 1 326.190 2.032 20 0 EEADMM C[C@H]1OCC[C@]12CN(Cc1ccnc3c(C(=O)[O-])cccc13)CCO2 ZINC001604836192 1351017810 /nfs/dbraw/zinc/01/78/10/1351017810.db2.gz WIHDGQYOOWGGLF-YJYMSZOUSA-N -1 1 342.395 2.313 20 0 EEADMM COc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001605294286 1351127860 /nfs/dbraw/zinc/12/78/60/1351127860.db2.gz QZLPQUYAZKJRCA-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001605294286 1351127862 /nfs/dbraw/zinc/12/78/62/1351127862.db2.gz QZLPQUYAZKJRCA-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCSC2)nc(-c2nnn[n-]2)c1 ZINC001606291723 1351289639 /nfs/dbraw/zinc/28/96/39/1351289639.db2.gz BMHJYRMJIFQEBW-ZETCQYMHSA-N -1 1 330.339 2.446 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCSC2)nc(-c2nn[n-]n2)c1 ZINC001606291723 1351289643 /nfs/dbraw/zinc/28/96/43/1351289643.db2.gz BMHJYRMJIFQEBW-ZETCQYMHSA-N -1 1 330.339 2.446 20 0 EEADMM Cc1cc(NCc2cccc(-c3nnn[n-]3)n2)ccc1N1CCCC1=O ZINC001605739639 1351220226 /nfs/dbraw/zinc/22/02/26/1351220226.db2.gz HSPRFYUOPPFNBT-UHFFFAOYSA-N -1 1 349.398 2.309 20 0 EEADMM Cc1cc(NCc2cccc(-c3nn[n-]n3)n2)ccc1N1CCCC1=O ZINC001605739639 1351220228 /nfs/dbraw/zinc/22/02/28/1351220228.db2.gz HSPRFYUOPPFNBT-UHFFFAOYSA-N -1 1 349.398 2.309 20 0 EEADMM Cc1cc(NCc2cc(OCC(F)F)ccn2)nc(-c2nnn[n-]2)c1 ZINC001605740876 1351220244 /nfs/dbraw/zinc/22/02/44/1351220244.db2.gz YLHPBYZQFUTUPE-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1cc(NCc2cc(OCC(F)F)ccn2)nc(-c2nn[n-]n2)c1 ZINC001605740876 1351220248 /nfs/dbraw/zinc/22/02/48/1351220248.db2.gz 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C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccc(Cl)cc1 ZINC001609113932 1351849019 /nfs/dbraw/zinc/84/90/19/1351849019.db2.gz MTVRDFIRLSGSPW-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccc(Cl)cc1 ZINC001609113932 1351849023 /nfs/dbraw/zinc/84/90/23/1351849023.db2.gz MTVRDFIRLSGSPW-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC001609125817 1351853180 /nfs/dbraw/zinc/85/31/80/1351853180.db2.gz RUFIOSNEEOHACG-VIFPVBQESA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C1CCCCC1 ZINC001609125817 1351853184 /nfs/dbraw/zinc/85/31/84/1351853184.db2.gz RUFIOSNEEOHACG-VIFPVBQESA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324265632 1333645764 /nfs/dbraw/zinc/64/57/64/1333645764.db2.gz CRYMKZMVJWTBJJ-PELKAZGASA-N -1 1 339.244 2.218 20 0 EEADMM CCC1(C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)COC1 ZINC001324439427 1333683610 /nfs/dbraw/zinc/68/36/10/1333683610.db2.gz 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EEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C(C)C)c1-c1nn[n-]n1 ZINC001609374059 1351950774 /nfs/dbraw/zinc/95/07/74/1351950774.db2.gz CVCGNKQAMVBKGH-UHFFFAOYSA-N -1 1 332.433 2.341 20 0 EEADMM Cc1ccc(-n2cc(Nc3nccnc3-c3nnn[n-]3)cn2)c(C)c1 ZINC001609417393 1351968489 /nfs/dbraw/zinc/96/84/89/1351968489.db2.gz NZIKYQPTBNVMMK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1ccc(-n2cc(Nc3nccnc3-c3nn[n-]n3)cn2)c(C)c1 ZINC001609417393 1351968490 /nfs/dbraw/zinc/96/84/90/1351968490.db2.gz NZIKYQPTBNVMMK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC001609465309 1351987512 /nfs/dbraw/zinc/98/75/12/1351987512.db2.gz PVSJBCXUGFAPRF-VIFPVBQESA-N -1 1 345.388 2.246 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC001609465309 1351987514 /nfs/dbraw/zinc/98/75/14/1351987514.db2.gz PVSJBCXUGFAPRF-VIFPVBQESA-N -1 1 345.388 2.246 20 0 EEADMM Fc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(Br)c1 ZINC001609491210 1351997074 /nfs/dbraw/zinc/99/70/74/1351997074.db2.gz 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CON(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@H]1CCOC1 ZINC001349225493 1337611407 /nfs/dbraw/zinc/61/14/07/1337611407.db2.gz SOYAPYCYXJCYSW-SNVBAGLBSA-N -1 1 338.795 2.338 20 0 EEADMM CCC(CC)[C@@H](CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)OC ZINC001349343790 1337618360 /nfs/dbraw/zinc/61/83/60/1337618360.db2.gz ZQDLMKPBVRWTSQ-LLVKDONJSA-N -1 1 327.450 2.350 20 0 EEADMM CCc1[nH]c(C(=O)Nc2nc(-c3ccco3)n[nH]2)c(C)c1C(=O)[O-] ZINC001610054784 1352151024 /nfs/dbraw/zinc/15/10/24/1352151024.db2.gz FSGSFYFJQDGVIF-UHFFFAOYSA-N -1 1 329.316 2.214 20 0 EEADMM CCn1ccc(CN[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001610084709 1352158461 /nfs/dbraw/zinc/15/84/61/1352158461.db2.gz IZCFCNQMZVAWQP-GFCCVEGCSA-N -1 1 330.388 2.108 20 0 EEADMM CC[C@@H](C)CONC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847376083 1337993178 /nfs/dbraw/zinc/99/31/78/1337993178.db2.gz OBJBZQSORZHNDB-GMTAPVOTSA-N -1 1 339.358 2.205 20 0 EEADMM CO[C@H](C)c1noc(CN[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001610226829 1352190273 /nfs/dbraw/zinc/19/02/73/1352190273.db2.gz WNXLWDNMQHAWAF-YRGRVCCFSA-N -1 1 333.388 2.199 20 0 EEADMM CO[C@H]1CCN(Cc2cccc(O)c2Br)[C@@H](C(=O)[O-])C1 ZINC001610238732 1352192517 /nfs/dbraw/zinc/19/25/17/1352192517.db2.gz YOWMNBNMRUKECZ-WDEREUQCSA-N -1 1 344.205 2.219 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](C[S@](C)=O)c2ccccc2)n1C ZINC001610409134 1352218530 /nfs/dbraw/zinc/21/85/30/1352218530.db2.gz NMJYDAFXZAELDO-MWTRTKDXSA-N -1 1 334.441 2.241 20 0 EEADMM CCN(C[C@@H]1CCCO1)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001355514139 1338725306 /nfs/dbraw/zinc/72/53/06/1338725306.db2.gz RGNUJXQEYKWDQX-JTQLQIEISA-N -1 1 337.811 2.241 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610537967 1352241341 /nfs/dbraw/zinc/24/13/41/1352241341.db2.gz FWKUJWSRNMHVTQ-BFHYXJOUSA-N -1 1 336.457 2.167 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001610684343 1352259966 /nfs/dbraw/zinc/25/99/66/1352259966.db2.gz XTFIIUODDUAATM-SMDDNHRTSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001610684343 1352259967 /nfs/dbraw/zinc/25/99/67/1352259967.db2.gz XTFIIUODDUAATM-SMDDNHRTSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])[C@H]1CSCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC001610748979 1352268188 /nfs/dbraw/zinc/26/81/88/1352268188.db2.gz PSGFGHUKVBUGRX-GFCCVEGCSA-N -1 1 335.404 2.261 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC001610748979 1352268192 /nfs/dbraw/zinc/26/81/92/1352268192.db2.gz PSGFGHUKVBUGRX-GFCCVEGCSA-N -1 1 335.404 2.261 20 0 EEADMM O=C([O-])CC1(NC(=O)Nc2cnn(-c3ccncc3)c2)CCCC1 ZINC001610757331 1352269387 /nfs/dbraw/zinc/26/93/87/1352269387.db2.gz QULFSLPFHJVMLQ-UHFFFAOYSA-N -1 1 329.360 2.176 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)[nH]1 ZINC001610826091 1352281059 /nfs/dbraw/zinc/28/10/59/1352281059.db2.gz QMGZZOJILGXCRC-UHFFFAOYSA-N -1 1 332.375 2.422 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1 ZINC000034423067 1352329502 /nfs/dbraw/zinc/32/95/02/1352329502.db2.gz XFHXRHAJCJAWIO-UHFFFAOYSA-N -1 1 332.791 2.150 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001433422062 1341592726 /nfs/dbraw/zinc/59/27/26/1341592726.db2.gz NZDOCPGSJOHUKT-SNVBAGLBSA-N -1 1 333.413 2.014 20 0 EEADMM COc1cccc(-c2cc(CNC(=O)c3ccc([O-])cn3)on2)c1 ZINC001558542054 1342481203 /nfs/dbraw/zinc/48/12/03/1342481203.db2.gz RJYBJIVMMSDJTP-UHFFFAOYSA-N -1 1 325.324 2.381 20 0 EEADMM O=S(=O)([N-]Cc1nccnc1Cl)c1cc2cc(F)ccc2o1 ZINC001561550855 1342527302 /nfs/dbraw/zinc/52/73/02/1342527302.db2.gz MTNVUYMGFDELKW-UHFFFAOYSA-N -1 1 341.751 2.494 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576398982 1344009533 /nfs/dbraw/zinc/00/95/33/1344009533.db2.gz SIGSUUJLAPWLRU-ISVAXAHUSA-N -1 1 327.369 2.180 20 0 EEADMM CCCCC(=O)N[C@H](C)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001577408026 1344142985 /nfs/dbraw/zinc/14/29/85/1344142985.db2.gz IHZAFIAHEFCUIN-SECBINFHSA-N -1 1 337.453 2.129 20 0 EEADMM CCN(CCNc1snc(C)c1-c1nn[n-]n1)C(=O)C1=CCCC1 ZINC001578168164 1344244281 /nfs/dbraw/zinc/24/42/81/1344244281.db2.gz YBYYSSBSQPSAMX-UHFFFAOYSA-N -1 1 347.448 2.002 20 0 EEADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000837577235 1372792194 /nfs/dbraw/zinc/79/21/94/1372792194.db2.gz WJBAIBCUZDUWTN-QMMMGPOBSA-N -1 1 339.193 2.101 20 0 EEADMM O=C(NCc1ccc(Br)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001582551637 1344761773 /nfs/dbraw/zinc/76/17/73/1344761773.db2.gz UYEZHHNDLUIHHO-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(NCc1ccc(Br)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001582551637 1344761779 /nfs/dbraw/zinc/76/17/79/1344761779.db2.gz UYEZHHNDLUIHHO-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001582583876 1344766145 /nfs/dbraw/zinc/76/61/45/1344766145.db2.gz PTVIATHNFZYREU-NWDGAFQWSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001582583876 1344766150 /nfs/dbraw/zinc/76/61/50/1344766150.db2.gz PTVIATHNFZYREU-NWDGAFQWSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(Nc1ncc(Oc2ccccc2)cn1)c1coc(-c2nnn[n-]2)c1 ZINC001582653634 1344778374 /nfs/dbraw/zinc/77/83/74/1344778374.db2.gz QVLJQJMPBOPLNU-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1ncc(Oc2ccccc2)cn1)c1coc(-c2nn[n-]n2)c1 ZINC001582653634 1344778378 /nfs/dbraw/zinc/77/83/78/1344778378.db2.gz QVLJQJMPBOPLNU-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM C=C/C(C)=C/CC(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588515871 1348911196 /nfs/dbraw/zinc/91/11/96/1348911196.db2.gz JNOFCUVPJNLGST-ZKXNXJMVSA-N -1 1 347.448 2.071 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588772045 1348933937 /nfs/dbraw/zinc/93/39/37/1348933937.db2.gz ITJSDBKUWBBXMD-VURMDHGXSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588772045 1348933942 /nfs/dbraw/zinc/93/39/42/1348933942.db2.gz ITJSDBKUWBBXMD-VURMDHGXSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588773308 1348935148 /nfs/dbraw/zinc/93/51/48/1348935148.db2.gz WAZMGXKFSWXWOK-RMKNXTFCSA-N -1 1 340.391 2.317 20 0 EEADMM CC(=O)Nc1cccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001588882792 1348941474 /nfs/dbraw/zinc/94/14/74/1348941474.db2.gz SZBNYTNISTUXFY-UHFFFAOYSA-N -1 1 338.375 2.038 20 0 EEADMM CC(=O)Nc1cccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001588882792 1348941475 /nfs/dbraw/zinc/94/14/75/1348941475.db2.gz SZBNYTNISTUXFY-UHFFFAOYSA-N -1 1 338.375 2.038 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589098627 1348958359 /nfs/dbraw/zinc/95/83/59/1348958359.db2.gz CLJMUFDKIYIWLA-VHSXEESVSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589098627 1348958362 /nfs/dbraw/zinc/95/83/62/1348958362.db2.gz CLJMUFDKIYIWLA-VHSXEESVSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001589098271 1348959031 /nfs/dbraw/zinc/95/90/31/1348959031.db2.gz ALHXNAAWRZYQPI-YPMHNXCESA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001589098271 1348959033 /nfs/dbraw/zinc/95/90/33/1348959033.db2.gz ALHXNAAWRZYQPI-YPMHNXCESA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)=C(C)CC(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001589349238 1348985862 /nfs/dbraw/zinc/98/58/62/1348985862.db2.gz MKRYHQVDBOOKRI-JTQLQIEISA-N -1 1 349.464 2.295 20 0 EEADMM CC(C)COC[C@H](NCc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001589640186 1349014310 /nfs/dbraw/zinc/01/43/10/1349014310.db2.gz DDMKCXWPFJDDPC-HNNXBMFYSA-N -1 1 342.403 2.358 20 0 EEADMM CC(C)OCCCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001589747383 1349027790 /nfs/dbraw/zinc/02/77/90/1349027790.db2.gz VVMZZNPLJJEMGG-UHFFFAOYSA-N -1 1 341.213 2.251 20 0 EEADMM CC(C)OCCCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001589747383 1349027792 /nfs/dbraw/zinc/02/77/92/1349027792.db2.gz VVMZZNPLJJEMGG-UHFFFAOYSA-N -1 1 341.213 2.251 20 0 EEADMM CC(C)c1cc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc(=O)[nH]1 ZINC001589767814 1349034188 /nfs/dbraw/zinc/03/41/88/1349034188.db2.gz YEIREKLDPLURGB-UHFFFAOYSA-N -1 1 329.316 2.041 20 0 EEADMM CC(C)c1cc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc(=O)[nH]1 ZINC001589767814 1349034193 /nfs/dbraw/zinc/03/41/93/1349034193.db2.gz YEIREKLDPLURGB-UHFFFAOYSA-N -1 1 329.316 2.041 20 0 EEADMM CC(C)c1nc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)co1 ZINC001589776244 1349036442 /nfs/dbraw/zinc/03/64/42/1349036442.db2.gz RACNUMMTWNVAQL-UHFFFAOYSA-N -1 1 331.307 2.474 20 0 EEADMM CC(C)c1nc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)co1 ZINC001589776244 1349036450 /nfs/dbraw/zinc/03/64/50/1349036450.db2.gz RACNUMMTWNVAQL-UHFFFAOYSA-N -1 1 331.307 2.474 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC001589949388 1349074370 /nfs/dbraw/zinc/07/43/70/1349074370.db2.gz YYICWFCPBUZFIP-MRVPVSSYSA-N -1 1 325.319 2.404 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC001589949388 1349074376 /nfs/dbraw/zinc/07/43/76/1349074376.db2.gz YYICWFCPBUZFIP-MRVPVSSYSA-N -1 1 325.319 2.404 20 0 EEADMM C[C@H](O)CCc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001589999656 1349100409 /nfs/dbraw/zinc/10/04/09/1349100409.db2.gz URXUMLSHVYVWRU-JTQLQIEISA-N -1 1 331.401 2.216 20 0 EEADMM C[C@H](O)CCc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001589999656 1349100417 /nfs/dbraw/zinc/10/04/17/1349100417.db2.gz URXUMLSHVYVWRU-JTQLQIEISA-N -1 1 331.401 2.216 20 0 EEADMM C[C@@H](OCCCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590017614 1349109762 /nfs/dbraw/zinc/10/97/62/1349109762.db2.gz YNRDVWATGAYTQB-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](OCCCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590017614 1349109764 /nfs/dbraw/zinc/10/97/64/1349109764.db2.gz YNRDVWATGAYTQB-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](SCc1nc(-c2nnn[n-]2)cs1)C(=O)NC1CCCC1 ZINC001590033452 1349119157 /nfs/dbraw/zinc/11/91/57/1349119157.db2.gz MMIWEXPTRHNJHO-MRVPVSSYSA-N -1 1 338.462 2.004 20 0 EEADMM C[C@@H](SCc1nc(-c2nn[n-]n2)cs1)C(=O)NC1CCCC1 ZINC001590033452 1349119165 /nfs/dbraw/zinc/11/91/65/1349119165.db2.gz MMIWEXPTRHNJHO-MRVPVSSYSA-N -1 1 338.462 2.004 20 0 EEADMM CC1(C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]2CCO[C@@H]21 ZINC001590075988 1349139629 /nfs/dbraw/zinc/13/96/29/1349139629.db2.gz AFRGIMQYRMGOJT-ARDNSNSESA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)C[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC001590079031 1349142160 /nfs/dbraw/zinc/14/21/60/1349142160.db2.gz BDRSVIKLPDAIDI-LLVKDONJSA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)C[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC001590079031 1349142166 /nfs/dbraw/zinc/14/21/66/1349142166.db2.gz BDRSVIKLPDAIDI-LLVKDONJSA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)C[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590088425 1349147697 /nfs/dbraw/zinc/14/76/97/1349147697.db2.gz YKRCZQPZKUGQIW-QMMMGPOBSA-N -1 1 340.309 2.056 20 0 EEADMM CC1(C)CCc2onc(CNCc3cccc(-c4nn[n-]n4)n3)c2C1 ZINC001590101188 1349155486 /nfs/dbraw/zinc/15/54/86/1349155486.db2.gz WRRRCEPQANQILY-UHFFFAOYSA-N -1 1 339.403 2.054 20 0 EEADMM C[C@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590329587 1349267600 /nfs/dbraw/zinc/26/76/00/1349267600.db2.gz OZLJINVRNBHZCM-BONVTDFDSA-N -1 1 337.339 2.188 20 0 EEADMM C[C@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590329587 1349267604 /nfs/dbraw/zinc/26/76/04/1349267604.db2.gz OZLJINVRNBHZCM-BONVTDFDSA-N -1 1 337.339 2.188 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590401179 1349302369 /nfs/dbraw/zinc/30/23/69/1349302369.db2.gz CRZHEXORIYJBGT-DOMZBBRYSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590401179 1349302376 /nfs/dbraw/zinc/30/23/76/1349302376.db2.gz CRZHEXORIYJBGT-DOMZBBRYSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590473823 1349348171 /nfs/dbraw/zinc/34/81/71/1349348171.db2.gz SINPMNWUEYUHPI-LLVKDONJSA-N -1 1 344.400 2.257 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590473823 1349348178 /nfs/dbraw/zinc/34/81/78/1349348178.db2.gz SINPMNWUEYUHPI-LLVKDONJSA-N -1 1 344.400 2.257 20 0 EEADMM CCS[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590849733 1349404771 /nfs/dbraw/zinc/40/47/71/1349404771.db2.gz BPOIISFNYFOBCP-KOLCDFICSA-N -1 1 333.421 2.057 20 0 EEADMM CCS[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590849733 1349404775 /nfs/dbraw/zinc/40/47/75/1349404775.db2.gz BPOIISFNYFOBCP-KOLCDFICSA-N -1 1 333.421 2.057 20 0 EEADMM CCc1nc(Sc2ccc3c(c2)CCO3)cc(-c2nnn[n-]2)n1 ZINC001590923914 1349413631 /nfs/dbraw/zinc/41/36/31/1349413631.db2.gz KCANRUWAQLHODJ-UHFFFAOYSA-N -1 1 326.385 2.305 20 0 EEADMM CCc1nc(Sc2ccc3c(c2)CCO3)cc(-c2nn[n-]n2)n1 ZINC001590923914 1349413635 /nfs/dbraw/zinc/41/36/35/1349413635.db2.gz KCANRUWAQLHODJ-UHFFFAOYSA-N -1 1 326.385 2.305 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591606256 1349513373 /nfs/dbraw/zinc/51/33/73/1349513373.db2.gz SBXKAHYNYCAIMU-MRVPVSSYSA-N -1 1 334.380 2.322 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591606256 1349513379 /nfs/dbraw/zinc/51/33/79/1349513379.db2.gz SBXKAHYNYCAIMU-MRVPVSSYSA-N -1 1 334.380 2.322 20 0 EEADMM COc1cccc2[nH]c(NC(=O)c3ccc(-c4nn[n-]n4)s3)nc21 ZINC001591645109 1349522803 /nfs/dbraw/zinc/52/28/03/1349522803.db2.gz XNHLRBYNQULMCS-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001591648297 1349524523 /nfs/dbraw/zinc/52/45/23/1349524523.db2.gz DBGQGXTUKUQBBZ-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001591648297 1349524528 /nfs/dbraw/zinc/52/45/28/1349524528.db2.gz DBGQGXTUKUQBBZ-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591648287 1349524808 /nfs/dbraw/zinc/52/48/08/1349524808.db2.gz CQQXFHNKEWTLEC-CYBMUJFWSA-N -1 1 339.355 2.446 20 0 EEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591648287 1349524810 /nfs/dbraw/zinc/52/48/10/1349524810.db2.gz CQQXFHNKEWTLEC-CYBMUJFWSA-N -1 1 339.355 2.446 20 0 EEADMM Cc1ccc(SCC(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001592196747 1349602745 /nfs/dbraw/zinc/60/27/45/1349602745.db2.gz KZRDWRKNTYJWFT-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM Cc1ccc(SCC(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001592196747 1349602748 /nfs/dbraw/zinc/60/27/48/1349602748.db2.gz KZRDWRKNTYJWFT-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM Cc1nc(NCCc2coc(-c3ccccc3)n2)cc(-c2nnn[n-]2)n1 ZINC001592391992 1349626945 /nfs/dbraw/zinc/62/69/45/1349626945.db2.gz ZSOUYBCXBULDMB-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1nc(NCCc2coc(-c3ccccc3)n2)cc(-c2nn[n-]n2)n1 ZINC001592391992 1349626947 /nfs/dbraw/zinc/62/69/47/1349626947.db2.gz ZSOUYBCXBULDMB-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCc2cccnc2)c1-c1nnn[n-]1 ZINC001592468804 1349634731 /nfs/dbraw/zinc/63/47/31/1349634731.db2.gz RHSATVUPNPIRKA-UHFFFAOYSA-N -1 1 343.416 2.012 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCc2cccnc2)c1-c1nn[n-]n1 ZINC001592468804 1349634732 /nfs/dbraw/zinc/63/47/32/1349634732.db2.gz RHSATVUPNPIRKA-UHFFFAOYSA-N -1 1 343.416 2.012 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@H]2CCCC2(F)F)c1-c1nnn[n-]1 ZINC001592469235 1349634823 /nfs/dbraw/zinc/63/48/23/1349634823.db2.gz YGNSGKSBIWSYHH-MRVPVSSYSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@H]2CCCC2(F)F)c1-c1nn[n-]n1 ZINC001592469235 1349634824 /nfs/dbraw/zinc/63/48/24/1349634824.db2.gz YGNSGKSBIWSYHH-MRVPVSSYSA-N -1 1 342.375 2.420 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592532014 1349649210 /nfs/dbraw/zinc/64/92/10/1349649210.db2.gz HCUPFABHBYBZKE-NEPJUHHUSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592532014 1349649211 /nfs/dbraw/zinc/64/92/11/1349649211.db2.gz HCUPFABHBYBZKE-NEPJUHHUSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(SCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001592533516 1349650092 /nfs/dbraw/zinc/65/00/92/1349650092.db2.gz QTKOOSNPNNTBGE-UHFFFAOYSA-N -1 1 334.792 2.481 20 0 EEADMM Clc1sc(NC[C@]23C[C@H]2COC32CCC2)nc1-c1nn[n-]n1 ZINC001592543426 1349655016 /nfs/dbraw/zinc/65/50/16/1349655016.db2.gz NPYFHXGUXGYLMW-JVXZTZIISA-N -1 1 338.824 2.348 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC3(CCCC3)CC2)n1 ZINC001592559561 1349657450 /nfs/dbraw/zinc/65/74/50/1349657450.db2.gz XJTGGJPYMBIISP-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC3(CCCC3)CC2)n1 ZINC001592559561 1349657452 /nfs/dbraw/zinc/65/74/52/1349657452.db2.gz XJTGGJPYMBIISP-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM FC(F)(F)[C@H](NCc1cccc(-c2nnn[n-]2)n1)c1nccs1 ZINC001592613823 1349671100 /nfs/dbraw/zinc/67/11/00/1349671100.db2.gz MGXPTVKXBRUCMW-SECBINFHSA-N -1 1 341.322 2.111 20 0 EEADMM FC(F)(F)[C@H](NCc1cccc(-c2nn[n-]n2)n1)c1nccs1 ZINC001592613823 1349671102 /nfs/dbraw/zinc/67/11/02/1349671102.db2.gz MGXPTVKXBRUCMW-SECBINFHSA-N -1 1 341.322 2.111 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592648644 1349694678 /nfs/dbraw/zinc/69/46/78/1349694678.db2.gz UZOKCWKBDPKGES-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592648644 1349694679 /nfs/dbraw/zinc/69/46/79/1349694679.db2.gz UZOKCWKBDPKGES-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001592653242 1349698512 /nfs/dbraw/zinc/69/85/12/1349698512.db2.gz QXJMRJIWOMRUOQ-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM Fc1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001592653242 1349698518 /nfs/dbraw/zinc/69/85/18/1349698518.db2.gz QXJMRJIWOMRUOQ-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM Fc1cccc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)c1F ZINC001592655116 1349699901 /nfs/dbraw/zinc/69/99/01/1349699901.db2.gz SGNSMYYBNFSJKT-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966361 1349730477 /nfs/dbraw/zinc/73/04/77/1349730477.db2.gz YRKFVLQROPHZKH-GUYCJALGSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966361 1349730481 /nfs/dbraw/zinc/73/04/81/1349730481.db2.gz YRKFVLQROPHZKH-GUYCJALGSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592975995 1349731259 /nfs/dbraw/zinc/73/12/59/1349731259.db2.gz ZMKHRBULEBGQNT-QMMMGPOBSA-N -1 1 325.294 2.314 20 0 EEADMM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592975995 1349731263 /nfs/dbraw/zinc/73/12/63/1349731263.db2.gz ZMKHRBULEBGQNT-QMMMGPOBSA-N -1 1 325.294 2.314 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)nc(Cl)c1 ZINC001593245486 1349749714 /nfs/dbraw/zinc/74/97/14/1349749714.db2.gz PIFGIETYNSRRAV-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)nc(Cl)c1 ZINC001593245486 1349749717 /nfs/dbraw/zinc/74/97/17/1349749717.db2.gz PIFGIETYNSRRAV-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(Cl)c2ccccc2n1 ZINC001593260029 1349754113 /nfs/dbraw/zinc/75/41/13/1349754113.db2.gz IVAPHVHSEDWURZ-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1([C@H]2CCCCO2)CCC1 ZINC001593267786 1349755810 /nfs/dbraw/zinc/75/58/10/1349755810.db2.gz JRJULCMWEGATJU-SNVBAGLBSA-N -1 1 334.405 2.001 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1([C@H]2CCCCO2)CCC1 ZINC001593267786 1349755816 /nfs/dbraw/zinc/75/58/16/1349755816.db2.gz JRJULCMWEGATJU-SNVBAGLBSA-N -1 1 334.405 2.001 20 0 EEADMM O=C(OCCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593287551 1349763743 /nfs/dbraw/zinc/76/37/43/1349763743.db2.gz HZCDGYPKAZINSK-UHFFFAOYSA-N -1 1 342.355 2.266 20 0 EEADMM O=C(c1ccc(Cl)o1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593342034 1349785900 /nfs/dbraw/zinc/78/59/00/1349785900.db2.gz WZURSCNIFHUOLL-UHFFFAOYSA-N -1 1 330.735 2.101 20 0 EEADMM O=C(c1ccc(Cl)o1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593342034 1349785905 /nfs/dbraw/zinc/78/59/05/1349785905.db2.gz WZURSCNIFHUOLL-UHFFFAOYSA-N -1 1 330.735 2.101 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCOc2ccccc2C1 ZINC001593350398 1349788121 /nfs/dbraw/zinc/78/81/21/1349788121.db2.gz NGVVGEJBNHBHAN-UHFFFAOYSA-N -1 1 339.330 2.041 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCOc2ccccc2C1 ZINC001593350398 1349788125 /nfs/dbraw/zinc/78/81/25/1349788125.db2.gz NGVVGEJBNHBHAN-UHFFFAOYSA-N -1 1 339.330 2.041 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC001593359246 1349790377 /nfs/dbraw/zinc/79/03/77/1349790377.db2.gz ZCJLUVUDTQOXLX-UHFFFAOYSA-N -1 1 342.309 2.010 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1Cc2ccccc2C(F)(F)C1 ZINC001593359246 1349790382 /nfs/dbraw/zinc/79/03/82/1349790382.db2.gz ZCJLUVUDTQOXLX-UHFFFAOYSA-N -1 1 342.309 2.010 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(CC1CCC1)CC(F)(F)F ZINC001593368236 1349791565 /nfs/dbraw/zinc/79/15/65/1349791565.db2.gz WYUKNICAOHPAIT-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(CC1CCC1)CC(F)(F)F ZINC001593368236 1349791568 /nfs/dbraw/zinc/79/15/68/1349791568.db2.gz WYUKNICAOHPAIT-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001593367439 1349792160 /nfs/dbraw/zinc/79/21/60/1349792160.db2.gz KPGZNCBNNWJDRN-CYBMUJFWSA-N -1 1 345.403 2.129 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001593367439 1349792163 /nfs/dbraw/zinc/79/21/63/1349792163.db2.gz KPGZNCBNNWJDRN-CYBMUJFWSA-N -1 1 345.403 2.129 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1c(Cl)oc2ccccc21 ZINC001593495039 1349819350 /nfs/dbraw/zinc/81/93/50/1349819350.db2.gz PSQZWVLXUCHWJB-UHFFFAOYSA-N -1 1 327.731 2.476 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC001593505504 1349822932 /nfs/dbraw/zinc/82/29/32/1349822932.db2.gz ABXMPTVMBRCNBM-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001593505504 1349822936 /nfs/dbraw/zinc/82/29/36/1349822936.db2.gz ABXMPTVMBRCNBM-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM Oc1ccc([C@@H]2CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)cc1 ZINC001593540863 1349837585 /nfs/dbraw/zinc/83/75/85/1349837585.db2.gz VTNOUNOYRXACCB-CYBMUJFWSA-N -1 1 349.398 2.234 20 0 EEADMM Oc1ccc([C@@H]2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)cc1 ZINC001593540863 1349837588 /nfs/dbraw/zinc/83/75/88/1349837588.db2.gz VTNOUNOYRXACCB-CYBMUJFWSA-N -1 1 349.398 2.234 20 0 EEADMM c1cc(Cc2ccc(Nc3cnc(-c4nnn[n-]4)cn3)cc2)ccn1 ZINC001593557724 1349848086 /nfs/dbraw/zinc/84/80/86/1349848086.db2.gz UDUIPECEYMTIHH-UHFFFAOYSA-N -1 1 330.355 2.386 20 0 EEADMM c1cc(Cc2ccc(Nc3cnc(-c4nn[n-]n4)cn3)cc2)ccn1 ZINC001593557724 1349848094 /nfs/dbraw/zinc/84/80/94/1349848094.db2.gz UDUIPECEYMTIHH-UHFFFAOYSA-N -1 1 330.355 2.386 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cnc(C(F)(F)F)nc2)n1C ZINC001599993741 1349951426 /nfs/dbraw/zinc/95/14/26/1349951426.db2.gz GAIQWNMPMGINPL-UHFFFAOYSA-N -1 1 328.294 2.130 20 0 EEADMM Cc1c(NC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cccc1C(=O)[O-] ZINC001600037147 1349959309 /nfs/dbraw/zinc/95/93/09/1349959309.db2.gz PACCHZQKJJQDFQ-LBPRGKRZSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(CNCc2ccncc2OC[C@H]2CCOC2)[nH]c1C(=O)[O-] ZINC001600209272 1349993425 /nfs/dbraw/zinc/99/34/25/1349993425.db2.gz CPDBQNDIHTVJKO-ZDUSSCGKSA-N -1 1 345.399 2.121 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001600241644 1350000175 /nfs/dbraw/zinc/00/01/75/1350000175.db2.gz MROWFDUKWGBNML-GOEBONIOSA-N -1 1 345.443 2.329 20 0 EEADMM Cc1ccc([C@H](N)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001600380050 1350035155 /nfs/dbraw/zinc/03/51/55/1350035155.db2.gz BFTHNHWXGCJYFW-KRWDZBQOSA-N -1 1 328.368 2.487 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1F ZINC001600446502 1350053369 /nfs/dbraw/zinc/05/33/69/1350053369.db2.gz XLFOKXSLODDNPH-NJZAAPMLSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1C ZINC001600458232 1350057137 /nfs/dbraw/zinc/05/71/37/1350057137.db2.gz FCOIPWULLIEVNP-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)c(C(=O)[O-])c1 ZINC001600464086 1350057756 /nfs/dbraw/zinc/05/77/56/1350057756.db2.gz UYJKHZYKFNTOEF-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600729410 1350123159 /nfs/dbraw/zinc/12/31/59/1350123159.db2.gz QXEDBEIUXSLPDB-CYBMUJFWSA-N -1 1 341.411 2.164 20 0 EEADMM Cn1c([C@@H]2CCCCN2C2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001600911145 1350166053 /nfs/dbraw/zinc/16/60/53/1350166053.db2.gz PRWSHPPTBVJKAH-HIFRSBDPSA-N -1 1 347.463 2.196 20 0 EEADMM Cn1c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)nc2ccccc2c1=O ZINC001600913822 1350166757 /nfs/dbraw/zinc/16/67/57/1350166757.db2.gz QUKXEGDDQOVNFS-HEHGZKQESA-N -1 1 341.411 2.009 20 0 EEADMM Cn1ncc2ccc(CNCc3ccccc3OCC(=O)[O-])cc21 ZINC001601031726 1350194227 /nfs/dbraw/zinc/19/42/27/1350194227.db2.gz HGWLDMKEPSHIJH-UHFFFAOYSA-N -1 1 325.368 2.327 20 0 EEADMM O=C([O-])C1(CN2CCN(C(=O)CCCc3ccccc3)CC2)CC1 ZINC001601270324 1350245671 /nfs/dbraw/zinc/24/56/71/1350245671.db2.gz HQPVPNUKXZRMDE-UHFFFAOYSA-N -1 1 330.428 2.018 20 0 EEADMM O=C([O-])C12CC(C1)CN2CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001601307232 1350254591 /nfs/dbraw/zinc/25/45/91/1350254591.db2.gz WZXZOWUUBXCBCR-UHFFFAOYSA-N -1 1 344.289 2.073 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(N2CCNC2=O)cc1)c1ccccc1F ZINC001601674643 1350334629 /nfs/dbraw/zinc/33/46/29/1350334629.db2.gz KDJZRHJEGUJGRZ-INIZCTEOSA-N -1 1 343.358 2.271 20 0 EEADMM O=C([O-])C1(C2(O)CCN(Cc3ccnn3C3CCC3)CC2)CCC1 ZINC001601707356 1350344456 /nfs/dbraw/zinc/34/44/56/1350344456.db2.gz MXPBIBIPZZPASG-UHFFFAOYSA-N -1 1 333.432 2.190 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001601773133 1350361600 /nfs/dbraw/zinc/36/16/00/1350361600.db2.gz PPRYPMZKUWANLR-FUHWJXTLSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])CCCC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001601979461 1350410058 /nfs/dbraw/zinc/41/00/58/1350410058.db2.gz SOMPHEJATRNFJP-UHFFFAOYSA-N -1 1 333.310 2.389 20 0 EEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]cc2ncnc1-2 ZINC001602059048 1350429578 /nfs/dbraw/zinc/42/95/78/1350429578.db2.gz GEEZWQYFWWTCQI-UHFFFAOYSA-N -1 1 344.758 2.338 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC001602195322 1350462981 /nfs/dbraw/zinc/46/29/81/1350462981.db2.gz ODTULOVVIWUDBH-RITPCOANSA-N -1 1 341.236 2.073 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@H]1CC3(CCC3)C(=O)O1)CC2 ZINC001602367363 1350505425 /nfs/dbraw/zinc/50/54/25/1350505425.db2.gz VMYKOAWKKXKMMM-LLVKDONJSA-N -1 1 333.359 2.368 20 0 EEADMM O=C([O-])c1ccc2c(c1)CC[C@H](NCc1ccc(O)c(F)c1)C(=O)N2 ZINC001602414167 1350513743 /nfs/dbraw/zinc/51/37/43/1350513743.db2.gz JZFAWTDYUUIMCM-HNNXBMFYSA-N -1 1 344.342 2.273 20 0 EEADMM O=C([O-])c1ccc2c(c1)nc(CN[C@@H]1CCC[C@]13CCCO3)[nH]c2=O ZINC001602416972 1350514497 /nfs/dbraw/zinc/51/44/97/1350514497.db2.gz ARHWTCIGIQDRCT-KDOFPFPSSA-N -1 1 343.383 2.225 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1CCCC[C@H]1CO ZINC001602431193 1350517920 /nfs/dbraw/zinc/51/79/20/1350517920.db2.gz UDEPOWJEZMFVKF-JTQLQIEISA-N -1 1 328.206 2.494 20 0 EEADMM C/C(=C/CN(CCO)Cc1ccc(Br)s1)C(=O)[O-] ZINC001602963220 1350613231 /nfs/dbraw/zinc/61/32/31/1350613231.db2.gz YNUNAQHQPUAKLU-WTKPLQERSA-N -1 1 334.235 2.336 20 0 EEADMM CC(C)(C)c1coc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001603120669 1350645028 /nfs/dbraw/zinc/64/50/28/1350645028.db2.gz KTADKQMDMVSDSS-UHFFFAOYSA-N -1 1 347.766 2.453 20 0 EEADMM CC(C)=CCNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001603185949 1350658688 /nfs/dbraw/zinc/65/86/88/1350658688.db2.gz AUIKEAGQZFDBDR-UHFFFAOYSA-N -1 1 349.441 2.326 20 0 EEADMM C[C@@H](CCCCO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603471468 1350709822 /nfs/dbraw/zinc/70/98/22/1350709822.db2.gz FOMHVHIORZFQRO-QMMMGPOBSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@@H](CCCCO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603471468 1350709826 /nfs/dbraw/zinc/70/98/26/1350709826.db2.gz FOMHVHIORZFQRO-QMMMGPOBSA-N -1 1 330.314 2.244 20 0 EEADMM CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001603721408 1350750522 /nfs/dbraw/zinc/75/05/22/1350750522.db2.gz XQQPTKBSLBLCNK-ZDUSSCGKSA-N -1 1 335.448 2.096 20 0 EEADMM CC1(C)CC[C@@H](CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)OC1 ZINC001603770851 1350762537 /nfs/dbraw/zinc/76/25/37/1350762537.db2.gz MKPUSRSIXTYRSP-JTQLQIEISA-N -1 1 345.407 2.001 20 0 EEADMM CC1(C)CC[C@H](n2cc(-c3nn[n-]n3)c3ccsc3c2=O)C1=O ZINC001603772713 1350763527 /nfs/dbraw/zinc/76/35/27/1350763527.db2.gz SEHQWHAWYRSGFN-JTQLQIEISA-N -1 1 329.385 2.173 20 0 EEADMM CC(C)C[C@H]1CN(C)CCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001603785168 1350767407 /nfs/dbraw/zinc/76/74/07/1350767407.db2.gz YVPYDVDEXKTNLW-HNNXBMFYSA-N -1 1 349.431 2.344 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]1[C@H]1CCCO1 ZINC001603785403 1350767416 /nfs/dbraw/zinc/76/74/16/1350767416.db2.gz WYLZEBNZXVOBGT-TZMCWYRMSA-N -1 1 345.378 2.035 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]1[C@H]1CCCO1 ZINC001603785403 1350767418 /nfs/dbraw/zinc/76/74/18/1350767418.db2.gz WYLZEBNZXVOBGT-TZMCWYRMSA-N -1 1 345.378 2.035 20 0 EEADMM CCC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)nc(C)n2)c(F)c1 ZINC001603976357 1350817695 /nfs/dbraw/zinc/81/76/95/1350817695.db2.gz RMPVQMQQEMWEIK-UHFFFAOYSA-N -1 1 328.307 2.489 20 0 EEADMM CCC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)nc(C)n2)c(F)c1 ZINC001603976357 1350817697 /nfs/dbraw/zinc/81/76/97/1350817697.db2.gz RMPVQMQQEMWEIK-UHFFFAOYSA-N -1 1 328.307 2.489 20 0 EEADMM CC[C@H](C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)OC ZINC001604000338 1350825503 /nfs/dbraw/zinc/82/55/03/1350825503.db2.gz PNSGZFVXIXYMQE-GXFFZTMASA-N -1 1 342.403 2.139 20 0 EEADMM CC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC001604049704 1350838358 /nfs/dbraw/zinc/83/83/58/1350838358.db2.gz DVEYXBVHWCOZIH-LBPRGKRZSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604117216 1350863248 /nfs/dbraw/zinc/86/32/48/1350863248.db2.gz YBTOQQPUIQNDAI-CYBMUJFWSA-N -1 1 340.412 2.473 20 0 EEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604117216 1350863251 /nfs/dbraw/zinc/86/32/51/1350863251.db2.gz YBTOQQPUIQNDAI-CYBMUJFWSA-N -1 1 340.412 2.473 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604133958 1350868511 /nfs/dbraw/zinc/86/85/11/1350868511.db2.gz APUKKRLIQRWMFH-GWCFXTLKSA-N -1 1 344.419 2.317 20 0 EEADMM C[C@@H](CN(Cc1cnc2n1CCOC2)Cc1ccccc1)C(=O)[O-] ZINC001604165450 1350881028 /nfs/dbraw/zinc/88/10/28/1350881028.db2.gz DTKKFDQCMANXCP-AWEZNQCLSA-N -1 1 329.400 2.136 20 0 EEADMM CCOCCCCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001604431155 1350936490 /nfs/dbraw/zinc/93/64/90/1350936490.db2.gz RQNVVXMDSPUCPM-UHFFFAOYSA-N -1 1 341.213 2.253 20 0 EEADMM CCOCCCCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001604431155 1350936493 /nfs/dbraw/zinc/93/64/93/1350936493.db2.gz RQNVVXMDSPUCPM-UHFFFAOYSA-N -1 1 341.213 2.253 20 0 EEADMM C[C@H](Oc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1)C(=O)[O-] ZINC001604430533 1350936497 /nfs/dbraw/zinc/93/64/97/1350936497.db2.gz UATOOMFIZMDMOG-GUYCJALGSA-N -1 1 342.395 2.245 20 0 EEADMM CC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001604483880 1350947935 /nfs/dbraw/zinc/94/79/35/1350947935.db2.gz BKGPXOCJIWQUOD-MRVPVSSYSA-N -1 1 334.327 2.068 20 0 EEADMM CCc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cc1 ZINC001604518012 1350953112 /nfs/dbraw/zinc/95/31/12/1350953112.db2.gz DURWMBJCGGMENK-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CCc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1 ZINC001604518012 1350953114 /nfs/dbraw/zinc/95/31/14/1350953114.db2.gz DURWMBJCGGMENK-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001604534231 1350956468 /nfs/dbraw/zinc/95/64/68/1350956468.db2.gz CRHYKUVPXCOUPQ-UHFFFAOYSA-N -1 1 329.385 2.230 20 0 EEADMM CCn1c2ccccc2nc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001604599483 1350967466 /nfs/dbraw/zinc/96/74/66/1350967466.db2.gz LJFTYYPRAHXYGA-UHFFFAOYSA-N -1 1 326.389 2.305 20 0 EEADMM CN(C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC001604643428 1350975854 /nfs/dbraw/zinc/97/58/54/1350975854.db2.gz PQHNYSZMNGOOPD-UHFFFAOYSA-N -1 1 332.364 2.413 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)C1 ZINC001604734549 1350993749 /nfs/dbraw/zinc/99/37/49/1350993749.db2.gz SPNFRIZHDFVXFG-CQSZACIVSA-N -1 1 345.443 2.250 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccc(Cl)c(F)c1 ZINC001604790914 1351004637 /nfs/dbraw/zinc/00/46/37/1351004637.db2.gz OLEHADCQMVEHHQ-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1nc(Cl)ccc1Cl ZINC001604795165 1351006828 /nfs/dbraw/zinc/00/68/28/1351006828.db2.gz SPEPSJPFPFFMQR-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-] ZINC001604928760 1351032743 /nfs/dbraw/zinc/03/27/43/1351032743.db2.gz LCPQPLBINVIVSD-GDZNZVCISA-N -1 1 338.423 2.304 20 0 EEADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC001604975915 1351043395 /nfs/dbraw/zinc/04/33/95/1351043395.db2.gz GASAVKDIMOIXHC-BDAKNGLRSA-N -1 1 349.391 2.478 20 0 EEADMM COCc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001605133998 1351084945 /nfs/dbraw/zinc/08/49/45/1351084945.db2.gz ZDFSXNLTIHOAPG-UHFFFAOYSA-N -1 1 327.319 2.405 20 0 EEADMM COCc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001605133998 1351084950 /nfs/dbraw/zinc/08/49/50/1351084950.db2.gz ZDFSXNLTIHOAPG-UHFFFAOYSA-N -1 1 327.319 2.405 20 0 EEADMM COCc1ccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)cc1 ZINC001605133868 1351084968 /nfs/dbraw/zinc/08/49/68/1351084968.db2.gz IAEWPMMKPFVVKX-UHFFFAOYSA-N -1 1 347.378 2.376 20 0 EEADMM COc1ccccc1[C@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605331178 1351138811 /nfs/dbraw/zinc/13/88/11/1351138811.db2.gz GGZRMTQPIOGCTH-CQSZACIVSA-N -1 1 337.387 2.315 20 0 EEADMM COc1ccccc1[C@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605331178 1351138813 /nfs/dbraw/zinc/13/88/13/1351138813.db2.gz GGZRMTQPIOGCTH-CQSZACIVSA-N -1 1 337.387 2.315 20 0 EEADMM COc1ncc(NC(=O)c2ccc3cnccc3c2)cc1-c1nn[n-]n1 ZINC001605348607 1351142438 /nfs/dbraw/zinc/14/24/38/1351142438.db2.gz PHWXXYMJCSDNDK-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)c2nc3ccccc3o2)n1 ZINC001605575171 1351192487 /nfs/dbraw/zinc/19/24/87/1351192487.db2.gz LOAHXWBEYWVFHG-SECBINFHSA-N -1 1 336.359 2.322 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)c2nc3ccccc3o2)n1 ZINC001605575171 1351192489 /nfs/dbraw/zinc/19/24/89/1351192489.db2.gz LOAHXWBEYWVFHG-SECBINFHSA-N -1 1 336.359 2.322 20 0 EEADMM Cc1ccc(OC[C@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605878197 1351244595 /nfs/dbraw/zinc/24/45/95/1351244595.db2.gz GDGGMZXIBCNBHR-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(OC[C@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605878197 1351244600 /nfs/dbraw/zinc/24/46/00/1351244600.db2.gz GDGGMZXIBCNBHR-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001605888891 1351247232 /nfs/dbraw/zinc/24/72/32/1351247232.db2.gz SVCSDUFSJNIIRK-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001605888891 1351247234 /nfs/dbraw/zinc/24/72/34/1351247234.db2.gz SVCSDUFSJNIIRK-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM CCc1oc2ccccc2c1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001605892405 1351248446 /nfs/dbraw/zinc/24/84/46/1351248446.db2.gz PSZYBIAYHWXPEI-AWEZNQCLSA-N -1 1 330.384 2.160 20 0 EEADMM Cc1cccc(N(C)C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n1 ZINC001605916704 1351253182 /nfs/dbraw/zinc/25/31/82/1351253182.db2.gz PUVSYWOKWGUEKM-UHFFFAOYSA-N -1 1 333.355 2.328 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cscc2C(F)(F)F)c1-c1nn[n-]n1 ZINC001606014055 1351263345 /nfs/dbraw/zinc/26/33/45/1351263345.db2.gz NVPDNOSWSVUPHR-UHFFFAOYSA-N -1 1 343.294 2.231 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c3cccnc23)c1-c1nnn[n-]1 ZINC001606112157 1351272836 /nfs/dbraw/zinc/27/28/36/1351272836.db2.gz DHEMOUZZHZIVRI-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c3cccnc23)c1-c1nn[n-]n1 ZINC001606112157 1351272837 /nfs/dbraw/zinc/27/28/37/1351272837.db2.gz DHEMOUZZHZIVRI-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC[C@@H](C)OCc1ccccc1 ZINC001606376954 1351298337 /nfs/dbraw/zinc/29/83/37/1351298337.db2.gz XMJZEYYRTZAHFF-OIISXLGYSA-N -1 1 349.427 2.320 20 0 EEADMM COC(=O)c1cc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)c(C)o1 ZINC001606542243 1351319302 /nfs/dbraw/zinc/31/93/02/1351319302.db2.gz DQCHPUVIXWHKSQ-KRWDZBQOSA-N -1 1 332.356 2.249 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637806 1351335382 /nfs/dbraw/zinc/33/53/82/1351335382.db2.gz GDJKGYUBCHSDBG-DOMZBBRYSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637806 1351335389 /nfs/dbraw/zinc/33/53/89/1351335389.db2.gz GDJKGYUBCHSDBG-DOMZBBRYSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(NC/C=C\C1CC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606756616 1351351530 /nfs/dbraw/zinc/35/15/30/1351351530.db2.gz YLFDIHGXCLVARR-UPHRSURJSA-N -1 1 325.785 2.064 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001606762498 1351353246 /nfs/dbraw/zinc/35/32/46/1351353246.db2.gz UVYSRSZVICFFFP-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001606762498 1351353249 /nfs/dbraw/zinc/35/32/49/1351353249.db2.gz UVYSRSZVICFFFP-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCCc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001606797246 1351358206 /nfs/dbraw/zinc/35/82/06/1351358206.db2.gz RZZKDAGTHSGATN-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCCc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606797246 1351358207 /nfs/dbraw/zinc/35/82/07/1351358207.db2.gz RZZKDAGTHSGATN-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM COC[C@]1(C(=O)OC(C)(C)C)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC001606834858 1351364595 /nfs/dbraw/zinc/36/45/95/1351364595.db2.gz ZWENGMLCAVDMRL-KRWDZBQOSA-N -1 1 339.388 2.158 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCSc2ccccc21 ZINC001606933016 1351379085 /nfs/dbraw/zinc/37/90/85/1351379085.db2.gz DDAFXRKSKYMRAU-LLVKDONJSA-N -1 1 338.396 2.480 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCSc2ccccc21 ZINC001606933016 1351379086 /nfs/dbraw/zinc/37/90/86/1351379086.db2.gz DDAFXRKSKYMRAU-LLVKDONJSA-N -1 1 338.396 2.480 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H](Cc1ccccc1)C1CC1 ZINC001606934208 1351379853 /nfs/dbraw/zinc/37/98/53/1351379853.db2.gz XLQQAZBUOCKUIU-OAHLLOKOSA-N -1 1 349.398 2.405 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H](Cc1ccccc1)C1CC1 ZINC001606934208 1351379859 /nfs/dbraw/zinc/37/98/59/1351379859.db2.gz XLQQAZBUOCKUIU-OAHLLOKOSA-N -1 1 349.398 2.405 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCCC[C@H]1F ZINC001606950417 1351383149 /nfs/dbraw/zinc/38/31/49/1351383149.db2.gz VVFWZIASDPNEMK-RITPCOANSA-N -1 1 345.791 2.379 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccoc1C(F)(F)F ZINC001606982553 1351391413 /nfs/dbraw/zinc/39/14/13/1351391413.db2.gz SGZLFNYOYDWHNH-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccoc1C(F)(F)F ZINC001606982553 1351391416 /nfs/dbraw/zinc/39/14/16/1351391416.db2.gz SGZLFNYOYDWHNH-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC001607016574 1351397478 /nfs/dbraw/zinc/39/74/78/1351397478.db2.gz AFILRRHYZJPRON-GFCCVEGCSA-N -1 1 325.328 2.143 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC001607016574 1351397481 /nfs/dbraw/zinc/39/74/81/1351397481.db2.gz AFILRRHYZJPRON-GFCCVEGCSA-N -1 1 325.328 2.143 20 0 EEADMM OCC[C@@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001607105305 1351420232 /nfs/dbraw/zinc/42/02/32/1351420232.db2.gz DJDREDVWOOWMIZ-JTQLQIEISA-N -1 1 342.325 2.022 20 0 EEADMM OCC[C@@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001607105305 1351420234 /nfs/dbraw/zinc/42/02/34/1351420234.db2.gz DJDREDVWOOWMIZ-JTQLQIEISA-N -1 1 342.325 2.022 20 0 EEADMM c1ccc(COCCC2(Nc3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001607128844 1351431192 /nfs/dbraw/zinc/43/11/92/1351431192.db2.gz IGIBPRPWBSWBBU-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1ccc(COCCC2(Nc3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001607128844 1351431196 /nfs/dbraw/zinc/43/11/96/1351431196.db2.gz IGIBPRPWBSWBBU-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1[nH]nc(NCc2ccccc2OCc2cccnc2)c1-c1nnn[n-]1 ZINC001607135750 1351435131 /nfs/dbraw/zinc/43/51/31/1351435131.db2.gz PIAUILZWTBXPGQ-UHFFFAOYSA-N -1 1 348.370 2.176 20 0 EEADMM c1[nH]nc(NCc2ccccc2OCc2cccnc2)c1-c1nn[n-]n1 ZINC001607135750 1351435133 /nfs/dbraw/zinc/43/51/33/1351435133.db2.gz PIAUILZWTBXPGQ-UHFFFAOYSA-N -1 1 348.370 2.176 20 0 EEADMM COc1ccc([C@H](NC(C)C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001607232958 1351454679 /nfs/dbraw/zinc/45/46/79/1351454679.db2.gz ZCNSYOBKDGNZAH-INIZCTEOSA-N -1 1 343.383 2.466 20 0 EEADMM COc1nsc(CN2CCOC[C@H](C3CCC3)C2)c1C(=O)[O-] ZINC001607364487 1351483103 /nfs/dbraw/zinc/48/31/03/1351483103.db2.gz XLWSVVQLPDEXKH-LLVKDONJSA-N -1 1 326.418 2.098 20 0 EEADMM Cc1ccc([C@H]2CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C3CC3)C2)cc1 ZINC001607767428 1351554651 /nfs/dbraw/zinc/55/46/51/1351554651.db2.gz ZXIHAPMAUQWSFE-ZBFHGGJFSA-N -1 1 330.428 2.454 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)Nc3cnccc3C(=O)[O-])cc2o1 ZINC001607973280 1351595925 /nfs/dbraw/zinc/59/59/25/1351595925.db2.gz JAMHAXNJAXEUCF-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@H](C2CCOCC2)C1 ZINC001608332864 1351672914 /nfs/dbraw/zinc/67/29/14/1351672914.db2.gz NTRGBAZVIDZXPX-HNNXBMFYSA-N -1 1 346.427 2.462 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC001608339602 1351674460 /nfs/dbraw/zinc/67/44/60/1351674460.db2.gz CABCWWBAPWWSJJ-AEFFLSMTSA-N -1 1 340.379 2.443 20 0 EEADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001608390501 1351685043 /nfs/dbraw/zinc/68/50/43/1351685043.db2.gz QZDPVVNLVRFLNG-QMMMGPOBSA-N -1 1 335.669 2.352 20 0 EEADMM Cc1ccoc1CC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786225 1352431038 /nfs/dbraw/zinc/43/10/38/1352431038.db2.gz SKGRBESADUBVTE-AWEZNQCLSA-N -1 1 349.753 2.342 20 0 EEADMM CSc1nc(CNC(=O)c2ccc3ccccc3n2)cc(=O)[n-]1 ZINC001627725054 1352507751 /nfs/dbraw/zinc/50/77/51/1352507751.db2.gz SILKFHMAMWGVHL-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM CSc1ncc(C(=O)Nc2ccn(-c3ccccc3)n2)c(=O)[n-]1 ZINC001630211066 1352565606 /nfs/dbraw/zinc/56/56/06/1352565606.db2.gz MDGFCZIPWLUCRH-UHFFFAOYSA-N -1 1 327.369 2.342 20 0 EEADMM Nc1ncnc2sc3c(c21)CCN(C(=O)c1ccc([O-])c(F)c1)C3 ZINC001638272246 1352686669 /nfs/dbraw/zinc/68/66/69/1352686669.db2.gz AQBAUHIYWHWUCP-UHFFFAOYSA-N -1 1 344.371 2.317 20 0 EEADMM Cn1ccnc1C(NC(=O)c1c([O-])cccc1Cl)c1nccn1C ZINC001641681303 1352723881 /nfs/dbraw/zinc/72/38/81/1352723881.db2.gz SCTYWMHDYRTHIW-UHFFFAOYSA-N -1 1 345.790 2.032 20 0 EEADMM Nc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001647233710 1353200762 /nfs/dbraw/zinc/20/07/62/1353200762.db2.gz HKLOMOOHVGPYQE-UHFFFAOYSA-N -1 1 325.368 2.105 20 0 EEADMM O=C([O-])[C@H](CC(F)(F)F)NCc1ccncc1Br ZINC001647409606 1353266924 /nfs/dbraw/zinc/26/69/24/1353266924.db2.gz KEFLUUUTAWBKDW-QMMMGPOBSA-N -1 1 327.100 2.339 20 0 EEADMM C[C@@H](C(=O)NC1(C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC001647420570 1353270572 /nfs/dbraw/zinc/27/05/72/1353270572.db2.gz QXGDFEXSVDSXNQ-AWEZNQCLSA-N -1 1 330.428 2.063 20 0 EEADMM O=C(CSCc1ccc(Cl)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001649334052 1353484297 /nfs/dbraw/zinc/48/42/97/1353484297.db2.gz CDXJXBOQIDLDAX-LLVKDONJSA-N -1 1 337.836 2.102 20 0 EEADMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N[C@H]2C[C@H](O)C2)cc1 ZINC001650229151 1353786496 /nfs/dbraw/zinc/78/64/96/1353786496.db2.gz MCCNASAURUDTLZ-HDJSIYSDSA-N -1 1 348.424 2.431 20 0 EEADMM COc1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)c(Cl)c1 ZINC000074995204 1354372601 /nfs/dbraw/zinc/37/26/01/1354372601.db2.gz NPBCATOAEFWVKH-UHFFFAOYSA-N -1 1 330.793 2.432 20 0 EEADMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1C ZINC000076935989 1354552593 /nfs/dbraw/zinc/55/25/93/1354552593.db2.gz UZUMIDYTVKRDRN-UHFFFAOYSA-N -1 1 329.381 2.075 20 0 EEADMM Cn1ccc2cccc(NC(=O)N3CCC(c4nn[n-]n4)CC3)c21 ZINC001670242677 1356302875 /nfs/dbraw/zinc/30/28/75/1356302875.db2.gz UXMHZTVSHBLHAY-UHFFFAOYSA-N -1 1 325.376 2.103 20 0 EEADMM Cc1cc(C(=O)NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])co1 ZINC001388515636 1387519610 /nfs/dbraw/zinc/51/96/10/1387519610.db2.gz CKWSXOQENDKIMS-AWEZNQCLSA-N -1 1 345.399 2.263 20 0 EEADMM CC(C)CC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001388803784 1387714826 /nfs/dbraw/zinc/71/48/26/1387714826.db2.gz GQZRAMXXKPOPFD-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM COc1cccc(F)c1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346825417 1368139193 /nfs/dbraw/zinc/13/91/93/1368139193.db2.gz QCAWEDCANYSKGW-UHFFFAOYSA-N -1 1 343.318 2.179 20 0 EEADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1-c1nn[nH]n1 ZINC001186990809 1368222898 /nfs/dbraw/zinc/22/28/98/1368222898.db2.gz FALVCGXTGSYXOA-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1n[n-]nc1C(F)(F)F ZINC001187773205 1368262673 /nfs/dbraw/zinc/26/26/73/1368262673.db2.gz AGUNAISGDSYDFU-SSDOTTSWSA-N -1 1 332.669 2.340 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1ncsc1C(F)(F)F ZINC001188207943 1368290394 /nfs/dbraw/zinc/29/03/94/1368290394.db2.gz YJKSTQJQHUHQIM-UHFFFAOYSA-N -1 1 335.223 2.013 20 0 EEADMM O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([O-])cnc1Cl ZINC001195314065 1368517924 /nfs/dbraw/zinc/51/79/24/1368517924.db2.gz DETPQMMRHAHZCD-UHFFFAOYSA-N -1 1 334.685 2.129 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](N2CCOC2=O)C1 ZINC000855510328 1369393162 /nfs/dbraw/zinc/39/31/62/1369393162.db2.gz NTCFRACJJODQTL-ZDUSSCGKSA-N -1 1 326.352 2.212 20 0 EEADMM CC(C)=C(F)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001073879579 1370922737 /nfs/dbraw/zinc/92/27/37/1370922737.db2.gz STWROGDUMVQNOZ-NWDGAFQWSA-N -1 1 335.379 2.017 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCc3cnn(C)c3C2)c1 ZINC000798765247 1371608913 /nfs/dbraw/zinc/60/89/13/1371608913.db2.gz JSWIULZQLBLWFK-OAHLLOKOSA-N -1 1 342.395 2.219 20 0 EEADMM COc1ccc(F)c(CN2CCC([N-]C(=O)C(F)(F)F)CC2)c1 ZINC001137996407 1372320637 /nfs/dbraw/zinc/32/06/37/1372320637.db2.gz NUDRHAMBNQVJCT-UHFFFAOYSA-N -1 1 334.313 2.477 20 0 EEADMM CCCNC(=O)Cc1csc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000830714096 1372344529 /nfs/dbraw/zinc/34/45/29/1372344529.db2.gz RXCSQSFCMMIFIP-UHFFFAOYSA-N -1 1 337.376 2.309 20 0 EEADMM CC1(C)C[C@](C)(NC(=O)c2cc(Br)ccc2[O-])C(=O)O1 ZINC000848154694 1373093074 /nfs/dbraw/zinc/09/30/74/1373093074.db2.gz PMVBZZGPPSYRNI-AWEZNQCLSA-N -1 1 342.189 2.369 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cnc(C2CC2)o1 ZINC001362376794 1373398515 /nfs/dbraw/zinc/39/85/15/1373398515.db2.gz KBONDAHMQYCZPI-UHFFFAOYSA-N -1 1 339.348 2.315 20 0 EEADMM Cc1cccnc1NC(=O)CCNC(=O)c1c(F)ccc([O-])c1F ZINC001362700991 1373452142 /nfs/dbraw/zinc/45/21/42/1373452142.db2.gz MROIGEWGOBDNIP-UHFFFAOYSA-N -1 1 335.310 2.132 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)cc1C ZINC001365620127 1373745054 /nfs/dbraw/zinc/74/50/54/1373745054.db2.gz GDZPLKMXIRCHRP-ZMLRMANQSA-N -1 1 329.418 2.478 20 0 EEADMM C[C@H](C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-])C1CCC1 ZINC001370404009 1374922046 /nfs/dbraw/zinc/92/20/46/1374922046.db2.gz ZLDNAKNMIXGVSO-SWLSCSKDSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@@H](CNC(=O)c1ccsc1C)NC(=O)c1ncccc1[O-] ZINC001375077140 1377346964 /nfs/dbraw/zinc/34/69/64/1377346964.db2.gz WDIRJVRJENIFAE-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM Cc1oc(C)c(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001375694295 1377930804 /nfs/dbraw/zinc/93/08/04/1377930804.db2.gz HZEGCMATAPZDCS-SNVBAGLBSA-N -1 1 345.399 2.101 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376258206 1378399004 /nfs/dbraw/zinc/39/90/04/1378399004.db2.gz HMBOHZURUZLACR-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001376385977 1378510521 /nfs/dbraw/zinc/51/05/21/1378510521.db2.gz QOSFCZKAAHZVIO-UONOGXRCSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](C)CC(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379848658 1380916200 /nfs/dbraw/zinc/91/62/00/1380916200.db2.gz VKZJEKJPMXVZGY-UGSOOPFHSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001380693685 1381342783 /nfs/dbraw/zinc/34/27/83/1381342783.db2.gz WWVOAHBJDPPPFH-SJKOYZFVSA-N -1 1 339.411 2.282 20 0 EEADMM CCCCC(=O)N1CCC[C@H]([C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001380988267 1381484192 /nfs/dbraw/zinc/48/41/92/1381484192.db2.gz FWIBVVSGKMUYDE-GJZGRUSLSA-N -1 1 349.479 2.151 20 0 EEADMM CCCC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)C(C)C ZINC001381074478 1381500847 /nfs/dbraw/zinc/50/08/47/1381500847.db2.gz CLPXBIBDCPSJKH-CYBMUJFWSA-N -1 1 348.447 2.120 20 0 EEADMM CCCC[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ncccc1[O-] ZINC001381076378 1381501105 /nfs/dbraw/zinc/50/11/05/1381501105.db2.gz DNVWTBMJEZITHJ-QLFBSQMISA-N -1 1 345.443 2.238 20 0 EEADMM CCCC[C@H](CNC(=O)C1(CC)CC1)NC(=O)c1ncccc1[O-] ZINC001383228160 1382404669 /nfs/dbraw/zinc/40/46/69/1382404669.db2.gz VMPRJLTZHLOVKD-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)CCCC1 ZINC001384052789 1382766129 /nfs/dbraw/zinc/76/61/29/1382766129.db2.gz VZSSGIPFRCPKJV-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(N[C@@H](CNC(=O)C1CCCCCC1)C1CC1)c1ncccc1[O-] ZINC001385692059 1385777094 /nfs/dbraw/zinc/77/70/94/1385777094.db2.gz XNZQHISGICNJCG-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cscc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001386670665 1386250640 /nfs/dbraw/zinc/25/06/40/1386250640.db2.gz YPQAYBDDYIELOZ-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)C(C)(C)C ZINC001387635879 1386912601 /nfs/dbraw/zinc/91/26/01/1386912601.db2.gz MXIDVTRTWPGEHY-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCC(C)(F)F ZINC001391584035 1389453369 /nfs/dbraw/zinc/45/33/69/1389453369.db2.gz PAUDGVXPAAUJCB-LLVKDONJSA-N -1 1 343.374 2.093 20 0 EEADMM C[C@@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccs1 ZINC001391814021 1389623802 /nfs/dbraw/zinc/62/38/02/1389623802.db2.gz WDDXWYIETILEIR-BDJLRTHQSA-N -1 1 349.460 2.040 20 0 EEADMM CCC[C@](C)(CC)C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001393809215 1390549217 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EEADMM C[C@H](CNC(=O)C(C)(C)C1CCC1)N(C)C(=O)c1ncccc1[O-] ZINC001424221137 1400978178 /nfs/dbraw/zinc/97/81/78/1400978178.db2.gz WMSNYWRZLYPAGK-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(CC(=O)NC[C@@H]2CCCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001424468138 1401125456 /nfs/dbraw/zinc/12/54/56/1401125456.db2.gz RNMKSYNBMVGNOZ-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCC1CC1 ZINC001426007571 1401847109 /nfs/dbraw/zinc/84/71/09/1401847109.db2.gz NXODKKMWTRVMEB-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001426529107 1402083687 /nfs/dbraw/zinc/08/36/87/1402083687.db2.gz JKPHPZRTZWAEJC-CYBMUJFWSA-N -1 1 347.459 2.438 20 0 EEADMM CCCC[C@@H](CNC(=O)CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001426958337 1402273276 /nfs/dbraw/zinc/27/32/76/1402273276.db2.gz XECXBDRZPHONPZ-JTQLQIEISA-N -1 1 347.337 2.144 20 0 EEADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC001433926677 1403446167 /nfs/dbraw/zinc/44/61/67/1403446167.db2.gz OGMXZBRVSQXXLZ-SFHVURJKSA-N -1 1 326.327 2.267 20 0 EEADMM C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)c1nnc2ccccn21 ZINC001575452742 1403550155 /nfs/dbraw/zinc/55/01/55/1403550155.db2.gz VZXDUOHFJAXBOR-LURJTMIESA-N -1 1 347.795 2.192 20 0 EEADMM C[C@H](OC1CCCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575487430 1403551268 /nfs/dbraw/zinc/55/12/68/1403551268.db2.gz ZQRSOYVNZCAODR-JTQLQIEISA-N -1 1 335.433 2.282 20 0 EEADMM CCC(CC)CN(CC)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576759114 1403601556 /nfs/dbraw/zinc/60/15/56/1403601556.db2.gz WNVHIOGDLZEOTD-UHFFFAOYSA-N -1 1 332.408 2.174 20 0 EEADMM CCCC[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(C)=O ZINC001577484297 1403656743 /nfs/dbraw/zinc/65/67/43/1403656743.db2.gz QTPZUJQMNXUJEF-QMMMGPOBSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(C)=O ZINC001577484297 1403656747 /nfs/dbraw/zinc/65/67/47/1403656747.db2.gz QTPZUJQMNXUJEF-QMMMGPOBSA-N -1 1 343.844 2.083 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2Cc3c(cc(C)cc3F)N2)n1 ZINC001578062810 1403715323 /nfs/dbraw/zinc/71/53/23/1403715323.db2.gz FFWUBOTYISKVIQ-GFCCVEGCSA-N -1 1 332.335 2.009 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CCO2 ZINC001578527416 1403767871 /nfs/dbraw/zinc/76/78/71/1403767871.db2.gz QAPVLPUNBBSLCC-ZDUSSCGKSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCO2 ZINC001578527416 1403767878 /nfs/dbraw/zinc/76/78/78/1403767878.db2.gz QAPVLPUNBBSLCC-ZDUSSCGKSA-N -1 1 339.355 2.276 20 0 EEADMM COc1cc(Br)cc(Nc2ncncc2-c2nn[n-]n2)c1 ZINC001579888811 1403791328 /nfs/dbraw/zinc/79/13/28/1403791328.db2.gz QBARIIKVLIKRRZ-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001579916414 1403797014 /nfs/dbraw/zinc/79/70/14/1403797014.db2.gz KPVMMORZZHZJAM-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COCc1c(Cl)cccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591455204 1403913691 /nfs/dbraw/zinc/91/36/91/1403913691.db2.gz RKGKPRKSSITPKK-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM COCc1c(Cl)cccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591455204 1403913694 /nfs/dbraw/zinc/91/36/94/1403913694.db2.gz RKGKPRKSSITPKK-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM COc1ccccc1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001591651010 1403933905 /nfs/dbraw/zinc/93/39/05/1403933905.db2.gz GHXBLQISLMQYEO-UHFFFAOYSA-N -1 1 333.355 2.182 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591651756 1403936686 /nfs/dbraw/zinc/93/66/86/1403936686.db2.gz MPZLRQKAIILZRY-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591651756 1403936689 /nfs/dbraw/zinc/93/66/89/1403936689.db2.gz MPZLRQKAIILZRY-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001591977201 1403977968 /nfs/dbraw/zinc/97/79/68/1403977968.db2.gz OLZXEHAUIDQVMY-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001591977201 1403977978 /nfs/dbraw/zinc/97/79/78/1403977978.db2.gz OLZXEHAUIDQVMY-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1nc2nc(SCc3ccc(-c4nnn[n-]4)o3)nn2c(C)c1C ZINC001592405462 1404030953 /nfs/dbraw/zinc/03/09/53/1404030953.db2.gz XLQHQTVUQBRLIF-UHFFFAOYSA-N -1 1 342.388 2.115 20 0 EEADMM Cc1nc2nc(SCc3ccc(-c4nn[n-]n4)o3)nn2c(C)c1C ZINC001592405462 1404030966 /nfs/dbraw/zinc/03/09/66/1404030966.db2.gz XLQHQTVUQBRLIF-UHFFFAOYSA-N -1 1 342.388 2.115 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3cnccc32)c1-c1nnn[n-]1 ZINC001592482193 1404701762 /nfs/dbraw/zinc/70/17/62/1404701762.db2.gz XGSWGELJTIAVHX-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3cnccc32)c1-c1nn[n-]n1 ZINC001592482193 1404701769 /nfs/dbraw/zinc/70/17/69/1404701769.db2.gz XGSWGELJTIAVHX-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM O=C(Cc1ccc(C2CCC2)cc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592916613 1404729022 /nfs/dbraw/zinc/72/90/22/1404729022.db2.gz MZCYKYDUIPUFDX-UHFFFAOYSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(Cc1ccc(C2CCC2)cc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592916613 1404729025 /nfs/dbraw/zinc/72/90/25/1404729025.db2.gz MZCYKYDUIPUFDX-UHFFFAOYSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@]2(CC=CCC2)C1 ZINC001592913389 1404729972 /nfs/dbraw/zinc/72/99/72/1404729972.db2.gz FRSMCKIEVZTKHM-GOSISDBHSA-N -1 1 338.415 2.153 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@]2(CC=CCC2)C1 ZINC001592913389 1404729978 /nfs/dbraw/zinc/72/99/78/1404729978.db2.gz FRSMCKIEVZTKHM-GOSISDBHSA-N -1 1 338.415 2.153 20 0 EEADMM O=C(NCC1CC(c2ccccc2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593026884 1404734344 /nfs/dbraw/zinc/73/43/44/1404734344.db2.gz KTRUGNBLDJPHHZ-UHFFFAOYSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCC1CC(c2ccccc2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593026884 1404734348 /nfs/dbraw/zinc/73/43/48/1404734348.db2.gz KTRUGNBLDJPHHZ-UHFFFAOYSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593098963 1404742228 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Cc1nc(N[C@H](C)COc2c(F)cccc2F)cc(-c2nn[n-]n2)n1 ZINC001606077969 1404763137 /nfs/dbraw/zinc/76/31/37/1404763137.db2.gz HTTRUTJEBSHWFG-MRVPVSSYSA-N -1 1 347.329 2.123 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001606192663 1404775850 /nfs/dbraw/zinc/77/58/50/1404775850.db2.gz DFUVGRJKMVHZSY-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001606192663 1404775855 /nfs/dbraw/zinc/77/58/55/1404775855.db2.gz DFUVGRJKMVHZSY-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001606301205 1404783817 /nfs/dbraw/zinc/78/38/17/1404783817.db2.gz PXQCRBPKSHPCJT-NSHDSACASA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001606301205 1404783819 /nfs/dbraw/zinc/78/38/19/1404783819.db2.gz PXQCRBPKSHPCJT-NSHDSACASA-N -1 1 331.286 2.187 20 0 EEADMM CCn1ncnc1CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001646232603 1404883098 /nfs/dbraw/zinc/88/30/98/1404883098.db2.gz HVUXACYFTPDPKU-LBPRGKRZSA-N -1 1 343.214 2.390 20 0 EEADMM CCC[C@@H](N[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000185047054 1406053661 /nfs/dbraw/zinc/05/36/61/1406053661.db2.gz XCDHACRKKOALNY-BLLLJJGKSA-N -1 1 331.416 2.058 20 0 EEADMM O=C(Cc1cccc(F)c1F)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000445969461 1409871385 /nfs/dbraw/zinc/87/13/85/1409871385.db2.gz QDXRZTLCLIGSJE-UHFFFAOYSA-N -1 1 345.309 2.238 20 0 EEADMM O=C([O-])[C@@H](F)CNCc1cc(Br)c2c(c1)OCCCO2 ZINC001771909339 1409977093 /nfs/dbraw/zinc/97/70/93/1409977093.db2.gz FNBRMXAQEBTQMS-JTQLQIEISA-N -1 1 348.168 2.123 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCc2snnc2C)c(=O)[n-]1 ZINC001772351165 1410144056 /nfs/dbraw/zinc/14/40/56/1410144056.db2.gz VLYSTCNUKXTCDA-UHFFFAOYSA-N -1 1 340.430 2.048 20 0 EEADMM CC[C@H](C)[C@@H](O)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161448 1410363112 /nfs/dbraw/zinc/36/31/12/1410363112.db2.gz JRGMHRXXWUNEFJ-BLLLJJGKSA-N -1 1 340.851 2.097 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccc(F)n2)n[n-]1 ZINC000846643932 790305365 /nfs/dbraw/zinc/30/53/65/790305365.db2.gz TWTZGKFEQDUABM-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccc(F)n2)[n-]1 ZINC000846643932 790305368 /nfs/dbraw/zinc/30/53/68/790305368.db2.gz TWTZGKFEQDUABM-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccc(F)n2)n1 ZINC000846643932 790305372 /nfs/dbraw/zinc/30/53/72/790305372.db2.gz TWTZGKFEQDUABM-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000584908714 758185546 /nfs/dbraw/zinc/18/55/46/758185546.db2.gz DNGIDAKWSFBGFK-SNVBAGLBSA-N -1 1 343.334 2.149 20 0 EEADMM Cc1ccc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001075431441 759991831 /nfs/dbraw/zinc/99/18/31/759991831.db2.gz FPVVHQQBAASFFM-JTQLQIEISA-N -1 1 333.413 2.096 20 0 EEADMM COC(=O)c1cc([O-])c(Br)c(OC[C@H]2C[C@H](O)C2)c1 ZINC001218429865 764812023 /nfs/dbraw/zinc/81/20/23/764812023.db2.gz AGEKIHQNOFVEBH-XWEPSHTISA-N -1 1 331.162 2.091 20 0 EEADMM CC1(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)CC(C)(C)C2)CCCC1 ZINC001089456396 769404979 /nfs/dbraw/zinc/40/49/79/769404979.db2.gz IHMXIMUGMZSRLB-CYBMUJFWSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000921307718 773267796 /nfs/dbraw/zinc/26/77/96/773267796.db2.gz MRJNTVKSYJXXIG-OPPILHEVSA-N -1 1 346.449 2.161 20 0 EEADMM O=C(N[C@H]1CCCCN(c2ncncc2Cl)C1)c1ncccc1[O-] ZINC001063185522 790341420 /nfs/dbraw/zinc/34/14/20/790341420.db2.gz LYOGTCXRGHMZDB-NSHDSACASA-N -1 1 347.806 2.020 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2ccc(Cl)nc2)CC1 ZINC000981026912 776402048 /nfs/dbraw/zinc/40/20/48/776402048.db2.gz QJXHEYKNWGHUSX-UHFFFAOYSA-N -1 1 346.818 2.184 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2cccc(C(=O)N(C)C)c2)[n-]1 ZINC000080718478 778067357 /nfs/dbraw/zinc/06/73/57/778067357.db2.gz QXXCFGCTOCMFLR-UHFFFAOYSA-N -1 1 337.401 2.003 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2cccc(C(=O)N(C)C)c2)c[n-]1 ZINC000080718478 778067371 /nfs/dbraw/zinc/06/73/71/778067371.db2.gz QXXCFGCTOCMFLR-UHFFFAOYSA-N -1 1 337.401 2.003 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)nc2)c1 ZINC000064620836 778893466 /nfs/dbraw/zinc/89/34/66/778893466.db2.gz NYIHKBOWJNCGDU-UHFFFAOYSA-N -1 1 342.380 2.271 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000941128521 779966061 /nfs/dbraw/zinc/96/60/61/779966061.db2.gz GXMMWIHZFTYTLV-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2nn(C)cc2Cl)c(=O)[n-]1 ZINC000893940492 780322729 /nfs/dbraw/zinc/32/27/29/780322729.db2.gz ODDXHZLZGSPWGD-UHFFFAOYSA-N -1 1 341.824 2.171 20 0 EEADMM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000060860713 790805858 /nfs/dbraw/zinc/80/58/58/790805858.db2.gz KGJFALHNSQFXRK-ZSOIEALJSA-N -1 1 345.424 2.084 20 0 EEADMM CCc1nsc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)n1 ZINC001063364472 790847644 /nfs/dbraw/zinc/84/76/44/790847644.db2.gz FFNKYAHPRBRMQI-XYPYZODXSA-N -1 1 347.444 2.354 20 0 EEADMM O=C([N-]c1c2nsnc2ccc1Cl)c1nc2ncccn2n1 ZINC001126430467 781185492 /nfs/dbraw/zinc/18/54/92/781185492.db2.gz OITZVTFUTRRUDI-UHFFFAOYSA-N -1 1 331.748 2.035 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1csc(C)n1 ZINC001087551874 781811245 /nfs/dbraw/zinc/81/12/45/781811245.db2.gz ZSJNCVMFEZTIJO-UONOGXRCSA-N -1 1 346.456 2.335 20 0 EEADMM O=C([O-])C[C@H](NS(=O)(=O)c1c(F)cccc1F)C1CCCC1 ZINC000906005260 783637228 /nfs/dbraw/zinc/63/72/28/783637228.db2.gz OFBDGESCZIKQDH-LBPRGKRZSA-N -1 1 333.356 2.277 20 0 EEADMM C[C@@H]1CN(C(=O)CCC2CCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945248624 783676616 /nfs/dbraw/zinc/67/66/16/783676616.db2.gz JTVKBOZVYRWDEG-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)C1=CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945626866 784465424 /nfs/dbraw/zinc/46/54/24/784465424.db2.gz ZSSYKYPGSZAJOC-DZGCQCFKSA-N -1 1 343.427 2.254 20 0 EEADMM Cn1cncc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817291984 784633603 /nfs/dbraw/zinc/63/36/03/784633603.db2.gz GLVKMXRKDUORGB-LBPRGKRZSA-N -1 1 338.333 2.030 20 0 EEADMM O=C(C=Cc1ccc(Cl)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473010 784641195 /nfs/dbraw/zinc/64/11/95/784641195.db2.gz BAIUPJXUVMCCOT-FIFYQCSRSA-N -1 1 341.849 2.245 20 0 EEADMM Cn1ccc(CN2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817294330 784662478 /nfs/dbraw/zinc/66/24/78/784662478.db2.gz RDBBJYGNLMICSZ-ZDUSSCGKSA-N -1 1 338.333 2.030 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481996 784688720 /nfs/dbraw/zinc/68/87/20/784688720.db2.gz MJFOAIYEAAXNOV-OCCSQVGLSA-N -1 1 331.445 2.003 20 0 EEADMM CC(C)CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945717884 784710258 /nfs/dbraw/zinc/71/02/58/784710258.db2.gz XFPNEJYLQMDTIX-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CCCN(C(=O)CCC2CC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945744095 784753014 /nfs/dbraw/zinc/75/30/14/784753014.db2.gz RTVRLGVUFMNJLS-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908719050 785648107 /nfs/dbraw/zinc/64/81/07/785648107.db2.gz XYRRNZNXPWTPSO-VXGBXAGGSA-N -1 1 340.370 2.281 20 0 EEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000908700399 785655095 /nfs/dbraw/zinc/65/50/95/785655095.db2.gz UXXBCEZTYLUWLK-JSGCOSHPSA-N -1 1 334.441 2.136 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000908700399 785655105 /nfs/dbraw/zinc/65/51/05/785655105.db2.gz UXXBCEZTYLUWLK-JSGCOSHPSA-N -1 1 334.441 2.136 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000908744365 785683488 /nfs/dbraw/zinc/68/34/88/785683488.db2.gz RYRUAEUDOUFTRQ-DZGCQCFKSA-N -1 1 349.431 2.454 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@H](c1cccs1)N(C)C ZINC000908746017 785684626 /nfs/dbraw/zinc/68/46/26/785684626.db2.gz IIPBBEBIGIKIBZ-NWDGAFQWSA-N -1 1 327.450 2.246 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CSCCS2)c(F)c1 ZINC000819875744 785693991 /nfs/dbraw/zinc/69/39/91/785693991.db2.gz GGVWMIYJEWAQHY-VIFPVBQESA-N -1 1 339.454 2.400 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908755260 785701177 /nfs/dbraw/zinc/70/11/77/785701177.db2.gz WIENYMBABUJHEW-VQGNRHNMSA-N -1 1 337.395 2.147 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000908896478 785840837 /nfs/dbraw/zinc/84/08/37/785840837.db2.gz QPZWJWWJIXZNFT-LYRGGWFBSA-N -1 1 339.395 2.114 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996140882 786079175 /nfs/dbraw/zinc/07/91/75/786079175.db2.gz DGXGTDVWSLGTLS-KBXIAJHMSA-N -1 1 341.411 2.005 20 0 EEADMM C[C@H](CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2)C1CC1 ZINC000996155120 786094203 /nfs/dbraw/zinc/09/42/03/786094203.db2.gz GXYIALMBYUPMSG-RZFFKMDDSA-N -1 1 343.427 2.085 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)c2C1 ZINC000909297435 786149025 /nfs/dbraw/zinc/14/90/25/786149025.db2.gz UDZFCWNIHROROG-BXUZGUMPSA-N -1 1 327.384 2.133 20 0 EEADMM C[C@@H](NC(=O)CN1CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909823418 786280232 /nfs/dbraw/zinc/28/02/32/786280232.db2.gz OPECLMOGAOLDOL-NVXWUHKLSA-N -1 1 332.444 2.167 20 0 EEADMM CC[C@](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)(C(=O)[O-])c1ccccc1 ZINC000909846978 786300921 /nfs/dbraw/zinc/30/09/21/786300921.db2.gz VWLSYVQOAONCEC-HBUWYVDXSA-N -1 1 327.384 2.062 20 0 EEADMM CC1(C)CCC[C@@H](CC(=O)NC2CN(C(=O)c3ncccc3[O-])C2)C1 ZINC000996428078 786393695 /nfs/dbraw/zinc/39/36/95/786393695.db2.gz CJADXJQPTNELCQ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(CNC(=O)CN(C)CCc2ccccc2)oc1C(=O)[O-] ZINC000910302283 786629267 /nfs/dbraw/zinc/62/92/67/786629267.db2.gz DFKWGUYNCWVLMP-UHFFFAOYSA-N -1 1 330.384 2.077 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CC(F)(F)C[C@H]3C(=O)[O-])n[nH]2)cc1 ZINC000910428570 786759563 /nfs/dbraw/zinc/75/95/63/786759563.db2.gz SONWTYCQRIPTHM-ZDUSSCGKSA-N 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Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc(C)c1F ZINC000793277259 810227763 /nfs/dbraw/zinc/22/77/63/810227763.db2.gz BWXUDAQSHFRGGL-UHFFFAOYSA-N -1 1 347.371 2.209 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000793469501 810354988 /nfs/dbraw/zinc/35/49/88/810354988.db2.gz RBJXGOSEYDPPBP-LLVKDONJSA-N -1 1 344.333 2.231 20 0 EEADMM CCc1nnc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)s1 ZINC000794142133 810686442 /nfs/dbraw/zinc/68/64/42/810686442.db2.gz XKHVDQRYTFSARZ-UHFFFAOYSA-N -1 1 341.339 2.201 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000804485536 810881775 /nfs/dbraw/zinc/88/17/75/810881775.db2.gz SLZIVJZAUQIUMK-SMDDNHRTSA-N -1 1 347.440 2.373 20 0 EEADMM C[C@H](NC(=O)COC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805603291 811363439 /nfs/dbraw/zinc/36/34/39/811363439.db2.gz KSSZLKAZZFHLGS-ZETCQYMHSA-N -1 1 343.170 2.146 20 0 EEADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000805605551 811372888 /nfs/dbraw/zinc/37/28/88/811372888.db2.gz 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577719361 /nfs/dbraw/zinc/71/93/61/577719361.db2.gz KPPUPMLEGLVKGH-TVQRCGJNSA-N -1 1 343.430 2.196 20 0 EEADMM CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc(F)ccc1[O-] ZINC000751066250 577747756 /nfs/dbraw/zinc/74/77/56/577747756.db2.gz YQMAHWJRZZCQOL-UHFFFAOYSA-N -1 1 326.331 2.384 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000751973310 577763611 /nfs/dbraw/zinc/76/36/11/577763611.db2.gz JXIAYKLLMYAIBL-ZDUSSCGKSA-N -1 1 341.363 2.299 20 0 EEADMM COC(=O)C[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000754035784 577799084 /nfs/dbraw/zinc/79/90/84/577799084.db2.gz JATYFEOUWJKYKJ-NSHDSACASA-N -1 1 342.189 2.226 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCOC(C)(C)C ZINC000757067077 577855902 /nfs/dbraw/zinc/85/59/02/577855902.db2.gz RYJMWEAZPFEMQP-UHFFFAOYSA-N -1 1 335.404 2.343 20 0 EEADMM CCOC(=O)N[C@H](CNC(=O)c1cc(F)ccc1[O-])CC(C)C ZINC000748025428 577953785 /nfs/dbraw/zinc/95/37/85/577953785.db2.gz SJLUSNVNVDZXFO-LBPRGKRZSA-N -1 1 326.368 2.422 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCO2)o1 ZINC000749207818 577972845 /nfs/dbraw/zinc/97/28/45/577972845.db2.gz QMODTSPEGQJJRB-NSHDSACASA-N -1 1 345.417 2.082 20 0 EEADMM O=C(COC(=O)c1ccc(Br)c([O-])c1)N1CCCCC1 ZINC000750551888 577995049 /nfs/dbraw/zinc/99/50/49/577995049.db2.gz NZZNPWFHYMZJLU-UHFFFAOYSA-N -1 1 342.189 2.324 20 0 EEADMM C[C@H](C(=O)NCc1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736214795 578188361 /nfs/dbraw/zinc/18/83/61/578188361.db2.gz LOXUSSFJUZQGAV-OCCSQVGLSA-N -1 1 334.391 2.017 20 0 EEADMM CC[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736327731 578196214 /nfs/dbraw/zinc/19/62/14/578196214.db2.gz UBWRXFSMRCHYSU-NSHDSACASA-N -1 1 343.391 2.035 20 0 EEADMM CC(C)C(=O)N[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736344942 578197690 /nfs/dbraw/zinc/19/76/90/578197690.db2.gz IZRBAHKPWXLWKA-OAHLLOKOSA-N -1 1 334.416 2.000 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736565243 578211714 /nfs/dbraw/zinc/21/17/14/578211714.db2.gz SWDNEJDMFFUCNJ-UHFFFAOYSA-N -1 1 347.375 2.221 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736565243 578211715 /nfs/dbraw/zinc/21/17/15/578211715.db2.gz SWDNEJDMFFUCNJ-UHFFFAOYSA-N -1 1 347.375 2.221 20 0 EEADMM CCS[C@H]1CCCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736663276 578216478 /nfs/dbraw/zinc/21/64/78/578216478.db2.gz CDQWIQZHXDQUSH-LBPRGKRZSA-N -1 1 332.433 2.010 20 0 EEADMM CCS[C@H]1CCCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736663276 578216479 /nfs/dbraw/zinc/21/64/79/578216479.db2.gz CDQWIQZHXDQUSH-LBPRGKRZSA-N -1 1 332.433 2.010 20 0 EEADMM C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H](CO)c1ccccc1 ZINC000736814171 578225218 /nfs/dbraw/zinc/22/52/18/578225218.db2.gz IVEUAYPFKQIOJZ-INIZCTEOSA-N -1 1 327.363 2.171 20 0 EEADMM C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)[C@@H](CO)c1ccccc1 ZINC000736814171 578225219 /nfs/dbraw/zinc/22/52/19/578225219.db2.gz IVEUAYPFKQIOJZ-INIZCTEOSA-N -1 1 327.363 2.171 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736878501 578228143 /nfs/dbraw/zinc/22/81/43/578228143.db2.gz MACSMPLUGWCKNF-YXJHDRRASA-N -1 1 332.444 2.167 20 0 EEADMM COc1cc(C)c([C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1OC ZINC000737040266 578234462 /nfs/dbraw/zinc/23/44/62/578234462.db2.gz MJUQPMRBUXASAF-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM COc1cc(C)c([C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1OC ZINC000737040266 578234463 /nfs/dbraw/zinc/23/44/63/578234463.db2.gz MJUQPMRBUXASAF-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM CCN1CCN(C2CCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)C1=O ZINC000737115251 578238900 /nfs/dbraw/zinc/23/89/00/578238900.db2.gz JSOXQXIWNQRBPY-GFCCVEGCSA-N -1 1 335.404 2.261 20 0 EEADMM CCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737121846 578239133 /nfs/dbraw/zinc/23/91/33/578239133.db2.gz BFBBLVKCOHTSEW-MRXNPFEDSA-N -1 1 330.359 2.491 20 0 EEADMM COc1ccc2cc(CNc3nccnc3-c3nnn[n-]3)ccc2c1 ZINC000737120428 578239478 /nfs/dbraw/zinc/23/94/78/578239478.db2.gz PDGZMIOLZMDKHI-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc2cc(CNc3nccnc3-c3nn[n-]n3)ccc2c1 ZINC000737120428 578239479 /nfs/dbraw/zinc/23/94/79/578239479.db2.gz PDGZMIOLZMDKHI-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CCO[C@H]1C[C@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C1(C)C ZINC000737158931 578241332 /nfs/dbraw/zinc/24/13/32/578241332.db2.gz UZCGMEOAFGFOGH-KBPBESRZSA-N -1 1 340.464 2.026 20 0 EEADMM CCOCCN1CCN(c2nc(Cl)c(C(=O)[O-])s2)C[C@@H]1CC ZINC000737177422 578242357 /nfs/dbraw/zinc/24/23/57/578242357.db2.gz NQJJIGOEWBNYAN-JTQLQIEISA-N -1 1 347.868 2.432 20 0 EEADMM Cc1ccc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737320044 578250226 /nfs/dbraw/zinc/25/02/26/578250226.db2.gz LYOYPDKWJNSRIV-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737320044 578250227 /nfs/dbraw/zinc/25/02/27/578250227.db2.gz LYOYPDKWJNSRIV-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000737470389 578259433 /nfs/dbraw/zinc/25/94/33/578259433.db2.gz IHYJGXJAOGRENY-QMMMGPOBSA-N -1 1 336.421 2.096 20 0 EEADMM CN1CCC[C@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737523697 578262579 /nfs/dbraw/zinc/26/25/79/578262579.db2.gz UMQHJVGPSIYKBG-ROUUACIJSA-N -1 1 340.423 2.294 20 0 EEADMM Cn1cc([C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000737604583 578266455 /nfs/dbraw/zinc/26/64/55/578266455.db2.gz HIARKEBBQKCVDO-MRVPVSSYSA-N -1 1 336.812 2.052 20 0 EEADMM Cn1cc([C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000737604583 578266456 /nfs/dbraw/zinc/26/64/56/578266456.db2.gz HIARKEBBQKCVDO-MRVPVSSYSA-N -1 1 336.812 2.052 20 0 EEADMM O=C(COc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737918797 578272894 /nfs/dbraw/zinc/27/28/94/578272894.db2.gz LPCZVGXUUMRKHQ-UHFFFAOYSA-N -1 1 345.746 2.243 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000820767039 599074661 /nfs/dbraw/zinc/07/46/61/599074661.db2.gz FNKDFDAYEXDHLF-AOOOYVTPSA-N -1 1 327.417 2.140 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000820767039 599074663 /nfs/dbraw/zinc/07/46/63/599074663.db2.gz FNKDFDAYEXDHLF-AOOOYVTPSA-N -1 1 327.417 2.140 20 0 EEADMM CN(CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000818463042 597002529 /nfs/dbraw/zinc/00/25/29/597002529.db2.gz LJCGZUBSKVYJOI-UHFFFAOYSA-N -1 1 334.372 2.073 20 0 EEADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000315194032 597313947 /nfs/dbraw/zinc/31/39/47/597313947.db2.gz KYLJDSNDPHSXPK-UHFFFAOYSA-N -1 1 327.308 2.393 20 0 EEADMM O=C([O-])c1cccc(CN[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000821551313 598192924 /nfs/dbraw/zinc/19/29/24/598192924.db2.gz CRZNCVKOTTVYNF-HNNXBMFYSA-N -1 1 328.343 2.419 20 0 EEADMM NC(=S)C(=Cc1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC000822889677 599380632 /nfs/dbraw/zinc/38/06/32/599380632.db2.gz AVWXOUSKEBZTGJ-VQHVLOKHSA-N -1 1 337.368 2.163 20 0 EEADMM NC(=S)C(=Cc1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC000822889677 599380635 /nfs/dbraw/zinc/38/06/35/599380635.db2.gz AVWXOUSKEBZTGJ-VQHVLOKHSA-N -1 1 337.368 2.163 20 0 EEADMM Cc1ccc([C@@H](O)CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822230443 599572290 /nfs/dbraw/zinc/57/22/90/599572290.db2.gz GTGHZJKVCZWWRP-HNNXBMFYSA-N -1 1 336.355 2.462 20 0 EEADMM Cc1ccc([C@@H](O)CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822230443 599572291 /nfs/dbraw/zinc/57/22/91/599572291.db2.gz GTGHZJKVCZWWRP-HNNXBMFYSA-N -1 1 336.355 2.462 20 0 EEADMM CN1CCO[C@H](CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000830963216 600749333 /nfs/dbraw/zinc/74/93/33/600749333.db2.gz AAHKNXPMPUXLCG-ZWNOBZJWSA-N -1 1 333.215 2.039 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000828899762 601100809 /nfs/dbraw/zinc/10/08/09/601100809.db2.gz AISMVEDZRXEIOS-WBVHZDCISA-N -1 1 332.444 2.263 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000827368341 601123978 /nfs/dbraw/zinc/12/39/78/601123978.db2.gz BRYPCZSFFWXCCR-ZDUSSCGKSA-N -1 1 331.416 2.188 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000827368503 601131404 /nfs/dbraw/zinc/13/14/04/601131404.db2.gz DGJOURZKKAUYSL-ZDUSSCGKSA-N -1 1 347.415 2.024 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000827385202 601337945 /nfs/dbraw/zinc/33/79/45/601337945.db2.gz ISGDHSVTDLLQTH-NSHDSACASA-N -1 1 325.409 2.003 20 0 EEADMM Cc1ccc2nc(CNC(=O)NCC3(C(=O)[O-])CCCC3)[nH]c2c1 ZINC000832958612 601419779 /nfs/dbraw/zinc/41/97/79/601419779.db2.gz CKEPDTCLZUSNMD-UHFFFAOYSA-N -1 1 330.388 2.316 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000833175446 601446561 /nfs/dbraw/zinc/44/65/61/601446561.db2.gz QWWKEYFEMIDYJP-QAPCUYQASA-N -1 1 333.359 2.078 20 0 EEADMM Cc1ccc2nc(NC(=O)CN3C[C@H](C(=O)[O-])[C@H](C)C3)sc2c1 ZINC000832960494 601530309 /nfs/dbraw/zinc/53/03/09/601530309.db2.gz QSESYSIUBCTRQR-MNOVXSKESA-N -1 1 333.413 2.196 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@]2(CCOC2)C1 ZINC000832918353 601662476 /nfs/dbraw/zinc/66/24/76/601662476.db2.gz UUEGODVYUQVVHR-SCLBCKFNSA-N -1 1 332.400 2.133 20 0 EEADMM CN1CCCN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccc(F)cc21 ZINC000826034644 607521616 /nfs/dbraw/zinc/52/16/16/607521616.db2.gz ULTAUBIYCYGXDQ-UHFFFAOYSA-N -1 1 339.378 2.247 20 0 EEADMM CN1CCCN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccc(F)cc21 ZINC000826034644 607521619 /nfs/dbraw/zinc/52/16/19/607521619.db2.gz ULTAUBIYCYGXDQ-UHFFFAOYSA-N -1 1 339.378 2.247 20 0 EEADMM COCCn1c(C)c(C)n(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000831800436 601890184 /nfs/dbraw/zinc/89/01/84/601890184.db2.gz NGHSRBUINLCGIW-HNNXBMFYSA-N -1 1 327.450 2.036 20 0 EEADMM COC(=O)c1cc(CN2CCSC[C@H]2CC(=O)[O-])c(C)s1 ZINC000831247393 601894429 /nfs/dbraw/zinc/89/44/29/601894429.db2.gz BCMOWMVBKRACLS-LLVKDONJSA-N -1 1 329.443 2.235 20 0 EEADMM CCCNC(=O)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825332748 607546808 /nfs/dbraw/zinc/54/68/08/607546808.db2.gz LJVHWBRJMSJPIQ-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM CCCNC(=O)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825332748 607546809 /nfs/dbraw/zinc/54/68/09/607546809.db2.gz LJVHWBRJMSJPIQ-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000833346311 602155632 /nfs/dbraw/zinc/15/56/32/602155632.db2.gz IAVVARLYYZXKRZ-AATRIKPKSA-N -1 1 328.346 2.393 20 0 EEADMM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000833317839 602157863 /nfs/dbraw/zinc/15/78/63/602157863.db2.gz KUKSRTSIZBOXRM-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM c1cc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc(-c2nnn[n-]2)n1 ZINC000826516386 607552699 /nfs/dbraw/zinc/55/26/99/607552699.db2.gz IVYWYZNPKLWPDD-OAHLLOKOSA-N -1 1 338.371 2.042 20 0 EEADMM c1cc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc(-c2nn[n-]n2)n1 ZINC000826516386 607552700 /nfs/dbraw/zinc/55/27/00/607552700.db2.gz IVYWYZNPKLWPDD-OAHLLOKOSA-N -1 1 338.371 2.042 20 0 EEADMM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824243458 607572715 /nfs/dbraw/zinc/57/27/15/607572715.db2.gz GRZDWTOTCSFBFZ-JTQLQIEISA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825059253 607650115 /nfs/dbraw/zinc/65/01/15/607650115.db2.gz DLJLCQQFWCXJCJ-VHSXEESVSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825059253 607650116 /nfs/dbraw/zinc/65/01/16/607650116.db2.gz DLJLCQQFWCXJCJ-VHSXEESVSA-N -1 1 341.412 2.109 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000832842072 603956041 /nfs/dbraw/zinc/95/60/41/603956041.db2.gz XNWRUZARXQMEEH-CYBMUJFWSA-N -1 1 328.372 2.278 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000824135469 603968905 /nfs/dbraw/zinc/96/89/05/603968905.db2.gz FZBUMSDFUDPVTH-KGLIPLIRSA-N -1 1 341.839 2.351 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000832846945 604278061 /nfs/dbraw/zinc/27/80/61/604278061.db2.gz ZTYHRDHYYGOFLZ-LBPRGKRZSA-N -1 1 335.429 2.424 20 0 EEADMM COc1cc2c(cc1CN[C@H](C(=O)[O-])c1cccnc1)O[C@@H](C)C2 ZINC000832103153 604777794 /nfs/dbraw/zinc/77/77/94/604777794.db2.gz MIQDFKBFHHFUCU-GTNSWQLSSA-N -1 1 328.368 2.329 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)[nH]c21 ZINC000820689342 604866274 /nfs/dbraw/zinc/86/62/74/604866274.db2.gz DLTQDGRKGXXTIJ-UHFFFAOYSA-N -1 1 339.307 2.300 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n[nH]1 ZINC000833675146 605072413 /nfs/dbraw/zinc/07/24/13/605072413.db2.gz YKWSBWDPIKUSJM-ZJUUUORDSA-N -1 1 348.428 2.423 20 0 EEADMM CN(C[C@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)C1)C(=O)OC(C)(C)C ZINC000833693078 605108277 /nfs/dbraw/zinc/10/82/77/605108277.db2.gz JTMSTLNITZBVTQ-GFCCVEGCSA-N -1 1 337.420 2.402 20 0 EEADMM CC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(OC)cc1 ZINC000833636011 605112412 /nfs/dbraw/zinc/11/24/12/605112412.db2.gz DLGFZHZXJHAJRQ-YOEHRIQHSA-N -1 1 348.443 2.196 20 0 EEADMM CN(CC(C)(CO)CO)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833691948 605131523 /nfs/dbraw/zinc/13/15/23/605131523.db2.gz IJRJGJPHMCJCQQ-GFCCVEGCSA-N -1 1 336.215 2.042 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000833721707 605216801 /nfs/dbraw/zinc/21/68/01/605216801.db2.gz FFHMGLKQQBHDEQ-NSHDSACASA-N -1 1 343.733 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)CCN1CCC(=O)[O-] ZINC000833623805 605252356 /nfs/dbraw/zinc/25/23/56/605252356.db2.gz RDSDCJXVBDZRQJ-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833478741 605289954 /nfs/dbraw/zinc/28/99/54/605289954.db2.gz VKKNEZLAFBSSJS-HZMBPMFUSA-N -1 1 328.359 2.231 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC3(CCCCC3)C2)n1 ZINC000822608293 606161336 /nfs/dbraw/zinc/16/13/36/606161336.db2.gz COIKPLXPBCHTAU-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC3(CCCCC3)C2)n1 ZINC000822608293 606161337 /nfs/dbraw/zinc/16/13/37/606161337.db2.gz COIKPLXPBCHTAU-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820641482 606279216 /nfs/dbraw/zinc/27/92/16/606279216.db2.gz CTZOCYNTQNGLLN-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820641482 606279215 /nfs/dbraw/zinc/27/92/15/606279215.db2.gz CTZOCYNTQNGLLN-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(Cl)c1 ZINC000821772964 606294047 /nfs/dbraw/zinc/29/40/47/606294047.db2.gz VWPXILAMEBPJLD-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3n[nH]cc3-c3nnn[n-]3)coc2c1C ZINC000822274773 606531811 /nfs/dbraw/zinc/53/18/11/606531811.db2.gz ISSALWVSWVFZIO-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3n[nH]cc3-c3nn[n-]n3)coc2c1C ZINC000822274773 606531813 /nfs/dbraw/zinc/53/18/13/606531813.db2.gz ISSALWVSWVFZIO-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1cn2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2n1 ZINC000822389281 606545068 /nfs/dbraw/zinc/54/50/68/606545068.db2.gz QWMBKZUXMSDBRZ-UHFFFAOYSA-N -1 1 325.357 2.137 20 0 EEADMM COCCc1nc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2o1 ZINC000821694241 606611328 /nfs/dbraw/zinc/61/13/28/606611328.db2.gz DOCHEECDDBVAJT-UHFFFAOYSA-N -1 1 340.343 2.402 20 0 EEADMM COCCc1nc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2o1 ZINC000821694241 606611329 /nfs/dbraw/zinc/61/13/29/606611329.db2.gz DOCHEECDDBVAJT-UHFFFAOYSA-N -1 1 340.343 2.402 20 0 EEADMM O=C(CCc1cc(F)ccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974508 606650632 /nfs/dbraw/zinc/65/06/32/606650632.db2.gz PUVXROILWIQOFU-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(CCc1cc(F)ccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974508 606650633 /nfs/dbraw/zinc/65/06/33/606650633.db2.gz PUVXROILWIQOFU-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM CC(C)CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC000820081413 606658013 /nfs/dbraw/zinc/65/80/13/606658013.db2.gz FKXMDGVPQUXNFL-UHFFFAOYSA-N -1 1 332.412 2.033 20 0 EEADMM CC(C)CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCC1 ZINC000820081413 606658014 /nfs/dbraw/zinc/65/80/14/606658014.db2.gz FKXMDGVPQUXNFL-UHFFFAOYSA-N -1 1 332.412 2.033 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823380207 607108735 /nfs/dbraw/zinc/10/87/35/607108735.db2.gz SLSQVPMFILWKGG-HTQZYQBOSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000823380207 607108737 /nfs/dbraw/zinc/10/87/37/607108737.db2.gz SLSQVPMFILWKGG-HTQZYQBOSA-N -1 1 348.338 2.344 20 0 EEADMM CC(C)Oc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccn1 ZINC000820145679 607141854 /nfs/dbraw/zinc/14/18/54/607141854.db2.gz DLMPCPASMGTZSG-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3ccco3)s2)n1 ZINC000822620479 607239351 /nfs/dbraw/zinc/23/93/51/607239351.db2.gz SMZVOKBLICGHDP-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3ccco3)s2)n1 ZINC000822620479 607239352 /nfs/dbraw/zinc/23/93/52/607239352.db2.gz SMZVOKBLICGHDP-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM C[C@@H](CC(=O)OCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824394587 607902701 /nfs/dbraw/zinc/90/27/01/607902701.db2.gz YFOGYLGWBFGUNK-LBPRGKRZSA-N -1 1 338.371 2.196 20 0 EEADMM C[C@@H](CC(=O)OCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824394587 607902702 /nfs/dbraw/zinc/90/27/02/607902702.db2.gz YFOGYLGWBFGUNK-LBPRGKRZSA-N -1 1 338.371 2.196 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826399926 607999607 /nfs/dbraw/zinc/99/96/07/607999607.db2.gz KHJKBPIRVOKKMD-QHHAFSJGSA-N -1 1 342.746 2.273 20 0 EEADMM Clc1ccc(NC[C@H]2COC3(CCCC3)O2)nc1-c1nnn[n-]1 ZINC000826352518 608294509 /nfs/dbraw/zinc/29/45/09/608294509.db2.gz DNPHQMNSRKCSRR-VIFPVBQESA-N -1 1 336.783 2.013 20 0 EEADMM Clc1ccc(NC[C@H]2COC3(CCCC3)O2)nc1-c1nn[n-]n1 ZINC000826352518 608294511 /nfs/dbraw/zinc/29/45/11/608294511.db2.gz DNPHQMNSRKCSRR-VIFPVBQESA-N -1 1 336.783 2.013 20 0 EEADMM c1ccc(Oc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccn2)cc1 ZINC000826522576 608399548 /nfs/dbraw/zinc/39/95/48/608399548.db2.gz HDVBPTLVEKFYJY-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccn2)cc1 ZINC000826522576 608399549 /nfs/dbraw/zinc/39/95/49/608399549.db2.gz HDVBPTLVEKFYJY-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM CC(C)COc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824270348 608402458 /nfs/dbraw/zinc/40/24/58/608402458.db2.gz CJNYLRLDLNFEEZ-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824270348 608402460 /nfs/dbraw/zinc/40/24/60/608402460.db2.gz CJNYLRLDLNFEEZ-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CO[C@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826146231 608417277 /nfs/dbraw/zinc/41/72/77/608417277.db2.gz SEVIPVWXZGTRTC-GWCFXTLKSA-N -1 1 325.376 2.037 20 0 EEADMM CO[C@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826146231 608417279 /nfs/dbraw/zinc/41/72/79/608417279.db2.gz SEVIPVWXZGTRTC-GWCFXTLKSA-N -1 1 325.376 2.037 20 0 EEADMM CCCN(CCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825313919 608418250 /nfs/dbraw/zinc/41/82/50/608418250.db2.gz UKYRPLOTDXOBDQ-UHFFFAOYSA-N -1 1 327.367 2.255 20 0 EEADMM CCCN(CCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825313919 608418251 /nfs/dbraw/zinc/41/82/51/608418251.db2.gz UKYRPLOTDXOBDQ-UHFFFAOYSA-N -1 1 327.367 2.255 20 0 EEADMM CCCOc1ccc2c(c1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC000825341365 608435542 /nfs/dbraw/zinc/43/55/42/608435542.db2.gz ATGDEFHEUJUHKC-UHFFFAOYSA-N -1 1 337.387 2.008 20 0 EEADMM CCCOc1ccc2c(c1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC000825341365 608435544 /nfs/dbraw/zinc/43/55/44/608435544.db2.gz ATGDEFHEUJUHKC-UHFFFAOYSA-N -1 1 337.387 2.008 20 0 EEADMM CC1(C)C[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824796852 609291994 /nfs/dbraw/zinc/29/19/94/609291994.db2.gz SVCMDFFQYKXZFT-SECBINFHSA-N -1 1 341.350 2.176 20 0 EEADMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866846205 674610325 /nfs/dbraw/zinc/61/03/25/674610325.db2.gz ZVDARXZNJOKVQM-NSHDSACASA-N -1 1 327.233 2.218 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cccc(Cl)n2)C1 ZINC000969547105 675095958 /nfs/dbraw/zinc/09/59/58/675095958.db2.gz YDDYXALEGVCRJH-NSHDSACASA-N -1 1 346.818 2.086 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C/C(Cl)=C\Cl)C1 ZINC000969542049 675097972 /nfs/dbraw/zinc/09/79/72/675097972.db2.gz DFZWOMSCQXRNGS-JTTRITNRSA-N -1 1 330.215 2.156 20 0 EEADMM Cc1cc(F)ccc1CN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038190695 675999147 /nfs/dbraw/zinc/99/91/47/675999147.db2.gz CTTGEJSQVGSGOW-OAHLLOKOSA-N -1 1 329.375 2.239 20 0 EEADMM Cc1ccc(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])cc1F ZINC001038193508 676070017 /nfs/dbraw/zinc/07/00/17/676070017.db2.gz KAGJJULUJOEZDQ-CQSZACIVSA-N -1 1 329.375 2.239 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1csc(C2CC2)n1)c1ncccc1[O-] ZINC001038193538 676070071 /nfs/dbraw/zinc/07/00/71/676070071.db2.gz KJCLJHLRUCKAKQ-ZDUSSCGKSA-N -1 1 344.440 2.125 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1CNC(=O)C1CCCC1 ZINC001020737216 675462234 /nfs/dbraw/zinc/46/22/34/675462234.db2.gz ZNASGVRTMZBQQE-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)cc2C)co1 ZINC000160457832 676232816 /nfs/dbraw/zinc/23/28/16/676232816.db2.gz 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/nfs/dbraw/zinc/85/42/08/1351854208.db2.gz NBYPDEMIJZYFHO-GHMZBOCLSA-N -1 1 335.433 2.084 20 0 EEADMM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609128382 1351854213 /nfs/dbraw/zinc/85/42/13/1351854213.db2.gz NBYPDEMIJZYFHO-GHMZBOCLSA-N -1 1 335.433 2.084 20 0 EEADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001609174342 1351876817 /nfs/dbraw/zinc/87/68/17/1351876817.db2.gz ZSSRQGOQMPFCJB-LLVKDONJSA-N -1 1 338.371 2.192 20 0 EEADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609245810 1351907389 /nfs/dbraw/zinc/90/73/89/1351907389.db2.gz MCUAUYLXDPNQBI-SNVBAGLBSA-N -1 1 327.344 2.349 20 0 EEADMM CCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609245810 1351907391 /nfs/dbraw/zinc/90/73/91/1351907391.db2.gz MCUAUYLXDPNQBI-SNVBAGLBSA-N -1 1 327.344 2.349 20 0 EEADMM CN1CCc2ccc(NC(=O)c3cccc(F)c3-c3nnn[n-]3)cc21 ZINC001609285719 1351921941 /nfs/dbraw/zinc/92/19/41/1351921941.db2.gz QPGVYNIWDGKHTJ-UHFFFAOYSA-N -1 1 338.346 2.250 20 0 EEADMM CN1CCc2ccc(NC(=O)c3cccc(F)c3-c3nn[n-]n3)cc21 ZINC001609285719 1351921943 /nfs/dbraw/zinc/92/19/43/1351921943.db2.gz QPGVYNIWDGKHTJ-UHFFFAOYSA-N -1 1 338.346 2.250 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313315 1351929626 /nfs/dbraw/zinc/92/96/26/1351929626.db2.gz IBIBHUDXFJYSOC-HTQZYQBOSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313315 1351929628 /nfs/dbraw/zinc/92/96/28/1351929628.db2.gz IBIBHUDXFJYSOC-HTQZYQBOSA-N -1 1 340.840 2.370 20 0 EEADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(Cl)c1 ZINC001609318448 1351930900 /nfs/dbraw/zinc/93/09/00/1351930900.db2.gz ZHELLSAZCQVTNQ-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(Cl)c1 ZINC001609318448 1351930904 /nfs/dbraw/zinc/93/09/04/1351930904.db2.gz ZHELLSAZCQVTNQ-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001609319857 1351932228 /nfs/dbraw/zinc/93/22/28/1351932228.db2.gz NIYFTVFBVQIJET-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM COC[C@@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001609319857 1351932230 /nfs/dbraw/zinc/93/22/30/1351932230.db2.gz NIYFTVFBVQIJET-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM COc1ccc([C@H](C)N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609352688 1351943298 /nfs/dbraw/zinc/94/32/98/1351943298.db2.gz MBRVWKMMTWVFCV-NSHDSACASA-N -1 1 338.371 2.104 20 0 EEADMM COc1ccc([C@H](C)N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609352688 1351943301 /nfs/dbraw/zinc/94/33/01/1351943301.db2.gz MBRVWKMMTWVFCV-NSHDSACASA-N -1 1 338.371 2.104 20 0 EEADMM COc1cccc(OCCCNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001609362500 1351947275 /nfs/dbraw/zinc/94/72/75/1351947275.db2.gz WTGOLQGHHWEIEF-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1cccc(OCCCNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001609362500 1351947276 /nfs/dbraw/zinc/94/72/76/1351947276.db2.gz WTGOLQGHHWEIEF-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCOc3c(F)cccc32)n1 ZINC001609392938 1351957928 /nfs/dbraw/zinc/95/79/28/1351957928.db2.gz OIEVRKHOWRTPEB-NSHDSACASA-N -1 1 327.323 2.040 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCOc3c(F)cccc32)n1 ZINC001609392938 1351957933 /nfs/dbraw/zinc/95/79/33/1351957933.db2.gz OIEVRKHOWRTPEB-NSHDSACASA-N -1 1 327.323 2.040 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](F)(c3ccccc3C)C2)n1 ZINC001609391856 1351957960 /nfs/dbraw/zinc/95/79/60/1351957960.db2.gz XXGRVGQSVRPXPA-KRWDZBQOSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](F)(c3ccccc3C)C2)n1 ZINC001609391856 1351957961 /nfs/dbraw/zinc/95/79/61/1351957961.db2.gz XXGRVGQSVRPXPA-KRWDZBQOSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)nc1-c1nnn[n-]1 ZINC001609426023 1351972389 /nfs/dbraw/zinc/97/23/89/1351972389.db2.gz AMQKEYLQNCHGQN-GBIKHYSHSA-N -1 1 334.474 2.362 20 0 EEADMM Cc1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)nc1-c1nn[n-]n1 ZINC001609426023 1351972391 /nfs/dbraw/zinc/97/23/91/1351972391.db2.gz AMQKEYLQNCHGQN-GBIKHYSHSA-N -1 1 334.474 2.362 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609422472 1351970292 /nfs/dbraw/zinc/97/02/92/1351970292.db2.gz XXRGNSCZKVDERL-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609422472 1351970298 /nfs/dbraw/zinc/97/02/98/1351970298.db2.gz XXRGNSCZKVDERL-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609458150 1351985692 /nfs/dbraw/zinc/98/56/92/1351985692.db2.gz WAIPFGCCRNDFSL-JTQLQIEISA-N -1 1 326.408 2.117 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609458150 1351985695 /nfs/dbraw/zinc/98/56/95/1351985695.db2.gz WAIPFGCCRNDFSL-JTQLQIEISA-N -1 1 326.408 2.117 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H](C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC001609465957 1351988133 /nfs/dbraw/zinc/98/81/33/1351988133.db2.gz XKSHQCPMWCIWIW-YFKPBYRVSA-N -1 1 349.342 2.342 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H](C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC001609465957 1351988137 /nfs/dbraw/zinc/98/81/37/1351988137.db2.gz XKSHQCPMWCIWIW-YFKPBYRVSA-N -1 1 349.342 2.342 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC001609467569 1351988396 /nfs/dbraw/zinc/98/83/96/1351988396.db2.gz LPEVNERCAWJGHH-GFCCVEGCSA-N -1 1 337.383 2.303 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC001609467569 1351988397 /nfs/dbraw/zinc/98/83/97/1351988397.db2.gz LPEVNERCAWJGHH-GFCCVEGCSA-N -1 1 337.383 2.303 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(C2CCCCC2)cc1 ZINC001609510574 1352001629 /nfs/dbraw/zinc/00/16/29/1352001629.db2.gz SVHQNVGAACPLIG-UHFFFAOYSA-N -1 1 337.387 2.382 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609545471 1352011530 /nfs/dbraw/zinc/01/15/30/1352011530.db2.gz DCKFWNXAHUYYSJ-MNOVXSKESA-N -1 1 346.822 2.471 20 0 EEADMM O=C(Nc1ccc(F)cc1NC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609565231 1352018492 /nfs/dbraw/zinc/01/84/92/1352018492.db2.gz RQYOITYBYPVVID-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(Nc1ccc(F)cc1NC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609565231 1352018497 /nfs/dbraw/zinc/01/84/97/1352018497.db2.gz RQYOITYBYPVVID-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001609611952 1352037576 /nfs/dbraw/zinc/03/75/76/1352037576.db2.gz XIOLJEHJRSNRRA-SECBINFHSA-N -1 1 328.763 2.200 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001609611952 1352037579 /nfs/dbraw/zinc/03/75/79/1352037579.db2.gz XIOLJEHJRSNRRA-SECBINFHSA-N -1 1 328.763 2.200 20 0 EEADMM CC(C)(NC[C@H](O)Cc1cccc(Cl)c1)c1nocc1C(=O)[O-] ZINC001609680266 1352057258 /nfs/dbraw/zinc/05/72/58/1352057258.db2.gz DDZMMZOKNCNQAN-GFCCVEGCSA-N -1 1 338.791 2.455 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])s2)n[nH]1 ZINC001609721296 1352068154 /nfs/dbraw/zinc/06/81/54/1352068154.db2.gz DSPGVQUFLMMFFR-MRVPVSSYSA-N -1 1 337.405 2.248 20 0 EEADMM C[C@@]1(C(N)=O)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001609812347 1352092106 /nfs/dbraw/zinc/09/21/06/1352092106.db2.gz DKPILXAKZFCHOE-QGZVFWFLSA-N -1 1 345.424 2.206 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC001609869480 1352107591 /nfs/dbraw/zinc/10/75/91/1352107591.db2.gz FIPRYGNHDSNFQM-SECBINFHSA-N -1 1 346.214 2.009 20 0 EEADMM CCCC1(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CCC1 ZINC001609958169 1352129930 /nfs/dbraw/zinc/12/99/30/1352129930.db2.gz VVBRHGYKRLZJBG-AWEZNQCLSA-N -1 1 325.453 2.147 20 0 EEADMM CCN1CCc2ccc(NC(=O)c3c(C)[nH]c(=O)[n-]c3=S)cc21 ZINC001351143131 1337790152 /nfs/dbraw/zinc/79/01/52/1337790152.db2.gz YVPVIBJKWALVNO-UHFFFAOYSA-N -1 1 330.413 2.414 20 0 EEADMM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001351898022 1337863748 /nfs/dbraw/zinc/86/37/48/1337863748.db2.gz JRUBJCJDIMFFGJ-WBVHZDCISA-N -1 1 336.407 2.265 20 0 EEADMM O=C(c1cc(Cl)cc2cccnc21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352595848 1337992650 /nfs/dbraw/zinc/99/26/50/1337992650.db2.gz GOVHUVZAGCAEQD-JTQLQIEISA-N -1 1 328.763 2.031 20 0 EEADMM COCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC001610257693 1352195451 /nfs/dbraw/zinc/19/54/51/1352195451.db2.gz VMSAJYMOQGWZLQ-CZUORRHYSA-N -1 1 334.416 2.460 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2cccc(-n3nccn3)c2)ccc1F ZINC001200550991 1338412761 /nfs/dbraw/zinc/41/27/61/1338412761.db2.gz IRYPVVBMQKDTQI-UHFFFAOYSA-N -1 1 348.359 2.216 20 0 EEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)C(C)(C)C(=O)[O-] ZINC001610397656 1352216509 /nfs/dbraw/zinc/21/65/09/1352216509.db2.gz VCFKYGYDOKGXEI-UHFFFAOYSA-N -1 1 330.340 2.222 20 0 EEADMM Cc1cc(CN2CCC[C@@H]2C(=O)NC2CC2)cc(C)c1OCC(=O)[O-] ZINC001610461692 1352226795 /nfs/dbraw/zinc/22/67/95/1352226795.db2.gz NJFITBMJJRCIDH-MRXNPFEDSA-N -1 1 346.427 2.010 20 0 EEADMM O=C([O-])[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)C1CC1 ZINC001610719477 1352264678 /nfs/dbraw/zinc/26/46/78/1352264678.db2.gz YQGFEYNQLYJCCN-QGZVFWFLSA-N -1 1 328.368 2.266 20 0 EEADMM O=C([O-])c1ccc(Br)cc1CN1CCC[C@H](O)CC1 ZINC001610820352 1352280201 /nfs/dbraw/zinc/28/02/01/1352280201.db2.gz YFOKQGNBINNVFO-LBPRGKRZSA-N -1 1 328.206 2.494 20 0 EEADMM O=C([O-])c1ccccc1CCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001610851543 1352285739 /nfs/dbraw/zinc/28/57/39/1352285739.db2.gz ATJPUCHXBCXZGW-QGZVFWFLSA-N -1 1 342.395 2.301 20 0 EEADMM Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])cc1F ZINC001429087832 1339792102 /nfs/dbraw/zinc/79/21/02/1339792102.db2.gz WFMYTLVBUVLICF-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CCCC(CCC)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429471771 1339918600 /nfs/dbraw/zinc/91/86/00/1339918600.db2.gz GECMDQWBLUGVKZ-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCC1(C)C ZINC001430577984 1340260526 /nfs/dbraw/zinc/26/05/26/1340260526.db2.gz JAEQYGVYVZXMSU-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)CC(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001432635918 1341348300 /nfs/dbraw/zinc/34/83/00/1341348300.db2.gz FGYCYTPMKIVGAM-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@@H](CC)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433088684 1341495075 /nfs/dbraw/zinc/49/50/75/1341495075.db2.gz IFQHVRCIYGDYIM-ZIAGYGMSSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])cc1C ZINC001433168008 1341522096 /nfs/dbraw/zinc/52/20/96/1341522096.db2.gz YSFPVZSENZNEDD-UHFFFAOYSA-N -1 1 341.411 2.248 20 0 EEADMM CC(C)C1(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001433227504 1341544141 /nfs/dbraw/zinc/54/41/41/1341544141.db2.gz XCIJOVQZJNSYEX-ZIAGYGMSSA-N -1 1 345.443 2.238 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c(=O)[n-]1 ZINC001433841355 1341704629 /nfs/dbraw/zinc/70/46/29/1341704629.db2.gz BZEOJSXXVUSCOC-LBPRGKRZSA-N -1 1 347.444 2.489 20 0 EEADMM CN1Cc2cc(NC(=O)c3cnc(C4CC4)[n-]c3=O)ccc2NC1=O ZINC001433920989 1341722152 /nfs/dbraw/zinc/72/21/52/1341722152.db2.gz CJYCUFWGDAKJGO-UHFFFAOYSA-N -1 1 339.355 2.289 20 0 EEADMM CCn1ccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC001563130541 1342541458 /nfs/dbraw/zinc/54/14/58/1342541458.db2.gz GPGBBKVNJQXVIC-UHFFFAOYSA-N -1 1 326.360 2.116 20 0 EEADMM CC1(CC(F)F)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575763659 1343874580 /nfs/dbraw/zinc/87/45/80/1343874580.db2.gz SGVZSOZBEDXKLK-UHFFFAOYSA-N -1 1 342.375 2.115 20 0 EEADMM CCc1nc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)sc1C ZINC001578620452 1344292385 /nfs/dbraw/zinc/29/23/85/1344292385.db2.gz JZSWBTYZBOCSKL-UHFFFAOYSA-N -1 1 349.807 2.495 20 0 EEADMM COc1cccc2c1CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001580072715 1344465197 /nfs/dbraw/zinc/46/51/97/1344465197.db2.gz BQORZFFSZYTIED-UHFFFAOYSA-N -1 1 339.330 2.170 20 0 EEADMM COc1cccc2c1CN(C(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001580072715 1344465199 /nfs/dbraw/zinc/46/51/99/1344465199.db2.gz BQORZFFSZYTIED-UHFFFAOYSA-N -1 1 339.330 2.170 20 0 EEADMM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cnn1-c1ccccc1 ZINC001580548281 1344533753 /nfs/dbraw/zinc/53/37/53/1344533753.db2.gz LJQNODGAZYESPF-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC001580548281 1344533756 /nfs/dbraw/zinc/53/37/56/1344533756.db2.gz LJQNODGAZYESPF-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1-n1cccn1 ZINC001580887419 1344569154 /nfs/dbraw/zinc/56/91/54/1344569154.db2.gz ZJMBTYPSBLHJON-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1-n1cccn1 ZINC001580887419 1344569156 /nfs/dbraw/zinc/56/91/56/1344569156.db2.gz ZJMBTYPSBLHJON-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(Cl)c2F)nn1C ZINC001581174458 1344595081 /nfs/dbraw/zinc/59/50/81/1344595081.db2.gz PUTVDQUIWKVYSN-UHFFFAOYSA-N -1 1 349.757 2.262 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(Cl)c2F)nn1C ZINC001581174458 1344595085 /nfs/dbraw/zinc/59/50/85/1344595085.db2.gz PUTVDQUIWKVYSN-UHFFFAOYSA-N -1 1 349.757 2.262 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@H](C)NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581686974 1344654128 /nfs/dbraw/zinc/65/41/28/1344654128.db2.gz XMJTUFBTRZPGPV-IUCAKERBSA-N -1 1 349.464 2.127 20 0 EEADMM Cc1nsc(NCCCNC(=O)/C=C\C(C)(C)C)c1-c1nn[n-]n1 ZINC001581715789 1344658101 /nfs/dbraw/zinc/65/81/01/1344658101.db2.gz VLYOBQIARQHVOF-SREVYHEPSA-N -1 1 349.464 2.152 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(O)ccc1Cl ZINC001582549760 1344760542 /nfs/dbraw/zinc/76/05/42/1344760542.db2.gz IVZFMGFTBPOPAO-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccc2c(n1)CCC2 ZINC001582549518 1344760961 /nfs/dbraw/zinc/76/09/61/1344760961.db2.gz DAQJKGWFUCRHDO-UHFFFAOYSA-N -1 1 341.400 2.134 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOc2cc(F)ccc21 ZINC001582744820 1344788307 /nfs/dbraw/zinc/78/83/07/1344788307.db2.gz IZQFTDGIRARRLI-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccc(F)cc1 ZINC001582813858 1344795605 /nfs/dbraw/zinc/79/56/05/1344795605.db2.gz ZULKZXXXNBOBAV-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001582817052 1344796345 /nfs/dbraw/zinc/79/63/45/1344796345.db2.gz YGCHZEKNUNSMHG-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM Nc1ncnc2cc(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)ccc12 ZINC001586211307 1348847717 /nfs/dbraw/zinc/84/77/17/1348847717.db2.gz NPFNYNABEFGHHL-UHFFFAOYSA-N -1 1 346.350 2.356 20 0 EEADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588770323 1348932956 /nfs/dbraw/zinc/93/29/56/1348932956.db2.gz JTKJCGWQRUVERQ-QBFSEMIESA-N -1 1 334.383 2.437 20 0 EEADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588770323 1348932958 /nfs/dbraw/zinc/93/29/58/1348932958.db2.gz JTKJCGWQRUVERQ-QBFSEMIESA-N -1 1 334.383 2.437 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001588771320 1348934617 /nfs/dbraw/zinc/93/46/17/1348934617.db2.gz UOPOQJLSFDMZBV-LUAWRHEFSA-N -1 1 338.346 2.467 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001588771320 1348934619 /nfs/dbraw/zinc/93/46/19/1348934619.db2.gz UOPOQJLSFDMZBV-LUAWRHEFSA-N -1 1 338.346 2.467 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589133662 1348963507 /nfs/dbraw/zinc/96/35/07/1348963507.db2.gz AEBLEOYMFQBLPI-UHFFFAOYSA-N -1 1 326.360 2.296 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589133662 1348963510 /nfs/dbraw/zinc/96/35/10/1348963510.db2.gz AEBLEOYMFQBLPI-UHFFFAOYSA-N -1 1 326.360 2.296 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001589193472 1348969083 /nfs/dbraw/zinc/96/90/83/1348969083.db2.gz WDERDWJRHLGQED-NWDGAFQWSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001589193472 1348969086 /nfs/dbraw/zinc/96/90/86/1348969086.db2.gz WDERDWJRHLGQED-NWDGAFQWSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589208969 1348970651 /nfs/dbraw/zinc/97/06/51/1348970651.db2.gz LDXBQCROSCPKTH-HSZRJFAPSA-N -1 1 343.359 2.181 20 0 EEADMM CC(C)(C)[S@@](C)(=O)=NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589208969 1348970653 /nfs/dbraw/zinc/97/06/53/1348970653.db2.gz LDXBQCROSCPKTH-HSZRJFAPSA-N -1 1 343.359 2.181 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC001589258542 1348975713 /nfs/dbraw/zinc/97/57/13/1348975713.db2.gz FFUGNEKEGVJDHZ-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC001589487559 1348994653 /nfs/dbraw/zinc/99/46/53/1348994653.db2.gz DRKWETIYJXHGFZ-CQSZACIVSA-N -1 1 346.460 2.437 20 0 EEADMM CC(C)[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC001589487559 1348994657 /nfs/dbraw/zinc/99/46/57/1348994657.db2.gz DRKWETIYJXHGFZ-CQSZACIVSA-N -1 1 346.460 2.437 20 0 EEADMM CC(C)CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589613659 1349010352 /nfs/dbraw/zinc/01/03/52/1349010352.db2.gz BKVNASXMXYMWFE-UHFFFAOYSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)CNc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cs1 ZINC001589635816 1349013684 /nfs/dbraw/zinc/01/36/84/1349013684.db2.gz JBYCXGQADMNXBY-UHFFFAOYSA-N -1 1 348.388 2.341 20 0 EEADMM CC(C)CNc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cs1 ZINC001589635816 1349013685 /nfs/dbraw/zinc/01/36/85/1349013685.db2.gz JBYCXGQADMNXBY-UHFFFAOYSA-N -1 1 348.388 2.341 20 0 EEADMM CC(C)Oc1ncccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589759827 1349032932 /nfs/dbraw/zinc/03/29/32/1349032932.db2.gz XQJIUOWBNGYAJB-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001590051203 1349130741 /nfs/dbraw/zinc/13/07/41/1349130741.db2.gz SAELBWVMRFUZRL-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001590051203 1349130748 /nfs/dbraw/zinc/13/07/48/1349130748.db2.gz SAELBWVMRFUZRL-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C)[C@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(F)F ZINC001590076905 1349139451 /nfs/dbraw/zinc/13/94/51/1349139451.db2.gz NHCUMYSWCLQTGB-VIFPVBQESA-N -1 1 325.294 2.027 20 0 EEADMM CC1(C)[C@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(F)F ZINC001590076905 1349139459 /nfs/dbraw/zinc/13/94/59/1349139459.db2.gz NHCUMYSWCLQTGB-VIFPVBQESA-N -1 1 325.294 2.027 20 0 EEADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590122048 1349164750 /nfs/dbraw/zinc/16/47/50/1349164750.db2.gz LWFCGMYJIWXBDA-KRWDZBQOSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590122048 1349164752 /nfs/dbraw/zinc/16/47/52/1349164752.db2.gz LWFCGMYJIWXBDA-KRWDZBQOSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590164583 1349182543 /nfs/dbraw/zinc/18/25/43/1349182543.db2.gz GEEOOIUYSYPMMC-POYBYMJQSA-N -1 1 331.323 2.341 20 0 EEADMM C[C@H]1CC2(CC(Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CO1 ZINC001590220790 1349206966 /nfs/dbraw/zinc/20/69/66/1349206966.db2.gz ALYWXDXXHQODQX-IUWAKFPWSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@H]1CC2(CC(Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CO1 ZINC001590220790 1349206972 /nfs/dbraw/zinc/20/69/72/1349206972.db2.gz ALYWXDXXHQODQX-IUWAKFPWSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001590231334 1349216390 /nfs/dbraw/zinc/21/63/90/1349216390.db2.gz XFEIXVCLVSYFPM-QWRGUYRKSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3coc(-c4nnn[n-]4)c3)sc2C1 ZINC001590279559 1349244386 /nfs/dbraw/zinc/24/43/86/1349244386.db2.gz FJCHUGSLSRNCRZ-SSDOTTSWSA-N -1 1 330.373 2.293 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3coc(-c4nn[n-]n4)c3)sc2C1 ZINC001590279559 1349244396 /nfs/dbraw/zinc/24/43/96/1349244396.db2.gz FJCHUGSLSRNCRZ-SSDOTTSWSA-N -1 1 330.373 2.293 20 0 EEADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC001590300942 1349251261 /nfs/dbraw/zinc/25/12/61/1349251261.db2.gz LZFQQJMEDUYHQK-QMMMGPOBSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001590313107 1349259267 /nfs/dbraw/zinc/25/92/67/1349259267.db2.gz BTBLDZNFOGDIFA-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001590313107 1349259273 /nfs/dbraw/zinc/25/92/73/1349259273.db2.gz BTBLDZNFOGDIFA-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590339606 1349274547 /nfs/dbraw/zinc/27/45/47/1349274547.db2.gz WRCFLBWYRSPIBV-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590339606 1349274553 /nfs/dbraw/zinc/27/45/53/1349274553.db2.gz WRCFLBWYRSPIBV-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM CC[C@@](C)(NC(=O)c1coc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC001590382433 1349294476 /nfs/dbraw/zinc/29/44/76/1349294476.db2.gz NTEXRLRSSJZDGV-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@@](C)(NC(=O)c1coc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC001590382433 1349294481 /nfs/dbraw/zinc/29/44/81/1349294481.db2.gz NTEXRLRSSJZDGV-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC/C(C)=C\C(=O)NC[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590393588 1349302004 /nfs/dbraw/zinc/30/20/04/1349302004.db2.gz PCOYBWCADQLKSB-ABRRARGCSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590400449 1349302531 /nfs/dbraw/zinc/30/25/31/1349302531.db2.gz QKNRYDGGMDEADO-GMSGAONNSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590400449 1349302535 /nfs/dbraw/zinc/30/25/35/1349302535.db2.gz QKNRYDGGMDEADO-GMSGAONNSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001590401355 1349304802 /nfs/dbraw/zinc/30/48/02/1349304802.db2.gz YMYPPOJPVOVZPC-OIBJUYFYSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001590401355 1349304808 /nfs/dbraw/zinc/30/48/08/1349304808.db2.gz YMYPPOJPVOVZPC-OIBJUYFYSA-N -1 1 343.313 2.360 20 0 EEADMM CCC(CC)n1nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1C ZINC001590436221 1349324103 /nfs/dbraw/zinc/32/41/03/1349324103.db2.gz JJNBGKWTNWVVKN-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CCC(CC)n1nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1C ZINC001590436221 1349324109 /nfs/dbraw/zinc/32/41/09/1349324109.db2.gz JJNBGKWTNWVVKN-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CC[C@@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001590448340 1349329979 /nfs/dbraw/zinc/32/99/79/1349329979.db2.gz LSKXZKNARMFHEI-ZETCQYMHSA-N -1 1 333.339 2.452 20 0 EEADMM CC[C@@H]1C[C@H](CC(=O)Nc2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001590503849 1349357664 /nfs/dbraw/zinc/35/76/64/1349357664.db2.gz SOTYKZLQURXLLD-NXEZZACHSA-N -1 1 336.421 2.165 20 0 EEADMM CC[C@@H]1C[C@H](CC(=O)Nc2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590503849 1349357671 /nfs/dbraw/zinc/35/76/71/1349357671.db2.gz SOTYKZLQURXLLD-NXEZZACHSA-N -1 1 336.421 2.165 20 0 EEADMM CCCCc1nc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)no1 ZINC001590614093 1349377530 /nfs/dbraw/zinc/37/75/30/1349377530.db2.gz DSNBGXWATOWONR-UHFFFAOYSA-N -1 1 346.420 2.291 20 0 EEADMM CCCCn1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1CC ZINC001590616989 1349377625 /nfs/dbraw/zinc/37/76/25/1349377625.db2.gz KZIBNNQEXSYWDU-UHFFFAOYSA-N -1 1 344.375 2.376 20 0 EEADMM CCCCn1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1CC ZINC001590616989 1349377628 /nfs/dbraw/zinc/37/76/28/1349377628.db2.gz KZIBNNQEXSYWDU-UHFFFAOYSA-N -1 1 344.375 2.376 20 0 EEADMM CCCn1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001590664028 1349385132 /nfs/dbraw/zinc/38/51/32/1349385132.db2.gz KFPFAJCXZLQWKK-UHFFFAOYSA-N -1 1 346.341 2.286 20 0 EEADMM CCCn1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001590664028 1349385138 /nfs/dbraw/zinc/38/51/38/1349385138.db2.gz KFPFAJCXZLQWKK-UHFFFAOYSA-N -1 1 346.341 2.286 20 0 EEADMM CCc1nc(N[C@@H](CO)c2ccc(Cl)cc2)cc(-c2nnn[n-]2)n1 ZINC001590922905 1349414957 /nfs/dbraw/zinc/41/49/57/1349414957.db2.gz XLYVCBRSCYOHNE-LBPRGKRZSA-N -1 1 345.794 2.018 20 0 EEADMM CCc1nc(N[C@@H](CO)c2ccc(Cl)cc2)cc(-c2nn[n-]n2)n1 ZINC001590922905 1349414958 /nfs/dbraw/zinc/41/49/58/1349414958.db2.gz XLYVCBRSCYOHNE-LBPRGKRZSA-N -1 1 345.794 2.018 20 0 EEADMM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001591289112 1349455547 /nfs/dbraw/zinc/45/55/47/1349455547.db2.gz ORBXODVHCVPTGO-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM CO[C@H](C)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591323851 1349461937 /nfs/dbraw/zinc/46/19/37/1349461937.db2.gz FPQIVHWIWMKHRQ-LLVKDONJSA-N -1 1 338.371 2.150 20 0 EEADMM CO[C@H](C)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001591323851 1349461942 /nfs/dbraw/zinc/46/19/42/1349461942.db2.gz FPQIVHWIWMKHRQ-LLVKDONJSA-N -1 1 338.371 2.150 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591336404 1349464243 /nfs/dbraw/zinc/46/42/43/1349464243.db2.gz QEZFKZRIUOWJAF-ZBEGNZNMSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591336404 1349464248 /nfs/dbraw/zinc/46/42/48/1349464248.db2.gz QEZFKZRIUOWJAF-ZBEGNZNMSA-N -1 1 342.378 2.319 20 0 EEADMM COCC1(C)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001591385404 1349477360 /nfs/dbraw/zinc/47/73/60/1349477360.db2.gz AWZNZZRRGANJFW-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1C ZINC001591621116 1349516322 /nfs/dbraw/zinc/51/63/22/1349516322.db2.gz CEFWQBVCQUUMBO-LLVKDONJSA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1C ZINC001591621116 1349516327 /nfs/dbraw/zinc/51/63/27/1349516327.db2.gz CEFWQBVCQUUMBO-LLVKDONJSA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccc(O[C@H](C)CNc2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001591619788 1349517544 /nfs/dbraw/zinc/51/75/44/1349517544.db2.gz WFLJWHBYJXENPW-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc(O[C@H](C)CNc2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001591619788 1349517549 /nfs/dbraw/zinc/51/75/49/1349517549.db2.gz WFLJWHBYJXENPW-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc2c1OCC[C@@H]2OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591643189 1349519950 /nfs/dbraw/zinc/51/99/50/1349519950.db2.gz CFPJMNLJDLVWFY-NSHDSACASA-N -1 1 342.311 2.149 20 0 EEADMM COc1cccc2c1OCC[C@@H]2OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591643189 1349519959 /nfs/dbraw/zinc/51/99/59/1349519959.db2.gz CFPJMNLJDLVWFY-NSHDSACASA-N -1 1 342.311 2.149 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2nc(-c3nn[n-]n3)ccc2C)c(C)o1 ZINC001591938950 1349564690 /nfs/dbraw/zinc/56/46/90/1349564690.db2.gz CZUWKWYRIZEFLX-INIZCTEOSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591992346 1349578300 /nfs/dbraw/zinc/57/83/00/1349578300.db2.gz LDBHUYJGFXJPCE-UHFFFAOYSA-N -1 1 331.376 2.348 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n(-c2ccccc2)n1 ZINC001592031864 1349585804 /nfs/dbraw/zinc/58/58/04/1349585804.db2.gz RCMSMMNUHBIBIT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n(-c2ccccc2)n1 ZINC001592031864 1349585809 /nfs/dbraw/zinc/58/58/09/1349585809.db2.gz RCMSMMNUHBIBIT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1ccc2c(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)csc2c1 ZINC001592200596 1349606594 /nfs/dbraw/zinc/60/65/94/1349606594.db2.gz XXOLBTRPIXUAMC-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1ccc2c(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)csc2c1 ZINC001592200596 1349606597 /nfs/dbraw/zinc/60/65/97/1349606597.db2.gz XXOLBTRPIXUAMC-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nc(NCc2cccc(-c3cnco3)c2)cc(-c2nnn[n-]2)n1 ZINC001592395771 1349627112 /nfs/dbraw/zinc/62/71/12/1349627112.db2.gz OOQNFZVSQHWYRR-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1nc(NCc2cccc(-c3cnco3)c2)cc(-c2nn[n-]n2)n1 ZINC001592395771 1349627115 /nfs/dbraw/zinc/62/71/15/1349627115.db2.gz OOQNFZVSQHWYRR-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592427817 1349629155 /nfs/dbraw/zinc/62/91/55/1349629155.db2.gz UJMXKMBMHYPCII-UHFFFAOYSA-N -1 1 338.274 2.025 20 0 EEADMM Cc1noc(C)c1[C@@H](C)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001592468121 1349634805 /nfs/dbraw/zinc/63/48/05/1349634805.db2.gz BSNBOONXEKUEPK-ZCFIWIBFSA-N -1 1 347.404 2.003 20 0 EEADMM Cc1noc(C)c1[C@@H](C)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592468121 1349634806 /nfs/dbraw/zinc/63/48/06/1349634806.db2.gz BSNBOONXEKUEPK-ZCFIWIBFSA-N -1 1 347.404 2.003 20 0 EEADMM Cc1oc(NC(=O)COC(=O)C2CCCCC2)c(-c2nn[n-]n2)c1C ZINC001592511073 1349643625 /nfs/dbraw/zinc/64/36/25/1349643625.db2.gz JVNFRVDGNYOXFO-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Clc1nc(Oc2cccc(-n3cncn3)c2)sc1-c1nnn[n-]1 ZINC001592539279 1349651815 /nfs/dbraw/zinc/65/18/15/1349651815.db2.gz SJQXVKXJXSRLQS-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nc(Oc2cccc(-n3cncn3)c2)sc1-c1nn[n-]n1 ZINC001592539279 1349651827 /nfs/dbraw/zinc/65/18/27/1349651827.db2.gz SJQXVKXJXSRLQS-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nsc(N2CCC(n3cccn3)CC2)c1-c1nnn[n-]1 ZINC001592537524 1349652269 /nfs/dbraw/zinc/65/22/69/1349652269.db2.gz IQLJPRZNIQNWCD-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM Clc1nsc(N2CCC(n3cccn3)CC2)c1-c1nn[n-]n1 ZINC001592537524 1349652270 /nfs/dbraw/zinc/65/22/70/1349652270.db2.gz IQLJPRZNIQNWCD-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC12CCC2 ZINC001592614818 1349672678 /nfs/dbraw/zinc/67/26/78/1349672678.db2.gz ANOMEKAXEHEOGE-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC12CCC2 ZINC001592614818 1349672681 /nfs/dbraw/zinc/67/26/81/1349672681.db2.gz ANOMEKAXEHEOGE-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM Fc1cc(F)cc(Cc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001592641916 1349689004 /nfs/dbraw/zinc/68/90/04/1349689004.db2.gz CZKVSTSYOAYRQP-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1cc(F)cc(Cc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001592641916 1349689007 /nfs/dbraw/zinc/68/90/07/1349689007.db2.gz CZKVSTSYOAYRQP-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001592659227 1349702516 /nfs/dbraw/zinc/70/25/16/1349702516.db2.gz YIHXYJGAXKPNIE-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001592659227 1349702524 /nfs/dbraw/zinc/70/25/24/1349702524.db2.gz YIHXYJGAXKPNIE-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(NCCC[C@@H]1C=CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593066762 1349736134 /nfs/dbraw/zinc/73/61/34/1349736134.db2.gz LLDZRPHOACGNER-LLVKDONJSA-N -1 1 332.433 2.474 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-c2c[nH]cn2)cc1 ZINC001593203092 1349745543 /nfs/dbraw/zinc/74/55/43/1349745543.db2.gz WHJPWTQJPALZOZ-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc2occc2s1 ZINC001593301101 1349772904 /nfs/dbraw/zinc/77/29/04/1349772904.db2.gz BDTHMWFBZBXZPU-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc2occc2s1 ZINC001593301101 1349772906 /nfs/dbraw/zinc/77/29/06/1349772906.db2.gz BDTHMWFBZBXZPU-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)Cc1ccccc1 ZINC001593301456 1349774581 /nfs/dbraw/zinc/77/45/81/1349774581.db2.gz IONZBZRTJOZGIV-UHFFFAOYSA-N -1 1 345.309 2.183 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)Cc1ccccc1 ZINC001593301456 1349774584 /nfs/dbraw/zinc/77/45/84/1349774584.db2.gz IONZBZRTJOZGIV-UHFFFAOYSA-N -1 1 345.309 2.183 20 0 EEADMM O=C(Oc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593308182 1349776489 /nfs/dbraw/zinc/77/64/89/1349776489.db2.gz VEHSBVVPEDNAJD-UHFFFAOYSA-N -1 1 325.328 2.279 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1COCC[C@@H]1c1ccccc1 ZINC001593339814 1349784314 /nfs/dbraw/zinc/78/43/14/1349784314.db2.gz YYBWLGQWUBMKNQ-GFCCVEGCSA-N -1 1 325.328 2.021 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1COCC[C@@H]1c1ccccc1 ZINC001593339814 1349784318 /nfs/dbraw/zinc/78/43/18/1349784318.db2.gz YYBWLGQWUBMKNQ-GFCCVEGCSA-N -1 1 325.328 2.021 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCN(C2CC2)c2ccccc21 ZINC001593339437 1349784622 /nfs/dbraw/zinc/78/46/22/1349784622.db2.gz RGYKVPGNSZWFPK-UHFFFAOYSA-N -1 1 336.355 2.089 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(c2ccccc2F)C1 ZINC001593350876 1349789070 /nfs/dbraw/zinc/78/90/70/1349789070.db2.gz UEMFTRSVVOLTDN-UHFFFAOYSA-N -1 1 341.321 2.385 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(c2ccccc2F)C1 ZINC001593350876 1349789076 /nfs/dbraw/zinc/78/90/76/1349789076.db2.gz UEMFTRSVVOLTDN-UHFFFAOYSA-N -1 1 341.321 2.385 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001593367442 1349791718 /nfs/dbraw/zinc/79/17/18/1349791718.db2.gz KPGZNCBNNWJDRN-ZDUSSCGKSA-N -1 1 345.403 2.129 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001593367442 1349791723 /nfs/dbraw/zinc/79/17/23/1349791723.db2.gz KPGZNCBNNWJDRN-ZDUSSCGKSA-N -1 1 345.403 2.129 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(F)c(Cl)c1)CCC2 ZINC001593490917 1349817108 /nfs/dbraw/zinc/81/71/08/1349817108.db2.gz SFICMLIXUDWJNO-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM OC[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001593532597 1349834082 /nfs/dbraw/zinc/83/40/82/1349834082.db2.gz BGHHSEXDLUUGAO-KYZUINATSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001593532597 1349834089 /nfs/dbraw/zinc/83/40/89/1349834089.db2.gz BGHHSEXDLUUGAO-KYZUINATSA-N -1 1 342.325 2.244 20 0 EEADMM c1cc(-c2nc(C3(c4ccncc4)CCC3)no2)oc1-c1nnn[n-]1 ZINC001593552394 1349845133 /nfs/dbraw/zinc/84/51/33/1349845133.db2.gz WCCNKYCUNUCBER-UHFFFAOYSA-N -1 1 335.327 2.375 20 0 EEADMM c1cc(-c2nc(C3(c4ccncc4)CCC3)no2)oc1-c1nn[n-]n1 ZINC001593552394 1349845137 /nfs/dbraw/zinc/84/51/37/1349845137.db2.gz WCCNKYCUNUCBER-UHFFFAOYSA-N -1 1 335.327 2.375 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC(C(=O)N(C)C(C)C)CC2)n1C ZINC001599987350 1349949673 /nfs/dbraw/zinc/94/96/73/1349949673.db2.gz VLFLPXYJJSMDHY-UHFFFAOYSA-N -1 1 335.448 2.111 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)[nH]1 ZINC001600172157 1349985083 /nfs/dbraw/zinc/98/50/83/1349985083.db2.gz MZLSXALQPKGZRE-CQSZACIVSA-N -1 1 348.428 2.154 20 0 EEADMM Cc1cc(C)nc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001600182373 1349987335 /nfs/dbraw/zinc/98/73/35/1349987335.db2.gz DCRVVCCKPJEPAL-UHFFFAOYSA-N -1 1 349.412 2.256 20 0 EEADMM Cc1cc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc(C(=O)[O-])c1 ZINC001600269507 1350007293 /nfs/dbraw/zinc/00/72/93/1350007293.db2.gz PNRRHFRKFYBFBV-CABCVRRESA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)cc2c1 ZINC001600488818 1350063679 /nfs/dbraw/zinc/06/36/79/1350063679.db2.gz CDCRIUPPTCTGND-ZDUSSCGKSA-N -1 1 329.400 2.097 20 0 EEADMM Cc1cccc(OCCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1C ZINC001600543866 1350078668 /nfs/dbraw/zinc/07/86/68/1350078668.db2.gz IRTDLKXFXMLLAB-OAHLLOKOSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CC1 ZINC001600574244 1350086701 /nfs/dbraw/zinc/08/67/01/1350086701.db2.gz YMUWWGMMQXENJQ-OAHLLOKOSA-N -1 1 330.428 2.034 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@@H]1CCOC1 ZINC001600651363 1350107853 /nfs/dbraw/zinc/10/78/53/1350107853.db2.gz LHHJGWBFSJBBAG-QWRGUYRKSA-N -1 1 326.418 2.050 20 0 EEADMM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001600912479 1350166554 /nfs/dbraw/zinc/16/65/54/1350166554.db2.gz YYCAEMDCFPOYPL-LALPHHSUSA-N -1 1 342.399 2.304 20 0 EEADMM NC(=O)CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC001601150196 1350221037 /nfs/dbraw/zinc/22/10/37/1350221037.db2.gz JWLCDJPCBSADPO-UHFFFAOYSA-N -1 1 330.359 2.402 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC001601297325 1350251545 /nfs/dbraw/zinc/25/15/45/1350251545.db2.gz VKGMOAOODWULJD-UHFFFAOYSA-N -1 1 342.311 2.040 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC001601318468 1350255816 /nfs/dbraw/zinc/25/58/16/1350255816.db2.gz NFZBRQFJHHRDOA-DLBZAZTESA-N -1 1 346.427 2.196 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001601318688 1350255829 /nfs/dbraw/zinc/25/58/29/1350255829.db2.gz SJTYEROGTNVKQY-DOTOQJQBSA-N -1 1 346.427 2.196 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@@H]21 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RWQFPKIOCMFRDB-MGSINWNPSA-N -1 1 329.352 2.002 20 0 EEADMM O=C([O-])C[C@]1(NCc2ncc(Br)s2)CCCOC1 ZINC001601937542 1350401337 /nfs/dbraw/zinc/40/13/37/1350401337.db2.gz SVHXNAHPEFIAAP-LLVKDONJSA-N -1 1 335.223 2.019 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1cncc2nc[nH]c21)c1ccc(F)cc1 ZINC001601907585 1350395278 /nfs/dbraw/zinc/39/52/78/1350395278.db2.gz YFOGDVHWFUBNSY-GFCCVEGCSA-N -1 1 328.303 2.043 20 0 EEADMM O=C([O-])C[C@]1(NCC(=O)Nc2c(Cl)cccc2Cl)CCOC1 ZINC001601932989 1350400807 /nfs/dbraw/zinc/40/08/07/1350400807.db2.gz LIRMYAHNSPTGAV-CQSZACIVSA-N -1 1 347.198 2.155 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@H](Cc2ccccc2)OC1=O ZINC001601949626 1350403980 /nfs/dbraw/zinc/40/39/80/1350403980.db2.gz QTCTVFBATDDPFA-CVEARBPZSA-N -1 1 332.400 2.337 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)CCN2CC[C@H](F)C2)cc1 ZINC001601997602 1350414371 /nfs/dbraw/zinc/41/43/71/1350414371.db2.gz VBSGKQRVPAGLSY-ZDUSSCGKSA-N -1 1 338.379 2.303 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2c(O)cccc2F)s1 ZINC001602003723 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EEADMM CCc1nc(NC[C@H](O)c2ccc(Cl)cc2)cc(-c2nnn[n-]2)n1 ZINC001604568290 1350962269 /nfs/dbraw/zinc/96/22/69/1350962269.db2.gz RVNRGXMJXHSNAF-LBPRGKRZSA-N -1 1 345.794 2.018 20 0 EEADMM CCc1nc(NC[C@H](O)c2ccc(Cl)cc2)cc(-c2nn[n-]n2)n1 ZINC001604568290 1350962271 /nfs/dbraw/zinc/96/22/71/1350962271.db2.gz RVNRGXMJXHSNAF-LBPRGKRZSA-N -1 1 345.794 2.018 20 0 EEADMM CN(CCCOc1ccc(Cl)cc1)c1ncncc1-c1nn[n-]n1 ZINC001604755932 1350997730 /nfs/dbraw/zinc/99/77/30/1350997730.db2.gz DCBHOFPHIFIWNP-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604766678 1350999147 /nfs/dbraw/zinc/99/91/47/1350999147.db2.gz KZGKEYZYJGPDPY-MRRJBJDNSA-N -1 1 341.411 2.135 20 0 EEADMM C[C@H]1CN(C(=O)CCCCc2ccccc2)CCN1CCC(=O)[O-] ZINC001604769939 1350999666 /nfs/dbraw/zinc/99/96/66/1350999666.db2.gz PYLCQUQSEHVBKJ-INIZCTEOSA-N -1 1 332.444 2.407 20 0 EEADMM C[C@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)CCN1CCC(=O)[O-] ZINC001604771540 1351000035 /nfs/dbraw/zinc/00/00/35/1351000035.db2.gz QHTAWWXMWYZOEI-ZFWWWQNUSA-N -1 1 328.428 2.302 20 0 EEADMM C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCN1CCC(=O)[O-] ZINC001604771856 1351000126 /nfs/dbraw/zinc/00/01/26/1351000126.db2.gz TVQGHHPDHINCPY-MRXNPFEDSA-N -1 1 344.455 2.407 20 0 EEADMM C[C@H]1CN(C(=O)c2cnn(C3CCCCC3)c2)CCN1CCC(=O)[O-] ZINC001604783003 1351002056 /nfs/dbraw/zinc/00/20/56/1351002056.db2.gz IRDHIOKNFOZQJX-AWEZNQCLSA-N -1 1 348.447 2.009 20 0 EEADMM COC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC001604910744 1351030221 /nfs/dbraw/zinc/03/02/21/1351030221.db2.gz ZHKKTKPHKJITAE-CYBMUJFWSA-N -1 1 347.375 2.071 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001604965675 1351040883 /nfs/dbraw/zinc/04/08/83/1351040883.db2.gz RGMBBFLMWJILSM-CQSZACIVSA-N -1 1 349.431 2.488 20 0 EEADMM CO[C@H](CC(C)C)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001605007850 1351052146 /nfs/dbraw/zinc/05/21/46/1351052146.db2.gz PRHIJHCFUKRLBI-SECBINFHSA-N -1 1 345.325 2.108 20 0 EEADMM CC[C@H](NCc1nn(C)cc1Br)C1(C(=O)[O-])CCC1 ZINC001605099797 1351077898 /nfs/dbraw/zinc/07/78/98/1351077898.db2.gz VEIQAASDRDFHOA-NSHDSACASA-N -1 1 330.226 2.306 20 0 EEADMM COc1cccc([C@@H](C)c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001605314799 1351134108 /nfs/dbraw/zinc/13/41/08/1351134108.db2.gz DVEKEAOWWLUKKK-SNVBAGLBSA-N -1 1 349.354 2.472 20 0 EEADMM COc1cccc([C@@H](C)c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001605314799 1351134110 /nfs/dbraw/zinc/13/41/10/1351134110.db2.gz DVEKEAOWWLUKKK-SNVBAGLBSA-N -1 1 349.354 2.472 20 0 EEADMM CCCN(Cc1cnc(C(=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC001605320785 1351135677 /nfs/dbraw/zinc/13/56/77/1351135677.db2.gz PAAVCQCDWVGWMC-AWEZNQCLSA-N -1 1 343.383 2.227 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC001605348979 1351142780 /nfs/dbraw/zinc/14/27/80/1351142780.db2.gz TYJMORRCDHBRAZ-LBPRGKRZSA-N -1 1 330.392 2.425 20 0 EEADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC001605428113 1351156766 /nfs/dbraw/zinc/15/67/66/1351156766.db2.gz CYGZALWATJYUNE-ZDUSSCGKSA-N -1 1 349.431 2.406 20 0 EEADMM CCN1CCN(c2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2F)CC1 ZINC001605482742 1351168734 /nfs/dbraw/zinc/16/87/34/1351168734.db2.gz CQGKBQBSUVMHNS-GFCCVEGCSA-N -1 1 337.395 2.017 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC[C@H](c3ccccc3)O2)c1 ZINC001605510926 1351174429 /nfs/dbraw/zinc/17/44/29/1351174429.db2.gz OPYFIDONTXPQKL-GOEBONIOSA-N -1 1 337.383 2.257 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C)C1(CC)CC ZINC001605600509 1351198022 /nfs/dbraw/zinc/19/80/22/1351198022.db2.gz UXPRZTCPJKSDIG-YCPHGPKFSA-N -1 1 342.480 2.127 20 0 EEADMM Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)c(F)cc1F ZINC001605629469 1351204923 /nfs/dbraw/zinc/20/49/23/1351204923.db2.gz DRJMYHRGYBUZGB-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)c(F)cc1F ZINC001605629469 1351204925 /nfs/dbraw/zinc/20/49/25/1351204925.db2.gz DRJMYHRGYBUZGB-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)c1 ZINC001605641165 1351208220 /nfs/dbraw/zinc/20/82/20/1351208220.db2.gz SJKJFOWSYQHASL-UHFFFAOYSA-N -1 1 328.401 2.430 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)c1 ZINC001605641165 1351208223 /nfs/dbraw/zinc/20/82/23/1351208223.db2.gz SJKJFOWSYQHASL-UHFFFAOYSA-N -1 1 328.401 2.430 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@H](C(=O)[O-])C1CCOCC1 ZINC001605830646 1351231069 /nfs/dbraw/zinc/23/10/69/1351231069.db2.gz MMMPHCFAHZFTDQ-SFHVURJKSA-N -1 1 348.443 2.219 20 0 EEADMM Cc1ccc(C)c(OCCOC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605832940 1351231660 /nfs/dbraw/zinc/23/16/60/1351231660.db2.gz MWLRYLDIIDNJIP-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cc1ccc(C)c(OCCOC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605832940 1351231663 /nfs/dbraw/zinc/23/16/63/1351231663.db2.gz MWLRYLDIIDNJIP-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cc1ccc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)nc1-c1nnn[n-]1 ZINC001605871695 1351242654 /nfs/dbraw/zinc/24/26/54/1351242654.db2.gz IEISDBGKXSEQGD-VHSXEESVSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(N[C@H](C[C@@H]2CCCO2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001605871695 1351242656 /nfs/dbraw/zinc/24/26/56/1351242656.db2.gz IEISDBGKXSEQGD-VHSXEESVSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(NCc2ccnc(OC(C)C)c2)nc1-c1nnn[n-]1 ZINC001605875417 1351243848 /nfs/dbraw/zinc/24/38/48/1351243848.db2.gz KSRWKDZDXMZEBA-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1ccc(NCc2ccnc(OC(C)C)c2)nc1-c1nn[n-]n1 ZINC001605875417 1351243851 /nfs/dbraw/zinc/24/38/51/1351243851.db2.gz KSRWKDZDXMZEBA-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)cc1 ZINC001605879633 1351244367 /nfs/dbraw/zinc/24/43/67/1351244367.db2.gz SCUIWOGKLAPPQU-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC001605883409 1351245861 /nfs/dbraw/zinc/24/58/61/1351245861.db2.gz VXFQQCNTXYWZEM-ZBEGNZNMSA-N -1 1 330.384 2.287 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ncccc1Cl ZINC001605885530 1351246675 /nfs/dbraw/zinc/24/66/75/1351246675.db2.gz VJEZNPIGPNDJGK-UHFFFAOYSA-N -1 1 330.749 2.389 20 0 EEADMM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001605981639 1351261314 /nfs/dbraw/zinc/26/13/14/1351261314.db2.gz KSEPKPMSDHCKKT-CYBMUJFWSA-N -1 1 342.380 2.426 20 0 EEADMM Cc1[nH]nc(NCc2sccc2Br)c1-c1nnn[n-]1 ZINC001606014044 1351263817 /nfs/dbraw/zinc/26/38/17/1351263817.db2.gz NIYWGKJWLHFRJX-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1[nH]nc(NCc2sccc2Br)c1-c1nn[n-]n1 ZINC001606014044 1351263820 /nfs/dbraw/zinc/26/38/20/1351263820.db2.gz NIYWGKJWLHFRJX-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@]2(C)CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC001606012933 1351263838 /nfs/dbraw/zinc/26/38/38/1351263838.db2.gz BHNOCSVJBLZUKZ-QGZVFWFLSA-N -1 1 337.387 2.032 20 0 EEADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001606038077 1351265464 /nfs/dbraw/zinc/26/54/64/1351265464.db2.gz XVYXACHPKUMTNT-VIFPVBQESA-N -1 1 343.416 2.168 20 0 EEADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001606038077 1351265468 /nfs/dbraw/zinc/26/54/68/1351265468.db2.gz XVYXACHPKUMTNT-VIFPVBQESA-N -1 1 343.416 2.168 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC001606165666 1351279810 /nfs/dbraw/zinc/27/98/10/1351279810.db2.gz IMAYFZDTTCKEDA-DGCLKSJQSA-N -1 1 333.417 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC001606165666 1351279811 /nfs/dbraw/zinc/27/98/11/1351279811.db2.gz IMAYFZDTTCKEDA-DGCLKSJQSA-N -1 1 333.417 2.268 20 0 EEADMM Clc1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccn1 ZINC001606188253 1351283688 /nfs/dbraw/zinc/28/36/88/1351283688.db2.gz FBBNATPKYFHKGO-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccn1 ZINC001606188253 1351283690 /nfs/dbraw/zinc/28/36/90/1351283690.db2.gz FBBNATPKYFHKGO-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCCc1ccc(Cl)cc1 ZINC001606445096 1351303151 /nfs/dbraw/zinc/30/31/51/1351303151.db2.gz ODOBUXHSVRFZIX-UHFFFAOYSA-N -1 1 345.794 2.352 20 0 EEADMM COC(=O)CC[C@H](C(=O)[O-])N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC001606447835 1351303415 /nfs/dbraw/zinc/30/34/15/1351303415.db2.gz ASEPIMHIANUTMY-PBHICJAKSA-N -1 1 341.354 2.411 20 0 EEADMM COC(=O)CC[C@H](C(=O)[O-])N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC001606447836 1351303536 /nfs/dbraw/zinc/30/35/36/1351303536.db2.gz ASEPIMHIANUTMY-RHSMWYFYSA-N -1 1 341.354 2.411 20 0 EEADMM O=C(C[C@H]1OCc2ccccc21)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606507997 1351313708 /nfs/dbraw/zinc/31/37/08/1351313708.db2.gz UZAQFTWZSJBZQT-CYBMUJFWSA-N -1 1 341.396 2.206 20 0 EEADMM COC(=O)c1cccc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001606617002 1351332469 /nfs/dbraw/zinc/33/24/69/1351332469.db2.gz WGMSPQRAWYLBFI-QGZVFWFLSA-N -1 1 341.363 2.494 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606763735 1351353733 /nfs/dbraw/zinc/35/37/33/1351353733.db2.gz KJPVEAZRDZEVDF-UHFFFAOYSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606763735 1351353737 /nfs/dbraw/zinc/35/37/37/1351353737.db2.gz KJPVEAZRDZEVDF-UHFFFAOYSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NCCc1ccc(F)c(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606794506 1351357833 /nfs/dbraw/zinc/35/78/33/1351357833.db2.gz JQPWVDNQRSXXGK-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1ccc(F)c(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606794506 1351357835 /nfs/dbraw/zinc/35/78/35/1351357835.db2.gz JQPWVDNQRSXXGK-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM COCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1C ZINC001606956798 1351384564 /nfs/dbraw/zinc/38/45/64/1351384564.db2.gz USUUSKHCXBHZRH-UHFFFAOYSA-N -1 1 336.369 2.035 20 0 EEADMM O=C(OCCCc1cccnc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606970372 1351387968 /nfs/dbraw/zinc/38/79/68/1351387968.db2.gz FDQJYRJVXMWVCL-UHFFFAOYSA-N -1 1 344.762 2.100 20 0 EEADMM O=C(Oc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)o1 ZINC001606988065 1351393510 /nfs/dbraw/zinc/39/35/10/1351393510.db2.gz NVQGFVOQVVNISV-UHFFFAOYSA-N -1 1 328.181 2.235 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC001607025979 1351400432 /nfs/dbraw/zinc/40/04/32/1351400432.db2.gz RUYHMZYJZCNAAN-MRXNPFEDSA-N -1 1 349.398 2.414 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC001607025979 1351400434 /nfs/dbraw/zinc/40/04/34/1351400434.db2.gz RUYHMZYJZCNAAN-MRXNPFEDSA-N -1 1 349.398 2.414 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001607090241 1351413847 /nfs/dbraw/zinc/41/38/47/1351413847.db2.gz NHEYPSGHZFXMRB-GWCFXTLKSA-N -1 1 343.412 2.201 20 0 EEADMM c1cnn([C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)c1 ZINC001607132098 1351433300 /nfs/dbraw/zinc/43/33/00/1351433300.db2.gz WJRYRHPXDOYJPG-GFCCVEGCSA-N -1 1 332.371 2.063 20 0 EEADMM c1cnn([C@@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)c1 ZINC001607132098 1351433302 /nfs/dbraw/zinc/43/33/02/1351433302.db2.gz WJRYRHPXDOYJPG-GFCCVEGCSA-N -1 1 332.371 2.063 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC001607215815 1351450757 /nfs/dbraw/zinc/45/07/57/1351450757.db2.gz KGQDPGGEIZUPIB-YPMHNXCESA-N -1 1 333.306 2.281 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001607265866 1351461804 /nfs/dbraw/zinc/46/18/04/1351461804.db2.gz KIPCUXSKEQVYDP-CKYFFXLPSA-N -1 1 340.807 2.328 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(O)c1 ZINC001607277366 1351463734 /nfs/dbraw/zinc/46/37/34/1351463734.db2.gz QMWRMXCKVNXFTQ-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM COc1cccc([C@H](C(=O)[O-])N2CCOc3cc(N)ccc3C2)c1 ZINC001607311015 1351470505 /nfs/dbraw/zinc/47/05/05/1351470505.db2.gz IJFWKKCLVCNCKW-QGZVFWFLSA-N -1 1 328.368 2.298 20 0 EEADMM Cc1[nH]c2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)cc2c1C ZINC001607499029 1351505569 /nfs/dbraw/zinc/50/55/69/1351505569.db2.gz CBROYRAMUOGHLA-LBPRGKRZSA-N -1 1 343.427 2.406 20 0 EEADMM Cc1[nH]c2c(cccc2C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1C ZINC001607499640 1351506347 /nfs/dbraw/zinc/50/63/47/1351506347.db2.gz VISPAVJTZBBVJP-LBPRGKRZSA-N -1 1 343.427 2.406 20 0 EEADMM Cc1cc(CCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(C)s1 ZINC001607636642 1351530011 /nfs/dbraw/zinc/53/00/11/1351530011.db2.gz SMNVDLAXMBMUGF-CQSZACIVSA-N -1 1 335.429 2.223 20 0 EEADMM Cc1cc([C@H]2CCCCN2Cc2noc(CCCC(=O)[O-])n2)n[nH]1 ZINC001607635000 1351530249 /nfs/dbraw/zinc/53/02/49/1351530249.db2.gz WQRLGNDMZVIANZ-CYBMUJFWSA-N -1 1 333.392 2.236 20 0 EEADMM Cc1ccc(C(=O)NCCNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001607732690 1351548241 /nfs/dbraw/zinc/54/82/41/1351548241.db2.gz RHZSNCBBAHOLPO-UHFFFAOYSA-N -1 1 330.359 2.352 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(CN(C)C)nc2)cc1 ZINC001607753385 1351552076 /nfs/dbraw/zinc/55/20/76/1351552076.db2.gz JZSXMLMPBKJWIO-KRWDZBQOSA-N -1 1 341.411 2.397 20 0 EEADMM Cc1oc(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001608057159 1351615712 /nfs/dbraw/zinc/61/57/12/1351615712.db2.gz XRHLBPCILWTQGN-LLVKDONJSA-N -1 1 341.307 2.296 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H]2CCc3ncnn32)nc1C(=O)[O-] ZINC001608068263 1351618189 /nfs/dbraw/zinc/61/81/89/1351618189.db2.gz MHXWUOBZLFRZDP-GHMZBOCLSA-N -1 1 333.417 2.066 20 0 EEADMM Cn1nc2c(c1CNc1nc3cccc(C(=O)[O-])c3[nH]1)CSCC2 ZINC001608151691 1351636378 /nfs/dbraw/zinc/63/63/78/1351636378.db2.gz MKNYRQGXCSFKKV-UHFFFAOYSA-N -1 1 343.412 2.396 20 0 EEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1F ZINC001622271896 1352380612 /nfs/dbraw/zinc/38/06/12/1352380612.db2.gz LQELILNOTSCLGW-OAHLLOKOSA-N -1 1 347.371 2.311 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn(C)nc1-c1cc(F)ccc1F ZINC001625354592 1352447205 /nfs/dbraw/zinc/44/72/05/1352447205.db2.gz LBVFHUZSZBVSLD-UHFFFAOYSA-N -1 1 333.298 2.355 20 0 EEADMM O=C(CCc1nc2cccnc2[nH]1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001630884958 1352573789 /nfs/dbraw/zinc/57/37/89/1352573789.db2.gz XFRZWHOBBFGSOY-UHFFFAOYSA-N -1 1 348.366 2.421 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC001647107267 1353145432 /nfs/dbraw/zinc/14/54/32/1353145432.db2.gz YOLIGRMPUFKDRZ-RTXFEEFZSA-N -1 1 347.383 2.209 20 0 EEADMM NC(=O)c1cc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)cs1 ZINC001648034358 1353414343 /nfs/dbraw/zinc/41/43/43/1353414343.db2.gz VDRXQESJDHCTLT-UHFFFAOYSA-N -1 1 332.316 2.288 20 0 EEADMM Cc1ccccc1C(F)(F)C(=O)[N-][C@H](C)C(=O)NCC(F)(F)F ZINC001649734445 1353577921 /nfs/dbraw/zinc/57/79/21/1353577921.db2.gz UPKZELOOQAVCPT-SECBINFHSA-N -1 1 338.276 2.270 20 0 EEADMM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001649743116 1353581454 /nfs/dbraw/zinc/58/14/54/1353581454.db2.gz HPPASOQZTIZYBJ-VIFPVBQESA-N -1 1 325.402 2.393 20 0 EEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(C)cs1)c1ccccc1 ZINC001649824424 1353611980 /nfs/dbraw/zinc/61/19/80/1353611980.db2.gz JTDIHNSVQYZMKU-OAHLLOKOSA-N -1 1 339.438 2.423 20 0 EEADMM Cc1cccc2nc(C(=O)NCc3n[n-]c(=S)n3C3CC3)cn21 ZINC000066638354 1354078509 /nfs/dbraw/zinc/07/85/09/1354078509.db2.gz RUHUNAOICOVZCS-UHFFFAOYSA-N -1 1 328.401 2.162 20 0 EEADMM Cn1ccc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc21 ZINC000082346486 1355628064 /nfs/dbraw/zinc/62/80/64/1355628064.db2.gz VQZRPUKXTCNGIV-UHFFFAOYSA-N -1 1 343.364 2.414 20 0 EEADMM CCCC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001388622522 1387592837 /nfs/dbraw/zinc/59/28/37/1387592837.db2.gz OVRVFVLFOMDQSL-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CCCC1 ZINC001388623230 1387593668 /nfs/dbraw/zinc/59/36/68/1387593668.db2.gz XZFSPODFIMLYCZ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)CCC(=O)N(C)CCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001388963754 1387842783 /nfs/dbraw/zinc/84/27/83/1387842783.db2.gz RRNRAGTVONMATE-UHFFFAOYSA-N -1 1 348.447 2.026 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346119649 1368138047 /nfs/dbraw/zinc/13/80/47/1368138047.db2.gz IXCCCOLQWNBMGK-OAHLLOKOSA-N -1 1 345.403 2.455 20 0 EEADMM O=S(=O)(CC1CC1)[N-]c1cccn2c(Br)cnc12 ZINC001188930185 1368331094 /nfs/dbraw/zinc/33/10/94/1368331094.db2.gz BQGUNKJCRGEJFC-UHFFFAOYSA-N -1 1 330.207 2.249 20 0 EEADMM CCc1noc([C@H]2CCCN(C(=O)c3cc([O-])cnc3Cl)C2)n1 ZINC001195304886 1368516199 /nfs/dbraw/zinc/51/61/99/1368516199.db2.gz BQFFBIZPBNVLJD-VIFPVBQESA-N -1 1 336.779 2.406 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc2ncc(C(=O)OC)cc2c1 ZINC001195493192 1368543798 /nfs/dbraw/zinc/54/37/98/1368543798.db2.gz ZVQDQVBOSORLTN-UHFFFAOYSA-N -1 1 333.369 2.464 20 0 EEADMM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC001195590551 1368554834 /nfs/dbraw/zinc/55/48/34/1368554834.db2.gz VQNZNZNODAJKDK-UHFFFAOYSA-N -1 1 342.323 2.337 20 0 EEADMM CCOc1ccc(C(=O)NCCCC[P@](=O)([O-])O)cc1CC ZINC001198204070 1368627984 /nfs/dbraw/zinc/62/79/84/1368627984.db2.gz PUZLBSDVKBRUSE-UHFFFAOYSA-N -1 1 329.333 2.335 20 0 EEADMM CN(C)c1nc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(N=O)c(=O)[n-]1 ZINC001201927114 1368857304 /nfs/dbraw/zinc/85/73/04/1368857304.db2.gz MLZOMUMPNQMHIO-WDEREUQCSA-N -1 1 342.359 2.324 20 0 EEADMM COc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1C ZINC000007146513 1369229007 /nfs/dbraw/zinc/22/90/07/1369229007.db2.gz WJGNFEVLILITPY-UHFFFAOYSA-N -1 1 327.336 2.117 20 0 EEADMM CC(C)c1ccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001389270274 1388006141 /nfs/dbraw/zinc/00/61/41/1388006141.db2.gz OJDLYHYYWVHKJU-CYBMUJFWSA-N -1 1 341.411 2.459 20 0 EEADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000863010719 1369554639 /nfs/dbraw/zinc/55/46/39/1369554639.db2.gz YZMQIPOGSFCGAP-LBPRGKRZSA-N -1 1 340.351 2.106 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2C1 ZINC000901443759 1369939300 /nfs/dbraw/zinc/93/93/00/1369939300.db2.gz AGHPJBLOCYHMQT-IAQYHMDHSA-N -1 1 327.384 2.480 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001072175187 1370633387 /nfs/dbraw/zinc/63/33/87/1370633387.db2.gz NZRKMUKBAHRSIM-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CCCCCC(=O)C2)C1 ZINC000830801603 1372351059 /nfs/dbraw/zinc/35/10/59/1372351059.db2.gz MWWOESZSCUMFOG-ABAIWWIYSA-N -1 1 348.365 2.195 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831140522 1372367889 /nfs/dbraw/zinc/36/78/89/1372367889.db2.gz ZQMDVDSAZBFELU-GHMZBOCLSA-N -1 1 346.374 2.297 20 0 EEADMM COc1ccc(CCCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001346306649 1372972327 /nfs/dbraw/zinc/97/23/27/1372972327.db2.gz PSIUQRXWBJIXKA-UHFFFAOYSA-N -1 1 333.413 2.151 20 0 EEADMM CC(C)Cc1nnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1C ZINC000848463476 1373153128 /nfs/dbraw/zinc/15/31/28/1373153128.db2.gz VQAVTJAYVGDYQX-GHMZBOCLSA-N -1 1 347.385 2.049 20 0 EEADMM Cc1cccc(NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC001365046786 1373655970 /nfs/dbraw/zinc/65/59/70/1373655970.db2.gz BWUVQVZSLVIEQY-QWRGUYRKSA-N -1 1 344.337 2.453 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)CCCC2CC2)CN1C(=O)c1ncccc1[O-] ZINC001370876172 1375095625 /nfs/dbraw/zinc/09/56/25/1375095625.db2.gz ZQNJQYASSLBUIG-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CN(CCNC(=O)[C@H]1CCCCC1(C)C)C(=O)c1ncccc1[O-] ZINC001373511960 1376544902 /nfs/dbraw/zinc/54/49/02/1376544902.db2.gz TYGVCWDABAENGV-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001375486455 1377777187 /nfs/dbraw/zinc/77/71/87/1377777187.db2.gz JDCGMWVETMCXRL-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001380692729 1381341883 /nfs/dbraw/zinc/34/18/83/1381341883.db2.gz RUKFRYBTJZZUSJ-KBPBESRZSA-N -1 1 335.448 2.436 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCC1 ZINC001382646223 1382163853 /nfs/dbraw/zinc/16/38/53/1382163853.db2.gz GAKYYTPMFINYKQ-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCCC1 ZINC001384052795 1382765540 /nfs/dbraw/zinc/76/55/40/1382765540.db2.gz VZSSGIPFRCPKJV-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@H](CCNC(=O)C1CCCCCC1)NC(=O)c1ncccc1[O-] ZINC001387414888 1386717384 /nfs/dbraw/zinc/71/73/84/1386717384.db2.gz QHZCEJQIRUHTAI-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC1(CC(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001396941139 1390992460 /nfs/dbraw/zinc/99/24/60/1390992460.db2.gz XBQBFMCISSEJAY-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CC1(C)CCC(CC(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)CC1 ZINC001398463387 1392844508 /nfs/dbraw/zinc/84/45/08/1392844508.db2.gz WZJCKSUYCWNQHZ-AWEZNQCLSA-N -1 1 349.479 2.101 20 0 EEADMM CCC(C)(C)C(=O)N(C)CCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001399693612 1395411290 /nfs/dbraw/zinc/41/12/90/1395411290.db2.gz APGDQXZUWRRVEC-UHFFFAOYSA-N -1 1 348.447 2.026 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)CNCc2ccc(F)cc2Cl)c1[O-] ZINC001422479603 1399946759 /nfs/dbraw/zinc/94/67/59/1399946759.db2.gz BPSUWCCHBRBIGH-MRVPVSSYSA-N -1 1 340.786 2.124 20 0 EEADMM CC1(CCC(=O)N2C[C@H]3CCN(C(=O)c4ncccc4[O-])C[C@H]32)CC1 ZINC001426696421 1402146851 /nfs/dbraw/zinc/14/68/51/1402146851.db2.gz KSZBHIBLXXUKAX-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CCCC[C@@H](C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001428598518 1402763558 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CCc1ccc2c(c1)[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCO2 ZINC001578527414 1403767773 /nfs/dbraw/zinc/76/77/73/1403767773.db2.gz QAPVLPUNBBSLCC-CYBMUJFWSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1ccc([C@H](C)C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001578522964 1403767944 /nfs/dbraw/zinc/76/79/44/1403767944.db2.gz IFCCOIKIAFNCBR-LBPRGKRZSA-N -1 1 336.399 2.244 20 0 EEADMM CCc1ccc([C@H](C)C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001578522964 1403767951 /nfs/dbraw/zinc/76/79/51/1403767951.db2.gz IFCCOIKIAFNCBR-LBPRGKRZSA-N -1 1 336.399 2.244 20 0 EEADMM COc1ccc(Cl)c(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001580030966 1403809655 /nfs/dbraw/zinc/80/96/55/1403809655.db2.gz QARCPJBWJVEYDJ-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM COc1ccc(Cl)cc1CCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001580032895 1403813039 /nfs/dbraw/zinc/81/30/39/1403813039.db2.gz OHYYNKDDZQGLJR-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM COc1ccc(Cl)cc1CCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001580032895 1403813058 /nfs/dbraw/zinc/81/30/58/1403813058.db2.gz OHYYNKDDZQGLJR-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCSc2ccc(F)cc2)c1 ZINC001580608474 1403862648 /nfs/dbraw/zinc/86/26/48/1403862648.db2.gz CFZBMKSNHCLIRL-UHFFFAOYSA-N -1 1 331.376 2.268 20 0 EEADMM Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581202417 1403876560 /nfs/dbraw/zinc/87/65/60/1403876560.db2.gz QVMYHUOQOJPBMD-UHFFFAOYSA-N -1 1 344.762 2.241 20 0 EEADMM Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581202417 1403876566 /nfs/dbraw/zinc/87/65/66/1403876566.db2.gz QVMYHUOQOJPBMD-UHFFFAOYSA-N -1 1 344.762 2.241 20 0 EEADMM CCOc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC001590835106 1403900908 /nfs/dbraw/zinc/90/09/08/1403900908.db2.gz PHRGWABSUIAABX-UHFFFAOYSA-N -1 1 344.327 2.224 20 0 EEADMM CCOc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1OC ZINC001590835106 1403900917 /nfs/dbraw/zinc/90/09/17/1403900917.db2.gz PHRGWABSUIAABX-UHFFFAOYSA-N -1 1 344.327 2.224 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592135097 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CSCC[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1nn[n-]n1 ZINC000912861500 788422160 /nfs/dbraw/zinc/42/21/60/788422160.db2.gz MXDOQIMMFFEMSV-RYUDHWBXSA-N -1 1 349.485 2.390 20 0 EEADMM CCOc1cccc(C=CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912863080 788425625 /nfs/dbraw/zinc/42/56/25/788425625.db2.gz KXNGSPZTBIBBBD-NPQIQWPPSA-N -1 1 347.444 2.222 20 0 EEADMM C[C@H](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC000913495616 788930474 /nfs/dbraw/zinc/93/04/74/788930474.db2.gz LWSDCTQZAYXIRW-SMDDNHRTSA-N -1 1 349.822 2.022 20 0 EEADMM CCc1nc[nH]c1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000913482408 788931779 /nfs/dbraw/zinc/93/17/79/788931779.db2.gz OUBOFWJYTQFRGL-UHFFFAOYSA-N -1 1 348.834 2.289 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1Cl ZINC000913497903 788949119 /nfs/dbraw/zinc/94/91/19/788949119.db2.gz MIQFCHDNXLYIQF-CYBMUJFWSA-N -1 1 335.795 2.190 20 0 EEADMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCOc1ccccc1C(=O)[O-] ZINC000844241691 788949817 /nfs/dbraw/zinc/94/98/17/788949817.db2.gz 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EEADMM C[C@H](C[C@H](C)Nc1ncc(Cl)cn1)NC(=O)c1ncccc1[O-] ZINC001089272882 793930107 /nfs/dbraw/zinc/93/01/07/793930107.db2.gz RSOXAMLPMMSJKN-ZJUUUORDSA-N -1 1 335.795 2.240 20 0 EEADMM CC[C@H](C)c1ccccc1OCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742755 794202741 /nfs/dbraw/zinc/20/27/41/794202741.db2.gz SMHDYONALGPNHA-ZDUSSCGKSA-N -1 1 343.431 2.498 20 0 EEADMM Cc1cccc(C2(C(=O)N3CCC(c4nn[n-]n4)CC3)CCC2)c1 ZINC000913742807 794202872 /nfs/dbraw/zinc/20/28/72/794202872.db2.gz VTMJLNYGCXVTCQ-UHFFFAOYSA-N -1 1 325.416 2.336 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)N3CCC(c4nn[n-]n4)CC3)CC2)c1 ZINC000913743352 794205446 /nfs/dbraw/zinc/20/54/46/794205446.db2.gz ROQKLBPUJHHWOM-UHFFFAOYSA-N -1 1 325.416 2.254 20 0 EEADMM O=C(c1ccc(OC2CCC2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743699 794207110 /nfs/dbraw/zinc/20/71/10/794207110.db2.gz HMNBRDMEBVPVRV-UHFFFAOYSA-N -1 1 327.388 2.151 20 0 EEADMM O=C(c1cnc2c(F)ccc(F)c2c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913746484 794222708 /nfs/dbraw/zinc/22/27/08/794222708.db2.gz 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797846225 /nfs/dbraw/zinc/84/62/25/797846225.db2.gz YBGYQPSESMTROH-UHFFFAOYSA-N -1 1 333.373 2.449 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(S(=O)(=O)[O-])cc3)cc2)CC1 ZINC001174814800 797877661 /nfs/dbraw/zinc/87/76/61/797877661.db2.gz IATOSXAENFJHEE-UHFFFAOYSA-N -1 1 347.440 2.429 20 0 EEADMM COC(=O)[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000916766726 797879010 /nfs/dbraw/zinc/87/90/10/797879010.db2.gz MGLYFOVUZLVJNJ-MRXNPFEDSA-N -1 1 343.379 2.243 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc(OC)c(F)c2)no1 ZINC001212767137 797917343 /nfs/dbraw/zinc/91/73/43/797917343.db2.gz QBSVWPTVCLTJSP-UHFFFAOYSA-N -1 1 332.291 2.451 20 0 EEADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1 ZINC001175350458 798084158 /nfs/dbraw/zinc/08/41/58/798084158.db2.gz YNRHUFICYLNYGH-UHFFFAOYSA-N -1 1 336.392 2.204 20 0 EEADMM Cc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)nn1 ZINC000786021569 806654463 /nfs/dbraw/zinc/65/44/63/806654463.db2.gz QCOXLNIUKLNVBG-UHFFFAOYSA-N -1 1 326.308 2.262 20 0 EEADMM Nc1ccc(-c2cc3cc(NC(=O)Cc4nn[n-]n4)ccc3o2)cc1 ZINC001176844740 798618398 /nfs/dbraw/zinc/61/83/98/798618398.db2.gz IKFFJNODTITILI-UHFFFAOYSA-N -1 1 334.339 2.376 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CCC1(C)C)C(=O)c1ncccc1[O-] ZINC001002848908 798714335 /nfs/dbraw/zinc/71/43/35/798714335.db2.gz OGAADMIJDJHNDK-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)c1nccc(N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001065245337 798804654 /nfs/dbraw/zinc/80/46/54/798804654.db2.gz RIDDPESYWBLDTL-SFHVURJKSA-N -1 1 341.415 2.099 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)C1 ZINC001085435222 800500860 /nfs/dbraw/zinc/50/08/60/800500860.db2.gz ZYWHDIQMTPMDIM-BFHYXJOUSA-N -1 1 349.479 2.244 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc2c(c1)OCCCO2 ZINC000828169461 800618368 /nfs/dbraw/zinc/61/83/68/800618368.db2.gz RJZNIIUQKAKWCN-UHFFFAOYSA-N -1 1 341.367 2.475 20 0 EEADMM CN(C(=O)c1ccco1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001003987513 800723103 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COC(=O)c1cccc(NC(=O)CN[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC001598997036 998789787 /nfs/dbraw/zinc/78/97/87/998789787.db2.gz BJNVVFPFZWKZEY-KSMLVUNXSA-N -1 1 348.399 2.035 20 0 EEADMM C[C@@H]1C[C@@H](C)N1CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594232064 998882315 /nfs/dbraw/zinc/88/23/15/998882315.db2.gz FLSBCVNJGJOWSZ-HSMVNMDESA-N -1 1 329.400 2.204 20 0 EEADMM C[C@H]1CC[C@](CO)(N(C)Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1 ZINC001594308855 999192942 /nfs/dbraw/zinc/19/29/42/999192942.db2.gz PWJQCRNQVFAAKA-VOJFVSQTSA-N -1 1 345.399 2.017 20 0 EEADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Br)c2)[C@@H]1CO ZINC001594423778 999583820 /nfs/dbraw/zinc/58/38/20/999583820.db2.gz HPRSNQDQCBIMSD-TVQRCGJNSA-N -1 1 328.206 2.350 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001594447824 999641847 /nfs/dbraw/zinc/64/18/47/999641847.db2.gz JJAKDRDPLIFTIW-QLJPJBMISA-N -1 1 329.356 2.178 20 0 EEADMM C[C@@H]1CCc2nc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)cn2C1 ZINC001594450735 999648150 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CCS(=O)(CC)=NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001456056953 1109061501 /nfs/dbraw/zinc/06/15/01/1109061501.db2.gz RDMKGDBKAYTHQG-UHFFFAOYSA-N -1 1 348.428 2.130 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1nccc(Cl)c1F ZINC001465207093 1110413267 /nfs/dbraw/zinc/41/32/67/1110413267.db2.gz ICEWODFFTMABPV-UHFFFAOYSA-N -1 1 348.725 2.219 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001506552101 1114693563 /nfs/dbraw/zinc/69/35/63/1114693563.db2.gz XOVYFXHNRLRXNP-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1=CCCC1 ZINC001509300617 1115791077 /nfs/dbraw/zinc/79/10/77/1115791077.db2.gz SWYYASYAOYJNSI-AWEZNQCLSA-N -1 1 331.416 2.302 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC1(C)CC1 ZINC001512237019 1118466695 /nfs/dbraw/zinc/46/66/95/1118466695.db2.gz JAGWRTSNEFSBLH-STQMWFEESA-N -1 1 333.432 2.381 20 0 EEADMM C[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)CC(C)(C)O1 ZINC001519752117 1119103602 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O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1cnc(C2CC2)[n-]c1=O ZINC001551882567 1124668550 /nfs/dbraw/zinc/66/85/50/1124668550.db2.gz FUZANOKOZQWGHD-OAHLLOKOSA-N -1 1 339.395 2.446 20 0 EEADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)nc1 ZINC000055583796 214332192 /nfs/dbraw/zinc/33/21/92/214332192.db2.gz MBVCXVCJJOCAAM-UHFFFAOYSA-N -1 1 349.803 2.425 20 0 EEADMM O=C(NCCNC(=O)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000055624917 214334076 /nfs/dbraw/zinc/33/40/76/214334076.db2.gz IXILODBXDPHAAO-UHFFFAOYSA-N -1 1 336.750 2.345 20 0 EEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000064467704 214788097 /nfs/dbraw/zinc/78/80/97/214788097.db2.gz QWHVTNJWULZUEJ-UHFFFAOYSA-N -1 1 349.364 2.281 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(S(=O)(=O)CC2CCC2)CC1 ZINC000092993943 539388609 /nfs/dbraw/zinc/38/86/09/539388609.db2.gz OBRIPNDCZVSRQW-UHFFFAOYSA-N -1 1 337.441 2.417 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000178578092 232269622 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1 333.365 2.179 20 0 EEADMM Cc1cc(CN2CCCN(c3ccc(C)nn3)CC2)oc1C(=O)[O-] ZINC000738616308 578021496 /nfs/dbraw/zinc/02/14/96/578021496.db2.gz QWWTYMGWHSETQN-UHFFFAOYSA-N -1 1 330.388 2.097 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000738902895 578030462 /nfs/dbraw/zinc/03/04/62/578030462.db2.gz NLLZDXQEOIVRFY-LBPRGKRZSA-N -1 1 344.415 2.080 20 0 EEADMM CC(=O)c1[nH]c(CC(=O)NOCc2ccccc2)c(C(=O)[O-])c1C ZINC000736177449 578185845 /nfs/dbraw/zinc/18/58/45/578185845.db2.gz LTNPADOMPSUPGO-UHFFFAOYSA-N -1 1 330.340 2.014 20 0 EEADMM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)N1CCCCCC1 ZINC000736198552 578186541 /nfs/dbraw/zinc/18/65/41/578186541.db2.gz BQNPGMMJCKYQGL-XJKSGUPXSA-N -1 1 332.400 2.130 20 0 EEADMM CC1(C)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]2CCO[C@@H]21 ZINC000736204718 578187185 /nfs/dbraw/zinc/18/71/85/578187185.db2.gz GKNXFVRAVZCPAM-ARDNSNSESA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000736204718 578187186 /nfs/dbraw/zinc/18/71/86/578187186.db2.gz GKNXFVRAVZCPAM-ARDNSNSESA-N -1 1 326.813 2.202 20 0 EEADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)N1CCCCCC1 ZINC000736210516 578187435 /nfs/dbraw/zinc/18/74/35/578187435.db2.gz GFFDPJINQNIZAL-XHDPSFHLSA-N -1 1 340.370 2.471 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccnc1-c1nnn[n-]1 ZINC000736232391 578188808 /nfs/dbraw/zinc/18/88/08/578188808.db2.gz CTDCQVBWXQHOLQ-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccnc1-c1nn[n-]n1 ZINC000736232391 578188809 /nfs/dbraw/zinc/18/88/09/578188809.db2.gz CTDCQVBWXQHOLQ-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM CCCc1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000736494475 578207825 /nfs/dbraw/zinc/20/78/25/578207825.db2.gz CVTDUXANZGJXGZ-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM CCCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000736494475 578207826 /nfs/dbraw/zinc/20/78/26/578207826.db2.gz CVTDUXANZGJXGZ-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM CC(C)n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736540577 578210241 /nfs/dbraw/zinc/21/02/41/578210241.db2.gz JKFCTKAFPFRAKZ-UHFFFAOYSA-N -1 1 345.327 2.241 20 0 EEADMM C[C@@H](c1ccccc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736718699 578220006 /nfs/dbraw/zinc/22/00/06/578220006.db2.gz UUSLMQJCCZEQPQ-RDJZCZTQSA-N -1 1 348.443 2.162 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736878503 578228068 /nfs/dbraw/zinc/22/80/68/578228068.db2.gz MACSMPLUGWCKNF-ZVZYQTTQSA-N -1 1 332.444 2.167 20 0 EEADMM CCC[C@@](C)(NCC(=O)NCc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000736962960 578231374 /nfs/dbraw/zinc/23/13/74/578231374.db2.gz HPXDNUXXNJFEKV-MRXNPFEDSA-N -1 1 342.823 2.198 20 0 EEADMM CCCN1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000737030184 578233902 /nfs/dbraw/zinc/23/39/02/578233902.db2.gz LICBRTNQPXLJLC-UHFFFAOYSA-N -1 1 334.420 2.356 20 0 EEADMM COc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1O ZINC000737096395 578237828 /nfs/dbraw/zinc/23/78/28/578237828.db2.gz URINOAAGEGRUKZ-UHFFFAOYSA-N -1 1 332.751 2.241 20 0 EEADMM COc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1O ZINC000737096395 578237829 /nfs/dbraw/zinc/23/78/29/578237829.db2.gz URINOAAGEGRUKZ-UHFFFAOYSA-N -1 1 332.751 2.241 20 0 EEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737103238 578238162 /nfs/dbraw/zinc/23/81/62/578238162.db2.gz DIYCJNGETKVGBP-INIZCTEOSA-N -1 1 348.418 2.361 20 0 EEADMM CCOC(=O)CCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737136104 578240161 /nfs/dbraw/zinc/24/01/61/578240161.db2.gz HYUZDFUTDAUTCR-AWEZNQCLSA-N -1 1 334.416 2.239 20 0 EEADMM COc1ccccc1CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737150048 578240917 /nfs/dbraw/zinc/24/09/17/578240917.db2.gz KXVFKZPWJAJMHB-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccccc1CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737150048 578240918 /nfs/dbraw/zinc/24/09/18/578240918.db2.gz KXVFKZPWJAJMHB-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000737165122 578241567 /nfs/dbraw/zinc/24/15/67/578241567.db2.gz OJRDYTWHVWVOBW-CABCVRRESA-N -1 1 334.416 2.459 20 0 EEADMM Cc1cc(C)n(-c2ccc(CNc3cccc(-c4nnn[n-]4)n3)cn2)n1 ZINC000737257058 578246482 /nfs/dbraw/zinc/24/64/82/578246482.db2.gz POKMQYNCLVPFRM-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1cc(C)n(-c2ccc(CNc3cccc(-c4nn[n-]n4)n3)cn2)n1 ZINC000737257058 578246483 /nfs/dbraw/zinc/24/64/83/578246483.db2.gz POKMQYNCLVPFRM-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000737549568 578263534 /nfs/dbraw/zinc/26/35/34/578263534.db2.gz ZDOPFIUFAWGBIS-SECBINFHSA-N -1 1 344.350 2.178 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCCCCCCO)c2ccccc12 ZINC000823656248 599126108 /nfs/dbraw/zinc/12/61/08/599126108.db2.gz ANCGRXGDBRGCAV-UHFFFAOYSA-N -1 1 327.388 2.124 20 0 EEADMM CCN(CC(=O)NCC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262259580 597772319 /nfs/dbraw/zinc/77/23/19/597772319.db2.gz RWIIORKWSJQZRM-JTQLQIEISA-N -1 1 332.322 2.289 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCN1C[C@@H](C)O ZINC000820296969 598169474 /nfs/dbraw/zinc/16/94/74/598169474.db2.gz HWWTWSPKZRSAJH-HIFRSBDPSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1oc(NC(=O)CN(C)c2ccc(F)cc2)c(-c2nn[n-]n2)c1C ZINC000822548390 607365110 /nfs/dbraw/zinc/36/51/10/607365110.db2.gz KGPYZOVYLINLKN-UHFFFAOYSA-N -1 1 344.350 2.291 20 0 EEADMM O=C([O-])c1cc(NC(=O)Cc2n[nH]c3ccccc23)cc([N+](=O)[O-])c1 ZINC000238188737 600188737 /nfs/dbraw/zinc/18/87/37/600188737.db2.gz XVPBXGKQPRITLV-UHFFFAOYSA-N -1 1 340.295 2.351 20 0 EEADMM CC(C)C(=O)NCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826658579 600732348 /nfs/dbraw/zinc/73/23/48/600732348.db2.gz RLSXSDKLMBCNEK-LBPRGKRZSA-N -1 1 333.215 2.481 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)[nH]1 ZINC000833021462 600936636 /nfs/dbraw/zinc/93/66/36/600936636.db2.gz LXOXKUOBVRHWAI-CYBMUJFWSA-N -1 1 348.428 2.318 20 0 EEADMM CN(C)Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000830620196 600956430 /nfs/dbraw/zinc/95/64/30/600956430.db2.gz QHZXNCSIIQPPGE-ZIAGYGMSSA-N -1 1 336.407 2.395 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1OC ZINC000831892635 600970809 /nfs/dbraw/zinc/97/08/09/600970809.db2.gz VCNSRQMAZNZOKQ-GHMZBOCLSA-N -1 1 336.388 2.213 20 0 EEADMM CC(C)(NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000826630910 601012420 /nfs/dbraw/zinc/01/24/20/601012420.db2.gz ZYMJSRFULSCEDK-GFCCVEGCSA-N -1 1 336.413 2.106 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000832847796 601081268 /nfs/dbraw/zinc/08/12/68/601081268.db2.gz VVLDYCDTRROVAR-UHFFFAOYSA-N -1 1 341.289 2.408 20 0 EEADMM CCOc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000830084785 601123605 /nfs/dbraw/zinc/12/36/05/601123605.db2.gz MHNRANWOTDMKNF-CYBMUJFWSA-N -1 1 335.404 2.098 20 0 EEADMM CC(C)Oc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000827055174 601128900 /nfs/dbraw/zinc/12/89/00/601128900.db2.gz XUOGLXXWMJABFF-CQSZACIVSA-N -1 1 349.431 2.487 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3scnc3c2)CC1 ZINC000827368917 601131382 /nfs/dbraw/zinc/13/13/82/601131382.db2.gz KPGJMMYFTGOXQA-LLVKDONJSA-N -1 1 348.428 2.309 20 0 EEADMM COc1ccc(-c2cc(C(=O)N(C)C(C)(C)C(=O)[O-])n[nH]2)cc1OC ZINC000832112698 601283826 /nfs/dbraw/zinc/28/38/26/601283826.db2.gz WNABGQLTSJEBGP-UHFFFAOYSA-N -1 1 347.371 2.029 20 0 EEADMM CN(C(=O)CN1CCC[C@@]2(CCCOC2)C1)c1ccccc1C(=O)[O-] ZINC000830486415 601307483 /nfs/dbraw/zinc/30/74/83/601307483.db2.gz ZIZDYXVPWKOJDW-LJQANCHMSA-N -1 1 346.427 2.240 20 0 EEADMM O=C([O-])C1(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)CCCC1 ZINC000833134129 601366103 /nfs/dbraw/zinc/36/61/03/601366103.db2.gz PGKRQHCDKWYZCY-CQSZACIVSA-N -1 1 349.431 2.361 20 0 EEADMM O=C([O-])[C@]1(F)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000833174808 601439550 /nfs/dbraw/zinc/43/95/50/601439550.db2.gz JVXGHQAYXZIKCZ-HNNXBMFYSA-N -1 1 339.754 2.431 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCOc2cccc(Br)c2)C1 ZINC000833174132 601445719 /nfs/dbraw/zinc/44/57/19/601445719.db2.gz BGOYSVGWSNRXCG-CYBMUJFWSA-N -1 1 332.169 2.327 20 0 EEADMM Cc1cc(C(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1-c1nccs1 ZINC000832857900 601534498 /nfs/dbraw/zinc/53/44/98/601534498.db2.gz DAHDIVJWBAUGHW-YGRLFVJLSA-N -1 1 347.440 2.386 20 0 EEADMM C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762213 607528967 /nfs/dbraw/zinc/52/89/67/607528967.db2.gz FFRJMRJPJVFIIB-VCGICTTQSA-N -1 1 331.376 2.411 20 0 EEADMM C[C@@H](c1ccc(F)cc1)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762213 607528969 /nfs/dbraw/zinc/52/89/69/607528969.db2.gz FFRJMRJPJVFIIB-VCGICTTQSA-N -1 1 331.376 2.411 20 0 EEADMM Cc1ccc2cccc(S(=O)(=O)Nc3csnc3C(=O)[O-])c2n1 ZINC000832962246 602155919 /nfs/dbraw/zinc/15/59/19/602155919.db2.gz YWJRWCFTTQODAN-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CONC(=N)[C@@H]1COc2ccccc2O1 ZINC000833025642 602160754 /nfs/dbraw/zinc/16/07/54/602160754.db2.gz OUZFFKBHOZCMCV-AWEZNQCLSA-N -1 1 332.312 2.125 20 0 EEADMM Clc1cc2c(cc1NCc1ccnc(-c3nnn[n-]3)c1)OCCO2 ZINC000826351761 607547935 /nfs/dbraw/zinc/54/79/35/607547935.db2.gz ZIHWZPKTMUYTJB-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Clc1cc2c(cc1NCc1ccnc(-c3nn[n-]n3)c1)OCCO2 ZINC000826351761 607547938 /nfs/dbraw/zinc/54/79/38/607547938.db2.gz ZIHWZPKTMUYTJB-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC000826261494 607594483 /nfs/dbraw/zinc/59/44/83/607594483.db2.gz HPRUQLRJWBQFNK-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC000826261494 607594486 /nfs/dbraw/zinc/59/44/86/607594486.db2.gz HPRUQLRJWBQFNK-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM CC(C)(C)c1ncsc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824141578 607609538 /nfs/dbraw/zinc/60/95/38/607609538.db2.gz JVVBWFWWRFVYAE-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1ncsc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824141578 607609539 /nfs/dbraw/zinc/60/95/39/607609539.db2.gz JVVBWFWWRFVYAE-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM Clc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1-c1nn[n-]n1 ZINC000826352089 607822075 /nfs/dbraw/zinc/82/20/75/607822075.db2.gz MYTZDEGDWQVPCO-CKLFPEKLSA-N -1 1 332.795 2.285 20 0 EEADMM Clc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc1-c1nnn[n-]1 ZINC000826352089 607822074 /nfs/dbraw/zinc/82/20/74/607822074.db2.gz MYTZDEGDWQVPCO-CKLFPEKLSA-N -1 1 332.795 2.285 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccc(F)c1 ZINC000833514567 605099453 /nfs/dbraw/zinc/09/94/53/605099453.db2.gz ULPIXGMQUCAAMX-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000833624647 605111762 /nfs/dbraw/zinc/11/17/62/605111762.db2.gz VRLLCTWTDRTHJS-RHSMWYFYSA-N -1 1 330.428 2.114 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2cc(OC)ccc2C(=O)[O-])C[C@@H]1C ZINC000833659199 605166051 /nfs/dbraw/zinc/16/60/51/605166051.db2.gz ZCZXZWAVBSFGBN-NWDGAFQWSA-N -1 1 335.404 2.340 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833535383 605256291 /nfs/dbraw/zinc/25/62/91/605256291.db2.gz HZWUNAYCIXKTDP-GJZGRUSLSA-N -1 1 340.464 2.122 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000833509556 605295889 /nfs/dbraw/zinc/29/58/89/605295889.db2.gz YOCHMZCTPBPEKB-CVEARBPZSA-N -1 1 334.416 2.486 20 0 EEADMM Cn1c(COC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccccc21 ZINC000822596845 606138232 /nfs/dbraw/zinc/13/82/32/606138232.db2.gz WMPBWPFAWYASNY-UHFFFAOYSA-N -1 1 340.368 2.172 20 0 EEADMM Cn1c(COC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccccc21 ZINC000822596845 606138234 /nfs/dbraw/zinc/13/82/34/606138234.db2.gz WMPBWPFAWYASNY-UHFFFAOYSA-N -1 1 340.368 2.172 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC2(C)C)c1-c1nn[n-]n1 ZINC000821990467 606152063 /nfs/dbraw/zinc/15/20/63/606152063.db2.gz SSAVBJWNFCDQMV-UHFFFAOYSA-N -1 1 344.444 2.486 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000820920962 606158175 /nfs/dbraw/zinc/15/81/75/606158175.db2.gz URUPAZNJBXAGCQ-CYBMUJFWSA-N -1 1 340.391 2.181 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000820920962 606158176 /nfs/dbraw/zinc/15/81/76/606158176.db2.gz URUPAZNJBXAGCQ-CYBMUJFWSA-N -1 1 340.391 2.181 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000822609591 606164554 /nfs/dbraw/zinc/16/45/54/606164554.db2.gz RBMBEGMUQRUTAF-LLVKDONJSA-N -1 1 346.439 2.280 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC000822609591 606164555 /nfs/dbraw/zinc/16/45/55/606164555.db2.gz RBMBEGMUQRUTAF-LLVKDONJSA-N -1 1 346.439 2.280 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820706376 606195450 /nfs/dbraw/zinc/19/54/50/606195450.db2.gz ZHUGPQVQKJERMG-HZMBPMFUSA-N -1 1 331.376 2.106 20 0 EEADMM O=C(COc1ccccc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823055598 606297097 /nfs/dbraw/zinc/29/70/97/606297097.db2.gz RXVYEBVSTCXABX-UHFFFAOYSA-N -1 1 345.746 2.243 20 0 EEADMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(-c3nn[n-]n3)s1)N2 ZINC000821849363 606393732 /nfs/dbraw/zinc/39/37/32/606393732.db2.gz FSWAWZFKSFZCPA-AWEZNQCLSA-N -1 1 342.384 2.133 20 0 EEADMM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(-c3nn[n-]n3)s1)N2 ZINC000822274557 606394060 /nfs/dbraw/zinc/39/40/60/606394060.db2.gz BAXLGHRZVBXBBY-AWEZNQCLSA-N -1 1 326.385 2.433 20 0 EEADMM COC(=O)Cc1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821663622 606466524 /nfs/dbraw/zinc/46/65/24/606466524.db2.gz GRUXKNLBZDCGOO-UHFFFAOYSA-N -1 1 345.746 2.423 20 0 EEADMM COC(=O)Cc1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821663622 606466525 /nfs/dbraw/zinc/46/65/25/606466525.db2.gz GRUXKNLBZDCGOO-UHFFFAOYSA-N -1 1 345.746 2.423 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821836071 606487278 /nfs/dbraw/zinc/48/72/78/606487278.db2.gz ZOPWJDRPENVPIP-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821836071 606487279 /nfs/dbraw/zinc/48/72/79/606487279.db2.gz ZOPWJDRPENVPIP-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1cc(OC)cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821724474 606494110 /nfs/dbraw/zinc/49/41/10/606494110.db2.gz VNHQIVMGIVXSET-UHFFFAOYSA-N -1 1 332.341 2.165 20 0 EEADMM COc1cc(OC)cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821724474 606494112 /nfs/dbraw/zinc/49/41/12/606494112.db2.gz VNHQIVMGIVXSET-UHFFFAOYSA-N -1 1 332.341 2.165 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823160684 606533663 /nfs/dbraw/zinc/53/36/63/606533663.db2.gz FBMHFDMUUKEKBT-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823160684 606533665 /nfs/dbraw/zinc/53/36/65/606533665.db2.gz FBMHFDMUUKEKBT-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823161671 606554129 /nfs/dbraw/zinc/55/41/29/606554129.db2.gz PJFXVTZGGMWNEE-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823161671 606554131 /nfs/dbraw/zinc/55/41/31/606554131.db2.gz PJFXVTZGGMWNEE-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCCc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823229261 606580343 /nfs/dbraw/zinc/58/03/43/606580343.db2.gz JRZMKSUAIHPXHL-UHFFFAOYSA-N -1 1 340.368 2.042 20 0 EEADMM O=C(NCCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823229261 606580344 /nfs/dbraw/zinc/58/03/44/606580344.db2.gz JRZMKSUAIHPXHL-UHFFFAOYSA-N -1 1 340.368 2.042 20 0 EEADMM CCOc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1C ZINC000821395535 606649450 /nfs/dbraw/zinc/64/94/50/606649450.db2.gz YYOOQPMTVBGQFR-UHFFFAOYSA-N -1 1 339.355 2.326 20 0 EEADMM CCOc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1C ZINC000821395535 606649451 /nfs/dbraw/zinc/64/94/51/606649451.db2.gz YYOOQPMTVBGQFR-UHFFFAOYSA-N -1 1 339.355 2.326 20 0 EEADMM O=C(Cc1ccc2c(c1)CCC2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082805 606652142 /nfs/dbraw/zinc/65/21/42/606652142.db2.gz QWJDMDARBBLCQT-UHFFFAOYSA-N -1 1 335.367 2.036 20 0 EEADMM O=C(Cc1ccc2c(c1)CCC2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082805 606652143 /nfs/dbraw/zinc/65/21/43/606652143.db2.gz QWJDMDARBBLCQT-UHFFFAOYSA-N -1 1 335.367 2.036 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823483513 606971085 /nfs/dbraw/zinc/97/10/85/606971085.db2.gz HHCWTVGCMYFVOE-SNVBAGLBSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823483513 606971087 /nfs/dbraw/zinc/97/10/87/606971087.db2.gz HHCWTVGCMYFVOE-SNVBAGLBSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826461886 607807286 /nfs/dbraw/zinc/80/72/86/607807286.db2.gz JAEVAEQKENSEBI-ZWKOPEQDSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826461886 607807287 /nfs/dbraw/zinc/80/72/87/607807287.db2.gz JAEVAEQKENSEBI-ZWKOPEQDSA-N -1 1 346.412 2.433 20 0 EEADMM Fc1cccc(OCc2nc(CC(F)(F)F)no2)c1-c1nnn[n-]1 ZINC000826378021 607866255 /nfs/dbraw/zinc/86/62/55/607866255.db2.gz RECXQUAEPRYUMP-UHFFFAOYSA-N -1 1 344.228 2.073 20 0 EEADMM Fc1cccc(OCc2nc(CC(F)(F)F)no2)c1-c1nn[n-]n1 ZINC000826378021 607866256 /nfs/dbraw/zinc/86/62/56/607866256.db2.gz RECXQUAEPRYUMP-UHFFFAOYSA-N -1 1 344.228 2.073 20 0 EEADMM COCCOCc1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826161274 607896316 /nfs/dbraw/zinc/89/63/16/607896316.db2.gz ZXFWERBNARSRKW-UHFFFAOYSA-N -1 1 326.360 2.168 20 0 EEADMM COCCOCc1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826161274 607896317 /nfs/dbraw/zinc/89/63/17/607896317.db2.gz ZXFWERBNARSRKW-UHFFFAOYSA-N -1 1 326.360 2.168 20 0 EEADMM OCCCN(Cc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000826510140 607902261 /nfs/dbraw/zinc/90/22/61/607902261.db2.gz ZRAQMIARONMTDF-UHFFFAOYSA-N -1 1 344.806 2.304 20 0 EEADMM OCCCN(Cc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000826510140 607902262 /nfs/dbraw/zinc/90/22/62/607902262.db2.gz ZRAQMIARONMTDF-UHFFFAOYSA-N -1 1 344.806 2.304 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(CC)CC ZINC000825582555 607991322 /nfs/dbraw/zinc/99/13/22/607991322.db2.gz LEGIRESPLCIQCI-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(CC)CC ZINC000825582555 607991323 /nfs/dbraw/zinc/99/13/23/607991323.db2.gz LEGIRESPLCIQCI-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826338176 607997069 /nfs/dbraw/zinc/99/70/69/607997069.db2.gz NETCNNJLWGMEHF-UHFFFAOYSA-N -1 1 336.258 2.059 20 0 EEADMM Cc1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C(C)C)n1 ZINC000826329543 607999546 /nfs/dbraw/zinc/99/95/46/607999546.db2.gz HXENGBYHXXNQHP-UHFFFAOYSA-N -1 1 339.359 2.046 20 0 EEADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824406538 608073525 /nfs/dbraw/zinc/07/35/25/608073525.db2.gz MKFADBYOOCYAGO-JTQLQIEISA-N -1 1 343.412 2.385 20 0 EEADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824406538 608073526 /nfs/dbraw/zinc/07/35/26/608073526.db2.gz MKFADBYOOCYAGO-JTQLQIEISA-N -1 1 343.412 2.385 20 0 EEADMM Clc1nsc(N2CCO[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826354352 608189802 /nfs/dbraw/zinc/18/98/02/608189802.db2.gz ZDGIGOIJKCQQRX-SFYZADRCSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nsc(N2CCO[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826354352 608189804 /nfs/dbraw/zinc/18/98/04/608189804.db2.gz ZDGIGOIJKCQQRX-SFYZADRCSA-N -1 1 326.813 2.124 20 0 EEADMM Fc1cccc(Oc2ccc3nnc(C(F)F)n3n2)c1-c1nnn[n-]1 ZINC000826377672 608193259 /nfs/dbraw/zinc/19/32/59/608193259.db2.gz AMKUGBNDIWNDEG-UHFFFAOYSA-N -1 1 348.248 2.173 20 0 EEADMM Fc1cccc(Oc2ccc3nnc(C(F)F)n3n2)c1-c1nn[n-]n1 ZINC000826377672 608193260 /nfs/dbraw/zinc/19/32/60/608193260.db2.gz AMKUGBNDIWNDEG-UHFFFAOYSA-N -1 1 348.248 2.173 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825146639 608231910 /nfs/dbraw/zinc/23/19/10/608231910.db2.gz DZZAXMJIXQEJNQ-UCORVYFPSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825146639 608231912 /nfs/dbraw/zinc/23/19/12/608231912.db2.gz DZZAXMJIXQEJNQ-UCORVYFPSA-N -1 1 342.734 2.090 20 0 EEADMM Fc1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c(F)c1 ZINC000826373933 608401998 /nfs/dbraw/zinc/40/19/98/608401998.db2.gz FYLWPMSFHQVDKG-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c(F)c1 ZINC000826373933 608402000 /nfs/dbraw/zinc/40/20/00/608402000.db2.gz FYLWPMSFHQVDKG-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1F ZINC000826373877 608414393 /nfs/dbraw/zinc/41/43/93/608414393.db2.gz CLEHJEWJSINBRV-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1F ZINC000826373877 608414395 /nfs/dbraw/zinc/41/43/95/608414395.db2.gz CLEHJEWJSINBRV-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM CC(C)(C)c1nc(CCNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000824141043 608438299 /nfs/dbraw/zinc/43/82/99/608438299.db2.gz AZLZTWQYQAFTPR-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)(C)c1nc(CCNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000824141043 608438298 /nfs/dbraw/zinc/43/82/98/608438298.db2.gz AZLZTWQYQAFTPR-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CCc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1O ZINC000825716947 608820179 /nfs/dbraw/zinc/82/01/79/608820179.db2.gz FBKGGBSPVFQUJE-UHFFFAOYSA-N -1 1 325.328 2.093 20 0 EEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825183227 609416788 /nfs/dbraw/zinc/41/67/88/609416788.db2.gz NXVGAFSIJJTXBF-CMPLNLGQSA-N -1 1 331.376 2.106 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCCCSc2ccccc2)n1 ZINC000043107746 676110413 /nfs/dbraw/zinc/11/04/13/676110413.db2.gz PYLNOPIYXADUAU-UHFFFAOYSA-N -1 1 333.417 2.294 20 0 EEADMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000016099516 675400368 /nfs/dbraw/zinc/40/03/68/675400368.db2.gz PRLPHZZHKZYHEZ-UHFFFAOYSA-N -1 1 347.227 2.128 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C1CCCC1 ZINC001020737218 675462201 /nfs/dbraw/zinc/46/22/01/675462201.db2.gz ZNASGVRTMZBQQE-ZFWWWQNUSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1nc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)c3ccccc3O)C2)o1 ZINC000971108229 676378357 /nfs/dbraw/zinc/37/83/57/676378357.db2.gz JKTGGQWZJAOXOE-AWEZNQCLSA-N -1 1 329.400 2.344 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc2c1OCCCO2 ZINC000891616099 676723478 /nfs/dbraw/zinc/72/34/78/676723478.db2.gz YPKNUGGUONLWQT-UHFFFAOYSA-N -1 1 341.367 2.475 20 0 EEADMM O=C(Cc1cnn(-c2ccccc2)c1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891626158 676734592 /nfs/dbraw/zinc/73/45/92/676734592.db2.gz MDMKJCCVWNVSRZ-UHFFFAOYSA-N -1 1 349.394 2.428 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000891631163 676737817 /nfs/dbraw/zinc/73/78/17/676737817.db2.gz MONUCXCQTQBONM-UHFFFAOYSA-N -1 1 327.340 2.085 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C(=O)OC(C)C)CC1 ZINC000924396131 677806855 /nfs/dbraw/zinc/80/68/55/677806855.db2.gz QGNHXRJFZZMWDN-UHFFFAOYSA-N -1 1 349.431 2.418 20 0 EEADMM COCc1nc(NCCc2ccc(OC)c(OC)c2OC)cc(=O)[n-]1 ZINC000892301261 678659547 /nfs/dbraw/zinc/65/95/47/678659547.db2.gz WIVIZDGGJOYZRE-UHFFFAOYSA-N -1 1 349.387 2.009 20 0 EEADMM Cc1csc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001024407525 679891914 /nfs/dbraw/zinc/89/19/14/679891914.db2.gz OKQXNOMPRDYPJD-CYBMUJFWSA-N -1 1 346.456 2.337 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@H](C)C1CC1 ZINC000984802318 685289380 /nfs/dbraw/zinc/28/93/80/685289380.db2.gz IZLPYBSERDQHHB-AEGPPILISA-N -1 1 345.443 2.333 20 0 EEADMM O=C([C@@H]1CCC=CCCC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024997874 681691660 /nfs/dbraw/zinc/69/16/60/681691660.db2.gz AZXGZHYSLBHCGQ-HUUCEWRRSA-N -1 1 347.463 2.118 20 0 EEADMM CN(C(=O)C1(C)CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937220913 681727915 /nfs/dbraw/zinc/72/79/15/681727915.db2.gz VYSWYPNYRZNZSD-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1oc(-c2ccccc2)nc1C(=O)NCc1n[n-]c(=S)n1C ZINC000066625820 681740494 /nfs/dbraw/zinc/74/04/94/681740494.db2.gz YVECNMNEXHOQCR-UHFFFAOYSA-N -1 1 329.385 2.371 20 0 EEADMM CC(C)c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(=O)[nH]1 ZINC000924082698 681969973 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/nfs/dbraw/zinc/21/51/29/1333215129.db2.gz OPRSUSUEOZCKKA-UHFFFAOYSA-N -1 1 334.339 2.386 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1c(F)cccc1F ZINC001609072611 1351831481 /nfs/dbraw/zinc/83/14/81/1351831481.db2.gz XSJBCISFNONPGM-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001609072611 1351831482 /nfs/dbraw/zinc/83/14/82/1351831482.db2.gz XSJBCISFNONPGM-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1ccc(N(C)C)cc1 ZINC001323741064 1333528710 /nfs/dbraw/zinc/52/87/10/1333528710.db2.gz FHNLMNPBPJDEEC-UHFFFAOYSA-N -1 1 346.456 2.251 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001609132512 1351854598 /nfs/dbraw/zinc/85/45/98/1351854598.db2.gz XYXGDUUTCQTPHU-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001609132512 1351854601 /nfs/dbraw/zinc/85/46/01/1351854601.db2.gz XYXGDUUTCQTPHU-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609152654 1351864229 /nfs/dbraw/zinc/86/42/29/1351864229.db2.gz HVHFEFUHLQVHBE-VXNVDRBHSA-N -1 1 343.284 2.419 20 0 EEADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609152654 1351864234 /nfs/dbraw/zinc/86/42/34/1351864234.db2.gz HVHFEFUHLQVHBE-VXNVDRBHSA-N -1 1 343.284 2.419 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)c2c(O)cccc21 ZINC001609168253 1351875184 /nfs/dbraw/zinc/87/51/84/1351875184.db2.gz UYOHBKYUEHSRGE-JTQLQIEISA-N -1 1 336.355 2.121 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)c2c(O)cccc21 ZINC001609168253 1351875190 /nfs/dbraw/zinc/87/51/90/1351875190.db2.gz UYOHBKYUEHSRGE-JTQLQIEISA-N -1 1 336.355 2.121 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609188520 1351882040 /nfs/dbraw/zinc/88/20/40/1351882040.db2.gz RFBHPNSCWUINBN-ZETCQYMHSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609188520 1351882042 /nfs/dbraw/zinc/88/20/42/1351882042.db2.gz RFBHPNSCWUINBN-ZETCQYMHSA-N -1 1 329.286 2.114 20 0 EEADMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001326514872 1334108081 /nfs/dbraw/zinc/10/80/81/1334108081.db2.gz AQRHWSPFMKPZRS-QMMMGPOBSA-N -1 1 349.243 2.031 20 0 EEADMM CCCN(CC)C(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001326868469 1334173965 /nfs/dbraw/zinc/17/39/65/1334173965.db2.gz ZFDJRVPZHYFQTC-UHFFFAOYSA-N -1 1 346.427 2.072 20 0 EEADMM CCc1cccc2c1OCC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609253090 1351910118 /nfs/dbraw/zinc/91/01/18/1351910118.db2.gz OMBIKRWSJZPVEN-GFCCVEGCSA-N -1 1 342.428 2.499 20 0 EEADMM CCc1cccc2c1OCC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609253090 1351910122 /nfs/dbraw/zinc/91/01/22/1351910122.db2.gz OMBIKRWSJZPVEN-GFCCVEGCSA-N -1 1 342.428 2.499 20 0 EEADMM CO[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001609307709 1351926820 /nfs/dbraw/zinc/92/68/20/1351926820.db2.gz NQEQQLRIMFUDPQ-MRXNPFEDSA-N -1 1 343.412 2.220 20 0 EEADMM CO[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001609307709 1351926822 /nfs/dbraw/zinc/92/68/22/1351926822.db2.gz NQEQQLRIMFUDPQ-MRXNPFEDSA-N -1 1 343.412 2.220 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609310117 1351927426 /nfs/dbraw/zinc/92/74/26/1351927426.db2.gz DIZSMWCDYQXRCS-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609310117 1351927428 /nfs/dbraw/zinc/92/74/28/1351927428.db2.gz DIZSMWCDYQXRCS-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC001609310231 1351927726 /nfs/dbraw/zinc/92/77/26/1351927726.db2.gz FANSTLFXOGLBNO-NSHDSACASA-N -1 1 347.375 2.185 20 0 EEADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC001609310231 1351927731 /nfs/dbraw/zinc/92/77/31/1351927731.db2.gz FANSTLFXOGLBNO-NSHDSACASA-N -1 1 347.375 2.185 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609311654 1351928652 /nfs/dbraw/zinc/92/86/52/1351928652.db2.gz ZWCILJDRYDGTGW-BDJLRTHQSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609311654 1351928656 /nfs/dbraw/zinc/92/86/56/1351928656.db2.gz ZWCILJDRYDGTGW-BDJLRTHQSA-N -1 1 342.378 2.319 20 0 EEADMM CSc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001609372823 1351950801 /nfs/dbraw/zinc/95/08/01/1351950801.db2.gz LERXENCXNOKIMD-UHFFFAOYSA-N -1 1 329.385 2.420 20 0 EEADMM CSc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001609372823 1351950805 /nfs/dbraw/zinc/95/08/05/1351950805.db2.gz LERXENCXNOKIMD-UHFFFAOYSA-N -1 1 329.385 2.420 20 0 EEADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)c(OC(F)F)cc1C ZINC001609401326 1351961607 /nfs/dbraw/zinc/96/16/07/1351961607.db2.gz GFNCDJZOQCFBGZ-UHFFFAOYSA-N -1 1 335.318 2.420 20 0 EEADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)c(OC(F)F)cc1C ZINC001609401326 1351961609 /nfs/dbraw/zinc/96/16/09/1351961609.db2.gz GFNCDJZOQCFBGZ-UHFFFAOYSA-N -1 1 335.318 2.420 20 0 EEADMM Cc1ccc(-c2cnc(Cn3ccn4ncc(-c5nn[n-]n5)c34)o2)cc1 ZINC001609413511 1351966806 /nfs/dbraw/zinc/96/68/06/1351966806.db2.gz CBZJNSUBHLNEHX-UHFFFAOYSA-N -1 1 346.354 2.328 20 0 EEADMM Cc1[nH]nc(NC(=O)C(C)(C)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001609420093 1351968950 /nfs/dbraw/zinc/96/89/50/1351968950.db2.gz RJUWKGRVTKBECX-UHFFFAOYSA-N -1 1 325.376 2.123 20 0 EEADMM Cc1ccn(Cc2csc(CCC(C)C)n2)c(=O)c1-c1nn[n-]n1 ZINC001609437849 1351977120 /nfs/dbraw/zinc/97/71/20/1351977120.db2.gz DLVBEJFYDZECAH-UHFFFAOYSA-N -1 1 344.444 2.430 20 0 EEADMM Cc1nsc(NC(=O)N[C@H](C)c2cnccc2C)c1-c1nnn[n-]1 ZINC001609439248 1351977780 /nfs/dbraw/zinc/97/77/80/1351977780.db2.gz UFTQWTCDBJTMIW-MRVPVSSYSA-N -1 1 344.404 2.218 20 0 EEADMM Cc1nsc(NC(=O)N[C@H](C)c2cnccc2C)c1-c1nn[n-]n1 ZINC001609439248 1351977783 /nfs/dbraw/zinc/97/77/83/1351977783.db2.gz UFTQWTCDBJTMIW-MRVPVSSYSA-N -1 1 344.404 2.218 20 0 EEADMM Cc1onc(CC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC001609470692 1351990183 /nfs/dbraw/zinc/99/01/83/1351990183.db2.gz KIBRSBULEIDNGY-HNNXBMFYSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC001609470692 1351990185 /nfs/dbraw/zinc/99/01/85/1351990185.db2.gz KIBRSBULEIDNGY-HNNXBMFYSA-N -1 1 344.419 2.133 20 0 EEADMM Clc1cccc([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001609473848 1351991206 /nfs/dbraw/zinc/99/12/06/1351991206.db2.gz OHTMKUSUPGVHRI-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001609473848 1351991207 /nfs/dbraw/zinc/99/12/07/1351991207.db2.gz OHTMKUSUPGVHRI-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1scnc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001609475234 1351991667 /nfs/dbraw/zinc/99/16/67/1351991667.db2.gz UDVDRLHFWBATRB-UHFFFAOYSA-N -1 1 332.736 2.089 20 0 EEADMM Clc1scnc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001609475234 1351991668 /nfs/dbraw/zinc/99/16/68/1351991668.db2.gz UDVDRLHFWBATRB-UHFFFAOYSA-N -1 1 332.736 2.089 20 0 EEADMM Clc1nc(N2CCC[C@@H](n3ccnc3)C2)sc1-c1nn[n-]n1 ZINC001609474868 1351991693 /nfs/dbraw/zinc/99/16/93/1351991693.db2.gz XFTMFQVYCBFSQT-MRVPVSSYSA-N -1 1 336.812 2.015 20 0 EEADMM FC(F)(F)Cc1nnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001609484095 1351993959 /nfs/dbraw/zinc/99/39/59/1351993959.db2.gz QMFWMJNUKJRXNE-UHFFFAOYSA-N -1 1 347.351 2.497 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609555590 1352015677 /nfs/dbraw/zinc/01/56/77/1352015677.db2.gz HOCPMHLVIRWWRT-UHFFFAOYSA-N -1 1 325.397 2.347 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609555590 1352015682 /nfs/dbraw/zinc/01/56/82/1352015682.db2.gz HOCPMHLVIRWWRT-UHFFFAOYSA-N -1 1 325.397 2.347 20 0 EEADMM O=C(Nc1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609564492 1352017225 /nfs/dbraw/zinc/01/72/25/1352017225.db2.gz LLRDSIBPDZPOFG-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=Cc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC001609591767 1352029025 /nfs/dbraw/zinc/02/90/25/1352029025.db2.gz YJXOFOXFHWNZRH-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC001609591767 1352029027 /nfs/dbraw/zinc/02/90/27/1352029027.db2.gz YJXOFOXFHWNZRH-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC001609634844 1352046737 /nfs/dbraw/zinc/04/67/37/1352046737.db2.gz MBSGTVQUMCMUMW-NSHDSACASA-N -1 1 347.390 2.076 20 0 EEADMM C[C@@H](C(=O)Nc1nccs1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001609637643 1352047663 /nfs/dbraw/zinc/04/76/63/1352047663.db2.gz FDGUCPIVBQXTBJ-SJCJKPOMSA-N -1 1 345.424 2.198 20 0 EEADMM CC(C)(C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609651279 1352050419 /nfs/dbraw/zinc/05/04/19/1352050419.db2.gz BRHODYARSWKVGP-JTQLQIEISA-N -1 1 344.289 2.426 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001609691028 1352060976 /nfs/dbraw/zinc/06/09/76/1352060976.db2.gz RYAWJSCTCHUZFD-CYBMUJFWSA-N -1 1 341.358 2.467 20 0 EEADMM C[C@H](CN(CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)C1CC1)C(=O)[O-] ZINC001609741762 1352073846 /nfs/dbraw/zinc/07/38/46/1352073846.db2.gz MUWJMBQDXYJAGG-DOMZBBRYSA-N -1 1 331.416 2.134 20 0 EEADMM C[C@@H](NCCC(=O)N1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001609779405 1352083882 /nfs/dbraw/zinc/08/38/82/1352083882.db2.gz PRUMARMSVDPJMV-LLVKDONJSA-N -1 1 345.424 2.471 20 0 EEADMM CC(C)c1oc(-c2ccccc2)nc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001338003972 1336772894 /nfs/dbraw/zinc/77/28/94/1336772894.db2.gz FPVPWBZXAPUGQX-UHFFFAOYSA-N -1 1 342.355 2.244 20 0 EEADMM C[C@@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@H](C2CC2)O1 ZINC001338182454 1336811019 /nfs/dbraw/zinc/81/10/19/1336811019.db2.gz VTNJMHUOXLCESW-NOZJJQNGSA-N -1 1 349.822 2.240 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001339800106 1337074889 /nfs/dbraw/zinc/07/48/89/1337074889.db2.gz CVXPLXZDSFJAQQ-GXFFZTMASA-N -1 1 349.822 2.241 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N(C)c1cccc(C(C)C)c1 ZINC001341050651 1337277792 /nfs/dbraw/zinc/27/77/92/1337277792.db2.gz AYKHXXOMGGHXMS-UHFFFAOYSA-N -1 1 326.408 2.293 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N(C)c1cccc(C(C)C)c1 ZINC001341050651 1337277793 /nfs/dbraw/zinc/27/77/93/1337277793.db2.gz AYKHXXOMGGHXMS-UHFFFAOYSA-N -1 1 326.408 2.293 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2CO)ccc1F ZINC001200550948 1338412831 /nfs/dbraw/zinc/41/28/31/1338412831.db2.gz HYWKUICDOFJMOS-UHFFFAOYSA-N -1 1 329.324 2.267 20 0 EEADMM CS(=O)(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001610376679 1352213098 /nfs/dbraw/zinc/21/30/98/1352213098.db2.gz QGJKTORUPSTNNI-ZDUSSCGKSA-N -1 1 340.426 2.035 20 0 EEADMM C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])co2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001610397613 1352216493 /nfs/dbraw/zinc/21/64/93/1352216493.db2.gz LSKMYZWEIOJYEE-AUTRQRHGSA-N -1 1 348.321 2.255 20 0 EEADMM C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])co2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001610397613 1352216497 /nfs/dbraw/zinc/21/64/97/1352216497.db2.gz LSKMYZWEIOJYEE-AUTRQRHGSA-N -1 1 348.321 2.255 20 0 EEADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC001610397613 1352216501 /nfs/dbraw/zinc/21/65/01/1352216501.db2.gz LSKMYZWEIOJYEE-AUTRQRHGSA-N -1 1 348.321 2.255 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001610514897 1352236641 /nfs/dbraw/zinc/23/66/41/1352236641.db2.gz SCJULONVGWXMID-BHYGNILZSA-N -1 1 345.443 2.041 20 0 EEADMM Cc1cccc2cc(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)sc21 ZINC001610527530 1352239151 /nfs/dbraw/zinc/23/91/51/1352239151.db2.gz NFAHXKWYUDRFEQ-ZDUSSCGKSA-N -1 1 332.425 2.298 20 0 EEADMM O=C([O-])c1c(F)ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1F ZINC001610706301 1352262374 /nfs/dbraw/zinc/26/23/74/1352262374.db2.gz BKGFIQJPNWTSHT-ZETCQYMHSA-N -1 1 336.298 2.065 20 0 EEADMM O=C([O-])C[C@]1(NCc2nn(-c3ccccc3)c3c2CCC3)CCOC1 ZINC001610759246 1352270007 /nfs/dbraw/zinc/27/00/07/1352270007.db2.gz IRMRFUJMPZVWEL-LJQANCHMSA-N -1 1 341.411 2.084 20 0 EEADMM CC(C)CCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428540034 1339560626 /nfs/dbraw/zinc/56/06/26/1339560626.db2.gz MWZUFQITWBNYOK-LSDHHAIUSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C1C(C)(C)C1(C)C)NC(=O)c1ncccc1[O-] ZINC001428562379 1339570508 /nfs/dbraw/zinc/57/05/08/1339570508.db2.gz JBAIYXDVOOVYEX-RYUDHWBXSA-N -1 1 347.459 2.483 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)o1 ZINC001610821713 1352280470 /nfs/dbraw/zinc/28/04/70/1352280470.db2.gz PNJHCPWLLVCDTG-GFCCVEGCSA-N -1 1 334.759 2.418 20 0 EEADMM O=C(Cc1noc2ccccc21)OCC(=O)c1ccc([O-])cc1O ZINC000018346233 1352358227 /nfs/dbraw/zinc/35/82/27/1352358227.db2.gz ZZVGUNYREGLVEF-UHFFFAOYSA-N -1 1 327.292 2.208 20 0 EEADMM CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)c(O)c1)c1nc(=O)o[n-]1 ZINC001434121632 1341769270 /nfs/dbraw/zinc/76/92/70/1341769270.db2.gz XTJZQILQJNHCLO-JTQLQIEISA-N -1 1 325.752 2.239 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)sn1 ZINC001434575728 1341877195 /nfs/dbraw/zinc/87/71/95/1341877195.db2.gz MCNIICADMVKDEA-UHFFFAOYSA-N -1 1 348.247 2.088 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)n1 ZINC001436227137 1342015441 /nfs/dbraw/zinc/01/54/41/1342015441.db2.gz MLHXHGVVZKTDSN-UHFFFAOYSA-N -1 1 344.302 2.232 20 0 EEADMM CCC(CC)(CC)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001454514599 1342090002 /nfs/dbraw/zinc/09/00/02/1342090002.db2.gz RUFSJUZKRCURFB-NHAGDIPZSA-N -1 1 345.443 2.190 20 0 EEADMM CCc1nnc([C@H](C)NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)[nH]1 ZINC001563130905 1342541499 /nfs/dbraw/zinc/54/14/99/1342541499.db2.gz TUYKTDUTKBDHPQ-JTQLQIEISA-N -1 1 341.375 2.141 20 0 EEADMM O=C(NC[C@H](NCc1ccon1)c1ccccc1)c1ncccc1[O-] ZINC001567657687 1342805953 /nfs/dbraw/zinc/80/59/53/1342805953.db2.gz PZEBSYHJXRFALA-HNNXBMFYSA-N -1 1 338.367 2.036 20 0 EEADMM CCCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001577213620 1344107211 /nfs/dbraw/zinc/10/72/11/1344107211.db2.gz ITTOVDSYWSHDBS-UHFFFAOYSA-N -1 1 349.464 2.273 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001577301141 1344124618 /nfs/dbraw/zinc/12/46/18/1344124618.db2.gz PCVBPUKKIRUMOO-JTQLQIEISA-N -1 1 341.412 2.110 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001577301141 1344124621 /nfs/dbraw/zinc/12/46/21/1344124621.db2.gz PCVBPUKKIRUMOO-JTQLQIEISA-N -1 1 341.412 2.110 20 0 EEADMM CCCC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CCC1 ZINC001577491308 1344154869 /nfs/dbraw/zinc/15/48/69/1344154869.db2.gz LSFUZEYCBSQDGM-CYBMUJFWSA-N -1 1 344.419 2.364 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001578514731 1344286154 /nfs/dbraw/zinc/28/61/54/1344286154.db2.gz GGJAFINRZZEEPV-UHFFFAOYSA-N -1 1 329.751 2.125 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001578514731 1344286158 /nfs/dbraw/zinc/28/61/58/1344286158.db2.gz GGJAFINRZZEEPV-UHFFFAOYSA-N -1 1 329.751 2.125 20 0 EEADMM COc1cccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001580066636 1344462013 /nfs/dbraw/zinc/46/20/13/1344462013.db2.gz YUHMLYWDXJPMTG-UHFFFAOYSA-N -1 1 343.412 2.186 20 0 EEADMM C[C@@H]1OCCN(Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C(F)(F)F ZINC001580370574 1344515533 /nfs/dbraw/zinc/51/55/33/1344515533.db2.gz RNWUPJQVSKMTKT-XVKPBYJWSA-N -1 1 333.339 2.080 20 0 EEADMM Cc1csc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001581385279 1344622273 /nfs/dbraw/zinc/62/22/73/1344622273.db2.gz MVFSTEBAKLMOAC-ZETCQYMHSA-N -1 1 349.807 2.171 20 0 EEADMM O[C@@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001582813518 1344795664 /nfs/dbraw/zinc/79/56/64/1344795664.db2.gz MFDPETCHOIGNCJ-JTQLQIEISA-N -1 1 325.159 2.104 20 0 EEADMM O[C@@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC001582813518 1344795668 /nfs/dbraw/zinc/79/56/68/1344795668.db2.gz MFDPETCHOIGNCJ-JTQLQIEISA-N -1 1 325.159 2.104 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)c1cccs1 ZINC001588766873 1348933554 /nfs/dbraw/zinc/93/35/54/1348933554.db2.gz XMKZHJMHTSFKQK-FPLPWBNLSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)c1cccs1 ZINC001588766873 1348933559 /nfs/dbraw/zinc/93/35/59/1348933559.db2.gz XMKZHJMHTSFKQK-FPLPWBNLSA-N -1 1 329.389 2.012 20 0 EEADMM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccc2c(c1)OCO2 ZINC001589030565 1348954413 /nfs/dbraw/zinc/95/44/13/1348954413.db2.gz OAQHPCBOPBKDSB-VIFPVBQESA-N -1 1 342.311 2.035 20 0 EEADMM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccc2c(c1)OCO2 ZINC001589030565 1348954415 /nfs/dbraw/zinc/95/44/15/1348954415.db2.gz OAQHPCBOPBKDSB-VIFPVBQESA-N -1 1 342.311 2.035 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589099042 1348958383 /nfs/dbraw/zinc/95/83/83/1348958383.db2.gz HXTZGJXFPTZDMI-STQMWFEESA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589099042 1348958384 /nfs/dbraw/zinc/95/83/84/1348958384.db2.gz HXTZGJXFPTZDMI-STQMWFEESA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CCO1 ZINC001589102293 1348959478 /nfs/dbraw/zinc/95/94/78/1348959478.db2.gz HNVDPLWBFADBDD-LLVKDONJSA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CCO1 ZINC001589102293 1348959481 /nfs/dbraw/zinc/95/94/81/1348959481.db2.gz HNVDPLWBFADBDD-LLVKDONJSA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)C12CCC2 ZINC001589193397 1348969148 /nfs/dbraw/zinc/96/91/48/1348969148.db2.gz RZIUSLBUTXHYIL-VXGBXAGGSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001589203017 1348969611 /nfs/dbraw/zinc/96/96/11/1348969611.db2.gz VMEOZTDIZVKTBS-UHFFFAOYSA-N -1 1 327.348 2.019 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001589228639 1348972813 /nfs/dbraw/zinc/97/28/13/1348972813.db2.gz XEWACKKONBACKL-UHFFFAOYSA-N -1 1 325.376 2.069 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001589228639 1348972815 /nfs/dbraw/zinc/97/28/15/1348972815.db2.gz XEWACKKONBACKL-UHFFFAOYSA-N -1 1 325.376 2.069 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589499982 1348997452 /nfs/dbraw/zinc/99/74/52/1348997452.db2.gz VJKWINZRVLTOPJ-FZMZJTMJSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589499982 1348997453 /nfs/dbraw/zinc/99/74/53/1348997453.db2.gz VJKWINZRVLTOPJ-FZMZJTMJSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589777149 1349038506 /nfs/dbraw/zinc/03/85/06/1349038506.db2.gz MYHCTQHSDAVIKW-UHFFFAOYSA-N -1 1 337.343 2.483 20 0 EEADMM C[C@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589902637 1349059108 /nfs/dbraw/zinc/05/91/08/1349059108.db2.gz RPDOTOUDCOJJKL-SNVBAGLBSA-N -1 1 343.416 2.418 20 0 EEADMM C[C@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589902637 1349059110 /nfs/dbraw/zinc/05/91/10/1349059110.db2.gz RPDOTOUDCOJJKL-SNVBAGLBSA-N -1 1 343.416 2.418 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1c(F)cccc1Cl ZINC001589985608 1349093502 /nfs/dbraw/zinc/09/35/02/1349093502.db2.gz NETPYQMCHWPUFV-XLKFXECMSA-N -1 1 348.769 2.010 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1c(F)cccc1Cl ZINC001589985608 1349093509 /nfs/dbraw/zinc/09/35/09/1349093509.db2.gz NETPYQMCHWPUFV-XLKFXECMSA-N -1 1 348.769 2.010 20 0 EEADMM CC1(C)CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H]1c1cccs1 ZINC001590106253 1349158346 /nfs/dbraw/zinc/15/83/46/1349158346.db2.gz HXDXTDHYTCIFML-ZDUSSCGKSA-N -1 1 342.428 2.131 20 0 EEADMM CC1(c2nsc(NC(=O)c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC001590153489 1349177431 /nfs/dbraw/zinc/17/74/31/1349177431.db2.gz UXFHNYVLIQDCIG-UHFFFAOYSA-N -1 1 345.363 2.161 20 0 EEADMM CC1(c2nsc(NC(=O)c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC001590153489 1349177433 /nfs/dbraw/zinc/17/74/33/1349177433.db2.gz UXFHNYVLIQDCIG-UHFFFAOYSA-N -1 1 345.363 2.161 20 0 EEADMM CC1(c2ccccc2)CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590154459 1349177802 /nfs/dbraw/zinc/17/78/02/1349177802.db2.gz YVUNUSYFHKLYRO-UHFFFAOYSA-N -1 1 325.397 2.342 20 0 EEADMM CC1(c2ccccc2)CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590154459 1349177807 /nfs/dbraw/zinc/17/78/07/1349177807.db2.gz YVUNUSYFHKLYRO-UHFFFAOYSA-N -1 1 325.397 2.342 20 0 EEADMM C[C@@H]1CC(=O)Oc2cc(OCc3ccnc(-c4nnn[n-]4)c3)ccc21 ZINC001590180974 1349183273 /nfs/dbraw/zinc/18/32/73/1349183273.db2.gz ZPGJBWGMYPVDHB-SNVBAGLBSA-N -1 1 337.339 2.253 20 0 EEADMM C[C@@H]1CC(=O)Oc2cc(OCc3ccnc(-c4nn[n-]n4)c3)ccc21 ZINC001590180974 1349183280 /nfs/dbraw/zinc/18/32/80/1349183280.db2.gz ZPGJBWGMYPVDHB-SNVBAGLBSA-N -1 1 337.339 2.253 20 0 EEADMM C[C@H]1CC(F)(F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590192251 1349192641 /nfs/dbraw/zinc/19/26/41/1349192641.db2.gz IWGNAJIYCOPCHM-QMMMGPOBSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@H]1CC(F)(F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590192251 1349192647 /nfs/dbraw/zinc/19/26/47/1349192647.db2.gz IWGNAJIYCOPCHM-QMMMGPOBSA-N -1 1 325.294 2.266 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C(F)(F)F ZINC001590381890 1349294027 /nfs/dbraw/zinc/29/40/27/1349294027.db2.gz JONSDAZADYEJHP-NSHDSACASA-N -1 1 348.716 2.376 20 0 EEADMM CC[C@H](C)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590406503 1349308146 /nfs/dbraw/zinc/30/81/46/1349308146.db2.gz AWBCNHWMVYHLPC-VIFPVBQESA-N -1 1 349.391 2.385 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590508997 1349360491 /nfs/dbraw/zinc/36/04/91/1349360491.db2.gz TZKSJTNXOUOHFN-RYUDHWBXSA-N -1 1 326.404 2.367 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590508997 1349360501 /nfs/dbraw/zinc/36/05/01/1349360501.db2.gz TZKSJTNXOUOHFN-RYUDHWBXSA-N -1 1 326.404 2.367 20 0 EEADMM CCCCCCC(=O)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001590590688 1349374746 /nfs/dbraw/zinc/37/47/46/1349374746.db2.gz SHHWORZOSCOIEF-UHFFFAOYSA-N -1 1 329.404 2.057 20 0 EEADMM CCO[C@@H](Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)C1CC1 ZINC001590785312 1349398729 /nfs/dbraw/zinc/39/87/29/1349398729.db2.gz NGVHIBUFKZLGCP-LBPRGKRZSA-N -1 1 331.401 2.058 20 0 EEADMM CCc1nc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cs1 ZINC001590913654 1349410418 /nfs/dbraw/zinc/41/04/18/1349410418.db2.gz CSQMZAHAXXFOBW-UHFFFAOYSA-N -1 1 328.405 2.165 20 0 EEADMM CCc1nc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cs1 ZINC001590913654 1349410429 /nfs/dbraw/zinc/41/04/29/1349410429.db2.gz CSQMZAHAXXFOBW-UHFFFAOYSA-N -1 1 328.405 2.165 20 0 EEADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001591383104 1349478124 /nfs/dbraw/zinc/47/81/24/1349478124.db2.gz UXXABRHLZGEKLY-AWEZNQCLSA-N -1 1 337.387 2.334 20 0 EEADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001591383104 1349478131 /nfs/dbraw/zinc/47/81/31/1349478131.db2.gz UXXABRHLZGEKLY-AWEZNQCLSA-N -1 1 337.387 2.334 20 0 EEADMM COc1c(C)cnc(CN(C)c2cc(C)nc(-c3nn[n-]n3)c2)c1C ZINC001591480219 1349490749 /nfs/dbraw/zinc/49/07/49/1349490749.db2.gz ZUZHGWRPDULFLO-UHFFFAOYSA-N -1 1 339.403 2.227 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591540017 1349501826 /nfs/dbraw/zinc/50/18/26/1349501826.db2.gz MZBNALPRYQXILY-UHFFFAOYSA-N -1 1 345.746 2.072 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591540017 1349501832 /nfs/dbraw/zinc/50/18/32/1349501832.db2.gz MZBNALPRYQXILY-UHFFFAOYSA-N -1 1 345.746 2.072 20 0 EEADMM COc1cc(Cl)ccc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591539674 1349502252 /nfs/dbraw/zinc/50/22/52/1349502252.db2.gz DDMFWARXMCTOSU-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cc(Cl)ccc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591539674 1349502257 /nfs/dbraw/zinc/50/22/57/1349502257.db2.gz DDMFWARXMCTOSU-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cccc2c1CCCCN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591643059 1349521001 /nfs/dbraw/zinc/52/10/01/1349521001.db2.gz WBOQHJDLUJQXGY-UHFFFAOYSA-N -1 1 339.355 2.451 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N(C)CC2CC2)c1-c1nn[n-]n1 ZINC001591716746 1349535275 /nfs/dbraw/zinc/53/52/75/1349535275.db2.gz AGAFYZKIAXCHDS-UHFFFAOYSA-N -1 1 344.444 2.343 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC(C)(C)CO ZINC001591974106 1349574073 /nfs/dbraw/zinc/57/40/73/1349574073.db2.gz GVQZRUFDJXIFCD-UHFFFAOYSA-N -1 1 347.806 2.162 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3cccc(-c4nnn[n-]4)n3)c[nH]c2c1 ZINC001592200387 1349606990 /nfs/dbraw/zinc/60/69/90/1349606990.db2.gz QKWLJADANFGIEM-UHFFFAOYSA-N -1 1 333.355 2.233 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3cccc(-c4nn[n-]n4)n3)c[nH]c2c1 ZINC001592200387 1349606994 /nfs/dbraw/zinc/60/69/94/1349606994.db2.gz QKWLJADANFGIEM-UHFFFAOYSA-N -1 1 333.355 2.233 20 0 EEADMM Cc1cnn(-c2ccc(Oc3nc(C)cc(-c4nnn[n-]4)n3)cc2)c1 ZINC001592301338 1349618817 /nfs/dbraw/zinc/61/88/17/1349618817.db2.gz UISGNQGNBKRRBM-UHFFFAOYSA-N -1 1 334.343 2.252 20 0 EEADMM Cc1cnn(-c2ccc(Oc3nc(C)cc(-c4nn[n-]n4)n3)cc2)c1 ZINC001592301338 1349618818 /nfs/dbraw/zinc/61/88/18/1349618818.db2.gz UISGNQGNBKRRBM-UHFFFAOYSA-N -1 1 334.343 2.252 20 0 EEADMM Cc1nc(NC[C@H](C)COCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592384872 1349626166 /nfs/dbraw/zinc/62/61/66/1349626166.db2.gz VMBFKXLLDKYVJH-LBPRGKRZSA-N -1 1 339.403 2.230 20 0 EEADMM Cc1nc(NC[C@H](C)COCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592384872 1349626168 /nfs/dbraw/zinc/62/61/68/1349626168.db2.gz VMBFKXLLDKYVJH-LBPRGKRZSA-N -1 1 339.403 2.230 20 0 EEADMM Cc1nc(NCc2ccc(-c3cnco3)cc2)cc(-c2nnn[n-]2)n1 ZINC001592395529 1349627218 /nfs/dbraw/zinc/62/72/18/1349627218.db2.gz HAGZTNUZLOFYLF-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1nc(NCc2ccc(-c3cnco3)cc2)cc(-c2nn[n-]n2)n1 ZINC001592395529 1349627226 /nfs/dbraw/zinc/62/72/26/1349627226.db2.gz HAGZTNUZLOFYLF-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1nn(CCSC2CCCCC2)c(=O)c(-c2nn[n-]n2)c1C ZINC001592436865 1349631969 /nfs/dbraw/zinc/63/19/69/1349631969.db2.gz DOMCYQDSJVNSHR-UHFFFAOYSA-N -1 1 334.449 2.106 20 0 EEADMM Cc1nsc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592479899 1349635944 /nfs/dbraw/zinc/63/59/44/1349635944.db2.gz RRGUQHJLPUWGCS-PSASIEDQSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592479899 1349635945 /nfs/dbraw/zinc/63/59/45/1349635945.db2.gz RRGUQHJLPUWGCS-PSASIEDQSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(-c2ccco2)nn1C ZINC001592502165 1349638230 /nfs/dbraw/zinc/63/82/30/1349638230.db2.gz ZKOAOQJSOPSLOH-UHFFFAOYSA-N -1 1 339.315 2.014 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(-c2ccco2)nn1C ZINC001592502165 1349638231 /nfs/dbraw/zinc/63/82/31/1349638231.db2.gz ZKOAOQJSOPSLOH-UHFFFAOYSA-N -1 1 339.315 2.014 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001592503625 1349640655 /nfs/dbraw/zinc/64/06/55/1349640655.db2.gz VZLMYABKLSUDEE-QWHCGFSZSA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001592503625 1349640659 /nfs/dbraw/zinc/64/06/59/1349640659.db2.gz VZLMYABKLSUDEE-QWHCGFSZSA-N -1 1 327.747 2.203 20 0 EEADMM Clc1sc(NC[C@H]2CCC3(CCC3)O2)nc1-c1nn[n-]n1 ZINC001592543441 1349655093 /nfs/dbraw/zinc/65/50/93/1349655093.db2.gz OHIZJLVSBVLNMV-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCc2ccccc2Cl)n1 ZINC001592558825 1349657400 /nfs/dbraw/zinc/65/74/00/1349657400.db2.gz HMYXHZUTEBFBPZ-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCc2ccccc2Cl)n1 ZINC001592558825 1349657402 /nfs/dbraw/zinc/65/74/02/1349657402.db2.gz HMYXHZUTEBFBPZ-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM Cn1cnc2cc(Nc3cc(-c4nn[n-]n4)nc(C4CC4)n3)ccc21 ZINC001592587946 1349664473 /nfs/dbraw/zinc/66/44/73/1349664473.db2.gz AAFBHNWQKGGBHA-UHFFFAOYSA-N -1 1 333.359 2.164 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592623040 1349676360 /nfs/dbraw/zinc/67/63/60/1349676360.db2.gz BCROEPSENDXNKA-ZCFIWIBFSA-N -1 1 349.798 2.118 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592649149 1349693947 /nfs/dbraw/zinc/69/39/47/1349693947.db2.gz GSDDXBWDOINEIN-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592649149 1349693950 /nfs/dbraw/zinc/69/39/50/1349693950.db2.gz GSDDXBWDOINEIN-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592648642 1349694030 /nfs/dbraw/zinc/69/40/30/1349694030.db2.gz UZOKCWKBDPKGES-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592648642 1349694036 /nfs/dbraw/zinc/69/40/36/1349694036.db2.gz UZOKCWKBDPKGES-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592656651 1349701808 /nfs/dbraw/zinc/70/18/08/1349701808.db2.gz IBWCYHXAJSSNDF-CABZTGNLSA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592656651 1349701814 /nfs/dbraw/zinc/70/18/14/1349701814.db2.gz IBWCYHXAJSSNDF-CABZTGNLSA-N -1 1 330.754 2.444 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001593259506 1349753610 /nfs/dbraw/zinc/75/36/10/1349753610.db2.gz BFGIDDDOVDDFBS-KGLIPLIRSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@]12C[C@H]1CCCC2 ZINC001593263865 1349755238 /nfs/dbraw/zinc/75/52/38/1349755238.db2.gz GZMIULVUVQUEOD-SREIQFSDSA-N -1 1 339.812 2.431 20 0 EEADMM O=C(Nc1nccc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593268777 1349755635 /nfs/dbraw/zinc/75/56/35/1349755635.db2.gz UIERXDZCABRSTA-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OC1CC1 ZINC001593302060 1349773998 /nfs/dbraw/zinc/77/39/98/1349773998.db2.gz MUGUZYRUAMRGDK-UHFFFAOYSA-N -1 1 337.339 2.160 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1OC1CC1 ZINC001593302060 1349774002 /nfs/dbraw/zinc/77/40/02/1349774002.db2.gz MUGUZYRUAMRGDK-UHFFFAOYSA-N -1 1 337.339 2.160 20 0 EEADMM O=C(Oc1cccc2c1OCCC2)c1sccc1-c1nn[n-]n1 ZINC001593309448 1349777347 /nfs/dbraw/zinc/77/73/47/1349777347.db2.gz GLPLHUSETRYDSS-UHFFFAOYSA-N -1 1 328.353 2.472 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CC1CCC1)CC(F)(F)F ZINC001593340223 1349784457 /nfs/dbraw/zinc/78/44/57/1349784457.db2.gz GVZRJFJCHOXRAY-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CC1CCC1)CC(F)(F)F ZINC001593340223 1349784461 /nfs/dbraw/zinc/78/44/61/1349784461.db2.gz GVZRJFJCHOXRAY-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(Cc1ccco1)C1CCCC1 ZINC001593359203 1349790457 /nfs/dbraw/zinc/79/04/57/1349790457.db2.gz XVLKYLPHCBKCSF-UHFFFAOYSA-N -1 1 338.371 2.440 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(Cc1ccco1)C1CCCC1 ZINC001593359203 1349790466 /nfs/dbraw/zinc/79/04/66/1349790466.db2.gz XVLKYLPHCBKCSF-UHFFFAOYSA-N -1 1 338.371 2.440 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1COCC[C@H]1c1ccccc1 ZINC001593370171 1349791542 /nfs/dbraw/zinc/79/15/42/1349791542.db2.gz KEEGNZWCTWXNIE-ZDUSSCGKSA-N -1 1 341.396 2.490 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccnc1 ZINC001593372088 1349793089 /nfs/dbraw/zinc/79/30/89/1349793089.db2.gz ZKBQUGSFVPYORZ-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc(Cl)cc1F)CCC2 ZINC001593490343 1349817397 /nfs/dbraw/zinc/81/73/97/1349817397.db2.gz FJSZUTSEYUEVTQ-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@@H](O)C1CCCCC1 ZINC001593494116 1349819651 /nfs/dbraw/zinc/81/96/51/1349819651.db2.gz JUVJKGBBIBHRRS-MRXNPFEDSA-N -1 1 339.399 2.123 20 0 EEADMM O[C@@H](CCc1ccccc1)COc1cccc(F)c1-c1nnn[n-]1 ZINC001593503317 1349822685 /nfs/dbraw/zinc/82/26/85/1349822685.db2.gz ZGFSNUQVFAZATO-ZDUSSCGKSA-N -1 1 328.347 2.378 20 0 EEADMM O[C@@H](CCc1ccccc1)COc1cccc(F)c1-c1nn[n-]n1 ZINC001593503317 1349822688 /nfs/dbraw/zinc/82/26/88/1349822688.db2.gz ZGFSNUQVFAZATO-ZDUSSCGKSA-N -1 1 328.347 2.378 20 0 EEADMM Cc1cc(C)c2cc(C(=O)N3CC[N@H+](C)C[C@@H](C(=O)[O-])C3)sc2n1 ZINC001600165994 1349984030 /nfs/dbraw/zinc/98/40/30/1349984030.db2.gz MUZVXIZQLVOPIP-GFCCVEGCSA-N -1 1 347.440 2.002 20 0 EEADMM Cc1cc(C)c2cc(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)sc2n1 ZINC001600165994 1349984031 /nfs/dbraw/zinc/98/40/31/1349984031.db2.gz MUZVXIZQLVOPIP-GFCCVEGCSA-N -1 1 347.440 2.002 20 0 EEADMM Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001600261640 1350005059 /nfs/dbraw/zinc/00/50/59/1350005059.db2.gz GAEVASNZFGTSID-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001600353746 1350027117 /nfs/dbraw/zinc/02/71/17/1350027117.db2.gz XGFVGHMJSZWVNJ-ZUEVXXBESA-N -1 1 346.427 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn2c1CCCC2 ZINC001600364644 1350030621 /nfs/dbraw/zinc/03/06/21/1350030621.db2.gz RQMJXALPCQWRLA-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(N(C)C)n1 ZINC001600464019 1350058001 /nfs/dbraw/zinc/05/80/01/1350058001.db2.gz MNUOVCWHBRKNOM-UHFFFAOYSA-N -1 1 349.412 2.263 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC001600460606 1350058048 /nfs/dbraw/zinc/05/80/48/1350058048.db2.gz YVFWMJAJXGOCLE-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001600521200 1350071985 /nfs/dbraw/zinc/07/19/85/1350071985.db2.gz AMXROPSKFQMWCP-RRFJBIMHSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2o1 ZINC001600727815 1350122554 /nfs/dbraw/zinc/12/25/54/1350122554.db2.gz XNZBYWHYEUFBHR-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600769043 1350132023 /nfs/dbraw/zinc/13/20/23/1350132023.db2.gz KPGUHQNBBITWON-MRVPVSSYSA-N -1 1 341.371 2.354 20 0 EEADMM Cc1oc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1C(=O)[O-] ZINC001600846128 1350150121 /nfs/dbraw/zinc/15/01/21/1350150121.db2.gz WLPFYDJOYKBLIS-UHFFFAOYSA-N -1 1 348.321 2.177 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H](O)c2ccccn2)nc1C(=O)[O-] ZINC001600884072 1350159817 /nfs/dbraw/zinc/15/98/17/1350159817.db2.gz YPBVKTHIYSEZDU-CHWSQXEVSA-N -1 1 333.413 2.415 20 0 EEADMM Cn1ncc(C2CC2)c1CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601026729 1350193214 /nfs/dbraw/zinc/19/32/14/1350193214.db2.gz PRMMPQZZXYBBMZ-UHFFFAOYSA-N -1 1 330.388 2.363 20 0 EEADMM NC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001601143523 1350220010 /nfs/dbraw/zinc/22/00/10/1350220010.db2.gz JPVAINXSUIPCIA-GFCCVEGCSA-N -1 1 331.199 2.316 20 0 EEADMM NC(=O)CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001601150107 1350220862 /nfs/dbraw/zinc/22/08/62/1350220862.db2.gz CNZPWMABJPRYPA-UHFFFAOYSA-N -1 1 330.359 2.402 20 0 EEADMM N[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001601171521 1350224797 /nfs/dbraw/zinc/22/47/97/1350224797.db2.gz DCVOVZJDNMFCHK-LBPRGKRZSA-N -1 1 342.273 2.313 20 0 EEADMM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)Nc1cccc2c1CN(C1CC1)C2 ZINC001601284915 1350248786 /nfs/dbraw/zinc/24/87/86/1350248786.db2.gz GQDSDEFABALKSI-DZGCQCFKSA-N -1 1 344.411 2.373 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001601311117 1350254544 /nfs/dbraw/zinc/25/45/44/1350254544.db2.gz SZCTWGKZHFPEJJ-NWDGAFQWSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3occ4c3CCOC4)[nH]c21 ZINC001601632157 1350324268 /nfs/dbraw/zinc/32/42/68/1350324268.db2.gz VARVOAVHWRVWHN-UHFFFAOYSA-N -1 1 327.296 2.179 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)N[C@H](C(F)F)C2CCCCC2)CCC1 ZINC001601712966 1350345398 /nfs/dbraw/zinc/34/53/98/1350345398.db2.gz NXWZPGGWVQPWSN-NSHDSACASA-N -1 1 339.404 2.375 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccccn3)no2)[C@@H]2CCC[C@@H]21 ZINC001601828450 1350375175 /nfs/dbraw/zinc/37/51/75/1350375175.db2.gz XVUDZPAUPQFOKS-YRGRVCCFSA-N -1 1 328.372 2.207 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1c[nH]c2ccccc2c1=O ZINC001601866806 1350385556 /nfs/dbraw/zinc/38/55/56/1350385556.db2.gz HOTAONLUOKCFBH-KRWDZBQOSA-N -1 1 348.358 2.180 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)c2cccc3nc(CO)[nH]c32)cc1 ZINC001602040737 1350424566 /nfs/dbraw/zinc/42/45/66/1350424566.db2.gz YHZWNHFSTHOYBO-UHFFFAOYSA-N -1 1 339.351 2.325 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCN1CC[C@@H](F)C1 ZINC001602174276 1350457974 /nfs/dbraw/zinc/45/79/74/1350457974.db2.gz NOHJFZDGVXDTGY-PMPSAXMXSA-N -1 1 334.391 2.237 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2cn(C3CCC3)nn2)C[C@H]1c1ccc(O)cc1 ZINC001602189681 1350461028 /nfs/dbraw/zinc/46/10/28/1350461028.db2.gz MTBFSLZZMFTNIQ-DLBZAZTESA-N -1 1 342.399 2.009 20 0 EEADMM O=C([O-])c1cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)cc(Cl)c1F ZINC001602280745 1350484823 /nfs/dbraw/zinc/48/48/23/1350484823.db2.gz ZLGYQWUZVMSGJB-SSDOTTSWSA-N -1 1 338.726 2.354 20 0 EEADMM O=C([O-])c1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)o1 ZINC001602324788 1350494309 /nfs/dbraw/zinc/49/43/09/1350494309.db2.gz BNUIHRXSGALWTI-UHFFFAOYSA-N -1 1 344.367 2.187 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)nc1 ZINC001602335932 1350496840 /nfs/dbraw/zinc/49/68/40/1350496840.db2.gz BAJWWHPJKFEKLV-UHFFFAOYSA-N -1 1 331.416 2.004 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC001602408443 1350512781 /nfs/dbraw/zinc/51/27/81/1350512781.db2.gz WNMPXLRTHKEPMQ-OLZOCXBDSA-N -1 1 328.368 2.017 20 0 EEADMM O=C([O-])c1cn(-c2cccc(NC(=O)c3cccc4cn[nH]c43)c2)nn1 ZINC001602494599 1350531898 /nfs/dbraw/zinc/53/18/98/1350531898.db2.gz KSSOTRRDIGRREA-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM C[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccccc1F ZINC001603038086 1350625414 /nfs/dbraw/zinc/62/54/14/1350625414.db2.gz ZHICLNJBZHJJBA-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM C[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccccc1F ZINC001603038086 1350625422 /nfs/dbraw/zinc/62/54/22/1350625422.db2.gz ZHICLNJBZHJJBA-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM CC(C)C(=O)Nc1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001603198389 1350661389 /nfs/dbraw/zinc/66/13/89/1350661389.db2.gz ITBAWPLNKAIVOR-UHFFFAOYSA-N -1 1 337.387 2.468 20 0 EEADMM CC(C)C(=O)Nc1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001603198389 1350661391 /nfs/dbraw/zinc/66/13/91/1350661391.db2.gz ITBAWPLNKAIVOR-UHFFFAOYSA-N -1 1 337.387 2.468 20 0 EEADMM CC(C)COc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001603302992 1350683701 /nfs/dbraw/zinc/68/37/01/1350683701.db2.gz WEFWPYCHBANCLC-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001603302992 1350683707 /nfs/dbraw/zinc/68/37/07/1350683707.db2.gz WEFWPYCHBANCLC-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001603387643 1350699733 /nfs/dbraw/zinc/69/97/33/1350699733.db2.gz AATOUNKMEPHTAV-LOWDOPEQSA-N -1 1 347.423 2.023 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603695526 1350744526 /nfs/dbraw/zinc/74/45/26/1350744526.db2.gz ITFHFSQEXXWJMJ-SCZZXKLOSA-N -1 1 342.325 2.020 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603695526 1350744530 /nfs/dbraw/zinc/74/45/30/1350744530.db2.gz ITFHFSQEXXWJMJ-SCZZXKLOSA-N -1 1 342.325 2.020 20 0 EEADMM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC001603753488 1350758401 /nfs/dbraw/zinc/75/84/01/1350758401.db2.gz MVQUGAWQTMWBJQ-XHSDSOJGSA-N -1 1 339.480 2.392 20 0 EEADMM CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001603759427 1350759839 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335.433 2.252 20 0 EEADMM C[C@H]1CC(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC001603847266 1350782031 /nfs/dbraw/zinc/78/20/31/1350782031.db2.gz OKQQLTIVKBWGBI-UWVGGRQHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(C)(C)C1=O ZINC001603867782 1350787383 /nfs/dbraw/zinc/78/73/83/1350787383.db2.gz KWSYZXVNFJYUPQ-RKDXNWHRSA-N -1 1 334.401 2.479 20 0 EEADMM C[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(C)(C)C1=O ZINC001603867782 1350787387 /nfs/dbraw/zinc/78/73/87/1350787387.db2.gz KWSYZXVNFJYUPQ-RKDXNWHRSA-N -1 1 334.401 2.479 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)[C@@H](C)[C@@H](C)O1 ZINC001603938987 1350808112 /nfs/dbraw/zinc/80/81/12/1350808112.db2.gz IGAQFDGPLFQHRV-HRDYMLBCSA-N -1 1 342.325 2.283 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)[C@@H](C)[C@@H](C)O1 ZINC001603938987 1350808116 /nfs/dbraw/zinc/80/81/16/1350808116.db2.gz IGAQFDGPLFQHRV-HRDYMLBCSA-N -1 1 342.325 2.283 20 0 EEADMM CC(C)c1ccc(NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC001604002434 1350826378 /nfs/dbraw/zinc/82/63/78/1350826378.db2.gz XYUYAXRJZDQJFC-HZPDHXFCSA-N -1 1 334.416 2.360 20 0 EEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604000901 1350826610 /nfs/dbraw/zinc/82/66/10/1350826610.db2.gz PDPHVJUYKABKMG-BDAKNGLRSA-N -1 1 329.451 2.031 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604085823 1350851116 /nfs/dbraw/zinc/85/11/16/1350851116.db2.gz MAOWRYQDNGPZFI-QWHCGFSZSA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604085823 1350851120 /nfs/dbraw/zinc/85/11/20/1350851120.db2.gz MAOWRYQDNGPZFI-QWHCGFSZSA-N -1 1 333.392 2.125 20 0 EEADMM CCCCN(C)C(=O)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC001604181571 1350886361 /nfs/dbraw/zinc/88/63/61/1350886361.db2.gz BWOOWZAKUSTCAS-UHFFFAOYSA-N -1 1 346.869 2.327 20 0 EEADMM CCCCN(C)C(=O)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC001604181571 1350886362 /nfs/dbraw/zinc/88/63/62/1350886362.db2.gz BWOOWZAKUSTCAS-UHFFFAOYSA-N -1 1 346.869 2.327 20 0 EEADMM CCCOc1cccc(C(=O)OCc2cccnc2-c2nnn[n-]2)c1 ZINC001604233046 1350898819 /nfs/dbraw/zinc/89/88/19/1350898819.db2.gz OZUNPEAMIKCOGJ-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCCOc1cccc(C(=O)OCc2cccnc2-c2nn[n-]n2)c1 ZINC001604233046 1350898822 /nfs/dbraw/zinc/89/88/22/1350898822.db2.gz OZUNPEAMIKCOGJ-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)C(=O)N1c2ccccc2C[C@H]1C ZINC001604349087 1350921550 /nfs/dbraw/zinc/92/15/50/1350921550.db2.gz DNQSUPICJGXQQZ-NEPJUHHUSA-N -1 1 327.384 2.169 20 0 EEADMM C[C@](O)(C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc(F)cc1 ZINC001604366955 1350924532 /nfs/dbraw/zinc/92/45/32/1350924532.db2.gz HJITXQFCOFVYQK-QGZVFWFLSA-N -1 1 343.314 2.246 20 0 EEADMM C[C@](O)(CN1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001604368998 1350925082 /nfs/dbraw/zinc/92/50/82/1350925082.db2.gz GEOYLZPWOZHZSA-KBPBESRZSA-N -1 1 335.297 2.412 20 0 EEADMM CCOCc1cccc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001604437440 1350937379 /nfs/dbraw/zinc/93/73/79/1350937379.db2.gz QBAZMOBZCHKONY-UHFFFAOYSA-N -1 1 325.376 2.499 20 0 EEADMM CCOCc1cccc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001604437440 1350937380 /nfs/dbraw/zinc/93/73/80/1350937380.db2.gz QBAZMOBZCHKONY-UHFFFAOYSA-N -1 1 325.376 2.499 20 0 EEADMM C[C@H](c1cccc(Br)c1)[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001604468396 1350943997 /nfs/dbraw/zinc/94/39/97/1350943997.db2.gz UQLIRZQDZNJBDZ-SECBINFHSA-N -1 1 330.178 2.371 20 0 EEADMM CCc1cccc(OCCOC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001604531315 1350956195 /nfs/dbraw/zinc/95/61/95/1350956195.db2.gz CKJARAAOQGDDRH-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM CCc1cccc(OCCOC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001604531315 1350956198 /nfs/dbraw/zinc/95/61/98/1350956198.db2.gz CKJARAAOQGDDRH-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM CCc1cnc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001604537364 1350957203 /nfs/dbraw/zinc/95/72/03/1350957203.db2.gz IXYBTCIJUXLYAY-UHFFFAOYSA-N -1 1 334.430 2.219 20 0 EEADMM C[C@@]1(CO)CCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001604582517 1350964567 /nfs/dbraw/zinc/96/45/67/1350964567.db2.gz FHSABILOBZIYFR-AWEZNQCLSA-N -1 1 328.206 2.494 20 0 EEADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC001604660200 1350980348 /nfs/dbraw/zinc/98/03/48/1350980348.db2.gz HJWQPTDIMJFNKL-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC001604660200 1350980351 /nfs/dbraw/zinc/98/03/51/1350980351.db2.gz HJWQPTDIMJFNKL-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C)c1nc2cc(NCc3nc(-c4nnn[n-]4)cs3)ccc2o1 ZINC001604705326 1350988817 /nfs/dbraw/zinc/98/88/17/1350988817.db2.gz MQOXXDIYIJMPNJ-UHFFFAOYSA-N -1 1 342.388 2.143 20 0 EEADMM CN(C)c1nc2cc(NCc3nc(-c4nn[n-]n4)cs3)ccc2o1 ZINC001604705326 1350988819 /nfs/dbraw/zinc/98/88/19/1350988819.db2.gz MQOXXDIYIJMPNJ-UHFFFAOYSA-N -1 1 342.388 2.143 20 0 EEADMM C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCN1CCC(=O)[O-] ZINC001604771068 1351000259 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CO[C@H]1CC[C@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001605029893 1351061677 /nfs/dbraw/zinc/06/16/77/1351061677.db2.gz OYKQMJCTSMQMIP-IUCAKERBSA-N -1 1 339.197 2.004 20 0 EEADMM COCc1cc(CNc2ccc(C)nc2-c2nnn[n-]2)ccc1F ZINC001605133008 1351084173 /nfs/dbraw/zinc/08/41/73/1351084173.db2.gz ZFSBFHAVFPUNTI-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COCc1cc(CNc2ccc(C)nc2-c2nn[n-]n2)ccc1F ZINC001605133008 1351084178 /nfs/dbraw/zinc/08/41/78/1351084178.db2.gz ZFSBFHAVFPUNTI-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COc1cc(Cl)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605221932 1351108119 /nfs/dbraw/zinc/10/81/19/1351108119.db2.gz BJPCKYSQHMYSDL-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(Cl)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605221932 1351108121 /nfs/dbraw/zinc/10/81/21/1351108121.db2.gz BJPCKYSQHMYSDL-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605271661 1351121919 /nfs/dbraw/zinc/12/19/19/1351121919.db2.gz 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ZINC001605470430 1351165006 /nfs/dbraw/zinc/16/50/06/1351165006.db2.gz TVWITQOAWAGMSH-NXEZZACHSA-N -1 1 340.811 2.380 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCOc2ccccc2C)c1 ZINC001605510458 1351174817 /nfs/dbraw/zinc/17/48/17/1351174817.db2.gz CSUWKLCUWUTYKM-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC001605640789 1351208047 /nfs/dbraw/zinc/20/80/47/1351208047.db2.gz LTHHFZJMHWIQAK-UHFFFAOYSA-N -1 1 325.376 2.005 20 0 EEADMM Cc1cc(C)c(C=CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC001605640584 1351208175 /nfs/dbraw/zinc/20/81/75/1351208175.db2.gz HTBHIQNIPPGDRV-AATRIKPKSA-N -1 1 337.387 2.177 20 0 EEADMM Cc1cc(C)c(C=CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC001605640584 1351208177 /nfs/dbraw/zinc/20/81/77/1351208177.db2.gz HTBHIQNIPPGDRV-AATRIKPKSA-N -1 1 337.387 2.177 20 0 EEADMM Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)on1 ZINC001605662262 1351213407 /nfs/dbraw/zinc/21/34/07/1351213407.db2.gz XZMPQCKHIFJTKT-UHFFFAOYSA-N -1 1 340.322 2.100 20 0 EEADMM Cc1cc(NCC2(C(=O)OC(C)(C)C)CCC2)cc(-c2nnn[n-]2)n1 ZINC001605728346 1351219341 /nfs/dbraw/zinc/21/93/41/1351219341.db2.gz GVHVCEGOKJEGQF-UHFFFAOYSA-N -1 1 344.419 2.494 20 0 EEADMM Cc1cc(NCC2(C(=O)OC(C)(C)C)CCC2)cc(-c2nn[n-]n2)n1 ZINC001605728346 1351219345 /nfs/dbraw/zinc/21/93/45/1351219345.db2.gz GVHVCEGOKJEGQF-UHFFFAOYSA-N -1 1 344.419 2.494 20 0 EEADMM Cc1ccc(-c2nnc(Sc3cc(-c4nnn[n-]4)ncn3)o2)cc1 ZINC001605760657 1351221502 /nfs/dbraw/zinc/22/15/02/1351221502.db2.gz LEMOBFRHOGQZKT-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccc(-c2nnc(Sc3cc(-c4nn[n-]n4)ncn3)o2)cc1 ZINC001605760657 1351221503 /nfs/dbraw/zinc/22/15/03/1351221503.db2.gz LEMOBFRHOGQZKT-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM CCc1[nH]c(CN2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1C(=O)[O-] ZINC001605772062 1351222355 /nfs/dbraw/zinc/22/23/55/1351222355.db2.gz OZTCZPNLIIIUJX-OAHLLOKOSA-N -1 1 333.432 2.012 20 0 EEADMM Cc1ccc(/C=C/CC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001605834321 1351232126 /nfs/dbraw/zinc/23/21/26/1351232126.db2.gz PVUHUUOJHBGVLU-NSCUHMNNSA-N -1 1 340.412 2.351 20 0 EEADMM Cc1ccc(/C=C/CC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001605834321 1351232131 /nfs/dbraw/zinc/23/21/31/1351232131.db2.gz PVUHUUOJHBGVLU-NSCUHMNNSA-N -1 1 340.412 2.351 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001605866154 1351241396 /nfs/dbraw/zinc/24/13/96/1351241396.db2.gz MDVSTKYCVFSYAO-UHFFFAOYSA-N -1 1 335.414 2.062 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001605866154 1351241399 /nfs/dbraw/zinc/24/13/99/1351241399.db2.gz MDVSTKYCVFSYAO-UHFFFAOYSA-N -1 1 335.414 2.062 20 0 EEADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc2ccccc2c1 ZINC001606616287 1351332635 /nfs/dbraw/zinc/33/26/35/1351332635.db2.gz OCIBEPXAIHMRSU-UHFFFAOYSA-N -1 1 331.335 2.065 20 0 EEADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606639057 1351336275 /nfs/dbraw/zinc/33/62/75/1351336275.db2.gz VUEZVPKOCOEURJ-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(NC1CC(Cl)(Cl)C1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606648657 1351336610 /nfs/dbraw/zinc/33/66/10/1351336610.db2.gz QHINMDGWUOJXHG-UHFFFAOYSA-N -1 1 348.140 2.211 20 0 EEADMM O=C(NC1CC(Cl)(Cl)C1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606648657 1351336612 /nfs/dbraw/zinc/33/66/12/1351336612.db2.gz QHINMDGWUOJXHG-UHFFFAOYSA-N -1 1 348.140 2.211 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(-c2nnn[n-]2)o1 ZINC001606684967 1351342065 /nfs/dbraw/zinc/34/20/65/1351342065.db2.gz HFMUCSXQRAUGLL-QMMMGPOBSA-N -1 1 349.272 2.294 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(-c2nn[n-]n2)o1 ZINC001606684967 1351342068 /nfs/dbraw/zinc/34/20/68/1351342068.db2.gz HFMUCSXQRAUGLL-QMMMGPOBSA-N -1 1 349.272 2.294 20 0 EEADMM O=C(NCCc1ccsc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606796036 1351357820 /nfs/dbraw/zinc/35/78/20/1351357820.db2.gz HAVCKBXFMCEJNK-UHFFFAOYSA-N -1 1 334.430 2.032 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001606845295 1351366084 /nfs/dbraw/zinc/36/60/84/1351366084.db2.gz VNFZKZQBFNOYNK-WDEREUQCSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001606845295 1351366087 /nfs/dbraw/zinc/36/60/87/1351366087.db2.gz VNFZKZQBFNOYNK-WDEREUQCSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(Nc1cnn2ccccc12)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606946852 1351381661 /nfs/dbraw/zinc/38/16/61/1351381661.db2.gz APSDHKIQDGBLOC-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(Nc1cnn2ccccc12)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606946852 1351381664 /nfs/dbraw/zinc/38/16/64/1351381664.db2.gz APSDHKIQDGBLOC-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(OCCCOCCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606969151 1351387842 /nfs/dbraw/zinc/38/78/42/1351387842.db2.gz YORDOOOFCBTAIM-UHFFFAOYSA-N -1 1 342.355 2.266 20 0 EEADMM O=C(OCCCOCCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606969151 1351387846 /nfs/dbraw/zinc/38/78/46/1351387846.db2.gz YORDOOOFCBTAIM-UHFFFAOYSA-N -1 1 342.355 2.266 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(Cc2cccs2)C1 ZINC001607022660 1351399492 /nfs/dbraw/zinc/39/94/92/1351399492.db2.gz WVGLWHADEHQRJC-UHFFFAOYSA-N -1 1 343.387 2.382 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(Cc2cccs2)C1 ZINC001607022660 1351399496 /nfs/dbraw/zinc/39/94/96/1351399496.db2.gz WVGLWHADEHQRJC-UHFFFAOYSA-N -1 1 343.387 2.382 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC2(CCSCC2)CC1 ZINC001607031355 1351401069 /nfs/dbraw/zinc/40/10/69/1351401069.db2.gz YBBQLKRVTZEGOX-UHFFFAOYSA-N -1 1 333.417 2.209 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC2(CCSCC2)CC1 ZINC001607031355 1351401070 /nfs/dbraw/zinc/40/10/70/1351401070.db2.gz YBBQLKRVTZEGOX-UHFFFAOYSA-N -1 1 333.417 2.209 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1csc(-c2cccs2)n1 ZINC001607089843 1351413232 /nfs/dbraw/zinc/41/32/32/1351413232.db2.gz CWMZQUSPAYTWAR-UHFFFAOYSA-N -1 1 342.409 2.262 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@H]2CCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114374 1351424204 /nfs/dbraw/zinc/42/42/04/1351424204.db2.gz IMDYSHBDHNODAT-WFASDCNBSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114374 1351424206 /nfs/dbraw/zinc/42/42/06/1351424206.db2.gz IMDYSHBDHNODAT-WFASDCNBSA-N -1 1 341.419 2.151 20 0 EEADMM COc1cc(C)cc(CN2CCSC[C@@H]2CC(=O)[O-])c1OC ZINC001607149388 1351438234 /nfs/dbraw/zinc/43/82/34/1351438234.db2.gz LPDLXJXNLMJOOF-ZDUSSCGKSA-N -1 1 325.430 2.404 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCc2ccccc2[C@@H]1CO ZINC001607216157 1351450611 /nfs/dbraw/zinc/45/06/11/1351450611.db2.gz YDKSESOAPGWRHJ-KRWDZBQOSA-N -1 1 327.380 2.485 20 0 EEADMM COc1cccc([C@@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC001607309720 1351469809 /nfs/dbraw/zinc/46/98/09/1351469809.db2.gz QPNKLNOHSCNIGG-CYBMUJFWSA-N -1 1 334.416 2.250 20 0 EEADMM COc1cccc([C@@H](NCc2c(C(F)(F)F)cnn2C)C(=O)[O-])c1 ZINC001607313135 1351471367 /nfs/dbraw/zinc/47/13/67/1351471367.db2.gz LKUGDYWIWHKTJH-CYBMUJFWSA-N -1 1 343.305 2.363 20 0 EEADMM COc1ccccc1NC(=O)CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001607347208 1351479737 /nfs/dbraw/zinc/47/97/37/1351479737.db2.gz ZYSNUMHOSHHEFB-SFHVURJKSA-N -1 1 343.383 2.008 20 0 EEADMM Cc1[nH]c(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001607491200 1351503666 /nfs/dbraw/zinc/50/36/66/1351503666.db2.gz RNWVPGXUXRGHCX-HNNXBMFYSA-N -1 1 341.411 2.334 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001607499987 1351506418 /nfs/dbraw/zinc/50/64/18/1351506418.db2.gz HNRAJZPKIGBJFL-UHFFFAOYSA-N -1 1 345.281 2.005 20 0 EEADMM Cc1cc(CN2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)no1 ZINC001607641004 1351531335 /nfs/dbraw/zinc/53/13/35/1351531335.db2.gz KHLCWEDKUWVYBZ-UHFFFAOYSA-N -1 1 333.388 2.291 20 0 EEADMM Cc1cc(CNCc2ccc(-n3cncn3)c(C)c2)oc1C(=O)[O-] ZINC001607648399 1351533070 /nfs/dbraw/zinc/53/30/70/1351533070.db2.gz LBYVYRXIAJFJSR-UHFFFAOYSA-N -1 1 326.356 2.465 20 0 EEADMM Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])nn1[C@@H](C)C1CC1 ZINC001607695799 1351541528 /nfs/dbraw/zinc/54/15/28/1351541528.db2.gz RFUVYHNOMZTXOE-JTQLQIEISA-N -1 1 329.422 2.015 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC001607739785 1351549465 /nfs/dbraw/zinc/54/94/65/1351549465.db2.gz RYDPFQSHHULCFR-XIKOKIGWSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC001607739785 1351549468 /nfs/dbraw/zinc/54/94/68/1351549468.db2.gz RYDPFQSHHULCFR-XIKOKIGWSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(N2CCN(CCCOC(C)(C)C)CC2)nc1C(=O)[O-] ZINC001607795019 1351560364 /nfs/dbraw/zinc/56/03/64/1351560364.db2.gz VJPOIYHBKQJNQI-UHFFFAOYSA-N -1 1 335.448 2.415 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1C ZINC001607825181 1351565993 /nfs/dbraw/zinc/56/59/93/1351565993.db2.gz OUKSBNYOTQGJLD-RYQLBKOJSA-N -1 1 344.455 2.414 20 0 EEADMM Cc1ccccc1C[C@H](C)N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001607879695 1351577848 /nfs/dbraw/zinc/57/78/48/1351577848.db2.gz DUGHXMOJXWPJSW-DOTOQJQBSA-N -1 1 334.460 2.473 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001607901239 1351582502 /nfs/dbraw/zinc/58/25/02/1351582502.db2.gz BFWFUASVWJAIFX-BFHYXJOUSA-N -1 1 336.457 2.167 20 0 EEADMM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001608164560 1351638880 /nfs/dbraw/zinc/63/88/80/1351638880.db2.gz NBZQPIIPGQWFKY-KRWDZBQOSA-N -1 1 347.390 2.203 20 0 EEADMM N[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC001608249761 1351656686 /nfs/dbraw/zinc/65/66/86/1351656686.db2.gz XJPIQVBXAQBKRU-GFCCVEGCSA-N -1 1 344.333 2.466 20 0 EEADMM Nc1cc(CCCCNC(=O)c2cc(F)cc(C(=O)[O-])c2)ccn1 ZINC001608272923 1351660840 /nfs/dbraw/zinc/66/08/40/1351660840.db2.gz YURFMVWGPGFLIP-UHFFFAOYSA-N -1 1 331.347 2.254 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)CCN2CC[C@@H](F)C2)c1 ZINC001608308483 1351668138 /nfs/dbraw/zinc/66/81/38/1351668138.db2.gz UIGUUJGIFREWTG-CYBMUJFWSA-N -1 1 331.347 2.305 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CNC(=O)c2cccc3nc(C(F)F)[nH]c32)C1(F)F ZINC001608461804 1351699791 /nfs/dbraw/zinc/69/97/91/1351699791.db2.gz GDXXKSOOCAONHP-XPUUQOCRSA-N -1 1 345.252 2.196 20 0 EEADMM CCC(CC)(NC(=O)c1cnc(-c2ccccn2)s1)c1nn[n-]n1 ZINC001623440438 1352397123 /nfs/dbraw/zinc/39/71/23/1352397123.db2.gz ABHYZYVXSGZJSO-UHFFFAOYSA-N -1 1 343.416 2.164 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cc2ncccn2n1 ZINC001624608621 1352425699 /nfs/dbraw/zinc/42/56/99/1352425699.db2.gz QVJJIYQWPQVDED-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM O=C(c1ccccc1Oc1cccnc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001632986368 1352603665 /nfs/dbraw/zinc/60/36/65/1352603665.db2.gz GZQSUDFEKNMTEL-GFCCVEGCSA-N -1 1 336.355 2.017 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1noc(C)n1 ZINC000080793779 1355288967 /nfs/dbraw/zinc/28/89/67/1355288967.db2.gz NTFCVJNEUICPOK-LBPRGKRZSA-N -1 1 340.792 2.333 20 0 EEADMM Cc1cscc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001388994427 1387869739 /nfs/dbraw/zinc/86/97/39/1387869739.db2.gz XVRZCMQXHRQOCW-UHFFFAOYSA-N -1 1 333.413 2.001 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2ccc3[nH]c(CO)nc3c2)c(OC)c1 ZINC001190136639 1368394355 /nfs/dbraw/zinc/39/43/55/1368394355.db2.gz CVHSNZZZTGZGNL-UHFFFAOYSA-N -1 1 343.339 2.030 20 0 EEADMM O=C(NCC1(F)CCOCC1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190267064 1368404178 /nfs/dbraw/zinc/40/41/78/1368404178.db2.gz CWWYLZAIRQEORV-UHFFFAOYSA-N -1 1 331.347 2.098 20 0 EEADMM Cc1cc(Cl)c(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cn1 ZINC001194888583 1368497851 /nfs/dbraw/zinc/49/78/51/1368497851.db2.gz KYOFXMLOSLUIQI-UHFFFAOYSA-N -1 1 336.739 2.255 20 0 EEADMM O=S(=O)([N-]CCOCC1CCC1)c1cc(Cl)cnc1Cl ZINC000867113916 1368510578 /nfs/dbraw/zinc/51/05/78/1368510578.db2.gz YHXWLWCPZZZELP-UHFFFAOYSA-N -1 1 339.244 2.483 20 0 EEADMM CCOC(=O)c1ccncc1S(=O)(=O)Nc1ccccc1[S-] ZINC001195636114 1368559612 /nfs/dbraw/zinc/55/96/12/1368559612.db2.gz WJGCZIYKIARJPL-UHFFFAOYSA-N -1 1 338.410 2.348 20 0 EEADMM COc1cncc(NC(=O)c2sccc2[N-]S(C)(=O)=O)c1C ZINC001196721832 1368607194 /nfs/dbraw/zinc/60/71/94/1368607194.db2.gz WCSRGNPGRKKIML-UHFFFAOYSA-N -1 1 341.414 2.084 20 0 EEADMM O=C(Nc1ccc(Br)cc1)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001202344990 1368923657 /nfs/dbraw/zinc/92/36/57/1368923657.db2.gz YPKHMCORRMUBMW-UHFFFAOYSA-N -1 1 349.148 2.465 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001488767839 1369061408 /nfs/dbraw/zinc/06/14/08/1369061408.db2.gz CBVWSNCZQXEDFN-VXGBXAGGSA-N -1 1 345.399 2.324 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ncc(Cl)cn1 ZINC001069360018 1370096466 /nfs/dbraw/zinc/09/64/66/1370096466.db2.gz RALVJWBSALEJJF-JQWIXIFHSA-N -1 1 347.806 2.018 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952803 1370586660 /nfs/dbraw/zinc/58/66/60/1370586660.db2.gz QXYNTGGKUWFLKS-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000780620800 1371168939 /nfs/dbraw/zinc/16/89/39/1371168939.db2.gz VJUOTFFKPLHKMX-QWHCGFSZSA-N -1 1 327.812 2.105 20 0 EEADMM O=C(c1ccc([O-])cn1)N1CCN(c2cncc3ccccc32)CC1 ZINC001138343347 1372385683 /nfs/dbraw/zinc/38/56/83/1372385683.db2.gz RBVIWGPXWSIJPE-UHFFFAOYSA-N -1 1 334.379 2.298 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cnc(SC)[n-]c2=O)C[C@H]1OC ZINC001362347102 1373396553 /nfs/dbraw/zinc/39/65/53/1373396553.db2.gz KFBYDCXNZJUFTM-GHMZBOCLSA-N -1 1 325.434 2.228 20 0 EEADMM CCC(CC)(NC(=O)[C@H]1CCc2ccc(OC)cc21)c1nn[n-]n1 ZINC001363133557 1373485933 /nfs/dbraw/zinc/48/59/33/1373485933.db2.gz AGIOAXMPNBTPCG-ZDUSSCGKSA-N -1 1 329.404 2.070 20 0 EEADMM COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001363171410 1373487185 /nfs/dbraw/zinc/48/71/85/1373487185.db2.gz BZKLALAORBNIOJ-OAHLLOKOSA-N -1 1 347.798 2.489 20 0 EEADMM COc1cc(C(=O)Nc2c[n-][nH]c2=O)cc(Br)c1OC ZINC001363708764 1373545939 /nfs/dbraw/zinc/54/59/39/1373545939.db2.gz OUZPYFNTXYFREN-UHFFFAOYSA-N -1 1 342.149 2.147 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)N3CCC(c4nn[n-]n4)CC3)sc2C1 ZINC001364197536 1373595512 /nfs/dbraw/zinc/59/55/12/1373595512.db2.gz UUJIWZFPOIBXSZ-VIFPVBQESA-N -1 1 347.448 2.193 20 0 EEADMM C[C@H](CN(C)C(=O)C12CCC(CC1)CC2)NC(=O)c1ncccc1[O-] ZINC001370528034 1374975191 /nfs/dbraw/zinc/97/51/91/1374975191.db2.gz LHSCFGPEMWVADR-VFPJAPOESA-N -1 1 345.443 2.334 20 0 EEADMM CCCOc1cccc(CN(C)CCNC(=O)c2[nH]nc(C)c2[O-])c1 ZINC001371943795 1375678850 /nfs/dbraw/zinc/67/88/50/1375678850.db2.gz DJKCECBUTOJDKQ-UHFFFAOYSA-N -1 1 346.431 2.074 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372247661 1375882466 /nfs/dbraw/zinc/88/24/66/1375882466.db2.gz MIAZILIJGFVDNZ-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001373150065 1376463732 /nfs/dbraw/zinc/46/37/32/1376463732.db2.gz QQEHEZZPGJOQQZ-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCC(C)(C)C1 ZINC001375059711 1377326539 /nfs/dbraw/zinc/32/65/39/1377326539.db2.gz NDBDGRSQJQQLNK-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](CNC(=O)CCCC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001375252807 1377543622 /nfs/dbraw/zinc/54/36/22/1377543622.db2.gz PSGGTSGBHUYCGO-JTQLQIEISA-N -1 1 347.337 2.144 20 0 EEADMM CCCCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001378100854 1379713128 /nfs/dbraw/zinc/71/31/28/1379713128.db2.gz ZJRVGJKORAVARN-KBPBESRZSA-N -1 1 333.432 2.382 20 0 EEADMM CCC[C@H](C)CC(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001379667403 1380810038 /nfs/dbraw/zinc/81/00/38/1380810038.db2.gz LIZPBIHPUOQUSV-SCLBCKFNSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](CNC(=O)[C@@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001390563034 1388683185 /nfs/dbraw/zinc/68/31/85/1388683185.db2.gz GOMIYVCTHJIHSO-DZGCQCFKSA-N -1 1 341.411 2.216 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccc(Cl)cc1 ZINC001381961870 1381886847 /nfs/dbraw/zinc/88/68/47/1381886847.db2.gz KPRFMJNWVDVKBC-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CCCC[C@@H](CNC(=O)C1(CC)CC1)NC(=O)c1ncccc1[O-] ZINC001383228163 1382404499 /nfs/dbraw/zinc/40/44/99/1382404499.db2.gz VMPRJLTZHLOVKD-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001384637224 1385212118 /nfs/dbraw/zinc/21/21/18/1385212118.db2.gz SHZLIXSNNCEAHW-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@H](C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001384837283 1385275797 /nfs/dbraw/zinc/27/57/97/1385275797.db2.gz XXWYGQHRMGBVEC-RRFJBIMHSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001385016860 1385345884 /nfs/dbraw/zinc/34/58/84/1385345884.db2.gz YFKAOBUCVWLWJR-IPYPFGDCSA-N -1 1 345.443 2.190 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001385293188 1385439228 /nfs/dbraw/zinc/43/92/28/1385439228.db2.gz GTOWPNCYIFQXTC-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001385864264 1385877012 /nfs/dbraw/zinc/87/70/12/1385877012.db2.gz AECPTTJTIGMVTM-WCQYABFASA-N -1 1 333.432 2.094 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001391583879 1389453429 /nfs/dbraw/zinc/45/34/29/1389453429.db2.gz OOLBBBSQRBUGOK-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1(C)CCCCC1 ZINC001392172274 1389861628 /nfs/dbraw/zinc/86/16/28/1389861628.db2.gz SIAGPWGCKNUDQX-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)c1occc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392773080 1390191533 /nfs/dbraw/zinc/19/15/33/1390191533.db2.gz KZPAKRADPSQVHB-NSHDSACASA-N -1 1 331.372 2.052 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)C2CCCCC2)C1 ZINC001394354182 1390676630 /nfs/dbraw/zinc/67/66/30/1390676630.db2.gz BKCZKFMWCGXCBA-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CCC2(CC2)CC1 ZINC001394823440 1390753797 /nfs/dbraw/zinc/75/37/97/1390753797.db2.gz VGHRFEJPYXRJSX-ZDUSSCGKSA-N -1 1 349.479 2.101 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001396148363 1390912697 /nfs/dbraw/zinc/91/26/97/1390912697.db2.gz QGFSLVPHSOKROA-GXTWGEPZSA-N -1 1 345.443 2.238 20 0 EEADMM CCC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396547574 1390955150 /nfs/dbraw/zinc/95/51/50/1390955150.db2.gz HWNQVEISHUEZJL-ZNMIVQPWSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)CCC(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001396848428 1390978187 /nfs/dbraw/zinc/97/81/87/1390978187.db2.gz IRMSJOUVXIRHNA-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@H](C)CC(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397398640 1391200840 /nfs/dbraw/zinc/20/08/40/1391200840.db2.gz RBJKDFDQMNTXNE-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001397467878 1391245018 /nfs/dbraw/zinc/24/50/18/1391245018.db2.gz YAZSDNOUTFXCAD-SNVBAGLBSA-N -1 1 347.802 2.297 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1(C(C)C)CC1 ZINC001398225873 1391911238 /nfs/dbraw/zinc/91/12/38/1391911238.db2.gz KVSUBJPFBMRGHX-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(CC)CC(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001398310461 1392159354 /nfs/dbraw/zinc/15/93/54/1392159354.db2.gz IIRGUCIXQLNYHR-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](CC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001398817852 1394202541 /nfs/dbraw/zinc/20/25/41/1394202541.db2.gz YFLOCPZZMKNUGF-AWEZNQCLSA-N -1 1 333.432 2.048 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C)cc1F ZINC001422692577 1400130535 /nfs/dbraw/zinc/13/05/35/1400130535.db2.gz ZALWRMFHCQJFOQ-LBPRGKRZSA-N -1 1 349.410 2.036 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2)sn1 ZINC001423643742 1400718041 /nfs/dbraw/zinc/71/80/41/1400718041.db2.gz TYSFTNNMCCAEIN-SNVBAGLBSA-N -1 1 330.406 2.336 20 0 EEADMM CCc1ccccc1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425047382 1401410860 /nfs/dbraw/zinc/41/08/60/1401410860.db2.gz XWJXKXGVDTWIPH-ZDUSSCGKSA-N -1 1 341.411 2.240 20 0 EEADMM CCCC(=O)N(C)C1CC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001426096186 1401882440 /nfs/dbraw/zinc/88/24/40/1401882440.db2.gz UXIKTKVWCLXCSO-UHFFFAOYSA-N -1 1 348.447 2.133 20 0 EEADMM CCCC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001427443319 1402419481 /nfs/dbraw/zinc/41/94/81/1402419481.db2.gz HIEHJPIHQHCYQQ-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001427845706 1402542598 /nfs/dbraw/zinc/54/25/98/1402542598.db2.gz ZPFKDJJTPQGPGZ-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001428118752 1402629218 /nfs/dbraw/zinc/62/92/18/1402629218.db2.gz LTVDFMXFZORPLA-ZIAGYGMSSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@](CNC(=O)CCC1(C)CC1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432859358 1403307868 /nfs/dbraw/zinc/30/78/68/1403307868.db2.gz GILXTDAHSRHSRS-IBGZPJMESA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)CCO[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001574203068 1403519213 /nfs/dbraw/zinc/51/92/13/1403519213.db2.gz KYVYMOAQGHCFQV-NSHDSACASA-N -1 1 349.439 2.208 20 0 EEADMM CC(C)CCO[C@@H](C)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001574203068 1403519219 /nfs/dbraw/zinc/51/92/19/1403519219.db2.gz KYVYMOAQGHCFQV-NSHDSACASA-N -1 1 349.439 2.208 20 0 EEADMM CC1(C)CCC(=CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001575655371 1403555528 /nfs/dbraw/zinc/55/55/28/1403555528.db2.gz OZZZUCGLQXBIKT-UHFFFAOYSA-N -1 1 326.404 2.405 20 0 EEADMM CC1(C)CCC(=CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001575655371 1403555532 /nfs/dbraw/zinc/55/55/32/1403555532.db2.gz OZZZUCGLQXBIKT-UHFFFAOYSA-N -1 1 326.404 2.405 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@@H]1C ZINC001576140158 1403560424 /nfs/dbraw/zinc/56/04/24/1403560424.db2.gz ZSWVYARVPVXXCU-KXUCPTDWSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001576389520 1403571382 /nfs/dbraw/zinc/57/13/82/1403571382.db2.gz TTZVUGIFLPZIKQ-VIFPVBQESA-N -1 1 347.425 2.068 20 0 EEADMM CC[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001576581176 1403585685 /nfs/dbraw/zinc/58/56/85/1403585685.db2.gz KJJVYDZEFXKYTK-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001576611060 1403590976 /nfs/dbraw/zinc/59/09/76/1403590976.db2.gz MPYIDSLRTHUZIM-WCBMZHEXSA-N -1 1 341.412 2.027 20 0 EEADMM CCC[C@]1(C)CCCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001577388703 1403643233 /nfs/dbraw/zinc/64/32/33/1403643233.db2.gz WIUKTAOGIJNNSR-QGZVFWFLSA-N -1 1 344.419 2.318 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001580151878 1403837772 /nfs/dbraw/zinc/83/77/72/1403837772.db2.gz DNCHXBLTDDOJJS-QHCPKHFHSA-N -1 1 348.413 2.216 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001580151878 1403837778 /nfs/dbraw/zinc/83/77/78/1403837778.db2.gz DNCHXBLTDDOJJS-QHCPKHFHSA-N -1 1 348.413 2.216 20 0 EEADMM CCCC[C@@H](CC)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590579849 1403887900 /nfs/dbraw/zinc/88/79/00/1403887900.db2.gz TZBRHYIBYQQJAS-LLVKDONJSA-N -1 1 333.392 2.031 20 0 EEADMM CCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([O-])cc1F ZINC001590747784 1403893483 /nfs/dbraw/zinc/89/34/83/1403893483.db2.gz NNMLCXXIUSYHSG-UHFFFAOYSA-N -1 1 342.334 2.396 20 0 EEADMM COc1cccc(C(C)(C)CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591638184 1403932049 /nfs/dbraw/zinc/93/20/49/1403932049.db2.gz LBZPMJIBQSIFJI-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1cccc(C(C)(C)CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591638184 1403932059 /nfs/dbraw/zinc/93/20/59/1403932059.db2.gz LBZPMJIBQSIFJI-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM Cc1c(Nc2cncc(-c3nnn[n-]3)n2)cnn1-c1ccccc1F ZINC001591828546 1403952750 /nfs/dbraw/zinc/95/27/50/1403952750.db2.gz NVYADBFOMHQLME-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2cncc(-c3nn[n-]n3)n2)cnn1-c1ccccc1F ZINC001591828546 1403952756 /nfs/dbraw/zinc/95/27/56/1403952756.db2.gz NVYADBFOMHQLME-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2OCCc3ccccc32)n1 ZINC001591895557 1403969197 /nfs/dbraw/zinc/96/91/97/1403969197.db2.gz PUYNKQIRGXNSJH-OAHLLOKOSA-N -1 1 337.387 2.081 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2OCCc3ccccc32)n1 ZINC001591895557 1403969203 /nfs/dbraw/zinc/96/92/03/1403969203.db2.gz PUYNKQIRGXNSJH-OAHLLOKOSA-N -1 1 337.387 2.081 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC001591892938 1403969711 /nfs/dbraw/zinc/96/97/11/1403969711.db2.gz URIVBJMQKHOUQK-GZMMTYOYSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC001591892938 1403969716 /nfs/dbraw/zinc/96/97/16/1403969716.db2.gz URIVBJMQKHOUQK-GZMMTYOYSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(N2CC[C@@H]3CC[C@@]32c2cccnc2)cc(-c2nnn[n-]2)n1 ZINC001592009478 1403983684 /nfs/dbraw/zinc/98/36/84/1403983684.db2.gz BMLUAUZPMHAYIH-UGSOOPFHSA-N -1 1 333.399 2.481 20 0 EEADMM Cc1cc(N2CC[C@@H]3CC[C@@]32c2cccnc2)cc(-c2nn[n-]n2)n1 ZINC001592009478 1403983694 /nfs/dbraw/zinc/98/36/94/1403983694.db2.gz BMLUAUZPMHAYIH-UGSOOPFHSA-N -1 1 333.399 2.481 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001592140652 1404005912 /nfs/dbraw/zinc/00/59/12/1404005912.db2.gz WFJRLTYISLZEBG-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001592140652 1404005920 /nfs/dbraw/zinc/00/59/20/1404005920.db2.gz WFJRLTYISLZEBG-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1nsc(NCCC[C@H](C)NC(=O)C2CCC2)c1-c1nn[n-]n1 ZINC001592490170 1404701325 /nfs/dbraw/zinc/70/13/25/1404701325.db2.gz GCMFJQWSPSMLKV-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC001592499233 1404703502 /nfs/dbraw/zinc/70/35/02/1404703502.db2.gz JZFVKPDXQLCDGU-ZDUSSCGKSA-N -1 1 345.403 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](OC2CCC2)CC1 ZINC001592499233 1404703504 /nfs/dbraw/zinc/70/35/04/1404703504.db2.gz JZFVKPDXQLCDGU-ZDUSSCGKSA-N -1 1 345.403 2.332 20 0 EEADMM O=C(NCC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593034658 1404738098 /nfs/dbraw/zinc/73/80/98/1404738098.db2.gz SWRDVWQGSQHOFY-UHFFFAOYSA-N -1 1 327.801 2.288 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H](c1ccccc1)C1CC1 ZINC001592915452 1404728759 /nfs/dbraw/zinc/72/87/59/1404728759.db2.gz OPLMJBASQCNVEI-INIZCTEOSA-N -1 1 348.410 2.114 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H](c1ccccc1)C1CC1 ZINC001592915452 1404728765 /nfs/dbraw/zinc/72/87/65/1404728765.db2.gz OPLMJBASQCNVEI-INIZCTEOSA-N -1 1 348.410 2.114 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1CC1CCC1 ZINC001592913256 1404729719 /nfs/dbraw/zinc/72/97/19/1404729719.db2.gz AHSQYPPCVWOKID-HNNXBMFYSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1CC1CCC1 ZINC001592913256 1404729724 /nfs/dbraw/zinc/72/97/24/1404729724.db2.gz AHSQYPPCVWOKID-HNNXBMFYSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(NC[C@H]1CC2CCC1CC2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593031312 1404735981 /nfs/dbraw/zinc/73/59/81/1404735981.db2.gz VYGQZHTWOUDNTE-HTAVTVPLSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@H]1CC2CCC1CC2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593031312 1404735985 /nfs/dbraw/zinc/73/59/85/1404735985.db2.gz VYGQZHTWOUDNTE-HTAVTVPLSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593223483 1404745873 /nfs/dbraw/zinc/74/58/73/1404745873.db2.gz KECCGHGZYLOTFW-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(Nc1ccc(-n2cccn2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593223483 1404745878 /nfs/dbraw/zinc/74/58/78/1404745878.db2.gz KECCGHGZYLOTFW-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM Cc1nc(NCc2cccc(OC3CC3)c2F)cc(-c2nnn[n-]2)n1 ZINC001606075846 1404763291 /nfs/dbraw/zinc/76/32/91/1404763291.db2.gz DDSMMLSIBXKQHG-UHFFFAOYSA-N -1 1 341.350 2.258 20 0 EEADMM Cc1nc(NCc2cccc(OC3CC3)c2F)cc(-c2nn[n-]n2)n1 ZINC001606075846 1404763294 /nfs/dbraw/zinc/76/32/94/1404763294.db2.gz DDSMMLSIBXKQHG-UHFFFAOYSA-N -1 1 341.350 2.258 20 0 EEADMM Cc1nsc(NC(=O)N2CC3(CCC3)C[C@H]2C)c1-c1nnn[n-]1 ZINC001606149551 1404769484 /nfs/dbraw/zinc/76/94/84/1404769484.db2.gz VFVGXNNUFRWKIH-MRVPVSSYSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CC3(CCC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001606149551 1404769489 /nfs/dbraw/zinc/76/94/89/1404769489.db2.gz VFVGXNNUFRWKIH-MRVPVSSYSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1conc1C(F)(F)F ZINC001606170673 1404772584 /nfs/dbraw/zinc/77/25/84/1404772584.db2.gz MRCANABFVNJLNI-UHFFFAOYSA-N -1 1 343.221 2.132 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1conc1C(F)(F)F ZINC001606170673 1404772587 /nfs/dbraw/zinc/77/25/87/1404772587.db2.gz MRCANABFVNJLNI-UHFFFAOYSA-N -1 1 343.221 2.132 20 0 EEADMM CN1Cc2ccccc2[C@@H](N[C@H]2CCCn3nc(C(=O)[O-])cc32)C1 ZINC001606260082 1404777817 /nfs/dbraw/zinc/77/78/17/1404777817.db2.gz VVDZXACGRPJGIJ-HOCLYGCPSA-N -1 1 326.400 2.193 20 0 EEADMM Cc1oc(-c2cccs2)nc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001644045806 1404817393 /nfs/dbraw/zinc/81/73/93/1404817393.db2.gz WGSLRTYMBHCCSF-UHFFFAOYSA-N -1 1 344.400 2.244 20 0 EEADMM Cc1cc(F)cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1 ZINC000361732183 1406053934 /nfs/dbraw/zinc/05/39/34/1406053934.db2.gz BAZAHRCIGHZKJX-UHFFFAOYSA-N -1 1 327.319 2.479 20 0 EEADMM CCCCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001756263365 1408268455 /nfs/dbraw/zinc/26/84/55/1408268455.db2.gz LAXBZMVVUWKAAN-HDJSIYSDSA-N -1 1 333.432 2.382 20 0 EEADMM CC/C=C(/C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001756934437 1409524925 /nfs/dbraw/zinc/52/49/25/1409524925.db2.gz AHCZIZZUIDCRJP-TUJBUDNFSA-N -1 1 345.443 2.358 20 0 EEADMM CC/C=C(\C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001757338997 1409679598 /nfs/dbraw/zinc/67/95/98/1409679598.db2.gz CQZIUIHCXRFWBN-ODYZYYDOSA-N -1 1 331.416 2.158 20 0 EEADMM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC001771918386 1409980587 /nfs/dbraw/zinc/98/05/87/1409980587.db2.gz UQAUBASKGIRMCN-UKRRQHHQSA-N -1 1 340.383 2.105 20 0 EEADMM CCCCn1nnnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001771936261 1409984119 /nfs/dbraw/zinc/98/41/19/1409984119.db2.gz MWBANVJSOCEZOZ-UHFFFAOYSA-N -1 1 329.404 2.278 20 0 EEADMM CC(C)[C@H](O)CC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161666 1410362863 /nfs/dbraw/zinc/36/28/63/1410362863.db2.gz RSCJHNLXSNZONC-MRXNPFEDSA-N -1 1 340.851 2.097 20 0 EEADMM CSc1nc(CNC(=O)c2cccc3ncccc32)cc(=O)[n-]1 ZINC001143613563 782411192 /nfs/dbraw/zinc/41/11/92/782411192.db2.gz SNYMJQQVDHWNSE-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(CO)ccc2OC)c1 ZINC001211523454 759964508 /nfs/dbraw/zinc/96/45/08/759964508.db2.gz XZFIASGIZWHMFK-UHFFFAOYSA-N -1 1 337.397 2.430 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@H](C(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000780513606 761255388 /nfs/dbraw/zinc/25/53/88/761255388.db2.gz TYJNMODHUYMJJE-ZFWWWQNUSA-N -1 1 337.420 2.133 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC000942754537 783118502 /nfs/dbraw/zinc/11/85/02/783118502.db2.gz CAFNYZOPYLHSIY-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(NC1CCC(NC(=O)[C@@H]2CC=CCC2)CC1)c1ncccc1[O-] ZINC000980060614 773795700 /nfs/dbraw/zinc/79/57/00/773795700.db2.gz LWHMKEVGJWPUNV-WLYUNCDWSA-N -1 1 343.427 2.301 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000942757943 783146036 /nfs/dbraw/zinc/14/60/36/783146036.db2.gz JITVMQWDTCIFSJ-FQNOHDAGSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1coc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000981966048 778700983 /nfs/dbraw/zinc/70/09/83/778700983.db2.gz MYTMCYPFEDWELK-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC[C@H]2CCCC2(F)F)c1[O-] ZINC001038164284 779747200 /nfs/dbraw/zinc/74/72/00/779747200.db2.gz IEAFCCUCYMVFAW-VXGBXAGGSA-N -1 1 342.390 2.053 20 0 EEADMM CCn1c(CCNC(=O)c2cn(C)c3ccccc23)n[n-]c1=S ZINC000067078299 780548730 /nfs/dbraw/zinc/54/87/30/780548730.db2.gz KDMFILSDPMDDQB-UHFFFAOYSA-N -1 1 329.429 2.425 20 0 EEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000060861261 790805967 /nfs/dbraw/zinc/80/59/67/790805967.db2.gz VLOVKUGGVCVXGS-UHFFFAOYSA-N -1 1 339.376 2.306 20 0 EEADMM CN(CCN(C)c1nc2cc(F)ccc2o1)C(=O)c1ncccc1[O-] ZINC001105376547 781075478 /nfs/dbraw/zinc/07/54/78/781075478.db2.gz XMQPKODYMWOECB-UHFFFAOYSA-N -1 1 344.346 2.276 20 0 EEADMM CC/C=C(\C)C(=O)NCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001075813993 781869778 /nfs/dbraw/zinc/86/97/78/781869778.db2.gz FHOUNJZMUHSFMF-JVOXIWMLSA-N -1 1 346.431 2.041 20 0 EEADMM CN(CC(F)F)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000809699928 783289158 /nfs/dbraw/zinc/28/91/58/783289158.db2.gz ZKXQMESRHCHEFM-UHFFFAOYSA-N -1 1 334.313 2.472 20 0 EEADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)NC(=O)OC(C)(C)C ZINC000809801172 783377099 /nfs/dbraw/zinc/37/70/99/783377099.db2.gz OGVVYBLRHMCRFA-MRVPVSSYSA-N -1 1 330.331 2.313 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)c1ccccc1 ZINC000945288173 783781369 /nfs/dbraw/zinc/78/13/69/783781369.db2.gz JTXRYHJDOYTIDV-DZGCQCFKSA-N -1 1 339.395 2.068 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945337516 783869513 /nfs/dbraw/zinc/86/95/13/783869513.db2.gz MFBNHFWWIVICCM-ZIAGYGMSSA-N -1 1 347.459 2.436 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035189539 784071768 /nfs/dbraw/zinc/07/17/68/784071768.db2.gz RDKCXSIVLIBATQ-UHFFFAOYSA-N -1 1 349.479 2.007 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCC3(CCCC3)C2)c1 ZINC000906882684 784208349 /nfs/dbraw/zinc/20/83/49/784208349.db2.gz ZMXWYMKOKJGFBF-UHFFFAOYSA-N -1 1 325.386 2.045 20 0 EEADMM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(F)(F)F ZINC000906988020 784303622 /nfs/dbraw/zinc/30/36/22/784303622.db2.gz VUPIKKRNZJSXQX-SCSAIBSYSA-N -1 1 349.689 2.406 20 0 EEADMM Cc1ccc(SCCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907473026 784642675 /nfs/dbraw/zinc/64/26/75/784642675.db2.gz BCOXRUCEWZXRQX-CYBMUJFWSA-N -1 1 349.485 2.307 20 0 EEADMM O=C([O-])[C@]1(C(=O)N2CCN(C3CCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000907801568 784856587 /nfs/dbraw/zinc/85/65/87/784856587.db2.gz UWYVPPMFQCFBEU-YLJYHZDGSA-N -1 1 342.439 2.332 20 0 EEADMM Cn1[n-]c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1=O ZINC000907816580 784883743 /nfs/dbraw/zinc/88/37/43/784883743.db2.gz VRTJIXCIIJCUAC-LBPRGKRZSA-N -1 1 343.431 2.184 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cn[nH]c3-c3ccccc3F)[C@@H]2C1 ZINC000907950865 784981411 /nfs/dbraw/zinc/98/14/11/784981411.db2.gz AQBDHHITZLIKLK-NOBRSGAKSA-N -1 1 343.358 2.445 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000908152036 785104165 /nfs/dbraw/zinc/10/41/65/785104165.db2.gz QDQXSPNKUHPORC-IAQYHMDHSA-N -1 1 327.384 2.220 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@@H](CCN2C(=O)C2CCCC2)C1 ZINC000945927959 785136663 /nfs/dbraw/zinc/13/66/63/785136663.db2.gz HVPSFSNKHLKLMO-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cnc([C@H](C)N[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)o1 ZINC000995714694 785283743 /nfs/dbraw/zinc/28/37/43/785283743.db2.gz YOYGHNVDZCBASW-GXTWGEPZSA-N -1 1 344.415 2.285 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)Cc1cnc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000908419447 785398785 /nfs/dbraw/zinc/39/87/85/785398785.db2.gz NOECCUWMACPRKW-GFCCVEGCSA-N -1 1 341.289 2.303 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC000946114045 785539723 /nfs/dbraw/zinc/53/97/23/785539723.db2.gz VWTOJJSMXRGWKV-OLZOCXBDSA-N -1 1 343.383 2.017 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908738959 785678697 /nfs/dbraw/zinc/67/86/97/785678697.db2.gz LYRGNSKFQKNKTN-GXTWGEPZSA-N -1 1 338.835 2.184 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CC1 ZINC000908746380 785685543 /nfs/dbraw/zinc/68/55/43/785685543.db2.gz ATAUTLIQRSQTSZ-JSGCOSHPSA-N -1 1 335.404 2.064 20 0 EEADMM CC(C)(CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000908773048 785693125 /nfs/dbraw/zinc/69/31/25/785693125.db2.gz GSWPDNJTMUQHCQ-CYBMUJFWSA-N -1 1 336.407 2.016 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)OC2CCCC2)c(F)c1 ZINC000819876536 785694358 /nfs/dbraw/zinc/69/43/58/785694358.db2.gz UVOORZFNLWRLGN-JTQLQIEISA-N -1 1 347.383 2.426 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2)C1 ZINC000908907727 785850251 /nfs/dbraw/zinc/85/02/51/785850251.db2.gz YHJMRBBUNOPVKW-DOMZBBRYSA-N -1 1 327.384 2.189 20 0 EEADMM O=C(NC/C=C/CNc1nc2c(cccc2F)o1)c1ncccc1[O-] ZINC001107138813 785961156 /nfs/dbraw/zinc/96/11/56/785961156.db2.gz ACRSCDCADADPAY-OWOJBTEDSA-N -1 1 342.330 2.466 20 0 EEADMM O=C(CC1CCCC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996144093 786082385 /nfs/dbraw/zinc/08/23/85/786082385.db2.gz KXYSAWRDXAZRAC-ILXRZTDVSA-N -1 1 343.427 2.229 20 0 EEADMM CN(C)C1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1 ZINC000909262666 786137542 /nfs/dbraw/zinc/13/75/42/786137542.db2.gz VNCFWIIOMNJHRR-QGZVFWFLSA-N -1 1 340.423 2.294 20 0 EEADMM C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909825563 786258326 /nfs/dbraw/zinc/25/83/26/786258326.db2.gz XIIJJMXDUIMGHN-NWANDNLSSA-N -1 1 341.411 2.278 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000909809779 786267562 /nfs/dbraw/zinc/26/75/62/786267562.db2.gz ULRLKZLTNKRCJW-MLGOLLRUSA-N -1 1 325.368 2.182 20 0 EEADMM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000909809778 786267810 /nfs/dbraw/zinc/26/78/10/786267810.db2.gz ULRLKZLTNKRCJW-LRDDRELGSA-N -1 1 325.368 2.182 20 0 EEADMM CCN(CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CC1 ZINC000909950195 786356474 /nfs/dbraw/zinc/35/64/74/786356474.db2.gz BOBOYSBYJDSLHC-HNNXBMFYSA-N -1 1 330.428 2.405 20 0 EEADMM Cc1cccc2c1CCC[C@@H]2NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909992365 786389210 /nfs/dbraw/zinc/38/92/10/786389210.db2.gz UUQPYALKRIOEBD-PBHICJAKSA-N -1 1 330.428 2.285 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000910096897 786445953 /nfs/dbraw/zinc/44/59/53/786445953.db2.gz DQTLCNNDORYJJQ-JQFCIGGWSA-N -1 1 339.395 2.332 20 0 EEADMM CCN(CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-])C1CC1 ZINC000910102080 786450174 /nfs/dbraw/zinc/45/01/74/786450174.db2.gz AODNDISRVVZBGE-LJQANCHMSA-N -1 1 330.428 2.159 20 0 EEADMM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccc3cncn3c2)n1 ZINC000910107331 786454981 /nfs/dbraw/zinc/45/49/81/786454981.db2.gz BGYAVKJZRZFWCP-ZDUSSCGKSA-N -1 1 342.380 2.466 20 0 EEADMM C[C@@H]1CCCN(C(=O)CC2CCCCC2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036512920 786563739 /nfs/dbraw/zinc/56/37/39/786563739.db2.gz MPXWLNQTSHFWKB-HIFRSBDPSA-N -1 1 349.479 2.197 20 0 EEADMM CC[C@H](NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccn1 ZINC000910359035 786688085 /nfs/dbraw/zinc/68/80/85/786688085.db2.gz IJKAWQWUJCLPHU-AWEZNQCLSA-N -1 1 339.399 2.257 20 0 EEADMM Cc1nc(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)ccc1C(=O)[O-] ZINC000910353075 786709665 /nfs/dbraw/zinc/70/96/65/786709665.db2.gz WZMYMAMZJICBSJ-KCQAQPDRSA-N -1 1 333.432 2.166 20 0 EEADMM O=C([O-])[C@H](CC1CC1)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000910383022 786727140 /nfs/dbraw/zinc/72/71/40/786727140.db2.gz URORKQUPJZURKD-IRXDYDNUSA-N -1 1 330.428 2.411 20 0 EEADMM CCn1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C1CC1 ZINC000821568005 786798936 /nfs/dbraw/zinc/79/89/36/786798936.db2.gz DAMMGCLFODYDME-UHFFFAOYSA-N -1 1 329.389 2.274 20 0 EEADMM CCn1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C1CC1 ZINC000821568005 786798942 /nfs/dbraw/zinc/79/89/42/786798942.db2.gz DAMMGCLFODYDME-UHFFFAOYSA-N -1 1 329.389 2.274 20 0 EEADMM CSc1nc(C)c(CCC(=O)NN2[C@@H](C)CCC[C@@H]2C)c(=O)[n-]1 ZINC000821692549 786853260 /nfs/dbraw/zinc/85/32/60/786853260.db2.gz FNJAQBGCBNICFG-QWRGUYRKSA-N -1 1 338.477 2.439 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000822167736 787062902 /nfs/dbraw/zinc/06/29/02/787062902.db2.gz HAFQEWKQFGCCTM-UHFFFAOYSA-N -1 1 346.343 2.415 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000822167736 787062910 /nfs/dbraw/zinc/06/29/10/787062910.db2.gz HAFQEWKQFGCCTM-UHFFFAOYSA-N -1 1 346.343 2.415 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000822221547 787093763 /nfs/dbraw/zinc/09/37/63/787093763.db2.gz UDORSRSHIADKQW-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM CC1CCC(C)(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)CC1 ZINC000996693470 787156047 /nfs/dbraw/zinc/15/60/47/787156047.db2.gz YDAYGJFZQNYTGJ-XYEKJYRLSA-N -1 1 349.479 2.053 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(c3cccc(F)c3)CCC2)C1 ZINC000910995128 787172645 /nfs/dbraw/zinc/17/26/45/787172645.db2.gz ZABHGBWJPDDDEZ-CQSZACIVSA-N -1 1 348.418 2.160 20 0 EEADMM CCCc1cc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])n[nH]1 ZINC000911052524 787197094 /nfs/dbraw/zinc/19/70/94/787197094.db2.gz HHKTYKXBCYHGFP-OAHLLOKOSA-N -1 1 329.356 2.023 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000911096175 787240284 /nfs/dbraw/zinc/24/02/84/787240284.db2.gz OSTWFJKBNBCBOO-MRXNPFEDSA-N -1 1 342.395 2.474 20 0 EEADMM CN(C)Cc1cc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC000911376963 787428862 /nfs/dbraw/zinc/42/88/62/787428862.db2.gz YXUQUJSRNXURIC-UHFFFAOYSA-N -1 1 344.386 2.444 20 0 EEADMM Cc1nc(C(=O)NCCN(C)Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000911493799 787489552 /nfs/dbraw/zinc/48/95/52/787489552.db2.gz OYPZVAOSTMEEEF-UHFFFAOYSA-N -1 1 345.374 2.089 20 0 EEADMM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000823189043 787601366 /nfs/dbraw/zinc/60/13/66/787601366.db2.gz QTKZILPIFARRLC-ZETCQYMHSA-N -1 1 327.171 2.447 20 0 EEADMM O=C(N[C@H](C1CC1)C1(CO)CCOCC1)c1c([O-])cccc1Cl ZINC000911978906 787849201 /nfs/dbraw/zinc/84/92/01/787849201.db2.gz CJDZUNPDBTVEKQ-OAHLLOKOSA-N -1 1 339.819 2.343 20 0 EEADMM Cc1cc(NC[C@@H](C)NC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001107690094 788069800 /nfs/dbraw/zinc/06/98/00/788069800.db2.gz KTANJUNNVKQWQS-GFCCVEGCSA-N -1 1 329.404 2.239 20 0 EEADMM C[C@H](CNc1nc(C(F)(F)F)cs1)NC(=O)c1ncccc1[O-] ZINC001107690321 788070969 /nfs/dbraw/zinc/07/09/69/788070969.db2.gz UFQBNJKXXQBJKE-SSDOTTSWSA-N -1 1 346.334 2.493 20 0 EEADMM CSCC[C@H](NC(=O)C(C)(C)c1ccccc1C)c1nn[n-]n1 ZINC000912860740 788420401 /nfs/dbraw/zinc/42/04/01/788420401.db2.gz WQLAPNVEBJQMRA-ZDUSSCGKSA-N -1 1 333.461 2.396 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](C)Cc1ccc(C)cc1)c1nn[n-]n1 ZINC000912861921 788424199 /nfs/dbraw/zinc/42/41/99/788424199.db2.gz CCMBEURKDLRMBP-OCCSQVGLSA-N -1 1 333.461 2.297 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)no1 ZINC000825414859 788623111 /nfs/dbraw/zinc/62/31/11/788623111.db2.gz QSZVUDNWOHGCCW-LBPRGKRZSA-N -1 1 329.385 2.292 20 0 EEADMM CCNC(=O)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843519616 788673205 /nfs/dbraw/zinc/67/32/05/788673205.db2.gz IDNGUXPWILTNKB-UHFFFAOYSA-N -1 1 325.142 2.338 20 0 EEADMM CCOCCC1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CCC1 ZINC000913436892 788872719 /nfs/dbraw/zinc/87/27/19/788872719.db2.gz IGQPGQOLVHJJMP-AWEZNQCLSA-N -1 1 329.404 2.002 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CC2CCCCC2)C1 ZINC001005953169 788998876 /nfs/dbraw/zinc/99/88/76/788998876.db2.gz RSPUXUKXENPVCK-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C2CCC=CCC2)C1 ZINC001005957060 789018887 /nfs/dbraw/zinc/01/88/87/789018887.db2.gz MLVUFFRTPMDKCC-ZDUSSCGKSA-N -1 1 343.427 2.110 20 0 EEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000844659889 789284351 /nfs/dbraw/zinc/28/43/51/789284351.db2.gz DXOJVJBCVGCAHM-AWEZNQCLSA-N -1 1 343.401 2.197 20 0 EEADMM NC(=O)c1csc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000165002152 789363126 /nfs/dbraw/zinc/36/31/26/789363126.db2.gz WTVDCRAAMSPPRH-UHFFFAOYSA-N -1 1 345.332 2.016 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCc3ccccc32)co1 ZINC000166415207 789681602 /nfs/dbraw/zinc/68/16/02/789681602.db2.gz NMPPAYMPRXCEHE-GFCCVEGCSA-N -1 1 335.381 2.075 20 0 EEADMM CSc1ccnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000845548931 789854048 /nfs/dbraw/zinc/85/40/48/789854048.db2.gz RXFYEFGMHAMQQC-VIFPVBQESA-N -1 1 334.367 2.093 20 0 EEADMM O=C(NC1CN(Cc2nsc3ccccc23)C1)c1ncccc1[O-] ZINC001030242829 789866886 /nfs/dbraw/zinc/86/68/86/789866886.db2.gz XVHFASILOMGJML-UHFFFAOYSA-N -1 1 340.408 2.011 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062841009 789933991 /nfs/dbraw/zinc/93/39/91/789933991.db2.gz UDOGGRONKABDGQ-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cnc3ccccc3n2)C1 ZINC001062922904 790018595 /nfs/dbraw/zinc/01/85/95/790018595.db2.gz CUGUTMRPLODXFK-ZDUSSCGKSA-N -1 1 349.394 2.081 20 0 EEADMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000846011225 790021775 /nfs/dbraw/zinc/02/17/75/790021775.db2.gz WGNCUQDUBVXIDY-QMMMGPOBSA-N -1 1 338.223 2.136 20 0 EEADMM C[C@@H](CC(=O)Nc1nc(Br)ccc1[O-])n1ccnc1 ZINC000845997472 790028754 /nfs/dbraw/zinc/02/87/54/790028754.db2.gz AZMWRFCSOXFPEE-QMMMGPOBSA-N -1 1 325.166 2.336 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](CNc2ncnc3ccccc32)C1 ZINC001060857026 790126385 /nfs/dbraw/zinc/12/63/85/790126385.db2.gz YAOBTWLPCZLVDM-CYBMUJFWSA-N -1 1 349.394 2.305 20 0 EEADMM COc1ccccc1[C@@H]1CCN(C(=O)c2c(CO)cnc(C)c2[O-])C1 ZINC001147834406 791990454 /nfs/dbraw/zinc/99/04/54/791990454.db2.gz STQTXXHZPPQDMP-CYBMUJFWSA-N -1 1 342.395 2.226 20 0 EEADMM COCCNc1cccc(F)c1NC(=O)c1c([O-])c(C)ncc1CO ZINC001147842782 792000382 /nfs/dbraw/zinc/00/03/82/792000382.db2.gz MWQSCFFYMXPWMT-UHFFFAOYSA-N -1 1 349.362 2.038 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1cc(Br)cs1 ZINC001147905873 792051469 /nfs/dbraw/zinc/05/14/69/792051469.db2.gz QAGLLMIUQMWKIE-UHFFFAOYSA-N -1 1 345.134 2.362 20 0 EEADMM Cc1nccc(NC[C@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064169976 792586388 /nfs/dbraw/zinc/58/63/88/792586388.db2.gz CSWRNDGKZRRLFO-ZIAGYGMSSA-N -1 1 341.415 2.286 20 0 EEADMM Cc1cc(NC[C@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])ncn1 ZINC001064171803 792592482 /nfs/dbraw/zinc/59/24/82/792592482.db2.gz QXSCSNDPZFLHGB-ZIAGYGMSSA-N -1 1 341.415 2.286 20 0 EEADMM Cc1c(F)c(F)cc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1F ZINC001148725877 792655629 /nfs/dbraw/zinc/65/56/29/792655629.db2.gz PYTKYMKABBQBGN-UHFFFAOYSA-N -1 1 328.206 2.264 20 0 EEADMM COC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(F)(F)F ZINC001148799643 792714351 /nfs/dbraw/zinc/71/43/51/792714351.db2.gz 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794210801 /nfs/dbraw/zinc/21/08/01/794210801.db2.gz VRKNQJAWKMCGKU-PKNBQFBNSA-N -1 1 345.378 2.157 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H](C)CC(C)C)C1 ZINC001079654332 795057000 /nfs/dbraw/zinc/05/70/00/795057000.db2.gz OVHVPZAMBVYVOT-CYBMUJFWSA-N -1 1 333.432 2.142 20 0 EEADMM CC[C@H](C)[C@@H](C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654013 795057079 /nfs/dbraw/zinc/05/70/79/795057079.db2.gz GHWBPYHFTHESII-QWHCGFSZSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(Br)cc1[O-] ZINC000715903564 795557173 /nfs/dbraw/zinc/55/71/73/795557173.db2.gz HLXSUYRJYZADRD-LBPRGKRZSA-N -1 1 342.189 2.180 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535997 795586554 /nfs/dbraw/zinc/58/65/54/795586554.db2.gz PSJKHERTYQLZIV-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](C)[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080362318 795892526 /nfs/dbraw/zinc/89/25/26/795892526.db2.gz RGTURCALKRTIEH-QWHCGFSZSA-N -1 1 333.432 2.142 20 0 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ZINC000187591433 529178364 /nfs/dbraw/zinc/17/83/64/529178364.db2.gz ZLVDLROUKQWUIO-ZDUSSCGKSA-N -1 1 333.413 2.383 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103228 577999529 /nfs/dbraw/zinc/99/95/29/577999529.db2.gz DZUOMYRXVFGYHA-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103228 577999530 /nfs/dbraw/zinc/99/95/30/577999530.db2.gz DZUOMYRXVFGYHA-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000738146297 578000855 /nfs/dbraw/zinc/00/08/55/578000855.db2.gz WAPTVAMBYYZCAN-UHFFFAOYSA-N -1 1 338.375 2.001 20 0 EEADMM Cc1[nH]c(C(=O)NCc2ccc(F)c(CN(C)C)c2)c(C)c1C(=O)[O-] ZINC000738156465 578001773 /nfs/dbraw/zinc/00/17/73/578001773.db2.gz KGXGXOSIIVYJIM-UHFFFAOYSA-N -1 1 347.390 2.460 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738151882 578001334 /nfs/dbraw/zinc/00/13/34/578001334.db2.gz ZVDCWVLYHFFBCD-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738151882 578001335 /nfs/dbraw/zinc/00/13/35/578001335.db2.gz ZVDCWVLYHFFBCD-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM Cc1cc2c[nH]nc2c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC000738327726 578009769 /nfs/dbraw/zinc/00/97/69/578009769.db2.gz NFXLKVRZPJZIJX-OAHLLOKOSA-N -1 1 337.335 2.364 20 0 EEADMM c1nc(-c2nn[n-]n2)nn1Cc1ccc(OCc2ccccc2)cc1 ZINC000738433562 578014889 /nfs/dbraw/zinc/01/48/89/578014889.db2.gz SSYMZTBUORMWGP-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038507 576253748 /nfs/dbraw/zinc/25/37/48/576253748.db2.gz ZZWCNSXHSPFIPQ-LBPRGKRZSA-N -1 1 338.396 2.229 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038507 576253749 /nfs/dbraw/zinc/25/37/49/576253749.db2.gz ZZWCNSXHSPFIPQ-LBPRGKRZSA-N -1 1 338.396 2.229 20 0 EEADMM O=C([O-])CSCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000739864553 576291956 /nfs/dbraw/zinc/29/19/56/576291956.db2.gz CRNHMZJIGRXYLI-INIZCTEOSA-N -1 1 336.457 2.148 20 0 EEADMM COc1ccc(OC)c2c1CN([C@H](C(=O)[O-])c1ccccc1)C[C@@H]2O ZINC000738048106 576293392 /nfs/dbraw/zinc/29/33/92/576293392.db2.gz OLWBWOYKYFYMCM-KSSFIOAISA-N -1 1 343.379 2.379 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2cscn2)o1 ZINC000728302291 576488914 /nfs/dbraw/zinc/48/89/14/576488914.db2.gz YZHVTXSRORXEOX-UHFFFAOYSA-N -1 1 344.414 2.170 20 0 EEADMM Nc1ncc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1Cl ZINC000728630395 576513811 /nfs/dbraw/zinc/51/38/11/576513811.db2.gz LFDINILEJUNMAG-UHFFFAOYSA-N -1 1 346.726 2.486 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(F)(F)F ZINC000733322373 577222471 /nfs/dbraw/zinc/22/24/71/577222471.db2.gz SWPVZJGKWRHUIB-QMMMGPOBSA-N -1 1 335.706 2.335 20 0 EEADMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773580148 577352585 /nfs/dbraw/zinc/35/25/85/577352585.db2.gz HUVVUNVDYUICQF-SNVBAGLBSA-N -1 1 335.335 2.066 20 0 EEADMM COc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c(OC)c1 ZINC000773707249 577360219 /nfs/dbraw/zinc/36/02/19/577360219.db2.gz PFLISGPZDSDSJL-UHFFFAOYSA-N -1 1 330.369 2.288 20 0 EEADMM COCCN(Cc1ccccc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773754564 577363021 /nfs/dbraw/zinc/36/30/21/577363021.db2.gz SOBOCNYUYIZVCX-UHFFFAOYSA-N -1 1 342.424 2.307 20 0 EEADMM COc1ccc(C)cc1N1C[C@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000774875692 577421553 /nfs/dbraw/zinc/42/15/53/577421553.db2.gz PJQKNHHSWLGOCV-CYBMUJFWSA-N -1 1 332.400 2.347 20 0 EEADMM O=C([N-]CCCOC(=O)c1cccc2cnccc21)C(F)(F)F ZINC000774960090 577424745 /nfs/dbraw/zinc/42/47/45/577424745.db2.gz ADUQDXOYYSOCLD-UHFFFAOYSA-N -1 1 326.274 2.460 20 0 EEADMM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)[N-]OCC(F)(F)F ZINC000766783207 577524775 /nfs/dbraw/zinc/52/47/75/577524775.db2.gz ACNQVEUYDLXKSN-UHFFFAOYSA-N -1 1 347.289 2.421 20 0 EEADMM CC(C)(C)NC(=O)CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000768192669 577551805 /nfs/dbraw/zinc/55/18/05/577551805.db2.gz BJGULLAYIFZQFN-UHFFFAOYSA-N -1 1 339.867 2.078 20 0 EEADMM Cc1cc(F)ccc1-n1cc(C(=O)[N-]c2nc(C3CC3)no2)nn1 ZINC000768400053 577555045 /nfs/dbraw/zinc/55/50/45/577555045.db2.gz CZBVKPYACPABIU-UHFFFAOYSA-N -1 1 328.307 2.228 20 0 EEADMM O=C(Nc1cccc([O-])c1F)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000762316500 577699179 /nfs/dbraw/zinc/69/91/79/577699179.db2.gz FZHARYPWKGTMTC-UHFFFAOYSA-N -1 1 343.289 2.469 20 0 EEADMM C[C@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)OC(C)(C)C ZINC000762797961 577708013 /nfs/dbraw/zinc/70/80/13/577708013.db2.gz VKHVTEJSPNXINN-QMMMGPOBSA-N -1 1 349.430 2.007 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1F ZINC000754759376 577812244 /nfs/dbraw/zinc/81/22/44/577812244.db2.gz RXNJMVBGQOJPIG-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM COC[C@](C)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)OC ZINC000757433786 577859655 /nfs/dbraw/zinc/85/96/55/577859655.db2.gz DRYJTCMRONMRGF-ZDUSSCGKSA-N -1 1 335.734 2.126 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)NC(=O)C2CCCC2)c1 ZINC000744794489 577903160 /nfs/dbraw/zinc/90/31/60/577903160.db2.gz 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Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000737776322 578269326 /nfs/dbraw/zinc/26/93/26/578269326.db2.gz LEAWLQUUSUWCFQ-KBPBESRZSA-N -1 1 345.366 2.243 20 0 EEADMM CC(=O)Nc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819826990 599040787 /nfs/dbraw/zinc/04/07/87/599040787.db2.gz OJGFMPKODBLYHB-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(=O)Nc1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819826990 599040790 /nfs/dbraw/zinc/04/07/90/599040790.db2.gz OJGFMPKODBLYHB-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccsc1 ZINC000818374255 597056167 /nfs/dbraw/zinc/05/61/67/597056167.db2.gz JDFGZYUWVIKJPQ-OCCSQVGLSA-N -1 1 339.461 2.247 20 0 EEADMM C[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000820142058 597806543 /nfs/dbraw/zinc/80/65/43/597806543.db2.gz NBOPXJAEBGNSOJ-GFCCVEGCSA-N -1 1 346.358 2.469 20 0 EEADMM CCOc1cccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821427516 607350964 /nfs/dbraw/zinc/35/09/64/607350964.db2.gz ULBBZZQXBHVBOP-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM CCOc1cccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821427516 607350965 /nfs/dbraw/zinc/35/09/65/607350965.db2.gz ULBBZZQXBHVBOP-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM OCCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC1 ZINC000823718024 599687713 /nfs/dbraw/zinc/68/77/13/599687713.db2.gz PIENPUXYKOJWTF-UHFFFAOYSA-N -1 1 339.403 2.165 20 0 EEADMM OCCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC1 ZINC000823718024 599687714 /nfs/dbraw/zinc/68/77/14/599687714.db2.gz PIENPUXYKOJWTF-UHFFFAOYSA-N -1 1 339.403 2.165 20 0 EEADMM C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405323029 600302447 /nfs/dbraw/zinc/30/24/47/600302447.db2.gz QXGNUPYGXRUJCI-UKRRQHHQSA-N -1 1 328.412 2.151 20 0 EEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000327465462 600330839 /nfs/dbraw/zinc/33/08/39/600330839.db2.gz WCZWNAQHFAILJD-PBHICJAKSA-N -1 1 345.443 2.196 20 0 EEADMM COc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832398823 601132145 /nfs/dbraw/zinc/13/21/45/601132145.db2.gz RGVMGBKHKAWEMN-CYBMUJFWSA-N -1 1 335.404 2.016 20 0 EEADMM O=C(CSc1n[nH]c(=S)s1)NC1(C(=O)[O-])CCCCCC1 ZINC000833116239 601274329 /nfs/dbraw/zinc/27/43/29/601274329.db2.gz OJIHZQXZEGDQEM-UHFFFAOYSA-N -1 1 347.487 2.213 20 0 EEADMM CCOc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000830104811 601362508 /nfs/dbraw/zinc/36/25/08/601362508.db2.gz UVAKVGZMOMZRCS-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM CC(C)(O)CCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826636668 601378964 /nfs/dbraw/zinc/37/89/64/601378964.db2.gz BMXQICJWRLNEBC-OAHLLOKOSA-N -1 1 340.851 2.244 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000832367635 601527326 /nfs/dbraw/zinc/52/73/26/601527326.db2.gz KIPCUXSKEQVYDP-JFGNBEQYSA-N -1 1 340.807 2.328 20 0 EEADMM COCCCn1c(C)cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000831705265 601936282 /nfs/dbraw/zinc/93/62/82/601936282.db2.gz HNQAPZIVONZTTN-SFHVURJKSA-N -1 1 336.432 2.121 20 0 EEADMM COC[C@H](C)n1c(C)cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000831651387 601942838 /nfs/dbraw/zinc/94/28/38/601942838.db2.gz XSDMGFFOWOGFIH-UGSOOPFHSA-N -1 1 336.432 2.292 20 0 EEADMM CCOc1ccc(OC)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000825643774 607550107 /nfs/dbraw/zinc/55/01/07/607550107.db2.gz UHAFDJSAQUWHDM-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM CCOc1ccc(OC)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000825643774 607550109 /nfs/dbraw/zinc/55/01/09/607550109.db2.gz UHAFDJSAQUWHDM-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000832589885 602228999 /nfs/dbraw/zinc/22/89/99/602228999.db2.gz VGXPAXFRJNKHGI-MLGOLLRUSA-N -1 1 336.432 2.304 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000827007109 604441242 /nfs/dbraw/zinc/44/12/42/604441242.db2.gz SIJVGXJZPDYCGL-AWEZNQCLSA-N -1 1 331.372 2.027 20 0 EEADMM C[C@H](Oc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1)C(=O)[O-] ZINC000833539571 604626866 /nfs/dbraw/zinc/62/68/66/604626866.db2.gz HPQCLEVVMCJOOB-BBRMVZONSA-N -1 1 335.400 2.266 20 0 EEADMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1cccnc1)O[C@@H](C)C2 ZINC000832103151 604777875 /nfs/dbraw/zinc/77/78/75/604777875.db2.gz MIQDFKBFHHFUCU-APPDUMDISA-N -1 1 328.368 2.329 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C/C=C/c3ccccc3)CC2)O1 ZINC000833578172 604828386 /nfs/dbraw/zinc/82/83/86/604828386.db2.gz IAFDQLXKLLPHFE-MOTZXUDYSA-N -1 1 342.439 2.465 20 0 EEADMM CCc1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC000833670725 605046557 /nfs/dbraw/zinc/04/65/57/605046557.db2.gz SLKDDBJGIOOEIA-GFCCVEGCSA-N -1 1 339.461 2.001 20 0 EEADMM COc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833731542 605100455 /nfs/dbraw/zinc/10/04/55/605100455.db2.gz IUFDRONIZKRGQX-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1F ZINC000833514225 605110632 /nfs/dbraw/zinc/11/06/32/605110632.db2.gz QDNJFYFRFWGSDY-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833655323 605132795 /nfs/dbraw/zinc/13/27/95/605132795.db2.gz CVUJXXIBAAZMRB-LSDHHAIUSA-N -1 1 348.443 2.322 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833655323 605132796 /nfs/dbraw/zinc/13/27/96/605132796.db2.gz CVUJXXIBAAZMRB-LSDHHAIUSA-N -1 1 348.443 2.322 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(OC)cc2C(=O)[O-])C[C@@H]1C ZINC000833658984 605166193 /nfs/dbraw/zinc/16/61/93/605166193.db2.gz XIVLNYKLFWNXTM-NWDGAFQWSA-N -1 1 335.404 2.340 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN3CCC4(C[C@H]4C(=O)[O-])CC3)C2)c1 ZINC000833752445 605348100 /nfs/dbraw/zinc/34/81/00/605348100.db2.gz JWPMUJJJFLKAHE-SJORKVTESA-N -1 1 342.439 2.455 20 0 EEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CCCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000833629841 605760370 /nfs/dbraw/zinc/76/03/70/605760370.db2.gz NCAANCXINNXOAB-HUUCEWRRSA-N -1 1 348.443 2.167 20 0 EEADMM C[C@@H](CN(CN1C[C@H](Cc2ccccc2)OC1=O)C1CC1)C(=O)[O-] ZINC000833516692 605786499 /nfs/dbraw/zinc/78/64/99/605786499.db2.gz SVAILFOTKILPMU-BBRMVZONSA-N -1 1 332.400 2.193 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CC2CC2)C2CCCCC2)n1 ZINC000822604880 606155750 /nfs/dbraw/zinc/15/57/50/606155750.db2.gz OCBCOOUZARRDQP-UHFFFAOYSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CC2CC2)C2CCCCC2)n1 ZINC000822604880 606155751 /nfs/dbraw/zinc/15/57/51/606155751.db2.gz OCBCOOUZARRDQP-UHFFFAOYSA-N -1 1 344.423 2.177 20 0 EEADMM C[C@@H](CCC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820243278 606166566 /nfs/dbraw/zinc/16/65/66/606166566.db2.gz ZORDBMGFHNNBJY-NSHDSACASA-N -1 1 346.439 2.471 20 0 EEADMM C[C@@H](CCC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820243278 606166567 /nfs/dbraw/zinc/16/65/67/606166567.db2.gz ZORDBMGFHNNBJY-NSHDSACASA-N -1 1 346.439 2.471 20 0 EEADMM CCCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821060335 606196715 /nfs/dbraw/zinc/19/67/15/606196715.db2.gz AUWHVHXHKKFMTL-UHFFFAOYSA-N -1 1 346.435 2.165 20 0 EEADMM Cc1cc(C)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC000822194471 606444842 /nfs/dbraw/zinc/44/48/42/606444842.db2.gz YRJPNRPOAVPPPN-UHFFFAOYSA-N -1 1 331.767 2.245 20 0 EEADMM Cc1cc(C)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC000822194471 606444843 /nfs/dbraw/zinc/44/48/43/606444843.db2.gz YRJPNRPOAVPPPN-UHFFFAOYSA-N -1 1 331.767 2.245 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823161288 606494122 /nfs/dbraw/zinc/49/41/22/606494122.db2.gz LYLSWBCHLFFQKK-GFCCVEGCSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823161288 606494123 /nfs/dbraw/zinc/49/41/23/606494123.db2.gz LYLSWBCHLFFQKK-GFCCVEGCSA-N -1 1 325.397 2.216 20 0 EEADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2nn[nH]n2)s1 ZINC000823382900 606504265 /nfs/dbraw/zinc/50/42/65/606504265.db2.gz GFXWQHNJOKERHR-UHFFFAOYSA-N -1 1 347.307 2.051 20 0 EEADMM CC(C)(C)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000819958534 606531268 /nfs/dbraw/zinc/53/12/68/606531268.db2.gz NVBBMYGLNBWKAC-UHFFFAOYSA-N -1 1 339.403 2.459 20 0 EEADMM CC(C)(C)c1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000819958534 606531270 /nfs/dbraw/zinc/53/12/70/606531270.db2.gz NVBBMYGLNBWKAC-UHFFFAOYSA-N -1 1 339.403 2.459 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c(cccc2F)s1 ZINC000823289642 606532803 /nfs/dbraw/zinc/53/28/03/606532803.db2.gz LHWWAIPZWMNUJT-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(cccc2F)s1 ZINC000823289642 606532804 /nfs/dbraw/zinc/53/28/04/606532804.db2.gz LHWWAIPZWMNUJT-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM CC(C)n1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000820396495 606559717 /nfs/dbraw/zinc/55/97/17/606559717.db2.gz FXZZRWMSHDYXOJ-VIFPVBQESA-N -1 1 331.405 2.197 20 0 EEADMM CC(C)n1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000820396495 606559718 /nfs/dbraw/zinc/55/97/18/606559718.db2.gz FXZZRWMSHDYXOJ-VIFPVBQESA-N -1 1 331.405 2.197 20 0 EEADMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000822233359 606565290 /nfs/dbraw/zinc/56/52/90/606565290.db2.gz NDKAWYYWRSFMTD-JTQLQIEISA-N -1 1 345.384 2.043 20 0 EEADMM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000822233359 606565292 /nfs/dbraw/zinc/56/52/92/606565292.db2.gz NDKAWYYWRSFMTD-JTQLQIEISA-N -1 1 345.384 2.043 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821360276 606572966 /nfs/dbraw/zinc/57/29/66/606572966.db2.gz QIZWHEYZGBBMSN-NEPJUHHUSA-N -1 1 333.417 2.006 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821360276 606572968 /nfs/dbraw/zinc/57/29/68/606572968.db2.gz QIZWHEYZGBBMSN-NEPJUHHUSA-N -1 1 333.417 2.006 20 0 EEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000820333450 606654627 /nfs/dbraw/zinc/65/46/27/606654627.db2.gz CCJADLSIVKYSIQ-GFCCVEGCSA-N -1 1 347.382 2.094 20 0 EEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000820333450 606654628 /nfs/dbraw/zinc/65/46/28/606654628.db2.gz CCJADLSIVKYSIQ-GFCCVEGCSA-N -1 1 347.382 2.094 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823436072 606750090 /nfs/dbraw/zinc/75/00/90/606750090.db2.gz GAMUCIFJPGHZDV-CABCVRRESA-N -1 1 335.367 2.184 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1Cc1ccccc1 ZINC000823436072 606750092 /nfs/dbraw/zinc/75/00/92/606750092.db2.gz GAMUCIFJPGHZDV-CABCVRRESA-N -1 1 335.367 2.184 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)s1 ZINC000822225241 607103565 /nfs/dbraw/zinc/10/35/65/607103565.db2.gz UUFPOTVXLMEBHX-UHFFFAOYSA-N -1 1 348.413 2.295 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)s1 ZINC000822225241 607103566 /nfs/dbraw/zinc/10/35/66/607103566.db2.gz UUFPOTVXLMEBHX-UHFFFAOYSA-N -1 1 348.413 2.295 20 0 EEADMM O=C(CCc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(F)cc1[O-] ZINC000822978629 607160399 /nfs/dbraw/zinc/16/03/99/607160399.db2.gz ONQRRNFGBLAMNR-UHFFFAOYSA-N -1 1 327.319 2.283 20 0 EEADMM COc1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826216635 607864374 /nfs/dbraw/zinc/86/43/74/607864374.db2.gz HXCRGOKHCNFMNM-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM COc1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826216635 607864375 /nfs/dbraw/zinc/86/43/75/607864375.db2.gz HXCRGOKHCNFMNM-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM C[C@H]1CN(c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)CCO1 ZINC000824993735 607899829 /nfs/dbraw/zinc/89/98/29/607899829.db2.gz RWZQWSLPGHABNO-LBPRGKRZSA-N -1 1 337.387 2.230 20 0 EEADMM C[C@H]1CN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)CCO1 ZINC000824993735 607899830 /nfs/dbraw/zinc/89/98/30/607899830.db2.gz RWZQWSLPGHABNO-LBPRGKRZSA-N -1 1 337.387 2.230 20 0 EEADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426984 608008890 /nfs/dbraw/zinc/00/88/90/608008890.db2.gz BUGONKLHTGQVFB-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426984 608008891 /nfs/dbraw/zinc/00/88/91/608008891.db2.gz BUGONKLHTGQVFB-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nnn[n-]2)s1 ZINC000826432494 608139970 /nfs/dbraw/zinc/13/99/70/608139970.db2.gz CEVVVXJPBKLIKT-MRVPVSSYSA-N -1 1 349.322 2.070 20 0 EEADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(-c2nn[n-]n2)s1 ZINC000826432494 608139971 /nfs/dbraw/zinc/13/99/71/608139971.db2.gz CEVVVXJPBKLIKT-MRVPVSSYSA-N -1 1 349.322 2.070 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000824414102 608140180 /nfs/dbraw/zinc/14/01/80/608140180.db2.gz UJCABNNBCLIBHA-QMMMGPOBSA-N -1 1 334.430 2.260 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000824414102 608140181 /nfs/dbraw/zinc/14/01/81/608140181.db2.gz UJCABNNBCLIBHA-QMMMGPOBSA-N -1 1 334.430 2.260 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826508344 608185108 /nfs/dbraw/zinc/18/51/08/608185108.db2.gz NAKUKPGWMGCGSB-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826508344 608185109 /nfs/dbraw/zinc/18/51/09/608185109.db2.gz NAKUKPGWMGCGSB-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM Fc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826378152 608676219 /nfs/dbraw/zinc/67/62/19/608676219.db2.gz XWEOXRSCXOHHOV-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccccc1[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826378152 608676220 /nfs/dbraw/zinc/67/62/20/608676220.db2.gz XWEOXRSCXOHHOV-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM c1cc(CN(Cc2ccc(-c3nnn[n-]3)o2)Cc2ccccc2)n[nH]1 ZINC000826521290 608679581 /nfs/dbraw/zinc/67/95/81/608679581.db2.gz HBPDGDMDNZISFF-UHFFFAOYSA-N -1 1 335.371 2.385 20 0 EEADMM c1cc(CN(Cc2ccc(-c3nn[n-]n3)o2)Cc2ccccc2)n[nH]1 ZINC000826521290 608679584 /nfs/dbraw/zinc/67/95/84/608679584.db2.gz HBPDGDMDNZISFF-UHFFFAOYSA-N -1 1 335.371 2.385 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890770097 675616145 /nfs/dbraw/zinc/61/61/45/675616145.db2.gz OSUAMRFYFJVBKA-MLGOLLRUSA-N -1 1 338.411 2.154 20 0 EEADMM CO[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613420 676722786 /nfs/dbraw/zinc/72/27/86/676722786.db2.gz GKVWFFHKACUHSN-HNNXBMFYSA-N -1 1 327.384 2.257 20 0 EEADMM Cn1nc(C(F)(F)F)cc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613480 676722895 /nfs/dbraw/zinc/72/28/95/676722895.db2.gz HSUUEIBHDYPSRS-UHFFFAOYSA-N -1 1 341.293 2.066 20 0 EEADMM O=C(CCCOc1cccnc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622612 676731286 /nfs/dbraw/zinc/73/12/86/676731286.db2.gz PWVKFLSUWDTXCD-UHFFFAOYSA-N -1 1 328.372 2.254 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1Cc2cc(F)ccc2O1 ZINC000891621536 676732476 /nfs/dbraw/zinc/73/24/76/676732476.db2.gz IZRDXNZHCFPWHY-AWEZNQCLSA-N -1 1 329.331 2.142 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(Br)cn1 ZINC000891623357 676732912 /nfs/dbraw/zinc/73/29/12/676732912.db2.gz QJNCCCPLRUJORW-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM Cc1cc(C)n([C@@H](C)CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n1 ZINC000891625146 676734009 /nfs/dbraw/zinc/73/40/09/676734009.db2.gz VFQZQMJZCMRJON-LBPRGKRZSA-N -1 1 329.404 2.464 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000891630774 676737582 /nfs/dbraw/zinc/73/75/82/676737582.db2.gz KBIFZKUKRGGSPL-FOSCPWQOSA-N -1 1 329.400 2.395 20 0 EEADMM COCc1nc(NCc2cccc(CN3CCCC3=O)c2)cc(=O)[n-]1 ZINC000891805902 676840481 /nfs/dbraw/zinc/84/04/81/676840481.db2.gz QUVOZEHUVJYUNI-UHFFFAOYSA-N -1 1 342.399 2.063 20 0 EEADMM COCc1nc(NCc2ccc(-n3nc(C)cc3C)nc2)cc(=O)[n-]1 ZINC000891892339 676891021 /nfs/dbraw/zinc/89/10/21/676891021.db2.gz XQPOGKPAROFPMS-UHFFFAOYSA-N -1 1 340.387 2.138 20 0 EEADMM Cn1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C2CCCC2)n1 ZINC000892151325 676915770 /nfs/dbraw/zinc/91/57/70/676915770.db2.gz BWJYUFXCSOLNQQ-UHFFFAOYSA-N -1 1 328.298 2.467 20 0 EEADMM Cc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001023327551 679253996 /nfs/dbraw/zinc/25/39/96/679253996.db2.gz FENNJYSLANULSM-AWEZNQCLSA-N -1 1 344.415 2.034 20 0 EEADMM CCc1cnc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001024407090 679891576 /nfs/dbraw/zinc/89/15/76/679891576.db2.gz KAMGGMVXEXJUCH-ZDUSSCGKSA-N -1 1 344.415 2.122 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC000937363515 681345594 /nfs/dbraw/zinc/34/55/94/681345594.db2.gz WQEGAFMNCSHVCY-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM COCc1nc(N2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000894249602 681563077 /nfs/dbraw/zinc/56/30/77/681563077.db2.gz RFFCUQQKHNETJV-NEPJUHHUSA-N -1 1 337.420 2.133 20 0 EEADMM CN(C(=O)C1CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212304 681687242 /nfs/dbraw/zinc/68/72/42/681687242.db2.gz UIOUEVUUKKTEDF-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C(=O)C[C@H]1C=CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216796 681699644 /nfs/dbraw/zinc/69/96/44/681699644.db2.gz MMDJTVRGNOAEPF-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)no1 ZINC001025395536 682668069 /nfs/dbraw/zinc/66/80/69/682668069.db2.gz ABFKJZDSGGDRGT-KBPBESRZSA-N -1 1 344.415 2.114 20 0 EEADMM CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973723466 683157780 /nfs/dbraw/zinc/15/77/80/683157780.db2.gz PCUFNYWRYPBSMU-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM COCc1nc(NCc2ccc(C)cc2O[C@H]2CCOC2)cc(=O)[n-]1 ZINC000892902653 683181997 /nfs/dbraw/zinc/18/19/97/683181997.db2.gz ZQZXAGSJPDJOKZ-AWEZNQCLSA-N -1 1 345.399 2.417 20 0 EEADMM COc1ccc(N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000909413210 683209394 /nfs/dbraw/zinc/20/93/94/683209394.db2.gz MTABAGORWGYSKK-NSHDSACASA-N -1 1 340.807 2.108 20 0 EEADMM CC(C)[C@H](C)CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059321252 684141466 /nfs/dbraw/zinc/14/14/66/684141466.db2.gz HCAZGBBTGAVXPQ-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H](CC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000984309584 684401170 /nfs/dbraw/zinc/40/11/70/684401170.db2.gz BYJITYAYVQGILP-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000984470140 684580467 /nfs/dbraw/zinc/58/04/67/684580467.db2.gz DUWAAXGNZKPFFA-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)[C@@H]1C[C@@H]1C ZINC000936411592 684645270 /nfs/dbraw/zinc/64/52/70/684645270.db2.gz NZXLIYRGHFYPLK-DZGCQCFKSA-N -1 1 345.443 2.144 20 0 EEADMM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000896224322 684901864 /nfs/dbraw/zinc/90/18/64/684901864.db2.gz KXPRUKDZORFCFH-PHIMTYICSA-N -1 1 345.330 2.257 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC=CCC1 ZINC000974469526 684959390 /nfs/dbraw/zinc/95/93/90/684959390.db2.gz QUOZDOZPBCPUQJ-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001059515986 686283052 /nfs/dbraw/zinc/28/30/52/686283052.db2.gz BWTPUPQSPRIWOG-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(CCCC1CC1)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516660 686287099 /nfs/dbraw/zinc/28/70/99/686287099.db2.gz RBUQVWHULWMTKX-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)(C)CC(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975218884 686312866 /nfs/dbraw/zinc/31/28/66/686312866.db2.gz HNFIBDYJFHNBFF-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(CC)C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975220716 686315151 /nfs/dbraw/zinc/31/51/51/686315151.db2.gz MXMDBEDDWURLET-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC1(C)CC(C(=O)NC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000975277083 686384369 /nfs/dbraw/zinc/38/43/69/686384369.db2.gz VTXOWISJXHMNSL-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccc(F)cc1)c1cccc(F)c1F ZINC000305198670 687062766 /nfs/dbraw/zinc/06/27/66/687062766.db2.gz JQPJYSXNPAZOSY-LBPRGKRZSA-N -1 1 331.315 2.116 20 0 EEADMM Cc1occc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976219030 687438169 /nfs/dbraw/zinc/43/81/69/687438169.db2.gz CEVGROQTTZRYEU-ZIAGYGMSSA-N -1 1 343.383 2.160 20 0 EEADMM CCCc1ccccc1S(=O)(=O)[N-]c1ccnc(OCCO)c1 ZINC000903188763 694216570 /nfs/dbraw/zinc/21/65/70/694216570.db2.gz IROQCULTZBOZID-UHFFFAOYSA-N -1 1 336.413 2.206 20 0 EEADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(CN(C)Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001029988937 688975675 /nfs/dbraw/zinc/97/56/75/688975675.db2.gz GGBTURVMGXBRJK-DZGCQCFKSA-N -1 1 349.479 2.007 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC([C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000986838111 688994308 /nfs/dbraw/zinc/99/43/08/688994308.db2.gz PIGNPYZBUCGSDZ-GFCCVEGCSA-N -1 1 349.406 2.408 20 0 EEADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029992705 689093503 /nfs/dbraw/zinc/09/35/03/689093503.db2.gz HPRRAQBLDWYLCW-FZKQIMNGSA-N -1 1 349.479 2.007 20 0 EEADMM O=C(N[C@H]1CCCCCN(C(=O)C2=CCCC2)C1)c1ncccc1[O-] ZINC000986988439 689185769 /nfs/dbraw/zinc/18/57/69/689185769.db2.gz VZNSHJDMKBJSAM-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866955330 689623524 /nfs/dbraw/zinc/62/35/24/689623524.db2.gz SZXLIEMTTBLDTO-CMPLNLGQSA-N -1 1 342.367 2.150 20 0 EEADMM COc1ccc(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263340549 689704378 /nfs/dbraw/zinc/70/43/78/689704378.db2.gz NHZQKSUPQISYLO-GHMZBOCLSA-N -1 1 340.807 2.330 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000988652492 690925279 /nfs/dbraw/zinc/92/52/79/690925279.db2.gz YJSJGTFPROIONY-HUUCEWRRSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC[S@]1=O ZINC000897566082 691626342 /nfs/dbraw/zinc/62/63/42/691626342.db2.gz FRAMLVCJRNXJIA-BSNNYGBQSA-N -1 1 333.409 2.234 20 0 EEADMM CCC(C)(CC)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977600330 692834730 /nfs/dbraw/zinc/83/47/30/692834730.db2.gz LSSWTWVQNIWYDR-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])CC1 ZINC000978109361 693307648 /nfs/dbraw/zinc/30/76/48/693307648.db2.gz WBJMTKIXCYOGLM-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1CC2(CCC2)C1 ZINC000978238936 693418416 /nfs/dbraw/zinc/41/84/16/693418416.db2.gz PJXOCXKFWXNQAD-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1CCC(c2ccccc2)CC1 ZINC000898756802 693442091 /nfs/dbraw/zinc/44/20/91/693442091.db2.gz MKQVYJJBAXKUER-UHFFFAOYSA-N -1 1 327.384 2.478 20 0 EEADMM Cc1cccc(CO[N-]C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 ZINC000898934888 693534735 /nfs/dbraw/zinc/53/47/35/693534735.db2.gz CRINPDWNCVSHEW-GNHJJJEISA-N -1 1 345.443 2.365 20 0 EEADMM O=C(CCC1CCC1)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943215610 1192107192 /nfs/dbraw/zinc/10/71/92/1192107192.db2.gz XOQLWSQITKBXDM-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC000943732995 1192504438 /nfs/dbraw/zinc/50/44/38/1192504438.db2.gz JVNPUIWTGHZUMH-TUVASFSCSA-N -1 1 347.463 2.178 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001408734727 1180117981 /nfs/dbraw/zinc/11/79/81/1180117981.db2.gz GRXMZIQYPASGJB-ZIAGYGMSSA-N -1 1 333.432 2.048 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001408845932 1180626513 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EEADMM O=C(N[C@H]1CCN(Cc2ccc(F)cc2F)C1)c1ncccc1[O-] ZINC001010727217 1223873333 /nfs/dbraw/zinc/87/33/33/1223873333.db2.gz OXAQKVPGAZGLHU-ZDUSSCGKSA-N -1 1 333.338 2.070 20 0 EEADMM CC(C)CC(=O)N1C[C@]2(C)CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001010929147 1223976665 /nfs/dbraw/zinc/97/66/65/1223976665.db2.gz LXBLHQBEUVZUNY-KDURUIRLSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001016486910 1226532679 /nfs/dbraw/zinc/53/26/79/1226532679.db2.gz VWTFWIXNEVEPCM-UHFFFAOYSA-N -1 1 329.400 2.007 20 0 EEADMM CN(C(=O)[C@@H]1CCCC1(C)C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016883980 1226942936 /nfs/dbraw/zinc/94/29/36/1226942936.db2.gz RRNBNGIDVUKDCZ-RUXDESIVSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(NC1(C2CCN(C(=O)C3CCC3)CC2)CC1)c1ncccc1[O-] ZINC001017153997 1227177557 /nfs/dbraw/zinc/17/75/57/1227177557.db2.gz KMQLVYHKIHUUPP-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(N[C@H]1CCN(c2nc3ccccc3s2)C1)c1ncccc1[O-] ZINC001058343978 1248890930 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Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)COc1cccc(F)c1 ZINC001350943465 1337774145 /nfs/dbraw/zinc/77/41/45/1337774145.db2.gz OCJDXRUOQUJWPD-QMMMGPOBSA-N -1 1 337.376 2.116 20 0 EEADMM O=C(c1ccc(Oc2ccccc2)o1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352586997 1337989495 /nfs/dbraw/zinc/98/94/95/1337989495.db2.gz VUQKYAYULLKWQB-LLVKDONJSA-N -1 1 325.328 2.215 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000847384824 1338009331 /nfs/dbraw/zinc/00/93/31/1338009331.db2.gz YYFYINBGSCXGQU-UJPOAAIJSA-N -1 1 347.381 2.416 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001610242162 1352193490 /nfs/dbraw/zinc/19/34/90/1352193490.db2.gz GVTHXWQBPQEQDB-UHFFFAOYSA-N -1 1 349.431 2.268 20 0 EEADMM CSc1cccc(F)c1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610387638 1352214779 /nfs/dbraw/zinc/21/47/79/1352214779.db2.gz WPMQYRFXGCNBBA-NSHDSACASA-N -1 1 340.420 2.169 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cc2s1 ZINC001610561111 1352244816 /nfs/dbraw/zinc/24/48/16/1352244816.db2.gz GBACBIIJSKXTAS-LLVKDONJSA-N -1 1 347.440 2.226 20 0 EEADMM Cn1cc(NS(=O)(=O)c2ccccc2-c2ccno2)cc1C(=O)[O-] ZINC001610605355 1352252722 /nfs/dbraw/zinc/25/27/22/1352252722.db2.gz AWAJPYRMADNQFR-UHFFFAOYSA-N -1 1 347.352 2.179 20 0 EEADMM O=C([O-])C1(c2ccc(S(=O)(=O)Nc3ccccc3O)cc2)CC1 ZINC001610730051 1352265873 /nfs/dbraw/zinc/26/58/73/1352265873.db2.gz RPSPNWZUVXEJAM-UHFFFAOYSA-N -1 1 333.365 2.309 20 0 EEADMM O=C([O-])C[C@]1(NCc2c(F)cccc2Br)CCOC1 ZINC001610757832 1352269752 /nfs/dbraw/zinc/26/97/52/1352269752.db2.gz FPWSHYGTNRVXQV-CYBMUJFWSA-N -1 1 332.169 2.312 20 0 EEADMM O=C([O-])COc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC001610785665 1352273982 /nfs/dbraw/zinc/27/39/82/1352273982.db2.gz KFXPQCGIDXXIIS-UHFFFAOYSA-N -1 1 329.287 2.418 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1 ZINC001610788321 1352274701 /nfs/dbraw/zinc/27/47/01/1352274701.db2.gz DDTDDXOMJZPVOV-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])c1cccc(CS(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 ZINC001610847297 1352284720 /nfs/dbraw/zinc/28/47/20/1352284720.db2.gz LANLYHJVSZJMHH-UHFFFAOYSA-N -1 1 349.290 2.069 20 0 EEADMM O=C([O-])c1coc(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001610868199 1352288043 /nfs/dbraw/zinc/28/80/43/1352288043.db2.gz YTVNNXAAHUEFHM-HNNXBMFYSA-N -1 1 328.368 2.372 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)c1[nH]nc2c1CCCC2 ZINC001610876873 1352289429 /nfs/dbraw/zinc/28/94/29/1352289429.db2.gz DOJNLMAQPZRQHX-CQSZACIVSA-N -1 1 332.331 2.280 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001431428538 1340592534 /nfs/dbraw/zinc/59/25/34/1340592534.db2.gz OEVWXAFZZJHYBN-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H](C)C(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001432910650 1341434271 /nfs/dbraw/zinc/43/42/71/1341434271.db2.gz ATDGBHOZBUOYBP-ZDUSSCGKSA-N -1 1 341.411 2.380 20 0 EEADMM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc([O-])cn1 ZINC001433640713 1341647269 /nfs/dbraw/zinc/64/72/69/1341647269.db2.gz AKFIOZQKVCQKQF-HNNXBMFYSA-N -1 1 343.408 2.249 20 0 EEADMM COc1ccc2c(c1)C[C@H](C)C[C@H]2Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC001553969312 1342388796 /nfs/dbraw/zinc/38/87/96/1342388796.db2.gz QDHOEBTVMKVBGJ-LKFCYVNXSA-N -1 1 325.372 2.176 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(F)(F)F ZINC000830514045 1372331158 /nfs/dbraw/zinc/33/11/58/1372331158.db2.gz BJQUHBUSBWOSPL-DTWKUNHWSA-N -1 1 339.326 2.309 20 0 EEADMM COC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579478939 1344387562 /nfs/dbraw/zinc/38/75/62/1344387562.db2.gz OCWVNWNACABOJV-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COc1ccc2cc(CN(C)c3cncc(-c4nnn[n-]4)n3)ccc2c1 ZINC001580052289 1344460133 /nfs/dbraw/zinc/46/01/33/1344460133.db2.gz YCCZWBFUXARPDG-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc2cc(CN(C)c3cncc(-c4nn[n-]n4)n3)ccc2c1 ZINC001580052289 1344460136 /nfs/dbraw/zinc/46/01/36/1344460136.db2.gz YCCZWBFUXARPDG-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM Cc1cc([C@@H]2CCCCN2Cc2nc(-c3nn[nH]n3)cs2)n[nH]1 ZINC001580916058 1344571956 /nfs/dbraw/zinc/57/19/56/1344571956.db2.gz XAZKWXRQTFQZLO-LBPRGKRZSA-N -1 1 330.421 2.082 20 0 EEADMM Cc1cnc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1C ZINC001581313766 1344615952 /nfs/dbraw/zinc/61/59/52/1344615952.db2.gz DXHMVAVIIVWHLA-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1nnc(N(C)CC2CCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581611381 1344644306 /nfs/dbraw/zinc/64/43/06/1344644306.db2.gz PLOHWWDNQRQMDZ-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM Cc1nnc(N(C)CC2CCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581611381 1344644308 /nfs/dbraw/zinc/64/43/08/1344644308.db2.gz PLOHWWDNQRQMDZ-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM Cc1onc(CC(=O)Nc2cc(F)cc(Cl)c2)c1-c1nnn[n-]1 ZINC001581739121 1344658648 /nfs/dbraw/zinc/65/86/48/1344658648.db2.gz DTYQAKQYYRAPNP-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM Cc1onc(CC(=O)Nc2cc(F)cc(Cl)c2)c1-c1nn[n-]n1 ZINC001581739121 1344658651 /nfs/dbraw/zinc/65/86/51/1344658651.db2.gz DTYQAKQYYRAPNP-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM Nc1cc(Cl)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581909655 1344687250 /nfs/dbraw/zinc/68/72/50/1344687250.db2.gz OFJRJVWWAGBRME-UHFFFAOYSA-N -1 1 334.792 2.094 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1cc(F)ccc1F ZINC001582133662 1344704427 /nfs/dbraw/zinc/70/44/27/1344704427.db2.gz PQWGGQUMRQXIKZ-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1cc(F)ccc1F ZINC001582133662 1344704432 /nfs/dbraw/zinc/70/44/32/1344704432.db2.gz PQWGGQUMRQXIKZ-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(Nc1ccc2c(c1)CCOC2)c1ccsc1-c1nnn[n-]1 ZINC001582642280 1344776033 /nfs/dbraw/zinc/77/60/33/1344776033.db2.gz CHNOKSLFMVXJFP-UHFFFAOYSA-N -1 1 327.369 2.253 20 0 EEADMM O=C(Nc1ccc2c(c1)CCOC2)c1ccsc1-c1nn[n-]n1 ZINC001582642280 1344776036 /nfs/dbraw/zinc/77/60/36/1344776036.db2.gz CHNOKSLFMVXJFP-UHFFFAOYSA-N -1 1 327.369 2.253 20 0 EEADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccsc1-c1nnn[n-]1 ZINC001582655173 1344778950 /nfs/dbraw/zinc/77/89/50/1344778950.db2.gz YTOBGEMZSGRGCW-UHFFFAOYSA-N -1 1 347.307 2.051 20 0 EEADMM O=C(Nc1nnc(C(F)(F)F)s1)c1ccsc1-c1nn[n-]n1 ZINC001582655173 1344778953 /nfs/dbraw/zinc/77/89/53/1344778953.db2.gz YTOBGEMZSGRGCW-UHFFFAOYSA-N -1 1 347.307 2.051 20 0 EEADMM c1ccc2c(c1)CCN2CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001582818469 1344797454 /nfs/dbraw/zinc/79/74/54/1344797454.db2.gz FGQDYTTYISEVFW-UHFFFAOYSA-N -1 1 348.414 2.009 20 0 EEADMM c1ccc2c(c1)CCN2CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001582818469 1344797458 /nfs/dbraw/zinc/79/74/58/1344797458.db2.gz FGQDYTTYISEVFW-UHFFFAOYSA-N -1 1 348.414 2.009 20 0 EEADMM O=C([O-])[C@@H]1C=C[C@H](NCc2cn3ccc(Br)cc3n2)C1 ZINC001353944590 1373041837 /nfs/dbraw/zinc/04/18/37/1373041837.db2.gz HRFAPSASNGEBBD-KOLCDFICSA-N -1 1 336.189 2.216 20 0 EEADMM Cc1nc([N-]S(=O)(=O)C2CCOCC2)ccc1Br ZINC000091508026 1357238512 /nfs/dbraw/zinc/23/85/12/1357238512.db2.gz DJXZFIMVJXYJTR-UHFFFAOYSA-N -1 1 335.223 2.073 20 0 EEADMM COc1cc(C(=O)N(C)c2nn[n-]n2)ccc1OCc1ccccc1 ZINC001586256089 1348848233 /nfs/dbraw/zinc/84/82/33/1348848233.db2.gz PFRGWLPGWIKMQR-UHFFFAOYSA-N -1 1 339.355 2.064 20 0 EEADMM CC(=O)c1c(C)cc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC001588888936 1348942266 /nfs/dbraw/zinc/94/22/66/1348942266.db2.gz ITXTZFYBGCIISE-UHFFFAOYSA-N -1 1 337.339 2.300 20 0 EEADMM CC(=O)c1c(C)cc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC001588888936 1348942270 /nfs/dbraw/zinc/94/22/70/1348942270.db2.gz ITXTZFYBGCIISE-UHFFFAOYSA-N -1 1 337.339 2.300 20 0 EEADMM CC(C)(C)[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001589098267 1348958406 /nfs/dbraw/zinc/95/84/06/1348958406.db2.gz ALHXNAAWRZYQPI-DGCLKSJQSA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001589098267 1348958413 /nfs/dbraw/zinc/95/84/13/1348958413.db2.gz ALHXNAAWRZYQPI-DGCLKSJQSA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589099036 1348958573 /nfs/dbraw/zinc/95/85/73/1348958573.db2.gz HXTZGJXFPTZDMI-CHWSQXEVSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589099036 1348958576 /nfs/dbraw/zinc/95/85/76/1348958576.db2.gz HXTZGJXFPTZDMI-CHWSQXEVSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001589104212 1348960133 /nfs/dbraw/zinc/96/01/33/1348960133.db2.gz BFFUBNHBURTFHA-JGVFFNPUSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001589104212 1348960136 /nfs/dbraw/zinc/96/01/36/1348960136.db2.gz BFFUBNHBURTFHA-JGVFFNPUSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)SCCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001589209067 1348970707 /nfs/dbraw/zinc/97/07/07/1348970707.db2.gz QBSGRDZUURTBRF-UHFFFAOYSA-N -1 1 334.449 2.190 20 0 EEADMM CC(C)(C)SCCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001589209067 1348970711 /nfs/dbraw/zinc/97/07/11/1348970711.db2.gz QBSGRDZUURTBRF-UHFFFAOYSA-N -1 1 334.449 2.190 20 0 EEADMM CC(C)(CC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001589267180 1348976612 /nfs/dbraw/zinc/97/66/12/1348976612.db2.gz KHHGKYFEQACGEN-UHFFFAOYSA-N -1 1 334.401 2.480 20 0 EEADMM CC(C)(CC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001589267180 1348976615 /nfs/dbraw/zinc/97/66/15/1348976615.db2.gz KHHGKYFEQACGEN-UHFFFAOYSA-N -1 1 334.401 2.480 20 0 EEADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC001589287079 1348980189 /nfs/dbraw/zinc/98/01/89/1348980189.db2.gz ZUXZKFLFQFMQFC-UHFFFAOYSA-N -1 1 325.372 2.458 20 0 EEADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC001589287079 1348980194 /nfs/dbraw/zinc/98/01/94/1348980194.db2.gz ZUXZKFLFQFMQFC-UHFFFAOYSA-N -1 1 325.372 2.458 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001589460978 1348992452 /nfs/dbraw/zinc/99/24/52/1348992452.db2.gz UNZCBCIAVWCQNU-OAHLLOKOSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001589460978 1348992454 /nfs/dbraw/zinc/99/24/54/1348992454.db2.gz UNZCBCIAVWCQNU-OAHLLOKOSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589520882 1349000792 /nfs/dbraw/zinc/00/07/92/1349000792.db2.gz KBILGDODGGVFBI-WFASDCNBSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589520882 1349000799 /nfs/dbraw/zinc/00/07/99/1349000799.db2.gz KBILGDODGGVFBI-WFASDCNBSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)CCc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]1 ZINC001589609757 1349011172 /nfs/dbraw/zinc/01/11/72/1349011172.db2.gz LMTPRBMACDISPZ-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM CC(C)CCc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]1 ZINC001589609757 1349011180 /nfs/dbraw/zinc/01/11/80/1349011180.db2.gz LMTPRBMACDISPZ-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(Cl)(Cl)Cl ZINC001590013212 1349107629 /nfs/dbraw/zinc/10/76/29/1349107629.db2.gz AKIZRCSJBYHLEX-BYPYZUCNSA-N -1 1 325.539 2.375 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(Cl)(Cl)Cl ZINC001590013212 1349107633 /nfs/dbraw/zinc/10/76/33/1349107633.db2.gz AKIZRCSJBYHLEX-BYPYZUCNSA-N -1 1 325.539 2.375 20 0 EEADMM C[C@H](Oc1ccccc1)c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590029411 1349116990 /nfs/dbraw/zinc/11/69/90/1349116990.db2.gz WJWCETWETFTIOP-JTQLQIEISA-N -1 1 335.327 2.452 20 0 EEADMM C[C@H](Oc1ccccc1)c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590029411 1349116994 /nfs/dbraw/zinc/11/69/94/1349116994.db2.gz WJWCETWETFTIOP-JTQLQIEISA-N -1 1 335.327 2.452 20 0 EEADMM C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590051392 1349131862 /nfs/dbraw/zinc/13/18/62/1349131862.db2.gz RYAGYMOFEPOAKH-SECBINFHSA-N -1 1 332.389 2.424 20 0 EEADMM CC1(C)CCC(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590088807 1349146532 /nfs/dbraw/zinc/14/65/32/1349146532.db2.gz BEXQTIKNCITJTJ-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM CC1(C)CCC(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590088807 1349146537 /nfs/dbraw/zinc/14/65/37/1349146537.db2.gz BEXQTIKNCITJTJ-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC(F)(F)C1 ZINC001590132248 1349169056 /nfs/dbraw/zinc/16/90/56/1349169056.db2.gz KIJMHOARLNZFRU-UHFFFAOYSA-N -1 1 342.737 2.080 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590245060 1349223789 /nfs/dbraw/zinc/22/37/89/1349223789.db2.gz SEQABGIETLFZKN-ZJUUUORDSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590245060 1349223794 /nfs/dbraw/zinc/22/37/94/1349223794.db2.gz SEQABGIETLFZKN-ZJUUUORDSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1COC2(CCC2)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590327154 1349266430 /nfs/dbraw/zinc/26/64/30/1349266430.db2.gz ZRLWOIGTZFIPCP-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H]1COC2(CCC2)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590327154 1349266434 /nfs/dbraw/zinc/26/64/34/1349266434.db2.gz ZRLWOIGTZFIPCP-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590400450 1349302605 /nfs/dbraw/zinc/30/26/05/1349302605.db2.gz QKNRYDGGMDEADO-OIBJUYFYSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590400450 1349302609 /nfs/dbraw/zinc/30/26/09/1349302609.db2.gz QKNRYDGGMDEADO-OIBJUYFYSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1ccccc1C ZINC001590445326 1349327044 /nfs/dbraw/zinc/32/70/44/1349327044.db2.gz JXESTWSHNRQNQY-CYBMUJFWSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1ccccc1C ZINC001590445326 1349327050 /nfs/dbraw/zinc/32/70/50/1349327050.db2.gz JXESTWSHNRQNQY-CYBMUJFWSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1c(C)noc1C ZINC001590459830 1349337637 /nfs/dbraw/zinc/33/76/37/1349337637.db2.gz MQZYWSOBDHWGDL-NSHDSACASA-N -1 1 330.348 2.254 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1c(C)noc1C ZINC001590459830 1349337646 /nfs/dbraw/zinc/33/76/46/1349337646.db2.gz MQZYWSOBDHWGDL-NSHDSACASA-N -1 1 330.348 2.254 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590483050 1349351406 /nfs/dbraw/zinc/35/14/06/1349351406.db2.gz JOUCQJIYEJWHMX-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590483050 1349351413 /nfs/dbraw/zinc/35/14/13/1349351413.db2.gz JOUCQJIYEJWHMX-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H]1C[C@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590502694 1349358070 /nfs/dbraw/zinc/35/80/70/1349358070.db2.gz CUVPYCVKGSMQDF-RNFRBKRXSA-N -1 1 342.812 2.120 20 0 EEADMM CCS[C@@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001590851251 1349405747 /nfs/dbraw/zinc/40/57/47/1349405747.db2.gz JXXFGMZTYXIBLC-SECBINFHSA-N -1 1 326.451 2.348 20 0 EEADMM CCS[C@@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001590851251 1349405754 /nfs/dbraw/zinc/40/57/54/1349405754.db2.gz JXXFGMZTYXIBLC-SECBINFHSA-N -1 1 326.451 2.348 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590829134 1349402231 /nfs/dbraw/zinc/40/22/31/1349402231.db2.gz WQTJKSDEFOEZFS-UHFFFAOYSA-N -1 1 329.316 2.125 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590829134 1349402236 /nfs/dbraw/zinc/40/22/36/1349402236.db2.gz WQTJKSDEFOEZFS-UHFFFAOYSA-N -1 1 329.316 2.125 20 0 EEADMM CCc1nc(Sc2c(OC)cccc2OC)cc(-c2nnn[n-]2)n1 ZINC001590925757 1349415686 /nfs/dbraw/zinc/41/56/86/1349415686.db2.gz VZAKCWTZLQIZOX-UHFFFAOYSA-N -1 1 344.400 2.388 20 0 EEADMM CCc1nc(Sc2c(OC)cccc2OC)cc(-c2nn[n-]n2)n1 ZINC001590925757 1349415689 /nfs/dbraw/zinc/41/56/89/1349415689.db2.gz VZAKCWTZLQIZOX-UHFFFAOYSA-N -1 1 344.400 2.388 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590964049 1349425639 /nfs/dbraw/zinc/42/56/39/1349425639.db2.gz SVEVYPMBHRABHE-UHFFFAOYSA-N -1 1 346.420 2.224 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590964049 1349425643 /nfs/dbraw/zinc/42/56/43/1349425643.db2.gz SVEVYPMBHRABHE-UHFFFAOYSA-N -1 1 346.420 2.224 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001591029110 1349432167 /nfs/dbraw/zinc/43/21/67/1349432167.db2.gz VVBUQDBWOJMNNX-UHFFFAOYSA-N -1 1 332.364 2.386 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001591029110 1349432172 /nfs/dbraw/zinc/43/21/72/1349432172.db2.gz VVBUQDBWOJMNNX-UHFFFAOYSA-N -1 1 332.364 2.386 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591035022 1349433136 /nfs/dbraw/zinc/43/31/36/1349433136.db2.gz YQIFIEBDGDWNQI-CQSZACIVSA-N -1 1 336.403 2.064 20 0 EEADMM COCCC1(CNC(=O)c2csc(-c3nn[n-]n3)c2)CCCC1 ZINC001591400868 1349481790 /nfs/dbraw/zinc/48/17/90/1349481790.db2.gz BICDNWRENHLAKC-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC001592172768 1349602194 /nfs/dbraw/zinc/60/21/94/1349602194.db2.gz VNYGMJJZWIYSIQ-UHFFFAOYSA-N -1 1 346.391 2.285 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2cc(C)ccc2F)c1-c1nn[n-]n1 ZINC001592172768 1349602200 /nfs/dbraw/zinc/60/22/00/1349602200.db2.gz VNYGMJJZWIYSIQ-UHFFFAOYSA-N -1 1 346.391 2.285 20 0 EEADMM Cc1[nH]nc(NC(=O)C(C)(C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001592328177 1349622420 /nfs/dbraw/zinc/62/24/20/1349622420.db2.gz RPPQOOJKVMDTAG-UHFFFAOYSA-N -1 1 345.794 2.468 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383345 1349625846 /nfs/dbraw/zinc/62/58/46/1349625846.db2.gz XWMSTNJVQGPNGU-UKRRQHHQSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383345 1349625847 /nfs/dbraw/zinc/62/58/47/1349625847.db2.gz XWMSTNJVQGPNGU-UKRRQHHQSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nn(C)c(NC(=O)c2csc3ccccc23)c1-c1nnn[n-]1 ZINC001592432537 1349632105 /nfs/dbraw/zinc/63/21/05/1349632105.db2.gz BJAZTTBEOCSGOZ-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nn(C)c(NC(=O)c2csc3ccccc23)c1-c1nn[n-]n1 ZINC001592432537 1349632107 /nfs/dbraw/zinc/63/21/07/1349632107.db2.gz BJAZTTBEOCSGOZ-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592479707 1349635680 /nfs/dbraw/zinc/63/56/80/1349635680.db2.gz OYXKJPNMFXIUOO-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592479707 1349635683 /nfs/dbraw/zinc/63/56/83/1349635683.db2.gz OYXKJPNMFXIUOO-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H](CCF)C2)c1-c1nnn[n-]1 ZINC001592479788 1349635852 /nfs/dbraw/zinc/63/58/52/1349635852.db2.gz FEYFRHNHUMPPNO-VIFPVBQESA-N -1 1 339.400 2.235 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H](CCF)C2)c1-c1nn[n-]n1 ZINC001592479788 1349635855 /nfs/dbraw/zinc/63/58/55/1349635855.db2.gz FEYFRHNHUMPPNO-VIFPVBQESA-N -1 1 339.400 2.235 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCSC[C@@H]1C1CC1 ZINC001592498742 1349637081 /nfs/dbraw/zinc/63/70/81/1349637081.db2.gz AQZMDHZNFXLOQR-GFCCVEGCSA-N -1 1 333.417 2.126 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCSC[C@@H]1C1CC1 ZINC001592498742 1349637082 /nfs/dbraw/zinc/63/70/82/1349637082.db2.gz AQZMDHZNFXLOQR-GFCCVEGCSA-N -1 1 333.417 2.126 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccccc1 ZINC001592504975 1349642985 /nfs/dbraw/zinc/64/29/85/1349642985.db2.gz VNCUBYRREPTYDG-UHFFFAOYSA-N -1 1 348.366 2.489 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccccc1 ZINC001592504975 1349642991 /nfs/dbraw/zinc/64/29/91/1349642991.db2.gz VNCUBYRREPTYDG-UHFFFAOYSA-N -1 1 348.366 2.489 20 0 EEADMM Clc1sc(NC2([C@@H]3CCCO3)CCC2)nc1-c1nn[n-]n1 ZINC001592543031 1349654288 /nfs/dbraw/zinc/65/42/88/1349654288.db2.gz KQUIWFBGVBUEQW-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCCC23CCCC3)n1 ZINC001592559968 1349657854 /nfs/dbraw/zinc/65/78/54/1349657854.db2.gz RFBXQRGSQRFZTE-GFCCVEGCSA-N -1 1 344.423 2.225 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCCC23CCCC3)n1 ZINC001592559968 1349657857 /nfs/dbraw/zinc/65/78/57/1349657857.db2.gz RFBXQRGSQRFZTE-GFCCVEGCSA-N -1 1 344.423 2.225 20 0 EEADMM FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)o1 ZINC001592612282 1349669213 /nfs/dbraw/zinc/66/92/13/1349669213.db2.gz CVTLWYJQOFSYNP-LDYMZIIASA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)[C@@H](C[C@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)o1 ZINC001592612282 1349669215 /nfs/dbraw/zinc/66/92/15/1349669215.db2.gz CVTLWYJQOFSYNP-LDYMZIIASA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)[C@@H](NCc1cccc(-c2nnn[n-]2)n1)c1nccs1 ZINC001592613824 1349671266 /nfs/dbraw/zinc/67/12/66/1349671266.db2.gz MGXPTVKXBRUCMW-VIFPVBQESA-N -1 1 341.322 2.111 20 0 EEADMM FC(F)(F)[C@@H](NCc1cccc(-c2nn[n-]n2)n1)c1nccs1 ZINC001592613824 1349671286 /nfs/dbraw/zinc/67/12/86/1349671286.db2.gz MGXPTVKXBRUCMW-VIFPVBQESA-N -1 1 341.322 2.111 20 0 EEADMM Fc1ccc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1F ZINC001592648768 1349694579 /nfs/dbraw/zinc/69/45/79/1349694579.db2.gz XFONCQBIVDUDIX-CQSZACIVSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1F ZINC001592648768 1349694582 /nfs/dbraw/zinc/69/45/82/1349694582.db2.gz XFONCQBIVDUDIX-CQSZACIVSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc(CC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001592648904 1349694645 /nfs/dbraw/zinc/69/46/45/1349694645.db2.gz JOYGDYLPEJWVAB-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccc(CC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001592648904 1349694649 /nfs/dbraw/zinc/69/46/49/1349694649.db2.gz JOYGDYLPEJWVAB-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=C(CSC(F)(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592901193 1349727258 /nfs/dbraw/zinc/72/72/58/1349727258.db2.gz DTANLCHZYLSIIH-UHFFFAOYSA-N -1 1 344.731 2.168 20 0 EEADMM O=C(NCC[C@@H]1CC1(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593059776 1349735241 /nfs/dbraw/zinc/73/52/41/1349735241.db2.gz DETBDZYXBNTVCV-MRVPVSSYSA-N -1 1 332.314 2.123 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593243869 1349748575 /nfs/dbraw/zinc/74/85/75/1349748575.db2.gz JZFOEHOPVLIWRA-RYUDHWBXSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593243869 1349748576 /nfs/dbraw/zinc/74/85/76/1349748576.db2.gz JZFOEHOPVLIWRA-RYUDHWBXSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001593255746 1349751679 /nfs/dbraw/zinc/75/16/79/1349751679.db2.gz JKMGYRRWNMUULE-NUEKZKHPSA-N -1 1 347.382 2.112 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001593255746 1349751686 /nfs/dbraw/zinc/75/16/86/1349751686.db2.gz JKMGYRRWNMUULE-NUEKZKHPSA-N -1 1 347.382 2.112 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCC2(CCCC2)C1 ZINC001593256398 1349753208 /nfs/dbraw/zinc/75/32/08/1349753208.db2.gz RZRXQPLNYSBPNG-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCC2(CCCC2)C1 ZINC001593256398 1349753213 /nfs/dbraw/zinc/75/32/13/1349753213.db2.gz RZRXQPLNYSBPNG-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCC[C@@H](F)C1 ZINC001593263807 1349754775 /nfs/dbraw/zinc/75/47/75/1349754775.db2.gz FPTDLITYASDLFE-PHDIDXHHSA-N -1 1 345.791 2.379 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCCS1 ZINC001593263360 1349754928 /nfs/dbraw/zinc/75/49/28/1349754928.db2.gz NQNIEZDPTWUSAB-YFKPBYRVSA-N -1 1 330.826 2.201 20 0 EEADMM O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593281893 1349761094 /nfs/dbraw/zinc/76/10/94/1349761094.db2.gz MQDLTXFPZVJVEK-IMTBSYHQSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593281893 1349761096 /nfs/dbraw/zinc/76/10/96/1349761096.db2.gz MQDLTXFPZVJVEK-IMTBSYHQSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283592 1349761809 /nfs/dbraw/zinc/76/18/09/1349761809.db2.gz AOBUMYQNPUOYMK-GBIKHYSHSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283592 1349761812 /nfs/dbraw/zinc/76/18/12/1349761812.db2.gz AOBUMYQNPUOYMK-GBIKHYSHSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCc2cccnc21 ZINC001593298489 1349771354 /nfs/dbraw/zinc/77/13/54/1349771354.db2.gz DXPSVQPVMXMJFA-NSHDSACASA-N -1 1 327.369 2.096 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001593335582 1349781877 /nfs/dbraw/zinc/78/18/77/1349781877.db2.gz PTJXGCBNJFBMLR-AOOOYVTPSA-N -1 1 332.795 2.177 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCn2c(cc3ccccc32)C1 ZINC001593339058 1349784420 /nfs/dbraw/zinc/78/44/20/1349784420.db2.gz MFTUSYGVYXZKPU-UHFFFAOYSA-N -1 1 348.366 2.461 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCn2c(cc3ccccc32)C1 ZINC001593339058 1349784428 /nfs/dbraw/zinc/78/44/28/1349784428.db2.gz MFTUSYGVYXZKPU-UHFFFAOYSA-N -1 1 348.366 2.461 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCCc2occc2C1 ZINC001593349761 1349788166 /nfs/dbraw/zinc/78/81/66/1349788166.db2.gz FFGDRMVWXKKMOM-UHFFFAOYSA-N -1 1 327.319 2.187 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCCc2occc2C1 ZINC001593349761 1349788171 /nfs/dbraw/zinc/78/81/71/1349788171.db2.gz FFGDRMVWXKKMOM-UHFFFAOYSA-N -1 1 327.319 2.187 20 0 EEADMM O[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC001593506277 1349823512 /nfs/dbraw/zinc/82/35/12/1349823512.db2.gz IKQOEWTZMCKFOZ-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC001593506277 1349823519 /nfs/dbraw/zinc/82/35/19/1349823519.db2.gz IKQOEWTZMCKFOZ-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM c1ccc(SC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001593577209 1349859353 /nfs/dbraw/zinc/85/93/53/1349859353.db2.gz BGDPBBQAJFFAMM-UHFFFAOYSA-N -1 1 325.401 2.394 20 0 EEADMM c1ccc(SC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001593577209 1349859357 /nfs/dbraw/zinc/85/93/57/1349859357.db2.gz BGDPBBQAJFFAMM-UHFFFAOYSA-N -1 1 325.401 2.394 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1nccnc1-c1nn[n-]n1 ZINC001593579856 1349860301 /nfs/dbraw/zinc/86/03/01/1349860301.db2.gz DVIZMXVEPLGNJI-GFCCVEGCSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2nc(NCCNc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC001593582587 1349864693 /nfs/dbraw/zinc/86/46/93/1349864693.db2.gz PPRFMCMYQUUHBR-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2cnnn2-c2ccccc2)n1C ZINC001599996027 1349951778 /nfs/dbraw/zinc/95/17/78/1349951778.db2.gz ZNIBXUFCYUOAEN-LBPRGKRZSA-N -1 1 339.399 2.463 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)c(C)o1 ZINC001600091176 1349969422 /nfs/dbraw/zinc/96/94/22/1349969422.db2.gz WDFUTMANMOERMJ-UHFFFAOYSA-N -1 1 345.399 2.317 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N2CCC(Cc3n[nH]c(C(C)C)n3)CC2)n1 ZINC001600128105 1349975679 /nfs/dbraw/zinc/97/56/79/1349975679.db2.gz XHZWFMXBXITYKJ-UHFFFAOYSA-N -1 1 344.419 2.184 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N2CCC(Cc3nnc(C(C)C)[nH]3)CC2)n1 ZINC001600128105 1349975685 /nfs/dbraw/zinc/97/56/85/1349975685.db2.gz XHZWFMXBXITYKJ-UHFFFAOYSA-N -1 1 344.419 2.184 20 0 EEADMM Cc1cc(CN[C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc(C)n1 ZINC001600204970 1349992389 /nfs/dbraw/zinc/99/23/89/1349992389.db2.gz IQIQDMHTCFQTOH-QGZVFWFLSA-N -1 1 339.395 2.440 20 0 EEADMM Cc1cc(CN[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1C(=O)[O-] ZINC001600210649 1349993956 /nfs/dbraw/zinc/99/39/56/1349993956.db2.gz VUOSUDHNZQRXKH-ZDUSSCGKSA-N -1 1 336.388 2.334 20 0 EEADMM Cc1ccc2c(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])csc2c1 ZINC001600491037 1350064491 /nfs/dbraw/zinc/06/44/91/1350064491.db2.gz OHZSNTDGEIASEP-CYBMUJFWSA-N -1 1 329.381 2.359 20 0 EEADMM Cc1ccc2cccc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c2n1 ZINC001600501003 1350067413 /nfs/dbraw/zinc/06/74/13/1350067413.db2.gz ZLNBDNZEVMLTJJ-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc2nc(CN3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc(=O)n2c1 ZINC001600504283 1350068451 /nfs/dbraw/zinc/06/84/51/1350068451.db2.gz XSOYLGMFDLOOLN-OWCLPIDISA-N -1 1 341.411 2.078 20 0 EEADMM Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001600521199 1350071852 /nfs/dbraw/zinc/07/18/52/1350071852.db2.gz AMXROPSKFQMWCP-KKUMJFAQSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001600576875 1350087680 /nfs/dbraw/zinc/08/76/80/1350087680.db2.gz JDZUAOQGDHPCCH-HNNXBMFYSA-N -1 1 332.444 2.229 20 0 EEADMM Cc1csc2nc(C)c(CN3CCSC[C@H]3CC(=O)[O-])n12 ZINC001600731068 1350123355 /nfs/dbraw/zinc/12/33/55/1350123355.db2.gz HWRVWSKSQDFFKX-LLVKDONJSA-N -1 1 325.459 2.405 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600857646 1350153766 /nfs/dbraw/zinc/15/37/66/1350153766.db2.gz KLQWSDJBDHZSQO-ZDUSSCGKSA-N -1 1 344.411 2.291 20 0 EEADMM Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001600982743 1350182292 /nfs/dbraw/zinc/18/22/92/1350182292.db2.gz KJBAJGYKCXCSFG-LAQIPUCWSA-N -1 1 345.399 2.057 20 0 EEADMM NC(=O)[C@H](F)C1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001601139902 1350219240 /nfs/dbraw/zinc/21/92/40/1350219240.db2.gz YXXVJHGXRSOIJL-CHWSQXEVSA-N -1 1 346.761 2.140 20 0 EEADMM O=C([O-])c1coc(CNCCNC(=O)CCCc2ccccc2)c1 ZINC001601270475 1350245978 /nfs/dbraw/zinc/24/59/78/1350245978.db2.gz KNPZEFIJLIWDCK-UHFFFAOYSA-N -1 1 330.384 2.207 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001601426100 1350281847 /nfs/dbraw/zinc/28/18/47/1350281847.db2.gz REFISRPIKACDPL-RRFJBIMHSA-N -1 1 342.399 2.096 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1cccc(F)c1O)CCS2 ZINC001601445626 1350285047 /nfs/dbraw/zinc/28/50/47/1350285047.db2.gz LDOWNMSOZDADCB-MAXPVNGDSA-N -1 1 339.388 2.390 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc2cncn2c1)Cc1cccc(F)c1 ZINC001601461515 1350289370 /nfs/dbraw/zinc/28/93/70/1350289370.db2.gz GUUXLXDVAZDXLW-CQSZACIVSA-N -1 1 341.342 2.147 20 0 EEADMM O=C([O-])C1=NO[C@H](CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)C1 ZINC001601739132 1350351886 /nfs/dbraw/zinc/35/18/86/1350351886.db2.gz CYHXHWRSWNCSRJ-LBPRGKRZSA-N -1 1 344.396 2.282 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cccc2[nH]cnc21 ZINC001601871964 1350386519 /nfs/dbraw/zinc/38/65/19/1350386519.db2.gz FSKKMQZRYVZNFI-MRXNPFEDSA-N -1 1 337.335 2.223 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC001601967469 1350406978 /nfs/dbraw/zinc/40/69/78/1350406978.db2.gz FCRHYAPBMDTDMW-QMMMGPOBSA-N -1 1 349.330 2.443 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)c2cccc3c2OCCNC3)cc1 ZINC001602040502 1350424401 /nfs/dbraw/zinc/42/44/01/1350424401.db2.gz AHNBLNDFGRKJAO-UHFFFAOYSA-N -1 1 340.379 2.438 20 0 EEADMM O=C([O-])CNC(=O)[C@H]1CCC[N@H+]1CCCc1cccc2ccccc21 ZINC001602065909 1350430126 /nfs/dbraw/zinc/43/01/26/1350430126.db2.gz ABPRGXKNWPHTNE-GOSISDBHSA-N -1 1 340.423 2.438 20 0 EEADMM O=C([O-])COc1ccccc1CN[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001602096067 1350436687 /nfs/dbraw/zinc/43/66/87/1350436687.db2.gz JEDCTUPFZDPAMT-HNNXBMFYSA-N -1 1 340.379 2.045 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC001602133129 1350446501 /nfs/dbraw/zinc/44/65/01/1350446501.db2.gz UNTQNGTVISMTTE-GOSISDBHSA-N -1 1 338.407 2.318 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cn3ccnc3s2)C1 ZINC001602195902 1350462791 /nfs/dbraw/zinc/46/27/91/1350462791.db2.gz OSHYXMGYWXIQDX-BDAKNGLRSA-N -1 1 333.335 2.481 20 0 EEADMM O=C([O-])c1cccc(CSc2nc(O)cc(=O)n2C2CCCC2)n1 ZINC001602441896 1350520588 /nfs/dbraw/zinc/52/05/88/1350520588.db2.gz YDKZWTJLESNGKZ-UHFFFAOYSA-N -1 1 347.396 2.450 20 0 EEADMM O=C([O-])c1cccc2c1CCN([C@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC001602457133 1350523406 /nfs/dbraw/zinc/52/34/06/1350523406.db2.gz JWYGNTRCRAXGDP-CVEARBPZSA-N -1 1 335.375 2.377 20 0 EEADMM O=C([O-])c1ccccc1CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC001602466184 1350525766 /nfs/dbraw/zinc/52/57/66/1350525766.db2.gz IIRWIXXNKCRSBC-MRXNPFEDSA-N -1 1 330.428 2.404 20 0 EEADMM O=C([O-])c1ccccc1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC001602468723 1350526274 /nfs/dbraw/zinc/52/62/74/1350526274.db2.gz JOCWZVHFZYQTKR-INIZCTEOSA-N -1 1 328.368 2.259 20 0 EEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC001602486441 1350530107 /nfs/dbraw/zinc/53/01/07/1350530107.db2.gz CQQHGLOMVUPKEI-UHFFFAOYSA-N -1 1 335.366 2.190 20 0 EEADMM O=C([O-])c1cnc(NS(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC001602535421 1350540738 /nfs/dbraw/zinc/54/07/38/1350540738.db2.gz CRJQBVVTIBSVRX-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1nccc2c1cccc2S(=O)(=O)Nc1cncc(F)c1 ZINC001602575804 1350549930 /nfs/dbraw/zinc/54/99/30/1350549930.db2.gz JCLBHEMRKOMCPU-UHFFFAOYSA-N -1 1 347.327 2.268 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001602624766 1350560530 /nfs/dbraw/zinc/56/05/30/1350560530.db2.gz IIZKYJLVXBYROO-SFHVURJKSA-N -1 1 325.368 2.156 20 0 EEADMM O=C([O-])c1cccc(CN2CCC([C@@H]3COC(=O)N3)CC2)c1Cl ZINC001602655408 1350566768 /nfs/dbraw/zinc/56/67/68/1350566768.db2.gz HCTZQKNCKDMXPE-ZDUSSCGKSA-N -1 1 338.791 2.359 20 0 EEADMM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001602899311 1350601974 /nfs/dbraw/zinc/60/19/74/1350601974.db2.gz YKPDIXYDFGXMST-PKNBQFBNSA-N -1 1 338.346 2.467 20 0 EEADMM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001602899311 1350601976 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/nfs/dbraw/zinc/13/95/10/1351139510.db2.gz AJOMAZLGHNEMCI-LBPRGKRZSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ccccc1OC[C@@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001605334908 1351139511 /nfs/dbraw/zinc/13/95/11/1351139511.db2.gz AJOMAZLGHNEMCI-LBPRGKRZSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ncc(NC(=O)c2occc2C(C)C)cc1-c1nn[n-]n1 ZINC001605349026 1351142740 /nfs/dbraw/zinc/14/27/40/1351142740.db2.gz UIBRUZVWMSNJEJ-UHFFFAOYSA-N -1 1 328.332 2.239 20 0 EEADMM Cc1nc2c(s1)[C@@H](N(C)c1nc(C)cc(-c3nnn[n-]3)n1)CCC2 ZINC001605553987 1351189723 /nfs/dbraw/zinc/18/97/23/1351189723.db2.gz AUJGBWLBFAXKGJ-LBPRGKRZSA-N -1 1 342.432 2.244 20 0 EEADMM Cc1nc2c(s1)[C@@H](N(C)c1nc(C)cc(-c3nn[n-]n3)n1)CCC2 ZINC001605553987 1351189726 /nfs/dbraw/zinc/18/97/26/1351189726.db2.gz AUJGBWLBFAXKGJ-LBPRGKRZSA-N -1 1 342.432 2.244 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(F)c(C)c2)c1-c1nnn[n-]1 ZINC001605660275 1351212252 /nfs/dbraw/zinc/21/22/52/1351212252.db2.gz DGKCKYSADOIQLS-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(F)c(C)c2)c1-c1nn[n-]n1 ZINC001605660275 1351212254 /nfs/dbraw/zinc/21/22/54/1351212254.db2.gz DGKCKYSADOIQLS-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1cc(F)cc2c1CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001605682145 1351215277 /nfs/dbraw/zinc/21/52/77/1351215277.db2.gz KCMPPEXPRWFTFP-UHFFFAOYSA-N -1 1 330.392 2.329 20 0 EEADMM Cc1cc(F)cc2c1CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001605682145 1351215280 /nfs/dbraw/zinc/21/52/80/1351215280.db2.gz KCMPPEXPRWFTFP-UHFFFAOYSA-N -1 1 330.392 2.329 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001605842061 1351234096 /nfs/dbraw/zinc/23/40/96/1351234096.db2.gz QAWZBVAHOPBTSF-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001605842061 1351234098 /nfs/dbraw/zinc/23/40/98/1351234098.db2.gz QAWZBVAHOPBTSF-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc2c(ccc(C)c2Cn2cnc(-c3nn[n-]n3)cc2=O)c1 ZINC001605888048 1351246933 /nfs/dbraw/zinc/24/69/33/1351246933.db2.gz WMAABBLLTFTEAA-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM Cc1ccc2oc(C(=O)NCc3nc(-c4nnn[n-]4)cs3)cc2c1 ZINC001605894770 1351248729 /nfs/dbraw/zinc/24/87/29/1351248729.db2.gz PHUOFMJKORDKMS-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1ccc2oc(C(=O)NCc3nc(-c4nn[n-]n4)cs3)cc2c1 ZINC001605894770 1351248731 /nfs/dbraw/zinc/24/87/31/1351248731.db2.gz PHUOFMJKORDKMS-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CC(F)(F)F)C2)n1 ZINC001606021691 1351264313 /nfs/dbraw/zinc/26/43/13/1351264313.db2.gz YJXIBMSZPHKDJD-SECBINFHSA-N -1 1 327.314 2.134 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CC(F)(F)F)C2)n1 ZINC001606021691 1351264317 /nfs/dbraw/zinc/26/43/17/1351264317.db2.gz YJXIBMSZPHKDJD-SECBINFHSA-N -1 1 327.314 2.134 20 0 EEADMM Cc1oc(C(C)(C)C)cc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001606171572 1351281476 /nfs/dbraw/zinc/28/14/76/1351281476.db2.gz DTNXRBCRZQZBFH-UHFFFAOYSA-N -1 1 329.364 2.051 20 0 EEADMM Cc1oc(C(C)(C)C)cc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001606171572 1351281479 /nfs/dbraw/zinc/28/14/79/1351281479.db2.gz DTNXRBCRZQZBFH-UHFFFAOYSA-N -1 1 329.364 2.051 20 0 EEADMM O=C(CCc1ccc(Cl)cc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606529872 1351317290 /nfs/dbraw/zinc/31/72/90/1351317290.db2.gz FWGWHSQEWUOXJS-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(CCc1ccc(Cl)cc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606529872 1351317292 /nfs/dbraw/zinc/31/72/92/1351317292.db2.gz FWGWHSQEWUOXJS-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1csc(-c2nn[n-]n2)c1 ZINC001606646413 1351336786 /nfs/dbraw/zinc/33/67/86/1351336786.db2.gz CHRQLSXWZHFCNL-NWANDNLSSA-N -1 1 337.408 2.386 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606682491 1351341491 /nfs/dbraw/zinc/34/14/91/1351341491.db2.gz FNBVHOVLKYKNIH-NSHDSACASA-N -1 1 327.369 2.427 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606682491 1351341495 /nfs/dbraw/zinc/34/14/95/1351341495.db2.gz FNBVHOVLKYKNIH-NSHDSACASA-N -1 1 327.369 2.427 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1ccn(-c2ccc(F)cc2F)n1 ZINC001606785203 1351356671 /nfs/dbraw/zinc/35/66/71/1351356671.db2.gz IABHFSFLPZXLRI-INIZCTEOSA-N -1 1 339.342 2.120 20 0 EEADMM O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606816550 1351360154 /nfs/dbraw/zinc/36/01/54/1351360154.db2.gz GYOZHBDGMQVWAW-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606816550 1351360157 /nfs/dbraw/zinc/36/01/57/1351360157.db2.gz GYOZHBDGMQVWAW-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001606831464 1351363345 /nfs/dbraw/zinc/36/33/45/1351363345.db2.gz KKFCRKCUGVLVPW-OLZOCXBDSA-N -1 1 343.387 2.487 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccc2c1CCCC2 ZINC001606847289 1351366644 /nfs/dbraw/zinc/36/66/44/1351366644.db2.gz UBWFWCZBDRQYJS-UHFFFAOYSA-N -1 1 340.412 2.132 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccc2c1CCCC2 ZINC001606847289 1351366650 /nfs/dbraw/zinc/36/66/50/1351366650.db2.gz UBWFWCZBDRQYJS-UHFFFAOYSA-N -1 1 340.412 2.132 20 0 EEADMM COCCN(Cc1scnc1C)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001606890671 1351369945 /nfs/dbraw/zinc/36/99/45/1351369945.db2.gz QYHBRLOBPLLYBT-GFCCVEGCSA-N -1 1 326.418 2.047 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1-c1cn[nH]c1 ZINC001606897977 1351371687 /nfs/dbraw/zinc/37/16/87/1351371687.db2.gz XGNHOLDFBRMXLY-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM COCCOc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)o1 ZINC001606913162 1351374733 /nfs/dbraw/zinc/37/47/33/1351374733.db2.gz CMXFUBHZHHSZQM-XEZPLFJOSA-N -1 1 341.404 2.053 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H](CC(F)(F)F)C1 ZINC001606932882 1351379203 /nfs/dbraw/zinc/37/92/03/1351379203.db2.gz BZXAWARMBCAEHY-MRVPVSSYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H](CC(F)(F)F)C1 ZINC001606932882 1351379206 /nfs/dbraw/zinc/37/92/06/1351379206.db2.gz BZXAWARMBCAEHY-MRVPVSSYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCc2ccccc2C1 ZINC001606944122 1351380983 /nfs/dbraw/zinc/38/09/83/1351380983.db2.gz LJXWFCPQWDRVQE-AWEZNQCLSA-N -1 1 349.398 2.331 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCc2ccccc2C1 ZINC001606944122 1351380985 /nfs/dbraw/zinc/38/09/85/1351380985.db2.gz LJXWFCPQWDRVQE-AWEZNQCLSA-N -1 1 349.398 2.331 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001607030896 1351400815 /nfs/dbraw/zinc/40/08/15/1351400815.db2.gz PIDZAVRIKRSCEC-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001607030896 1351400817 /nfs/dbraw/zinc/40/08/17/1351400817.db2.gz PIDZAVRIKRSCEC-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=Cc1cc(Oc2cncc(-c3nnn[n-]3)n2)cc(C(F)(F)F)c1 ZINC001607056888 1351405528 /nfs/dbraw/zinc/40/55/28/1351405528.db2.gz WBEOOGABNDYPDT-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=Cc1cc(Oc2cncc(-c3nn[n-]n3)n2)cc(C(F)(F)F)c1 ZINC001607056888 1351405529 /nfs/dbraw/zinc/40/55/29/1351405529.db2.gz WBEOOGABNDYPDT-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM OC[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001607103980 1351419878 /nfs/dbraw/zinc/41/98/78/1351419878.db2.gz FHKGDQWQGZPJOR-WCBMZHEXSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001607103980 1351419880 /nfs/dbraw/zinc/41/98/80/1351419880.db2.gz FHKGDQWQGZPJOR-WCBMZHEXSA-N -1 1 342.325 2.244 20 0 EEADMM c1cc2c(c(CNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)c1)OCC2 ZINC001607123835 1351428134 /nfs/dbraw/zinc/42/81/34/1351428134.db2.gz QAWVJMRSLFCCIY-UHFFFAOYSA-N -1 1 335.371 2.081 20 0 EEADMM c1cc2c(c(CNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)c1)OCC2 ZINC001607123835 1351428136 /nfs/dbraw/zinc/42/81/36/1351428136.db2.gz QAWVJMRSLFCCIY-UHFFFAOYSA-N -1 1 335.371 2.081 20 0 EEADMM c1ccc2c(CCNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)noc2c1 ZINC001607130885 1351432081 /nfs/dbraw/zinc/43/20/81/1351432081.db2.gz JPCFBZUQVDHKGF-UHFFFAOYSA-N -1 1 348.370 2.330 20 0 EEADMM c1ccc2c(CCNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)noc2c1 ZINC001607130885 1351432083 /nfs/dbraw/zinc/43/20/83/1351432083.db2.gz JPCFBZUQVDHKGF-UHFFFAOYSA-N -1 1 348.370 2.330 20 0 EEADMM COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)C(=O)[O-])n1 ZINC001607264312 1351461466 /nfs/dbraw/zinc/46/14/66/1351461466.db2.gz ZWCOMGDZTNGSMY-ZCFIWIBFSA-N -1 1 341.776 2.268 20 0 EEADMM COc1cccc(-c2cc(C(=O)N(C)C(C)(C)CC(=O)[O-])n[nH]2)c1 ZINC001607301343 1351468498 /nfs/dbraw/zinc/46/84/98/1351468498.db2.gz MDZSONXCDJSJJJ-UHFFFAOYSA-N -1 1 331.372 2.411 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)CN[C@H](C(=O)[O-])C1CCCCC1 ZINC001607337822 1351477443 /nfs/dbraw/zinc/47/74/43/1351477443.db2.gz FUJDGORGFGRZGD-UGSOOPFHSA-N -1 1 348.443 2.496 20 0 EEADMM Cc1[nH]c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)c1C(=O)[O-] ZINC001607491169 1351503773 /nfs/dbraw/zinc/50/37/73/1351503773.db2.gz QSKQAACJQAVAEN-ZDUSSCGKSA-N -1 1 345.399 2.490 20 0 EEADMM Cc1cn[nH]c1CSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001607556387 1351514991 /nfs/dbraw/zinc/51/49/91/1351514991.db2.gz FUEXQRGIBMQLHJ-UHFFFAOYSA-N -1 1 344.396 2.195 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1CC1CC1 ZINC001607571798 1351517978 /nfs/dbraw/zinc/51/79/78/1351517978.db2.gz OZAHJHYEAKDVTR-CQSZACIVSA-N -1 1 347.459 2.136 20 0 EEADMM Cc1cc([C@H](C)N2CCc3c(CC(N)=O)cccc3C2)oc1C(=O)[O-] ZINC001607609033 1351524421 /nfs/dbraw/zinc/52/44/21/1351524421.db2.gz WHVLSHONVRJTKZ-LBPRGKRZSA-N -1 1 342.395 2.433 20 0 EEADMM Cc1cc(CNCc2ccc(CN3CCNC3=O)cc2)oc1C(=O)[O-] ZINC001607648076 1351532285 /nfs/dbraw/zinc/53/22/85/1351532285.db2.gz CSGNPMSSUKPRCS-UHFFFAOYSA-N -1 1 343.383 2.101 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC001607850669 1351571226 /nfs/dbraw/zinc/57/12/26/1351571226.db2.gz LKCKWLIDIIMIFR-VQIMIIECSA-N -1 1 348.418 2.375 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)C[C@@H]1CCCOC1 ZINC001607925930 1351586937 /nfs/dbraw/zinc/58/69/37/1351586937.db2.gz SRUHEMBENZDMDA-NEPJUHHUSA-N -1 1 340.445 2.440 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N[C@@H]1CCCn2nccc21 ZINC001607925681 1351587208 /nfs/dbraw/zinc/58/72/08/1351587208.db2.gz OLWXFWCTSKJSAS-GHMZBOCLSA-N -1 1 348.428 2.403 20 0 EEADMM Cn1c(CN2CCN(CCc3cccs3)CC2)ccc1C(=O)[O-] ZINC001608088157 1351622940 /nfs/dbraw/zinc/62/29/40/1351622940.db2.gz VZTLQCADUBAISD-UHFFFAOYSA-N -1 1 333.457 2.145 20 0 EEADMM Cc1[nH]nc(NC(=O)CCCc2nn[n-]n2)c1-c1cccc(C)c1 ZINC001608314706 1351669326 /nfs/dbraw/zinc/66/93/26/1351669326.db2.gz AVDVFPYEJSTAMM-UHFFFAOYSA-N -1 1 325.376 2.168 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccc(Cl)cn3)[nH]c21 ZINC001608363185 1351678952 /nfs/dbraw/zinc/67/89/52/1351678952.db2.gz STQSJJWLMCABRW-UHFFFAOYSA-N -1 1 330.731 2.491 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccsc1 ZINC001608392072 1351685333 /nfs/dbraw/zinc/68/53/33/1351685333.db2.gz XRYRCCSQTJDJOT-CQSZACIVSA-N -1 1 334.397 2.493 20 0 EEADMM O=C([O-])c1sccc1C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001608423388 1351692015 /nfs/dbraw/zinc/69/20/15/1351692015.db2.gz YDTWYJYKSCMNNQ-GFCCVEGCSA-N -1 1 342.380 2.126 20 0 EEADMM O=C(Nc1ncc(-c2cnccn2)s1)c1cnc(C2CC2)[n-]c1=O ZINC001626890287 1352476680 /nfs/dbraw/zinc/47/66/80/1352476680.db2.gz VKKHVRLWFMRWPI-UHFFFAOYSA-N -1 1 340.368 2.225 20 0 EEADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1cccc1 ZINC001632496902 1352597862 /nfs/dbraw/zinc/59/78/62/1352597862.db2.gz FIXSMPNLNRBORA-NOZJJQNGSA-N -1 1 348.769 2.261 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc2c(c1)CCCC2=O ZINC001642558000 1352733671 /nfs/dbraw/zinc/73/36/71/1352733671.db2.gz LRLYMMCLOCQATO-KRWDZBQOSA-N -1 1 347.378 2.238 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1OC)C1CCOCC1 ZINC001647095264 1353138100 /nfs/dbraw/zinc/13/81/00/1353138100.db2.gz SQYQAZQDSMPEFI-CYBMUJFWSA-N -1 1 349.399 2.457 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1C[C@H](OC)C1(C)C ZINC001647103203 1353142843 /nfs/dbraw/zinc/14/28/43/1353142843.db2.gz MYYRIINLDZZGBU-RYUDHWBXSA-N -1 1 335.372 2.065 20 0 EEADMM CCn1nccc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001648730059 1353441409 /nfs/dbraw/zinc/44/14/09/1353441409.db2.gz LXFGKFYSLCBOBS-UHFFFAOYSA-N -1 1 332.751 2.299 20 0 EEADMM CCn1nccc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001648730059 1353441410 /nfs/dbraw/zinc/44/14/10/1353441410.db2.gz LXFGKFYSLCBOBS-UHFFFAOYSA-N -1 1 332.751 2.299 20 0 EEADMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001649808820 1353606926 /nfs/dbraw/zinc/60/69/26/1353606926.db2.gz BXDGFKUVXKJEGD-SFYZADRCSA-N -1 1 340.214 2.290 20 0 EEADMM COC(=O)[C@H]1C[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC001650202599 1353772743 /nfs/dbraw/zinc/77/27/43/1353772743.db2.gz QFURSJYFCMJZLN-OCAPTIKFSA-N -1 1 328.162 2.292 20 0 EEADMM O=c1[nH][n-]cc1-c1nnc(N2CCCCCC2)n1C[C@H]1CCCCO1 ZINC001650496968 1353954534 /nfs/dbraw/zinc/95/45/34/1353954534.db2.gz QUDZGSMWTWMXEE-CYBMUJFWSA-N -1 1 346.435 2.323 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1 ZINC000074934546 1354370587 /nfs/dbraw/zinc/37/05/87/1354370587.db2.gz OVOBEJPETNGQDP-UHFFFAOYSA-N -1 1 348.424 2.333 20 0 EEADMM Cc1c(CN(C)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cnn1C ZINC001679610297 1357729166 /nfs/dbraw/zinc/72/91/66/1357729166.db2.gz ITUBVVFWXGCPNX-UHFFFAOYSA-N -1 1 340.387 2.284 20 0 EEADMM COc1cc(C(=O)NCCCC[P@](=O)([O-])O)ccc1OC(C)C ZINC001187581956 1368255056 /nfs/dbraw/zinc/25/50/56/1368255056.db2.gz JRYLVBGLSIOXHX-UHFFFAOYSA-N -1 1 345.332 2.170 20 0 EEADMM O=C(Nc1ncccc1N1CCOCC1)c1cc([O-])cc(F)c1F ZINC001192660814 1368421500 /nfs/dbraw/zinc/42/15/00/1368421500.db2.gz DIYDZYVVERXWIL-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC001193024859 1368441921 /nfs/dbraw/zinc/44/19/21/1368441921.db2.gz XYSMUYHLHGLVHK-UHFFFAOYSA-N -1 1 341.216 2.472 20 0 EEADMM CC(=O)Oc1ccc([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198153831 1368625381 /nfs/dbraw/zinc/62/53/81/1368625381.db2.gz UQDYRLZJMMSDET-UHFFFAOYSA-N -1 1 343.364 2.356 20 0 EEADMM O=[P@]([O-])(O)C1(NC(=S)Nc2cccnc2)Cc2ccccc2C1 ZINC001199908063 1368700117 /nfs/dbraw/zinc/70/01/17/1368700117.db2.gz VYFAYTULVVYIQL-UHFFFAOYSA-N -1 1 349.352 2.041 20 0 EEADMM O=S(=O)([N-]C(CF)CF)c1ccc(F)cc1Br ZINC000885421038 1368942344 /nfs/dbraw/zinc/94/23/44/1368942344.db2.gz RLGYFOVYPJFXGD-UHFFFAOYSA-N -1 1 332.141 2.174 20 0 EEADMM CCC1(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CCCC1 ZINC001071952570 1370585598 /nfs/dbraw/zinc/58/55/98/1370585598.db2.gz OAYHIZLRGXDQBG-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@](C)(CO)c1ccccc1 ZINC000124132985 1404927239 /nfs/dbraw/zinc/92/72/39/1404927239.db2.gz MPSQPCFHANBMQJ-ZDUSSCGKSA-N -1 1 346.861 2.291 20 0 EEADMM COC(=O)c1ccc(C(=O)Oc2cc(Cl)ccc2C(=O)OC)[n-]1 ZINC000796732827 1371461089 /nfs/dbraw/zinc/46/10/89/1371461089.db2.gz OZRFGEFSRANDON-UHFFFAOYSA-N -1 1 337.715 2.461 20 0 EEADMM Cc1ccc(CC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830840697 1372352324 /nfs/dbraw/zinc/35/23/24/1372352324.db2.gz LDFFTCDHTZVOTP-OAHLLOKOSA-N -1 1 328.334 2.207 20 0 EEADMM CN(Cc1cc(Br)ccc1OCC(=O)[O-])[C@H]1CCOC1 ZINC001139239986 1372496804 /nfs/dbraw/zinc/49/68/04/1372496804.db2.gz KHYZDMGLZSMIIQ-LBPRGKRZSA-N -1 1 344.205 2.133 20 0 EEADMM CCOCCOCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000834298151 1372543694 /nfs/dbraw/zinc/54/36/94/1372543694.db2.gz LFVSJHGVVRGACN-UHFFFAOYSA-N -1 1 347.209 2.322 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)o1 ZINC001140946272 1372722059 /nfs/dbraw/zinc/72/20/59/1372722059.db2.gz YPCIEJPQBSJORV-SFHVURJKSA-N -1 1 341.367 2.002 20 0 EEADMM CC[C@@H]1CN(CC)CCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839785826 1372917299 /nfs/dbraw/zinc/91/72/99/1372917299.db2.gz KUKVQNBWSHXUSU-GFCCVEGCSA-N -1 1 346.456 2.180 20 0 EEADMM CCC[C@H]1CC(=O)N(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848503252 1373155688 /nfs/dbraw/zinc/15/56/88/1373155688.db2.gz YTUSBKLDEHKQJU-FRRDWIJNSA-N -1 1 349.397 2.124 20 0 EEADMM NC(=O)Cc1occc1C(=O)Nc1cccc([O-])c1Br ZINC001363300621 1373501476 /nfs/dbraw/zinc/50/14/76/1373501476.db2.gz VHYKTEKNSNKTLA-UHFFFAOYSA-N -1 1 339.145 2.028 20 0 EEADMM C[C@@H]1[C@H](NC(=O)CC2(C)CC2)CCCN1C(=O)c1ncccc1[O-] ZINC001370921969 1375130401 /nfs/dbraw/zinc/13/04/01/1375130401.db2.gz TXFRPQBYJMSHHH-CHWSQXEVSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001371272299 1375343295 /nfs/dbraw/zinc/34/32/95/1375343295.db2.gz ZYSCLEGAGQGYNN-WDEREUQCSA-N -1 1 331.372 2.016 20 0 EEADMM C[C@@H](c1ncc(C(C)(C)C)o1)N(C)CCNC(=O)c1ncccc1[O-] ZINC001371952343 1375679611 /nfs/dbraw/zinc/67/96/11/1375679611.db2.gz NVFXDRIFLVPWRF-LBPRGKRZSA-N -1 1 346.431 2.496 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001372383280 1375973755 /nfs/dbraw/zinc/97/37/55/1375973755.db2.gz SHXQFSVNGQHKMO-ZDUSSCGKSA-N -1 1 333.432 2.094 20 0 EEADMM CCCN(CCNC(=O)c1oc(C)cc1C)C(=O)c1ncccc1[O-] ZINC001374110455 1376580029 /nfs/dbraw/zinc/58/00/29/1376580029.db2.gz WMMSPFXITUUYLN-UHFFFAOYSA-N -1 1 345.399 2.279 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@@H](C)C1CC1 ZINC001374118712 1376587604 /nfs/dbraw/zinc/58/76/04/1376587604.db2.gz RWZNHCZVYOHQOE-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)CN[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC001374745452 1377034750 /nfs/dbraw/zinc/03/47/50/1377034750.db2.gz RMJKDZCINSYUSK-RKDXNWHRSA-N -1 1 338.358 2.171 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001375694366 1377930767 /nfs/dbraw/zinc/93/07/67/1377930767.db2.gz IKRLNEJWOXLSLI-KGLIPLIRSA-N -1 1 335.448 2.342 20 0 EEADMM CCCCC(=O)NC1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC001382817372 1382212443 /nfs/dbraw/zinc/21/24/43/1382212443.db2.gz FGNZJDUDQGOWAZ-UHFFFAOYSA-N -1 1 333.432 2.477 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1CCCCCC1 ZINC001383705215 1382649498 /nfs/dbraw/zinc/64/94/98/1382649498.db2.gz SZZOOZNLBVUBQR-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001384605325 1385060601 /nfs/dbraw/zinc/06/06/01/1385060601.db2.gz KVLVLIMHPXUKGR-GXTWGEPZSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)CC1(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001385570106 1385692459 /nfs/dbraw/zinc/69/24/59/1385692459.db2.gz XWSZSOIXXOMSPN-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC[C@@H](CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001386095730 1385979857 /nfs/dbraw/zinc/97/98/57/1385979857.db2.gz UOILBXNDOMCVJN-NYTXWWLZSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H](NC(=O)CCC1CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386461877 1386151236 /nfs/dbraw/zinc/15/12/36/1386151236.db2.gz ODHVEQZAZNCGAU-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](CNC(=O)c1cccc(C)c1F)NC(=O)c1ncccc1[O-] ZINC001388094944 1387183030 /nfs/dbraw/zinc/18/30/30/1387183030.db2.gz NDXQJJCBVIOQPK-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001391241739 1389161542 /nfs/dbraw/zinc/16/15/42/1389161542.db2.gz IYQGKHUZXZXGKA-ZIAGYGMSSA-N -1 1 347.459 2.486 20 0 EEADMM CCC1(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])CCCC1 ZINC001395657251 1390851770 /nfs/dbraw/zinc/85/17/70/1390851770.db2.gz XZYFZTFHFJOJKM-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396547570 1390955139 /nfs/dbraw/zinc/95/51/39/1390955139.db2.gz HWNQVEISHUEZJL-QLFBSQMISA-N -1 1 347.459 2.484 20 0 EEADMM CC1(CCC(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001396553379 1390955683 /nfs/dbraw/zinc/95/56/83/1390955683.db2.gz JNEJIWZMEDOPNG-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCC2)[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001396561857 1390956306 /nfs/dbraw/zinc/95/63/06/1390956306.db2.gz CADYCRKERBTGJN-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)c1cccc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001397586269 1391344107 /nfs/dbraw/zinc/34/41/07/1391344107.db2.gz QZHZBYZFZUFYAH-ZDUSSCGKSA-N -1 1 341.411 2.459 20 0 EEADMM O=C(NCCN(C(=O)[C@@H]1CC12CCCC2)C1CC1)c1ncccc1[O-] ZINC001398311193 1392163243 /nfs/dbraw/zinc/16/32/43/1392163243.db2.gz LASHSPACWYYYJD-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM CCCN(C(=O)C1CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398401455 1392443036 /nfs/dbraw/zinc/44/30/36/1392443036.db2.gz RWQMUGSPZHTPST-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCNCc2csc(C3CC3)n2)c1[O-] ZINC001753957808 1406780695 /nfs/dbraw/zinc/78/06/95/1406780695.db2.gz VZPKZUXHTDOHJN-VIFPVBQESA-N -1 1 349.460 2.056 20 0 EEADMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1ccccc1)c1ccccc1F ZINC001423552172 1400638098 /nfs/dbraw/zinc/63/80/98/1400638098.db2.gz YHLNUBUKMLYKLL-NRFANRHFSA-N -1 1 342.417 2.317 20 0 EEADMM CCCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001423719031 1400766780 /nfs/dbraw/zinc/76/67/80/1400766780.db2.gz BLCTWAAHDKCVEM-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM O=S(=O)([N-][C@@H](CO)Cc1ccc(F)cc1)c1sccc1Cl ZINC001424001698 1400862800 /nfs/dbraw/zinc/86/28/00/1400862800.db2.gz ZKDBBWROXDMPKL-LLVKDONJSA-N -1 1 349.836 2.423 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001424018075 1400870489 /nfs/dbraw/zinc/87/04/89/1400870489.db2.gz QHARJJRYJJHMQY-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)C1(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001426293118 1402026705 /nfs/dbraw/zinc/02/67/05/1402026705.db2.gz WQQVLEQQIZGNFD-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(CCC1CC1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001426564406 1402099737 /nfs/dbraw/zinc/09/97/37/1402099737.db2.gz PFYMVECLKGKGOJ-LSDHHAIUSA-N -1 1 343.427 2.135 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCC1CC1 ZINC001431218829 1403002698 /nfs/dbraw/zinc/00/26/98/1403002698.db2.gz DRFMKEFMJFHVMG-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)c1ccoc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001432265169 1403227574 /nfs/dbraw/zinc/22/75/74/1403227574.db2.gz CIJPQPUYENWDQY-UHFFFAOYSA-N -1 1 343.383 2.196 20 0 EEADMM CCc1nc([C@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)no1 ZINC001433711225 1403425591 /nfs/dbraw/zinc/42/55/91/1403425591.db2.gz OZDURVRORYISAZ-GFCCVEGCSA-N -1 1 343.387 2.372 20 0 EEADMM CCCC(=O)N[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577210201 1403626665 /nfs/dbraw/zinc/62/66/65/1403626665.db2.gz DHMDJQLLRBMCED-MNOVXSKESA-N -1 1 349.464 2.271 20 0 EEADMM COC(=O)c1ccc(Oc2cc(-c3nnn[n-]3)nc(C)n2)cc1Cl ZINC001579485230 1403784596 /nfs/dbraw/zinc/78/45/96/1403784596.db2.gz RACFKWUDHFVQDV-UHFFFAOYSA-N -1 1 346.734 2.197 20 0 EEADMM COC(=O)c1ccc(Oc2cc(-c3nn[n-]n3)nc(C)n2)cc1Cl ZINC001579485230 1403784603 /nfs/dbraw/zinc/78/46/03/1403784603.db2.gz RACFKWUDHFVQDV-UHFFFAOYSA-N -1 1 346.734 2.197 20 0 EEADMM COC(=O)c1ccc(NCCc2cccc(C)c2)c(-c2nnn[n-]2)n1 ZINC001579483880 1403784992 /nfs/dbraw/zinc/78/49/92/1403784992.db2.gz PPBUDCGSYGNCKH-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COC(=O)c1ccc(NCCc2cccc(C)c2)c(-c2nn[n-]n2)n1 ZINC001579483880 1403784999 /nfs/dbraw/zinc/78/49/99/1403784999.db2.gz PPBUDCGSYGNCKH-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COc1cccc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001580064893 1403819335 /nfs/dbraw/zinc/81/93/35/1403819335.db2.gz ZEDAVCNDXMTBDN-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1ncc(NC(=O)c2cc(C)c(F)cc2F)cc1-c1nn[n-]n1 ZINC001580138867 1403833648 /nfs/dbraw/zinc/83/36/48/1403833648.db2.gz QJIQINBHMVOPDK-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM COc1cccc(COC(=O)c2sccc2-c2nn[n-]n2)c1OC ZINC001591640281 1403931150 /nfs/dbraw/zinc/93/11/50/1403931150.db2.gz SQGLLIYOHKDXSS-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM Cc1c(Nc2cnc(-c3nnn[n-]3)cn2)cnn1-c1ccccc1F ZINC001591828836 1403953836 /nfs/dbraw/zinc/95/38/36/1403953836.db2.gz VCKQZQDEHPWFDZ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2cnc(-c3nn[n-]n3)cn2)cnn1-c1ccccc1F ZINC001591828836 1403953843 /nfs/dbraw/zinc/95/38/43/1403953843.db2.gz VCKQZQDEHPWFDZ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC001591889124 1403969476 /nfs/dbraw/zinc/96/94/76/1403969476.db2.gz PQTSUFMFFLHNTG-KBPBESRZSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC001591889124 1403969481 /nfs/dbraw/zinc/96/94/81/1403969481.db2.gz PQTSUFMFFLHNTG-KBPBESRZSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(N2CCO[C@H](Cc3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592009035 1403983614 /nfs/dbraw/zinc/98/36/14/1403983614.db2.gz REIZHJZCRLQJNO-MRXNPFEDSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1cc(N2CCO[C@H](Cc3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592009035 1403983622 /nfs/dbraw/zinc/98/36/22/1403983622.db2.gz REIZHJZCRLQJNO-MRXNPFEDSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1nccc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)c2)n1 ZINC001592414540 1404030663 /nfs/dbraw/zinc/03/06/63/1404030663.db2.gz COQLKALFPHHIEJ-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001592499299 1404703945 /nfs/dbraw/zinc/70/39/45/1404703945.db2.gz KKPJJVRIERXWOU-CHWSQXEVSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001592499299 1404703952 /nfs/dbraw/zinc/70/39/52/1404703952.db2.gz KKPJJVRIERXWOU-CHWSQXEVSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700231 1404750330 /nfs/dbraw/zinc/75/03/30/1404750330.db2.gz NYAJWWHAXNWKKK-MRXNPFEDSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700231 1404750334 /nfs/dbraw/zinc/75/03/34/1404750334.db2.gz NYAJWWHAXNWKKK-MRXNPFEDSA-N -1 1 340.362 2.287 20 0 EEADMM CCc1[nH]c(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1C(=O)[O-] ZINC001605771714 1404753327 /nfs/dbraw/zinc/75/33/27/1404753327.db2.gz ISVXOQUVLCXERT-CYBMUJFWSA-N -1 1 335.448 2.260 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC001606019484 1404756078 /nfs/dbraw/zinc/75/60/78/1404756078.db2.gz FLDQZVOUKAMHNB-UHFFFAOYSA-N -1 1 343.341 2.412 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(Cc2ccc(F)cc2F)C2CC2)n1 ZINC001606019484 1404756083 /nfs/dbraw/zinc/75/60/83/1404756083.db2.gz FLDQZVOUKAMHNB-UHFFFAOYSA-N -1 1 343.341 2.412 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC001606019561 1404756410 /nfs/dbraw/zinc/75/64/10/1404756410.db2.gz IOHRXXFVUHYQKY-GXFFZTMASA-N -1 1 339.378 2.487 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC001606019561 1404756412 /nfs/dbraw/zinc/75/64/12/1404756412.db2.gz IOHRXXFVUHYQKY-GXFFZTMASA-N -1 1 339.378 2.487 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001606064711 1404761309 /nfs/dbraw/zinc/76/13/09/1404761309.db2.gz DMBBSGOILZYIRI-HOCLYGCPSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001606064711 1404761311 /nfs/dbraw/zinc/76/13/11/1404761311.db2.gz DMBBSGOILZYIRI-HOCLYGCPSA-N -1 1 337.387 2.297 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1nccnc1-c1nnn[n-]1)CCC2 ZINC001606310985 1404786925 /nfs/dbraw/zinc/78/69/25/1404786925.db2.gz DPHADHJZNHGDGC-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1nccnc1-c1nn[n-]n1)CCC2 ZINC001606310985 1404786931 /nfs/dbraw/zinc/78/69/31/1404786931.db2.gz DPHADHJZNHGDGC-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1ccc(F)c2c1CC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001606319442 1404791551 /nfs/dbraw/zinc/79/15/51/1404791551.db2.gz DCEKDYFOEZYVER-SNVBAGLBSA-N -1 1 334.355 2.379 20 0 EEADMM Fc1ccc(F)c2c1CC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001606319442 1404791557 /nfs/dbraw/zinc/79/15/57/1404791557.db2.gz DCEKDYFOEZYVER-SNVBAGLBSA-N -1 1 334.355 2.379 20 0 EEADMM COC(=O)[C@H]1CCN(Cc2ccc(OC)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC001606414386 1404808953 /nfs/dbraw/zinc/80/89/53/1404808953.db2.gz QKZYPQSCOAKZNS-IINYFYTJSA-N -1 1 341.791 2.187 20 0 EEADMM C/C(=C\C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)C1CC1 ZINC001756173374 1408197623 /nfs/dbraw/zinc/19/76/23/1408197623.db2.gz KBBGUMCMNQFNMH-RZXPCSSPSA-N -1 1 343.427 2.110 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](C)O)cc1 ZINC000319702964 1409853004 /nfs/dbraw/zinc/85/30/04/1409853004.db2.gz MWCYAPZBRMQZTC-LLVKDONJSA-N -1 1 334.397 2.499 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)o1 ZINC001771921231 1409981352 /nfs/dbraw/zinc/98/13/52/1409981352.db2.gz OLBFWIFGNNRNAY-OAHLLOKOSA-N -1 1 331.372 2.072 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000852727691 1410386738 /nfs/dbraw/zinc/38/67/38/1410386738.db2.gz OUVXSMLODVHTJQ-LLVKDONJSA-N -1 1 325.796 2.250 20 0 EEADMM O=C([N-]c1n[nH]c(-c2cccc(Cl)c2)n1)c1noc2c1COCC2 ZINC001125494766 759628902 /nfs/dbraw/zinc/62/89/02/759628902.db2.gz SFELSRUMJKZDIZ-UHFFFAOYSA-N -1 1 345.746 2.438 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@@H](C(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000780513603 761256757 /nfs/dbraw/zinc/25/67/57/761256757.db2.gz TYJNMODHUYMJJE-DZGCQCFKSA-N -1 1 337.420 2.133 20 0 EEADMM CC(C)C[C@@H](CNc1cncc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001104935747 765607023 /nfs/dbraw/zinc/60/70/23/765607023.db2.gz WEZFURNPEJFUCO-NSHDSACASA-N -1 1 349.822 2.487 20 0 EEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3cccc4c3COC4=O)ccc2o1 ZINC000918728718 769349902 /nfs/dbraw/zinc/34/99/02/769349902.db2.gz YLZKDRCXGSABIF-UHFFFAOYSA-N -1 1 346.320 2.005 20 0 EEADMM C[C@@H](c1ccc(F)c(F)c1)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628680 770447703 /nfs/dbraw/zinc/44/77/03/770447703.db2.gz TXRUSIMMMVDCDG-NSHDSACASA-N -1 1 347.365 2.488 20 0 EEADMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186371456 770719015 /nfs/dbraw/zinc/71/90/15/770719015.db2.gz UTVCRQWKRSRESB-UHFFFAOYSA-N -1 1 336.344 2.180 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2cc(F)ccc2C)c1[O-] ZINC001027833503 773211400 /nfs/dbraw/zinc/21/14/00/773211400.db2.gz RDDQVVQVCHNWPT-HNNXBMFYSA-N -1 1 346.406 2.266 20 0 EEADMM CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000921382963 773318014 /nfs/dbraw/zinc/31/80/14/773318014.db2.gz MOBLRUJRCSQQRW-ZWNOBZJWSA-N -1 1 348.490 2.239 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC000942755684 783140418 /nfs/dbraw/zinc/14/04/18/783140418.db2.gz ITWNXDAGGKDJRH-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cccs2)C1 ZINC000942757760 783144449 /nfs/dbraw/zinc/14/44/49/783144449.db2.gz IUDSMBBCFRUREB-LBPRGKRZSA-N -1 1 345.424 2.226 20 0 EEADMM CC(=O)O[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC001144908051 790382490 /nfs/dbraw/zinc/38/24/90/790382490.db2.gz QZOVDPQAHPIKNP-VIFPVBQESA-N -1 1 328.250 2.066 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000981207220 776788668 /nfs/dbraw/zinc/78/86/68/776788668.db2.gz HSZMRGLRBHDLGK-RRFJBIMHSA-N -1 1 343.427 2.158 20 0 EEADMM O=C(CC1=CCCCC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940126280 778159639 /nfs/dbraw/zinc/15/96/39/778159639.db2.gz YQUVMWCXIOJDIF-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM CCC(=O)N1CC2(C[C@@H]1C)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982204471 779268133 /nfs/dbraw/zinc/26/81/33/779268133.db2.gz NLDUANCVJOOWNT-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccc(OC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1C ZINC000067019239 779450960 /nfs/dbraw/zinc/45/09/60/779450960.db2.gz BLLBVEMVVXRQBP-UHFFFAOYSA-N -1 1 325.368 2.404 20 0 EEADMM Cc1ccsc1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982367900 779886940 /nfs/dbraw/zinc/88/69/40/779886940.db2.gz ATFFUHQUWGMUIT-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078424 780549736 /nfs/dbraw/zinc/54/97/36/780549736.db2.gz ZCOYYXZIOYIPTK-SECBINFHSA-N -1 1 348.476 2.088 20 0 EEADMM Cc1ccccc1OCC(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079948 780551653 /nfs/dbraw/zinc/55/16/53/780551653.db2.gz PPNTWKCNLUDODL-UHFFFAOYSA-N -1 1 332.429 2.322 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088335073 783548131 /nfs/dbraw/zinc/54/81/31/783548131.db2.gz VJHVJZMBLPQWKN-HUUCEWRRSA-N -1 1 347.463 2.118 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942958056 783556353 /nfs/dbraw/zinc/55/63/53/783556353.db2.gz DYFKJKFAISVPGL-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)c1ccsc1C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001035131132 783860254 /nfs/dbraw/zinc/86/02/54/783860254.db2.gz KBZWUSFDROMNQM-LLVKDONJSA-N -1 1 349.460 2.090 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1c(F)ccnc1F ZINC000816953007 784374329 /nfs/dbraw/zinc/37/43/29/784374329.db2.gz XFNGMJKWYPWTJV-UHFFFAOYSA-N -1 1 330.088 2.475 20 0 EEADMM COCc1nsc([N-]C(=O)c2sc(Br)nc2C)n1 ZINC000816969193 784398736 /nfs/dbraw/zinc/39/87/36/784398736.db2.gz FDRIJQRROSLXSN-UHFFFAOYSA-N -1 1 349.235 2.464 20 0 EEADMM C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC000945678388 784610895 /nfs/dbraw/zinc/61/08/95/784610895.db2.gz QNMCSOFSWHULAC-ZIAGYGMSSA-N -1 1 347.463 2.132 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1CCc1cn[nH]c1)C(F)(F)F ZINC000817292708 784635461 /nfs/dbraw/zinc/63/54/61/784635461.db2.gz IYTCPMDLIIHBSU-ZDUSSCGKSA-N -1 1 338.333 2.062 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000907446124 784649582 /nfs/dbraw/zinc/64/95/82/784649582.db2.gz WZGZGZNSIGBNMD-IBGZPJMESA-N -1 1 337.379 2.331 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478844 784686126 /nfs/dbraw/zinc/68/61/26/784686126.db2.gz WSOFZIWQRLRPSM-KWEXDPCDSA-N -1 1 340.412 2.011 20 0 EEADMM Cc1cccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1Cl ZINC000907480368 784686893 /nfs/dbraw/zinc/68/68/93/784686893.db2.gz SWPRDNJIEQAGSM-LLVKDONJSA-N -1 1 337.836 2.021 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945718668 784712924 /nfs/dbraw/zinc/71/29/24/784712924.db2.gz OLSGZQSZRQMXFN-KBPBESRZSA-N -1 1 331.416 2.110 20 0 EEADMM CO[C@@H](C)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493323 784795133 /nfs/dbraw/zinc/79/51/33/784795133.db2.gz UIHYHQDOZURDKM-CMPLNLGQSA-N -1 1 344.333 2.048 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNC(=O)C1=CCCC1 ZINC000945758120 784832801 /nfs/dbraw/zinc/83/28/01/784832801.db2.gz NBTWAWSHUGGHLM-ZFWWWQNUSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([O-])[C@@]1(C(=O)N2CCN(C3CCCC3)CC2)C[C@H]1c1ccccc1 ZINC000907801562 784855986 /nfs/dbraw/zinc/85/59/86/784855986.db2.gz UWYVPPMFQCFBEU-PXNSSMCTSA-N -1 1 342.439 2.332 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc(Cl)c1 ZINC000817916056 785067054 /nfs/dbraw/zinc/06/70/54/785067054.db2.gz UHXFYBOCVWWRHF-UHFFFAOYSA-N -1 1 330.749 2.008 20 0 EEADMM O=S(=O)([N-][C@@H](c1ccncc1)C1CC1)c1ccc(F)nc1F ZINC000908391060 785379562 /nfs/dbraw/zinc/37/95/62/785379562.db2.gz WQXZIOBMBVVTDW-CYBMUJFWSA-N -1 1 325.340 2.184 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000908608038 785562765 /nfs/dbraw/zinc/56/27/65/785562765.db2.gz HEHHJLYBMVDTRI-IUODEOHRSA-N -1 1 331.347 2.301 20 0 EEADMM CN1CCC[C@@H]1c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[nH]n1 ZINC000908612587 785590091 /nfs/dbraw/zinc/59/00/91/785590091.db2.gz KNMJHLGPJYEKKB-KSYCFECVSA-N -1 1 346.431 2.034 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2csc3ccccc23)C1 ZINC000908752194 785699368 /nfs/dbraw/zinc/69/93/68/785699368.db2.gz BYZZBTGXEOBEPX-LBPRGKRZSA-N -1 1 332.425 2.314 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCC[C@H](OC)C2)c1 ZINC000819959224 785720410 /nfs/dbraw/zinc/72/04/10/785720410.db2.gz BRVFRAQISNQYQF-AHASJALOSA-N -1 1 326.414 2.304 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908799166 785734067 /nfs/dbraw/zinc/73/40/67/785734067.db2.gz MZPWOSPQGYQGKX-QAPCUYQASA-N -1 1 330.428 2.359 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908799166 785734072 /nfs/dbraw/zinc/73/40/72/785734072.db2.gz MZPWOSPQGYQGKX-QAPCUYQASA-N -1 1 330.428 2.359 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000908813223 785746806 /nfs/dbraw/zinc/74/68/06/785746806.db2.gz JWNDYAFBQJDTOB-AIMRDXAKSA-N -1 1 325.434 2.069 20 0 EEADMM C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000909126224 786009243 /nfs/dbraw/zinc/00/92/43/786009243.db2.gz NBNIBROEYBNYBG-CABZTGNLSA-N -1 1 347.337 2.080 20 0 EEADMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2)C(C)(C)C ZINC000996143792 786081519 /nfs/dbraw/zinc/08/15/19/786081519.db2.gz YCDVACRZZFNRCE-CRWXNKLISA-N -1 1 345.443 2.331 20 0 EEADMM CN1CCC[C@@H]1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909787119 786248353 /nfs/dbraw/zinc/24/83/53/786248353.db2.gz BOSSXRLHKVHKST-USXIJHARSA-N -1 1 330.428 2.160 20 0 EEADMM C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909825550 786257936 /nfs/dbraw/zinc/25/79/36/786257936.db2.gz XIIJJMXDUIMGHN-AEGPPILISA-N -1 1 341.411 2.278 20 0 EEADMM C[C@H]1CCCN(C(=O)CC2(C)CCCC2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036546271 786633753 /nfs/dbraw/zinc/63/37/53/786633753.db2.gz IGEHWRFKNNUOHL-KBPBESRZSA-N -1 1 349.479 2.197 20 0 EEADMM O=C([O-])c1cn([C@H]2CCCN(c3ccncc3C(F)(F)F)C2)nn1 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CC[C@H](OC1CCCC1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000913437620 788874916 /nfs/dbraw/zinc/87/49/16/788874916.db2.gz HLHAIDHKFJWIAP-LSDHHAIUSA-N -1 1 329.404 2.143 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000913437240 788875262 /nfs/dbraw/zinc/87/52/62/788875262.db2.gz KMMLQNZTOVYHDL-MRXNPFEDSA-N -1 1 334.383 2.300 20 0 EEADMM O=C(CCc1cn[nH]c1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000913482362 788931899 /nfs/dbraw/zinc/93/18/99/788931899.db2.gz NFADCNJKADKRCF-UHFFFAOYSA-N -1 1 348.834 2.046 20 0 EEADMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000151418582 788947225 /nfs/dbraw/zinc/94/72/25/788947225.db2.gz ACJGGLPAPUASHH-UHFFFAOYSA-N -1 1 337.401 2.394 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001005951599 789007953 /nfs/dbraw/zinc/00/79/53/789007953.db2.gz NZGFJMAGNNBBAA-CHWSQXEVSA-N -1 1 345.443 2.190 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cc1 ZINC000055597824 789204523 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CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCCCCC#N)o1 ZINC000046314268 789969095 /nfs/dbraw/zinc/96/90/95/789969095.db2.gz PIIMFBMERDUQTL-UHFFFAOYSA-N -1 1 328.390 2.207 20 0 EEADMM COc1ccnc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)c1 ZINC001144663839 790019718 /nfs/dbraw/zinc/01/97/18/790019718.db2.gz KWSFHSKGRNQYCQ-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM O=C(COC(=O)[C@@H]1Cc2ccccc2S1)[N-]C(=O)c1ccccc1 ZINC000058937637 790053820 /nfs/dbraw/zinc/05/38/20/790053820.db2.gz KJHZTDPHGFVFRB-HNNXBMFYSA-N -1 1 341.388 2.203 20 0 EEADMM CC(C)(CC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ccccc1 ZINC001144733635 790081688 /nfs/dbraw/zinc/08/16/88/790081688.db2.gz WLAXLDOBMIQQQA-UHFFFAOYSA-N -1 1 327.344 2.022 20 0 EEADMM O=C(N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-])C1=CCCC1 ZINC000946379847 791462181 /nfs/dbraw/zinc/46/21/81/791462181.db2.gz YMZWPGTWTDFADA-CABCVRRESA-N -1 1 343.427 2.302 20 0 EEADMM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000230626091 791721191 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C[C@@H]1CCC[C@]1(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421809 793059671 /nfs/dbraw/zinc/05/96/71/793059671.db2.gz VWDUUQFPHSQQLR-ACJLOTCBSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](C[C@H](C)Nc1cncc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001089272740 793928554 /nfs/dbraw/zinc/92/85/54/793928554.db2.gz QOLAORGBQZRFKL-VHSXEESVSA-N -1 1 335.795 2.240 20 0 EEADMM O=C(c1c(F)ccc(F)c1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913745788 794195647 /nfs/dbraw/zinc/19/56/47/794195647.db2.gz OERDAKFJJGNJAH-UHFFFAOYSA-N -1 1 327.722 2.151 20 0 EEADMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743830 794206439 /nfs/dbraw/zinc/20/64/39/794206439.db2.gz MZSZXQHTBNNVQK-YUELXQCFSA-N -1 1 335.452 2.280 20 0 EEADMM COc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1C1CC1 ZINC000913744895 794209830 /nfs/dbraw/zinc/20/98/30/794209830.db2.gz JKGMVZZUBGIOIX-UHFFFAOYSA-N -1 1 327.388 2.106 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060435418 794672446 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CC(=O)c1cc(Cl)cc(CN(C)Cc2nnc3n2CCC3)c1[O-] ZINC000085871229 798049890 /nfs/dbraw/zinc/04/98/90/798049890.db2.gz MJLKXNUKCBXKGW-UHFFFAOYSA-N -1 1 334.807 2.418 20 0 EEADMM O=C(NC1CCN(Cc2cc(F)ccc2F)CC1)c1ncccc1[O-] ZINC001002655432 798388989 /nfs/dbraw/zinc/38/89/89/798388989.db2.gz DSRCWNDLYBYLAF-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(NCc1ccc(CCNc2ncccn2)cc1)c1ncccc1[O-] ZINC001061146997 798608072 /nfs/dbraw/zinc/60/80/72/798608072.db2.gz VGNLJWUXYGUAEL-UHFFFAOYSA-N -1 1 349.394 2.162 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2csc(C(F)(F)F)n2)n1 ZINC001177278285 798844596 /nfs/dbraw/zinc/84/45/96/798844596.db2.gz BMKKPGUPIBGWMF-UHFFFAOYSA-N -1 1 348.306 2.243 20 0 EEADMM Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001065700850 799390135 /nfs/dbraw/zinc/39/01/35/799390135.db2.gz QOZIBQDIZIGMJO-JSGCOSHPSA-N -1 1 341.415 2.157 20 0 EEADMM Cc1nc2ccccc2c(C)c1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000825277436 800324162 /nfs/dbraw/zinc/32/41/62/800324162.db2.gz UGHXWTKMGLBBSQ-UHFFFAOYSA-N -1 1 336.399 2.385 20 0 EEADMM COc1ccc2cccc(CC(=O)Nc3[n-]c(=O)nc4nc[nH]c43)c2c1 ZINC001181239625 800711914 /nfs/dbraw/zinc/71/19/14/800711914.db2.gz AOYRAWWMFQTIGB-UHFFFAOYSA-N -1 1 349.350 2.402 20 0 EEADMM CCc1cccc(CN2CC[C@@H]2CN(C)C(=O)c2n[nH]c(C)c2[O-])c1 ZINC001085549883 800748336 /nfs/dbraw/zinc/74/83/36/800748336.db2.gz GMCAZJKFZCWZOV-MRXNPFEDSA-N -1 1 342.443 2.333 20 0 EEADMM CN(C[C@H]1CCN1Cc1cccc(F)c1F)C(=O)c1ncccc1[O-] ZINC001085562630 800788644 /nfs/dbraw/zinc/78/86/44/800788644.db2.gz QNOLBVCQEPRBFD-CYBMUJFWSA-N -1 1 347.365 2.412 20 0 EEADMM CC(C)(OC(=O)c1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001182720194 801305722 /nfs/dbraw/zinc/30/57/22/801305722.db2.gz URWFXBBKTQISQG-UHFFFAOYSA-N -1 1 342.277 2.398 20 0 EEADMM Cc1nc2c([N-]S(=O)(=O)c3cnc(Cl)nc3)cccn2c1C ZINC001185008263 802286201 /nfs/dbraw/zinc/28/62/01/802286201.db2.gz BAVFRDPVNVZQHX-UHFFFAOYSA-N -1 1 337.792 2.195 20 0 EEADMM NC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cc1F ZINC001185152551 802387521 /nfs/dbraw/zinc/38/75/21/802387521.db2.gz KIHLBIQIBDXAOA-UHFFFAOYSA-N -1 1 344.314 2.145 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cncc(C3CC3)c2)cc1C(=O)[O-] ZINC001185275069 802432642 /nfs/dbraw/zinc/43/26/42/802432642.db2.gz DFEZTZBJTQNKEI-UHFFFAOYSA-N -1 1 348.380 2.467 20 0 EEADMM Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)NCc2n[nH]c(=O)[n-]2)s1 ZINC001004700665 802630667 /nfs/dbraw/zinc/63/06/67/802630667.db2.gz UGKRLLVGPLTPFI-VXGBXAGGSA-N -1 1 349.460 2.053 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)no1 ZINC000379624101 802827080 /nfs/dbraw/zinc/82/70/80/802827080.db2.gz ZCNIJSXQBPDBBU-AWEZNQCLSA-N -1 1 343.383 2.157 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nc(COc2ccccc2)cs1 ZINC001169198671 803647560 /nfs/dbraw/zinc/64/75/60/803647560.db2.gz BZTGXYIWEWIIMN-UHFFFAOYSA-N -1 1 344.400 2.197 20 0 EEADMM CC(C)c1nccc(N[C@@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112982687 807785550 /nfs/dbraw/zinc/78/55/50/807785550.db2.gz ANIDOWQMLAQQIW-NWDGAFQWSA-N -1 1 329.404 2.320 20 0 EEADMM CCc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]nc3c2CCCCC3)cc1 ZINC000789426414 807995183 /nfs/dbraw/zinc/99/51/83/807995183.db2.gz OKBMGEMVQYKURM-UHFFFAOYSA-N -1 1 347.440 2.360 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)C(C)(C)F)c2)n1 ZINC000790160258 808462736 /nfs/dbraw/zinc/46/27/36/808462736.db2.gz PHPNJIVTKJCLGD-UHFFFAOYSA-N -1 1 334.351 2.013 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CCCCNCc2nc(C)c(C)o2)c1[O-] ZINC001170192319 809807306 /nfs/dbraw/zinc/80/73/06/809807306.db2.gz VRLKELIMWFYBRK-JTQLQIEISA-N -1 1 349.435 2.107 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ncncc2OCc2ccccc2)[n-]1 ZINC001170223844 809842212 /nfs/dbraw/zinc/84/22/12/809842212.db2.gz RTFFIWSTYNMPLL-UHFFFAOYSA-N -1 1 335.327 2.171 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3COc4ccc(Cl)cc43)ccnc1-2 ZINC000806484954 811895251 /nfs/dbraw/zinc/89/52/51/811895251.db2.gz RILVFMNQSMKQSX-CYBMUJFWSA-N -1 1 343.774 2.250 20 0 EEADMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000806633071 811951547 /nfs/dbraw/zinc/95/15/47/811951547.db2.gz AGLPXVFGRVPVTQ-UHFFFAOYSA-N -1 1 342.760 2.248 20 0 EEADMM O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000807431306 812215577 /nfs/dbraw/zinc/21/55/77/812215577.db2.gz DAFIMQKGSKKAPD-CQSZACIVSA-N -1 1 337.734 2.217 20 0 EEADMM O=C(Cn1cc(Cl)cn1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000808552293 812697675 /nfs/dbraw/zinc/69/76/75/812697675.db2.gz ZJPOBZPWHTVXHT-UHFFFAOYSA-N -1 1 334.715 2.092 20 0 EEADMM Brc1cnsc1COc1cccnc1-c1nnn[n-]1 ZINC001573280767 946667725 /nfs/dbraw/zinc/66/77/25/946667725.db2.gz RSKCFSXKSGPHRD-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM Brc1cnsc1COc1cccnc1-c1nn[n-]n1 ZINC001573280767 946667730 /nfs/dbraw/zinc/66/77/30/946667730.db2.gz RSKCFSXKSGPHRD-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM CC(=O)c1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573555106 946904079 /nfs/dbraw/zinc/90/40/79/946904079.db2.gz BBMGBCKAEYVOAV-UHFFFAOYSA-N -1 1 327.369 2.061 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345081 948017962 /nfs/dbraw/zinc/01/79/62/948017962.db2.gz BFCJFAHIPUFAJT-WDEREUQCSA-N -1 1 340.387 2.014 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345081 948017971 /nfs/dbraw/zinc/01/79/71/948017971.db2.gz BFCJFAHIPUFAJT-WDEREUQCSA-N -1 1 340.387 2.014 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826347128 948048573 /nfs/dbraw/zinc/04/85/73/948048573.db2.gz FZCBREUOSAMXJL-NSHDSACASA-N -1 1 340.387 2.016 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826347128 948048576 /nfs/dbraw/zinc/04/85/76/948048576.db2.gz FZCBREUOSAMXJL-NSHDSACASA-N -1 1 340.387 2.016 20 0 EEADMM Clc1ccnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000826354250 948106998 /nfs/dbraw/zinc/10/69/98/948106998.db2.gz VIBUVSMJHYMDMT-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1ccnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000826354250 948107002 /nfs/dbraw/zinc/10/70/02/948107002.db2.gz VIBUVSMJHYMDMT-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001602795507 971556553 /nfs/dbraw/zinc/55/65/53/971556553.db2.gz GNDSFXPHLLMYNQ-KGLIPLIRSA-N -1 1 336.436 2.368 20 0 EEADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC001589599520 949197935 /nfs/dbraw/zinc/19/79/35/949197935.db2.gz YZWCRBLRTGYUHS-QGZVFWFLSA-N -1 1 343.387 2.376 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001575857405 949267950 /nfs/dbraw/zinc/26/79/50/949267950.db2.gz QJABCDJRTPQJMG-PBHICJAKSA-N -1 1 335.371 2.113 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001575857405 949267969 /nfs/dbraw/zinc/26/79/69/949267969.db2.gz QJABCDJRTPQJMG-PBHICJAKSA-N -1 1 335.371 2.113 20 0 EEADMM CC1=NN(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc2)CC1 ZINC001575865354 949367603 /nfs/dbraw/zinc/36/76/03/949367603.db2.gz KUQHXGAGMMRFDJ-UHFFFAOYSA-N -1 1 348.370 2.100 20 0 EEADMM CC1=NN(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc2)CC1 ZINC001575865354 949367624 /nfs/dbraw/zinc/36/76/24/949367624.db2.gz KUQHXGAGMMRFDJ-UHFFFAOYSA-N -1 1 348.370 2.100 20 0 EEADMM COCc1nc(OC)cc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001570948741 949617275 /nfs/dbraw/zinc/61/72/75/949617275.db2.gz HYXYTOCBXQQSCR-UHFFFAOYSA-N -1 1 348.363 2.102 20 0 EEADMM COCc1nc(OC)cc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001570948741 949617293 /nfs/dbraw/zinc/61/72/93/949617293.db2.gz HYXYTOCBXQQSCR-UHFFFAOYSA-N -1 1 348.363 2.102 20 0 EEADMM CCN(CCNC(=O)Nc1cccnc1C(=O)[O-])CCC(F)(F)F ZINC001589734141 950515794 /nfs/dbraw/zinc/51/57/94/950515794.db2.gz RISMDKAELIHMQO-UHFFFAOYSA-N -1 1 348.325 2.176 20 0 EEADMM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC001595014716 951276689 /nfs/dbraw/zinc/27/66/89/951276689.db2.gz AOWVULUIOOOHQL-CYBMUJFWSA-N -1 1 343.387 2.376 20 0 EEADMM C[C@H](NCc1c(Br)cncc1Br)C(=O)[O-] ZINC000394519098 951454199 /nfs/dbraw/zinc/45/41/99/951454199.db2.gz GTEDLMNZVGSPHS-YFKPBYRVSA-N -1 1 337.999 2.169 20 0 EEADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC001575174644 952376811 /nfs/dbraw/zinc/37/68/11/952376811.db2.gz BMOGNLRQYLCFNT-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM CCc1ccc([C@H](COC)NCC2(O)CCC(C(=O)[O-])CC2)o1 ZINC001593637368 953617929 /nfs/dbraw/zinc/61/79/29/953617929.db2.gz UPYGUCGELNDTKH-TVIZTDCDSA-N -1 1 325.405 2.125 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1F ZINC001594785716 953668358 /nfs/dbraw/zinc/66/83/58/953668358.db2.gz PDKYQFNEYHMALT-HNNXBMFYSA-N -1 1 327.315 2.128 20 0 EEADMM CN(C)c1nc2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2[nH]1 ZINC001593714964 954205462 /nfs/dbraw/zinc/20/54/62/954205462.db2.gz APDGUTBYJPAGPL-KRWDZBQOSA-N -1 1 328.372 2.379 20 0 EEADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC[C@@H]4COC[C@@H]43)o2)C1 ZINC001594917538 954770489 /nfs/dbraw/zinc/77/04/89/954770489.db2.gz OWQFLMWNBYYKCM-FMKPAKJESA-N -1 1 334.416 2.191 20 0 EEADMM COC(=O)c1cc(Br)oc1CNCCC(C)(C)C(=O)[O-] ZINC001593867881 955604008 /nfs/dbraw/zinc/60/40/08/955604008.db2.gz PZWOYJMWVZOQIJ-UHFFFAOYSA-N -1 1 348.193 2.419 20 0 EEADMM Cn1ncc(C(=O)[O-])c1CNCc1ccc(OC2CCCC2)nc1 ZINC001594583545 955992592 /nfs/dbraw/zinc/99/25/92/955992592.db2.gz SVKNLFHAIDXNTH-UHFFFAOYSA-N -1 1 330.388 2.125 20 0 EEADMM Cc1csc(-c2nc([C@@H](N)CC(=O)[O-])no2)c1Br ZINC001594436049 959233722 /nfs/dbraw/zinc/23/37/22/959233722.db2.gz SELNLKSEJJEYCM-YFKPBYRVSA-N -1 1 332.179 2.344 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(C(=O)N3CCNCC3)cc2)cc1F ZINC001241187826 960636320 /nfs/dbraw/zinc/63/63/20/960636320.db2.gz PYYCASXYDWPRHF-UHFFFAOYSA-N -1 1 328.343 2.236 20 0 EEADMM Cc1cccc(S(=O)(=O)CCCN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001574396958 961212022 /nfs/dbraw/zinc/21/20/22/961212022.db2.gz GKXYZIXCYNONFF-GDBMZVCRSA-N -1 1 339.457 2.201 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCN1CCC(=O)[O-] ZINC001571181979 962167489 /nfs/dbraw/zinc/16/74/89/962167489.db2.gz OZDZPKLYXAYGJL-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC001571202070 962376478 /nfs/dbraw/zinc/37/64/78/962376478.db2.gz 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577979525 /nfs/dbraw/zinc/97/95/25/577979525.db2.gz UFEOOFLRFYRMPX-CYBMUJFWSA-N -1 1 348.468 2.198 20 0 EEADMM CC[C@H](C)NC(=S)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000749766827 577981396 /nfs/dbraw/zinc/98/13/96/577981396.db2.gz XJJOJZFNAKMOGP-VIFPVBQESA-N -1 1 331.463 2.152 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](C)c2cccs2)cc1 ZINC000738781359 578026603 /nfs/dbraw/zinc/02/66/03/578026603.db2.gz QDCKHWMJUWYCSY-NSHDSACASA-N -1 1 347.392 2.360 20 0 EEADMM O=C([O-])[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000739583422 578059373 /nfs/dbraw/zinc/05/93/73/578059373.db2.gz FWSYCNLJRGOYSH-AAEUAGOBSA-N -1 1 328.206 2.279 20 0 EEADMM O=C([O-])c1cccc(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000740214955 578085979 /nfs/dbraw/zinc/08/59/79/578085979.db2.gz BEQNMDIEBPZAJC-CQSZACIVSA-N -1 1 326.352 2.211 20 0 EEADMM C[C@H](COc1cccc(F)c1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736037437 578177944 /nfs/dbraw/zinc/17/79/44/578177944.db2.gz GVWZUEIXLFNGHN-SNVBAGLBSA-N -1 1 343.318 2.025 20 0 EEADMM C[C@H](COc1cccc(F)c1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736037437 578177945 /nfs/dbraw/zinc/17/79/45/578177945.db2.gz GVWZUEIXLFNGHN-SNVBAGLBSA-N -1 1 343.318 2.025 20 0 EEADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736204518 578187077 /nfs/dbraw/zinc/18/70/77/578187077.db2.gz QVULWXWSHUWOGU-JTQLQIEISA-N -1 1 326.335 2.234 20 0 EEADMM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736204518 578187078 /nfs/dbraw/zinc/18/70/78/578187078.db2.gz QVULWXWSHUWOGU-JTQLQIEISA-N -1 1 326.335 2.234 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736302051 578194315 /nfs/dbraw/zinc/19/43/15/578194315.db2.gz PPHRQHXNEUEOOE-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736302051 578194316 /nfs/dbraw/zinc/19/43/16/578194316.db2.gz PPHRQHXNEUEOOE-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1)c1nn[n-]n1 ZINC000736427623 578203384 /nfs/dbraw/zinc/20/33/84/578203384.db2.gz YGNJJYJUXFKGID-ZNMIVQPWSA-N -1 1 328.420 2.027 20 0 EEADMM C[C@@H](CN(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(=O)[O-] ZINC000736576727 578212523 /nfs/dbraw/zinc/21/25/23/578212523.db2.gz HGLXGRDRZLTARL-JTQLQIEISA-N -1 1 333.413 2.062 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnc(-c2ccccc2)[nH]1 ZINC000736673097 578217418 /nfs/dbraw/zinc/21/74/18/578217418.db2.gz OEMLESPCZOUZIL-HNNXBMFYSA-N -1 1 345.366 2.109 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)c1nccnc1-c1nnn[n-]1 ZINC000736822463 578225803 /nfs/dbraw/zinc/22/58/03/578225803.db2.gz OXIGZCYWAPCBBF-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)c1nccnc1-c1nn[n-]n1 ZINC000736822463 578225804 /nfs/dbraw/zinc/22/58/04/578225804.db2.gz OXIGZCYWAPCBBF-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000736878539 578228155 /nfs/dbraw/zinc/22/81/55/578228155.db2.gz MDSGGXFFGAXGNF-KMCQBPLKSA-N -1 1 332.444 2.480 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@H](c1ncccc1C)C(C)C)C(=O)[O-] ZINC000736889730 578228316 /nfs/dbraw/zinc/22/83/16/578228316.db2.gz YUZBBCHHYHRPQI-NUTKFTJISA-N -1 1 335.448 2.292 20 0 EEADMM CCCC(=O)N[C@@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736950818 578230687 /nfs/dbraw/zinc/23/06/87/578230687.db2.gz FKZVYCISMQLNBT-OAHLLOKOSA-N -1 1 334.416 2.144 20 0 EEADMM CCC[C@@](C)(NCc1csc(N(C(C)=O)C2CC2)n1)C(=O)[O-] ZINC000736961888 578231333 /nfs/dbraw/zinc/23/13/33/578231333.db2.gz DBIYCARNYOWKRT-OAHLLOKOSA-N -1 1 325.434 2.391 20 0 EEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737270563 578247335 /nfs/dbraw/zinc/24/73/35/578247335.db2.gz MOYFNMXDWVJIQR-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM CN(C(=O)c1cc(-c2cccs2)n[nH]1)c1nc(CC(=O)[O-])cs1 ZINC000737334511 578251078 /nfs/dbraw/zinc/25/10/78/578251078.db2.gz ZHGVONJSEHXJJT-UHFFFAOYSA-N -1 1 348.409 2.498 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737336599 578251161 /nfs/dbraw/zinc/25/11/61/578251161.db2.gz ZTHHHQNGZULSIH-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737336599 578251162 /nfs/dbraw/zinc/25/11/62/578251162.db2.gz ZTHHHQNGZULSIH-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2CCCC2)CC1 ZINC000823478134 599194791 /nfs/dbraw/zinc/19/47/91/599194791.db2.gz HELAMPIVSDOMKI-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2CCCC2)CC1 ZINC000823478134 599194793 /nfs/dbraw/zinc/19/47/93/599194793.db2.gz HELAMPIVSDOMKI-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823478788 607351738 /nfs/dbraw/zinc/35/17/38/607351738.db2.gz SKKDYDSASDAKKZ-UHFFFAOYSA-N -1 1 342.309 2.010 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823478788 607351740 /nfs/dbraw/zinc/35/17/40/607351740.db2.gz SKKDYDSASDAKKZ-UHFFFAOYSA-N -1 1 342.309 2.010 20 0 EEADMM Cc1nn(C)c(C)c1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822491742 599512406 /nfs/dbraw/zinc/51/24/06/599512406.db2.gz FIKYREWPTYMKFZ-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM Cc1nn(C)c(C)c1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822491742 599512409 /nfs/dbraw/zinc/51/24/09/599512409.db2.gz FIKYREWPTYMKFZ-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM CC(C)(C)NC(=O)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819922578 599520667 /nfs/dbraw/zinc/52/06/67/599520667.db2.gz MKPITMBKTRMXLW-UHFFFAOYSA-N -1 1 339.403 2.132 20 0 EEADMM CC(C)(C)NC(=O)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819922578 599520668 /nfs/dbraw/zinc/52/06/68/599520668.db2.gz MKPITMBKTRMXLW-UHFFFAOYSA-N -1 1 339.403 2.132 20 0 EEADMM CC(C)C[C@@H](CCO)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820054852 599686288 /nfs/dbraw/zinc/68/62/88/599686288.db2.gz DCPSGQABWGIKLU-GFCCVEGCSA-N -1 1 341.419 2.267 20 0 EEADMM CC(C)C[C@@H](CCO)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820054852 599686289 /nfs/dbraw/zinc/68/62/89/599686289.db2.gz DCPSGQABWGIKLU-GFCCVEGCSA-N -1 1 341.419 2.267 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000274140162 600131484 /nfs/dbraw/zinc/13/14/84/600131484.db2.gz ABNUOFUIFULHPH-LSDHHAIUSA-N -1 1 345.443 2.410 20 0 EEADMM Cn1cc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C(=O)[O-] ZINC000320647683 600809174 /nfs/dbraw/zinc/80/91/74/600809174.db2.gz JNSHUURTAXSDJI-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM COC[C@H](C)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000831643496 600986689 /nfs/dbraw/zinc/98/66/89/600986689.db2.gz KPJGPRVGAFSHQR-SWLSCSKDSA-N -1 1 326.824 2.118 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CNC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000828718364 600998782 /nfs/dbraw/zinc/99/87/82/600998782.db2.gz LZRCVTMVYGGICQ-WBMJQRKESA-N -1 1 336.432 2.135 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000827374943 601096237 /nfs/dbraw/zinc/09/62/37/601096237.db2.gz OVCLWQGPRMYDBR-SECBINFHSA-N -1 1 346.761 2.239 20 0 EEADMM O=C([O-])c1cc(NC(=O)CSc2n[nH]c(=S)s2)ccc1F ZINC000833116345 601273549 /nfs/dbraw/zinc/27/35/49/601273549.db2.gz RKLBTRKJJJJCGY-UHFFFAOYSA-N -1 1 345.402 2.395 20 0 EEADMM CN(Cc1nc2c(s1)CCCC2)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825985842 607510520 /nfs/dbraw/zinc/51/05/20/607510520.db2.gz CJQKOMMHIPJWBU-UHFFFAOYSA-N -1 1 341.444 2.229 20 0 EEADMM CCN(C(=O)CN1C[C@@H](C)[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829596811 601517232 /nfs/dbraw/zinc/51/72/32/601517232.db2.gz CLGGYFAUCFTVFE-VXGBXAGGSA-N -1 1 347.440 2.302 20 0 EEADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425325 601518585 /nfs/dbraw/zinc/51/85/85/601518585.db2.gz YRBOGXNUNZGHND-YWVKMMECSA-N -1 1 328.771 2.459 20 0 EEADMM O=[S@@](Cc1ccc(Cl)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826496507 607528564 /nfs/dbraw/zinc/52/85/64/607528564.db2.gz YOLSYUWMSFSBMR-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=[S@@](Cc1ccc(Cl)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826496507 607528565 /nfs/dbraw/zinc/52/85/65/607528565.db2.gz YOLSYUWMSFSBMR-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM CN(CC1CCCC1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000830714543 601876049 /nfs/dbraw/zinc/87/60/49/601876049.db2.gz ULYJIHUHKIAICS-UHFFFAOYSA-N -1 1 345.399 2.233 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2O)c1C(=O)[O-] ZINC000832972482 602308760 /nfs/dbraw/zinc/30/87/60/602308760.db2.gz DBEDBTFJLJKXRC-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(C)ccc2Cl)c1C(=O)[O-] ZINC000832935613 602322098 /nfs/dbraw/zinc/32/20/98/602322098.db2.gz UTIJYCOCHIMQDL-UHFFFAOYSA-N -1 1 329.765 2.179 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(C)c1 ZINC000826292124 607577472 /nfs/dbraw/zinc/57/74/72/607577472.db2.gz JDKUOJIZKDVZGB-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826292124 607577475 /nfs/dbraw/zinc/57/74/75/607577475.db2.gz JDKUOJIZKDVZGB-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc2n1 ZINC000826294796 607614665 /nfs/dbraw/zinc/61/46/65/607614665.db2.gz CXBSZUVTQRFWLH-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc2n1 ZINC000826294796 607614667 /nfs/dbraw/zinc/61/46/67/607614667.db2.gz CXBSZUVTQRFWLH-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM COc1ccc(NC(=O)CCN2CC[C@@](F)(C(=O)[O-])C2)cc1Cl ZINC000832393612 604481325 /nfs/dbraw/zinc/48/13/25/604481325.db2.gz DCTHTFDMWQMBQF-HNNXBMFYSA-N -1 1 344.770 2.176 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(CCOc2ccc(F)cc2Cl)CC1 ZINC000833770462 604718800 /nfs/dbraw/zinc/71/88/00/604718800.db2.gz GYKSRLVLCKBAHU-AWEZNQCLSA-N -1 1 331.771 2.015 20 0 EEADMM COc1cccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1OC(C)C ZINC000833735841 604761845 /nfs/dbraw/zinc/76/18/45/604761845.db2.gz YSUJNMOCKXZJLA-INIZCTEOSA-N -1 1 337.416 2.140 20 0 EEADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000320397171 604889490 /nfs/dbraw/zinc/88/94/90/604889490.db2.gz BIJLRLUDZOQUCR-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(O[C@H]2CCOC2)c1 ZINC000832934596 605007630 /nfs/dbraw/zinc/00/76/30/605007630.db2.gz UCYWCDLNTJQKOE-WMZOPIPTSA-N -1 1 342.395 2.473 20 0 EEADMM CC(C)COc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833488765 605110652 /nfs/dbraw/zinc/11/06/52/605110652.db2.gz OTHBTVSGQJJBBJ-HNNXBMFYSA-N -1 1 348.443 2.342 20 0 EEADMM CC(C)(C)[C@H](NCC(=O)NCCC(=O)[O-])c1ccc(F)cc1F ZINC000833423622 605176088 /nfs/dbraw/zinc/17/60/88/605176088.db2.gz OCQYVQOCMHVOQU-OAHLLOKOSA-N -1 1 328.359 2.233 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCN1CCC(=O)[O-] ZINC000833619254 605258683 /nfs/dbraw/zinc/25/86/83/605258683.db2.gz BRJJJZPWNCQPOX-CQSZACIVSA-N -1 1 330.428 2.186 20 0 EEADMM C[C@H](CN(CN1C[C@@H](c2ccccc2F)CC1=O)C1CC1)C(=O)[O-] ZINC000833516136 605345382 /nfs/dbraw/zinc/34/53/82/605345382.db2.gz FPCLBCHBTCDHCH-OLZOCXBDSA-N -1 1 334.391 2.284 20 0 EEADMM CCc1nc([C@@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000821505973 606461930 /nfs/dbraw/zinc/46/19/30/606461930.db2.gz VGNZFHLXMWVVIM-VIFPVBQESA-N -1 1 346.782 2.202 20 0 EEADMM CCc1nc([C@@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000821505973 606461932 /nfs/dbraw/zinc/46/19/32/606461932.db2.gz VGNZFHLXMWVVIM-VIFPVBQESA-N -1 1 346.782 2.202 20 0 EEADMM C[C@@H](Cc1ccncc1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820299821 606478851 /nfs/dbraw/zinc/47/88/51/606478851.db2.gz LANUSCIAEDUYGG-NSHDSACASA-N -1 1 332.371 2.248 20 0 EEADMM C[C@@H](Cc1ccncc1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820299821 606478853 /nfs/dbraw/zinc/47/88/53/606478853.db2.gz LANUSCIAEDUYGG-NSHDSACASA-N -1 1 332.371 2.248 20 0 EEADMM O=C(NCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823196886 606502445 /nfs/dbraw/zinc/50/24/45/606502445.db2.gz LWWABPXYFRHUMV-UHFFFAOYSA-N -1 1 329.385 2.127 20 0 EEADMM O=C(NCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196886 606502446 /nfs/dbraw/zinc/50/24/46/606502446.db2.gz LWWABPXYFRHUMV-UHFFFAOYSA-N -1 1 329.385 2.127 20 0 EEADMM CC(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820120670 606514341 /nfs/dbraw/zinc/51/43/41/606514341.db2.gz INLMJOJDVZLRNS-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM CC(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820120670 606514342 /nfs/dbraw/zinc/51/43/42/606514342.db2.gz INLMJOJDVZLRNS-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM COc1cccc(C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821864397 606560667 /nfs/dbraw/zinc/56/06/67/606560667.db2.gz YOLAWYGHTZWEDB-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM COc1cccc(C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821864397 606560669 /nfs/dbraw/zinc/56/06/69/606560669.db2.gz YOLAWYGHTZWEDB-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC000820026048 606567466 /nfs/dbraw/zinc/56/74/66/606567466.db2.gz GODKAQILKVXMOP-CYBMUJFWSA-N -1 1 328.401 2.450 20 0 EEADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC000820026048 606567467 /nfs/dbraw/zinc/56/74/67/606567467.db2.gz GODKAQILKVXMOP-CYBMUJFWSA-N -1 1 328.401 2.450 20 0 EEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821357388 606571314 /nfs/dbraw/zinc/57/13/14/606571314.db2.gz CWMOYRZWGHAODO-RYUDHWBXSA-N -1 1 335.433 2.204 20 0 EEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821357388 606571315 /nfs/dbraw/zinc/57/13/15/606571315.db2.gz CWMOYRZWGHAODO-RYUDHWBXSA-N -1 1 335.433 2.204 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC2(CCCCC2)C1 ZINC000823482885 606575591 /nfs/dbraw/zinc/57/55/91/606575591.db2.gz BKMJZBFCCDATJC-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC2(CCCCC2)C1 ZINC000823482885 606575592 /nfs/dbraw/zinc/57/55/92/606575592.db2.gz BKMJZBFCCDATJC-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000823436348 606652244 /nfs/dbraw/zinc/65/22/44/606652244.db2.gz QVUWADXPIIVDKG-HNNXBMFYSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCc2ccccc21 ZINC000823436348 606652245 /nfs/dbraw/zinc/65/22/45/606652245.db2.gz QVUWADXPIIVDKG-HNNXBMFYSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(CCC(=O)c1cccs1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822950228 606653626 /nfs/dbraw/zinc/65/36/26/606653626.db2.gz GBNMOYHAVORMFU-UHFFFAOYSA-N -1 1 343.368 2.030 20 0 EEADMM O=C(CCC(=O)c1cccs1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822950228 606653627 /nfs/dbraw/zinc/65/36/27/606653627.db2.gz GBNMOYHAVORMFU-UHFFFAOYSA-N -1 1 343.368 2.030 20 0 EEADMM Fc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000822753131 606655279 /nfs/dbraw/zinc/65/52/79/606655279.db2.gz FXFUBXRVVGJBHA-UHFFFAOYSA-N -1 1 327.348 2.374 20 0 EEADMM Fc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000822753131 606655280 /nfs/dbraw/zinc/65/52/80/606655280.db2.gz FXFUBXRVVGJBHA-UHFFFAOYSA-N -1 1 327.348 2.374 20 0 EEADMM CC(C)CO[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820102775 607044348 /nfs/dbraw/zinc/04/43/48/607044348.db2.gz JZYYLOLZCQCDSX-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)CO[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820102775 607044349 /nfs/dbraw/zinc/04/43/49/607044349.db2.gz JZYYLOLZCQCDSX-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)Oc1cccc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000820178686 607104219 /nfs/dbraw/zinc/10/42/19/607104219.db2.gz XQXZYTRGJQKPLC-UHFFFAOYSA-N -1 1 344.400 2.292 20 0 EEADMM CC(C)Oc1cccc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000820178686 607104221 /nfs/dbraw/zinc/10/42/21/607104221.db2.gz XQXZYTRGJQKPLC-UHFFFAOYSA-N -1 1 344.400 2.292 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2ccc(F)c(F)c2C1 ZINC000823488899 607168832 /nfs/dbraw/zinc/16/88/32/607168832.db2.gz XSLKMVKZZKUKHP-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2ccc(F)c(F)c2C1 ZINC000823488899 607168833 /nfs/dbraw/zinc/16/88/33/607168833.db2.gz XSLKMVKZZKUKHP-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821016550 607194786 /nfs/dbraw/zinc/19/47/86/607194786.db2.gz XJXYFPOBCBOKLN-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821016550 607194787 /nfs/dbraw/zinc/19/47/87/607194787.db2.gz XJXYFPOBCBOKLN-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826523187 607822461 /nfs/dbraw/zinc/82/24/61/607822461.db2.gz DIOLLRXXLFOPBE-JCURWCKSSA-N -1 1 348.410 2.206 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826523187 607822462 /nfs/dbraw/zinc/82/24/62/607822462.db2.gz DIOLLRXXLFOPBE-JCURWCKSSA-N -1 1 348.410 2.206 20 0 EEADMM c1cc(Sc2nnc(C3CC3)n2C2CC2)nc(-c2nnn[n-]2)c1 ZINC000826517686 607896114 /nfs/dbraw/zinc/89/61/14/607896114.db2.gz LSTJGZWLWZPBJW-UHFFFAOYSA-N -1 1 326.389 2.217 20 0 EEADMM c1cc(Sc2nnc(C3CC3)n2C2CC2)nc(-c2nn[n-]n2)c1 ZINC000826517686 607896115 /nfs/dbraw/zinc/89/61/15/607896115.db2.gz LSTJGZWLWZPBJW-UHFFFAOYSA-N -1 1 326.389 2.217 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824899507 608420648 /nfs/dbraw/zinc/42/06/48/608420648.db2.gz KNNWKBKLHOJSMO-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824899507 608420649 /nfs/dbraw/zinc/42/06/49/608420649.db2.gz KNNWKBKLHOJSMO-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000824770878 608432808 /nfs/dbraw/zinc/43/28/08/608432808.db2.gz NRRUCHWNSQRPIX-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000824770878 608432809 /nfs/dbraw/zinc/43/28/09/608432809.db2.gz NRRUCHWNSQRPIX-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NC1CCN(c2ccccn2)CC1 ZINC000826280592 608543096 /nfs/dbraw/zinc/54/30/96/608543096.db2.gz IBUJVGKGPCYQDN-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM COc1cccc2[nH]cc(CCNc3cccc(-c4nnn[n-]4)n3)c21 ZINC000826218285 609324692 /nfs/dbraw/zinc/32/46/92/609324692.db2.gz XJOMBEMURXCCTJ-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM COc1cccc2[nH]cc(CCNc3cccc(-c4nn[n-]n4)n3)c21 ZINC000826218285 609324694 /nfs/dbraw/zinc/32/46/94/609324694.db2.gz XJOMBEMURXCCTJ-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM CCN(CC)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825406632 609363302 /nfs/dbraw/zinc/36/33/02/609363302.db2.gz ROXYKURDUONQPT-UHFFFAOYSA-N -1 1 344.354 2.065 20 0 EEADMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866848842 674647580 /nfs/dbraw/zinc/64/75/80/674647580.db2.gz PWLYYZQLACHOEW-SECBINFHSA-N -1 1 341.260 2.464 20 0 EEADMM Cc1cc(Br)cc(C=O)c1OS(=O)(=O)c1c[n-]cn1 ZINC000092345496 674758812 /nfs/dbraw/zinc/75/88/12/674758812.db2.gz LKPPLSCKJVRCJN-UHFFFAOYSA-N -1 1 345.174 2.061 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cscn1 ZINC000947236772 676034610 /nfs/dbraw/zinc/03/46/10/676034610.db2.gz WUAOBXHTYMBUGI-RYUDHWBXSA-N -1 1 332.429 2.027 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1ccc(CF)cc1)c1ncccc1[O-] ZINC001038193127 676057164 /nfs/dbraw/zinc/05/71/64/676057164.db2.gz HRUJXZBVFHFIGU-HNNXBMFYSA-N -1 1 329.375 2.261 20 0 EEADMM COC(OC)c1ccc(C(=O)[N-]c2nc([C@@H](C)OC)ns2)o1 ZINC000807483452 675647642 /nfs/dbraw/zinc/64/76/42/675647642.db2.gz LWHPEPFZMYXDQM-SSDOTTSWSA-N -1 1 327.362 2.382 20 0 EEADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1 ZINC000160707779 676420066 /nfs/dbraw/zinc/42/00/66/676420066.db2.gz DLANNCKKRNRRAW-KGLIPLIRSA-N -1 1 331.441 2.314 20 0 EEADMM C[C@@H]1CCCc2ncc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)n21 ZINC000891616161 676723668 /nfs/dbraw/zinc/72/36/68/676723668.db2.gz ZAYNHBWNMBTBCW-SNVBAGLBSA-N -1 1 327.388 2.407 20 0 EEADMM COCc1nc(NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc(=O)[n-]1 ZINC000892269695 678486012 /nfs/dbraw/zinc/48/60/12/678486012.db2.gz RBNQOSSOIGIMJK-ZDUSSCGKSA-N -1 1 344.415 2.276 20 0 EEADMM CCC[C@H](NC(=O)c1ccn(-c2ccccc2Cl)n1)c1nn[n-]n1 ZINC000176792190 679178073 /nfs/dbraw/zinc/17/80/73/679178073.db2.gz GAZBMMFWAMLMIN-NSHDSACASA-N -1 1 345.794 2.310 20 0 EEADMM Cc1nc(C)c(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001024406773 679891514 /nfs/dbraw/zinc/89/15/14/679891514.db2.gz FPZOJQNJKJVLRY-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1CCC1 ZINC000984801273 685276393 /nfs/dbraw/zinc/27/63/93/685276393.db2.gz MRSJOUWZZHQTIK-UONOGXRCSA-N -1 1 331.416 2.087 20 0 EEADMM COCc1nc(N[C@H]2CCCN(C3CCCCC3)C2=O)cc(=O)[n-]1 ZINC000893395232 685358855 /nfs/dbraw/zinc/35/88/55/685358855.db2.gz MDAHCSRMAIDBBF-ZDUSSCGKSA-N -1 1 334.420 2.064 20 0 EEADMM COc1nscc1C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2O)C1 ZINC001028415114 681341550 /nfs/dbraw/zinc/34/15/50/681341550.db2.gz HSMMROXPJKWLNI-GFCCVEGCSA-N -1 1 347.440 2.109 20 0 EEADMM CN(C(=O)C12CCC(CC1)C2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217016 681701640 /nfs/dbraw/zinc/70/16/40/681701640.db2.gz QYLQBTDONKWTPE-SHYRYGCCSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC000937218587 681721884 /nfs/dbraw/zinc/72/18/84/681721884.db2.gz IVRCFYIBRQVFLW-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM Cn1c(CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)n[n-]c1=S ZINC000066625124 681739097 /nfs/dbraw/zinc/73/90/97/681739097.db2.gz VWUCIMSLRKIVEL-UHFFFAOYSA-N -1 1 335.820 2.471 20 0 EEADMM CC1(C)C(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)C1(C)C ZINC000982593470 681742264 /nfs/dbraw/zinc/74/22/64/681742264.db2.gz HKTSWKFAPQTIHG-LBPRGKRZSA-N -1 1 345.443 2.048 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937228956 681756738 /nfs/dbraw/zinc/75/67/38/681756738.db2.gz BUDFMNIGVOEWKE-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCn1c(CNC(=O)c2cncn2-c2ccc(F)cc2)n[n-]c1=S ZINC000066636879 681781306 /nfs/dbraw/zinc/78/13/06/681781306.db2.gz OROIOKWLUFMFEF-UHFFFAOYSA-N -1 1 346.391 2.215 20 0 EEADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199807 682297100 /nfs/dbraw/zinc/29/71/00/682297100.db2.gz SLWPPGKZJLHEGL-XGUBFFRZSA-N -1 1 345.443 2.381 20 0 EEADMM COCc1nc(NCc2ccc(C)cc2O[C@@H]2CCOC2)cc(=O)[n-]1 ZINC000892902654 683181991 /nfs/dbraw/zinc/18/19/91/683181991.db2.gz ZQZXAGSJPDJOKZ-CQSZACIVSA-N -1 1 345.399 2.417 20 0 EEADMM CCC(NCCc1ccc(C(C)C)cc1)=C1C(=O)[N-]C(=S)NC1=O ZINC000031435033 683451373 /nfs/dbraw/zinc/45/13/73/683451373.db2.gz GGABGMNQSCMEIT-UHFFFAOYSA-N -1 1 345.468 2.137 20 0 EEADMM O=C(CC1CCC1)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001025897624 683602190 /nfs/dbraw/zinc/60/21/90/683602190.db2.gz NKRXUWHRIXKWMC-HUUCEWRRSA-N -1 1 343.427 2.135 20 0 EEADMM COc1ccc([C@@H](CNC(=O)CCC(=O)[O-])N2CCCCC2)cc1 ZINC000262105556 683720407 /nfs/dbraw/zinc/72/04/07/683720407.db2.gz JLSHDQXJYLFWFF-MRXNPFEDSA-N -1 1 334.416 2.203 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974055571 684266100 /nfs/dbraw/zinc/26/61/00/684266100.db2.gz ICJNAPMDYVOGKV-BIENJYKASA-N -1 1 343.427 2.301 20 0 EEADMM Cc1ccc2nc(CNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C(=O)[O-])[nH]c2c1 ZINC000899772604 693863527 /nfs/dbraw/zinc/86/35/27/693863527.db2.gz GSWXVZIEIDITSE-RYRUWHOVSA-N -1 1 339.395 2.401 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ccsc2)CCN1C(=O)c1ncccc1[O-] ZINC000984508841 684655106 /nfs/dbraw/zinc/65/51/06/684655106.db2.gz BIKAALWKSWFGKH-QWHCGFSZSA-N -1 1 345.424 2.272 20 0 EEADMM Cc1cccc(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)c1C ZINC000909524692 684658459 /nfs/dbraw/zinc/65/84/59/684658459.db2.gz DCOCSMJLOLHCOZ-HNNXBMFYSA-N -1 1 339.395 2.299 20 0 EEADMM Cc1csc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)n1 ZINC000974492675 684985614 /nfs/dbraw/zinc/98/56/14/684985614.db2.gz TUKXAVIFTSFWIF-ZDUSSCGKSA-N -1 1 346.456 2.193 20 0 EEADMM CC[C@@H](C)CC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516763 686287401 /nfs/dbraw/zinc/28/74/01/686287401.db2.gz UDMGECXIFIOLSI-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM C/C(=C\C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000975226648 686319727 /nfs/dbraw/zinc/31/97/27/686319727.db2.gz QRQXCLFYVSJQLO-UELRPHRMSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)C(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000975958598 687184871 /nfs/dbraw/zinc/18/48/71/687184871.db2.gz SBOJEELFWVSCLZ-GJZGRUSLSA-N -1 1 345.443 2.429 20 0 EEADMM CC(C)(C)c1nccc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059614198 687402393 /nfs/dbraw/zinc/40/23/93/687402393.db2.gz VRQAPMBNNIAAKA-TXEJJXNPSA-N -1 1 341.415 2.248 20 0 EEADMM CCc1ccc([C@H]2CN(c3cc(=O)[n-]c(COC)n3)CCO2)cc1 ZINC000893450400 687650549 /nfs/dbraw/zinc/65/05/49/687650549.db2.gz MLYCRAVDXYQKCF-OAHLLOKOSA-N -1 1 329.400 2.469 20 0 EEADMM Cc1cccc(Cl)c1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990971026 694135164 /nfs/dbraw/zinc/13/51/64/694135164.db2.gz DSRHAXVUASENLQ-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC001027384936 687839554 /nfs/dbraw/zinc/83/95/54/687839554.db2.gz ZWJRVWZXIYOJBD-AWEZNQCLSA-N -1 1 346.456 2.289 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000986823903 688966796 /nfs/dbraw/zinc/96/67/96/688966796.db2.gz OQVHHQVVDINTKZ-FWWRYZNZSA-N -1 1 343.427 2.110 20 0 EEADMM CC(C)(F)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000986831549 688987070 /nfs/dbraw/zinc/98/70/70/688987070.db2.gz QBSFNLJRHWDLIA-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM COC(=O)c1ccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])o1 ZINC000925266887 689336121 /nfs/dbraw/zinc/33/61/21/689336121.db2.gz YKNGYUKVGOVXLD-UHFFFAOYSA-N -1 1 342.307 2.315 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1 ZINC000987261433 689539382 /nfs/dbraw/zinc/53/93/82/689539382.db2.gz RFXVOWIWUWCFSR-ZQDZILKHSA-N -1 1 349.479 2.052 20 0 EEADMM O=C(C[C@@H]1CCC2(CCC2)CO1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000897668103 691733381 /nfs/dbraw/zinc/73/33/81/691733381.db2.gz DCQYZJVCSIZXCU-ZDUSSCGKSA-N -1 1 335.404 2.221 20 0 EEADMM COc1cc2c(cc1CN1CCSC[C@@H]1CC(=O)[O-])O[C@H](C)C2 ZINC000322860846 692335594 /nfs/dbraw/zinc/33/55/94/692335594.db2.gz VAQRDYOQUMYCHL-RISCZKNCSA-N -1 1 337.441 2.411 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ncccc2[O-])s1 ZINC000977293761 692439574 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O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(Cl)c(F)c1 ZINC000909389957 693556957 /nfs/dbraw/zinc/55/69/57/693556957.db2.gz DDBFKNUYNGMGFK-JRKPZEMJSA-N -1 1 337.738 2.248 20 0 EEADMM CCc1nc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)n[nH]1 ZINC000905376548 694628650 /nfs/dbraw/zinc/62/86/50/694628650.db2.gz VJPQBSHYDGVJJH-GFCCVEGCSA-N -1 1 339.193 2.045 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC=CCC1 ZINC000943083927 1192045367 /nfs/dbraw/zinc/04/53/67/1192045367.db2.gz KSEGGJUZTSJRHC-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM O=C(CC1CCC1)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943214996 1192106812 /nfs/dbraw/zinc/10/68/12/1192106812.db2.gz UVNHHAJFNCCVHJ-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C(=O)N2CCCC[C@H](NC(=O)c3cnn[nH]3)C2)CCCCCC1 ZINC000943357197 1192219099 /nfs/dbraw/zinc/21/90/99/1192219099.db2.gz RSSKHJSJGNTNTN-AWEZNQCLSA-N -1 1 347.463 2.276 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000943458398 1192270801 /nfs/dbraw/zinc/27/08/01/1192270801.db2.gz PTNGKFLMIOIALZ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM O=S(=O)([N-]CCCC1(O)CCC1)c1cnc(Cl)cc1Cl ZINC001345213832 1176204854 /nfs/dbraw/zinc/20/48/54/1176204854.db2.gz MGCINQFANNYRNW-UHFFFAOYSA-N -1 1 339.244 2.362 20 0 EEADMM C[C@H](c1nc2ccccc2o1)N(C)CCNC(=O)c1ncccc1[O-] ZINC001267192453 1178466529 /nfs/dbraw/zinc/46/65/29/1178466529.db2.gz CGDVSCZHLIJPJS-GFCCVEGCSA-N -1 1 340.383 2.351 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1csc(C2CC2)n1 ZINC001480970901 1179400209 /nfs/dbraw/zinc/40/02/09/1179400209.db2.gz HJWKMYWCRRVMQC-UHFFFAOYSA-N -1 1 346.456 2.373 20 0 EEADMM CCN(CCNC(=O)c1cscc1C)C(=O)c1ncccc1[O-] ZINC001408729834 1180102798 /nfs/dbraw/zinc/10/27/98/1180102798.db2.gz SPMVSSNLBMVABT-UHFFFAOYSA-N -1 1 333.413 2.049 20 0 EEADMM CCOc1ccc(CC(=O)OCC(=O)c2ccc([O-])cc2O)cc1 ZINC000018258303 1180437183 /nfs/dbraw/zinc/43/71/83/1180437183.db2.gz UQENZQWWVOCPMY-UHFFFAOYSA-N -1 1 330.336 2.465 20 0 EEADMM CC[C@H](C)C(=O)N1CCC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000944378382 1193048210 /nfs/dbraw/zinc/04/82/10/1193048210.db2.gz ZOLRQGZBQKUJQM-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ncccc1[O-] ZINC001268841931 1183759809 /nfs/dbraw/zinc/75/98/09/1183759809.db2.gz BDUIYSBYWFTOAP-GOSISDBHSA-N -1 1 331.416 2.185 20 0 EEADMM O=C(NCC1(NCc2n[nH]c(=O)[n-]2)CCCC1)C1CCCCCCC1 ZINC001482224392 1184321436 /nfs/dbraw/zinc/32/14/36/1184321436.db2.gz HJXIPGYYPGFKJO-UHFFFAOYSA-N -1 1 349.479 2.389 20 0 EEADMM C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945146017 1193401187 /nfs/dbraw/zinc/40/11/87/1193401187.db2.gz UDTZIKMLMGRYCB-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](C)C2)CC1 ZINC000945513219 1193435005 /nfs/dbraw/zinc/43/50/05/1193435005.db2.gz UQIAYOIARTVTDT-UONOGXRCSA-N -1 1 345.443 2.190 20 0 EEADMM CCC1(C(=O)N2CCCCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001088406675 1186815463 /nfs/dbraw/zinc/81/54/63/1186815463.db2.gz CBQNOKRFXVRWDN-AWEZNQCLSA-N -1 1 349.479 2.342 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccccc1F ZINC001088536065 1187182029 /nfs/dbraw/zinc/18/20/29/1187182029.db2.gz BIGQVIVBUKHURP-DOMZBBRYSA-N -1 1 329.375 2.319 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001272771031 1193490269 /nfs/dbraw/zinc/49/02/69/1193490269.db2.gz TTZGEPYBEFOUMO-UHFFFAOYSA-N -1 1 348.406 2.369 20 0 EEADMM CCCc1occc1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076244992 1188807450 /nfs/dbraw/zinc/80/74/50/1188807450.db2.gz JDZSQUGDDFTRQG-LBPRGKRZSA-N -1 1 345.399 2.271 20 0 EEADMM CC[C@H](CNC(=O)CC(C)(C)C1CCCCC1)NC(=O)c1cnn[nH]1 ZINC001409339623 1189544837 /nfs/dbraw/zinc/54/48/37/1189544837.db2.gz HWTWMXDREQMTPX-CQSZACIVSA-N -1 1 349.479 2.426 20 0 EEADMM CN1c2ccccc2[C@@]2(CCN(C(=O)c3cccc([O-])c3F)C2)C1=O ZINC001272282744 1190739944 /nfs/dbraw/zinc/73/99/44/1190739944.db2.gz JPHNOEGGONOSGD-IBGZPJMESA-N -1 1 340.354 2.292 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)CC2CCC2)CN1C(=O)c1ncccc1[O-] ZINC001018057958 1224269171 /nfs/dbraw/zinc/26/91/71/1224269171.db2.gz NSHZNDISMUWEJE-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033814515 1195326087 /nfs/dbraw/zinc/32/60/87/1195326087.db2.gz SYGORRBZIVUVHQ-CYBMUJFWSA-N -1 1 346.456 2.023 20 0 EEADMM O=C(NC[C@@H]1CCCCCN1C(=O)C1=CCCC1)c1ncccc1[O-] ZINC001005404782 1195384290 /nfs/dbraw/zinc/38/42/90/1195384290.db2.gz JAVWRUGJZMCVQG-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(-c3csnn3)cc2)n1 ZINC001128847085 1195822052 /nfs/dbraw/zinc/82/20/52/1195822052.db2.gz MRZKORGKJXDWKS-UHFFFAOYSA-N -1 1 343.368 2.357 20 0 EEADMM Cc1nc(Br)ccc1Nc1c(N)[nH]c(=S)[n-]c1=O ZINC001212563235 1196725279 /nfs/dbraw/zinc/72/52/79/1196725279.db2.gz KSKGHZZSMKMODE-UHFFFAOYSA-N -1 1 328.195 2.263 20 0 EEADMM O=C1CCCc2cc(Cl)c(S(=O)(=O)[N-]CC(F)F)cc2N1 ZINC000872004459 1198019497 /nfs/dbraw/zinc/01/94/97/1198019497.db2.gz HTMXXPDQKSNOGI-UHFFFAOYSA-N -1 1 338.763 2.158 20 0 EEADMM COc1cccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c1F ZINC000872364138 1198157732 /nfs/dbraw/zinc/15/77/32/1198157732.db2.gz DMVPOCSVWWFJRR-UHFFFAOYSA-N -1 1 339.392 2.247 20 0 EEADMM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cccc(Br)n1 ZINC000872462949 1198195635 /nfs/dbraw/zinc/19/56/35/1198195635.db2.gz JMEXDIGUQNLMQQ-ZETCQYMHSA-N -1 1 341.177 2.310 20 0 EEADMM Cc1cc(NC(=O)Cc2sc(N)nc2[O-])ccc1Br ZINC000120783271 1198406744 /nfs/dbraw/zinc/40/67/44/1198406744.db2.gz LSWYFMLZGKUOAE-SECBINFHSA-N -1 1 342.218 2.043 20 0 EEADMM C[C@H]1[C@H](NC(=O)CC2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC001011671471 1224501385 /nfs/dbraw/zinc/50/13/85/1224501385.db2.gz HRDSJPPRFBECSR-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001411119002 1198818275 /nfs/dbraw/zinc/81/82/75/1198818275.db2.gz SHGCRGSSKYFEIV-LIRRHRJNSA-N -1 1 347.459 2.438 20 0 EEADMM CCC[C@H](CCCS(C)(=O)=O)C(=O)[N-]Oc1ccccc1F ZINC000874910666 1199069134 /nfs/dbraw/zinc/06/91/34/1199069134.db2.gz XGYSQYSQYBUBBZ-GFCCVEGCSA-N -1 1 331.409 2.477 20 0 EEADMM CO[C@]1(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)CCOC1 ZINC000877570061 1199968742 /nfs/dbraw/zinc/96/87/42/1199968742.db2.gz FQWBKXANSVIBTG-HNNXBMFYSA-N -1 1 346.349 2.391 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1[O-] ZINC000870381048 1200645960 /nfs/dbraw/zinc/64/59/60/1200645960.db2.gz FIUKDABYMZIQSH-RYUDHWBXSA-N -1 1 336.363 2.365 20 0 EEADMM CC1(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])COC1 ZINC000870664726 1200800234 /nfs/dbraw/zinc/80/02/34/1200800234.db2.gz WGDVEVFNOUVOEN-UHFFFAOYSA-N -1 1 348.277 2.022 20 0 EEADMM CC(C)(C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(F)cc1F ZINC000879262633 1200964632 /nfs/dbraw/zinc/96/46/32/1200964632.db2.gz HOPBASOIZQTAMR-SNVBAGLBSA-N -1 1 335.358 2.162 20 0 EEADMM COc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)nn1 ZINC000879447750 1201070615 /nfs/dbraw/zinc/07/06/15/1201070615.db2.gz RTTUYTCJOASULV-UHFFFAOYSA-N -1 1 348.834 2.162 20 0 EEADMM CC(=O)Oc1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000879763111 1201246341 /nfs/dbraw/zinc/24/63/41/1201246341.db2.gz HYUGADOVXBWJQP-HNNXBMFYSA-N -1 1 344.333 2.255 20 0 EEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](OC2CCC2)CC1 ZINC000866130371 1201442245 /nfs/dbraw/zinc/44/22/45/1201442245.db2.gz RAJWRCJRPNPSKI-AWEZNQCLSA-N -1 1 341.411 2.487 20 0 EEADMM COc1ccccc1C(C)(C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866730569 1201591401 /nfs/dbraw/zinc/59/14/01/1201591401.db2.gz ADNSGIGCGQPKLA-UHFFFAOYSA-N -1 1 346.474 2.027 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000866818234 1201612152 /nfs/dbraw/zinc/61/21/52/1201612152.db2.gz UMZRJEGNAPWERN-HNNXBMFYSA-N -1 1 344.502 2.350 20 0 EEADMM O=CNc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000121602590 1201615286 /nfs/dbraw/zinc/61/52/86/1201615286.db2.gz GYUDVLVKUQZNOI-UHFFFAOYSA-N -1 1 336.145 2.370 20 0 EEADMM COCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881848869 1201773462 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EEADMM Cc1ccc(N[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001049895512 1242578394 /nfs/dbraw/zinc/57/83/94/1242578394.db2.gz ZVTDIGZLXZPEQF-AWEZNQCLSA-N -1 1 341.415 2.383 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050530842 1243792552 /nfs/dbraw/zinc/79/25/52/1243792552.db2.gz PXBCKVBPTWWYCP-KBPBESRZSA-N -1 1 347.459 2.436 20 0 EEADMM CC(C)c1nccc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057623261 1244468093 /nfs/dbraw/zinc/46/80/93/1244468093.db2.gz JMOHUPQMBPMYFL-CYBMUJFWSA-N -1 1 341.415 2.417 20 0 EEADMM O=C(NCCN(c1ncnc2ccccc21)C1CC1)c1ncccc1[O-] ZINC001101323570 1245658314 /nfs/dbraw/zinc/65/83/14/1245658314.db2.gz PCCQFHUZYHKLRB-UHFFFAOYSA-N -1 1 349.394 2.129 20 0 EEADMM Cc1nccc(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001053354643 1246225857 /nfs/dbraw/zinc/22/58/57/1246225857.db2.gz OGIPOGGFNIMCCG-TZMCWYRMSA-N -1 1 341.415 2.096 20 0 EEADMM CC(C)CCCC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001053494666 1246393606 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RUHKWFBMXMPKJZ-UHFFFAOYSA-N -1 1 343.408 2.045 20 0 EEADMM Cc1c[nH]c2nc(Cl)cc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c12 ZINC001159188858 1319669495 /nfs/dbraw/zinc/66/94/95/1319669495.db2.gz FKPKYNXDCMDRLF-UHFFFAOYSA-N -1 1 331.723 2.297 20 0 EEADMM O=c1nc2nc[nH]c2c(NC(F)(F)c2cc(Cl)ncc2F)[n-]1 ZINC001159198610 1319675109 /nfs/dbraw/zinc/67/51/09/1319675109.db2.gz TUPMJLDWMZPLDD-UHFFFAOYSA-N -1 1 330.657 2.407 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(N)=O)c2)cc1C ZINC001260637987 1319927962 /nfs/dbraw/zinc/92/79/62/1319927962.db2.gz CZMSIGLAEKXTPO-UHFFFAOYSA-N -1 1 338.360 2.042 20 0 EEADMM C[C@H]1CCc2nnc(N3CCC([N-]C(=O)C(F)(F)F)CC3)cc2C1 ZINC001166895300 1321811339 /nfs/dbraw/zinc/81/13/39/1321811339.db2.gz PWGMOPWTIYIPFF-JTQLQIEISA-N -1 1 342.365 2.249 20 0 EEADMM O=C([N-]C1CCN(c2nccc3ncsc32)CC1)C(F)(F)F ZINC001166894870 1321811366 /nfs/dbraw/zinc/81/13/66/1321811366.db2.gz WVJFNBCYHJAGRF-UHFFFAOYSA-N -1 1 330.335 2.339 20 0 EEADMM C[C@H](CSCCNCc1ccncc1Br)C(=O)[O-] ZINC001262163634 1322250195 /nfs/dbraw/zinc/25/01/95/1322250195.db2.gz ZZSPWFGRTKXFDM-SECBINFHSA-N -1 1 333.251 2.388 20 0 EEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(CO)cc3)ccc2o1 ZINC000390919054 1322820348 /nfs/dbraw/zinc/82/03/48/1322820348.db2.gz BFCDBXYDJUZOBT-UHFFFAOYSA-N -1 1 331.349 2.086 20 0 EEADMM O=C([O-])c1cc(-c2ccccc2C(=O)N2CCNCC2)cc(F)c1F ZINC001206051501 1323380179 /nfs/dbraw/zinc/38/01/79/1323380179.db2.gz LNUOKNSBUGHSCZ-UHFFFAOYSA-N -1 1 346.333 2.375 20 0 EEADMM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)cc1 ZINC001210102642 1325160079 /nfs/dbraw/zinc/16/00/79/1325160079.db2.gz QSSUUAFHRYUURR-UHFFFAOYSA-N -1 1 344.396 2.440 20 0 EEADMM COc1ncc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1C ZINC001210317455 1325240749 /nfs/dbraw/zinc/24/07/49/1325240749.db2.gz DBTDGYZNKXFCEQ-UHFFFAOYSA-N -1 1 337.357 2.114 20 0 EEADMM CC(C)n1cc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])nn1 ZINC001298512832 1330095202 /nfs/dbraw/zinc/09/52/02/1330095202.db2.gz CGFFYFQCNZIMQI-UHFFFAOYSA-N -1 1 326.356 2.353 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590407329 1349308869 /nfs/dbraw/zinc/30/88/69/1349308869.db2.gz ZQMROZUQPFRWDU-IUCAKERBSA-N -1 1 329.451 2.031 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590407329 1349308873 /nfs/dbraw/zinc/30/88/73/1349308873.db2.gz ZQMROZUQPFRWDU-IUCAKERBSA-N -1 1 329.451 2.031 20 0 EEADMM Cc1cc(CN2CCCC[C@H]2C2OCCO2)cc(C)c1OCC(=O)[O-] ZINC001600194163 1349989360 /nfs/dbraw/zinc/98/93/60/1349989360.db2.gz AWMPRCYNBZBPPC-INIZCTEOSA-N -1 1 349.427 2.494 20 0 EEADMM O=C(CN[C@@H](C[C@H]1CCCO1)C(=O)[O-])NCCCC1CCCCC1 ZINC001601325757 1350257515 /nfs/dbraw/zinc/25/75/15/1350257515.db2.gz QBWOCMSDTMDKSP-CVEARBPZSA-N -1 1 340.464 2.075 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c2ccccc12 ZINC001602373964 1350506108 /nfs/dbraw/zinc/50/61/08/1350506108.db2.gz XQTGPNJHDKZEIQ-CYBMUJFWSA-N -1 1 340.379 2.197 20 0 EEADMM CC(C)Cc1ccc(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001603308664 1350685456 /nfs/dbraw/zinc/68/54/56/1350685456.db2.gz PRUYZENRNGJITE-UHFFFAOYSA-N -1 1 339.403 2.360 20 0 EEADMM CC(C)Cc1ccc(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001603308664 1350685461 /nfs/dbraw/zinc/68/54/61/1350685461.db2.gz PRUYZENRNGJITE-UHFFFAOYSA-N -1 1 339.403 2.360 20 0 EEADMM COc1cccc(SCCOc2cccnc2-c2nnn[n-]2)c1 ZINC001605323200 1351136007 /nfs/dbraw/zinc/13/60/07/1351136007.db2.gz JFPMIJGXKRXHQW-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM COc1cccc(SCCOc2cccnc2-c2nn[n-]n2)c1 ZINC001605323200 1351136009 /nfs/dbraw/zinc/13/60/09/1351136009.db2.gz JFPMIJGXKRXHQW-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM O=C([O-])C[C@@H](NCc1nc(COc2ccc(F)cc2)no1)C1CC1 ZINC001608674030 1351739734 /nfs/dbraw/zinc/73/97/34/1351739734.db2.gz KYGSXHCUYVKTMJ-CYBMUJFWSA-N -1 1 335.335 2.131 20 0 EEADMM O=C([O-])c1ccnc(Nc2cccc(CN3CCSCC3)c2)n1 ZINC001608954925 1351802719 /nfs/dbraw/zinc/80/27/19/1351802719.db2.gz WIZVTBWWPNHWRE-UHFFFAOYSA-N -1 1 330.413 2.467 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609075518 1351831939 /nfs/dbraw/zinc/83/19/39/1351831939.db2.gz ZVKXCYMJCMOHLY-GWCFXTLKSA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(C)Oc1cccc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609080109 1351833588 /nfs/dbraw/zinc/83/35/88/1351833588.db2.gz LWBXNVZRVRSUGM-UHFFFAOYSA-N -1 1 326.360 2.413 20 0 EEADMM CC(C)(C)Oc1cccc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609080109 1351833592 /nfs/dbraw/zinc/83/35/92/1351833592.db2.gz LWBXNVZRVRSUGM-UHFFFAOYSA-N -1 1 326.360 2.413 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001609080943 1351833927 /nfs/dbraw/zinc/83/39/27/1351833927.db2.gz JAIVWURXZCMUHR-CQSZACIVSA-N -1 1 339.403 2.100 20 0 EEADMM Nc1cn[n-]c(=NNC(=S)N[C@H]2CCc3ccccc3C2)c1Cl ZINC001322617113 1333294829 /nfs/dbraw/zinc/29/48/29/1333294829.db2.gz BRYQHUHXTVBJDV-NSHDSACASA-N -1 1 348.863 2.061 20 0 EEADMM CC(C)c1ocnc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001609107347 1351845415 /nfs/dbraw/zinc/84/54/15/1351845415.db2.gz IGMMBPDNDFOWEM-UHFFFAOYSA-N -1 1 340.387 2.067 20 0 EEADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC001609126800 1351852922 /nfs/dbraw/zinc/85/29/22/1351852922.db2.gz JXKSHYGXBWYDIN-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCc2ccccc2C1 ZINC001609142625 1351859735 /nfs/dbraw/zinc/85/97/35/1351859735.db2.gz GKYYAVMGGXMXMZ-GOSISDBHSA-N -1 1 334.383 2.395 20 0 EEADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCc2ccccc2C1 ZINC001609142625 1351859736 /nfs/dbraw/zinc/85/97/36/1351859736.db2.gz GKYYAVMGGXMXMZ-GOSISDBHSA-N -1 1 334.383 2.395 20 0 EEADMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)C1(C)C ZINC001324858728 1333774976 /nfs/dbraw/zinc/77/49/76/1333774976.db2.gz HYFIBWXVNMDHRJ-VHSXEESVSA-N -1 1 339.244 2.480 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609165416 1351872000 /nfs/dbraw/zinc/87/20/00/1351872000.db2.gz MLFKOKXGYLSLEL-SMDDNHRTSA-N -1 1 347.394 2.331 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609165416 1351872004 /nfs/dbraw/zinc/87/20/04/1351872004.db2.gz MLFKOKXGYLSLEL-SMDDNHRTSA-N -1 1 347.394 2.331 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609178975 1351878963 /nfs/dbraw/zinc/87/89/63/1351878963.db2.gz ISPQPGBGJVZSAO-VFZGTOFNSA-N -1 1 339.330 2.258 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609178975 1351878967 /nfs/dbraw/zinc/87/89/67/1351878967.db2.gz ISPQPGBGJVZSAO-VFZGTOFNSA-N -1 1 339.330 2.258 20 0 EEADMM CCOCc1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001609241405 1351905825 /nfs/dbraw/zinc/90/58/25/1351905825.db2.gz UWWHUYODEAXBFE-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM CCc1ccc(OC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)c(OC)c1 ZINC001609252684 1351909878 /nfs/dbraw/zinc/90/98/78/1351909878.db2.gz OAXGAVFXOIDPKO-UHFFFAOYSA-N -1 1 340.339 2.363 20 0 EEADMM COCC(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609316125 1351930457 /nfs/dbraw/zinc/93/04/57/1351930457.db2.gz GQCPUOFYRRKOMG-UHFFFAOYSA-N -1 1 330.314 2.365 20 0 EEADMM COCC(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609316125 1351930459 /nfs/dbraw/zinc/93/04/59/1351930459.db2.gz GQCPUOFYRRKOMG-UHFFFAOYSA-N -1 1 330.314 2.365 20 0 EEADMM CSc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609373077 1351950355 /nfs/dbraw/zinc/95/03/55/1351950355.db2.gz UUPFCBJNHDFWLL-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609373077 1351950357 /nfs/dbraw/zinc/95/03/57/1351950357.db2.gz UUPFCBJNHDFWLL-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCOc2cccc(Cl)c2)c1 ZINC001609386586 1351955070 /nfs/dbraw/zinc/95/50/70/1351955070.db2.gz PMWCRGOEARBXMG-UHFFFAOYSA-N -1 1 345.790 2.459 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)COc2c(C)cccc2C)n1 ZINC001609392378 1351957812 /nfs/dbraw/zinc/95/78/12/1351957812.db2.gz NYXFVENJFDURDC-CYBMUJFWSA-N -1 1 339.403 2.461 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)COc2c(C)cccc2C)n1 ZINC001609392378 1351957817 /nfs/dbraw/zinc/95/78/17/1351957817.db2.gz NYXFVENJFDURDC-CYBMUJFWSA-N -1 1 339.403 2.461 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC001609392633 1351958030 /nfs/dbraw/zinc/95/80/30/1351958030.db2.gz XUOQDQPYSQXZDG-LSDHHAIUSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC001609392633 1351958032 /nfs/dbraw/zinc/95/80/32/1351958032.db2.gz XUOQDQPYSQXZDG-LSDHHAIUSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1cc(Nc2nccnc2-c2nnn[n-]2)nn1C1CCCCC1 ZINC001609410426 1351965533 /nfs/dbraw/zinc/96/55/33/1351965533.db2.gz WIFOLUAKMZCHKY-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1cc(Nc2nccnc2-c2nn[n-]n2)nn1C1CCCCC1 ZINC001609410426 1351965535 /nfs/dbraw/zinc/96/55/35/1351965535.db2.gz WIFOLUAKMZCHKY-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1ccc(NCc2ccc(C[S@@](C)=O)cc2)nc1-c1nnn[n-]1 ZINC001609426267 1351972249 /nfs/dbraw/zinc/97/22/49/1351972249.db2.gz KWIQMWQYOCRRBW-XMMPIXPASA-N -1 1 342.428 2.061 20 0 EEADMM Cc1ccc(NCc2ccc(C[S@@](C)=O)cc2)nc1-c1nn[n-]n1 ZINC001609426267 1351972251 /nfs/dbraw/zinc/97/22/51/1351972251.db2.gz KWIQMWQYOCRRBW-XMMPIXPASA-N -1 1 342.428 2.061 20 0 EEADMM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001609449923 1351982386 /nfs/dbraw/zinc/98/23/86/1351982386.db2.gz NTRMRLQLORHHBT-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001609449923 1351982387 /nfs/dbraw/zinc/98/23/87/1351982387.db2.gz NTRMRLQLORHHBT-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609442019 1351979377 /nfs/dbraw/zinc/97/93/77/1351979377.db2.gz YENDQOSPIIMBPH-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609442019 1351979381 /nfs/dbraw/zinc/97/93/81/1351979381.db2.gz YENDQOSPIIMBPH-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H](OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC001609444288 1351980075 /nfs/dbraw/zinc/98/00/75/1351980075.db2.gz UDXDZYGRTVSMQT-ZDUSSCGKSA-N -1 1 341.375 2.003 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC001609465308 1351988003 /nfs/dbraw/zinc/98/80/03/1351988003.db2.gz PVSJBCXUGFAPRF-SECBINFHSA-N -1 1 345.388 2.246 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC001609465308 1351988005 /nfs/dbraw/zinc/98/80/05/1351988005.db2.gz PVSJBCXUGFAPRF-SECBINFHSA-N -1 1 345.388 2.246 20 0 EEADMM Cc1nsc(Nc2cccc(C[S@](C)=O)c2)c1-c1nn[n-]n1 ZINC001609466357 1351988030 /nfs/dbraw/zinc/98/80/30/1351988030.db2.gz PXKYSTJXOFEYBG-QFIPXVFZSA-N -1 1 334.430 2.254 20 0 EEADMM Clc1ccc(C2(CNc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001609472433 1351990331 /nfs/dbraw/zinc/99/03/31/1351990331.db2.gz HDLQTKOJTWCTGZ-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc(C2(CNc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001609472433 1351990335 /nfs/dbraw/zinc/99/03/35/1351990335.db2.gz HDLQTKOJTWCTGZ-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM O=C(Cc1ccc(F)cc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609536369 1352009136 /nfs/dbraw/zinc/00/91/36/1352009136.db2.gz SUJDUMFTHKDOIQ-UHFFFAOYSA-N -1 1 338.755 2.297 20 0 EEADMM CCc1cc2c(Cn3cc(CCCOC)nn3)cc(=O)oc2cc1[O-] ZINC001331875272 1335662601 /nfs/dbraw/zinc/66/26/01/1335662601.db2.gz SXFZLSXOYSEKFU-UHFFFAOYSA-N -1 1 343.383 2.280 20 0 EEADMM O=C(Nc1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)n1 ZINC001609560878 1352016463 /nfs/dbraw/zinc/01/64/63/1352016463.db2.gz POPHYJGONUZFLZ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)n1 ZINC001609560878 1352016466 /nfs/dbraw/zinc/01/64/66/1352016466.db2.gz POPHYJGONUZFLZ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609564295 1352017472 /nfs/dbraw/zinc/01/74/72/1352017472.db2.gz SXDQLEQQZNJLTD-NSHDSACASA-N -1 1 325.328 2.216 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cccc(F)c2C1 ZINC001609582783 1352026518 /nfs/dbraw/zinc/02/65/18/1352026518.db2.gz HEVUZCRKQMXCKA-UHFFFAOYSA-N -1 1 341.321 2.343 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cccc(F)c2C1 ZINC001609582783 1352026522 /nfs/dbraw/zinc/02/65/22/1352026522.db2.gz HEVUZCRKQMXCKA-UHFFFAOYSA-N -1 1 341.321 2.343 20 0 EEADMM CC(=O)c1ccccc1OCCN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001609630531 1352045962 /nfs/dbraw/zinc/04/59/62/1352045962.db2.gz PNORQTHREUJNSQ-BGIURUKPSA-N -1 1 347.411 2.363 20 0 EEADMM C[C@H](C(=O)NC1CCCCC1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001609634446 1352046837 /nfs/dbraw/zinc/04/68/37/1352046837.db2.gz FHZPBBKDQOGTBH-YGRLFVJLSA-N -1 1 336.354 2.163 20 0 EEADMM CC(C)=CCC[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609682213 1352057880 /nfs/dbraw/zinc/05/78/80/1352057880.db2.gz VUYKSFIBEYMPPQ-LSDHHAIUSA-N -1 1 325.453 2.312 20 0 EEADMM CC(C)Oc1c(NC(=O)NCCN2CC=CC2)cccc1C(=O)[O-] ZINC001609711954 1352065905 /nfs/dbraw/zinc/06/59/05/1352065905.db2.gz KDRDTEWOGMTDSF-UHFFFAOYSA-N -1 1 333.388 2.165 20 0 EEADMM CC(C)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)c(C(=O)[O-])c1 ZINC001609720288 1352068108 /nfs/dbraw/zinc/06/81/08/1352068108.db2.gz ZPPJGUIMNZUEQH-UHFFFAOYSA-N -1 1 349.412 2.452 20 0 EEADMM C[C@H](CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)S(C)(=O)=O ZINC001609749474 1352075595 /nfs/dbraw/zinc/07/55/95/1352075595.db2.gz ZIOLCKYEBXZCCJ-LLVKDONJSA-N -1 1 337.397 2.168 20 0 EEADMM CC(C)[C@H](NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC001609772479 1352081446 /nfs/dbraw/zinc/08/14/46/1352081446.db2.gz KFZBHHCNXBRNOE-HZMBPMFUSA-N -1 1 344.358 2.164 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001347761569 1337520649 /nfs/dbraw/zinc/52/06/49/1337520649.db2.gz FTSKBSALFWVREH-UHFFFAOYSA-N -1 1 329.360 2.221 20 0 EEADMM CCN1C(=O)N=NC1S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001610085445 1352159261 /nfs/dbraw/zinc/15/92/61/1352159261.db2.gz CNJJHKZKCSFDKA-JTQLQIEISA-N -1 1 327.793 2.445 20 0 EEADMM Cc1ccccc1-c1nc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cs1 ZINC001352596524 1337993167 /nfs/dbraw/zinc/99/31/67/1337993167.db2.gz QFLHUONWOVPVQV-LLVKDONJSA-N -1 1 340.412 2.261 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2cc(C)cc(CO)c2)ccc1F ZINC001200560290 1338417791 /nfs/dbraw/zinc/41/77/91/1338417791.db2.gz VYEMYMCDVQTEJX-UHFFFAOYSA-N -1 1 325.361 2.436 20 0 EEADMM CO[C@H]1c2ccccc2C[C@H]1NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001610276467 1352198441 /nfs/dbraw/zinc/19/84/41/1352198441.db2.gz OVQWTBANJYJTHC-KDOFPFPSSA-N -1 1 342.395 2.414 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc2c(cccc2F)o1 ZINC001100515177 1338463387 /nfs/dbraw/zinc/46/33/87/1338463387.db2.gz FOLQKSQXXZAYKS-UHFFFAOYSA-N -1 1 344.346 2.324 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC[C@](C)(C(=O)[O-])C3)o2)cc1 ZINC001610310090 1352203475 /nfs/dbraw/zinc/20/34/75/1352203475.db2.gz BWZJFSAZBRTRGL-KRWDZBQOSA-N -1 1 331.372 2.432 20 0 EEADMM CSc1ccncc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610388229 1352214900 /nfs/dbraw/zinc/21/49/00/1352214900.db2.gz FLRWUAWBWRZMKH-UHFFFAOYSA-N -1 1 338.410 2.231 20 0 EEADMM Cc1[nH]c(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001610402315 1352217086 /nfs/dbraw/zinc/21/70/86/1352217086.db2.gz QETLTOIILKGGFU-XQQFMLRXSA-N -1 1 348.399 2.230 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C)(CO)CC1 ZINC001610487048 1352231174 /nfs/dbraw/zinc/23/11/74/1352231174.db2.gz PSNFMUQXBPTFEI-ZDUSSCGKSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001610486313 1352231255 /nfs/dbraw/zinc/23/12/55/1352231255.db2.gz FGDXQKYORUDPGF-UHFFFAOYSA-N -1 1 332.278 2.089 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2ccoc2CC(=O)[O-])N2CCCC2)o1 ZINC001610492834 1352232501 /nfs/dbraw/zinc/23/25/01/1352232501.db2.gz FVLHPKBZWASJID-CQSZACIVSA-N -1 1 346.383 2.375 20 0 EEADMM CCc1ccc(C(=O)N[C@H](CC)CNC(=O)c2ncccc2[O-])s1 ZINC001416209820 1339116198 /nfs/dbraw/zinc/11/61/98/1339116198.db2.gz QDIJHIFRLOBJSZ-LLVKDONJSA-N -1 1 347.440 2.350 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NCC(=O)NCc1ccccc1 ZINC001610666694 1352258994 /nfs/dbraw/zinc/25/89/94/1352258994.db2.gz CBBYAVMZCOHITO-MRXNPFEDSA-N -1 1 346.814 2.242 20 0 EEADMM Cc1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F ZINC001649986806 1353676535 /nfs/dbraw/zinc/67/65/35/1353676535.db2.gz IJSJEYLOHIOHDM-VIFPVBQESA-N -1 1 331.743 2.240 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC001610805088 1352277873 /nfs/dbraw/zinc/27/78/73/1352277873.db2.gz CXPOSGMAQOERPX-WKILWMFISA-N -1 1 345.443 2.053 20 0 EEADMM CCN(CCNC(=O)[C@@H](C)c1cccs1)C(=O)c1ncccc1[O-] ZINC001431714525 1340698475 /nfs/dbraw/zinc/69/84/75/1340698475.db2.gz YWTOMIXPCJNUBA-LBPRGKRZSA-N -1 1 347.440 2.231 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CCc2c(F)cccc2F)CC1 ZINC001433419787 1341591822 /nfs/dbraw/zinc/59/18/22/1341591822.db2.gz CXXFHFXOJLUKBW-UHFFFAOYSA-N -1 1 347.365 2.066 20 0 EEADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cccc([O-])c1F ZINC001433617474 1341639357 /nfs/dbraw/zinc/63/93/57/1341639357.db2.gz SSOFJLLVAPCEIR-UHFFFAOYSA-N -1 1 344.342 2.256 20 0 EEADMM Cc1cccc(NC(=O)C2=C([O-])C(C)N=N2)c1C(=O)N1CCCC1 ZINC001433617839 1341639385 /nfs/dbraw/zinc/63/93/85/1341639385.db2.gz VMJZHRVMECJIMC-UHFFFAOYSA-N -1 1 328.372 2.220 20 0 EEADMM CC1(CNS(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)CC1 ZINC001575794079 1343886213 /nfs/dbraw/zinc/88/62/13/1343886213.db2.gz XIUWWYNKDAKOJM-UHFFFAOYSA-N -1 1 349.441 2.160 20 0 EEADMM CCC(C)(C)C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001576515413 1344024681 /nfs/dbraw/zinc/02/46/81/1344024681.db2.gz IFKJDYYWXQLEFE-UHFFFAOYSA-N -1 1 325.376 2.131 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001579993225 1344445365 /nfs/dbraw/zinc/44/53/65/1344445365.db2.gz WLPJAVGEPKGLAQ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001579993225 1344445367 /nfs/dbraw/zinc/44/53/67/1344445367.db2.gz WLPJAVGEPKGLAQ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccc(NC(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001580039879 1344455091 /nfs/dbraw/zinc/45/50/91/1344455091.db2.gz GDHUBWUIKCHQQG-UHFFFAOYSA-N -1 1 331.361 2.284 20 0 EEADMM COc1ccc(NC(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001580039879 1344455095 /nfs/dbraw/zinc/45/50/95/1344455095.db2.gz GDHUBWUIKCHQQG-UHFFFAOYSA-N -1 1 331.361 2.284 20 0 EEADMM C[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC001580456682 1344523162 /nfs/dbraw/zinc/52/31/62/1344523162.db2.gz MTARWSRCCMXICU-KDOFPFPSSA-N -1 1 334.383 2.072 20 0 EEADMM C[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1c1ccccc1 ZINC001580456682 1344523165 /nfs/dbraw/zinc/52/31/65/1344523165.db2.gz MTARWSRCCMXICU-KDOFPFPSSA-N -1 1 334.383 2.072 20 0 EEADMM Cc1cc(F)cc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001580937977 1344574364 /nfs/dbraw/zinc/57/43/64/1344574364.db2.gz QBHCUQVWICLKJI-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1cc(F)cc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001580937977 1344574370 /nfs/dbraw/zinc/57/43/70/1344574370.db2.gz QBHCUQVWICLKJI-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM O=C(NCC12CCC(CC1)C2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582414925 1344750723 /nfs/dbraw/zinc/75/07/23/1344750723.db2.gz ZZLLHDWUHVASHV-UHFFFAOYSA-N -1 1 332.795 2.225 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cscc1C(F)F ZINC001582560918 1344763760 /nfs/dbraw/zinc/76/37/60/1344763760.db2.gz LOXSKSSYWGQPJU-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cscc1C(F)F ZINC001582560918 1344763763 /nfs/dbraw/zinc/76/37/63/1344763763.db2.gz LOXSKSSYWGQPJU-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588773309 1348935601 /nfs/dbraw/zinc/93/56/01/1348935601.db2.gz WAZMGXKFSWXWOK-TWGQIWQCSA-N -1 1 340.391 2.317 20 0 EEADMM CC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001588920994 1348948479 /nfs/dbraw/zinc/94/84/79/1348948479.db2.gz HUDKHQFLHNDDJX-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589092114 1348957363 /nfs/dbraw/zinc/95/73/63/1348957363.db2.gz AUULWZZTTRPHOX-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589092114 1348957365 /nfs/dbraw/zinc/95/73/65/1348957365.db2.gz AUULWZZTTRPHOX-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(C)[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001589096940 1348958449 /nfs/dbraw/zinc/95/84/49/1348958449.db2.gz WUPKEJYCAGSQNB-CYBMUJFWSA-N -1 1 327.367 2.417 20 0 EEADMM CC(C)(C)[S@](C)(=O)=NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589208970 1348970692 /nfs/dbraw/zinc/97/06/92/1348970692.db2.gz LDXBQCROSCPKTH-QHCPKHFHSA-N -1 1 343.359 2.181 20 0 EEADMM CC(C)(C)[S@](C)(=O)=NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589208970 1348970693 /nfs/dbraw/zinc/97/06/93/1348970693.db2.gz LDXBQCROSCPKTH-QHCPKHFHSA-N -1 1 343.359 2.181 20 0 EEADMM CC(C)(CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001589270331 1348976678 /nfs/dbraw/zinc/97/66/78/1348976678.db2.gz DGFPHCRPJFVGOK-UHFFFAOYSA-N -1 1 342.428 2.307 20 0 EEADMM CC(C)(CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001589270331 1348976681 /nfs/dbraw/zinc/97/66/81/1348976681.db2.gz DGFPHCRPJFVGOK-UHFFFAOYSA-N -1 1 342.428 2.307 20 0 EEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589436941 1348990071 /nfs/dbraw/zinc/99/00/71/1348990071.db2.gz MUTKGUCPTDOTAZ-SECBINFHSA-N -1 1 341.462 2.126 20 0 EEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589436941 1348990075 /nfs/dbraw/zinc/99/00/75/1348990075.db2.gz MUTKGUCPTDOTAZ-SECBINFHSA-N -1 1 341.462 2.126 20 0 EEADMM C[C@H](CC(=O)OCc1nc(-c2nnn[n-]2)cs1)c1ccc(N)cc1 ZINC001589796205 1349046095 /nfs/dbraw/zinc/04/60/95/1349046095.db2.gz RQOVRCKOUDQDPV-SECBINFHSA-N -1 1 344.400 2.142 20 0 EEADMM C[C@H](CC(=O)OCc1nc(-c2nn[n-]n2)cs1)c1ccc(N)cc1 ZINC001589796205 1349046097 /nfs/dbraw/zinc/04/60/97/1349046097.db2.gz RQOVRCKOUDQDPV-SECBINFHSA-N -1 1 344.400 2.142 20 0 EEADMM C[C@H](CC(F)(F)F)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589799268 1349046297 /nfs/dbraw/zinc/04/62/97/1349046297.db2.gz RYRLIPLCYJBOTL-RXMQYKEDSA-N -1 1 335.236 2.216 20 0 EEADMM C[C@H](CC(F)(F)F)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589799268 1349046302 /nfs/dbraw/zinc/04/63/02/1349046302.db2.gz RYRLIPLCYJBOTL-RXMQYKEDSA-N -1 1 335.236 2.216 20 0 EEADMM C[C@H](CCCC(F)(F)F)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589804239 1349048483 /nfs/dbraw/zinc/04/84/83/1349048483.db2.gz FRISRSKCXJSDDT-SECBINFHSA-N -1 1 343.309 2.469 20 0 EEADMM C[C@H](CCCC(F)(F)F)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589804239 1349048488 /nfs/dbraw/zinc/04/84/88/1349048488.db2.gz FRISRSKCXJSDDT-SECBINFHSA-N -1 1 343.309 2.469 20 0 EEADMM C[C@H](SCc1nc(-c2nnn[n-]2)cs1)C(=O)NC1CCCC1 ZINC001590033462 1349118378 /nfs/dbraw/zinc/11/83/78/1349118378.db2.gz MMIWEXPTRHNJHO-QMMMGPOBSA-N -1 1 338.462 2.004 20 0 EEADMM C[C@H](SCc1nc(-c2nn[n-]n2)cs1)C(=O)NC1CCCC1 ZINC001590033462 1349118382 /nfs/dbraw/zinc/11/83/82/1349118382.db2.gz MMIWEXPTRHNJHO-QMMMGPOBSA-N -1 1 338.462 2.004 20 0 EEADMM CC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)[C@@H]1c1cccnc1 ZINC001590107442 1349158569 /nfs/dbraw/zinc/15/85/69/1349158569.db2.gz YELUDMKQJPJVOF-CYBMUJFWSA-N -1 1 327.417 2.301 20 0 EEADMM CC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)[C@@H]1c1cccnc1 ZINC001590107442 1349158572 /nfs/dbraw/zinc/15/85/72/1349158572.db2.gz YELUDMKQJPJVOF-CYBMUJFWSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@]1(CNc2cc(Br)cnc2-c2nnn[n-]2)CC1(F)F ZINC001590134419 1349171526 /nfs/dbraw/zinc/17/15/26/1349171526.db2.gz ZIKIMWYMOFBJPL-SNVBAGLBSA-N -1 1 345.151 2.481 20 0 EEADMM C[C@]1(CNc2cc(Br)cnc2-c2nn[n-]n2)CC1(F)F ZINC001590134419 1349171531 /nfs/dbraw/zinc/17/15/31/1349171531.db2.gz ZIKIMWYMOFBJPL-SNVBAGLBSA-N -1 1 345.151 2.481 20 0 EEADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590152234 1349175105 /nfs/dbraw/zinc/17/51/05/1349175105.db2.gz SYYVDNLDKALBHQ-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590152234 1349175113 /nfs/dbraw/zinc/17/51/13/1349175113.db2.gz SYYVDNLDKALBHQ-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590199595 1349198522 /nfs/dbraw/zinc/19/85/22/1349198522.db2.gz GIOGYPJAFUKUQB-JGPRNRPPSA-N -1 1 340.387 2.034 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590226221 1349210573 /nfs/dbraw/zinc/21/05/73/1349210573.db2.gz MQDAWQBAPDBGLE-NWDGAFQWSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590226221 1349210579 /nfs/dbraw/zinc/21/05/79/1349210579.db2.gz MQDAWQBAPDBGLE-NWDGAFQWSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cccc(-c4nnn[n-]4)n3)C2)C1 ZINC001590242233 1349221054 /nfs/dbraw/zinc/22/10/54/1349221054.db2.gz UQUFPLBBUSIONZ-BZNIZROVSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cccc(-c4nn[n-]n4)n3)C2)C1 ZINC001590242233 1349221059 /nfs/dbraw/zinc/22/10/59/1349221059.db2.gz UQUFPLBBUSIONZ-BZNIZROVSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001590242776 1349222236 /nfs/dbraw/zinc/22/22/36/1349222236.db2.gz HQJDWAJIJZXXID-NEPJUHHUSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001590242776 1349222243 /nfs/dbraw/zinc/22/22/43/1349222243.db2.gz HQJDWAJIJZXXID-NEPJUHHUSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590335197 1349272210 /nfs/dbraw/zinc/27/22/10/1349272210.db2.gz DTWKFEQSMNRESU-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590335197 1349272218 /nfs/dbraw/zinc/27/22/18/1349272218.db2.gz DTWKFEQSMNRESU-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM CC/C(C)=C\C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590385699 1349298545 /nfs/dbraw/zinc/29/85/45/1349298545.db2.gz SADFDYCSMCRRAB-UJICNMFASA-N -1 1 349.464 2.247 20 0 EEADMM CC[C@@H](C)c1ncc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001590417610 1349314214 /nfs/dbraw/zinc/31/42/14/1349314214.db2.gz KYPDGQHRYDZQAB-MRVPVSSYSA-N -1 1 329.389 2.484 20 0 EEADMM CC[C@@H](C[C@@H](C)O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(C)cc21 ZINC001590421191 1349318085 /nfs/dbraw/zinc/31/80/85/1349318085.db2.gz HHUBRVBFBWAABX-NEPJUHHUSA-N -1 1 326.404 2.107 20 0 EEADMM CCC(O)(CC)CN(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590473630 1349347507 /nfs/dbraw/zinc/34/75/07/1349347507.db2.gz PCXUMHYLUNEVGM-UHFFFAOYSA-N -1 1 326.404 2.402 20 0 EEADMM CCC(O)(CC)CN(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590473630 1349347514 /nfs/dbraw/zinc/34/75/14/1349347514.db2.gz PCXUMHYLUNEVGM-UHFFFAOYSA-N -1 1 326.404 2.402 20 0 EEADMM CC[C@H]1C[C@@H](CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCO1 ZINC001590503157 1349357828 /nfs/dbraw/zinc/35/78/28/1349357828.db2.gz IHPWXTCSAVFRRQ-ONGXEEELSA-N -1 1 345.407 2.001 20 0 EEADMM CCc1nc(NC[C@@H]2CCC3(CCCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001590917947 1349412424 /nfs/dbraw/zinc/41/24/24/1349412424.db2.gz HIRUGQMMOWYKEU-NSHDSACASA-N -1 1 329.408 2.123 20 0 EEADMM CCc1nc(NC[C@@H]2CCC3(CCCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001590917947 1349412425 /nfs/dbraw/zinc/41/24/25/1349412425.db2.gz HIRUGQMMOWYKEU-NSHDSACASA-N -1 1 329.408 2.123 20 0 EEADMM COC(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591270182 1349454245 /nfs/dbraw/zinc/45/42/45/1349454245.db2.gz XHKNGLPWSLUTRH-UHFFFAOYSA-N -1 1 329.385 2.256 20 0 EEADMM Cc1cc(N[C@H](C)c2cccc(-n3cccn3)c2)cc(-c2nnn[n-]2)n1 ZINC001592035130 1349586153 /nfs/dbraw/zinc/58/61/53/1349586153.db2.gz RZCPFFBEMFVQGY-CYBMUJFWSA-N -1 1 346.398 2.351 20 0 EEADMM Cc1cc(N[C@H](C)c2cccc(-n3cccn3)c2)cc(-c2nn[n-]n2)n1 ZINC001592035130 1349586155 /nfs/dbraw/zinc/58/61/55/1349586155.db2.gz RZCPFFBEMFVQGY-CYBMUJFWSA-N -1 1 346.398 2.351 20 0 EEADMM Cc1cc2cc(CNC(=O)Nc3cccc(-c4nnn[n-]4)n3)ccc2[nH]1 ZINC001592071404 1349588979 /nfs/dbraw/zinc/58/89/79/1349588979.db2.gz UCWZIQRFLUWWAI-UHFFFAOYSA-N -1 1 348.370 2.373 20 0 EEADMM Cc1cc2cc(CNC(=O)Nc3cccc(-c4nn[n-]n4)n3)ccc2[nH]1 ZINC001592071404 1349588982 /nfs/dbraw/zinc/58/89/82/1349588982.db2.gz UCWZIQRFLUWWAI-UHFFFAOYSA-N -1 1 348.370 2.373 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N=[S@](C)(=O)c1ccc(C)cc1 ZINC001592195685 1349602912 /nfs/dbraw/zinc/60/29/12/1349602912.db2.gz MQNQFOSIVZWYAD-XMMPIXPASA-N -1 1 345.384 2.374 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N=[S@](C)(=O)c1ccc(C)cc1 ZINC001592195685 1349602919 /nfs/dbraw/zinc/60/29/19/1349602919.db2.gz MQNQFOSIVZWYAD-XMMPIXPASA-N -1 1 345.384 2.374 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3cc(C)ccc3o2)nn1C ZINC001592212793 1349611140 /nfs/dbraw/zinc/61/11/40/1349611140.db2.gz UESZROKQQKNCDU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3cc(C)ccc3o2)nn1C ZINC001592212793 1349611145 /nfs/dbraw/zinc/61/11/45/1349611145.db2.gz UESZROKQQKNCDU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3ccsc3)C2)c1-c1nn[n-]n1 ZINC001592476340 1349635970 /nfs/dbraw/zinc/63/59/70/1349635970.db2.gz CVXJMCXXWOULRR-SNVBAGLBSA-N -1 1 334.430 2.271 20 0 EEADMM Cc1nsc(N[C@@H]2CCO[C@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC001592486845 1349636835 /nfs/dbraw/zinc/63/68/35/1349636835.db2.gz TXKFWRSYWPXZAL-NOZJJQNGSA-N -1 1 338.462 2.098 20 0 EEADMM Clc1ccc2c(ccn2CCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592533105 1349649636 /nfs/dbraw/zinc/64/96/36/1349649636.db2.gz KHUWEKLXTRMNED-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Clc1ccc2c(ccn2CCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592533105 1349649642 /nfs/dbraw/zinc/64/96/42/1349649642.db2.gz KHUWEKLXTRMNED-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Clc1nc(N2CCC[C@H]([C@H]3CCOC3)C2)sc1-c1nnn[n-]1 ZINC001592540942 1349653072 /nfs/dbraw/zinc/65/30/72/1349653072.db2.gz SFTMHLDTUIZSRO-IUCAKERBSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CCC[C@H]([C@H]3CCOC3)C2)sc1-c1nn[n-]n1 ZINC001592540942 1349653073 /nfs/dbraw/zinc/65/30/73/1349653073.db2.gz SFTMHLDTUIZSRO-IUCAKERBSA-N -1 1 340.840 2.230 20 0 EEADMM FC(F)[C@H]1CCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001592624277 1349677622 /nfs/dbraw/zinc/67/76/22/1349677622.db2.gz LAOFVMLXWBXQCC-LURJTMIESA-N -1 1 334.252 2.372 20 0 EEADMM FC(F)[C@H]1CCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001592624277 1349677626 /nfs/dbraw/zinc/67/76/26/1349677626.db2.gz LAOFVMLXWBXQCC-LURJTMIESA-N -1 1 334.252 2.372 20 0 EEADMM O=C(CCCOc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592838106 1349718732 /nfs/dbraw/zinc/71/87/32/1349718732.db2.gz OXCZEPYATSWHLW-UHFFFAOYSA-N -1 1 347.766 2.041 20 0 EEADMM O=C(CCCOc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592838106 1349718736 /nfs/dbraw/zinc/71/87/36/1349718736.db2.gz OXCZEPYATSWHLW-UHFFFAOYSA-N -1 1 347.766 2.041 20 0 EEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1coc(-c2nnn[n-]2)c1 ZINC001592983721 1349731406 /nfs/dbraw/zinc/73/14/06/1349731406.db2.gz XMIYRCHLZBUVEP-LBPRGKRZSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1coc(-c2nn[n-]n2)c1 ZINC001592983721 1349731409 /nfs/dbraw/zinc/73/14/09/1349731409.db2.gz XMIYRCHLZBUVEP-LBPRGKRZSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001593213192 1349747674 /nfs/dbraw/zinc/74/76/74/1349747674.db2.gz UCKRTXQMSRUCJE-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001593213192 1349747681 /nfs/dbraw/zinc/74/76/81/1349747681.db2.gz UCKRTXQMSRUCJE-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-c2cnco2)cc1 ZINC001593245234 1349749262 /nfs/dbraw/zinc/74/92/62/1349749262.db2.gz GIBKSCGMUKDLAA-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-c2cnco2)cc1 ZINC001593245234 1349749266 /nfs/dbraw/zinc/74/92/66/1349749266.db2.gz GIBKSCGMUKDLAA-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593258815 1349752600 /nfs/dbraw/zinc/75/26/00/1349752600.db2.gz UFWZBOGIURZWNT-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC001593259483 1349754273 /nfs/dbraw/zinc/75/42/73/1349754273.db2.gz ARIFHRIUFKNICK-KBPBESRZSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(O[C@H]1COc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593280028 1349760152 /nfs/dbraw/zinc/76/01/52/1349760152.db2.gz BAHGHGLSVPASSA-LBPRGKRZSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(O[C@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593280968 1349760776 /nfs/dbraw/zinc/76/07/76/1349760776.db2.gz QXENWMLNXDKUSO-LBPRGKRZSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(OCc1nnc(C2CC2)s1)c1csc(-c2nnn[n-]2)c1 ZINC001593305803 1349775436 /nfs/dbraw/zinc/77/54/36/1349775436.db2.gz CPMYJMLVMIXYFE-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(OCc1nnc(C2CC2)s1)c1csc(-c2nn[n-]n2)c1 ZINC001593305803 1349775439 /nfs/dbraw/zinc/77/54/39/1349775439.db2.gz CPMYJMLVMIXYFE-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@H](CF)C1 ZINC001593314908 1349778812 /nfs/dbraw/zinc/77/88/12/1349778812.db2.gz CGLNCCUACAJYDL-SNVBAGLBSA-N -1 1 328.351 2.170 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@H](C2CC2)C1 ZINC001593329894 1349782407 /nfs/dbraw/zinc/78/24/07/1349782407.db2.gz YNGOWODGKKSVOO-JTQLQIEISA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@H](C2CC2)C1 ZINC001593329894 1349782412 /nfs/dbraw/zinc/78/24/12/1349782412.db2.gz YNGOWODGKKSVOO-JTQLQIEISA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCCC[C@H]1C(F)(F)F ZINC001593348966 1349788508 /nfs/dbraw/zinc/78/85/08/1349788508.db2.gz SUHYXLXTXAGOPB-NSHDSACASA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1C(F)(F)F ZINC001593348966 1349788510 /nfs/dbraw/zinc/78/85/10/1349788510.db2.gz SUHYXLXTXAGOPB-NSHDSACASA-N -1 1 340.309 2.209 20 0 EEADMM O=C1CCCc2c1cn(CCC1CCCC1)c(=O)c2-c1nn[n-]n1 ZINC001593395616 1349796975 /nfs/dbraw/zinc/79/69/75/1349796975.db2.gz VZOLTNHTHZLFIA-UHFFFAOYSA-N -1 1 327.388 2.128 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCSc1ccc(Cl)cc1 ZINC001593492608 1349818432 /nfs/dbraw/zinc/81/84/32/1349818432.db2.gz LFQOSCFZJIPFGA-UHFFFAOYSA-N -1 1 333.804 2.474 20 0 EEADMM O[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]2CCCC[C@H]12 ZINC001593518533 1349829866 /nfs/dbraw/zinc/82/98/66/1349829866.db2.gz AXHOAQVGRGHHNA-XHNCKOQMSA-N -1 1 340.840 2.106 20 0 EEADMM c1ccc([C@@H]2CCC[C@@H](COc3cnc(-c4nn[n-]n4)nc3)O2)cc1 ZINC001593570715 1349855262 /nfs/dbraw/zinc/85/52/62/1349855262.db2.gz HPFVDVBZHMMHPY-ZFWWWQNUSA-N -1 1 338.371 2.346 20 0 EEADMM c1ccc(SC2(CNc3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001593577220 1349859536 /nfs/dbraw/zinc/85/95/36/1349859536.db2.gz CDSHJORLNUSPHW-UHFFFAOYSA-N -1 1 325.401 2.394 20 0 EEADMM Cc1cc(CNC(=O)c2c(C)n[nH]c2C(F)(F)F)oc1C(=O)[O-] ZINC001600201981 1349991970 /nfs/dbraw/zinc/99/19/70/1349991970.db2.gz UCARSRQNVZFUJP-UHFFFAOYSA-N -1 1 331.250 2.267 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nc(C)n1 ZINC001600282597 1350010487 /nfs/dbraw/zinc/01/04/87/1350010487.db2.gz CMLGQKTUGFWDCS-UHFFFAOYSA-N -1 1 339.348 2.040 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@@H](N)c2ccccc2)C(=O)[O-])c1 ZINC001600526644 1350073698 /nfs/dbraw/zinc/07/36/98/1350073698.db2.gz DFEQLAVQUSVGTJ-SJORKVTESA-N -1 1 326.396 2.055 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCN2C(C)(C)C)C(=O)[O-])c1 ZINC001600526653 1350073750 /nfs/dbraw/zinc/07/37/50/1350073750.db2.gz DNHMIMOUOSGASX-CVEARBPZSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1cccn2c(=O)cc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)nc12 ZINC001600589238 1350091495 /nfs/dbraw/zinc/09/14/95/1350091495.db2.gz YUMWOSDUIMWRLL-HRCADAONSA-N -1 1 341.411 2.078 20 0 EEADMM Cc1ccsc1CCCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600610189 1350096989 /nfs/dbraw/zinc/09/69/89/1350096989.db2.gz VSKOPVNZKHSJBQ-CQSZACIVSA-N -1 1 338.473 2.387 20 0 EEADMM Cc1csc2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc(=O)n12 ZINC001600665557 1350113029 /nfs/dbraw/zinc/11/30/29/1350113029.db2.gz YVZMICIOGGJQRA-MELADBBJSA-N -1 1 347.440 2.140 20 0 EEADMM Cc1nc([C@H]2CCN(Cc3ccccc3O[C@@H](C)C(=O)[O-])C2)no1 ZINC001600696255 1350117826 /nfs/dbraw/zinc/11/78/26/1350117826.db2.gz BSJCTRHNMYVYGD-FZMZJTMJSA-N -1 1 331.372 2.219 20 0 EEADMM Cc1nc2cccc(C(=O)NCc3nc4cc(C(=O)[O-])ccc4[nH]3)c2[nH]1 ZINC001600721465 1350120810 /nfs/dbraw/zinc/12/08/10/1350120810.db2.gz YEZOCBMMFGKYQF-UHFFFAOYSA-N -1 1 349.350 2.376 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)Nc3cnccc3C(=O)[O-])cc2s1 ZINC001600728098 1350122633 /nfs/dbraw/zinc/12/26/33/1350122633.db2.gz JFVSKABEQULFPA-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1nc[nH]c1-c1nnc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1CC(C)C ZINC001600732547 1350124040 /nfs/dbraw/zinc/12/40/40/1350124040.db2.gz RSAGDXJHUXORTR-DGCLKSJQSA-N -1 1 346.435 2.180 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1C(=O)[O-] ZINC001600747245 1350127197 /nfs/dbraw/zinc/12/71/97/1350127197.db2.gz RLVJDVAXCADGQP-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM O=C([O-])c1ccoc1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC001601442380 1350284843 /nfs/dbraw/zinc/28/48/43/1350284843.db2.gz AFQKMVOSJGQQJI-UHFFFAOYSA-N -1 1 334.397 2.434 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cccc(OC2CCCC2)c1 ZINC001601568170 1350308312 /nfs/dbraw/zinc/30/83/12/1350308312.db2.gz JESVTGMEPNEJQH-MRXNPFEDSA-N -1 1 343.383 2.157 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001601567997 1350308782 /nfs/dbraw/zinc/30/87/82/1350308782.db2.gz FCDVQHFZYRDPQX-RCCFBDPRSA-N -1 1 349.390 2.479 20 0 EEADMM O=C([O-])[C@H](NCC(=O)N(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC001601669876 1350333560 /nfs/dbraw/zinc/33/35/60/1350333560.db2.gz STGCQFFCHUMNGU-GOSISDBHSA-N -1 1 342.395 2.261 20 0 EEADMM O=C([O-])[C@@]1(C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1c1ccccc1 ZINC001601701437 1350342601 /nfs/dbraw/zinc/34/26/01/1350342601.db2.gz NTKUSGOMLPICEI-LIRRHRJNSA-N -1 1 335.363 2.438 20 0 EEADMM O=C([O-])[C@@]1(N2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)CCOC1 ZINC001601718156 1350346779 /nfs/dbraw/zinc/34/67/79/1350346779.db2.gz CZTGLHSWHQPMAT-IEBWSBKVSA-N -1 1 348.418 2.064 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCN(c3ccc4ccccc4n3)CC2)C1(F)F ZINC001601750221 1350355293 /nfs/dbraw/zinc/35/52/93/1350355293.db2.gz RBQBVQFJHWTHRR-BBRMVZONSA-N -1 1 347.365 2.323 20 0 EEADMM O=C([O-])C1CCN(C(=O)CNC2(c3cccc(Cl)c3)CC2)CC1 ZINC001601822919 1350372886 /nfs/dbraw/zinc/37/28/86/1350372886.db2.gz PARNTJPBFPRHNT-UHFFFAOYSA-N -1 1 336.819 2.242 20 0 EEADMM O=C([O-])[C@@H]1CCN(CCS(=O)(=O)C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC001601825563 1350373509 /nfs/dbraw/zinc/37/35/09/1350373509.db2.gz DVPRYLJHRPEPSD-OAGGEKHMSA-N -1 1 343.489 2.309 20 0 EEADMM O=C([O-])C[C@@]1(NCc2cc(Br)cnc2Cl)CCOC1 ZINC001601936074 1350401119 /nfs/dbraw/zinc/40/11/19/1350401119.db2.gz IGBLHITXIASPQY-LBPRGKRZSA-N -1 1 349.612 2.221 20 0 EEADMM O=C([O-])CCN(Cc1cnc([C@H]2CCCO2)s1)C[C@H]1CCCO1 ZINC001602008082 1350417646 /nfs/dbraw/zinc/41/76/46/1350417646.db2.gz IEQCXRUWZPRSNM-TZMCWYRMSA-N -1 1 340.445 2.450 20 0 EEADMM O=C([O-])CN1CCN(C(=O)CCc2cccc3ccccc32)CC1 ZINC001602062735 1350430283 /nfs/dbraw/zinc/43/02/83/1350430283.db2.gz ALGKTDARJRFLLM-UHFFFAOYSA-N -1 1 326.396 2.001 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)c2cc(Br)n[nH]2)cc1F ZINC001602125362 1350445110 /nfs/dbraw/zinc/44/51/10/1350445110.db2.gz CEJIFYQXLAKNJN-UHFFFAOYSA-N -1 1 342.124 2.191 20 0 EEADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC001602143664 1350449504 /nfs/dbraw/zinc/44/95/04/1350449504.db2.gz VBHZBHKXXWPSLU-UHFFFAOYSA-N -1 1 346.408 2.388 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2cccc(F)n2)CC1 ZINC001602144953 1350450352 /nfs/dbraw/zinc/45/03/52/1350450352.db2.gz ZMMLKWJLRYEULT-UHFFFAOYSA-N -1 1 329.375 2.170 20 0 EEADMM O=C([O-])Cc1csc(NC(=O)c2ncc3ccccc3c2O)n1 ZINC001602154004 1350453261 /nfs/dbraw/zinc/45/32/61/1350453261.db2.gz DRCMPYOREGTOGD-UHFFFAOYSA-N -1 1 329.337 2.276 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@@H]21 ZINC001602203868 1350464978 /nfs/dbraw/zinc/46/49/78/1350464978.db2.gz DLUZJLMFDYMZJE-KECHOPORSA-N -1 1 348.251 2.363 20 0 EEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c1F ZINC001602273116 1350483155 /nfs/dbraw/zinc/48/31/55/1350483155.db2.gz IAYMPXHJHDBCMU-VIFPVBQESA-N -1 1 341.282 2.129 20 0 EEADMM O=C([O-])c1cc(NS(=O)(=O)c2cncc(F)c2)cc2[nH]ccc21 ZINC001602287820 1350486349 /nfs/dbraw/zinc/48/63/49/1350486349.db2.gz FICWIXJKBRUSFA-UHFFFAOYSA-N -1 1 335.316 2.201 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@@H]1CC3(CCC3)C(=O)O1)CC2 ZINC001602367364 1350505361 /nfs/dbraw/zinc/50/53/61/1350505361.db2.gz VMYKOAWKKXKMMM-NSHDSACASA-N -1 1 333.359 2.368 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602417778 1350514608 /nfs/dbraw/zinc/51/46/08/1350514608.db2.gz UYVDMUCELMVMGK-UHFFFAOYSA-N -1 1 334.335 2.373 20 0 EEADMM O=C([O-])c1cccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)n1 ZINC001602432494 1350518502 /nfs/dbraw/zinc/51/85/02/1350518502.db2.gz OPQLEZKBCRDLTB-OAHLLOKOSA-N -1 1 345.786 2.220 20 0 EEADMM O=C([O-])c1ccccc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001602463742 1350524897 /nfs/dbraw/zinc/52/48/97/1350524897.db2.gz PYWSROCYFSJBSB-UHFFFAOYSA-N -1 1 339.395 2.174 20 0 EEADMM O=C([O-])c1cnc(CN2CC[C@H](c3ccc4cccnc4n3)C2)cn1 ZINC001602518794 1350536985 /nfs/dbraw/zinc/53/69/85/1350536985.db2.gz LAQOUBMGZOMIDB-ZDUSSCGKSA-N -1 1 335.367 2.108 20 0 EEADMM O=C([O-])c1nccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)n1 ZINC001602573025 1350549336 /nfs/dbraw/zinc/54/93/36/1350549336.db2.gz CMFHOPAQIVRPIH-AWEZNQCLSA-N -1 1 346.818 2.499 20 0 EEADMM O=C([O-])c1nccc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC001602571504 1350549366 /nfs/dbraw/zinc/54/93/66/1350549366.db2.gz DVUMFRCGMLDHHH-UHFFFAOYSA-N -1 1 330.363 2.026 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccccc1F ZINC001603038085 1350625255 /nfs/dbraw/zinc/62/52/55/1350625255.db2.gz ZHICLNJBZHJJBA-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccccc1F ZINC001603038085 1350625262 /nfs/dbraw/zinc/62/52/62/1350625262.db2.gz ZHICLNJBZHJJBA-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001603184965 1350658498 /nfs/dbraw/zinc/65/84/98/1350658498.db2.gz MKQWOKNYUWXYLB-SKDRFNHKSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001603184965 1350658502 /nfs/dbraw/zinc/65/85/02/1350658502.db2.gz MKQWOKNYUWXYLB-SKDRFNHKSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603270005 1350675891 /nfs/dbraw/zinc/67/58/91/1350675891.db2.gz ISVZYNILKZHBQO-JTQLQIEISA-N -1 1 341.462 2.127 20 0 EEADMM CC(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603270005 1350675894 /nfs/dbraw/zinc/67/58/94/1350675894.db2.gz ISVZYNILKZHBQO-JTQLQIEISA-N -1 1 341.462 2.127 20 0 EEADMM CC(C)N(C)c1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603318684 1350686201 /nfs/dbraw/zinc/68/62/01/1350686201.db2.gz CVVAJCYLXSACFP-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC(C)N(C)c1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603318684 1350686205 /nfs/dbraw/zinc/68/62/05/1350686205.db2.gz CVVAJCYLXSACFP-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC(C)(C)N1CC[C@@H]1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001603344842 1350691610 /nfs/dbraw/zinc/69/16/10/1350691610.db2.gz USJTZNAORLVMAV-WDEREUQCSA-N -1 1 337.445 2.030 20 0 EEADMM CC(C)c1nn(C)cc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603415341 1350702792 /nfs/dbraw/zinc/70/27/92/1350702792.db2.gz HEIZCSSPDDTRLR-UHFFFAOYSA-N -1 1 332.389 2.142 20 0 EEADMM CC(C)(C[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001603618165 1350728781 /nfs/dbraw/zinc/72/87/81/1350728781.db2.gz AVQPMHSNLGZOKC-SHBDPFAUSA-N -1 1 331.412 2.462 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cnn(CC2CCC2)c1 ZINC001603672954 1350739596 /nfs/dbraw/zinc/73/95/96/1350739596.db2.gz ZDTPXZNHHNGBNX-JTQLQIEISA-N -1 1 344.448 2.171 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cnn(CC2CCC2)c1 ZINC001603672954 1350739598 /nfs/dbraw/zinc/73/95/98/1350739598.db2.gz ZDTPXZNHHNGBNX-JTQLQIEISA-N -1 1 344.448 2.171 20 0 EEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603727611 1350752084 /nfs/dbraw/zinc/75/20/84/1350752084.db2.gz ZBHMUAODNDKNQN-NSHDSACASA-N -1 1 340.362 2.163 20 0 EEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603727611 1350752087 /nfs/dbraw/zinc/75/20/87/1350752087.db2.gz ZBHMUAODNDKNQN-NSHDSACASA-N -1 1 340.362 2.163 20 0 EEADMM C[C@@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCc2ccccc2C1 ZINC001603751408 1350757676 /nfs/dbraw/zinc/75/76/76/1350757676.db2.gz HDWGFHKMJRYENV-MRXNPFEDSA-N -1 1 340.412 2.457 20 0 EEADMM C[C@@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCc2ccccc2C1 ZINC001603751408 1350757681 /nfs/dbraw/zinc/75/76/81/1350757681.db2.gz HDWGFHKMJRYENV-MRXNPFEDSA-N -1 1 340.412 2.457 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603808358 1350773755 /nfs/dbraw/zinc/77/37/55/1350773755.db2.gz NLOVYNGEPHMDQQ-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603830879 1350777829 /nfs/dbraw/zinc/77/78/29/1350777829.db2.gz QAYVJNNGSKYDHX-JGVFFNPUSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603830879 1350777831 /nfs/dbraw/zinc/77/78/31/1350777831.db2.gz QAYVJNNGSKYDHX-JGVFFNPUSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC2(CCCCC2)O1 ZINC001603931746 1350803861 /nfs/dbraw/zinc/80/38/61/1350803861.db2.gz RJXGMNMKLLUMDJ-NSHDSACASA-N -1 1 347.444 2.492 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC2(CCCCC2)O1 ZINC001603931746 1350803866 /nfs/dbraw/zinc/80/38/66/1350803866.db2.gz RJXGMNMKLLUMDJ-NSHDSACASA-N -1 1 347.444 2.492 20 0 EEADMM C[C@H]1CN(Cc2csc(-c3nn[n-]n3)c2)c2ccccc2C(=O)N1 ZINC001603935012 1350805622 /nfs/dbraw/zinc/80/56/22/1350805622.db2.gz DSEFNPRVCRLJSL-JTQLQIEISA-N -1 1 340.412 2.067 20 0 EEADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCc2ccc(Cl)cc21 ZINC001603938761 1350808054 /nfs/dbraw/zinc/80/80/54/1350808054.db2.gz HJZCAQYHJCSJPX-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCc2ccc(Cl)cc21 ZINC001603938761 1350808060 /nfs/dbraw/zinc/80/80/60/1350808060.db2.gz HJZCAQYHJCSJPX-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001603987098 1350821413 /nfs/dbraw/zinc/82/14/13/1350821413.db2.gz KWIXFPKKHXUTAJ-QGZVFWFLSA-N -1 1 340.362 2.456 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001603987098 1350821421 /nfs/dbraw/zinc/82/14/21/1350821421.db2.gz KWIXFPKKHXUTAJ-QGZVFWFLSA-N -1 1 340.362 2.456 20 0 EEADMM CC/C(C)=C\C(=O)N[C@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603991694 1350822736 /nfs/dbraw/zinc/82/27/36/1350822736.db2.gz XMKBFWCFIMTZMC-LKMPMBSTSA-N -1 1 349.464 2.293 20 0 EEADMM CC[C@H](C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603996486 1350824445 /nfs/dbraw/zinc/82/44/45/1350824445.db2.gz JLTOIQJHCDEMCS-SDBXPKJASA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@H](C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603996486 1350824449 /nfs/dbraw/zinc/82/44/49/1350824449.db2.gz JLTOIQJHCDEMCS-SDBXPKJASA-N -1 1 344.341 2.490 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](CCO)c1ccco1 ZINC001604073269 1350847538 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C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604240736 1350900965 /nfs/dbraw/zinc/90/09/65/1350900965.db2.gz KHWGLRLDRUTTAP-WDEREUQCSA-N -1 1 348.428 2.149 20 0 EEADMM CCOC(=O)Nc1ccc(OC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001604382043 1350926691 /nfs/dbraw/zinc/92/66/91/1350926691.db2.gz FYHIAELNQAJGBC-UHFFFAOYSA-N -1 1 343.299 2.247 20 0 EEADMM CCOC(=O)Nc1ccc(OC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001604382043 1350926693 /nfs/dbraw/zinc/92/66/93/1350926693.db2.gz FYHIAELNQAJGBC-UHFFFAOYSA-N -1 1 343.299 2.247 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C12CCCCC2 ZINC001604409696 1350931782 /nfs/dbraw/zinc/93/17/82/1350931782.db2.gz XERXQWNVBKGARZ-UONOGXRCSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C12CCCCC2 ZINC001604409696 1350931785 /nfs/dbraw/zinc/93/17/85/1350931785.db2.gz XERXQWNVBKGARZ-UONOGXRCSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(CC)CC ZINC001604412176 1350932711 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CC[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccn1 ZINC001604500039 1350949607 /nfs/dbraw/zinc/94/96/07/1350949607.db2.gz UOJYDGHZTQWJAJ-LBPRGKRZSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccn1 ZINC001604500039 1350949610 /nfs/dbraw/zinc/94/96/10/1350949610.db2.gz UOJYDGHZTQWJAJ-LBPRGKRZSA-N -1 1 344.325 2.421 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001604589462 1350965806 /nfs/dbraw/zinc/96/58/06/1350965806.db2.gz PKOLDTSKNDLVQF-ZRUQZJFASA-N -1 1 346.305 2.020 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001604643708 1350976044 /nfs/dbraw/zinc/97/60/44/1350976044.db2.gz SPYKOISPCWEJEI-VXGBXAGGSA-N -1 1 346.439 2.279 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001604643708 1350976046 /nfs/dbraw/zinc/97/60/46/1350976046.db2.gz SPYKOISPCWEJEI-VXGBXAGGSA-N -1 1 346.439 2.279 20 0 EEADMM CC1CCN(C(=O)CN[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001604742830 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1351211404 /nfs/dbraw/zinc/21/14/04/1351211404.db2.gz XBPIRRWQYBQIHJ-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1Cl ZINC001605656753 1351211407 /nfs/dbraw/zinc/21/14/07/1351211407.db2.gz XBPIRRWQYBQIHJ-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1ccsc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001605971670 1351260457 /nfs/dbraw/zinc/26/04/57/1351260457.db2.gz BYEYORHIQAIEQE-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1ccsc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001605971670 1351260459 /nfs/dbraw/zinc/26/04/59/1351260459.db2.gz BYEYORHIQAIEQE-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606013878 1351263653 /nfs/dbraw/zinc/26/36/53/1351263653.db2.gz YTRAKKMPOBLERE-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001606012400 1351263778 /nfs/dbraw/zinc/26/37/78/1351263778.db2.gz WQBGCJAVHHBBID-OAHLLOKOSA-N -1 1 346.362 2.343 20 0 EEADMM 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EEADMM CCC[C@@H](CC(C)C)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001398657132 1394139187 /nfs/dbraw/zinc/13/91/87/1394139187.db2.gz XFGDNGWEJSUJRD-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@]1(CNC(=O)c2ccccc2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400953473 1396759276 /nfs/dbraw/zinc/75/92/76/1396759276.db2.gz CJHNETHVIUDFTI-IBGZPJMESA-N -1 1 339.395 2.069 20 0 EEADMM O=S(=O)([N-]CC1CCCCCC1)c1nc[nH]c1Br ZINC001424063441 1400891351 /nfs/dbraw/zinc/89/13/51/1400891351.db2.gz JXRFYJAWGZKRSM-UHFFFAOYSA-N -1 1 336.255 2.421 20 0 EEADMM CC[C@@H](CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C(C)C ZINC001426845303 1402224721 /nfs/dbraw/zinc/22/47/21/1402224721.db2.gz YGCCSJSIXJOWSF-SOUVJXGZSA-N -1 1 347.459 2.484 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccsc1 ZINC001427517065 1402457464 /nfs/dbraw/zinc/45/74/64/1402457464.db2.gz LSBAAOFSFSSWNQ-RYUDHWBXSA-N -1 1 347.440 2.229 20 0 EEADMM CCCC[C@H](C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001428598509 1402763520 /nfs/dbraw/zinc/76/35/20/1402763520.db2.gz KJQMJJQKJCEPBV-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H](CNC(=O)C1CCCCCCC1)NC(=O)c1ncccc1[O-] ZINC001431627792 1403095345 /nfs/dbraw/zinc/09/53/45/1403095345.db2.gz VQEQRMNZOUKTRC-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCC(CC)CC(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001431914175 1403152883 /nfs/dbraw/zinc/15/28/83/1403152883.db2.gz SADKILUFSDAXAO-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(F)c1 ZINC001434615869 1403476745 /nfs/dbraw/zinc/47/67/45/1403476745.db2.gz WYXAWWNTQMRODZ-HNNXBMFYSA-N -1 1 345.342 2.290 20 0 EEADMM CCCCN(CC)S(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001577511975 1403661129 /nfs/dbraw/zinc/66/11/29/1403661129.db2.gz GHRQLJWCVWRIIA-UHFFFAOYSA-N -1 1 341.412 2.125 20 0 EEADMM CCc1ccc(F)cc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001578526264 1403768375 /nfs/dbraw/zinc/76/83/75/1403768375.db2.gz IPDCICIXIHQERV-UHFFFAOYSA-N -1 1 342.334 2.224 20 0 EEADMM COC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC001579484738 1403784357 /nfs/dbraw/zinc/78/43/57/1403784357.db2.gz JYSNXBBNCOFHQO-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001580152783 1403837402 /nfs/dbraw/zinc/83/74/02/1403837402.db2.gz ORVOMYDKEHJFDN-QHCPKHFHSA-N -1 1 348.413 2.216 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001580152783 1403837405 /nfs/dbraw/zinc/83/74/05/1403837405.db2.gz ORVOMYDKEHJFDN-QHCPKHFHSA-N -1 1 348.413 2.216 20 0 EEADMM CCOc1ccc(C[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001590835323 1403901041 /nfs/dbraw/zinc/90/10/41/1403901041.db2.gz ARFSZPIHRQHZPB-GFCCVEGCSA-N -1 1 339.403 2.346 20 0 EEADMM CCOc1ccc(C[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001590835323 1403901045 /nfs/dbraw/zinc/90/10/45/1403901045.db2.gz ARFSZPIHRQHZPB-GFCCVEGCSA-N -1 1 339.403 2.346 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccsc2C(F)F)nn1C ZINC001591796172 1403949511 /nfs/dbraw/zinc/94/95/11/1403949511.db2.gz AHFRETRKIZLMRP-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccsc2C(F)F)nn1C ZINC001591796172 1403949515 /nfs/dbraw/zinc/94/95/15/1403949515.db2.gz AHFRETRKIZLMRP-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001591891564 1403970358 /nfs/dbraw/zinc/97/03/58/1403970358.db2.gz LCCZUKBDJJDBJW-UHFFFAOYSA-N -1 1 334.383 2.328 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC001591891564 1403970363 /nfs/dbraw/zinc/97/03/63/1403970363.db2.gz LCCZUKBDJJDBJW-UHFFFAOYSA-N -1 1 334.383 2.328 20 0 EEADMM Cc1cc(=O)[nH]cc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592057939 1403990963 /nfs/dbraw/zinc/99/09/63/1403990963.db2.gz RJXIKJTWHWZDGH-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC001592133082 1404002116 /nfs/dbraw/zinc/00/21/16/1404002116.db2.gz WYTHDGZJBMJJTE-UHFFFAOYSA-N -1 1 325.376 2.379 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC001592133082 1404002125 /nfs/dbraw/zinc/00/21/25/1404002125.db2.gz WYTHDGZJBMJJTE-UHFFFAOYSA-N -1 1 325.376 2.379 20 0 EEADMM Cc1ncsc1CCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592424181 1404032263 /nfs/dbraw/zinc/03/22/63/1404032263.db2.gz RMPKIIZHPZVHEL-UHFFFAOYSA-N -1 1 335.414 2.483 20 0 EEADMM Cc1ncsc1CCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592424181 1404032278 /nfs/dbraw/zinc/03/22/78/1404032278.db2.gz RMPKIIZHPZVHEL-UHFFFAOYSA-N -1 1 335.414 2.483 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccc2ncccc12 ZINC001592500601 1404704763 /nfs/dbraw/zinc/70/47/63/1404704763.db2.gz GFBUOJXBWBZCAM-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccc2ncccc12 ZINC001592500601 1404704772 /nfs/dbraw/zinc/70/47/72/1404704772.db2.gz GFBUOJXBWBZCAM-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCC12CCCCC2 ZINC001592914666 1404730126 /nfs/dbraw/zinc/73/01/26/1404730126.db2.gz FMFKMDQSMMGYQD-HNNXBMFYSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCC12CCCCC2 ZINC001592914666 1404730128 /nfs/dbraw/zinc/73/01/28/1404730128.db2.gz FMFKMDQSMMGYQD-HNNXBMFYSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(NCC1CCc2ccccc2CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593044858 1404740294 /nfs/dbraw/zinc/74/02/94/1404740294.db2.gz UHTCENNANNLJRW-UHFFFAOYSA-N -1 1 348.410 2.187 20 0 EEADMM O=C(NCC1CCc2ccccc2CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593044858 1404740300 /nfs/dbraw/zinc/74/03/00/1404740300.db2.gz UHTCENNANNLJRW-UHFFFAOYSA-N -1 1 348.410 2.187 20 0 EEADMM Cc1[nH]nc(NCc2nc3ccc(F)cc3s2)c1-c1nnn[n-]1 ZINC001606014468 1404754733 /nfs/dbraw/zinc/75/47/33/1404754733.db2.gz ZZXOAZJXXNBTLO-UHFFFAOYSA-N -1 1 330.352 2.259 20 0 EEADMM Cc1[nH]nc(NCc2nc3ccc(F)cc3s2)c1-c1nn[n-]n1 ZINC001606014468 1404754736 /nfs/dbraw/zinc/75/47/36/1404754736.db2.gz ZZXOAZJXXNBTLO-UHFFFAOYSA-N -1 1 330.352 2.259 20 0 EEADMM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC(C)(CO)CO ZINC001606148797 1404769528 /nfs/dbraw/zinc/76/95/28/1404769528.db2.gz RFBWSGNBGRPLJB-UHFFFAOYSA-N -1 1 333.384 2.068 20 0 EEADMM Fc1cccnc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001606335696 1404797674 /nfs/dbraw/zinc/79/76/74/1404797674.db2.gz GAWHVPFJGISLBJ-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1cccnc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001606335696 1404797676 /nfs/dbraw/zinc/79/76/76/1404797676.db2.gz GAWHVPFJGISLBJ-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([O-])cc1F ZINC000165400280 1405715995 /nfs/dbraw/zinc/71/59/95/1405715995.db2.gz MRRULASHEYGQEG-KRWDZBQOSA-N -1 1 342.370 2.452 20 0 EEADMM CC[C@H](CNC(=O)c1csc2ccccc12)NCc1n[nH]c(=O)[n-]1 ZINC001732209919 1405938160 /nfs/dbraw/zinc/93/81/60/1405938160.db2.gz KEXGBOXETBNDEN-SNVBAGLBSA-N -1 1 345.428 2.023 20 0 EEADMM CCCCCCC(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001756160166 1408188665 /nfs/dbraw/zinc/18/86/65/1408188665.db2.gz PEKQKIZQEDQZIW-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1CCC1CCCCC1 ZINC001772158256 1410067251 /nfs/dbraw/zinc/06/72/51/1410067251.db2.gz XGZACHBGLNRJFQ-CQSZACIVSA-N -1 1 344.467 2.248 20 0 EEADMM Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1CCC1CCCCC1 ZINC001772158256 1410067258 /nfs/dbraw/zinc/06/72/58/1410067258.db2.gz XGZACHBGLNRJFQ-CQSZACIVSA-N -1 1 344.467 2.248 20 0 EEADMM C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001006502839 1410418329 /nfs/dbraw/zinc/41/83/29/1410418329.db2.gz NUIGDGIXRKDKEI-IACUBPJLSA-N -1 1 345.443 2.046 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2c[nH]c3ncccc23)c1 ZINC001210945799 758212145 /nfs/dbraw/zinc/21/21/45/758212145.db2.gz AHFVCDZIBPJFMT-UHFFFAOYSA-N -1 1 332.341 2.279 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCCCC2(F)F)co1 ZINC000835639521 761156136 /nfs/dbraw/zinc/15/61/36/761156136.db2.gz UZYSXGIWFAKRMT-SNVBAGLBSA-N -1 1 337.344 2.170 20 0 EEADMM CCc1cc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])nc(C)n1 ZINC001104536130 761708159 /nfs/dbraw/zinc/70/81/59/761708159.db2.gz HJSJZZAHLNZAJW-LLVKDONJSA-N -1 1 329.404 2.021 20 0 EEADMM Cc1ccnc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935935 765607971 /nfs/dbraw/zinc/60/79/71/765607971.db2.gz YPATYEJNQGBXMZ-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM O=C(CSC1=NCCS1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000919709508 770222052 /nfs/dbraw/zinc/22/20/52/770222052.db2.gz KXNGCFXUCFEHNS-UHFFFAOYSA-N -1 1 346.380 2.380 20 0 EEADMM C[C@@H](c1c(F)cccc1F)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628463 770444561 /nfs/dbraw/zinc/44/45/61/770444561.db2.gz MYCQRIUNUHKYAI-NSHDSACASA-N -1 1 347.365 2.488 20 0 EEADMM Cc1ccc(CN2CC(CNC(=O)c3ncccc3[O-])C2)cc1F ZINC001031628063 770452162 /nfs/dbraw/zinc/45/21/62/770452162.db2.gz BPPUIYZSSPSZIX-UHFFFAOYSA-N -1 1 329.375 2.097 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCN(C(=O)N2CCCC2)CC1 ZINC000920438730 770720715 /nfs/dbraw/zinc/72/07/15/770720715.db2.gz ZETKQFCUMPFBAX-UHFFFAOYSA-N -1 1 337.807 2.019 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979678991 770869492 /nfs/dbraw/zinc/86/94/92/770869492.db2.gz IJXBTNLGUGVAPR-IHRRRGAJSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC000942754539 783118457 /nfs/dbraw/zinc/11/84/57/783118457.db2.gz CAFNYZOPYLHSIY-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC000942759525 783149548 /nfs/dbraw/zinc/14/95/48/783149548.db2.gz YATPWQZANAMSGV-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)cc21 ZINC000181161273 775563811 /nfs/dbraw/zinc/56/38/11/775563811.db2.gz ZPMJPMLJMOOTRK-UHFFFAOYSA-N -1 1 344.392 2.150 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC000939148890 775695831 /nfs/dbraw/zinc/69/58/31/775695831.db2.gz VTECRKLGXQYHEU-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccc(NCC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001063273139 790539780 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NC(=O)Nc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937539 781013160 /nfs/dbraw/zinc/01/31/60/781013160.db2.gz ZMVHJULKKYJOHW-UHFFFAOYSA-N -1 1 347.311 2.262 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000805605836 783662325 /nfs/dbraw/zinc/66/23/25/783662325.db2.gz QOSKUHACWSPITM-MRVPVSSYSA-N -1 1 333.735 2.350 20 0 EEADMM O=C([N-]OC1CCOCC1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000816172619 783774334 /nfs/dbraw/zinc/77/43/34/783774334.db2.gz VKDQPUAZPKAEHH-UHFFFAOYSA-N -1 1 337.391 2.392 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C1CC(C)(C)C1 ZINC000945288523 783782664 /nfs/dbraw/zinc/78/26/64/783782664.db2.gz LHWYDDVWUMEHBA-TZMCWYRMSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945580947 784392070 /nfs/dbraw/zinc/39/20/70/784392070.db2.gz PKANKJZJFRUMKF-ZIAGYGMSSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000945611045 784500883 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CSc1nc(C)c(CCC(=O)N[C@H](C)Cc2ccco2)c(=O)[n-]1 ZINC000033208926 798100207 /nfs/dbraw/zinc/10/02/07/798100207.db2.gz FCCBBXYDRNCDMC-SNVBAGLBSA-N -1 1 335.429 2.073 20 0 EEADMM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC001175662936 798189718 /nfs/dbraw/zinc/18/97/18/798189718.db2.gz KOLGLEUQWLSJHG-UHFFFAOYSA-N -1 1 332.385 2.263 20 0 EEADMM C/C=C(\C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060705922 798412006 /nfs/dbraw/zinc/41/20/06/798412006.db2.gz OLJSNZBRRDNTOI-GNBVQZSJSA-N -1 1 331.416 2.158 20 0 EEADMM CN(C[C@@H](O)c1cccnc1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001180217775 800313341 /nfs/dbraw/zinc/31/33/41/800313341.db2.gz WKWMAKXQESGMIZ-QGZVFWFLSA-N -1 1 338.363 2.452 20 0 EEADMM COC(=O)c1cc2cc(NC(=O)C3(C(=O)[O-])CCCCC3)cnc2[nH]1 ZINC001180434434 800412134 /nfs/dbraw/zinc/41/21/34/800412134.db2.gz MQNWRZWRXPHRQQ-UHFFFAOYSA-N -1 1 345.355 2.323 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C/C=C/c3ccccc3)C2)c1[O-] ZINC001033007522 800755491 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/nfs/dbraw/zinc/98/46/76/986984676.db2.gz PYTXXOPPRGHWIF-NSHDSACASA-N -1 1 334.372 2.073 20 0 EEADMM CSc1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC001599819361 988485122 /nfs/dbraw/zinc/48/51/22/988485122.db2.gz PELZWHULHNXURZ-UHFFFAOYSA-N -1 1 347.400 2.424 20 0 EEADMM CCc1ncc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])[nH]1 ZINC001597669641 988758498 /nfs/dbraw/zinc/75/84/98/988758498.db2.gz AJYSFEKNGFYBBT-SNVBAGLBSA-N -1 1 333.413 2.467 20 0 EEADMM CCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)[O-] ZINC001597685100 988826269 /nfs/dbraw/zinc/82/62/69/988826269.db2.gz BHOUQIALXOJKKU-UHFFFAOYSA-N -1 1 330.362 2.344 20 0 EEADMM CN(C(=O)CN1CC[C@@H](c2cccnc2)C1)c1ccccc1C(=O)[O-] ZINC001598022029 990211839 /nfs/dbraw/zinc/21/18/39/990211839.db2.gz DJOGZFCYRGWJRK-OAHLLOKOSA-N -1 1 339.395 2.232 20 0 EEADMM CN(C(=O)CN[C@@](C)(CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC001598024889 990233449 /nfs/dbraw/zinc/23/34/49/990233449.db2.gz JZQLJMDCVPKYID-SFHVURJKSA-N -1 1 327.384 2.024 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1cccs1 ZINC001598169536 990690286 /nfs/dbraw/zinc/69/02/86/990690286.db2.gz BYJHTIFPAIKBOW-STQMWFEESA-N -1 1 339.461 2.151 20 0 EEADMM COc1cccc([C@H](NCc2ccc(S(C)(=O)=O)cc2)C(=O)[O-])c1 ZINC001599688363 991025097 /nfs/dbraw/zinc/02/50/97/991025097.db2.gz WSDOYGNZQVMRPS-INIZCTEOSA-N -1 1 349.408 2.014 20 0 EEADMM CC(C)C[C@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC001591177738 991973115 /nfs/dbraw/zinc/97/31/15/991973115.db2.gz JREYAMWQNOJHTQ-LBPRGKRZSA-N -1 1 348.428 2.179 20 0 EEADMM CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccccc1C(=O)[O-] ZINC001599750551 991985887 /nfs/dbraw/zinc/98/58/87/991985887.db2.gz IAGWGRJZYLMZDW-CQSZACIVSA-N -1 1 325.430 2.174 20 0 EEADMM CC(C)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001591629173 992917984 /nfs/dbraw/zinc/91/79/84/992917984.db2.gz IYFOZHGRXTWXHG-LLVKDONJSA-N -1 1 338.429 2.330 20 0 EEADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001593132352 993891036 /nfs/dbraw/zinc/89/10/36/993891036.db2.gz XMZOGOZEONGBGB-WDEREUQCSA-N -1 1 339.392 2.108 20 0 EEADMM COc1ccc2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])sc2c1 ZINC001599636373 994294720 /nfs/dbraw/zinc/29/47/20/994294720.db2.gz NKLQXYFUCHGQOT-GFCCVEGCSA-N -1 1 345.380 2.059 20 0 EEADMM C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1cncc(C(=O)[O-])c1 ZINC001593247307 994463562 /nfs/dbraw/zinc/46/35/62/994463562.db2.gz GFQDPGSTPUPBOA-JOYOIKCWSA-N -1 1 328.294 2.431 20 0 EEADMM COc1cccc(C[C@@H](N[C@H](C)C(=O)N2CCCCCC2)C(=O)[O-])c1 ZINC001599668622 994772955 /nfs/dbraw/zinc/77/29/55/994772955.db2.gz JJJBGFWGHSJVTE-RHSMWYFYSA-N -1 1 348.443 2.072 20 0 EEADMM COc1cccc(C[C@H](N[C@@H](C)C(=O)N2CCCCCC2)C(=O)[O-])c1 ZINC001599668625 994773096 /nfs/dbraw/zinc/77/30/96/994773096.db2.gz JJJBGFWGHSJVTE-YOEHRIQHSA-N -1 1 348.443 2.072 20 0 EEADMM C[C@@H](O)[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001593441069 995291384 /nfs/dbraw/zinc/29/13/84/995291384.db2.gz DFLUDIWPBJYKNQ-MWLCHTKSSA-N -1 1 328.206 2.350 20 0 EEADMM C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)NCC(=O)[O-] ZINC001593679816 996103965 /nfs/dbraw/zinc/10/39/65/996103965.db2.gz PYOSQQSKABANDP-ZCFIWIBFSA-N -1 1 347.318 2.263 20 0 EEADMM COc1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(N)c1F ZINC001599487295 996873104 /nfs/dbraw/zinc/87/31/04/996873104.db2.gz PIAFWYUIQXGUHX-UHFFFAOYSA-N -1 1 344.302 2.243 20 0 EEADMM COC(=O)[C@@H]1OCC[C@@H]1N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598902214 997193282 /nfs/dbraw/zinc/19/32/82/997193282.db2.gz WFDAIFLVWRPDFH-QJPTWQEYSA-N -1 1 348.182 2.039 20 0 EEADMM COC(=O)[C@@H]1OCC[C@@H]1N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598902215 997193566 /nfs/dbraw/zinc/19/35/66/997193566.db2.gz WFDAIFLVWRPDFH-SDDRHHMPSA-N -1 1 348.182 2.039 20 0 EEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc(OC)c1OC ZINC001599414412 997480114 /nfs/dbraw/zinc/48/01/14/997480114.db2.gz CRCLBYGUJWTQTC-MRXNPFEDSA-N -1 1 347.367 2.334 20 0 EEADMM COc1ccc([C@@H](NCc2cnc(C(C)(C)C)nc2)C(=O)[O-])cc1O ZINC001599530412 997641254 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CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3cccc4[nH]ccc43)CC2)O1 ZINC001594104072 998146790 /nfs/dbraw/zinc/14/67/90/998146790.db2.gz IFZYWVARHBCQCM-AWEZNQCLSA-N -1 1 341.411 2.437 20 0 EEADMM COc1ccc(Cl)cc1[C@H](O)CNCc1ncc(C(=O)[O-])s1 ZINC001599579876 998510311 /nfs/dbraw/zinc/51/03/11/998510311.db2.gz ZQRVPVKQVJQNMJ-SNVBAGLBSA-N -1 1 342.804 2.327 20 0 EEADMM COC(=O)c1cccc([C@@H](N[C@@H](C)c2cncc(F)c2)C(=O)[O-])c1 ZINC001598994901 998771098 /nfs/dbraw/zinc/77/10/98/998771098.db2.gz IKWNTALVHJOHIA-ZUZCIYMTSA-N -1 1 332.331 2.484 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001437036251 1088876813 /nfs/dbraw/zinc/87/68/13/1088876813.db2.gz NWSIQYLJTDUIRK-HNNXBMFYSA-N -1 1 344.459 2.330 20 0 EEADMM Cc1cccc(-n2cnc3cc(C(=O)N(C)c4nn[n-]n4)ccc32)c1 ZINC001437665515 1090194788 /nfs/dbraw/zinc/19/47/88/1090194788.db2.gz JOWWWGIVFWAWBZ-UHFFFAOYSA-N -1 1 333.355 2.124 20 0 EEADMM CSc1ccc([O-])c(C(=O)Nc2cccc(OCC(N)=O)c2)c1 ZINC001440583726 1093850340 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CCC1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])CCC1 ZINC001452212296 1098312216 /nfs/dbraw/zinc/31/22/16/1098312216.db2.gz AHKQVVBMOHYVDL-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)c(=O)[n-]1 ZINC001444056066 1098580349 /nfs/dbraw/zinc/58/03/49/1098580349.db2.gz LGPDFUATWZFWDO-NSHDSACASA-N -1 1 341.433 2.000 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])oc1C ZINC001445208460 1100466962 /nfs/dbraw/zinc/46/69/62/1100466962.db2.gz XUDIAVAZJYUTGV-NWDGAFQWSA-N -1 1 345.399 2.324 20 0 EEADMM CCN(C(=O)c1sccc1C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001445313025 1100547365 /nfs/dbraw/zinc/54/73/65/1100547365.db2.gz XSFMTXDHUONMBE-GFCCVEGCSA-N -1 1 347.440 2.438 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1csc(Cl)n1 ZINC001448008178 1103786569 /nfs/dbraw/zinc/78/65/69/1103786569.db2.gz GASRIKFIMCBMBF-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC001454001265 1106652390 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COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C)ns1 ZINC001475001877 1110604422 /nfs/dbraw/zinc/60/44/22/1110604422.db2.gz GXJOAKHVISQGDZ-DZGCQCFKSA-N -1 1 338.454 2.469 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1F ZINC001500802209 1113084759 /nfs/dbraw/zinc/08/47/59/1113084759.db2.gz JIQZWSDEEJRLDZ-CQSZACIVSA-N -1 1 345.374 2.111 20 0 EEADMM CC1(CCC(=O)NC[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001506550369 1114692255 /nfs/dbraw/zinc/69/22/55/1114692255.db2.gz JMNZJLRDPAKSBJ-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@H](CNC(=O)[C@H](F)C(C)C)NC(=O)c1ncccc1[O-] ZINC001509317216 1115797079 /nfs/dbraw/zinc/79/70/79/1115797079.db2.gz VBMMDLBKJCZAQR-TZMCWYRMSA-N -1 1 339.411 2.186 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CCNC(=O)C1(C)CC1 ZINC001515204934 1118951378 /nfs/dbraw/zinc/95/13/78/1118951378.db2.gz XZJSWIRPUHPYBI-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCCC2 ZINC001519694286 1119099249 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2.398 20 0 EEADMM Cc1ccnc(C(=O)N[C@H]2CCO[C@H]2c2cnn(C(C)C)c2)c1[O-] ZINC001550393895 1121790254 /nfs/dbraw/zinc/79/02/54/1121790254.db2.gz HCOREPRPLQIQEU-BBRMVZONSA-N -1 1 330.388 2.133 20 0 EEADMM CCc1ccc(C(=O)NC[C@@H](CC)NC(=O)c2ncccc2[O-])s1 ZINC001531293515 1122352802 /nfs/dbraw/zinc/35/28/02/1122352802.db2.gz RQPJKYLUDBVWRC-LLVKDONJSA-N -1 1 347.440 2.350 20 0 EEADMM Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)c4nn[n-]n4)ccc32)c1 ZINC001539040756 1124044256 /nfs/dbraw/zinc/04/42/56/1124044256.db2.gz BFCVPBIHUHGQFA-UHFFFAOYSA-N -1 1 347.382 2.432 20 0 EEADMM CCc1ccc(-c2noc(CN3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001550915483 1124174184 /nfs/dbraw/zinc/17/41/84/1124174184.db2.gz DQDFLADEJNOKAA-IJEWVQPXSA-N -1 1 327.384 2.452 20 0 EEADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cn1)c1nc(-c2ccncc2)no1 ZINC001544972087 1124174447 /nfs/dbraw/zinc/17/44/47/1124174447.db2.gz LENJHSQMFGTEPB-CQSZACIVSA-N -1 1 339.355 2.359 20 0 EEADMM O=C(NC1CC(CO)(c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC001551072693 1124250716 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C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)CC2CCCCC2)o1 ZINC000446483313 242194632 /nfs/dbraw/zinc/19/46/32/242194632.db2.gz BOQHGRVMDMHUMF-NSHDSACASA-N -1 1 328.434 2.276 20 0 EEADMM CC[C@@H]1CCN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)C1 ZINC000447049531 242241850 /nfs/dbraw/zinc/24/18/50/242241850.db2.gz VNCBFFOFCQCJQJ-LLVKDONJSA-N -1 1 341.433 2.331 20 0 EEADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cncc([O-])c1 ZINC000109945388 220003800 /nfs/dbraw/zinc/00/38/00/220003800.db2.gz RKSMLTMBDIOFSV-UHFFFAOYSA-N -1 1 325.368 2.456 20 0 EEADMM CCOc1cc(C(=O)NC[C@@H]2CCOC[C@@H]2OC)cc(Cl)c1[O-] ZINC000456107866 244152368 /nfs/dbraw/zinc/15/23/68/244152368.db2.gz VXQOUQRVZVUXRZ-HZMBPMFUSA-N -1 1 343.807 2.226 20 0 EEADMM O=C(c1cc(F)ccc1[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000373536408 296181529 /nfs/dbraw/zinc/18/15/29/296181529.db2.gz WDFSDKUJDHJYJA-GOSISDBHSA-N -1 1 326.327 2.267 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCS[C@H](C)C1 ZINC000264093225 246058193 /nfs/dbraw/zinc/05/81/93/246058193.db2.gz 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304250468 /nfs/dbraw/zinc/25/04/68/304250468.db2.gz RXIGNNOSDAUDLL-AWEZNQCLSA-N -1 1 349.364 2.002 20 0 EEADMM Cc1noc([N-]C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)n1 ZINC000264819341 256019263 /nfs/dbraw/zinc/01/92/63/256019263.db2.gz ZMOOYECCNVEURX-UHFFFAOYSA-N -1 1 339.377 2.112 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000267794474 256087654 /nfs/dbraw/zinc/08/76/54/256087654.db2.gz SEPZLRBUJCHDLR-SNVBAGLBSA-N -1 1 338.212 2.223 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000271283752 256229412 /nfs/dbraw/zinc/22/94/12/256229412.db2.gz CSUPQSPFVIMNHB-LBPRGKRZSA-N -1 1 342.443 2.221 20 0 EEADMM CCOc1cc(C(=O)NC[C@@]2(O)CCSC2)cc(Cl)c1[O-] ZINC000273841727 256331729 /nfs/dbraw/zinc/33/17/29/256331729.db2.gz JLYGCDVMKPFBNJ-AWEZNQCLSA-N -1 1 331.821 2.042 20 0 EEADMM CCCc1ccc(N2C[C@H](C(=O)[N-]OC[C@@H]3CCOC3)CC2=O)cc1 ZINC000276289958 256418793 /nfs/dbraw/zinc/41/87/93/256418793.db2.gz MJOXAKDSLREOTN-HZPDHXFCSA-N -1 1 346.427 2.076 20 0 EEADMM 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Cc1cc(CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)n[nH]1 ZINC000832884422 601681847 /nfs/dbraw/zinc/68/18/47/601681847.db2.gz YQSNUKOJQPTSQI-UHFFFAOYSA-N -1 1 331.357 2.049 20 0 EEADMM O=C([O-])C1(CNC(=O)Nc2cnn(-c3ccncc3)c2)CCCC1 ZINC000833135536 601728542 /nfs/dbraw/zinc/72/85/42/601728542.db2.gz XGMBZXHGRNUZNU-UHFFFAOYSA-N -1 1 329.360 2.034 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@H]1C(=O)[O-] ZINC000828395521 601760629 /nfs/dbraw/zinc/76/06/29/601760629.db2.gz XXIXZIFEILRUNF-BLLLJJGKSA-N -1 1 325.368 2.040 20 0 EEADMM CC(C)N(C(=O)CN1CCSC[C@H]1CC(=O)[O-])C1CCCC1 ZINC000826924841 601891812 /nfs/dbraw/zinc/89/18/12/601891812.db2.gz QPCCHDSDHYXDLJ-CQSZACIVSA-N -1 1 328.478 2.058 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000263224587 601925122 /nfs/dbraw/zinc/92/51/22/601925122.db2.gz ZQCMTVRDUKWLNP-AWEZNQCLSA-N -1 1 330.306 2.441 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000828024737 601941188 /nfs/dbraw/zinc/94/11/88/601941188.db2.gz 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607639262 /nfs/dbraw/zinc/63/92/62/607639262.db2.gz CFUDCOAFHNTHAB-SECBINFHSA-N -1 1 343.840 2.091 20 0 EEADMM CC(C)[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824190991 607639264 /nfs/dbraw/zinc/63/92/64/607639264.db2.gz CFUDCOAFHNTHAB-SECBINFHSA-N -1 1 343.840 2.091 20 0 EEADMM Cc1oc(NC(=O)CN(C)c2ccccc2F)c(-c2nn[n-]n2)c1C ZINC000826341443 607662749 /nfs/dbraw/zinc/66/27/49/607662749.db2.gz HUSVTJQZOHILPB-UHFFFAOYSA-N -1 1 344.350 2.291 20 0 EEADMM CCCCc1nnc(NC(=O)CNC2(C(=O)[O-])CCCCC2)s1 ZINC000820317247 604473735 /nfs/dbraw/zinc/47/37/35/604473735.db2.gz SIWZGKOARMXJST-UHFFFAOYSA-N -1 1 340.449 2.196 20 0 EEADMM Cc1cc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC000832883587 604503060 /nfs/dbraw/zinc/50/30/60/604503060.db2.gz YDIFLSQMDUMOQD-AWEZNQCLSA-N -1 1 330.388 2.369 20 0 EEADMM CC1(C)Cc2cc(S(=O)(=O)Nc3cncc(C(=O)[O-])c3)ccc2O1 ZINC000833562247 604535804 /nfs/dbraw/zinc/53/58/04/604535804.db2.gz OZMUXETWKBNWOZ-UHFFFAOYSA-N -1 1 348.380 2.294 20 0 EEADMM C[C@H](c1ccccn1)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833550431 604565098 /nfs/dbraw/zinc/56/50/98/604565098.db2.gz VWDOSLJPOFTCAE-UKRRQHHQSA-N -1 1 330.384 2.213 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1)C(=O)[O-] ZINC000833544088 604635801 /nfs/dbraw/zinc/63/58/01/604635801.db2.gz WSXKJPDQPKTZJM-ZBFHGGJFSA-N -1 1 346.427 2.125 20 0 EEADMM Cc1cc(NC(=O)CN(CCCC(=O)[O-])Cc2ccccc2)on1 ZINC000832892972 604785800 /nfs/dbraw/zinc/78/58/00/604785800.db2.gz IMEJZMWSOZQAPR-UHFFFAOYSA-N -1 1 331.372 2.289 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000833771119 604975425 /nfs/dbraw/zinc/97/54/25/604975425.db2.gz VWEYJNJVZVJUNB-MRXNPFEDSA-N -1 1 334.347 2.138 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n[nH]1 ZINC000833674066 605020030 /nfs/dbraw/zinc/02/00/30/605020030.db2.gz ORZMFAUVPAYNHZ-SNVBAGLBSA-N -1 1 346.391 2.360 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000833767421 605077412 /nfs/dbraw/zinc/07/74/12/605077412.db2.gz FCDVQHFZYRDPQX-KSZLIROESA-N -1 1 349.390 2.479 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000833626192 605115394 /nfs/dbraw/zinc/11/53/94/605115394.db2.gz YBUNWZUEDJNDTG-TZMCWYRMSA-N -1 1 336.457 2.175 20 0 EEADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CCCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000833629839 605760881 /nfs/dbraw/zinc/76/08/81/605760881.db2.gz NCAANCXINNXOAB-GASCZTMLSA-N -1 1 348.443 2.167 20 0 EEADMM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820138205 606023719 /nfs/dbraw/zinc/02/37/19/606023719.db2.gz RUUPIYPLNGUFHD-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820138205 606023723 /nfs/dbraw/zinc/02/37/23/606023723.db2.gz RUUPIYPLNGUFHD-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nccc2ccccc21 ZINC000823294578 606195494 /nfs/dbraw/zinc/19/54/94/606195494.db2.gz HYNUVSMJXYHVNN-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000822586177 606200645 /nfs/dbraw/zinc/20/06/45/606200645.db2.gz SOARRPHGIYZVJF-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000822586177 606200646 /nfs/dbraw/zinc/20/06/46/606200646.db2.gz SOARRPHGIYZVJF-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Cc1nc([C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000822436420 606215741 /nfs/dbraw/zinc/21/57/41/606215741.db2.gz LVKRJNUWWYDYTR-ZCFIWIBFSA-N -1 1 338.784 2.010 20 0 EEADMM Cc1nc([C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000822436420 606215742 /nfs/dbraw/zinc/21/57/42/606215742.db2.gz LVKRJNUWWYDYTR-ZCFIWIBFSA-N -1 1 338.784 2.010 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820907640 606402348 /nfs/dbraw/zinc/40/23/48/606402348.db2.gz FMYMVKFYWGOELW-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820907640 606402349 /nfs/dbraw/zinc/40/23/49/606402349.db2.gz FMYMVKFYWGOELW-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM Cc1nc([C@@H]2CCCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000822436194 606459481 /nfs/dbraw/zinc/45/94/81/606459481.db2.gz IEZDRRMZCFNWKI-JTQLQIEISA-N -1 1 346.782 2.338 20 0 EEADMM Cc1nc([C@@H]2CCCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000822436194 606459482 /nfs/dbraw/zinc/45/94/82/606459482.db2.gz IEZDRRMZCFNWKI-JTQLQIEISA-N -1 1 346.782 2.338 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccccn1 ZINC000822541840 606489521 /nfs/dbraw/zinc/48/95/21/606489521.db2.gz RAWWUYXWENJRDR-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccccn1 ZINC000822541840 606489522 /nfs/dbraw/zinc/48/95/22/606489522.db2.gz RAWWUYXWENJRDR-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM CCCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821061638 606530517 /nfs/dbraw/zinc/53/05/17/606530517.db2.gz ROXORKCVPACAPS-UHFFFAOYSA-N -1 1 341.375 2.411 20 0 EEADMM CCCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821061638 606530518 /nfs/dbraw/zinc/53/05/18/606530518.db2.gz ROXORKCVPACAPS-UHFFFAOYSA-N -1 1 341.375 2.411 20 0 EEADMM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822341030 606543211 /nfs/dbraw/zinc/54/32/11/606543211.db2.gz RHYMCFFOHHAVCR-LLVKDONJSA-N -1 1 341.396 2.490 20 0 EEADMM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822341030 606543213 /nfs/dbraw/zinc/54/32/13/606543213.db2.gz RHYMCFFOHHAVCR-LLVKDONJSA-N -1 1 341.396 2.490 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(C(C)(C)C)no1 ZINC000820396875 606577000 /nfs/dbraw/zinc/57/70/00/606577000.db2.gz IWKMZBOEHLTBFT-ZETCQYMHSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(C(C)(C)C)no1 ZINC000820396875 606577002 /nfs/dbraw/zinc/57/70/02/606577002.db2.gz IWKMZBOEHLTBFT-ZETCQYMHSA-N -1 1 347.404 2.100 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H]1Cc1ccccc1 ZINC000823484245 606600934 /nfs/dbraw/zinc/60/09/34/606600934.db2.gz UVNDMRUOQHSUHX-LBPRGKRZSA-N -1 1 325.397 2.385 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H]1Cc1ccccc1 ZINC000823484245 606600936 /nfs/dbraw/zinc/60/09/36/606600936.db2.gz UVNDMRUOQHSUHX-LBPRGKRZSA-N -1 1 325.397 2.385 20 0 EEADMM Clc1ccc(N2CCO[C@H](c3ccco3)C2)nc1-c1nnn[n-]1 ZINC000822578049 606633762 /nfs/dbraw/zinc/63/37/62/606633762.db2.gz AXCRFTBCBRNHGL-NSHDSACASA-N -1 1 332.751 2.086 20 0 EEADMM Clc1ccc(N2CCO[C@H](c3ccco3)C2)nc1-c1nn[n-]n1 ZINC000822578049 606633763 /nfs/dbraw/zinc/63/37/63/606633763.db2.gz AXCRFTBCBRNHGL-NSHDSACASA-N -1 1 332.751 2.086 20 0 EEADMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820234585 606823421 /nfs/dbraw/zinc/82/34/21/606823421.db2.gz OMEIDALFGZECHM-ZYHUDNBSSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820234585 606823422 /nfs/dbraw/zinc/82/34/22/606823422.db2.gz OMEIDALFGZECHM-ZYHUDNBSSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](c2ccsc2)O1 ZINC000820774309 607115890 /nfs/dbraw/zinc/11/58/90/607115890.db2.gz AJPCERICYCAEPU-MFKMUULPSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](c2ccsc2)O1 ZINC000820774309 607115892 /nfs/dbraw/zinc/11/58/92/607115892.db2.gz AJPCERICYCAEPU-MFKMUULPSA-N -1 1 328.401 2.290 20 0 EEADMM O=C(OCc1ccc2c[nH]nc2c1)c1sccc1-c1nn[n-]n1 ZINC000823426172 607185609 /nfs/dbraw/zinc/18/56/09/607185609.db2.gz BJOUGYOHKXCCEL-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM CSCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826226751 607897355 /nfs/dbraw/zinc/89/73/55/607897355.db2.gz FUEGBZOGERXAHZ-UHFFFAOYSA-N -1 1 342.384 2.356 20 0 EEADMM CSCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826226751 607897356 /nfs/dbraw/zinc/89/73/56/607897356.db2.gz FUEGBZOGERXAHZ-UHFFFAOYSA-N -1 1 342.384 2.356 20 0 EEADMM COC(=O)C(C)(C)c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826098375 607900813 /nfs/dbraw/zinc/90/08/13/607900813.db2.gz CKQFDSVYDDLUHV-UHFFFAOYSA-N -1 1 338.371 2.456 20 0 EEADMM COC(=O)C(C)(C)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826098375 607900814 /nfs/dbraw/zinc/90/08/14/607900814.db2.gz CKQFDSVYDDLUHV-UHFFFAOYSA-N -1 1 338.371 2.456 20 0 EEADMM COc1cc(CNc2snc(Cl)c2-c2nnn[n-]2)ccc1O ZINC000826180120 608175929 /nfs/dbraw/zinc/17/59/29/608175929.db2.gz SQBOWOQIWPJKJI-UHFFFAOYSA-N -1 1 338.780 2.303 20 0 EEADMM COc1cc(CNc2snc(Cl)c2-c2nn[n-]n2)ccc1O ZINC000826180120 608175930 /nfs/dbraw/zinc/17/59/30/608175930.db2.gz SQBOWOQIWPJKJI-UHFFFAOYSA-N -1 1 338.780 2.303 20 0 EEADMM CCOc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1OCC ZINC000825643549 608390247 /nfs/dbraw/zinc/39/02/47/608390247.db2.gz QAIUCCBFEYCLKL-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1OCC ZINC000825643549 608390249 /nfs/dbraw/zinc/39/02/49/608390249.db2.gz QAIUCCBFEYCLKL-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cc(F)ccc2F)C1 ZINC000969547112 675095904 /nfs/dbraw/zinc/09/59/04/675095904.db2.gz YJYVJTLGAKELMZ-LLVKDONJSA-N -1 1 347.365 2.316 20 0 EEADMM COCCN1CCC[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000073439023 675195823 /nfs/dbraw/zinc/19/58/23/675195823.db2.gz RZJKMHLYSZVUNE-LBPRGKRZSA-N -1 1 335.429 2.331 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cscn1 ZINC000947236770 676034598 /nfs/dbraw/zinc/03/45/98/676034598.db2.gz WUAOBXHTYMBUGI-NEPJUHHUSA-N -1 1 332.429 2.027 20 0 EEADMM CC(C)(C)[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1 ZINC000079587561 675439718 /nfs/dbraw/zinc/43/97/18/675439718.db2.gz DTKCDXXIVFSDAQ-AAEUAGOBSA-N -1 1 337.420 2.376 20 0 EEADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)OCCc2ccccc21 ZINC000891616463 676723684 /nfs/dbraw/zinc/72/36/84/676723684.db2.gz XDCRHEOFPKDZFW-LJQANCHMSA-N -1 1 339.395 2.488 20 0 EEADMM COCc1nc(NCc2ccc(C(=O)N3CCCC3)cc2)cc(=O)[n-]1 ZINC000891679430 676769733 /nfs/dbraw/zinc/76/97/33/676769733.db2.gz UWWVOELMKBXFMW-UHFFFAOYSA-N -1 1 342.399 2.177 20 0 EEADMM C[C@@H](CC(=O)NNC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC000161050399 679454731 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CN(C(=O)[C@]1(C)CC=CCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219215 681719670 /nfs/dbraw/zinc/71/96/70/681719670.db2.gz DRUVAPFMQRVIIB-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM CC(C)n1c(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)n[n-]c1=S ZINC000066640507 681780119 /nfs/dbraw/zinc/78/01/19/681780119.db2.gz PXEAIYNMXIOHKJ-NWDGAFQWSA-N -1 1 342.465 2.112 20 0 EEADMM O=C(COCCc1ccccc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637552 681781290 /nfs/dbraw/zinc/78/12/90/681781290.db2.gz DJAMKOCYFDEUPZ-UHFFFAOYSA-N -1 1 332.429 2.151 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC=CC1 ZINC000983586804 682903613 /nfs/dbraw/zinc/90/36/13/682903613.db2.gz XPXJUZPIXKCSRN-KGLIPLIRSA-N -1 1 343.427 2.301 20 0 EEADMM CCC(CC)(C[N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1 ZINC000866891205 685629655 /nfs/dbraw/zinc/62/96/55/685629655.db2.gz YNSYBGSNQUPPDX-UHFFFAOYSA-N -1 1 332.491 2.306 20 0 EEADMM CCc1cc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)nc(CC)n1 ZINC000895039094 683484289 /nfs/dbraw/zinc/48/42/89/683484289.db2.gz 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O=C([O-])c1occc1CNC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC001602591210 1350552738 /nfs/dbraw/zinc/55/27/38/1350552738.db2.gz WDVQAYJYNPAUTN-CQSZACIVSA-N -1 1 342.351 2.196 20 0 EEADMM O=C([O-])[C@H](NCc1ccnc(Br)c1)c1cccc(O)c1 ZINC001608551443 1351714947 /nfs/dbraw/zinc/71/49/47/1351714947.db2.gz SCLDBEWRPFFHCU-CYBMUJFWSA-N -1 1 337.173 2.465 20 0 EEADMM C[C@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccsc1 ZINC001604331508 1350917823 /nfs/dbraw/zinc/91/78/23/1350917823.db2.gz BEGCGTRXKVNUKZ-QMMMGPOBSA-N -1 1 325.415 2.121 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c(F)c1 ZINC001606317209 1351292106 /nfs/dbraw/zinc/29/21/06/1351292106.db2.gz VFHZTBSUBDKXTL-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c(F)c1 ZINC001606317209 1351292108 /nfs/dbraw/zinc/29/21/08/1351292108.db2.gz VFHZTBSUBDKXTL-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)c2cccnc12 ZINC001301655384 1331307828 /nfs/dbraw/zinc/30/78/28/1331307828.db2.gz RTHQYDQTQQGXPP-OAHLLOKOSA-N -1 1 348.341 2.406 20 0 EEADMM Cc1oc(CNC(=O)N2CCN(C)C[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC001608048267 1351613749 /nfs/dbraw/zinc/61/37/49/1351613749.db2.gz KOPJOSJBVKESRI-ZDUSSCGKSA-N -1 1 337.420 2.158 20 0 EEADMM Cn1cc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1C(=O)[O-] ZINC001608120918 1351628896 /nfs/dbraw/zinc/62/88/96/1351628896.db2.gz UVEJTLYYCWDGBK-UHFFFAOYSA-N -1 1 326.312 2.071 20 0 EEADMM O=S(=O)([N-]C/C=C/c1cccnc1)c1ccc(F)c(F)c1F ZINC001309666641 1331637695 /nfs/dbraw/zinc/63/76/95/1331637695.db2.gz SCWHMYVZLDDOOX-DUXPYHPUSA-N -1 1 328.315 2.491 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1c(Cl)cccc1N1CCCC1 ZINC001608721119 1351749048 /nfs/dbraw/zinc/74/90/48/1351749048.db2.gz XKEILPNPPXAMEG-UHFFFAOYSA-N -1 1 340.807 2.302 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCC(F)(F)C2)oc1Cl ZINC001608860271 1351780265 /nfs/dbraw/zinc/78/02/65/1351780265.db2.gz CWDUSJXLOOLNDL-YFKPBYRVSA-N -1 1 329.708 2.097 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC2CC(Cl)(Cl)C2)oc1Cl ZINC001608860231 1351780462 /nfs/dbraw/zinc/78/04/62/1351780462.db2.gz BCROHUSRRGQZJT-UHFFFAOYSA-N -1 1 348.591 2.246 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)c(F)c1 ZINC001608883903 1351786212 /nfs/dbraw/zinc/78/62/12/1351786212.db2.gz LKFYIZXBIVNNQA-MRXNPFEDSA-N -1 1 328.343 2.027 20 0 EEADMM COC(=O)CN(CC(C)C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC001319082093 1332647261 /nfs/dbraw/zinc/64/72/61/1332647261.db2.gz NKCKUQDJQGLUDE-UHFFFAOYSA-N -1 1 335.433 2.091 20 0 EEADMM O=C([O-])c1cccc(OCCN[C@@H](CO)c2cc(F)ccc2F)c1 ZINC001608937355 1351798611 /nfs/dbraw/zinc/79/86/11/1351798611.db2.gz RPMXNPNCRPGERW-INIZCTEOSA-N -1 1 337.322 2.365 20 0 EEADMM O=C([N-]c1nnc(-c2ccncc2)s1)c1cnn(-c2ccccc2)n1 ZINC001319776740 1332765269 /nfs/dbraw/zinc/76/52/69/1332765269.db2.gz KVXYFHXTHLGUED-UHFFFAOYSA-N -1 1 349.379 2.433 20 0 EEADMM O=C([O-])c1ccccc1-c1ccc(CN[C@@]2(CCO)CCOC2)o1 ZINC001608942950 1351799714 /nfs/dbraw/zinc/79/97/14/1351799714.db2.gz CJGBYKDLHNFFJK-SFHVURJKSA-N -1 1 331.368 2.276 20 0 EEADMM O=C([O-])c1cnc(CN[C@@H]2CCN(c3ccc(F)cc3F)C2)s1 ZINC001608972116 1351805214 /nfs/dbraw/zinc/80/52/14/1351805214.db2.gz LTRZMQZLTQWVHI-SNVBAGLBSA-N -1 1 339.367 2.488 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC001608980642 1351807572 /nfs/dbraw/zinc/80/75/72/1351807572.db2.gz JKYVBAVOZHNGNQ-UHFFFAOYSA-N -1 1 341.415 2.087 20 0 EEADMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cc(C)n(C)n3)n2)cc1 ZINC001320858831 1332966506 /nfs/dbraw/zinc/96/65/06/1332966506.db2.gz LRUIFHAYSHPJPK-UHFFFAOYSA-N -1 1 345.428 2.050 20 0 EEADMM CCc1ccc(-c2nc(S(=O)(=O)Cc3cc(C)n(C)n3)n[n-]2)cc1 ZINC001320858831 1332966508 /nfs/dbraw/zinc/96/65/08/1332966508.db2.gz LRUIFHAYSHPJPK-UHFFFAOYSA-N -1 1 345.428 2.050 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@]2(F)CCOC2)c(-c2nnn[n-]2)s1 ZINC001609080447 1351833177 /nfs/dbraw/zinc/83/31/77/1351833177.db2.gz GQZYOEGUQVLOBH-AWEZNQCLSA-N -1 1 339.396 2.293 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@]2(F)CCOC2)c(-c2nn[n-]n2)s1 ZINC001609080447 1351833181 /nfs/dbraw/zinc/83/31/81/1351833181.db2.gz GQZYOEGUQVLOBH-AWEZNQCLSA-N -1 1 339.396 2.293 20 0 EEADMM CC(C)(C)c1ccc([C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001609081174 1351833555 /nfs/dbraw/zinc/83/35/55/1351833555.db2.gz YWCARDMKPCYRKC-AWEZNQCLSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)(C)c1ccc([C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001609081174 1351833560 /nfs/dbraw/zinc/83/35/60/1351833560.db2.gz YWCARDMKPCYRKC-AWEZNQCLSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)(CC(=O)OCc1cccnc1-c1nnn[n-]1)C(F)(F)F ZINC001609082860 1351834346 /nfs/dbraw/zinc/83/43/46/1351834346.db2.gz IQRVJSGVFVTVDF-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CC(C)(CC(=O)OCc1cccnc1-c1nn[n-]n1)C(F)(F)F ZINC001609082860 1351834352 /nfs/dbraw/zinc/83/43/52/1351834352.db2.gz IQRVJSGVFVTVDF-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)[nH]n1 ZINC001324179360 1333628862 /nfs/dbraw/zinc/62/88/62/1333628862.db2.gz TYVIHSDSUIFLCO-SNVBAGLBSA-N -1 1 348.432 2.396 20 0 EEADMM C[C@@H](SCc1nc(-c2nnn[n-]2)cs1)C(=O)OC(C)(C)C ZINC001609137705 1351857579 /nfs/dbraw/zinc/85/75/79/1351857579.db2.gz IYRNZBDBHYJEEH-SSDOTTSWSA-N -1 1 327.435 2.287 20 0 EEADMM C[C@@H](SCc1nc(-c2nn[n-]n2)cs1)C(=O)OC(C)(C)C ZINC001609137705 1351857583 /nfs/dbraw/zinc/85/75/83/1351857583.db2.gz IYRNZBDBHYJEEH-SSDOTTSWSA-N -1 1 327.435 2.287 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cnc(Cl)cc1Cl ZINC001324860323 1333775498 /nfs/dbraw/zinc/77/54/98/1333775498.db2.gz UCHFDTRFBAVDET-IUCAKERBSA-N -1 1 339.244 2.218 20 0 EEADMM CC(C)C[C@@H](C(N)=O)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325243829 1333852695 /nfs/dbraw/zinc/85/26/95/1333852695.db2.gz FNUITMFZUCNGGT-VIFPVBQESA-N -1 1 329.194 2.241 20 0 EEADMM CCCNc1nnc(SCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001609216254 1351896788 /nfs/dbraw/zinc/89/67/88/1351896788.db2.gz SXYLCEDJPXAOOT-UHFFFAOYSA-N -1 1 340.463 2.289 20 0 EEADMM CCCNc1nnc(SCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001609216254 1351896794 /nfs/dbraw/zinc/89/67/94/1351896794.db2.gz SXYLCEDJPXAOOT-UHFFFAOYSA-N -1 1 340.463 2.289 20 0 EEADMM CO[C@@H]1Cc2ccc(Nc3snc(C)c3-c3nn[n-]n3)cc2C1 ZINC001609315892 1351930171 /nfs/dbraw/zinc/93/01/71/1351930171.db2.gz WKVDWVLQCCCYLS-GFCCVEGCSA-N -1 1 328.401 2.489 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)Oc2ccccc2C)n1 ZINC001609392426 1351957580 /nfs/dbraw/zinc/95/75/80/1351957580.db2.gz PRKOMLHNHGQOBC-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)Oc2ccccc2C)n1 ZINC001609392426 1351957582 /nfs/dbraw/zinc/95/75/82/1351957582.db2.gz PRKOMLHNHGQOBC-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1nsc(NCc2nc(C)c3ccccc3n2)c1-c1nn[n-]n1 ZINC001609466245 1351987780 /nfs/dbraw/zinc/98/77/80/1351987780.db2.gz KUTSTACVZADZOR-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1nsc(Sc2nnc(NC(C)C)s2)c1-c1nnn[n-]1 ZINC001609466251 1351987800 /nfs/dbraw/zinc/98/78/00/1351987800.db2.gz LAHQDGRVIODHEB-UHFFFAOYSA-N -1 1 340.463 2.455 20 0 EEADMM Cc1nsc(Sc2nnc(NC(C)C)s2)c1-c1nn[n-]n1 ZINC001609466251 1351987805 /nfs/dbraw/zinc/98/78/05/1351987805.db2.gz LAHQDGRVIODHEB-UHFFFAOYSA-N -1 1 340.463 2.455 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC001609467907 1351988746 /nfs/dbraw/zinc/98/87/46/1351988746.db2.gz ATWBOAQUUSQEBT-UHFFFAOYSA-N -1 1 343.391 2.343 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC001609467907 1351988750 /nfs/dbraw/zinc/98/87/50/1351988750.db2.gz ATWBOAQUUSQEBT-UHFFFAOYSA-N -1 1 343.391 2.343 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC12CCC2 ZINC001609483688 1351994251 /nfs/dbraw/zinc/99/42/51/1351994251.db2.gz QMCMRSILADNLPK-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001609483688 1351994253 /nfs/dbraw/zinc/99/42/53/1351994253.db2.gz QMCMRSILADNLPK-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC12CCSCC2 ZINC001609561301 1352016772 /nfs/dbraw/zinc/01/67/72/1352016772.db2.gz VNNLQTAHWSJCEK-JTQLQIEISA-N -1 1 331.401 2.044 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CC(F)(F)F)C1CCCC1 ZINC001609581488 1352026225 /nfs/dbraw/zinc/02/62/25/1352026225.db2.gz MCVUDTUVHJNHBM-UHFFFAOYSA-N -1 1 329.282 2.407 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CC(F)(F)F)C1CCCC1 ZINC001609581488 1352026230 /nfs/dbraw/zinc/02/62/30/1352026230.db2.gz MCVUDTUVHJNHBM-UHFFFAOYSA-N -1 1 329.282 2.407 20 0 EEADMM c1sc(COc2ccc([C@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001609613854 1352039123 /nfs/dbraw/zinc/03/91/23/1352039123.db2.gz FYCHMFCOMLHHRK-NSHDSACASA-N -1 1 329.385 2.406 20 0 EEADMM c1sc(COc2ccc([C@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001609613854 1352039127 /nfs/dbraw/zinc/03/91/27/1352039127.db2.gz FYCHMFCOMLHHRK-NSHDSACASA-N -1 1 329.385 2.406 20 0 EEADMM c1sc(CN2CCC(Nc3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001609617270 1352040634 /nfs/dbraw/zinc/04/06/34/1352040634.db2.gz GMEKKKLAFFVXMI-UHFFFAOYSA-N -1 1 341.444 2.400 20 0 EEADMM CC(C)c1cccc(OCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001609720774 1352068338 /nfs/dbraw/zinc/06/83/38/1352068338.db2.gz KSUJHBFAALUMSC-OAHLLOKOSA-N -1 1 348.443 2.196 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)c1[nH]nc2c1CCCCC2)c1ccncc1 ZINC001609730058 1352071372 /nfs/dbraw/zinc/07/13/72/1352071372.db2.gz JTWXIEVWCFXLGR-GOSISDBHSA-N -1 1 342.399 2.194 20 0 EEADMM CCN(Cc1ccc2ccccc2c1)c1nnc(Cc2nnn[n-]2)n1C ZINC001338121734 1336796437 /nfs/dbraw/zinc/79/64/37/1336796437.db2.gz DIWGUCKKYAHSOE-UHFFFAOYSA-N -1 1 348.414 2.099 20 0 EEADMM CCN(Cc1ccc2ccccc2c1)c1nnc(Cc2nn[n-]n2)n1C ZINC001338121734 1336796439 /nfs/dbraw/zinc/79/64/39/1336796439.db2.gz DIWGUCKKYAHSOE-UHFFFAOYSA-N -1 1 348.414 2.099 20 0 EEADMM Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])c(C)c1 ZINC001416659264 1337121031 /nfs/dbraw/zinc/12/10/31/1337121031.db2.gz VZQBGAOJWNHJMO-UHFFFAOYSA-N -1 1 341.411 2.248 20 0 EEADMM Cc1cc(C)cc(N(C)c2nnc(Cc3nnn[n-]3)n2CC(C)C)c1 ZINC001343582062 1337338637 /nfs/dbraw/zinc/33/86/37/1337338637.db2.gz MCKQMXUFKLSDJS-UHFFFAOYSA-N -1 1 340.435 2.423 20 0 EEADMM Cc1cc(C)cc(N(C)c2nnc(Cc3nn[n-]n3)n2CC(C)C)c1 ZINC001343582062 1337338640 /nfs/dbraw/zinc/33/86/40/1337338640.db2.gz MCKQMXUFKLSDJS-UHFFFAOYSA-N -1 1 340.435 2.423 20 0 EEADMM CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001610059100 1352151974 /nfs/dbraw/zinc/15/19/74/1352151974.db2.gz ROVDUYITFXEOLT-UHFFFAOYSA-N -1 1 347.396 2.415 20 0 EEADMM CCc1nc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)sc1C(=O)[O-] ZINC001610073176 1352156119 /nfs/dbraw/zinc/15/61/19/1352156119.db2.gz XGABVVOPGYNMJH-UHFFFAOYSA-N -1 1 343.368 2.441 20 0 EEADMM Cc1ccccc1-c1nc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cs1 ZINC001352596525 1337993467 /nfs/dbraw/zinc/99/34/67/1337993467.db2.gz QFLHUONWOVPVQV-NSHDSACASA-N -1 1 340.412 2.261 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001610235365 1352191832 /nfs/dbraw/zinc/19/18/32/1352191832.db2.gz ILJIVLFKEFACEP-TURNYIBQSA-N -1 1 345.399 2.183 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(O)c1 ZINC001610343099 1352208510 /nfs/dbraw/zinc/20/85/10/1352208510.db2.gz YMXQKBRSOIQXED-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM Cc1ccccc1C(C)(C)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610529820 1352239755 /nfs/dbraw/zinc/23/97/55/1352239755.db2.gz RRYBLMVPRVJMJI-HNNXBMFYSA-N -1 1 332.444 2.280 20 0 EEADMM Cc1nc([C@@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)n[nH]1 ZINC001610555466 1352244258 /nfs/dbraw/zinc/24/42/58/1352244258.db2.gz ZVCPPOOQHFCTSN-SSDOTTSWSA-N -1 1 327.797 2.305 20 0 EEADMM Cc1nnc([C@@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)[nH]1 ZINC001610555466 1352244261 /nfs/dbraw/zinc/24/42/61/1352244261.db2.gz ZVCPPOOQHFCTSN-SSDOTTSWSA-N -1 1 327.797 2.305 20 0 EEADMM Cn1nccc1[C@@H](NCc1cc(F)cc(Br)c1)C(=O)[O-] ZINC001610615657 1352254236 /nfs/dbraw/zinc/25/42/36/1352254236.db2.gz BVMNVJDEIYBEJA-GFCCVEGCSA-N -1 1 342.168 2.237 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC001610698691 1352261665 /nfs/dbraw/zinc/26/16/65/1352261665.db2.gz FGMKOSLBLBTSTA-UHFFFAOYSA-N -1 1 335.751 2.355 20 0 EEADMM O=C([O-])C1=NO[C@H](CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)C1 ZINC001610731461 1352265841 /nfs/dbraw/zinc/26/58/41/1352265841.db2.gz GDRKKPWLKXBUGW-VIFPVBQESA-N -1 1 340.311 2.072 20 0 EEADMM CCCCC(=O)N(CC)[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001428650888 1339616670 /nfs/dbraw/zinc/61/66/70/1339616670.db2.gz PHMLQIZLRQEHCH-GFCCVEGCSA-N -1 1 348.447 2.217 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)CC1 ZINC001610805092 1352277993 /nfs/dbraw/zinc/27/79/93/1352277993.db2.gz DAMFZQMHBOLQSQ-WKILWMFISA-N -1 1 345.443 2.053 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCSC3(CCOCC3)C2)c1 ZINC001610845048 1352284580 /nfs/dbraw/zinc/28/45/80/1352284580.db2.gz XXGYBRNLZMLHJK-UHFFFAOYSA-N -1 1 347.440 2.290 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)C1 ZINC001429957292 1340069105 /nfs/dbraw/zinc/06/91/05/1340069105.db2.gz VETCUFCIUFWDAW-ZIAGYGMSSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCC1(C)C ZINC001430577980 1340260445 /nfs/dbraw/zinc/26/04/45/1340260445.db2.gz JAEQYGVYVZXMSU-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cc(F)cc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001431108397 1340453696 /nfs/dbraw/zinc/45/36/96/1340453696.db2.gz YYEOFGPBDGJMDZ-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM COC(=O)[C@@H](C)c1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001579433542 1344381728 /nfs/dbraw/zinc/38/17/28/1344381728.db2.gz JLONIDKSDCTCKY-NSHDSACASA-N -1 1 338.371 2.150 20 0 EEADMM COC(=O)[C@@H](C)c1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001579433542 1344381732 /nfs/dbraw/zinc/38/17/32/1344381732.db2.gz JLONIDKSDCTCKY-NSHDSACASA-N -1 1 338.371 2.150 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001579451150 1344383486 /nfs/dbraw/zinc/38/34/86/1344383486.db2.gz LQRAYKRURRQXEW-NKWVEPMBSA-N -1 1 342.812 2.120 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001579451150 1344383489 /nfs/dbraw/zinc/38/34/89/1344383489.db2.gz LQRAYKRURRQXEW-NKWVEPMBSA-N -1 1 342.812 2.120 20 0 EEADMM COc1ccc(Br)cc1Oc1ccnc(-c2nn[n-]n2)n1 ZINC001579969595 1344441823 /nfs/dbraw/zinc/44/18/23/1344441823.db2.gz MYRIXZBAKLFRDD-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C ZINC001579988224 1344443549 /nfs/dbraw/zinc/44/35/49/1344443549.db2.gz AYYBYIKEPQIDSK-UHFFFAOYSA-N -1 1 325.328 2.142 20 0 EEADMM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001579993223 1344445141 /nfs/dbraw/zinc/44/51/41/1344445141.db2.gz WLPJAVGEPKGLAQ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001579993223 1344445142 /nfs/dbraw/zinc/44/51/42/1344445142.db2.gz WLPJAVGEPKGLAQ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccc(CCCC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001579996228 1344446323 /nfs/dbraw/zinc/44/63/23/1344446323.db2.gz RJWXEHNUMFJBCB-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM COc1ccc(CCCC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001579996228 1344446324 /nfs/dbraw/zinc/44/63/24/1344446324.db2.gz RJWXEHNUMFJBCB-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM COc1csc(C(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001580120161 1344475922 /nfs/dbraw/zinc/47/59/22/1344475922.db2.gz TVQICYUEJFWCLG-UHFFFAOYSA-N -1 1 342.793 2.299 20 0 EEADMM COc1csc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001580120161 1344475924 /nfs/dbraw/zinc/47/59/24/1344475924.db2.gz TVQICYUEJFWCLG-UHFFFAOYSA-N -1 1 342.793 2.299 20 0 EEADMM Cc1cccc(Cl)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581241059 1344605095 /nfs/dbraw/zinc/60/50/95/1344605095.db2.gz UMFMRXAMTDLWDR-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1cccc(Cl)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581241059 1344605099 /nfs/dbraw/zinc/60/50/99/1344605099.db2.gz UMFMRXAMTDLWDR-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(N(C)C)c(F)c2)c1-c1nnn[n-]1 ZINC001581687023 1344654342 /nfs/dbraw/zinc/65/43/42/1344654342.db2.gz ZDPAHFVAGLXLEW-UHFFFAOYSA-N -1 1 347.379 2.089 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(N(C)C)c(F)c2)c1-c1nn[n-]n1 ZINC001581687023 1344654344 /nfs/dbraw/zinc/65/43/44/1344654344.db2.gz ZDPAHFVAGLXLEW-UHFFFAOYSA-N -1 1 347.379 2.089 20 0 EEADMM O=S(=O)(Oc1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582798887 1344792164 /nfs/dbraw/zinc/79/21/64/1344792164.db2.gz JDGNQHBEPBVPEE-UHFFFAOYSA-N -1 1 348.365 2.442 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2c[nH]cn2)cc1 ZINC001586106274 1348840778 /nfs/dbraw/zinc/84/07/78/1348840778.db2.gz XGBRKGYGXAIJOA-INIZCTEOSA-N -1 1 345.366 2.109 20 0 EEADMM CC(=O)SCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588888554 1348940834 /nfs/dbraw/zinc/94/08/34/1348940834.db2.gz YQFSHAHDFZFCON-UHFFFAOYSA-N -1 1 337.405 2.030 20 0 EEADMM CC(=O)SCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588888554 1348940835 /nfs/dbraw/zinc/94/08/35/1348940835.db2.gz YQFSHAHDFZFCON-UHFFFAOYSA-N -1 1 337.405 2.030 20 0 EEADMM CC(=O)Nc1cccc(CNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001588881696 1348941381 /nfs/dbraw/zinc/94/13/81/1348941381.db2.gz CKQWKPNFTPZCNJ-UHFFFAOYSA-N -1 1 329.389 2.202 20 0 EEADMM C[C@H](C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C1CCCC1 ZINC001589025484 1348952897 /nfs/dbraw/zinc/95/28/97/1348952897.db2.gz WSUBGTRYYBPSFK-JTQLQIEISA-N -1 1 342.403 2.099 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001589095748 1348958328 /nfs/dbraw/zinc/95/83/28/1348958328.db2.gz MRUPKQWCEKRTQD-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589095748 1348958331 /nfs/dbraw/zinc/95/83/31/1348958331.db2.gz MRUPKQWCEKRTQD-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001589098270 1348958498 /nfs/dbraw/zinc/95/84/98/1348958498.db2.gz ALHXNAAWRZYQPI-WCQYABFASA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001589098270 1348958499 /nfs/dbraw/zinc/95/84/99/1348958499.db2.gz ALHXNAAWRZYQPI-WCQYABFASA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001589142027 1348964198 /nfs/dbraw/zinc/96/41/98/1348964198.db2.gz XOXNOWQLQDUIOC-UHFFFAOYSA-N -1 1 337.430 2.158 20 0 EEADMM CC(C)(C)c1ccc(-c2nn[nH]n2)c(N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC001589222055 1348971375 /nfs/dbraw/zinc/97/13/75/1348971375.db2.gz UJQUWZWZQSHTTM-LBPRGKRZSA-N -1 1 347.442 2.405 20 0 EEADMM CC(C)Cn1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001589670214 1349017566 /nfs/dbraw/zinc/01/75/66/1349017566.db2.gz AOJQRJSMFRLOLZ-UHFFFAOYSA-N -1 1 347.329 2.250 20 0 EEADMM CC(C)Cn1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001589670214 1349017570 /nfs/dbraw/zinc/01/75/70/1349017570.db2.gz AOJQRJSMFRLOLZ-UHFFFAOYSA-N -1 1 347.329 2.250 20 0 EEADMM CC(C)n1cc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2n1 ZINC001589782443 1349040029 /nfs/dbraw/zinc/04/00/29/1349040029.db2.gz UIVNYFQFCBXGAZ-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1cc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2n1 ZINC001589782443 1349040034 /nfs/dbraw/zinc/04/00/34/1349040034.db2.gz UIVNYFQFCBXGAZ-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM C[C@H](C1CC1)N(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589787547 1349042814 /nfs/dbraw/zinc/04/28/14/1349042814.db2.gz UAYJZHZPVOZCTR-RXMQYKEDSA-N -1 1 327.801 2.239 20 0 EEADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001589941159 1349070666 /nfs/dbraw/zinc/07/06/66/1349070666.db2.gz OIVMBNUIIUDVGX-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM CC1(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)CC=CC1 ZINC001590070821 1349136313 /nfs/dbraw/zinc/13/63/13/1349136313.db2.gz KKOGEJXBYIMUGD-UHFFFAOYSA-N -1 1 349.192 2.319 20 0 EEADMM CC1(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)CC=CC1 ZINC001590070821 1349136317 /nfs/dbraw/zinc/13/63/17/1349136317.db2.gz KKOGEJXBYIMUGD-UHFFFAOYSA-N -1 1 349.192 2.319 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590074377 1349138399 /nfs/dbraw/zinc/13/83/99/1349138399.db2.gz SZFFUMHNOJMDQM-NSHDSACASA-N -1 1 331.323 2.343 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590074377 1349138408 /nfs/dbraw/zinc/13/84/08/1349138408.db2.gz SZFFUMHNOJMDQM-NSHDSACASA-N -1 1 331.323 2.343 20 0 EEADMM CC1(C)C[C@H]1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590087903 1349148036 /nfs/dbraw/zinc/14/80/36/1349148036.db2.gz AFXQTRKKDFZRJU-YFKPBYRVSA-N -1 1 327.801 2.144 20 0 EEADMM CC1(C)CC[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590090777 1349148469 /nfs/dbraw/zinc/14/84/69/1349148469.db2.gz OSMLZDFEJUVLSR-SNVBAGLBSA-N -1 1 325.376 2.179 20 0 EEADMM CC1(C)CC[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590090777 1349148475 /nfs/dbraw/zinc/14/84/75/1349148475.db2.gz OSMLZDFEJUVLSR-SNVBAGLBSA-N -1 1 325.376 2.179 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nnn[n-]2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001590108588 1349157983 /nfs/dbraw/zinc/15/79/83/1349157983.db2.gz ZHZPKBKVNRZXBW-VBHSOAQHSA-N -1 1 340.431 2.436 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nn[n-]n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001590108588 1349157990 /nfs/dbraw/zinc/15/79/90/1349157990.db2.gz ZHZPKBKVNRZXBW-VBHSOAQHSA-N -1 1 340.431 2.436 20 0 EEADMM C[C@@H]1CC(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186302 1349187951 /nfs/dbraw/zinc/18/79/51/1349187951.db2.gz CACVWZRQTHXUFA-IUCAKERBSA-N -1 1 329.408 2.478 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590226599 1349211126 /nfs/dbraw/zinc/21/11/26/1349211126.db2.gz QUQLDPVJZJCCJY-BNOWGMLFSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590226599 1349211134 /nfs/dbraw/zinc/21/11/34/1349211134.db2.gz QUQLDPVJZJCCJY-BNOWGMLFSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274430 1349243204 /nfs/dbraw/zinc/24/32/04/1349243204.db2.gz KOCRLDDJJGXPGY-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274430 1349243207 /nfs/dbraw/zinc/24/32/07/1349243207.db2.gz KOCRLDDJJGXPGY-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccccc2)O1 ZINC001590298745 1349251576 /nfs/dbraw/zinc/25/15/76/1349251576.db2.gz NUSQQJMWVFKUBW-NHYWBVRUSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccccc2)O1 ZINC001590298745 1349251580 /nfs/dbraw/zinc/25/15/80/1349251580.db2.gz NUSQQJMWVFKUBW-NHYWBVRUSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2cccc(F)c2O1 ZINC001590300966 1349252180 /nfs/dbraw/zinc/25/21/80/1349252180.db2.gz MKRKRZOPVGWBAO-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)c2cccc(F)c2O1 ZINC001590308796 1349255982 /nfs/dbraw/zinc/25/59/82/1349255982.db2.gz TXINVGOOSDFZLN-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)c2cccc(F)c2O1 ZINC001590308796 1349255985 /nfs/dbraw/zinc/25/59/85/1349255985.db2.gz TXINVGOOSDFZLN-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@@H]1COc2ccccc2CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590329394 1349268349 /nfs/dbraw/zinc/26/83/49/1349268349.db2.gz NGOQIDJTOCWFGX-SNVBAGLBSA-N -1 1 341.396 2.352 20 0 EEADMM C[C@@H]1c2cccn2CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590336933 1349273218 /nfs/dbraw/zinc/27/32/18/1349273218.db2.gz FSMAKKOAZNLKLO-SECBINFHSA-N -1 1 344.325 2.163 20 0 EEADMM C[C@@H]1c2cccn2CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590336933 1349273226 /nfs/dbraw/zinc/27/32/26/1349273226.db2.gz FSMAKKOAZNLKLO-SECBINFHSA-N -1 1 344.325 2.163 20 0 EEADMM C/C=C(/C)C(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590356586 1349284394 /nfs/dbraw/zinc/28/43/94/1349284394.db2.gz UZESGUBFCKCFQZ-BSKOKIOFSA-N -1 1 349.464 2.295 20 0 EEADMM CC/C(C)=C\C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590386577 1349297971 /nfs/dbraw/zinc/29/79/71/1349297971.db2.gz VSBLJZRJHPDFSI-DVBBHNHCSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@H](C)Oc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccn1 ZINC001590417525 1349313507 /nfs/dbraw/zinc/31/35/07/1349313507.db2.gz XPLIRFQLSNSJCW-QMMMGPOBSA-N -1 1 345.388 2.148 20 0 EEADMM CC[C@H](C)Oc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccn1 ZINC001590417525 1349313513 /nfs/dbraw/zinc/31/35/13/1349313513.db2.gz XPLIRFQLSNSJCW-QMMMGPOBSA-N -1 1 345.388 2.148 20 0 EEADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590439633 1349325136 /nfs/dbraw/zinc/32/51/36/1349325136.db2.gz RSCJVEBBTSHJQL-OAHLLOKOSA-N -1 1 336.399 2.403 20 0 EEADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590439633 1349325142 /nfs/dbraw/zinc/32/51/42/1349325142.db2.gz RSCJVEBBTSHJQL-OAHLLOKOSA-N -1 1 336.399 2.403 20 0 EEADMM CCC(CC)c1cc(CNCc2cccc(-c3nn[n-]n3)n2)on1 ZINC001590436866 1349325162 /nfs/dbraw/zinc/32/51/62/1349325162.db2.gz UFNDDQPWSFJDHW-UHFFFAOYSA-N -1 1 327.392 2.443 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)c1ccccc1 ZINC001590460252 1349336950 /nfs/dbraw/zinc/33/69/50/1349336950.db2.gz QYQHLDRVMOBAMY-RISCZKNCSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1ccccc1 ZINC001590460252 1349336954 /nfs/dbraw/zinc/33/69/54/1349336954.db2.gz QYQHLDRVMOBAMY-RISCZKNCSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)c1ccccc1 ZINC001590460253 1349337416 /nfs/dbraw/zinc/33/74/16/1349337416.db2.gz QYQHLDRVMOBAMY-SMDDNHRTSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)c1ccccc1 ZINC001590460253 1349337424 /nfs/dbraw/zinc/33/74/24/1349337424.db2.gz QYQHLDRVMOBAMY-SMDDNHRTSA-N -1 1 343.412 2.170 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001590829011 1349402630 /nfs/dbraw/zinc/40/26/30/1349402630.db2.gz UBUBERHIIKTOGV-UHFFFAOYSA-N -1 1 330.779 2.348 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001590829011 1349402641 /nfs/dbraw/zinc/40/26/41/1349402641.db2.gz UBUBERHIIKTOGV-UHFFFAOYSA-N -1 1 330.779 2.348 20 0 EEADMM CCc1nc(NCCOc2cc(C)cc(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590922590 1349413076 /nfs/dbraw/zinc/41/30/76/1349413076.db2.gz PGNGNIXNUHPAJE-UHFFFAOYSA-N -1 1 339.403 2.327 20 0 EEADMM CCc1nc(NCCOc2cc(C)cc(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590922590 1349413080 /nfs/dbraw/zinc/41/30/80/1349413080.db2.gz PGNGNIXNUHPAJE-UHFFFAOYSA-N -1 1 339.403 2.327 20 0 EEADMM CCc1nc(NCc2ccc(OC(C)C)nc2)cc(-c2nnn[n-]2)n1 ZINC001590922979 1349414145 /nfs/dbraw/zinc/41/41/45/1349414145.db2.gz FNQUWQNHDZXAOY-UHFFFAOYSA-N -1 1 340.391 2.013 20 0 EEADMM CCc1nc(NCc2ccc(OC(C)C)nc2)cc(-c2nn[n-]n2)n1 ZINC001590922979 1349414154 /nfs/dbraw/zinc/41/41/54/1349414154.db2.gz FNQUWQNHDZXAOY-UHFFFAOYSA-N -1 1 340.391 2.013 20 0 EEADMM CCn1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001590959229 1349423160 /nfs/dbraw/zinc/42/31/60/1349423160.db2.gz VIKFYPBTMOUCHQ-UHFFFAOYSA-N -1 1 349.398 2.442 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001590975904 1349427213 /nfs/dbraw/zinc/42/72/13/1349427213.db2.gz IEMVRYWYYPZJMU-UHFFFAOYSA-N -1 1 338.371 2.445 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001590975904 1349427214 /nfs/dbraw/zinc/42/72/14/1349427214.db2.gz IEMVRYWYYPZJMU-UHFFFAOYSA-N -1 1 338.371 2.445 20 0 EEADMM CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590993612 1349428527 /nfs/dbraw/zinc/42/85/27/1349428527.db2.gz ITMYRSMFOMHJIJ-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CN(C(=O)c1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993612 1349428531 /nfs/dbraw/zinc/42/85/31/1349428531.db2.gz ITMYRSMFOMHJIJ-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CN(C)c1cccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001591034506 1349433005 /nfs/dbraw/zinc/43/30/05/1349433005.db2.gz AWKKMIIVUBMRHV-UHFFFAOYSA-N -1 1 341.371 2.202 20 0 EEADMM CN(C)c1cccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001591034506 1349433008 /nfs/dbraw/zinc/43/30/08/1349433008.db2.gz AWKKMIIVUBMRHV-UHFFFAOYSA-N -1 1 341.371 2.202 20 0 EEADMM CO[C@@H](C)c1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)s1 ZINC001591324813 1349461155 /nfs/dbraw/zinc/46/11/55/1349461155.db2.gz FOINLOBDRMWMRJ-QMMMGPOBSA-N -1 1 349.372 2.289 20 0 EEADMM CO[C@@H](C)c1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)s1 ZINC001591324813 1349461166 /nfs/dbraw/zinc/46/11/66/1349461166.db2.gz FOINLOBDRMWMRJ-QMMMGPOBSA-N -1 1 349.372 2.289 20 0 EEADMM COC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001591381992 1349476510 /nfs/dbraw/zinc/47/65/10/1349476510.db2.gz AJPHPSGYMJAPLA-HNNXBMFYSA-N -1 1 344.806 2.445 20 0 EEADMM COC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001591381992 1349476517 /nfs/dbraw/zinc/47/65/17/1349476517.db2.gz AJPHPSGYMJAPLA-HNNXBMFYSA-N -1 1 344.806 2.445 20 0 EEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591384265 1349477730 /nfs/dbraw/zinc/47/77/30/1349477730.db2.gz PYLQJLRWWVGNAQ-ZDUSSCGKSA-N -1 1 345.794 2.134 20 0 EEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591384265 1349477736 /nfs/dbraw/zinc/47/77/36/1349477736.db2.gz PYLQJLRWWVGNAQ-ZDUSSCGKSA-N -1 1 345.794 2.134 20 0 EEADMM COCCOc1ccccc1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001591445686 1349485063 /nfs/dbraw/zinc/48/50/63/1349485063.db2.gz DHFPDMQTVOSFGO-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1ccccc1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001591445686 1349485074 /nfs/dbraw/zinc/48/50/74/1349485074.db2.gz DHFPDMQTVOSFGO-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM CSc1cccnc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591716904 1349534057 /nfs/dbraw/zinc/53/40/57/1349534057.db2.gz DIUCNVMVQIJPIN-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM Cc1ccc(-c2nc(CNc3cnc(-c4nnn[n-]4)cn3)co2)cc1 ZINC001592073524 1349588776 /nfs/dbraw/zinc/58/87/76/1349588776.db2.gz DCZFSAYPIPLDIV-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1ccc(-c2nc(CNc3cnc(-c4nn[n-]n4)cn3)co2)cc1 ZINC001592073524 1349588777 /nfs/dbraw/zinc/58/87/77/1349588777.db2.gz DCZFSAYPIPLDIV-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1ncc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC001592410118 1349628386 /nfs/dbraw/zinc/62/83/86/1349628386.db2.gz CLPKDPBSXZKMPG-UHFFFAOYSA-N -1 1 342.746 2.180 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccsc2)c1-c1nnn[n-]1 ZINC001592483056 1349636875 /nfs/dbraw/zinc/63/68/75/1349636875.db2.gz AFJHKCXUOPNDMC-UHFFFAOYSA-N -1 1 335.418 2.057 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccsc2)c1-c1nn[n-]n1 ZINC001592483056 1349636877 /nfs/dbraw/zinc/63/68/77/1349636877.db2.gz AFJHKCXUOPNDMC-UHFFFAOYSA-N -1 1 335.418 2.057 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC001592497098 1349637214 /nfs/dbraw/zinc/63/72/14/1349637214.db2.gz UZSISWJUIUHXLE-YUMQZZPRSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC001592497098 1349637215 /nfs/dbraw/zinc/63/72/15/1349637215.db2.gz UZSISWJUIUHXLE-YUMQZZPRSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cccc(Cl)c1 ZINC001592501697 1349638113 /nfs/dbraw/zinc/63/81/13/1349638113.db2.gz RKTOJNVAAUFSND-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cccc(Cl)c1 ZINC001592501697 1349638111 /nfs/dbraw/zinc/63/81/11/1349638111.db2.gz RKTOJNVAAUFSND-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC001592504113 1349642572 /nfs/dbraw/zinc/64/25/72/1349642572.db2.gz UQQGRKJOFXQGNR-UHFFFAOYSA-N -1 1 338.283 2.037 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1ccc(-c2nnco2)cc1 ZINC001592504113 1349642574 /nfs/dbraw/zinc/64/25/74/1349642574.db2.gz UQQGRKJOFXQGNR-UHFFFAOYSA-N -1 1 338.283 2.037 20 0 EEADMM Cc1sccc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592522538 1349645277 /nfs/dbraw/zinc/64/52/77/1349645277.db2.gz WKOSHBYTZQAQKL-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1sccc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592522538 1349645278 /nfs/dbraw/zinc/64/52/78/1349645278.db2.gz WKOSHBYTZQAQKL-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Clc1cccc(CC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001592534463 1349650429 /nfs/dbraw/zinc/65/04/29/1349650429.db2.gz PXZQKUXUROTEIU-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc(CC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001592534463 1349650430 /nfs/dbraw/zinc/65/04/30/1349650430.db2.gz PXZQKUXUROTEIU-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001592534153 1349650564 /nfs/dbraw/zinc/65/05/64/1349650564.db2.gz DDONUYVLOKFEFP-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001592534153 1349650566 /nfs/dbraw/zinc/65/05/66/1349650566.db2.gz DDONUYVLOKFEFP-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1nc(N2CCC[C@H]2[C@H]2CCCO2)sc1-c1nnn[n-]1 ZINC001592540407 1349652514 /nfs/dbraw/zinc/65/25/14/1349652514.db2.gz KEGUQKSJFSMQQV-JGVFFNPUSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nc(N2CCC[C@H]2[C@H]2CCCO2)sc1-c1nn[n-]n1 ZINC001592540407 1349652517 /nfs/dbraw/zinc/65/25/17/1349652517.db2.gz KEGUQKSJFSMQQV-JGVFFNPUSA-N -1 1 326.813 2.124 20 0 EEADMM Fc1cccc(F)c1C1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592656703 1349701956 /nfs/dbraw/zinc/70/19/56/1349701956.db2.gz KJUYVHDXACPYGU-UHFFFAOYSA-N -1 1 341.325 2.229 20 0 EEADMM Fc1cccc(F)c1C1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592656703 1349701957 /nfs/dbraw/zinc/70/19/57/1349701957.db2.gz KJUYVHDXACPYGU-UHFFFAOYSA-N -1 1 341.325 2.229 20 0 EEADMM O=C(NCC1(C2CCC2)CCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593016568 1349733734 /nfs/dbraw/zinc/73/37/34/1349733734.db2.gz VBRXJLSXWXLRHX-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(NCC1(C2CCC2)CCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593016568 1349733738 /nfs/dbraw/zinc/73/37/38/1349733738.db2.gz VBRXJLSXWXLRHX-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cccc2c1CCO2 ZINC001593136635 1349739547 /nfs/dbraw/zinc/73/95/47/1349739547.db2.gz RCAYYLGLDQMGJV-UHFFFAOYSA-N -1 1 342.384 2.185 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc2c(o1)CCCC2 ZINC001593137064 1349740347 /nfs/dbraw/zinc/74/03/47/1349740347.db2.gz ZBPUAOSSKXCLKC-UHFFFAOYSA-N -1 1 329.385 2.330 20 0 EEADMM O=C(NCc1cccc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593143747 1349741334 /nfs/dbraw/zinc/74/13/34/1349741334.db2.gz DZIYNKKHSQGFLC-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM O=C(NCc1cccc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593143747 1349741336 /nfs/dbraw/zinc/74/13/36/1349741336.db2.gz DZIYNKKHSQGFLC-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM O=C(O[C@@H]1CCc2ccc(F)cc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281728 1349760635 /nfs/dbraw/zinc/76/06/35/1349760635.db2.gz YIJFVSUTGVHOSM-CQSZACIVSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@@H]1CCc2ccc(F)cc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281728 1349760642 /nfs/dbraw/zinc/76/06/42/1349760642.db2.gz YIJFVSUTGVHOSM-CQSZACIVSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284749 1349762952 /nfs/dbraw/zinc/76/29/52/1349762952.db2.gz RWTKBLDXZOMUPZ-GFCCVEGCSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(OCc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593298450 1349772184 /nfs/dbraw/zinc/77/21/84/1349772184.db2.gz CHZUWAHQWXBLHO-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(Oc1ccccc1-c1nnco1)c1csc(-c2nnn[n-]2)c1 ZINC001593309522 1349777480 /nfs/dbraw/zinc/77/74/80/1349777480.db2.gz LJLIWJKQLZTRQI-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(Oc1ccccc1-c1nnco1)c1csc(-c2nn[n-]n2)c1 ZINC001593309522 1349777484 /nfs/dbraw/zinc/77/74/84/1349777484.db2.gz LJLIWJKQLZTRQI-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC001593315298 1349778957 /nfs/dbraw/zinc/77/89/57/1349778957.db2.gz VEPXSEBCQKQOEX-UHFFFAOYSA-N -1 1 343.293 2.053 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCc2c(F)ccc(F)c21 ZINC001593358178 1349789766 /nfs/dbraw/zinc/78/97/66/1349789766.db2.gz DJNWZDBZAFIBNF-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCc2c(F)ccc(F)c21 ZINC001593358178 1349789772 /nfs/dbraw/zinc/78/97/72/1349789772.db2.gz DJNWZDBZAFIBNF-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001593362566 1349790521 /nfs/dbraw/zinc/79/05/21/1349790521.db2.gz UOSUAAIKYJZKED-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001593362566 1349790530 /nfs/dbraw/zinc/79/05/30/1349790530.db2.gz UOSUAAIKYJZKED-VXGBXAGGSA-N -1 1 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Cc1nccc(NCc2ncc(C(=O)[O-])s2)c1Br ZINC001600753072 1350128917 /nfs/dbraw/zinc/12/89/17/1350128917.db2.gz PNBZDYDISMAVTI-UHFFFAOYSA-N -1 1 328.191 2.341 20 0 EEADMM Cc1noc2ncc(CN3CC[C@@](C(=O)[O-])(C(F)(F)F)C3)cc12 ZINC001600815863 1350143074 /nfs/dbraw/zinc/14/30/74/1350143074.db2.gz FSFGNBNLVNWGGS-CYBMUJFWSA-N -1 1 329.278 2.370 20 0 EEADMM Cc1oc(CN(C)[C@@H]2CCC3(C[C@H]2F)OCCO3)cc1C(=O)[O-] ZINC001600843776 1350149687 /nfs/dbraw/zinc/14/96/87/1350149687.db2.gz QTOUWMKCCPPJFT-ZIAGYGMSSA-N -1 1 327.352 2.352 20 0 EEADMM Cc1oc(CN(C)C[C@@H](O)C[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001600842358 1350149758 /nfs/dbraw/zinc/14/97/58/1350149758.db2.gz LGAFCHYRFIIWCI-YOEHRIQHSA-N -1 1 333.384 2.203 20 0 EEADMM Nc1nc(Br)ccc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001601219609 1350234392 /nfs/dbraw/zinc/23/43/92/1350234392.db2.gz JWSMEPVIHOSQJB-PTOFAABTSA-N -1 1 340.221 2.111 20 0 EEADMM O=C([O-])c1cc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)c[nH]1 ZINC001601483715 1350293499 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O=C([O-])[C@H]1[C@@H](CNCc2nc(-c3ccncc3)cs2)C1(F)F ZINC001601753240 1350357017 /nfs/dbraw/zinc/35/70/17/1350357017.db2.gz RJZZVIHHSZALAZ-BXKDBHETSA-N -1 1 325.340 2.261 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC001601765174 1350359016 /nfs/dbraw/zinc/35/90/16/1350359016.db2.gz OGUJCOKBTCDZSS-VHSXEESVSA-N -1 1 349.770 2.106 20 0 EEADMM O=C([O-])CCN1CC[C@@H]([N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)C1=O ZINC001602009191 1350417659 /nfs/dbraw/zinc/41/76/59/1350417659.db2.gz ACUZXDHLABMSTJ-AEFFLSMTSA-N -1 1 340.423 2.455 20 0 EEADMM O=C([O-])CCN1CC[C@@H](N2CC3(CC=CC3)[C@@H]2c2ccccc2)C1=O ZINC001602009191 1350417661 /nfs/dbraw/zinc/41/76/61/1350417661.db2.gz ACUZXDHLABMSTJ-AEFFLSMTSA-N -1 1 340.423 2.455 20 0 EEADMM O=C([O-])CCc1ccc(O)c(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC001602043283 1350425328 /nfs/dbraw/zinc/42/53/28/1350425328.db2.gz PKGZAQGNIDMSHM-UHFFFAOYSA-N -1 1 339.351 2.467 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)CCc1c[nH]nn1)c1cccc2ccccc21 ZINC001602104643 1350438961 /nfs/dbraw/zinc/43/89/61/1350438961.db2.gz IWDGKQHZTFWJPL-MRXNPFEDSA-N -1 1 338.367 2.223 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)CCc1cnn[nH]1)c1cccc2ccccc21 ZINC001602104643 1350438962 /nfs/dbraw/zinc/43/89/62/1350438962.db2.gz IWDGKQHZTFWJPL-MRXNPFEDSA-N -1 1 338.367 2.223 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2nnc(/C=C\c3ccco3)s2)on1 ZINC001602248706 1350475881 /nfs/dbraw/zinc/47/58/81/1350475881.db2.gz FKQIMUPGJWKMJY-ARJAWSKDSA-N -1 1 332.297 2.240 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)N2CCNC[C@H]2c2ccccc2)cc1 ZINC001602333115 1350496426 /nfs/dbraw/zinc/49/64/26/1350496426.db2.gz XRQZEIUXPVYLJL-SFHVURJKSA-N -1 1 338.407 2.491 20 0 EEADMM O=C([O-])c1ccc2cc(CCNCc3nc(CO)cs3)oc2c1 ZINC001602428718 1350517577 /nfs/dbraw/zinc/51/75/77/1350517577.db2.gz ZZYRNQCLLXUDBH-UHFFFAOYSA-N -1 1 332.381 2.412 20 0 EEADMM O=C([O-])c1cccc2c1CCN2C(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001602458167 1350523774 /nfs/dbraw/zinc/52/37/74/1350523774.db2.gz POZNYEOSIAOAGC-UHFFFAOYSA-N -1 1 348.362 2.297 20 0 EEADMM O=C([O-])c1cccc2c1CN([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)CC2 ZINC001602458985 1350524044 /nfs/dbraw/zinc/52/40/44/1350524044.db2.gz GYEQXXOFFODSHS-IAOVAPTHSA-N -1 1 328.412 2.190 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(Cc3ccc4scnc4c3)C2)nn1 ZINC001602499162 1350532224 /nfs/dbraw/zinc/53/22/24/1350532224.db2.gz KBHXGNSJOKLQKW-NSHDSACASA-N -1 1 329.385 2.033 20 0 EEADMM O=C([O-])c1cn(CCNCc2csc(-c3ccc(F)cc3)n2)nn1 ZINC001602505869 1350533760 /nfs/dbraw/zinc/53/37/60/1350533760.db2.gz UTAMROXHSBZVFW-UHFFFAOYSA-N -1 1 347.375 2.029 20 0 EEADMM O=C([O-])c1sc2ccccc2c1Cn1cc(CNC2CC2)nn1 ZINC001602594036 1350553038 /nfs/dbraw/zinc/55/30/38/1350553038.db2.gz JDXNYPWWQITLCG-UHFFFAOYSA-N -1 1 328.397 2.491 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)CC(F)(F)F ZINC001603542160 1350718090 /nfs/dbraw/zinc/71/80/90/1350718090.db2.gz BIHNURNQNUZIAR-SSDOTTSWSA-N -1 1 331.273 2.324 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)CC(F)(F)F ZINC001603542160 1350718094 /nfs/dbraw/zinc/71/80/94/1350718094.db2.gz BIHNURNQNUZIAR-SSDOTTSWSA-N -1 1 331.273 2.324 20 0 EEADMM C[C@@H](O)C(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603693660 1350743143 /nfs/dbraw/zinc/74/31/43/1350743143.db2.gz HGCPHWMNHCYVCT-SSDOTTSWSA-N -1 1 330.314 2.099 20 0 EEADMM C[C@@H](O)C(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603693660 1350743148 /nfs/dbraw/zinc/74/31/48/1350743148.db2.gz HGCPHWMNHCYVCT-SSDOTTSWSA-N -1 1 330.314 2.099 20 0 EEADMM CC1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)Cc2ccccc2C1 ZINC001603803824 1350771344 /nfs/dbraw/zinc/77/13/44/1350771344.db2.gz CAFIVMRXWMJEDS-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM CC1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)Cc2ccccc2C1 ZINC001603803824 1350771350 /nfs/dbraw/zinc/77/13/50/1350771350.db2.gz CAFIVMRXWMJEDS-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603820688 1350775637 /nfs/dbraw/zinc/77/56/37/1350775637.db2.gz ZXVUSQYRNRISSE-UHFFFAOYSA-N -1 1 334.383 2.112 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603820688 1350775639 /nfs/dbraw/zinc/77/56/39/1350775639.db2.gz ZXVUSQYRNRISSE-UHFFFAOYSA-N -1 1 334.383 2.112 20 0 EEADMM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603818304 1350775824 /nfs/dbraw/zinc/77/58/24/1350775824.db2.gz GPXUMHJOSRLMPH-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603818304 1350775827 /nfs/dbraw/zinc/77/58/27/1350775827.db2.gz GPXUMHJOSRLMPH-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@H]1CC(F)(F)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603855815 1350784638 /nfs/dbraw/zinc/78/46/38/1350784638.db2.gz PUMKBRRYHSEFPG-QMMMGPOBSA-N -1 1 342.375 2.257 20 0 EEADMM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1(F)F ZINC001603921582 1350802606 /nfs/dbraw/zinc/80/26/06/1350802606.db2.gz PNWKQVWZJILIQL-QMMMGPOBSA-N -1 1 342.375 2.115 20 0 EEADMM C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001603928450 1350803935 /nfs/dbraw/zinc/80/39/35/1350803935.db2.gz VWTYGGJYNAAAJO-OCAPTIKFSA-N -1 1 340.309 2.009 20 0 EEADMM C[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@@H](CC(F)(F)F)O1 ZINC001603935534 1350805722 /nfs/dbraw/zinc/80/57/22/1350805722.db2.gz GUTYJWLQQJRJIL-PSASIEDQSA-N -1 1 347.366 2.470 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)[C@@H](C)[C@H](C)O1 ZINC001603938991 1350808169 /nfs/dbraw/zinc/80/81/69/1350808169.db2.gz IGAQFDGPLFQHRV-VGMNWLOBSA-N -1 1 342.325 2.283 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)[C@@H](C)[C@H](C)O1 ZINC001603938991 1350808171 /nfs/dbraw/zinc/80/81/71/1350808171.db2.gz IGAQFDGPLFQHRV-VGMNWLOBSA-N -1 1 342.325 2.283 20 0 EEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC001603966199 1350816449 /nfs/dbraw/zinc/81/64/49/1350816449.db2.gz WJGHVJNCBFRNMB-FMIVXFBMSA-N -1 1 337.387 2.341 20 0 EEADMM CCC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC001603966199 1350816453 /nfs/dbraw/zinc/81/64/53/1350816453.db2.gz WJGHVJNCBFRNMB-FMIVXFBMSA-N -1 1 337.387 2.341 20 0 EEADMM CC(C)[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCN1C ZINC001603983422 1350819278 /nfs/dbraw/zinc/81/92/78/1350819278.db2.gz LPZLXIFSKBHTDP-QGZVFWFLSA-N -1 1 343.427 2.138 20 0 EEADMM CC/C=C(\C)C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001604118879 1350864944 /nfs/dbraw/zinc/86/49/44/1350864944.db2.gz JXOGNBVRLHSFCG-WEYXYWBQSA-N -1 1 347.448 2.072 20 0 EEADMM C[C@H](CCC(C)(C)C)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604131860 1350867681 /nfs/dbraw/zinc/86/76/81/1350867681.db2.gz HRVWMOODKCKEED-ZIAGYGMSSA-N -1 1 327.469 2.392 20 0 EEADMM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001604163430 1350880968 /nfs/dbraw/zinc/88/09/68/1350880968.db2.gz SGXFRPOWHQHERY-JTQLQIEISA-N -1 1 341.412 2.205 20 0 EEADMM CCCc1ccc(NCc2cnc3c(-c4nnn[n-]4)cnn3c2)cc1 ZINC001604245367 1350901304 /nfs/dbraw/zinc/90/13/04/1350901304.db2.gz CCPRBHPOXDBEFZ-UHFFFAOYSA-N -1 1 334.387 2.474 20 0 EEADMM CCCc1ccc(NCc2cnc3c(-c4nn[n-]n4)cnn3c2)cc1 ZINC001604245367 1350901305 /nfs/dbraw/zinc/90/13/05/1350901305.db2.gz CCPRBHPOXDBEFZ-UHFFFAOYSA-N -1 1 334.387 2.474 20 0 EEADMM C[C@@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC001604327759 1350916910 /nfs/dbraw/zinc/91/69/10/1350916910.db2.gz YILGQRVMLYWIQO-RHSMWYFYSA-N -1 1 326.396 2.323 20 0 EEADMM C[C@@H](NCCC(=O)N(C)CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001604338960 1350919329 /nfs/dbraw/zinc/91/93/29/1350919329.db2.gz SJRNNAIALJWGDG-SNVBAGLBSA-N -1 1 327.450 2.024 20 0 EEADMM C[C@@](O)(C[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(F)(F)F ZINC001604370361 1350925257 /nfs/dbraw/zinc/92/52/57/1350925257.db2.gz XLYZSDCIUWXKLY-PRHODGIISA-N -1 1 338.351 2.334 20 0 EEADMM C[C@@](O)(CN1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(F)(F)F ZINC001604370361 1350925258 /nfs/dbraw/zinc/92/52/58/1350925258.db2.gz XLYZSDCIUWXKLY-PRHODGIISA-N -1 1 338.351 2.334 20 0 EEADMM C[C@@H](Oc1ccc(CN[C@](C)(CO)c2cccc(O)c2)cc1)C(=O)[O-] ZINC001604430539 1350936501 /nfs/dbraw/zinc/93/65/01/1350936501.db2.gz UGRGTRVVGKZURM-BFUOFWGJSA-N -1 1 345.395 2.241 20 0 EEADMM C[C@@H](Oc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1F)C(=O)[O-] ZINC001604435008 1350936724 /nfs/dbraw/zinc/93/67/24/1350936724.db2.gz QFLXCPZDDWPILJ-KOLCDFICSA-N -1 1 347.346 2.459 20 0 EEADMM CC1=CCN(CCNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001604615386 1350970797 /nfs/dbraw/zinc/97/07/97/1350970797.db2.gz KTAISWUVGVQPFW-VQIMIIECSA-N -1 1 328.412 2.013 20 0 EEADMM CN(C(=O)CSCc1cccs1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604641246 1350975558 /nfs/dbraw/zinc/97/55/58/1350975558.db2.gz DYDWXOJOAOLGAN-UHFFFAOYSA-N -1 1 346.441 2.219 20 0 EEADMM CN(C(=O)CSCc1cccs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604641246 1350975560 /nfs/dbraw/zinc/97/55/60/1350975560.db2.gz DYDWXOJOAOLGAN-UHFFFAOYSA-N -1 1 346.441 2.219 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCC(C(F)F)CC1 ZINC001604789687 1351004693 /nfs/dbraw/zinc/00/46/93/1351004693.db2.gz GDRZTOGGRKURGM-PNESKVBLSA-N -1 1 347.406 2.001 20 0 EEADMM COC(=O)[C@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001604903361 1351028842 /nfs/dbraw/zinc/02/88/42/1351028842.db2.gz XOWFKJXPKBJCKD-SNVBAGLBSA-N -1 1 327.344 2.348 20 0 EEADMM COC(=O)[C@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001604903361 1351028846 /nfs/dbraw/zinc/02/88/46/1351028846.db2.gz XOWFKJXPKBJCKD-SNVBAGLBSA-N -1 1 327.344 2.348 20 0 EEADMM COC(=O)[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC001604910745 1351030437 /nfs/dbraw/zinc/03/04/37/1351030437.db2.gz ZHKKTKPHKJITAE-ZDUSSCGKSA-N -1 1 347.375 2.071 20 0 EEADMM COC(=O)C[C@@H](C)Sc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604931664 1351033519 /nfs/dbraw/zinc/03/35/19/1351033519.db2.gz NYJYZIIOBGHVJR-ZCFIWIBFSA-N -1 1 347.322 2.324 20 0 EEADMM COC(=O)C[C@@H](C)Sc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604931664 1351033522 /nfs/dbraw/zinc/03/35/22/1351033522.db2.gz NYJYZIIOBGHVJR-ZCFIWIBFSA-N -1 1 347.322 2.324 20 0 EEADMM CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604967296 1351041724 /nfs/dbraw/zinc/04/17/24/1351041724.db2.gz BIGLZDZYAAYLOA-SDDRHHMPSA-N -1 1 339.461 2.324 20 0 EEADMM CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604967298 1351041755 /nfs/dbraw/zinc/04/17/55/1351041755.db2.gz BIGLZDZYAAYLOA-SRVKXCTJSA-N -1 1 339.461 2.324 20 0 EEADMM COC(=O)c1ccc(N2CCCCCCCC2)c(-c2nnn[n-]2)n1 ZINC001604972717 1351042483 /nfs/dbraw/zinc/04/24/83/1351042483.db2.gz CQHPOEPBHHDVDY-UHFFFAOYSA-N -1 1 330.392 2.209 20 0 EEADMM COC(=O)c1ccc(N2CCCCCCCC2)c(-c2nn[n-]n2)n1 ZINC001604972717 1351042484 /nfs/dbraw/zinc/04/24/84/1351042484.db2.gz CQHPOEPBHHDVDY-UHFFFAOYSA-N -1 1 330.392 2.209 20 0 EEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605014580 1351055127 /nfs/dbraw/zinc/05/51/27/1351055127.db2.gz VRMVVPXLVYJCED-OTYXRUKQSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605014580 1351055132 /nfs/dbraw/zinc/05/51/32/1351055132.db2.gz VRMVVPXLVYJCED-OTYXRUKQSA-N -1 1 345.794 2.498 20 0 EEADMM COc1cccc(C)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001605315669 1351134084 /nfs/dbraw/zinc/13/40/84/1351134084.db2.gz WGMGMNQKODXFHR-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM COc1cccc(C)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605315669 1351134086 /nfs/dbraw/zinc/13/40/86/1351134086.db2.gz WGMGMNQKODXFHR-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM COc1cccc([C@H]2C[C@H](C)CN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605319151 1351135540 /nfs/dbraw/zinc/13/55/40/1351135540.db2.gz DESBLLQNHOMKNU-SMDDNHRTSA-N -1 1 337.387 2.253 20 0 EEADMM C[S@](=O)Cc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001605363078 1351144341 /nfs/dbraw/zinc/14/43/41/1351144341.db2.gz OXCNMNGLQGUCJJ-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM C[S@](=O)Cc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001605363078 1351144343 /nfs/dbraw/zinc/14/43/43/1351144343.db2.gz OXCNMNGLQGUCJJ-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nn1C ZINC001605464286 1351163313 /nfs/dbraw/zinc/16/33/13/1351163313.db2.gz DVMCIMLXYRPNIR-JHJVBQTASA-N -1 1 343.435 2.454 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nn1C ZINC001605464286 1351163316 /nfs/dbraw/zinc/16/33/16/1351163316.db2.gz DVMCIMLXYRPNIR-JHJVBQTASA-N -1 1 343.435 2.454 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C1CCCCCC1 ZINC001605504922 1351173484 /nfs/dbraw/zinc/17/34/84/1351173484.db2.gz NODGNTQIDIVIRX-UHFFFAOYSA-N -1 1 330.392 2.071 20 0 EEADMM Cc1cc(N2CCC[C@](O)(c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605694261 1351215833 /nfs/dbraw/zinc/21/58/33/1351215833.db2.gz FTGUENGXNYWCMU-GOSISDBHSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1cc(N2CCC[C@](O)(c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605694261 1351215834 /nfs/dbraw/zinc/21/58/34/1351215834.db2.gz FTGUENGXNYWCMU-GOSISDBHSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1cc(NC[C@H](O)Cc2cccc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001605728510 1351218959 /nfs/dbraw/zinc/21/89/59/1351218959.db2.gz MLHLYWILUQQJEI-CQSZACIVSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1cc(NC[C@H](O)Cc2cccc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001605728510 1351218961 /nfs/dbraw/zinc/21/89/61/1351218961.db2.gz MLHLYWILUQQJEI-CQSZACIVSA-N -1 1 344.806 2.239 20 0 EEADMM CCc1cccc(OCC[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001605831231 1351230867 /nfs/dbraw/zinc/23/08/67/1351230867.db2.gz TXBKFZMNTFUJNY-RCDNUKIMSA-N -1 1 347.411 2.125 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001605879286 1351244770 /nfs/dbraw/zinc/24/47/70/1351244770.db2.gz KMGMXUWEAROZRM-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CCc1oc2ccccc2c1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605892701 1351248417 /nfs/dbraw/zinc/24/84/17/1351248417.db2.gz VPRYPSQEKWMECJ-AWEZNQCLSA-N -1 1 341.367 2.073 20 0 EEADMM Cc1cccc(OCCCNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605923524 1351254961 /nfs/dbraw/zinc/25/49/61/1351254961.db2.gz OGHNPPFHFFOBKH-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1cccc(OCCCNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605923524 1351254964 /nfs/dbraw/zinc/25/49/64/1351254964.db2.gz OGHNPPFHFFOBKH-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1[nH]nc(NC(=O)COc2ccccc2C(C)C)c1-c1nn[n-]n1 ZINC001606013229 1351263633 /nfs/dbraw/zinc/26/36/33/1351263633.db2.gz IRLBBJFLICHZBE-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM Cc1nnc(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)o2)o1 ZINC001606119047 1351273770 /nfs/dbraw/zinc/27/37/70/1351273770.db2.gz LYAZITKZUVBVGP-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC001606165936 1351279921 /nfs/dbraw/zinc/27/99/21/1351279921.db2.gz LXVPNWZTJXRVLX-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC001606165936 1351279923 /nfs/dbraw/zinc/27/99/23/1351279923.db2.gz LXVPNWZTJXRVLX-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Clc1sc(N2CCC(c3cn[nH]c3)CC2)nc1-c1nn[n-]n1 ZINC001606200895 1351284848 /nfs/dbraw/zinc/28/48/48/1351284848.db2.gz KKXVGIIQRSKEQV-UHFFFAOYSA-N -1 1 336.812 2.084 20 0 EEADMM COC(=O)CC[C@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1 ZINC001606449984 1351303661 /nfs/dbraw/zinc/30/36/61/1351303661.db2.gz RDWGZZOKGNDDTG-CYBMUJFWSA-N -1 1 345.317 2.470 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606664877 1351339207 /nfs/dbraw/zinc/33/92/07/1351339207.db2.gz VRWSGHKBSJQKHY-BWVDBABLSA-N -1 1 325.344 2.092 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606664877 1351339211 /nfs/dbraw/zinc/33/92/11/1351339211.db2.gz VRWSGHKBSJQKHY-BWVDBABLSA-N -1 1 325.344 2.092 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ncoc1-c1ccccc1 ZINC001606934506 1351379957 /nfs/dbraw/zinc/37/99/57/1351379957.db2.gz BULQFNYUSGVBTG-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ncoc1-c1ccccc1 ZINC001606934506 1351379959 /nfs/dbraw/zinc/37/99/59/1351379959.db2.gz BULQFNYUSGVBTG-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccnn1C1CCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606945081 1351381473 /nfs/dbraw/zinc/38/14/73/1351381473.db2.gz PLLPGBKMFBTLRX-UHFFFAOYSA-N -1 1 327.323 2.180 20 0 EEADMM O=C(Nc1ccnn1C1CCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606945081 1351381475 /nfs/dbraw/zinc/38/14/75/1351381475.db2.gz PLLPGBKMFBTLRX-UHFFFAOYSA-N -1 1 327.323 2.180 20 0 EEADMM O=C([N-]c1nocc1C1CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001606954305 1351383994 /nfs/dbraw/zinc/38/39/94/1351383994.db2.gz PHGWSXSXGNKBAI-UHFFFAOYSA-N -1 1 332.270 2.263 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc(-c2ccccc2)on1 ZINC001606982280 1351391596 /nfs/dbraw/zinc/39/15/96/1351391596.db2.gz KIZYWOPBGXRSDQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc(-c2ccccc2)on1 ZINC001606982280 1351391598 /nfs/dbraw/zinc/39/15/98/1351391598.db2.gz KIZYWOPBGXRSDQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCCC1CCOCC1)CCC2 ZINC001607089078 1351413361 /nfs/dbraw/zinc/41/33/61/1351413361.db2.gz FDYWAUVMQIMNPR-UHFFFAOYSA-N -1 1 343.431 2.114 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCCN2CC(C)C)c1O ZINC001607092601 1351414845 /nfs/dbraw/zinc/41/48/45/1351414845.db2.gz AJOGUVBUTHPWKW-CYBMUJFWSA-N -1 1 336.388 2.158 20 0 EEADMM c1ccc(C2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001607129740 1351431974 /nfs/dbraw/zinc/43/19/74/1351431974.db2.gz QZNMOPQPAMRADN-UHFFFAOYSA-N -1 1 335.415 2.465 20 0 EEADMM COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1C(=O)[O-] ZINC001607259789 1351460291 /nfs/dbraw/zinc/46/02/91/1351460291.db2.gz XWSHXEBYUPYKDI-ZDUSSCGKSA-N -1 1 349.431 2.065 20 0 EEADMM COc1ccc(N2C[C@H](NCc3cc(C)c(C(=O)[O-])o3)CC2=O)cc1 ZINC001607269594 1351462383 /nfs/dbraw/zinc/46/23/83/1351462383.db2.gz SFAKUQRJLRKWOX-GFCCVEGCSA-N -1 1 344.367 2.190 20 0 EEADMM COc1cccc([C@@H]2CC(=O)N(CN3CCC[C@](C)(C(=O)[O-])C3)C2)c1 ZINC001607318892 1351472395 /nfs/dbraw/zinc/47/23/95/1351472395.db2.gz IHISMGVFIPOPTI-BEFAXECRSA-N -1 1 346.427 2.155 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)nc1 ZINC001607410165 1351489962 /nfs/dbraw/zinc/48/99/62/1351489962.db2.gz YNJYLZWCOOKXGQ-UHFFFAOYSA-N -1 1 338.410 2.231 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H]([C@H]3CCCO3)C2)c(C)c1C(=O)[O-] ZINC001607484276 1351501736 /nfs/dbraw/zinc/50/17/36/1351501736.db2.gz GQEUQGDNSWDKBM-MELADBBJSA-N -1 1 334.416 2.402 20 0 EEADMM Cc1[nH]c(CN2CCN(CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC001607497501 1351505558 /nfs/dbraw/zinc/50/55/58/1351505558.db2.gz YWOXVGYQZGAYBE-UHFFFAOYSA-N -1 1 327.428 2.382 20 0 EEADMM Cc1cc(CNC(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)n[nH]1 ZINC001607644831 1351532312 /nfs/dbraw/zinc/53/23/12/1351532312.db2.gz XRSDKYFLMPVWKB-VIFPVBQESA-N -1 1 336.323 2.031 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)c2ccc3cncn3c2)C(=O)[O-])c1 ZINC001607848985 1351570711 /nfs/dbraw/zinc/57/07/11/1351570711.db2.gz AOVTVHMKCHCUGI-INIZCTEOSA-N -1 1 337.379 2.316 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001607987269 1351598584 /nfs/dbraw/zinc/59/85/84/1351598584.db2.gz HSWCSGXRRXSBFS-UONOGXRCSA-N -1 1 327.388 2.182 20 0 EEADMM O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc([O-])cn1 ZINC001622155105 1352378977 /nfs/dbraw/zinc/37/89/77/1352378977.db2.gz BNQALRQNDFXKCD-UHFFFAOYSA-N -1 1 339.326 2.389 20 0 EEADMM CCC(CC)(NC(=O)c1cccc(-c2cnn(C)c2)c1)c1nn[n-]n1 ZINC001626904677 1352477350 /nfs/dbraw/zinc/47/73/50/1352477350.db2.gz YOVRQXUCZQIRBW-UHFFFAOYSA-N -1 1 339.403 2.046 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)nn1 ZINC001641487645 1352722316 /nfs/dbraw/zinc/72/23/16/1352722316.db2.gz YDKBSMSUKCHMJL-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)nn1 ZINC001641487645 1352722319 /nfs/dbraw/zinc/72/23/19/1352722319.db2.gz YDKBSMSUKCHMJL-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccn(CCC(F)(F)F)n1 ZINC001646650590 1352903404 /nfs/dbraw/zinc/90/34/04/1352903404.db2.gz QLVMCPLSGQJDPX-UHFFFAOYSA-N -1 1 342.203 2.225 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@H](C)OC1CCCCC1 ZINC001647088426 1353134204 /nfs/dbraw/zinc/13/42/04/1353134204.db2.gz OBGDRRBTQPSCNZ-ZDUSSCGKSA-N -1 1 346.431 2.406 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001647092823 1353136869 /nfs/dbraw/zinc/13/68/69/1353136869.db2.gz DDFHCEHQNLMSCO-OWYVNGRQSA-N -1 1 347.383 2.065 20 0 EEADMM CCCO[C@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1ccc(F)cc1C ZINC001650582437 1354004164 /nfs/dbraw/zinc/00/41/64/1354004164.db2.gz MHRMHRUGWJWDQV-DOMZBBRYSA-N -1 1 347.394 2.131 20 0 EEADMM COc1ccnc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC001650958045 1354035246 /nfs/dbraw/zinc/03/52/46/1354035246.db2.gz HMTXUUCWHWPYKB-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM COc1ccnc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1 ZINC001650958045 1354035250 /nfs/dbraw/zinc/03/52/50/1354035250.db2.gz HMTXUUCWHWPYKB-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(OC)c1 ZINC000074829486 1354368544 /nfs/dbraw/zinc/36/85/44/1354368544.db2.gz GCWKOXQLXSKNGC-UHFFFAOYSA-N -1 1 335.381 2.440 20 0 EEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2o1 ZINC000074838589 1354368701 /nfs/dbraw/zinc/36/87/01/1354368701.db2.gz JTPMRZCETJAEOK-UHFFFAOYSA-N -1 1 345.336 2.372 20 0 EEADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)NC)c1 ZINC000080938576 1355308923 /nfs/dbraw/zinc/30/89/23/1355308923.db2.gz DEMXOMIDSLPTPR-UHFFFAOYSA-N -1 1 332.425 2.338 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cccc2oc(C)nc21)c1nn[n-]n1 ZINC001671375391 1356333005 /nfs/dbraw/zinc/33/30/05/1356333005.db2.gz KHLKISJCOIOYMM-JTQLQIEISA-N -1 1 347.404 2.265 20 0 EEADMM O=C(CC[C@@H]1CCCCO1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096310 1368138525 /nfs/dbraw/zinc/13/85/25/1368138525.db2.gz BTNGEPKBLKPAEZ-ZDUSSCGKSA-N -1 1 331.376 2.067 20 0 EEADMM CCOC(=O)c1cnn(-c2ccccc2)c1[N-]S(=O)(=O)CC1CC1 ZINC001188931126 1368331159 /nfs/dbraw/zinc/33/11/59/1368331159.db2.gz YTHHQBUITAZZRM-UHFFFAOYSA-N -1 1 349.412 2.201 20 0 EEADMM CCOC(=O)CS(=O)(=O)[N-]c1cnc2ccccc2c1Cl ZINC001195942489 1368579831 /nfs/dbraw/zinc/57/98/31/1368579831.db2.gz NYOBNLNFMFMXAK-UHFFFAOYSA-N -1 1 328.777 2.193 20 0 EEADMM COc1cc(Br)ccc1S(=O)(=O)[N-]CC(F)(F)F ZINC001196575275 1368598883 /nfs/dbraw/zinc/59/88/83/1368598883.db2.gz MXDNOPCRJZCDDX-UHFFFAOYSA-N -1 1 348.140 2.298 20 0 EEADMM CC[C@@H](C[N-]S(=O)(=O)N=S(=O)(CC)CC)CC(F)(F)F ZINC000867404225 1368844679 /nfs/dbraw/zinc/84/46/79/1368844679.db2.gz INXOJDUXRPNQIS-SECBINFHSA-N -1 1 338.417 2.307 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000855808688 1369398100 /nfs/dbraw/zinc/39/81/00/1369398100.db2.gz MJOSYWQBFSRJNM-ZDUSSCGKSA-N -1 1 345.374 2.487 20 0 EEADMM Cc1cccc(Cl)c1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001389266591 1388002224 /nfs/dbraw/zinc/00/22/24/1388002224.db2.gz PRTHPUHKKZLUIL-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM COc1cc2[n-]cc(C(=O)NOC3CCCC3)c(=O)c2c(OC)c1 ZINC000860602854 1369472910 /nfs/dbraw/zinc/47/29/10/1369472910.db2.gz YTINYFRYLUZTTJ-UHFFFAOYSA-N -1 1 332.356 2.149 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc3n[n-]c(=S)n3c2)nc1 ZINC000862783682 1369546617 /nfs/dbraw/zinc/54/66/17/1369546617.db2.gz VMQPKGIJDSVQLJ-UHFFFAOYSA-N -1 1 341.440 2.429 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCc2cccs2)C1 ZINC000830841484 1372353482 /nfs/dbraw/zinc/35/34/82/1372353482.db2.gz PJDKNVBFYIXLHP-ZDUSSCGKSA-N -1 1 334.363 2.350 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@H]1OCCc2sccc21 ZINC000831617959 1372383574 /nfs/dbraw/zinc/38/35/74/1372383574.db2.gz LIQQTUNHUQUNCI-RDDDGLTNSA-N -1 1 347.849 2.105 20 0 EEADMM O=C([O-])COc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC001138927081 1372445101 /nfs/dbraw/zinc/44/51/01/1372445101.db2.gz YXLOZBFAXMVWBO-UHFFFAOYSA-N -1 1 342.395 2.178 20 0 EEADMM COc1cc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)on1 ZINC001141540222 1372875537 /nfs/dbraw/zinc/87/55/37/1372875537.db2.gz GWWWDYWRIGABIS-UHFFFAOYSA-N -1 1 328.328 2.350 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2CO)ccc1F ZINC001200559487 1373051021 /nfs/dbraw/zinc/05/10/21/1373051021.db2.gz OGTRUDPKNJAWLB-UHFFFAOYSA-N -1 1 325.361 2.436 20 0 EEADMM COC1(CC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCC1 ZINC000848340368 1373136842 /nfs/dbraw/zinc/13/68/42/1373136842.db2.gz RLYXLKPCMGNBSX-GHMZBOCLSA-N -1 1 336.354 2.004 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(OC(C)(C)C)cn1)c1nn[n-]n1 ZINC001362496419 1373422108 /nfs/dbraw/zinc/42/21/08/1373422108.db2.gz MCONWRIQTSORMR-UHFFFAOYSA-N -1 1 332.408 2.217 20 0 EEADMM CSc1nc(CNC(=O)Nc2cnc(C(C)(C)C)nc2)cc(=O)[n-]1 ZINC001365122349 1373671551 /nfs/dbraw/zinc/67/15/51/1373671551.db2.gz CCAFLNDBAAOMDT-UHFFFAOYSA-N -1 1 348.432 2.313 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)C1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001370020861 1374755014 /nfs/dbraw/zinc/75/50/14/1374755014.db2.gz GACGBFSHESQIHW-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(C(=O)CCCC1CC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001371339593 1375392081 /nfs/dbraw/zinc/39/20/81/1375392081.db2.gz AKRPNMWDFIXAGS-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C(=O)CCC1CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372081699 1375758042 /nfs/dbraw/zinc/75/80/42/1375758042.db2.gz PTFBNQSCLOKUNF-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374282152 1376643785 /nfs/dbraw/zinc/64/37/85/1376643785.db2.gz KTISRYGKKNJAHI-RDJZCZTQSA-N -1 1 347.459 2.140 20 0 EEADMM C[C@H](C(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001375413918 1377710121 /nfs/dbraw/zinc/71/01/21/1377710121.db2.gz ZTSYMEZJJBIJNM-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@]1(CNC(=O)C2CCCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001390355753 1388599280 /nfs/dbraw/zinc/59/92/80/1388599280.db2.gz IOCZVPICLJVZLT-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001377940309 1379583218 /nfs/dbraw/zinc/58/32/18/1379583218.db2.gz OIVFMPIXOKMYIW-KKUMJFAQSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(NC1(CNC(=O)C2CCC3(CC3)CC2)CC1)c1ncccc1[O-] ZINC001378947072 1380316292 /nfs/dbraw/zinc/31/62/92/1380316292.db2.gz NOBAPVBVKNHMFL-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM Cc1occc1C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001380545187 1381281985 /nfs/dbraw/zinc/28/19/85/1381281985.db2.gz ZFGVVKQSPCHROD-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM Cc1ccc(F)cc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001380841902 1381396461 /nfs/dbraw/zinc/39/64/61/1381396461.db2.gz XEIWIAILADAWMP-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccc(F)cc1F ZINC001381507007 1381631734 /nfs/dbraw/zinc/63/17/34/1381631734.db2.gz VKSTYACZHADKTP-LLVKDONJSA-N -1 1 335.354 2.316 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCN(C(=O)CCCC2CC2)CC1 ZINC001381596268 1381681126 /nfs/dbraw/zinc/68/11/26/1381681126.db2.gz MTEKUJBLJJTXPB-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001383083249 1382364258 /nfs/dbraw/zinc/36/42/58/1382364258.db2.gz IKDNEACLSILNFX-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM CCCC[C@@H](C)C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387481705 1386767996 /nfs/dbraw/zinc/76/79/96/1386767996.db2.gz LUQRUZLGNCDCAU-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCC(C)(F)F ZINC001391584039 1389453752 /nfs/dbraw/zinc/45/37/52/1389453752.db2.gz PAUDGVXPAAUJCB-NSHDSACASA-N -1 1 343.374 2.093 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CCC1 ZINC001391587264 1389455624 /nfs/dbraw/zinc/45/56/24/1389455624.db2.gz VDPSHNCBKDHAJF-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM CC/C=C(\C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001752831230 1406456190 /nfs/dbraw/zinc/45/61/90/1406456190.db2.gz CHOMWAJERYMERY-GEJCVMBQSA-N -1 1 347.463 2.212 20 0 EEADMM CC/C=C(/C)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001752831233 1406456537 /nfs/dbraw/zinc/45/65/37/1406456537.db2.gz CHOMWAJERYMERY-VBUBNCOFSA-N -1 1 347.463 2.212 20 0 EEADMM CCCC[C@H](CNC(=O)c1[nH]ccc1C)NC(=O)c1ncccc1[O-] ZINC001395241769 1390805472 /nfs/dbraw/zinc/80/54/72/1390805472.db2.gz MUOZTRZUKKORJN-CYBMUJFWSA-N -1 1 344.415 2.142 20 0 EEADMM CCc1[nH]ccc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001396267894 1390931380 /nfs/dbraw/zinc/93/13/80/1390931380.db2.gz YUVZNXMAIBQYIN-RYUDHWBXSA-N -1 1 344.415 2.005 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@H](C)C(C)C)NC(=O)c1ncccc1[O-] ZINC001399480135 1395143460 /nfs/dbraw/zinc/14/34/60/1395143460.db2.gz SGLDCFWFFGPESH-ZIAGYGMSSA-N -1 1 335.448 2.340 20 0 EEADMM O=C(CCCF)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001399508305 1395179070 /nfs/dbraw/zinc/17/90/70/1395179070.db2.gz GCSCNQJSFXAWOU-ZDUSSCGKSA-N -1 1 337.395 2.038 20 0 EEADMM CCCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001399527962 1395203199 /nfs/dbraw/zinc/20/31/99/1395203199.db2.gz DPMNLODHVDWCRB-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cc(F)ccc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001399694036 1395411299 /nfs/dbraw/zinc/41/12/99/1395411299.db2.gz JGVAXFXHMYPBBM-UHFFFAOYSA-N -1 1 345.374 2.079 20 0 EEADMM CC[C@H](C)CCC(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001424498878 1401136359 /nfs/dbraw/zinc/13/63/59/1401136359.db2.gz HLXJFDMRWJAXER-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001426913404 1402249902 /nfs/dbraw/zinc/24/99/02/1402249902.db2.gz PKYCDTRZUOZITH-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](CNC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC001428113822 1402626458 /nfs/dbraw/zinc/62/64/58/1402626458.db2.gz DHNNDUFZSBHKAU-CHWSQXEVSA-N -1 1 349.406 2.084 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC001576344306 1403567113 /nfs/dbraw/zinc/56/71/13/1403567113.db2.gz DNRFCQMALSXLEC-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM CCC(=O)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001576484685 1403578917 /nfs/dbraw/zinc/57/89/17/1403578917.db2.gz PMERKWRUSMAWRG-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CCC(=O)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001576484685 1403578923 /nfs/dbraw/zinc/57/89/23/1403578923.db2.gz PMERKWRUSMAWRG-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CCN(CCNc1cc(-c2nnn[n-]2)nc(C)n1)c1ccccc1C ZINC001578107403 1403718677 /nfs/dbraw/zinc/71/86/77/1403718677.db2.gz MQMVQQMNFKDUIK-UHFFFAOYSA-N -1 1 338.419 2.212 20 0 EEADMM CCN(CCNc1cc(-c2nn[n-]n2)nc(C)n1)c1ccccc1C ZINC001578107403 1403718681 /nfs/dbraw/zinc/71/86/81/1403718681.db2.gz MQMVQQMNFKDUIK-UHFFFAOYSA-N -1 1 338.419 2.212 20 0 EEADMM COc1ncc(NC(=O)[C@H](C)c2ccccc2F)cc1-c1nn[n-]n1 ZINC001580130010 1403831018 /nfs/dbraw/zinc/83/10/18/1403831018.db2.gz HQTOMGZNENCMON-SECBINFHSA-N -1 1 342.334 2.152 20 0 EEADMM COc1ncc(NC(=O)c2ccc3cccnc3c2)cc1-c1nn[n-]n1 ZINC001580139883 1403833828 /nfs/dbraw/zinc/83/38/28/1403833828.db2.gz MRQSVSMMGPXHTC-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ccccc1Cc1cn(Cc2ccc(-c3nnn[n-]3)o2)cn1 ZINC001591650810 1403935269 /nfs/dbraw/zinc/93/52/69/1403935269.db2.gz APTWBPQXWMTBTI-UHFFFAOYSA-N -1 1 336.355 2.304 20 0 EEADMM COc1ccccc1Cc1cn(Cc2ccc(-c3nn[n-]n3)o2)cn1 ZINC001591650810 1403935279 /nfs/dbraw/zinc/93/52/79/1403935279.db2.gz APTWBPQXWMTBTI-UHFFFAOYSA-N -1 1 336.355 2.304 20 0 EEADMM CSCc1cc(F)ccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001591699055 1403939536 /nfs/dbraw/zinc/93/95/36/1403939536.db2.gz HNQMBMJSMCUFLQ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM CSCc1cc(F)ccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001591699055 1403939550 /nfs/dbraw/zinc/93/95/50/1403939550.db2.gz HNQMBMJSMCUFLQ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)c(C)s1 ZINC001591941640 1403974669 /nfs/dbraw/zinc/97/46/69/1403974669.db2.gz ZMCTXACTNVMMGC-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)c(C)s1 ZINC001591941640 1403974680 /nfs/dbraw/zinc/97/46/80/1403974680.db2.gz ZMCTXACTNVMMGC-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc(F)c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(F)c1 ZINC001591988182 1403981342 /nfs/dbraw/zinc/98/13/42/1403981342.db2.gz LMUOPGHKKIEFTP-UHFFFAOYSA-N -1 1 345.313 2.306 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592325869 1404017919 /nfs/dbraw/zinc/01/79/19/1404017919.db2.gz KMIYEWSQTBVLHI-MRVPVSSYSA-N -1 1 330.348 2.037 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592325869 1404017922 /nfs/dbraw/zinc/01/79/22/1404017922.db2.gz KMIYEWSQTBVLHI-MRVPVSSYSA-N -1 1 330.348 2.037 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCSC2(CCC2)CC1 ZINC001592499666 1404704064 /nfs/dbraw/zinc/70/40/64/1404704064.db2.gz PSEGPXYJADLLSH-UHFFFAOYSA-N -1 1 333.417 2.270 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCSC2(CCC2)CC1 ZINC001592499666 1404704068 /nfs/dbraw/zinc/70/40/68/1404704068.db2.gz PSEGPXYJADLLSH-UHFFFAOYSA-N -1 1 333.417 2.270 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593029019 1404734769 /nfs/dbraw/zinc/73/47/69/1404734769.db2.gz IMLIFBMSQTYFDK-UHFFFAOYSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593029019 1404734775 /nfs/dbraw/zinc/73/47/75/1404734775.db2.gz IMLIFBMSQTYFDK-UHFFFAOYSA-N -1 1 337.334 2.209 20 0 EEADMM CCc1[nH]c(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C(=O)OC ZINC001605771459 1404753694 /nfs/dbraw/zinc/75/36/94/1404753694.db2.gz ADBNVJGQOBWWDE-QGZVFWFLSA-N -1 1 342.395 2.375 20 0 EEADMM Cc1nc(NCC2([C@@H]3CCCCO3)CCC2)cc(-c2nnn[n-]2)n1 ZINC001606066483 1404761471 /nfs/dbraw/zinc/76/14/71/1404761471.db2.gz CNBQYPALSSJNBF-ZDUSSCGKSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NCC2([C@@H]3CCCCO3)CCC2)cc(-c2nn[n-]n2)n1 ZINC001606066483 1404761474 /nfs/dbraw/zinc/76/14/74/1404761474.db2.gz CNBQYPALSSJNBF-ZDUSSCGKSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NCc2ncc(-c3ccccc3)o2)cc(-c2nnn[n-]2)n1 ZINC001606075864 1404762899 /nfs/dbraw/zinc/76/28/99/1404762899.db2.gz DZTDPGUWVUKCAK-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1nc(NCc2ncc(-c3ccccc3)o2)cc(-c2nn[n-]n2)n1 ZINC001606075864 1404762900 /nfs/dbraw/zinc/76/29/00/1404762900.db2.gz DZTDPGUWVUKCAK-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM CN(C[C@@H]1CCC(=O)N1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001606143345 1404768085 /nfs/dbraw/zinc/76/80/85/1404768085.db2.gz UMIGWKIDHSITAS-SDBXPKJASA-N -1 1 331.199 2.330 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])c2cccnc12)[C@H]1CCCCNC1=O ZINC001606149957 1404769475 /nfs/dbraw/zinc/76/94/75/1404769475.db2.gz IVTQQVXTVVIXHL-HNNXBMFYSA-N -1 1 327.384 2.034 20 0 EEADMM Fc1ccc(Cc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c(F)c1 ZINC001606319708 1404792095 /nfs/dbraw/zinc/79/20/95/1404792095.db2.gz KRNVKMSLDQRDIB-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1ccc(Cc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c(F)c1 ZINC001606319708 1404792099 /nfs/dbraw/zinc/79/20/99/1404792099.db2.gz KRNVKMSLDQRDIB-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1ccccc1CN(CC1CC1)c1cc(-c2nnn[n-]2)ncn1 ZINC001606335312 1404795130 /nfs/dbraw/zinc/79/51/30/1404795130.db2.gz DDLBDMLHGWOAAT-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM Fc1ccccc1CN(CC1CC1)c1cc(-c2nn[n-]n2)ncn1 ZINC001606335312 1404795140 /nfs/dbraw/zinc/79/51/40/1404795140.db2.gz DDLBDMLHGWOAAT-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM COC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000164863809 1405713354 /nfs/dbraw/zinc/71/33/54/1405713354.db2.gz UUDUOSSWCKXLPF-LLVKDONJSA-N -1 1 336.365 2.165 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([O-])cc1F ZINC000165400413 1405715450 /nfs/dbraw/zinc/71/54/50/1405715450.db2.gz MRRULASHEYGQEG-QGZVFWFLSA-N -1 1 342.370 2.452 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C2OCCO2)cc1 ZINC001772134741 1410056720 /nfs/dbraw/zinc/05/67/20/1410056720.db2.gz VSYZFGABRFUDGS-UHFFFAOYSA-N -1 1 328.250 2.121 20 0 EEADMM C[C@@H](CCNC(=O)C=C1CCCCC1)NC(=O)c1ncccc1[O-] ZINC001075819612 782249788 /nfs/dbraw/zinc/24/97/88/782249788.db2.gz WDIIRKMNPOVERI-ZDUSSCGKSA-N -1 1 331.416 2.302 20 0 EEADMM COc1cc(C=C(C(=O)Nc2nnn[n-]2)c2ccccc2)ccc1O ZINC000588502861 760288135 /nfs/dbraw/zinc/28/81/35/760288135.db2.gz ZRXGZMFMOZBKEJ-LCYFTJDESA-N -1 1 337.339 2.093 20 0 EEADMM COc1cc(C=C(C(=O)Nc2nn[n-]n2)c2ccccc2)ccc1O ZINC000588502861 760288146 /nfs/dbraw/zinc/28/81/46/760288146.db2.gz ZRXGZMFMOZBKEJ-LCYFTJDESA-N -1 1 337.339 2.093 20 0 EEADMM Cn1[n-]c(COC(=O)CC(C)(C)Cc2ccc(Cl)cc2)nc1=O ZINC000782391045 760850545 /nfs/dbraw/zinc/85/05/45/760850545.db2.gz HEWDXBXVZWPBEW-UHFFFAOYSA-N -1 1 337.807 2.464 20 0 EEADMM Cc1cc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001104935664 765606624 /nfs/dbraw/zinc/60/66/24/765606624.db2.gz UNJXIWZIDNHRSC-AWEZNQCLSA-N -1 1 343.431 2.451 20 0 EEADMM O=S(=O)([N-]CC1(Br)CC1)c1cnc(Cl)c(F)c1 ZINC000920057144 770533239 /nfs/dbraw/zinc/53/32/39/770533239.db2.gz FAOGAVRWKRLMGO-UHFFFAOYSA-N -1 1 343.605 2.080 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@]1(C)c1ccccc1 ZINC000920967701 770913789 /nfs/dbraw/zinc/91/37/89/770913789.db2.gz VBYJVZORPLQSFD-KRWDZBQOSA-N -1 1 329.356 2.048 20 0 EEADMM Cc1sccc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000979727731 770965455 /nfs/dbraw/zinc/96/54/55/770965455.db2.gz NQGWYUYKEMPGDA-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM CCc1cc(N(CC)[C@H](C)CNC(=O)c2ncccc2[O-])nc(C)n1 ZINC001089637609 773642163 /nfs/dbraw/zinc/64/21/63/773642163.db2.gz WRRSVRLYZNHBPS-GFCCVEGCSA-N -1 1 343.431 2.093 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC000942754443 783118562 /nfs/dbraw/zinc/11/85/62/783118562.db2.gz BBPGWGUYVOEBKX-GFCCVEGCSA-N -1 1 335.379 2.114 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCc3c2cccc3F)o1 ZINC000893665634 778591572 /nfs/dbraw/zinc/59/15/72/778591572.db2.gz SEFAHGRACCYZAV-GFCCVEGCSA-N -1 1 339.344 2.171 20 0 EEADMM O=C(CCOc1ccc(F)cc1)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070746 780188966 /nfs/dbraw/zinc/18/89/66/780188966.db2.gz YUELFVOUEUTICC-UHFFFAOYSA-N -1 1 336.392 2.500 20 0 EEADMM Cc1cc(N2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)nc(C)n1 ZINC000092703929 780614583 /nfs/dbraw/zinc/61/45/83/780614583.db2.gz LUQKZPMOPDBNPT-UHFFFAOYSA-N -1 1 334.370 2.399 20 0 EEADMM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001143570203 781336385 /nfs/dbraw/zinc/33/63/85/781336385.db2.gz SRVZBNNUQBFYHN-ZETCQYMHSA-N -1 1 343.265 2.399 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)cn1 ZINC001087552253 781812473 /nfs/dbraw/zinc/81/24/73/781812473.db2.gz VVCXZZHVPXAZCJ-LSDHHAIUSA-N -1 1 344.390 2.104 20 0 EEADMM C[C@H]1CN(C(=O)CCC2CCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945248626 783677017 /nfs/dbraw/zinc/67/70/17/783677017.db2.gz JTVKBOZVYRWDEG-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC1=C(C)C[C@@](C)(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001035137452 783876879 /nfs/dbraw/zinc/87/68/79/783876879.db2.gz QODNTPOQZHOIQH-KDOFPFPSSA-N -1 1 347.463 2.118 20 0 EEADMM CCC[C@@H](NC(=O)Cc1coc2c1ccc(F)c2F)c1nn[n-]n1 ZINC000906930950 784248249 /nfs/dbraw/zinc/24/82/49/784248249.db2.gz SLJITRMERHGUKH-LLVKDONJSA-N -1 1 335.314 2.424 20 0 EEADMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCc2nn[nH]c21 ZINC000816952480 784370286 /nfs/dbraw/zinc/37/02/86/784370286.db2.gz MAJFUVWISYMNMA-LLVKDONJSA-N -1 1 340.305 2.491 20 0 EEADMM Cc1ccnc(C2CCN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2)n1 ZINC000907353109 784558484 /nfs/dbraw/zinc/55/84/84/784558484.db2.gz WZXOAUSYKMSUQD-UHFFFAOYSA-N -1 1 339.399 2.178 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C[C@@H](O)Cc1ccccc1 ZINC000817220518 784588774 /nfs/dbraw/zinc/58/87/74/784588774.db2.gz JCEFDAASMRCKBL-HNNXBMFYSA-N -1 1 343.427 2.290 20 0 EEADMM CC(=O)N1CCc2c1cccc2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907436929 784600865 /nfs/dbraw/zinc/60/08/65/784600865.db2.gz KBFFLCCCYCVVOL-UHFFFAOYSA-N -1 1 338.367 2.221 20 0 EEADMM Cc1ccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(Cl)c1 ZINC000907473313 784642558 /nfs/dbraw/zinc/64/25/58/784642558.db2.gz FYAPLSHRJIRRJR-GFCCVEGCSA-N -1 1 337.836 2.021 20 0 EEADMM Cc1ccc(C)c(SCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907475471 784644538 /nfs/dbraw/zinc/64/45/38/784644538.db2.gz KGSTWFBVFOXQRB-LBPRGKRZSA-N -1 1 349.485 2.225 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945718669 784712687 /nfs/dbraw/zinc/71/26/87/784712687.db2.gz OLSGZQSZRQMXFN-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM CCN(C)[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccccc1 ZINC000907952612 784982286 /nfs/dbraw/zinc/98/22/86/784982286.db2.gz KLNKXBGHZCVTQG-NNXHMXCWSA-N -1 1 330.428 2.295 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945922333 785054953 /nfs/dbraw/zinc/05/49/53/785054953.db2.gz WKLADBGUTMSVPE-OLZOCXBDSA-N -1 1 347.390 2.114 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1cc(C)ccc1Cl ZINC000817956703 785103028 /nfs/dbraw/zinc/10/30/28/785103028.db2.gz AVUDVCUCTCKSAS-UHFFFAOYSA-N -1 1 344.776 2.316 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000946026625 785318154 /nfs/dbraw/zinc/31/81/54/785318154.db2.gz ZLUPZSWRABWOJP-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1n[nH]cc1C(F)(F)F ZINC000908613725 785591029 /nfs/dbraw/zinc/59/10/29/785591029.db2.gz UKORPFHKSRVMPU-HGNGGELXSA-N -1 1 331.294 2.286 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)[C@@H](C(=O)[O-])C1 ZINC000908747498 785686688 /nfs/dbraw/zinc/68/66/88/785686688.db2.gz RTGBWMXDYPJNNX-UPJWGTAASA-N -1 1 339.461 2.246 20 0 EEADMM Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC000908802284 785736848 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CN1CCC[C@@H]1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909787113 786247926 /nfs/dbraw/zinc/24/79/26/786247926.db2.gz BOSSXRLHKVHKST-HYVNUMGLSA-N -1 1 330.428 2.160 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)N1CCc2ccccc2C1 ZINC000909903153 786334719 /nfs/dbraw/zinc/33/47/19/786334719.db2.gz FLEBOUUVTCGDRU-DOPJRALCSA-N -1 1 342.439 2.002 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc12 ZINC000910169586 786493450 /nfs/dbraw/zinc/49/34/50/786493450.db2.gz DZQYYQRGSCETII-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM CC[C@@H](CCc1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910206096 786546455 /nfs/dbraw/zinc/54/64/55/786546455.db2.gz QXZORQRWIYCTQE-SJORKVTESA-N -1 1 332.444 2.311 20 0 EEADMM CCSc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccn1 ZINC000821461156 786745201 /nfs/dbraw/zinc/74/52/01/786745201.db2.gz KVLYBKCQQMFBBX-UHFFFAOYSA-N -1 1 333.402 2.083 20 0 EEADMM CCSc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccn1 ZINC000821461156 786745205 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CC[C@H](C(=O)[O-])C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000911190488 787289976 /nfs/dbraw/zinc/28/99/76/787289976.db2.gz GYHQOFBLJPGITD-HOCLYGCPSA-N -1 1 348.443 2.449 20 0 EEADMM O=C([O-])C12CC(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)(C1)C2 ZINC000911180073 787301850 /nfs/dbraw/zinc/30/18/50/787301850.db2.gz JOWGDJYKWNBSRF-UHFFFAOYSA-N -1 1 346.402 2.161 20 0 EEADMM C[C@H](CNC(=O)c1csc(C(=O)[O-])n1)N1CCc2ccccc2C1 ZINC000911303267 787366555 /nfs/dbraw/zinc/36/65/55/787366555.db2.gz HPEKKOWXWLXBIM-LLVKDONJSA-N -1 1 345.424 2.018 20 0 EEADMM CC/C(C)=C/C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149258 787483035 /nfs/dbraw/zinc/48/30/35/787483035.db2.gz GVYLOLDOLIZVIQ-YPDDLIOESA-N -1 1 331.416 2.254 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000911591865 787577420 /nfs/dbraw/zinc/57/74/20/787577420.db2.gz WGSYUVGATUAXJZ-UHFFFAOYSA-N -1 1 327.384 2.365 20 0 EEADMM O=C(NCc1nc(C2CC2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269836 787647596 /nfs/dbraw/zinc/64/75/96/787647596.db2.gz QBYIALKVFNJJTF-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1nc(C2CC2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269836 787647604 /nfs/dbraw/zinc/64/76/04/787647604.db2.gz QBYIALKVFNJJTF-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM CCN(CC)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000911732224 787693479 /nfs/dbraw/zinc/69/34/79/787693479.db2.gz LCQQRXLZZOJTPS-QGZVFWFLSA-N -1 1 341.411 2.479 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CC(F)(F)F)C1CCC1 ZINC000823479002 787773222 /nfs/dbraw/zinc/77/32/22/787773222.db2.gz ZAPPKBVFRLYMKJ-UHFFFAOYSA-N -1 1 331.323 2.485 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CC(F)(F)F)C1CCC1 ZINC000823479002 787773224 /nfs/dbraw/zinc/77/32/24/787773224.db2.gz ZAPPKBVFRLYMKJ-UHFFFAOYSA-N -1 1 331.323 2.485 20 0 EEADMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H](C)C(=O)N1C ZINC000912007902 787869144 /nfs/dbraw/zinc/86/91/44/787869144.db2.gz VGGCTBSCAYZBFV-UTUOFQBUSA-N -1 1 342.395 2.331 20 0 EEADMM CSCC[C@H](NC(=O)Cc1cc2ccccc2o1)c1nn[n-]n1 ZINC000912860165 788418117 /nfs/dbraw/zinc/41/81/17/788418117.db2.gz JMWOUCUEUJITEV-LBPRGKRZSA-N -1 1 331.401 2.099 20 0 EEADMM CSCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1nn[n-]n1 ZINC000912860505 788418770 /nfs/dbraw/zinc/41/87/70/788418770.db2.gz WZFAZKGZVXOBNP-AGIUHOORSA-N -1 1 335.408 2.053 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(Cl)ccc1F)c1nn[n-]n1 ZINC000912860631 788420334 /nfs/dbraw/zinc/42/03/34/788420334.db2.gz ZDMSLLBFBWAMGR-JTQLQIEISA-N -1 1 329.788 2.216 20 0 EEADMM CCC[C@@H](C(=O)N[C@@H](CCSC)c1nn[n-]n1)c1ccccn1 ZINC000912861892 788423596 /nfs/dbraw/zinc/42/35/96/788423596.db2.gz BBFXXDJHCLAHBV-YPMHNXCESA-N -1 1 334.449 2.089 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H](OC(C)C)c1ccccc1)c1nn[n-]n1 ZINC000912863158 788427217 /nfs/dbraw/zinc/42/72/17/788427217.db2.gz NCUGBPONNUZARH-KBPBESRZSA-N -1 1 349.460 2.276 20 0 EEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825253138 788536817 /nfs/dbraw/zinc/53/68/17/788536817.db2.gz MBCZEPVZTNPKPN-RYUDHWBXSA-N -1 1 332.408 2.181 20 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Cc1nc2c(NC(=O)c3c(CO)cnc(C)c3[O-])cccn2c1C ZINC001147836900 791996029 /nfs/dbraw/zinc/99/60/29/791996029.db2.gz UAAYFBYOHMWOHI-UHFFFAOYSA-N -1 1 326.356 2.105 20 0 EEADMM O=C(NCCC1(CNc2cccc(F)n2)CC1)c1ncccc1[O-] ZINC001089926762 792076359 /nfs/dbraw/zinc/07/63/59/792076359.db2.gz CKXAEKNGMNQWBE-UHFFFAOYSA-N -1 1 330.363 2.334 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CC(C)(C)C[C@]3(C)CO)cc2)[n-]1 ZINC001148329664 792341802 /nfs/dbraw/zinc/34/18/02/792341802.db2.gz VVVXRKMPFDXULF-LJQANCHMSA-N -1 1 343.427 2.422 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCOC[C@H]3C(C)C)cc2)[n-]1 ZINC001148333113 792342622 /nfs/dbraw/zinc/34/26/22/792342622.db2.gz NSGXWXWSEJVDSL-INIZCTEOSA-N -1 1 329.400 2.296 20 0 EEADMM Cc1cccc(C(=O)NC2CC(CNC(=O)c3ncccc3[O-])C2)c1 ZINC000992049722 792470769 /nfs/dbraw/zinc/47/07/69/792470769.db2.gz QEUFYUAGFNIRJS-UHFFFAOYSA-N -1 1 339.395 2.034 20 0 EEADMM O=C(NC1CC(CNC(=O)c2ncccc2[O-])C1)C(F)=C1CCCC1 ZINC000992050647 792475584 /nfs/dbraw/zinc/47/55/84/792475584.db2.gz 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ZINC000183454884 533735993 /nfs/dbraw/zinc/73/59/93/533735993.db2.gz VCMITKSUXDDPDL-LBPRGKRZSA-N -1 1 336.399 2.446 20 0 EEADMM Cc1nsc(N2CCCN(C(=O)c3ccc([O-])cc3F)CC2)n1 ZINC000181243196 534501806 /nfs/dbraw/zinc/50/18/06/534501806.db2.gz YLESSRAKUDQGMY-UHFFFAOYSA-N -1 1 336.392 2.044 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)nc1 ZINC000425328633 535002920 /nfs/dbraw/zinc/00/29/20/535002920.db2.gz XWVKUEKHOAXMPS-UHFFFAOYSA-N -1 1 346.387 2.367 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](C)SC)c2)n1 ZINC000447676068 535730333 /nfs/dbraw/zinc/73/03/33/535730333.db2.gz PLAXZYVNNPGBPH-SNVBAGLBSA-N -1 1 348.428 2.016 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CC3(C)C)c2)n1 ZINC000447683697 535730812 /nfs/dbraw/zinc/73/08/12/535730812.db2.gz SIYCYAYMYILBEQ-CYBMUJFWSA-N -1 1 342.399 2.311 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738237162 578005541 /nfs/dbraw/zinc/00/55/41/578005541.db2.gz YEPCSDOSXNACTQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738237162 578005542 /nfs/dbraw/zinc/00/55/42/578005542.db2.gz YEPCSDOSXNACTQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1c1nccs1 ZINC000738258701 578006341 /nfs/dbraw/zinc/00/63/41/578006341.db2.gz LOZBJAICYKHAIJ-GFCCVEGCSA-N -1 1 341.400 2.086 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1c1nccs1 ZINC000738258701 578006342 /nfs/dbraw/zinc/00/63/42/578006342.db2.gz LOZBJAICYKHAIJ-GFCCVEGCSA-N -1 1 341.400 2.086 20 0 EEADMM c1ccc(COc2cccc(Nc3nccnc3-c3nnn[n-]3)c2)nc1 ZINC000738432903 578014770 /nfs/dbraw/zinc/01/47/70/578014770.db2.gz NOFGMGYSPNSMAR-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(COc2cccc(Nc3nccnc3-c3nn[n-]n3)c2)nc1 ZINC000738432903 578014771 /nfs/dbraw/zinc/01/47/71/578014771.db2.gz NOFGMGYSPNSMAR-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCOC1CCCC1 ZINC000738438139 578015205 /nfs/dbraw/zinc/01/52/05/578015205.db2.gz XNMHZSQYGIGOEU-UHFFFAOYSA-N -1 1 325.376 2.181 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCOC1CCCC1 ZINC000738438139 578015206 /nfs/dbraw/zinc/01/52/06/578015206.db2.gz XNMHZSQYGIGOEU-UHFFFAOYSA-N -1 1 325.376 2.181 20 0 EEADMM Cc1ccccc1[C@@H]1CC(=O)N(CN2CCC(CC(=O)[O-])CC2)C1 ZINC000738321690 576314481 /nfs/dbraw/zinc/31/44/81/576314481.db2.gz OEGVABVAHHLNCI-MRXNPFEDSA-N -1 1 330.428 2.455 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cc(C)ccc1Cl ZINC000750956405 576485248 /nfs/dbraw/zinc/48/52/48/576485248.db2.gz IUUPQQVFJUZWRT-UHFFFAOYSA-N -1 1 344.776 2.234 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(F)cc1 ZINC000729289129 576627074 /nfs/dbraw/zinc/62/70/74/576627074.db2.gz XNEQIMXGAROCNS-UHFFFAOYSA-N -1 1 329.331 2.477 20 0 EEADMM Cc1ccc2oc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3)cc2n1 ZINC000729724490 576675381 /nfs/dbraw/zinc/67/53/81/576675381.db2.gz MTPRBHXEZPKMGO-UHFFFAOYSA-N -1 1 338.319 2.250 20 0 EEADMM O=C(Nc1cccc(-n2ccnc2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773826693 577366588 /nfs/dbraw/zinc/36/65/88/577366588.db2.gz ZQIPZFQDTGQBIA-UHFFFAOYSA-N -1 1 336.380 2.456 20 0 EEADMM C[C@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cccc(F)c1 ZINC000776564569 577462522 /nfs/dbraw/zinc/46/25/22/577462522.db2.gz NKPNOCQGHJDXOO-ZWNOBZJWSA-N -1 1 335.408 2.149 20 0 EEADMM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1c([O-])cccc1Cl ZINC000769742156 577583344 /nfs/dbraw/zinc/58/33/44/577583344.db2.gz FAGQRWFRTQZQJU-LLVKDONJSA-N -1 1 342.848 2.428 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@@H]1CCCOC1 ZINC000760775795 577669470 /nfs/dbraw/zinc/66/94/70/577669470.db2.gz UARCJSADAUSKRQ-GFCCVEGCSA-N -1 1 327.402 2.032 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)OC1CCCCC1 ZINC000752713173 577774989 /nfs/dbraw/zinc/77/49/89/577774989.db2.gz RCBVDQJMYHUOOJ-UHFFFAOYSA-N -1 1 335.404 2.220 20 0 EEADMM Cc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(=O)[nH]1 ZINC000744539569 577899708 /nfs/dbraw/zinc/89/97/08/577899708.db2.gz ODCNOQPJVCKTRT-UHFFFAOYSA-N -1 1 327.292 2.265 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000747208169 577940847 /nfs/dbraw/zinc/94/08/47/577940847.db2.gz WESCXBZPGVSTNL-CYBMUJFWSA-N -1 1 345.403 2.242 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000747381590 577943206 /nfs/dbraw/zinc/94/32/06/577943206.db2.gz ZXABTRDOZXXJRA-LBPRGKRZSA-N -1 1 329.404 2.357 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=S)NCCSc2ccccc2)n1 ZINC000747654743 577947630 /nfs/dbraw/zinc/94/76/30/577947630.db2.gz QDFWLIQHLKOHRU-UHFFFAOYSA-N -1 1 349.485 2.377 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC[C@@H]1CCCC1=O ZINC000748180096 577956687 /nfs/dbraw/zinc/95/66/87/577956687.db2.gz BMLCAHKRHUDBSU-LBPRGKRZSA-N -1 1 339.413 2.364 20 0 EEADMM NC(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000748966791 577969578 /nfs/dbraw/zinc/96/95/78/577969578.db2.gz JJGNPKGSQXUMBG-UHFFFAOYSA-N -1 1 345.332 2.016 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H](C)C2CCCC2)cc1 ZINC000750476874 577992875 /nfs/dbraw/zinc/99/28/75/577992875.db2.gz QFHMWSQEMHIYRN-LBPRGKRZSA-N -1 1 333.384 2.321 20 0 EEADMM Cc1oc(CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000738970105 578033069 /nfs/dbraw/zinc/03/30/69/578033069.db2.gz RLRXYPXRYMBWHP-QGZVFWFLSA-N -1 1 344.411 2.418 20 0 EEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000739919625 578073379 /nfs/dbraw/zinc/07/33/79/578073379.db2.gz COGXLWPYTWJNRI-VURMDHGXSA-N -1 1 341.776 2.034 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000740203483 578085515 /nfs/dbraw/zinc/08/55/15/578085515.db2.gz QVQALWNDFGXZAQ-OAHLLOKOSA-N -1 1 325.372 2.226 20 0 EEADMM O=C(CCCn1ccccc1=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000735114428 578135449 /nfs/dbraw/zinc/13/54/49/578135449.db2.gz IYTCGYXPWZQIOY-UHFFFAOYSA-N -1 1 338.367 2.363 20 0 EEADMM Cc1nc(C(C)(C)NCn2[n-]c(-c3ccccn3)nc2=S)no1 ZINC000735297565 578142935 /nfs/dbraw/zinc/14/29/35/578142935.db2.gz FXXCOVPQRDVIPW-UHFFFAOYSA-N -1 1 331.405 2.177 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC000736213539 578187744 /nfs/dbraw/zinc/18/77/44/578187744.db2.gz JZEKLKMUDPDSDQ-OAHLLOKOSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC000736213539 578187745 /nfs/dbraw/zinc/18/77/45/578187745.db2.gz JZEKLKMUDPDSDQ-OAHLLOKOSA-N -1 1 334.383 2.485 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736238267 578189708 /nfs/dbraw/zinc/18/97/08/578189708.db2.gz UOHNOBQOZGKTFP-ZLDLUXBVSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736238267 578189709 /nfs/dbraw/zinc/18/97/09/578189709.db2.gz UOHNOBQOZGKTFP-ZLDLUXBVSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)(C)c1nc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3)CCO2)n[nH]1 ZINC000736299699 578194082 /nfs/dbraw/zinc/19/40/82/578194082.db2.gz PXEOKWXNGGUERG-ZIAGYGMSSA-N -1 1 344.415 2.301 20 0 EEADMM CC(C)(C)c1nnc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000736299699 578194083 /nfs/dbraw/zinc/19/40/83/578194083.db2.gz PXEOKWXNGGUERG-ZIAGYGMSSA-N -1 1 344.415 2.301 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736396200 578201213 /nfs/dbraw/zinc/20/12/13/578201213.db2.gz PQVYPXCSGQDUDQ-QGZVFWFLSA-N -1 1 343.427 2.138 20 0 EEADMM CC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736402920 578201346 /nfs/dbraw/zinc/20/13/46/578201346.db2.gz QGFLGJPPUGEQRU-VIFPVBQESA-N -1 1 341.824 2.083 20 0 EEADMM CC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736402920 578201347 /nfs/dbraw/zinc/20/13/47/578201347.db2.gz QGFLGJPPUGEQRU-VIFPVBQESA-N -1 1 341.824 2.083 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736785637 578223386 /nfs/dbraw/zinc/22/33/86/578223386.db2.gz UOPFVFKGHZWPQV-HUUCEWRRSA-N -1 1 340.464 2.075 20 0 EEADMM C[C@@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736796734 578224152 /nfs/dbraw/zinc/22/41/52/578224152.db2.gz ZBIUJRJJODLQJT-CXAGYDPISA-N -1 1 343.427 2.012 20 0 EEADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736829038 578226049 /nfs/dbraw/zinc/22/60/49/578226049.db2.gz VKBXYDSYAVVLAF-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736829038 578226050 /nfs/dbraw/zinc/22/60/50/578226050.db2.gz VKBXYDSYAVVLAF-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736844264 578226824 /nfs/dbraw/zinc/22/68/24/578226824.db2.gz UPLUVNNITORMPY-UHFFFAOYSA-N -1 1 349.803 2.345 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2c(F)cccc2Cl)co1 ZINC000756407179 578236861 /nfs/dbraw/zinc/23/68/61/578236861.db2.gz YMTHUSNNJJKBCI-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM COc1ccc(C[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000737087601 578237367 /nfs/dbraw/zinc/23/73/67/578237367.db2.gz NLRZDZHPHWKHRF-LLVKDONJSA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc(C[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000737087601 578237368 /nfs/dbraw/zinc/23/73/68/578237368.db2.gz NLRZDZHPHWKHRF-LLVKDONJSA-N -1 1 340.387 2.322 20 0 EEADMM CCN(CCC(=O)[O-])C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000737096703 578237871 /nfs/dbraw/zinc/23/78/71/578237871.db2.gz BOEANPOPQNLDLX-UHFFFAOYSA-N -1 1 340.177 2.262 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000737358438 578252486 /nfs/dbraw/zinc/25/24/86/578252486.db2.gz MJQDZQCDVWXBJL-BPCQOVAHSA-N -1 1 339.461 2.293 20 0 EEADMM CN(CCC(=O)N(C)CC(=O)[O-])Cc1cccc(Cl)c1Cl ZINC000737412517 578256114 /nfs/dbraw/zinc/25/61/14/578256114.db2.gz QWNHJTGMCUGMSL-UHFFFAOYSA-N -1 1 333.215 2.358 20 0 EEADMM Cc1ccccc1OCCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737431617 578257172 /nfs/dbraw/zinc/25/71/72/578257172.db2.gz KZXBALGYQWOPFW-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM Cc1ccccc1OCCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737431617 578257173 /nfs/dbraw/zinc/25/71/73/578257173.db2.gz KZXBALGYQWOPFW-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM O=C(CCNc1snc(Cl)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000737849087 578270867 /nfs/dbraw/zinc/27/08/67/578270867.db2.gz XXNUFXRRXKRXCO-UHFFFAOYSA-N -1 1 349.807 2.417 20 0 EEADMM O=C(CCNc1snc(Cl)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000737849087 578270868 /nfs/dbraw/zinc/27/08/68/578270868.db2.gz XXNUFXRRXKRXCO-UHFFFAOYSA-N -1 1 349.807 2.417 20 0 EEADMM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1ccc(C(C)=O)cc1 ZINC000737853315 578271236 /nfs/dbraw/zinc/27/12/36/578271236.db2.gz FQAVYRARTVLWNZ-KRWDZBQOSA-N -1 1 346.427 2.290 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026397 578277040 /nfs/dbraw/zinc/27/70/40/578277040.db2.gz RFIMNXAHCQHWDJ-NXEZZACHSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026397 578277041 /nfs/dbraw/zinc/27/70/41/578277041.db2.gz RFIMNXAHCQHWDJ-NXEZZACHSA-N -1 1 340.309 2.113 20 0 EEADMM O[C@@H](C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823673408 599106043 /nfs/dbraw/zinc/10/60/43/599106043.db2.gz LUJFNLKLNNMOQA-HOCLYGCPSA-N -1 1 336.399 2.354 20 0 EEADMM O[C@@H](C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823673408 599106047 /nfs/dbraw/zinc/10/60/47/599106047.db2.gz LUJFNLKLNNMOQA-HOCLYGCPSA-N -1 1 336.399 2.354 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCCOC2)c2ccc(Cl)cc12 ZINC000823657057 607259284 /nfs/dbraw/zinc/25/92/84/607259284.db2.gz MPLUUTASYQFRNP-JTQLQIEISA-N -1 1 345.790 2.262 20 0 EEADMM CC(C)[C@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000817977725 597108955 /nfs/dbraw/zinc/10/89/55/597108955.db2.gz ZYOFXMWTBGOJPQ-GJZGRUSLSA-N -1 1 347.440 2.048 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)n[nH]1 ZINC000820061366 597511050 /nfs/dbraw/zinc/51/10/50/597511050.db2.gz GIKNCICVNATKMM-JTQLQIEISA-N -1 1 331.376 2.438 20 0 EEADMM CCOc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1C ZINC000321310115 600515341 /nfs/dbraw/zinc/51/53/41/600515341.db2.gz BHUFUPRMIZPCPL-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM Cc1oc(NC(=O)CN(C)c2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000822309297 607450257 /nfs/dbraw/zinc/45/02/57/607450257.db2.gz SYJKEORQURFAAD-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM NC(=O)CN(CCOc1ccc(C(=O)[O-])cc1Cl)C1CCCC1 ZINC000833082767 600826924 /nfs/dbraw/zinc/82/69/24/600826924.db2.gz ZFPDZBWLPHGNAN-UHFFFAOYSA-N -1 1 340.807 2.147 20 0 EEADMM Cc1nnc(SCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[nH]1 ZINC000832991135 600962926 /nfs/dbraw/zinc/96/29/26/600962926.db2.gz QOMHLAJXBSAWPZ-UHFFFAOYSA-N -1 1 326.765 2.196 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000832991135 600962928 /nfs/dbraw/zinc/96/29/28/600962928.db2.gz QOMHLAJXBSAWPZ-UHFFFAOYSA-N -1 1 326.765 2.196 20 0 EEADMM CCN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)c1nc2ccccc2s1 ZINC000829597548 601038877 /nfs/dbraw/zinc/03/88/77/601038877.db2.gz PFNSTWGFKUNTPE-QGZVFWFLSA-N -1 1 347.440 2.492 20 0 EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833006667 601102609 /nfs/dbraw/zinc/10/26/09/601102609.db2.gz RAFFZTQNPGWXNP-ZDUSSCGKSA-N -1 1 341.411 2.164 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCSc3ccccc32)CC1 ZINC000827354094 601104436 /nfs/dbraw/zinc/10/44/36/601104436.db2.gz 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C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nnc[nH]1 ZINC000833522292 605510306 /nfs/dbraw/zinc/51/03/06/605510306.db2.gz ISJJNCBVICBYQD-CMPLNLGQSA-N -1 1 331.376 2.017 20 0 EEADMM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000831592092 605712472 /nfs/dbraw/zinc/71/24/72/605712472.db2.gz OEKUECPHRYEBJQ-INIZCTEOSA-N -1 1 340.383 2.119 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000823027326 606138167 /nfs/dbraw/zinc/13/81/67/606138167.db2.gz RBQJECWVPVMVEL-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000823027326 606138169 /nfs/dbraw/zinc/13/81/69/606138169.db2.gz RBQJECWVPVMVEL-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM COc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821846591 606140280 /nfs/dbraw/zinc/14/02/80/606140280.db2.gz VDYOCVIOSRWSNC-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821846591 606140282 /nfs/dbraw/zinc/14/02/82/606140282.db2.gz 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ZINC000822792420 606420719 /nfs/dbraw/zinc/42/07/19/606420719.db2.gz VVHDRVYLCWUIHI-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1nccnc1-c1nn[n-]n1 ZINC000822792420 606420721 /nfs/dbraw/zinc/42/07/21/606420721.db2.gz VVHDRVYLCWUIHI-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM CCNc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000821314322 606444852 /nfs/dbraw/zinc/44/48/52/606444852.db2.gz JUHMXVDUZHXSFQ-UHFFFAOYSA-N -1 1 340.825 2.350 20 0 EEADMM CCNc1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000821314322 606444853 /nfs/dbraw/zinc/44/48/53/606444853.db2.gz JUHMXVDUZHXSFQ-UHFFFAOYSA-N -1 1 340.825 2.350 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820045941 606447819 /nfs/dbraw/zinc/44/78/19/606447819.db2.gz OVLLGSAAGOJJSX-GWCFXTLKSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820045941 606447821 /nfs/dbraw/zinc/44/78/21/606447821.db2.gz OVLLGSAAGOJJSX-GWCFXTLKSA-N -1 1 335.433 2.109 20 0 EEADMM CN(CCc1ccncc1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821607136 606462605 /nfs/dbraw/zinc/46/26/05/606462605.db2.gz ANJNOLHUDPTYGE-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CN(CCc1ccncc1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821607136 606462607 /nfs/dbraw/zinc/46/26/07/606462607.db2.gz ANJNOLHUDPTYGE-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563483 606465261 /nfs/dbraw/zinc/46/52/61/606465261.db2.gz RBUVLMBGNNROAW-ZWNOBZJWSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563483 606465263 /nfs/dbraw/zinc/46/52/63/606465263.db2.gz RBUVLMBGNNROAW-ZWNOBZJWSA-N -1 1 344.806 2.492 20 0 EEADMM COc1ccccc1CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821897226 606492244 /nfs/dbraw/zinc/49/22/44/606492244.db2.gz GPEGBHIQVFERHQ-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1ccccc1CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821897226 606492245 /nfs/dbraw/zinc/49/22/45/606492245.db2.gz GPEGBHIQVFERHQ-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccc(F)cc1 ZINC000820268717 606575280 /nfs/dbraw/zinc/57/52/80/606575280.db2.gz DPVCTDWAZDPYPZ-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccc(F)cc1 ZINC000820268717 606575282 /nfs/dbraw/zinc/57/52/82/606575282.db2.gz DPVCTDWAZDPYPZ-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822361468 606576406 /nfs/dbraw/zinc/57/64/06/606576406.db2.gz BTXFVMYROYPYDN-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822361468 606576408 /nfs/dbraw/zinc/57/64/08/606576408.db2.gz BTXFVMYROYPYDN-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000822395206 606645655 /nfs/dbraw/zinc/64/56/55/606645655.db2.gz WHGLNQGNWMIGHL-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM Cc1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000822395206 606645656 /nfs/dbraw/zinc/64/56/56/606645656.db2.gz WHGLNQGNWMIGHL-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM COC(=O)c1csc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821671292 606739446 /nfs/dbraw/zinc/73/94/46/606739446.db2.gz PVIQZDXTRHZCIA-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COC(=O)c1csc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821671292 606739448 /nfs/dbraw/zinc/73/94/48/606739448.db2.gz PVIQZDXTRHZCIA-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2cccc(F)c2o1 ZINC000823379695 607106596 /nfs/dbraw/zinc/10/65/96/607106596.db2.gz DSBVRPYTGWNMIZ-UHFFFAOYSA-N -1 1 330.304 2.461 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2cccc(F)c2o1 ZINC000823379695 607106598 /nfs/dbraw/zinc/10/65/98/607106598.db2.gz DSBVRPYTGWNMIZ-UHFFFAOYSA-N -1 1 330.304 2.461 20 0 EEADMM O=C(CCn1ccc2ccccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822986244 607106898 /nfs/dbraw/zinc/10/68/98/607106898.db2.gz BCMWTNBZUYKGSC-UHFFFAOYSA-N -1 1 339.384 2.307 20 0 EEADMM O=C(CCn1ccc2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822986244 607106900 /nfs/dbraw/zinc/10/69/00/607106900.db2.gz BCMWTNBZUYKGSC-UHFFFAOYSA-N -1 1 339.384 2.307 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(-c2cccs2)[nH]n1 ZINC000823380079 607108721 /nfs/dbraw/zinc/10/87/21/607108721.db2.gz PJVJHERIOZNCIR-UHFFFAOYSA-N -1 1 344.385 2.027 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1F ZINC000823436153 607132334 /nfs/dbraw/zinc/13/23/34/607132334.db2.gz JLLYLUOMZHQGNP-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1F ZINC000823436153 607132336 /nfs/dbraw/zinc/13/23/36/607132336.db2.gz JLLYLUOMZHQGNP-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM CC(C)N(CCc1nccs1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824293663 607824115 /nfs/dbraw/zinc/82/41/15/607824115.db2.gz VVVJWFNFGUOPIG-UHFFFAOYSA-N -1 1 348.457 2.478 20 0 EEADMM CC(C)N(CCc1nccs1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824293663 607824116 /nfs/dbraw/zinc/82/41/16/607824116.db2.gz VVVJWFNFGUOPIG-UHFFFAOYSA-N -1 1 348.457 2.478 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCC(C)(C)c2ccccc2)n1 ZINC000826356932 607829957 /nfs/dbraw/zinc/82/99/57/607829957.db2.gz LCUOCSOPHRQMEE-UHFFFAOYSA-N -1 1 339.403 2.297 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCC(C)(C)c2ccccc2)n1 ZINC000826356932 607829958 /nfs/dbraw/zinc/82/99/58/607829958.db2.gz LCUOCSOPHRQMEE-UHFFFAOYSA-N -1 1 339.403 2.297 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292702 607868376 /nfs/dbraw/zinc/86/83/76/607868376.db2.gz IGYBAOBWKOCEON-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292702 607868377 /nfs/dbraw/zinc/86/83/77/607868377.db2.gz IGYBAOBWKOCEON-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763803 607900626 /nfs/dbraw/zinc/90/06/26/607900626.db2.gz PITSHGRNPVDBLF-BUBHHJDNSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763803 607900627 /nfs/dbraw/zinc/90/06/27/607900627.db2.gz PITSHGRNPVDBLF-BUBHHJDNSA-N -1 1 342.428 2.197 20 0 EEADMM Fc1ccccc1N1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000826378292 608098806 /nfs/dbraw/zinc/09/88/06/608098806.db2.gz CUFQARSONGVBPU-GFCCVEGCSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1ccccc1N1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000826378292 608098807 /nfs/dbraw/zinc/09/88/07/608098807.db2.gz CUFQARSONGVBPU-GFCCVEGCSA-N -1 1 339.378 2.482 20 0 EEADMM FC(F)(F)COc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826367809 608397228 /nfs/dbraw/zinc/39/72/28/608397228.db2.gz PJRYGSNQRIAVIA-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826367809 608397230 /nfs/dbraw/zinc/39/72/30/608397230.db2.gz PJRYGSNQRIAVIA-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826521299 608429501 /nfs/dbraw/zinc/42/95/01/608429501.db2.gz HHDJEYMHAKQHEI-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826521299 608429503 /nfs/dbraw/zinc/42/95/03/608429503.db2.gz HHDJEYMHAKQHEI-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC000826138225 608571597 /nfs/dbraw/zinc/57/15/97/608571597.db2.gz LACUEPZBJXKCHH-UHFFFAOYSA-N -1 1 343.412 2.103 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1ccc(CF)cc1)c1ncccc1[O-] ZINC001038193133 676057218 /nfs/dbraw/zinc/05/72/18/676057218.db2.gz HRUJXZBVFHFIGU-OAHLLOKOSA-N -1 1 329.375 2.261 20 0 EEADMM Nc1nc([O-])c(CC(=O)Nc2ccccc2N2CCCCCC2)s1 ZINC000079431707 675438020 /nfs/dbraw/zinc/43/80/20/675438020.db2.gz PXSXUUANDLDGJM-AWEZNQCLSA-N -1 1 346.456 2.352 20 0 EEADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000890769617 675615403 /nfs/dbraw/zinc/61/54/03/675615403.db2.gz BSOZKPJUOPHUKB-VXGBXAGGSA-N -1 1 340.445 2.441 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1cncc([O-])c1 ZINC000890818835 675663652 /nfs/dbraw/zinc/66/36/52/675663652.db2.gz NMWAIQOEEPOPJQ-UGSOOPFHSA-N -1 1 347.415 2.307 20 0 EEADMM O=C(N[C@@H](c1ccncc1)C1CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000890906162 675749007 /nfs/dbraw/zinc/74/90/07/675749007.db2.gz FRWLFQSRTHZDTC-CQSZACIVSA-N -1 1 325.397 2.294 20 0 EEADMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1OC ZINC000891630217 676737485 /nfs/dbraw/zinc/73/74/85/676737485.db2.gz GHJFHMXTEQCWEA-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)C[C@H]1C ZINC000947229017 677730202 /nfs/dbraw/zinc/73/02/02/677730202.db2.gz AGULPSNCUNMIDE-CABCVRRESA-N -1 1 340.427 2.274 20 0 EEADMM COCc1nc(N[C@H]2CCN(c3cccc(OC)c3)C2)cc(=O)[n-]1 ZINC000892311235 678698194 /nfs/dbraw/zinc/69/81/94/678698194.db2.gz SPAXHOKMKWJFHI-LBPRGKRZSA-N -1 1 330.388 2.028 20 0 EEADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](CO)CC(F)F)cnc1Cl ZINC000935650020 681550466 /nfs/dbraw/zinc/55/04/66/681550466.db2.gz XGJZSPDYLBJYKK-MRVPVSSYSA-N -1 1 328.693 2.268 20 0 EEADMM Cc1nc(CN2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)oc1C ZINC001023326538 679253002 /nfs/dbraw/zinc/25/30/02/679253002.db2.gz XILVESBNPARDIU-CQSZACIVSA-N -1 1 344.415 2.034 20 0 EEADMM COCc1nc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(=O)[n-]1 ZINC000894105991 681259146 /nfs/dbraw/zinc/25/91/46/681259146.db2.gz MRDFDVKYCBXQQD-NWDGAFQWSA-N -1 1 342.399 2.107 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccsc1)c1ncccc1[O-] ZINC000937210084 681683246 /nfs/dbraw/zinc/68/32/46/681683246.db2.gz BTPVOHSHMLHKDH-ZDUSSCGKSA-N -1 1 345.424 2.273 20 0 EEADMM CC1(C)CC(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])C1 ZINC000937384001 681983945 /nfs/dbraw/zinc/98/39/45/681983945.db2.gz AMZJXOJYYRLYNN-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC000982673265 682001232 /nfs/dbraw/zinc/00/12/32/682001232.db2.gz ODEKLOIORZTDDY-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM CC1CCC(C)(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000973200172 682297478 /nfs/dbraw/zinc/29/74/78/682297478.db2.gz ZAJJTVPLUMSYRK-DNPRYDFPSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)c2ccoc2)C1 ZINC000983742622 683236355 /nfs/dbraw/zinc/23/63/55/683236355.db2.gz VFLDUVOKBCUKBL-OCCSQVGLSA-N -1 1 343.383 2.051 20 0 EEADMM O=C(C=C1CCC1)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001025899310 683605544 /nfs/dbraw/zinc/60/55/44/683605544.db2.gz APWAMAAHLGPSEA-HUUCEWRRSA-N -1 1 341.411 2.055 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)Sc1ccccc1 ZINC000866885176 683822328 /nfs/dbraw/zinc/82/23/28/683822328.db2.gz DQFKQAORIIPTTJ-LBPRGKRZSA-N -1 1 348.515 2.263 20 0 EEADMM Cc1coc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000984113647 684115837 /nfs/dbraw/zinc/11/58/37/684115837.db2.gz LRQNWLCSZIQEDB-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)[C@H](C)CC(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059321250 684141633 /nfs/dbraw/zinc/14/16/33/684141633.db2.gz HCAZGBBTGAVXPQ-CABCVRRESA-N -1 1 347.459 2.438 20 0 EEADMM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000974055110 684265665 /nfs/dbraw/zinc/26/56/65/684265665.db2.gz ABVHVSMFQJKFIA-UTUOFQBUSA-N -1 1 345.424 2.029 20 0 EEADMM CC[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974058416 684272045 /nfs/dbraw/zinc/27/20/45/684272045.db2.gz XPWGXCFOWWZTHC-APIJFGDWSA-N -1 1 345.443 2.381 20 0 EEADMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ncsc2C2CC2)o1 ZINC000893277258 684463845 /nfs/dbraw/zinc/46/38/45/684463845.db2.gz AJWIGKDSZQHYJC-UHFFFAOYSA-N -1 1 341.414 2.116 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978746095 693867600 /nfs/dbraw/zinc/86/76/00/693867600.db2.gz YBFVZWAOUVIQNS-QJNYJZHLSA-N -1 1 345.443 2.094 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(Cc2ccc(Cl)nc2)C1 ZINC000949948550 684625667 /nfs/dbraw/zinc/62/56/67/684625667.db2.gz SFVIJPQPCHXKMY-UHFFFAOYSA-N -1 1 346.818 2.182 20 0 EEADMM Cc1nc(CNC2CCC(NC(=O)c3[nH]nc(C)c3[O-])CC2)cs1 ZINC001026479668 684688562 /nfs/dbraw/zinc/68/85/62/684688562.db2.gz MLHQVYBTGLCKEX-UHFFFAOYSA-N -1 1 349.460 2.019 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2=CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984762676 685156150 /nfs/dbraw/zinc/15/61/50/685156150.db2.gz UWTGPUPQKDICPU-UONOGXRCSA-N -1 1 329.400 2.007 20 0 EEADMM Cc1ccccc1N1CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000899967133 693946353 /nfs/dbraw/zinc/94/63/53/693946353.db2.gz AKMDXSYXIHRSIQ-UHFFFAOYSA-N -1 1 338.411 2.330 20 0 EEADMM O=C(CCC1CCC1)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515035 686275739 /nfs/dbraw/zinc/27/57/39/686275739.db2.gz PXESOSLLSBVPJI-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)C[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515891 686282964 /nfs/dbraw/zinc/28/29/64/686282964.db2.gz ACNKKRXKWPHNGW-GJZGRUSLSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(NC[C@@H](O)c1ccco1)c1ccc(Br)c([O-])c1 ZINC000305174011 687059459 /nfs/dbraw/zinc/05/94/59/687059459.db2.gz KSOMSZCEOLJHQM-LLVKDONJSA-N -1 1 326.146 2.211 20 0 EEADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000320732177 687452144 /nfs/dbraw/zinc/45/21/44/687452144.db2.gz NVVKRAGLDOXZDO-INIZCTEOSA-N -1 1 326.343 2.480 20 0 EEADMM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)oc1C ZINC001027380939 687813387 /nfs/dbraw/zinc/81/33/87/687813387.db2.gz OTQCGQYCONIQRD-AWEZNQCLSA-N -1 1 344.415 2.129 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976566363 687844059 /nfs/dbraw/zinc/84/40/59/687844059.db2.gz GALQQKHDFHEBQH-KBUPBQIOSA-N -1 1 345.443 2.381 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060167665 694221292 /nfs/dbraw/zinc/22/12/92/694221292.db2.gz OWFLKYAFTGHXIE-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](NC(=O)c1cnn[nH]1)C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000986753262 688885044 /nfs/dbraw/zinc/88/50/44/688885044.db2.gz HEIDRUICWXZVNL-ZDUSSCGKSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCCO1 ZINC000866944291 689138568 /nfs/dbraw/zinc/13/85/68/689138568.db2.gz SVHPVRRUPUVLDW-LLVKDONJSA-N -1 1 325.217 2.236 20 0 EEADMM Cc1nn(-c2ccccc2)cc1CN[C@H](C(=O)[O-])c1cnn(C)c1C ZINC000904047197 694282118 /nfs/dbraw/zinc/28/21/18/694282118.db2.gz CCJWRBCNURESQH-KRWDZBQOSA-N -1 1 339.399 2.138 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000987160764 689443617 /nfs/dbraw/zinc/44/36/17/689443617.db2.gz RBKBIAWXGVCXER-QLFBSQMISA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000263329820 689685484 /nfs/dbraw/zinc/68/54/84/689685484.db2.gz LGYYYXVTEFRJHD-WDEREUQCSA-N -1 1 331.347 2.399 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000263397567 689793343 /nfs/dbraw/zinc/79/33/43/689793343.db2.gz HBWNKSWVXGVXID-UHFFFAOYSA-N -1 1 326.400 2.308 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)c1ccccc1 ZINC000987934101 690181522 /nfs/dbraw/zinc/18/15/22/690181522.db2.gz YESIZTAOHCYASQ-AWEZNQCLSA-N -1 1 339.395 2.022 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@]12CCOC2=O ZINC000897453517 690557352 /nfs/dbraw/zinc/55/73/52/690557352.db2.gz MZTWSIGIKIUMGT-GOSISDBHSA-N -1 1 327.336 2.173 20 0 EEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C ZINC000897520201 690829628 /nfs/dbraw/zinc/82/96/28/690829628.db2.gz CARPDLYOSCZHNO-GXFFZTMASA-N -1 1 329.352 2.275 20 0 EEADMM CC(C)c1ccc(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@@H]2C)s1 ZINC000989837930 692363614 /nfs/dbraw/zinc/36/36/14/692363614.db2.gz IMHPENKZMMYHRE-QWRGUYRKSA-N -1 1 349.460 2.088 20 0 EEADMM CC(F)(F)C(=O)[N-]C1CN(C(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000990054090 692608749 /nfs/dbraw/zinc/60/87/49/692608749.db2.gz BHJDZTVJHOZBKY-UHFFFAOYSA-N -1 1 342.289 2.363 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977605602 692814614 /nfs/dbraw/zinc/81/46/14/692814614.db2.gz ZYHVTUXFDXFSNL-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM CC(C)c1ccc2occ(C(=O)[N-]N3C(=O)[C@@H](C)N(C)C3=O)c2c1 ZINC000899038919 693579775 /nfs/dbraw/zinc/57/97/75/693579775.db2.gz RXEULPWSHXYLDU-SNVBAGLBSA-N -1 1 329.356 2.484 20 0 EEADMM Cc1cc(C)c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(=O)[nH]1 ZINC000893542350 693710910 /nfs/dbraw/zinc/71/09/10/693710910.db2.gz XHZXDDCDFPJGGU-UHFFFAOYSA-N -1 1 330.388 2.261 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)C2CCCC2)C1)c1ncccc1[O-] ZINC000943202774 1192113376 /nfs/dbraw/zinc/11/33/76/1192113376.db2.gz CZQJPODKLRIVGP-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943205033 1192114503 /nfs/dbraw/zinc/11/45/03/1192114503.db2.gz APEGQLNVUXZRFF-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(CC1CCCC1)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943839841 1192601683 /nfs/dbraw/zinc/60/16/83/1192601683.db2.gz QZCDNYGHHLFHAF-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000943979665 1192735978 /nfs/dbraw/zinc/73/59/78/1192735978.db2.gz OEWNFJBVZXUCFN-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])ccc1Cl ZINC001408554156 1178133739 /nfs/dbraw/zinc/13/37/39/1178133739.db2.gz DCVDIQIMEJBJCE-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM CC1(C)CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])C1 ZINC000944271494 1192982369 /nfs/dbraw/zinc/98/23/69/1192982369.db2.gz SAYVTCSYXGEUDM-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)OC ZINC000395759759 1180912498 /nfs/dbraw/zinc/91/24/98/1180912498.db2.gz KDIKJNUPXMGVOF-UFBFGSQYSA-N -1 1 344.205 2.472 20 0 EEADMM O=C(c1ncccc1[O-])N1CC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC000944818329 1193217667 /nfs/dbraw/zinc/21/76/67/1193217667.db2.gz CQOMLUFKEVMCJE-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC1(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])c2ccccc2)CC1 ZINC001408958345 1183878818 /nfs/dbraw/zinc/87/88/18/1183878818.db2.gz PTZNXJROGWYMEJ-AWEZNQCLSA-N -1 1 339.395 2.175 20 0 EEADMM O=C(CCC1CC1)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000944886230 1193258972 /nfs/dbraw/zinc/25/89/72/1193258972.db2.gz CURRVOOCEGUDTR-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM C[C@H](CNCc1csc(Cl)n1)N(C)C(=O)c1ncccc1[O-] ZINC001482275865 1184972656 /nfs/dbraw/zinc/97/26/56/1184972656.db2.gz MMOCKOINMFWDBB-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001270411722 1185085875 /nfs/dbraw/zinc/08/58/75/1185085875.db2.gz SEPSGQXKELKJFT-KRWDZBQOSA-N -1 1 348.402 2.406 20 0 EEADMM NC(=O)c1ccc2c(n1)CCN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC001271216035 1186087120 /nfs/dbraw/zinc/08/71/20/1186087120.db2.gz WRLPKQREJBVCEB-UHFFFAOYSA-N -1 1 347.374 2.238 20 0 EEADMM CCCCNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(F)c(=O)[n-]1)CC2 ZINC001271743204 1186454787 /nfs/dbraw/zinc/45/47/87/1186454787.db2.gz VFTIKMLMWWJCOX-LBPRGKRZSA-N -1 1 349.406 2.085 20 0 EEADMM C[C@H](C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001088411474 1186822996 /nfs/dbraw/zinc/82/29/96/1186822996.db2.gz HULZCIMHQNWBRV-ZFWWWQNUSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)sc1C ZINC001088538700 1187190315 /nfs/dbraw/zinc/19/03/15/1187190315.db2.gz NEXCQGXPFZFSRL-YPMHNXCESA-N -1 1 346.456 2.253 20 0 EEADMM CC(C)CN1CC[C@]2(CCCN2C(=O)c2ccc([O-])cc2F)C1=O ZINC001272224009 1188378231 /nfs/dbraw/zinc/37/82/31/1188378231.db2.gz GYFHUDWKDYJQJW-GOSISDBHSA-N -1 1 334.391 2.394 20 0 EEADMM CC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)C[C@@H](C)CC ZINC001409319445 1188648582 /nfs/dbraw/zinc/64/85/82/1188648582.db2.gz QLUVDDYKNWSKPD-WCQYABFASA-N -1 1 348.447 2.120 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccc(F)c(F)c1 ZINC001076245164 1188807545 /nfs/dbraw/zinc/80/75/45/1188807545.db2.gz QSHOWKLZDPATHF-JTQLQIEISA-N -1 1 349.337 2.004 20 0 EEADMM C[C@@H](CCNC(=O)CC(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001076382357 1188880305 /nfs/dbraw/zinc/88/03/05/1188880305.db2.gz NROISDMHINYOHR-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077404624 1189528429 /nfs/dbraw/zinc/52/84/29/1189528429.db2.gz CXIQSYWNLDEGHB-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)c1ncccc1[O-] ZINC000991068646 1189833456 /nfs/dbraw/zinc/83/34/56/1189833456.db2.gz UKTKERINOBRHIB-MJBXVCDLSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(C)CCN(Cc2cn(CC(=O)[O-])nn2)C[C@@H]1c1ccccc1 ZINC000905773055 1189916871 /nfs/dbraw/zinc/91/68/71/1189916871.db2.gz FQAQMJUPSZISKG-MRXNPFEDSA-N -1 1 328.416 2.378 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(F)ccc1C ZINC001409834766 1190665992 /nfs/dbraw/zinc/66/59/92/1190665992.db2.gz OPIOYWSXSPACOL-ZDUSSCGKSA-N -1 1 349.410 2.036 20 0 EEADMM CC[C@H](C)N1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1=O ZINC001272386678 1190796470 /nfs/dbraw/zinc/79/64/70/1190796470.db2.gz LYJSYSLHVPPNAQ-KPZWWZAWSA-N -1 1 334.391 2.394 20 0 EEADMM Cc1cnc([C@H](C)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)o1 ZINC001005294876 1195115173 /nfs/dbraw/zinc/11/51/73/1195115173.db2.gz FVXIKVPRRRMRRO-ZDUSSCGKSA-N -1 1 344.415 2.381 20 0 EEADMM O=C(CCC1CC1)N1CCCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001005403632 1195380092 /nfs/dbraw/zinc/38/00/92/1195380092.db2.gz DILQTNMESUZXJC-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001005527102 1195970893 /nfs/dbraw/zinc/97/08/93/1195970893.db2.gz SSMOELSQLHFQFF-QLFBSQMISA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1ccsc1 ZINC001018099469 1224332164 /nfs/dbraw/zinc/33/21/64/1224332164.db2.gz LVBRNHLIZYJZTA-WCQYABFASA-N -1 1 345.424 2.272 20 0 EEADMM Cc1scc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])c1C ZINC001486881702 1197048860 /nfs/dbraw/zinc/04/88/60/1197048860.db2.gz ZXPNTWBEKCADCA-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)Nc1cccc(-c2cn(CC[N-]C(=O)C(F)(F)F)nn2)c1 ZINC000864624107 1197847697 /nfs/dbraw/zinc/84/76/97/1197847697.db2.gz BYRCLKZJVUEXKE-UHFFFAOYSA-N -1 1 341.337 2.444 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])CCCC1 ZINC001410622666 1198209882 /nfs/dbraw/zinc/20/98/82/1198209882.db2.gz KELGVZIDBPLXNT-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CC12CCC2 ZINC000873265299 1198545292 /nfs/dbraw/zinc/54/52/92/1198545292.db2.gz MGXDDFGZANBTSV-GMTAPVOTSA-N -1 1 333.354 2.170 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)C1CCCC1 ZINC001014894018 1224505732 /nfs/dbraw/zinc/50/57/32/1224505732.db2.gz NVYIGDROHZHEHE-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM CC(C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1C)=C1CCC1 ZINC001014930507 1224551275 /nfs/dbraw/zinc/55/12/75/1224551275.db2.gz ICBIXZWMJSKWBE-UKRRQHHQSA-N -1 1 343.427 2.397 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC(C)(C)C1CC1 ZINC001011725402 1224553406 /nfs/dbraw/zinc/55/34/06/1224553406.db2.gz DJJHVWRSMBCOCC-GXTWGEPZSA-N -1 1 345.443 2.333 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)OC)c2)cc1 ZINC000811699966 1200253047 /nfs/dbraw/zinc/25/30/47/1200253047.db2.gz BTHAERXDBLFMKC-UHFFFAOYSA-N -1 1 349.408 2.349 20 0 EEADMM C[C@H](c1nncn1C)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879447825 1201071118 /nfs/dbraw/zinc/07/11/18/1201071118.db2.gz UFAYDUGYZWVLQL-GFCCVEGCSA-N -1 1 335.839 2.053 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC000879764099 1201248241 /nfs/dbraw/zinc/24/82/41/1201248241.db2.gz SOPRIPUCRQNCRY-OCCSQVGLSA-N -1 1 334.313 2.002 20 0 EEADMM CC(C)(C)c1ccnc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1 ZINC000866283540 1201483182 /nfs/dbraw/zinc/48/31/82/1201483182.db2.gz WNLPCSUCKIDFCU-AWEZNQCLSA-N -1 1 330.354 2.421 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cc(Cl)cnc1Cl ZINC000866563301 1201548699 /nfs/dbraw/zinc/54/86/99/1201548699.db2.gz JJKZVDDHJAIBHJ-QMMMGPOBSA-N -1 1 325.217 2.093 20 0 EEADMM Cc1cccc(C)c1CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000121684208 1201637315 /nfs/dbraw/zinc/63/73/15/1201637315.db2.gz BOXBHAFXCJZUGE-UHFFFAOYSA-N -1 1 338.411 2.115 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)C1CCOCC1 ZINC000887391316 1204293298 /nfs/dbraw/zinc/29/32/98/1204293298.db2.gz VYJMWCOWTRVTGA-UHFFFAOYSA-N -1 1 339.461 2.395 20 0 EEADMM CN1CC2(C1)CN(C(=O)c1cc(Br)c(Cl)cc1[O-])C2 ZINC001275171401 1205273215 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Cc1ccc(C)c(OCCCn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001609421700 1351970052 /nfs/dbraw/zinc/97/00/52/1351970052.db2.gz VKOXIAFEXGAQQD-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001609471215 1351990024 /nfs/dbraw/zinc/99/00/24/1351990024.db2.gz APXJWCSBDFCGMR-JFGNBEQYSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609471215 1351990025 /nfs/dbraw/zinc/99/00/25/1351990025.db2.gz APXJWCSBDFCGMR-JFGNBEQYSA-N -1 1 332.408 2.037 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC001609490213 1351996041 /nfs/dbraw/zinc/99/60/41/1351996041.db2.gz ILWTVWPGLDWKHJ-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC001609490213 1351996042 /nfs/dbraw/zinc/99/60/42/1351996042.db2.gz ILWTVWPGLDWKHJ-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(N2CCCC2)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001609491732 1351997957 /nfs/dbraw/zinc/99/79/57/1351997957.db2.gz CCBVDJRRMQRVIE-UHFFFAOYSA-N -1 1 340.366 2.008 20 0 EEADMM Fc1cccc(N2CCCC2)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001609491732 1351997960 /nfs/dbraw/zinc/99/79/60/1351997960.db2.gz CCBVDJRRMQRVIE-UHFFFAOYSA-N -1 1 340.366 2.008 20 0 EEADMM Fc1cc(CNc2cc(-c3nnn[n-]3)ncn2)ccc1OC(F)F ZINC001609489042 1351996531 /nfs/dbraw/zinc/99/65/31/1351996531.db2.gz RQDBJBUGEXJUEB-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(CNc2cc(-c3nn[n-]n3)ncn2)ccc1OC(F)F ZINC001609489042 1351996534 /nfs/dbraw/zinc/99/65/34/1351996534.db2.gz RQDBJBUGEXJUEB-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM F[C@@]1(c2ccccc2)CCN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001609486287 1351994631 /nfs/dbraw/zinc/99/46/31/1351994631.db2.gz LKMSQICLNXCZRM-HNNXBMFYSA-N -1 1 330.392 2.394 20 0 EEADMM F[C@@]1(c2ccccc2)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001609486287 1351994633 /nfs/dbraw/zinc/99/46/33/1351994633.db2.gz LKMSQICLNXCZRM-HNNXBMFYSA-N -1 1 330.392 2.394 20 0 EEADMM FC(F)SCc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)o1 ZINC001609486275 1351994817 /nfs/dbraw/zinc/99/48/17/1351994817.db2.gz KYLIKYMAZZQRQH-UHFFFAOYSA-N -1 1 327.320 2.251 20 0 EEADMM FC(F)SCc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)o1 ZINC001609486275 1351994821 /nfs/dbraw/zinc/99/48/21/1351994821.db2.gz KYLIKYMAZZQRQH-UHFFFAOYSA-N -1 1 327.320 2.251 20 0 EEADMM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609570605 1352019656 /nfs/dbraw/zinc/01/96/56/1352019656.db2.gz JMLBCTRTDOFCEV-UHFFFAOYSA-N -1 1 346.354 2.199 20 0 EEADMM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609570605 1352019658 /nfs/dbraw/zinc/01/96/58/1352019658.db2.gz JMLBCTRTDOFCEV-UHFFFAOYSA-N -1 1 346.354 2.199 20 0 EEADMM O=C(NCCOc1ccc2c(c1)CCC2)c1cnc(C2CC2)[n-]c1=O ZINC001332391126 1335816438 /nfs/dbraw/zinc/81/64/38/1335816438.db2.gz NZGMCMVMMAIIFT-UHFFFAOYSA-N -1 1 339.395 2.357 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC001609577667 1352024095 /nfs/dbraw/zinc/02/40/95/1352024095.db2.gz 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349.214 2.333 20 0 EEADMM CC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CCCC1 ZINC001609928032 1352122287 /nfs/dbraw/zinc/12/22/87/1352122287.db2.gz HGAPCRBLZHLBTJ-DZGCQCFKSA-N -1 1 325.453 2.146 20 0 EEADMM CC[C@@]([NH2+]CCC[N-]C(=O)C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001609931932 1352123162 /nfs/dbraw/zinc/12/31/62/1352123162.db2.gz LQCIIGOFERJQSI-AWEZNQCLSA-N -1 1 332.322 2.035 20 0 EEADMM CCc1cc(CNC(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)n[nH]1 ZINC001610059053 1352152041 /nfs/dbraw/zinc/15/20/41/1352152041.db2.gz QOYMOFZCEZISOL-GOSISDBHSA-N -1 1 344.415 2.204 20 0 EEADMM CCc1ccc(NC(=O)[C@@H](C)N2CCSC[C@H](C(=O)[O-])C2)cc1 ZINC001610063792 1352153665 /nfs/dbraw/zinc/15/36/65/1352153665.db2.gz TWZWMQUBFWOSGC-TZMCWYRMSA-N -1 1 336.457 2.326 20 0 EEADMM CCc1oc(CN2CCC(c3nnc4n3CCC4)CC2)cc1C(=O)[O-] ZINC001610077456 1352157188 /nfs/dbraw/zinc/15/71/88/1352157188.db2.gz DIDKUSHWRBFGJS-UHFFFAOYSA-N -1 1 344.415 2.458 20 0 EEADMM O=C(CCC[C@H](O)c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847092662 1337865278 /nfs/dbraw/zinc/86/52/78/1337865278.db2.gz ULPYLFBMMZTOSH-CABCVRRESA-N -1 1 345.399 2.385 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC001610195354 1352182806 /nfs/dbraw/zinc/18/28/06/1352182806.db2.gz LQCVIZZWMVGYSP-KRWDZBQOSA-N -1 1 333.388 2.148 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC[C@@](C)(C(=O)[O-])C3)o2)cc1 ZINC001610310092 1352203771 /nfs/dbraw/zinc/20/37/71/1352203771.db2.gz BWZJFSAZBRTRGL-QGZVFWFLSA-N -1 1 331.372 2.432 20 0 EEADMM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001610407750 1352218140 /nfs/dbraw/zinc/21/81/40/1352218140.db2.gz OLYYJPLBIZRTTH-LBPRGKRZSA-N -1 1 347.371 2.498 20 0 EEADMM Cc1ccc([C@@H](NCCC(=O)N(C)CC(=O)[O-])c2ccccn2)cc1 ZINC001610494900 1352233151 /nfs/dbraw/zinc/23/31/51/1352233151.db2.gz JCRJOXNVJWQDEV-LJQANCHMSA-N -1 1 341.411 2.002 20 0 EEADMM Cc1ccccc1-c1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])n[nH]1 ZINC001610527604 1352239390 /nfs/dbraw/zinc/23/93/90/1352239390.db2.gz CIBSLJQRVAUJBA-UHFFFAOYSA-N -1 1 337.401 2.238 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610537969 1352241282 /nfs/dbraw/zinc/24/12/82/1352241282.db2.gz FWKUJWSRNMHVTQ-MGPQQGTHSA-N -1 1 336.457 2.167 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC001610665127 1352258622 /nfs/dbraw/zinc/25/86/22/1352258622.db2.gz BSCRTUZDFHHECV-KRWDZBQOSA-N -1 1 348.418 2.207 20 0 EEADMM O=C([O-])[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC001610717520 1352264201 /nfs/dbraw/zinc/26/42/01/1352264201.db2.gz HSDDVOHDXIZPJC-HUUCEWRRSA-N -1 1 326.331 2.449 20 0 EEADMM O=C([O-])C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001610762732 1352270613 /nfs/dbraw/zinc/27/06/13/1352270613.db2.gz FTGXLGUJSZJGAA-NSHDSACASA-N -1 1 346.305 2.463 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001610762732 1352270616 /nfs/dbraw/zinc/27/06/16/1352270616.db2.gz FTGXLGUJSZJGAA-NSHDSACASA-N -1 1 346.305 2.463 20 0 EEADMM O=C([O-])c1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)s1 ZINC001610827706 1352281414 /nfs/dbraw/zinc/28/14/14/1352281414.db2.gz NZYAOIBNZBZQSG-UHFFFAOYSA-N -1 1 343.401 2.149 20 0 EEADMM Cc1cc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])ccc1Cl ZINC001429450072 1339913813 /nfs/dbraw/zinc/91/38/13/1339913813.db2.gz DBEVMONUJXLMGU-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCC(C)(C)C1 ZINC001429556177 1339942664 /nfs/dbraw/zinc/94/26/64/1339942664.db2.gz GWBWDWJVXCWZSQ-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001430089752 1340120639 /nfs/dbraw/zinc/12/06/39/1340120639.db2.gz ANJJPGKWXCJDOZ-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(C)(F)F ZINC001431109655 1340454236 /nfs/dbraw/zinc/45/42/36/1340454236.db2.gz CRRVXGSARDEGJE-NSHDSACASA-N -1 1 343.374 2.093 20 0 EEADMM CN(CCN(C)C(=O)C1(C)CCCCC1)C(=O)c1ncccc1[O-] ZINC001431361854 1340563404 /nfs/dbraw/zinc/56/34/04/1340563404.db2.gz OCLKLJBPEXIIAC-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C)COc2ccccc2F)c(=O)[n-]1 ZINC001433666824 1341653514 /nfs/dbraw/zinc/65/35/14/1341653514.db2.gz PLLRXTZYBPVNRF-VIFPVBQESA-N -1 1 337.376 2.241 20 0 EEADMM COCC[C@@H](NC(=O)c1cnc(SC)[n-]c1=O)c1ccc(C)o1 ZINC001433882448 1341711614 /nfs/dbraw/zinc/71/16/14/1341711614.db2.gz RYSWBHZGJRRNHO-LLVKDONJSA-N -1 1 337.401 2.313 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H](O)c1ccccc1F ZINC001576999088 1344081390 /nfs/dbraw/zinc/08/13/90/1344081390.db2.gz MUUVPKKIUDVGTM-DOMZBBRYSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H](O)c1ccccc1F ZINC001576999088 1344081393 /nfs/dbraw/zinc/08/13/93/1344081393.db2.gz MUUVPKKIUDVGTM-DOMZBBRYSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H]1CCCC[C@H]1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577156012 1344096366 /nfs/dbraw/zinc/09/63/66/1344096366.db2.gz IYPOYJMCVNRYGV-RYUDHWBXSA-N -1 1 344.419 2.222 20 0 EEADMM CCCC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CCC1 ZINC001577491309 1344154668 /nfs/dbraw/zinc/15/46/68/1344154668.db2.gz LSFUZEYCBSQDGM-ZDUSSCGKSA-N -1 1 344.419 2.364 20 0 EEADMM CCc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)ccc1F ZINC001578514718 1344286318 /nfs/dbraw/zinc/28/63/18/1344286318.db2.gz FTHMLQKVNDDSPA-UHFFFAOYSA-N -1 1 342.334 2.230 20 0 EEADMM COC(=O)c1ccc(F)c(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001579482393 1344387981 /nfs/dbraw/zinc/38/79/81/1344387981.db2.gz HBYLANSTVLJMIR-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001579594418 1344398217 /nfs/dbraw/zinc/39/82/17/1344398217.db2.gz LBKBNNDEQXRQSJ-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001579594418 1344398221 /nfs/dbraw/zinc/39/82/21/1344398221.db2.gz LBKBNNDEQXRQSJ-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM Cc1cnc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(Br)c1 ZINC001581321023 1344617245 /nfs/dbraw/zinc/61/72/45/1344617245.db2.gz PYYXVLWWHBFYTN-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cnc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(Br)c1 ZINC001581321023 1344617251 /nfs/dbraw/zinc/61/72/51/1344617251.db2.gz PYYXVLWWHBFYTN-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM O=C(CCCc1ccc(F)cc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582047235 1344695479 /nfs/dbraw/zinc/69/54/79/1344695479.db2.gz VVIQHEOSUMKYJN-UHFFFAOYSA-N -1 1 340.362 2.040 20 0 EEADMM O=C(CCCc1ccc(F)cc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582047235 1344695485 /nfs/dbraw/zinc/69/54/85/1344695485.db2.gz VVIQHEOSUMKYJN-UHFFFAOYSA-N -1 1 340.362 2.040 20 0 EEADMM O=C(N=[S@@]1(=O)CCc2ccccc21)c1csc(-c2nnn[n-]2)c1 ZINC001582217985 1344712467 /nfs/dbraw/zinc/71/24/67/1344712467.db2.gz PJPVZBRZAPEJSB-HSZRJFAPSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N=[S@@]1(=O)CCc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001582217985 1344712472 /nfs/dbraw/zinc/71/24/72/1344712472.db2.gz PJPVZBRZAPEJSB-HSZRJFAPSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001582338206 1344736222 /nfs/dbraw/zinc/73/62/22/1344736222.db2.gz ZDSWGISURAJWTI-TVQRCGJNSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001582338206 1344736224 /nfs/dbraw/zinc/73/62/24/1344736224.db2.gz ZDSWGISURAJWTI-TVQRCGJNSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001582338204 1344736726 /nfs/dbraw/zinc/73/67/26/1344736726.db2.gz ZDSWGISURAJWTI-NOZJJQNGSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001582338204 1344736728 /nfs/dbraw/zinc/73/67/28/1344736728.db2.gz ZDSWGISURAJWTI-NOZJJQNGSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582358419 1344743614 /nfs/dbraw/zinc/74/36/14/1344743614.db2.gz PQYKKABGDUVGPL-UHFFFAOYSA-N -1 1 345.313 2.175 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582358419 1344743616 /nfs/dbraw/zinc/74/36/16/1344743616.db2.gz PQYKKABGDUVGPL-UHFFFAOYSA-N -1 1 345.313 2.175 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582472163 1344753009 /nfs/dbraw/zinc/75/30/09/1344753009.db2.gz NESAHPUTQSHNPT-GFCCVEGCSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582472163 1344753015 /nfs/dbraw/zinc/75/30/15/1344753015.db2.gz NESAHPUTQSHNPT-GFCCVEGCSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)s1)c1ccc(-c2nnn[n-]2)o1 ZINC001582551510 1344761690 /nfs/dbraw/zinc/76/16/90/1344761690.db2.gz NRSUPNQLFHULLL-UHFFFAOYSA-N -1 1 343.290 2.470 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001582551510 1344761693 /nfs/dbraw/zinc/76/16/93/1344761693.db2.gz NRSUPNQLFHULLL-UHFFFAOYSA-N -1 1 343.290 2.470 20 0 EEADMM O=C(Nc1c2c(ccc1Cl)OCC2)c1coc(-c2nnn[n-]2)c1 ZINC001582631405 1344771077 /nfs/dbraw/zinc/77/10/77/1344771077.db2.gz HQABTCJDCPFYBM-UHFFFAOYSA-N -1 1 331.719 2.300 20 0 EEADMM O=C(Nc1c2c(ccc1Cl)OCC2)c1coc(-c2nn[n-]n2)c1 ZINC001582631405 1344771079 /nfs/dbraw/zinc/77/10/79/1344771079.db2.gz HQABTCJDCPFYBM-UHFFFAOYSA-N -1 1 331.719 2.300 20 0 EEADMM c1ccc(-c2nnn(Cc3noc4c3CCCC4)c2-c2nn[n-]n2)cc1 ZINC001582818415 1344797932 /nfs/dbraw/zinc/79/79/32/1344797932.db2.gz HEFJKJUOWWVBJW-UHFFFAOYSA-N -1 1 348.370 2.040 20 0 EEADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)c1nn[n-]n1 ZINC001586256225 1348848358 /nfs/dbraw/zinc/84/83/58/1348848358.db2.gz TUDHZEQUBFJXOL-UHFFFAOYSA-N -1 1 336.714 2.232 20 0 EEADMM CC(C)(CC(=O)OCc1nc(-c2nnn[n-]2)cs1)CC(F)F ZINC001589270114 1348976779 /nfs/dbraw/zinc/97/67/79/1348976779.db2.gz YHDHJGLJISLELD-UHFFFAOYSA-N -1 1 331.348 2.438 20 0 EEADMM CC(C)(CC(=O)OCc1nc(-c2nn[n-]n2)cs1)CC(F)F ZINC001589270114 1348976783 /nfs/dbraw/zinc/97/67/83/1348976783.db2.gz YHDHJGLJISLELD-UHFFFAOYSA-N -1 1 331.348 2.438 20 0 EEADMM CC(C)OC1CC(n2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)C1 ZINC001589739848 1349027394 /nfs/dbraw/zinc/02/73/94/1349027394.db2.gz QXGMNTGXSMKJGB-UHFFFAOYSA-N -1 1 343.309 2.176 20 0 EEADMM CC(C)Oc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001589758366 1349031953 /nfs/dbraw/zinc/03/19/53/1349031953.db2.gz HQNVZNVATLRYJQ-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM CC(C)Oc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001589758366 1349031959 /nfs/dbraw/zinc/03/19/59/1349031959.db2.gz HQNVZNVATLRYJQ-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM CC(C)Sc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001589762260 1349032123 /nfs/dbraw/zinc/03/21/23/1349032123.db2.gz NKOWPMMWOQDQBC-UHFFFAOYSA-N -1 1 343.416 2.353 20 0 EEADMM CC(C)Sc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001589762260 1349032130 /nfs/dbraw/zinc/03/21/30/1349032130.db2.gz NKOWPMMWOQDQBC-UHFFFAOYSA-N -1 1 343.416 2.353 20 0 EEADMM CC1(C)CCC(S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590090371 1349148994 /nfs/dbraw/zinc/14/89/94/1349148994.db2.gz KDABWDPURHCQPQ-UHFFFAOYSA-N -1 1 335.433 2.145 20 0 EEADMM CC1(C)CCC(S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590090371 1349148995 /nfs/dbraw/zinc/14/89/95/1349148995.db2.gz KDABWDPURHCQPQ-UHFFFAOYSA-N -1 1 335.433 2.145 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC001590103909 1349157805 /nfs/dbraw/zinc/15/78/05/1349157805.db2.gz LTNIHYLZFHFNOY-OAHLLOKOSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC001590103909 1349157810 /nfs/dbraw/zinc/15/78/10/1349157810.db2.gz LTNIHYLZFHFNOY-OAHLLOKOSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1ncncc1-c1nn[n-]n1 ZINC001590120713 1349163160 /nfs/dbraw/zinc/16/31/60/1349163160.db2.gz BLOXEBKDLHRUCK-UONOGXRCSA-N -1 1 337.387 2.315 20 0 EEADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590195535 1349195271 /nfs/dbraw/zinc/19/52/71/1349195271.db2.gz XETKGEWASOZOLV-ZJUUUORDSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590195535 1349195279 /nfs/dbraw/zinc/19/52/79/1349195279.db2.gz XETKGEWASOZOLV-ZJUUUORDSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590250492 1349227042 /nfs/dbraw/zinc/22/70/42/1349227042.db2.gz ULXLDGDGGUIAFE-OIBJUYFYSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590250549 1349227106 /nfs/dbraw/zinc/22/71/06/1349227106.db2.gz FPFZNRIEQQCSHU-ZJUUUORDSA-N -1 1 334.811 2.471 20 0 EEADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC001590275425 1349244574 /nfs/dbraw/zinc/24/45/74/1349244574.db2.gz YVGQZXLPQCPZPL-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C/C=C(\C)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590351129 1349277836 /nfs/dbraw/zinc/27/78/36/1349277836.db2.gz XXSUZOYOVKTORB-XVNBXDOJSA-N -1 1 327.266 2.404 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590431837 1349322814 /nfs/dbraw/zinc/32/28/14/1349322814.db2.gz TYIGPXRYZMFPRM-SMDDNHRTSA-N -1 1 333.392 2.173 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590431837 1349322820 /nfs/dbraw/zinc/32/28/20/1349322820.db2.gz TYIGPXRYZMFPRM-SMDDNHRTSA-N -1 1 333.392 2.173 20 0 EEADMM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)c1ccc(C)cc1 ZINC001590764944 1349396976 /nfs/dbraw/zinc/39/69/76/1349396976.db2.gz IOYACKPNJYESMS-UHFFFAOYSA-N -1 1 341.371 2.338 20 0 EEADMM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)c1ccc(C)cc1 ZINC001590764944 1349396979 /nfs/dbraw/zinc/39/69/79/1349396979.db2.gz IOYACKPNJYESMS-UHFFFAOYSA-N -1 1 341.371 2.338 20 0 EEADMM CCc1nc(NCc2ccc3cccnc3c2)cc(-c2nnn[n-]2)n1 ZINC001590923123 1349414407 /nfs/dbraw/zinc/41/44/07/1349414407.db2.gz SGOIMDJSGJKFNQ-UHFFFAOYSA-N -1 1 332.371 2.379 20 0 EEADMM CCc1nc(NCc2ccc3cccnc3c2)cc(-c2nn[n-]n2)n1 ZINC001590923123 1349414410 /nfs/dbraw/zinc/41/44/10/1349414410.db2.gz SGOIMDJSGJKFNQ-UHFFFAOYSA-N -1 1 332.371 2.379 20 0 EEADMM CCc1nn(C[C@@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929562 1349416570 /nfs/dbraw/zinc/41/65/70/1349416570.db2.gz DIWADUJYISIJSI-NEPJUHHUSA-N -1 1 330.436 2.375 20 0 EEADMM CN(C(=O)c1cc2occc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590992145 1349428560 /nfs/dbraw/zinc/42/85/60/1349428560.db2.gz RAPRSXAOGFHPOB-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM CN(C(=O)c1cc2occc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590992145 1349428564 /nfs/dbraw/zinc/42/85/64/1349428564.db2.gz RAPRSXAOGFHPOB-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM COC(=O)C1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001591242303 1349452650 /nfs/dbraw/zinc/45/26/50/1349452650.db2.gz MLMYRUHDOMTJAB-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM COC(=O)C1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001591242303 1349452653 /nfs/dbraw/zinc/45/26/53/1349452653.db2.gz MLMYRUHDOMTJAB-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM COC[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001591375905 1349474556 /nfs/dbraw/zinc/47/45/56/1349474556.db2.gz WIHBMDBBRRQVFD-QMMMGPOBSA-N -1 1 349.416 2.053 20 0 EEADMM COC[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001591375905 1349474562 /nfs/dbraw/zinc/47/45/62/1349474562.db2.gz WIHBMDBBRRQVFD-QMMMGPOBSA-N -1 1 349.416 2.053 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@H]2C)c1-c1nn[n-]n1 ZINC001591716886 1349535359 /nfs/dbraw/zinc/53/53/59/1349535359.db2.gz DHZIBBHDNBBHFM-LDYMZIIASA-N -1 1 344.444 2.389 20 0 EEADMM Cc1cccnc1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001592263103 1349614284 /nfs/dbraw/zinc/61/42/84/1349614284.db2.gz PECJQPYNWFXJBM-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cccnc1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001592263103 1349614290 /nfs/dbraw/zinc/61/42/90/1349614290.db2.gz PECJQPYNWFXJBM-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1-c1nn[n-]n1 ZINC001592332629 1349621800 /nfs/dbraw/zinc/62/18/00/1349621800.db2.gz LQNJNIIGMLQOCJ-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1nsc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC001592486847 1349636248 /nfs/dbraw/zinc/63/62/48/1349636248.db2.gz TXKFWRSYWPXZAL-RNCFNFMXSA-N -1 1 338.462 2.098 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cnn(C(C)(C)C)c1 ZINC001592503416 1349640003 /nfs/dbraw/zinc/64/00/03/1349640003.db2.gz IUAFPPDVRRVAON-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cnn(C(C)(C)C)c1 ZINC001592503416 1349640007 /nfs/dbraw/zinc/64/00/07/1349640007.db2.gz IUAFPPDVRRVAON-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM Clc1cccc2c1[C@H](NCc1nc(-c3nnn[n-]3)cs1)COC2 ZINC001592535787 1349651165 /nfs/dbraw/zinc/65/11/65/1349651165.db2.gz NBLGUUAKGUVOHY-SNVBAGLBSA-N -1 1 348.819 2.338 20 0 EEADMM Clc1cccc2c1[C@H](NCc1nc(-c3nn[n-]n3)cs1)COC2 ZINC001592535787 1349651166 /nfs/dbraw/zinc/65/11/66/1349651166.db2.gz NBLGUUAKGUVOHY-SNVBAGLBSA-N -1 1 348.819 2.338 20 0 EEADMM Cn1c(SCc2nc(-c3nnn[n-]3)cs2)nnc1-c1ccco1 ZINC001592557332 1349657786 /nfs/dbraw/zinc/65/77/86/1349657786.db2.gz ZJKUYDQLTQQKLR-UHFFFAOYSA-N -1 1 346.401 2.004 20 0 EEADMM Cn1c(SCc2nc(-c3nn[n-]n3)cs2)nnc1-c1ccco1 ZINC001592557332 1349657793 /nfs/dbraw/zinc/65/77/93/1349657793.db2.gz ZJKUYDQLTQQKLR-UHFFFAOYSA-N -1 1 346.401 2.004 20 0 EEADMM Cn1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC001592574858 1349661004 /nfs/dbraw/zinc/66/10/04/1349661004.db2.gz PRXWALANRBHHLC-UHFFFAOYSA-N -1 1 341.375 2.493 20 0 EEADMM Cn1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC001592574858 1349661006 /nfs/dbraw/zinc/66/10/06/1349661006.db2.gz PRXWALANRBHHLC-UHFFFAOYSA-N -1 1 341.375 2.493 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592631068 1349682200 /nfs/dbraw/zinc/68/22/00/1349682200.db2.gz PMQUIQGEJXIGOC-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592631068 1349682201 /nfs/dbraw/zinc/68/22/01/1349682201.db2.gz PMQUIQGEJXIGOC-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592648444 1349694501 /nfs/dbraw/zinc/69/45/01/1349694501.db2.gz MLCUZFFNIVNAKI-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592648444 1349694507 /nfs/dbraw/zinc/69/45/07/1349694507.db2.gz MLCUZFFNIVNAKI-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(-n2ccc(NCC[C@H]3CCOC3)n2)c1-c1nn[n-]n1 ZINC001592654622 1349698786 /nfs/dbraw/zinc/69/87/86/1349698786.db2.gz HYYYHRCLWQCVMG-NSHDSACASA-N -1 1 343.366 2.030 20 0 EEADMM O=C(CCCNc1ccnc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC001592838166 1349718822 /nfs/dbraw/zinc/71/88/22/1349718822.db2.gz SZHNSZYQCCJHSD-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(CCCNc1ccnc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC001592838166 1349718827 /nfs/dbraw/zinc/71/88/27/1349718827.db2.gz SZHNSZYQCCJHSD-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(CCc1ccc2ccccc2c1O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592850434 1349719925 /nfs/dbraw/zinc/71/99/25/1349719925.db2.gz CBINEROKLMTHMG-UHFFFAOYSA-N -1 1 349.354 2.020 20 0 EEADMM O=C(CCc1ccc2ccccc2c1O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592850434 1349719933 /nfs/dbraw/zinc/71/99/33/1349719933.db2.gz CBINEROKLMTHMG-UHFFFAOYSA-N -1 1 349.354 2.020 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592995904 1349732118 /nfs/dbraw/zinc/73/21/18/1349732118.db2.gz FMHOIGIPNSWYEI-CYBMUJFWSA-N -1 1 337.358 2.293 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592995904 1349732119 /nfs/dbraw/zinc/73/21/19/1349732119.db2.gz FMHOIGIPNSWYEI-CYBMUJFWSA-N -1 1 337.358 2.293 20 0 EEADMM O=C(NCC[C@H]1CCc2ccccc2N1)c1coc(-c2nnn[n-]2)c1 ZINC001593066155 1349736418 /nfs/dbraw/zinc/73/64/18/1349736418.db2.gz XPNYPNDUGPJBOU-CYBMUJFWSA-N -1 1 338.371 2.007 20 0 EEADMM O=C(NCC[C@H]1CCc2ccccc2N1)c1coc(-c2nn[n-]n2)c1 ZINC001593066155 1349736421 /nfs/dbraw/zinc/73/64/21/1349736421.db2.gz XPNYPNDUGPJBOU-CYBMUJFWSA-N -1 1 338.371 2.007 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1noc2c1CCCC2 ZINC001593136324 1349739802 /nfs/dbraw/zinc/73/98/02/1349739802.db2.gz KUSAZZNRIVCFHJ-UHFFFAOYSA-N -1 1 345.388 2.117 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1sccc1-c1nn[n-]n1 ZINC001593285538 1349763216 /nfs/dbraw/zinc/76/32/16/1349763216.db2.gz VTBRPFKKGNGGNJ-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OCc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593303489 1349775209 /nfs/dbraw/zinc/77/52/09/1349775209.db2.gz MYBSVHDEYRBNRD-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1([C@H]2CCCCO2)CCC1 ZINC001593308069 1349776453 /nfs/dbraw/zinc/77/64/53/1349776453.db2.gz ZNBGVVUZZCXQJX-LLVKDONJSA-N -1 1 349.416 2.106 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1([C@H]2CCCCO2)CCC1 ZINC001593308069 1349776457 /nfs/dbraw/zinc/77/64/57/1349776457.db2.gz ZNBGVVUZZCXQJX-LLVKDONJSA-N -1 1 349.416 2.106 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CC(F)F)C1CCC1 ZINC001593329900 1349782395 /nfs/dbraw/zinc/78/23/95/1349782395.db2.gz YRQNXWAKTIPDSO-UHFFFAOYSA-N -1 1 343.284 2.405 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CC(F)F)C1CCC1 ZINC001593329900 1349782398 /nfs/dbraw/zinc/78/23/98/1349782398.db2.gz YRQNXWAKTIPDSO-UHFFFAOYSA-N -1 1 343.284 2.405 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cc(Cl)ccn2)c2ccccc12 ZINC001593495202 1349819153 /nfs/dbraw/zinc/81/91/53/1349819153.db2.gz YLOZIEIWAFBBII-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1F ZINC001593507144 1349823901 /nfs/dbraw/zinc/82/39/01/1349823901.db2.gz MTGUMNGWIJEIHM-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1F ZINC001593507144 1349823909 /nfs/dbraw/zinc/82/39/09/1349823909.db2.gz MTGUMNGWIJEIHM-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM OCCCOc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001593531276 1349834272 /nfs/dbraw/zinc/83/42/72/1349834272.db2.gz IUNQUMPBXAYBBI-UHFFFAOYSA-N -1 1 346.778 2.420 20 0 EEADMM OCCCOc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001593531276 1349834277 /nfs/dbraw/zinc/83/42/77/1349834277.db2.gz IUNQUMPBXAYBBI-UHFFFAOYSA-N -1 1 346.778 2.420 20 0 EEADMM O[C@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC001593538265 1349834796 /nfs/dbraw/zinc/83/47/96/1349834796.db2.gz CXJDWRVBYLQHEQ-SNVBAGLBSA-N -1 1 325.159 2.104 20 0 EEADMM O[C@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC001593538265 1349834799 /nfs/dbraw/zinc/83/47/99/1349834799.db2.gz CXJDWRVBYLQHEQ-SNVBAGLBSA-N -1 1 325.159 2.104 20 0 EEADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc([C@@H]2CCCCS2)no1 ZINC001593551386 1349844764 /nfs/dbraw/zinc/84/47/64/1349844764.db2.gz JWUHPQOEONNGHG-NSHDSACASA-N -1 1 329.389 2.194 20 0 EEADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc([C@@H]2CCCCS2)no1 ZINC001593551386 1349844770 /nfs/dbraw/zinc/84/47/70/1349844770.db2.gz JWUHPQOEONNGHG-NSHDSACASA-N -1 1 329.389 2.194 20 0 EEADMM c1sc(CNc2ccc(O[C@@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001593561461 1349850971 /nfs/dbraw/zinc/85/09/71/1349850971.db2.gz MKLCRYVNNASROI-GFCCVEGCSA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(CNc2ccc(O[C@@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001593561461 1349850972 /nfs/dbraw/zinc/85/09/72/1349850972.db2.gz MKLCRYVNNASROI-GFCCVEGCSA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(CNc2nc(C3CC3)nc3c2CCC3)nc1-c1nnn[n-]1 ZINC001593595596 1349869761 /nfs/dbraw/zinc/86/97/61/1349869761.db2.gz XTJXKMBYLZZKTR-UHFFFAOYSA-N -1 1 340.416 2.091 20 0 EEADMM c1sc(CNc2nc(C3CC3)nc3c2CCC3)nc1-c1nn[n-]n1 ZINC001593595596 1349869766 /nfs/dbraw/zinc/86/97/66/1349869766.db2.gz XTJXKMBYLZZKTR-UHFFFAOYSA-N -1 1 340.416 2.091 20 0 EEADMM CCn1cccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1=O ZINC001597911061 1349933338 /nfs/dbraw/zinc/93/33/38/1349933338.db2.gz GFIDJGXWHUWTKK-ZDUSSCGKSA-N -1 1 330.384 2.182 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001600120422 1349974609 /nfs/dbraw/zinc/97/46/09/1349974609.db2.gz LODANUXMDCYMKM-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC001600120422 1349974611 /nfs/dbraw/zinc/97/46/11/1349974611.db2.gz LODANUXMDCYMKM-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(CN[C@H](COC(N)=O)Cc2ccccc2)oc1C(=O)[O-] ZINC001600207237 1349993034 /nfs/dbraw/zinc/99/30/34/1349993034.db2.gz QZYIFLPGFQEWRW-ZDUSSCGKSA-N -1 1 332.356 2.496 20 0 EEADMM Cc1ccc(-c2nnc(CN3CCSC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001600320859 1350019966 /nfs/dbraw/zinc/01/99/66/1350019966.db2.gz XFNKMEDSUYUNKF-CYBMUJFWSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001600351536 1350026494 /nfs/dbraw/zinc/02/64/94/1350026494.db2.gz CVFIMRUDGFLISF-BJJXKVORSA-N -1 1 332.400 2.131 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001600404073 1350041710 /nfs/dbraw/zinc/04/17/10/1350041710.db2.gz GUVXMBMZFKPFIA-HKUYNNGSSA-N -1 1 346.471 2.475 20 0 EEADMM Cc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1Br ZINC001600412449 1350043955 /nfs/dbraw/zinc/04/39/55/1350043955.db2.gz GAORJSZFJZYWFH-AWEZNQCLSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1ccccc1CN1CCN(Cc2cccc(C(=O)[O-])n2)CC1 ZINC001600580115 1350088546 /nfs/dbraw/zinc/08/85/46/1350088546.db2.gz BRCMCCGIKXHJFK-UHFFFAOYSA-N -1 1 325.412 2.406 20 0 EEADMM Cc1sc(NC(=O)CN[C@H](C(=O)[O-])C2CCOCC2)c(C)c1C ZINC001600886640 1350160581 /nfs/dbraw/zinc/16/05/81/1350160581.db2.gz AVNRMBDKGAXXRQ-AWEZNQCLSA-N -1 1 340.445 2.081 20 0 EEADMM Cn1ccc2cccc(NS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c21 ZINC001600978380 1350181081 /nfs/dbraw/zinc/18/10/81/1350181081.db2.gz ZFYYBSJUERXYKR-UHFFFAOYSA-N -1 1 346.364 2.383 20 0 EEADMM N[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001601172224 1350224671 /nfs/dbraw/zinc/22/46/71/1350224671.db2.gz PZSXOLCJBBJXBA-SMDDNHRTSA-N -1 1 344.333 2.322 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cccc4c3OCO4)[nH]c21 ZINC001601632143 1350324221 /nfs/dbraw/zinc/32/42/21/1350324221.db2.gz USINSPGGTGFHJD-UHFFFAOYSA-N -1 1 325.280 2.242 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001601698358 1350342122 /nfs/dbraw/zinc/34/21/22/1350342122.db2.gz JYUQKQDIKVFNET-SFHVURJKSA-N -1 1 345.443 2.322 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CC3(CCOCC3)[C@@H]2c2ccco2)C1(F)F ZINC001601752063 1350355961 /nfs/dbraw/zinc/35/59/61/1350355961.db2.gz RXKXSJMKGDJADN-DRZSPHRISA-N -1 1 327.327 2.399 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccccn3)no2)[C@@H]2CCC[C@H]21 ZINC001601828448 1350374833 /nfs/dbraw/zinc/37/48/33/1350374833.db2.gz XVUDZPAUPQFOKS-OUCADQQQSA-N -1 1 328.372 2.207 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC001601857162 1350382022 /nfs/dbraw/zinc/38/20/22/1350382022.db2.gz NASDUWQEUWNPRU-LLVKDONJSA-N -1 1 337.376 2.125 20 0 EEADMM O=C([O-])CCNC(=O)CN[C@H](Cc1ccccc1)c1ccccc1F ZINC001602021454 1350419850 /nfs/dbraw/zinc/41/98/50/1350419850.db2.gz JHKFHDLVEKAIOI-QGZVFWFLSA-N -1 1 344.386 2.290 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1ccc(-n2ccnc2)nc1 ZINC001602095295 1350436128 /nfs/dbraw/zinc/43/61/28/1350436128.db2.gz OLGNEUUFPWFZKD-UHFFFAOYSA-N -1 1 338.367 2.021 20 0 EEADMM O=C([O-])COc1ccccc1CN1CCC(CO)(C(F)(F)F)CC1 ZINC001602096160 1350436677 /nfs/dbraw/zinc/43/66/77/1350436677.db2.gz MYICSRWKSLAIKZ-UHFFFAOYSA-N -1 1 347.333 2.287 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001602219420 1350469141 /nfs/dbraw/zinc/46/91/41/1350469141.db2.gz QUGAVEVSPNPWQY-DTWKUNHWSA-N -1 1 341.289 2.288 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NCc2ccc3ccccc3c2)on1 ZINC001602296671 1350487591 /nfs/dbraw/zinc/48/75/91/1350487591.db2.gz LZVGDJDKUMNTGL-UHFFFAOYSA-N -1 1 332.337 2.005 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC001602309933 1350490284 /nfs/dbraw/zinc/49/02/84/1350490284.db2.gz ZBMZRERDBLOSOE-INIZCTEOSA-N -1 1 342.395 2.161 20 0 EEADMM O=C([O-])c1ccc(-c2nc(CNC3(CO)CCSCC3)co2)cc1 ZINC001602310960 1350490296 /nfs/dbraw/zinc/49/02/96/1350490296.db2.gz VMXQUACTCHLXAQ-UHFFFAOYSA-N -1 1 348.424 2.388 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)nc1 ZINC001602338037 1350497445 /nfs/dbraw/zinc/49/74/45/1350497445.db2.gz NHDUPIXQQIIARB-UHFFFAOYSA-N -1 1 331.347 2.357 20 0 EEADMM O=C([O-])c1cccc2c(CN3CCC[C@@H]3C(=O)NC3CC3)ccnc12 ZINC001602454911 1350523057 /nfs/dbraw/zinc/52/30/57/1350523057.db2.gz ULILCNXVGNAXKI-MRXNPFEDSA-N -1 1 339.395 2.176 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)c1c[nH]c3ccccc3c1=O)CC2 ZINC001602458742 1350524057 /nfs/dbraw/zinc/52/40/57/1350524057.db2.gz APISJYBODNPMJF-UHFFFAOYSA-N -1 1 348.358 2.425 20 0 EEADMM O=C([O-])c1cnc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cn1 ZINC001602523576 1350538342 /nfs/dbraw/zinc/53/83/42/1350538342.db2.gz YOYAOGUTJIQYMN-HIFRSBDPSA-N -1 1 335.310 2.073 20 0 EEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001602622501 1350559782 /nfs/dbraw/zinc/55/97/82/1350559782.db2.gz VPERPAOMKDXEJW-ZDUSSCGKSA-N -1 1 345.252 2.181 20 0 EEADMM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cccc(Br)c1O ZINC001602626606 1350561034 /nfs/dbraw/zinc/56/10/34/1350561034.db2.gz HNYWOSLFYDFTOK-CLAHSXSESA-N -1 1 340.173 2.234 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1C ZINC001602951761 1350609640 /nfs/dbraw/zinc/60/96/40/1350609640.db2.gz YPNHVHGITNOPBD-RTYFKUQISA-N -1 1 330.428 2.406 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001603101548 1350640228 /nfs/dbraw/zinc/64/02/28/1350640228.db2.gz WXAFUYOWKDOWIT-NEPJUHHUSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001603101548 1350640233 /nfs/dbraw/zinc/64/02/33/1350640233.db2.gz WXAFUYOWKDOWIT-NEPJUHHUSA-N -1 1 329.408 2.195 20 0 EEADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)c(F)c1 ZINC001603145066 1350649216 /nfs/dbraw/zinc/64/92/16/1350649216.db2.gz AOXXDEQMDGPCEZ-VXGBXAGGSA-N -1 1 340.370 2.076 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001603161931 1350652730 /nfs/dbraw/zinc/65/27/30/1350652730.db2.gz SPWLYTUZFKUQTE-KDOFPFPSSA-N -1 1 338.407 2.223 20 0 EEADMM CC(C)(NC(=O)c1cc(F)cc2nc[nH]c21)c1cc(C(=O)[O-])on1 ZINC001603677368 1350740502 /nfs/dbraw/zinc/74/05/02/1350740502.db2.gz XROIKINLVYDMOI-UHFFFAOYSA-N -1 1 332.291 2.053 20 0 EEADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1OC(F)F ZINC001603687768 1350742744 /nfs/dbraw/zinc/74/27/44/1350742744.db2.gz VZNXBDVAIGFWLX-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1OC(F)F ZINC001603687768 1350742748 /nfs/dbraw/zinc/74/27/48/1350742748.db2.gz VZNXBDVAIGFWLX-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM CC1(C)C[C@@H](COC(=O)c2cccc(-c3nnn[n-]3)n2)C(C)(C)O1 ZINC001603762464 1350760308 /nfs/dbraw/zinc/76/03/08/1350760308.db2.gz GEEVTTNMXVMVHV-JTQLQIEISA-N -1 1 331.376 2.012 20 0 EEADMM CC1(C)C[C@@H](COC(=O)c2cccc(-c3nn[n-]n3)n2)C(C)(C)O1 ZINC001603762464 1350760311 /nfs/dbraw/zinc/76/03/11/1350760311.db2.gz GEEVTTNMXVMVHV-JTQLQIEISA-N -1 1 331.376 2.012 20 0 EEADMM CC1(C)CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603777841 1350765931 /nfs/dbraw/zinc/76/59/31/1350765931.db2.gz SEVQDSJVJTYCLF-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM CC1(C)CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603777841 1350765933 /nfs/dbraw/zinc/76/59/33/1350765933.db2.gz SEVQDSJVJTYCLF-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603872933 1350788790 /nfs/dbraw/zinc/78/87/90/1350788790.db2.gz TZWNZVHQUNRFKF-PBINXNQUSA-N -1 1 332.795 2.318 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001604074393 1350847361 /nfs/dbraw/zinc/84/73/61/1350847361.db2.gz OTZKUXUMAKKFJY-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001604074393 1350847366 /nfs/dbraw/zinc/84/73/66/1350847366.db2.gz OTZKUXUMAKKFJY-ZDUSSCGKSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC)C1 ZINC001604103265 1350858310 /nfs/dbraw/zinc/85/83/10/1350858310.db2.gz TWYDZWIYQYSALU-NSHDSACASA-N -1 1 342.407 2.365 20 0 EEADMM CC[C@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC)C1 ZINC001604103265 1350858313 /nfs/dbraw/zinc/85/83/13/1350858313.db2.gz TWYDZWIYQYSALU-NSHDSACASA-N -1 1 342.407 2.365 20 0 EEADMM CCCc1ccc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)cc1 ZINC001604245617 1350901470 /nfs/dbraw/zinc/90/14/70/1350901470.db2.gz PUBWILKJPUSVBJ-UHFFFAOYSA-N -1 1 325.376 2.113 20 0 EEADMM CCCc1ccc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)cc1 ZINC001604245617 1350901474 /nfs/dbraw/zinc/90/14/74/1350901474.db2.gz PUBWILKJPUSVBJ-UHFFFAOYSA-N -1 1 325.376 2.113 20 0 EEADMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604270617 1350906350 /nfs/dbraw/zinc/90/63/50/1350906350.db2.gz HQDOAHWZODFTES-SECBINFHSA-N -1 1 346.387 2.141 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604273578 1350906765 /nfs/dbraw/zinc/90/67/65/1350906765.db2.gz LVAOFSJTQNBWJK-UHFFFAOYSA-N -1 1 340.387 2.154 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604273578 1350906768 /nfs/dbraw/zinc/90/67/68/1350906768.db2.gz LVAOFSJTQNBWJK-UHFFFAOYSA-N -1 1 340.387 2.154 20 0 EEADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001604325844 1350916189 /nfs/dbraw/zinc/91/61/89/1350916189.db2.gz PHXBMMREGOFCPU-FZMZJTMJSA-N -1 1 347.802 2.348 20 0 EEADMM CCOC(=O)c1cnn(Cc2c(C)cccc2Cl)c1-c1nn[n-]n1 ZINC001604390809 1350928089 /nfs/dbraw/zinc/92/80/89/1350928089.db2.gz NFGWAHLFNOBUEM-UHFFFAOYSA-N -1 1 346.778 2.250 20 0 EEADMM C[C@@H](Oc1ccccc1CN1CCC(O)(C(F)F)CC1)C(=O)[O-] ZINC001604442779 1350938889 /nfs/dbraw/zinc/93/88/89/1350938889.db2.gz GPXAPMGJYVUHEY-LLVKDONJSA-N -1 1 329.343 2.131 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](NCc1cc(C(=O)[O-])ccc1F)C(N)=O ZINC001604469459 1350944762 /nfs/dbraw/zinc/94/47/62/1350944762.db2.gz SGOYNKUCRUJWSW-ZBEGNZNMSA-N -1 1 330.359 2.271 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(CCc4ccccc43)C2)n1 ZINC001604544075 1350958252 /nfs/dbraw/zinc/95/82/52/1350958252.db2.gz BEULXRJIGHNOCT-LJQANCHMSA-N -1 1 347.426 2.313 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(CCc4ccccc43)C2)n1 ZINC001604544075 1350958254 /nfs/dbraw/zinc/95/82/54/1350958254.db2.gz BEULXRJIGHNOCT-LJQANCHMSA-N -1 1 347.426 2.313 20 0 EEADMM CCc1nc(NCCc2ccc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001604567876 1350962133 /nfs/dbraw/zinc/96/21/33/1350962133.db2.gz PWJYYDLDZCWEOJ-UHFFFAOYSA-N -1 1 331.330 2.152 20 0 EEADMM CCc1nc(NCCc2ccc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001604567876 1350962136 /nfs/dbraw/zinc/96/21/36/1350962136.db2.gz PWJYYDLDZCWEOJ-UHFFFAOYSA-N -1 1 331.330 2.152 20 0 EEADMM CN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604639657 1350975050 /nfs/dbraw/zinc/97/50/50/1350975050.db2.gz OSMFOIAHRDKZGS-NSCUHMNNSA-N -1 1 338.346 2.467 20 0 EEADMM CN(C(=O)C/C=C/c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604639657 1350975052 /nfs/dbraw/zinc/97/50/52/1350975052.db2.gz OSMFOIAHRDKZGS-NSCUHMNNSA-N -1 1 338.346 2.467 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC001604933822 1351034131 /nfs/dbraw/zinc/03/41/31/1351034131.db2.gz ZFPNVGKMLYLVEV-IIYDPXPESA-N -1 1 336.432 2.270 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001604975733 1351043714 /nfs/dbraw/zinc/04/37/14/1351043714.db2.gz WZOGMWKSRRBTOM-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)C[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001604975733 1351043719 /nfs/dbraw/zinc/04/37/19/1351043719.db2.gz WZOGMWKSRRBTOM-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM COCOc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001605127988 1351082728 /nfs/dbraw/zinc/08/27/28/1351082728.db2.gz LOICWGGUZFEZAG-UHFFFAOYSA-N -1 1 343.318 2.241 20 0 EEADMM COCOc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001605127988 1351082731 /nfs/dbraw/zinc/08/27/31/1351082731.db2.gz LOICWGGUZFEZAG-UHFFFAOYSA-N -1 1 343.318 2.241 20 0 EEADMM COCc1ccc(COC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605134230 1351084885 /nfs/dbraw/zinc/08/48/85/1351084885.db2.gz UTPWEZCUUXZJDU-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COCc1ccc(COC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605134230 1351084888 /nfs/dbraw/zinc/08/48/88/1351084888.db2.gz UTPWEZCUUXZJDU-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COCc1cccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c1 ZINC001605133798 1351085051 /nfs/dbraw/zinc/08/50/51/1351085051.db2.gz SFVOPLBDRISGQA-UHFFFAOYSA-N -1 1 347.382 2.320 20 0 EEADMM CC[C@@]1(C)CC(=O)N(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC001605135226 1351085140 /nfs/dbraw/zinc/08/51/40/1351085140.db2.gz JOEDAQQBRLSYCG-BXWFABGCSA-N -1 1 330.428 2.393 20 0 EEADMM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)nc(C)n2)cc1Cl ZINC001605274407 1351121583 /nfs/dbraw/zinc/12/15/83/1351121583.db2.gz HOPQQSRBAVHDDJ-UHFFFAOYSA-N -1 1 345.794 2.264 20 0 EEADMM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)nc(C)n2)cc1Cl ZINC001605274407 1351121588 /nfs/dbraw/zinc/12/15/88/1351121588.db2.gz HOPQQSRBAVHDDJ-UHFFFAOYSA-N -1 1 345.794 2.264 20 0 EEADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001605308136 1351131770 /nfs/dbraw/zinc/13/17/70/1351131770.db2.gz VKQXDONYBCQWCP-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605308136 1351131773 /nfs/dbraw/zinc/13/17/73/1351131773.db2.gz VKQXDONYBCQWCP-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001605337210 1351140014 /nfs/dbraw/zinc/14/00/14/1351140014.db2.gz JVZRORXEJYSXTE-YOEHRIQHSA-N -1 1 348.443 2.024 20 0 EEADMM COc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc2ccccc21 ZINC001605342779 1351141358 /nfs/dbraw/zinc/14/13/58/1351141358.db2.gz JKYWHZISVFDULU-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc2ccccc21 ZINC001605342779 1351141360 /nfs/dbraw/zinc/14/13/60/1351141360.db2.gz JKYWHZISVFDULU-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ncc(NC(=O)c2cc(Cl)ccc2C)cc1-c1nn[n-]n1 ZINC001605345949 1351141650 /nfs/dbraw/zinc/14/16/50/1351141650.db2.gz CGXCMQGDRQTYEY-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM CSCCCCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001605376672 1351148066 /nfs/dbraw/zinc/14/80/66/1351148066.db2.gz NMKNYKOKCBOWQX-UHFFFAOYSA-N -1 1 332.433 2.074 20 0 EEADMM CSCCCCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001605376672 1351148069 /nfs/dbraw/zinc/14/80/69/1351148069.db2.gz NMKNYKOKCBOWQX-UHFFFAOYSA-N -1 1 332.433 2.074 20 0 EEADMM CSc1ccccc1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605390096 1351151656 /nfs/dbraw/zinc/15/16/56/1351151656.db2.gz RZGMDKUGUVIPBG-UHFFFAOYSA-N -1 1 327.417 2.323 20 0 EEADMM CSc1ccccc1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605390096 1351151660 /nfs/dbraw/zinc/15/16/60/1351151660.db2.gz RZGMDKUGUVIPBG-UHFFFAOYSA-N -1 1 327.417 2.323 20 0 EEADMM C[C@@H](COc1c(F)cccc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605401330 1351154005 /nfs/dbraw/zinc/15/40/05/1351154005.db2.gz AJUUNTDYWUNFGV-VIFPVBQESA-N -1 1 332.314 2.419 20 0 EEADMM C[C@@H](COc1c(F)cccc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605401330 1351154007 /nfs/dbraw/zinc/15/40/07/1351154007.db2.gz AJUUNTDYWUNFGV-VIFPVBQESA-N -1 1 332.314 2.419 20 0 EEADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)CC(C)(C)C ZINC001605468742 1351164204 /nfs/dbraw/zinc/16/42/04/1351164204.db2.gz JYICLRRRKYKXHN-UHFFFAOYSA-N -1 1 340.391 2.131 20 0 EEADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)CC(C)(C)C ZINC001605468742 1351164208 /nfs/dbraw/zinc/16/42/08/1351164208.db2.gz JYICLRRRKYKXHN-UHFFFAOYSA-N -1 1 340.391 2.131 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001605649016 1351209679 /nfs/dbraw/zinc/20/96/79/1351209679.db2.gz BZNLMRWPHCGDFB-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001605649016 1351209681 /nfs/dbraw/zinc/20/96/81/1351209681.db2.gz BZNLMRWPHCGDFB-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1ccc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605864809 1351240424 /nfs/dbraw/zinc/24/04/24/1351240424.db2.gz NWCUWMNCQHSABB-GXSJLCMTSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605864809 1351240427 /nfs/dbraw/zinc/24/04/27/1351240427.db2.gz NWCUWMNCQHSABB-GXSJLCMTSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)c(-c2nnn[n-]2)n1 ZINC001605864755 1351240730 /nfs/dbraw/zinc/24/07/30/1351240730.db2.gz LLJFARXFZPVFLS-AWEZNQCLSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)c(-c2nn[n-]n2)n1 ZINC001605864755 1351240733 /nfs/dbraw/zinc/24/07/33/1351240733.db2.gz LLJFARXFZPVFLS-AWEZNQCLSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001605908588 1351251751 /nfs/dbraw/zinc/25/17/51/1351251751.db2.gz GSASKGHDGPJPRM-UHFFFAOYSA-N -1 1 328.328 2.199 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001605908588 1351251752 /nfs/dbraw/zinc/25/17/52/1351251752.db2.gz GSASKGHDGPJPRM-UHFFFAOYSA-N -1 1 328.328 2.199 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)c1 ZINC001605923454 1351254946 /nfs/dbraw/zinc/25/49/46/1351254946.db2.gz KJZYQZBOINUCBR-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1cccnc1C(F)(F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001605947693 1351257885 /nfs/dbraw/zinc/25/78/85/1351257885.db2.gz WMOHKGJXESUZJX-UHFFFAOYSA-N -1 1 346.297 2.006 20 0 EEADMM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCN(C(C)(C)C)CC1 ZINC001606047983 1351266429 /nfs/dbraw/zinc/26/64/29/1351266429.db2.gz YYUMKBYCHQOKFQ-UHFFFAOYSA-N -1 1 348.447 2.399 20 0 EEADMM CNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001606290815 1351289337 /nfs/dbraw/zinc/28/93/37/1351289337.db2.gz GCXAIJABZXACNU-ZDUSSCGKSA-N -1 1 342.395 2.360 20 0 EEADMM COC(=O)[C@H]1[C@@H]2CN(Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C[C@@H]21 ZINC001606513742 1351314425 /nfs/dbraw/zinc/31/44/25/1351314425.db2.gz DQSFCNHEGDOESI-QLPKVWCKSA-N -1 1 341.363 2.496 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccnc(Cl)c1 ZINC001606830835 1351363573 /nfs/dbraw/zinc/36/35/73/1351363573.db2.gz MKRIFODVAOKGPV-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1csc(-c2nn[n-]n2)c1 ZINC001606930003 1351378343 /nfs/dbraw/zinc/37/83/43/1351378343.db2.gz PVQLQWBKSUHKQE-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001606945952 1351381699 /nfs/dbraw/zinc/38/16/99/1351381699.db2.gz FHTNYYKZIAGJOB-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001606945952 1351381704 /nfs/dbraw/zinc/38/17/04/1351381704.db2.gz FHTNYYKZIAGJOB-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1nc2ccccc2cc1C1CC1 ZINC001606945844 1351382279 /nfs/dbraw/zinc/38/22/79/1351382279.db2.gz QPKRZDMTUXNXPJ-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1nc2cc(Cl)ccc2[nH]1)c1coc(-c2nn[n-]n2)c1 ZINC001606949424 1351383110 /nfs/dbraw/zinc/38/31/10/1351383110.db2.gz MQIKCRXWIIWYLT-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1nc(C(F)(F)F)co1)c1ccsc1-c1nnn[n-]1 ZINC001606949554 1351383131 /nfs/dbraw/zinc/38/31/31/1351383131.db2.gz FGKWFALPKOAISR-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1nc(C(F)(F)F)co1)c1ccsc1-c1nn[n-]n1 ZINC001606949554 1351383135 /nfs/dbraw/zinc/38/31/35/1351383135.db2.gz FGKWFALPKOAISR-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1([C@H]2CCCCO2)CCC1 ZINC001606982538 1351391903 /nfs/dbraw/zinc/39/19/03/1351391903.db2.gz SDROJQRBWULNIQ-CQSZACIVSA-N -1 1 343.387 2.044 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1([C@H]2CCCCO2)CCC1 ZINC001606982538 1351391905 /nfs/dbraw/zinc/39/19/05/1351391905.db2.gz SDROJQRBWULNIQ-CQSZACIVSA-N -1 1 343.387 2.044 20 0 EEADMM O[C@]1(C2CC2)CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001607098419 1351417373 /nfs/dbraw/zinc/41/73/73/1351417373.db2.gz NXGFTURRXRFCPB-GOSISDBHSA-N -1 1 336.399 2.156 20 0 EEADMM O[C@]1(C2CC2)CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001607098419 1351417375 /nfs/dbraw/zinc/41/73/75/1351417375.db2.gz NXGFTURRXRFCPB-GOSISDBHSA-N -1 1 336.399 2.156 20 0 EEADMM c1csc(C[C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC001607116186 1351425065 /nfs/dbraw/zinc/42/50/65/1351425065.db2.gz FMUAPVBMGSAAFV-LLVKDONJSA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(C[C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC001607116186 1351425066 /nfs/dbraw/zinc/42/50/66/1351425066.db2.gz FMUAPVBMGSAAFV-LLVKDONJSA-N -1 1 327.417 2.177 20 0 EEADMM COc1ccc([C@H](NCc2cccc3c2OCC3)C(=O)[O-])cc1O ZINC001607234905 1351455319 /nfs/dbraw/zinc/45/53/19/1351455319.db2.gz PQSCJEALBYSVQE-INIZCTEOSA-N -1 1 329.352 2.251 20 0 EEADMM C[C@H]1CN([C@H]2CCN(c3c(F)cccc3F)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607475024 1351499797 /nfs/dbraw/zinc/49/97/97/1351499797.db2.gz ZOUJTLBXFIVRHE-SVKFGRERSA-N -1 1 338.354 2.113 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H]([C@@H]3CCCO3)C2)c(C)c1C(=O)[O-] ZINC001607484275 1351501883 /nfs/dbraw/zinc/50/18/83/1351501883.db2.gz GQEUQGDNSWDKBM-IHRRRGAJSA-N -1 1 334.416 2.402 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC001607752308 1351552050 /nfs/dbraw/zinc/55/20/50/1351552050.db2.gz YMWYKVGBUHBENM-HUUCEWRRSA-N -1 1 336.457 2.064 20 0 EEADMM Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)nc1Cl ZINC001607779155 1351556944 /nfs/dbraw/zinc/55/69/44/1351556944.db2.gz CLDGAJKXDTVDSE-YZKWQOGNSA-N -1 1 338.791 2.041 20 0 EEADMM Cn1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-] ZINC001608113980 1351627625 /nfs/dbraw/zinc/62/76/25/1351627625.db2.gz IAUONMDSRCTLCO-AWEZNQCLSA-N -1 1 347.802 2.272 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(CCC(=O)NC1CCCC1)CC2 ZINC001608309645 1351668174 /nfs/dbraw/zinc/66/81/74/1351668174.db2.gz ZXCYIDZNTPZFHC-UHFFFAOYSA-N -1 1 334.391 2.331 20 0 EEADMM CSc1nc(CNC(=O)CCc2nc3ccccc3o2)cc(=O)[n-]1 ZINC001627727571 1352507973 /nfs/dbraw/zinc/50/79/73/1352507973.db2.gz HKJZPWNDZVNDLP-UHFFFAOYSA-N -1 1 344.396 2.294 20 0 EEADMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cnc(C2CC2)[n-]c1=O ZINC001628791785 1352543588 /nfs/dbraw/zinc/54/35/88/1352543588.db2.gz ZHZGIRADECZQNN-UHFFFAOYSA-N -1 1 341.346 2.048 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@]2(CCOC2=O)C1 ZINC001646630875 1352893174 /nfs/dbraw/zinc/89/31/74/1352893174.db2.gz UXJVPLQIEISWFM-AWEZNQCLSA-N -1 1 329.274 2.190 20 0 EEADMM CC1(C)CCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@@H]2CCOC2)CC1 ZINC001646890805 1353028810 /nfs/dbraw/zinc/02/88/10/1353028810.db2.gz XLPVIGDKRJJCGE-LBPRGKRZSA-N -1 1 346.435 2.037 20 0 EEADMM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646983609 1353089408 /nfs/dbraw/zinc/08/94/08/1353089408.db2.gz HURACTBAWTVCAR-LSDHHAIUSA-N -1 1 345.472 2.474 20 0 EEADMM Cc1nc(CS(=O)(=O)[N-][C@@H](C)c2ncc(-c3ccccc3)o2)no1 ZINC001660367609 1354450467 /nfs/dbraw/zinc/45/04/67/1354450467.db2.gz DOZZZCJDDGEENV-JTQLQIEISA-N -1 1 348.384 2.214 20 0 EEADMM COc1cccc(-c2cc(C[N-]S(=O)(=O)c3ccoc3)on2)c1 ZINC001664434069 1355163547 /nfs/dbraw/zinc/16/35/47/1355163547.db2.gz GDEUYIBGWUSGLV-UHFFFAOYSA-N -1 1 334.353 2.422 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc(OC)c1 ZINC001185944427 1368173974 /nfs/dbraw/zinc/17/39/74/1368173974.db2.gz ZEGKBOCLUMNNQG-UHFFFAOYSA-N -1 1 333.369 2.381 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)sn1 ZINC001186395601 1368197408 /nfs/dbraw/zinc/19/74/08/1368197408.db2.gz MLPIVIAGNRCHQB-UHFFFAOYSA-N -1 1 334.426 2.182 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2n[n-]nc2C(F)(F)F)n1 ZINC001187773245 1368262484 /nfs/dbraw/zinc/26/24/84/1368262484.db2.gz BOSRBLVHRSITOG-UHFFFAOYSA-N -1 1 327.310 2.235 20 0 EEADMM O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1n[n-]nc1C(F)(F)F ZINC001187773277 1368262516 /nfs/dbraw/zinc/26/25/16/1368262516.db2.gz DEHAOEMSJXIHTR-SECBINFHSA-N -1 1 329.257 2.239 20 0 EEADMM COc1nc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)ccc1F ZINC001190062169 1368390185 /nfs/dbraw/zinc/39/01/85/1368390185.db2.gz YEHDRXVPLMOVPX-UHFFFAOYSA-N -1 1 331.756 2.387 20 0 EEADMM O=S(=O)([N-]c1cccc2c1COC2)c1ccc2nccnc2c1 ZINC001198154242 1368625205 /nfs/dbraw/zinc/62/52/05/1368625205.db2.gz XPOQCKKJJOQMKI-UHFFFAOYSA-N -1 1 327.365 2.461 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C(F)F ZINC001488782661 1369067482 /nfs/dbraw/zinc/06/74/82/1369067482.db2.gz QIKYOLOPVVSXBB-VHSXEESVSA-N -1 1 343.374 2.092 20 0 EEADMM CC(C)n1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC000852758079 1369298848 /nfs/dbraw/zinc/29/88/48/1369298848.db2.gz XQBNDMIIPGYGNB-YPMHNXCESA-N -1 1 332.370 2.353 20 0 EEADMM CCc1nsc(NC[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001069461882 1370134248 /nfs/dbraw/zinc/13/42/48/1370134248.db2.gz UTXOZXVZUDGJON-GHMZBOCLSA-N -1 1 347.444 2.212 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001071952244 1370585743 /nfs/dbraw/zinc/58/57/43/1370585743.db2.gz JULMBPHZOGZGKK-OLZOCXBDSA-N -1 1 347.459 2.436 20 0 EEADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(N)=O)CC2 ZINC000782532950 1371308307 /nfs/dbraw/zinc/30/83/07/1371308307.db2.gz CGFIYZIZDQNADQ-UHFFFAOYSA-N -1 1 345.424 2.491 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc3c(c2)CC(=O)N3)[n-]1 ZINC000796818060 1371472896 /nfs/dbraw/zinc/47/28/96/1371472896.db2.gz NBYSEELJUZUSJP-VIFPVBQESA-N -1 1 328.324 2.214 20 0 EEADMM Cc1cccn2cc(CC(=O)OCC(=O)c3ccc([O-])cc3O)nc12 ZINC001116041032 1371718767 /nfs/dbraw/zinc/71/87/67/1371718767.db2.gz BLVMYLRRMKVWSE-UHFFFAOYSA-N -1 1 340.335 2.023 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC000830841455 1372353196 /nfs/dbraw/zinc/35/31/96/1372353196.db2.gz LUVXKRBKPDYMMD-VIFPVBQESA-N -1 1 345.424 2.466 20 0 EEADMM CC1(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001389577358 1388199388 /nfs/dbraw/zinc/19/93/88/1388199388.db2.gz XHKWYQXSSVDSBG-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM COc1cccnc1O[C@@H]1CCN(Cc2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001140498199 1372588265 /nfs/dbraw/zinc/58/82/65/1372588265.db2.gz HFGLZJQMGMTZMQ-CYBMUJFWSA-N -1 1 345.399 2.387 20 0 EEADMM [O-]c1c(F)cc(CN2CCn3c(Br)nnc3C2)cc1F ZINC001140990940 1372731129 /nfs/dbraw/zinc/73/11/29/1372731129.db2.gz DTFUJNFAIMVVBA-UHFFFAOYSA-N -1 1 345.147 2.040 20 0 EEADMM Cc1[nH]c(SCC(=O)[N-]OCC(C)(C)O)nc1Cc1ccccc1 ZINC000839741587 1372912873 /nfs/dbraw/zinc/91/28/73/1372912873.db2.gz PCTZGWUCGAARRY-UHFFFAOYSA-N -1 1 349.456 2.220 20 0 EEADMM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc([O-])c1F ZINC001361874600 1373350344 /nfs/dbraw/zinc/35/03/44/1373350344.db2.gz COIBVVOROODALL-CQSZACIVSA-N -1 1 328.343 2.062 20 0 EEADMM CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)[N-]N3CCCC3=O)n[nH]2)c1C ZINC001362685022 1373448846 /nfs/dbraw/zinc/44/88/46/1373448846.db2.gz HVXOLRNEEGOUFN-SNVBAGLBSA-N -1 1 344.419 2.128 20 0 EEADMM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-]Cc1nnc(C2CC2)o1 ZINC001364849795 1373620955 /nfs/dbraw/zinc/62/09/55/1373620955.db2.gz NJJJBFFKWOTGBD-SNVBAGLBSA-N -1 1 335.376 2.192 20 0 EEADMM CCCC[C@@H](CNC(=O)c1occc1C)NC(=O)c1ncccc1[O-] ZINC001370061384 1374777207 /nfs/dbraw/zinc/77/72/07/1374777207.db2.gz PABWRPAKHJTAGX-ZDUSSCGKSA-N -1 1 345.399 2.407 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC001370346855 1374899401 /nfs/dbraw/zinc/89/94/01/1374899401.db2.gz RDQLFQMAMLSFNQ-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(CCCC1CCCC1)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001370949837 1375157883 /nfs/dbraw/zinc/15/78/83/1375157883.db2.gz HSCYKGIDUCWNRS-HNNXBMFYSA-N -1 1 349.479 2.342 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](C)NCc2ccc(Cl)cc2F)c1[O-] ZINC001371150471 1375260210 /nfs/dbraw/zinc/26/02/10/1375260210.db2.gz QTMTZLZGTUFCJG-QMMMGPOBSA-N -1 1 340.786 2.124 20 0 EEADMM O=C(CCCC1CC1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001372112742 1375780568 /nfs/dbraw/zinc/78/05/68/1375780568.db2.gz LWNFRQUWQMMONO-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H](C)C1CC1 ZINC001374118716 1376587298 /nfs/dbraw/zinc/58/72/98/1376587298.db2.gz RWZNHCZVYOHQOE-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(NCC[C@H]1CCCCN1C(=O)c1ccco1)c1ncccc1[O-] ZINC001375877624 1378095330 /nfs/dbraw/zinc/09/53/30/1378095330.db2.gz PEBRHGREZYMQQC-CYBMUJFWSA-N -1 1 343.383 2.195 20 0 EEADMM CCC(CC)CC(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001377945062 1379587558 /nfs/dbraw/zinc/58/75/58/1379587558.db2.gz QPIGQVXBRXGRNX-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001379953630 1380960293 /nfs/dbraw/zinc/96/02/93/1380960293.db2.gz CTONQLSOVGIZDP-CQSZACIVSA-N -1 1 347.459 2.438 20 0 EEADMM CCC1(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001381409696 1381603588 /nfs/dbraw/zinc/60/35/88/1381603588.db2.gz KNMVDVLTZAHWMO-STQMWFEESA-N -1 1 331.416 2.135 20 0 EEADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)N(C)C(=O)CC(C)(C)C ZINC001383001506 1382320810 /nfs/dbraw/zinc/32/08/10/1382320810.db2.gz UOSQCSMECZFKSB-NSHDSACASA-N -1 1 348.447 2.073 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCCC1CC1 ZINC001383560005 1382557728 /nfs/dbraw/zinc/55/77/28/1382557728.db2.gz AATXZSLULOJNRJ-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM CCN(C(=O)[C@H](C)c1ccco1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001384597355 1385020290 /nfs/dbraw/zinc/02/02/90/1385020290.db2.gz FGWPCRLQKPTKJY-CHWSQXEVSA-N -1 1 345.399 2.151 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CCNC(=O)CC1CC1 ZINC001385016710 1385345040 /nfs/dbraw/zinc/34/50/40/1385345040.db2.gz GMEOAKLEXBMERK-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385254584 1385403611 /nfs/dbraw/zinc/40/36/11/1385403611.db2.gz QADOWMUTWQZJDD-CYBMUJFWSA-N -1 1 333.432 2.142 20 0 EEADMM CCC1(C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001385373121 1385511781 /nfs/dbraw/zinc/51/17/81/1385511781.db2.gz WVHPGOAAZNGOGR-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])c(C)s1 ZINC001386241622 1386028828 /nfs/dbraw/zinc/02/88/28/1386028828.db2.gz PDCISPLOWNOFMS-VIFPVBQESA-N -1 1 333.413 2.014 20 0 EEADMM Cc1ccccc1[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386300889 1386055401 /nfs/dbraw/zinc/05/54/01/1386055401.db2.gz LAIDUCZKGWVIOL-ZIAGYGMSSA-N -1 1 341.411 2.134 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccsc1 ZINC001387443163 1386737914 /nfs/dbraw/zinc/73/79/14/1386737914.db2.gz VBASWUHXENJTGC-VXGBXAGGSA-N -1 1 347.440 2.277 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001392580133 1390101794 /nfs/dbraw/zinc/10/17/94/1390101794.db2.gz PLKDWQHNRPDFHO-LLVKDONJSA-N -1 1 345.399 2.360 20 0 EEADMM CC[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001393302410 1390401276 /nfs/dbraw/zinc/40/12/76/1390401276.db2.gz GMZQQYFMFRLBFI-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM CCc1ccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)cc1 ZINC001393611250 1390493546 /nfs/dbraw/zinc/49/35/46/1390493546.db2.gz SOTKOQZKVPUEPK-UHFFFAOYSA-N -1 1 339.395 2.042 20 0 EEADMM C[C@@H]1[C@H](NC(=O)CCC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001395853560 1390865606 /nfs/dbraw/zinc/86/56/06/1390865606.db2.gz VYLZUKUKORYYIW-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM CCC[C@H](C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)C ZINC001397025331 1391012676 /nfs/dbraw/zinc/01/26/76/1391012676.db2.gz VHKZJXKAVXZVHR-LSDHHAIUSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCC1 ZINC001397298084 1391151518 /nfs/dbraw/zinc/15/15/18/1391151518.db2.gz ISGXPDJUSWZXHG-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM CCN(CCNC(=O)[C@@H](F)c1ccccc1)C(=O)c1ncccc1[O-] ZINC001398083901 1391677922 /nfs/dbraw/zinc/67/79/22/1391677922.db2.gz GIXUVXQZCYGDQV-HNNXBMFYSA-N -1 1 345.374 2.076 20 0 EEADMM C[C@H](CNC(=O)c1ccccc1CC(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001398939064 1394339820 /nfs/dbraw/zinc/33/98/20/1394339820.db2.gz GUOHCKPARONZAY-GFCCVEGCSA-N -1 1 345.447 2.007 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001399773614 1395506292 /nfs/dbraw/zinc/50/62/92/1395506292.db2.gz LQPDELBRAOKTMI-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CCCc1nc(CN[C@H](C)CNC(=O)c2ncccc2[O-])cs1 ZINC001402872403 1398250035 /nfs/dbraw/zinc/25/00/35/1398250035.db2.gz RZEGEFDLKACTIS-LLVKDONJSA-N -1 1 334.445 2.104 20 0 EEADMM CCCC1(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])CCC1 ZINC001424248329 1400991006 /nfs/dbraw/zinc/99/10/06/1400991006.db2.gz JUYXNSAZUFBEQQ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)CCC2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001425617066 1401671790 /nfs/dbraw/zinc/67/17/90/1401671790.db2.gz XSZLFNRSIGZZAB-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CCC1(C)C ZINC001427468191 1402432506 /nfs/dbraw/zinc/43/25/06/1402432506.db2.gz ANKPZTGMZUMBJY-DCAQKATOSA-N -1 1 335.370 2.416 20 0 EEADMM CC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001431937845 1403162097 /nfs/dbraw/zinc/16/20/97/1403162097.db2.gz OSVMXVYVWBLITJ-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)n1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cn1 ZINC001434127834 1403457404 /nfs/dbraw/zinc/45/74/04/1403457404.db2.gz FJBQVMVTLHANLZ-JQWIXIFHSA-N -1 1 346.353 2.136 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ncccc1OCc1ccccc1 ZINC001570218933 1403511786 /nfs/dbraw/zinc/51/17/86/1403511786.db2.gz NTQPVKCEEZDWOJ-UHFFFAOYSA-N -1 1 338.371 2.135 20 0 EEADMM CCCC(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577191641 1403625324 /nfs/dbraw/zinc/62/53/24/1403625324.db2.gz ZTZNEGMGYYHFQI-HNNXBMFYSA-N -1 1 349.464 2.082 20 0 EEADMM O=C(N[C@@H](c1c[nH]nn1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC001577973327 1403700811 /nfs/dbraw/zinc/70/08/11/1403700811.db2.gz QZVGIIUYSWZHIF-CQSZACIVSA-N -1 1 348.284 2.447 20 0 EEADMM COc1cc(Oc2cncc(-c3nnn[n-]3)n2)ccc1Br ZINC001579937132 1403799184 /nfs/dbraw/zinc/79/91/84/1403799184.db2.gz DSKKHALLXVKLCN-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1cc(Oc2cncc(-c3nn[n-]n3)n2)ccc1Br ZINC001579937132 1403799187 /nfs/dbraw/zinc/79/91/87/1403799187.db2.gz DSKKHALLXVKLCN-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ncc(NC(=O)[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC001580130787 1403834145 /nfs/dbraw/zinc/83/41/45/1403834145.db2.gz XLCOXVVFRMSXOT-QMMMGPOBSA-N -1 1 330.373 2.074 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502074 1403880820 /nfs/dbraw/zinc/88/08/20/1403880820.db2.gz JGKCONZEPPKGEE-ZYHUDNBSSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502074 1403880828 /nfs/dbraw/zinc/88/08/28/1403880828.db2.gz JGKCONZEPPKGEE-ZYHUDNBSSA-N -1 1 342.407 2.363 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2cnn(CC3CCC3)c2)n1 ZINC001591890568 1403969606 /nfs/dbraw/zinc/96/96/06/1403969606.db2.gz BXRSNSGHCIBCMC-LLVKDONJSA-N -1 1 339.407 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2cnn(CC3CCC3)c2)n1 ZINC001591890568 1403969610 /nfs/dbraw/zinc/96/96/10/1403969610.db2.gz BXRSNSGHCIBCMC-LLVKDONJSA-N -1 1 339.407 2.135 20 0 EEADMM Cc1nsc(NC(=O)c2coc(C3CCC3)n2)c1-c1nnn[n-]1 ZINC001592482069 1404701903 /nfs/dbraw/zinc/70/19/03/1404701903.db2.gz QOWZAEUFHCEISK-UHFFFAOYSA-N -1 1 331.361 2.139 20 0 EEADMM Cc1nsc(NC(=O)c2coc(C3CCC3)n2)c1-c1nn[n-]n1 ZINC001592482069 1404701907 /nfs/dbraw/zinc/70/19/07/1404701907.db2.gz QOWZAEUFHCEISK-UHFFFAOYSA-N -1 1 331.361 2.139 20 0 EEADMM Cc1nsc(NC(=O)[C@H](F)Cc2ccccc2)c1-c1nnn[n-]1 ZINC001606148477 1404769498 /nfs/dbraw/zinc/76/94/98/1404769498.db2.gz JVKHUNCRGCXIPB-SNVBAGLBSA-N -1 1 332.364 2.151 20 0 EEADMM Cc1nsc(NC(=O)[C@H](F)Cc2ccccc2)c1-c1nn[n-]n1 ZINC001606148477 1404769499 /nfs/dbraw/zinc/76/94/99/1404769499.db2.gz JVKHUNCRGCXIPB-SNVBAGLBSA-N -1 1 332.364 2.151 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001606313183 1404787985 /nfs/dbraw/zinc/78/79/85/1404787985.db2.gz JUQWQBYPQCYHTN-VIFPVBQESA-N -1 1 333.277 2.173 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606327250 1404793718 /nfs/dbraw/zinc/79/37/18/1404793718.db2.gz ZJFWVRWBDRQMSF-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606327250 1404793725 /nfs/dbraw/zinc/79/37/25/1404793725.db2.gz ZJFWVRWBDRQMSF-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM O=C(Nc1ccc2c(c1)NC(=O)C2)c1nc[n-]c1C(=O)c1ccccc1 ZINC001644384759 1404820079 /nfs/dbraw/zinc/82/00/79/1404820079.db2.gz OIZJOWZXHNCBMD-UHFFFAOYSA-N -1 1 346.346 2.388 20 0 EEADMM CCC1([N-]S(=O)(=O)c2c(F)cc(F)cc2OC)CCOCC1 ZINC001645636244 1404833502 /nfs/dbraw/zinc/83/35/02/1404833502.db2.gz UBDKXDSRCYYANO-UHFFFAOYSA-N -1 1 335.372 2.211 20 0 EEADMM O=C(NCc1cccc(OCC(F)(F)F)n1)c1cncc([O-])c1 ZINC001645768249 1404848836 /nfs/dbraw/zinc/84/88/36/1404848836.db2.gz FNUKRUQTEDGNBX-UHFFFAOYSA-N -1 1 327.262 2.053 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1noc(C)n1 ZINC000124364208 1404928553 /nfs/dbraw/zinc/92/85/53/1404928553.db2.gz VDVMLQITULVRTP-LLVKDONJSA-N -1 1 340.792 2.333 20 0 EEADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC000164093993 1405704367 /nfs/dbraw/zinc/70/43/67/1405704367.db2.gz SWMBVHWMXLBRJD-UHFFFAOYSA-N -1 1 341.342 2.484 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)cc1C ZINC000171267215 1405729404 /nfs/dbraw/zinc/72/94/04/1405729404.db2.gz XXMKYBKWSRPGTK-UHFFFAOYSA-N -1 1 325.308 2.476 20 0 EEADMM Cc1[nH]ccc1C(=O)NCCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001756914283 1409495205 /nfs/dbraw/zinc/49/52/05/1409495205.db2.gz RKHOFVYWXZXPNI-LBPRGKRZSA-N -1 1 344.415 2.142 20 0 EEADMM CCC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cccc1Br ZINC000305207643 1409799833 /nfs/dbraw/zinc/79/98/33/1409799833.db2.gz NNNHRJJRZQIHCH-MRVPVSSYSA-N -1 1 340.214 2.028 20 0 EEADMM CCC[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)C1 ZINC001772330475 1410134369 /nfs/dbraw/zinc/13/43/69/1410134369.db2.gz HWEQZGNFEFFYIW-ZDUSSCGKSA-N -1 1 332.456 2.055 20 0 EEADMM CCC[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC(C)C)C1 ZINC001772330475 1410134366 /nfs/dbraw/zinc/13/43/66/1410134366.db2.gz HWEQZGNFEFFYIW-ZDUSSCGKSA-N -1 1 332.456 2.055 20 0 EEADMM CCN(CC1CC1)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001772371612 1410155787 /nfs/dbraw/zinc/15/57/87/1410155787.db2.gz IDUAXNRBMCPMBS-ZDUSSCGKSA-N -1 1 346.435 2.179 20 0 EEADMM CC(C)c1noc([C@H](C)[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n1 ZINC000864329629 1410460286 /nfs/dbraw/zinc/46/02/86/1410460286.db2.gz XZIMSXOXXBLBIH-RYUDHWBXSA-N -1 1 346.435 2.305 20 0 EEADMM CCCC1(C(=O)N2CC[C@H](CCNC(=O)c3ncccc3[O-])C2)CC1 ZINC001060348493 790274014 /nfs/dbraw/zinc/27/40/14/790274014.db2.gz LDQMDRCKZWCETO-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)nn(C(C)(C)C)c2C)n1 ZINC000846651688 790313180 /nfs/dbraw/zinc/31/31/80/790313180.db2.gz YEKWNLSOJDIVKU-UHFFFAOYSA-N -1 1 333.392 2.407 20 0 EEADMM CC(C)=C(F)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060708877 768881487 /nfs/dbraw/zinc/88/14/87/768881487.db2.gz DLIUEGPQGJFIHO-JOCQHMNTSA-N -1 1 349.406 2.455 20 0 EEADMM O=C(CC1CCC1)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060716059 769104220 /nfs/dbraw/zinc/10/42/20/769104220.db2.gz VLRHJOQGCDLJMH-SHTZXODSSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1csc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000979744227 773217146 /nfs/dbraw/zinc/21/71/46/773217146.db2.gz RPHJBBYILVDFML-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1nc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])sc1C ZINC001027843989 773415139 /nfs/dbraw/zinc/41/51/39/773415139.db2.gz KQLYQUICRQABRR-ZDUSSCGKSA-N -1 1 346.456 2.255 20 0 EEADMM C/C=C(\C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995280337 783192995 /nfs/dbraw/zinc/19/29/95/783192995.db2.gz VCDMRPWWFPCFTE-GCEIDZJZSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([O-])CCCCCCCNC(=O)c1nnc2ccccc2c1O ZINC000238111919 774722416 /nfs/dbraw/zinc/72/24/16/774722416.db2.gz KNYCLLLOQXCDMH-UHFFFAOYSA-N -1 1 331.372 2.078 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccnc(C(F)(F)F)c1 ZINC000809621496 783229050 /nfs/dbraw/zinc/22/90/50/783229050.db2.gz HCDXTLBDQHKNCM-LBPRGKRZSA-N -1 1 348.288 2.133 20 0 EEADMM Cc1cc([O-])c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)o1 ZINC000181386087 776412225 /nfs/dbraw/zinc/41/22/25/776412225.db2.gz GJJGDDARPSOCIH-LYKUJDHUSA-N -1 1 335.699 2.476 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc(F)c(N)c2)c1 ZINC001212347319 778254233 /nfs/dbraw/zinc/25/42/33/778254233.db2.gz GDPIXFZTPGEZIJ-UHFFFAOYSA-N -1 1 325.321 2.124 20 0 EEADMM Cc1ccc(NCC(=O)N[N-]C(=O)c2cc(F)ccc2F)c(C)c1 ZINC000060781601 790701429 /nfs/dbraw/zinc/70/14/29/790701429.db2.gz SOVZDVYMIZEAPI-UHFFFAOYSA-N -1 1 333.338 2.455 20 0 EEADMM O=C(Cc1cccnc1)N[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000185848862 783827229 /nfs/dbraw/zinc/82/72/29/783827229.db2.gz HUDQDQVLRNENHE-UHFFFAOYSA-N -1 1 325.702 2.017 20 0 EEADMM CCSc1ccccc1CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000907105612 784375397 /nfs/dbraw/zinc/37/53/97/784375397.db2.gz UOPOAHILGHJPDQ-CYBMUJFWSA-N -1 1 331.445 2.260 20 0 EEADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000817069114 784479251 /nfs/dbraw/zinc/47/92/51/784479251.db2.gz DWPYYZGDDFWCIV-SNVBAGLBSA-N -1 1 342.189 2.321 20 0 EEADMM CCCCc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907473053 784642030 /nfs/dbraw/zinc/64/20/30/784642030.db2.gz BOFDDIWJRCXGFN-CQSZACIVSA-N -1 1 331.445 2.473 20 0 EEADMM O=C(CCSCc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478299 784647384 /nfs/dbraw/zinc/64/73/84/784647384.db2.gz ILQCQJBRNBSZJO-ZDUSSCGKSA-N -1 1 349.485 2.140 20 0 EEADMM O=C([C@H]1CCc2c1cccc2Cl)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479991 784686712 /nfs/dbraw/zinc/68/67/12/784686712.db2.gz OCAJQENZMWNMKT-WCQYABFASA-N -1 1 349.847 2.200 20 0 EEADMM Cc1noc(C2([N-]S(=O)(=O)Cc3ccccc3Cl)CC2)n1 ZINC000907865823 784918544 /nfs/dbraw/zinc/91/85/44/784918544.db2.gz TULSTMRRNKRDMK-UHFFFAOYSA-N -1 1 327.793 2.140 20 0 EEADMM CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000907840583 784923268 /nfs/dbraw/zinc/92/32/68/784923268.db2.gz BUEPREUJDZBNLP-UPJWGTAASA-N -1 1 344.333 2.145 20 0 EEADMM CCOC(=O)[C@@H]1CSCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000907907822 784955027 /nfs/dbraw/zinc/95/50/27/784955027.db2.gz UQIKSAJPYRGASH-NSHDSACASA-N -1 1 329.805 2.053 20 0 EEADMM O=S(=O)([N-]Cc1ccc(CCO)cc1)c1ccc(C(F)F)o1 ZINC000908263905 785278689 /nfs/dbraw/zinc/27/86/89/785278689.db2.gz KFWFOYKOUUMHEI-UHFFFAOYSA-N -1 1 331.340 2.231 20 0 EEADMM CC(C)C[C@@H](CNC(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818625895 785307135 /nfs/dbraw/zinc/30/71/35/785307135.db2.gz XXTHGUHSCQNLSM-ZDUSSCGKSA-N -1 1 345.403 2.018 20 0 EEADMM CC(C)C[C@@H](CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000818625895 785307146 /nfs/dbraw/zinc/30/71/46/785307146.db2.gz XXTHGUHSCQNLSM-ZDUSSCGKSA-N -1 1 345.403 2.018 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCc2nn[nH]c21 ZINC000908706934 785660497 /nfs/dbraw/zinc/66/04/97/785660497.db2.gz BRLKKIYZKYIJCH-ZETCQYMHSA-N -1 1 337.177 2.331 20 0 EEADMM CC[C@]1(C(=O)Nc2cccc([O-])c2Br)CCNC1=O ZINC000908717383 785668985 /nfs/dbraw/zinc/66/89/85/785668985.db2.gz KFAKTFGGDDYHSH-ZDUSSCGKSA-N -1 1 327.178 2.010 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@H](C)C(=O)[O-] ZINC000908746730 785685710 /nfs/dbraw/zinc/68/57/10/785685710.db2.gz DLRDHUBFFYFQCA-KGLIPLIRSA-N -1 1 337.420 2.311 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000908748383 785688249 /nfs/dbraw/zinc/68/82/49/785688249.db2.gz VZKNVNDKVYAIKP-KFWWJZLASA-N -1 1 349.431 2.311 20 0 EEADMM CC(C)(C)c1nccc(NC/C=C\CNC(=O)c2ncccc2[O-])n1 ZINC001107138867 785963178 /nfs/dbraw/zinc/96/31/78/785963178.db2.gz BRZFHDMSWDDKGM-PLNGDYQASA-N -1 1 341.415 2.273 20 0 EEADMM O=C([O-])[C@H](CNC(=O)CN1CCCC1)Cc1ccc2ccccc2c1 ZINC000909261592 786136438 /nfs/dbraw/zinc/13/64/38/786136438.db2.gz LFUPXZQBRMFHKD-SFHVURJKSA-N -1 1 340.423 2.295 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000909296496 786148710 /nfs/dbraw/zinc/14/87/10/786148710.db2.gz OEVVAHBJQLFLFJ-GOSISDBHSA-N -1 1 340.423 2.146 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000909730315 786196102 /nfs/dbraw/zinc/19/61/02/786196102.db2.gz DUSOGHGOFWRURR-ICXUMSERSA-N -1 1 330.428 2.020 20 0 EEADMM COc1cc[n-]c(=NNS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000031721280 786397909 /nfs/dbraw/zinc/39/79/09/786397909.db2.gz IIYJNTLMYHQNFL-UHFFFAOYSA-N -1 1 349.199 2.097 20 0 EEADMM COc1cc[nH]c(=N[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000031721280 786397915 /nfs/dbraw/zinc/39/79/15/786397915.db2.gz IIYJNTLMYHQNFL-UHFFFAOYSA-N -1 1 349.199 2.097 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000910067742 786428623 /nfs/dbraw/zinc/42/86/23/786428623.db2.gz DBXQGCSCDUTOSF-BZNIZROVSA-N -1 1 339.395 2.359 20 0 EEADMM CC(C)COc1cccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000910244214 786569908 /nfs/dbraw/zinc/56/99/08/786569908.db2.gz DEDNXCKBOKDFLL-CQSZACIVSA-N -1 1 334.416 2.457 20 0 EEADMM CN(C)C1(C(=O)Nc2ccc(-n3ccc(C(=O)[O-])n3)c(F)c2)CCC1 ZINC000910247908 786574830 /nfs/dbraw/zinc/57/48/30/786574830.db2.gz PXEYNQUQMSTVBU-UHFFFAOYSA-N -1 1 346.362 2.132 20 0 EEADMM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000910333853 786664340 /nfs/dbraw/zinc/66/43/40/786664340.db2.gz ICBMBYKSEKJIIX-INIZCTEOSA-N -1 1 325.368 2.383 20 0 EEADMM Cc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822224851 787079463 /nfs/dbraw/zinc/07/94/63/787079463.db2.gz CNFCEYMRNOTRBA-UHFFFAOYSA-N -1 1 328.353 2.276 20 0 EEADMM Cc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822224851 787079472 /nfs/dbraw/zinc/07/94/72/787079472.db2.gz CNFCEYMRNOTRBA-UHFFFAOYSA-N -1 1 328.353 2.276 20 0 EEADMM CC(C)c1cc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC000911038985 787207306 /nfs/dbraw/zinc/20/73/06/787207306.db2.gz CUUWPIJPNQIQDQ-SECBINFHSA-N -1 1 334.401 2.318 20 0 EEADMM O=C([O-])CN1CCCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000911220059 787316880 /nfs/dbraw/zinc/31/68/80/787316880.db2.gz KJVFPRAOZHIPCZ-UHFFFAOYSA-N -1 1 345.424 2.043 20 0 EEADMM O=C([O-])CN1CCCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 ZINC000911220500 787317629 /nfs/dbraw/zinc/31/76/29/787317629.db2.gz NXFGSKHVPPDARU-UHFFFAOYSA-N -1 1 345.424 2.043 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000911250611 787334194 /nfs/dbraw/zinc/33/41/94/787334194.db2.gz QVSPRDPWJCUAIJ-OAHLLOKOSA-N -1 1 345.443 2.412 20 0 EEADMM CCN(CC)[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccco1 ZINC000911254015 787351884 /nfs/dbraw/zinc/35/18/84/787351884.db2.gz ONTYPPPIMFVBIK-CQSZACIVSA-N -1 1 331.372 2.186 20 0 EEADMM Cc1nc([C@H]2CCCN(C(=O)c3ccccc3CCC(=O)[O-])C2)n[nH]1 ZINC000911325620 787377774 /nfs/dbraw/zinc/37/77/74/787377774.db2.gz ORAKDIHFGPZGOA-AWEZNQCLSA-N -1 1 342.399 2.150 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCCC2)N2CCCC2)o1 ZINC000911332389 787382034 /nfs/dbraw/zinc/38/20/34/787382034.db2.gz MDNXWHKUOLTNKS-CQSZACIVSA-N -1 1 334.416 2.486 20 0 EEADMM Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCCC1)C2 ZINC000911783622 787711767 /nfs/dbraw/zinc/71/17/67/787711767.db2.gz SNFCEGRUABZHAH-CZUORRHYSA-N -1 1 333.432 2.363 20 0 EEADMM O=C([N-]c1nc2n(n1)CCCC2)c1csc(Br)n1 ZINC000823473041 787770424 /nfs/dbraw/zinc/77/04/24/787770424.db2.gz HSWZWIUQWDXZOA-UHFFFAOYSA-N -1 1 328.195 2.086 20 0 EEADMM O=C1OC(c2ccsc2)=NC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551676 787816159 /nfs/dbraw/zinc/81/61/59/787816159.db2.gz YYUMOAGFXCMYHV-WEVVVXLNSA-N -1 1 329.366 2.334 20 0 EEADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)NCC12CC3CC(CC(C3)C1)C2 ZINC000823645382 787850105 /nfs/dbraw/zinc/85/01/05/787850105.db2.gz NTCKMTOTNZGTHI-LZUXJJCOSA-N -1 1 334.460 2.116 20 0 EEADMM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001077667838 788187299 /nfs/dbraw/zinc/18/72/99/788187299.db2.gz JPCJHCXEMAUEDS-OLZOCXBDSA-N -1 1 335.448 2.484 20 0 EEADMM CSCC[C@H](NC(=O)CCc1cccc(F)c1F)c1nn[n-]n1 ZINC000912860325 788418962 /nfs/dbraw/zinc/41/89/62/788418962.db2.gz MBWZSLKFVKWVDC-NSHDSACASA-N -1 1 341.387 2.021 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(Cl)cc1F)c1nn[n-]n1 ZINC000912860080 788419140 /nfs/dbraw/zinc/41/91/40/788419140.db2.gz MBCDKSKPWRWNJN-JTQLQIEISA-N -1 1 329.788 2.216 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(COC(C)C)cc1)c1nn[n-]n1 ZINC000912860654 788420386 /nfs/dbraw/zinc/42/03/86/788420386.db2.gz ZQKAIKMMUITJLQ-AWEZNQCLSA-N -1 1 349.460 2.349 20 0 EEADMM CSCC[C@H](NC(=O)c1oc(SC)cc1C)c1nn[n-]n1 ZINC000912863452 788427007 /nfs/dbraw/zinc/42/70/07/788427007.db2.gz YQMRLBOOVHOECX-QMMMGPOBSA-N -1 1 327.435 2.047 20 0 EEADMM CSCC[C@H](NC(=O)[C@@]1(C)CCc2ccccc21)c1nn[n-]n1 ZINC000912863487 788427176 /nfs/dbraw/zinc/42/71/76/788427176.db2.gz ZNISOUSMFRKVRW-BBRMVZONSA-N -1 1 331.445 2.014 20 0 EEADMM CCOC(=O)N(C)CCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000913269143 788745791 /nfs/dbraw/zinc/74/57/91/788745791.db2.gz VMOGIIMZMRVHPJ-UHFFFAOYSA-N -1 1 346.387 2.385 20 0 EEADMM O=C(c1ccc(I)c([O-])c1)N1CC[C@H](CF)C1 ZINC000711471179 789102224 /nfs/dbraw/zinc/10/22/24/789102224.db2.gz PDFHBBDTOZUAQH-MRVPVSSYSA-N -1 1 349.143 2.428 20 0 EEADMM O=C(NC1CN(CCCc2ccccc2Cl)C1)c1ncccc1[O-] ZINC001030242116 789865641 /nfs/dbraw/zinc/86/56/41/789865641.db2.gz PLNSPHADYZWURY-UHFFFAOYSA-N -1 1 345.830 2.487 20 0 EEADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030243556 789870361 /nfs/dbraw/zinc/87/03/61/789870361.db2.gz HDJLFRHYPQTBTN-LLVKDONJSA-N -1 1 344.415 2.248 20 0 EEADMM O=C([O-])c1ccsc1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001144665734 790019590 /nfs/dbraw/zinc/01/95/90/790019590.db2.gz TVQQVZYMZZLBLR-HNNXBMFYSA-N -1 1 346.452 2.125 20 0 EEADMM O=C([O-])[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846260007 790107451 /nfs/dbraw/zinc/10/74/51/790107451.db2.gz CXPNOIZRBWGIHC-MFKMUULPSA-N -1 1 346.196 2.418 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C[C@@H](O)c1ccc(F)cc1Cl ZINC000846276170 790111476 /nfs/dbraw/zinc/11/14/76/790111476.db2.gz ZIEVUCCCZFXNMV-ZWNOBZJWSA-N -1 1 333.812 2.405 20 0 EEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cccc3c2OCCO3)C1 ZINC000846278540 790113163 /nfs/dbraw/zinc/11/31/63/790113163.db2.gz SUWXMBQSXRPJRH-AWEZNQCLSA-N -1 1 331.290 2.297 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCn2c(CC3CC3)nnc2C1 ZINC000846363982 790147390 /nfs/dbraw/zinc/14/73/90/790147390.db2.gz SVKYYCRDZSGBGQ-UHFFFAOYSA-N -1 1 332.791 2.246 20 0 EEADMM O=C(N[C@@H](CNc1nc(C2CC2)ns1)C1CC1)c1ncccc1[O-] ZINC001109821680 806044384 /nfs/dbraw/zinc/04/43/84/806044384.db2.gz MROZXFSGFRNNBT-NSHDSACASA-N -1 1 345.428 2.137 20 0 EEADMM O=C(N[C@@H](CNc1cnc2ccccc2n1)C1CC1)c1ncccc1[O-] ZINC001109821905 806045148 /nfs/dbraw/zinc/04/51/48/806045148.db2.gz TYQIYSTVSBVBIK-HNNXBMFYSA-N -1 1 349.394 2.351 20 0 EEADMM Cc1nccc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879506 791874405 /nfs/dbraw/zinc/87/44/05/791874405.db2.gz CNBNGOIMECIXSZ-TZMCWYRMSA-N -1 1 341.415 2.238 20 0 EEADMM CNC(=O)c1cccc(CCNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001147586357 791876896 /nfs/dbraw/zinc/87/68/96/791876896.db2.gz QJCYAWYERNVYCT-UHFFFAOYSA-N -1 1 349.390 2.273 20 0 EEADMM Cc1cccc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)c1Cl ZINC000998187744 792169041 /nfs/dbraw/zinc/16/90/41/792169041.db2.gz YTWKKYPQAKBKIM-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(Cl)nn3)cc2)[n-]1 ZINC001148335580 792346455 /nfs/dbraw/zinc/34/64/55/792346455.db2.gz APHHGBUMEBLVCY-UHFFFAOYSA-N -1 1 343.774 2.173 20 0 EEADMM Cc1cscc1C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992050366 792474168 /nfs/dbraw/zinc/47/41/68/792474168.db2.gz UXQPPJXDPOSFCE-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNc1nccnc1F)c1ncccc1[O-] ZINC001064171745 792592084 /nfs/dbraw/zinc/59/20/84/792592084.db2.gz PXTJGSAPLXLBQS-NWDGAFQWSA-N -1 1 345.378 2.117 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421311 793123785 /nfs/dbraw/zinc/12/37/85/793123785.db2.gz YUWYTSPBHKIGIN-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cc(CN2CCN(C(=O)c3c([O-])cccc3Cl)CC2)no1 ZINC000143474101 793541072 /nfs/dbraw/zinc/54/10/72/793541072.db2.gz QWAIHPIVYKGGDN-UHFFFAOYSA-N -1 1 335.791 2.300 20 0 EEADMM O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743073 794205712 /nfs/dbraw/zinc/20/57/12/794205712.db2.gz DLENZMWZOABABR-GHMZBOCLSA-N -1 1 331.342 2.274 20 0 EEADMM CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744027 794208789 /nfs/dbraw/zinc/20/87/89/794208789.db2.gz WONCSAQCAIYHGF-ZDUSSCGKSA-N -1 1 349.822 2.417 20 0 EEADMM O=C([C@@H]1CCc2c1cccc2Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913744643 794210348 /nfs/dbraw/zinc/21/03/48/794210348.db2.gz XNZZZKRWVOCOMW-CYBMUJFWSA-N -1 1 331.807 2.289 20 0 EEADMM CCc1c(C(=O)N2CCC(c3nn[n-]n3)CC2)cnn1C(CC)CC ZINC000913745188 794211163 /nfs/dbraw/zinc/21/11/63/794211163.db2.gz SJCWACKJSLFMCJ-UHFFFAOYSA-N -1 1 345.451 2.340 20 0 EEADMM O=C(CC1CC(c2ccccc2)C1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745324 794211841 /nfs/dbraw/zinc/21/18/41/794211841.db2.gz YTAKSZHHMDZELS-UHFFFAOYSA-N -1 1 325.416 2.490 20 0 EEADMM CC(C)c1ocnc1CN1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001079610974 794989250 /nfs/dbraw/zinc/98/92/50/794989250.db2.gz HSPTYUPIESYPMO-CHWSQXEVSA-N -1 1 344.415 2.149 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654012 795056699 /nfs/dbraw/zinc/05/66/99/795056699.db2.gz GHWBPYHFTHESII-OLZOCXBDSA-N -1 1 333.432 2.142 20 0 EEADMM Cc1nccc(NC2(CNC(=O)c3ncccc3[O-])CCCCC2)n1 ZINC001093387072 795133034 /nfs/dbraw/zinc/13/30/34/795133034.db2.gz RTKDGAWDCSYURF-UHFFFAOYSA-N -1 1 341.415 2.430 20 0 EEADMM C[C@@H]1CCC[C@@]1(C)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536136 795591619 /nfs/dbraw/zinc/59/16/19/795591619.db2.gz RYQDZAFEQLKYRL-BFUOFWGJSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)[C@@H](C)CC(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080366653 795945515 /nfs/dbraw/zinc/94/55/15/795945515.db2.gz KIJSAZSNBWXKIV-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM N#CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000011202390 796013418 /nfs/dbraw/zinc/01/34/18/796013418.db2.gz ZXTSDZYIEQSFLT-UHFFFAOYSA-N -1 1 348.355 2.236 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1CC(F)(F)C(F)F ZINC000993222732 796085387 /nfs/dbraw/zinc/08/53/87/796085387.db2.gz WBWUQUSIESGCJN-NXEZZACHSA-N -1 1 349.328 2.270 20 0 EEADMM Cc1noc(C)c1CN1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000993246104 796164412 /nfs/dbraw/zinc/16/44/12/796164412.db2.gz HWZUJVAJFYGXGU-IUODEOHRSA-N -1 1 344.415 2.175 20 0 EEADMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)nc2F)CCO1 ZINC000867031599 796843826 /nfs/dbraw/zinc/84/38/26/796843826.db2.gz WMKJUJYYRWJPHZ-MWLCHTKSSA-N -1 1 334.388 2.232 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022524 797081149 /nfs/dbraw/zinc/08/11/49/797081149.db2.gz FUUWOGVAQHMRSA-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)C2 ZINC000916384812 797598409 /nfs/dbraw/zinc/59/84/09/797598409.db2.gz JSIGFUUZDAAQNV-SGTLLEGYSA-N -1 1 347.415 2.029 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc3c(c2)CCO3)c1 ZINC001174011252 797678153 /nfs/dbraw/zinc/67/81/53/797678153.db2.gz CHWBDGPFDSXSJB-UHFFFAOYSA-N -1 1 334.353 2.337 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cccc(OC)c2OC)no1 ZINC001212768050 798004483 /nfs/dbraw/zinc/00/44/83/798004483.db2.gz LLYXLSTYDRBVRY-UHFFFAOYSA-N -1 1 344.327 2.321 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C1CCCCC1 ZINC001002411890 798030711 /nfs/dbraw/zinc/03/07/11/798030711.db2.gz NBEAWVOYZFHNLV-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)C(C)(C)C1CC1)C(=O)c1ncccc1[O-] ZINC001002861257 798729582 /nfs/dbraw/zinc/72/95/82/798729582.db2.gz GYKZLQOVIARJKH-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)n1)C2)c1ncccc1[O-] ZINC001065542208 799190038 /nfs/dbraw/zinc/19/00/38/799190038.db2.gz JGFKZZUZCRASJZ-AVGNSLFASA-N -1 1 342.374 2.109 20 0 EEADMM Cc1cc(C)nc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065701789 799393297 /nfs/dbraw/zinc/39/32/97/799393297.db2.gz VMEWFUZHSWPDDO-UONOGXRCSA-N -1 1 341.415 2.157 20 0 EEADMM C[C@@H](Nc1ncncc1Cl)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001065701868 799393405 /nfs/dbraw/zinc/39/34/05/799393405.db2.gz WBHRVIPYSKGECU-MNOVXSKESA-N -1 1 347.806 2.193 20 0 EEADMM O=C([C@@H]1CCC[C@@H]1c1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC000827720710 800504751 /nfs/dbraw/zinc/50/47/51/800504751.db2.gz JRRQDPMBQMCTMU-HZPDHXFCSA-N -1 1 325.416 2.490 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@@H](C)c3cccc(F)c3)C2)c1[O-] ZINC001033008662 800745082 /nfs/dbraw/zinc/74/50/82/800745082.db2.gz HNHBHVFKKUMKAO-SWLSCSKDSA-N -1 1 346.406 2.470 20 0 EEADMM CCOC(=O)c1cc(NC(=O)Cc2cc(F)c(OC)c(F)c2)n[nH]1 ZINC001181649659 800861373 /nfs/dbraw/zinc/86/13/73/800861373.db2.gz HYDWVROGGKGDSL-UHFFFAOYSA-N -1 1 339.298 2.054 20 0 EEADMM CCC1(CC)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC001181881214 800944926 /nfs/dbraw/zinc/94/49/26/800944926.db2.gz BRBUESXLLDINAF-LLVKDONJSA-N -1 1 326.418 2.065 20 0 EEADMM CCOCCOCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000922546801 801272875 /nfs/dbraw/zinc/27/28/75/801272875.db2.gz HXVGWPXWEVIGDI-UHFFFAOYSA-N -1 1 333.178 2.365 20 0 EEADMM CC1(N2CCOCC2)CCN(C(=O)Cc2ccc([S-])cc2)CC1 ZINC001183190747 801504060 /nfs/dbraw/zinc/50/40/60/801504060.db2.gz MAUIDJCSQSSVQY-UHFFFAOYSA-N -1 1 334.485 2.231 20 0 EEADMM CN(C(=O)/C=C/C1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078902969 801840687 /nfs/dbraw/zinc/84/06/87/801840687.db2.gz JHQFGTQHOVTIAO-HVHJFMEUSA-N -1 1 343.427 2.207 20 0 EEADMM C/C=C(/C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078908692 802722770 /nfs/dbraw/zinc/72/27/70/802722770.db2.gz HWGHWFLFENUSSF-YLIUPVCFSA-N -1 1 331.416 2.207 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001004766894 802847208 /nfs/dbraw/zinc/84/72/08/802847208.db2.gz IPZVBFLQJUIDBR-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM COc1ccc(Cl)cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000003497787 803453445 /nfs/dbraw/zinc/45/34/45/803453445.db2.gz ABMGHDYASKKMDH-UHFFFAOYSA-N -1 1 347.754 2.462 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3ccc(Br)cc3F)ccnc1-2 ZINC000791168554 809102390 /nfs/dbraw/zinc/10/23/90/809102390.db2.gz YOPUTSSBGRPHTI-UHFFFAOYSA-N -1 1 349.163 2.496 20 0 EEADMM Cc1nc2ccc(Cl)cc2c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)n1 ZINC001170213376 809816676 /nfs/dbraw/zinc/81/66/76/809816676.db2.gz FTMYPXFDXOOJFX-UHFFFAOYSA-N -1 1 343.734 2.364 20 0 EEADMM CN(c1ccccc1)c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)ncn1 ZINC001170227403 809845345 /nfs/dbraw/zinc/84/53/45/809845345.db2.gz LEWBMDPJLBTHDD-UHFFFAOYSA-N -1 1 334.343 2.360 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000805605011 811372006 /nfs/dbraw/zinc/37/20/06/811372006.db2.gz HSJFGBBHDUBFKH-SSDOTTSWSA-N -1 1 328.250 2.008 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1(C)C ZINC000806491422 811879364 /nfs/dbraw/zinc/87/93/64/811879364.db2.gz YXCJEABLWLKQRQ-UONOGXRCSA-N -1 1 331.420 2.009 20 0 EEADMM O=C(N=c1nc[n-]n1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000808499580 812673149 /nfs/dbraw/zinc/67/31/49/812673149.db2.gz DRJHESCGUHOVBJ-UHFFFAOYSA-N -1 1 332.319 2.048 20 0 EEADMM C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827586170 939220075 /nfs/dbraw/zinc/22/00/75/939220075.db2.gz IFQVTZSGJPLPBX-CQSZACIVSA-N -1 1 348.443 2.159 20 0 EEADMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccncc2)n1 ZINC001611425846 971045855 /nfs/dbraw/zinc/04/58/55/971045855.db2.gz IHNMEAGKDPQYQA-ZDUSSCGKSA-N -1 1 328.372 2.127 20 0 EEADMM Brc1cc(CNc2ncncc2-c2nn[n-]n2)cs1 ZINC001573281096 946672822 /nfs/dbraw/zinc/67/28/22/946672822.db2.gz ZEEFHSLPOIDWPF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM COCc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826165367 947520420 /nfs/dbraw/zinc/52/04/20/947520420.db2.gz REYUTGZWGFUAJZ-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COCc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826165367 947520430 /nfs/dbraw/zinc/52/04/30/947520430.db2.gz REYUTGZWGFUAJZ-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccccc2C)c1-c1nnn[n-]1 ZINC000826305760 947878831 /nfs/dbraw/zinc/87/88/31/947878831.db2.gz HUAWRLHVESIJBM-NSHDSACASA-N -1 1 340.387 2.234 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccccc2C)c1-c1nn[n-]n1 ZINC000826305760 947878837 /nfs/dbraw/zinc/87/88/37/947878837.db2.gz HUAWRLHVESIJBM-NSHDSACASA-N -1 1 340.387 2.234 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826344663 948012915 /nfs/dbraw/zinc/01/29/15/948012915.db2.gz OABLJSZUIAYVDB-NSHDSACASA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826344663 948012919 /nfs/dbraw/zinc/01/29/19/948012919.db2.gz OABLJSZUIAYVDB-NSHDSACASA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826347127 948048082 /nfs/dbraw/zinc/04/80/82/948048082.db2.gz FZCBREUOSAMXJL-LLVKDONJSA-N -1 1 340.387 2.016 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826347127 948048091 /nfs/dbraw/zinc/04/80/91/948048091.db2.gz FZCBREUOSAMXJL-LLVKDONJSA-N -1 1 340.387 2.016 20 0 EEADMM Fc1cccc(OCc2nnc(C3CC3)n2C2CC2)c1-c1nnn[n-]1 ZINC000826377712 948169027 /nfs/dbraw/zinc/16/90/27/948169027.db2.gz BZCHXMSNAKBYQW-UHFFFAOYSA-N -1 1 341.350 2.389 20 0 EEADMM Fc1cccc(OCc2nnc(C3CC3)n2C2CC2)c1-c1nn[n-]n1 ZINC000826377712 948169034 /nfs/dbraw/zinc/16/90/34/948169034.db2.gz BZCHXMSNAKBYQW-UHFFFAOYSA-N -1 1 341.350 2.389 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC001570928055 948725342 /nfs/dbraw/zinc/72/53/42/948725342.db2.gz LDRJVCSWAUAKHO-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC001570928055 948725350 /nfs/dbraw/zinc/72/53/50/948725350.db2.gz LDRJVCSWAUAKHO-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(Cl)c1F ZINC001573787604 949184926 /nfs/dbraw/zinc/18/49/26/949184926.db2.gz ZAPDWWBHTZDHPN-UHFFFAOYSA-N -1 1 349.757 2.299 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC001573787604 949184936 /nfs/dbraw/zinc/18/49/36/949184936.db2.gz ZAPDWWBHTZDHPN-UHFFFAOYSA-N -1 1 349.757 2.299 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575857001 949260904 /nfs/dbraw/zinc/26/09/04/949260904.db2.gz MWTQKULRWNGZJI-CXAGYDPISA-N -1 1 335.371 2.113 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575857001 949260924 /nfs/dbraw/zinc/26/09/24/949260924.db2.gz MWTQKULRWNGZJI-CXAGYDPISA-N -1 1 335.371 2.113 20 0 EEADMM O=C([O-])c1ccccc1CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000327999981 951121065 /nfs/dbraw/zinc/12/10/65/951121065.db2.gz UJLMZSMFVBOMAE-MRXNPFEDSA-N -1 1 342.395 2.474 20 0 EEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Br)c2O)C1 ZINC001589274980 953458140 /nfs/dbraw/zinc/45/81/40/953458140.db2.gz OURCIVIILOLBAF-DTWKUNHWSA-N -1 1 342.189 2.338 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001594810975 953820371 /nfs/dbraw/zinc/82/03/71/953820371.db2.gz QKQPNZPSJLFNGQ-KGLIPLIRSA-N -1 1 335.429 2.086 20 0 EEADMM CN(C)c1nc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2[nH]1 ZINC001593714965 954204856 /nfs/dbraw/zinc/20/48/56/954204856.db2.gz APDGUTBYJPAGPL-QGZVFWFLSA-N -1 1 328.372 2.379 20 0 EEADMM O=C([O-])[C@@H]1CCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C1 ZINC001594932890 954827998 /nfs/dbraw/zinc/82/79/98/954827998.db2.gz ODWUJFUGCPAQKB-ZWNOBZJWSA-N -1 1 342.317 2.217 20 0 EEADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccn(-c2ccncc2)n1 ZINC001594962752 955025482 /nfs/dbraw/zinc/02/54/82/955025482.db2.gz ICIUQEAFLLQCEY-KRWDZBQOSA-N -1 1 348.362 2.092 20 0 EEADMM CC(C)C[C@H]1CN(C)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603018071 972074174 /nfs/dbraw/zinc/07/41/74/972074174.db2.gz GCXCAHCJYPYGED-INIZCTEOSA-N -1 1 333.432 2.257 20 0 EEADMM CC(C)C[C@H]1CN(C)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001603018611 972079170 /nfs/dbraw/zinc/07/91/70/972079170.db2.gz VNSNQMJAYRREDP-NRXISQOPSA-N -1 1 325.453 2.002 20 0 EEADMM Cc1cc(Br)ccc1Cc1nc([C@@H](N)CC(=O)[O-])no1 ZINC001594273548 957692356 /nfs/dbraw/zinc/69/23/56/957692356.db2.gz XQYFDYZLBASTNF-JTQLQIEISA-N -1 1 340.177 2.206 20 0 EEADMM COc1ccc(-c2cc(C(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])n[nH]2)cc1 ZINC001594070144 958175769 /nfs/dbraw/zinc/17/57/69/958175769.db2.gz DVFHLOOPNVHTQL-MEBBXXQBSA-N -1 1 329.356 2.163 20 0 EEADMM Cc1nc(C(F)(F)F)c(CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)s1 ZINC001549283216 958267578 /nfs/dbraw/zinc/26/75/78/958267578.db2.gz JETQYDFEJFYQAY-UFBFGSQYSA-N -1 1 336.335 2.003 20 0 EEADMM Cc1ccc(NC(=O)CN[C@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC001594369570 958535683 /nfs/dbraw/zinc/53/56/83/958535683.db2.gz CRASSBYSDVNLAS-MRXNPFEDSA-N -1 1 330.359 2.358 20 0 EEADMM O=C([O-])c1cc(NC(=O)NCCN2CC=CCC2)c(F)cc1F ZINC000392288432 972463263 /nfs/dbraw/zinc/46/32/63/972463263.db2.gz LUJSBGBMCSYDIO-UHFFFAOYSA-N -1 1 325.315 2.046 20 0 EEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ncccc2Cl)c1 ZINC000231768729 960205216 /nfs/dbraw/zinc/20/52/16/960205216.db2.gz YQUCOQBARXYHTF-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])Cc1ccccc1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000392614330 972501588 /nfs/dbraw/zinc/50/15/88/972501588.db2.gz ZRVPFIACTCPETA-UHFFFAOYSA-N -1 1 336.347 2.085 20 0 EEADMM Cc1cccc([C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C(=O)[O-])c1 ZINC001574390374 961170588 /nfs/dbraw/zinc/17/05/88/961170588.db2.gz VZBOWEHJYACADT-LYRGGWFBSA-N -1 1 327.384 2.326 20 0 EEADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001571195326 962298725 /nfs/dbraw/zinc/29/87/25/962298725.db2.gz DXYDACGGGVELNK-UHFFFAOYSA-N -1 1 331.328 2.154 20 0 EEADMM COc1cc(NC(=O)CCc2cc(C)[nH]n2)c(C(=O)[O-])cc1OC ZINC001571207798 962418521 /nfs/dbraw/zinc/41/85/21/962418521.db2.gz DNIWGRSJRYLVRX-UHFFFAOYSA-N -1 1 333.344 2.005 20 0 EEADMM CC(C)[C@H](CNCc1ncc(C(=O)[O-])s1)NC(=O)OC(C)(C)C ZINC000309897433 963377966 /nfs/dbraw/zinc/37/79/66/963377966.db2.gz HBVVNODEUKGAGV-JTQLQIEISA-N -1 1 343.449 2.480 20 0 EEADMM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3csc(C4CC4)n3)C2)cn1 ZINC000873645956 969360763 /nfs/dbraw/zinc/36/07/63/969360763.db2.gz UDSIJPFEGUIUAT-STQMWFEESA-N -1 1 346.456 2.444 20 0 EEADMM O=C([O-])c1ccccc1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000874411343 969389561 /nfs/dbraw/zinc/38/95/61/969389561.db2.gz CWVBIOVZMBHMGF-UHFFFAOYSA-N -1 1 328.372 2.197 20 0 EEADMM CC[C@@H](C(=O)[O-])N(C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001603498714 973462640 /nfs/dbraw/zinc/46/26/40/973462640.db2.gz VTYTVBWWDWQTEK-NSHDSACASA-N -1 1 326.397 2.062 20 0 EEADMM CN(C)[C@H](CNC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001604046835 974580473 /nfs/dbraw/zinc/58/04/73/974580473.db2.gz UFTDRXPDODQPHV-GFCCVEGCSA-N -1 1 347.337 2.082 20 0 EEADMM CC(C)[C@H](NC(=O)CN1CCC[C@H](c2ccccc2)CC1)C(=O)[O-] ZINC001591867555 976182063 /nfs/dbraw/zinc/18/20/63/976182063.db2.gz QTHSNBFGXJXLMM-WMZOPIPTSA-N -1 1 332.444 2.482 20 0 EEADMM CC(C)c1[nH]c(CN2CCC(NC(=O)C3CC3)CC2)cc1C(=O)[O-] ZINC001591912670 976349214 /nfs/dbraw/zinc/34/92/14/976349214.db2.gz QDMOQENAVKFDSD-UHFFFAOYSA-N -1 1 333.432 2.327 20 0 EEADMM CC(C)c1[nH]c(CN2CCC(Cn3cnnc3)CC2)cc1C(=O)[O-] ZINC001591913161 976356504 /nfs/dbraw/zinc/35/65/04/976356504.db2.gz YSOOJCBQNUOLJC-UHFFFAOYSA-N -1 1 331.420 2.340 20 0 EEADMM CC(C)c1ccc(NC(=O)CN2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001591963151 976552798 /nfs/dbraw/zinc/55/27/98/976552798.db2.gz WWRJDKDLFSPRLL-HNNXBMFYSA-N -1 1 347.459 2.229 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC001591972600 976573275 /nfs/dbraw/zinc/57/32/75/976573275.db2.gz OWCTZZFXWQSTBI-IBGZPJMESA-N -1 1 348.443 2.148 20 0 EEADMM C[C@H](C1CC1)N(C(=O)CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CC1 ZINC001592178438 977083240 /nfs/dbraw/zinc/08/32/40/977083240.db2.gz LYTVFYBGNUDFMQ-MEBBXXQBSA-N -1 1 348.365 2.115 20 0 EEADMM C[C@@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592258357 977495036 /nfs/dbraw/zinc/49/50/36/977495036.db2.gz CYGVIIKSSQPIFT-ABAIWWIYSA-N -1 1 349.818 2.444 20 0 EEADMM CCOc1ccc2nc(NC(=O)CNC(C)(C)C(=O)[O-])sc2c1 ZINC000830094645 979013337 /nfs/dbraw/zinc/01/33/37/979013337.db2.gz TVGYXKNHDNRASC-UHFFFAOYSA-N -1 1 337.401 2.086 20 0 EEADMM Cc1[nH]nc(S(=O)(=O)Nc2cccc(C)c2Cl)c1C(=O)[O-] ZINC000832970898 979062461 /nfs/dbraw/zinc/06/24/61/979062461.db2.gz LXFOHMVSBOZNHZ-UHFFFAOYSA-N -1 1 329.765 2.179 20 0 EEADMM CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC000901430357 980279067 /nfs/dbraw/zinc/27/90/67/980279067.db2.gz SZAJDLWYCLICGY-CYBMUJFWSA-N -1 1 333.432 2.154 20 0 EEADMM COc1cc(CN2CC[C@](OC)(C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC000901542702 980370924 /nfs/dbraw/zinc/37/09/24/980370924.db2.gz RRKDRRQXRUZIKB-CQSZACIVSA-N -1 1 333.306 2.390 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000901890086 980604466 /nfs/dbraw/zinc/60/44/66/980604466.db2.gz HGNPRIVMOUHONQ-GFCCVEGCSA-N -1 1 335.404 2.261 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000902197813 980778618 /nfs/dbraw/zinc/77/86/18/980778618.db2.gz WHOUYALKSGIIGX-OAHLLOKOSA-N -1 1 328.368 2.177 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCOCC2(CCOCC2)C1 ZINC000903594619 980978765 /nfs/dbraw/zinc/97/87/65/980978765.db2.gz 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ZINC001596415759 984026693 /nfs/dbraw/zinc/02/66/93/984026693.db2.gz OYLZHACGAWHSDE-GFCCVEGCSA-N -1 1 335.404 2.388 20 0 EEADMM CCN1[C@H](C)CN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C[C@@H]1C ZINC001596450281 984152078 /nfs/dbraw/zinc/15/20/78/984152078.db2.gz WULPVKVAZPLZLE-UHIISALHSA-N -1 1 335.448 2.315 20 0 EEADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccnc2)CCN1Cc1ccccc1 ZINC001594500691 985679474 /nfs/dbraw/zinc/67/94/74/985679474.db2.gz JJGQSZXRYRGDEO-QAPCUYQASA-N -1 1 325.412 2.414 20 0 EEADMM Cc1[nH]nc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1C ZINC001599968824 985965963 /nfs/dbraw/zinc/96/59/63/985965963.db2.gz SEXPJDOLLOQLFZ-GFCCVEGCSA-N -1 1 328.416 2.435 20 0 EEADMM Cc1c(Br)cccc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001599972168 986025248 /nfs/dbraw/zinc/02/52/48/986025248.db2.gz FRGUXPQHVGWMGR-CQSZACIVSA-N -1 1 342.233 2.415 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Br)cs1 ZINC001594526053 986043757 /nfs/dbraw/zinc/04/37/57/986043757.db2.gz QYFXIVQYYQGXKW-SNVBAGLBSA-N -1 1 347.278 2.491 20 0 EEADMM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(CC)[C@@H](C)C1 ZINC001597016425 986380357 /nfs/dbraw/zinc/38/03/57/986380357.db2.gz ASZHSZADVQSHMK-LBPRGKRZSA-N -1 1 335.404 2.341 20 0 EEADMM CCOc1cncc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001597188765 987063379 /nfs/dbraw/zinc/06/33/79/987063379.db2.gz CAHGSBZVJPTLBF-INIZCTEOSA-N -1 1 332.356 2.110 20 0 EEADMM CCC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cn2C)cc1 ZINC001594721006 987201997 /nfs/dbraw/zinc/20/19/97/987201997.db2.gz HFODIZCMRHCCCV-UHFFFAOYSA-N -1 1 336.369 2.117 20 0 EEADMM CSc1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)ccn1 ZINC001599809968 988317843 /nfs/dbraw/zinc/31/78/43/988317843.db2.gz XRCOSMTZDHMRJX-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM CCc1ccc2c(c1)CN([C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC001597569439 988334708 /nfs/dbraw/zinc/33/47/08/988334708.db2.gz VNESXNDVHCOWAC-AWEZNQCLSA-N -1 1 344.455 2.319 20 0 EEADMM CSc1ccccc1C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599824301 988570413 /nfs/dbraw/zinc/57/04/13/988570413.db2.gz WFIAIRUYJTZXGC-JZLYGMAVSA-N -1 1 335.425 2.406 20 0 EEADMM CCn1cc([C@H](C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)cn1 ZINC001597882593 989713586 /nfs/dbraw/zinc/71/35/86/989713586.db2.gz RMMBJGGPRHMIOA-LBPRGKRZSA-N -1 1 330.388 2.199 20 0 EEADMM CC(C)(C)c1nc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n[nH]1 ZINC001590538875 990162924 /nfs/dbraw/zinc/16/29/24/990162924.db2.gz SNJVTDPQNQWUGG-UHFFFAOYSA-N -1 1 349.366 2.190 20 0 EEADMM CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598077950 990385415 /nfs/dbraw/zinc/38/54/15/990385415.db2.gz VULXXJLQMMGCNM-LLVKDONJSA-N -1 1 327.262 2.326 20 0 EEADMM COc1cccc([C@H](NC(=O)c2[nH]nc3c2CCCCC3)C(=O)[O-])c1 ZINC001599686885 991002170 /nfs/dbraw/zinc/00/21/70/991002170.db2.gz PBZCSONHXGOFDI-HNNXBMFYSA-N -1 1 343.383 2.243 20 0 EEADMM COc1cccc2sc(NC(=O)CN3CC[C@@H](C(=O)[O-])[C@@H]3C)nc21 ZINC001599693111 991103399 /nfs/dbraw/zinc/10/33/99/991103399.db2.gz MNKMRUWSMLFWAJ-VHSXEESVSA-N -1 1 349.412 2.038 20 0 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CZMNFCFWABDVLQ-KRWDZBQOSA-N -1 1 342.370 2.409 20 0 EEADMM Cc1csc(SCc2ccccc2C(=O)NCc2nn[n-]n2)n1 ZINC000732157764 577152446 /nfs/dbraw/zinc/15/24/46/577152446.db2.gz GEAANVKUHUGXHD-UHFFFAOYSA-N -1 1 346.441 2.187 20 0 EEADMM Cc1cc2[nH]c(C(=O)N3CCSC[C@H]3c3nn[n-]n3)cc2c(C)c1 ZINC000773154625 577319550 /nfs/dbraw/zinc/31/95/50/577319550.db2.gz SYISPVOGSQTOLK-AWEZNQCLSA-N -1 1 342.428 2.228 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)C12CCCC2 ZINC000774014658 577378237 /nfs/dbraw/zinc/37/82/37/577378237.db2.gz RXLALXSBZQEXLV-CHWSQXEVSA-N -1 1 346.456 2.486 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774960288 577424701 /nfs/dbraw/zinc/42/47/01/577424701.db2.gz IFBWBYDOLMFEMH-UHFFFAOYSA-N -1 1 332.322 2.327 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccnn1C1CCCC1)C(F)(F)F ZINC000774972670 577425090 /nfs/dbraw/zinc/42/50/90/577425090.db2.gz NPDDJCMVYVTDMZ-UHFFFAOYSA-N -1 1 333.310 2.224 20 0 EEADMM CC(C)c1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc(=O)[nH]1 ZINC000775052326 577427984 /nfs/dbraw/zinc/42/79/84/577427984.db2.gz BDRPBBIYMVEEIT-UHFFFAOYSA-N -1 1 334.294 2.136 20 0 EEADMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccnc2Cl)[n-]1 ZINC000776433686 577459830 /nfs/dbraw/zinc/45/98/30/577459830.db2.gz IXBSTTUJNNNTEW-SSDOTTSWSA-N -1 1 340.792 2.364 20 0 EEADMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2cccnc2Cl)n1 ZINC000776433686 577459831 /nfs/dbraw/zinc/45/98/31/577459831.db2.gz IXBSTTUJNNNTEW-SSDOTTSWSA-N -1 1 340.792 2.364 20 0 EEADMM CC(=CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(F)cc1 ZINC000776565032 577462465 /nfs/dbraw/zinc/46/24/65/577462465.db2.gz QTIDOOVWJJDFKN-CHOZFAJLSA-N -1 1 333.392 2.059 20 0 EEADMM CC(C)c1ccc(OCC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000776565438 577462499 /nfs/dbraw/zinc/46/24/99/577462499.db2.gz SNBFYPCGKZVMMT-AWEZNQCLSA-N -1 1 347.444 2.019 20 0 EEADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)nc1=O ZINC000765490182 577501940 /nfs/dbraw/zinc/50/19/40/577501940.db2.gz XNXWTSSRBRXTHZ-GHMZBOCLSA-N -1 1 342.182 2.262 20 0 EEADMM O=S(=O)(Cc1c(F)cccc1F)[N-][C@@H]1CCCCC12OCCO2 ZINC000766841719 577525707 /nfs/dbraw/zinc/52/57/07/577525707.db2.gz WKGLLGFCZWHHDD-CQSZACIVSA-N -1 1 347.383 2.070 20 0 EEADMM Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000768284155 577553173 /nfs/dbraw/zinc/55/31/73/577553173.db2.gz DTMXZIHIUJFJQT-UHFFFAOYSA-N -1 1 334.712 2.275 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc(O)cc(O)c1 ZINC000768590194 577559045 /nfs/dbraw/zinc/55/90/45/577559045.db2.gz MCJPDLWRWQHXCL-UHFFFAOYSA-N -1 1 328.276 2.267 20 0 EEADMM O=C(COC(=O)c1c[nH]c2ccc(F)cc12)[N-]C(=O)c1ccccc1 ZINC000764165276 577732194 /nfs/dbraw/zinc/73/21/94/577732194.db2.gz JTDUADHJFZPOPU-UHFFFAOYSA-N -1 1 340.310 2.420 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C23CCC(CC2)C3)cc1 ZINC000752122267 577766315 /nfs/dbraw/zinc/76/63/15/577766315.db2.gz JEZGNXWQNRUKEF-UHFFFAOYSA-N -1 1 331.368 2.075 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(F)cc2)co1 ZINC000756400406 577843440 /nfs/dbraw/zinc/84/34/40/577843440.db2.gz IHNNOTGCDPXLON-VIFPVBQESA-N -1 1 327.333 2.245 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc3ncccc3c2)co1 ZINC000756541988 577846085 /nfs/dbraw/zinc/84/60/85/577846085.db2.gz GJSFOIAVTAJDQA-UHFFFAOYSA-N -1 1 346.364 2.093 20 0 EEADMM C[C@@](O)(CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(F)(F)F ZINC000744647473 577901001 /nfs/dbraw/zinc/90/10/01/577901001.db2.gz AEOVKEKZGHNOIB-CQSZACIVSA-N -1 1 346.257 2.245 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CNC(=O)c2ccoc2C)c1 ZINC000744820128 577903764 /nfs/dbraw/zinc/90/37/64/577903764.db2.gz RLIMXGXZJZDDQS-UHFFFAOYSA-N -1 1 345.351 2.012 20 0 EEADMM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc21 ZINC000747857679 577951540 /nfs/dbraw/zinc/95/15/40/577951540.db2.gz RZZCKIBBQXKHTI-UHFFFAOYSA-N -1 1 346.408 2.346 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](SC)C2)o1 ZINC000748067554 577954462 /nfs/dbraw/zinc/95/44/62/577954462.db2.gz PGLZKZUHEOSGAG-VHSXEESVSA-N -1 1 333.431 2.019 20 0 EEADMM Cc1nn(C)c2nc(C)c(CC(=O)[N-]O[C@@H]3CCCCO3)c(C)c12 ZINC000749616209 577979102 /nfs/dbraw/zinc/97/91/02/577979102.db2.gz BBGBMFVKKYRESN-OAHLLOKOSA-N -1 1 332.404 2.010 20 0 EEADMM Cc1nc(CN2CCCN(Cc3ccoc3C(=O)[O-])CC2)cs1 ZINC000738857146 578029043 /nfs/dbraw/zinc/02/90/43/578029043.db2.gz IVTPSFGBDBWOPH-UHFFFAOYSA-N -1 1 335.429 2.451 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000736118439 578181773 /nfs/dbraw/zinc/18/17/73/578181773.db2.gz JVBCCBWTTJXMPF-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000736118439 578181774 /nfs/dbraw/zinc/18/17/74/578181774.db2.gz JVBCCBWTTJXMPF-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@@H](c2ccco2)C1 ZINC000736213993 578187048 /nfs/dbraw/zinc/18/70/48/578187048.db2.gz HITWFVWJFFMCTG-XJKSGUPXSA-N -1 1 342.395 2.472 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000736326831 578196170 /nfs/dbraw/zinc/19/61/70/578196170.db2.gz XLNBNGZCDXEPOA-UHFFFAOYSA-N -1 1 345.443 2.082 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1C[C@H](c2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000736412091 578202446 /nfs/dbraw/zinc/20/24/46/578202446.db2.gz LKEWPOVCOWWAFK-OIISXLGYSA-N -1 1 332.444 2.480 20 0 EEADMM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN(C)C ZINC000736724154 578220287 /nfs/dbraw/zinc/22/02/87/578220287.db2.gz JUCQQKHKTULYIJ-GFCCVEGCSA-N -1 1 331.372 2.024 20 0 EEADMM CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736752755 578222025 /nfs/dbraw/zinc/22/20/25/578222025.db2.gz AWLGYWCEYVMCSO-UHFFFAOYSA-N -1 1 327.319 2.500 20 0 EEADMM CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736752755 578222026 /nfs/dbraw/zinc/22/20/26/578222026.db2.gz AWLGYWCEYVMCSO-UHFFFAOYSA-N -1 1 327.319 2.500 20 0 EEADMM COC(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736947978 578230551 /nfs/dbraw/zinc/23/05/51/578230551.db2.gz RCPLAFYYUKINKM-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM COC(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736947978 578230552 /nfs/dbraw/zinc/23/05/52/578230552.db2.gz RCPLAFYYUKINKM-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM CCC[C@@](C)(NCC(=O)N(C)[C@@H](C)c1ccccc1OC)C(=O)[O-] ZINC000736962277 578231449 /nfs/dbraw/zinc/23/14/49/578231449.db2.gz ZPRTZQTYSHEJAR-SCLBCKFNSA-N -1 1 336.432 2.448 20 0 EEADMM CON(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737023847 578233589 /nfs/dbraw/zinc/23/35/89/578233589.db2.gz PIIPCKVSTNZGIN-UHFFFAOYSA-N -1 1 343.318 2.432 20 0 EEADMM CON(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737023847 578233590 /nfs/dbraw/zinc/23/35/90/578233590.db2.gz PIIPCKVSTNZGIN-UHFFFAOYSA-N -1 1 343.318 2.432 20 0 EEADMM COc1cc(C)c(CN(C)c2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000737040800 578234520 /nfs/dbraw/zinc/23/45/20/578234520.db2.gz QKLGURQDBGHECC-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cc(C)c(CN(C)c2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000737040800 578234521 /nfs/dbraw/zinc/23/45/21/578234521.db2.gz QKLGURQDBGHECC-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737131929 578239940 /nfs/dbraw/zinc/23/99/40/578239940.db2.gz IYXZETKMUOKCKB-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737131929 578239941 /nfs/dbraw/zinc/23/99/41/578239941.db2.gz IYXZETKMUOKCKB-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000737165137 578241597 /nfs/dbraw/zinc/24/15/97/578241597.db2.gz OPVJDZHHHVBSNY-HUUCEWRRSA-N -1 1 334.416 2.459 20 0 EEADMM CCS[C@H]1CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000737232075 578244958 /nfs/dbraw/zinc/24/49/58/578244958.db2.gz XGOQEXDYFXEHNL-KBPBESRZSA-N -1 1 330.494 2.210 20 0 EEADMM CCn1nc(C)c(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1C ZINC000737309920 578249636 /nfs/dbraw/zinc/24/96/36/578249636.db2.gz NISITJXMKOQVHS-UHFFFAOYSA-N -1 1 341.389 2.229 20 0 EEADMM CN(C)[C@@H](CNC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000818429197 597005292 /nfs/dbraw/zinc/00/52/92/597005292.db2.gz VPAJJQNXIQQRBY-ZDUSSCGKSA-N -1 1 327.812 2.059 20 0 EEADMM O=C([O-])[C@@H]1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000819281458 597527615 /nfs/dbraw/zinc/52/76/15/597527615.db2.gz UEULPMSLVKQWJG-CQSZACIVSA-N -1 1 328.368 2.219 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1nccnc1-c1nnn[n-]1 ZINC000820307891 607329186 /nfs/dbraw/zinc/32/91/86/607329186.db2.gz QRFQNVSBZBPNEV-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1nccnc1-c1nn[n-]n1 ZINC000820307891 607329187 /nfs/dbraw/zinc/32/91/87/607329187.db2.gz QRFQNVSBZBPNEV-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM CCc1nsc(N2CCCN(Cc3ccoc3C(=O)[O-])CC2)n1 ZINC000830350233 600862450 /nfs/dbraw/zinc/86/24/50/600862450.db2.gz AEKLXPBNTXVIDJ-UHFFFAOYSA-N -1 1 336.417 2.104 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CNC1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC000828720337 600994543 /nfs/dbraw/zinc/99/45/43/600994543.db2.gz WHBGEHDPGNZIBY-LRDDRELGSA-N -1 1 336.407 2.410 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832891751 601031272 /nfs/dbraw/zinc/03/12/72/601031272.db2.gz YKCXWPWMKACLKD-IBGZPJMESA-N -1 1 345.443 2.377 20 0 EEADMM CSc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832790542 601123526 /nfs/dbraw/zinc/12/35/26/601123526.db2.gz KXPUDBPYKPIKHL-LBPRGKRZSA-N -1 1 337.445 2.421 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@]2(CCCOC2)C1 ZINC000833105151 601355638 /nfs/dbraw/zinc/35/56/38/601355638.db2.gz IVUOSGLAJOGYLQ-SFHVURJKSA-N -1 1 332.400 2.216 20 0 EEADMM Cc1ccc2nc(NC(=O)CN3C[C@H](C)[C@@H](C(=O)[O-])C3)sc2c1 ZINC000832960496 601530267 /nfs/dbraw/zinc/53/02/67/601530267.db2.gz QSESYSIUBCTRQR-QWRGUYRKSA-N -1 1 333.413 2.196 20 0 EEADMM O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486632 607531484 /nfs/dbraw/zinc/53/14/84/607531484.db2.gz KDMKTZXRJMEKCW-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM O=S(=O)(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486632 607531486 /nfs/dbraw/zinc/53/14/86/607531486.db2.gz KDMKTZXRJMEKCW-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000829119538 601918332 /nfs/dbraw/zinc/91/83/32/601918332.db2.gz RWKFSHCIYCCQJI-BFHYXJOUSA-N -1 1 328.478 2.058 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC000827379622 602024849 /nfs/dbraw/zinc/02/48/49/602024849.db2.gz ISHWLSNOMJPAAQ-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824193177 607583400 /nfs/dbraw/zinc/58/34/00/607583400.db2.gz UKRLCALIQBKCNK-SECBINFHSA-N -1 1 343.840 2.185 20 0 EEADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824193177 607583402 /nfs/dbraw/zinc/58/34/02/607583402.db2.gz UKRLCALIQBKCNK-SECBINFHSA-N -1 1 343.840 2.185 20 0 EEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000824135474 603969210 /nfs/dbraw/zinc/96/92/10/603969210.db2.gz FZBUMSDFUDPVTH-ZIAGYGMSSA-N -1 1 341.839 2.351 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000393068124 604604912 /nfs/dbraw/zinc/60/49/12/604604912.db2.gz UTKAFNRWXRDWLS-RHSMWYFYSA-N -1 1 345.443 2.196 20 0 EEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCCCC(=O)[O-])CC1 ZINC000820199731 604932165 /nfs/dbraw/zinc/93/21/65/604932165.db2.gz FKVTUSWZKALPDS-AWEZNQCLSA-N -1 1 348.447 2.161 20 0 EEADMM CCCCCC[C@]1(C)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000829356376 604981701 /nfs/dbraw/zinc/98/17/01/604981701.db2.gz CCXRWIRQIPMCTH-GUYCJALGSA-N -1 1 339.436 2.164 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1cccc(F)c1 ZINC000833621873 605155780 /nfs/dbraw/zinc/15/57/80/605155780.db2.gz OLZFNOSCPJFJAS-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM C[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)CCN1CCC(=O)[O-] ZINC000833617773 605253313 /nfs/dbraw/zinc/25/33/13/605253313.db2.gz GWENSDPFGYTBOT-MEMKZHQFSA-N -1 1 330.428 2.487 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833507511 605256087 /nfs/dbraw/zinc/25/60/87/605256087.db2.gz RIYGCYLREIYJPB-OAHLLOKOSA-N -1 1 348.443 2.024 20 0 EEADMM C[C@@H]1CN(C(=O)C2C3CC4CC(C3)CC2C4)CCN1CCC(=O)[O-] ZINC000833618136 605276841 /nfs/dbraw/zinc/27/68/41/605276841.db2.gz LASDUTSQHJZXLO-XKMJEZSVSA-N -1 1 334.460 2.066 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2CCCCCCC2)n1 ZINC000822613166 606157424 /nfs/dbraw/zinc/15/74/24/606157424.db2.gz BRNNBINYYSAFNM-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2CCCCCCC2)n1 ZINC000822613166 606157426 /nfs/dbraw/zinc/15/74/26/606157426.db2.gz BRNNBINYYSAFNM-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM O=C(OCc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440481 606178316 /nfs/dbraw/zinc/17/83/16/606178316.db2.gz VOEXGQYFDYRQKT-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(OCc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440481 606178318 /nfs/dbraw/zinc/17/83/18/606178318.db2.gz VOEXGQYFDYRQKT-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000822530492 606238422 /nfs/dbraw/zinc/23/84/22/606238422.db2.gz DLJCKTFVNVEJSV-UHFFFAOYSA-N -1 1 348.819 2.491 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000822530492 606238423 /nfs/dbraw/zinc/23/84/23/606238423.db2.gz DLJCKTFVNVEJSV-UHFFFAOYSA-N -1 1 348.819 2.491 20 0 EEADMM O=C(CCc1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822979126 606293601 /nfs/dbraw/zinc/29/36/01/606293601.db2.gz XKIIUXAVTSIESR-UHFFFAOYSA-N -1 1 327.319 2.283 20 0 EEADMM c1[nH]nc2cc(Oc3c4ccccc4nnc3-c3nn[n-]n3)ccc12 ZINC000823796432 606439399 /nfs/dbraw/zinc/43/93/99/606439399.db2.gz AINVYEQKFSCNPN-UHFFFAOYSA-N -1 1 330.311 2.479 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000823483729 606522083 /nfs/dbraw/zinc/52/20/83/606522083.db2.gz LFUKBAHMZWACKP-GFCCVEGCSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000823483729 606522084 /nfs/dbraw/zinc/52/20/84/606522084.db2.gz LFUKBAHMZWACKP-GFCCVEGCSA-N -1 1 341.396 2.142 20 0 EEADMM Clc1ccc(N2CCO[C@@H](c3ccco3)C2)nc1-c1nnn[n-]1 ZINC000822578048 606633611 /nfs/dbraw/zinc/63/36/11/606633611.db2.gz AXCRFTBCBRNHGL-LLVKDONJSA-N -1 1 332.751 2.086 20 0 EEADMM Clc1ccc(N2CCO[C@@H](c3ccco3)C2)nc1-c1nn[n-]n1 ZINC000822578048 606633612 /nfs/dbraw/zinc/63/36/12/606633612.db2.gz AXCRFTBCBRNHGL-LLVKDONJSA-N -1 1 332.751 2.086 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823289252 606698991 /nfs/dbraw/zinc/69/89/91/606698991.db2.gz HCLOVVKISIIKSJ-ZIAGYGMSSA-N -1 1 335.367 2.390 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820054907 606749041 /nfs/dbraw/zinc/74/90/41/606749041.db2.gz DOILOENSSFNBNE-LBPRGKRZSA-N -1 1 333.392 2.146 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820054907 606749042 /nfs/dbraw/zinc/74/90/42/606749042.db2.gz DOILOENSSFNBNE-LBPRGKRZSA-N -1 1 333.392 2.146 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821241896 606763641 /nfs/dbraw/zinc/76/36/41/606763641.db2.gz PYFDQZGWPKWDHT-UHFFFAOYSA-N -1 1 347.375 2.221 20 0 EEADMM CC(C)c1csc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820197863 606942846 /nfs/dbraw/zinc/94/28/46/606942846.db2.gz ODUFQHBKMPZRTB-UHFFFAOYSA-N -1 1 334.430 2.438 20 0 EEADMM CC(C)c1csc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820197863 606942849 /nfs/dbraw/zinc/94/28/49/606942849.db2.gz ODUFQHBKMPZRTB-UHFFFAOYSA-N -1 1 334.430 2.438 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccn(C2CCCC2)n1 ZINC000823294894 606968801 /nfs/dbraw/zinc/96/88/01/606968801.db2.gz WOKFXDTUVKVSNL-UHFFFAOYSA-N -1 1 339.359 2.136 20 0 EEADMM O[C@]12CCCC[C@@H]1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823696988 607032669 /nfs/dbraw/zinc/03/26/69/607032669.db2.gz HXNURDWPQULLHB-BMIGLBTASA-N -1 1 334.811 2.047 20 0 EEADMM O[C@]12CCCC[C@@H]1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823696988 607032671 /nfs/dbraw/zinc/03/26/71/607032671.db2.gz HXNURDWPQULLHB-BMIGLBTASA-N -1 1 334.811 2.047 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1SCCc2ccccc21 ZINC000823380281 607110769 /nfs/dbraw/zinc/11/07/69/607110769.db2.gz UTCUNXXVLXIORT-LLVKDONJSA-N -1 1 344.425 2.292 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1SCCc2ccccc21 ZINC000823380281 607110770 /nfs/dbraw/zinc/11/07/70/607110770.db2.gz UTCUNXXVLXIORT-LLVKDONJSA-N -1 1 344.425 2.292 20 0 EEADMM Fc1cccc(OCc2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826378200 607865626 /nfs/dbraw/zinc/86/56/26/607865626.db2.gz ZLEGZJRMMZMBBF-UHFFFAOYSA-N -1 1 328.303 2.356 20 0 EEADMM Fc1cccc(OCc2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826378200 607865627 /nfs/dbraw/zinc/86/56/27/607865627.db2.gz ZLEGZJRMMZMBBF-UHFFFAOYSA-N -1 1 328.303 2.356 20 0 EEADMM OC[C@@H](CC(F)(F)F)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507143 607935476 /nfs/dbraw/zinc/93/54/76/607935476.db2.gz JHRHINYKQDRJPR-MRVPVSSYSA-N -1 1 338.293 2.140 20 0 EEADMM OC[C@@H](CC(F)(F)F)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507143 607935477 /nfs/dbraw/zinc/93/54/77/607935477.db2.gz JHRHINYKQDRJPR-MRVPVSSYSA-N -1 1 338.293 2.140 20 0 EEADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1ccc(F)cc1[O-] ZINC000826401871 607996201 /nfs/dbraw/zinc/99/62/01/607996201.db2.gz IOTBVLIUZLMZBY-YVMONPNESA-N -1 1 325.303 2.363 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825148733 607997760 /nfs/dbraw/zinc/99/77/60/607997760.db2.gz SSWHXDGMWNEALW-ZDUSSCGKSA-N -1 1 338.371 2.402 20 0 EEADMM Cc1ccc(CSCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826288401 608392076 /nfs/dbraw/zinc/39/20/76/608392076.db2.gz FRAJYCVGDHLETI-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM Cc1ccc(CSCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826288401 608392077 /nfs/dbraw/zinc/39/20/77/608392077.db2.gz FRAJYCVGDHLETI-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377928 608394028 /nfs/dbraw/zinc/39/40/28/608394028.db2.gz MZFOBKIXWNFXLF-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377928 608394030 /nfs/dbraw/zinc/39/40/30/608394030.db2.gz MZFOBKIXWNFXLF-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1N1CCCC1 ZINC000826372946 608402310 /nfs/dbraw/zinc/40/23/10/608402310.db2.gz SVMIVCILJIKREH-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM Fc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1N1CCCC1 ZINC000826372946 608402311 /nfs/dbraw/zinc/40/23/11/608402311.db2.gz SVMIVCILJIKREH-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(-n2cccn2)cc1 ZINC000824650876 608425807 /nfs/dbraw/zinc/42/58/07/608425807.db2.gz VKYGEKDYOFPNPR-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(-n2cccn2)cc1 ZINC000824650876 608425808 /nfs/dbraw/zinc/42/58/08/608425808.db2.gz VKYGEKDYOFPNPR-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM Cc1ccc([C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC000826286091 608710643 /nfs/dbraw/zinc/71/06/43/608710643.db2.gz RWLXJDLJKCUHPK-GFCCVEGCSA-N -1 1 331.401 2.403 20 0 EEADMM Cc1nc(SCc2cc(F)ccc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327737 609182379 /nfs/dbraw/zinc/18/23/79/609182379.db2.gz SNSMYORJHWGHOA-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM Cn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1C1CCC1 ZINC000826356263 609391061 /nfs/dbraw/zinc/39/10/61/609391061.db2.gz IYLUFOSCTMHMGB-UHFFFAOYSA-N -1 1 348.823 2.462 20 0 EEADMM Cn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1C1CCC1 ZINC000826356263 609391063 /nfs/dbraw/zinc/39/10/63/609391063.db2.gz IYLUFOSCTMHMGB-UHFFFAOYSA-N -1 1 348.823 2.462 20 0 EEADMM CC(C)[C@H]1C[C@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000824213989 609400592 /nfs/dbraw/zinc/40/05/92/609400592.db2.gz DMXSBHJZDDRKRY-IUODEOHRSA-N -1 1 345.403 2.146 20 0 EEADMM CC(C)[C@H]1C[C@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000824213989 609400593 /nfs/dbraw/zinc/40/05/93/609400593.db2.gz DMXSBHJZDDRKRY-IUODEOHRSA-N -1 1 345.403 2.146 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1cc(F)ccc1F)c1ncccc1[O-] ZINC001038195466 676100772 /nfs/dbraw/zinc/10/07/72/676100772.db2.gz ULMTZDPZETVCSI-CYBMUJFWSA-N -1 1 333.338 2.070 20 0 EEADMM C[C@H]1CN(C(=O)CCC2CC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020712874 675436382 /nfs/dbraw/zinc/43/63/82/675436382.db2.gz APOPVCIOFMUQHF-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM CCN(Cc1ccccc1Cl)C(=O)Cc1sc(N)nc1[O-] ZINC000079488421 675437221 /nfs/dbraw/zinc/43/72/21/675437221.db2.gz MSCJBPSBFKXKGW-LLVKDONJSA-N -1 1 325.821 2.035 20 0 EEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2sc(N)nc2[O-])C1 ZINC000080665350 675465997 /nfs/dbraw/zinc/46/59/97/675465997.db2.gz SPFMFZMXVCPIDC-OASPWFOLSA-N -1 1 335.404 2.082 20 0 EEADMM CCC(CC)C(=O)N1CCC(Nc2cc(=O)[n-]c(COC)n2)CC1 ZINC000891904677 676897870 /nfs/dbraw/zinc/89/78/70/676897870.db2.gz YMEUOGVSWDECQF-UHFFFAOYSA-N -1 1 336.436 2.168 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000176254092 677807350 /nfs/dbraw/zinc/80/73/50/677807350.db2.gz GDIXRYJRJORYCG-ZDUSSCGKSA-N -1 1 340.427 2.330 20 0 EEADMM Cc1ccc(C(=O)NNC(=O)c2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000160176021 679439216 /nfs/dbraw/zinc/43/92/16/679439216.db2.gz INYPZCBTLRKWRF-UHFFFAOYSA-N -1 1 329.743 2.301 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](C)C2)c1[O-] ZINC000947205283 679795063 /nfs/dbraw/zinc/79/50/63/679795063.db2.gz OJUQJCKELGILBL-XHDPSFHLSA-N -1 1 346.406 2.346 20 0 EEADMM Cc1nc(C)c(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001024406774 679891418 /nfs/dbraw/zinc/89/14/18/679891418.db2.gz FPZOJQNJKJVLRY-CQSZACIVSA-N -1 1 344.415 2.177 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)N[N-]C(=O)c1cc(-c2ccco2)[nH]n1 ZINC000028424886 681421292 /nfs/dbraw/zinc/42/12/92/681421292.db2.gz FKIKVUBBISZUPW-UHFFFAOYSA-N -1 1 344.758 2.327 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC000983059430 681725321 /nfs/dbraw/zinc/72/53/21/681725321.db2.gz MWGQDRWBOCXDQK-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866880118 682060275 /nfs/dbraw/zinc/06/02/75/682060275.db2.gz KJMYJJTWLKARES-SECBINFHSA-N -1 1 327.233 2.074 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973729663 683196986 /nfs/dbraw/zinc/19/69/86/683196986.db2.gz YZUYCGLRSFJUAA-FDMWZVBTSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(CC1CC1)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973730015 683197656 /nfs/dbraw/zinc/19/76/56/683197656.db2.gz ZFGJIXDGHYWPBE-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937454747 683636862 /nfs/dbraw/zinc/63/68/62/683636862.db2.gz GXHKDVFKTABXAG-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])CC1(NS(=O)(=O)c2c(Cl)ccc(F)c2F)CCC1 ZINC000899556091 693790484 /nfs/dbraw/zinc/79/04/84/693790484.db2.gz GLLVXFAGHJVSQR-UHFFFAOYSA-N -1 1 339.747 2.294 20 0 EEADMM COc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)s1 ZINC000915253263 684066795 /nfs/dbraw/zinc/06/67/95/684066795.db2.gz XLRXZKSISWMOQA-MRVPVSSYSA-N -1 1 326.390 2.256 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974056552 684274710 /nfs/dbraw/zinc/27/47/10/684274710.db2.gz SLWPPGKZJLHEGL-TUVASFSCSA-N -1 1 345.443 2.381 20 0 EEADMM COCc1nc(NCC(=O)N2CCCCc3ccccc32)cc(=O)[n-]1 ZINC000896194433 684900445 /nfs/dbraw/zinc/90/04/45/684900445.db2.gz AIBKFCZKKUNYQB-UHFFFAOYSA-N -1 1 342.399 2.110 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984685956 685016037 /nfs/dbraw/zinc/01/60/37/685016037.db2.gz WWZKSRWOPSUZRM-KBPBESRZSA-N -1 1 333.432 2.142 20 0 EEADMM CCC1(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001059516098 686284552 /nfs/dbraw/zinc/28/45/52/686284552.db2.gz FIWYBXWVFWUWBY-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CC[C@H](CC1CCCC1)C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990975669 694140837 /nfs/dbraw/zinc/14/08/37/694140837.db2.gz ABTLYBSAOBWSAQ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM C/C=C(\C)C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986966235 689143405 /nfs/dbraw/zinc/14/34/05/689143405.db2.gz GBNDSOIXXXLRNZ-MIJQFGFMSA-N -1 1 331.416 2.254 20 0 EEADMM Cc1cc(CNCc2ccc(S(C)(=O)=O)s2)ccc1C(=O)[O-] ZINC000904021515 694265286 /nfs/dbraw/zinc/26/52/86/694265286.db2.gz XHFFTKMNQYVWNY-UHFFFAOYSA-N -1 1 339.438 2.448 20 0 EEADMM 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COC(=O)CCCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609298478 1351924355 /nfs/dbraw/zinc/92/43/55/1351924355.db2.gz VNHZKSIKIPFUOZ-UHFFFAOYSA-N -1 1 330.801 2.122 20 0 EEADMM CON(Cc1ccccc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609332392 1351935681 /nfs/dbraw/zinc/93/56/81/1351935681.db2.gz MMWRNYKETYUALK-UHFFFAOYSA-N -1 1 327.319 2.210 20 0 EEADMM CON(Cc1ccccc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609332392 1351935687 /nfs/dbraw/zinc/93/56/87/1351935687.db2.gz MMWRNYKETYUALK-UHFFFAOYSA-N -1 1 327.319 2.210 20 0 EEADMM COCC[C@@H]1CCCCN(C(=O)c2cc(-c3nnn[n-]3)oc2C)C1 ZINC001609322397 1351933014 /nfs/dbraw/zinc/93/30/14/1351933014.db2.gz QEWWETLRKIRPBR-LBPRGKRZSA-N -1 1 333.392 2.047 20 0 EEADMM COCC[C@@H]1CCCCN(C(=O)c2cc(-c3nn[n-]n3)oc2C)C1 ZINC001609322397 1351933016 /nfs/dbraw/zinc/93/30/16/1351933016.db2.gz QEWWETLRKIRPBR-LBPRGKRZSA-N -1 1 333.392 2.047 20 0 EEADMM COCCCOc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609323597 1351934197 /nfs/dbraw/zinc/93/41/97/1351934197.db2.gz LHNRPXLCWGSALW-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COCCCOc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609323597 1351934200 /nfs/dbraw/zinc/93/42/00/1351934200.db2.gz LHNRPXLCWGSALW-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COc1cccc(C2(CNc3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001609360558 1351946428 /nfs/dbraw/zinc/94/64/28/1351946428.db2.gz BPVRUTCLRNFGHG-UHFFFAOYSA-N -1 1 337.387 2.117 20 0 EEADMM COc1cccc(C2(CNc3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001609360558 1351946430 /nfs/dbraw/zinc/94/64/30/1351946430.db2.gz BPVRUTCLRNFGHG-UHFFFAOYSA-N -1 1 337.387 2.117 20 0 EEADMM Cc1ccc(C2=NO[C@H](CNc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609421742 1351970016 /nfs/dbraw/zinc/97/00/16/1351970016.db2.gz XQBNBZRTNXCPAH-ZDUSSCGKSA-N -1 1 335.371 2.175 20 0 EEADMM Cc1ccc(C2=NO[C@H](CNc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609421742 1351970020 /nfs/dbraw/zinc/97/00/20/1351970020.db2.gz XQBNBZRTNXCPAH-ZDUSSCGKSA-N -1 1 335.371 2.175 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609422478 1351970282 /nfs/dbraw/zinc/97/02/82/1351970282.db2.gz XZNMETRGXIAHEL-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609422478 1351970285 /nfs/dbraw/zinc/97/02/85/1351970285.db2.gz XZNMETRGXIAHEL-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609431080 1351974596 /nfs/dbraw/zinc/97/45/96/1351974596.db2.gz NVGPWFKLFVEWRD-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609431080 1351974598 /nfs/dbraw/zinc/97/45/98/1351974598.db2.gz NVGPWFKLFVEWRD-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1nsc(Oc2ccc3c(=O)cc[nH]c3c2)c1-c1nnn[n-]1 ZINC001609466404 1351987955 /nfs/dbraw/zinc/98/79/55/1351987955.db2.gz TYWGXKMCWUYCOP-UHFFFAOYSA-N -1 1 326.341 2.265 20 0 EEADMM Cc1nsc(Oc2ccc3c(=O)cc[nH]c3c2)c1-c1nn[n-]n1 ZINC001609466404 1351987959 /nfs/dbraw/zinc/98/79/59/1351987959.db2.gz TYWGXKMCWUYCOP-UHFFFAOYSA-N -1 1 326.341 2.265 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(N(C)C)c1C ZINC001609468107 1351988562 /nfs/dbraw/zinc/98/85/62/1351988562.db2.gz GFMVNELQQVZXGX-UHFFFAOYSA-N -1 1 326.360 2.395 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(N(C)C)c1C ZINC001609468107 1351988565 /nfs/dbraw/zinc/98/85/65/1351988565.db2.gz GFMVNELQQVZXGX-UHFFFAOYSA-N -1 1 326.360 2.395 20 0 EEADMM Clc1nsc(N2CCC=C(Br)C2)c1-c1nnn[n-]1 ZINC001609474646 1351989881 /nfs/dbraw/zinc/98/98/81/1351989881.db2.gz LCTJVCXZRZYGSB-UHFFFAOYSA-N -1 1 347.629 2.466 20 0 EEADMM Clc1nsc(N2CCC=C(Br)C2)c1-c1nn[n-]n1 ZINC001609474646 1351989884 /nfs/dbraw/zinc/98/98/84/1351989884.db2.gz LCTJVCXZRZYGSB-UHFFFAOYSA-N -1 1 347.629 2.466 20 0 EEADMM CCC(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001414077936 1335739195 /nfs/dbraw/zinc/73/91/95/1335739195.db2.gz BNSCRONXUMWHML-ZIAGYGMSSA-N -1 1 333.432 2.381 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1cccc(-c2nnn[n-]2)n1 ZINC001609570371 1352019273 /nfs/dbraw/zinc/01/92/73/1352019273.db2.gz ZYGLKGUBBFGFSX-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1cccc(-c2nn[n-]n2)n1 ZINC001609570371 1352019277 /nfs/dbraw/zinc/01/92/77/1352019277.db2.gz ZYGLKGUBBFGFSX-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM CC(=O)N(c1nc(CN[C@H]2CCCC[C@H]2C(=O)[O-])cs1)C1CC1 ZINC001609584411 1352027488 /nfs/dbraw/zinc/02/74/88/1352027488.db2.gz RVQDUQQXUVWFDU-KGLIPLIRSA-N -1 1 337.445 2.391 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc(Cl)cc2cccnc21 ZINC001609605042 1352032913 /nfs/dbraw/zinc/03/29/13/1352032913.db2.gz DRFDKPHAARQOHB-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2nnc(C(F)F)n2c1 ZINC001337531547 1336711806 /nfs/dbraw/zinc/71/18/06/1336711806.db2.gz XIBHQPZCKBUTKX-UHFFFAOYSA-N -1 1 347.207 2.056 20 0 EEADMM C[C@](O)(Cc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001609788031 1352085394 /nfs/dbraw/zinc/08/53/94/1352085394.db2.gz HFBIIHLBRFDGJN-SFHVURJKSA-N -1 1 339.351 2.193 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](c2cnn(C)c2)c2ccccc2)O1 ZINC001609829491 1352095843 /nfs/dbraw/zinc/09/58/43/1352095843.db2.gz LFJYYZVYQANLBT-NVXWUHKLSA-N -1 1 327.384 2.247 20 0 EEADMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3nnc(C)s3)n2)cc1 ZINC001339277029 1336984133 /nfs/dbraw/zinc/98/41/33/1336984133.db2.gz UXHXVOQMJBJSDR-UHFFFAOYSA-N -1 1 349.441 2.168 20 0 EEADMM CCc1ccc(-c2nc(S(=O)(=O)Cc3nnc(C)s3)n[n-]2)cc1 ZINC001339277029 1336984135 /nfs/dbraw/zinc/98/41/35/1336984135.db2.gz UXHXVOQMJBJSDR-UHFFFAOYSA-N -1 1 349.441 2.168 20 0 EEADMM C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001609862532 1352105687 /nfs/dbraw/zinc/10/56/87/1352105687.db2.gz PBBIRABHANMERN-BZNIZROVSA-N -1 1 328.368 2.259 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccc2ccccc2c1 ZINC001609866860 1352106722 /nfs/dbraw/zinc/10/67/22/1352106722.db2.gz GPOWHIMPROXRKM-OAHLLOKOSA-N -1 1 340.423 2.390 20 0 EEADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001609909072 1352117238 /nfs/dbraw/zinc/11/72/38/1352117238.db2.gz KVHMMRDIWRZHGT-RKDXNWHRSA-N -1 1 332.364 2.294 20 0 EEADMM CC[C@@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC001609931601 1352122966 /nfs/dbraw/zinc/12/29/66/1352122966.db2.gz DAKXWYOYGRORPS-TZMCWYRMSA-N -1 1 336.413 2.322 20 0 EEADMM CC[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1c(C)nn(C)c1C ZINC001609932917 1352123048 /nfs/dbraw/zinc/12/30/48/1352123048.db2.gz HLLSNZKHRJUJFZ-HNNXBMFYSA-N -1 1 344.415 2.415 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001609945094 1352126554 /nfs/dbraw/zinc/12/65/54/1352126554.db2.gz BEBWMPAMODVZMD-NSHDSACASA-N -1 1 325.434 2.072 20 0 EEADMM CC[C@H]1CN(Cc2oncc2C(=O)[O-])CCN1Cc1ccccc1 ZINC001609946323 1352126642 /nfs/dbraw/zinc/12/66/42/1352126642.db2.gz CAPCBEFHALHUCD-HNNXBMFYSA-N -1 1 329.400 2.469 20 0 EEADMM CCCCn1nnnc1COc1cc(C)nc(CCC)c1C(=O)[O-] ZINC001609974218 1352133327 /nfs/dbraw/zinc/13/33/27/1352133327.db2.gz YMJQKJNBIHWVOO-UHFFFAOYSA-N -1 1 333.392 2.406 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)[C@@H](C)[C@H]1OC ZINC001348204112 1337545777 /nfs/dbraw/zinc/54/57/77/1337545777.db2.gz YQTVPVSIHSTCER-GGZOMVNGSA-N -1 1 339.461 2.349 20 0 EEADMM O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352596270 1337993301 /nfs/dbraw/zinc/99/33/01/1337993301.db2.gz OKHYIFGAVKBACR-LBPRGKRZSA-N -1 1 347.378 2.453 20 0 EEADMM CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847379511 1338002719 /nfs/dbraw/zinc/00/27/19/1338002719.db2.gz HNUFYKVRDDUBQZ-WISYIIOYSA-N -1 1 335.370 2.274 20 0 EEADMM CO[C@H](C)c1noc(CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001610226826 1352190097 /nfs/dbraw/zinc/19/00/97/1352190097.db2.gz WNXLWDNMQHAWAF-OUCADQQQSA-N -1 1 333.388 2.199 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(O)c1 ZINC001610342989 1352208517 /nfs/dbraw/zinc/20/85/17/1352208517.db2.gz DHKYHJBVVJKCHM-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000848262524 1338622818 /nfs/dbraw/zinc/62/28/18/1338622818.db2.gz ZMEXGPNBUURKJE-SNVBAGLBSA-N -1 1 341.713 2.057 20 0 EEADMM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)Nc2nccs2)c1 ZINC001610357820 1352210492 /nfs/dbraw/zinc/21/04/92/1352210492.db2.gz ULOIGYTUMAFTAZ-INIZCTEOSA-N -1 1 349.412 2.070 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](C[S@@](C)=O)c2ccccc2)n1C ZINC001610409136 1352218354 /nfs/dbraw/zinc/21/83/54/1352218354.db2.gz NMJYDAFXZAELDO-WAIKUNEKSA-N -1 1 334.441 2.241 20 0 EEADMM Cc1cc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001610461968 1352226763 /nfs/dbraw/zinc/22/67/63/1352226763.db2.gz QIIBNWZCKPWDOM-JTQLQIEISA-N -1 1 348.321 2.177 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001610461968 1352226766 /nfs/dbraw/zinc/22/67/66/1352226766.db2.gz QIIBNWZCKPWDOM-JTQLQIEISA-N -1 1 348.321 2.177 20 0 EEADMM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610541581 1352241955 /nfs/dbraw/zinc/24/19/55/1352241955.db2.gz JFODYVHIHNTMJE-UHFFFAOYSA-N -1 1 349.412 2.029 20 0 EEADMM Cc1oc(CN(C)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1C(=O)[O-] ZINC001610582336 1352248762 /nfs/dbraw/zinc/24/87/62/1352248762.db2.gz XDKZZPXCTVBKDH-CYBMUJFWSA-N -1 1 332.360 2.228 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)CCC1CC1)NC(=O)c1ncccc1[O-] ZINC001428363053 1339477082 /nfs/dbraw/zinc/47/70/82/1339477082.db2.gz FAMNBZSHCHHSCT-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001610734555 1352266600 /nfs/dbraw/zinc/26/66/00/1352266600.db2.gz BPDHHWKQFRBCRK-HIFRSBDPSA-N -1 1 339.819 2.396 20 0 EEADMM O=C([O-])c1cnccc1C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001610864630 1352287281 /nfs/dbraw/zinc/28/72/81/1352287281.db2.gz RGYLAKUIPCLPCZ-CQSZACIVSA-N -1 1 326.352 2.211 20 0 EEADMM Cc1ccc(CC(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)o1 ZINC001611201526 1352296371 /nfs/dbraw/zinc/29/63/71/1352296371.db2.gz YQQYBEJJHIWAIM-CQSZACIVSA-N -1 1 349.753 2.342 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429954289 1340067533 /nfs/dbraw/zinc/06/75/33/1340067533.db2.gz KSFQASPUNWGAKF-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C2CCCC2)CC1 ZINC001432513814 1341313013 /nfs/dbraw/zinc/31/30/13/1341313013.db2.gz ZDNZJSSNIAZLLR-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001433017656 1341466907 /nfs/dbraw/zinc/46/69/07/1341466907.db2.gz UWICROWYPXFAPJ-GFCCVEGCSA-N -1 1 347.440 2.423 20 0 EEADMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC001434576965 1341877817 /nfs/dbraw/zinc/87/78/17/1341877817.db2.gz UQZQCLCZWJTMAE-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cccc(-c2cnco2)c1 ZINC001557724165 1342453656 /nfs/dbraw/zinc/45/36/56/1342453656.db2.gz VEXCSPFPSMMGAX-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001573936489 1343662651 /nfs/dbraw/zinc/66/26/51/1343662651.db2.gz VGTHJYZHNOBRJF-UHFFFAOYSA-N -1 1 339.359 2.133 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001573936489 1343662654 /nfs/dbraw/zinc/66/26/54/1343662654.db2.gz VGTHJYZHNOBRJF-UHFFFAOYSA-N -1 1 339.359 2.133 20 0 EEADMM CN(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001578997232 1344328411 /nfs/dbraw/zinc/32/84/11/1344328411.db2.gz YQQQMBIQVXEUKF-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001578997232 1344328415 /nfs/dbraw/zinc/32/84/15/1344328415.db2.gz YQQQMBIQVXEUKF-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001579992400 1344445270 /nfs/dbraw/zinc/44/52/70/1344445270.db2.gz NXEMATMEXOYYTD-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccc(CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001579995406 1344445872 /nfs/dbraw/zinc/44/58/72/1344445872.db2.gz DQNOYHFRCONMFE-UHFFFAOYSA-N -1 1 343.412 2.186 20 0 EEADMM COc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1Cl ZINC001580014211 1344448041 /nfs/dbraw/zinc/44/80/41/1344448041.db2.gz MPRMDTQMOYWYHU-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1Cl ZINC001580014211 1344448046 /nfs/dbraw/zinc/44/80/46/1344448046.db2.gz MPRMDTQMOYWYHU-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cccc(Cl)c1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580070733 1344464324 /nfs/dbraw/zinc/46/43/24/1344464324.db2.gz ZRCTYHCHDAICRI-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1cccc(Cl)c1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580070733 1344464329 /nfs/dbraw/zinc/46/43/29/1344464329.db2.gz ZRCTYHCHDAICRI-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM CSc1c(F)cccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001580230234 1344495062 /nfs/dbraw/zinc/49/50/62/1344495062.db2.gz AMRTURFAXYXETI-UHFFFAOYSA-N -1 1 348.363 2.205 20 0 EEADMM CSc1c(F)cccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001580230234 1344495066 /nfs/dbraw/zinc/49/50/66/1344495066.db2.gz AMRTURFAXYXETI-UHFFFAOYSA-N -1 1 348.363 2.205 20 0 EEADMM Cc1ccc2c(c1)C=C(C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])CO2 ZINC001581215001 1344599940 /nfs/dbraw/zinc/59/99/40/1344599940.db2.gz QHYSEIGXLJHZMH-UHFFFAOYSA-N -1 1 349.350 2.295 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581258087 1344607937 /nfs/dbraw/zinc/60/79/37/1344607937.db2.gz DUBYJAGHRRPXQS-GFCCVEGCSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581258087 1344607944 /nfs/dbraw/zinc/60/79/44/1344607944.db2.gz DUBYJAGHRRPXQS-GFCCVEGCSA-N -1 1 337.387 2.323 20 0 EEADMM Clc1sc(NCc2cnc(Cl)cn2)nc1-c1nn[n-]n1 ZINC001581745644 1344660385 /nfs/dbraw/zinc/66/03/85/1344660385.db2.gz NBWAXIDYUFUSED-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccsc1-c1nnn[n-]1 ZINC001582328684 1344733473 /nfs/dbraw/zinc/73/34/73/1344733473.db2.gz XRHLEHCJCXSZFN-LLVKDONJSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccsc1-c1nn[n-]n1 ZINC001582328684 1344733479 /nfs/dbraw/zinc/73/34/79/1344733479.db2.gz XRHLEHCJCXSZFN-LLVKDONJSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001582526718 1344758587 /nfs/dbraw/zinc/75/85/87/1344758587.db2.gz SFJZDJNUERTEJL-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001582526718 1344758589 /nfs/dbraw/zinc/75/85/89/1344758589.db2.gz SFJZDJNUERTEJL-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001582548873 1344761143 /nfs/dbraw/zinc/76/11/43/1344761143.db2.gz YKJPAGWSPLNEJJ-FKTZTGRPSA-N -1 1 339.371 2.226 20 0 EEADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC001582551823 1344761650 /nfs/dbraw/zinc/76/16/50/1344761650.db2.gz FCRLGUAQJSFCPL-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cc2occc2s1 ZINC001582558714 1344762601 /nfs/dbraw/zinc/76/26/01/1344762601.db2.gz GMEJQGBPIGULFC-UHFFFAOYSA-N -1 1 332.370 2.061 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cc2occc2s1 ZINC001582558714 1344762606 /nfs/dbraw/zinc/76/26/06/1344762606.db2.gz GMEJQGBPIGULFC-UHFFFAOYSA-N -1 1 332.370 2.061 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1nc2ccccc2cc1Cl ZINC001582650041 1344777273 /nfs/dbraw/zinc/77/72/73/1344777273.db2.gz KAJBHSKXZMWCTQ-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc3c(c1)CCC3)CCC2 ZINC001582806840 1344794142 /nfs/dbraw/zinc/79/41/42/1344794142.db2.gz SFCKBZKZKKUAPB-UHFFFAOYSA-N -1 1 333.395 2.054 20 0 EEADMM O=C(CCCn1ccccc1=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001586210976 1348847432 /nfs/dbraw/zinc/84/74/32/1348847432.db2.gz CZPTUVXIMLTQFC-UHFFFAOYSA-N -1 1 338.367 2.159 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001588771322 1348933805 /nfs/dbraw/zinc/93/38/05/1348933805.db2.gz UOPOQJLSFDMZBV-PKNBQFBNSA-N -1 1 338.346 2.467 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001588771322 1348933806 /nfs/dbraw/zinc/93/38/06/1348933806.db2.gz UOPOQJLSFDMZBV-PKNBQFBNSA-N -1 1 338.346 2.467 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC001588888995 1348942058 /nfs/dbraw/zinc/94/20/58/1348942058.db2.gz KKMLUAUYZKTZGP-PWSUYJOCSA-N -1 1 347.444 2.186 20 0 EEADMM C[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001589012215 1348952454 /nfs/dbraw/zinc/95/24/54/1348952454.db2.gz UJZJLYKWGMRVMD-MRVPVSSYSA-N -1 1 341.350 2.349 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589193184 1348967939 /nfs/dbraw/zinc/96/79/39/1348967939.db2.gz KZCICDXORWHXAV-UHFFFAOYSA-N -1 1 333.392 2.316 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001589193184 1348967942 /nfs/dbraw/zinc/96/79/42/1348967942.db2.gz KZCICDXORWHXAV-UHFFFAOYSA-N -1 1 333.392 2.316 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC001589198522 1348970019 /nfs/dbraw/zinc/97/00/19/1348970019.db2.gz YOKKENWPAXUKDW-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC001589198522 1348970022 /nfs/dbraw/zinc/97/00/22/1348970022.db2.gz YOKKENWPAXUKDW-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)c1ccc(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001589227644 1348972507 /nfs/dbraw/zinc/97/25/07/1348972507.db2.gz FNYZUYAEYUNRAO-TWGQIWQCSA-N -1 1 337.387 2.297 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589490300 1348995421 /nfs/dbraw/zinc/99/54/21/1348995421.db2.gz JWVJQTKPPCYRSH-BZNIZROVSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589490300 1348995424 /nfs/dbraw/zinc/99/54/24/1348995424.db2.gz JWVJQTKPPCYRSH-BZNIZROVSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2ncncc2-c2nn[n-]n2)CC1 ZINC001589606913 1349009795 /nfs/dbraw/zinc/00/97/95/1349009795.db2.gz DWLXPVJQKCENDA-JOCQHMNTSA-N -1 1 331.424 2.443 20 0 EEADMM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC001589737061 1349026046 /nfs/dbraw/zinc/02/60/46/1349026046.db2.gz HCDCGUDOWIFXDU-CHWSQXEVSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC001589737061 1349026052 /nfs/dbraw/zinc/02/60/52/1349026052.db2.gz HCDCGUDOWIFXDU-CHWSQXEVSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)c1csc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001589773840 1349036411 /nfs/dbraw/zinc/03/64/11/1349036411.db2.gz ROINDZWHSAXOII-UHFFFAOYSA-N -1 1 344.404 2.163 20 0 EEADMM CC(C)c1csc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001589773840 1349036414 /nfs/dbraw/zinc/03/64/14/1349036414.db2.gz ROINDZWHSAXOII-UHFFFAOYSA-N -1 1 344.404 2.163 20 0 EEADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccccc1Cl ZINC001589876239 1349053475 /nfs/dbraw/zinc/05/34/75/1349053475.db2.gz RRSJGEYVRCSEMT-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccccc1Cl ZINC001589876239 1349053478 /nfs/dbraw/zinc/05/34/78/1349053478.db2.gz RRSJGEYVRCSEMT-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589926284 1349064955 /nfs/dbraw/zinc/06/49/55/1349064955.db2.gz KHFJQAVJNKPZOY-STQMWFEESA-N -1 1 336.399 2.113 20 0 EEADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589926284 1349064961 /nfs/dbraw/zinc/06/49/61/1349064961.db2.gz KHFJQAVJNKPZOY-STQMWFEESA-N -1 1 336.399 2.113 20 0 EEADMM C[C@H](c1ccccc1)[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590051566 1349130565 /nfs/dbraw/zinc/13/05/65/1349130565.db2.gz LSGJGKYSZPKHEX-ZWNOBZJWSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@H](c1ccccc1)[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590051566 1349130571 /nfs/dbraw/zinc/13/05/71/1349130571.db2.gz LSGJGKYSZPKHEX-ZWNOBZJWSA-N -1 1 344.806 2.492 20 0 EEADMM CC1(C)CC[C@@H](O)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001590099942 1349154885 /nfs/dbraw/zinc/15/48/85/1349154885.db2.gz MQNPHKJJCFKXKG-RNFRBKRXSA-N -1 1 328.829 2.328 20 0 EEADMM CC1(C)CC[C@@H](O)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590099942 1349154889 /nfs/dbraw/zinc/15/48/89/1349154889.db2.gz MQNPHKJJCFKXKG-RNFRBKRXSA-N -1 1 328.829 2.328 20 0 EEADMM C[C@@]1(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590122833 1349164160 /nfs/dbraw/zinc/16/41/60/1349164160.db2.gz AMZRPHFVZOGNLP-GFCCVEGCSA-N -1 1 342.186 2.279 20 0 EEADMM C[C@@]1(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590122833 1349164168 /nfs/dbraw/zinc/16/41/68/1349164168.db2.gz AMZRPHFVZOGNLP-GFCCVEGCSA-N -1 1 342.186 2.279 20 0 EEADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590139806 1349171805 /nfs/dbraw/zinc/17/18/05/1349171805.db2.gz MNSACCBOYSORRQ-IBGZPJMESA-N -1 1 348.410 2.499 20 0 EEADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590139806 1349171810 /nfs/dbraw/zinc/17/18/10/1349171810.db2.gz MNSACCBOYSORRQ-IBGZPJMESA-N -1 1 348.410 2.499 20 0 EEADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590239234 1349218464 /nfs/dbraw/zinc/21/84/64/1349218464.db2.gz KTIXVLUWJCUONK-RKDXNWHRSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590283618 1349246357 /nfs/dbraw/zinc/24/63/57/1349246357.db2.gz VBZJEUWRDXDDTP-AMIZOPFISA-N -1 1 344.400 2.061 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C(F)(F)F ZINC001590381888 1349294660 /nfs/dbraw/zinc/29/46/60/1349294660.db2.gz JONSDAZADYEJHP-LLVKDONJSA-N -1 1 348.716 2.376 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590401264 1349304747 /nfs/dbraw/zinc/30/47/47/1349304747.db2.gz FDXYTHCOFGSJJN-MNOVXSKESA-N -1 1 339.421 2.049 20 0 EEADMM CC[C@@H](C)C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC ZINC001590405030 1349307669 /nfs/dbraw/zinc/30/76/69/1349307669.db2.gz UVUMHDSSMQDEKH-RNFRBKRXSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](C)C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC ZINC001590405030 1349307674 /nfs/dbraw/zinc/30/76/74/1349307674.db2.gz UVUMHDSSMQDEKH-RNFRBKRXSA-N -1 1 344.828 2.366 20 0 EEADMM CCC(CC)c1nnc(NC(=O)c2coc(-c3nn[n-]n3)c2)s1 ZINC001590436904 1349326067 /nfs/dbraw/zinc/32/60/67/1349326067.db2.gz WYVWSLSOXANGRJ-UHFFFAOYSA-N -1 1 333.377 2.467 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CC1(C)C ZINC001590470002 1349343853 /nfs/dbraw/zinc/34/38/53/1349343853.db2.gz NAZYYBSWHTULHI-BDAKNGLRSA-N -1 1 341.462 2.031 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CC1(C)C ZINC001590470002 1349343860 /nfs/dbraw/zinc/34/38/60/1349343860.db2.gz NAZYYBSWHTULHI-BDAKNGLRSA-N -1 1 341.462 2.031 20 0 EEADMM CCC1(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCCCC1 ZINC001590497240 1349355542 /nfs/dbraw/zinc/35/55/42/1349355542.db2.gz CBSROMFWMLGEIX-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM CCN(CC(C)(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001590683145 1349387510 /nfs/dbraw/zinc/38/75/10/1349387510.db2.gz XAGUTEJNHIIIGY-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CCNc1scnc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590748330 1349396397 /nfs/dbraw/zinc/39/63/97/1349396397.db2.gz DCDITKBXAHHDTA-UHFFFAOYSA-N -1 1 336.402 2.174 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C12CCC2 ZINC001590789979 1349400347 /nfs/dbraw/zinc/40/03/47/1349400347.db2.gz BRNAUOKCWFTWNL-OLZOCXBDSA-N -1 1 341.419 2.294 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C12CCC2 ZINC001590789979 1349400351 /nfs/dbraw/zinc/40/03/51/1349400351.db2.gz BRNAUOKCWFTWNL-OLZOCXBDSA-N -1 1 341.419 2.294 20 0 EEADMM CCc1nc(NC[C@@]2(C)CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590918048 1349412096 /nfs/dbraw/zinc/41/20/96/1349412096.db2.gz NEBNQQHTPSHMIH-INIZCTEOSA-N -1 1 343.435 2.370 20 0 EEADMM CCc1nc(NC[C@@]2(C)CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590918048 1349412100 /nfs/dbraw/zinc/41/21/00/1349412100.db2.gz NEBNQQHTPSHMIH-INIZCTEOSA-N -1 1 343.435 2.370 20 0 EEADMM COC(=O)C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001591263658 1349453881 /nfs/dbraw/zinc/45/38/81/1349453881.db2.gz CNWDVWBQWYWGLT-NSHDSACASA-N -1 1 339.355 2.127 20 0 EEADMM COC(=O)C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001591263658 1349453885 /nfs/dbraw/zinc/45/38/85/1349453885.db2.gz CNWDVWBQWYWGLT-NSHDSACASA-N -1 1 339.355 2.127 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001591382614 1349476386 /nfs/dbraw/zinc/47/63/86/1349476386.db2.gz KRVOFCPLOJCBFV-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001591382614 1349476393 /nfs/dbraw/zinc/47/63/93/1349476393.db2.gz KRVOFCPLOJCBFV-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591521234 1349497023 /nfs/dbraw/zinc/49/70/23/1349497023.db2.gz OLKCZBUKHOJKTH-UHFFFAOYSA-N -1 1 337.387 2.463 20 0 EEADMM COc1cc(C)ccc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591521234 1349497028 /nfs/dbraw/zinc/49/70/28/1349497028.db2.gz OLKCZBUKHOJKTH-UHFFFAOYSA-N -1 1 337.387 2.463 20 0 EEADMM COc1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1 ZINC001591584218 1349509757 /nfs/dbraw/zinc/50/97/57/1349509757.db2.gz WWAGUYWTZFYZCL-UHFFFAOYSA-N -1 1 339.355 2.071 20 0 EEADMM Cc1cccc(CCC(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592228962 1349612438 /nfs/dbraw/zinc/61/24/38/1349612438.db2.gz OQQQODVGNRRTPM-UHFFFAOYSA-N -1 1 329.385 2.308 20 0 EEADMM Cc1cccc(CCC(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592228962 1349612439 /nfs/dbraw/zinc/61/24/39/1349612439.db2.gz OQQQODVGNRRTPM-UHFFFAOYSA-N -1 1 329.385 2.308 20 0 EEADMM Cc1[nH]nc(NCc2ccc(Oc3cnccn3)cc2)c1-c1nn[n-]n1 ZINC001592330836 1349621982 /nfs/dbraw/zinc/62/19/82/1349621982.db2.gz NFHDEAWXZXZOTF-UHFFFAOYSA-N -1 1 349.358 2.093 20 0 EEADMM Cc1nn(C)c(NC(=O)c2sccc2C(F)F)c1-c1nnn[n-]1 ZINC001592432946 1349632130 /nfs/dbraw/zinc/63/21/30/1349632130.db2.gz MEZNOBONGNXLKY-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1nn(C)c(NC(=O)c2sccc2C(F)F)c1-c1nn[n-]n1 ZINC001592432946 1349632131 /nfs/dbraw/zinc/63/21/31/1349632131.db2.gz MEZNOBONGNXLKY-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1nsc(NC2CCC(O)(C(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC001592484262 1349636555 /nfs/dbraw/zinc/63/65/55/1349636555.db2.gz WARMXAQIVCAMPD-UHFFFAOYSA-N -1 1 348.354 2.280 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccn(CCC(C)C)n1 ZINC001592503142 1349640066 /nfs/dbraw/zinc/64/00/66/1349640066.db2.gz LWWMFHZSMZVEJO-UHFFFAOYSA-N -1 1 329.364 2.263 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccn(CCC(C)C)n1 ZINC001592503142 1349640068 /nfs/dbraw/zinc/64/00/68/1349640068.db2.gz LWWMFHZSMZVEJO-UHFFFAOYSA-N -1 1 329.364 2.263 20 0 EEADMM Clc1nc(Sc2n[nH]c(C3CC3)n2)sc1-c1nn[n-]n1 ZINC001592537803 1349652213 /nfs/dbraw/zinc/65/22/13/1349652213.db2.gz CLYAZDZPBCDETK-UHFFFAOYSA-N -1 1 326.798 2.123 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3sccc3s2)n1 ZINC001592560479 1349657701 /nfs/dbraw/zinc/65/77/01/1349657701.db2.gz GDFVIPROFQYFIY-UHFFFAOYSA-N -1 1 331.386 2.129 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3sccc3s2)n1 ZINC001592560479 1349657705 /nfs/dbraw/zinc/65/77/05/1349657705.db2.gz GDFVIPROFQYFIY-UHFFFAOYSA-N -1 1 331.386 2.129 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592613734 1349670812 /nfs/dbraw/zinc/67/08/12/1349670812.db2.gz JYRHXDYSNVDXNC-UWVGGRQHSA-N -1 1 326.326 2.464 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592613734 1349670818 /nfs/dbraw/zinc/67/08/18/1349670818.db2.gz JYRHXDYSNVDXNC-UWVGGRQHSA-N -1 1 326.326 2.464 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001592647839 1349692270 /nfs/dbraw/zinc/69/22/70/1349692270.db2.gz YAJBFXKDAGTMCD-LBPRGKRZSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592648215 1349692829 /nfs/dbraw/zinc/69/28/29/1349692829.db2.gz DCPDASLIUUZSCO-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccccc1CC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592658585 1349702978 /nfs/dbraw/zinc/70/29/78/1349702978.db2.gz ANEVWLNUJNTGIY-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC2(CCCC2)CC1 ZINC001593244675 1349749763 /nfs/dbraw/zinc/74/97/63/1349749763.db2.gz WYONXKMZHVOHAB-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC2(CCCC2)CC1 ZINC001593244675 1349749766 /nfs/dbraw/zinc/74/97/66/1349749766.db2.gz WYONXKMZHVOHAB-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCSC1 ZINC001593263058 1349754636 /nfs/dbraw/zinc/75/46/36/1349754636.db2.gz AUYJTCAILPPIQV-YFKPBYRVSA-N -1 1 330.826 2.058 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593286238 1349764361 /nfs/dbraw/zinc/76/43/61/1349764361.db2.gz FRDIPJHVLKWALQ-UHFFFAOYSA-N -1 1 337.208 2.006 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593286238 1349764364 /nfs/dbraw/zinc/76/43/64/1349764364.db2.gz FRDIPJHVLKWALQ-UHFFFAOYSA-N -1 1 337.208 2.006 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(C(F)(F)F)CCC1 ZINC001593307195 1349776380 /nfs/dbraw/zinc/77/63/80/1349776380.db2.gz NANYKFJDQWMYTK-UHFFFAOYSA-N -1 1 333.295 2.099 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(C(F)(F)F)CCC1 ZINC001593307195 1349776382 /nfs/dbraw/zinc/77/63/82/1349776382.db2.gz NANYKFJDQWMYTK-UHFFFAOYSA-N -1 1 333.295 2.099 20 0 EEADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593309946 1349778047 /nfs/dbraw/zinc/77/80/47/1349778047.db2.gz GONYNWPJXIRANG-RWMBFGLXSA-N -1 1 338.415 2.367 20 0 EEADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593309946 1349778049 /nfs/dbraw/zinc/77/80/49/1349778049.db2.gz GONYNWPJXIRANG-RWMBFGLXSA-N -1 1 338.415 2.367 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC1CC1)c1cccc(F)c1 ZINC001593348069 1349787238 /nfs/dbraw/zinc/78/72/38/1349787238.db2.gz NTIXTSNHUXLZBR-UHFFFAOYSA-N -1 1 338.346 2.458 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC1CC1)c1cccc(F)c1 ZINC001593348069 1349787240 /nfs/dbraw/zinc/78/72/40/1349787240.db2.gz NTIXTSNHUXLZBR-UHFFFAOYSA-N -1 1 338.346 2.458 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCS[C@H](C(F)(F)F)C1 ZINC001593362745 1349790949 /nfs/dbraw/zinc/79/09/49/1349790949.db2.gz XPDVGIDJGMOYKU-ZETCQYMHSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCS[C@H](C(F)(F)F)C1 ZINC001593362745 1349790952 /nfs/dbraw/zinc/79/09/52/1349790952.db2.gz XPDVGIDJGMOYKU-ZETCQYMHSA-N -1 1 349.363 2.048 20 0 EEADMM c1ccc(COc2cccc(Nc3cc(-c4nnn[n-]4)ncn3)c2)nc1 ZINC001593574653 1349858693 /nfs/dbraw/zinc/85/86/93/1349858693.db2.gz GKWZXSKFYMIKLF-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(COc2cccc(Nc3cc(-c4nn[n-]n4)ncn3)c2)nc1 ZINC001593574653 1349858697 /nfs/dbraw/zinc/85/86/97/1349858697.db2.gz GKWZXSKFYMIKLF-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccnc(-c4nnn[n-]4)c3)nc2)cc1 ZINC001593576434 1349859248 /nfs/dbraw/zinc/85/92/48/1349859248.db2.gz CGSUIYRDVXAHPT-UHFFFAOYSA-N -1 1 345.366 2.483 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccnc(-c4nn[n-]n4)c3)nc2)cc1 ZINC001593576434 1349859253 /nfs/dbraw/zinc/85/92/53/1349859253.db2.gz CGSUIYRDVXAHPT-UHFFFAOYSA-N -1 1 345.366 2.483 20 0 EEADMM c1cnc(OC2CCCC2)c(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593588401 1349866266 /nfs/dbraw/zinc/86/62/66/1349866266.db2.gz XONISJPRGJACIX-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM c1cnc(OC2CCCC2)c(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593588401 1349866277 /nfs/dbraw/zinc/86/62/77/1349866277.db2.gz XONISJPRGJACIX-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM c1nn2cc(CNc3cccc4cccnc43)cnc2c1-c1nnn[n-]1 ZINC001593587283 1349867130 /nfs/dbraw/zinc/86/71/30/1349867130.db2.gz FKNJHNOYONHZFG-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM c1nn2cc(CNc3cccc4cccnc43)cnc2c1-c1nn[n-]n1 ZINC001593587283 1349867134 /nfs/dbraw/zinc/86/71/34/1349867134.db2.gz FKNJHNOYONHZFG-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001598434031 1349938655 /nfs/dbraw/zinc/93/86/55/1349938655.db2.gz GQGXYJAJIORALC-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2cnnn2-c2ccccc2)n1C ZINC001599996026 1349951958 /nfs/dbraw/zinc/95/19/58/1349951958.db2.gz ZNIBXUFCYUOAEN-GFCCVEGCSA-N -1 1 339.399 2.463 20 0 EEADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ncn1 ZINC001600204131 1349992369 /nfs/dbraw/zinc/99/23/69/1349992369.db2.gz DABDRGKCVLGFTJ-ZDUSSCGKSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1cc(NC(=O)NCc2cc(N(C)C)ccn2)cc(C(=O)[O-])c1 ZINC001600271493 1350007474 /nfs/dbraw/zinc/00/74/74/1350007474.db2.gz IRRJTLXEGDTXII-UHFFFAOYSA-N -1 1 328.372 2.476 20 0 EEADMM Cc1cc(NS(=O)(=O)c2c3c(nn2C)CCCC3)cc(C(=O)[O-])c1 ZINC001600281728 1350009975 /nfs/dbraw/zinc/00/99/75/1350009975.db2.gz LQYAPOWINCCHNI-UHFFFAOYSA-N -1 1 349.412 2.106 20 0 EEADMM Cc1oc(CNC[C@H](O)COc2ccc(C)cc2C)cc1C(=O)[O-] ZINC001600468913 1350059375 /nfs/dbraw/zinc/05/93/75/1350059375.db2.gz VGJOKNCGVUBTOJ-AWEZNQCLSA-N -1 1 333.384 2.433 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)NCc3cc(C(=O)[O-])co3)c(=O)c2c1 ZINC001600503934 1350068179 /nfs/dbraw/zinc/06/81/79/1350068179.db2.gz LBMMJOHERXPHHO-UHFFFAOYSA-N -1 1 326.308 2.058 20 0 EEADMM Cc1ccccc1CN1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001600581091 1350089021 /nfs/dbraw/zinc/08/90/21/1350089021.db2.gz RARLBJDBCMWXMR-UHFFFAOYSA-N -1 1 325.412 2.406 20 0 EEADMM Cc1cccnc1NC(=O)CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600592976 1350092494 /nfs/dbraw/zinc/09/24/94/1350092494.db2.gz NVVMNIZTKXPGPY-SFHVURJKSA-N -1 1 345.374 2.447 20 0 EEADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc2c1CCO2 ZINC001600654301 1350108109 /nfs/dbraw/zinc/10/81/09/1350108109.db2.gz CDRFREQIJHYCAM-UHFFFAOYSA-N -1 1 339.394 2.490 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2)c1C(=O)[O-] ZINC001600838954 1350148730 /nfs/dbraw/zinc/14/87/30/1350148730.db2.gz XFGGZXZHIVUMST-UHFFFAOYSA-N -1 1 341.389 2.248 20 0 EEADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cn[nH]c1-c1cccc(Cl)c1 ZINC001601005298 1350187458 /nfs/dbraw/zinc/18/74/58/1350187458.db2.gz XWCXSNZAHZQNGB-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM NC(=O)COc1cccc(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001601152161 1350221004 /nfs/dbraw/zinc/22/10/04/1350221004.db2.gz NNXDWDOGFNOFOF-UHFFFAOYSA-N -1 1 348.786 2.192 20 0 EEADMM N[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC001601171659 1350224995 /nfs/dbraw/zinc/22/49/95/1350224995.db2.gz HXEQBLPHBSKAIV-CYBMUJFWSA-N -1 1 342.380 2.475 20 0 EEADMM Nc1nc(Br)ccc1CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001601219691 1350234491 /nfs/dbraw/zinc/23/44/91/1350234491.db2.gz MTKKAMWKALQACB-YGRLFVJLSA-N -1 1 340.221 2.256 20 0 EEADMM O=C([O-])c1coc(CN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC001601243202 1350240078 /nfs/dbraw/zinc/24/00/78/1350240078.db2.gz OEHSDTVZEDTAPZ-JTQLQIEISA-N -1 1 348.321 2.258 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)CCN1CC[C@H](F)C1)C1CCCCCC1 ZINC001601274615 1350246562 /nfs/dbraw/zinc/24/65/62/1350246562.db2.gz IWMALCAXSAVYTN-GJZGRUSLSA-N -1 1 328.428 2.208 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@@H]21 ZINC001601317371 1350255883 /nfs/dbraw/zinc/25/58/83/1350255883.db2.gz JUINYWVXBKKEDE-KCITZHQASA-N -1 1 342.439 2.297 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC001601450119 1350285753 /nfs/dbraw/zinc/28/57/53/1350285753.db2.gz AZIALFHZCXOZBU-IAGOWNOFSA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])c1cccc(CCNC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC001601513051 1350297947 /nfs/dbraw/zinc/29/79/47/1350297947.db2.gz FTFVRCAEIJXOFJ-CQSZACIVSA-N -1 1 328.372 2.027 20 0 EEADMM O=C([O-])[C@@H](Cc1cncs1)NCc1ccn(-c2cccc(F)c2)n1 ZINC001601662993 1350331986 /nfs/dbraw/zinc/33/19/86/1350331986.db2.gz QZADFSSGKSMBIM-OAHLLOKOSA-N -1 1 346.387 2.253 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001601717195 1350346815 /nfs/dbraw/zinc/34/68/15/1350346815.db2.gz SOCZLXDMBWWICD-GOSISDBHSA-N -1 1 340.358 2.419 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]2C(=O)[O-] ZINC001601779971 1350363397 /nfs/dbraw/zinc/36/33/97/1350363397.db2.gz HWPTYZHDPZIAAH-NOEPWBJOSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])COc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001602082110 1350432600 /nfs/dbraw/zinc/43/26/00/1350432600.db2.gz FRYMVSIUUUUUMQ-QGZVFWFLSA-N -1 1 338.367 2.147 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)on1 ZINC001602249382 1350476620 /nfs/dbraw/zinc/47/66/20/1350476620.db2.gz RWWXPQPQWXKYHM-UHFFFAOYSA-N -1 1 334.288 2.283 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1CCCC[C@@H]1CO ZINC001602431194 1350517942 /nfs/dbraw/zinc/51/79/42/1350517942.db2.gz UDEPOWJEZMFVKF-SNVBAGLBSA-N -1 1 328.206 2.494 20 0 EEADMM O=C([O-])c1ccnc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)c1 ZINC001602477715 1350528356 /nfs/dbraw/zinc/52/83/56/1350528356.db2.gz DLYWFFUIAXBPFN-QGZVFWFLSA-N -1 1 348.362 2.291 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3cncc4ccccc43)C2)nn1 ZINC001602493013 1350531671 /nfs/dbraw/zinc/53/16/71/1350531671.db2.gz DCRBAGCUXAYLFO-OAHLLOKOSA-N -1 1 337.383 2.362 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001602587196 1350552003 /nfs/dbraw/zinc/55/20/03/1350552003.db2.gz WQNYHAVAIGBTBN-GXSJLCMTSA-N -1 1 342.373 2.278 20 0 EEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001603031982 1350624404 /nfs/dbraw/zinc/62/44/04/1350624404.db2.gz MWAKODDDTHEQDU-VIFPVBQESA-N -1 1 337.343 2.089 20 0 EEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001603031982 1350624409 /nfs/dbraw/zinc/62/44/09/1350624409.db2.gz MWAKODDDTHEQDU-VIFPVBQESA-N -1 1 337.343 2.089 20 0 EEADMM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603064469 1350631202 /nfs/dbraw/zinc/63/12/02/1350631202.db2.gz CPMXEBFVBHGUAV-ZDUSSCGKSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(C)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603064469 1350631208 /nfs/dbraw/zinc/63/12/08/1350631208.db2.gz CPMXEBFVBHGUAV-ZDUSSCGKSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C1CC1 ZINC001603139028 1350648203 /nfs/dbraw/zinc/64/82/03/1350648203.db2.gz BHUWKAIGZQAHID-UHFFFAOYSA-N -1 1 334.811 2.471 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1F ZINC001603147455 1350649562 /nfs/dbraw/zinc/64/95/62/1350649562.db2.gz SCSAAHDVIWOMEU-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1F ZINC001603147455 1350649565 /nfs/dbraw/zinc/64/95/65/1350649565.db2.gz SCSAAHDVIWOMEU-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001603184964 1350658103 /nfs/dbraw/zinc/65/81/03/1350658103.db2.gz MKQWOKNYUWXYLB-JOYOIKCWSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001603184964 1350658111 /nfs/dbraw/zinc/65/81/11/1350658111.db2.gz MKQWOKNYUWXYLB-JOYOIKCWSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC001603582612 1350724628 /nfs/dbraw/zinc/72/46/28/1350724628.db2.gz YJZJJKGOWSZHFE-QGZVFWFLSA-N -1 1 342.399 2.170 20 0 EEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1cc(F)ccc1N(C)C ZINC001603688604 1350742508 /nfs/dbraw/zinc/74/25/08/1350742508.db2.gz SUQQLSACCDVEFC-VIFPVBQESA-N -1 1 328.355 2.035 20 0 EEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1cc(F)ccc1N(C)C ZINC001603688604 1350742514 /nfs/dbraw/zinc/74/25/14/1350742514.db2.gz SUQQLSACCDVEFC-VIFPVBQESA-N -1 1 328.355 2.035 20 0 EEADMM CC1(C)Cc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)c2O1 ZINC001603792627 1350768862 /nfs/dbraw/zinc/76/88/62/1350768862.db2.gz DSGCWGVICFPEQC-UHFFFAOYSA-N -1 1 325.328 2.426 20 0 EEADMM CC[C@H](C)CN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001604003502 1350826581 /nfs/dbraw/zinc/82/65/81/1350826581.db2.gz DFLACAMARSHSDQ-JTQLQIEISA-N -1 1 341.412 2.063 20 0 EEADMM CCC(CC)(CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001604019321 1350830854 /nfs/dbraw/zinc/83/08/54/1350830854.db2.gz HVYXRHUXZMHGDD-UHFFFAOYSA-N -1 1 341.394 2.388 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604103377 1350857806 /nfs/dbraw/zinc/85/78/06/1350857806.db2.gz WTEUSHGIIOBRBB-WFASDCNBSA-N -1 1 345.403 2.404 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604103377 1350857809 /nfs/dbraw/zinc/85/78/09/1350857809.db2.gz WTEUSHGIIOBRBB-WFASDCNBSA-N -1 1 345.403 2.404 20 0 EEADMM CCN(Cc1occc1C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604327450 1350916915 /nfs/dbraw/zinc/91/69/15/1350916915.db2.gz OFZFCNLYIIGFHN-UHFFFAOYSA-N -1 1 327.348 2.217 20 0 EEADMM CCN(Cc1occc1C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604327450 1350916918 /nfs/dbraw/zinc/91/69/18/1350916918.db2.gz OFZFCNLYIIGFHN-UHFFFAOYSA-N -1 1 327.348 2.217 20 0 EEADMM CCO[C@@H](CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001604401593 1350930087 /nfs/dbraw/zinc/93/00/87/1350930087.db2.gz XOMOBMCWJPUTOP-JTQLQIEISA-N -1 1 338.437 2.046 20 0 EEADMM CCO[C@@H](CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001604401593 1350930090 /nfs/dbraw/zinc/93/00/90/1350930090.db2.gz XOMOBMCWJPUTOP-JTQLQIEISA-N -1 1 338.437 2.046 20 0 EEADMM CCOCc1ccc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)cc1 ZINC001604433830 1350936652 /nfs/dbraw/zinc/93/66/52/1350936652.db2.gz RGTXXGOPNIFQQJ-UHFFFAOYSA-N -1 1 325.376 2.499 20 0 EEADMM CCOCc1ccc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)cc1 ZINC001604433830 1350936658 /nfs/dbraw/zinc/93/66/58/1350936658.db2.gz RGTXXGOPNIFQQJ-UHFFFAOYSA-N -1 1 325.376 2.499 20 0 EEADMM C[C@H](c1ccc(C(=O)N2CCN(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC001604460153 1350942184 /nfs/dbraw/zinc/94/21/84/1350942184.db2.gz IRGSGWQFBNBYFO-LLVKDONJSA-N -1 1 344.333 2.195 20 0 EEADMM CCOc1cncc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001604470147 1350944648 /nfs/dbraw/zinc/94/46/48/1350944648.db2.gz PUOVZZUQJQZYDL-UITAMQMPSA-N -1 1 339.359 2.025 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC(c3ccc(Cl)cc3)C2)n1 ZINC001604544403 1350958161 /nfs/dbraw/zinc/95/81/61/1350958161.db2.gz WVUBCCPKKUWAQK-UHFFFAOYSA-N -1 1 341.806 2.476 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC(c3ccc(Cl)cc3)C2)n1 ZINC001604544403 1350958163 /nfs/dbraw/zinc/95/81/63/1350958163.db2.gz WVUBCCPKKUWAQK-UHFFFAOYSA-N -1 1 341.806 2.476 20 0 EEADMM CCc1nc(NC[C@H]2CCCO[C@H]2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001604563884 1350961307 /nfs/dbraw/zinc/96/13/07/1350961307.db2.gz HDKPKYVZFCFBBJ-ABAIWWIYSA-N -1 1 331.424 2.082 20 0 EEADMM CCc1nc(NC[C@H]2CCCO[C@H]2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001604563884 1350961309 /nfs/dbraw/zinc/96/13/09/1350961309.db2.gz HDKPKYVZFCFBBJ-ABAIWWIYSA-N -1 1 331.424 2.082 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001604643706 1350976231 /nfs/dbraw/zinc/97/62/31/1350976231.db2.gz SPYKOISPCWEJEI-NWDGAFQWSA-N -1 1 346.439 2.279 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001604643706 1350976232 /nfs/dbraw/zinc/97/62/32/1350976232.db2.gz SPYKOISPCWEJEI-NWDGAFQWSA-N -1 1 346.439 2.279 20 0 EEADMM CC1CCN(CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1 ZINC001604752046 1350997030 /nfs/dbraw/zinc/99/70/30/1350997030.db2.gz HQZMTKHDAYOXSL-UHFFFAOYSA-N -1 1 331.416 2.005 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604784068 1351002525 /nfs/dbraw/zinc/00/25/25/1351002525.db2.gz QMIHNEZIHGLGSO-UHFFFAOYSA-N -1 1 341.346 2.157 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604784068 1351002528 /nfs/dbraw/zinc/00/25/28/1351002528.db2.gz QMIHNEZIHGLGSO-UHFFFAOYSA-N -1 1 341.346 2.157 20 0 EEADMM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604801173 1351009419 /nfs/dbraw/zinc/00/94/19/1351009419.db2.gz XNRVOACDCUNNBH-UHFFFAOYSA-N -1 1 348.370 2.407 20 0 EEADMM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604801173 1351009420 /nfs/dbraw/zinc/00/94/20/1351009420.db2.gz XNRVOACDCUNNBH-UHFFFAOYSA-N -1 1 348.370 2.407 20 0 EEADMM CNC(=O)c1ccc(NCc2csc(-c3nn[n-]n3)c2)c(C)c1 ZINC001604887627 1351025550 /nfs/dbraw/zinc/02/55/50/1351025550.db2.gz PEQTWDLNMAMXHG-UHFFFAOYSA-N -1 1 328.401 2.208 20 0 EEADMM COC(=O)c1ccc(N2CCc3ccc(C)cc32)c(-c2nnn[n-]2)n1 ZINC001604973587 1351042911 /nfs/dbraw/zinc/04/29/11/1351042911.db2.gz SKVZOSJALLTHJD-UHFFFAOYSA-N -1 1 336.355 2.051 20 0 EEADMM COC(=O)c1ccc(N2CCc3ccc(C)cc32)c(-c2nn[n-]n2)n1 ZINC001604973587 1351042913 /nfs/dbraw/zinc/04/29/13/1351042913.db2.gz SKVZOSJALLTHJD-UHFFFAOYSA-N -1 1 336.355 2.051 20 0 EEADMM COC1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC(F)(F)CC1 ZINC001605016040 1351055851 /nfs/dbraw/zinc/05/58/51/1351055851.db2.gz FDSMRNTXKVGXFO-UHFFFAOYSA-N -1 1 342.302 2.097 20 0 EEADMM COC1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC(F)(F)CC1 ZINC001605016040 1351055852 /nfs/dbraw/zinc/05/58/52/1351055852.db2.gz FDSMRNTXKVGXFO-UHFFFAOYSA-N -1 1 342.302 2.097 20 0 EEADMM CC[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)[C@@H](CC)CN1C(C)=O ZINC001605172246 1351094531 /nfs/dbraw/zinc/09/45/31/1351094531.db2.gz CNERCUOUGVDJPS-DLBZAZTESA-N -1 1 348.443 2.371 20 0 EEADMM CCN(C(=O)CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001605396324 1351153532 /nfs/dbraw/zinc/15/35/32/1351153532.db2.gz SMNRKPYFVGIPRB-SIXLDLHFSA-N -1 1 346.427 2.135 20 0 EEADMM Cc1[nH]c2c(cccc2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001605456651 1351161981 /nfs/dbraw/zinc/16/19/81/1351161981.db2.gz OAPJHLPFYZNJOB-UHFFFAOYSA-N -1 1 347.382 2.290 20 0 EEADMM Cc1[nH]c2c(cccc2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001605456651 1351161984 /nfs/dbraw/zinc/16/19/84/1351161984.db2.gz OAPJHLPFYZNJOB-UHFFFAOYSA-N -1 1 347.382 2.290 20 0 EEADMM CCN1CC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001605474352 1351165707 /nfs/dbraw/zinc/16/57/07/1351165707.db2.gz GQUXAYFBTXRVTD-CYBMUJFWSA-N -1 1 335.404 2.388 20 0 EEADMM CCN1CCN(c2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2F)CC1 ZINC001605482743 1351168539 /nfs/dbraw/zinc/16/85/39/1351168539.db2.gz CQGKBQBSUVMHNS-LBPRGKRZSA-N -1 1 337.395 2.017 20 0 EEADMM Cc1c(NC(=O)c2coc(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC001605500182 1351172533 /nfs/dbraw/zinc/17/25/33/1351172533.db2.gz MWOYOLSOXFIWRC-UHFFFAOYSA-N -1 1 327.348 2.332 20 0 EEADMM Cc1c(NC(=O)c2coc(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC001605500182 1351172536 /nfs/dbraw/zinc/17/25/36/1351172536.db2.gz MWOYOLSOXFIWRC-UHFFFAOYSA-N -1 1 327.348 2.332 20 0 EEADMM Cc1c(Nc2nccnc2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC001605501048 1351172934 /nfs/dbraw/zinc/17/29/34/1351172934.db2.gz ZTYMXJOCXFXSRM-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2nccnc2-c2nn[n-]n2)cnn1-c1ccc(F)cc1 ZINC001605501048 1351172939 /nfs/dbraw/zinc/17/29/39/1351172939.db2.gz ZTYMXJOCXFXSRM-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC(c3cccc(Cl)c3)C2)n1 ZINC001605558466 1351190207 /nfs/dbraw/zinc/19/02/07/1351190207.db2.gz UVHYIURBHRBYPP-UHFFFAOYSA-N -1 1 327.779 2.222 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC(c3cccc(Cl)c3)C2)n1 ZINC001605558466 1351190209 /nfs/dbraw/zinc/19/02/09/1351190209.db2.gz UVHYIURBHRBYPP-UHFFFAOYSA-N -1 1 327.779 2.222 20 0 EEADMM Cc1cc(N2CCC[C@@](O)(c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605694262 1351215908 /nfs/dbraw/zinc/21/59/08/1351215908.db2.gz FTGUENGXNYWCMU-SFHVURJKSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1cc(N2CCC[C@@](O)(c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605694262 1351215910 /nfs/dbraw/zinc/21/59/10/1351215910.db2.gz FTGUENGXNYWCMU-SFHVURJKSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1ccc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c2c1CCC2 ZINC001605825451 1351229676 /nfs/dbraw/zinc/22/96/76/1351229676.db2.gz YJKGLJVAXHWRBW-UHFFFAOYSA-N -1 1 341.396 2.477 20 0 EEADMM Cc1ccc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c2c1CCC2 ZINC001605825451 1351229678 /nfs/dbraw/zinc/22/96/78/1351229678.db2.gz YJKGLJVAXHWRBW-UHFFFAOYSA-N -1 1 341.396 2.477 20 0 EEADMM CCc1nc([C@@H](C)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001605842661 1351233840 /nfs/dbraw/zinc/23/38/40/1351233840.db2.gz QHFUVSRXRNVIFW-NXEZZACHSA-N -1 1 335.433 2.462 20 0 EEADMM Cc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605867721 1351241958 /nfs/dbraw/zinc/24/19/58/1351241958.db2.gz VIQNMXJQKCIDDX-SECBINFHSA-N -1 1 330.339 2.054 20 0 EEADMM Cc1ccc(N2CCS[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605867721 1351241961 /nfs/dbraw/zinc/24/19/61/1351241961.db2.gz VIQNMXJQKCIDDX-SECBINFHSA-N -1 1 330.339 2.054 20 0 EEADMM Cc1ccc(NCCc2cnn(-c3ccccc3)c2)nc1-c1nn[n-]n1 ZINC001605874768 1351243113 /nfs/dbraw/zinc/24/31/13/1351243113.db2.gz QLFQXKGKADGRTD-UHFFFAOYSA-N -1 1 346.398 2.410 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2ccccc2[C@H]1C ZINC001606165428 1351280291 /nfs/dbraw/zinc/28/02/91/1351280291.db2.gz FMFHWBUUNGBZOP-SNVBAGLBSA-N -1 1 339.355 2.364 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2ccccc2[C@H]1C ZINC001606165428 1351280292 /nfs/dbraw/zinc/28/02/92/1351280292.db2.gz FMFHWBUUNGBZOP-SNVBAGLBSA-N -1 1 339.355 2.364 20 0 EEADMM CN(Cc1ccccc1)C1CN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001606168475 1351280956 /nfs/dbraw/zinc/28/09/56/1351280956.db2.gz OUKBTOIUDPBJBZ-UHFFFAOYSA-N -1 1 340.423 2.466 20 0 EEADMM CN(Cc1nnc[nH]1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001606178309 1351282387 /nfs/dbraw/zinc/28/23/87/1351282387.db2.gz BIVIYNARMDUPDG-UHFFFAOYSA-N -1 1 349.416 2.177 20 0 EEADMM Fc1cccc(-n2ccc(NCCOC3CCC3)n2)c1-c1nn[n-]n1 ZINC001606327569 1351293532 /nfs/dbraw/zinc/29/35/32/1351293532.db2.gz XRGFQKUEGMIWBR-UHFFFAOYSA-N -1 1 343.366 2.173 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC001606580525 1351325686 /nfs/dbraw/zinc/32/56/86/1351325686.db2.gz IXKYOSPJIDPSCF-VXGBXAGGSA-N -1 1 348.399 2.230 20 0 EEADMM COC(=O)c1oc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C ZINC001606636380 1351335695 /nfs/dbraw/zinc/33/56/95/1351335695.db2.gz KCNFVSUCVPJKDW-HNNXBMFYSA-N -1 1 329.352 2.386 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606682490 1351341778 /nfs/dbraw/zinc/34/17/78/1351341778.db2.gz FNBVHOVLKYKNIH-LLVKDONJSA-N -1 1 327.369 2.427 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606682490 1351341780 /nfs/dbraw/zinc/34/17/80/1351341780.db2.gz FNBVHOVLKYKNIH-LLVKDONJSA-N -1 1 327.369 2.427 20 0 EEADMM O=C(NCCc1cccc(F)c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606796345 1351357941 /nfs/dbraw/zinc/35/79/41/1351357941.db2.gz DYBQOYCBECJZPA-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1cccc(F)c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606796345 1351357942 /nfs/dbraw/zinc/35/79/42/1351357942.db2.gz DYBQOYCBECJZPA-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1csc(C2CC2)n1 ZINC001606831841 1351363712 /nfs/dbraw/zinc/36/37/12/1351363712.db2.gz DOSYQMDXGFZKOH-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1cccc2[nH]ccc21)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606835449 1351364481 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O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC001607017079 1351398387 /nfs/dbraw/zinc/39/83/87/1351398387.db2.gz NTGYAVDPMKMKKQ-ZWNOBZJWSA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1Cc2ccccc2C2(CCC2)C1 ZINC001607017309 1351398522 /nfs/dbraw/zinc/39/85/22/1351398522.db2.gz OSOPTJZXGHLMBN-UHFFFAOYSA-N -1 1 346.394 2.339 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1Cc2ccccc2C2(CCC2)C1 ZINC001607017309 1351398524 /nfs/dbraw/zinc/39/85/24/1351398524.db2.gz OSOPTJZXGHLMBN-UHFFFAOYSA-N -1 1 346.394 2.339 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1cccnc1Cl ZINC001607090710 1351414186 /nfs/dbraw/zinc/41/41/86/1351414186.db2.gz WARYDGBMEVIQTP-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3ccnc(-c4nn[n-]n4)n3)CC1)C2 ZINC001607132665 1351433991 /nfs/dbraw/zinc/43/39/91/1351433991.db2.gz QIJHZHSMIOBQAJ-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM COc1cc(OC)c(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC001607183727 1351444748 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1351674327 /nfs/dbraw/zinc/67/43/27/1351674327.db2.gz YYJCVUSGSVZGDT-UHFFFAOYSA-N -1 1 328.368 2.002 20 0 EEADMM O=C([O-])c1cc(CN2CCC(NC(=O)c3ccsc3)CC2)c[nH]1 ZINC001608410191 1351689218 /nfs/dbraw/zinc/68/92/18/1351689218.db2.gz JDEIEPGYBQEGPR-UHFFFAOYSA-N -1 1 333.413 2.169 20 0 EEADMM COc1ccccc1[C@@H](NC(=O)c1ccc([O-])cn1)c1nccn1C ZINC001623833538 1352406676 /nfs/dbraw/zinc/40/66/76/1352406676.db2.gz BQSNVKNSOZDNSZ-MRXNPFEDSA-N -1 1 338.367 2.049 20 0 EEADMM CSc1ncc(C(=O)Nc2ccnn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC001632410358 1352596896 /nfs/dbraw/zinc/59/68/96/1352596896.db2.gz LILIZWCHVXDSGH-UHFFFAOYSA-N -1 1 345.359 2.481 20 0 EEADMM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC[C@H](C)O)cc1 ZINC001647631640 1353354082 /nfs/dbraw/zinc/35/40/82/1353354082.db2.gz JHVALKRKMHYKBV-LBPRGKRZSA-N -1 1 336.413 2.289 20 0 EEADMM C[C@H](CCCC(=O)[O-])NCc1c(Cl)cccc1S(C)(=O)=O ZINC001649770561 1353592721 /nfs/dbraw/zinc/59/27/21/1353592721.db2.gz MZGWJMXDYIPJQO-SNVBAGLBSA-N -1 1 333.837 2.477 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CCCC2)C1 ZINC001388214789 1387260404 /nfs/dbraw/zinc/26/04/04/1387260404.db2.gz SHPVSMCFOHEWPK-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1ccn(-c2cccc(Br)c2)n1 ZINC001651044710 1354038113 /nfs/dbraw/zinc/03/81/13/1354038113.db2.gz VQKGNRGCCQBSMM-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)no1 ZINC001662397433 1354791044 /nfs/dbraw/zinc/79/10/44/1354791044.db2.gz NOUQNZLGRPTXTO-ZETCQYMHSA-N -1 1 325.321 2.303 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1c[nH]cc(Cl)c1=O ZINC001325234984 1368136825 /nfs/dbraw/zinc/13/68/25/1368136825.db2.gz YJIJJSQKOQHWKC-UHFFFAOYSA-N -1 1 344.552 2.144 20 0 EEADMM COc1cc([O-])c(C(=O)N(C)c2nc(Cl)ccc2N)c(OC)c1 ZINC001190110094 1368394926 /nfs/dbraw/zinc/39/49/26/1368394926.db2.gz GOTNWAWOSMBEFH-UHFFFAOYSA-N -1 1 337.763 2.317 20 0 EEADMM Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC001195202342 1368510128 /nfs/dbraw/zinc/51/01/28/1368510128.db2.gz 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EEADMM Cc1ccccc1CC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830840732 1372352597 /nfs/dbraw/zinc/35/25/97/1372352597.db2.gz LPIUKWISSKXJTK-OAHLLOKOSA-N -1 1 328.334 2.207 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@H](c2ccccc2F)C1)c1c[nH]nc1Cl ZINC000831364028 1372376262 /nfs/dbraw/zinc/37/62/62/1372376262.db2.gz MTFXDHRNUBAGHS-KYZUINATSA-N -1 1 329.784 2.427 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000848662377 1373165540 /nfs/dbraw/zinc/16/55/40/1373165540.db2.gz SNSIVPFTWOPBLA-GWNIPJSYSA-N -1 1 347.381 2.416 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ocnc2CC)n[n-]1 ZINC001362474029 1373419949 /nfs/dbraw/zinc/41/99/49/1373419949.db2.gz JLAXGUZSZQSPMJ-NSHDSACASA-N -1 1 349.391 2.049 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ocnc2CC)[n-]1 ZINC001362474029 1373419951 /nfs/dbraw/zinc/41/99/51/1373419951.db2.gz JLAXGUZSZQSPMJ-NSHDSACASA-N -1 1 349.391 2.049 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ocnc2CC)n1 ZINC001362474029 1373419962 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C[C@@]1(CNC(=O)CC2CCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001390271907 1388548914 /nfs/dbraw/zinc/54/89/14/1388548914.db2.gz KDJBOAGFHRDENO-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)NC(=O)c1ncccc1[O-] ZINC001376878357 1378824476 /nfs/dbraw/zinc/82/44/76/1378824476.db2.gz BCNJOAFWQVYJJC-GFCCVEGCSA-N -1 1 339.395 2.213 20 0 EEADMM CCCc1ccc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001377663674 1379415199 /nfs/dbraw/zinc/41/51/99/1379415199.db2.gz MAMFNRHGKYLSHH-NSHDSACASA-N -1 1 347.440 2.350 20 0 EEADMM CC[C@@H](CNC(=O)[C@@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001390563042 1388682972 /nfs/dbraw/zinc/68/29/72/1388682972.db2.gz GOMIYVCTHJIHSO-ZFWWWQNUSA-N -1 1 341.411 2.216 20 0 EEADMM CC1(C)C[C@@H]1C(=O)NC[C@@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380026985 1381005554 /nfs/dbraw/zinc/00/55/54/1381005554.db2.gz QADKMDWGXIYXNW-BFUOFWGJSA-N -1 1 345.443 2.192 20 0 EEADMM CCCC[C@](C)(F)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001380693683 1381342424 /nfs/dbraw/zinc/34/24/24/1381342424.db2.gz WWVOAHBJDPPPFH-PXAZEXFGSA-N -1 1 339.411 2.282 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(C)(F)F ZINC001383568540 1382561545 /nfs/dbraw/zinc/56/15/45/1382561545.db2.gz ZLDRFHAMVWJQHT-QWRGUYRKSA-N -1 1 343.374 2.236 20 0 EEADMM Cc1cc(C)cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001383838015 1382748610 /nfs/dbraw/zinc/74/86/10/1382748610.db2.gz OETZAAPKAPPJKD-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CCC(CC)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384147697 1382821818 /nfs/dbraw/zinc/82/18/18/1382821818.db2.gz ORRARCCCOBLKIM-TZMCWYRMSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](C)CC(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385469791 1385598773 /nfs/dbraw/zinc/59/87/73/1385598773.db2.gz VXHSOGAHMKJDCG-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001386243247 1386029383 /nfs/dbraw/zinc/02/93/83/1386029383.db2.gz RSUVJWGZBADANO-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CCCN(CCNC(=O)c1ccccc1)C(=O)c1ncccc1[O-] ZINC001387405406 1386710852 /nfs/dbraw/zinc/71/08/52/1386710852.db2.gz ZBDFYTPFLZVYJM-UHFFFAOYSA-N -1 1 327.384 2.069 20 0 EEADMM CC(C)c1occc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001391805837 1389616676 /nfs/dbraw/zinc/61/66/76/1389616676.db2.gz FTMMFWFIVBGIAL-UHFFFAOYSA-N -1 1 345.399 2.348 20 0 EEADMM CCC(CC)CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001392197278 1389890926 /nfs/dbraw/zinc/89/09/26/1389890926.db2.gz OMAANSJXFUOMGC-OCCSQVGLSA-N -1 1 337.468 2.053 20 0 EEADMM CCC1(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])CCCC1 ZINC001395657256 1390851741 /nfs/dbraw/zinc/85/17/41/1390851741.db2.gz XZYFZTFHFJOJKM-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001395947456 1390885495 /nfs/dbraw/zinc/88/54/95/1390885495.db2.gz JUTNKQMWTZYKHI-ZIAGYGMSSA-N -1 1 347.459 2.484 20 0 EEADMM CCN(C(=O)[C@@H](C)C(C)(F)F)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001396299714 1390935388 /nfs/dbraw/zinc/93/53/88/1390935388.db2.gz AAMRYBYIBJBHME-GHMZBOCLSA-N -1 1 343.374 2.045 20 0 EEADMM C[C@H](NC(=O)C(C)(C)F)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396883374 1390985448 /nfs/dbraw/zinc/98/54/48/1390985448.db2.gz XQQKOSDOIIONHJ-RYUDHWBXSA-N -1 1 337.395 2.035 20 0 EEADMM CCCCC(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001398381169 1392342674 /nfs/dbraw/zinc/34/26/74/1392342674.db2.gz PRLCQUHUNNMKCJ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753035136 1406619380 /nfs/dbraw/zinc/61/93/80/1406619380.db2.gz XCVQHPOATKJPQP-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM CC1(CC(=O)NC[C@@]2(C)CCCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001401024119 1396853463 /nfs/dbraw/zinc/85/34/63/1396853463.db2.gz RQNYTLPISSNIBI-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(C)c1F ZINC001425180531 1401485500 /nfs/dbraw/zinc/48/55/00/1401485500.db2.gz MXYIQTNZFARBGA-GFCCVEGCSA-N -1 1 349.410 2.036 20 0 EEADMM Cc1ccccc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001426218066 1401963414 /nfs/dbraw/zinc/96/34/14/1401963414.db2.gz IUCJRROPWMSOTQ-ZIAGYGMSSA-N -1 1 341.411 2.423 20 0 EEADMM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001426612764 1402118828 /nfs/dbraw/zinc/11/88/28/1402118828.db2.gz AQBIDWCNNKXGKQ-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC001426925827 1402255965 /nfs/dbraw/zinc/25/59/65/1402255965.db2.gz DHNNDUFZSBHKAU-QWHCGFSZSA-N -1 1 349.406 2.084 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001428781582 1402803874 /nfs/dbraw/zinc/80/38/74/1402803874.db2.gz HEMDAEAAFXMYBL-RBSFLKMASA-N -1 1 347.459 2.484 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001428864088 1402827198 /nfs/dbraw/zinc/82/71/98/1402827198.db2.gz KNOOWUCVVKARJK-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](NC(=O)CCC1CC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429971953 1402987149 /nfs/dbraw/zinc/98/71/49/1402987149.db2.gz HDUYGIFQVXAZLR-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001432555804 1403253063 /nfs/dbraw/zinc/25/30/63/1403253063.db2.gz OMVXIJYOVPJMJQ-SFHVURJKSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1ccncc1CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC001433845755 1403438403 /nfs/dbraw/zinc/43/84/03/1403438403.db2.gz BJMSLSCJTFZFLG-UHFFFAOYSA-N -1 1 337.376 2.082 20 0 EEADMM O=C(C[C@H]1C=CCCC1)NC1(CNCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001755352976 1407352437 /nfs/dbraw/zinc/35/24/37/1407352437.db2.gz URPIOGGLEKXLHA-AWEZNQCLSA-N -1 1 347.463 2.165 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1C ZINC001579483856 1403785046 /nfs/dbraw/zinc/78/50/46/1403785046.db2.gz PDTODYMYNWKOKO-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1C ZINC001579483856 1403785048 /nfs/dbraw/zinc/78/50/48/1403785048.db2.gz PDTODYMYNWKOKO-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@@H]2c2ccccc2)c(-c2nnn[n-]2)n1 ZINC001579483708 1403785068 /nfs/dbraw/zinc/78/50/68/1403785068.db2.gz LQHKPJWGFQPCFO-BXUZGUMPSA-N -1 1 336.355 2.016 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@@H]2c2ccccc2)c(-c2nn[n-]n2)n1 ZINC001579483708 1403785072 /nfs/dbraw/zinc/78/50/72/1403785072.db2.gz LQHKPJWGFQPCFO-BXUZGUMPSA-N -1 1 336.355 2.016 20 0 EEADMM COc1ccc2cc(CN(C)c3ccnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001580051158 1403817160 /nfs/dbraw/zinc/81/71/60/1403817160.db2.gz FCPDORHBAJWMAP-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COCC1(CCNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001591387914 1403909161 /nfs/dbraw/zinc/90/91/61/1403909161.db2.gz KGQKSZBFKVFBAX-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM COCC1(CCNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001591387914 1403909166 /nfs/dbraw/zinc/90/91/66/1403909166.db2.gz KGQKSZBFKVFBAX-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC001591890909 1403969247 /nfs/dbraw/zinc/96/92/47/1403969247.db2.gz OFBBTIPJCTUXST-RNCFNFMXSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2OCCc3sccc32)n1 ZINC001591890909 1403969256 /nfs/dbraw/zinc/96/92/56/1403969256.db2.gz OFBBTIPJCTUXST-RNCFNFMXSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC001591891167 1403969864 /nfs/dbraw/zinc/96/98/64/1403969864.db2.gz WQURFGDBPPYNKD-IINYFYTJSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC001591891167 1403969881 /nfs/dbraw/zinc/96/98/81/1403969881.db2.gz WQURFGDBPPYNKD-IINYFYTJSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c1-c1nnn[n-]1 ZINC001592480520 1404701426 /nfs/dbraw/zinc/70/14/26/1404701426.db2.gz YPZNYXLYVJRPNI-BMIGLBTASA-N -1 1 344.375 2.455 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c1-c1nn[n-]n1 ZINC001592480520 1404701432 /nfs/dbraw/zinc/70/14/32/1404701432.db2.gz YPZNYXLYVJRPNI-BMIGLBTASA-N -1 1 344.375 2.455 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cc(F)cc(F)c1 ZINC001592500849 1404704934 /nfs/dbraw/zinc/70/49/34/1404704934.db2.gz JGLPIJZCKAROCV-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cc(F)cc(F)c1 ZINC001592500849 1404704939 /nfs/dbraw/zinc/70/49/39/1404704939.db2.gz JGLPIJZCKAROCV-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Fc1nc2ccccc2nc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592662845 1404707681 /nfs/dbraw/zinc/70/76/81/1404707681.db2.gz KUXJBJFJIXLNMJ-UHFFFAOYSA-N -1 1 328.336 2.018 20 0 EEADMM Fc1nc2ccccc2nc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592662845 1404707694 /nfs/dbraw/zinc/70/76/94/1404707694.db2.gz KUXJBJFJIXLNMJ-UHFFFAOYSA-N -1 1 328.336 2.018 20 0 EEADMM O=C(C=Cc1ccccc1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592794265 1404723329 /nfs/dbraw/zinc/72/33/29/1404723329.db2.gz LYLUQRGTRULVCP-SREVYHEPSA-N -1 1 341.321 2.475 20 0 EEADMM O=C(C=Cc1ccccc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592794265 1404723332 /nfs/dbraw/zinc/72/33/32/1404723332.db2.gz LYLUQRGTRULVCP-SREVYHEPSA-N -1 1 341.321 2.475 20 0 EEADMM O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(-c2nnn[n-]2)s1 ZINC001593030606 1404736046 /nfs/dbraw/zinc/73/60/46/1404736046.db2.gz VRSNJBSEVGQRDK-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccc(-c2nn[n-]n2)s1 ZINC001593030606 1404736052 /nfs/dbraw/zinc/73/60/52/1404736052.db2.gz VRSNJBSEVGQRDK-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C)c3ccccc3n2)c1-c1nn[n-]n1 ZINC001606014741 1404754856 /nfs/dbraw/zinc/75/48/56/1404754856.db2.gz QEXCKDANEAHNID-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1nc(N[C@H](CC(C)C)C(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001606077912 1404762774 /nfs/dbraw/zinc/76/27/74/1404762774.db2.gz BUJWYTXYLMXMQB-GFCCVEGCSA-N -1 1 347.423 2.133 20 0 EEADMM Cc1nc(N[C@H](CC(C)C)C(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001606077912 1404762777 /nfs/dbraw/zinc/76/27/77/1404762777.db2.gz BUJWYTXYLMXMQB-GFCCVEGCSA-N -1 1 347.423 2.133 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@H]2CC23CCOCC3)c1 ZINC001606293003 1404780388 /nfs/dbraw/zinc/78/03/88/1404780388.db2.gz DAXVTMLZDOSWAS-JTQLQIEISA-N -1 1 340.309 2.262 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@H]2CC23CCOCC3)c1 ZINC001606293003 1404780393 /nfs/dbraw/zinc/78/03/93/1404780393.db2.gz DAXVTMLZDOSWAS-JTQLQIEISA-N -1 1 340.309 2.262 20 0 EEADMM CC(=O)c1ccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC001646193082 1404881568 /nfs/dbraw/zinc/88/15/68/1404881568.db2.gz WTUGLLOYSDRWKC-UHFFFAOYSA-N -1 1 325.368 2.445 20 0 EEADMM O=C1NCc2ccc([N-]S(=O)(=O)c3cccc4cnccc43)cc21 ZINC000119845951 1404914277 /nfs/dbraw/zinc/91/42/77/1404914277.db2.gz QDOOKOFVKVEMAS-UHFFFAOYSA-N -1 1 339.376 2.279 20 0 EEADMM CCC[C@H](N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000185047073 1406054701 /nfs/dbraw/zinc/05/47/01/1406054701.db2.gz XCDHACRKKOALNY-WBMJQRKESA-N -1 1 331.416 2.058 20 0 EEADMM C/C=C(\C)C(=O)N(C)[C@@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001756052669 1408107252 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C[C@@H](CNc1nc(C2CCC2)ns1)N(C)C(=O)c1ncccc1[O-] ZINC001104536724 761715499 /nfs/dbraw/zinc/71/54/99/761715499.db2.gz UQTALYYHBPEJGS-JTQLQIEISA-N -1 1 347.444 2.479 20 0 EEADMM Cc1cc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)ncn1 ZINC001125856997 764972839 /nfs/dbraw/zinc/97/28/39/764972839.db2.gz HDMCCYFCUJSEPT-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C(=O)NCc1ccccc1 ZINC000920463967 770714764 /nfs/dbraw/zinc/71/47/64/770714764.db2.gz XUPZGHBIDTYDOV-LLVKDONJSA-N -1 1 332.787 2.480 20 0 EEADMM C[C@@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979675719 770833967 /nfs/dbraw/zinc/83/39/67/770833967.db2.gz UNCSVZHPTMTTKH-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1ncc(C2CC2)o1)c1ncccc1[O-] ZINC001027842933 773397122 /nfs/dbraw/zinc/39/71/22/773397122.db2.gz AWEFKELXGXKBQL-ZDUSSCGKSA-N -1 1 342.399 2.047 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000942758242 783145878 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Cc1nc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)oc1C ZINC000993247630 796167619 /nfs/dbraw/zinc/16/76/19/796167619.db2.gz KZFARCXVBGNKRU-TZMCWYRMSA-N -1 1 344.415 2.175 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nccs1 ZINC000993248427 796168468 /nfs/dbraw/zinc/16/84/68/796168468.db2.gz MHPWZNXHZSAPNN-VXGBXAGGSA-N -1 1 332.429 2.027 20 0 EEADMM Cc1cncc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)c1 ZINC000993248146 796169050 /nfs/dbraw/zinc/16/90/50/796169050.db2.gz LKFMNQNGOMDINM-GOEBONIOSA-N -1 1 340.427 2.274 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3c(c2)NC(=O)C3)c1 ZINC000785781705 806584482 /nfs/dbraw/zinc/58/44/82/806584482.db2.gz REGYMCGQFWLHPK-UHFFFAOYSA-N -1 1 339.347 2.489 20 0 EEADMM CN(C)c1nc(Nc2cnn([C@@H]3CCCCO3)c2)c(N=O)c(=O)[n-]1 ZINC001174598372 797819907 /nfs/dbraw/zinc/81/99/07/797819907.db2.gz JHJBNDFFHHUARG-JTQLQIEISA-N -1 1 333.352 2.285 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CC1CCC1)C(=O)c1ncccc1[O-] ZINC001002320775 797878970 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Cc1cc(C)c(NC(=O)[C@H]2CCc3nc[nH]c3C2)c(S(=O)(=O)[O-])c1 ZINC001177178656 798797868 /nfs/dbraw/zinc/79/78/68/798797868.db2.gz VNGVHALFXSPYLY-NSHDSACASA-N -1 1 349.412 2.017 20 0 EEADMM CCCC(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003107394 799225382 /nfs/dbraw/zinc/22/53/82/799225382.db2.gz VGFGHSILXSUYKY-CABCVRRESA-N -1 1 345.443 2.288 20 0 EEADMM CN(C)c1nc(NC(=O)C(C)(C)Cc2cccnc2)c(N=O)c(=O)[n-]1 ZINC001178058992 799239422 /nfs/dbraw/zinc/23/94/22/799239422.db2.gz WCDXHAWSHDWCBV-UHFFFAOYSA-N -1 1 344.375 2.249 20 0 EEADMM C[C@@H]1C[C@H]1CC(=O)NC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001003559910 799824774 /nfs/dbraw/zinc/82/47/74/799824774.db2.gz UCLUKYJVHYBRBD-OCCSQVGLSA-N -1 1 344.459 2.186 20 0 EEADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)C1CCC(C(F)(F)F)CC1 ZINC001179835688 800123829 /nfs/dbraw/zinc/12/38/29/800123829.db2.gz KMEMOMZVBISBHV-UHFFFAOYSA-N -1 1 345.281 2.023 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1OC ZINC000824288085 800259394 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O=S(=O)([N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(F)nc1F ZINC000866990943 803683793 /nfs/dbraw/zinc/68/37/93/803683793.db2.gz DZULMRYGTLQJKI-BYCMXARLSA-N -1 1 336.363 2.367 20 0 EEADMM Nc1c(I)cnn1-c1ccc(Cl)c([O-])c1 ZINC001212588138 803695954 /nfs/dbraw/zinc/69/59/54/803695954.db2.gz GNKWRJGWSQQJKY-UHFFFAOYSA-N -1 1 335.532 2.418 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC[C@H]1CCCO1 ZINC000787679065 807189693 /nfs/dbraw/zinc/18/96/93/807189693.db2.gz NAYREPVFGQUUBN-CYBMUJFWSA-N -1 1 333.388 2.097 20 0 EEADMM CC(C)c1nccc(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112982689 807785809 /nfs/dbraw/zinc/78/58/09/807785809.db2.gz ANIDOWQMLAQQIW-VXGBXAGGSA-N -1 1 329.404 2.320 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1nc(C2CC2)ns1 ZINC001112983241 807786492 /nfs/dbraw/zinc/78/64/92/807786492.db2.gz HSEZCYXQVPKQQM-RKDXNWHRSA-N -1 1 333.417 2.135 20 0 EEADMM Cc1noc(C[N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)n1 ZINC000790444915 808712848 /nfs/dbraw/zinc/71/28/48/808712848.db2.gz NAACOOYOGTVTMY-UHFFFAOYSA-N -1 1 344.805 2.120 20 0 EEADMM Cc1cc(C)n(-c2ccc(C(=O)N=c3ccnc4n(C)[n-]cc3-4)cc2)n1 ZINC000791165088 809098341 /nfs/dbraw/zinc/09/83/41/809098341.db2.gz ASTQTRTZFPVFIG-UHFFFAOYSA-N -1 1 346.394 2.397 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3csc(-c4ccoc4)n3)ccnc1-2 ZINC000791165835 809098865 /nfs/dbraw/zinc/09/88/65/809098865.db2.gz FNZDGDFHSPTLIY-UHFFFAOYSA-N -1 1 325.353 2.311 20 0 EEADMM Cc1nc(C(F)(F)F)ccc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170219691 809821576 /nfs/dbraw/zinc/82/15/76/809821576.db2.gz UBNSNOAIRRNFHH-UHFFFAOYSA-N -1 1 326.238 2.182 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(Cl)nc(-c3cccnc3)n2)[n-]1 ZINC001170226985 809845748 /nfs/dbraw/zinc/84/57/48/809845748.db2.gz GFNCCKMFXXLXKW-UHFFFAOYSA-N -1 1 340.734 2.308 20 0 EEADMM COCCc1ccnc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000804390030 810832451 /nfs/dbraw/zinc/83/24/51/810832451.db2.gz UFOGENADQWEZMB-UHFFFAOYSA-N -1 1 330.388 2.450 20 0 EEADMM COC(=O)CCCc1csc(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000807043673 812057153 /nfs/dbraw/zinc/05/71/53/812057153.db2.gz DPJKMADXVHSINT-UHFFFAOYSA-N -1 1 348.380 2.166 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000808096504 812456057 /nfs/dbraw/zinc/45/60/57/812456057.db2.gz NBGKRQMSHWDQIM-UHFFFAOYSA-N -1 1 344.343 2.037 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000901464862 939280992 /nfs/dbraw/zinc/28/09/92/939280992.db2.gz OFQBIXRQTFBQJS-GOSISDBHSA-N -1 1 326.396 2.103 20 0 EEADMM CC(C)(C)c1cc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000322408309 970884197 /nfs/dbraw/zinc/88/41/97/970884197.db2.gz RGDAQQMIMRGATC-UHFFFAOYSA-N -1 1 337.401 2.347 20 0 EEADMM CC(=O)c1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1 ZINC001573556901 946931840 /nfs/dbraw/zinc/93/18/40/946931840.db2.gz YRFJHIZRDPKSED-UHFFFAOYSA-N -1 1 348.366 2.057 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Cl)c1 ZINC000825826109 947341917 /nfs/dbraw/zinc/34/19/17/947341917.db2.gz WSWSMLLZFAIZON-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM 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O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H]1c1ccccc1 ZINC000647759059 470977516 /nfs/dbraw/zinc/97/75/16/470977516.db2.gz SUAPZEBGZJTPCM-CWRNSKLLSA-N -1 1 339.395 2.156 20 0 EEADMM CSc1nc(CNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)cc(=O)[n-]1 ZINC000640657058 470988162 /nfs/dbraw/zinc/98/81/62/470988162.db2.gz ZOWSMMFSDVDEKG-SNVBAGLBSA-N -1 1 347.444 2.310 20 0 EEADMM CCCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)n[nH]1 ZINC000644630595 471000772 /nfs/dbraw/zinc/00/07/72/471000772.db2.gz SCYGLBPCWBYJEM-LSDHHAIUSA-N -1 1 327.384 2.303 20 0 EEADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cnn2c1OCCC2 ZINC000647923864 471017539 /nfs/dbraw/zinc/01/75/39/471017539.db2.gz YLQHXFGMQWAHSR-UHFFFAOYSA-N -1 1 349.746 2.398 20 0 EEADMM O=C(CCc1nc2ccccc2o1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000644883717 471079533 /nfs/dbraw/zinc/07/95/33/471079533.db2.gz WISZOAUSJRPKSQ-LLVKDONJSA-N -1 1 342.355 2.255 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)nn1[C@H](C)C1CC1 ZINC000644883975 471080006 /nfs/dbraw/zinc/08/00/06/471080006.db2.gz KRQFJWWMNTZOOJ-DGCLKSJQSA-N -1 1 345.403 2.271 20 0 EEADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)s1 ZINC000651711450 471092425 /nfs/dbraw/zinc/09/24/25/471092425.db2.gz JHAGAYXEFSUEQQ-UHFFFAOYSA-N -1 1 335.813 2.372 20 0 EEADMM CC1(C)CCC[N@@H+](CCNC(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000666564259 471448850 /nfs/dbraw/zinc/44/88/50/471448850.db2.gz VKGDEEXOWPGNBM-UHFFFAOYSA-N -1 1 333.432 2.306 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)N(C)C)c1 ZINC000653297518 471573513 /nfs/dbraw/zinc/57/35/13/471573513.db2.gz UMYCEXBDRBCGED-LPHOPBHVSA-N -1 1 346.427 2.225 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C[C@H]1C ZINC000659417204 471617500 /nfs/dbraw/zinc/61/75/00/471617500.db2.gz WEKHKALNIIHXCR-KFWWJZLASA-N -1 1 327.469 2.248 20 0 EEADMM C[C@H](CNc1c(C(=O)[O-])c[nH+]c2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653501695 471642296 /nfs/dbraw/zinc/64/22/96/471642296.db2.gz FQZVVHZQBQGDFN-MCIONIFRSA-N -1 1 343.427 2.265 20 0 EEADMM CN(CC[C@@H]1CCc2ccccc21)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000659787677 471742412 /nfs/dbraw/zinc/74/24/12/471742412.db2.gz AOSVXFMDZHGTIS-INIZCTEOSA-N -1 1 344.455 2.362 20 0 EEADMM COCCc1ccnc([N-]S(=O)(=O)CCc2ccc(F)cc2)c1 ZINC000656736802 471827863 /nfs/dbraw/zinc/82/78/63/471827863.db2.gz DIKYWBFBWRKMNP-UHFFFAOYSA-N -1 1 338.404 2.394 20 0 EEADMM CC(C)(C)n1nnc(CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000654088452 471834865 /nfs/dbraw/zinc/83/48/65/471834865.db2.gz OPNVVBSBCLBBFM-UHFFFAOYSA-N -1 1 325.372 2.217 20 0 EEADMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000660097301 471859401 /nfs/dbraw/zinc/85/94/01/471859401.db2.gz LPLIOWZTXNXQJE-SECBINFHSA-N -1 1 338.351 2.194 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)c1ccc(C)o1 ZINC000656924910 471896623 /nfs/dbraw/zinc/89/66/23/471896623.db2.gz ODUPQDLLTFNWFS-GOEBONIOSA-N -1 1 345.461 2.400 20 0 EEADMM C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C(=O)N1CCCC[C@@H]1C ZINC000668701856 472233431 /nfs/dbraw/zinc/23/34/31/472233431.db2.gz ZLSVPACEOOWKNW-QWHCGFSZSA-N -1 1 341.411 2.460 20 0 EEADMM CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)[C@@H](C)C(=O)[O-] ZINC000663126391 472366830 /nfs/dbraw/zinc/36/68/30/472366830.db2.gz WSJCIZCOSNNIHI-JTQLQIEISA-N -1 1 347.371 2.029 20 0 EEADMM Cn1nc(C(F)(F)F)cc1CN[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000663259428 472426343 /nfs/dbraw/zinc/42/63/43/472426343.db2.gz ATDUPQQLNQNYAB-GFCCVEGCSA-N -1 1 329.278 2.060 20 0 EEADMM CCC[C@](C)(NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(=O)[O-] ZINC000663270632 472434222 /nfs/dbraw/zinc/43/42/22/472434222.db2.gz DDFALFMYACFULI-YJBOKZPZSA-N -1 1 333.432 2.204 20 0 EEADMM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000678822114 485511327 /nfs/dbraw/zinc/51/13/27/485511327.db2.gz CCKNKLXIBCZLMT-UHFFFAOYSA-N -1 1 325.390 2.222 20 0 EEADMM CCc1noc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)n1 ZINC000683686939 485606427 /nfs/dbraw/zinc/60/64/27/485606427.db2.gz RAXRJQHIYJUZKC-UHFFFAOYSA-N -1 1 336.348 2.135 20 0 EEADMM CCc1noc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)n1 ZINC000683686939 485606433 /nfs/dbraw/zinc/60/64/33/485606433.db2.gz RAXRJQHIYJUZKC-UHFFFAOYSA-N -1 1 336.348 2.135 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CC(C)C)c1F ZINC000599266075 485621867 /nfs/dbraw/zinc/62/18/67/485621867.db2.gz NABTWCNKOHIYEX-SECBINFHSA-N -1 1 335.372 2.464 20 0 EEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3n[nH]cc31)OCO2 ZINC000684558303 485923359 /nfs/dbraw/zinc/92/33/59/485923359.db2.gz GDGQWSJTWSRAGX-UHFFFAOYSA-N -1 1 331.353 2.401 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000680808810 486051911 /nfs/dbraw/zinc/05/19/11/486051911.db2.gz LEOBPQRMSSSRKX-UHFFFAOYSA-N -1 1 344.396 2.292 20 0 EEADMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc([O-])c(F)c1 ZINC000681016804 486114393 /nfs/dbraw/zinc/11/43/93/486114393.db2.gz ICOZJENLOUEXOK-QGZVFWFLSA-N -1 1 344.386 2.335 20 0 EEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([O-])c(F)c1 ZINC000681018680 486114476 /nfs/dbraw/zinc/11/44/76/486114476.db2.gz IMGDGANSCAAYTI-UHFFFAOYSA-N -1 1 344.342 2.256 20 0 EEADMM CN(C)C(=O)COc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681020254 486115983 /nfs/dbraw/zinc/11/59/83/486115983.db2.gz YRWXSRFDZFSLQB-UHFFFAOYSA-N -1 1 332.331 2.251 20 0 EEADMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)c(N2CCCC2)n1 ZINC000673063646 486265600 /nfs/dbraw/zinc/26/56/00/486265600.db2.gz DJVNRPRYXBBUIS-UHFFFAOYSA-N -1 1 339.395 2.195 20 0 EEADMM O=S(=O)([N-]CC1(CO)CCCCC1)c1cc(F)c(F)cc1F ZINC000676864586 486330030 /nfs/dbraw/zinc/33/00/30/486330030.db2.gz BGGXPWTVOOCEFG-UHFFFAOYSA-N -1 1 337.363 2.325 20 0 EEADMM Cc1nc(-c2ccc(N3CC[C@H](O)C(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000682080611 486418172 /nfs/dbraw/zinc/41/81/72/486418172.db2.gz NDNJVIDLETXDSW-AWEZNQCLSA-N -1 1 328.416 2.458 20 0 EEADMM CC(C)=CCOc1cccc(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000416204877 527449144 /nfs/dbraw/zinc/44/91/44/527449144.db2.gz PTYMTXKZEORVNF-AWEZNQCLSA-N -1 1 343.431 2.349 20 0 EEADMM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000183428514 528183559 /nfs/dbraw/zinc/18/35/59/528183559.db2.gz NXYOHTFSDXUIRO-STQMWFEESA-N -1 1 331.420 2.353 20 0 EEADMM CCCCOc1cccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000164550078 528692133 /nfs/dbraw/zinc/69/21/33/528692133.db2.gz LFHZJZKLRJKQHF-MRXNPFEDSA-N -1 1 348.443 2.278 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCc4n[nH]cc4C3)c12 ZINC000738363449 578010777 /nfs/dbraw/zinc/01/07/77/578010777.db2.gz GVULCYYTQIGJAA-SNVBAGLBSA-N -1 1 343.412 2.121 20 0 EEADMM c1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CCO2 ZINC000738442445 578015424 /nfs/dbraw/zinc/01/54/24/578015424.db2.gz NYHQSKZFGUBWEJ-UHFFFAOYSA-N -1 1 345.366 2.209 20 0 EEADMM c1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CCO2 ZINC000738442445 578015425 /nfs/dbraw/zinc/01/54/25/578015425.db2.gz NYHQSKZFGUBWEJ-UHFFFAOYSA-N -1 1 345.366 2.209 20 0 EEADMM Fc1cccc(N2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737661841 576289585 /nfs/dbraw/zinc/28/95/85/576289585.db2.gz QKAOGGIFNZVCMA-CYBMUJFWSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1cccc(N2CCC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737661841 576289588 /nfs/dbraw/zinc/28/95/88/576289588.db2.gz QKAOGGIFNZVCMA-CYBMUJFWSA-N -1 1 339.378 2.482 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](CCO)C1 ZINC000738520042 576531968 /nfs/dbraw/zinc/53/19/68/576531968.db2.gz UNTOHHZXAYYZHD-ZIAGYGMSSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)c21 ZINC000728962423 576567096 /nfs/dbraw/zinc/56/70/96/576567096.db2.gz AKIVQBCHKJIJQH-GOSISDBHSA-N -1 1 346.394 2.438 20 0 EEADMM O=C(c1ccc2ccccc2c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157475 577319846 /nfs/dbraw/zinc/31/98/46/577319846.db2.gz KAJIIUOHCGZOMY-AWEZNQCLSA-N -1 1 325.397 2.283 20 0 EEADMM COc1ccc(-n2nnc(C(=O)[N-]c3nc(C4CC4)no3)c2C)cc1 ZINC000734874174 577332752 /nfs/dbraw/zinc/33/27/52/577332752.db2.gz ABXZFEIAGACFSK-UHFFFAOYSA-N -1 1 340.343 2.097 20 0 EEADMM COc1ccc2cc([C@H](C)C(=O)OCc3nc(=O)n(C)[n-]3)ccc2c1 ZINC000765418128 577500661 /nfs/dbraw/zinc/50/06/61/577500661.db2.gz BYIKBSKQUKPNAY-NSHDSACASA-N -1 1 341.367 2.117 20 0 EEADMM O=C(NCc1nc(Cc2ccccc2)no1)c1ccc([O-])c(F)c1 ZINC000767333778 577534960 /nfs/dbraw/zinc/53/49/60/577534960.db2.gz VXAXTKPHPGDAII-UHFFFAOYSA-N -1 1 327.315 2.435 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1c([O-])cccc1Cl ZINC000770018331 577589060 /nfs/dbraw/zinc/58/90/60/577589060.db2.gz YFRXSIOARKEPDR-ZIAGYGMSSA-N -1 1 338.835 2.419 20 0 EEADMM COc1cc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)ccc1OCCO ZINC000759509459 577644494 /nfs/dbraw/zinc/64/44/94/577644494.db2.gz JNFNAHNVWRAXDU-QMMMGPOBSA-N -1 1 339.285 2.144 20 0 EEADMM CN1CCCc2ccc(S(=O)(=O)[N-]c3cc(C4CC4)n[nH]3)cc21 ZINC000761841343 577689978 /nfs/dbraw/zinc/68/99/78/577689978.db2.gz GFWMSYHUHLJDKG-UHFFFAOYSA-N -1 1 332.429 2.470 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(Cl)cc1 ZINC000750938184 577745562 /nfs/dbraw/zinc/74/55/62/577745562.db2.gz SYULXJXTLQORCO-UHFFFAOYSA-N -1 1 344.776 2.316 20 0 EEADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC[C@@H]1CCCO1 ZINC000751732685 577758556 /nfs/dbraw/zinc/75/85/56/577758556.db2.gz SYKSHQQUIIQNAR-SCZZXKLOSA-N -1 1 345.754 2.025 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@H](C)c1ccncc1 ZINC000757705395 577862837 /nfs/dbraw/zinc/86/28/37/577862837.db2.gz SYAVGCJJGGOHRT-GFCCVEGCSA-N -1 1 326.356 2.294 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000747202011 577940757 /nfs/dbraw/zinc/94/07/57/577940757.db2.gz RVWAAZICZYOOQV-UHFFFAOYSA-N -1 1 343.387 2.035 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000747605716 577946802 /nfs/dbraw/zinc/94/68/02/577946802.db2.gz KCDFKJBZEWJOFP-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=S)NC[C@@H]2CCOC2)CC1 ZINC000749665216 577979576 /nfs/dbraw/zinc/97/95/76/577979576.db2.gz UFEOOFLRFYRMPX-ZDUSSCGKSA-N -1 1 348.468 2.198 20 0 EEADMM Cc1cnc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000738803472 578027369 /nfs/dbraw/zinc/02/73/69/578027369.db2.gz SFBSLRWOMMLBJU-CYBMUJFWSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1C(=O)[O-] ZINC000738968861 578033079 /nfs/dbraw/zinc/03/30/79/578033079.db2.gz FBLFCZRQDWGBRI-UHFFFAOYSA-N -1 1 337.357 2.063 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000739373824 578050817 /nfs/dbraw/zinc/05/08/17/578050817.db2.gz KOXLOVSFCCLZOO-HOTGVXAUSA-N -1 1 328.412 2.193 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736135597 578182471 /nfs/dbraw/zinc/18/24/71/578182471.db2.gz CETVCHYBQALCKZ-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ncc(-c2ccccc2)o1 ZINC000736135597 578182472 /nfs/dbraw/zinc/18/24/72/578182472.db2.gz CETVCHYBQALCKZ-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000736139629 578182864 /nfs/dbraw/zinc/18/28/64/578182864.db2.gz VPXUDEFOPFOZRM-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000736139629 578182865 /nfs/dbraw/zinc/18/28/65/578182865.db2.gz VPXUDEFOPFOZRM-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM CCC1CC[NH+]([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736408914 578201771 /nfs/dbraw/zinc/20/17/71/578201771.db2.gz LAAPXVGMPWNDOZ-OAHLLOKOSA-N -1 1 329.404 2.203 20 0 EEADMM CCOc1cc(F)ccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736624568 578215400 /nfs/dbraw/zinc/21/54/00/578215400.db2.gz DKVJEVLPDFAZSS-UHFFFAOYSA-N -1 1 334.355 2.149 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN(C)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736878076 578227986 /nfs/dbraw/zinc/22/79/86/578227986.db2.gz LDMKBQGGWQQRJV-LRDDRELGSA-N -1 1 340.851 2.430 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCN1CCOC ZINC000736936893 578230309 /nfs/dbraw/zinc/23/03/09/578230309.db2.gz CPLZLBJCQBTYBR-CQSZACIVSA-N -1 1 349.431 2.268 20 0 EEADMM CCC[C@@](C)(NCC(=O)N[C@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000736965179 578231641 /nfs/dbraw/zinc/23/16/41/578231641.db2.gz UFKAOVJUHQPOBU-PIGZYNQJSA-N -1 1 342.386 2.245 20 0 EEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737103239 578238143 /nfs/dbraw/zinc/23/81/43/578238143.db2.gz DIYCJNGETKVGBP-MRXNPFEDSA-N -1 1 348.418 2.361 20 0 EEADMM COc1ccccc1[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737148262 578240849 /nfs/dbraw/zinc/24/08/49/578240849.db2.gz PRINVCCAKCINGV-LLVKDONJSA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccccc1[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737148262 578240850 /nfs/dbraw/zinc/24/08/50/578240850.db2.gz PRINVCCAKCINGV-LLVKDONJSA-N -1 1 346.778 2.069 20 0 EEADMM CCc1[nH]c(C(=O)Nc2cnn(-c3ccncc3)c2)c(C)c1C(=O)[O-] ZINC000737245907 578245756 /nfs/dbraw/zinc/24/57/56/578245756.db2.gz NXOLQTGSUZJLBZ-UHFFFAOYSA-N -1 1 339.355 2.417 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000737548830 578263430 /nfs/dbraw/zinc/26/34/30/578263430.db2.gz SESKZXMSNIUCNQ-RYUDHWBXSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000737548830 578263431 /nfs/dbraw/zinc/26/34/31/578263431.db2.gz SESKZXMSNIUCNQ-RYUDHWBXSA-N -1 1 338.371 2.183 20 0 EEADMM Clc1cccc(C2(CNc3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737576075 578265340 /nfs/dbraw/zinc/26/53/40/578265340.db2.gz TTYQWIGWKYLPNM-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1cccc(C2(CNc3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737576075 578265341 /nfs/dbraw/zinc/26/53/41/578265341.db2.gz TTYQWIGWKYLPNM-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccccc1-n1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC000737584398 578265643 /nfs/dbraw/zinc/26/56/43/578265643.db2.gz PTCJQAIKOADLEZ-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccccc1-n1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC000737584398 578265644 /nfs/dbraw/zinc/26/56/44/578265644.db2.gz PTCJQAIKOADLEZ-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820269281 599211540 /nfs/dbraw/zinc/21/15/40/599211540.db2.gz ITZZNKGTSLFXST-SECBINFHSA-N -1 1 344.325 2.073 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820269281 599211542 /nfs/dbraw/zinc/21/15/42/599211542.db2.gz ITZZNKGTSLFXST-SECBINFHSA-N -1 1 344.325 2.073 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000819557429 596926006 /nfs/dbraw/zinc/92/60/06/596926006.db2.gz LUGFFZIRXPYIKF-UHFFFAOYSA-N -1 1 328.372 2.448 20 0 EEADMM CCn1cnnc1-c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821566744 607313109 /nfs/dbraw/zinc/31/31/09/607313109.db2.gz RRKBGVMVFOFWNA-UHFFFAOYSA-N -1 1 336.359 2.350 20 0 EEADMM CCn1cnnc1-c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821566744 607313110 /nfs/dbraw/zinc/31/31/10/607313110.db2.gz RRKBGVMVFOFWNA-UHFFFAOYSA-N -1 1 336.359 2.350 20 0 EEADMM C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CC[C@H](C(=O)[O-])C1 ZINC000817744401 597535768 /nfs/dbraw/zinc/53/57/68/597535768.db2.gz ZUPVUUKMRJKCDT-BDAKNGLRSA-N -1 1 337.376 2.169 20 0 EEADMM Cc1ccc(N2CCOC2=O)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822242451 607318891 /nfs/dbraw/zinc/31/88/91/607318891.db2.gz LKYMIGBGLFMDES-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM Cc1ccc(N2CCOC2=O)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822242451 607318892 /nfs/dbraw/zinc/31/88/92/607318892.db2.gz LKYMIGBGLFMDES-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(C(=O)[O-])c2)NC(=S)N1 ZINC000820221375 598201814 /nfs/dbraw/zinc/20/18/14/598201814.db2.gz NSCFAFHJPVFKAB-CYBMUJFWSA-N -1 1 334.397 2.129 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000147553489 599777413 /nfs/dbraw/zinc/77/74/13/599777413.db2.gz VCNVIADHZKXLHR-KRWDZBQOSA-N -1 1 349.390 2.354 20 0 EEADMM CCCCOc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000059140497 599777498 /nfs/dbraw/zinc/77/74/98/599777498.db2.gz CBHUKOJHNDNESH-HNNXBMFYSA-N -1 1 331.372 2.014 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000392592678 599824684 /nfs/dbraw/zinc/82/46/84/599824684.db2.gz LZGDAKUEMYIIRB-UHFFFAOYSA-N -1 1 331.416 2.263 20 0 EEADMM NC(=O)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000833082109 600981643 /nfs/dbraw/zinc/98/16/43/600981643.db2.gz ZXXZUKKMAQNEMV-LBPRGKRZSA-N -1 1 331.199 2.316 20 0 EEADMM Cc1ccc2c(CN3CCSC[C@H]3CC(=O)[O-])cc(=O)oc2c1 ZINC000320384252 601017282 /nfs/dbraw/zinc/01/72/82/601017282.db2.gz WCKQHYCQHLVFKB-CYBMUJFWSA-N -1 1 333.409 2.494 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000827373863 601099484 /nfs/dbraw/zinc/09/94/84/601099484.db2.gz AHCALKDDAYXFIN-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM C/C(=C/CN1CCN(CCOc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000825741047 601155160 /nfs/dbraw/zinc/15/51/60/601155160.db2.gz HMSSQCBDIOCMFQ-NSIKDUERSA-N -1 1 338.835 2.367 20 0 EEADMM CCc1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000830254263 601338126 /nfs/dbraw/zinc/33/81/26/601338126.db2.gz WZIAGAMEZUHYGL-ZDUSSCGKSA-N -1 1 335.473 2.427 20 0 EEADMM Cc1cccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C ZINC000832971273 601338363 /nfs/dbraw/zinc/33/83/63/601338363.db2.gz UZHTUXWOSVDSFP-ZDUSSCGKSA-N -1 1 335.473 2.481 20 0 EEADMM CCCCC[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000829339140 601404743 /nfs/dbraw/zinc/40/47/43/601404743.db2.gz DMMGPBYRZMTLFG-LLVKDONJSA-N -1 1 339.335 2.416 20 0 EEADMM CC[C@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829125979 601497826 /nfs/dbraw/zinc/49/78/26/601497826.db2.gz RMSIPXSGCGUDHW-RYUDHWBXSA-N -1 1 348.399 2.230 20 0 EEADMM C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425322 601518657 /nfs/dbraw/zinc/51/86/57/601518657.db2.gz YRBOGXNUNZGHND-FXPVBKGRSA-N -1 1 328.771 2.459 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000828717831 601542727 /nfs/dbraw/zinc/54/27/27/601542727.db2.gz KQGXYFOTMWHCGR-FNHZYXHNSA-N -1 1 332.444 2.266 20 0 EEADMM CN(CCn1ccccc1=O)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830800773 601899455 /nfs/dbraw/zinc/89/94/55/601899455.db2.gz ZGPNOCCPIVXNFJ-HNNXBMFYSA-N -1 1 340.301 2.023 20 0 EEADMM O=C([O-])c1cccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000821446588 602044538 /nfs/dbraw/zinc/04/45/38/602044538.db2.gz YMJXXQZATXWKQC-UHFFFAOYSA-N -1 1 337.339 2.287 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@H](C)CC(=O)[O-])N2CCCC2)c1 ZINC000832533127 602075199 /nfs/dbraw/zinc/07/51/99/602075199.db2.gz IMNRZJIQRUJOIJ-CJNGLKHVSA-N -1 1 334.416 2.059 20 0 EEADMM CC(=O)N(c1nc(CN[C@H](C(=O)[O-])C(C)(C)C)cs1)C1CC1 ZINC000825823994 602226188 /nfs/dbraw/zinc/22/61/88/602226188.db2.gz YQIYOSVTKMNOEX-GFCCVEGCSA-N -1 1 325.434 2.247 20 0 EEADMM C[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000827469857 604482754 /nfs/dbraw/zinc/48/27/54/604482754.db2.gz JRXAVQKUDGTRRU-RHSMWYFYSA-N -1 1 345.443 2.082 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)C3CCC(C(=O)[O-])CC3)[nH]c21 ZINC000833716581 604504718 /nfs/dbraw/zinc/50/47/18/604504718.db2.gz MTIOKSGXBAAJKX-UHFFFAOYSA-N -1 1 345.355 2.179 20 0 EEADMM CCN(CCC(=O)[O-])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000829704716 604671205 /nfs/dbraw/zinc/67/12/05/604671205.db2.gz GAUDRMOBSROBRX-UHFFFAOYSA-N -1 1 329.278 2.451 20 0 EEADMM O=C([O-])c1occc1CNc1ccc(CCN2CCOCC2)cc1 ZINC000833785488 604776747 /nfs/dbraw/zinc/77/67/47/604776747.db2.gz YFMRVFMNGWXGOQ-UHFFFAOYSA-N -1 1 330.384 2.465 20 0 EEADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(N2CCOCC2)c1 ZINC000832935145 605007557 /nfs/dbraw/zinc/00/75/57/605007557.db2.gz WNKXJKXRZYECGQ-SFHVURJKSA-N -1 1 341.411 2.142 20 0 EEADMM CC(C)CCC[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833481321 605043670 /nfs/dbraw/zinc/04/36/70/605043670.db2.gz RWLYPYJEBVFRBG-GJZGRUSLSA-N -1 1 327.469 2.392 20 0 EEADMM CCOc1ccc(C(C)=O)cc1CN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833664348 605193159 /nfs/dbraw/zinc/19/31/59/605193159.db2.gz SYMZTKPHPMWMEH-AWEZNQCLSA-N -1 1 348.443 2.269 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN3CCC(CC(=O)[O-])CC3)C2)c1 ZINC000833752152 605347216 /nfs/dbraw/zinc/34/72/16/605347216.db2.gz BUVCWWKYJQNMNX-KRWDZBQOSA-N -1 1 330.428 2.455 20 0 EEADMM CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccccc1C(=O)[O-] ZINC000833737204 605495020 /nfs/dbraw/zinc/49/50/20/605495020.db2.gz DUXJYHJKEHUZMF-UHFFFAOYSA-N -1 1 349.364 2.113 20 0 EEADMM O=C(Oc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454788 606179500 /nfs/dbraw/zinc/17/95/00/606179500.db2.gz UOJAONGDAYVNCZ-UHFFFAOYSA-N -1 1 338.352 2.333 20 0 EEADMM O=C(Oc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454788 606179502 /nfs/dbraw/zinc/17/95/02/606179502.db2.gz UOJAONGDAYVNCZ-UHFFFAOYSA-N -1 1 338.352 2.333 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000823294619 606195675 /nfs/dbraw/zinc/19/56/75/606195675.db2.gz KMISXAWNKXAWMM-UHFFFAOYSA-N -1 1 347.281 2.426 20 0 EEADMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(-c3nn[n-]n3)s1)N2 ZINC000821849364 606394040 /nfs/dbraw/zinc/39/40/40/606394040.db2.gz FSWAWZFKSFZCPA-CQSZACIVSA-N -1 1 342.384 2.133 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821842850 606487589 /nfs/dbraw/zinc/48/75/89/606487589.db2.gz VXFILWHZKNFIFK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821842850 606487591 /nfs/dbraw/zinc/48/75/91/606487591.db2.gz VXFILWHZKNFIFK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM CCOc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821430876 606511107 /nfs/dbraw/zinc/51/11/07/606511107.db2.gz HMOJAJJZWSQWQL-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CCOc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821430876 606511109 /nfs/dbraw/zinc/51/11/09/606511109.db2.gz HMOJAJJZWSQWQL-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000820397567 606520931 /nfs/dbraw/zinc/52/09/31/606520931.db2.gz QNOUSXAQXIJZKZ-MRVPVSSYSA-N -1 1 339.384 2.296 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2[nH]1 ZINC000820397567 606520933 /nfs/dbraw/zinc/52/09/33/606520933.db2.gz QNOUSXAQXIJZKZ-MRVPVSSYSA-N -1 1 339.384 2.296 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823436434 606649930 /nfs/dbraw/zinc/64/99/30/606649930.db2.gz VKIOYGAZYOMDTB-UONOGXRCSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823436434 606649931 /nfs/dbraw/zinc/64/99/31/606649931.db2.gz VKIOYGAZYOMDTB-UONOGXRCSA-N -1 1 339.330 2.248 20 0 EEADMM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821510353 606729437 /nfs/dbraw/zinc/72/94/37/606729437.db2.gz ZMTHPZCQTAJHGG-VIFPVBQESA-N -1 1 345.798 2.016 20 0 EEADMM CCc1nc2n(n1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821510353 606729439 /nfs/dbraw/zinc/72/94/39/606729439.db2.gz ZMTHPZCQTAJHGG-VIFPVBQESA-N -1 1 345.798 2.016 20 0 EEADMM COC(=O)Cc1cccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821663614 606878444 /nfs/dbraw/zinc/87/84/44/606878444.db2.gz GGOBRTJEXAWIKI-UHFFFAOYSA-N -1 1 344.762 2.374 20 0 EEADMM COC(=O)Cc1cccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821663614 606878445 /nfs/dbraw/zinc/87/84/45/606878445.db2.gz GGOBRTJEXAWIKI-UHFFFAOYSA-N -1 1 344.762 2.374 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C(C)C ZINC000822009690 606927131 /nfs/dbraw/zinc/92/71/31/606927131.db2.gz BGKDMBIGLVTAOH-NSHDSACASA-N -1 1 333.392 2.104 20 0 EEADMM CC1CCC(N(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824918325 607864278 /nfs/dbraw/zinc/86/42/78/607864278.db2.gz PMLQVBHUZCLVDA-UHFFFAOYSA-N -1 1 347.394 2.422 20 0 EEADMM CC1CCC(N(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824918325 607864279 /nfs/dbraw/zinc/86/42/79/607864279.db2.gz PMLQVBHUZCLVDA-UHFFFAOYSA-N -1 1 347.394 2.422 20 0 EEADMM Cc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292052 607874839 /nfs/dbraw/zinc/87/48/39/607874839.db2.gz GHHDYEKGXQZBGU-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292052 607874840 /nfs/dbraw/zinc/87/48/40/607874840.db2.gz GHHDYEKGXQZBGU-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000826356788 607927508 /nfs/dbraw/zinc/92/75/08/607927508.db2.gz FXXVONRNKFBHHM-GRYCIOLGSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000826356788 607927509 /nfs/dbraw/zinc/92/75/09/607927509.db2.gz FXXVONRNKFBHHM-GRYCIOLGSA-N -1 1 329.408 2.145 20 0 EEADMM CCOCCC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCC1 ZINC000825590600 607999360 /nfs/dbraw/zinc/99/93/60/607999360.db2.gz XIBPVFYXKIXTGH-UHFFFAOYSA-N -1 1 345.403 2.498 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCSc1ccccc1Cl ZINC000826395128 608011573 /nfs/dbraw/zinc/01/15/73/608011573.db2.gz OAJNLOJIVDSUTN-UHFFFAOYSA-N -1 1 349.807 2.121 20 0 EEADMM COc1ccccc1-c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000826218364 608014329 /nfs/dbraw/zinc/01/43/29/608014329.db2.gz ZVVCNMOSZGYMCR-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM COc1ccccc1-c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000826218364 608014330 /nfs/dbraw/zinc/01/43/30/608014330.db2.gz ZVVCNMOSZGYMCR-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM CC[C@@H](C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825050618 608022582 /nfs/dbraw/zinc/02/25/82/608022582.db2.gz KDWYLWCRQVICCK-SECBINFHSA-N -1 1 345.790 2.450 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000826206304 608072550 /nfs/dbraw/zinc/07/25/50/608072550.db2.gz MSIZSXPCXAIUAJ-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000826206304 608072551 /nfs/dbraw/zinc/07/25/51/608072551.db2.gz MSIZSXPCXAIUAJ-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)C(F)(F)F ZINC000825148632 608231992 /nfs/dbraw/zinc/23/19/92/608231992.db2.gz RIWUEUUXVJDFHZ-RCOVLWMOSA-N -1 1 336.705 2.029 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)C(F)(F)F ZINC000825148632 608231994 /nfs/dbraw/zinc/23/19/94/608231994.db2.gz RIWUEUUXVJDFHZ-RCOVLWMOSA-N -1 1 336.705 2.029 20 0 EEADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1c1cccc(F)c1 ZINC000824962538 608426893 /nfs/dbraw/zinc/42/68/93/608426893.db2.gz VHVWVZZIUVKAQH-MEBBXXQBSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1c1cccc(F)c1 ZINC000824962538 608426894 /nfs/dbraw/zinc/42/68/94/608426894.db2.gz VHVWVZZIUVKAQH-MEBBXXQBSA-N -1 1 325.351 2.383 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)C(C)(C)F)c1-c1nn[n-]n1 ZINC000826331857 608568818 /nfs/dbraw/zinc/56/88/18/608568818.db2.gz APFLKCGCNXMDOP-UHFFFAOYSA-N -1 1 344.350 2.152 20 0 EEADMM C[C@@](O)(CNc1cc(-c2nnn[n-]2)nc2ccccc21)C(F)(F)F ZINC000824671506 609164686 /nfs/dbraw/zinc/16/46/86/609164686.db2.gz ZYPAWFOBMYVEJV-CYBMUJFWSA-N -1 1 338.293 2.140 20 0 EEADMM C[C@@](O)(CNc1cc(-c2nn[n-]n2)nc2ccccc21)C(F)(F)F ZINC000824671506 609164688 /nfs/dbraw/zinc/16/46/88/609164688.db2.gz ZYPAWFOBMYVEJV-CYBMUJFWSA-N -1 1 338.293 2.140 20 0 EEADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000824216659 609415259 /nfs/dbraw/zinc/41/52/59/609415259.db2.gz UTLNGODBQULPKZ-IAQYHMDHSA-N -1 1 345.403 2.352 20 0 EEADMM CO[C@@H]1Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2C1 ZINC000826147189 609602899 /nfs/dbraw/zinc/60/28/99/609602899.db2.gz PMQLJZOCXGVRLU-GFCCVEGCSA-N -1 1 341.396 2.294 20 0 EEADMM CO[C@@H]1Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2C1 ZINC000826147189 609602902 /nfs/dbraw/zinc/60/29/02/609602902.db2.gz PMQLJZOCXGVRLU-GFCCVEGCSA-N -1 1 341.396 2.294 20 0 EEADMM Cc1cccc([C@@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1C ZINC000080446607 675463346 /nfs/dbraw/zinc/46/33/46/675463346.db2.gz OIJPTEAROSWZRC-KBPBESRZSA-N -1 1 331.441 2.314 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)ccc1F ZINC000082357936 676712898 /nfs/dbraw/zinc/71/28/98/676712898.db2.gz QRWWOUOLEBERAG-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM COCc1nc(N2CCC(Oc3ccc(OC)cc3)CC2)cc(=O)[n-]1 ZINC000891896221 676894132 /nfs/dbraw/zinc/89/41/32/676894132.db2.gz SVAKDEKSCMTTGG-UHFFFAOYSA-N -1 1 345.399 2.385 20 0 EEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866865403 677937175 /nfs/dbraw/zinc/93/71/75/677937175.db2.gz OANYKACBFFGLJJ-SECBINFHSA-N -1 1 327.233 2.218 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000866872596 677965258 /nfs/dbraw/zinc/96/52/58/677965258.db2.gz VFAKUDHQFYPPIP-KBPBESRZSA-N -1 1 330.475 2.059 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(C)no1 ZINC000052172099 678889092 /nfs/dbraw/zinc/88/90/92/678889092.db2.gz FHYLKJKDAXVRLT-UHFFFAOYSA-N -1 1 338.385 2.492 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3F)[C@@H](C)C2)c1[O-] ZINC000947205683 679860225 /nfs/dbraw/zinc/86/02/25/679860225.db2.gz UZIULPZOJCWBEE-SMDDNHRTSA-N -1 1 346.406 2.346 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[N-]OCc2ccccn2)C1 ZINC000909537075 685393668 /nfs/dbraw/zinc/39/36/68/685393668.db2.gz UFUWMKQYEOXLKF-KRWDZBQOSA-N -1 1 335.404 2.277 20 0 EEADMM CN(C(=O)CC1CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937210874 681686227 /nfs/dbraw/zinc/68/62/27/681686227.db2.gz GACDPVMXVZRNKV-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C(=O)CC1=CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212055 681686794 /nfs/dbraw/zinc/68/67/94/681686794.db2.gz ROHHSIUAFRQSPM-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM O=C(CC1CCCCCC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025101252 682033591 /nfs/dbraw/zinc/03/35/91/682033591.db2.gz WGWFBQKIGCPVQN-OAHLLOKOSA-N -1 1 349.479 2.342 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC000983584713 682900390 /nfs/dbraw/zinc/90/03/90/682900390.db2.gz JRVGVZPPPPCADR-STQMWFEESA-N -1 1 349.406 2.227 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(-c3ncco3)c2)C1 ZINC000909546207 685608433 /nfs/dbraw/zinc/60/84/33/685608433.db2.gz VPZXKMHDCAMCJB-CYBMUJFWSA-N -1 1 329.356 2.077 20 0 EEADMM C[C@@H]1CCN(C(=O)C2CC=CC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983683511 683126429 /nfs/dbraw/zinc/12/64/29/683126429.db2.gz HNHPAJTXZIDVKB-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM CN(C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000892954043 683320949 /nfs/dbraw/zinc/32/09/49/683320949.db2.gz ANSTVLWFDCDJIT-UHFFFAOYSA-N -1 1 327.310 2.450 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccsc1 ZINC001029281552 683823422 /nfs/dbraw/zinc/82/34/22/683823422.db2.gz POWLMOQESRFEOW-OKILXGFUSA-N -1 1 329.425 2.338 20 0 EEADMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000153457124 684044067 /nfs/dbraw/zinc/04/40/67/684044067.db2.gz SCBXSQDXNUTLKG-NSHDSACASA-N -1 1 327.837 2.464 20 0 EEADMM CN(C(=O)C1(C2CC2)CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984109652 684111912 /nfs/dbraw/zinc/11/19/12/684111912.db2.gz DGNLMWKRBNZKJA-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978743824 693865628 /nfs/dbraw/zinc/86/56/28/693865628.db2.gz SGOFLIPEJXDFIY-MCIONIFRSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]1Cn1cncn1 ZINC000896326895 684944632 /nfs/dbraw/zinc/94/46/32/684944632.db2.gz VJBVKABMULNSRQ-CYBMUJFWSA-N -1 1 338.367 2.147 20 0 EEADMM Cc1nc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)oc1C ZINC000974494288 684989052 /nfs/dbraw/zinc/98/90/52/684989052.db2.gz YSQNAUMLYUBAAV-AWEZNQCLSA-N -1 1 344.415 2.032 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000923748768 686675335 /nfs/dbraw/zinc/67/53/35/686675335.db2.gz VKPRJZJLLAARJN-NEPJUHHUSA-N -1 1 343.807 2.104 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)C2CCCCCC2)CC1 ZINC001029943522 688643958 /nfs/dbraw/zinc/64/39/58/688643958.db2.gz KKPGZXWZDDTKLX-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H]1[C@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCC1CCCCCC1 ZINC000986584913 688744362 /nfs/dbraw/zinc/74/43/62/688744362.db2.gz HBHCWNQKYJBRKU-UKRRQHHQSA-N -1 1 349.479 2.340 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCOc1ccccc1 ZINC000042775498 694247965 /nfs/dbraw/zinc/24/79/65/694247965.db2.gz HEKRVIAJWIUTKG-UHFFFAOYSA-N -1 1 341.410 2.355 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccccc1 ZINC000042776439 694250320 /nfs/dbraw/zinc/25/03/20/694250320.db2.gz IYVYQQPAGZOCNC-UHFFFAOYSA-N -1 1 339.394 2.159 20 0 EEADMM Cc1ncc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)n1C ZINC000904005685 694266440 /nfs/dbraw/zinc/26/64/40/694266440.db2.gz UHIOATVWGIMRPU-KRWDZBQOSA-N -1 1 339.399 2.220 20 0 EEADMM CC1CC(C(=O)N[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000987003982 689214908 /nfs/dbraw/zinc/21/49/08/689214908.db2.gz QSBOFQRKVHQIBZ-NRXISQOPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)NCCN2CCc3ccccc3C2)c1 ZINC000263340851 689704066 /nfs/dbraw/zinc/70/40/66/689704066.db2.gz RXWUGUYPTLGMOY-UHFFFAOYSA-N -1 1 338.407 2.481 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1(F)CCCCC1 ZINC000987686554 689931165 /nfs/dbraw/zinc/93/11/65/689931165.db2.gz ZQFPUDYQOCZXES-OLZOCXBDSA-N -1 1 349.406 2.179 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2F)co1 ZINC000163405832 690541726 /nfs/dbraw/zinc/54/17/26/690541726.db2.gz DBMLKKDPMHMLHF-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM CCc1nc(CN[C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)cs1 ZINC000988688488 691019932 /nfs/dbraw/zinc/01/99/32/691019932.db2.gz DAANOAPWIHIWMF-NWDGAFQWSA-N -1 1 346.456 2.199 20 0 EEADMM O=C(N[C@]12CCC[C@H]1N(Cc1ccns1)CC2)c1ncccc1[O-] ZINC000990398771 692876139 /nfs/dbraw/zinc/87/61/39/692876139.db2.gz ORYHCUIQHNRLCU-PBHICJAKSA-N -1 1 344.440 2.171 20 0 EEADMM CCN(CC)C(=O)N1CCC(C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC000898571795 693377227 /nfs/dbraw/zinc/37/72/27/693377227.db2.gz PLNQUJPFZLMRGM-UHFFFAOYSA-N -1 1 337.395 2.410 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC000943057537 1192025678 /nfs/dbraw/zinc/02/56/78/1192025678.db2.gz WABRXOFTLXMXKY-OAHLLOKOSA-N -1 1 339.395 2.212 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC000943205162 1192115015 /nfs/dbraw/zinc/11/50/15/1192115015.db2.gz BCJDAQUZCLEJQZ-HNNXBMFYSA-N -1 1 339.395 2.212 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)[C@@H]2CC23CCC3)C1)c1ncccc1[O-] ZINC000943209214 1192117768 /nfs/dbraw/zinc/11/77/68/1192117768.db2.gz KLVJLZZOSPGOEO-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@]1(C(=O)N[C@@H]2CCCCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC000943443257 1192281156 /nfs/dbraw/zinc/28/11/56/1192281156.db2.gz VTPIBYZKBQQYEF-KUHUBIRLSA-N -1 1 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Cc1ccc(-n2cc([O-])c(C(=O)OCCOC[C@H]3CCCO3)n2)cc1 ZINC000801367617 1235463784 /nfs/dbraw/zinc/46/37/84/1235463784.db2.gz USCIWPSVLSXQIT-OAHLLOKOSA-N -1 1 346.383 2.239 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@H](C)C(=O)N(C)C)n2)c1 ZINC000801411203 1235535335 /nfs/dbraw/zinc/53/53/35/1235535335.db2.gz RAIXRGUVILELJI-GFCCVEGCSA-N -1 1 345.399 2.335 20 0 EEADMM CCn1ncnc1COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801417987 1235549052 /nfs/dbraw/zinc/54/90/52/1235549052.db2.gz IHHNEHKPMPXHOY-UHFFFAOYSA-N -1 1 341.371 2.163 20 0 EEADMM Cn1nncc1CN1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000901602264 1236029595 /nfs/dbraw/zinc/02/95/95/1236029595.db2.gz KVMBRYLRCNNQLV-QGZVFWFLSA-N -1 1 328.416 2.286 20 0 EEADMM C[C@@H](CCN(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000901625239 1236064555 /nfs/dbraw/zinc/06/45/55/1236064555.db2.gz ADRWWLISDHNMDP-RDJZCZTQSA-N -1 1 332.444 2.435 20 0 EEADMM Cc1ccc([C@H](C)CN(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000901628630 1236072699 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O=C(c1ncccc1[O-])N1CC[C@@H](Nc2nc3c(cccc3F)o2)C1 ZINC001056612472 1239449000 /nfs/dbraw/zinc/44/90/00/1239449000.db2.gz LBLCGZATBUJDGR-SNVBAGLBSA-N -1 1 342.330 2.394 20 0 EEADMM CC(C)CCC(=O)N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001056647799 1239456926 /nfs/dbraw/zinc/45/69/26/1239456926.db2.gz UTRDGQONXYMRFA-LSDHHAIUSA-N -1 1 345.443 2.286 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCCOC ZINC000803294343 1240038215 /nfs/dbraw/zinc/03/82/15/1240038215.db2.gz GSYBWIQXYJLIBB-UHFFFAOYSA-N -1 1 329.418 2.422 20 0 EEADMM CCOC1CC(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000803322327 1240107542 /nfs/dbraw/zinc/10/75/42/1240107542.db2.gz BNVPOPHLNAJWET-UHFFFAOYSA-N -1 1 347.415 2.343 20 0 EEADMM O=C([N-]CC1CCN(C(=O)c2occ3c2CCC3)CC1)C(F)(F)F ZINC000803340065 1240153674 /nfs/dbraw/zinc/15/36/74/1240153674.db2.gz NWFCHFZCBKKPMH-UHFFFAOYSA-N -1 1 344.333 2.299 20 0 EEADMM O=S(=O)([N-]C1(c2ccccc2)COC1)c1ccc(C(F)F)o1 ZINC000903665177 1241465760 /nfs/dbraw/zinc/46/57/60/1241465760.db2.gz 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345.378 2.048 20 0 EEADMM C[C@H]1C[C@H](Nc2cnc3ccccc3n2)CN1C(=O)c1ncccc1[O-] ZINC001069062245 1252164174 /nfs/dbraw/zinc/16/41/74/1252164174.db2.gz GHISZMAXESZMND-STQMWFEESA-N -1 1 349.394 2.446 20 0 EEADMM C[C@@H]1C[C@H](Nc2nc(C3CC3)ns2)CN1C(=O)c1ncccc1[O-] ZINC001069065975 1252171896 /nfs/dbraw/zinc/17/18/96/1252171896.db2.gz QWBADNZVMSULCK-KOLCDFICSA-N -1 1 345.428 2.231 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])Nc1nc(C2CC2)ns1 ZINC001099104699 1257967461 /nfs/dbraw/zinc/96/74/61/1257967461.db2.gz IPMZQVIIXXHTPT-VIFPVBQESA-N -1 1 333.417 2.137 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(OCC(F)(F)F)nn1)CC2 ZINC001771768997 1278537369 /nfs/dbraw/zinc/53/73/69/1278537369.db2.gz AHIMTXZDHSRFKS-LLVKDONJSA-N -1 1 345.321 2.104 20 0 EEADMM COc1ccc(CNC(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1 ZINC001185510394 1278681230 /nfs/dbraw/zinc/68/12/30/1278681230.db2.gz CNIHSJVEZZGCQQ-UHFFFAOYSA-N -1 1 335.345 2.199 20 0 EEADMM COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC001186234159 1278997935 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O=C([O-])COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC001610787094 1352274376 /nfs/dbraw/zinc/27/43/76/1352274376.db2.gz SKNVODZEJGAXAX-TZMCWYRMSA-N -1 1 347.333 2.143 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])cc(C)c1F ZINC001430550051 1340254485 /nfs/dbraw/zinc/25/44/85/1340254485.db2.gz LGRMYCXEXPQCQB-GFCCVEGCSA-N -1 1 345.374 2.091 20 0 EEADMM O=C(CC1CCCCC1)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001431726132 1340703306 /nfs/dbraw/zinc/70/33/06/1340703306.db2.gz UMWLGJPIPKICPM-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001432500752 1341309318 /nfs/dbraw/zinc/30/93/18/1341309318.db2.gz LCRNSMRVHGOYDP-ILXRZTDVSA-N -1 1 345.443 2.285 20 0 EEADMM CCC[C@H](CC)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433088682 1341494934 /nfs/dbraw/zinc/49/49/34/1341494934.db2.gz IFQHVRCIYGDYIM-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1ccc(CF)cc1 ZINC001433164985 1341520925 /nfs/dbraw/zinc/52/09/25/1341520925.db2.gz FKQNSEFMHIECKQ-UHFFFAOYSA-N -1 1 345.374 2.101 20 0 EEADMM CCCNC(=O)C1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCCC1 ZINC001433664153 1341653187 /nfs/dbraw/zinc/65/31/87/1341653187.db2.gz ZEXNEDNNALJXEC-UHFFFAOYSA-N -1 1 346.431 2.019 20 0 EEADMM CC(C)(C)OC(=O)C1(NC(=O)c2cnc(C3CC3)[n-]c2=O)CCCC1 ZINC001433720432 1341667583 /nfs/dbraw/zinc/66/75/83/1341667583.db2.gz ZHCISHMJTURQDA-UHFFFAOYSA-N -1 1 347.415 2.444 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001434723925 1341927517 /nfs/dbraw/zinc/92/75/17/1341927517.db2.gz BINYTYKPZYLRMJ-AWEZNQCLSA-N -1 1 342.403 2.115 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001434727299 1341929179 /nfs/dbraw/zinc/92/91/79/1341929179.db2.gz VVVQVRMFLAJSJX-PSASIEDQSA-N -1 1 334.346 2.066 20 0 EEADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001556211778 1342424973 /nfs/dbraw/zinc/42/49/73/1342424973.db2.gz WYBFTHDBFBLVFU-UHFFFAOYSA-N -1 1 342.355 2.040 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccnc1 ZINC001575318760 1343775047 /nfs/dbraw/zinc/77/50/47/1343775047.db2.gz GEXWWJRMYINTKJ-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccnc1 ZINC001575318760 1343775051 /nfs/dbraw/zinc/77/50/51/1343775051.db2.gz GEXWWJRMYINTKJ-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577202738 1344103311 /nfs/dbraw/zinc/10/33/11/1344103311.db2.gz JYCKTUISTQKKLQ-BQBZGAKWSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577202738 1344103315 /nfs/dbraw/zinc/10/33/15/1344103315.db2.gz JYCKTUISTQKKLQ-BQBZGAKWSA-N -1 1 343.844 2.082 20 0 EEADMM CCO[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001578256283 1344256290 /nfs/dbraw/zinc/25/62/90/1344256290.db2.gz CPWYWFXXCPAVNB-OAHLLOKOSA-N -1 1 338.371 2.002 20 0 EEADMM CCO[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001578256283 1344256295 /nfs/dbraw/zinc/25/62/95/1344256295.db2.gz CPWYWFXXCPAVNB-OAHLLOKOSA-N -1 1 338.371 2.002 20 0 EEADMM CN(C(=O)Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001578881963 1344313503 /nfs/dbraw/zinc/31/35/03/1344313503.db2.gz SZBCNDNRQZKIDL-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001578881963 1344313505 /nfs/dbraw/zinc/31/35/05/1344313505.db2.gz SZBCNDNRQZKIDL-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(CCc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579231762 1344355679 /nfs/dbraw/zinc/35/56/79/1344355679.db2.gz LMHLTALJHHLOMK-UHFFFAOYSA-N -1 1 341.350 2.107 20 0 EEADMM CN(CCc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579231762 1344355683 /nfs/dbraw/zinc/35/56/83/1344355683.db2.gz LMHLTALJHHLOMK-UHFFFAOYSA-N -1 1 341.350 2.107 20 0 EEADMM COC(=O)[C@H](C)c1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001579433541 1344381521 /nfs/dbraw/zinc/38/15/21/1344381521.db2.gz JLONIDKSDCTCKY-LLVKDONJSA-N -1 1 338.371 2.150 20 0 EEADMM COC(=O)[C@H](C)c1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001579433541 1344381524 /nfs/dbraw/zinc/38/15/24/1344381524.db2.gz JLONIDKSDCTCKY-LLVKDONJSA-N -1 1 338.371 2.150 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580079095 1344467636 /nfs/dbraw/zinc/46/76/36/1344467636.db2.gz ZNJITBJXIHKXBO-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580079095 1344467640 /nfs/dbraw/zinc/46/76/40/1344467640.db2.gz ZNJITBJXIHKXBO-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1ncc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1-c1nn[n-]n1 ZINC001580135113 1344479303 /nfs/dbraw/zinc/47/93/03/1344479303.db2.gz UZTCGVRZXQNFDC-QFYYESIMSA-N -1 1 343.391 2.067 20 0 EEADMM O=C(CCCOc1cccc(F)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582047151 1344695326 /nfs/dbraw/zinc/69/53/26/1344695326.db2.gz RQRQYCJPIDVPDG-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(CCCOc1cccc(F)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582047151 1344695332 /nfs/dbraw/zinc/69/53/32/1344695332.db2.gz RQRQYCJPIDVPDG-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)s1)c1cc(Cl)ccc1[O-] ZINC001582549764 1344760714 /nfs/dbraw/zinc/76/07/14/1344760714.db2.gz JAKCUJKNXQYEBZ-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CC12CCSCC2 ZINC001582548924 1344760789 /nfs/dbraw/zinc/76/07/89/1344760789.db2.gz ZJJXICNNEJSLNH-SNVBAGLBSA-N -1 1 335.458 2.078 20 0 EEADMM O=C(c1c(F)cccc1F)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001582664661 1344780354 /nfs/dbraw/zinc/78/03/54/1344780354.db2.gz RPEGBIZESGAJJK-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1c(F)cccc1F)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001582664661 1344780358 /nfs/dbraw/zinc/78/03/58/1344780358.db2.gz RPEGBIZESGAJJK-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1sc2ccccc2c1Cl ZINC001582806683 1344794418 /nfs/dbraw/zinc/79/44/18/1344794418.db2.gz FOXKNBCXILJZAD-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM c1ccc2cc([C@@H]3C[C@H]3Nc3ccnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001582818638 1344797727 /nfs/dbraw/zinc/79/77/27/1344797727.db2.gz ISTARBWUNFECEO-LSDHHAIUSA-N -1 1 329.367 2.200 20 0 EEADMM CC(=O)N1CCc2c1cccc2NCc1ccc(-c2nn[n-]n2)s1 ZINC001588826250 1348939135 /nfs/dbraw/zinc/93/91/35/1348939135.db2.gz SMUNFHDQKIOYLT-UHFFFAOYSA-N -1 1 340.412 2.449 20 0 EEADMM CC(=O)c1ccc(CCNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001588915003 1348947389 /nfs/dbraw/zinc/94/73/89/1348947389.db2.gz GSSPNBMEFRIMOG-UHFFFAOYSA-N -1 1 328.401 2.489 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)n1 ZINC001589203120 1348969973 /nfs/dbraw/zinc/96/99/73/1348969973.db2.gz WVBSOUKBZZRNSI-UHFFFAOYSA-N -1 1 345.388 2.148 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)n1 ZINC001589203120 1348969976 /nfs/dbraw/zinc/96/99/76/1348969976.db2.gz WVBSOUKBZZRNSI-UHFFFAOYSA-N -1 1 345.388 2.148 20 0 EEADMM CC(C)(C)c1ccncc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589231988 1348972718 /nfs/dbraw/zinc/97/27/18/1348972718.db2.gz KONXUUKDFGVFJJ-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM CC(C)(C)c1ccncc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589231988 1348972721 /nfs/dbraw/zinc/97/27/21/1348972721.db2.gz KONXUUKDFGVFJJ-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM CC(C)=CCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589372006 1348987903 /nfs/dbraw/zinc/98/79/03/1348987903.db2.gz PHABNQNORZWWGW-JTQLQIEISA-N -1 1 341.462 2.341 20 0 EEADMM CC(C)=CCC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589372006 1348987908 /nfs/dbraw/zinc/98/79/08/1348987908.db2.gz PHABNQNORZWWGW-JTQLQIEISA-N -1 1 341.462 2.341 20 0 EEADMM CC(C)CC[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589587668 1349006657 /nfs/dbraw/zinc/00/66/57/1349006657.db2.gz ZHCXEQHTQSNHCY-CQSZACIVSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)CC[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589587668 1349006661 /nfs/dbraw/zinc/00/66/61/1349006661.db2.gz ZHCXEQHTQSNHCY-CQSZACIVSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)CNC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC001589636074 1349012757 /nfs/dbraw/zinc/01/27/57/1349012757.db2.gz ZXWIVYCWMJZVSR-UHFFFAOYSA-N -1 1 340.387 2.458 20 0 EEADMM CC(C)CNC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC001589636074 1349012763 /nfs/dbraw/zinc/01/27/63/1349012763.db2.gz ZXWIVYCWMJZVSR-UHFFFAOYSA-N -1 1 340.387 2.458 20 0 EEADMM CC(C)Cc1nsc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001589665121 1349017840 /nfs/dbraw/zinc/01/78/40/1349017840.db2.gz NGSSEYINDOLHRZ-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)c1ccc(CCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001589769922 1349034672 /nfs/dbraw/zinc/03/46/72/1349034672.db2.gz QRMKXHOESWCMPB-UHFFFAOYSA-N -1 1 325.376 2.285 20 0 EEADMM CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001589777445 1349038146 /nfs/dbraw/zinc/03/81/46/1349038146.db2.gz ZUSDJGUTJHXMND-UHFFFAOYSA-N -1 1 344.766 2.081 20 0 EEADMM CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589777445 1349038149 /nfs/dbraw/zinc/03/81/49/1349038149.db2.gz ZUSDJGUTJHXMND-UHFFFAOYSA-N -1 1 344.766 2.081 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001590048666 1349129724 /nfs/dbraw/zinc/12/97/24/1349129724.db2.gz BXJONVPIZAAHDK-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001590048666 1349129729 /nfs/dbraw/zinc/12/97/29/1349129729.db2.gz BXJONVPIZAAHDK-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C)CC(=O)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590080753 1349141499 /nfs/dbraw/zinc/14/14/99/1349141499.db2.gz PECBLFYWJYPQLO-UHFFFAOYSA-N -1 1 337.387 2.005 20 0 EEADMM CC1(C)CC(=O)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590080753 1349141502 /nfs/dbraw/zinc/14/15/02/1349141502.db2.gz PECBLFYWJYPQLO-UHFFFAOYSA-N -1 1 337.387 2.005 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2ccccc2O1 ZINC001590101714 1349155764 /nfs/dbraw/zinc/15/57/64/1349155764.db2.gz DWUXEBDJXSVOJU-UHFFFAOYSA-N -1 1 325.328 2.278 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccco1 ZINC001590103240 1349155776 /nfs/dbraw/zinc/15/57/76/1349155776.db2.gz JMFVSXOFVRHXCG-ZDUSSCGKSA-N -1 1 339.359 2.470 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccco1 ZINC001590103240 1349155778 /nfs/dbraw/zinc/15/57/78/1349155778.db2.gz JMFVSXOFVRHXCG-ZDUSSCGKSA-N -1 1 339.359 2.470 20 0 EEADMM C[C@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC[C@@H]1O ZINC001590134890 1349170375 /nfs/dbraw/zinc/17/03/75/1349170375.db2.gz LQWNNJJWOXGZGK-JVXZTZIISA-N -1 1 328.829 2.330 20 0 EEADMM C[C@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC[C@@H]1O ZINC001590134890 1349170381 /nfs/dbraw/zinc/17/03/81/1349170381.db2.gz LQWNNJJWOXGZGK-JVXZTZIISA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@H]1CC(=O)Oc2cc(OC(=O)c3ccc(-c4nn[n-]n4)o3)ccc21 ZINC001590179944 1349183873 /nfs/dbraw/zinc/18/38/73/1349183873.db2.gz KXGIWRRFAWRCTN-MRVPVSSYSA-N -1 1 340.295 2.092 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251891 1349226719 /nfs/dbraw/zinc/22/67/19/1349226719.db2.gz JNKDXRPWXKTDIV-TZMCWYRMSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251891 1349226722 /nfs/dbraw/zinc/22/67/22/1349226722.db2.gz JNKDXRPWXKTDIV-TZMCWYRMSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001590268122 1349241550 /nfs/dbraw/zinc/24/15/50/1349241550.db2.gz VXNNAMNNUBLCTG-SNVBAGLBSA-N -1 1 347.448 2.045 20 0 EEADMM C[C@@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001590268122 1349241556 /nfs/dbraw/zinc/24/15/56/1349241556.db2.gz VXNNAMNNUBLCTG-SNVBAGLBSA-N -1 1 347.448 2.045 20 0 EEADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)Cc2ccccc2O1 ZINC001590311695 1349258125 /nfs/dbraw/zinc/25/81/25/1349258125.db2.gz FECMANRTIRNUAN-NSHDSACASA-N -1 1 349.398 2.322 20 0 EEADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)Cc2ccccc2O1 ZINC001590311695 1349258130 /nfs/dbraw/zinc/25/81/30/1349258130.db2.gz FECMANRTIRNUAN-NSHDSACASA-N -1 1 349.398 2.322 20 0 EEADMM C/C=C/C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590356134 1349282644 /nfs/dbraw/zinc/28/26/44/1349282644.db2.gz XUEMJKFGOOXQSS-PCAWENJQSA-N -1 1 342.403 2.231 20 0 EEADMM C/C=C/C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590356134 1349282648 /nfs/dbraw/zinc/28/26/48/1349282648.db2.gz XUEMJKFGOOXQSS-PCAWENJQSA-N -1 1 342.403 2.231 20 0 EEADMM CCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590361583 1349286160 /nfs/dbraw/zinc/28/61/60/1349286160.db2.gz KEMFCWPHIPROBC-KOLCDFICSA-N -1 1 349.464 2.223 20 0 EEADMM CC[C@@](C)(NC(=O)c1csc(-c2nn[n-]n2)c1)c1nccs1 ZINC001590383233 1349296811 /nfs/dbraw/zinc/29/68/11/1349296811.db2.gz WHYSNOAUAOYQPX-CYBMUJFWSA-N -1 1 334.430 2.440 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC001590459413 1349337131 /nfs/dbraw/zinc/33/71/31/1349337131.db2.gz IVQAKVCLGIMAFD-SECBINFHSA-N -1 1 337.343 2.217 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC001590459413 1349337140 /nfs/dbraw/zinc/33/71/40/1349337140.db2.gz IVQAKVCLGIMAFD-SECBINFHSA-N -1 1 337.343 2.217 20 0 EEADMM CC[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC001590460102 1349337256 /nfs/dbraw/zinc/33/72/56/1349337256.db2.gz VYUGDRJNZQKGKD-LBPRGKRZSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC001590460102 1349337261 /nfs/dbraw/zinc/33/72/61/1349337261.db2.gz VYUGDRJNZQKGKD-LBPRGKRZSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H]1CCCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001590513044 1349363118 /nfs/dbraw/zinc/36/31/18/1349363118.db2.gz NHJCEOJQVMRVGP-LLVKDONJSA-N -1 1 345.407 2.314 20 0 EEADMM CCCNC(=O)c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001590638605 1349381886 /nfs/dbraw/zinc/38/18/86/1349381886.db2.gz SPURVPRMNDSGLZ-UHFFFAOYSA-N -1 1 343.416 2.075 20 0 EEADMM CCCNC(=O)c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001590638605 1349381889 /nfs/dbraw/zinc/38/18/89/1349381889.db2.gz SPURVPRMNDSGLZ-UHFFFAOYSA-N -1 1 343.416 2.075 20 0 EEADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc2[nH]ccc2c1 ZINC001590675377 1349386149 /nfs/dbraw/zinc/38/61/49/1349386149.db2.gz NYFQDUZGMYFHCS-UHFFFAOYSA-N -1 1 333.355 2.410 20 0 EEADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc2[nH]ccc2c1 ZINC001590675377 1349386155 /nfs/dbraw/zinc/38/61/55/1349386155.db2.gz NYFQDUZGMYFHCS-UHFFFAOYSA-N -1 1 333.355 2.410 20 0 EEADMM CCOC(=O)N[C@@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)CC(C)C ZINC001590767835 1349397571 /nfs/dbraw/zinc/39/75/71/1349397571.db2.gz AKQQBUFOURQEGX-CYBMUJFWSA-N -1 1 347.423 2.143 20 0 EEADMM CCOC(=O)N[C@@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)CC(C)C ZINC001590767835 1349397577 /nfs/dbraw/zinc/39/75/77/1349397577.db2.gz AKQQBUFOURQEGX-CYBMUJFWSA-N -1 1 347.423 2.143 20 0 EEADMM CCc1nc(NCCc2nc3ccccc3o2)cc(-c2nnn[n-]2)n1 ZINC001590922672 1349411801 /nfs/dbraw/zinc/41/18/01/1349411801.db2.gz UYFKHMGVZNQZKY-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM CCc1nc(NCCc2nc3ccccc3o2)cc(-c2nn[n-]n2)n1 ZINC001590922672 1349411803 /nfs/dbraw/zinc/41/18/03/1349411803.db2.gz UYFKHMGVZNQZKY-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM CCc1nc(NCCCn2cnc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001590919650 1349412397 /nfs/dbraw/zinc/41/23/97/1349412397.db2.gz VATMRVRQJCLEJC-UHFFFAOYSA-N -1 1 349.402 2.071 20 0 EEADMM CCc1nc(NCCCn2cnc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001590919650 1349412399 /nfs/dbraw/zinc/41/23/99/1349412399.db2.gz VATMRVRQJCLEJC-UHFFFAOYSA-N -1 1 349.402 2.071 20 0 EEADMM CCc1nc(NC[C@@H]2CCc3ccccc3C2)cc(-c2nnn[n-]2)n1 ZINC001590918924 1349413200 /nfs/dbraw/zinc/41/32/00/1349413200.db2.gz KEPWRDKVYLTIMD-GFCCVEGCSA-N -1 1 335.415 2.436 20 0 EEADMM CCc1nc(NC[C@@H]2CCc3ccccc3C2)cc(-c2nn[n-]n2)n1 ZINC001590918924 1349413201 /nfs/dbraw/zinc/41/32/01/1349413201.db2.gz KEPWRDKVYLTIMD-GFCCVEGCSA-N -1 1 335.415 2.436 20 0 EEADMM CCc1nc(Nc2ccc(COC)c(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590924289 1349413683 /nfs/dbraw/zinc/41/36/83/1349413683.db2.gz APHWMCYOTLPOQG-UHFFFAOYSA-N -1 1 341.375 2.118 20 0 EEADMM CCc1nc(Nc2ccc(COC)c(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590924289 1349413691 /nfs/dbraw/zinc/41/36/91/1349413691.db2.gz APHWMCYOTLPOQG-UHFFFAOYSA-N -1 1 341.375 2.118 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591152543 1349441842 /nfs/dbraw/zinc/44/18/42/1349441842.db2.gz DKLCMPRSIJJONO-UHFFFAOYSA-N -1 1 339.384 2.077 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC001591621481 1349519384 /nfs/dbraw/zinc/51/93/84/1349519384.db2.gz IAFMXRKHZKMEAK-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC001591621481 1349519393 /nfs/dbraw/zinc/51/93/93/1349519393.db2.gz IAFMXRKHZKMEAK-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM Cc1cnc([C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C2CC2)s1 ZINC001592034143 1349586280 /nfs/dbraw/zinc/58/62/80/1349586280.db2.gz LPNCCBIMKYOTAM-CYBMUJFWSA-N -1 1 327.417 2.320 20 0 EEADMM Cc1cnc([C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C2CC2)s1 ZINC001592034143 1349586283 /nfs/dbraw/zinc/58/62/83/1349586283.db2.gz LPNCCBIMKYOTAM-CYBMUJFWSA-N -1 1 327.417 2.320 20 0 EEADMM Cc1ccc(-c2nnco2)cc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592074349 1349589099 /nfs/dbraw/zinc/58/90/99/1349589099.db2.gz CWFCTVRXVWFXAC-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1ccc(-c2nnco2)cc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592074349 1349589102 /nfs/dbraw/zinc/58/91/02/1349589102.db2.gz CWFCTVRXVWFXAC-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001592205217 1349609393 /nfs/dbraw/zinc/60/93/93/1349609393.db2.gz RKXZIEVZUPWGHC-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592205217 1349609394 /nfs/dbraw/zinc/60/93/94/1349609394.db2.gz RKXZIEVZUPWGHC-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1csc([C@@H]2CCN(C(=O)c3csc(-c4nn[n-]n4)c3)C2)n1 ZINC001592314089 1349619948 /nfs/dbraw/zinc/61/99/48/1349619948.db2.gz YVVADBMVSFDOIH-SECBINFHSA-N -1 1 346.441 2.323 20 0 EEADMM Cc1csc(NC(=O)CSCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592316337 1349620972 /nfs/dbraw/zinc/62/09/72/1349620972.db2.gz XERWXTYIMJHONZ-UHFFFAOYSA-N -1 1 336.402 2.097 20 0 EEADMM Cc1csc(NC(=O)CSCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592316337 1349620973 /nfs/dbraw/zinc/62/09/73/1349620973.db2.gz XERWXTYIMJHONZ-UHFFFAOYSA-N -1 1 336.402 2.097 20 0 EEADMM Cc1[nH]nc(NC(=O)CC(C2CCC2)C2CCC2)c1-c1nn[n-]n1 ZINC001592328294 1349622150 /nfs/dbraw/zinc/62/21/50/1349622150.db2.gz QFRMCZHKQOQKLJ-UHFFFAOYSA-N -1 1 329.408 2.443 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nnn[n-]1 ZINC001592467836 1349634633 /nfs/dbraw/zinc/63/46/33/1349634633.db2.gz LLVDBEXQMLWCLQ-GARJFASQSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC001592467836 1349634637 /nfs/dbraw/zinc/63/46/37/1349634637.db2.gz LLVDBEXQMLWCLQ-GARJFASQSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(C)c1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2 ZINC001592468839 1349634686 /nfs/dbraw/zinc/63/46/86/1349634686.db2.gz SOHFWCKPZBSARV-UHFFFAOYSA-N -1 1 342.428 2.029 20 0 EEADMM Cc1nsc(N(C)C[C@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC001592469637 1349634814 /nfs/dbraw/zinc/63/48/14/1349634814.db2.gz RYKKYGBYIZDSPX-CYBMUJFWSA-N -1 1 342.428 2.382 20 0 EEADMM Cc1[nH]sc(=NC(=O)N(C)OCc2ccccc2)c1-c1nn[n-]n1 ZINC001592479460 1349635584 /nfs/dbraw/zinc/63/55/84/1349635584.db2.gz JNRFVFPPYNGTHD-UHFFFAOYSA-N -1 1 345.388 2.227 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C)C1 ZINC001592504510 1349642900 /nfs/dbraw/zinc/64/29/00/1349642900.db2.gz BWVSPLGJDISJLT-JTQLQIEISA-N -1 1 326.360 2.041 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C)C1 ZINC001592504510 1349642906 /nfs/dbraw/zinc/64/29/06/1349642906.db2.gz BWVSPLGJDISJLT-JTQLQIEISA-N -1 1 326.360 2.041 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592533041 1349650041 /nfs/dbraw/zinc/65/00/41/1349650041.db2.gz HCEQBZMPFNQYCN-HIFRSBDPSA-N -1 1 342.790 2.279 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592533041 1349650042 /nfs/dbraw/zinc/65/00/42/1349650042.db2.gz HCEQBZMPFNQYCN-HIFRSBDPSA-N -1 1 342.790 2.279 20 0 EEADMM Clc1sc(N2CCC[C@@H]([C@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592541678 1349654260 /nfs/dbraw/zinc/65/42/60/1349654260.db2.gz KACWZXGPAOVGGM-BDAKNGLRSA-N -1 1 340.840 2.230 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001592544008 1349655057 /nfs/dbraw/zinc/65/50/57/1349655057.db2.gz UESPWINFJOLRHR-ZYHUDNBSSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001592544008 1349655059 /nfs/dbraw/zinc/65/50/59/1349655059.db2.gz UESPWINFJOLRHR-ZYHUDNBSSA-N -1 1 340.391 2.024 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccsc1-c1nnn[n-]1 ZINC001592950320 1349729272 /nfs/dbraw/zinc/72/92/72/1349729272.db2.gz WGWNMFXPDZJMGE-NWDGAFQWSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001592950320 1349729279 /nfs/dbraw/zinc/72/92/79/1349729279.db2.gz WGWNMFXPDZJMGE-NWDGAFQWSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(Nc1cc(C(F)(F)F)no1)c1ccsc1-c1nnn[n-]1 ZINC001593205468 1349746104 /nfs/dbraw/zinc/74/61/04/1349746104.db2.gz LBVXDRZYYRCMIC-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1cc(C(F)(F)F)no1)c1ccsc1-c1nn[n-]n1 ZINC001593205468 1349746106 /nfs/dbraw/zinc/74/61/06/1349746106.db2.gz LBVXDRZYYRCMIC-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1cc2cc[nH]c2cn1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593212883 1349747121 /nfs/dbraw/zinc/74/71/21/1349747121.db2.gz TWIQXRIKJARCOZ-UHFFFAOYSA-N -1 1 344.338 2.477 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001593244297 1349748592 /nfs/dbraw/zinc/74/85/92/1349748592.db2.gz WQYUXVHHUFPHKK-IFXJQAMLSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001593244297 1349748594 /nfs/dbraw/zinc/74/85/94/1349748594.db2.gz WQYUXVHHUFPHKK-IFXJQAMLSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC001593259485 1349753735 /nfs/dbraw/zinc/75/37/35/1349753735.db2.gz ARIFHRIUFKNICK-KGLIPLIRSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1coc2ccc(Cl)cc12 ZINC001593260546 1349754372 /nfs/dbraw/zinc/75/43/72/1349754372.db2.gz NROOAQLRRZFUPW-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1nccn1-c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001593267895 1349756452 /nfs/dbraw/zinc/75/64/52/1349756452.db2.gz LUNLHQBIDKYIKF-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(O[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001593281003 1349761218 /nfs/dbraw/zinc/76/12/18/1349761218.db2.gz SKNKXBKMOFDRSU-CQSZACIVSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001593281003 1349761221 /nfs/dbraw/zinc/76/12/21/1349761221.db2.gz SKNKXBKMOFDRSU-CQSZACIVSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001593298170 1349772155 /nfs/dbraw/zinc/77/21/55/1349772155.db2.gz YUHQXMYKSCNVJW-OLZOCXBDSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001593298170 1349772158 /nfs/dbraw/zinc/77/21/58/1349772158.db2.gz YUHQXMYKSCNVJW-OLZOCXBDSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1ccc2ccccc2n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593299980 1349772623 /nfs/dbraw/zinc/77/26/23/1349772623.db2.gz JZVTUMWWULSWDJ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccc2ccccc2n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593299980 1349772628 /nfs/dbraw/zinc/77/26/28/1349772628.db2.gz JZVTUMWWULSWDJ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](Cc2ccncc2)C1 ZINC001593360945 1349790732 /nfs/dbraw/zinc/79/07/32/1349790732.db2.gz MEQYHVJKYMKOBF-LBPRGKRZSA-N -1 1 340.412 2.028 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccncc2)C1 ZINC001593360945 1349790737 /nfs/dbraw/zinc/79/07/37/1349790737.db2.gz MEQYHVJKYMKOBF-LBPRGKRZSA-N -1 1 340.412 2.028 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ncon1 ZINC001593370754 1349792010 /nfs/dbraw/zinc/79/20/10/1349792010.db2.gz HQSHKUUREMVDMT-JTQLQIEISA-N -1 1 345.388 2.069 20 0 EEADMM c1sc(CNc2ccc(O[C@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001593561462 1349850708 /nfs/dbraw/zinc/85/07/08/1349850708.db2.gz MKLCRYVNNASROI-LBPRGKRZSA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(CNc2ccc(O[C@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001593561462 1349850715 /nfs/dbraw/zinc/85/07/15/1349850715.db2.gz MKLCRYVNNASROI-LBPRGKRZSA-N -1 1 344.400 2.103 20 0 EEADMM Cc1cc(C)nc(N2CCN(CCc3ccccc3C(=O)[O-])CC2)n1 ZINC001600181679 1349987285 /nfs/dbraw/zinc/98/72/85/1349987285.db2.gz LFDUPYFUJZUGNE-UHFFFAOYSA-N -1 1 340.427 2.156 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600189097 1349988759 /nfs/dbraw/zinc/98/87/59/1349988759.db2.gz KCAWSDLZGANBEY-SSDOTTSWSA-N -1 1 338.314 2.447 20 0 EEADMM Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)on1 ZINC001600249494 1350002177 /nfs/dbraw/zinc/00/21/77/1350002177.db2.gz HPBOGHGIZAIVPL-RYUDHWBXSA-N -1 1 347.371 2.124 20 0 EEADMM Cc1ccc([C@@H](CN2CCOCC2)NCc2occc2C(=O)[O-])cc1 ZINC001600375740 1350033724 /nfs/dbraw/zinc/03/37/24/1350033724.db2.gz RTSAEUWYMTYGGQ-QGZVFWFLSA-N -1 1 344.411 2.449 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@H](N)c2ccccc2C)C(=O)[O-])c1 ZINC001600528069 1350073936 /nfs/dbraw/zinc/07/39/36/1350073936.db2.gz SKFCTJJZMLYJSM-FUHWJXTLSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](C)/C=C/C(=O)[O-])c1 ZINC001600532951 1350075685 /nfs/dbraw/zinc/07/56/85/1350075685.db2.gz FOWCJJHGHPVPGK-ZMMKQQPBSA-N -1 1 330.428 2.495 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(CCCO)C(C)C ZINC001600652806 1350108043 /nfs/dbraw/zinc/10/80/43/1350108043.db2.gz ZGTBIQVQXMTQKU-LLVKDONJSA-N -1 1 328.434 2.175 20 0 EEADMM Cc1nc(CN[C@]2(CC(=O)[O-])CCCOC2)sc1Br ZINC001600702078 1350118599 /nfs/dbraw/zinc/11/85/99/1350118599.db2.gz HVDNCFGEFYEAKB-LBPRGKRZSA-N -1 1 349.250 2.328 20 0 EEADMM Cc1nc2cccc(C(=O)Nc3ccn(C(C)(C)C(=O)[O-])n3)c2[nH]1 ZINC001600721018 1350120667 /nfs/dbraw/zinc/12/06/67/1350120667.db2.gz PJARTCJYONKJPY-UHFFFAOYSA-N -1 1 327.344 2.140 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC001600868599 1350156471 /nfs/dbraw/zinc/15/64/71/1350156471.db2.gz FMYPOTBGXJKZOI-OAHLLOKOSA-N -1 1 349.456 2.482 20 0 EEADMM Cn1nc(C(F)(F)F)cc1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001601019553 1350191891 /nfs/dbraw/zinc/19/18/91/1350191891.db2.gz GZTXSVVJOCWAHN-AWEZNQCLSA-N -1 1 342.321 2.314 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(CC(=O)NC3CCCC3)CC2)c1 ZINC001601255704 1350243032 /nfs/dbraw/zinc/24/30/32/1350243032.db2.gz LHBJROKWVFPWIC-UHFFFAOYSA-N -1 1 345.443 2.441 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cnn(C4CCC4)c3)[nH]c21 ZINC001601631808 1350323978 /nfs/dbraw/zinc/32/39/78/1350323978.db2.gz SWQVCOQHCVSBGN-UHFFFAOYSA-N -1 1 325.328 2.435 20 0 EEADMM O=C([O-])[C@@H](NCc1ccncc1OC[C@H]1CCOC1)c1ccccc1 ZINC001601675746 1350335323 /nfs/dbraw/zinc/33/53/23/1350335323.db2.gz CEGBZFKCASORSF-KSSFIOAISA-N -1 1 342.395 2.412 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC001601698892 1350341785 /nfs/dbraw/zinc/34/17/85/1350341785.db2.gz RFDQJRXXPBREQD-HNNXBMFYSA-N -1 1 345.424 2.117 20 0 EEADMM O=C([O-])[C@]1(F)CCN(Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001601717197 1350346907 /nfs/dbraw/zinc/34/69/07/1350346907.db2.gz SOCZLXDMBWWICD-SFHVURJKSA-N -1 1 340.358 2.419 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601717058 1350346948 /nfs/dbraw/zinc/34/69/48/1350346948.db2.gz OPBNRNRVHJXRLN-TZMCWYRMSA-N -1 1 335.297 2.107 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccsc1Cl)C[C@@H]2C(=O)[O-] ZINC001601781545 1350363164 /nfs/dbraw/zinc/36/31/64/1350363164.db2.gz PCJAHDMJARSGRQ-OPASDULOSA-N -1 1 329.805 2.399 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2O)[C@H]([C@@H]2CCCO2)C1 ZINC001601827596 1350374510 /nfs/dbraw/zinc/37/45/10/1350374510.db2.gz PKLMXHWQEATTTB-SWHYSGLUSA-N -1 1 337.347 2.016 20 0 EEADMM O=C([O-])Cc1csc(NC(=O)CNC2(c3ccccc3)CCC2)n1 ZINC001602152239 1350452573 /nfs/dbraw/zinc/45/25/73/1350452573.db2.gz KLPTVHFTEUXOSO-UHFFFAOYSA-N -1 1 345.424 2.378 20 0 EEADMM O=C([O-])Cn1cc(CCN2CCC(=Cc3ccccc3F)CC2)nn1 ZINC001602159471 1350454410 /nfs/dbraw/zinc/45/44/10/1350454410.db2.gz OSIKSQYLHIQJCS-UHFFFAOYSA-N -1 1 344.390 2.224 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2nnc(-c3ccccc3)[nH]2)CC1 ZINC001602213198 1350467412 /nfs/dbraw/zinc/46/74/12/1350467412.db2.gz OAAFRFSHFBCMHL-HDJSIYSDSA-N -1 1 342.399 2.021 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1cc(=O)oc3cc([O-])ccc13)C2 ZINC001602222236 1350469964 /nfs/dbraw/zinc/46/99/64/1350469964.db2.gz MKGZMIYLNXQUNL-SGTLLEGYSA-N -1 1 329.352 2.185 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1cc(=O)oc3cc([O-])ccc13)C2 ZINC001602222236 1350469968 /nfs/dbraw/zinc/46/99/68/1350469968.db2.gz MKGZMIYLNXQUNL-SGTLLEGYSA-N -1 1 329.352 2.185 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)nc1 ZINC001602336311 1350497649 /nfs/dbraw/zinc/49/76/49/1350497649.db2.gz RMZSYZDZTVGVOR-UHFFFAOYSA-N -1 1 345.443 2.441 20 0 EEADMM O=C([O-])c1cccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1Cl ZINC001602438481 1350520020 /nfs/dbraw/zinc/52/00/20/1350520020.db2.gz SUGVCIZOFOWXMG-GFCCVEGCSA-N -1 1 336.819 2.483 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)nn1 ZINC001602495218 1350531882 /nfs/dbraw/zinc/53/18/82/1350531882.db2.gz PTWYJUNPRQOALL-GFCCVEGCSA-N -1 1 343.412 2.423 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCCN(Cc3ccc4scnc4c3)C2)nn1 ZINC001602495218 1350531885 /nfs/dbraw/zinc/53/18/85/1350531885.db2.gz PTWYJUNPRQOALL-GFCCVEGCSA-N -1 1 343.412 2.423 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)s1 ZINC001602510761 1350534820 /nfs/dbraw/zinc/53/48/20/1350534820.db2.gz OWVLDADKGKAUBW-SNVBAGLBSA-N -1 1 346.412 2.462 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001602976244 1350616401 /nfs/dbraw/zinc/61/64/01/1350616401.db2.gz LASLGJSKWBXZMZ-UHFFFAOYSA-N -1 1 328.357 2.087 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001602976244 1350616408 /nfs/dbraw/zinc/61/64/08/1350616408.db2.gz LASLGJSKWBXZMZ-UHFFFAOYSA-N -1 1 328.357 2.087 20 0 EEADMM CC(C)(C)Cc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001603077411 1350634358 /nfs/dbraw/zinc/63/43/58/1350634358.db2.gz PIRMRKUSQFHBTR-UHFFFAOYSA-N -1 1 325.376 2.431 20 0 EEADMM CC(C)(C)Cc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001603077411 1350634363 /nfs/dbraw/zinc/63/43/63/1350634363.db2.gz PIRMRKUSQFHBTR-UHFFFAOYSA-N -1 1 325.376 2.431 20 0 EEADMM CC(C)(C)NC(=O)[C@@H]1CCCN1CCOc1cccc(C(=O)[O-])c1 ZINC001603345482 1350692132 /nfs/dbraw/zinc/69/21/32/1350692132.db2.gz MSAQKCZUFBHGBR-HNNXBMFYSA-N -1 1 334.416 2.143 20 0 EEADMM CC(C)c1nn(C)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603415991 1350703185 /nfs/dbraw/zinc/70/31/85/1350703185.db2.gz SZCCRUQTMWWGKF-UHFFFAOYSA-N -1 1 346.420 2.107 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC001603688552 1350742658 /nfs/dbraw/zinc/74/26/58/1350742658.db2.gz VQFUSHNWSHFKHB-QMMMGPOBSA-N -1 1 335.293 2.271 20 0 EEADMM CC1(C)CCC[C@H]1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603774027 1350763763 /nfs/dbraw/zinc/76/37/63/1350763763.db2.gz QCNXSJCUKDFOKF-VIFPVBQESA-N -1 1 341.462 2.033 20 0 EEADMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc2n1CCN[C@H]2C ZINC001603806162 1350773230 /nfs/dbraw/zinc/77/32/30/1350773230.db2.gz HEFFSNFNZXIORN-ZDUSSCGKSA-N -1 1 335.448 2.361 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)N(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001603868723 1350786758 /nfs/dbraw/zinc/78/67/58/1350786758.db2.gz YRMXRLZVRWSAHS-BBRMVZONSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)N(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001603868723 1350786759 /nfs/dbraw/zinc/78/67/59/1350786759.db2.gz YRMXRLZVRWSAHS-BBRMVZONSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603873600 1350788840 /nfs/dbraw/zinc/78/88/40/1350788840.db2.gz YFFFCOAWDNDDBD-HJQYOEGKSA-N -1 1 347.369 2.443 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603873600 1350788845 /nfs/dbraw/zinc/78/88/45/1350788845.db2.gz YFFFCOAWDNDDBD-HJQYOEGKSA-N -1 1 347.369 2.443 20 0 EEADMM C[C@H]1CCC(F)(F)CN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603878051 1350790441 /nfs/dbraw/zinc/79/04/41/1350790441.db2.gz GWRVVLLTTMDLIH-ZETCQYMHSA-N -1 1 342.737 2.175 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001603903143 1350798669 /nfs/dbraw/zinc/79/86/69/1350798669.db2.gz FHIDWKZDMODBGX-HTQZYQBOSA-N -1 1 340.309 2.151 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC001603903310 1350798894 /nfs/dbraw/zinc/79/88/94/1350798894.db2.gz KFHIUWQAEIBOMV-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC001603903310 1350798899 /nfs/dbraw/zinc/79/88/99/1350798899.db2.gz KFHIUWQAEIBOMV-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]12 ZINC001603924798 1350803110 /nfs/dbraw/zinc/80/31/10/1350803110.db2.gz PHAQSMRAXFAENO-OSMZGAPFSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]12 ZINC001603924798 1350803114 /nfs/dbraw/zinc/80/31/14/1350803114.db2.gz PHAQSMRAXFAENO-OSMZGAPFSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)c2cccc(F)c2O1 ZINC001603936746 1350807094 /nfs/dbraw/zinc/80/70/94/1350807094.db2.gz VSFIGYUMJOREBG-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)c2cccc(F)c2O1 ZINC001603936746 1350807096 /nfs/dbraw/zinc/80/70/96/1350807096.db2.gz VSFIGYUMJOREBG-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCc2ccc(Cl)cc21 ZINC001603938760 1350808319 /nfs/dbraw/zinc/80/83/19/1350808319.db2.gz HJZCAQYHJCSJPX-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCc2ccc(Cl)cc21 ZINC001603938760 1350808322 /nfs/dbraw/zinc/80/83/22/1350808322.db2.gz HJZCAQYHJCSJPX-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM CC(C)c1ccccc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604010185 1350829410 /nfs/dbraw/zinc/82/94/10/1350829410.db2.gz WMGREXRGYMJHCY-HNNXBMFYSA-N -1 1 347.459 2.229 20 0 EEADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604070263 1350846806 /nfs/dbraw/zinc/84/68/06/1350846806.db2.gz QDVRHGBVIIFXFV-WCQGTBRESA-N -1 1 347.423 2.211 20 0 EEADMM CC[C@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CC1 ZINC001604102579 1350858392 /nfs/dbraw/zinc/85/83/92/1350858392.db2.gz DQCYBNDAOCMINH-NSHDSACASA-N -1 1 342.407 2.272 20 0 EEADMM CC[C@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CC1 ZINC001604102579 1350858394 /nfs/dbraw/zinc/85/83/94/1350858394.db2.gz DQCYBNDAOCMINH-NSHDSACASA-N -1 1 342.407 2.272 20 0 EEADMM CC/C=C(\C)C(=O)N(C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001604115633 1350862526 /nfs/dbraw/zinc/86/25/26/1350862526.db2.gz BLFLNQAGSUMPEG-JXMROGBWSA-N -1 1 349.464 2.248 20 0 EEADMM C[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ncc(C(=O)[O-])s1 ZINC001604286247 1350909425 /nfs/dbraw/zinc/90/94/25/1350909425.db2.gz HTBZEBLCUJSTPW-VXNVDRBHSA-N -1 1 335.389 2.002 20 0 EEADMM CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001604329820 1350917368 /nfs/dbraw/zinc/91/73/68/1350917368.db2.gz OQIGAFRCGQJSFD-XPTSAGLGSA-N -1 1 330.787 2.355 20 0 EEADMM CCOc1cccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001604464891 1350942863 /nfs/dbraw/zinc/94/28/63/1350942863.db2.gz KVECWNMAHZISMA-KTKRTIGZSA-N -1 1 336.355 2.312 20 0 EEADMM CCOc1cccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001604464891 1350942867 /nfs/dbraw/zinc/94/28/67/1350942867.db2.gz KVECWNMAHZISMA-KTKRTIGZSA-N -1 1 336.355 2.312 20 0 EEADMM CCOc1cccc(CNc2cc(-c3nnn[n-]3)nc(CC)n2)c1 ZINC001604465565 1350943302 /nfs/dbraw/zinc/94/33/02/1350943302.db2.gz NPVXMNSMQVUYOR-UHFFFAOYSA-N -1 1 325.376 2.230 20 0 EEADMM CCOc1cccc(CNc2cc(-c3nn[n-]n3)nc(CC)n2)c1 ZINC001604465565 1350943304 /nfs/dbraw/zinc/94/33/04/1350943304.db2.gz NPVXMNSMQVUYOR-UHFFFAOYSA-N -1 1 325.376 2.230 20 0 EEADMM CCc1ccc([C@H](C)C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001604521914 1350954396 /nfs/dbraw/zinc/95/43/96/1350954396.db2.gz IHUAOVAOWQJUJL-VIFPVBQESA-N -1 1 325.376 2.203 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](c3ccccc3F)C2)n1 ZINC001604544352 1350958428 /nfs/dbraw/zinc/95/84/28/1350958428.db2.gz KTVKQUXGPAMDGG-NSHDSACASA-N -1 1 339.378 2.352 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](c3ccccc3F)C2)n1 ZINC001604544352 1350958431 /nfs/dbraw/zinc/95/84/31/1350958431.db2.gz KTVKQUXGPAMDGG-NSHDSACASA-N -1 1 339.378 2.352 20 0 EEADMM CCc1nc(Oc2ccc(-n3cccn3)cc2)cc(-c2nnn[n-]2)n1 ZINC001604570935 1350962726 /nfs/dbraw/zinc/96/27/26/1350962726.db2.gz NSVLWQKYQRJBMU-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CCc1nc(Oc2ccc(-n3cccn3)cc2)cc(-c2nn[n-]n2)n1 ZINC001604570935 1350962729 /nfs/dbraw/zinc/96/27/29/1350962729.db2.gz NSVLWQKYQRJBMU-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCc2ccccc21 ZINC001604641654 1350975346 /nfs/dbraw/zinc/97/53/46/1350975346.db2.gz SUZOOLXBXILILM-KRWDZBQOSA-N -1 1 348.410 2.340 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCc2ccccc21 ZINC001604641654 1350975349 /nfs/dbraw/zinc/97/53/49/1350975349.db2.gz SUZOOLXBXILILM-KRWDZBQOSA-N -1 1 348.410 2.340 20 0 EEADMM C[C@H]1[C@H](NCc2cc(C(=O)[O-])co2)CC(=O)N1Cc1ccccc1 ZINC001604645652 1350976358 /nfs/dbraw/zinc/97/63/58/1350976358.db2.gz LIINVDASJHCYCD-BLLLJJGKSA-N -1 1 328.368 2.257 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1Cc1cnn(-c2ccccc2)c1 ZINC001604713611 1350990192 /nfs/dbraw/zinc/99/01/92/1350990192.db2.gz MEPJXSVYTLRTQW-QCSYZSNVSA-N -1 1 341.411 2.467 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1c(F)cccc1Cl ZINC001604790935 1351004569 /nfs/dbraw/zinc/00/45/69/1351004569.db2.gz OYERKPGHNBYFLP-NSHDSACASA-N -1 1 342.798 2.029 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1ccc(F)cc1F ZINC001604795136 1351006229 /nfs/dbraw/zinc/00/62/29/1351006229.db2.gz SEUSMSCCNFRGQD-SNVBAGLBSA-N -1 1 343.399 2.142 20 0 EEADMM COC(=O)[C@@H](Sc1cccnc1-c1nnn[n-]1)c1ccsc1 ZINC001604911207 1351030009 /nfs/dbraw/zinc/03/00/09/1351030009.db2.gz GPTNVIWMEOAVMK-NSHDSACASA-N -1 1 333.398 2.330 20 0 EEADMM COC(=O)[C@@H](Sc1cccnc1-c1nn[n-]n1)c1ccsc1 ZINC001604911207 1351030011 /nfs/dbraw/zinc/03/00/11/1351030011.db2.gz GPTNVIWMEOAVMK-NSHDSACASA-N -1 1 333.398 2.330 20 0 EEADMM COC(=O)c1ccc(N2CC[C@@H](C)C3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001604973063 1351043032 /nfs/dbraw/zinc/04/30/32/1351043032.db2.gz KBQCADZAZSCLJS-LLVKDONJSA-N -1 1 342.403 2.065 20 0 EEADMM COC(=O)c1ccc(N2CC[C@@H](C)C3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001604973063 1351043035 /nfs/dbraw/zinc/04/30/35/1351043035.db2.gz KBQCADZAZSCLJS-LLVKDONJSA-N -1 1 342.403 2.065 20 0 EEADMM COCCOCc1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605113594 1351080394 /nfs/dbraw/zinc/08/03/94/1351080394.db2.gz PRDLMULAWHSWPD-UHFFFAOYSA-N -1 1 340.387 2.037 20 0 EEADMM COCCOCc1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001605113594 1351080398 /nfs/dbraw/zinc/08/03/98/1351080398.db2.gz PRDLMULAWHSWPD-UHFFFAOYSA-N -1 1 340.387 2.037 20 0 EEADMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001605178159 1351096982 /nfs/dbraw/zinc/09/69/82/1351096982.db2.gz CZMZOWASSARIKE-MRXNPFEDSA-N -1 1 349.431 2.479 20 0 EEADMM COc1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c(F)c1 ZINC001605280026 1351123475 /nfs/dbraw/zinc/12/34/75/1351123475.db2.gz FJAVIERYWQPYRE-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cccc([C@@H]2C[C@H](C)CN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605319149 1351135183 /nfs/dbraw/zinc/13/51/83/1351135183.db2.gz DESBLLQNHOMKNU-FZMZJTMJSA-N -1 1 337.387 2.253 20 0 EEADMM COc1ncc(NC(=O)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC001605345946 1351142164 /nfs/dbraw/zinc/14/21/64/1351142164.db2.gz CEIRTNXWKZBYRB-UHFFFAOYSA-N -1 1 336.311 2.269 20 0 EEADMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001605404380 1351154604 /nfs/dbraw/zinc/15/46/04/1351154604.db2.gz JFLVZNUIHJZXNB-SNVBAGLBSA-N -1 1 328.401 2.489 20 0 EEADMM CCN1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C[C@@H]1C ZINC001605479441 1351167743 /nfs/dbraw/zinc/16/77/43/1351167743.db2.gz AIIZYTSYEADHCV-NSHDSACASA-N -1 1 330.388 2.424 20 0 EEADMM CCc1ccc(CN2CCN(c3nccc(C(=O)[O-])n3)CC2)cc1 ZINC001605813079 1351226957 /nfs/dbraw/zinc/22/69/57/1351226957.db2.gz SFOPASLNWWXPFS-UHFFFAOYSA-N -1 1 326.400 2.059 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001605830383 1351230976 /nfs/dbraw/zinc/23/09/76/1351230976.db2.gz KNRZKNRFINKLFV-HOTGVXAUSA-N -1 1 348.443 2.362 20 0 EEADMM Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605832915 1351231803 /nfs/dbraw/zinc/23/18/03/1351231803.db2.gz KYZXKWGLDNTJFO-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001605832915 1351231806 /nfs/dbraw/zinc/23/18/06/1351231806.db2.gz KYZXKWGLDNTJFO-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1ccc(NCCc2nnc(-c3ccccc3)o2)nc1-c1nnn[n-]1 ZINC001605874792 1351243256 /nfs/dbraw/zinc/24/32/56/1351243256.db2.gz QXJQZXBGSSYWHX-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(NCCc2nnc(-c3ccccc3)o2)nc1-c1nn[n-]n1 ZINC001605874792 1351243258 /nfs/dbraw/zinc/24/32/58/1351243258.db2.gz QXJQZXBGSSYWHX-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(NCc2cccnc2OCC(F)F)c(-c2nnn[n-]2)n1 ZINC001605875464 1351243927 /nfs/dbraw/zinc/24/39/27/1351243927.db2.gz NWSGMRWXWMPBBX-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1ccc(NCc2cccnc2OCC(F)F)c(-c2nn[n-]n2)n1 ZINC001605875464 1351243931 /nfs/dbraw/zinc/24/39/31/1351243931.db2.gz NWSGMRWXWMPBBX-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1cccc(C[N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001605913781 1351252715 /nfs/dbraw/zinc/25/27/15/1351252715.db2.gz ZCDZYEHCMAJINW-UHFFFAOYSA-N -1 1 336.399 2.246 20 0 EEADMM Cc1cccc2c1CCN(C(=O)c1csc(-c3nn[n-]n3)c1)C2 ZINC001605930164 1351255833 /nfs/dbraw/zinc/25/58/33/1351255833.db2.gz KVAAALAKUFAFAZ-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1[nH]nc(NC(=O)CC=Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001606013323 1351263687 /nfs/dbraw/zinc/26/36/87/1351263687.db2.gz LWBKOJJBEQBJGE-NSCUHMNNSA-N -1 1 327.323 2.079 20 0 EEADMM CN(CC(=O)Nc1ccsc1C(=O)[O-])CC1(O)CCCCCC1 ZINC001606084619 1351267871 /nfs/dbraw/zinc/26/78/71/1351267871.db2.gz ULOGKYAVMXFJFC-UHFFFAOYSA-N -1 1 340.445 2.402 20 0 EEADMM CN(CCCS(=O)(=O)C(C)(C)C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001606125826 1351275124 /nfs/dbraw/zinc/27/51/24/1351275124.db2.gz AYBYMPCGQPTLKG-CQSZACIVSA-N -1 1 327.446 2.348 20 0 EEADMM O=C(CCCCCc1cccs1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606512339 1351314082 /nfs/dbraw/zinc/31/40/82/1351314082.db2.gz HDAFLLBXZXYHPK-UHFFFAOYSA-N -1 1 331.405 2.393 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@H](C)C2)c1 ZINC001606578133 1351325395 /nfs/dbraw/zinc/32/53/95/1351325395.db2.gz SFWVIYOLFZTGIK-RYUDHWBXSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606668487 1351339626 /nfs/dbraw/zinc/33/96/26/1351339626.db2.gz ZJHOJAUZFKDKGJ-SECBINFHSA-N -1 1 332.795 2.368 20 0 EEADMM CO[C@H](CN[C@H](C(=O)[O-])c1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC001606676405 1351340983 /nfs/dbraw/zinc/34/09/83/1351340983.db2.gz OXGIZDUUFDVLHN-IUPBHXKESA-N -1 1 331.771 2.246 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)F)nc1 ZINC001606830982 1351363535 /nfs/dbraw/zinc/36/35/35/1351363535.db2.gz PGETYKSNVXNLKC-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccnc(C2CC2)c1 ZINC001606832236 1351363841 /nfs/dbraw/zinc/36/38/41/1351363841.db2.gz WLYULORRUXREGT-UHFFFAOYSA-N -1 1 326.385 2.131 20 0 EEADMM O=C(NCc1nccc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606848133 1351366606 /nfs/dbraw/zinc/36/66/06/1351366606.db2.gz SFSLRIPQXILDED-UHFFFAOYSA-N -1 1 340.412 2.132 20 0 EEADMM O=C(NCc1nccc2c1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606848133 1351366611 /nfs/dbraw/zinc/36/66/11/1351366611.db2.gz SFSLRIPQXILDED-UHFFFAOYSA-N -1 1 340.412 2.132 20 0 EEADMM O=C(NOc1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2cc1[O-] ZINC001606863785 1351367734 /nfs/dbraw/zinc/36/77/34/1351367734.db2.gz QIDSXCMCXHVQOQ-UHFFFAOYSA-N -1 1 347.334 2.449 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606893382 1351370678 /nfs/dbraw/zinc/37/06/78/1351370678.db2.gz PCYSZALAWZDPRJ-UHFFFAOYSA-N -1 1 328.307 2.425 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606893382 1351370682 /nfs/dbraw/zinc/37/06/82/1351370682.db2.gz PCYSZALAWZDPRJ-UHFFFAOYSA-N -1 1 328.307 2.425 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](CC(F)(F)F)C1 ZINC001606932883 1351379531 /nfs/dbraw/zinc/37/95/31/1351379531.db2.gz BZXAWARMBCAEHY-QMMMGPOBSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](CC(F)(F)F)C1 ZINC001606932883 1351379532 /nfs/dbraw/zinc/37/95/32/1351379532.db2.gz BZXAWARMBCAEHY-QMMMGPOBSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC(c2ccco2)CC1 ZINC001606941077 1351380734 /nfs/dbraw/zinc/38/07/34/1351380734.db2.gz MVWDQWIPEIWSLP-UHFFFAOYSA-N -1 1 339.359 2.266 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC(c2ccco2)CC1 ZINC001606941077 1351380738 /nfs/dbraw/zinc/38/07/38/1351380738.db2.gz MVWDQWIPEIWSLP-UHFFFAOYSA-N -1 1 339.359 2.266 20 0 EEADMM O=C(Nc1ccnn1CC1CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606944863 1351380920 /nfs/dbraw/zinc/38/09/20/1351380920.db2.gz JCEKLZYSQMEBLD-UHFFFAOYSA-N -1 1 345.313 2.004 20 0 EEADMM O=C(Nc1ccnn1CC1CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606944863 1351380921 /nfs/dbraw/zinc/38/09/21/1351380921.db2.gz JCEKLZYSQMEBLD-UHFFFAOYSA-N -1 1 345.313 2.004 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606950551 1351383264 /nfs/dbraw/zinc/38/32/64/1351383264.db2.gz IOIRSCPIKOUUHS-UHFFFAOYSA-N -1 1 328.313 2.429 20 0 EEADMM COCc1nc(NC(=O)c2cc(C)cc3c[nH]nc32)sc1C(=O)[O-] ZINC001606978379 1351390725 /nfs/dbraw/zinc/39/07/25/1351390725.db2.gz WMZJTMXAZMBCTC-UHFFFAOYSA-N -1 1 346.368 2.425 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CCCc2sccc21 ZINC001606981681 1351391459 /nfs/dbraw/zinc/39/14/59/1351391459.db2.gz BKOGRDRRLNAEHN-GFCCVEGCSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CCCc2sccc21 ZINC001606981681 1351391464 /nfs/dbraw/zinc/39/14/64/1351391464.db2.gz BKOGRDRRLNAEHN-GFCCVEGCSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(OCc1cnc2ccccc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606984806 1351392409 /nfs/dbraw/zinc/39/24/09/1351392409.db2.gz KAUDMIDQRTUMMY-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cnc2ccccc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606984806 1351392413 /nfs/dbraw/zinc/39/24/13/1351392413.db2.gz KAUDMIDQRTUMMY-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](c2ccccn2)C1 ZINC001607027973 1351400413 /nfs/dbraw/zinc/40/04/13/1351400413.db2.gz WNJMWSOTJOLPBC-NSHDSACASA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](c2ccccn2)C1 ZINC001607027973 1351400416 /nfs/dbraw/zinc/40/04/16/1351400416.db2.gz WNJMWSOTJOLPBC-NSHDSACASA-N -1 1 340.412 2.343 20 0 EEADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC001607073342 1351406687 /nfs/dbraw/zinc/40/66/87/1351406687.db2.gz CAFZHBZGDYIEIZ-UHFFFAOYSA-N -1 1 339.446 2.024 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC[C@H]1CC1(Cl)Cl)CCC2 ZINC001607089477 1351413305 /nfs/dbraw/zinc/41/33/05/1351413305.db2.gz WAYFWGBHFHXDGW-VIFPVBQESA-N -1 1 340.214 2.101 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Cl)nc2ccccc12 ZINC001607092317 1351414870 /nfs/dbraw/zinc/41/48/70/1351414870.db2.gz SLIWJWAQHPVRNW-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM COc1ccc(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)c(C)c1OC ZINC001607253457 1351459029 /nfs/dbraw/zinc/45/90/29/1351459029.db2.gz SYLSIQJMZUAGLK-UHFFFAOYSA-N -1 1 331.372 2.033 20 0 EEADMM COc1ccc2nc([C@H](C)NC(=O)c3cc(C(=O)[O-])ccn3)[nH]c2c1 ZINC001607292586 1351466212 /nfs/dbraw/zinc/46/62/12/1351466212.db2.gz GMKXMHFGGZVDNC-VIFPVBQESA-N -1 1 340.339 2.156 20 0 EEADMM C[C@H]1C[C@@H]([N@H+]2CCC[C@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463551 1351497706 /nfs/dbraw/zinc/49/77/06/1351497706.db2.gz YNVQSISBZQGKRO-ZMLRMANQSA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1C[C@@H](N2CCC[C@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463551 1351497708 /nfs/dbraw/zinc/49/77/08/1351497708.db2.gz YNVQSISBZQGKRO-ZMLRMANQSA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1CN([C@@H]2CCN(c3c(F)cccc3F)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607475023 1351499855 /nfs/dbraw/zinc/49/98/55/1351499855.db2.gz ZOUJTLBXFIVRHE-GDKCJGSASA-N -1 1 338.354 2.113 20 0 EEADMM Cc1cc(C(=O)[O-])nc(NC[C@H](C)N2CCc3sccc3C2)n1 ZINC001607600937 1351522300 /nfs/dbraw/zinc/52/23/00/1351522300.db2.gz DGUKONXXEQXLQV-NSHDSACASA-N -1 1 332.429 2.403 20 0 EEADMM Cc1cc(CCC(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])n[nH]1 ZINC001607638222 1351530649 /nfs/dbraw/zinc/53/06/49/1351530649.db2.gz OKRPJOGVVPDVSY-BBRMVZONSA-N -1 1 329.400 2.099 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001607921202 1351585937 /nfs/dbraw/zinc/58/59/37/1351585937.db2.gz KINIXVVTMWCUSM-UHFFFAOYSA-N -1 1 326.312 2.253 20 0 EEADMM Cn1c(CNCc2cccc(OCC(F)(F)F)n2)ccc1C(=O)[O-] ZINC001608088585 1351622663 /nfs/dbraw/zinc/62/26/63/1351622663.db2.gz WKRSOOONNAYBDZ-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM Cn1nccc1[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001608164293 1351639039 /nfs/dbraw/zinc/63/90/39/1351639039.db2.gz HRSWEHTXNSNLDI-OAHLLOKOSA-N -1 1 345.399 2.291 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC001608332838 1351672940 /nfs/dbraw/zinc/67/29/40/1351672940.db2.gz MZYCLMGHDCWCDY-LSDHHAIUSA-N -1 1 346.427 2.462 20 0 EEADMM CSc1nc(CNC(=O)c2c[nH]nc2-c2ccccc2)cc(=O)[n-]1 ZINC001627723920 1352507632 /nfs/dbraw/zinc/50/76/32/1352507632.db2.gz FMLJIUWNYZUOGY-UHFFFAOYSA-N -1 1 341.396 2.224 20 0 EEADMM CCn1nnnc1-c1cccc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001629478813 1352553885 /nfs/dbraw/zinc/55/38/85/1352553885.db2.gz QMITWVVISYNVBJ-UHFFFAOYSA-N -1 1 327.319 2.457 20 0 EEADMM Cc1cnc(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[n-]c1=O ZINC001643947703 1352756107 /nfs/dbraw/zinc/75/61/07/1352756107.db2.gz RFDZTHHHGGNQGZ-QMMMGPOBSA-N -1 1 345.384 2.192 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1scnc1C ZINC001647091043 1353135800 /nfs/dbraw/zinc/13/58/00/1353135800.db2.gz FOHJEZHBGRBUTL-UHFFFAOYSA-N -1 1 334.369 2.217 20 0 EEADMM O=S(=O)([N-]c1ccc2ncoc2c1)c1ccc2c(c1)OCCO2 ZINC000074838389 1354368416 /nfs/dbraw/zinc/36/84/16/1354368416.db2.gz CJGXYVZBYONXCC-UHFFFAOYSA-N -1 1 332.337 2.400 20 0 EEADMM CSc1nc(CNC(=O)Nc2nn(C)c3ccccc32)cc(=O)[n-]1 ZINC001675091971 1356932619 /nfs/dbraw/zinc/93/26/19/1356932619.db2.gz FOTBMJLUZVKLIT-UHFFFAOYSA-N -1 1 344.400 2.113 20 0 EEADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555571 1368159137 /nfs/dbraw/zinc/15/91/37/1368159137.db2.gz AVJBYBJPLSATML-UHFFFAOYSA-N -1 1 335.776 2.321 20 0 EEADMM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192893710 1368436588 /nfs/dbraw/zinc/43/65/88/1368436588.db2.gz GLVSKHAXWQGFOM-UHFFFAOYSA-N -1 1 343.767 2.035 20 0 EEADMM Cc1ccc(CO)c([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198153712 1368625141 /nfs/dbraw/zinc/62/51/41/1368625141.db2.gz RAAHIAYUNMUYLG-UHFFFAOYSA-N -1 1 329.381 2.231 20 0 EEADMM COc1cccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1OC ZINC001198729961 1368641295 /nfs/dbraw/zinc/64/12/95/1368641295.db2.gz 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2.312 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc3c2C(=O)OC3(C)C)n1 ZINC001361441247 1373292203 /nfs/dbraw/zinc/29/22/03/1373292203.db2.gz YBSFHZJSSOOEAX-UHFFFAOYSA-N -1 1 343.339 2.244 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC001363207183 1373493549 /nfs/dbraw/zinc/49/35/49/1373493549.db2.gz SDXORXUWANKCRJ-UHFFFAOYSA-N -1 1 339.344 2.196 20 0 EEADMM Cc1ccoc1CNC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001365177970 1373678830 /nfs/dbraw/zinc/67/88/30/1373678830.db2.gz BIKVWURQJZOUNX-QWRGUYRKSA-N -1 1 347.337 2.329 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CCCC2CC2)CN1C(=O)c1ncccc1[O-] ZINC001370876179 1375095121 /nfs/dbraw/zinc/09/51/21/1375095121.db2.gz ZQNJQYASSLBUIG-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM CCC(C)(C)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372065336 1375746824 /nfs/dbraw/zinc/74/68/24/1375746824.db2.gz AFJIGQPQVBWRBF-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001372190445 1375841207 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EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ccco1)c1ncccc1[O-] ZINC001375877626 1378095301 /nfs/dbraw/zinc/09/53/01/1378095301.db2.gz PEBRHGREZYMQQC-ZDUSSCGKSA-N -1 1 343.383 2.195 20 0 EEADMM CCC(CC)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001380685917 1381338235 /nfs/dbraw/zinc/33/82/35/1381338235.db2.gz YAENAQDYYOINBJ-QDMKHBRRSA-N -1 1 349.479 2.196 20 0 EEADMM CCCC[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ncccc1[O-] ZINC001381076379 1381501472 /nfs/dbraw/zinc/50/14/72/1381501472.db2.gz DNVWTBMJEZITHJ-SOUVJXGZSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](NC(=O)C(C)(C)C1CCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001381209256 1381559922 /nfs/dbraw/zinc/55/99/22/1381559922.db2.gz JPYUFPQGELOYSQ-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CCC(CC)C(=O)N[C@H](C)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001381991189 1381902649 /nfs/dbraw/zinc/90/26/49/1381902649.db2.gz QOXPKDAIRKYAES-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM Cc1ccc(C)c(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001382946151 1382303846 /nfs/dbraw/zinc/30/38/46/1382303846.db2.gz BLKVJLNCYLLPBJ-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ccoc1)NC(=O)c1ncccc1[O-] ZINC001383177792 1382378048 /nfs/dbraw/zinc/37/80/48/1382378048.db2.gz JSXVTAKTSJVVRJ-CQSZACIVSA-N -1 1 345.399 2.297 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCCC1CC1 ZINC001383560023 1382557844 /nfs/dbraw/zinc/55/78/44/1382557844.db2.gz AATXZSLULOJNRJ-STQMWFEESA-N -1 1 333.432 2.381 20 0 EEADMM CCCC1(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001384547160 1384674424 /nfs/dbraw/zinc/67/44/24/1384674424.db2.gz ZLQXUULXLNBXLT-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001384715394 1385250074 /nfs/dbraw/zinc/25/00/74/1385250074.db2.gz ILJVZYJQZPJTPQ-OCCSQVGLSA-N -1 1 333.432 2.333 20 0 EEADMM CCCC[C@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385254406 1385403443 /nfs/dbraw/zinc/40/34/43/1385403443.db2.gz PFESMIBJWNJWJT-UONOGXRCSA-N -1 1 333.432 2.286 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(=O)CC1CCC1 ZINC001385986975 1385949148 /nfs/dbraw/zinc/94/91/48/1385949148.db2.gz XNSJDXKOMIGAAM-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001391427635 1389355052 /nfs/dbraw/zinc/35/50/52/1389355052.db2.gz DGDLKVCMKXRAKH-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cnc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)c2ncccc2[O-])s1 ZINC001394430213 1390693705 /nfs/dbraw/zinc/69/37/05/1390693705.db2.gz VFZHLBNDLCVLIY-CYBMUJFWSA-N -1 1 346.456 2.193 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccsc1C ZINC001398221516 1391893436 /nfs/dbraw/zinc/89/34/36/1391893436.db2.gz DCVNQDJCVREZGR-UHFFFAOYSA-N -1 1 347.440 2.439 20 0 EEADMM CC(C)CCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398479719 1392985364 /nfs/dbraw/zinc/98/53/64/1392985364.db2.gz MEUSRBFIEPGCEZ-AWEZNQCLSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC(C)(C)C1 ZINC001399571064 1395262819 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C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)Cc2ccccc2O1 ZINC001576361633 1403568576 /nfs/dbraw/zinc/56/85/76/1403568576.db2.gz WIYMOJQROZTAAB-JTQLQIEISA-N -1 1 328.401 2.106 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)Cc2ccccc2O1 ZINC001576361633 1403568581 /nfs/dbraw/zinc/56/85/81/1403568581.db2.gz WIYMOJQROZTAAB-JTQLQIEISA-N -1 1 328.401 2.106 20 0 EEADMM CC[C@H](C)[C@H](C)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001576611061 1403591580 /nfs/dbraw/zinc/59/15/80/1403591580.db2.gz MPYIDSLRTHUZIM-WPRPVWTQSA-N -1 1 341.412 2.027 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576617751 1403592649 /nfs/dbraw/zinc/59/26/49/1403592649.db2.gz QWKHAYPYXAMCBD-GXFFZTMASA-N -1 1 344.419 2.317 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001578522963 1403768225 /nfs/dbraw/zinc/76/82/25/1403768225.db2.gz IFCCOIKIAFNCBR-GFCCVEGCSA-N -1 1 336.399 2.244 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001578522963 1403768232 /nfs/dbraw/zinc/76/82/32/1403768232.db2.gz IFCCOIKIAFNCBR-GFCCVEGCSA-N -1 1 336.399 2.244 20 0 EEADMM COc1cccc(C2=CCN(C(=O)c3coc(-c4nnn[n-]4)c3)C2)c1 ZINC001580063812 1403819490 /nfs/dbraw/zinc/81/94/90/1403819490.db2.gz RKSYGWOTDAJEOE-UHFFFAOYSA-N -1 1 337.339 2.008 20 0 EEADMM COc1cccc(C2=CCN(C(=O)c3coc(-c4nn[n-]n4)c3)C2)c1 ZINC001580063812 1403819496 /nfs/dbraw/zinc/81/94/96/1403819496.db2.gz RKSYGWOTDAJEOE-UHFFFAOYSA-N -1 1 337.339 2.008 20 0 EEADMM Cc1ccc(F)c(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC001581204308 1403877420 /nfs/dbraw/zinc/87/74/20/1403877420.db2.gz OGNWNFQHLLIWKD-UHFFFAOYSA-N -1 1 327.319 2.201 20 0 EEADMM CO[C@H](Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)C1CCCC1 ZINC001591334873 1403906178 /nfs/dbraw/zinc/90/61/78/1403906178.db2.gz XDFLFYFGOSWHRA-MRXNPFEDSA-N -1 1 339.399 2.387 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591890847 1403970044 /nfs/dbraw/zinc/97/00/44/1403970044.db2.gz GSYDGAJAWGPPGZ-SNVBAGLBSA-N -1 1 341.423 2.398 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591890847 1403970055 /nfs/dbraw/zinc/97/00/55/1403970055.db2.gz GSYDGAJAWGPPGZ-SNVBAGLBSA-N -1 1 341.423 2.398 20 0 EEADMM Cc1ccc(C(F)(F)C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001592136650 1404003117 /nfs/dbraw/zinc/00/31/17/1404003117.db2.gz SUVQSFWPUCVZSO-UHFFFAOYSA-N -1 1 330.298 2.301 20 0 EEADMM Cc1ccc(C(F)(F)C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001592136650 1404003123 /nfs/dbraw/zinc/00/31/23/1404003123.db2.gz SUVQSFWPUCVZSO-UHFFFAOYSA-N -1 1 330.298 2.301 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001592137582 1404004847 /nfs/dbraw/zinc/00/48/47/1404004847.db2.gz LBUOIKZQYRVXTH-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001592137582 1404004857 /nfs/dbraw/zinc/00/48/57/1404004857.db2.gz LBUOIKZQYRVXTH-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1nsc(NC(=O)N(C)C[C@@H]2CC=CCC2)c1-c1nnn[n-]1 ZINC001592480249 1404699491 /nfs/dbraw/zinc/69/94/91/1404699491.db2.gz VLDGJQLKRVZAHK-SNVBAGLBSA-N -1 1 333.421 2.452 20 0 EEADMM Cc1nsc(NC(=O)N(C)C[C@@H]2CC=CCC2)c1-c1nn[n-]n1 ZINC001592480249 1404699503 /nfs/dbraw/zinc/69/95/03/1404699503.db2.gz VLDGJQLKRVZAHK-SNVBAGLBSA-N -1 1 333.421 2.452 20 0 EEADMM NC(=O)Nc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001592731833 1404719009 /nfs/dbraw/zinc/71/90/09/1404719009.db2.gz QGDGREIWSSGXKZ-UHFFFAOYSA-N -1 1 333.352 2.170 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1csc(-c2nn[n-]n2)c1 ZINC001593030814 1404736276 /nfs/dbraw/zinc/73/62/76/1404736276.db2.gz XHCJHKXAMFIXCI-NSHDSACASA-N -1 1 333.417 2.150 20 0 EEADMM Cc1nc(-c2cccc(NCc3nc(-c4nnn[n-]4)cs3)c2)no1 ZINC001606018433 1404756572 /nfs/dbraw/zinc/75/65/72/1404756572.db2.gz WVOCXAHQMCFLPY-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1nc(-c2cccc(NCc3nc(-c4nn[n-]n4)cs3)c2)no1 ZINC001606018433 1404756576 /nfs/dbraw/zinc/75/65/76/1404756576.db2.gz WVOCXAHQMCFLPY-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1nc(NC[C@@H](O)c2ccc3ccccc3c2)cc(-c2nnn[n-]2)n1 ZINC001606068213 1404761630 /nfs/dbraw/zinc/76/16/30/1404761630.db2.gz XWQZQPGNZXTHTQ-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1nc(NC[C@@H](O)c2ccc3ccccc3c2)cc(-c2nn[n-]n2)n1 ZINC001606068213 1404761635 /nfs/dbraw/zinc/76/16/35/1404761635.db2.gz XWQZQPGNZXTHTQ-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H](C)[C@@H]1C ZINC001606171252 1404773166 /nfs/dbraw/zinc/77/31/66/1404773166.db2.gz YSCPMOQXVACCHJ-ZJUUUORDSA-N -1 1 326.360 2.039 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H](C)[C@@H]1C ZINC001606171252 1404773167 /nfs/dbraw/zinc/77/31/67/1404773167.db2.gz YSCPMOQXVACCHJ-ZJUUUORDSA-N -1 1 326.360 2.039 20 0 EEADMM Cc1sc2ncn(Cc3ccc(-c4nn[n-]n4)s3)c(=O)c2c1C ZINC001606182741 1404774373 /nfs/dbraw/zinc/77/43/73/1404774373.db2.gz FZFBKGGZPYGVSR-UHFFFAOYSA-N -1 1 344.425 2.365 20 0 EEADMM Clc1ccc(OCCn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001606193732 1404775817 /nfs/dbraw/zinc/77/58/17/1404775817.db2.gz RWBIJRPRGHUHPA-UHFFFAOYSA-N -1 1 329.751 2.048 20 0 EEADMM FC(F)(F)c1ccnc(SCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001606292930 1404779595 /nfs/dbraw/zinc/77/95/95/1404779595.db2.gz ANQLYZFJUAGNAT-UHFFFAOYSA-N -1 1 345.335 2.424 20 0 EEADMM FC(F)(F)c1ccnc(SCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001606292930 1404779605 /nfs/dbraw/zinc/77/96/05/1404779605.db2.gz ANQLYZFJUAGNAT-UHFFFAOYSA-N -1 1 345.335 2.424 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001606293200 1404780108 /nfs/dbraw/zinc/78/01/08/1404780108.db2.gz IWOMEFQNHMPQMX-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001606293200 1404780113 /nfs/dbraw/zinc/78/01/13/1404780113.db2.gz IWOMEFQNHMPQMX-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1ccc(CCCCCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001606318203 1404790249 /nfs/dbraw/zinc/79/02/49/1404790249.db2.gz GBQKDQWRWMDUPS-UHFFFAOYSA-N -1 1 327.367 2.043 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(F)c1 ZINC001606326302 1404794063 /nfs/dbraw/zinc/79/40/63/1404794063.db2.gz CDBTUKAHQYJCAU-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(F)c1 ZINC001606326302 1404794071 /nfs/dbraw/zinc/79/40/71/1404794071.db2.gz CDBTUKAHQYJCAU-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2C)c1 ZINC001645542469 1404826507 /nfs/dbraw/zinc/82/65/07/1404826507.db2.gz PNPHTRPSNPTJIH-UHFFFAOYSA-N -1 1 334.397 2.041 20 0 EEADMM CCC[C@@H](NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000185062552 1406054765 /nfs/dbraw/zinc/05/47/65/1406054765.db2.gz PVIRANQLBYHCLD-OAHLLOKOSA-N -1 1 344.415 2.271 20 0 EEADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)C1CC1 ZINC001756312143 1408315331 /nfs/dbraw/zinc/31/53/31/1408315331.db2.gz CGZAWDNKEKUYSX-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@@H]1C=CCCC1 ZINC001756445388 1408500713 /nfs/dbraw/zinc/50/07/13/1408500713.db2.gz LVMUISOCBGBBBT-UONOGXRCSA-N -1 1 331.416 2.110 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1CC1CC1 ZINC001771829037 1409960221 /nfs/dbraw/zinc/96/02/21/1409960221.db2.gz PVMCMUGGVNAKJL-ZDUSSCGKSA-N -1 1 347.459 2.136 20 0 EEADMM CSCC[C@H](NC(=O)C(F)(F)c1ccccc1C)c1nn[n-]n1 ZINC001771923650 1409981471 /nfs/dbraw/zinc/98/14/71/1409981471.db2.gz IZQMTTQTSXEGHG-NSHDSACASA-N -1 1 341.387 2.211 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccc3c(c2)CC(=O)N3)[n-]1 ZINC000796818056 757141035 /nfs/dbraw/zinc/14/10/35/757141035.db2.gz NBYSEELJUZUSJP-SECBINFHSA-N -1 1 328.324 2.214 20 0 EEADMM CSc1nnc(C[N-]S(=O)(=O)c2coc3ccccc32)s1 ZINC001211572736 760945148 /nfs/dbraw/zinc/94/51/48/760945148.db2.gz PMIWMRLGEFZEAN-UHFFFAOYSA-N -1 1 341.439 2.485 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001104623665 764564067 /nfs/dbraw/zinc/56/40/67/764564067.db2.gz DUWYCOZDKDWKHX-ZIAGYGMSSA-N -1 1 349.479 2.055 20 0 EEADMM Cc1cnc(C)nc1NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001125856633 764965469 /nfs/dbraw/zinc/96/54/69/764965469.db2.gz DJCCDBIBJLLUHQ-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM C[C@@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000921451433 773381748 /nfs/dbraw/zinc/38/17/48/773381748.db2.gz PREVBZPRYCGTJJ-NSHDSACASA-N -1 1 349.884 2.337 20 0 EEADMM CC(C)c1cnc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027841630 773389709 /nfs/dbraw/zinc/38/97/09/773389709.db2.gz JLKKHUXWUWBIPG-ZDUSSCGKSA-N -1 1 344.415 2.293 20 0 EEADMM O=C(C[C@@H]1C=CCC1)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980032964 773750743 /nfs/dbraw/zinc/75/07/43/773750743.db2.gz GGFBXLIOQTWAFL-WLYUNCDWSA-N -1 1 343.427 2.301 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980394342 774510104 /nfs/dbraw/zinc/51/01/04/774510104.db2.gz HAOSMZCBLIITNP-MNUAXYBXSA-N -1 1 345.443 2.094 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000939016226 775200716 /nfs/dbraw/zinc/20/07/16/775200716.db2.gz NTFWDDCCFXXPFQ-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000980874079 775869950 /nfs/dbraw/zinc/86/99/50/775869950.db2.gz JIIJPJVDEJHTSD-WCQYABFASA-N -1 1 345.424 2.177 20 0 EEADMM CC(C)Cc1nsc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001058879192 777141170 /nfs/dbraw/zinc/14/11/70/777141170.db2.gz SKTUDVYFJYZDOB-NSHDSACASA-N -1 1 347.444 2.164 20 0 EEADMM Cc1cc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)no1 ZINC000940701943 779145035 /nfs/dbraw/zinc/14/50/35/779145035.db2.gz ALSMOVJXYXRWII-HNNXBMFYSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CCc2ccc(Cl)cc2)c1[O-] ZINC001038164517 779791350 /nfs/dbraw/zinc/79/13/50/779791350.db2.gz KPJURXHOUPMHSU-AWEZNQCLSA-N -1 1 348.834 2.124 20 0 EEADMM COc1cccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1OC ZINC000067079936 780551944 /nfs/dbraw/zinc/55/19/44/780551944.db2.gz PXVBYRXCFFHSJF-UHFFFAOYSA-N -1 1 348.428 2.265 20 0 EEADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccccc1Oc1ccccc1 ZINC000060862590 790804765 /nfs/dbraw/zinc/80/47/65/790804765.db2.gz RMDIHCUFIDJKBD-UHFFFAOYSA-N -1 1 339.376 2.306 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nncc3cnccc32)Cc2ccccc2C1 ZINC001167934831 780990393 /nfs/dbraw/zinc/99/03/93/780990393.db2.gz VRGGHMKDRGVFJC-UHFFFAOYSA-N -1 1 342.295 2.110 20 0 EEADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)n1 ZINC001063364863 790848360 /nfs/dbraw/zinc/84/83/60/790848360.db2.gz MWLNSMHGNSKHSQ-XYPYZODXSA-N -1 1 333.417 2.100 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1(F)CCCC1 ZINC000945284468 783764879 /nfs/dbraw/zinc/76/48/79/783764879.db2.gz OXUCSMWLIZJATC-OLZOCXBDSA-N -1 1 349.406 2.036 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1CC(C)(C)C1 ZINC000945288520 783782460 /nfs/dbraw/zinc/78/24/60/783782460.db2.gz LHWYDDVWUMEHBA-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM CN1C(=O)CC[C@@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816590652 784124675 /nfs/dbraw/zinc/12/46/75/784124675.db2.gz HMYQWPDMBGGHHV-MRVPVSSYSA-N -1 1 347.596 2.367 20 0 EEADMM C[C@H](NC(=O)c1cnn[nH]1)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000945600320 784438341 /nfs/dbraw/zinc/43/83/41/784438341.db2.gz JKQHYLOAHWWPJN-ZFWWWQNUSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000945660082 784580686 /nfs/dbraw/zinc/58/06/86/784580686.db2.gz WAIKIVDAFBKDTJ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477143 784647323 /nfs/dbraw/zinc/64/73/23/784647323.db2.gz RCRLASJAKBVAKM-LSDHHAIUSA-N -1 1 345.472 2.394 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000907446125 784650075 /nfs/dbraw/zinc/65/00/75/784650075.db2.gz WZGZGZNSIGBNMD-LJQANCHMSA-N -1 1 337.379 2.331 20 0 EEADMM Cn1ccc(CN2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)n1 ZINC000817294327 784661766 /nfs/dbraw/zinc/66/17/66/784661766.db2.gz RDBBJYGNLMICSZ-CYBMUJFWSA-N -1 1 338.333 2.030 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000907483330 784668959 /nfs/dbraw/zinc/66/89/59/784668959.db2.gz VYOCNQXRLXLXLM-HZMBPMFUSA-N -1 1 349.399 2.193 20 0 EEADMM C[C@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000907479331 784685471 /nfs/dbraw/zinc/68/54/71/784685471.db2.gz CNILOYXTDIABAW-JOYOIKCWSA-N -1 1 337.836 2.273 20 0 EEADMM O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1ccc([O-])c(F)c1 ZINC000804123166 784878297 /nfs/dbraw/zinc/87/82/97/784878297.db2.gz PBEIOZFHHRLCAJ-CYBMUJFWSA-N -1 1 343.314 2.045 20 0 EEADMM CCCc1cc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)n[nH]1 ZINC000908141061 785120239 /nfs/dbraw/zinc/12/02/39/785120239.db2.gz GSVGECSQYYKHDI-UHFFFAOYSA-N -1 1 329.356 2.095 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](c2ccncc2)C2CC2)c1 ZINC000908390803 785380084 /nfs/dbraw/zinc/38/00/84/785380084.db2.gz SQULAESYKICDCE-MRXNPFEDSA-N -1 1 334.397 2.225 20 0 EEADMM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000819071425 785413198 /nfs/dbraw/zinc/41/31/98/785413198.db2.gz ROYJMMYALUFGOS-CQSZACIVSA-N -1 1 336.819 2.422 20 0 EEADMM Cc1ccoc1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946127490 785618965 /nfs/dbraw/zinc/61/89/65/785618965.db2.gz XPCVKMBDFFPRNU-OLZOCXBDSA-N -1 1 343.383 2.017 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCc2nn[nH]c21 ZINC000908706933 785660678 /nfs/dbraw/zinc/66/06/78/785660678.db2.gz BRLKKIYZKYIJCH-SSDOTTSWSA-N -1 1 337.177 2.331 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccc(F)c1)N(C)C)C1CC1 ZINC000908755469 785702579 /nfs/dbraw/zinc/70/25/79/785702579.db2.gz YHLHCFRRGPNNPS-XHDPSFHLSA-N -1 1 337.395 2.076 20 0 EEADMM CCCN(C(=O)NC[C@H](c1ccsc1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908814221 785748420 /nfs/dbraw/zinc/74/84/20/785748420.db2.gz OPYASJYCSVYRKB-WCQYABFASA-N -1 1 327.450 2.246 20 0 EEADMM CCC(CC)(NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000908914455 785832089 /nfs/dbraw/zinc/83/20/89/785832089.db2.gz XQRQIZGWGNWXIT-CQSZACIVSA-N -1 1 347.459 2.376 20 0 EEADMM 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Cc1ccc(OCCCC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742281 794200148 /nfs/dbraw/zinc/20/01/48/794200148.db2.gz SDUOYWIMXBUWOW-UHFFFAOYSA-N -1 1 329.404 2.073 20 0 EEADMM COc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(OC(C)C)c1 ZINC000913744766 794210155 /nfs/dbraw/zinc/21/01/55/794210155.db2.gz COTADYOGOLKCRK-UHFFFAOYSA-N -1 1 345.403 2.015 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C\c3ccccc3)C[C@H]2C)c1[O-] ZINC001079578090 794957191 /nfs/dbraw/zinc/95/71/91/794957191.db2.gz ZXOJFUJGXBVBIQ-XHTKRDSESA-N -1 1 340.427 2.187 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C)c1[O-] ZINC001079579680 794959243 /nfs/dbraw/zinc/95/92/43/794959243.db2.gz TXSWNURCYMJXFO-QMTHXVAHSA-N -1 1 348.834 2.327 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)C1CCC=CCC1 ZINC000946538703 795671705 /nfs/dbraw/zinc/67/17/05/795671705.db2.gz NQJBODOYYMLLMK-UHFFFAOYSA-N -1 1 343.427 2.254 20 0 EEADMM CCN(C(=O)CCC1(C)CC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080437810 796008667 /nfs/dbraw/zinc/00/86/67/796008667.db2.gz KFHWQVMKJNZQBO-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(CNC(=O)C(F)F)cc1 ZINC001060547732 796284665 /nfs/dbraw/zinc/28/46/65/796284665.db2.gz XOWZMHPYNXMFSV-SNVBAGLBSA-N -1 1 349.337 2.160 20 0 EEADMM CCN(CCNc1nc(C(C)C)ns1)C(=O)c1ncccc1[O-] ZINC001106727020 796296063 /nfs/dbraw/zinc/29/60/63/796296063.db2.gz GAHCCTUITWBJIE-UHFFFAOYSA-N -1 1 335.433 2.336 20 0 EEADMM COCCOc1ccccc1Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001212636976 796861624 /nfs/dbraw/zinc/86/16/24/796861624.db2.gz PCWKYSZHUCFLCG-UHFFFAOYSA-N -1 1 333.348 2.415 20 0 EEADMM COC(=O)COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001212659035 796985850 /nfs/dbraw/zinc/98/58/50/796985850.db2.gz VEEAKPKMDWRKRS-UHFFFAOYSA-N -1 1 342.307 2.189 20 0 EEADMM CC(C)C1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001082024243 797082730 /nfs/dbraw/zinc/08/27/30/797082730.db2.gz OVIBCCJYLDCJNT-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])C=CCC1 ZINC001082024270 797082854 /nfs/dbraw/zinc/08/28/54/797082854.db2.gz QCUBOXYPOIAXPP-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)(O)c1cncc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)c1 ZINC001174591607 797799135 /nfs/dbraw/zinc/79/91/35/797799135.db2.gz IAIQIUZFJLLLKR-UHFFFAOYSA-N -1 1 341.820 2.345 20 0 EEADMM CCO[C@@H](C)n1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])cn1 ZINC001174702116 797843527 /nfs/dbraw/zinc/84/35/27/797843527.db2.gz NKVBHOJVHQZPFS-JTQLQIEISA-N -1 1 325.390 2.291 20 0 EEADMM CC(C)[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000780692979 798088692 /nfs/dbraw/zinc/08/86/92/798088692.db2.gz XJFPALYJHCIKRT-CJNGLKHVSA-N -1 1 348.447 2.015 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2cc(=O)n3cc(C)sc3n2)n1 ZINC000917513134 798258706 /nfs/dbraw/zinc/25/87/06/798258706.db2.gz NLEIPEQBBOQEBF-UHFFFAOYSA-N -1 1 334.426 2.415 20 0 EEADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3ccccc3N)c2)o1 ZINC001175996732 798311606 /nfs/dbraw/zinc/31/16/06/798311606.db2.gz BEJQVHPCUBBRDP-UHFFFAOYSA-N -1 1 330.369 2.428 20 0 EEADMM O=C(NC1CCN(Cc2coc(C3CC3)n2)CC1)c1ncccc1[O-] ZINC001002665682 798418773 /nfs/dbraw/zinc/41/87/73/798418773.db2.gz SWSUFINXFNJVEB-UHFFFAOYSA-N -1 1 342.399 2.047 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065826278 799596745 /nfs/dbraw/zinc/59/67/45/799596745.db2.gz PMFGYJUEMPZOAK-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM O=C([N-][C@@H]1CCc2[nH]c(=O)ccc2C1)C(F)(F)C(F)(F)Cl ZINC001179779918 800084162 /nfs/dbraw/zinc/08/41/62/800084162.db2.gz LIZFHMBWLMOHIN-SSDOTTSWSA-N -1 1 326.677 2.228 20 0 EEADMM O=C([C@@H]1CCC[C@H]1c1ccccc1)N1CCC(c2nn[n-]n2)CC1 ZINC000827720714 800504801 /nfs/dbraw/zinc/50/48/01/800504801.db2.gz JRRQDPMBQMCTMU-JKSUJKDBSA-N -1 1 325.416 2.490 20 0 EEADMM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(=O)CCc1ccccc1 ZINC001180965290 800621063 /nfs/dbraw/zinc/62/10/63/800621063.db2.gz HGJWHCLMTUVHMH-UHFFFAOYSA-N -1 1 345.326 2.458 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2cccc(F)c2F)C1 ZINC001033025547 800917738 /nfs/dbraw/zinc/91/77/38/800917738.db2.gz NQXZSYSFNJWGPS-CYBMUJFWSA-N -1 1 347.365 2.412 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2ccc(Cl)nc2)C1 ZINC001033025837 800921876 /nfs/dbraw/zinc/92/18/76/800921876.db2.gz PRHSICPIMOBEEV-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM Cc1nc(CN2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)c(C)s1 ZINC001033036534 801031269 /nfs/dbraw/zinc/03/12/69/801031269.db2.gz REUYJKBTTBGPER-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)COc2ccc(Cl)cc2F)n1 ZINC001182487943 801226314 /nfs/dbraw/zinc/22/63/14/801226314.db2.gz GUFHLJRPITXCMX-UHFFFAOYSA-N -1 1 341.726 2.396 20 0 EEADMM [O-]C(Nc1ccncc1Oc1ccccc1)=C(CO)C(F)(F)F ZINC001183280347 801531976 /nfs/dbraw/zinc/53/19/76/801531976.db2.gz SKWDNTXQOXLVLE-NSHDSACASA-N -1 1 326.274 2.405 20 0 EEADMM CSc1nc(NC(=O)Cc2ccc3nc(N)sc3c2)cc(=O)[n-]1 ZINC001183297083 801551021 /nfs/dbraw/zinc/55/10/21/801551021.db2.gz ATZINJCXNUTHFP-UHFFFAOYSA-N -1 1 347.425 2.277 20 0 EEADMM COc1ccc(C(=O)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001183358207 801564733 /nfs/dbraw/zinc/56/47/33/801564733.db2.gz JKTCZECXNZRIDM-UHFFFAOYSA-N -1 1 337.335 2.408 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001183562646 801645925 /nfs/dbraw/zinc/64/59/25/801645925.db2.gz MCBGUCFOEFCYEP-UHFFFAOYSA-N -1 1 339.142 2.255 20 0 EEADMM Nc1ccc(CCC(=O)Nc2nc(Br)ccc2[O-])cn1 ZINC001183929266 801812168 /nfs/dbraw/zinc/81/21/68/801812168.db2.gz MVGQMXVEFWBKSR-UHFFFAOYSA-N -1 1 337.177 2.098 20 0 EEADMM CC(=O)N1CCCC[C@@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001184128926 801883139 /nfs/dbraw/zinc/88/31/39/801883139.db2.gz HZGIFZZWAVMZFV-MRXNPFEDSA-N -1 1 342.399 2.308 20 0 EEADMM Cn1[nH]cnc1=NC([O-])=C(c1c[nH]c2cccc(F)c12)C(F)(F)F ZINC001184524909 802054399 /nfs/dbraw/zinc/05/43/99/802054399.db2.gz BTSUPYQMPHIINE-LLVKDONJSA-N -1 1 341.268 2.142 20 0 EEADMM COc1cccc2c1OC[C@H]2[N-]S(=O)(=O)c1cccnc1Cl ZINC001184909493 802256224 /nfs/dbraw/zinc/25/62/24/802256224.db2.gz NEFIWRHGSIAAPY-SNVBAGLBSA-N -1 1 340.788 2.156 20 0 EEADMM COc1ccc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)nc1OC ZINC001185086058 802324077 /nfs/dbraw/zinc/32/40/77/802324077.db2.gz VJWOZMXRKOZQDG-UHFFFAOYSA-N -1 1 344.339 2.319 20 0 EEADMM O=C(NC1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1)c1ncccc1[O-] ZINC000946713004 802870227 /nfs/dbraw/zinc/87/02/27/802870227.db2.gz ZQEBZOBHAJUAAA-CHWSQXEVSA-N -1 1 349.406 2.036 20 0 EEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)nc1F ZINC000867008992 804047998 /nfs/dbraw/zinc/04/79/98/804047998.db2.gz NHPQUEPSGDDGFD-GGZOMVNGSA-N -1 1 346.811 2.110 20 0 EEADMM C[C@@H](O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000787578831 807158782 /nfs/dbraw/zinc/15/87/82/807158782.db2.gz MHJDKSUYUYOJRX-GFCCVEGCSA-N -1 1 335.381 2.025 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)c(Cl)c2)co1 ZINC000787758766 807208330 /nfs/dbraw/zinc/20/83/30/807208330.db2.gz JDBRRPWKSASDIN-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM COc1nc(Br)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000788759580 807667334 /nfs/dbraw/zinc/66/73/34/807667334.db2.gz DKIKCGZKSPXSCF-UHFFFAOYSA-N -1 1 335.223 2.395 20 0 EEADMM Cn1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1Br ZINC000790057471 808383346 /nfs/dbraw/zinc/38/33/46/808383346.db2.gz XQNSRSYWVMCXNY-UHFFFAOYSA-N -1 1 331.557 2.189 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](C)Nc1ncccn1 ZINC001113269815 808585588 /nfs/dbraw/zinc/58/55/88/808585588.db2.gz WTOCROZYMXIQBT-QWRGUYRKSA-N -1 1 344.419 2.023 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791086924 809048272 /nfs/dbraw/zinc/04/82/72/809048272.db2.gz AWUMLGJKXATCEC-UHFFFAOYSA-N -1 1 327.363 2.154 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCc4cc(F)ccc43)ccnc1-2 ZINC000791091742 809067549 /nfs/dbraw/zinc/06/75/49/809067549.db2.gz WZCQRZIBYJUFDU-CQSZACIVSA-N -1 1 325.347 2.290 20 0 EEADMM CC1N=NC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)=C1[O-] ZINC000791097336 809070009 /nfs/dbraw/zinc/07/00/09/809070009.db2.gz FYKMWHMGYXJJRH-PHIMTYICSA-N -1 1 330.388 2.290 20 0 EEADMM Cc1ccc(-c2ccc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)nn2)s1 ZINC001170218344 809820896 /nfs/dbraw/zinc/82/08/96/809820896.db2.gz WEIQTHRHAFENLO-UHFFFAOYSA-N -1 1 341.356 2.286 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)cc(-c3ccccn3)n2)[n-]1 ZINC001170227413 809845813 /nfs/dbraw/zinc/84/58/13/809845813.db2.gz LRRXHQOMBZUILD-UHFFFAOYSA-N -1 1 340.734 2.308 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])Nc1cnc(F)cn1 ZINC001114089431 810321906 /nfs/dbraw/zinc/32/19/06/810321906.db2.gz IVJZHKWUQKAGRS-GFCCVEGCSA-N -1 1 347.394 2.315 20 0 EEADMM O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cn[n-]n1 ZINC000805604630 811371831 /nfs/dbraw/zinc/37/18/31/811371831.db2.gz MORJIHWXWUGBFR-OAHLLOKOSA-N -1 1 340.314 2.481 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@]4(C3)OCc3ccccc34)ccnc1-2 ZINC000806493002 811882856 /nfs/dbraw/zinc/88/28/56/811882856.db2.gz MIOSYRXCBQRKID-LJQANCHMSA-N -1 1 349.394 2.005 20 0 EEADMM Cc1ccc(F)c(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806481300 811891475 /nfs/dbraw/zinc/89/14/75/811891475.db2.gz BRMXUSXKNPIIPG-UHFFFAOYSA-N -1 1 327.363 2.453 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3COc4c3cccc4Cl)ccnc1-2 ZINC000806484402 811893789 /nfs/dbraw/zinc/89/37/89/811893789.db2.gz JVZSBSSROTWHCK-CYBMUJFWSA-N -1 1 343.774 2.250 20 0 EEADMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3c1COC3=O)OCO2 ZINC000808127028 812447236 /nfs/dbraw/zinc/44/72/36/812447236.db2.gz LCDUEKXBQRHCMN-UHFFFAOYSA-N -1 1 347.348 2.195 20 0 EEADMM Cc1cncc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000323106304 970967773 /nfs/dbraw/zinc/96/77/73/970967773.db2.gz NWHHAKTZGBDQJN-UHFFFAOYSA-N -1 1 332.381 2.307 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC001601868970 971086141 /nfs/dbraw/zinc/08/61/41/971086141.db2.gz GCEWJOCPIWQOFG-QGZVFWFLSA-N -1 1 348.358 2.352 20 0 EEADMM Brc1cccc2c1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573279768 946648611 /nfs/dbraw/zinc/64/86/11/946648611.db2.gz MWWAEDNPEAUARD-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1cccc2c1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573279768 946648620 /nfs/dbraw/zinc/64/86/20/946648620.db2.gz MWWAEDNPEAUARD-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM CC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001573555876 946916845 /nfs/dbraw/zinc/91/68/45/946916845.db2.gz SOWGDGCJKRUKMJ-UHFFFAOYSA-N -1 1 349.354 2.012 20 0 EEADMM CC(=O)c1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001573555876 946916848 /nfs/dbraw/zinc/91/68/48/946916848.db2.gz SOWGDGCJKRUKMJ-UHFFFAOYSA-N -1 1 349.354 2.012 20 0 EEADMM CC(=O)c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001573556096 946922636 /nfs/dbraw/zinc/92/26/36/946922636.db2.gz VXGIFYAUAYQXGV-UHFFFAOYSA-N -1 1 327.369 2.061 20 0 EEADMM CCOC(=O)c1cnn(Cc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000825570967 947234046 /nfs/dbraw/zinc/23/40/46/947234046.db2.gz PPPFJSAKVWCWRZ-UHFFFAOYSA-N -1 1 340.387 2.213 20 0 EEADMM CC(=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC001573363956 947716515 /nfs/dbraw/zinc/71/65/15/947716515.db2.gz OMFVAPHESCIQRI-YFHOEESVSA-N -1 1 326.385 2.043 20 0 EEADMM CC(=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC001573363956 947716520 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CC[C@H](C(=O)[O-])N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000191413315 529623742 /nfs/dbraw/zinc/62/37/42/529623742.db2.gz RNLXNXZUHAWSLN-GFCCVEGCSA-N -1 1 328.771 2.100 20 0 EEADMM COc1cc(CNC(=O)c2ccc(Br)cc2[O-])ccn1 ZINC000049447222 214008336 /nfs/dbraw/zinc/00/83/36/214008336.db2.gz UYMUTQTVQQWNNN-UHFFFAOYSA-N -1 1 337.173 2.488 20 0 EEADMM Cc1noc(C)c1[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081746565 539355937 /nfs/dbraw/zinc/35/59/37/539355937.db2.gz CNZGWITZVAMHPV-QMMMGPOBSA-N -1 1 332.404 2.472 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)co1 ZINC000154758924 530025917 /nfs/dbraw/zinc/02/59/17/530025917.db2.gz PECFUYNTPLZSNY-NWDGAFQWSA-N -1 1 336.413 2.110 20 0 EEADMM CCC[C@@H](NC(=O)c1cc(-c2ccccc2F)on1)c1nn[n-]n1 ZINC000136699475 539441770 /nfs/dbraw/zinc/44/17/70/539441770.db2.gz KTRYUJKKUOKNKZ-LLVKDONJSA-N -1 1 330.323 2.265 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]2(O)CCSC2)c1 ZINC000182907454 539592005 /nfs/dbraw/zinc/59/20/05/539592005.db2.gz 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244084768 /nfs/dbraw/zinc/08/47/68/244084768.db2.gz SFHRJNKFQZEFIG-LLVKDONJSA-N -1 1 331.372 2.411 20 0 EEADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CC(N)=O)cc1 ZINC000049510086 214014628 /nfs/dbraw/zinc/01/46/28/214014628.db2.gz GVEFLWRDWMQPQS-UHFFFAOYSA-N -1 1 338.816 2.477 20 0 EEADMM Cc1nc(C)c(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000080647628 217322660 /nfs/dbraw/zinc/32/26/60/217322660.db2.gz VRUSQAPKXNJNSY-UHFFFAOYSA-N -1 1 348.472 2.422 20 0 EEADMM CSc1nnc(CCCNC(=O)c2cncc([O-])c2)n1CC(C)C ZINC000111556707 220165501 /nfs/dbraw/zinc/16/55/01/220165501.db2.gz WVIHJAYGNLWXMI-UHFFFAOYSA-N -1 1 349.460 2.119 20 0 EEADMM CCC[C@](C)([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)OC ZINC000264317191 246342946 /nfs/dbraw/zinc/34/29/46/246342946.db2.gz DJJAIARMXLRIAV-ZDUSSCGKSA-N -1 1 339.335 2.114 20 0 EEADMM CO[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000266036695 248052321 /nfs/dbraw/zinc/05/23/21/248052321.db2.gz DMBIZEPZGXRDRF-OLZOCXBDSA-N -1 1 339.461 2.219 20 0 EEADMM 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/nfs/dbraw/zinc/56/34/22/577563422.db2.gz YZADWLVBKQGVMQ-IINYFYTJSA-N -1 1 336.388 2.192 20 0 EEADMM O=C(C1CCOCC1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000769457683 577578268 /nfs/dbraw/zinc/57/82/68/577578268.db2.gz OOVUQMCUVCGJTB-UHFFFAOYSA-N -1 1 338.835 2.116 20 0 EEADMM CCN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000769852753 577585877 /nfs/dbraw/zinc/58/58/77/577585877.db2.gz VSVUCJWBIADOOD-JTQLQIEISA-N -1 1 333.837 2.331 20 0 EEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCC3CCC3)CC2)n1 ZINC000770733371 577602702 /nfs/dbraw/zinc/60/27/02/577602702.db2.gz VKIQNOTTXGLLJR-UHFFFAOYSA-N -1 1 349.435 2.061 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCC(=O)OC(C)(C)C ZINC000758844741 577632169 /nfs/dbraw/zinc/63/21/69/577632169.db2.gz IJINDXNFJACWMW-UHFFFAOYSA-N -1 1 337.420 2.418 20 0 EEADMM Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000759700477 577648033 /nfs/dbraw/zinc/64/80/33/577648033.db2.gz CEAQSTRIMQRNQW-OQLLNIDSSA-N -1 1 339.330 2.463 20 0 EEADMM CCOc1cc(C(=O)NC[C@H]2COC(C)(C)O2)cc(Cl)c1[O-] ZINC000762621762 577704676 /nfs/dbraw/zinc/70/46/76/577704676.db2.gz LSMHHLWUNDJKFO-JTQLQIEISA-N -1 1 329.780 2.326 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000750825016 577743237 /nfs/dbraw/zinc/74/32/37/577743237.db2.gz HCDDVULCDHTFLE-LLVKDONJSA-N -1 1 342.189 2.226 20 0 EEADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NC[C@H]1CCCO1 ZINC000751732684 577758561 /nfs/dbraw/zinc/75/85/61/577758561.db2.gz SYKSHQQUIIQNAR-PSASIEDQSA-N -1 1 345.754 2.025 20 0 EEADMM COc1cccc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000754038805 577799047 /nfs/dbraw/zinc/79/90/47/577799047.db2.gz YCXBCZPHXXIXJR-UHFFFAOYSA-N -1 1 332.381 2.357 20 0 EEADMM O=C(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)NC1CCCC1 ZINC000756953246 577853777 /nfs/dbraw/zinc/85/37/77/577853777.db2.gz KHAOTOKMGTXHHV-UHFFFAOYSA-N -1 1 332.297 2.232 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000745018011 577906836 /nfs/dbraw/zinc/90/68/36/577906836.db2.gz 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578202108 /nfs/dbraw/zinc/20/21/08/578202108.db2.gz PATJHLSGLDQZTQ-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736416919 578202109 /nfs/dbraw/zinc/20/21/09/578202109.db2.gz PATJHLSGLDQZTQ-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000736417541 578202228 /nfs/dbraw/zinc/20/22/28/578202228.db2.gz VTBCOVJUUIFUOO-MRXNPFEDSA-N -1 1 348.447 2.059 20 0 EEADMM CCCOc1ccccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736492343 578207429 /nfs/dbraw/zinc/20/74/29/578207429.db2.gz KEGVZGXFOAOQLP-UHFFFAOYSA-N -1 1 330.392 2.400 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736608245 578214647 /nfs/dbraw/zinc/21/46/47/578214647.db2.gz BQZFXRYOPIKIDN-ZIAGYGMSSA-N -1 1 343.387 2.156 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736608245 578214648 /nfs/dbraw/zinc/21/46/48/578214648.db2.gz BQZFXRYOPIKIDN-ZIAGYGMSSA-N -1 1 343.387 2.156 20 0 EEADMM CN(Cc1ccccc1C(F)(F)F)c1nccnc1-c1nnn[n-]1 ZINC000736827822 578225947 /nfs/dbraw/zinc/22/59/47/578225947.db2.gz HZDPQSUGBBTHOH-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1ccccc1C(F)(F)F)c1nccnc1-c1nn[n-]n1 ZINC000736827822 578225948 /nfs/dbraw/zinc/22/59/48/578225948.db2.gz HZDPQSUGBBTHOH-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2ccccc2C)C1)C(=O)[O-] ZINC000736874818 578227736 /nfs/dbraw/zinc/22/77/36/578227736.db2.gz DRHFGPWZTADSHN-YEWWUXTCSA-N -1 1 332.444 2.400 20 0 EEADMM CCCc1nnc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000737050383 578235248 /nfs/dbraw/zinc/23/52/48/578235248.db2.gz ITCMZVTUKIHGPK-AWEZNQCLSA-N -1 1 330.388 2.029 20 0 EEADMM CCCc1n[nH]c([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)n1 ZINC000737050383 578235249 /nfs/dbraw/zinc/23/52/49/578235249.db2.gz ITCMZVTUKIHGPK-AWEZNQCLSA-N -1 1 330.388 2.029 20 0 EEADMM CCCc1nnc([C@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000737050994 578235285 /nfs/dbraw/zinc/23/52/85/578235285.db2.gz 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ZINC000737358439 578252508 /nfs/dbraw/zinc/25/25/08/578252508.db2.gz MJQDZQCDVWXBJL-WXRRBKDZSA-N -1 1 339.461 2.293 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737418987 578256283 /nfs/dbraw/zinc/25/62/83/578256283.db2.gz ALOKLGBADDKROL-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737418987 578256284 /nfs/dbraw/zinc/25/62/84/578256284.db2.gz ALOKLGBADDKROL-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM CN(Cc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1)C(=O)[O-] ZINC000737481321 578260129 /nfs/dbraw/zinc/26/01/29/578260129.db2.gz DWKQXAVXDQNIPD-INIZCTEOSA-N -1 1 346.431 2.498 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821449386 599212332 /nfs/dbraw/zinc/21/23/32/599212332.db2.gz SSQABXDCAVFZCK-NEPJUHHUSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821449386 599212334 /nfs/dbraw/zinc/21/23/34/599212334.db2.gz SSQABXDCAVFZCK-NEPJUHHUSA-N -1 1 332.433 2.008 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000819380175 597048612 /nfs/dbraw/zinc/04/86/12/597048612.db2.gz JHHUABQWMPTBDV-ZFWWWQNUSA-N -1 1 334.391 2.286 20 0 EEADMM O=C1CCc2cc(NCc3ccc(-c4nn[n-]n4)s3)ccc2N1 ZINC000823536036 607309415 /nfs/dbraw/zinc/30/94/15/607309415.db2.gz PQMIYWCWHIOXLO-UHFFFAOYSA-N -1 1 326.385 2.425 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C(=O)NC(C)(C)C ZINC000820449940 599497337 /nfs/dbraw/zinc/49/73/37/599497337.db2.gz DTGCCCBOOXLAHM-SNVBAGLBSA-N -1 1 339.403 2.130 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C(=O)NC(C)(C)C ZINC000820449940 599497340 /nfs/dbraw/zinc/49/73/40/599497340.db2.gz DTGCCCBOOXLAHM-SNVBAGLBSA-N -1 1 339.403 2.130 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820233830 607382139 /nfs/dbraw/zinc/38/21/39/607382139.db2.gz LHPZSKWBZOHKBX-IINYFYTJSA-N -1 1 328.351 2.325 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820233830 607382141 /nfs/dbraw/zinc/38/21/41/607382141.db2.gz LHPZSKWBZOHKBX-IINYFYTJSA-N -1 1 328.351 2.325 20 0 EEADMM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000831774128 600739387 /nfs/dbraw/zinc/73/93/87/600739387.db2.gz QITHBKMYSJINLV-INIZCTEOSA-N -1 1 334.347 2.161 20 0 EEADMM Cc1ccc([C@@H](NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832923911 601034229 /nfs/dbraw/zinc/03/42/29/601034229.db2.gz SOVQHKIKMNQBID-IEBWSBKVSA-N -1 1 330.428 2.405 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000827375096 601092175 /nfs/dbraw/zinc/09/21/75/601092175.db2.gz PQXPVTFQGBKPHK-NSHDSACASA-N -1 1 349.818 2.442 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC000827354280 601105093 /nfs/dbraw/zinc/10/50/93/601105093.db2.gz CXQKAGTVIIOWOU-QRWLVFNGSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccccc2)CO1 ZINC000824992709 607507967 /nfs/dbraw/zinc/50/79/67/607507967.db2.gz NQMLLIDMZALJCY-DYVFJYSZSA-N -1 1 336.399 2.224 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccccc2s1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828420277 601529230 /nfs/dbraw/zinc/52/92/30/601529230.db2.gz BZIKTPIVNGEYCQ-VWYCJHECSA-N -1 1 333.413 2.276 20 0 EEADMM COCCn1c(C)cc(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1C ZINC000831800665 601595090 /nfs/dbraw/zinc/59/50/90/601595090.db2.gz QOQTXUUSSHJHHQ-INIZCTEOSA-N -1 1 348.443 2.121 20 0 EEADMM CCOC(=O)N1CCCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000829861769 601625587 /nfs/dbraw/zinc/62/55/87/601625587.db2.gz UGBLQNJTAGTISI-UHFFFAOYSA-N -1 1 326.418 2.419 20 0 EEADMM C[C@@](NCC(=O)Nc1nc(-c2ccco2)cs1)(C(=O)[O-])C1CC1 ZINC000827728532 601642687 /nfs/dbraw/zinc/64/26/87/601642687.db2.gz SDVCKMKZQLWWEI-HNNXBMFYSA-N -1 1 335.385 2.185 20 0 EEADMM C[C@@H]1CN(C)c2ccccc2N(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000824976931 607520738 /nfs/dbraw/zinc/52/07/38/607520738.db2.gz PLLRGDBXSHZGDR-CYBMUJFWSA-N -1 1 335.415 2.354 20 0 EEADMM C[C@@H]1CN(C)c2ccccc2N(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000824976931 607520739 /nfs/dbraw/zinc/52/07/39/607520739.db2.gz PLLRGDBXSHZGDR-CYBMUJFWSA-N -1 1 335.415 2.354 20 0 EEADMM O=C([O-])CCC1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000833224061 601816819 /nfs/dbraw/zinc/81/68/19/601816819.db2.gz DGPPJPCTEPLSLE-UHFFFAOYSA-N -1 1 347.487 2.022 20 0 EEADMM CCCCCC[C@@]1(C)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829357944 601889564 /nfs/dbraw/zinc/88/95/64/601889564.db2.gz WFMLSSUUHAVPMI-DLBZAZTESA-N -1 1 339.436 2.021 20 0 EEADMM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)c2ccccc21 ZINC000833215400 602019792 /nfs/dbraw/zinc/01/97/92/602019792.db2.gz ISVGKCYKJBXMHV-AAEUAGOBSA-N -1 1 325.368 2.435 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H](C)CC(=O)[O-])N1CCCC1 ZINC000832593984 602073333 /nfs/dbraw/zinc/07/33/33/602073333.db2.gz AJNTVDBZSKKTOH-DZGCQCFKSA-N -1 1 334.416 2.059 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccsc1 ZINC000830581580 602354849 /nfs/dbraw/zinc/35/48/49/602354849.db2.gz PDUTVRAQPPCDEO-CYBMUJFWSA-N -1 1 336.417 2.209 20 0 EEADMM Cn1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C(=O)[O-] ZINC000833049646 602355353 /nfs/dbraw/zinc/35/53/53/602355353.db2.gz FPEGNEAIFYLBSB-CQSZACIVSA-N -1 1 346.387 2.275 20 0 EEADMM CCCc1ccc(N)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825348642 607600298 /nfs/dbraw/zinc/60/02/98/607600298.db2.gz ULZWZAOWJGZEQO-UHFFFAOYSA-N -1 1 338.371 2.153 20 0 EEADMM CCCc1ccc(N)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825348642 607600300 /nfs/dbraw/zinc/60/03/00/607600300.db2.gz ULZWZAOWJGZEQO-UHFFFAOYSA-N -1 1 338.371 2.153 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(F)c1 ZINC000830580572 604672926 /nfs/dbraw/zinc/67/29/26/604672926.db2.gz HZTWDEAZXNPEJO-GJZGRUSLSA-N -1 1 337.395 2.077 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H]1C(=O)[O-] ZINC000828464894 604675031 /nfs/dbraw/zinc/67/50/31/604675031.db2.gz VZNKGLLLSHSFPR-VXNVDRBHSA-N -1 1 341.289 2.306 20 0 EEADMM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(Br)c1O ZINC000833497268 604711764 /nfs/dbraw/zinc/71/17/64/604711764.db2.gz ZDZRSJWQZXQTCB-UHFFFAOYSA-N -1 1 330.178 2.480 20 0 EEADMM C[C@H](CN(CC(=O)Nc1nc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000827450091 604742908 /nfs/dbraw/zinc/74/29/08/604742908.db2.gz RMPBISIAHWCOMC-SNVBAGLBSA-N -1 1 333.413 2.420 20 0 EEADMM C[C@H](CN(CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1)C(=O)[O-] ZINC000827449680 604743041 /nfs/dbraw/zinc/74/30/41/604743041.db2.gz NRBFGXOTKQLOEH-SNVBAGLBSA-N -1 1 342.342 2.412 20 0 EEADMM CCCOc1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)ccc1OC ZINC000833651815 604761492 /nfs/dbraw/zinc/76/14/92/604761492.db2.gz BWUSRCHPDWUEQA-QGZVFWFLSA-N -1 1 337.416 2.142 20 0 EEADMM CC(C)CCC[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833481324 605043512 /nfs/dbraw/zinc/04/35/12/605043512.db2.gz RWLYPYJEBVFRBG-LSDHHAIUSA-N -1 1 327.469 2.392 20 0 EEADMM CCOc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833664702 605257637 /nfs/dbraw/zinc/25/76/37/605257637.db2.gz XGPWTQBOGFQOAP-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM Cc1csc(N2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)C[C@H]2C)n1 ZINC000833580769 605333473 /nfs/dbraw/zinc/33/34/73/605333473.db2.gz SGWNWMPLDQPCJD-YPMHNXCESA-N -1 1 337.445 2.110 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C3CC3)C2)c1 ZINC000833752617 605348185 /nfs/dbraw/zinc/34/81/85/605348185.db2.gz ONXMQUWZFVIPCA-GDBMZVCRSA-N -1 1 330.428 2.454 20 0 EEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820643544 606104144 /nfs/dbraw/zinc/10/41/44/606104144.db2.gz XAKKIANJURBKDS-HIFRSBDPSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820643544 606104145 /nfs/dbraw/zinc/10/41/45/606104145.db2.gz XAKKIANJURBKDS-HIFRSBDPSA-N -1 1 348.410 2.355 20 0 EEADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043373 606170004 /nfs/dbraw/zinc/17/00/04/606170004.db2.gz OIHOYGLQEZBHSN-PWSUYJOCSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043373 606170005 /nfs/dbraw/zinc/17/00/05/606170005.db2.gz OIHOYGLQEZBHSN-PWSUYJOCSA-N -1 1 332.412 2.081 20 0 EEADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820697784 606195561 /nfs/dbraw/zinc/19/55/61/606195561.db2.gz MDOAFKZRDGVECM-PWSUYJOCSA-N -1 1 331.376 2.106 20 0 EEADMM CCNC(=O)c1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821294009 606462142 /nfs/dbraw/zinc/46/21/42/606462142.db2.gz PIAKOMSBLNFZJC-UHFFFAOYSA-N -1 1 344.762 2.457 20 0 EEADMM CCNC(=O)c1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821294009 606462144 /nfs/dbraw/zinc/46/21/44/606462144.db2.gz PIAKOMSBLNFZJC-UHFFFAOYSA-N -1 1 344.762 2.457 20 0 EEADMM COCCN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821690703 606498297 /nfs/dbraw/zinc/49/82/97/606498297.db2.gz WJJDKJLMLJLNSQ-UHFFFAOYSA-N -1 1 349.441 2.279 20 0 EEADMM COCCN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821690703 606498299 /nfs/dbraw/zinc/49/82/99/606498299.db2.gz WJJDKJLMLJLNSQ-UHFFFAOYSA-N -1 1 349.441 2.279 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cc(F)c(F)cc21 ZINC000823487374 606512867 /nfs/dbraw/zinc/51/28/67/606512867.db2.gz BOKMAIFGZXITCG-UHFFFAOYSA-N -1 1 333.323 2.409 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cc(F)c(F)cc21 ZINC000823487374 606512868 /nfs/dbraw/zinc/51/28/68/606512868.db2.gz BOKMAIFGZXITCG-UHFFFAOYSA-N -1 1 333.323 2.409 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000822198856 606523247 /nfs/dbraw/zinc/52/32/47/606523247.db2.gz MGPDFIKYLFIASH-JTQLQIEISA-N -1 1 330.373 2.202 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822198856 606523248 /nfs/dbraw/zinc/52/32/48/606523248.db2.gz MGPDFIKYLFIASH-JTQLQIEISA-N -1 1 330.373 2.202 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823482907 606551540 /nfs/dbraw/zinc/55/15/40/606551540.db2.gz BVXRXVOXQBKYTM-NXEZZACHSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000823482907 606551541 /nfs/dbraw/zinc/55/15/41/606551541.db2.gz BVXRXVOXQBKYTM-NXEZZACHSA-N -1 1 335.458 2.428 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820908868 606609317 /nfs/dbraw/zinc/60/93/17/606609317.db2.gz QMGASKGRLZNCGF-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820908868 606609319 /nfs/dbraw/zinc/60/93/19/606609319.db2.gz QMGASKGRLZNCGF-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM Cc1cc2ccccc2nc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822212785 606626041 /nfs/dbraw/zinc/62/60/41/606626041.db2.gz HNJCPLUQFOHFPR-UHFFFAOYSA-N -1 1 349.402 2.073 20 0 EEADMM CC(C)(C)c1nnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000819972059 606956245 /nfs/dbraw/zinc/95/62/45/606956245.db2.gz ZHWQDZBXJYXNIT-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM CC(C)(C)c1nnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000819972059 606956247 /nfs/dbraw/zinc/95/62/47/606956247.db2.gz ZHWQDZBXJYXNIT-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM COCCN(Cc1ccc(C)o1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821690374 607136784 /nfs/dbraw/zinc/13/67/84/607136784.db2.gz IWTNNGPUYLDYLH-UHFFFAOYSA-N -1 1 347.400 2.118 20 0 EEADMM COCCN(Cc1ccc(C)o1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821690374 607136786 /nfs/dbraw/zinc/13/67/86/607136786.db2.gz IWTNNGPUYLDYLH-UHFFFAOYSA-N -1 1 347.400 2.118 20 0 EEADMM Brc1cnc2[nH]c(-c3ccc(-c4nnn[n-]4)o3)nc2c1 ZINC000823832710 607973817 /nfs/dbraw/zinc/97/38/17/607973817.db2.gz UBXVZFNNYNHASK-UHFFFAOYSA-N -1 1 332.121 2.161 20 0 EEADMM Brc1cnc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc2c1 ZINC000823832710 607973818 /nfs/dbraw/zinc/97/38/18/607973818.db2.gz UBXVZFNNYNHASK-UHFFFAOYSA-N -1 1 332.121 2.161 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825879699 607990552 /nfs/dbraw/zinc/99/05/52/607990552.db2.gz OTYGNGDHDIECFO-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825879699 607990553 /nfs/dbraw/zinc/99/05/53/607990553.db2.gz OTYGNGDHDIECFO-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(Cl)ccc1Cl ZINC000826424753 608013096 /nfs/dbraw/zinc/01/30/96/608013096.db2.gz BBBPKFBQGTXWQM-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(Cl)ccc1Cl ZINC000826424753 608013097 /nfs/dbraw/zinc/01/30/97/608013097.db2.gz BBBPKFBQGTXWQM-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901473 608393184 /nfs/dbraw/zinc/39/31/84/608393184.db2.gz GQJFDDQNAWSYAH-UHFFFAOYSA-N -1 1 325.420 2.309 20 0 EEADMM CN(CC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901473 608393186 /nfs/dbraw/zinc/39/31/86/608393186.db2.gz GQJFDDQNAWSYAH-UHFFFAOYSA-N -1 1 325.420 2.309 20 0 EEADMM FC(F)(F)c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000826369249 608394310 /nfs/dbraw/zinc/39/43/10/608394310.db2.gz UBNNWHHGFLSUBX-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM FC(F)(F)c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000826369249 608394312 /nfs/dbraw/zinc/39/43/12/608394312.db2.gz UBNNWHHGFLSUBX-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826376965 608400955 /nfs/dbraw/zinc/40/09/55/608400955.db2.gz ZERBDRDNOZUGDG-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826376965 608400956 /nfs/dbraw/zinc/40/09/56/608400956.db2.gz ZERBDRDNOZUGDG-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1cccc(F)c1 ZINC000824962537 608427470 /nfs/dbraw/zinc/42/74/70/608427470.db2.gz VHVWVZZIUVKAQH-BONVTDFDSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1cccc(F)c1 ZINC000824962537 608427472 /nfs/dbraw/zinc/42/74/72/608427472.db2.gz VHVWVZZIUVKAQH-BONVTDFDSA-N -1 1 325.351 2.383 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523825 608429692 /nfs/dbraw/zinc/42/96/92/608429692.db2.gz ZADIDLJSACAPAZ-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523825 608429693 /nfs/dbraw/zinc/42/96/93/608429693.db2.gz ZADIDLJSACAPAZ-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000826280897 608542669 /nfs/dbraw/zinc/54/26/69/608542669.db2.gz VAMFJLBIYYQKEF-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000826280897 608542671 /nfs/dbraw/zinc/54/26/71/608542671.db2.gz VAMFJLBIYYQKEF-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000826519483 608602096 /nfs/dbraw/zinc/60/20/96/608602096.db2.gz AFGZZKJKILOMOD-UHFFFAOYSA-N -1 1 347.382 2.204 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC000826519483 608602098 /nfs/dbraw/zinc/60/20/98/608602098.db2.gz AFGZZKJKILOMOD-UHFFFAOYSA-N -1 1 347.382 2.204 20 0 EEADMM Fc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826378151 608676107 /nfs/dbraw/zinc/67/61/07/608676107.db2.gz XWEOXRSCXOHHOV-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccccc1[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000826378151 608676108 /nfs/dbraw/zinc/67/61/08/608676108.db2.gz XWEOXRSCXOHHOV-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](c2ccccc2)CO1 ZINC000824984865 608727563 /nfs/dbraw/zinc/72/75/63/608727563.db2.gz OQAISNIUIXEOED-SWLSCSKDSA-N -1 1 325.372 2.422 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H](c2ccccc2)CO1 ZINC000824984865 608727567 /nfs/dbraw/zinc/72/75/67/608727567.db2.gz OQAISNIUIXEOED-SWLSCSKDSA-N -1 1 325.372 2.422 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](C(F)(F)F)O1 ZINC000824985844 608728006 /nfs/dbraw/zinc/72/80/06/608728006.db2.gz ZCKUNNMZKHMWJY-XCBNKYQSSA-N -1 1 333.339 2.080 20 0 EEADMM O=C(COC(=O)c1c(O)cccc1Cl)[N-]C(=O)c1ccccc1 ZINC000145939823 675932686 /nfs/dbraw/zinc/93/26/86/675932686.db2.gz KIYBQDVIGBBGPN-UHFFFAOYSA-N -1 1 333.727 2.159 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020729654 675456833 /nfs/dbraw/zinc/45/68/33/675456833.db2.gz BDFOJPXGJOBMGU-CHWSQXEVSA-N -1 1 349.406 2.265 20 0 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CC(C)c1cccc(-n2cc([O-])c(C(=O)OCC(=O)NC3CC3)n2)c1 ZINC000801411821 1235539782 /nfs/dbraw/zinc/53/97/82/1235539782.db2.gz QESOAEQUJXBSMC-UHFFFAOYSA-N -1 1 343.383 2.137 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC[C@H]2CCOC2=O)n1 ZINC000801427400 1235562533 /nfs/dbraw/zinc/56/25/33/1235562533.db2.gz PYOAQTFGWIBLFZ-LLVKDONJSA-N -1 1 348.330 2.135 20 0 EEADMM COc1ccc([C@H](NC(=O)c2cnc(SC)[n-]c2=O)C2CC2)cn1 ZINC001413374470 1235945414 /nfs/dbraw/zinc/94/54/14/1235945414.db2.gz MYQGWEBAPGDUDM-CYBMUJFWSA-N -1 1 346.412 2.189 20 0 EEADMM CCOC(=O)C[C@H](O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620159 1236058551 /nfs/dbraw/zinc/05/85/51/1236058551.db2.gz ZFBFZNQPYGGCKF-LBPRGKRZSA-N -1 1 334.397 2.255 20 0 EEADMM Cc1cc(Br)cc([N-]S(=O)(=O)N=S(C)(C)=O)c1 ZINC000901662499 1236123603 /nfs/dbraw/zinc/12/36/03/1236123603.db2.gz MTSJOKRMCADXLY-UHFFFAOYSA-N -1 1 341.252 2.142 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@]1(c2ccccc2)CC1(C)C ZINC001413396936 1236314237 /nfs/dbraw/zinc/31/42/37/1236314237.db2.gz AKZNGXKRAPBIMX-MRXNPFEDSA-N -1 1 335.429 2.211 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1OC ZINC000901908400 1236606080 /nfs/dbraw/zinc/60/60/80/1236606080.db2.gz DHNRAPOTJQVWHV-UHFFFAOYSA-N -1 1 347.343 2.474 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC000902098891 1237045230 /nfs/dbraw/zinc/04/52/30/1237045230.db2.gz MPQSMJNFCWOUPE-XQAQDONZSA-N -1 1 339.395 2.286 20 0 EEADMM Cc1cc(CNCc2ccc(CS(C)(=O)=O)cc2)oc1C(=O)[O-] ZINC000902142199 1237118446 /nfs/dbraw/zinc/11/84/46/1237118446.db2.gz GCIBLNHLRKRDCM-UHFFFAOYSA-N -1 1 337.397 2.121 20 0 EEADMM Cc1ccc(NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])nn1 ZINC001048126920 1237140177 /nfs/dbraw/zinc/14/01/77/1237140177.db2.gz DTCPACZONQVNRJ-OCCSQVGLSA-N -1 1 341.415 2.238 20 0 EEADMM C[C@@H](Oc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC000902200396 1237203863 /nfs/dbraw/zinc/20/38/63/1237203863.db2.gz AEGKRKSMJZBPJB-SOUVJXGZSA-N -1 1 348.443 2.418 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN[C@H]3CC(=O)N(C4CC4)C3)o2)cc1 ZINC000902268722 1237317637 /nfs/dbraw/zinc/31/76/37/1237317637.db2.gz HLQHNKGMIIQZQL-AWEZNQCLSA-N -1 1 340.379 2.498 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056222496 1238997165 /nfs/dbraw/zinc/99/71/65/1238997165.db2.gz OVKWHZFIZTUVDO-LSDHHAIUSA-N -1 1 345.443 2.429 20 0 EEADMM CC/C(C)=C/C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056387509 1239296839 /nfs/dbraw/zinc/29/68/39/1239296839.db2.gz SUTSZKSAIRWTGK-MSIAHBHRSA-N -1 1 343.427 2.349 20 0 EEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)c1Cl ZINC000903167108 1239916356 /nfs/dbraw/zinc/91/63/56/1239916356.db2.gz ZASNSHYAXLIHKK-UHFFFAOYSA-N -1 1 339.804 2.312 20 0 EEADMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1sccc1C)C(F)(F)F ZINC000903232293 1240057102 /nfs/dbraw/zinc/05/71/02/1240057102.db2.gz VNVKPMFWPWLGEK-SNVBAGLBSA-N -1 1 345.364 2.219 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Nc3ccc4oc(CO)cc4c3)ccnc1-2 ZINC001413559670 1242223925 /nfs/dbraw/zinc/22/39/25/1242223925.db2.gz CNJBLVGVJPNLPK-UHFFFAOYSA-N -1 1 337.339 2.224 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCC1(C)CC1 ZINC001052419994 1247240801 /nfs/dbraw/zinc/24/08/01/1247240801.db2.gz AJZUQOSKRHKUBH-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CCC1(C(=O)NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)CCC1 ZINC001052422774 1247246290 /nfs/dbraw/zinc/24/62/90/1247246290.db2.gz SXOLXHQMTBDQOT-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)c1cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)ncn1 ZINC001068823675 1251744938 /nfs/dbraw/zinc/74/49/38/1251744938.db2.gz YWVRFTBLBSVDEX-QWHCGFSZSA-N -1 1 341.415 2.416 20 0 EEADMM CCC1(NC(=O)C[C@@H]2C[C@@H]2C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322913 1252744777 /nfs/dbraw/zinc/74/47/77/1252744777.db2.gz VZTSWTYRACPNMF-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1Cc1ccc(F)cn1 ZINC001071454608 1254209472 /nfs/dbraw/zinc/20/94/72/1254209472.db2.gz OHGTTXODQQGXHD-IUODEOHRSA-N -1 1 344.390 2.104 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001186327144 1279042054 /nfs/dbraw/zinc/04/20/54/1279042054.db2.gz NJSYMTJLUYHBSS-UHFFFAOYSA-N -1 1 329.253 2.472 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001187372321 1279515099 /nfs/dbraw/zinc/51/50/99/1279515099.db2.gz DBPNZNJBJCIURP-UHFFFAOYSA-N -1 1 327.344 2.488 20 0 EEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ncncc2Cl)c1 ZINC001187545604 1279579356 /nfs/dbraw/zinc/57/93/56/1279579356.db2.gz QUYROEKGUYASOP-UHFFFAOYSA-N -1 1 348.167 2.282 20 0 EEADMM O=S(=O)([N-][C@H](CCO)c1ccc(Cl)cc1)c1nccs1 ZINC001187907962 1279696593 /nfs/dbraw/zinc/69/65/93/1279696593.db2.gz GCTYRLZCUHHPLJ-LLVKDONJSA-N -1 1 332.834 2.199 20 0 EEADMM CCCC[C@@](CC)([N-]S(=O)(=O)c1nccs1)C(=O)OCC ZINC001187918243 1279698101 /nfs/dbraw/zinc/69/81/01/1279698101.db2.gz XSZRLLPVMYGGSI-CYBMUJFWSA-N -1 1 334.463 2.324 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(C)c(C)n1 ZINC001187980314 1279727117 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C[C@H]1CC[C@H](CO)CN1C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190261670 1280763827 /nfs/dbraw/zinc/76/38/27/1280763827.db2.gz XJSYJRFIGCIKJZ-STQMWFEESA-N -1 1 327.384 2.082 20 0 EEADMM CCn1cc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)ccc1=O ZINC001190270406 1280770229 /nfs/dbraw/zinc/77/02/29/1280770229.db2.gz PCNKEDKEIXDREI-UHFFFAOYSA-N -1 1 336.351 2.283 20 0 EEADMM COC(=O)[C@H](CC(C)C)NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001190780454 1281073269 /nfs/dbraw/zinc/07/32/69/1281073269.db2.gz GNVROTOWIBTBJU-LBPRGKRZSA-N -1 1 348.355 2.208 20 0 EEADMM COc1cc(C(=O)N[C@@H]2CCc3[nH]c(=O)ccc3C2)cc(Cl)c1[O-] ZINC001191148191 1281225508 /nfs/dbraw/zinc/22/55/08/1281225508.db2.gz HLJNUULKKWMDQM-LLVKDONJSA-N -1 1 348.786 2.442 20 0 EEADMM CSc1ncc(C(=O)NCC(C)(C)C(=O)OC(C)(C)C)c(=O)[n-]1 ZINC001191440300 1281402330 /nfs/dbraw/zinc/40/23/30/1281402330.db2.gz KKOKHAGPNGKFBZ-UHFFFAOYSA-N -1 1 341.433 2.002 20 0 EEADMM COC(=O)Cc1ccc(OC)c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191523150 1281432028 /nfs/dbraw/zinc/43/20/28/1281432028.db2.gz KOKXKFYQINNZCS-UHFFFAOYSA-N -1 1 341.429 2.343 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccccn1 ZINC001192683261 1282101607 /nfs/dbraw/zinc/10/16/07/1282101607.db2.gz CLJVQGPMFDYSSF-CYBMUJFWSA-N -1 1 336.294 2.100 20 0 EEADMM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc([O-])cc(F)c1F)C2 ZINC001192665445 1282124367 /nfs/dbraw/zinc/12/43/67/1282124367.db2.gz XCCLOSYEKBCEBD-AEJSXWLSSA-N -1 1 325.311 2.084 20 0 EEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2cnccc2Cl)c1F ZINC001192897844 1282222080 /nfs/dbraw/zinc/22/20/80/1282222080.db2.gz ZPDIAHGQVKKNTM-UHFFFAOYSA-N -1 1 344.751 2.462 20 0 EEADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(C(F)(F)F)c1O ZINC001193275378 1282417325 /nfs/dbraw/zinc/41/73/25/1282417325.db2.gz SLLSZYZHNOXMPE-MRVPVSSYSA-N -1 1 325.308 2.332 20 0 EEADMM COc1ccnc(C(=O)Nc2ccccc2CN2CCCC2=O)c1[O-] ZINC001193532545 1282541015 /nfs/dbraw/zinc/54/10/15/1282541015.db2.gz YSYYYTOSTRKUEX-UHFFFAOYSA-N -1 1 341.367 2.171 20 0 EEADMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccccc3N)ccc2C(=O)N1 ZINC001193938003 1282772927 /nfs/dbraw/zinc/77/29/27/1282772927.db2.gz MPRCBVZWGJLVJL-UHFFFAOYSA-N -1 1 345.424 2.134 20 0 EEADMM Cc1cccc(C)c1S(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001194610165 1283169870 /nfs/dbraw/zinc/16/98/70/1283169870.db2.gz ZYGQYKWIENXVLO-UHFFFAOYSA-N -1 1 340.386 2.286 20 0 EEADMM CC[C@H](C)COC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001194806163 1283305335 /nfs/dbraw/zinc/30/53/35/1283305335.db2.gz ZGKGNFPWZFFHPT-JTQLQIEISA-N -1 1 330.406 2.237 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1cnc2cc(C(F)(F)F)nn2c1 ZINC001195458118 1283569334 /nfs/dbraw/zinc/56/93/34/1283569334.db2.gz MMWDAZJBDXHDND-UHFFFAOYSA-N -1 1 333.295 2.191 20 0 EEADMM CC(C)Oc1ccc(CCNC(=O)c2c[nH]c(=S)[n-]c2=O)cc1 ZINC001196025334 1283860591 /nfs/dbraw/zinc/86/05/91/1283860591.db2.gz ZZZYGNFUWZMKQI-UHFFFAOYSA-N -1 1 333.413 2.231 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000867163443 1283927283 /nfs/dbraw/zinc/92/72/83/1283927283.db2.gz VRZIXWRYKYHGGO-UHFFFAOYSA-N -1 1 329.447 2.010 20 0 EEADMM O=c1c([N-]S(=O)(=O)c2ccc(Cl)cn2)cccn1C(F)F ZINC001196258444 1283962475 /nfs/dbraw/zinc/96/24/75/1283962475.db2.gz PITCTELZCQQEAC-UHFFFAOYSA-N -1 1 335.719 2.093 20 0 EEADMM COc1cccc(CS(=O)(=O)[N-]c2cnc(C(F)(F)F)nc2)c1 ZINC001197347139 1284557244 /nfs/dbraw/zinc/55/72/44/1284557244.db2.gz KQKVAEIZDHJVLA-UHFFFAOYSA-N -1 1 347.318 2.446 20 0 EEADMM Cc1cc([N-]S(=O)(=O)Cc2cccnc2)ncc1Br ZINC001197416095 1284602784 /nfs/dbraw/zinc/60/27/84/1284602784.db2.gz KNICAMXLTWFZCW-UHFFFAOYSA-N -1 1 342.218 2.489 20 0 EEADMM Cc1nonc1C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197538107 1284661025 /nfs/dbraw/zinc/66/10/25/1284661025.db2.gz OBEGGVJQODOKNB-UHFFFAOYSA-N -1 1 336.200 2.304 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ncc2F)cn1 ZINC001198276328 1285062861 /nfs/dbraw/zinc/06/28/61/1285062861.db2.gz ICDGNOBTJZLDQM-UHFFFAOYSA-N -1 1 346.181 2.487 20 0 EEADMM C=CS(=O)(=O)[N-]c1cc(Br)cc(Br)n1 ZINC001198572664 1285230515 /nfs/dbraw/zinc/23/05/15/1285230515.db2.gz FVBBUOOEKNCGBS-UHFFFAOYSA-N -1 1 342.012 2.492 20 0 EEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1cncc(N2CCCC2)c1 ZINC001198746714 1285317269 /nfs/dbraw/zinc/31/72/69/1285317269.db2.gz JQNPJRARLWVGKP-UHFFFAOYSA-N -1 1 347.396 2.181 20 0 EEADMM C[C@@H](Oc1ccc(F)cc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000007233114 1291742761 /nfs/dbraw/zinc/74/27/61/1291742761.db2.gz KUKBMWFJJWGOFZ-GFCCVEGCSA-N -1 1 345.326 2.093 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC2SCCS2)c(F)c1 ZINC000851832221 1291870738 /nfs/dbraw/zinc/87/07/38/1291870738.db2.gz GXTFBXLLELXWPY-UHFFFAOYSA-N -1 1 341.426 2.058 20 0 EEADMM Cc1cccnc1NC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000853874632 1292502867 /nfs/dbraw/zinc/50/28/67/1292502867.db2.gz NPEXAKWPWXTVMH-KOLCDFICSA-N -1 1 344.337 2.311 20 0 EEADMM C[C@@H]1CCN(c2ncc3c(n2)CCCC3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853986643 1292570797 /nfs/dbraw/zinc/57/07/97/1292570797.db2.gz QBERJSCGCGGWJO-MFKMUULPSA-N -1 1 342.365 2.249 20 0 EEADMM 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CCCCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259471419 1319587317 /nfs/dbraw/zinc/58/73/17/1319587317.db2.gz URNALUXJRVFKPW-VIFPVBQESA-N -1 1 337.800 2.489 20 0 EEADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc3c2CNC(=O)C3)c1 ZINC001259524801 1319611060 /nfs/dbraw/zinc/61/10/60/1319611060.db2.gz KCZOAIPWWYQQOL-UHFFFAOYSA-N -1 1 330.409 2.277 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc4c(Cl)ccnc4cn3)c2[nH]1 ZINC001159189562 1319669853 /nfs/dbraw/zinc/66/98/53/1319669853.db2.gz LXMZDGGCKFQBGI-UHFFFAOYSA-N -1 1 329.707 2.056 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)cc(-c3ccncc3)n2)[n-]1 ZINC001159204624 1319681345 /nfs/dbraw/zinc/68/13/45/1319681345.db2.gz NPWFHIUNZALIAX-UHFFFAOYSA-N -1 1 340.734 2.308 20 0 EEADMM CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC001260425328 1319887364 /nfs/dbraw/zinc/88/73/64/1319887364.db2.gz ATGNXAGFCWOAOF-UHFFFAOYSA-N -1 1 345.635 2.013 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c1 ZINC001260811105 1319982660 /nfs/dbraw/zinc/98/26/60/1319982660.db2.gz FABJQJPJNGGZEH-UHFFFAOYSA-N -1 1 332.381 2.381 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ncn(C)c3c2)c1 ZINC001260845045 1319990803 /nfs/dbraw/zinc/99/08/03/1319990803.db2.gz PWXGMSLXEYCLPG-UHFFFAOYSA-N -1 1 345.380 2.161 20 0 EEADMM Cc1c(Cl)ccc2ccc(Nc3c(O)[nH]c(=O)[n-]c3=S)nc12 ZINC001160854433 1320292132 /nfs/dbraw/zinc/29/21/32/1320292132.db2.gz WCHHSLIYBJTJEW-LLVKDONJSA-N -1 1 334.788 2.144 20 0 EEADMM CSc1nc(CNc2ncnc3c2cnn3C(C)(C)C)cc(=O)[n-]1 ZINC001163611262 1321170465 /nfs/dbraw/zinc/17/04/65/1321170465.db2.gz MTDODFWVSKTTSH-UHFFFAOYSA-N -1 1 345.432 2.411 20 0 EEADMM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC001261023799 1322001255 /nfs/dbraw/zinc/00/12/55/1322001255.db2.gz SOEUKGZBTMGLNF-UHFFFAOYSA-N -1 1 328.781 2.078 20 0 EEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001261031657 1322003681 /nfs/dbraw/zinc/00/36/81/1322003681.db2.gz HNDVDUQQOBLHAI-NSHDSACASA-N -1 1 334.323 2.003 20 0 EEADMM O=C(NCCc1ccc(C(F)(F)F)cn1)C(=O)c1ccc([O-])cc1 ZINC001263921888 1322554964 /nfs/dbraw/zinc/55/49/64/1322554964.db2.gz IXDKDSJEZPRWSC-UHFFFAOYSA-N -1 1 338.285 2.348 20 0 EEADMM COC(=O)c1nc(Br)cnc1[N-]c1ncccc1F ZINC001209805770 1325053453 /nfs/dbraw/zinc/05/34/53/1325053453.db2.gz YOZKMIFZAPDGJK-UHFFFAOYSA-N -1 1 327.113 2.303 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)N1CCCCCC1 ZINC001590035185 1349120085 /nfs/dbraw/zinc/12/00/85/1349120085.db2.gz COKCBDONRMWYIW-LLVKDONJSA-N -1 1 332.433 2.145 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)N1CCCCCC1 ZINC001590035185 1349120092 /nfs/dbraw/zinc/12/00/92/1349120092.db2.gz COKCBDONRMWYIW-LLVKDONJSA-N -1 1 332.433 2.145 20 0 EEADMM C[C@H]1N(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCOC1(C)C ZINC001590332224 1349269705 /nfs/dbraw/zinc/26/97/05/1349269705.db2.gz WFPDAHPWJPOKGO-MRVPVSSYSA-N -1 1 342.325 2.284 20 0 EEADMM C[C@H]1N(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCOC1(C)C ZINC001590332224 1349269710 /nfs/dbraw/zinc/26/97/10/1349269710.db2.gz WFPDAHPWJPOKGO-MRVPVSSYSA-N -1 1 342.325 2.284 20 0 EEADMM O=C([O-])[C@@H]1CC(=O)N(CN(C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC001601757570 1350357906 /nfs/dbraw/zinc/35/79/06/1350357906.db2.gz VBNYEXBKPMYMAE-RHSMWYFYSA-N -1 1 328.412 2.419 20 0 EEADMM O=C([O-])c1ccc(CN[C@@H](CO)c2ccc(Br)cc2)[nH]1 ZINC001602344682 1350500271 /nfs/dbraw/zinc/50/02/71/1350500271.db2.gz RFPAHUNHKPLFEU-ZDUSSCGKSA-N -1 1 339.189 2.299 20 0 EEADMM O=C([O-])c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)cc1F ZINC001602347628 1350500828 /nfs/dbraw/zinc/50/08/28/1350500828.db2.gz GGYCGIPLDJWEHV-UHFFFAOYSA-N -1 1 349.383 2.144 20 0 EEADMM CC(C)(C)OC(=O)CN(CCCC1CCOCC1)CCC(=O)[O-] ZINC001603373580 1350697915 /nfs/dbraw/zinc/69/79/15/1350697915.db2.gz DDPCMZAJEBSSCY-UHFFFAOYSA-N -1 1 329.437 2.312 20 0 EEADMM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603585000 1350725569 /nfs/dbraw/zinc/72/55/69/1350725569.db2.gz LBLKKVZMLRFUPY-JTQLQIEISA-N -1 1 343.416 2.418 20 0 EEADMM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603585000 1350725572 /nfs/dbraw/zinc/72/55/72/1350725572.db2.gz LBLKKVZMLRFUPY-JTQLQIEISA-N -1 1 343.416 2.418 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(CN2CCNC2=O)cc1 ZINC001608037763 1351611741 /nfs/dbraw/zinc/61/17/41/1351611741.db2.gz SBINVOBUTUKWHW-UHFFFAOYSA-N -1 1 343.383 2.101 20 0 EEADMM CC[N@@H+](Cc1cn2ccnc2s1)Cc1c(CO)cnc(C)c1O ZINC001308948476 1331609382 /nfs/dbraw/zinc/60/93/82/1331609382.db2.gz HYAYBTTZRMMKID-UHFFFAOYSA-N -1 1 332.429 2.319 20 0 EEADMM COc1nscc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC001309434524 1331629942 /nfs/dbraw/zinc/62/99/42/1331629942.db2.gz YCJZKQZKSXNRAN-UHFFFAOYSA-N -1 1 337.426 2.154 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CNCc2nnc(-c3ccccc3)s2)C1(F)F ZINC001608597380 1351722694 /nfs/dbraw/zinc/72/26/94/1351722694.db2.gz LLEZMCGWGIAOER-KOLCDFICSA-N -1 1 325.340 2.261 20 0 EEADMM COc1ccc2ncc(Cl)c(OS(=O)(=O)c3c[n-]cn3)c2c1 ZINC001309894206 1331646664 /nfs/dbraw/zinc/64/66/64/1331646664.db2.gz RKPFKOULVGJZDV-UHFFFAOYSA-N -1 1 339.760 2.388 20 0 EEADMM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)Nc1cccc2[nH]nnc21 ZINC001608775690 1351760702 /nfs/dbraw/zinc/76/07/02/1351760702.db2.gz WHEXOXCNVVUCPL-UHFFFAOYSA-N -1 1 335.323 2.319 20 0 EEADMM O=C([O-])c1ncc(NC(=O)N2CCN(C3CCC3)CC2)cc1Cl ZINC001608998056 1351811510 /nfs/dbraw/zinc/81/15/10/1351811510.db2.gz XVAZDWHGYWNZLV-UHFFFAOYSA-N -1 1 338.795 2.135 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCOc1ccccc1 ZINC001321955445 1333185893 /nfs/dbraw/zinc/18/58/93/1333185893.db2.gz ATKOLBPFPUNKPT-UHFFFAOYSA-N -1 1 343.351 2.331 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001609067170 1351829865 /nfs/dbraw/zinc/82/98/65/1351829865.db2.gz WPFJEIAPSWBYEX-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001609067170 1351829872 /nfs/dbraw/zinc/82/98/72/1351829872.db2.gz WPFJEIAPSWBYEX-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(C)N(Cc1cccc(F)c1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609099271 1351842916 /nfs/dbraw/zinc/84/29/16/1351842916.db2.gz UAQMXBZXKRONBL-UHFFFAOYSA-N -1 1 342.378 2.036 20 0 EEADMM C[C@H](C1CC1)n1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001609108631 1351846591 /nfs/dbraw/zinc/84/65/91/1351846591.db2.gz RYRVIHJWJFTQCV-SECBINFHSA-N -1 1 341.350 2.426 20 0 EEADMM C[C@H](C1CC1)n1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001609108631 1351846593 /nfs/dbraw/zinc/84/65/93/1351846593.db2.gz RYRVIHJWJFTQCV-SECBINFHSA-N -1 1 341.350 2.426 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609152653 1351864395 /nfs/dbraw/zinc/86/43/95/1351864395.db2.gz HVHFEFUHLQVHBE-IONNQARKSA-N -1 1 343.284 2.419 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609152653 1351864397 /nfs/dbraw/zinc/86/43/97/1351864397.db2.gz HVHFEFUHLQVHBE-IONNQARKSA-N -1 1 343.284 2.419 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC2(CCCC2)O1 ZINC001609171951 1351875706 /nfs/dbraw/zinc/87/57/06/1351875706.db2.gz MJMNYZUXFDEBOS-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC2(CCCC2)O1 ZINC001609171951 1351875710 /nfs/dbraw/zinc/87/57/10/1351875710.db2.gz MJMNYZUXFDEBOS-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM CCCCNc1ccccc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609210693 1351893528 /nfs/dbraw/zinc/89/35/28/1351893528.db2.gz JYWBBDFJKFOBMY-UHFFFAOYSA-N -1 1 340.391 2.363 20 0 EEADMM CCN(Cc1ccccc1Cl)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001609225270 1351901656 /nfs/dbraw/zinc/90/16/56/1351901656.db2.gz HMBAJWMVQVTMAR-UHFFFAOYSA-N -1 1 344.806 2.161 20 0 EEADMM COC(=O)[C@@H](CC(C)(C)C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609293137 1351923559 /nfs/dbraw/zinc/92/35/59/1351923559.db2.gz JTWARLUMPSPPBU-SECBINFHSA-N -1 1 338.799 2.305 20 0 EEADMM COC(=O)[C@@H](CC(C)(C)C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609293137 1351923561 /nfs/dbraw/zinc/92/35/61/1351923561.db2.gz JTWARLUMPSPPBU-SECBINFHSA-N -1 1 338.799 2.305 20 0 EEADMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)O1 ZINC001328708222 1334503799 /nfs/dbraw/zinc/50/37/99/1334503799.db2.gz FVSHEJMMQSAVHL-JGVFFNPUSA-N -1 1 325.217 2.234 20 0 EEADMM COC[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001609317745 1351931478 /nfs/dbraw/zinc/93/14/78/1351931478.db2.gz POIXHEUNPLXFJZ-NSHDSACASA-N -1 1 345.794 2.152 20 0 EEADMM COC[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001609317745 1351931479 /nfs/dbraw/zinc/93/14/79/1351931479.db2.gz POIXHEUNPLXFJZ-NSHDSACASA-N -1 1 345.794 2.152 20 0 EEADMM COC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001609319858 1351932052 /nfs/dbraw/zinc/93/20/52/1351932052.db2.gz NIYFTVFBVQIJET-VIFPVBQESA-N -1 1 342.325 2.143 20 0 EEADMM COC[C@H]1CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001609319858 1351932056 /nfs/dbraw/zinc/93/20/56/1351932056.db2.gz NIYFTVFBVQIJET-VIFPVBQESA-N -1 1 342.325 2.143 20 0 EEADMM COCCCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609323747 1351933391 /nfs/dbraw/zinc/93/33/91/1351933391.db2.gz ZNVOYFYHPFJBRB-UHFFFAOYSA-N -1 1 343.343 2.127 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609345446 1351939853 /nfs/dbraw/zinc/93/98/53/1351939853.db2.gz XERGEYAKSWTPMG-UHFFFAOYSA-N -1 1 347.762 2.360 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609345446 1351939856 /nfs/dbraw/zinc/93/98/56/1351939856.db2.gz XERGEYAKSWTPMG-UHFFFAOYSA-N -1 1 347.762 2.360 20 0 EEADMM C[C@@H]1CCN(C(=O)N[C@H]2C=CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001329889763 1334733697 /nfs/dbraw/zinc/73/36/97/1334733697.db2.gz AWBLXCDIPVNVSW-WOPDTQHZSA-N -1 1 333.354 2.194 20 0 EEADMM COc1ccc(C(C)=O)c(OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001609351728 1351942274 /nfs/dbraw/zinc/94/22/74/1351942274.db2.gz ILRRUZMBNAYSHW-UHFFFAOYSA-N -1 1 344.352 2.359 20 0 EEADMM Cc1ccc(N(C)C[C@@H]2OCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001609424701 1351971398 /nfs/dbraw/zinc/97/13/98/1351971398.db2.gz CUPADGSYFJZVDX-HNNXBMFYSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1ccc(N(C)C[C@@H]2OCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001609424701 1351971400 /nfs/dbraw/zinc/97/14/00/1351971400.db2.gz CUPADGSYFJZVDX-HNNXBMFYSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1ccc(N(C)C[C@H]2OCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001609424702 1351971517 /nfs/dbraw/zinc/97/15/17/1351971517.db2.gz CUPADGSYFJZVDX-OAHLLOKOSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1ccc(N(C)C[C@H]2OCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001609424702 1351971518 /nfs/dbraw/zinc/97/15/18/1351971518.db2.gz CUPADGSYFJZVDX-OAHLLOKOSA-N -1 1 336.399 2.320 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609551101 1352013522 /nfs/dbraw/zinc/01/35/22/1352013522.db2.gz PYJXNGUBIWZSDI-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609551101 1352013524 /nfs/dbraw/zinc/01/35/24/1352013524.db2.gz PYJXNGUBIWZSDI-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609564143 1352017749 /nfs/dbraw/zinc/01/77/49/1352017749.db2.gz HXMHWGCUKQRGRQ-ZDUSSCGKSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609564143 1352017754 /nfs/dbraw/zinc/01/77/54/1352017754.db2.gz HXMHWGCUKQRGRQ-ZDUSSCGKSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](c2ccccc2)C1 ZINC001609582821 1352025993 /nfs/dbraw/zinc/02/59/93/1352025993.db2.gz IWRGVRIKLVBBDS-CQSZACIVSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2ccccc2)C1 ZINC001609582821 1352025995 /nfs/dbraw/zinc/02/59/95/1352025995.db2.gz IWRGVRIKLVBBDS-CQSZACIVSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2CC1(C(F)(F)F)C2 ZINC001609581739 1352026286 /nfs/dbraw/zinc/02/62/86/1352026286.db2.gz FUNGPZZNOATPAO-UHFFFAOYSA-N -1 1 329.307 2.095 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2CC1(C(F)(F)F)C2 ZINC001609581739 1352026293 /nfs/dbraw/zinc/02/62/93/1352026293.db2.gz FUNGPZZNOATPAO-UHFFFAOYSA-N -1 1 329.307 2.095 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC=C(C(F)(F)F)CC1 ZINC001609584938 1352027249 /nfs/dbraw/zinc/02/72/49/1352027249.db2.gz OXBPCBDQKRAIIZ-UHFFFAOYSA-N -1 1 329.307 2.263 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1csc2c1CCCC2 ZINC001609872610 1352108392 /nfs/dbraw/zinc/10/83/92/1352108392.db2.gz VOYHYEJTCRCVCK-GFCCVEGCSA-N -1 1 336.457 2.248 20 0 EEADMM CC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1 ZINC001609884550 1352110935 /nfs/dbraw/zinc/11/09/35/1352110935.db2.gz HZJOJERADUDVPV-BBRMVZONSA-N -1 1 336.407 2.327 20 0 EEADMM CC[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(=O)[O-] ZINC001609931645 1352122856 /nfs/dbraw/zinc/12/28/56/1352122856.db2.gz NLCQDJZZAHDGSV-CHWSQXEVSA-N -1 1 342.342 2.236 20 0 EEADMM CC[C@@H](NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC001609931595 1352123175 /nfs/dbraw/zinc/12/31/75/1352123175.db2.gz DAKXWYOYGRORPS-GXTWGEPZSA-N -1 1 336.413 2.322 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC001609947489 1352126985 /nfs/dbraw/zinc/12/69/85/1352126985.db2.gz OIBRGOHRAIKYHH-OAHLLOKOSA-N -1 1 341.411 2.450 20 0 EEADMM CC(C)=CCOc1cccc(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001347973134 1337528591 /nfs/dbraw/zinc/52/85/91/1337528591.db2.gz BWSGKNBRULBBKS-OAHLLOKOSA-N -1 1 341.415 2.103 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC001348535995 1337558483 /nfs/dbraw/zinc/55/84/83/1337558483.db2.gz VQUYMBBBRXVPFZ-CYBMUJFWSA-N -1 1 329.425 2.409 20 0 EEADMM Cc1cn(CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c2ccccc12 ZINC001350948068 1337774685 /nfs/dbraw/zinc/77/46/85/1337774685.db2.gz LUFYXMRXRYBGQJ-UHFFFAOYSA-N -1 1 340.383 2.445 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596988 1337994161 /nfs/dbraw/zinc/99/41/61/1337994161.db2.gz WUNQQYWADXCTDV-QGZVFWFLSA-N -1 1 333.395 2.425 20 0 EEADMM COCCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC001610260407 1352195968 /nfs/dbraw/zinc/19/59/68/1352195968.db2.gz VPRLHOMOSASFSY-UHFFFAOYSA-N -1 1 332.356 2.090 20 0 EEADMM CC1=C(C)CN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)CC1 ZINC001355708939 1338743908 /nfs/dbraw/zinc/74/39/08/1338743908.db2.gz ZQUSAXXCJPWZIV-UHFFFAOYSA-N -1 1 326.404 2.402 20 0 EEADMM Cc1cc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)ccc2[nH]1 ZINC001610479377 1352229341 /nfs/dbraw/zinc/22/93/41/1352229341.db2.gz UONKTISYNDEFBT-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@@](C)(N)c2ccccc2)C(=O)[O-])cc1 ZINC001610491414 1352232039 /nfs/dbraw/zinc/23/20/39/1352232039.db2.gz BWGKOUQGMAAJKZ-APWZRJJASA-N -1 1 326.396 2.154 20 0 EEADMM Cc1nc([C@H]2CCN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)C2)n[nH]1 ZINC001610554348 1352243896 /nfs/dbraw/zinc/24/38/96/1352243896.db2.gz AMPHBUBFHISKFW-QMMMGPOBSA-N -1 1 341.293 2.219 20 0 EEADMM Cc1nnc([C@H]2CCN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)C2)[nH]1 ZINC001610554348 1352243899 /nfs/dbraw/zinc/24/38/99/1352243899.db2.gz AMPHBUBFHISKFW-QMMMGPOBSA-N -1 1 341.293 2.219 20 0 EEADMM Cc1nc([C@H](C)NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001610573374 1352247308 /nfs/dbraw/zinc/24/73/08/1352247308.db2.gz SPMGAIVVMHOGLR-ZJUUUORDSA-N -1 1 331.376 2.259 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cn[nH]c1-c1ccccn1)CC2 ZINC001610842975 1352284128 /nfs/dbraw/zinc/28/41/28/1352284128.db2.gz NLGFZNFQVXAGFM-UHFFFAOYSA-N -1 1 348.362 2.368 20 0 EEADMM Cc1cocc1C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001431104567 1340450442 /nfs/dbraw/zinc/45/04/42/1340450442.db2.gz ZDKUWEATMNBTQR-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)CC(C)(C)C ZINC001432071207 1340873493 /nfs/dbraw/zinc/87/34/93/1340873493.db2.gz RVWSRIJTWBUZHV-CYBMUJFWSA-N -1 1 333.432 2.144 20 0 EEADMM CS(=O)(=O)c1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC001433609374 1341637168 /nfs/dbraw/zinc/63/71/68/1341637168.db2.gz PTMAPHKFBRXZPJ-UHFFFAOYSA-N -1 1 340.788 2.025 20 0 EEADMM COc1ccc([C@H](O)CNC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001433791164 1341691273 /nfs/dbraw/zinc/69/12/73/1341691273.db2.gz IBUGMULEVOMFLG-MRXNPFEDSA-N -1 1 335.787 2.447 20 0 EEADMM O=S(=O)([N-]Cc1ccc2c(c1)CCC2)c1c[nH]nc1C(F)(F)F ZINC001434545451 1341869141 /nfs/dbraw/zinc/86/91/41/1341869141.db2.gz NWPHMXCPCVHNRE-UHFFFAOYSA-N -1 1 345.346 2.396 20 0 EEADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001553605922 1342353315 /nfs/dbraw/zinc/35/33/15/1342353315.db2.gz FZJRFZUANNZIST-DWLXGCBVSA-N -1 1 345.367 2.355 20 0 EEADMM CC1(C(=O)Nc2cccc(F)c2[O-])C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001553616282 1342354602 /nfs/dbraw/zinc/35/46/02/1342354602.db2.gz ZVYLGJWPAYERPA-WYPFBEBGSA-N -1 1 327.377 2.216 20 0 EEADMM CC/C=C(\F)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001577181186 1344099563 /nfs/dbraw/zinc/09/95/63/1344099563.db2.gz CVSUADQNFUZEPT-WMZJFQQLSA-N -1 1 345.313 2.393 20 0 EEADMM CN(C(=O)Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578881966 1344314010 /nfs/dbraw/zinc/31/40/10/1344314010.db2.gz UBTBFTVUDJEKCK-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578881966 1344314014 /nfs/dbraw/zinc/31/40/14/1344314014.db2.gz UBTBFTVUDJEKCK-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM COc1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)sn1 ZINC001579171433 1344347563 /nfs/dbraw/zinc/34/75/63/1344347563.db2.gz UAATTYSHBUWIBO-GFCCVEGCSA-N -1 1 339.442 2.090 20 0 EEADMM CN1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)c2cc(F)ccc21 ZINC001579375280 1344376723 /nfs/dbraw/zinc/37/67/23/1344376723.db2.gz UJEUMOBVVRFNMR-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM COC(=O)c1c(C)sc(C)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579479943 1344387646 /nfs/dbraw/zinc/38/76/46/1344387646.db2.gz YFLMCUZSBUPENW-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COC(=O)c1c(C)sc(C)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579479943 1344387651 /nfs/dbraw/zinc/38/76/51/1344387651.db2.gz YFLMCUZSBUPENW-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC001579594631 1344397934 /nfs/dbraw/zinc/39/79/34/1344397934.db2.gz OJPVJKIWKRBBCN-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC001579594631 1344397940 /nfs/dbraw/zinc/39/79/40/1344397940.db2.gz OJPVJKIWKRBBCN-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COCc1ccccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001579834435 1344420175 /nfs/dbraw/zinc/42/01/75/1344420175.db2.gz NPIVCWXHJLMWOY-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COCc1ccccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001579834435 1344420177 /nfs/dbraw/zinc/42/01/77/1344420177.db2.gz NPIVCWXHJLMWOY-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C)c(F)c2F)c1-c1nnn[n-]1 ZINC001581174598 1344594451 /nfs/dbraw/zinc/59/44/51/1344594451.db2.gz YEXPMWYPBMOXPH-UHFFFAOYSA-N -1 1 336.327 2.471 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C)c(F)c2F)c1-c1nn[n-]n1 ZINC001581174598 1344594455 /nfs/dbraw/zinc/59/44/55/1344594455.db2.gz YEXPMWYPBMOXPH-UHFFFAOYSA-N -1 1 336.327 2.471 20 0 EEADMM O=C(NC1(c2ccccc2F)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582245006 1344717283 /nfs/dbraw/zinc/71/72/83/1344717283.db2.gz QCNUBMJXQUONDD-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(NC1(c2ccccc2F)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582245006 1344717286 /nfs/dbraw/zinc/71/72/86/1344717286.db2.gz QCNUBMJXQUONDD-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1csc(-c2nn[n-]n2)c1 ZINC001582343892 1344739089 /nfs/dbraw/zinc/73/90/89/1344739089.db2.gz HPLFUNYBXUZONP-VIFPVBQESA-N -1 1 349.322 2.070 20 0 EEADMM O=C(N[C@H]1COCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001582346515 1344739573 /nfs/dbraw/zinc/73/95/73/1344739573.db2.gz SWSMZCDVZGWVKF-AWEZNQCLSA-N -1 1 339.330 2.007 20 0 EEADMM O=C(N[C@H]1COCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001582346515 1344739577 /nfs/dbraw/zinc/73/95/77/1344739577.db2.gz SWSMZCDVZGWVKF-AWEZNQCLSA-N -1 1 339.330 2.007 20 0 EEADMM O=C(Nc1ccc(OC(F)F)cn1)c1csc(-c2nn[n-]n2)c1 ZINC001582641649 1344775889 /nfs/dbraw/zinc/77/58/89/1344775889.db2.gz ICTSOTLJWKRTFX-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM OCc1ccc(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001582813553 1344795625 /nfs/dbraw/zinc/79/56/25/1344795625.db2.gz NXYFZNYWAPZQIQ-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001588512272 1348911217 /nfs/dbraw/zinc/91/12/17/1348911217.db2.gz PBPJEBXHHNTAET-UUILKARUSA-N -1 1 344.444 2.099 20 0 EEADMM C[C@H](C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001588998168 1348951987 /nfs/dbraw/zinc/95/19/87/1348951987.db2.gz OWGXLXVISCOEES-QMMMGPOBSA-N -1 1 333.298 2.158 20 0 EEADMM C[C@H](C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccco1 ZINC001588998168 1348951991 /nfs/dbraw/zinc/95/19/91/1348951991.db2.gz OWGXLXVISCOEES-QMMMGPOBSA-N -1 1 333.298 2.158 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589099038 1348958347 /nfs/dbraw/zinc/95/83/47/1348958347.db2.gz HXTZGJXFPTZDMI-OLZOCXBDSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589099038 1348958349 /nfs/dbraw/zinc/95/83/49/1348958349.db2.gz HXTZGJXFPTZDMI-OLZOCXBDSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCc2ccccc2)n1 ZINC001589250311 1348975194 /nfs/dbraw/zinc/97/51/94/1348975194.db2.gz NGVCIZUBQGQWNQ-UHFFFAOYSA-N -1 1 339.403 2.390 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCc2ccccc2)n1 ZINC001589250311 1348975197 /nfs/dbraw/zinc/97/51/97/1348975197.db2.gz NGVCIZUBQGQWNQ-UHFFFAOYSA-N -1 1 339.403 2.390 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)CC(F)F ZINC001589283428 1348978535 /nfs/dbraw/zinc/97/85/35/1348978535.db2.gz QZIUROJZCJKLCF-UHFFFAOYSA-N -1 1 344.753 2.326 20 0 EEADMM C[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001589792375 1349044018 /nfs/dbraw/zinc/04/40/18/1349044018.db2.gz AFCLBIAIOGIOHP-LLVKDONJSA-N -1 1 340.362 2.211 20 0 EEADMM C[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001589792375 1349044021 /nfs/dbraw/zinc/04/40/21/1349044021.db2.gz AFCLBIAIOGIOHP-LLVKDONJSA-N -1 1 340.362 2.211 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC001589985599 1349094420 /nfs/dbraw/zinc/09/44/20/1349094420.db2.gz MRIVNTYBAPMYRO-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC001589985599 1349094425 /nfs/dbraw/zinc/09/44/25/1349094425.db2.gz MRIVNTYBAPMYRO-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM C[C@@H]1[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@@H]1c1ccccc1 ZINC001590166185 1349182886 /nfs/dbraw/zinc/18/28/86/1349182886.db2.gz WFFYVLOGNSIBFS-TVYUQYBPSA-N -1 1 349.398 2.455 20 0 EEADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590195532 1349195379 /nfs/dbraw/zinc/19/53/79/1349195379.db2.gz XETKGEWASOZOLV-NXEZZACHSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590195532 1349195384 /nfs/dbraw/zinc/19/53/84/1349195384.db2.gz XETKGEWASOZOLV-NXEZZACHSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@@H]1C ZINC001590245376 1349222902 /nfs/dbraw/zinc/22/29/02/1349222902.db2.gz VUFYFPVGMBACAR-KKZNHRDASA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590252822 1349229038 /nfs/dbraw/zinc/22/90/38/1349229038.db2.gz DJJBAWLPJJLRCC-QWRGUYRKSA-N -1 1 332.433 2.049 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590252822 1349229045 /nfs/dbraw/zinc/22/90/45/1349229045.db2.gz DJJBAWLPJJLRCC-QWRGUYRKSA-N -1 1 332.433 2.049 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590449717 1349330475 /nfs/dbraw/zinc/33/04/75/1349330475.db2.gz FHYRULSMEIRXEY-AWEZNQCLSA-N -1 1 336.399 2.493 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590449717 1349330484 /nfs/dbraw/zinc/33/04/84/1349330484.db2.gz FHYRULSMEIRXEY-AWEZNQCLSA-N -1 1 336.399 2.493 20 0 EEADMM CC[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC001590477208 1349349753 /nfs/dbraw/zinc/34/97/53/1349349753.db2.gz QAIXUCOJVJDRTC-AAEUAGOBSA-N -1 1 341.375 2.022 20 0 EEADMM CC[C@@H]1C[C@H](CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCO1 ZINC001590503155 1349357028 /nfs/dbraw/zinc/35/70/28/1349357028.db2.gz IHPWXTCSAVFRRQ-MWLCHTKSSA-N -1 1 345.407 2.001 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590511651 1349362995 /nfs/dbraw/zinc/36/29/95/1349362995.db2.gz OFGWNLUQWAWOGU-ABAIWWIYSA-N -1 1 345.403 2.496 20 0 EEADMM CCCCc1ccc(NC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590614040 1349376494 /nfs/dbraw/zinc/37/64/94/1349376494.db2.gz BQHCSECMWKFNDV-LLVKDONJSA-N -1 1 340.391 2.001 20 0 EEADMM CCc1nc(N[C@@H](C)Cc2ccccc2OC)cc(-c2nnn[n-]2)n1 ZINC001590922486 1349411933 /nfs/dbraw/zinc/41/19/33/1349411933.db2.gz AJVTVPVSURBPAC-NSHDSACASA-N -1 1 339.403 2.271 20 0 EEADMM CCc1nc(N[C@@H](C)Cc2ccccc2OC)cc(-c2nn[n-]n2)n1 ZINC001590922486 1349411940 /nfs/dbraw/zinc/41/19/40/1349411940.db2.gz AJVTVPVSURBPAC-NSHDSACASA-N -1 1 339.403 2.271 20 0 EEADMM CCc1nc(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590920502 1349412119 /nfs/dbraw/zinc/41/21/19/1349412119.db2.gz XUCHFTXQUIMQDG-ZSBIGDGJSA-N -1 1 331.424 2.225 20 0 EEADMM CCc1nc(NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590920502 1349412121 /nfs/dbraw/zinc/41/21/21/1349412121.db2.gz XUCHFTXQUIMQDG-ZSBIGDGJSA-N -1 1 331.424 2.225 20 0 EEADMM CCc1nc(NC[C@@H](OC)C2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001590917923 1349412205 /nfs/dbraw/zinc/41/22/05/1349412205.db2.gz GAAABFIAONJBCA-CYBMUJFWSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(NC[C@@H](OC)C2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001590917923 1349412207 /nfs/dbraw/zinc/41/22/07/1349412207.db2.gz GAAABFIAONJBCA-CYBMUJFWSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(NCCOC2CCCCCC2)cc(-c2nnn[n-]2)n1 ZINC001590922609 1349412671 /nfs/dbraw/zinc/41/26/71/1349412671.db2.gz QYIPESSLWXKMAD-UHFFFAOYSA-N -1 1 331.424 2.370 20 0 EEADMM CCc1nc(NCCOC2CCCCCC2)cc(-c2nn[n-]n2)n1 ZINC001590922609 1349412678 /nfs/dbraw/zinc/41/26/78/1349412678.db2.gz QYIPESSLWXKMAD-UHFFFAOYSA-N -1 1 331.424 2.370 20 0 EEADMM COC(=O)c1cc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1C ZINC001591288922 1349456168 /nfs/dbraw/zinc/45/61/68/1349456168.db2.gz DREWKIZFUJUZRW-UHFFFAOYSA-N -1 1 340.343 2.161 20 0 EEADMM COC(=O)c1cc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1C ZINC001591288922 1349456175 /nfs/dbraw/zinc/45/61/75/1349456175.db2.gz DREWKIZFUJUZRW-UHFFFAOYSA-N -1 1 340.343 2.161 20 0 EEADMM COC1CCC(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001591351026 1349468419 /nfs/dbraw/zinc/46/84/19/1349468419.db2.gz GRTZVNIPCUXQAH-UHFFFAOYSA-N -1 1 335.433 2.253 20 0 EEADMM COC1CCC(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001591351026 1349468422 /nfs/dbraw/zinc/46/84/22/1349468422.db2.gz GRTZVNIPCUXQAH-UHFFFAOYSA-N -1 1 335.433 2.253 20 0 EEADMM COc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)c(Cl)n1 ZINC001591614726 1349514242 /nfs/dbraw/zinc/51/42/42/1349514242.db2.gz OQWWSCBXOJGGOA-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)c(Cl)n1 ZINC001591614726 1349514247 /nfs/dbraw/zinc/51/42/47/1349514247.db2.gz OQWWSCBXOJGGOA-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1cccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001591645703 1349522012 /nfs/dbraw/zinc/52/20/12/1349522012.db2.gz OUQHWHUEHBGXQC-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001591645703 1349522017 /nfs/dbraw/zinc/52/20/17/1349522017.db2.gz OUQHWHUEHBGXQC-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1ccccc1[C@H](C)N(OC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591646630 1349523989 /nfs/dbraw/zinc/52/39/89/1349523989.db2.gz QWCJSHLBXGWNKP-JTQLQIEISA-N -1 1 343.343 2.233 20 0 EEADMM COc1ccccc1[C@H](C)N(OC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591646630 1349523990 /nfs/dbraw/zinc/52/39/90/1349523990.db2.gz QWCJSHLBXGWNKP-JTQLQIEISA-N -1 1 343.343 2.233 20 0 EEADMM Cc1nsc(N[C@@H](C)Cc2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC001592427985 1349629599 /nfs/dbraw/zinc/62/95/99/1349629599.db2.gz ZGAIRUULMVMSNW-ZETCQYMHSA-N -1 1 332.437 2.025 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(C(F)(F)F)CC1 ZINC001592497038 1349637084 /nfs/dbraw/zinc/63/70/84/1349637084.db2.gz SFXMNRVRFNUAQA-UHFFFAOYSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(C(F)(F)F)CC1 ZINC001592497038 1349637085 /nfs/dbraw/zinc/63/70/85/1349637085.db2.gz SFXMNRVRFNUAQA-UHFFFAOYSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001592496835 1349637147 /nfs/dbraw/zinc/63/71/47/1349637147.db2.gz MGHNGUJHAIBJBB-GFCCVEGCSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@](C)(C(F)(F)F)C1 ZINC001592496835 1349637148 /nfs/dbraw/zinc/63/71/48/1349637148.db2.gz MGHNGUJHAIBJBB-GFCCVEGCSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@]2(C)CC(C)C)c1-c1nnn[n-]1 ZINC001592515833 1349644513 /nfs/dbraw/zinc/64/45/13/1349644513.db2.gz MEWQLSADMRARFG-INIZCTEOSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@]2(C)CC(C)C)c1-c1nn[n-]n1 ZINC001592515833 1349644514 /nfs/dbraw/zinc/64/45/14/1349644514.db2.gz MEWQLSADMRARFG-INIZCTEOSA-N -1 1 332.408 2.133 20 0 EEADMM Clc1sc(N[C@H]2CCOC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001592543048 1349654824 /nfs/dbraw/zinc/65/48/24/1349654824.db2.gz LKFALAPIHUUFGU-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1sc(N[C@@H]2CCOC3(CCC3)C2)nc1-c1nn[n-]n1 ZINC001592543047 1349654963 /nfs/dbraw/zinc/65/49/63/1349654963.db2.gz LKFALAPIHUUFGU-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Cn1c2ccc(CNc3cc(-c4nnn[n-]4)ncn3)cc2nc1C1CC1 ZINC001592550841 1349656267 /nfs/dbraw/zinc/65/62/67/1349656267.db2.gz COUZZPSLWIDMLH-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1c2ccc(CNc3cc(-c4nn[n-]n4)ncn3)cc2nc1C1CC1 ZINC001592550841 1349656270 /nfs/dbraw/zinc/65/62/70/1349656270.db2.gz COUZZPSLWIDMLH-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592616215 1349672762 /nfs/dbraw/zinc/67/27/62/1349672762.db2.gz MMKRFAHCUGUTFF-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592616215 1349672770 /nfs/dbraw/zinc/67/27/70/1349672770.db2.gz MMKRFAHCUGUTFF-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM FC(F)CN1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592623039 1349676244 /nfs/dbraw/zinc/67/62/44/1349676244.db2.gz BCROEPSENDXNKA-LURJTMIESA-N -1 1 349.798 2.118 20 0 EEADMM Fc1cccc(F)c1C1(CNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001592656636 1349701983 /nfs/dbraw/zinc/70/19/83/1349701983.db2.gz HDOQLRKZTXFQHT-UHFFFAOYSA-N -1 1 342.353 2.496 20 0 EEADMM Fc1cccc(F)c1C1(CNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001592656636 1349701986 /nfs/dbraw/zinc/70/19/86/1349701986.db2.gz HDOQLRKZTXFQHT-UHFFFAOYSA-N -1 1 342.353 2.496 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc2cccnc21 ZINC001593137272 1349739780 /nfs/dbraw/zinc/73/97/80/1349739780.db2.gz VFGMFZPQMSLYJH-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593244810 1349749373 /nfs/dbraw/zinc/74/93/73/1349749373.db2.gz CTWOAJQRGYSJGJ-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593244810 1349749376 /nfs/dbraw/zinc/74/93/76/1349749376.db2.gz CTWOAJQRGYSJGJ-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC001593146142 1349742459 /nfs/dbraw/zinc/74/24/59/1349742459.db2.gz HMXUWYCWSRQPMD-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(-c2ccoc2)c1 ZINC001593146142 1349742466 /nfs/dbraw/zinc/74/24/66/1349742466.db2.gz HMXUWYCWSRQPMD-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC001593259609 1349754200 /nfs/dbraw/zinc/75/42/00/1349754200.db2.gz DLBVMYLHVHQETL-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1ccco1 ZINC001593263841 1349754978 /nfs/dbraw/zinc/75/49/78/1349754978.db2.gz GMVKLXLJOJOAOY-PHDIDXHHSA-N -1 1 336.764 2.312 20 0 EEADMM O=C(O[C@@H]1COc2cc(Cl)ccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593281394 1349761178 /nfs/dbraw/zinc/76/11/78/1349761178.db2.gz XHFAWWBDPSAFIT-GFCCVEGCSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(O[C@@H]1COc2cc(Cl)ccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593281394 1349761181 /nfs/dbraw/zinc/76/11/81/1349761181.db2.gz XHFAWWBDPSAFIT-GFCCVEGCSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(OC[C@@]12CCC[C@H]1OCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283936 1349761582 /nfs/dbraw/zinc/76/15/82/1349761582.db2.gz FQVGVXXKJNHQCV-WBMJQRKESA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@@]12CCC[C@H]1OCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283936 1349761590 /nfs/dbraw/zinc/76/15/90/1349761590.db2.gz FQVGVXXKJNHQCV-WBMJQRKESA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1cccc(-c2nnn[n-]2)n1 ZINC001593291478 1349768348 /nfs/dbraw/zinc/76/83/48/1349768348.db2.gz RYKFUXZYYWPVOM-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1cccc(-c2nn[n-]n2)n1 ZINC001593291478 1349768353 /nfs/dbraw/zinc/76/83/53/1349768353.db2.gz RYKFUXZYYWPVOM-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC[C@H]1Cc1ccccc1 ZINC001593348713 1349788532 /nfs/dbraw/zinc/78/85/32/1349788532.db2.gz MXAFJQYRUZIBTO-HNNXBMFYSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC[C@H]1Cc1ccccc1 ZINC001593348713 1349788536 /nfs/dbraw/zinc/78/85/36/1349788536.db2.gz MXAFJQYRUZIBTO-HNNXBMFYSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@H](Cc2ccncc2)C1 ZINC001593360944 1349791095 /nfs/dbraw/zinc/79/10/95/1349791095.db2.gz MEQYHVJKYMKOBF-GFCCVEGCSA-N -1 1 340.412 2.028 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@H](Cc2ccncc2)C1 ZINC001593360944 1349791098 /nfs/dbraw/zinc/79/10/98/1349791098.db2.gz MEQYHVJKYMKOBF-GFCCVEGCSA-N -1 1 340.412 2.028 20 0 EEADMM O=c1[nH]c(CSc2cccnc2-c2nnn[n-]2)nc2ccccc21 ZINC001593488395 1349816296 /nfs/dbraw/zinc/81/62/96/1349816296.db2.gz LBNOUTIMMRZOLD-UHFFFAOYSA-N -1 1 337.368 2.203 20 0 EEADMM O=c1[nH]c(CSc2cccnc2-c2nn[n-]n2)nc2ccccc21 ZINC001593488395 1349816298 /nfs/dbraw/zinc/81/62/98/1349816298.db2.gz LBNOUTIMMRZOLD-UHFFFAOYSA-N -1 1 337.368 2.203 20 0 EEADMM OC1(CCCNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCC1 ZINC001593510710 1349825746 /nfs/dbraw/zinc/82/57/46/1349825746.db2.gz MEYXVFCSQWOYND-UHFFFAOYSA-N -1 1 342.325 2.388 20 0 EEADMM OC1(CCCNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCC1 ZINC001593510710 1349825751 /nfs/dbraw/zinc/82/57/51/1349825751.db2.gz MEYXVFCSQWOYND-UHFFFAOYSA-N -1 1 342.325 2.388 20 0 EEADMM OC[C@H](CC1CCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593519991 1349829547 /nfs/dbraw/zinc/82/95/47/1349829547.db2.gz BXHOEFLXRVTIED-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM OC[C@H](CC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593519991 1349829553 /nfs/dbraw/zinc/82/95/53/1349829553.db2.gz BXHOEFLXRVTIED-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM OCCC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001593530157 1349833169 /nfs/dbraw/zinc/83/31/69/1349833169.db2.gz VFQGZPJNMZZFKF-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM OCCC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001593530157 1349833174 /nfs/dbraw/zinc/83/31/74/1349833174.db2.gz VFQGZPJNMZZFKF-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@@]2(CCSC2)C1 ZINC001593544010 1349839271 /nfs/dbraw/zinc/83/92/71/1349839271.db2.gz OKTRVTOYRZIZIB-MRXNPFEDSA-N -1 1 343.460 2.258 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@@]2(CCSC2)C1 ZINC001593544010 1349839278 /nfs/dbraw/zinc/83/92/78/1349839278.db2.gz OKTRVTOYRZIZIB-MRXNPFEDSA-N -1 1 343.460 2.258 20 0 EEADMM c1ccc(C(Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC001593570528 1349856117 /nfs/dbraw/zinc/85/61/17/1349856117.db2.gz FAKCINKMMZJVBU-UHFFFAOYSA-N -1 1 329.367 2.280 20 0 EEADMM c1ccc2c(c1)COC[C@@H]2Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593579609 1349860800 /nfs/dbraw/zinc/86/08/00/1349860800.db2.gz LLFVJCADYDCPPG-HNNXBMFYSA-N -1 1 345.366 2.493 20 0 EEADMM c1ccc2c(c1)COC[C@@H]2Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593579609 1349860805 /nfs/dbraw/zinc/86/08/05/1349860805.db2.gz LLFVJCADYDCPPG-HNNXBMFYSA-N -1 1 345.366 2.493 20 0 EEADMM c1ccc2c(c1)CC[C@H]2c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593581858 1349863431 /nfs/dbraw/zinc/86/34/31/1349863431.db2.gz XQLSLHLXERSKSH-CYBMUJFWSA-N -1 1 331.339 2.390 20 0 EEADMM c1ccc2c(c1)CC[C@H]2c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593581858 1349863434 /nfs/dbraw/zinc/86/34/34/1349863434.db2.gz XQLSLHLXERSKSH-CYBMUJFWSA-N -1 1 331.339 2.390 20 0 EEADMM c1cncc(COc2cccc(Nc3cnc(-c4nnn[n-]4)cn3)c2)c1 ZINC001593587991 1349866544 /nfs/dbraw/zinc/86/65/44/1349866544.db2.gz QYBAMYRDFNXYHB-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1cncc(COc2cccc(Nc3cnc(-c4nn[n-]n4)cn3)c2)c1 ZINC001593587991 1349866547 /nfs/dbraw/zinc/86/65/47/1349866547.db2.gz QYBAMYRDFNXYHB-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM CCc1cc2c(C[NH2+][C@H](CC(=O)[O-])C3CC3)cc(=O)oc2cc1[O-] ZINC001597488574 1349925603 /nfs/dbraw/zinc/92/56/03/1349925603.db2.gz HDZXUQHLZBUIDU-CQSZACIVSA-N -1 1 331.368 2.404 20 0 EEADMM Cc1cc(C)c(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001600163851 1349983376 /nfs/dbraw/zinc/98/33/76/1349983376.db2.gz XBOQWDJPWNQNAK-UHFFFAOYSA-N -1 1 335.385 2.209 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001600186075 1349988239 /nfs/dbraw/zinc/98/82/39/1349988239.db2.gz PLPWNSBTTHOEAN-CQSZACIVSA-N -1 1 325.320 2.342 20 0 EEADMM Cc1cc(CNCc2n[nH]c(C(C)(C)C)n2)cc(C)c1OCC(=O)[O-] ZINC001600209684 1349993342 /nfs/dbraw/zinc/99/33/42/1349993342.db2.gz QYOKLJLLHOZFGE-UHFFFAOYSA-N -1 1 346.431 2.472 20 0 EEADMM Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])nn1-c1ccccc1 ZINC001600281520 1350010208 /nfs/dbraw/zinc/01/02/08/1350010208.db2.gz DESZZXVDESTGJX-UHFFFAOYSA-N -1 1 337.401 2.033 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)NC(C)(C)c1cnn(C)c1 ZINC001600353006 1350027128 /nfs/dbraw/zinc/02/71/28/1350027128.db2.gz QQPGRXWXLFMGLI-LBPRGKRZSA-N -1 1 344.415 2.279 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C1CC1)C1(CO)CCC1 ZINC001600355603 1350027663 /nfs/dbraw/zinc/02/76/63/1350027663.db2.gz ZNAKZXUIUHNOIO-UHFFFAOYSA-N -1 1 332.400 2.011 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H]2OCCC[C@H]2C1 ZINC001600357087 1350028818 /nfs/dbraw/zinc/02/88/18/1350028818.db2.gz ROLUONNQHSDKNA-GOEBONIOSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc([C@H](CNCc2cc(C(=O)[O-])c(C)o2)N2CCOCC2)o1 ZINC001600377689 1350034529 /nfs/dbraw/zinc/03/45/29/1350034529.db2.gz ZUOZLWPLLPXTPC-INIZCTEOSA-N -1 1 348.399 2.351 20 0 EEADMM Cc1ccc(CSc2n[nH]c(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001600422169 1350047913 /nfs/dbraw/zinc/04/79/13/1350047913.db2.gz BZHOLWZRFPQKLI-TXEJJXNPSA-N -1 1 346.412 2.455 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC001600488605 1350063968 /nfs/dbraw/zinc/06/39/68/1350063968.db2.gz AEVOOSACRNYXPB-KRWDZBQOSA-N -1 1 330.388 2.268 20 0 EEADMM Cc1cnc2c(cccc2S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC001600624463 1350100743 /nfs/dbraw/zinc/10/07/43/1350100743.db2.gz CSXNWKMWTFNFFP-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1ncc(CNC(=O)CCN2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC001600735975 1350124510 /nfs/dbraw/zinc/12/45/10/1350124510.db2.gz LMPUASYETYEDEK-UHFFFAOYSA-N -1 1 345.424 2.172 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[nH]1 ZINC001600799026 1350140012 /nfs/dbraw/zinc/14/00/12/1350140012.db2.gz FCXRXLJYNBXMNH-UHFFFAOYSA-N -1 1 338.364 2.000 20 0 EEADMM Cc1oc(CONC(=N)[C@H]2COc3ccccc3O2)cc1C(=O)[O-] ZINC001600856052 1350153493 /nfs/dbraw/zinc/15/34/93/1350153493.db2.gz LESKFZYLHBHBBM-CQSZACIVSA-N -1 1 332.312 2.125 20 0 EEADMM N[C@@H](C(=O)NCc1ccoc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001601172570 1350224789 /nfs/dbraw/zinc/22/47/89/1350224789.db2.gz VUUOJZLBFYNLDW-LLVKDONJSA-N -1 1 342.273 2.313 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1F ZINC001601399738 1350274629 /nfs/dbraw/zinc/27/46/29/1350274629.db2.gz OIKFHRJGKQRUHR-CQSZACIVSA-N -1 1 340.314 2.167 20 0 EEADMM O=C([O-])c1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)no1 ZINC001601418216 1350280011 /nfs/dbraw/zinc/28/00/11/1350280011.db2.gz OXXBVSBXPMMASJ-OAHLLOKOSA-N -1 1 343.383 2.330 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3scc4c3OCCO4)[nH]c21 ZINC001601632236 1350324557 /nfs/dbraw/zinc/32/45/57/1350324557.db2.gz WZLPAOJFPMFSMM-UHFFFAOYSA-N -1 1 345.336 2.346 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cn3ccccc3n2)[C@@H]([C@@H]2CCCO2)C1 ZINC001601828476 1350375103 /nfs/dbraw/zinc/37/51/03/1350375103.db2.gz ZURKZWCXLHKFMF-BMFZPTHFSA-N -1 1 329.400 2.179 20 0 EEADMM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cccc2[nH]cnc21 ZINC001601871960 1350386671 /nfs/dbraw/zinc/38/66/71/1350386671.db2.gz FSKKMQZRYVZNFI-INIZCTEOSA-N -1 1 337.335 2.223 20 0 EEADMM O=C([O-])/C=C/c1ccc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001601874462 1350387045 /nfs/dbraw/zinc/38/70/45/1350387045.db2.gz QKCQQBBIXONEHX-HEWZJLJBSA-N -1 1 340.379 2.034 20 0 EEADMM O=C([O-])/C=C\c1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)o1 ZINC001601879690 1350388549 /nfs/dbraw/zinc/38/85/49/1350388549.db2.gz UFJAPDYFFNCPNT-YXVBKTCISA-N -1 1 332.400 2.401 20 0 EEADMM O=C([O-])CCc1ccc(NS(=O)(=O)c2cccc3c2OCC3)cc1 ZINC001602041006 1350424775 /nfs/dbraw/zinc/42/47/75/1350424775.db2.gz QANZLXRSJAPXGC-UHFFFAOYSA-N -1 1 347.392 2.440 20 0 EEADMM O=C([O-])COc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1 ZINC001602081456 1350432326 /nfs/dbraw/zinc/43/23/26/1350432326.db2.gz QYZMSIXGJFBWBS-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1F ZINC001602126111 1350445458 /nfs/dbraw/zinc/44/54/58/1350445458.db2.gz COUZBVWYLBUCJM-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])c1cc(CNCCc2nc(-c3ccccn3)cs2)on1 ZINC001602260247 1350480507 /nfs/dbraw/zinc/48/05/07/1350480507.db2.gz RDZQVQLAODWMBD-UHFFFAOYSA-N -1 1 330.369 2.224 20 0 EEADMM O=C([O-])c1cc(CNCCS(=O)(=O)Cc2ccccc2)cs1 ZINC001602260025 1350480711 /nfs/dbraw/zinc/48/07/11/1350480711.db2.gz JIJJATAFIVEKJG-UHFFFAOYSA-N -1 1 339.438 2.151 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@H]1CCN1C1CCCC1)CC2 ZINC001602366012 1350504731 /nfs/dbraw/zinc/50/47/31/1350504731.db2.gz MJPFCMGUXDBAII-QGZVFWFLSA-N -1 1 346.402 2.426 20 0 EEADMM O=C([O-])c1ccccc1CCNCc1cn(Cc2ccccc2)nn1 ZINC001602466781 1350525642 /nfs/dbraw/zinc/52/56/42/1350525642.db2.gz OZOXCFOSWQVRKH-UHFFFAOYSA-N -1 1 336.395 2.357 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC001602526448 1350538989 /nfs/dbraw/zinc/53/89/89/1350538989.db2.gz MOVQCCSFBXVPBW-CYBMUJFWSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cn1 ZINC001602526448 1350538991 /nfs/dbraw/zinc/53/89/91/1350538991.db2.gz MOVQCCSFBXVPBW-CYBMUJFWSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC001602537949 1350541198 /nfs/dbraw/zinc/54/11/98/1350541198.db2.gz GSRAOAJBFWDKPL-UHFFFAOYSA-N -1 1 331.416 2.004 20 0 EEADMM O=C([O-])[C@@H](c1cccnc1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001602636257 1350563243 /nfs/dbraw/zinc/56/32/43/1350563243.db2.gz YHQXHDVTWLLMBL-IEBWSBKVSA-N -1 1 338.363 2.317 20 0 EEADMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603271654 1350676566 /nfs/dbraw/zinc/67/65/66/1350676566.db2.gz ZKVOWNWHIOWMIG-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603271654 1350676567 /nfs/dbraw/zinc/67/65/67/1350676567.db2.gz ZKVOWNWHIOWMIG-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603642037 1350732956 /nfs/dbraw/zinc/73/29/56/1350732956.db2.gz RRTVZTPCWGLFBB-BBCYWQGDSA-N -1 1 326.404 2.206 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603642037 1350732960 /nfs/dbraw/zinc/73/29/60/1350732960.db2.gz RRTVZTPCWGLFBB-BBCYWQGDSA-N -1 1 326.404 2.206 20 0 EEADMM CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603771206 1350762121 /nfs/dbraw/zinc/76/21/21/1350762121.db2.gz XSAHTHXDAWKMTO-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CC1(C)CCC(C)(C)N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603771206 1350762124 /nfs/dbraw/zinc/76/21/24/1350762124.db2.gz XSAHTHXDAWKMTO-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CC1(C)CCC[C@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)O1 ZINC001603773401 1350764199 /nfs/dbraw/zinc/76/41/99/1350764199.db2.gz CVWUNYVQGYGYPY-SNVBAGLBSA-N -1 1 333.367 2.083 20 0 EEADMM CC1(C)CCC[C@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)O1 ZINC001603773401 1350764202 /nfs/dbraw/zinc/76/42/02/1350764202.db2.gz CVWUNYVQGYGYPY-SNVBAGLBSA-N -1 1 333.367 2.083 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603844475 1350779766 /nfs/dbraw/zinc/77/97/66/1350779766.db2.gz FMTIXXWSSIDGRP-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603844475 1350779772 /nfs/dbraw/zinc/77/97/72/1350779772.db2.gz FMTIXXWSSIDGRP-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603878050 1350789863 /nfs/dbraw/zinc/78/98/63/1350789863.db2.gz GWRVVLLTTMDLIH-SSDOTTSWSA-N -1 1 342.737 2.175 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001603885041 1350792072 /nfs/dbraw/zinc/79/20/72/1350792072.db2.gz VRBOSSQRSWLXCU-GHMZBOCLSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603891842 1350795830 /nfs/dbraw/zinc/79/58/30/1350795830.db2.gz VCCONPQIFLFKKS-ONGXEEELSA-N -1 1 345.407 2.001 20 0 EEADMM C[C@H]1Cc2cccc(F)c2N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603952578 1350812408 /nfs/dbraw/zinc/81/24/08/1350812408.db2.gz KSZVYALEQLDKTD-JTQLQIEISA-N -1 1 338.346 2.240 20 0 EEADMM C[C@H]1Cc2cccc(F)c2N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603952578 1350812413 /nfs/dbraw/zinc/81/24/13/1350812413.db2.gz KSZVYALEQLDKTD-JTQLQIEISA-N -1 1 338.346 2.240 20 0 EEADMM CC[C@@H](C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001603992023 1350823065 /nfs/dbraw/zinc/82/30/65/1350823065.db2.gz FVCZPWORFFNLLD-MFAVDMRSSA-N -1 1 349.464 2.079 20 0 EEADMM CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604100995 1350856941 /nfs/dbraw/zinc/85/69/41/1350856941.db2.gz PIDLQTNRNDMPGO-DZGCQCFKSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604100995 1350856946 /nfs/dbraw/zinc/85/69/46/1350856946.db2.gz PIDLQTNRNDMPGO-DZGCQCFKSA-N -1 1 328.420 2.231 20 0 EEADMM CCC[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001604151859 1350875351 /nfs/dbraw/zinc/87/53/51/1350875351.db2.gz AAESFNXIOSEOOX-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CCC[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001604151859 1350875358 /nfs/dbraw/zinc/87/53/58/1350875358.db2.gz AAESFNXIOSEOOX-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CCCCOCCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001604188141 1350889309 /nfs/dbraw/zinc/88/93/09/1350889309.db2.gz JFNAHUFKQAMRIQ-UHFFFAOYSA-N -1 1 341.213 2.253 20 0 EEADMM CCCCOCCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001604188141 1350889312 /nfs/dbraw/zinc/88/93/12/1350889312.db2.gz JFNAHUFKQAMRIQ-UHFFFAOYSA-N -1 1 341.213 2.253 20 0 EEADMM CCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1OC ZINC001604263871 1350905110 /nfs/dbraw/zinc/90/51/10/1350905110.db2.gz NSDALTZVSPUHEM-UHFFFAOYSA-N -1 1 327.344 2.443 20 0 EEADMM CCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1OC ZINC001604263871 1350905114 /nfs/dbraw/zinc/90/51/14/1350905114.db2.gz NSDALTZVSPUHEM-UHFFFAOYSA-N -1 1 327.344 2.443 20 0 EEADMM C[C@@H](NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccc2ccccc21 ZINC001604272598 1350906815 /nfs/dbraw/zinc/90/68/15/1350906815.db2.gz COBAQHYLUVWFBK-JOCQJMSRSA-N -1 1 338.407 2.279 20 0 EEADMM CCN(Cc1ccoc1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604325502 1350916000 /nfs/dbraw/zinc/91/60/00/1350916000.db2.gz VNPUQUBBWSOOLP-UHFFFAOYSA-N -1 1 333.377 2.279 20 0 EEADMM CCN(Cc1ccoc1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604325502 1350916001 /nfs/dbraw/zinc/91/60/01/1350916001.db2.gz VNPUQUBBWSOOLP-UHFFFAOYSA-N -1 1 333.377 2.279 20 0 EEADMM CCN1C(=O)CCc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc21 ZINC001604334739 1350918298 /nfs/dbraw/zinc/91/82/98/1350918298.db2.gz JAVWNLBQZHOUSB-UHFFFAOYSA-N -1 1 338.371 2.371 20 0 EEADMM CCN1C(=O)CCc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc21 ZINC001604334739 1350918302 /nfs/dbraw/zinc/91/83/02/1350918302.db2.gz 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342.384 2.374 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OC(C)C)cc2)c1 ZINC001605511066 1351175525 /nfs/dbraw/zinc/17/55/25/1351175525.db2.gz UNYZOBVYHUTIFT-UHFFFAOYSA-N -1 1 325.372 2.172 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2cn(C)c3ccccc23)n1 ZINC001605580912 1351193939 /nfs/dbraw/zinc/19/39/39/1351193939.db2.gz RJZYYUIIPXEUHX-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2cn(C)c3ccccc23)n1 ZINC001605580912 1351193945 /nfs/dbraw/zinc/19/39/45/1351193945.db2.gz RJZYYUIIPXEUHX-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM CCO[C@@H]1C[C@](NC(=O)c2cccc3nc(C)[nH]c32)(C(=O)[O-])C1(C)C ZINC001605609188 1351200734 /nfs/dbraw/zinc/20/07/34/1351200734.db2.gz UIJMBWIBXXAHOX-ACJLOTCBSA-N -1 1 345.399 2.260 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC001605819296 1351228200 /nfs/dbraw/zinc/22/82/00/1351228200.db2.gz VGBFXAKNECFPRW-RCBQFDQVSA-N -1 1 334.416 2.188 20 0 EEADMM Cc1ccc(C2=CCN(C(=O)c3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001605832510 1351231667 /nfs/dbraw/zinc/23/16/67/1351231667.db2.gz UYZSYKMHWJNFOT-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1ccc(C2=CCN(C(=O)c3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001605832510 1351231668 /nfs/dbraw/zinc/23/16/68/1351231668.db2.gz UYZSYKMHWJNFOT-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)n1 ZINC001605871688 1351242672 /nfs/dbraw/zinc/24/26/72/1351242672.db2.gz IAYCPRGKMQFNRC-LBPRGKRZSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1ccc(N[C@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)n1 ZINC001605871688 1351242676 /nfs/dbraw/zinc/24/26/76/1351242676.db2.gz IAYCPRGKMQFNRC-LBPRGKRZSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1n[nH]cc1-c1ccccc1 ZINC001606169141 1351281209 /nfs/dbraw/zinc/28/12/09/1351281209.db2.gz OUYMXDGDJLJRFG-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1n[nH]cc1-c1ccccc1 ZINC001606169141 1351281215 /nfs/dbraw/zinc/28/12/15/1351281215.db2.gz OUYMXDGDJLJRFG-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM O=C(C=Cc1ccsc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606487135 1351310500 /nfs/dbraw/zinc/31/05/00/1351310500.db2.gz GXNBWIYNQBQBIW-UTCJRWHESA-N -1 1 338.396 2.316 20 0 EEADMM O=C(C=Cc1ccsc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606487135 1351310504 /nfs/dbraw/zinc/31/05/04/1351310504.db2.gz GXNBWIYNQBQBIW-UTCJRWHESA-N -1 1 338.396 2.316 20 0 EEADMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606498864 1351312610 /nfs/dbraw/zinc/31/26/10/1351312610.db2.gz QBCFLSMTXPKUHU-HTQZYQBOSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCc2cccc(Cl)c21 ZINC001606594856 1351328754 /nfs/dbraw/zinc/32/87/54/1351328754.db2.gz OJUZYYWANQDCJG-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCc2cccc(Cl)c21 ZINC001606594856 1351328759 /nfs/dbraw/zinc/32/87/59/1351328759.db2.gz OJUZYYWANQDCJG-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCOC3(CCCC3)C2)c1 ZINC001606612735 1351332021 /nfs/dbraw/zinc/33/20/21/1351332021.db2.gz KRMYUHCXFHUKDG-HNNXBMFYSA-N -1 1 333.384 2.244 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001606646414 1351336693 /nfs/dbraw/zinc/33/66/93/1351336693.db2.gz CHRQLSXWZHFCNL-VHDGCEQUSA-N -1 1 337.408 2.386 20 0 EEADMM O=C(N[C@H]1CCCOc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606670084 1351340079 /nfs/dbraw/zinc/34/00/79/1351340079.db2.gz JZQFRFPBKCWOJG-LBPRGKRZSA-N -1 1 325.328 2.103 20 0 EEADMM O=C(N[C@H]1CCCOc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606670084 1351340082 /nfs/dbraw/zinc/34/00/82/1351340082.db2.gz JZQFRFPBKCWOJG-LBPRGKRZSA-N -1 1 325.328 2.103 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccsc1-c1nnn[n-]1 ZINC001606695342 1351343611 /nfs/dbraw/zinc/34/36/11/1351343611.db2.gz CEYKHRIVSMAAPI-CMPLNLGQSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccsc1-c1nn[n-]n1 ZINC001606695342 1351343616 /nfs/dbraw/zinc/34/36/16/1351343616.db2.gz CEYKHRIVSMAAPI-CMPLNLGQSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCc2ccccc2CC1 ZINC001606944620 1351381254 /nfs/dbraw/zinc/38/12/54/1351381254.db2.gz YLCBPKIGWJZIKH-UHFFFAOYSA-N -1 1 349.398 2.285 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCc2ccccc2CC1 ZINC001606944620 1351381257 /nfs/dbraw/zinc/38/12/57/1351381257.db2.gz YLCBPKIGWJZIKH-UHFFFAOYSA-N -1 1 349.398 2.285 20 0 EEADMM O=C([O-])CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001606960782 1351385290 /nfs/dbraw/zinc/38/52/90/1351385290.db2.gz MHANVDXEXJDCDR-RYUDHWBXSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1ncsc1C1CC1 ZINC001606985153 1351393055 /nfs/dbraw/zinc/39/30/55/1351393055.db2.gz JYGWMZYGIXMXBV-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1ncsc1C1CC1 ZINC001606985153 1351393059 /nfs/dbraw/zinc/39/30/59/1351393059.db2.gz JYGWMZYGIXMXBV-UHFFFAOYSA-N -1 1 334.386 2.014 20 0 EEADMM O=C(O[C@H](c1ccccc1)C(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606987795 1351393444 /nfs/dbraw/zinc/39/34/44/1351393444.db2.gz 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O=C(NCCCCc1c[nH]nn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001578008843 1403709199 /nfs/dbraw/zinc/70/91/99/1403709199.db2.gz HOTNDCAKSUXTIA-UHFFFAOYSA-N -1 1 328.294 2.282 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001578423264 1403751969 /nfs/dbraw/zinc/75/19/69/1403751969.db2.gz MZEXJXQSLPUGQS-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001578423264 1403751975 /nfs/dbraw/zinc/75/19/75/1403751975.db2.gz MZEXJXQSLPUGQS-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM COc1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC001580050461 1403814403 /nfs/dbraw/zinc/81/44/03/1403814403.db2.gz VXZRTOOWOSDJFI-UHFFFAOYSA-N -1 1 345.366 2.339 20 0 EEADMM COc1ccc2c(c1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC001580050461 1403814406 /nfs/dbraw/zinc/81/44/06/1403814406.db2.gz VXZRTOOWOSDJFI-UHFFFAOYSA-N -1 1 345.366 2.339 20 0 EEADMM COc1ncc(NC(=O)c2ccc3c(c2)CCC3)cc1-c1nn[n-]n1 ZINC001580140156 1403833512 /nfs/dbraw/zinc/83/35/12/1403833512.db2.gz UWZWWUIPUVJXPP-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581204848 1403877784 /nfs/dbraw/zinc/87/77/84/1403877784.db2.gz ZNUJVAXJDAJBEB-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581204848 1403877792 /nfs/dbraw/zinc/87/77/92/1403877792.db2.gz ZNUJVAXJDAJBEB-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM CSCc1cc(F)ccc1CNc1ncncc1-c1nn[n-]n1 ZINC001591699975 1403941831 /nfs/dbraw/zinc/94/18/31/1403941831.db2.gz MVWPTLJQXIACGA-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)Cc1ccccc1F ZINC001592498950 1404703345 /nfs/dbraw/zinc/70/33/45/1404703345.db2.gz HICURTYDWIIAHW-VIFPVBQESA-N -1 1 329.335 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)Cc1ccccc1F ZINC001592498950 1404703347 /nfs/dbraw/zinc/70/33/47/1404703347.db2.gz HICURTYDWIIAHW-VIFPVBQESA-N -1 1 329.335 2.268 20 0 EEADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592907500 1404726504 /nfs/dbraw/zinc/72/65/04/1404726504.db2.gz IBOWKRJTVMSCEQ-KGLIPLIRSA-N -1 1 334.383 2.469 20 0 EEADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592907500 1404726512 /nfs/dbraw/zinc/72/65/12/1404726512.db2.gz IBOWKRJTVMSCEQ-KGLIPLIRSA-N -1 1 334.383 2.469 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2ccccc2)C1 ZINC001592913429 1404729929 /nfs/dbraw/zinc/72/99/29/1404729929.db2.gz HJJVDRPKOJNNBZ-INIZCTEOSA-N -1 1 348.410 2.210 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2ccccc2)C1 ZINC001592913429 1404729937 /nfs/dbraw/zinc/72/99/37/1404729937.db2.gz HJJVDRPKOJNNBZ-INIZCTEOSA-N -1 1 348.410 2.210 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(Cc2ccco2)Cc2cccnc2)n1 ZINC001606019207 1404756672 /nfs/dbraw/zinc/75/66/72/1404756672.db2.gz BFMHTXUXBODLHG-UHFFFAOYSA-N -1 1 348.370 2.160 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(Cc2ccco2)Cc2cccnc2)n1 ZINC001606019207 1404756677 /nfs/dbraw/zinc/75/66/77/1404756677.db2.gz BFMHTXUXBODLHG-UHFFFAOYSA-N -1 1 348.370 2.160 20 0 EEADMM Cc1nsc(NC(=O)Cc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC001606149162 1404769335 /nfs/dbraw/zinc/76/93/35/1404769335.db2.gz HCDLFLCEQHUCTH-UHFFFAOYSA-N -1 1 336.327 2.091 20 0 EEADMM Cc1nsc(NC(=O)Cc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC001606149162 1404769338 /nfs/dbraw/zinc/76/93/38/1404769338.db2.gz HCDLFLCEQHUCTH-UHFFFAOYSA-N -1 1 336.327 2.091 20 0 EEADMM Cc1nsc(NCc2nccn2CC(F)(F)F)c1-c1nn[n-]n1 ZINC001606162890 1404771573 /nfs/dbraw/zinc/77/15/73/1404771573.db2.gz QVOUGCKFRPKQNT-UHFFFAOYSA-N -1 1 344.326 2.003 20 0 EEADMM CCC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1nn[n-]n1 ZINC000176758050 1405759065 /nfs/dbraw/zinc/75/90/65/1405759065.db2.gz VEHRQRBKGOVWAG-JTQLQIEISA-N -1 1 348.432 2.189 20 0 EEADMM CCCCCCC(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001756160165 1408188526 /nfs/dbraw/zinc/18/85/26/1408188526.db2.gz PEKQKIZQEDQZIW-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC/C(C)=C/C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001756229827 1408238496 /nfs/dbraw/zinc/23/84/96/1408238496.db2.gz AHRKISQGTVKOQB-XMNZZIDVSA-N -1 1 331.416 2.301 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC001756766802 1409299542 /nfs/dbraw/zinc/29/95/42/1409299542.db2.gz OFNLPYGAIDIGPN-NSIKDUERSA-N -1 1 341.411 2.198 20 0 EEADMM C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000319662702 1409852757 /nfs/dbraw/zinc/85/27/57/1409852757.db2.gz GVKAAQWYIMZVSR-NSHDSACASA-N -1 1 335.381 2.312 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC(C)(C)C1 ZINC001772172964 1410076352 /nfs/dbraw/zinc/07/63/52/1410076352.db2.gz JHHSUAUSILJJIN-UHFFFAOYSA-N -1 1 328.420 2.482 20 0 EEADMM COc1cccc(-n2cc(NC(=O)c3ccc(OC)cc3[O-])nn2)c1 ZINC001143453310 761067985 /nfs/dbraw/zinc/06/79/85/761067985.db2.gz ZDZKXAUBVZGMIY-UHFFFAOYSA-N -1 1 340.339 2.242 20 0 EEADMM C[C@H](CNc1ncnc2ccccc21)N(C)C(=O)c1ncccc1[O-] ZINC001104536319 761713800 /nfs/dbraw/zinc/71/38/00/761713800.db2.gz MIWYQWFZOXZTAY-GFCCVEGCSA-N -1 1 337.383 2.303 20 0 EEADMM Cc1cc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001104536721 761715504 /nfs/dbraw/zinc/71/55/04/761715504.db2.gz UODXXVWRXCZUAO-LBPRGKRZSA-N -1 1 341.415 2.336 20 0 EEADMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(O)cc1[O-] ZINC000918612929 769249889 /nfs/dbraw/zinc/24/98/89/769249889.db2.gz OSGIZCHHRNTZEF-UHFFFAOYSA-N -1 1 340.335 2.394 20 0 EEADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000033598558 769283124 /nfs/dbraw/zinc/28/31/24/769283124.db2.gz ZNAWLWXCYMCVSZ-UHFFFAOYSA-N -1 1 332.230 2.285 20 0 EEADMM Cc1cnn(CCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000919638854 770118908 /nfs/dbraw/zinc/11/89/08/770118908.db2.gz DNVROTDZMRWLAO-UHFFFAOYSA-N -1 1 328.324 2.137 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2CN(Cc3ccc(C(C)C)cc3)C2)c1[O-] ZINC001031617855 770284139 /nfs/dbraw/zinc/28/41/39/770284139.db2.gz RZHHHUREIJXJJJ-UHFFFAOYSA-N -1 1 342.443 2.409 20 0 EEADMM O=C(c1ccccn1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920445463 770707794 /nfs/dbraw/zinc/70/77/94/770707794.db2.gz GTGDTYIYUMCTID-UHFFFAOYSA-N -1 1 345.786 2.039 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2cccc(Cl)c2)c1[O-] ZINC001027832794 770984208 /nfs/dbraw/zinc/98/42/08/770984208.db2.gz JFWRYSRAKQWEOD-CQSZACIVSA-N -1 1 348.834 2.472 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979943415 773592823 /nfs/dbraw/zinc/59/28/23/773592823.db2.gz VRGWLKNWIIQLMR-IHRRRGAJSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccsc1C(=O)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088251817 783213189 /nfs/dbraw/zinc/21/31/89/783213189.db2.gz BIUGWHJZOUUXAK-GFCCVEGCSA-N -1 1 349.460 2.055 20 0 EEADMM O=C(NC[C@H]1CCC[N@@H+]1C/C=C\Cl)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027956086 775015213 /nfs/dbraw/zinc/01/52/13/775015213.db2.gz OACFDFKQTHJBGW-DBGMKRSLSA-N -1 1 336.823 2.006 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000939134570 775624780 /nfs/dbraw/zinc/62/47/80/775624780.db2.gz FRQZMNGGDBLIBO-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](CNc1c2ccccc2nnc1C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000846777132 790538144 /nfs/dbraw/zinc/53/81/44/790538144.db2.gz GEQDCDYDUQIPNT-UPJWGTAASA-N -1 1 344.415 2.238 20 0 EEADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063320549 790697071 /nfs/dbraw/zinc/69/70/71/790697071.db2.gz HDHSREDHGFWATC-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832963 779378687 /nfs/dbraw/zinc/37/86/87/779378687.db2.gz RWVUNXXKVBMWFY-IFXJQAMLSA-N -1 1 345.443 2.144 20 0 EEADMM CC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCCC1 ZINC000941105981 779872840 /nfs/dbraw/zinc/87/28/40/779872840.db2.gz MEVQOTOVIUWKMJ-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM COCc1nc(NC[C@@H]2CCN(c3ccccc3F)C2)cc(=O)[n-]1 ZINC000893925556 780312053 /nfs/dbraw/zinc/31/20/53/780312053.db2.gz MBRMDQAXYXTCIA-LBPRGKRZSA-N -1 1 332.379 2.406 20 0 EEADMM CC(C)n1c(CCNC(=O)c2cnn(C)c2C(F)F)n[n-]c1=S ZINC000067074203 780518311 /nfs/dbraw/zinc/51/83/11/780518311.db2.gz WWUJDHSPFJERST-UHFFFAOYSA-N -1 1 344.391 2.165 20 0 EEADMM C[C@H](Oc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079654 780550528 /nfs/dbraw/zinc/55/05/28/780550528.db2.gz WWYXLXGZCCDXNR-NSHDSACASA-N -1 1 332.429 2.402 20 0 EEADMM CCC1(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001079068114 790849124 /nfs/dbraw/zinc/84/91/24/790849124.db2.gz CQAGNBAPTRDYNP-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM O=C([O-])c1cc(N2CCCN(Cc3ccc(F)cc3)CC2)ncn1 ZINC000906141792 783733986 /nfs/dbraw/zinc/73/39/86/783733986.db2.gz ZVUQDXVVWPKHPZ-UHFFFAOYSA-N -1 1 330.363 2.026 20 0 EEADMM C[C@@H](Nc1nccnc1F)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001061839719 783747016 /nfs/dbraw/zinc/74/70/16/783747016.db2.gz GZJCAHZHUCHVDI-LLVKDONJSA-N -1 1 345.378 2.069 20 0 EEADMM COc1ccc([C@H](C)CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907477911 784647083 /nfs/dbraw/zinc/64/70/83/784647083.db2.gz VUBQDPSGCLOJJU-RISCZKNCSA-N -1 1 347.444 2.019 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2C2(C)CC2)CC1 ZINC000907730368 784831481 /nfs/dbraw/zinc/83/14/81/784831481.db2.gz KEYNSXMTVNCQJF-CQSZACIVSA-N -1 1 330.428 2.359 20 0 EEADMM O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1ccc([O-])cn1 ZINC001136189831 785431474 /nfs/dbraw/zinc/43/14/74/785431474.db2.gz GUULIIKZOVDDAD-UHFFFAOYSA-N -1 1 348.362 2.365 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC000946114047 785540020 /nfs/dbraw/zinc/54/00/20/785540020.db2.gz VWTOJJSMXRGWKV-STQMWFEESA-N -1 1 343.383 2.017 20 0 EEADMM COC(=O)CSCCC(=O)Nc1cccc([O-])c1Br ZINC000908714499 785666752 /nfs/dbraw/zinc/66/67/52/785666752.db2.gz BWTXDILDKICOJM-UHFFFAOYSA-N -1 1 348.218 2.390 20 0 EEADMM CC(C)OCc1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000908764760 785710432 /nfs/dbraw/zinc/71/04/32/785710432.db2.gz XVUARSYVXULHEA-HNNXBMFYSA-N -1 1 334.416 2.347 20 0 EEADMM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CN2CCC(C)CC2)c1 ZINC000908857782 785797697 /nfs/dbraw/zinc/79/76/97/785797697.db2.gz UOGUPAGLDVFVOI-MRXNPFEDSA-N -1 1 334.416 2.059 20 0 EEADMM CC1(C)CN(C(=O)C2CCCCCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996043774 785974719 /nfs/dbraw/zinc/97/47/19/785974719.db2.gz YMLCUNMGJCIIBA-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM CN(CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C1CCC1 ZINC000909267420 786140707 /nfs/dbraw/zinc/14/07/07/786140707.db2.gz NRZQTBJLPMSIRN-UHFFFAOYSA-N -1 1 334.416 2.031 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000909729762 786204743 /nfs/dbraw/zinc/20/47/43/786204743.db2.gz ZPZPGIBJJHZURI-FGTMMUONSA-N -1 1 344.455 2.311 20 0 EEADMM CC[C@@](CNC(=O)CN1CCC(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000909846524 786301333 /nfs/dbraw/zinc/30/13/33/786301333.db2.gz SDSROBILRBGYME-IBGZPJMESA-N -1 1 332.444 2.267 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc3ccsc32)C1 ZINC000909874479 786308011 /nfs/dbraw/zinc/30/80/11/786308011.db2.gz QGKPWCSQYDWXFE-AWEZNQCLSA-N -1 1 332.425 2.314 20 0 EEADMM O=C(OCCN1C(=O)CCC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909863337 786318991 /nfs/dbraw/zinc/31/89/91/786318991.db2.gz QTJMVDDBKPSQED-UHFFFAOYSA-N -1 1 332.139 2.005 20 0 EEADMM C[C@@H]1N(C(=O)CN2CCC[C@H](C(=O)[O-])C2)c2ccccc2C1(C)C ZINC000909974755 786370022 /nfs/dbraw/zinc/37/00/22/786370022.db2.gz UZINJLWSRJOSES-KBPBESRZSA-N -1 1 330.428 2.496 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000910011412 786403454 /nfs/dbraw/zinc/40/34/54/786403454.db2.gz GMWGGACHZUVBCN-BBRMVZONSA-N -1 1 334.391 2.116 20 0 EEADMM Cc1cnc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])o1 ZINC001036539147 786605057 /nfs/dbraw/zinc/60/50/57/786605057.db2.gz BGEAMIQSJUZPQQ-GXTWGEPZSA-N -1 1 344.415 2.114 20 0 EEADMM O=C([O-])c1cn(C2CCN(c3ccncc3C(F)(F)F)CC2)nn1 ZINC000910313459 786643064 /nfs/dbraw/zinc/64/30/64/786643064.db2.gz GLLUFJDACGQCBI-UHFFFAOYSA-N -1 1 341.293 2.232 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000821322167 786679930 /nfs/dbraw/zinc/67/99/30/786679930.db2.gz LTBYSWARJRPBIP-GGOJBBCOSA-N -1 1 338.425 2.304 20 0 EEADMM O=C([O-])[C@@H](CC1CC1)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000910383023 786727266 /nfs/dbraw/zinc/72/72/66/786727266.db2.gz URORKQUPJZURKD-SJORKVTESA-N -1 1 330.428 2.411 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1COCCN1C1CCCC1 ZINC000910990167 787168641 /nfs/dbraw/zinc/16/86/41/787168641.db2.gz JZRMYCOLTKWOCS-AWEZNQCLSA-N -1 1 326.343 2.252 20 0 EEADMM CN1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911064558 787227761 /nfs/dbraw/zinc/22/77/61/787227761.db2.gz YZBYZDQMVSXWJR-NEPJUHHUSA-N -1 1 330.306 2.042 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000911094693 787239676 /nfs/dbraw/zinc/23/96/76/787239676.db2.gz GTEBDHGHGISUEQ-IAGOWNOFSA-N -1 1 348.443 2.449 20 0 EEADMM C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N1CCc2ccccc2C1 ZINC000911302975 787366131 /nfs/dbraw/zinc/36/61/31/787366131.db2.gz BGHZBVRDTJPNON-CQSZACIVSA-N -1 1 332.444 2.440 20 0 EEADMM O=C(CN1CCOC1=O)Nc1c([O-])cc(Br)cc1Cl ZINC000822885010 787433437 /nfs/dbraw/zinc/43/34/37/787433437.db2.gz CTHJXPKPVBVNTN-UHFFFAOYSA-N -1 1 349.568 2.199 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000911483799 787481111 /nfs/dbraw/zinc/48/11/11/787481111.db2.gz FGRJXVHCCGUSBL-AWEZNQCLSA-N -1 1 325.368 2.353 20 0 EEADMM CC/C(C)=C\C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062193005 787571687 /nfs/dbraw/zinc/57/16/87/787571687.db2.gz LRBNSAGKKKYWBT-YBEMTRGBSA-N -1 1 331.416 2.254 20 0 EEADMM CSCC[C@H](NC(=O)Cc1cccc(OC(C)C)c1)c1nn[n-]n1 ZINC000912859993 788417475 /nfs/dbraw/zinc/41/74/75/788417475.db2.gz GUAZIMKBTWLFMD-AWEZNQCLSA-N -1 1 349.460 2.140 20 0 EEADMM CC[C@@H](C)[C@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CC1 ZINC000825059272 788423515 /nfs/dbraw/zinc/42/35/15/788423515.db2.gz DSYUCUXDDRLQAN-ZJUUUORDSA-N -1 1 332.408 2.131 20 0 EEADMM CC[C@@H](C)[C@H](C)N(C(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CC1 ZINC000825059272 788423522 /nfs/dbraw/zinc/42/35/22/788423522.db2.gz DSYUCUXDDRLQAN-ZJUUUORDSA-N -1 1 332.408 2.131 20 0 EEADMM COC[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843874868 788706945 /nfs/dbraw/zinc/70/69/45/788706945.db2.gz BMGBESAPDLEKFH-SSDOTTSWSA-N -1 1 328.142 2.209 20 0 EEADMM CC(C)(C)c1nc(CNc2c3ccccc3nnc2C(=O)[O-])n[nH]1 ZINC000844216784 788935469 /nfs/dbraw/zinc/93/54/69/788935469.db2.gz VYVVDUIESSYJTM-UHFFFAOYSA-N -1 1 326.360 2.356 20 0 EEADMM CCC[C@@H](C(=O)N1CCOC[C@@H]1c1nn[n-]n1)c1cccc(Cl)c1 ZINC000913499418 788950380 /nfs/dbraw/zinc/95/03/80/788950380.db2.gz PKMGLKVELCIZKZ-ZIAGYGMSSA-N -1 1 349.822 2.337 20 0 EEADMM C[C@H](NC(=O)C1=CCCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005977262 789085221 /nfs/dbraw/zinc/08/52/21/789085221.db2.gz UVTWZRQBFQACOW-ZDUSSCGKSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1nc(NC(=O)[C@@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc1C ZINC000923529501 789725839 /nfs/dbraw/zinc/72/58/39/789725839.db2.gz OHUMQNJDSUYZBN-JIMOISOXSA-N -1 1 337.445 2.130 20 0 EEADMM O=C(CC1CCCC1)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062838939 789938165 /nfs/dbraw/zinc/93/81/65/789938165.db2.gz ATTGTVAVHRFOAJ-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])co1 ZINC000946187937 790029675 /nfs/dbraw/zinc/02/96/75/790029675.db2.gz YQXNFISDFUOGDD-GXTWGEPZSA-N -1 1 343.383 2.017 20 0 EEADMM COc1ccc([C@@H](O)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001144771748 790125019 /nfs/dbraw/zinc/12/50/19/790125019.db2.gz IKMUSZGIAWVKBQ-QGZVFWFLSA-N -1 1 339.351 2.259 20 0 EEADMM COc1cc(C(=O)[N-]c2nccnc2OCc2ccccc2)on1 ZINC001146931798 791579564 /nfs/dbraw/zinc/57/95/64/791579564.db2.gz FRJCYCFYLFGOEC-UHFFFAOYSA-N -1 1 326.312 2.305 20 0 EEADMM Cc1oc(-c2ccccc2)nc1C(=O)NCCCC[P@](=O)([O-])O ZINC001147323227 791784400 /nfs/dbraw/zinc/78/44/00/791784400.db2.gz ZUMMSAWKNAPRCZ-UHFFFAOYSA-N -1 1 338.300 2.338 20 0 EEADMM O=C([N-]c1nonc1-c1nc2ccccc2[nH]1)c1cnc(Cl)nc1 ZINC001147718689 791923983 /nfs/dbraw/zinc/92/39/83/791923983.db2.gz PDOICHUZTWCEDI-UHFFFAOYSA-N -1 1 341.718 2.309 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNc1nccnc1F ZINC001063936708 791996210 /nfs/dbraw/zinc/99/62/10/791996210.db2.gz 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ZINC000913742043 794200179 /nfs/dbraw/zinc/20/01/79/794200179.db2.gz CTTWYINDIOECDD-UHFFFAOYSA-N -1 1 325.372 2.203 20 0 EEADMM CCCCOc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742239 794200726 /nfs/dbraw/zinc/20/07/26/794200726.db2.gz PMNIXPFPISCWPT-UHFFFAOYSA-N -1 1 329.404 2.398 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCC(CSC)CC2)c1 ZINC000921696665 795411554 /nfs/dbraw/zinc/41/15/54/795411554.db2.gz XHWPLLVWIAHORB-UHFFFAOYSA-N -1 1 331.459 2.165 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccncc3Br)no2)n[n-]1 ZINC001212431613 795486071 /nfs/dbraw/zinc/48/60/71/795486071.db2.gz SNKWWTYCTVXSHZ-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccncc3Br)no2)[n-]n1 ZINC001212431613 795486075 /nfs/dbraw/zinc/48/60/75/795486075.db2.gz SNKWWTYCTVXSHZ-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM Cc1cc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C)sn1 ZINC000993252241 796158846 /nfs/dbraw/zinc/15/88/46/796158846.db2.gz UTSXQXVZIYJMQY-JSGCOSHPSA-N -1 1 346.456 2.335 20 0 EEADMM CCc1nsc(NC2CCC(NC(=O)c3ncccc3[O-])CC2)n1 ZINC001060588966 796693347 /nfs/dbraw/zinc/69/33/47/796693347.db2.gz FFNKYAHPRBRMQI-UHFFFAOYSA-N -1 1 347.444 2.354 20 0 EEADMM O=C(NC1CCC(Nc2ncc(Cl)cn2)CC1)c1ncccc1[O-] ZINC001060589346 796695201 /nfs/dbraw/zinc/69/52/01/796695201.db2.gz PEQBROBLEPOGLP-UHFFFAOYSA-N -1 1 347.806 2.384 20 0 EEADMM O=S(=O)([N-][C@@H]1CCCc2cccnc21)c1c[nH]nc1C(F)(F)F ZINC000921839447 796939927 /nfs/dbraw/zinc/93/99/27/796939927.db2.gz YXUFJMXIWZURGX-SECBINFHSA-N -1 1 346.334 2.179 20 0 EEADMM CCCCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022529 797081481 /nfs/dbraw/zinc/08/14/81/797081481.db2.gz FYUPKEXDSFYMPQ-AWEZNQCLSA-N -1 1 333.432 2.478 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001082023947 797082182 /nfs/dbraw/zinc/08/21/82/797082182.db2.gz ATCMTTWPAUEUHN-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060647821 797442193 /nfs/dbraw/zinc/44/21/93/797442193.db2.gz CODLLXHNPJUZST-HDJSIYSDSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)CCC1CCC1)C(=O)c1ncccc1[O-] ZINC001002338234 797912892 /nfs/dbraw/zinc/91/28/92/797912892.db2.gz SEAJOVLLSXOHSZ-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc(OC(C)C)nc2)no1 ZINC001212768191 798015677 /nfs/dbraw/zinc/01/56/77/798015677.db2.gz SFEHKHCYEVBAKX-UHFFFAOYSA-N -1 1 343.343 2.486 20 0 EEADMM CSc1nc(NC(=O)c2ccc3nc(N)sc3c2)cc(=O)[n-]1 ZINC001150497282 798033000 /nfs/dbraw/zinc/03/30/00/798033000.db2.gz CXFCSDJHMLHSMN-UHFFFAOYSA-N -1 1 333.398 2.348 20 0 EEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1 ZINC000917714069 798333101 /nfs/dbraw/zinc/33/31/01/798333101.db2.gz SZBNVKXOOKHOMX-UHFFFAOYSA-N -1 1 331.349 2.360 20 0 EEADMM C[C@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)NC1CCCC1 ZINC000917945007 798416339 /nfs/dbraw/zinc/41/63/39/798416339.db2.gz KRIWKPRDWOVUDW-LBPRGKRZSA-N -1 1 343.383 2.182 20 0 EEADMM COc1cc(Cl)cc([N-]S(=O)(=O)c2cc(N)ccc2N)c1 ZINC001176347693 798422621 /nfs/dbraw/zinc/42/26/21/798422621.db2.gz XOKWOSKPEYPGOQ-UHFFFAOYSA-N -1 1 327.793 2.314 20 0 EEADMM CCN(C)C(=O)c1cccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001176464486 798464890 /nfs/dbraw/zinc/46/48/90/798464890.db2.gz NYDTZKVQDOWBCA-UHFFFAOYSA-N -1 1 344.375 2.482 20 0 EEADMM CC(C)=C(F)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066055107 799940846 /nfs/dbraw/zinc/94/08/46/799940846.db2.gz MSTAOYUQMUXMPV-LBPRGKRZSA-N -1 1 335.379 2.162 20 0 EEADMM COc1ccccc1C=CC(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001180529002 800453956 /nfs/dbraw/zinc/45/39/56/800453956.db2.gz XWRLIZIKUBVARJ-CMDGGOBGSA-N -1 1 343.343 2.307 20 0 EEADMM COc1ccc(C(C)(C)C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1 ZINC001180871604 800595617 /nfs/dbraw/zinc/59/56/17/800595617.db2.gz WNPXHDINTYHHEZ-UHFFFAOYSA-N -1 1 332.316 2.211 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cc(C)ccc2C)c1[O-] ZINC001085550575 800760838 /nfs/dbraw/zinc/76/08/38/800760838.db2.gz YWDKBLUYGVMYBS-MRXNPFEDSA-N -1 1 342.443 2.387 20 0 EEADMM CN(C[C@H]1CCN1Cc1ccccc1F)C(=O)c1ncccc1[O-] ZINC001085562817 800789239 /nfs/dbraw/zinc/78/92/39/800789239.db2.gz VSCDTKXESVJIRQ-CQSZACIVSA-N -1 1 329.375 2.273 20 0 EEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001181779318 800901721 /nfs/dbraw/zinc/90/17/21/800901721.db2.gz VZZFUYXLEIZTQX-ZCFIWIBFSA-N -1 1 338.707 2.345 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cccc(F)c2F)C1 ZINC001033025550 800917489 /nfs/dbraw/zinc/91/74/89/800917489.db2.gz NQXZSYSFNJWGPS-ZDUSSCGKSA-N -1 1 347.365 2.412 20 0 EEADMM COC(=O)c1c[n-]c2nc[nH+]c(NC(=O)Cc3ccc([S-])cc3)c12 ZINC001183186276 801503860 /nfs/dbraw/zinc/50/38/60/801503860.db2.gz LKMPSMLXOYKNBX-UHFFFAOYSA-N -1 1 342.380 2.214 20 0 EEADMM O=C([N-]Cc1ccc2c(c1)OCO2)C(F)(F)OCC(F)(F)F ZINC001183191853 801504933 /nfs/dbraw/zinc/50/49/33/801504933.db2.gz HBBGQGNKMOZTRK-UHFFFAOYSA-N -1 1 327.205 2.203 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCc2ccccc2[C@@H]1O ZINC001183383872 801596327 /nfs/dbraw/zinc/59/63/27/801596327.db2.gz 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CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)[nH]n1 ZINC000788220927 807440913 /nfs/dbraw/zinc/44/09/13/807440913.db2.gz WJFBHPQXXIACAF-UHFFFAOYSA-N -1 1 342.808 2.086 20 0 EEADMM O=C1NCc2ccc([N-]S(=O)(=O)C3=Cc4ccccc4OC3)cc21 ZINC000788747937 807684060 /nfs/dbraw/zinc/68/40/60/807684060.db2.gz OXTOONQMOMHAKD-UHFFFAOYSA-N -1 1 342.376 2.105 20 0 EEADMM O=S(=O)([N-][C@H](CO)C1CC1)c1ccc(Cl)c(F)c1Cl ZINC000788901392 807752606 /nfs/dbraw/zinc/75/26/06/807752606.db2.gz UWOYHFZIOPPSQI-MRVPVSSYSA-N -1 1 328.192 2.182 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790046974 808375994 /nfs/dbraw/zinc/37/59/94/808375994.db2.gz SWAXVHFJDOSXBA-VIFPVBQESA-N -1 1 325.796 2.416 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000791150092 809081829 /nfs/dbraw/zinc/08/18/29/809081829.db2.gz NYYYRLRYIQLPIB-SRBZOADZSA-N -1 1 349.431 2.023 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nnnn1C1CC1 ZINC000791917395 809504397 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/nfs/dbraw/zinc/63/58/76/577635876.db2.gz VWKUKKIMVNUWMY-JTQLQIEISA-N -1 1 346.202 2.054 20 0 EEADMM O=C([N-]OCC(F)F)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000759333909 577641211 /nfs/dbraw/zinc/64/12/11/577641211.db2.gz GCFIEPZMFSATAW-JTQLQIEISA-N -1 1 332.734 2.001 20 0 EEADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccc[nH]1 ZINC000760412526 577662509 /nfs/dbraw/zinc/66/25/09/577662509.db2.gz UMMUHEHARMWXAK-JTQLQIEISA-N -1 1 339.417 2.176 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC[C@H]2CCSC2)c(=O)[n-]1 ZINC000762144837 577696039 /nfs/dbraw/zinc/69/60/39/577696039.db2.gz GOYYJUXOHRLKDL-SNVBAGLBSA-N -1 1 328.459 2.441 20 0 EEADMM CC(=O)O[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000763235596 577717444 /nfs/dbraw/zinc/71/74/44/577717444.db2.gz JEZHMDNKMDQJLO-NSHDSACASA-N -1 1 342.189 2.322 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000748556700 577963911 /nfs/dbraw/zinc/96/39/11/577963911.db2.gz MDAYCDRUPLBECH-JTQLQIEISA-N -1 1 333.413 2.196 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000739545214 578057814 /nfs/dbraw/zinc/05/78/14/578057814.db2.gz RRKNZGRWDQCISW-ZWKOTPCHSA-N -1 1 338.407 2.205 20 0 EEADMM CC(C)c1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735924821 578174142 /nfs/dbraw/zinc/17/41/42/578174142.db2.gz VNFLIBMNKCGTJM-UHFFFAOYSA-N -1 1 336.399 2.358 20 0 EEADMM CC(C)c1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735924821 578174143 /nfs/dbraw/zinc/17/41/43/578174143.db2.gz VNFLIBMNKCGTJM-UHFFFAOYSA-N -1 1 336.399 2.358 20 0 EEADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000736139258 578182904 /nfs/dbraw/zinc/18/29/04/578182904.db2.gz UXOMKVHAOIZTOJ-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000736139258 578182905 /nfs/dbraw/zinc/18/29/05/578182905.db2.gz UXOMKVHAOIZTOJ-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM CC1(C)C[N@H+](CCNc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000736214887 578188445 /nfs/dbraw/zinc/18/84/45/578188445.db2.gz WBQBJFLWFJJBAQ-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CC1(C)C[N@@H+](CCNc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 ZINC000736214887 578188446 /nfs/dbraw/zinc/18/84/46/578188446.db2.gz WBQBJFLWFJJBAQ-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000736370464 578199462 /nfs/dbraw/zinc/19/94/62/578199462.db2.gz VGCVTAPDQOMEAH-DZGCQCFKSA-N -1 1 337.420 2.215 20 0 EEADMM C[C@H]1CN(Cc2ccoc2C(=O)[O-])CCN1C[C@@H](O)c1ccccc1 ZINC000736815272 578225265 /nfs/dbraw/zinc/22/52/65/578225265.db2.gz QNYFEFSKZLQYKX-WMLDXEAASA-N -1 1 344.411 2.218 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CCOC[C@H]1CCCO1 ZINC000736824679 578225806 /nfs/dbraw/zinc/22/58/06/578225806.db2.gz PJETUZLFGJGWGZ-MAUKXSAKSA-N -1 1 348.443 2.091 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCOC[C@H]1CCCO1 ZINC000736824679 578225807 /nfs/dbraw/zinc/22/58/07/578225807.db2.gz PJETUZLFGJGWGZ-MAUKXSAKSA-N -1 1 348.443 2.091 20 0 EEADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737071672 578236311 /nfs/dbraw/zinc/23/63/11/578236311.db2.gz GDHSGGAALCPOFA-NSHDSACASA-N -1 1 338.371 2.104 20 0 EEADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737071672 578236312 /nfs/dbraw/zinc/23/63/12/578236312.db2.gz GDHSGGAALCPOFA-NSHDSACASA-N -1 1 338.371 2.104 20 0 EEADMM CCN1CCN(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC000737117053 578238785 /nfs/dbraw/zinc/23/87/85/578238785.db2.gz UMQZUNZKYBSBKH-UHFFFAOYSA-N -1 1 341.411 2.114 20 0 EEADMM CCc1[nH]c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000737241124 578245621 /nfs/dbraw/zinc/24/56/21/578245621.db2.gz JZMOYRRUCNDNKH-AAEUAGOBSA-N -1 1 333.432 2.283 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737777298 578269418 /nfs/dbraw/zinc/26/94/18/578269418.db2.gz TZIWSYCMDCHNMK-KBPBESRZSA-N -1 1 345.366 2.243 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000820767041 599074765 /nfs/dbraw/zinc/07/47/65/599074765.db2.gz FNKDFDAYEXDHLF-NXEZZACHSA-N -1 1 327.417 2.140 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000820767041 599074767 /nfs/dbraw/zinc/07/47/67/599074767.db2.gz FNKDFDAYEXDHLF-NXEZZACHSA-N -1 1 327.417 2.140 20 0 EEADMM O=C([O-])Cc1ccccc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000819603100 596926315 /nfs/dbraw/zinc/92/63/15/596926315.db2.gz WJDFIJFVSVRWDK-UHFFFAOYSA-N -1 1 328.372 2.448 20 0 EEADMM CN(C)c1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821614343 607266282 /nfs/dbraw/zinc/26/62/82/607266282.db2.gz BDVMRGRNJVINLJ-UHFFFAOYSA-N -1 1 342.428 2.266 20 0 EEADMM CN(C)c1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821614343 607266283 /nfs/dbraw/zinc/26/62/83/607266283.db2.gz BDVMRGRNJVINLJ-UHFFFAOYSA-N -1 1 342.428 2.266 20 0 EEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000822203467 607307350 /nfs/dbraw/zinc/30/73/50/607307350.db2.gz VGYLOKYFSAWXMI-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1-n1cncn1 ZINC000822753052 607313701 /nfs/dbraw/zinc/31/37/01/607313701.db2.gz ATNPIJJLHKJKEX-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM C[C@H]1COCCN1c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820814476 607317392 /nfs/dbraw/zinc/31/73/92/607317392.db2.gz WLYOAVWZOFETLK-LBPRGKRZSA-N -1 1 340.387 2.297 20 0 EEADMM C[C@H]1COCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820814476 607317393 /nfs/dbraw/zinc/31/73/93/607317393.db2.gz WLYOAVWZOFETLK-LBPRGKRZSA-N -1 1 340.387 2.297 20 0 EEADMM C[S@@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821941783 607317894 /nfs/dbraw/zinc/31/78/94/607317894.db2.gz JKNRXTGPPURRLW-JOCHJYFZSA-N -1 1 333.442 2.419 20 0 EEADMM Cc1cnn([C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)c1 ZINC000822403795 599539962 /nfs/dbraw/zinc/53/99/62/599539962.db2.gz VBTOTNBXFQDHJJ-LLVKDONJSA-N -1 1 344.810 2.262 20 0 EEADMM Cc1cnn([C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)c1 ZINC000822403795 599539964 /nfs/dbraw/zinc/53/99/64/599539964.db2.gz VBTOTNBXFQDHJJ-LLVKDONJSA-N -1 1 344.810 2.262 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405318034 600300976 /nfs/dbraw/zinc/30/09/76/600300976.db2.gz LNUFUOZNIUTABG-ZBFHGGJFSA-N -1 1 330.428 2.393 20 0 EEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc2ncccc21 ZINC000322304590 600514047 /nfs/dbraw/zinc/51/40/47/600514047.db2.gz VZZKIMCPYIGVBP-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827586359 601098564 /nfs/dbraw/zinc/09/85/64/601098564.db2.gz KYWNKEBIYPXFNC-KGLIPLIRSA-N -1 1 336.407 2.012 20 0 EEADMM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000828804452 601268093 /nfs/dbraw/zinc/26/80/93/601268093.db2.gz NHAFIYYBXHRUQV-UHFFFAOYSA-N -1 1 339.335 2.416 20 0 EEADMM CC(C)(O)CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826636667 601378985 /nfs/dbraw/zinc/37/89/85/601378985.db2.gz BMXQICJWRLNEBC-HNNXBMFYSA-N -1 1 340.851 2.244 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC000828442156 601515990 /nfs/dbraw/zinc/51/59/90/601515990.db2.gz XHTPJDIAORULHC-SKDRFNHKSA-N -1 1 346.305 2.176 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421488 601533704 /nfs/dbraw/zinc/53/37/04/601533704.db2.gz GEBFVZZQNBEWKX-GMTAPVOTSA-N -1 1 342.342 2.268 20 0 EEADMM CC(=O)N1CCCN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000823981263 607520617 /nfs/dbraw/zinc/52/06/17/607520617.db2.gz KUMQWBIOPHMBGP-UHFFFAOYSA-N -1 1 349.398 2.025 20 0 EEADMM CC(=O)N1CCCN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000823981263 607520618 /nfs/dbraw/zinc/52/06/18/607520618.db2.gz KUMQWBIOPHMBGP-UHFFFAOYSA-N -1 1 349.398 2.025 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC2 ZINC000826495806 607528229 /nfs/dbraw/zinc/52/82/29/607528229.db2.gz CBTXEZZHKVHNAU-QHCPKHFHSA-N -1 1 325.397 2.058 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC2 ZINC000826495806 607528230 /nfs/dbraw/zinc/52/82/30/607528230.db2.gz CBTXEZZHKVHNAU-QHCPKHFHSA-N -1 1 325.397 2.058 20 0 EEADMM CC[C@H](C)[C@@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000828736104 601844623 /nfs/dbraw/zinc/84/46/23/601844623.db2.gz GCHZZDQYOGVABH-TVQRCGJNSA-N -1 1 343.221 2.477 20 0 EEADMM COC[C@@H](C)n1c(C)cc(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000831651385 601942954 /nfs/dbraw/zinc/94/29/54/601942954.db2.gz XSDMGFFOWOGFIH-FZKQIMNGSA-N -1 1 336.432 2.292 20 0 EEADMM COc1cc(C)c(S(=O)(=O)Nc2csnc2C(=O)[O-])c(C)c1 ZINC000831967473 602155813 /nfs/dbraw/zinc/15/58/13/602155813.db2.gz ZTFKQRRAQWEQSO-UHFFFAOYSA-N -1 1 342.398 2.268 20 0 EEADMM O=C(c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1)N1CCCC1 ZINC000826473323 607548060 /nfs/dbraw/zinc/54/80/60/607548060.db2.gz SXCLBVRIYKOIMP-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM O=C(c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1)N1CCCC1 ZINC000826473323 607548061 /nfs/dbraw/zinc/54/80/61/607548061.db2.gz SXCLBVRIYKOIMP-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM CC1CCN(CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000828286056 602365504 /nfs/dbraw/zinc/36/55/04/602365504.db2.gz RPVSPRDFBJDVLX-UHFFFAOYSA-N -1 1 348.443 2.278 20 0 EEADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829159894 602372566 /nfs/dbraw/zinc/37/25/66/602372566.db2.gz AAGXPVLYCBWOTR-ZIAGYGMSSA-N -1 1 334.420 2.204 20 0 EEADMM CC1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC000824837583 607595605 /nfs/dbraw/zinc/59/56/05/607595605.db2.gz GVGORDSVXVJBSR-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CC1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC000824837583 607595607 /nfs/dbraw/zinc/59/56/07/607595607.db2.gz GVGORDSVXVJBSR-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM O=C([O-])N1CCC[C@@H](NC(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000831583745 603800653 /nfs/dbraw/zinc/80/06/53/603800653.db2.gz GCRYGTBHEGEYSW-IAGOWNOFSA-N -1 1 345.443 2.300 20 0 EEADMM CC(C)(O)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000826636976 604360223 /nfs/dbraw/zinc/36/02/23/604360223.db2.gz YDDFPQICZJLKOE-OAHLLOKOSA-N -1 1 340.851 2.244 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC000833733974 604747593 /nfs/dbraw/zinc/74/75/93/604747593.db2.gz XNMGJFXTCGEJSV-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM C[C@]1(NS(=O)(=O)c2c(F)cccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570383 604808881 /nfs/dbraw/zinc/80/88/81/604808881.db2.gz SEIAIPSYDNPXRY-XPTSAGLGSA-N -1 1 333.356 2.277 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)O1 ZINC000833576165 604830636 /nfs/dbraw/zinc/83/06/36/604830636.db2.gz HIHCYOMBXHBAGW-NVXWUHKLSA-N -1 1 344.411 2.261 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000833678165 604922499 /nfs/dbraw/zinc/92/24/99/604922499.db2.gz KAUKOPZDQRVKMP-MRXNPFEDSA-N -1 1 347.415 2.219 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1F ZINC000833147736 604965658 /nfs/dbraw/zinc/96/56/58/604965658.db2.gz MAXUCYCULKOUQL-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1F ZINC000833147736 604965660 /nfs/dbraw/zinc/96/56/60/604965660.db2.gz MAXUCYCULKOUQL-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(Cc2ccccc2Br)CC1 ZINC000833770616 604982721 /nfs/dbraw/zinc/98/27/21/604982721.db2.gz KGTTYUHVCVAZFW-CYBMUJFWSA-N -1 1 328.206 2.107 20 0 EEADMM CC(C)(C)c1cc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000322437277 605011449 /nfs/dbraw/zinc/01/14/49/605011449.db2.gz ZKCUJXXKLROYTM-UHFFFAOYSA-N -1 1 337.401 2.347 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1ccc(Oc2ccccc2)nn1 ZINC000833722496 605143844 /nfs/dbraw/zinc/14/38/44/605143844.db2.gz XBSJAYOGEBHHPX-QGZVFWFLSA-N -1 1 331.372 2.238 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc3ccccc32)CCN1CCC(=O)[O-] ZINC000833625509 605250431 /nfs/dbraw/zinc/25/04/31/605250431.db2.gz YQHNMZZVFMQOAE-CQSZACIVSA-N -1 1 326.396 2.461 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCN1CCC(=O)[O-] ZINC000833619348 605278833 /nfs/dbraw/zinc/27/88/33/605278833.db2.gz CRNJJGRSFZGIJW-SECBINFHSA-N -1 1 346.761 2.239 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1)C(=O)[O-] ZINC000833540446 605752111 /nfs/dbraw/zinc/75/21/11/605752111.db2.gz JYODYBBFQWZLML-NSHDSACASA-N -1 1 347.333 2.428 20 0 EEADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820549949 606292320 /nfs/dbraw/zinc/29/23/20/606292320.db2.gz TWHZBNRPYSSFIB-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1F ZINC000819866154 606294012 /nfs/dbraw/zinc/29/40/12/606294012.db2.gz JZIYLJFNAZTQGB-VIFPVBQESA-N -1 1 327.319 2.454 20 0 EEADMM CN(C)C(=O)c1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821579508 606451945 /nfs/dbraw/zinc/45/19/45/606451945.db2.gz DARIHRGFCXZYGA-UHFFFAOYSA-N -1 1 344.762 2.409 20 0 EEADMM CN(C)C(=O)c1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821579508 606451946 /nfs/dbraw/zinc/45/19/46/606451946.db2.gz DARIHRGFCXZYGA-UHFFFAOYSA-N -1 1 344.762 2.409 20 0 EEADMM OC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000823705820 606452870 /nfs/dbraw/zinc/45/28/70/606452870.db2.gz HMNZHEQMCDMMEJ-LBPRGKRZSA-N -1 1 344.806 2.178 20 0 EEADMM OC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000823705820 606452871 /nfs/dbraw/zinc/45/28/71/606452871.db2.gz HMNZHEQMCDMMEJ-LBPRGKRZSA-N -1 1 344.806 2.178 20 0 EEADMM CC(C)[C@@H]1OCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820047518 606472175 /nfs/dbraw/zinc/47/21/75/606472175.db2.gz ZFTOFKKKXARNLX-ZBEGNZNMSA-N -1 1 339.403 2.283 20 0 EEADMM CC(C)[C@@H]1OCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820047518 606472177 /nfs/dbraw/zinc/47/21/77/606472177.db2.gz ZFTOFKKKXARNLX-ZBEGNZNMSA-N -1 1 339.403 2.283 20 0 EEADMM C[C@@H](COCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820286609 606575521 /nfs/dbraw/zinc/57/55/21/606575521.db2.gz CVNWGRLEHWJAJE-NSHDSACASA-N -1 1 343.412 2.263 20 0 EEADMM C[C@@H](COCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820286609 606575523 /nfs/dbraw/zinc/57/55/23/606575523.db2.gz CVNWGRLEHWJAJE-NSHDSACASA-N -1 1 343.412 2.263 20 0 EEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCCC2 ZINC000821362057 606577636 /nfs/dbraw/zinc/57/76/36/606577636.db2.gz XYGPKQUWRLSAQZ-STQMWFEESA-N -1 1 347.444 2.396 20 0 EEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCCC2 ZINC000821362057 606577638 /nfs/dbraw/zinc/57/76/38/606577638.db2.gz XYGPKQUWRLSAQZ-STQMWFEESA-N -1 1 347.444 2.396 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000819882450 606648602 /nfs/dbraw/zinc/64/86/02/606648602.db2.gz AATNKGMDUPMIFA-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000819882450 606648603 /nfs/dbraw/zinc/64/86/03/606648603.db2.gz AATNKGMDUPMIFA-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM O=C(Cc1ccc2c(c1)CCCC2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082271 606650587 /nfs/dbraw/zinc/65/05/87/606650587.db2.gz FSPLQFJLSDKWLR-UHFFFAOYSA-N -1 1 349.394 2.426 20 0 EEADMM O=C(Cc1ccc2c(c1)CCCC2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082271 606650588 /nfs/dbraw/zinc/65/05/88/606650588.db2.gz FSPLQFJLSDKWLR-UHFFFAOYSA-N -1 1 349.394 2.426 20 0 EEADMM CC(C)CCn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820081340 607067456 /nfs/dbraw/zinc/06/74/56/607067456.db2.gz CQNOCYCLYYCUPC-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM CC(C)CCn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820081340 607067457 /nfs/dbraw/zinc/06/74/57/607067457.db2.gz CQNOCYCLYYCUPC-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM COCCN(Cc1ccco1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821690389 607114628 /nfs/dbraw/zinc/11/46/28/607114628.db2.gz JOTOCGWPSPLEEP-UHFFFAOYSA-N -1 1 334.767 2.161 20 0 EEADMM COCCN(Cc1ccco1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821690389 607114629 /nfs/dbraw/zinc/11/46/29/607114629.db2.gz JOTOCGWPSPLEEP-UHFFFAOYSA-N -1 1 334.767 2.161 20 0 EEADMM COc1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826220208 607865398 /nfs/dbraw/zinc/86/53/98/607865398.db2.gz GEWHGRFCZXHLBN-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM COc1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826220208 607865399 /nfs/dbraw/zinc/86/53/99/607865399.db2.gz GEWHGRFCZXHLBN-UHFFFAOYSA-N -1 1 343.318 2.032 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1c(F)cccc1F ZINC000826418806 607866392 /nfs/dbraw/zinc/86/63/92/607866392.db2.gz XEDOJURVQUXUGT-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1c(F)cccc1F ZINC000826418806 607866393 /nfs/dbraw/zinc/86/63/93/607866393.db2.gz XEDOJURVQUXUGT-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM C[C@@H]1CN(c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)CCO1 ZINC000824993732 607899724 /nfs/dbraw/zinc/89/97/24/607899724.db2.gz RWZQWSLPGHABNO-GFCCVEGCSA-N -1 1 337.387 2.230 20 0 EEADMM C[C@@H]1CN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)CCO1 ZINC000824993732 607899725 /nfs/dbraw/zinc/89/97/25/607899725.db2.gz RWZQWSLPGHABNO-GFCCVEGCSA-N -1 1 337.387 2.230 20 0 EEADMM CC(=O)N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000823972664 607937132 /nfs/dbraw/zinc/93/71/32/607937132.db2.gz DXVKDIDQHIKOEO-CYBMUJFWSA-N -1 1 335.371 2.172 20 0 EEADMM CC(=O)N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000823972664 607937133 /nfs/dbraw/zinc/93/71/33/607937133.db2.gz DXVKDIDQHIKOEO-CYBMUJFWSA-N -1 1 335.371 2.172 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000824677481 607967715 /nfs/dbraw/zinc/96/77/15/607967715.db2.gz FJRKBCQMIPCWBU-OAHLLOKOSA-N -1 1 348.769 2.374 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000824677481 607967716 /nfs/dbraw/zinc/96/77/16/607967716.db2.gz FJRKBCQMIPCWBU-OAHLLOKOSA-N -1 1 348.769 2.374 20 0 EEADMM O=C(Nc1ccc(F)cc1[O-])c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826454862 607996521 /nfs/dbraw/zinc/99/65/21/607996521.db2.gz NVZCXBNDORECPN-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2cnccc21 ZINC000826450872 607996831 /nfs/dbraw/zinc/99/68/31/607996831.db2.gz HIRWLXRTUHIHSY-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM CCC(CC)(CNc1snc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000825089951 608191986 /nfs/dbraw/zinc/19/19/86/608191986.db2.gz QAHSVRXSTZJZBB-UHFFFAOYSA-N -1 1 344.828 2.368 20 0 EEADMM CCC(CC)(CNc1snc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC000825089951 608191988 /nfs/dbraw/zinc/19/19/88/608191988.db2.gz QAHSVRXSTZJZBB-UHFFFAOYSA-N -1 1 344.828 2.368 20 0 EEADMM CC(C)[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824214447 608242230 /nfs/dbraw/zinc/24/22/30/608242230.db2.gz GVFYLZWEWSVDFW-RISCZKNCSA-N -1 1 339.403 2.425 20 0 EEADMM CC(C)[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824214447 608242232 /nfs/dbraw/zinc/24/22/32/608242232.db2.gz GVFYLZWEWSVDFW-RISCZKNCSA-N -1 1 339.403 2.425 20 0 EEADMM O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431200 608315712 /nfs/dbraw/zinc/31/57/12/608315712.db2.gz VBCVUGBVRCJGGJ-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431200 608315714 /nfs/dbraw/zinc/31/57/14/608315714.db2.gz VBCVUGBVRCJGGJ-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccc(Cl)cc1 ZINC000824427755 608425735 /nfs/dbraw/zinc/42/57/35/608425735.db2.gz OFDIXKYTEMEDAC-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccc(Cl)cc1 ZINC000824427755 608425737 /nfs/dbraw/zinc/42/57/37/608425737.db2.gz OFDIXKYTEMEDAC-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cc(F)ccc2C1 ZINC000826472303 608560734 /nfs/dbraw/zinc/56/07/34/608560734.db2.gz GFGVHMASBDKPOF-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cc(F)ccc2C1 ZINC000826472303 608560735 /nfs/dbraw/zinc/56/07/35/608560735.db2.gz GFGVHMASBDKPOF-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM COc1ccc([C@@H](C)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826187969 608593183 /nfs/dbraw/zinc/59/31/83/608593183.db2.gz JSVKMYOXNIBNCY-NSHDSACASA-N -1 1 339.355 2.231 20 0 EEADMM COc1ccc([C@@H](C)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826187969 608593186 /nfs/dbraw/zinc/59/31/86/608593186.db2.gz JSVKMYOXNIBNCY-NSHDSACASA-N -1 1 339.355 2.231 20 0 EEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000866837784 674579775 /nfs/dbraw/zinc/57/97/75/674579775.db2.gz DYWHHOMHVCFELM-LLVKDONJSA-N -1 1 347.339 2.238 20 0 EEADMM COc1ccc(CN(CCCO)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000890644687 675233312 /nfs/dbraw/zinc/23/33/12/675233312.db2.gz XEKOKWBSEGETEH-UHFFFAOYSA-N -1 1 330.384 2.129 20 0 EEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@H]2c2ccccc2Cl)s1 ZINC000079655898 675442601 /nfs/dbraw/zinc/44/26/01/675442601.db2.gz GNRAAPWSLDCHPL-NWDGAFQWSA-N -1 1 337.832 2.350 20 0 EEADMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1c(F)cncc1F ZINC000804823211 675649104 /nfs/dbraw/zinc/64/91/04/675649104.db2.gz GDCMWHWTHMPADD-SSDOTTSWSA-N -1 1 335.339 2.182 20 0 EEADMM CC(=O)CC(C)(C)CC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000188344055 676487486 /nfs/dbraw/zinc/48/74/86/676487486.db2.gz OWDHWLATNJJVMI-UHFFFAOYSA-N -1 1 326.780 2.202 20 0 EEADMM Cc1nsc(C)c1CN(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971395367 676521186 /nfs/dbraw/zinc/52/11/86/676521186.db2.gz UUYIALATIMHZBO-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM CCn1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C2CC2)n1 ZINC000891615398 676721333 /nfs/dbraw/zinc/72/13/33/676721333.db2.gz RSBUZGCKCHOTRK-UHFFFAOYSA-N -1 1 327.388 2.407 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1COC[C@H]1c1ccccc1 ZINC000891612601 676722691 /nfs/dbraw/zinc/72/26/91/676722691.db2.gz CTIZMSAWPNAMCB-GJZGRUSLSA-N -1 1 339.395 2.430 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1OCCc2ccccc21 ZINC000891622452 676730727 /nfs/dbraw/zinc/73/07/27/676730727.db2.gz ONYHKRJSDGSXDH-OAHLLOKOSA-N -1 1 325.368 2.314 20 0 EEADMM Cc1nn(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C)c1Cl ZINC000891625461 676734427 /nfs/dbraw/zinc/73/44/27/676734427.db2.gz YHKCBTLZOQUXCU-UHFFFAOYSA-N -1 1 335.795 2.166 20 0 EEADMM COCc1nc(N2CCc3c(cnn3-c3ccccc3)C2)cc(=O)[n-]1 ZINC000891832859 676853676 /nfs/dbraw/zinc/85/36/76/676853676.db2.gz DRXUCYAFAMQCKX-UHFFFAOYSA-N -1 1 337.383 2.077 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C[C@H](C)O ZINC000866853801 677883506 /nfs/dbraw/zinc/88/35/06/677883506.db2.gz CBFUKCBWEMMQJK-SFYZADRCSA-N -1 1 327.233 2.074 20 0 EEADMM Cc1cnc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])s1 ZINC001024408309 679892155 /nfs/dbraw/zinc/89/21/55/679892155.db2.gz ZUSWHNXZKYOQCE-ZDUSSCGKSA-N -1 1 346.456 2.337 20 0 EEADMM Cc1csc(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000937321999 681267942 /nfs/dbraw/zinc/26/79/42/681267942.db2.gz NUYUVLMLTCJUHX-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983082888 681762250 /nfs/dbraw/zinc/76/22/50/681762250.db2.gz BGOXFSWRSFWSCO-CABCVRRESA-N -1 1 343.427 2.112 20 0 EEADMM CC1CCC(C)(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001025171555 682147546 /nfs/dbraw/zinc/14/75/46/682147546.db2.gz PLWHNBPOQODHPW-TXKKKEFDSA-N -1 1 349.479 2.197 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973200066 682297499 /nfs/dbraw/zinc/29/74/99/682297499.db2.gz XPWGXCFOWWZTHC-TUVASFSCSA-N -1 1 345.443 2.381 20 0 EEADMM 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/nfs/dbraw/zinc/70/49/87/1304704987.db2.gz NOKPABMXIYHVBQ-XYPYZODXSA-N -1 1 332.356 2.460 20 0 EEADMM O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000798288444 1304972631 /nfs/dbraw/zinc/97/26/31/1304972631.db2.gz JLHAIEQBYDFPOS-UHFFFAOYSA-N -1 1 344.342 2.189 20 0 EEADMM O=C(c1c(F)c(F)c([O-])c(F)c1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001277923457 1305117168 /nfs/dbraw/zinc/11/71/68/1305117168.db2.gz WZUXWIANTSIINO-DTORHVGOSA-N -1 1 344.308 2.400 20 0 EEADMM CCc1cc(C(=O)Nc2nc(Br)ccc2[O-])nn1C ZINC001116706492 1305912191 /nfs/dbraw/zinc/91/21/91/1305912191.db2.gz AOEKWRIRWPXIJS-UHFFFAOYSA-N -1 1 325.166 2.098 20 0 EEADMM CC(=O)N[C@H]1CCN(Cc2c(Br)ccc([O-])c2F)C1 ZINC001238311314 1306327428 /nfs/dbraw/zinc/32/74/28/1306327428.db2.gz HDJACZJKSOYNPF-VIFPVBQESA-N -1 1 331.185 2.004 20 0 EEADMM O=S(=O)([N-]Cc1cccc2c1CCN2)C(Cl)(Cl)Cl ZINC001238889561 1308975070 /nfs/dbraw/zinc/97/50/70/1308975070.db2.gz KNKXPUNXMMJHQS-UHFFFAOYSA-N -1 1 329.636 2.402 20 0 EEADMM Fc1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(F)c1N1CCOCC1 ZINC001243841692 1309867528 /nfs/dbraw/zinc/86/75/28/1309867528.db2.gz ZICMOTMXIQCCBL-UHFFFAOYSA-N -1 1 344.325 2.044 20 0 EEADMM Fc1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(F)c1N1CCOCC1 ZINC001243841692 1309867533 /nfs/dbraw/zinc/86/75/33/1309867533.db2.gz ZICMOTMXIQCCBL-UHFFFAOYSA-N -1 1 344.325 2.044 20 0 EEADMM COc1ncc(-c2cn3ccnc3cc2C)cc1[N-]S(C)(=O)=O ZINC001244794699 1309990983 /nfs/dbraw/zinc/99/09/83/1309990983.db2.gz RCSWAWGTTFHEIV-UHFFFAOYSA-N -1 1 332.385 2.085 20 0 EEADMM COc1cccc(C(=O)n2[n-]c(COCc3ccccc3)cc2=O)n1 ZINC001245922698 1310189760 /nfs/dbraw/zinc/18/97/60/1310189760.db2.gz ICYLDLJJNUHNTJ-UHFFFAOYSA-N -1 1 339.351 2.398 20 0 EEADMM Nc1cccc(-c2cc(=O)n(-c3cccc(S(=O)(=O)[O-])c3)[nH]2)c1 ZINC001245953292 1310196380 /nfs/dbraw/zinc/19/63/80/1310196380.db2.gz MCTYSIYGLFYRKE-UHFFFAOYSA-N -1 1 331.353 2.074 20 0 EEADMM Cc1cc(C)c(-c2noc(CCC[N-]C(=O)C(F)(F)F)n2)cn1 ZINC001248432261 1310903810 /nfs/dbraw/zinc/90/38/10/1310903810.db2.gz FCWHWXAJDCAPRY-UHFFFAOYSA-N -1 1 328.294 2.360 20 0 EEADMM COc1cc2c(cc1[N-]S(=O)(=O)CC(C)C)N(C(C)=O)CC2 ZINC001259886562 1319723840 /nfs/dbraw/zinc/72/38/40/1319723840.db2.gz ITNJOJXSHBUEOL-UHFFFAOYSA-N -1 1 326.418 2.002 20 0 EEADMM O=S(=O)([N-][C@H](CO)c1ccncc1)c1cc(F)c(F)cc1Cl ZINC001260288896 1319856972 /nfs/dbraw/zinc/85/69/72/1319856972.db2.gz FYSSKGUMYIKUMQ-GFCCVEGCSA-N -1 1 348.758 2.025 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccncc1)c1cc(F)c(F)cc1Cl ZINC001260290907 1319857415 /nfs/dbraw/zinc/85/74/15/1319857415.db2.gz YJHSATKNPDWONP-LBPRGKRZSA-N -1 1 348.758 2.025 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C1CCCC1 ZINC001260698557 1319948460 /nfs/dbraw/zinc/94/84/60/1319948460.db2.gz LOXKJHUQNJKFDW-AWEZNQCLSA-N -1 1 345.848 2.491 20 0 EEADMM CN(C)[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001260867653 1319992484 /nfs/dbraw/zinc/99/24/84/1319992484.db2.gz DNLJLCXQQHAXBU-QMMMGPOBSA-N -1 1 339.244 2.024 20 0 EEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C12CCCC2 ZINC000830744797 1314548242 /nfs/dbraw/zinc/54/82/42/1314548242.db2.gz HAOILUNTSQOVBR-MNOVXSKESA-N -1 1 333.841 2.079 20 0 EEADMM CSc1ccc(C)c(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000831154200 1314576648 /nfs/dbraw/zinc/57/66/48/1314576648.db2.gz KGASGDPVGXOLMV-UHFFFAOYSA-N -1 1 346.374 2.467 20 0 EEADMM CCCc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000831162619 1314577557 /nfs/dbraw/zinc/57/75/57/1314577557.db2.gz SKUBFVSSTMAPMV-UHFFFAOYSA-N -1 1 334.363 2.451 20 0 EEADMM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000831547583 1314598005 /nfs/dbraw/zinc/59/80/05/1314598005.db2.gz SFBHCEMXDGADKA-NSHDSACASA-N -1 1 343.836 2.337 20 0 EEADMM CCC[C@H](OC)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000835433475 1314919609 /nfs/dbraw/zinc/91/96/09/1314919609.db2.gz CWAUQOAJTQQJCI-HNNXBMFYSA-N -1 1 345.399 2.453 20 0 EEADMM Cc1cc(N2CCN(Cc3ccc([O-])c(F)c3F)CC2)nc(C)n1 ZINC001140894109 1314982264 /nfs/dbraw/zinc/98/22/64/1314982264.db2.gz QNVPQWGSFFTZFT-UHFFFAOYSA-N -1 1 334.370 2.399 20 0 EEADMM COCCCNC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000836743615 1315022431 /nfs/dbraw/zinc/02/24/31/1315022431.db2.gz VGYRGGYYMQIYJU-UHFFFAOYSA-N -1 1 347.337 2.332 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C2(c3ccc(N(C)C)cc3)CC2)n1 ZINC000841222211 1315507778 /nfs/dbraw/zinc/50/77/78/1315507778.db2.gz UCZIBMXAIMTZKT-UHFFFAOYSA-N -1 1 342.399 2.323 20 0 EEADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001149657634 1316008900 /nfs/dbraw/zinc/00/89/00/1316008900.db2.gz LQNXDVPPFVABKC-GFCCVEGCSA-N -1 1 325.372 2.129 20 0 EEADMM CCN(Cc1ccncc1Cl)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001152975059 1316751786 /nfs/dbraw/zinc/75/17/86/1316751786.db2.gz HGOSOUSWKLNWGW-GFCCVEGCSA-N -1 1 348.834 2.476 20 0 EEADMM CN1Cc2c(NC(=O)c3cnc4cccnc4c3[O-])cccc2NC1=O ZINC001153860050 1316902684 /nfs/dbraw/zinc/90/26/84/1316902684.db2.gz ILMKSBFGHRMHCD-UHFFFAOYSA-N -1 1 349.350 2.153 20 0 EEADMM COC(=O)c1cn(-c2cc(Cl)c([O-])cc2F)c(C(=O)OC)c1N ZINC001250020361 1317208862 /nfs/dbraw/zinc/20/88/62/1317208862.db2.gz RNXKYZGWOVBCPD-UHFFFAOYSA-N -1 1 342.710 2.131 20 0 EEADMM O=c1oc2cc([O-])ccc2cc1NC[C@@H](O)COc1ccccc1 ZINC001251164009 1317427125 /nfs/dbraw/zinc/42/71/25/1317427125.db2.gz JOEMBYJSFANMFO-CQSZACIVSA-N -1 1 327.336 2.350 20 0 EEADMM Cc1cc2[nH]c(-c3c([O-])ccc(F)c3F)nc2cc1S(N)(=O)=O ZINC001251321745 1317447325 /nfs/dbraw/zinc/44/73/25/1317447325.db2.gz CMVWCBQWVYLMII-UHFFFAOYSA-N -1 1 339.323 2.170 20 0 EEADMM COc1ccc2nccc([N-]S(=O)(=O)C=Cc3ccccc3)c2n1 ZINC001252963979 1317741617 /nfs/dbraw/zinc/74/16/17/1317741617.db2.gz TZGMZEDPQCDQTC-ZRDIBKRKSA-N -1 1 341.392 2.473 20 0 EEADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccnc1OC1COC1 ZINC001252963504 1317742094 /nfs/dbraw/zinc/74/20/94/1317742094.db2.gz JOFRDMZAFFASDH-CSKARUKUSA-N -1 1 332.381 2.272 20 0 EEADMM COc1ccc(-c2ccc(NCC[N-]C(=O)C(F)(F)F)nn2)cc1 ZINC001156205164 1317921395 /nfs/dbraw/zinc/92/13/95/1317921395.db2.gz MTEBYGBWICXXEL-UHFFFAOYSA-N -1 1 340.305 2.243 20 0 EEADMM COc1cc(OC)cc(-c2nnc(-c3c[nH]c(=S)[n-]c3=O)o2)c1 ZINC001253903768 1317955913 /nfs/dbraw/zinc/95/59/13/1317955913.db2.gz UOVBJSKCRYGURC-UHFFFAOYSA-N -1 1 332.341 2.205 20 0 EEADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1F ZINC001253937177 1317961177 /nfs/dbraw/zinc/96/11/77/1317961177.db2.gz NXYCBGZWWGYFJN-UHFFFAOYSA-N -1 1 339.344 2.422 20 0 EEADMM NC(=O)c1cc(O)cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC001254967477 1318241953 /nfs/dbraw/zinc/24/19/53/1318241953.db2.gz MHLGUNGUDFHTKR-UHFFFAOYSA-N -1 1 344.751 2.084 20 0 EEADMM CCc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc(C)n1 ZINC001157160940 1318449269 /nfs/dbraw/zinc/44/92/69/1318449269.db2.gz VFKRGKADKSMGFG-UHFFFAOYSA-N -1 1 333.328 2.432 20 0 EEADMM COC(=O)[C@](C)([N-]S(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC001255687767 1318516397 /nfs/dbraw/zinc/51/63/97/1318516397.db2.gz JTTNMLMWGMTCLP-MRXNPFEDSA-N -1 1 337.372 2.192 20 0 EEADMM CSc1nc(NS(=O)(=O)c2cccc(Cl)c2)cc(=O)[n-]1 ZINC001256715100 1318841168 /nfs/dbraw/zinc/84/11/68/1318841168.db2.gz GMHWIKOTIWXCRW-UHFFFAOYSA-N -1 1 331.806 2.358 20 0 EEADMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc21 ZINC001259384504 1319548668 /nfs/dbraw/zinc/54/86/68/1319548668.db2.gz UAYIVOURBNQASB-UHFFFAOYSA-N -1 1 344.348 2.463 20 0 EEADMM CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)OCC ZINC001259471623 1319587908 /nfs/dbraw/zinc/58/79/08/1319587908.db2.gz JHNXCMSKUIXLOT-JTQLQIEISA-N -1 1 337.800 2.489 20 0 EEADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)cnc3c2)c1 ZINC001259524690 1319611129 /nfs/dbraw/zinc/61/11/29/1319611129.db2.gz DTKMBGOPXQZRAZ-UHFFFAOYSA-N -1 1 329.381 2.341 20 0 EEADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc3c2CCNC3=O)c1 ZINC001259524706 1319611342 /nfs/dbraw/zinc/61/13/42/1319611342.db2.gz FSXLCNDYOVIXFV-UHFFFAOYSA-N -1 1 330.409 2.390 20 0 EEADMM COc1cc2c(cc1[N-]S(=O)(=O)C1CCCC1)N(C(C)=O)CC2 ZINC001259801627 1319684981 /nfs/dbraw/zinc/68/49/81/1319684981.db2.gz KANQUYNYFHIOBW-UHFFFAOYSA-N -1 1 338.429 2.289 20 0 EEADMM CCn1cc(S(=O)(=O)[N-]c2ccccc2CN2CCCC2)cn1 ZINC001259838164 1319701356 /nfs/dbraw/zinc/70/13/56/1319701356.db2.gz WABWODTZRKXORA-UHFFFAOYSA-N -1 1 334.445 2.300 20 0 EEADMM CCOc1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001260183819 1319818094 /nfs/dbraw/zinc/81/80/94/1319818094.db2.gz CCVJLJFMWCQXNZ-UHFFFAOYSA-N -1 1 340.332 2.118 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CC[C@@H](O)C1)c1cc(Cl)c(F)cc1F ZINC001260204219 1319826731 /nfs/dbraw/zinc/82/67/31/1319826731.db2.gz WOMKLDNEERQUCQ-HTQZYQBOSA-N -1 1 325.764 2.058 20 0 EEADMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260208285 1319831522 /nfs/dbraw/zinc/83/15/22/1319831522.db2.gz UAIBCAKGJAFMAZ-UHFFFAOYSA-N -1 1 327.780 2.446 20 0 EEADMM COc1ccc(C(C)=O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227323 1319838036 /nfs/dbraw/zinc/83/80/36/1319838036.db2.gz BIDWPCDBZQUHCR-UHFFFAOYSA-N -1 1 349.364 2.397 20 0 EEADMM COC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260486066 1319900583 /nfs/dbraw/zinc/90/05/83/1319900583.db2.gz RGOAZNYXNSCEHF-YFKPBYRVSA-N -1 1 348.671 2.477 20 0 EEADMM CCCCCc1ccc(S(=O)(=O)Nc2c([O-])nc[nH]c2=O)cc1 ZINC001260567333 1319913987 /nfs/dbraw/zinc/91/39/87/1319913987.db2.gz UNVWZFRSTHJRAI-UHFFFAOYSA-N -1 1 337.401 2.421 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC001260802146 1319979591 /nfs/dbraw/zinc/97/95/91/1319979591.db2.gz YOYQGBNXQZKSEU-UHFFFAOYSA-N -1 1 342.380 2.389 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)=O)cc2)c1 ZINC001260845284 1319990867 /nfs/dbraw/zinc/99/08/67/1319990867.db2.gz IDGWLXWFGGHKEO-UHFFFAOYSA-N -1 1 349.364 2.199 20 0 EEADMM COc1cnc(-c2noc(-c3cnc(SC)[n-]c3=O)n2)c(OC)c1 ZINC001213019780 1320035600 /nfs/dbraw/zinc/03/56/00/1320035600.db2.gz QPOJYNZCVWXYEZ-UHFFFAOYSA-N -1 1 347.356 2.033 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cccc3[nH]cnc32)c1 ZINC001213034280 1320571983 /nfs/dbraw/zinc/57/19/83/1320571983.db2.gz AYYWYOMEMIGILU-UHFFFAOYSA-N -1 1 332.341 2.279 20 0 EEADMM COC(=O)c1nccc2c(NCC[N-]C(=O)C(F)(F)F)cccc21 ZINC001164246263 1321329496 /nfs/dbraw/zinc/32/94/96/1321329496.db2.gz WQLQOFRFSIQMPL-UHFFFAOYSA-N -1 1 341.289 2.112 20 0 EEADMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](F)C1 ZINC001261061078 1322007363 /nfs/dbraw/zinc/00/73/63/1322007363.db2.gz ORZVWJZQCKKLBA-RQJHMYQMSA-N -1 1 341.813 2.357 20 0 EEADMM O=C([O-])c1sccc1-c1cccc2nc([C@H]3CNCCO3)cn21 ZINC001205605544 1323212639 /nfs/dbraw/zinc/21/26/39/1323212639.db2.gz MJBZQYVBHWLFKY-CYBMUJFWSA-N -1 1 329.381 2.422 20 0 EEADMM Nc1nc(CC(=O)c2ccccc2)nn1-c1cccc(Cl)c1[O-] ZINC001210219509 1325205739 /nfs/dbraw/zinc/20/57/39/1325205739.db2.gz LVQGSFNTJBDLNG-UHFFFAOYSA-N -1 1 328.759 2.464 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3ccc4ccccc4c3)nc2n1 ZINC001287285954 1327463218 /nfs/dbraw/zinc/46/32/18/1327463218.db2.gz PDYZECLRRNCVOF-UHFFFAOYSA-N -1 1 333.351 2.386 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001608486901 1351703172 /nfs/dbraw/zinc/70/31/72/1351703172.db2.gz LEEOCTVQWMAJGG-DJIMGWMZSA-N -1 1 341.411 2.181 20 0 EEADMM COc1cccc(-n2cc(NC(=O)c3ccc(F)c([O-])c3)nn2)c1 ZINC001299948200 1330169248 /nfs/dbraw/zinc/16/92/48/1330169248.db2.gz BFCLKWRZEFJUTO-UHFFFAOYSA-N -1 1 328.303 2.373 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cnn(-c4ccccc4)n3)[nH]c21 ZINC001608526032 1351710129 /nfs/dbraw/zinc/71/01/29/1351710129.db2.gz LDIDPKGAFSPOLH-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589997409 1349099544 /nfs/dbraw/zinc/09/95/44/1349099544.db2.gz LZSMIFOMQJTCFQ-MNOVXSKESA-N -1 1 336.827 2.435 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589997409 1349099551 /nfs/dbraw/zinc/09/95/51/1349099551.db2.gz LZSMIFOMQJTCFQ-MNOVXSKESA-N -1 1 336.827 2.435 20 0 EEADMM Fc1ccc(OCc2noc(-c3coc(-c4nnn[n-]4)c3)n2)cc1 ZINC001592652377 1349697091 /nfs/dbraw/zinc/69/70/91/1349697091.db2.gz IFHCRMIPNIOVLM-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1ccc(OCc2noc(-c3coc(-c4nn[n-]n4)c3)n2)cc1 ZINC001592652377 1349697099 /nfs/dbraw/zinc/69/70/99/1349697099.db2.gz IFHCRMIPNIOVLM-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1ccc(OCc2ccc(C(F)(F)F)cn2)c(-c2nn[n-]n2)n1 ZINC001592652259 1349697298 /nfs/dbraw/zinc/69/72/98/1349697298.db2.gz ADUYZFDQQSMJLH-UHFFFAOYSA-N -1 1 340.240 2.394 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1C1CC1 ZINC001600082925 1349967646 /nfs/dbraw/zinc/96/76/46/1349967646.db2.gz GPDNJVXOLWCSJF-LBPRGKRZSA-N -1 1 333.432 2.061 20 0 EEADMM O=C([O-])c1cc(Br)oc1CN1CC[C@@]2(CCOC2)C1 ZINC001602241741 1350474018 /nfs/dbraw/zinc/47/40/18/1350474018.db2.gz WOZSGGUYDLKJQI-CYBMUJFWSA-N -1 1 330.178 2.353 20 0 EEADMM Brc1cscc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001602680491 1350572194 /nfs/dbraw/zinc/57/21/94/1350572194.db2.gz HIJHNDKMLCPQAN-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM CC(C)Oc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)ccn1 ZINC001603358725 1350694980 /nfs/dbraw/zinc/69/49/80/1350694980.db2.gz LKFDKRZHMYBZIM-UHFFFAOYSA-N -1 1 339.315 2.359 20 0 EEADMM COc1cccc(CN(CC(C)C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001605317240 1351134523 /nfs/dbraw/zinc/13/45/23/1351134523.db2.gz VTAHWCYPKLUVIQ-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM COc1cccc(CN(CC(C)C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001605317240 1351134526 /nfs/dbraw/zinc/13/45/26/1351134526.db2.gz VTAHWCYPKLUVIQ-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM Fc1ccc(Oc2ncnc3c(F)cccc23)c(-c2nn[n-]n2)n1 ZINC001606323992 1351292740 /nfs/dbraw/zinc/29/27/40/1351292740.db2.gz ZNSSXCGTFCCUCW-UHFFFAOYSA-N -1 1 327.254 2.275 20 0 EEADMM Cc1nc(SCCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)n[nH]1 ZINC001301707769 1331309641 /nfs/dbraw/zinc/30/96/41/1331309641.db2.gz TZHUJTRGQVACRF-UHFFFAOYSA-N -1 1 344.400 2.125 20 0 EEADMM O=C([O-])CC1CCN(Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC001608698195 1351744470 /nfs/dbraw/zinc/74/44/70/1351744470.db2.gz QWRGVWXOTKHAHY-UHFFFAOYSA-N -1 1 333.310 2.104 20 0 EEADMM O=C([O-])Cc1ccccc1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC001608789700 1351764037 /nfs/dbraw/zinc/76/40/37/1351764037.db2.gz 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ZINC001609084318 1351835444 /nfs/dbraw/zinc/83/54/44/1351835444.db2.gz USICXIVLSGMHNR-AWEZNQCLSA-N -1 1 338.415 2.476 20 0 EEADMM Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc2cncn2c1C ZINC001323574406 1333490954 /nfs/dbraw/zinc/49/09/54/1333490954.db2.gz GZGSYJDANPKNAU-UHFFFAOYSA-N -1 1 335.410 2.131 20 0 EEADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC001609121063 1351851417 /nfs/dbraw/zinc/85/14/17/1351851417.db2.gz DYDDETYNYRGJJU-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)C(=O)NCC(F)(F)F ZINC001609137792 1351857792 /nfs/dbraw/zinc/85/77/92/1351857792.db2.gz LTGLQFFZSVZGKJ-ZCFIWIBFSA-N -1 1 349.313 2.165 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC001609143967 1351859669 /nfs/dbraw/zinc/85/96/69/1351859669.db2.gz CYAAGEPFMPFHDE-LLVKDONJSA-N -1 1 333.367 2.082 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC001609143967 1351859675 /nfs/dbraw/zinc/85/96/75/1351859675.db2.gz CYAAGEPFMPFHDE-LLVKDONJSA-N -1 1 333.367 2.082 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC001324887863 1333780996 /nfs/dbraw/zinc/78/09/96/1333780996.db2.gz QJYJXJOFUKBZKO-UHFFFAOYSA-N -1 1 333.306 2.456 20 0 EEADMM NC(=O)c1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC001325091819 1333827416 /nfs/dbraw/zinc/82/74/16/1333827416.db2.gz SFXDUKVOHWTWKG-UHFFFAOYSA-N -1 1 326.139 2.445 20 0 EEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC001609168915 1351874778 /nfs/dbraw/zinc/87/47/78/1351874778.db2.gz RBTYZYSFIBHORN-JTQLQIEISA-N -1 1 327.417 2.142 20 0 EEADMM C[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC001609168915 1351874783 /nfs/dbraw/zinc/87/47/83/1351874783.db2.gz RBTYZYSFIBHORN-JTQLQIEISA-N -1 1 327.417 2.142 20 0 EEADMM CSc1cccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c1 ZINC001325819606 1333967255 /nfs/dbraw/zinc/96/72/55/1333967255.db2.gz FOYYEAMXGLYNLK-UHFFFAOYSA-N -1 1 334.426 2.491 20 0 EEADMM CCCC(O)(CCC)CC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609205464 1351890260 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CN1C(=O)Cc2cc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc21 ZINC001609282555 1351921597 /nfs/dbraw/zinc/92/15/97/1351921597.db2.gz FZQFPCKNGGCKKV-UHFFFAOYSA-N -1 1 341.762 2.178 20 0 EEADMM Cc1ccc(CSCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001609424290 1351971484 /nfs/dbraw/zinc/97/14/84/1351971484.db2.gz AIYYYTSECXQLNL-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM Cc1ccc(CSCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001609424290 1351971485 /nfs/dbraw/zinc/97/14/85/1351971485.db2.gz AIYYYTSECXQLNL-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM Cn1ccc2c1cccc2C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609480161 1351992659 /nfs/dbraw/zinc/99/26/59/1351992659.db2.gz PMXQSFASEUMPTM-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Cn1ccc2c1cccc2C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609480161 1351992661 /nfs/dbraw/zinc/99/26/61/1351992661.db2.gz PMXQSFASEUMPTM-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Fc1cc(CNc2cnc(-c3nnn[n-]3)cn2)ccc1OC(F)F ZINC001609489206 1351996006 /nfs/dbraw/zinc/99/60/06/1351996006.db2.gz WZJVREVVGOAQDD-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(CNc2cnc(-c3nn[n-]n3)cn2)ccc1OC(F)F ZINC001609489206 1351996008 /nfs/dbraw/zinc/99/60/08/1351996008.db2.gz WZJVREVVGOAQDD-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1ccccc1N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609492373 1351997471 /nfs/dbraw/zinc/99/74/71/1351997471.db2.gz ADGIRMLVQHAHEO-LLVKDONJSA-N -1 1 325.351 2.092 20 0 EEADMM Fc1ccccc1N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609492373 1351997473 /nfs/dbraw/zinc/99/74/73/1351997473.db2.gz ADGIRMLVQHAHEO-LLVKDONJSA-N -1 1 325.351 2.092 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001609552747 1352014513 /nfs/dbraw/zinc/01/45/13/1352014513.db2.gz OKVNATDXMWINOD-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001609552747 1352014516 /nfs/dbraw/zinc/01/45/16/1352014516.db2.gz OKVNATDXMWINOD-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2c(F)ccnc2F)c(=O)[n-]1 ZINC001332452148 1335826591 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EEADMM CCO/C=C/[C@](O)(CNC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000848181827 1338557593 /nfs/dbraw/zinc/55/75/93/1338557593.db2.gz CSVNHHDYLKOTAQ-GFUIURDCSA-N -1 1 337.269 2.105 20 0 EEADMM C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001610392363 1352215362 /nfs/dbraw/zinc/21/53/62/1352215362.db2.gz JHRDGXFDXUYUEX-OAHLLOKOSA-N -1 1 327.428 2.430 20 0 EEADMM Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@H](C(=O)[O-])[C@H]3C)c2C)no1 ZINC001610429860 1352221311 /nfs/dbraw/zinc/22/13/11/1352221311.db2.gz IXMWYSQDOHJDFT-OCCSQVGLSA-N -1 1 345.399 2.368 20 0 EEADMM Cc1cc(CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)n[nH]1 ZINC001610458898 1352226455 /nfs/dbraw/zinc/22/64/55/1352226455.db2.gz GBOXWPDJKJTMEA-UHFFFAOYSA-N -1 1 341.323 2.357 20 0 EEADMM Cc1cc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC001610461752 1352226746 /nfs/dbraw/zinc/22/67/46/1352226746.db2.gz OBUZSCVHLSARAD-HOCLYGCPSA-N -1 1 328.368 2.202 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C)(CO)CC1 ZINC001610487047 1352231040 /nfs/dbraw/zinc/23/10/40/1352231040.db2.gz PSNFMUQXBPTFEI-CYBMUJFWSA-N -1 1 334.416 2.115 20 0 EEADMM COC(=O)c1sc(C)cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000849308613 1339151934 /nfs/dbraw/zinc/15/19/34/1339151934.db2.gz RBXBLZLVTUAXNI-SNVBAGLBSA-N -1 1 333.431 2.011 20 0 EEADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1-n1nnnc1C(C)C ZINC001611502828 1352301947 /nfs/dbraw/zinc/30/19/47/1352301947.db2.gz UHPYCCMBCNTXKJ-UHFFFAOYSA-N -1 1 338.371 2.447 20 0 EEADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@H](F)CC1CCCCC1 ZINC001432303207 1341256201 /nfs/dbraw/zinc/25/62/01/1341256201.db2.gz ZWELIVXNIRWBDI-CQSZACIVSA-N -1 1 349.406 2.036 20 0 EEADMM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)CCCc1nn[n-]n1 ZINC001434432161 1341843413 /nfs/dbraw/zinc/84/34/13/1341843413.db2.gz SUGSXNPJZTWWEU-CYBMUJFWSA-N -1 1 331.424 2.006 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)[nH]1 ZINC001574812873 1343704331 /nfs/dbraw/zinc/70/43/31/1343704331.db2.gz FUJGCRWRAUIPQW-UHFFFAOYSA-N -1 1 327.384 2.107 20 0 EEADMM CCCC(=O)N[C@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203274 1344104715 /nfs/dbraw/zinc/10/47/15/1344104715.db2.gz UNIBUSNZJSXWHZ-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)NC[C@@H](CC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577213856 1344107487 /nfs/dbraw/zinc/10/74/87/1344107487.db2.gz QCLRCTYJXHELEW-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)NC[C@@H](CC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577213856 1344107492 /nfs/dbraw/zinc/10/74/92/1344107492.db2.gz QCLRCTYJXHELEW-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCN(CCNc1snc(C)c1-c1nn[n-]n1)C(=O)C1CCCC1 ZINC001578168151 1344244186 /nfs/dbraw/zinc/24/41/86/1344244186.db2.gz XJRSCTDFSWUOSA-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CCSC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001578417704 1344276806 /nfs/dbraw/zinc/27/68/06/1344276806.db2.gz VCCAYWVWFYEPQX-UHFFFAOYSA-N -1 1 338.462 2.013 20 0 EEADMM CN(Cc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579263330 1344360976 /nfs/dbraw/zinc/36/09/76/1344360976.db2.gz UFYZRXMUPKZKMJ-UHFFFAOYSA-N -1 1 327.323 2.065 20 0 EEADMM CN(Cc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579263330 1344360982 /nfs/dbraw/zinc/36/09/82/1344360982.db2.gz UFYZRXMUPKZKMJ-UHFFFAOYSA-N -1 1 327.323 2.065 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579267266 1344361775 /nfs/dbraw/zinc/36/17/75/1344361775.db2.gz GEUYKDDDGLLVAB-UHFFFAOYSA-N -1 1 349.354 2.122 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579267266 1344361780 /nfs/dbraw/zinc/36/17/80/1344361780.db2.gz GEUYKDDDGLLVAB-UHFFFAOYSA-N -1 1 349.354 2.122 20 0 EEADMM CO[C@@H](Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccc(Cl)cc1 ZINC001579596448 1344398062 /nfs/dbraw/zinc/39/80/62/1344398062.db2.gz RSJCSXKOWIQBQG-ZDUSSCGKSA-N -1 1 331.763 2.070 20 0 EEADMM COc1cc(Cl)cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001579929492 1344433748 /nfs/dbraw/zinc/43/37/48/1344433748.db2.gz NJVDZZVKVRRSGC-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cc(Cl)cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001579929492 1344433753 /nfs/dbraw/zinc/43/37/53/1344433753.db2.gz NJVDZZVKVRRSGC-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1SC ZINC001580044350 1344456805 /nfs/dbraw/zinc/45/68/05/1344456805.db2.gz XYDPAZFVYMZUAQ-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1SC ZINC001580044350 1344456810 /nfs/dbraw/zinc/45/68/10/1344456810.db2.gz XYDPAZFVYMZUAQ-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1ncc(NC(=O)C=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC001580133071 1344477897 /nfs/dbraw/zinc/47/78/97/1344477897.db2.gz FWMUYDFLLODABT-VOTSOKGWSA-N -1 1 340.318 2.061 20 0 EEADMM Cc1nsc(NC/C=C\CNC(=O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001581714303 1344657585 /nfs/dbraw/zinc/65/75/85/1344657585.db2.gz LPJMRBNADQIYKP-WAYWQWQTSA-N -1 1 349.464 2.152 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001581745729 1344660458 /nfs/dbraw/zinc/66/04/58/1344660458.db2.gz RFCTTZYUWCRAJE-OLZOCXBDSA-N -1 1 343.778 2.252 20 0 EEADMM O=C(CCCOc1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582047279 1344695299 /nfs/dbraw/zinc/69/52/99/1344695299.db2.gz XNHOCJVDCWXYRI-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(CCCOc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582047279 1344695304 /nfs/dbraw/zinc/69/53/04/1344695304.db2.gz XNHOCJVDCWXYRI-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCSc2ccncc21 ZINC001582745317 1344788732 /nfs/dbraw/zinc/78/87/32/1344788732.db2.gz ZKUWDOUWFWCBLJ-UHFFFAOYSA-N -1 1 330.398 2.076 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccccc1CF)CCC2 ZINC001582806854 1344794086 /nfs/dbraw/zinc/79/40/86/1344794086.db2.gz SOFMFKFIJCOSEX-UHFFFAOYSA-N -1 1 325.347 2.035 20 0 EEADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000091729005 1357274929 /nfs/dbraw/zinc/27/49/29/1357274929.db2.gz SAYGWLHXJYAHNI-MWLCHTKSSA-N -1 1 342.189 2.226 20 0 EEADMM CC(C)(C)CCNC(=O)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001589127263 1348963355 /nfs/dbraw/zinc/96/33/55/1348963355.db2.gz FUBBDUUEUKBPRI-UHFFFAOYSA-N -1 1 340.478 2.109 20 0 EEADMM CC(C)(C)CCNC(=O)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001589127263 1348963358 /nfs/dbraw/zinc/96/33/58/1348963358.db2.gz FUBBDUUEUKBPRI-UHFFFAOYSA-N -1 1 340.478 2.109 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001589193285 1348967747 /nfs/dbraw/zinc/96/77/47/1348967747.db2.gz PESJPJASJFPSAZ-KBPBESRZSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001589193285 1348967749 /nfs/dbraw/zinc/96/77/49/1348967749.db2.gz PESJPJASJFPSAZ-KBPBESRZSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)CCc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)n[nH]1 ZINC001589609262 1349010101 /nfs/dbraw/zinc/01/01/01/1349010101.db2.gz DUGDPUFTRPJMMB-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM CC(C)CCc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)n[nH]1 ZINC001589609262 1349010103 /nfs/dbraw/zinc/01/01/03/1349010103.db2.gz DUGDPUFTRPJMMB-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM CC(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@@H](C)C1 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2.222 20 0 EEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001589946393 1349074715 /nfs/dbraw/zinc/07/47/15/1349074715.db2.gz PFMOBNRZMUPDDJ-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC001589986028 1349093581 /nfs/dbraw/zinc/09/35/81/1349093581.db2.gz UZNFKGHNWQXFHR-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC001589986028 1349093587 /nfs/dbraw/zinc/09/35/87/1349093587.db2.gz UZNFKGHNWQXFHR-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM C[C@]1(Br)C[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590055031 1349133316 /nfs/dbraw/zinc/13/33/16/1349133316.db2.gz OVSYXNUDRCFMLG-KBUNVGBDSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@]1(Br)C[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590055031 1349133318 /nfs/dbraw/zinc/13/33/18/1349133318.db2.gz OVSYXNUDRCFMLG-KBUNVGBDSA-N -1 1 343.206 2.259 20 0 EEADMM CC1(C)C[C@@]1(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590086347 1349145779 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C[C@@H]1CC2(CC(Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CO1 ZINC001590220791 1349207555 /nfs/dbraw/zinc/20/75/55/1349207555.db2.gz ALYWXDXXHQODQX-VZZNTGOHSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@@H]1CC2(CC(Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CO1 ZINC001590220791 1349207561 /nfs/dbraw/zinc/20/75/61/1349207561.db2.gz ALYWXDXXHQODQX-VZZNTGOHSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001590242781 1349222320 /nfs/dbraw/zinc/22/23/20/1349222320.db2.gz HQJDWAJIJZXXID-VXGBXAGGSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001590242781 1349222328 /nfs/dbraw/zinc/22/23/28/1349222328.db2.gz HQJDWAJIJZXXID-VXGBXAGGSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCc2ccccc21 ZINC001590297323 1349250423 /nfs/dbraw/zinc/25/04/23/1349250423.db2.gz CKWIEFHMQICIQM-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCc2ccccc21 ZINC001590297323 1349250428 /nfs/dbraw/zinc/25/04/28/1349250428.db2.gz CKWIEFHMQICIQM-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590355965 1349281870 /nfs/dbraw/zinc/28/18/70/1349281870.db2.gz WUVSDKQGDOEJSF-ZZKXABKFSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590355965 1349281882 /nfs/dbraw/zinc/28/18/82/1349281882.db2.gz WUVSDKQGDOEJSF-ZZKXABKFSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590421138 1349316569 /nfs/dbraw/zinc/31/65/69/1349316569.db2.gz GAZBTYPFMPEEDB-ZETCQYMHSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590421138 1349316576 /nfs/dbraw/zinc/31/65/76/1349316576.db2.gz GAZBTYPFMPEEDB-ZETCQYMHSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC001590459414 1349337338 /nfs/dbraw/zinc/33/73/38/1349337338.db2.gz IVQAKVCLGIMAFD-VIFPVBQESA-N -1 1 337.343 2.217 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC001590459414 1349337343 /nfs/dbraw/zinc/33/73/43/1349337343.db2.gz IVQAKVCLGIMAFD-VIFPVBQESA-N -1 1 337.343 2.217 20 0 EEADMM CC[C@@H]1C[C@H](C)CN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502518 1349357109 /nfs/dbraw/zinc/35/71/09/1349357109.db2.gz BMRWILINCLFNLZ-CMPLNLGQSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@@H]1C[C@H](C)CN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502518 1349357114 /nfs/dbraw/zinc/35/71/14/1349357114.db2.gz BMRWILINCLFNLZ-CMPLNLGQSA-N -1 1 342.407 2.363 20 0 EEADMM CCCCn1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1C ZINC001590616731 1349376468 /nfs/dbraw/zinc/37/64/68/1349376468.db2.gz CJVQQNXHNLGNAF-UHFFFAOYSA-N -1 1 330.348 2.122 20 0 EEADMM CCCCn1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1C ZINC001590616731 1349376471 /nfs/dbraw/zinc/37/64/71/1349376471.db2.gz CJVQQNXHNLGNAF-UHFFFAOYSA-N -1 1 330.348 2.122 20 0 EEADMM CCO[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001590785606 1349399291 /nfs/dbraw/zinc/39/92/91/1349399291.db2.gz NGYPTDMGPXIDKO-ZDUSSCGKSA-N -1 1 343.412 2.436 20 0 EEADMM CCO[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001590785606 1349399297 /nfs/dbraw/zinc/39/92/97/1349399297.db2.gz NGYPTDMGPXIDKO-ZDUSSCGKSA-N -1 1 343.412 2.436 20 0 EEADMM CCc1nc(Cl)c(C)c(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590914048 1349410469 /nfs/dbraw/zinc/41/04/69/1349410469.db2.gz ZCDCPDOJJAFMES-UHFFFAOYSA-N -1 1 336.812 2.250 20 0 EEADMM CCc1nc(Cl)c(C)c(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590914048 1349410479 /nfs/dbraw/zinc/41/04/79/1349410479.db2.gz ZCDCPDOJJAFMES-UHFFFAOYSA-N -1 1 336.812 2.250 20 0 EEADMM CCc1nn(C[C@@H]2CCC[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929538 1349415967 /nfs/dbraw/zinc/41/59/67/1349415967.db2.gz BNGOHIZJOPOBTG-VXGBXAGGSA-N -1 1 330.436 2.375 20 0 EEADMM COCC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccco1 ZINC001591400122 1349481110 /nfs/dbraw/zinc/48/11/10/1349481110.db2.gz MJQDYNPLMMUNJG-SNVBAGLBSA-N -1 1 333.373 2.029 20 0 EEADMM COCC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccco1 ZINC001591400122 1349481119 /nfs/dbraw/zinc/48/11/19/1349481119.db2.gz MJQDYNPLMMUNJG-SNVBAGLBSA-N -1 1 333.373 2.029 20 0 EEADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ccccc1CC(C)C ZINC001591474804 1349488479 /nfs/dbraw/zinc/48/84/79/1349488479.db2.gz IONZZXQIQFTAQR-UHFFFAOYSA-N -1 1 339.399 2.284 20 0 EEADMM COc1ccccc1C(C)(C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591646970 1349524017 /nfs/dbraw/zinc/52/40/17/1349524017.db2.gz QQLMSFAVIABDCB-UHFFFAOYSA-N -1 1 330.417 2.357 20 0 EEADMM COc1ccccc1C(C)(C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591646970 1349524021 /nfs/dbraw/zinc/52/40/21/1349524021.db2.gz QQLMSFAVIABDCB-UHFFFAOYSA-N -1 1 330.417 2.357 20 0 EEADMM CSc1cccnc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001591717605 1349534297 /nfs/dbraw/zinc/53/42/97/1349534297.db2.gz QSBIJQGNILZKRO-UHFFFAOYSA-N -1 1 338.356 2.096 20 0 EEADMM CSc1cccnc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001591717605 1349534309 /nfs/dbraw/zinc/53/43/09/1349534309.db2.gz QSBIJQGNILZKRO-UHFFFAOYSA-N -1 1 338.356 2.096 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001591992561 1349578159 /nfs/dbraw/zinc/57/81/59/1349578159.db2.gz PSDCWXMWITXNBL-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001591992561 1349578167 /nfs/dbraw/zinc/57/81/67/1349578167.db2.gz PSDCWXMWITXNBL-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(N2C[C@H](C(F)(F)F)OC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001591999764 1349581013 /nfs/dbraw/zinc/58/10/13/1349581013.db2.gz SXRXRFKZDLFHFP-LLVKDONJSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(N2C[C@H](C(F)(F)F)OC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001591999764 1349581016 /nfs/dbraw/zinc/58/10/16/1349581016.db2.gz SXRXRFKZDLFHFP-LLVKDONJSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)cn2c1 ZINC001592071766 1349588805 /nfs/dbraw/zinc/58/88/05/1349588805.db2.gz JEJMELINYKDCIW-UHFFFAOYSA-N -1 1 338.396 2.419 20 0 EEADMM Cc1ccc([C@@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001592196234 1349603800 /nfs/dbraw/zinc/60/38/00/1349603800.db2.gz IFVQUKFLXAWBRT-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2cc(C)ccc21 ZINC001592205082 1349608189 /nfs/dbraw/zinc/60/81/89/1349608189.db2.gz IBRXOIZXEPDYRJ-UHFFFAOYSA-N -1 1 325.328 2.116 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2cc(C)ccc21 ZINC001592205082 1349608194 /nfs/dbraw/zinc/60/81/94/1349608194.db2.gz IBRXOIZXEPDYRJ-UHFFFAOYSA-N -1 1 325.328 2.116 20 0 EEADMM Cc1nsc(N(C)Cc2ccc([S@@](C)=O)cc2)c1-c1nn[n-]n1 ZINC001592469297 1349634715 /nfs/dbraw/zinc/63/47/15/1349634715.db2.gz OOOBFNRRRDJCJF-HSZRJFAPSA-N -1 1 348.457 2.005 20 0 EEADMM Cc1nsc(NC(=O)N2CCCC3(CC3)CC2)c1-c1nnn[n-]1 ZINC001592479452 1349635650 /nfs/dbraw/zinc/63/56/50/1349635650.db2.gz BNECCMIBFKPYJY-UHFFFAOYSA-N -1 1 333.421 2.430 20 0 EEADMM Cc1nsc(NC(=O)N2CCCC3(CC3)CC2)c1-c1nn[n-]n1 ZINC001592479452 1349635652 /nfs/dbraw/zinc/63/56/52/1349635652.db2.gz BNECCMIBFKPYJY-UHFFFAOYSA-N -1 1 333.421 2.430 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2nccc3[nH]ccc32)no1 ZINC001592496329 1349637205 /nfs/dbraw/zinc/63/72/05/1349637205.db2.gz WRXDDPIDTRUKLD-UHFFFAOYSA-N -1 1 334.299 2.361 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2nccc3[nH]ccc32)no1 ZINC001592496329 1349637206 /nfs/dbraw/zinc/63/72/06/1349637206.db2.gz WRXDDPIDTRUKLD-UHFFFAOYSA-N -1 1 334.299 2.361 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@]1(C)C[C@@H]1F ZINC001592505664 1349642851 /nfs/dbraw/zinc/64/28/51/1349642851.db2.gz BXHIRGYYUHPVOL-MGPLVRAMSA-N -1 1 345.334 2.464 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@]1(C)C[C@@H]1F ZINC001592505664 1349642853 /nfs/dbraw/zinc/64/28/53/1349642853.db2.gz BXHIRGYYUHPVOL-MGPLVRAMSA-N -1 1 345.334 2.464 20 0 EEADMM Clc1nsc(N2CCC[C@H](OCC3CC3)C2)c1-c1nnn[n-]1 ZINC001592538564 1349652284 /nfs/dbraw/zinc/65/22/84/1349652284.db2.gz XLZUGUFGRJPTDP-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC[C@H](OCC3CC3)C2)c1-c1nn[n-]n1 ZINC001592538564 1349652287 /nfs/dbraw/zinc/65/22/87/1349652287.db2.gz XLZUGUFGRJPTDP-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nc(N2CCC[C@@H](c3cc[nH]n3)C2)sc1-c1nnn[n-]1 ZINC001592540632 1349652700 /nfs/dbraw/zinc/65/27/00/1349652700.db2.gz PBLHUQXPIQXQAF-SSDOTTSWSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1nc(N2CCC[C@@H](c3cc[nH]n3)C2)sc1-c1nn[n-]n1 ZINC001592540632 1349652704 /nfs/dbraw/zinc/65/27/04/1349652704.db2.gz PBLHUQXPIQXQAF-SSDOTTSWSA-N -1 1 336.812 2.084 20 0 EEADMM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccsc1-c1nnn[n-]1 ZINC001592567369 1349659255 /nfs/dbraw/zinc/65/92/55/1349659255.db2.gz XFZOGTYQOXWALJ-UHFFFAOYSA-N -1 1 332.389 2.284 20 0 EEADMM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccsc1-c1nn[n-]n1 ZINC001592567369 1349659258 /nfs/dbraw/zinc/65/92/58/1349659258.db2.gz XFZOGTYQOXWALJ-UHFFFAOYSA-N -1 1 332.389 2.284 20 0 EEADMM FC(F)(F)[C@H](C[C@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)o1 ZINC001592612280 1349669642 /nfs/dbraw/zinc/66/96/42/1349669642.db2.gz CVTLWYJQOFSYNP-KCJUWKMLSA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)[C@H](C[C@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)o1 ZINC001592612280 1349669644 /nfs/dbraw/zinc/66/96/44/1349669644.db2.gz CVTLWYJQOFSYNP-KCJUWKMLSA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)c1cc(NCC[C@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592618268 1349673305 /nfs/dbraw/zinc/67/33/05/1349673305.db2.gz NHZJGMNPLRZREJ-QMMMGPOBSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cc(NCC[C@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592618268 1349673308 /nfs/dbraw/zinc/67/33/08/1349673308.db2.gz NHZJGMNPLRZREJ-QMMMGPOBSA-N -1 1 328.298 2.119 20 0 EEADMM Fc1ccc2c(c1)OCCN2c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592654430 1349698526 /nfs/dbraw/zinc/69/85/26/1349698526.db2.gz IXFSTYIHZKIISQ-UHFFFAOYSA-N -1 1 339.334 2.204 20 0 EEADMM Fc1ccc2c(c1)OCCN2c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592654430 1349698529 /nfs/dbraw/zinc/69/85/29/1349698529.db2.gz IXFSTYIHZKIISQ-UHFFFAOYSA-N -1 1 339.334 2.204 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592654395 1349698845 /nfs/dbraw/zinc/69/88/45/1349698845.db2.gz IXHNRKNMOHKIAQ-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592654395 1349698849 /nfs/dbraw/zinc/69/88/49/1349698849.db2.gz IXHNRKNMOHKIAQ-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592950385 1349729042 /nfs/dbraw/zinc/72/90/42/1349729042.db2.gz XBKDSXZDICFJSP-GFCCVEGCSA-N -1 1 332.795 2.224 20 0 EEADMM O=C(NCC[C@@H]1CCc2ccccc2N1)c1coc(-c2nnn[n-]2)c1 ZINC001593066156 1349736111 /nfs/dbraw/zinc/73/61/11/1349736111.db2.gz XPNYPNDUGPJBOU-ZDUSSCGKSA-N -1 1 338.371 2.007 20 0 EEADMM O=C(NCC[C@@H]1CCc2ccccc2N1)c1coc(-c2nn[n-]n2)c1 ZINC001593066156 1349736114 /nfs/dbraw/zinc/73/61/14/1349736114.db2.gz XPNYPNDUGPJBOU-ZDUSSCGKSA-N -1 1 338.371 2.007 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1Cc2ccc(Cl)cc2C1 ZINC001593244585 1349749613 /nfs/dbraw/zinc/74/96/13/1349749613.db2.gz UEOFDBCKLOSMRM-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1Cc2ccc(Cl)cc2C1 ZINC001593244585 1349749618 /nfs/dbraw/zinc/74/96/18/1349749618.db2.gz UEOFDBCKLOSMRM-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593247486 1349749883 /nfs/dbraw/zinc/74/98/83/1349749883.db2.gz HSMPTXVHGPCFST-UHFFFAOYSA-N -1 1 340.274 2.105 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593247486 1349749887 /nfs/dbraw/zinc/74/98/87/1349749887.db2.gz HSMPTXVHGPCFST-UHFFFAOYSA-N -1 1 340.274 2.105 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593255057 1349751451 /nfs/dbraw/zinc/75/14/51/1349751451.db2.gz BZBQFSNTXREHRT-RYUDHWBXSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001593255057 1349751456 /nfs/dbraw/zinc/75/14/56/1349751456.db2.gz BZBQFSNTXREHRT-RYUDHWBXSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(O[C@H]1CCc2ccc(F)cc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281727 1349760813 /nfs/dbraw/zinc/76/08/13/1349760813.db2.gz YIJFVSUTGVHOSM-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@H]1CCc2ccc(F)cc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281727 1349760814 /nfs/dbraw/zinc/76/08/14/1349760814.db2.gz YIJFVSUTGVHOSM-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccsc1-c1nnn[n-]1 ZINC001593285919 1349762842 /nfs/dbraw/zinc/76/28/42/1349762842.db2.gz ZYVVMFRXDHPETL-HTRCEHHLSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OC[C@H]1CC[C@H](C(F)(F)F)O1)c1ccsc1-c1nn[n-]n1 ZINC001593285919 1349762847 /nfs/dbraw/zinc/76/28/47/1349762847.db2.gz ZYVVMFRXDHPETL-HTRCEHHLSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593291334 1349767924 /nfs/dbraw/zinc/76/79/24/1349767924.db2.gz KHNPINICUJNYPJ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593291334 1349767931 /nfs/dbraw/zinc/76/79/31/1349767931.db2.gz KHNPINICUJNYPJ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1sccc1-c1nn[n-]n1 ZINC001593306985 1349774840 /nfs/dbraw/zinc/77/48/40/1349774840.db2.gz IMRMPIKAOWOVHD-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593347580 1349787381 /nfs/dbraw/zinc/78/73/81/1349787381.db2.gz AELSKRGZYYCBCJ-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593347580 1349787385 /nfs/dbraw/zinc/78/73/85/1349787385.db2.gz AELSKRGZYYCBCJ-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2c1cccc2Cl ZINC001593358733 1349789265 /nfs/dbraw/zinc/78/92/65/1349789265.db2.gz MDLJVFOAEFECQE-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2c1cccc2Cl ZINC001593358733 1349789270 /nfs/dbraw/zinc/78/92/70/1349789270.db2.gz MDLJVFOAEFECQE-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM OCC[C@@H]1CCCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593528974 1349831375 /nfs/dbraw/zinc/83/13/75/1349831375.db2.gz CNGNMGBXZMCHFA-QMMMGPOBSA-N -1 1 328.829 2.108 20 0 EEADMM OCC[C@@H]1CCCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593528974 1349831378 /nfs/dbraw/zinc/83/13/78/1349831378.db2.gz CNGNMGBXZMCHFA-QMMMGPOBSA-N -1 1 328.829 2.108 20 0 EEADMM c1ccc(-c2cnc(CNc3cccc(-c4nnn[n-]4)n3)nc2)cc1 ZINC001593568734 1349854507 /nfs/dbraw/zinc/85/45/07/1349854507.db2.gz ZOKNITPSXDTSTC-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cnc(CNc3cccc(-c4nn[n-]n4)n3)nc2)cc1 ZINC001593568734 1349854512 /nfs/dbraw/zinc/85/45/12/1349854512.db2.gz ZOKNITPSXDTSTC-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1cn(Cc2cccc(OCc3ccccn3)c2)c(-c2nnn[n-]2)n1 ZINC001593574658 1349858398 /nfs/dbraw/zinc/85/83/98/1349858398.db2.gz HBJOBKGKYJQXJQ-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2cccc(OCc3ccccn3)c2)c(-c2nn[n-]n2)n1 ZINC001593574658 1349858403 /nfs/dbraw/zinc/85/84/03/1349858403.db2.gz HBJOBKGKYJQXJQ-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM CCc1ccc(CN2CCN(c3nc(C)cc(C(=O)[O-])n3)CC2)cc1 ZINC001597527995 1349927341 /nfs/dbraw/zinc/92/73/41/1349927341.db2.gz UTLUPJJMICLCPW-UHFFFAOYSA-N -1 1 340.427 2.368 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001600120217 1349974495 /nfs/dbraw/zinc/97/44/95/1349974495.db2.gz HVDXAXNDPAREHT-GJZGRUSLSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001600120217 1349974500 /nfs/dbraw/zinc/97/45/00/1349974500.db2.gz HVDXAXNDPAREHT-GJZGRUSLSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1cc(CN2CCCC[C@@H]2C2OCCO2)cc(C)c1OCC(=O)[O-] ZINC001600194165 1349990130 /nfs/dbraw/zinc/99/01/30/1349990130.db2.gz AWMPRCYNBZBPPC-MRXNPFEDSA-N -1 1 349.427 2.494 20 0 EEADMM Cc1cc(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)[nH]c1C(=O)[O-] ZINC001600203719 1349992474 /nfs/dbraw/zinc/99/24/74/1349992474.db2.gz TYNGOAJNPRNKMC-CHWSQXEVSA-N -1 1 341.411 2.477 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)n[nH]2)cc1C ZINC001600312200 1350017882 /nfs/dbraw/zinc/01/78/82/1350017882.db2.gz HYPWKOYVONXEJY-LRDDRELGSA-N -1 1 343.383 2.008 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@](CO)(C(C)C)C1 ZINC001600351493 1350026324 /nfs/dbraw/zinc/02/63/24/1350026324.db2.gz BOWKOKDAXAFDTC-AUUYWEPGSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc(CN(CCO)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001600411967 1350044151 /nfs/dbraw/zinc/04/41/51/1350044151.db2.gz YMLYTHQELZDGHE-UHFFFAOYSA-N -1 1 329.396 2.453 20 0 EEADMM Cc1ccc(CN2CCc3nc[nH]c3C23CCOCC3)cc1C(=O)[O-] ZINC001600416074 1350045871 /nfs/dbraw/zinc/04/58/71/1350045871.db2.gz QAYHRWOJIBLKJX-UHFFFAOYSA-N -1 1 341.411 2.480 20 0 EEADMM Cc1cccc([C@@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001600514427 1350070315 /nfs/dbraw/zinc/07/03/15/1350070315.db2.gz CLWMWCQYCXIYPS-JKSUJKDBSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)[nH]1 ZINC001600514024 1350070572 /nfs/dbraw/zinc/07/05/72/1350070572.db2.gz BZDATYNBUBAKLY-ZDUSSCGKSA-N -1 1 348.428 2.236 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@@H](C)/C=C\C(=O)[O-])c1 ZINC001600532944 1350075531 /nfs/dbraw/zinc/07/55/31/1350075531.db2.gz FOWCJJHGHPVPGK-HXNUIPBLSA-N -1 1 330.428 2.495 20 0 EEADMM Cc1cccc(CN2CCN(c3nc(C)cc(C(=O)[O-])n3)CC2)c1 ZINC001600533711 1350075625 /nfs/dbraw/zinc/07/56/25/1350075625.db2.gz VEEHCMPZVQMYQT-UHFFFAOYSA-N -1 1 326.400 2.114 20 0 EEADMM Cc1cccc(F)c1S(=O)(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001600535995 1350076040 /nfs/dbraw/zinc/07/60/40/1350076040.db2.gz AVJCUBBNWIVRNH-UHFFFAOYSA-N -1 1 339.344 2.398 20 0 EEADMM Cc1cccc(OC[C@H](O)CNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001600545059 1350079144 /nfs/dbraw/zinc/07/91/44/1350079144.db2.gz SNRJVZHXARESTB-OAHLLOKOSA-N -1 1 333.359 2.362 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001600574243 1350086835 /nfs/dbraw/zinc/08/68/35/1350086835.db2.gz YMUWWGMMQXENJQ-HNNXBMFYSA-N -1 1 330.428 2.034 20 0 EEADMM Cc1cnn(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001600635216 1350103221 /nfs/dbraw/zinc/10/32/21/1350103221.db2.gz AXSOTXQJAODRLS-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CC1 ZINC001600674679 1350114224 /nfs/dbraw/zinc/11/42/24/1350114224.db2.gz KDEOAVWVKFRXHJ-UHFFFAOYSA-N -1 1 330.388 2.381 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC001600746609 1350127085 /nfs/dbraw/zinc/12/70/85/1350127085.db2.gz AKUKLCTZJUPDNW-UHFFFAOYSA-N -1 1 346.286 2.306 20 0 EEADMM Cn1cc(CNCc2cccc(OCC(F)(F)F)n2)cc1C(=O)[O-] ZINC001600955083 1350176384 /nfs/dbraw/zinc/17/63/84/1350176384.db2.gz UZISVUJIEXQMKN-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM Nc1nc(Br)ccc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601219610 1350234412 /nfs/dbraw/zinc/23/44/12/1350234412.db2.gz JWSMEPVIHOSQJB-XRNSZHNASA-N -1 1 340.221 2.111 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001601774078 1350361580 /nfs/dbraw/zinc/36/15/80/1350361580.db2.gz WHDNNVQOMHMMIE-WMZOPIPTSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2O)c2ccc(F)cc2O1 ZINC001601847238 1350380149 /nfs/dbraw/zinc/38/01/49/1350380149.db2.gz XLMWSNHEQGYYIV-ZDUSSCGKSA-N -1 1 335.262 2.163 20 0 EEADMM O=C([O-])COc1ccccc1CN1CCSC2(CCOCC2)C1 ZINC001602096187 1350436620 /nfs/dbraw/zinc/43/66/20/1350436620.db2.gz NYWQYKVXTUDOPR-UHFFFAOYSA-N -1 1 337.441 2.248 20 0 EEADMM O=C([O-])c1cc(C(=O)N(CCN2CCCC2)c2ccccc2)no1 ZINC001602242091 1350474764 /nfs/dbraw/zinc/47/47/64/1350474764.db2.gz OPCWIWKQAPRTLH-UHFFFAOYSA-N -1 1 329.356 2.115 20 0 EEADMM O=C([O-])c1cc(CN2CC[C@](CO)(C(F)(F)F)C2)n2c1CCCC2 ZINC001602257442 1350479570 /nfs/dbraw/zinc/47/95/70/1350479570.db2.gz WLBMDGRXKFEFTD-HNNXBMFYSA-N -1 1 346.349 2.269 20 0 EEADMM O=C([O-])c1cccc2c1CCN(C(=O)N[C@H]1CCCc3cn[nH]c31)C2 ZINC001602455473 1350522985 /nfs/dbraw/zinc/52/29/85/1350522985.db2.gz JDMPGVQZIRGCCI-HNNXBMFYSA-N -1 1 340.383 2.253 20 0 EEADMM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603060422 1350629649 /nfs/dbraw/zinc/62/96/49/1350629649.db2.gz WEFDLTAUDXMPIQ-UHFFFAOYSA-N -1 1 329.451 2.031 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603181238 1350657262 /nfs/dbraw/zinc/65/72/62/1350657262.db2.gz QGILMDHRUCWSAO-WDEREUQCSA-N -1 1 342.848 2.417 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001603430889 1350704182 /nfs/dbraw/zinc/70/41/82/1350704182.db2.gz SVZRHTGYWVPRCO-NSHDSACASA-N -1 1 341.375 2.045 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001603430889 1350704185 /nfs/dbraw/zinc/70/41/85/1350704185.db2.gz SVZRHTGYWVPRCO-NSHDSACASA-N -1 1 341.375 2.045 20 0 EEADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1nc2ccccc2s1 ZINC001603559403 1350719948 /nfs/dbraw/zinc/71/99/48/1350719948.db2.gz FBVJCKSILZLMGB-VIFPVBQESA-N -1 1 338.400 2.482 20 0 EEADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1nc2ccccc2s1 ZINC001603559403 1350719951 /nfs/dbraw/zinc/71/99/51/1350719951.db2.gz FBVJCKSILZLMGB-VIFPVBQESA-N -1 1 338.400 2.482 20 0 EEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001603729151 1350751856 /nfs/dbraw/zinc/75/18/56/1350751856.db2.gz KXCZANANLWGESN-BUBHHJDNSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001603729151 1350751859 /nfs/dbraw/zinc/75/18/59/1350751859.db2.gz KXCZANANLWGESN-BUBHHJDNSA-N -1 1 342.428 2.197 20 0 EEADMM CC1(C)SC[C@@H]1Nc1cc(Br)cnc1-c1nnn[n-]1 ZINC001603795116 1350769297 /nfs/dbraw/zinc/76/92/97/1350769297.db2.gz FUMXTKMJRRPAPR-QMMMGPOBSA-N -1 1 341.238 2.330 20 0 EEADMM CC1(C)SC[C@@H]1Nc1cc(Br)cnc1-c1nn[n-]n1 ZINC001603795116 1350769300 /nfs/dbraw/zinc/76/93/00/1350769300.db2.gz FUMXTKMJRRPAPR-QMMMGPOBSA-N -1 1 341.238 2.330 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603830950 1350778327 /nfs/dbraw/zinc/77/83/27/1350778327.db2.gz RIMPLHKDBZWWAR-SFYZADRCSA-N -1 1 341.297 2.066 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603830950 1350778334 /nfs/dbraw/zinc/77/83/34/1350778334.db2.gz RIMPLHKDBZWWAR-SFYZADRCSA-N -1 1 341.297 2.066 20 0 EEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603868351 1350786841 /nfs/dbraw/zinc/78/68/41/1350786841.db2.gz VYWPSJTWIKVCQR-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603868351 1350786846 /nfs/dbraw/zinc/78/68/46/1350786846.db2.gz VYWPSJTWIKVCQR-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)NCc3nc(-c4nnn[n-]4)cs3)C2)C1 ZINC001603881330 1350790590 /nfs/dbraw/zinc/79/05/90/1350790590.db2.gz LBVMWMFSWKDBJD-ZUZCIYMTSA-N -1 1 347.448 2.045 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)NCc3nc(-c4nn[n-]n4)cs3)C2)C1 ZINC001603881330 1350790593 /nfs/dbraw/zinc/79/05/93/1350790593.db2.gz LBVMWMFSWKDBJD-ZUZCIYMTSA-N -1 1 347.448 2.045 20 0 EEADMM C[C@H]1CCC[C@H](OCC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001603885638 1350792796 /nfs/dbraw/zinc/79/27/96/1350792796.db2.gz DWCJIVVMWUXVDR-ONGXEEELSA-N -1 1 345.407 2.001 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603889771 1350794577 /nfs/dbraw/zinc/79/45/77/1350794577.db2.gz FVSJMFAWHFCNBS-CMPLNLGQSA-N -1 1 335.433 2.388 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603889771 1350794580 /nfs/dbraw/zinc/79/45/80/1350794580.db2.gz FVSJMFAWHFCNBS-CMPLNLGQSA-N -1 1 335.433 2.388 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)C[C@@H](C)C1(F)F ZINC001603926418 1350802951 /nfs/dbraw/zinc/80/29/51/1350802951.db2.gz DDIKAOXPKGMWCH-HTQZYQBOSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)C[C@@H](C)C1(F)F ZINC001603926418 1350802956 /nfs/dbraw/zinc/80/29/56/1350802956.db2.gz DDIKAOXPKGMWCH-HTQZYQBOSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603955974 1350813422 /nfs/dbraw/zinc/81/34/22/1350813422.db2.gz NQXYXZRMXBZLQC-SECBINFHSA-N -1 1 327.319 2.358 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603955974 1350813424 /nfs/dbraw/zinc/81/34/24/1350813424.db2.gz NQXYXZRMXBZLQC-SECBINFHSA-N -1 1 327.319 2.358 20 0 EEADMM CCC(C)(C)[C@@H](C)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001603983379 1350819488 /nfs/dbraw/zinc/81/94/88/1350819488.db2.gz OCZAHYHHROUOHQ-SECBINFHSA-N -1 1 343.478 2.172 20 0 EEADMM CC[C@H](C)[C@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603996484 1350824877 /nfs/dbraw/zinc/82/48/77/1350824877.db2.gz JLTOIQJHCDEMCS-ISVAXAHUSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@H](C)[C@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603996484 1350824881 /nfs/dbraw/zinc/82/48/81/1350824881.db2.gz JLTOIQJHCDEMCS-ISVAXAHUSA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)c1ncc(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)[nH]1 ZINC001604014226 1350830236 /nfs/dbraw/zinc/83/02/36/1350830236.db2.gz ZRKUCPPDHKMYGK-KBXCAEBGSA-N -1 1 327.384 2.408 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001604064310 1350844481 /nfs/dbraw/zinc/84/44/81/1350844481.db2.gz QCJLDXMJBOZDHT-CABZTGNLSA-N -1 1 344.341 2.488 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001604064310 1350844484 /nfs/dbraw/zinc/84/44/84/1350844484.db2.gz QCJLDXMJBOZDHT-CABZTGNLSA-N -1 1 344.341 2.488 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)[C@H]1OC ZINC001604086141 1350851723 /nfs/dbraw/zinc/85/17/23/1350851723.db2.gz PCKCVIKIGCBWLU-CYZMBNFOSA-N -1 1 331.424 2.217 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)[C@H]1OC ZINC001604086141 1350851728 /nfs/dbraw/zinc/85/17/28/1350851728.db2.gz PCKCVIKIGCBWLU-CYZMBNFOSA-N -1 1 331.424 2.217 20 0 EEADMM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604155746 1350877212 /nfs/dbraw/zinc/87/72/12/1350877212.db2.gz KHXGKJCWFLEWNI-WDEREUQCSA-N -1 1 349.464 2.481 20 0 EEADMM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604155746 1350877216 /nfs/dbraw/zinc/87/72/16/1350877216.db2.gz KHXGKJCWFLEWNI-WDEREUQCSA-N -1 1 349.464 2.481 20 0 EEADMM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001604162790 1350879987 /nfs/dbraw/zinc/87/99/87/1350879987.db2.gz JGBGHAZSXGESCQ-SNVBAGLBSA-N -1 1 341.412 2.205 20 0 EEADMM C[C@H](CN(Cc1ccccc1)C(=O)CCN1CC[C@H](F)C1)C(=O)[O-] ZINC001604160722 1350880075 /nfs/dbraw/zinc/88/00/75/1350880075.db2.gz GKGKLCVTPGECAY-ZBFHGGJFSA-N -1 1 336.407 2.170 20 0 EEADMM CCCCCCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001604177168 1350884532 /nfs/dbraw/zinc/88/45/32/1350884532.db2.gz LGRLTZSYPSLHMT-UHFFFAOYSA-N -1 1 326.198 2.371 20 0 EEADMM CCNc1nc(C)c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001604360314 1350923167 /nfs/dbraw/zinc/92/31/67/1350923167.db2.gz PFSQQIDMZPDZTQ-UHFFFAOYSA-N -1 1 349.445 2.055 20 0 EEADMM CCOC(=O)c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)c(F)c1 ZINC001604388006 1350927507 /nfs/dbraw/zinc/92/75/07/1350927507.db2.gz IETNGHLNKUDWTK-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CCOC(=O)c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)c(F)c1 ZINC001604388006 1350927508 /nfs/dbraw/zinc/92/75/08/1350927508.db2.gz IETNGHLNKUDWTK-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)Cc2ccc(OC)cc2)n1 ZINC001604543277 1350958451 /nfs/dbraw/zinc/95/84/51/1350958451.db2.gz DURGIEYBLMXGCH-UHFFFAOYSA-N -1 1 339.403 2.254 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)Cc2ccc(OC)cc2)n1 ZINC001604543277 1350958456 /nfs/dbraw/zinc/95/84/56/1350958456.db2.gz DURGIEYBLMXGCH-UHFFFAOYSA-N -1 1 339.403 2.254 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001604589460 1350965951 /nfs/dbraw/zinc/96/59/51/1350965951.db2.gz PKOLDTSKNDLVQF-NNTXTVRGSA-N -1 1 346.305 2.020 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(=O)[O-])cn3)CC2)C1 ZINC001604734548 1350994050 /nfs/dbraw/zinc/99/40/50/1350994050.db2.gz SPNFRIZHDFVXFG-AWEZNQCLSA-N -1 1 345.443 2.250 20 0 EEADMM C[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1CO ZINC001604757523 1350997931 /nfs/dbraw/zinc/99/79/31/1350997931.db2.gz UJCMVXMBSJMAHV-SWLSCSKDSA-N -1 1 330.384 2.490 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001604766689 1350999008 /nfs/dbraw/zinc/99/90/08/1350999008.db2.gz LBZZNRFSJIBMIP-FFSVYQOJSA-N -1 1 327.384 2.060 20 0 EEADMM CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC001604803497 1351010551 /nfs/dbraw/zinc/01/05/51/1351010551.db2.gz JTFPBMYUTJRZEY-UHFFFAOYSA-N -1 1 345.309 2.123 20 0 EEADMM COC(=O)Nc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC001604952911 1351037854 /nfs/dbraw/zinc/03/78/54/1351037854.db2.gz GCGJAPQJBYIKSM-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COC(=O)Nc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC001604952911 1351037856 /nfs/dbraw/zinc/03/78/56/1351037856.db2.gz GCGJAPQJBYIKSM-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)cc1C ZINC001604966681 1351041013 /nfs/dbraw/zinc/04/10/13/1351041013.db2.gz QJIISYNADKIHAA-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM CO[C@]1(C)CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001605015009 1351054882 /nfs/dbraw/zinc/05/48/82/1351054882.db2.gz FIVDMNCEGQBIJB-QGZVFWFLSA-N -1 1 339.403 2.205 20 0 EEADMM CO[C@]1(C)CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001605015009 1351054883 /nfs/dbraw/zinc/05/48/83/1351054883.db2.gz FIVDMNCEGQBIJB-QGZVFWFLSA-N -1 1 339.403 2.205 20 0 EEADMM CON(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](C)c1ccccc1C ZINC001605139524 1351086564 /nfs/dbraw/zinc/08/65/64/1351086564.db2.gz GWMDMTGGWXFGCI-GFCCVEGCSA-N -1 1 338.371 2.335 20 0 EEADMM CON(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](C)c1ccccc1C ZINC001605139524 1351086569 /nfs/dbraw/zinc/08/65/69/1351086569.db2.gz GWMDMTGGWXFGCI-GFCCVEGCSA-N -1 1 338.371 2.335 20 0 EEADMM COc1ccc(CN(C(=O)c2coc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001605273633 1351121812 /nfs/dbraw/zinc/12/18/12/1351121812.db2.gz DGCWDKAHGAIBKO-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM COc1ccc(CN(C(=O)c2coc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC001605273633 1351121813 /nfs/dbraw/zinc/12/18/13/1351121813.db2.gz DGCWDKAHGAIBKO-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM COc1ncc(NC(=O)C[C@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001605346812 1351141711 /nfs/dbraw/zinc/14/17/11/1351141711.db2.gz DLWFVOBGUVLIMM-GHMZBOCLSA-N -1 1 330.392 2.425 20 0 EEADMM COc1nccc2c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cccc21 ZINC001605349309 1351142829 /nfs/dbraw/zinc/14/28/29/1351142829.db2.gz BGRJGJGLGUAWMN-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1nccc2c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cccc21 ZINC001605349309 1351142830 /nfs/dbraw/zinc/14/28/30/1351142830.db2.gz BGRJGJGLGUAWMN-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM CCN1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C[C@H]1C ZINC001605479440 1351168218 /nfs/dbraw/zinc/16/82/18/1351168218.db2.gz AIIZYTSYEADHCV-LLVKDONJSA-N -1 1 330.388 2.424 20 0 EEADMM Cc1c(Cl)ccc2c1CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001605490335 1351169680 /nfs/dbraw/zinc/16/96/80/1351169680.db2.gz QYHVKKRKYVGXRW-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1c(Cl)ccc2c1CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001605490335 1351169681 /nfs/dbraw/zinc/16/96/81/1351169681.db2.gz QYHVKKRKYVGXRW-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(Cc2c(F)cccc2F)C2CC2)n1 ZINC001605557906 1351190393 /nfs/dbraw/zinc/19/03/93/1351190393.db2.gz QWQTWMKUSFBFCS-UHFFFAOYSA-N -1 1 343.341 2.412 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(Cc2c(F)cccc2F)C2CC2)n1 ZINC001605557906 1351190398 /nfs/dbraw/zinc/19/03/98/1351190398.db2.gz QWQTWMKUSFBFCS-UHFFFAOYSA-N -1 1 343.341 2.412 20 0 EEADMM Cc1cc(CCCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)c(C)s1 ZINC001605656499 1351211704 /nfs/dbraw/zinc/21/17/04/1351211704.db2.gz SAPHRCHKZWPIFO-UHFFFAOYSA-N -1 1 331.405 2.230 20 0 EEADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605828022 1351230117 /nfs/dbraw/zinc/23/01/17/1351230117.db2.gz YOUSPLGJFRVVBE-MFKMUULPSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605828022 1351230120 /nfs/dbraw/zinc/23/01/20/1351230120.db2.gz YOUSPLGJFRVVBE-MFKMUULPSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc(CN(CC2CC2)c2nc(C)cc(-c3nnn[n-]3)n2)cn1 ZINC001605846589 1351235029 /nfs/dbraw/zinc/23/50/29/1351235029.db2.gz MPYXNBSMNALKQZ-UHFFFAOYSA-N -1 1 336.403 2.085 20 0 EEADMM Cc1ccc(CN(CC2CC2)c2nc(C)cc(-c3nn[n-]n3)n2)cn1 ZINC001605846589 1351235032 /nfs/dbraw/zinc/23/50/32/1351235032.db2.gz MPYXNBSMNALKQZ-UHFFFAOYSA-N -1 1 336.403 2.085 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC001605879860 1351245479 /nfs/dbraw/zinc/24/54/79/1351245479.db2.gz VHYCPDZTSVXDNU-AWEZNQCLSA-N -1 1 349.305 2.468 20 0 EEADMM Cc1cccc(C)c1NC(=O)COc1ccc(F)nc1-c1nn[n-]n1 ZINC001605909000 1351251815 /nfs/dbraw/zinc/25/18/15/1351251815.db2.gz YQEKPPQSBHNVOU-UHFFFAOYSA-N -1 1 342.334 2.035 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc3c(o2)CCCC3)c1-c1nnn[n-]1 ZINC001606139264 1351278029 /nfs/dbraw/zinc/27/80/29/1351278029.db2.gz IIJBEPRDMNWLKT-UHFFFAOYSA-N -1 1 344.400 2.380 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc3c(o2)CCCC3)c1-c1nn[n-]n1 ZINC001606139264 1351278031 /nfs/dbraw/zinc/27/80/31/1351278031.db2.gz IIJBEPRDMNWLKT-UHFFFAOYSA-N -1 1 344.400 2.380 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC001606158952 1351279400 /nfs/dbraw/zinc/27/94/00/1351279400.db2.gz SOLFMDOPCSDANR-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC001606169212 1351280703 /nfs/dbraw/zinc/28/07/03/1351280703.db2.gz FQSOUSLAHGCXQK-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1Cc1ccccc1 ZINC001606169212 1351280707 /nfs/dbraw/zinc/28/07/07/1351280707.db2.gz FQSOUSLAHGCXQK-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc(C(=O)[O-])c1 ZINC001606541926 1351319537 /nfs/dbraw/zinc/31/95/37/1351319537.db2.gz PGEXFFDQTUTTEG-CYBMUJFWSA-N -1 1 343.383 2.274 20 0 EEADMM COC(=O)c1cnc([C@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)s1 ZINC001606625578 1351333817 /nfs/dbraw/zinc/33/38/17/1351333817.db2.gz YLZVWZAZKREULC-VIFPVBQESA-N -1 1 336.369 2.210 20 0 EEADMM O=C(NCc1cc2cnccc2o1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606818379 1351360456 /nfs/dbraw/zinc/36/04/56/1351360456.db2.gz PMBFCTCIWCLDOI-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1cc2cnccc2o1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606818379 1351360458 /nfs/dbraw/zinc/36/04/58/1351360458.db2.gz PMBFCTCIWCLDOI-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(C2CCCCC2)CC1 ZINC001606845356 1351365887 /nfs/dbraw/zinc/36/58/87/1351365887.db2.gz XHSYQMVXJZPJQC-UHFFFAOYSA-N -1 1 332.433 2.300 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(C2CCCCC2)CC1 ZINC001606845356 1351365889 /nfs/dbraw/zinc/36/58/89/1351365889.db2.gz XHSYQMVXJZPJQC-UHFFFAOYSA-N -1 1 332.433 2.300 20 0 EEADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccsc1-c1nnn[n-]1 ZINC001606929634 1351378955 /nfs/dbraw/zinc/37/89/55/1351378955.db2.gz CBKYHFMEFOCPEN-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccsc1-c1nn[n-]n1 ZINC001606929634 1351378959 /nfs/dbraw/zinc/37/89/59/1351378959.db2.gz CBKYHFMEFOCPEN-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(OCC1(Br)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606965853 1351386394 /nfs/dbraw/zinc/38/63/94/1351386394.db2.gz WRIDLAWREDKKLB-UHFFFAOYSA-N -1 1 341.140 2.090 20 0 EEADMM O=C(OCC1(Br)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606965853 1351386395 /nfs/dbraw/zinc/38/63/95/1351386395.db2.gz WRIDLAWREDKKLB-UHFFFAOYSA-N -1 1 341.140 2.090 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC001607030555 1351400825 /nfs/dbraw/zinc/40/08/25/1351400825.db2.gz IICJBEGGKXNEIH-CYBMUJFWSA-N -1 1 325.328 2.143 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC001607030555 1351400826 /nfs/dbraw/zinc/40/08/26/1351400826.db2.gz IICJBEGGKXNEIH-CYBMUJFWSA-N -1 1 325.328 2.143 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCC(F)=C(F)F)CCCC2 ZINC001607089294 1351412947 /nfs/dbraw/zinc/41/29/47/1351412947.db2.gz NSKQYJFWECLBEF-UHFFFAOYSA-N -1 1 325.294 2.375 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCC[C@H](C2CCCCC2)C1 ZINC001607091353 1351414103 /nfs/dbraw/zinc/41/41/03/1351414103.db2.gz DTMZHOUCHOLIPZ-HNNXBMFYSA-N -1 1 342.447 2.278 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1csc(-c2cccs2)n1 ZINC001607091763 1351414645 /nfs/dbraw/zinc/41/46/45/1351414645.db2.gz UIJFGIMTGXHTKL-UHFFFAOYSA-N -1 1 342.409 2.262 20 0 EEADMM O[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC001607097311 1351416328 /nfs/dbraw/zinc/41/63/28/1351416328.db2.gz OOWPPXDQWDRMPH-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM O[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC001607097311 1351416331 /nfs/dbraw/zinc/41/63/31/1351416331.db2.gz OOWPPXDQWDRMPH-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM COc1ccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001607271054 1351462288 /nfs/dbraw/zinc/46/22/88/1351462288.db2.gz LISBYLZABUUYCL-GOSISDBHSA-N -1 1 343.383 2.008 20 0 EEADMM COc1ccc2nc(S[C@@H]3CCCN(CCC(=O)[O-])C3=O)[nH]c2c1 ZINC001607302600 1351468413 /nfs/dbraw/zinc/46/84/13/1351468413.db2.gz KBNXMCJNQBGBQW-CYBMUJFWSA-N -1 1 349.412 2.129 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N[C@H]2Cc3cccc(O)c3C2)c(C)c1C(=O)[O-] ZINC001607484804 1351502076 /nfs/dbraw/zinc/50/20/76/1351502076.db2.gz BHISHVWECGPLNZ-AAEUAGOBSA-N -1 1 342.395 2.364 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)CC2)c1 ZINC001607625597 1351528372 /nfs/dbraw/zinc/52/83/72/1351528372.db2.gz MNKJNYHPCFQATO-MRXNPFEDSA-N -1 1 344.455 2.342 20 0 EEADMM Cc1cc(CN[C@@H]2CCN(c3c(F)cccc3F)C2=O)[nH]c1C(=O)[O-] ZINC001607648464 1351532728 /nfs/dbraw/zinc/53/27/28/1351532728.db2.gz ROEIKEDLEPVFEW-CYBMUJFWSA-N -1 1 349.337 2.195 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001607739336 1351549331 /nfs/dbraw/zinc/54/93/31/1351549331.db2.gz NHCANOQRXKHFOW-ZBFHGGJFSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCCC[C@@H]1O ZINC001607739336 1351549332 /nfs/dbraw/zinc/54/93/32/1351549332.db2.gz NHCANOQRXKHFOW-ZBFHGGJFSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCn2nccc21 ZINC001607741579 1351550335 /nfs/dbraw/zinc/55/03/35/1351550335.db2.gz ZMXRCYQCBIMUQR-GXTWGEPZSA-N -1 1 342.399 2.341 20 0 EEADMM Cc1ccc(CN(CCO)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)o1 ZINC001607778322 1351556895 /nfs/dbraw/zinc/55/68/95/1351556895.db2.gz STIVPBROJFPSDM-AWEZNQCLSA-N -1 1 333.384 2.434 20 0 EEADMM Cc1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c(Br)c1 ZINC001607779419 1351557140 /nfs/dbraw/zinc/55/71/40/1351557140.db2.gz GMLRDXZZDCAZJF-NWDGAFQWSA-N -1 1 328.206 2.025 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c(N(C)C)n1 ZINC001607810848 1351563800 /nfs/dbraw/zinc/56/38/00/1351563800.db2.gz RHJMJIXNQYDIDO-UHFFFAOYSA-N -1 1 349.412 2.263 20 0 EEADMM Cc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001607885000 1351578629 /nfs/dbraw/zinc/57/86/29/1351578629.db2.gz CTLAXRHOPATAGD-BHYGNILZSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001607901241 1351582601 /nfs/dbraw/zinc/58/26/01/1351582601.db2.gz BFWFUASVWJAIFX-MGPQQGTHSA-N -1 1 336.457 2.167 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N[C@H]1CCCn2nccc21 ZINC001607925682 1351587076 /nfs/dbraw/zinc/58/70/76/1351587076.db2.gz OLWXFWCTSKJSAS-MNOVXSKESA-N -1 1 348.428 2.403 20 0 EEADMM Cc1ncc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1C(=O)[O-] ZINC001607981682 1351597607 /nfs/dbraw/zinc/59/76/07/1351597607.db2.gz YFISPFXDIJOUKA-UHFFFAOYSA-N -1 1 329.360 2.223 20 0 EEADMM Cc1oc(CN(C)C(=O)c2nc[nH]c2C(F)(F)F)cc1C(=O)[O-] ZINC001608044951 1351612982 /nfs/dbraw/zinc/61/29/82/1351612982.db2.gz LWQCJWCMFZKGFY-UHFFFAOYSA-N -1 1 331.250 2.300 20 0 EEADMM Cn1cc(Br)c(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])n1 ZINC001608093674 1351623897 /nfs/dbraw/zinc/62/38/97/1351623897.db2.gz PQMFFXOXLVEZOU-TVQRCGJNSA-N -1 1 330.226 2.306 20 0 EEADMM Cn1cc(CNCc2ccncc2OCC(F)(F)F)cc1C(=O)[O-] ZINC001608115197 1351628509 /nfs/dbraw/zinc/62/85/09/1351628509.db2.gz YCOIIECDDZPGIR-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM O=C([O-])C1(NC(=O)CN[C@H](c2ccccn2)C2CCC2)CCCCC1 ZINC001608339458 1351674201 /nfs/dbraw/zinc/67/42/01/1351674201.db2.gz XWVPLOJYZRVTLI-KRWDZBQOSA-N -1 1 345.443 2.416 20 0 EEADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1csc(CO)n1 ZINC001627293045 1352490360 /nfs/dbraw/zinc/49/03/60/1352490360.db2.gz AZBDAZKVCYLLSF-UHFFFAOYSA-N -1 1 332.410 2.330 20 0 EEADMM COc1cccc([C@@H](O)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001630884516 1352573819 /nfs/dbraw/zinc/57/38/19/1352573819.db2.gz RFJDVDZMWGIFTN-QGZVFWFLSA-N -1 1 339.351 2.259 20 0 EEADMM CCn1c(=O)[nH]c2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)ccc21 ZINC001648438516 1353430218 /nfs/dbraw/zinc/43/02/18/1353430218.db2.gz LZPGDDPDABJSKQ-UHFFFAOYSA-N -1 1 340.265 2.151 20 0 EEADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)NCC(F)(F)F ZINC001649691305 1353558455 /nfs/dbraw/zinc/55/84/55/1353558455.db2.gz YGSCIGHARWEGTO-VIFPVBQESA-N -1 1 340.301 2.342 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3cccc(Cl)c3F)ccnc1-2 ZINC001649803305 1353604794 /nfs/dbraw/zinc/60/47/94/1353604794.db2.gz WPZSEOQZWUBVPY-UHFFFAOYSA-N -1 1 333.754 2.456 20 0 EEADMM COc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)C1CCCCC1 ZINC000066582465 1354076261 /nfs/dbraw/zinc/07/62/61/1354076261.db2.gz RBBADCUEARGHRT-UHFFFAOYSA-N -1 1 340.445 2.471 20 0 EEADMM CN(C)C(=O)c1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)[nH]1 ZINC001663007053 1354887391 /nfs/dbraw/zinc/88/73/91/1354887391.db2.gz UZJJXOQWIKWOHH-UHFFFAOYSA-N -1 1 325.372 2.220 20 0 EEADMM CCC[C@H](CC)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001388943865 1387824809 /nfs/dbraw/zinc/82/48/09/1387824809.db2.gz TXUYJXXNJOJHLD-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC001186423833 1368200027 /nfs/dbraw/zinc/20/00/27/1368200027.db2.gz HFUJKLFYENLZCP-SNVBAGLBSA-N -1 1 329.316 2.485 20 0 EEADMM COCCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009671 1368339255 /nfs/dbraw/zinc/33/92/55/1368339255.db2.gz MGJPAXJPJJNLRM-UHFFFAOYSA-N -1 1 344.177 2.042 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cnc(C(F)(F)F)nc2)c(OC)c1 ZINC001190110549 1368394850 /nfs/dbraw/zinc/39/48/50/1368394850.db2.gz SVBGHBDQHFJZDA-UHFFFAOYSA-N -1 1 343.261 2.471 20 0 EEADMM CCOC(=O)CNC(=S)Nc1cccc([O-])c1Br ZINC001195562968 1368558441 /nfs/dbraw/zinc/55/84/41/1368558441.db2.gz VIAIRUCYFOHKRP-UHFFFAOYSA-N -1 1 333.207 2.004 20 0 EEADMM COc1ccc2nc([N-]C(=O)c3cc(-c4ccncc4)on3)nnc2c1 ZINC001196210901 1368587087 /nfs/dbraw/zinc/58/70/87/1368587087.db2.gz ZMJOKWKAFVTKJM-UHFFFAOYSA-N -1 1 348.322 2.336 20 0 EEADMM C[C@@H]1CCN(C(=O)NCC2=CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852633477 1369290971 /nfs/dbraw/zinc/29/09/71/1369290971.db2.gz SBBLLKORTDMZKB-PWSUYJOCSA-N -1 1 333.354 2.195 20 0 EEADMM C[C@@H]1CCN(CC(=O)Nc2ccccc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757857 1369298860 /nfs/dbraw/zinc/29/88/60/1369298860.db2.gz OHPBTFNXZVWWAQ-YPMHNXCESA-N -1 1 343.349 2.014 20 0 EEADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000858558845 1369421279 /nfs/dbraw/zinc/42/12/79/1369421279.db2.gz AZFCLNVPEFVXBB-UHFFFAOYSA-N -1 1 328.800 2.328 20 0 EEADMM CN1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC000864442111 1369601752 /nfs/dbraw/zinc/60/17/52/1369601752.db2.gz HSBOLQSXAUASIB-UHFFFAOYSA-N -1 1 331.185 2.072 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)CCCF)CC1 ZINC001069535411 1370172458 /nfs/dbraw/zinc/17/24/58/1370172458.db2.gz UVKWZSLDVBKFQB-UHFFFAOYSA-N -1 1 337.395 2.038 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2C(=O)[O-])N2CCCC2)o1 ZINC000780513354 1371163413 /nfs/dbraw/zinc/16/34/13/1371163413.db2.gz OIGKYCXGFURNKB-CABCVRRESA-N -1 1 349.431 2.374 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(N)=O)CC2 ZINC000782533535 1371309380 /nfs/dbraw/zinc/30/93/80/1371309380.db2.gz JZDHMFUYFCBIRW-UHFFFAOYSA-N -1 1 349.387 2.376 20 0 EEADMM CCCCCN(c1nnc(-c2c[n-][nH]c2=O)n1CCOC)C(C)C ZINC001122306270 1371959898 /nfs/dbraw/zinc/95/98/98/1371959898.db2.gz ZBUFDCOOMBZYRH-UHFFFAOYSA-N -1 1 336.440 2.425 20 0 EEADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)OCc2nn[n-]n2)s1 ZINC001123018273 1372086924 /nfs/dbraw/zinc/08/69/24/1372086924.db2.gz DULLKNJRMMYBTA-UHFFFAOYSA-N -1 1 329.385 2.226 20 0 EEADMM COc1c(C)cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000831134240 1372367274 /nfs/dbraw/zinc/36/72/74/1372367274.db2.gz ITOFDOUQZSTCCY-UHFFFAOYSA-N -1 1 344.333 2.063 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCN1CCc2ccccc21 ZINC000831614737 1372384038 /nfs/dbraw/zinc/38/40/38/1372384038.db2.gz KQDQWUDZHZNKEG-UHFFFAOYSA-N -1 1 340.427 2.407 20 0 EEADMM Cc1[nH]c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001140494147 1372584666 /nfs/dbraw/zinc/58/46/66/1372584666.db2.gz XUUSFAODWUVQFY-RTHLEPHNSA-N -1 1 334.338 2.465 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCCCC(F)F)o1 ZINC001356103273 1373190772 /nfs/dbraw/zinc/19/07/72/1373190772.db2.gz SMDWAZBHOBQOBI-UHFFFAOYSA-N -1 1 338.376 2.132 20 0 EEADMM CSc1ncc(C(=O)NCCN2c3ccccc3C[C@H]2C)c(=O)[n-]1 ZINC001362174635 1373374936 /nfs/dbraw/zinc/37/49/36/1373374936.db2.gz ULMYVPIKOLKFDY-LLVKDONJSA-N -1 1 344.440 2.085 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC001362412927 1373403925 /nfs/dbraw/zinc/40/39/25/1373403925.db2.gz ZTNUQYZPHAFMCI-CQSZACIVSA-N -1 1 337.778 2.447 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(Br)o1)c1nn[n-]n1 ZINC001362422895 1373406222 /nfs/dbraw/zinc/40/62/22/1373406222.db2.gz IFADLDQEBYNUNH-UHFFFAOYSA-N -1 1 328.170 2.001 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@](C)(O)c2ccc(Cl)cc2)n1 ZINC001363210059 1373493448 /nfs/dbraw/zinc/49/34/48/1373493448.db2.gz GLVLTYXRWWVBDG-HNNXBMFYSA-N -1 1 337.763 2.086 20 0 EEADMM C[C@@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)C(=O)c1ccc(Cl)cc1 ZINC001363317245 1373505023 /nfs/dbraw/zinc/50/50/23/1373505023.db2.gz FZXQKYRVHFQLIF-VIFPVBQESA-N -1 1 349.774 2.067 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1=O ZINC001363639769 1373541314 /nfs/dbraw/zinc/54/13/14/1373541314.db2.gz GBCNHHYMFTXUNH-RHYQMDGZSA-N -1 1 348.365 2.050 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2ccc(OC)cc2[O-])c1OC ZINC001363768918 1373551454 /nfs/dbraw/zinc/55/14/54/1373551454.db2.gz FSZXIIWSTCLZNB-UHFFFAOYSA-N -1 1 331.324 2.448 20 0 EEADMM Cc1nc(CN(C)C[C@H](C)NC(=O)c2ncccc2[O-])sc1C ZINC001367795753 1374268613 /nfs/dbraw/zinc/26/86/13/1374268613.db2.gz POOLNYDSYSENEJ-JTQLQIEISA-N -1 1 334.445 2.111 20 0 EEADMM Cc1cc(Cl)cc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001372976034 1376332868 /nfs/dbraw/zinc/33/28/68/1376332868.db2.gz REBFZUQUSXVJTE-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CC(C)[C@@H](CNC(=O)C1(C)CCCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001374424551 1376802065 /nfs/dbraw/zinc/80/20/65/1376802065.db2.gz JNTVDSXGLZEIBW-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CC[C@@H](CNC(=O)c1cscc1C)NC(=O)c1ncccc1[O-] ZINC001375039237 1377308369 /nfs/dbraw/zinc/30/83/69/1377308369.db2.gz PHGWRAMWULVIOE-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM Cc1oc(C)c(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001375694291 1377930753 /nfs/dbraw/zinc/93/07/53/1377930753.db2.gz HZEGCMATAPZDCS-JTQLQIEISA-N -1 1 345.399 2.101 20 0 EEADMM Cc1cc(F)cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c1 ZINC001383698550 1382646237 /nfs/dbraw/zinc/64/62/37/1382646237.db2.gz FRWPKUSNLXKVCC-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM C[C@@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccs1 ZINC001391814026 1389623925 /nfs/dbraw/zinc/62/39/25/1389623925.db2.gz WDDXWYIETILEIR-BZNIZROVSA-N -1 1 349.460 2.040 20 0 EEADMM CC[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001393302402 1390400901 /nfs/dbraw/zinc/40/09/01/1390400901.db2.gz GMZQQYFMFRLBFI-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(=O)N[C@]1(C)CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001394229319 1390656157 /nfs/dbraw/zinc/65/61/57/1390656157.db2.gz YWCVITXDGRYRTR-GOSISDBHSA-N -1 1 348.447 2.135 20 0 EEADMM CN(C(=O)c1cccs1)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001395480614 1390826790 /nfs/dbraw/zinc/82/67/90/1390826790.db2.gz MVAMLQZAUDLHFK-GFCCVEGCSA-N -1 1 345.424 2.129 20 0 EEADMM CC(C)c1ccc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001397590383 1391347713 /nfs/dbraw/zinc/34/77/13/1391347713.db2.gz IKYGZEBCIVGFRA-ZDUSSCGKSA-N -1 1 341.411 2.459 20 0 EEADMM Cc1cc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c(C)s1 ZINC001397814696 1391486540 /nfs/dbraw/zinc/48/65/40/1391486540.db2.gz QJLSVNAJLCQIDM-SNVBAGLBSA-N -1 1 347.440 2.404 20 0 EEADMM CCCN(C(=O)CC1(C)CC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398414863 1392560939 /nfs/dbraw/zinc/56/09/39/1392560939.db2.gz LYRGPLOHYBIVJR-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CCc1ccc(C(=O)N[C@H](CC)CNC(=O)c2ncccc2[O-])cc1 ZINC001398950946 1394362319 /nfs/dbraw/zinc/36/23/19/1394362319.db2.gz XLRWEMDNPIRRJB-OAHLLOKOSA-N -1 1 341.411 2.288 20 0 EEADMM CC[C@H](F)C(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001399257416 1394890440 /nfs/dbraw/zinc/89/04/40/1394890440.db2.gz DUIDRDZEALYFJC-AWEZNQCLSA-N -1 1 345.374 2.082 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)CCC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001423739272 1400778473 /nfs/dbraw/zinc/77/84/73/1400778473.db2.gz NLJZTOKZWIDQHR-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2nccnc2Cl)c(F)c1 ZINC001424034958 1400876883 /nfs/dbraw/zinc/87/68/83/1400876883.db2.gz UNWIETMPGSSIGN-UHFFFAOYSA-N -1 1 333.747 2.195 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Br)cn2)sn1 ZINC001424498402 1401136697 /nfs/dbraw/zinc/13/66/97/1401136697.db2.gz IMKLJDAXJSMVLQ-UHFFFAOYSA-N -1 1 348.247 2.088 20 0 EEADMM CC1(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001425701209 1401746946 /nfs/dbraw/zinc/74/69/46/1401746946.db2.gz BZPRTJJKHDGZGJ-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM CCC1(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001426280290 1402016957 /nfs/dbraw/zinc/01/69/57/1402016957.db2.gz CLBJIFSTOMNQLS-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(CCC1CC1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001426564385 1402100198 /nfs/dbraw/zinc/10/01/98/1402100198.db2.gz PFYMVECLKGKGOJ-GJZGRUSLSA-N -1 1 343.427 2.135 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H](CNC(=O)C(C)(C)C1CC1)C1CC1 ZINC001427399522 1402394866 /nfs/dbraw/zinc/39/48/66/1402394866.db2.gz RIJOASRFRBBBFO-CQSZACIVSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001428434849 1402714126 /nfs/dbraw/zinc/71/41/26/1402714126.db2.gz SLABTFWWRPVSLO-WVZRYYJFSA-N -1 1 345.443 2.046 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1sccc1C ZINC001431797542 1403129545 /nfs/dbraw/zinc/12/95/45/1403129545.db2.gz SXLYGCNPKLUTRB-UHFFFAOYSA-N -1 1 347.440 2.439 20 0 EEADMM CCC(=O)NCCN(C(=O)c1ncccc1[O-])C1CCCCCC1 ZINC001432335336 1403240604 /nfs/dbraw/zinc/24/06/04/1403240604.db2.gz ZGFJJINWMJXPQI-UHFFFAOYSA-N -1 1 333.432 2.478 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001433951998 1403450373 /nfs/dbraw/zinc/45/03/73/1403450373.db2.gz KXEFYFUSBWRZFM-NSHDSACASA-N -1 1 327.384 2.429 20 0 EEADMM C[C@H]1Cc2cnccc2N1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576386535 1403571279 /nfs/dbraw/zinc/57/12/79/1403571279.db2.gz AHAHBSUHCAOMBG-QMMMGPOBSA-N -1 1 342.309 2.131 20 0 EEADMM C[C@H]1Cc2cnccc2N1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576386535 1403571285 /nfs/dbraw/zinc/57/12/85/1403571285.db2.gz AHAHBSUHCAOMBG-QMMMGPOBSA-N -1 1 342.309 2.131 20 0 EEADMM CCC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001576484543 1403578855 /nfs/dbraw/zinc/57/88/55/1403578855.db2.gz KQFGPFGNXMHFIO-UHFFFAOYSA-N -1 1 341.396 2.451 20 0 EEADMM CCCCC(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001577407255 1403647587 /nfs/dbraw/zinc/64/75/87/1403647587.db2.gz ZGAIWCPJNPFQQR-LLVKDONJSA-N -1 1 349.464 2.225 20 0 EEADMM CCCC[C@@H](CC)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577458496 1403654493 /nfs/dbraw/zinc/65/44/93/1403654493.db2.gz HQCMMLMRDFGMDE-LLVKDONJSA-N -1 1 332.408 2.222 20 0 EEADMM CCOC(OCC)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001578319604 1403736589 /nfs/dbraw/zinc/73/65/89/1403736589.db2.gz SEMXKWLCVUQNFL-LURJTMIESA-N -1 1 332.817 2.176 20 0 EEADMM CCOC(OCC)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001578319604 1403736581 /nfs/dbraw/zinc/73/65/81/1403736581.db2.gz SEMXKWLCVUQNFL-LURJTMIESA-N -1 1 332.817 2.176 20 0 EEADMM CCOc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)nc1C ZINC001578397878 1403746664 /nfs/dbraw/zinc/74/66/64/1403746664.db2.gz BPAZCKFFRSMCQL-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COc1ncc(NC(=O)[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC001580130786 1403833490 /nfs/dbraw/zinc/83/34/90/1403833490.db2.gz XLCOXVVFRMSXOT-MRVPVSSYSA-N -1 1 330.373 2.074 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1scnc1C(C)C ZINC001580608726 1403862883 /nfs/dbraw/zinc/86/28/83/1403862883.db2.gz IHKKBMSPNPQMBH-UHFFFAOYSA-N -1 1 345.388 2.108 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592006998 1403982841 /nfs/dbraw/zinc/98/28/41/1403982841.db2.gz RSUPMDAINALNNF-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592006998 1403982847 /nfs/dbraw/zinc/98/28/47/1403982847.db2.gz RSUPMDAINALNNF-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1ccc(C)c(CN(C)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001592140900 1404004577 /nfs/dbraw/zinc/00/45/77/1404004577.db2.gz OLIIJLKPROQPGO-UHFFFAOYSA-N -1 1 338.415 2.043 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n[nH]1 ZINC001592246593 1404012646 /nfs/dbraw/zinc/01/26/46/1404012646.db2.gz TTZWYCRCAJFSKE-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n[nH]1 ZINC001592246593 1404012654 /nfs/dbraw/zinc/01/26/54/1404012654.db2.gz TTZWYCRCAJFSKE-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1ncc(-c2ccc(NC(=O)c3cccc(-c4nnn[n-]4)n3)cc2)o1 ZINC001592407202 1404028691 /nfs/dbraw/zinc/02/86/91/1404028691.db2.gz IXMOMLBCNMCARY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ncc(-c2ccc(NC(=O)c3cccc(-c4nn[n-]n4)n3)cc2)o1 ZINC001592407202 1404028701 /nfs/dbraw/zinc/02/87/01/1404028701.db2.gz IXMOMLBCNMCARY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1nc(NC[C@H](C)c2nc3ccccc3o2)cc(-c2nnn[n-]2)n1 ZINC001606067292 1404761670 /nfs/dbraw/zinc/76/16/70/1404761670.db2.gz NZJIYJBLFJGXBB-VIFPVBQESA-N -1 1 336.359 2.322 20 0 EEADMM Cc1nc(NC[C@H](C)c2nc3ccccc3o2)cc(-c2nn[n-]n2)n1 ZINC001606067292 1404761674 /nfs/dbraw/zinc/76/16/74/1404761674.db2.gz NZJIYJBLFJGXBB-VIFPVBQESA-N -1 1 336.359 2.322 20 0 EEADMM FC(F)(F)c1ccc(Sc2ncncc2-c2nnn[n-]2)nc1 ZINC001606293971 1404779368 /nfs/dbraw/zinc/77/93/68/1404779368.db2.gz XAQPBMAGJDTLQS-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM FC(F)(F)c1ccc(Sc2ncncc2-c2nn[n-]n2)nc1 ZINC001606293971 1404779374 /nfs/dbraw/zinc/77/93/74/1404779374.db2.gz XAQPBMAGJDTLQS-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM C/C(=C\C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001756228857 1408237203 /nfs/dbraw/zinc/23/72/03/1408237203.db2.gz NIAZWWHFOIANOV-CFXNXBPSSA-N -1 1 343.427 2.301 20 0 EEADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)ccc1[O-] ZINC000322056004 1409862604 /nfs/dbraw/zinc/86/26/04/1409862604.db2.gz LBOMJQHVHYVRJI-LBPRGKRZSA-N -1 1 341.791 2.230 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)c1cnn(C)c1C ZINC001771608356 1409878946 /nfs/dbraw/zinc/87/89/46/1409878946.db2.gz RRFCLECZNIUBHQ-QMMMGPOBSA-N -1 1 345.371 2.055 20 0 EEADMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc(CN(C)C)on1 ZINC001772039924 1410020994 /nfs/dbraw/zinc/02/09/94/1410020994.db2.gz ZAFDCESONFIESW-UHFFFAOYSA-N -1 1 339.298 2.053 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCN(C)c3ccccc32)n1 ZINC000846651531 790311614 /nfs/dbraw/zinc/31/16/14/790311614.db2.gz VMETZNVUGPPYDZ-LBPRGKRZSA-N -1 1 328.372 2.149 20 0 EEADMM C[C@H](CNc1nc(C2CCC2)ns1)N(C)C(=O)c1ncccc1[O-] ZINC001104536725 761715532 /nfs/dbraw/zinc/71/55/32/761715532.db2.gz UQTALYYHBPEJGS-SNVBAGLBSA-N -1 1 347.444 2.479 20 0 EEADMM CCc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cnn1C ZINC000919173610 769653034 /nfs/dbraw/zinc/65/30/34/769653034.db2.gz DCVGQEYCAYAHHD-UHFFFAOYSA-N -1 1 328.324 2.152 20 0 EEADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000033887091 770534604 /nfs/dbraw/zinc/53/46/04/770534604.db2.gz KNIKUVHPXPTLFX-UHFFFAOYSA-N -1 1 325.317 2.119 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C/C=C/c2ccccc2)c1[O-] ZINC001027829604 770903078 /nfs/dbraw/zinc/90/30/78/770903078.db2.gz FKXJTTGQNVAUSB-DXWDOBMASA-N -1 1 340.427 2.331 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C/C=C/c2ccccc2)c1[O-] ZINC001027829604 770903083 /nfs/dbraw/zinc/90/30/83/770903083.db2.gz FKXJTTGQNVAUSB-DXWDOBMASA-N -1 1 340.427 2.331 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1cc(C2CC2)no1)c1ncccc1[O-] ZINC001027843894 773413556 /nfs/dbraw/zinc/41/35/56/773413556.db2.gz IOMACDKMJCEYHO-ZDUSSCGKSA-N -1 1 342.399 2.047 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2F)o1 ZINC000843688599 774058841 /nfs/dbraw/zinc/05/88/41/774058841.db2.gz FFRWOBJYGZZWKZ-UHFFFAOYSA-N -1 1 341.364 2.143 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000942758561 783147063 /nfs/dbraw/zinc/14/70/63/783147063.db2.gz OOHIUSSMZPLTRF-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CCCn2cccn2)CC1 ZINC000068452434 774562858 /nfs/dbraw/zinc/56/28/58/774562858.db2.gz HULUCERYPJKXEI-UHFFFAOYSA-N -1 1 348.476 2.343 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Cc1ccc(F)c(F)c1 ZINC000087391562 790637165 /nfs/dbraw/zinc/63/71/65/790637165.db2.gz JGULJMHDMSHFRV-UHFFFAOYSA-N -1 1 326.372 2.140 20 0 EEADMM CC(C)C(=O)N1CCC2(C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982246248 779358400 /nfs/dbraw/zinc/35/84/00/779358400.db2.gz 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O=C(N[C@H]1CCC[C@@H]1CNc1ncncc1Cl)c1ncccc1[O-] ZINC001064093684 792335646 /nfs/dbraw/zinc/33/56/46/792335646.db2.gz LXGOWKCKBDFRRE-PWSUYJOCSA-N -1 1 347.806 2.241 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ncncc1Cl)c1ncccc1[O-] ZINC001064093685 792335794 /nfs/dbraw/zinc/33/57/94/792335794.db2.gz LXGOWKCKBDFRRE-ZYHUDNBSSA-N -1 1 347.806 2.241 20 0 EEADMM O=C(NCC1CC(NC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000992048360 792469279 /nfs/dbraw/zinc/46/92/79/792469279.db2.gz JGNWHUCOOYSPMP-UHFFFAOYSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])n(N)c(=O)c1 ZINC001148871650 792759441 /nfs/dbraw/zinc/75/94/41/792759441.db2.gz BKKQRPKEWPHUPN-UHFFFAOYSA-N -1 1 335.363 2.495 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)C1 ZINC001064264815 792773587 /nfs/dbraw/zinc/77/35/87/792773587.db2.gz YVCBKAQCAUMAHG-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM COC[C@H](NC(=O)c1cc([O-])c(Br)c(O)c1)C1CC1 ZINC001148996571 792818667 /nfs/dbraw/zinc/81/86/67/792818667.db2.gz QEGHGJJYXVLIHK-VIFPVBQESA-N -1 1 330.178 2.015 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064332304 792868589 /nfs/dbraw/zinc/86/85/89/792868589.db2.gz QSQQHOCBBSYFHH-FZKQIMNGSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1ncc(F)cn1 ZINC001064395549 793025250 /nfs/dbraw/zinc/02/52/50/793025250.db2.gz MDARPITVDRODAF-AAEUAGOBSA-N -1 1 345.378 2.069 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccc(C)n1 ZINC001064396127 793027380 /nfs/dbraw/zinc/02/73/80/793027380.db2.gz VBUBCNAXKUBBQW-UONOGXRCSA-N -1 1 341.415 2.238 20 0 EEADMM CCc1nsc(N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H](C)C2)n1 ZINC001064766415 793693639 /nfs/dbraw/zinc/69/36/39/793693639.db2.gz QCXYTFYNKMMRQB-MNOVXSKESA-N -1 1 347.444 2.306 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CN(CC=C(Cl)Cl)C[C@H]2C)c1[O-] ZINC001092548942 794082071 /nfs/dbraw/zinc/08/20/71/794082071.db2.gz WUNJBTWNIZRXDT-PSASIEDQSA-N -1 1 347.246 2.040 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743719 794207341 /nfs/dbraw/zinc/20/73/41/794207341.db2.gz IKRAUFBOAWWYQL-LBPRGKRZSA-N -1 1 329.404 2.397 20 0 EEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743572 794207486 /nfs/dbraw/zinc/20/74/86/794207486.db2.gz BABWCJCSUUJCPP-NSHDSACASA-N -1 1 333.823 2.438 20 0 EEADMM CCOc1ccc(C[C@@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913746435 794223124 /nfs/dbraw/zinc/22/31/24/794223124.db2.gz TUADQKMNKPZZGJ-CYBMUJFWSA-N -1 1 343.431 2.183 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC000999449769 794477610 /nfs/dbraw/zinc/47/76/10/794477610.db2.gz BGTGTKOOSFCUKE-RFGFWPKPSA-N -1 1 343.427 2.085 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535653 795584775 /nfs/dbraw/zinc/58/47/75/795584775.db2.gz GHQVAVYFAJKNIQ-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCc1nocc1CN1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC000993250438 796171669 /nfs/dbraw/zinc/17/16/69/796171669.db2.gz PZVMMDGFAGTQBX-SWLSCSKDSA-N -1 1 344.415 2.121 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001078425475 796432971 /nfs/dbraw/zinc/43/29/71/796432971.db2.gz WHIQANMPXRPIAX-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1ccnc(NC2CCC(NC(=O)c3ncccc3[O-])CC2)n1 ZINC001060589552 796700033 /nfs/dbraw/zinc/70/00/33/796700033.db2.gz VPEZHBXKPNNPQU-UHFFFAOYSA-N -1 1 327.388 2.039 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCC[N@H+]1Cc1ccccc1F ZINC000993474419 796724790 /nfs/dbraw/zinc/72/47/90/796724790.db2.gz YOQLCCCWKVFMTL-BLLLJJGKSA-N -1 1 344.390 2.104 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082024094 797082630 /nfs/dbraw/zinc/08/26/30/797082630.db2.gz IYHVMSGHUVELMN-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(CCC(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001082024365 797083465 /nfs/dbraw/zinc/08/34/65/797083465.db2.gz SUYMRWDMXWHFQE-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc3nccnc3c2)c1 ZINC001175491536 798123037 /nfs/dbraw/zinc/12/30/37/798123037.db2.gz MQBHZFOCESITPJ-UHFFFAOYSA-N -1 1 344.352 2.345 20 0 EEADMM CC(=O)N1CCC(=Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])CC1 ZINC001176032301 798323858 /nfs/dbraw/zinc/32/38/58/798323858.db2.gz TVQRYKJXMXTJQI-UHFFFAOYSA-N -1 1 344.820 2.443 20 0 EEADMM CC1(C)CCC(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001002653309 798386325 /nfs/dbraw/zinc/38/63/25/798386325.db2.gz SWQYMPWVFFECLQ-UHFFFAOYSA-N -1 1 345.443 2.192 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000921975984 798508145 /nfs/dbraw/zinc/50/81/45/798508145.db2.gz VAPWPALDGJZRHN-CYBMUJFWSA-N -1 1 329.349 2.048 20 0 EEADMM CN(c1cccc(F)n1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001061195460 798848398 /nfs/dbraw/zinc/84/83/98/798848398.db2.gz LIVNFIHJWFHCJT-LBPRGKRZSA-N -1 1 330.363 2.062 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065826277 799597069 /nfs/dbraw/zinc/59/70/69/799597069.db2.gz PMFGYJUEMPZOAK-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079435 799975762 /nfs/dbraw/zinc/97/57/62/799975762.db2.gz YYUQJPWIUVSHNR-BLXFFLACSA-N -1 1 331.416 2.254 20 0 EEADMM CC(C)(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])C(=O)c1ccccc1 ZINC001180176224 800285939 /nfs/dbraw/zinc/28/59/39/800285939.db2.gz RMTCHIPXIGGCEE-UHFFFAOYSA-N -1 1 335.253 2.119 20 0 EEADMM O=C(Cc1c[nH]c2cccc(Cl)c12)N1CCC(c2nn[n-]n2)CC1 ZINC000827916180 800535201 /nfs/dbraw/zinc/53/52/01/800535201.db2.gz JRONHCCNPLDPNM-UHFFFAOYSA-N -1 1 344.806 2.283 20 0 EEADMM CSc1nc(CNC(=O)c2ccc3cccnc3c2)cc(=O)[n-]1 ZINC001143619729 806851422 /nfs/dbraw/zinc/85/14/22/806851422.db2.gz BBTXQSZHPABSRS-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM CCc1nc(CN2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])cs1 ZINC001085561815 800768491 /nfs/dbraw/zinc/76/84/91/800768491.db2.gz VQKFJDISWZSXFM-ZDUSSCGKSA-N -1 1 346.456 2.153 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001004076826 800919431 /nfs/dbraw/zinc/91/94/31/800919431.db2.gz KMYDVJGNDBJQLP-UHFFFAOYSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)c1ccccc1 ZINC001004409408 801973930 /nfs/dbraw/zinc/97/39/30/801973930.db2.gz DJKMPZQMVPUUDM-HIFRSBDPSA-N -1 1 339.395 2.068 20 0 EEADMM COC(C)(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)OC ZINC001184529392 802056023 /nfs/dbraw/zinc/05/60/23/802056023.db2.gz UEJDZFLPXBFNJS-UHFFFAOYSA-N -1 1 342.244 2.422 20 0 EEADMM C[C@@H](O)c1ccnc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1 ZINC001185098411 802331798 /nfs/dbraw/zinc/33/17/98/802331798.db2.gz GYZRZSKUVPQLTN-SECBINFHSA-N -1 1 328.340 2.355 20 0 EEADMM CSc1ncc([O-])c(C(=O)Nc2cc3n[nH]c(C)c3c(F)c2)n1 ZINC001185185115 802379479 /nfs/dbraw/zinc/37/94/79/802379479.db2.gz AGRHGUDEVPTJCK-UHFFFAOYSA-N -1 1 333.348 2.480 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004751316 802760514 /nfs/dbraw/zinc/76/05/14/802760514.db2.gz MDKRXSBKBHUMIH-NWDGAFQWSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@@H]1CCN(C(=O)C2(C)CC=CC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004768149 802854979 /nfs/dbraw/zinc/85/49/79/802854979.db2.gz NOFZTPKGYYGVBI-KGLIPLIRSA-N -1 1 343.427 2.110 20 0 EEADMM Cc1nc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)c2ncccc2[O-])co1 ZINC001004826264 803016173 /nfs/dbraw/zinc/01/61/73/803016173.db2.gz UQNYJECUFLVUCC-WFASDCNBSA-N -1 1 344.415 2.257 20 0 EEADMM COC(=O)c1nc2ccc(NC(C)(C)C(=O)OC(C)(C)C)[n-]c-2n1 ZINC001169583437 803888572 /nfs/dbraw/zinc/88/85/72/803888572.db2.gz XAPODSJWXIQCJI-UHFFFAOYSA-N -1 1 334.376 2.277 20 0 EEADMM COC(=O)c1nc2ccc(NC(C)(C)C(=O)OC(C)(C)C)nc2[n-]1 ZINC001169583437 803888590 /nfs/dbraw/zinc/88/85/90/803888590.db2.gz XAPODSJWXIQCJI-UHFFFAOYSA-N -1 1 334.376 2.277 20 0 EEADMM CCOc1ccc(C(=O)NCC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790064383 808387891 /nfs/dbraw/zinc/38/78/91/808387891.db2.gz XUZDHODCTSBCTB-UHFFFAOYSA-N -1 1 349.774 2.208 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3ccccc3OC(F)(F)F)ccnc1-2 ZINC000791285551 809172489 /nfs/dbraw/zinc/17/24/89/809172489.db2.gz IFOFHRIPXHUEJG-UHFFFAOYSA-N -1 1 336.273 2.493 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nc(C(C)(C)C)ns1 ZINC001113575125 809273768 /nfs/dbraw/zinc/27/37/68/809273768.db2.gz NIEGEUPJPFACTP-SNVBAGLBSA-N -1 1 349.460 2.191 20 0 EEADMM C[C@H]1CC[C@H](N2CCC[C@H]2C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC001170156462 809300518 /nfs/dbraw/zinc/30/05/18/809300518.db2.gz FWTHILOPXJQUPQ-AVGNSLFASA-N -1 1 342.486 2.206 20 0 EEADMM Cc1ccc(NCC2(NC(=O)c3ncccc3[O-])CCCCC2)nn1 ZINC001114156785 810491386 /nfs/dbraw/zinc/49/13/86/810491386.db2.gz FVLBAUOUKGRSCL-UHFFFAOYSA-N -1 1 341.415 2.430 20 0 EEADMM COc1cccc(SC)c1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC001129824390 811003203 /nfs/dbraw/zinc/00/32/03/811003203.db2.gz XEUXRDWOKFCQPQ-UHFFFAOYSA-N -1 1 329.385 2.416 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)Nc1ccccc1Cc1ccccc1 ZINC000805603289 811364374 /nfs/dbraw/zinc/36/43/74/811364374.db2.gz KSSKLNCXBLEJIY-UHFFFAOYSA-N -1 1 336.351 2.191 20 0 EEADMM O=C(COCc1ccccn1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000805695262 811470299 /nfs/dbraw/zinc/47/02/99/811470299.db2.gz OEFOZQWZWUGHBM-UHFFFAOYSA-N -1 1 341.319 2.154 20 0 EEADMM O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)c1ccc([O-])cc1 ZINC000806505378 811887022 /nfs/dbraw/zinc/88/70/22/811887022.db2.gz MOJQBHSTACFEES-UHFFFAOYSA-N -1 1 348.358 2.424 20 0 EEADMM Cc1ccc(Sc2nsc([N-]C(=O)c3cnn(C)n3)n2)cc1 ZINC000806946636 812042545 /nfs/dbraw/zinc/04/25/45/812042545.db2.gz MIRQYWWYQDQJQI-UHFFFAOYSA-N -1 1 332.414 2.379 20 0 EEADMM O=C(CNC(=O)C(=O)c1ccc([O-])cc1)OCc1ccc(Cl)cc1 ZINC000807243325 812160084 /nfs/dbraw/zinc/16/00/84/812160084.db2.gz ZVDNHAYNANZHGQ-UHFFFAOYSA-N -1 1 347.754 2.088 20 0 EEADMM COCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808124617 812465269 /nfs/dbraw/zinc/46/52/69/812465269.db2.gz XKGYEYSOLCGSHN-UHFFFAOYSA-N -1 1 333.365 2.304 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000902084673 939283707 /nfs/dbraw/zinc/28/37/07/939283707.db2.gz QLEBKDCFBQZKDI-HXUWFJFHSA-N -1 1 340.423 2.277 20 0 EEADMM Brc1cncnc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001573281413 946677085 /nfs/dbraw/zinc/67/70/85/946677085.db2.gz YLGPBFBQZANBAC-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1Cl ZINC000826209898 947613352 /nfs/dbraw/zinc/61/33/52/947613352.db2.gz VUFGNORTDFHJNI-UHFFFAOYSA-N -1 1 348.750 2.006 20 0 EEADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826209898 947613358 /nfs/dbraw/zinc/61/33/58/947613358.db2.gz VUFGNORTDFHJNI-UHFFFAOYSA-N -1 1 348.750 2.006 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826347493 948055314 /nfs/dbraw/zinc/05/53/14/948055314.db2.gz SYTXQNDSLIIWAG-PWSUYJOCSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826347493 948055322 /nfs/dbraw/zinc/05/53/22/948055322.db2.gz SYTXQNDSLIIWAG-PWSUYJOCSA-N -1 1 332.408 2.038 20 0 EEADMM COc1ccccc1C[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001570925746 948675125 /nfs/dbraw/zinc/67/51/25/948675125.db2.gz PJVPMVIXTWLPKP-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM COc1ccccc1C[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001570925746 948675127 /nfs/dbraw/zinc/67/51/27/948675127.db2.gz PJVPMVIXTWLPKP-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccco1 ZINC001573755941 948790339 /nfs/dbraw/zinc/79/03/39/948790339.db2.gz VNZDRHWXGPKDDN-VIFPVBQESA-N -1 1 329.364 2.153 20 0 EEADMM C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccco1 ZINC001573755941 948790347 /nfs/dbraw/zinc/79/03/47/948790347.db2.gz VNZDRHWXGPKDDN-VIFPVBQESA-N -1 1 329.364 2.153 20 0 EEADMM CC(=O)c1cccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001570934156 948924817 /nfs/dbraw/zinc/92/48/17/948924817.db2.gz BHOPTUVIQNKHJI-UHFFFAOYSA-N -1 1 339.330 2.138 20 0 EEADMM CC(=O)c1cccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001570934156 948924830 /nfs/dbraw/zinc/92/48/30/948924830.db2.gz BHOPTUVIQNKHJI-UHFFFAOYSA-N -1 1 339.330 2.138 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC001570936173 949017837 /nfs/dbraw/zinc/01/78/37/949017837.db2.gz XILNJORZNRCKRT-UHFFFAOYSA-N -1 1 336.327 2.186 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC001570936173 949017853 /nfs/dbraw/zinc/01/78/53/949017853.db2.gz XILNJORZNRCKRT-UHFFFAOYSA-N -1 1 336.327 2.186 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001574692982 949045637 /nfs/dbraw/zinc/04/56/37/949045637.db2.gz FKJSGLQYSJVJMH-LBPRGKRZSA-N -1 1 338.371 2.305 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001574692982 949045657 /nfs/dbraw/zinc/04/56/57/949045657.db2.gz FKJSGLQYSJVJMH-LBPRGKRZSA-N -1 1 338.371 2.305 20 0 EEADMM CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001570943244 949345247 /nfs/dbraw/zinc/34/52/47/949345247.db2.gz YJDMKKHAISWXPA-UHFFFAOYSA-N -1 1 342.790 2.116 20 0 EEADMM CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001570943244 949345270 /nfs/dbraw/zinc/34/52/70/949345270.db2.gz 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O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCO3)ccc1F ZINC000782261029 978792711 /nfs/dbraw/zinc/79/27/11/978792711.db2.gz HVOBXXGQQXCDRS-UHFFFAOYSA-N -1 1 339.300 2.053 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000842667498 979323676 /nfs/dbraw/zinc/32/36/76/979323676.db2.gz AQYWFDUCJVDLAZ-ZIAGYGMSSA-N -1 1 342.399 2.021 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)CC1 ZINC000864159367 979773490 /nfs/dbraw/zinc/77/34/90/979773490.db2.gz FESVNTPZLNDPAO-MFBWXBCUSA-N -1 1 341.411 2.189 20 0 EEADMM CC[C@@H](Cc1cn(CCN(C)Cc2cccc(F)c2)nn1)C(=O)[O-] ZINC001595218125 980030210 /nfs/dbraw/zinc/03/02/10/980030210.db2.gz JXSRUHPGLDOFHS-AWEZNQCLSA-N -1 1 334.395 2.203 20 0 EEADMM Cc1ccnc(CN[C@@]2(CC(=O)[O-])CCCOC2)c1Br ZINC000901524078 980346794 /nfs/dbraw/zinc/34/67/94/980346794.db2.gz NGQQURJMIXSBAX-CQSZACIVSA-N -1 1 343.221 2.266 20 0 EEADMM COCCN(CCC(=O)[O-])Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000901662495 980432471 /nfs/dbraw/zinc/43/24/71/980432471.db2.gz 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ZINC000739284995 578046840 /nfs/dbraw/zinc/04/68/40/578046840.db2.gz ANKDKIROIQDPBF-UHFFFAOYSA-N -1 1 332.400 2.216 20 0 EEADMM C[C@@H](O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736150205 578183419 /nfs/dbraw/zinc/18/34/19/578183419.db2.gz XTKJFTSMACOUHD-LLVKDONJSA-N -1 1 347.382 2.475 20 0 EEADMM C[C@@H](O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736150205 578183420 /nfs/dbraw/zinc/18/34/20/578183420.db2.gz XTKJFTSMACOUHD-LLVKDONJSA-N -1 1 347.382 2.475 20 0 EEADMM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)N1CCCCCC1 ZINC000736210514 578187384 /nfs/dbraw/zinc/18/73/84/578187384.db2.gz GFFDPJINQNIZAL-IAQYHMDHSA-N -1 1 340.370 2.471 20 0 EEADMM CC(C)(C)CN(CCCO)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736261508 578191654 /nfs/dbraw/zinc/19/16/54/578191654.db2.gz QOPXFQDATBKMNS-UHFFFAOYSA-N -1 1 328.434 2.115 20 0 EEADMM CCC[C@@H](NC(=O)C=C(C)Cc1ccccc1OC)c1nn[n-]n1 ZINC000736429979 578203484 /nfs/dbraw/zinc/20/34/84/578203484.db2.gz QTIYMRMPHQOWCV-GCZGRYASSA-N -1 1 329.404 2.355 20 0 EEADMM CCC[C@@H](NC(=O)/C=C(\C)Cc1ccccc1OC)c1nn[n-]n1 ZINC000736429979 578203485 /nfs/dbraw/zinc/20/34/85/578203485.db2.gz QTIYMRMPHQOWCV-GCZGRYASSA-N -1 1 329.404 2.355 20 0 EEADMM CCONC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736629227 578215012 /nfs/dbraw/zinc/21/50/12/578215012.db2.gz VTQFXSRZWPVQKS-UHFFFAOYSA-N -1 1 343.318 2.479 20 0 EEADMM CCONC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736629227 578215013 /nfs/dbraw/zinc/21/50/13/578215013.db2.gz VTQFXSRZWPVQKS-UHFFFAOYSA-N -1 1 343.318 2.479 20 0 EEADMM COc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1OC(C)C ZINC000737048013 578235030 /nfs/dbraw/zinc/23/50/30/578235030.db2.gz WMNOWRVTYXKDTL-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1OC(C)C ZINC000737048013 578235031 /nfs/dbraw/zinc/23/50/31/578235031.db2.gz WMNOWRVTYXKDTL-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])CC(C)(C)O ZINC000737068707 578236129 /nfs/dbraw/zinc/23/61/29/578236129.db2.gz BLAYHTLUBASQFQ-UHFFFAOYSA-N -1 1 328.434 2.094 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737098930 578238000 /nfs/dbraw/zinc/23/80/00/578238000.db2.gz ILTYUCAOCUJFEP-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737098930 578238001 /nfs/dbraw/zinc/23/80/01/578238001.db2.gz ILTYUCAOCUJFEP-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM Cc1cc(C)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c(=O)[nH]1 ZINC000737246645 578245915 /nfs/dbraw/zinc/24/59/15/578245915.db2.gz NTOGNLNOTSKWLD-UHFFFAOYSA-N -1 1 348.370 2.139 20 0 EEADMM Cc1cc(C)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c(=O)[nH]1 ZINC000737246645 578245916 /nfs/dbraw/zinc/24/59/16/578245916.db2.gz NTOGNLNOTSKWLD-UHFFFAOYSA-N -1 1 348.370 2.139 20 0 EEADMM Cc1ccc(C(=O)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737309362 578249577 /nfs/dbraw/zinc/24/95/77/578249577.db2.gz SUHCGPRUJHJFTK-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM Cc1ccc(C(=O)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737309362 578249578 /nfs/dbraw/zinc/24/95/78/578249578.db2.gz SUHCGPRUJHJFTK-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737489063 578260384 /nfs/dbraw/zinc/26/03/84/578260384.db2.gz VCEDBTWLRARRSP-LBPRGKRZSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737489063 578260385 /nfs/dbraw/zinc/26/03/85/578260385.db2.gz VCEDBTWLRARRSP-LBPRGKRZSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1oc(-c2ccccc2F)nc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000737549570 578263455 /nfs/dbraw/zinc/26/34/55/578263455.db2.gz ZDOPFIUFAWGBIS-VIFPVBQESA-N -1 1 344.350 2.178 20 0 EEADMM Cc1oc(-c2ccccc2)nc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737547436 578263670 /nfs/dbraw/zinc/26/36/70/578263670.db2.gz JHGBJFUMEZFXFY-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Clc1ccc(NC[C@H]2Cc3ccccc3O2)nc1-c1nnn[n-]1 ZINC000737574753 578264936 /nfs/dbraw/zinc/26/49/36/578264936.db2.gz OTCAJZZLIRYEDE-SNVBAGLBSA-N -1 1 328.763 2.331 20 0 EEADMM Clc1ccc(NC[C@H]2Cc3ccccc3O2)nc1-c1nn[n-]n1 ZINC000737574753 578264937 /nfs/dbraw/zinc/26/49/37/578264937.db2.gz OTCAJZZLIRYEDE-SNVBAGLBSA-N -1 1 328.763 2.331 20 0 EEADMM Clc1ccc(N2CCCC3(CCOCC3)C2)nc1-c1nnn[n-]1 ZINC000822578715 599045084 /nfs/dbraw/zinc/04/50/84/599045084.db2.gz OKGGOOLQQZRFOZ-UHFFFAOYSA-N -1 1 334.811 2.312 20 0 EEADMM Clc1ccc(N2CCCC3(CCOCC3)C2)nc1-c1nn[n-]n1 ZINC000822578715 599045087 /nfs/dbraw/zinc/04/50/87/599045087.db2.gz OKGGOOLQQZRFOZ-UHFFFAOYSA-N -1 1 334.811 2.312 20 0 EEADMM Cc1nc([C@H]2CCCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)n[nH]1 ZINC000818994730 597122152 /nfs/dbraw/zinc/12/21/52/597122152.db2.gz QGTMTEVOGFMWCQ-ZDUSSCGKSA-N -1 1 343.387 2.152 20 0 EEADMM NC(=S)C(=Cc1ccc(-c2nnn[n-]2)o1)c1nc2ccccc2[nH]1 ZINC000822889676 599380272 /nfs/dbraw/zinc/38/02/72/599380272.db2.gz AVWXOUSKEBZTGJ-CLFYSBASSA-N -1 1 337.368 2.163 20 0 EEADMM NC(=S)C(=Cc1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2[nH]1 ZINC000822889676 599380275 /nfs/dbraw/zinc/38/02/75/599380275.db2.gz AVWXOUSKEBZTGJ-CLFYSBASSA-N -1 1 337.368 2.163 20 0 EEADMM Cn1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000822674120 599527227 /nfs/dbraw/zinc/52/72/27/599527227.db2.gz LQIUEQBQHFVSPZ-INIZCTEOSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000822674120 599527229 /nfs/dbraw/zinc/52/72/29/599527229.db2.gz LQIUEQBQHFVSPZ-INIZCTEOSA-N -1 1 346.398 2.490 20 0 EEADMM C[C@@H]1CCc2c(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])csc2C1 ZINC000320714941 599778096 /nfs/dbraw/zinc/77/80/96/599778096.db2.gz UXZSASBPIFMBIZ-RNCFNFMXSA-N -1 1 333.413 2.022 20 0 EEADMM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC000405312427 600306986 /nfs/dbraw/zinc/30/69/86/600306986.db2.gz FXLYNHPPULJZTL-CQSZACIVSA-N -1 1 329.352 2.185 20 0 EEADMM O=C([O-])[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F ZINC000833167620 600744778 /nfs/dbraw/zinc/74/47/78/600744778.db2.gz OHPPSMBEPXMNRB-PXAZEXFGSA-N -1 1 328.343 2.347 20 0 EEADMM CC[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CCN1CCOC ZINC000829162757 600812629 /nfs/dbraw/zinc/81/26/29/600812629.db2.gz UBPXXJCYSKYILR-VIFPVBQESA-N -1 1 333.841 2.042 20 0 EEADMM O=C([O-])CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCOCC1 ZINC000238077250 600966243 /nfs/dbraw/zinc/96/62/43/600966243.db2.gz OXLLRGODTXLLPI-UHFFFAOYSA-N -1 1 349.412 2.234 20 0 EEADMM NC(=O)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000833082108 600981764 /nfs/dbraw/zinc/98/17/64/600981764.db2.gz ZXXZUKKMAQNEMV-GFCCVEGCSA-N -1 1 331.199 2.316 20 0 EEADMM CCC[C@](C)(NCC(=O)NCCc1nc2ccccc2s1)C(=O)[O-] ZINC000829193683 601007903 /nfs/dbraw/zinc/00/79/03/601007903.db2.gz DPGCUDURRHFVDT-KRWDZBQOSA-N -1 1 349.456 2.188 20 0 EEADMM C[C@](NCC(=O)Nc1nc2ccc(F)cc2s1)(C(=O)[O-])C1CC1 ZINC000827729243 601040207 /nfs/dbraw/zinc/04/02/07/601040207.db2.gz YJDMWFXCLKJCIX-OAHLLOKOSA-N -1 1 337.376 2.217 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832244599 601040866 /nfs/dbraw/zinc/04/08/66/601040866.db2.gz FKOWKTAHMIRBTI-IEBWSBKVSA-N -1 1 346.427 2.105 20 0 EEADMM CCOCc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830022698 601131766 /nfs/dbraw/zinc/13/17/66/601131766.db2.gz XLJZHGIXMLWRHH-AWEZNQCLSA-N -1 1 349.431 2.236 20 0 EEADMM COc1ccc(CN(C(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832304379 601176847 /nfs/dbraw/zinc/17/68/47/601176847.db2.gz KWKDBFVUSHDRPS-LJQANCHMSA-N -1 1 346.427 2.029 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000830581980 601365894 /nfs/dbraw/zinc/36/58/94/601365894.db2.gz UPFRHNMDXOJONG-LBPRGKRZSA-N -1 1 339.461 2.295 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccccc2)CO1 ZINC000824992716 607508152 /nfs/dbraw/zinc/50/81/52/607508152.db2.gz NQMLLIDMZALJCY-GUYCJALGSA-N -1 1 336.399 2.224 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421490 601534051 /nfs/dbraw/zinc/53/40/51/601534051.db2.gz GEBFVZZQNBEWKX-MXWKQRLJSA-N -1 1 342.342 2.268 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C1(C)C ZINC000831526975 601539900 /nfs/dbraw/zinc/53/99/00/601539900.db2.gz QRIQFRCVIZZUIZ-SUMWQHHRSA-N -1 1 340.464 2.026 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000831371344 601566396 /nfs/dbraw/zinc/56/63/96/601566396.db2.gz VWNKAKMYMOMWDQ-TUAOUCFPSA-N -1 1 348.399 2.229 20 0 EEADMM CC(C)[C@@H](C)N(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826681896 601874008 /nfs/dbraw/zinc/87/40/08/601874008.db2.gz UATPHZBLZNBXPI-GFCCVEGCSA-N -1 1 333.388 2.087 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CC[C@@H](CO)CC3)c12 ZINC000833002961 601934945 /nfs/dbraw/zinc/93/49/45/601934945.db2.gz JWAISUMWSLBBNH-PHIMTYICSA-N -1 1 335.429 2.391 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@](C)(C(=O)[O-])C1 ZINC000832000265 601942787 /nfs/dbraw/zinc/94/27/87/601942787.db2.gz LIEIYJQSHVLZMZ-INIZCTEOSA-N -1 1 340.807 2.392 20 0 EEADMM Cc1cccc([C@@H](C)S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826296003 607537776 /nfs/dbraw/zinc/53/77/76/607537776.db2.gz GLKLTCUHCNSIGP-GFCCVEGCSA-N -1 1 343.412 2.246 20 0 EEADMM Cc1cccc([C@@H](C)S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826296003 607537777 /nfs/dbraw/zinc/53/77/77/607537777.db2.gz GLKLTCUHCNSIGP-GFCCVEGCSA-N -1 1 343.412 2.246 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)N2CCCC2)o1 ZINC000832924665 602066877 /nfs/dbraw/zinc/06/68/77/602066877.db2.gz XQANDUDUSNJSAW-RDTXWAMCSA-N -1 1 349.431 2.231 20 0 EEADMM COc1cc(C)c(NCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826178137 607545488 /nfs/dbraw/zinc/54/54/88/607545488.db2.gz LOCOWUJLFANRJF-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1cc(C)c(NCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826178137 607545490 /nfs/dbraw/zinc/54/54/90/607545490.db2.gz LOCOWUJLFANRJF-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM CC[C@@]1(C)CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829050399 602239837 /nfs/dbraw/zinc/23/98/37/602239837.db2.gz QKCNZUWIWAQDEP-SFHVURJKSA-N -1 1 348.399 2.232 20 0 EEADMM C[C@@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C[C@H]1n1ccnc1 ZINC000828296427 602304897 /nfs/dbraw/zinc/30/48/97/602304897.db2.gz YEDFFZVJEXLCRX-CZUORRHYSA-N -1 1 339.399 2.472 20 0 EEADMM CCCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825271503 607573291 /nfs/dbraw/zinc/57/32/91/607573291.db2.gz KLTAZZJZJPTGNY-UHFFFAOYSA-N -1 1 343.840 2.379 20 0 EEADMM CCCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825271503 607573292 /nfs/dbraw/zinc/57/32/92/607573292.db2.gz KLTAZZJZJPTGNY-UHFFFAOYSA-N -1 1 343.840 2.379 20 0 EEADMM O=S(=O)(NC1CCCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488330 607574328 /nfs/dbraw/zinc/57/43/28/607574328.db2.gz NOJQJEHCBILFIT-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM O=S(=O)(NC1CCCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488330 607574331 /nfs/dbraw/zinc/57/43/31/607574331.db2.gz NOJQJEHCBILFIT-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833394350 604631690 /nfs/dbraw/zinc/63/16/90/604631690.db2.gz QLSKNONYDGBBJL-NVXWUHKLSA-N -1 1 325.368 2.295 20 0 EEADMM C[C@@H](CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1)C(=O)[O-] ZINC000827449905 604738977 /nfs/dbraw/zinc/73/89/77/604738977.db2.gz QJCKTDHCMXWCBT-AWEZNQCLSA-N -1 1 345.443 2.410 20 0 EEADMM Cc1cc(CN2CCOC3(CCOCC3)C2)cc(C)c1OCC(=O)[O-] ZINC000833745465 604758287 /nfs/dbraw/zinc/75/82/87/604758287.db2.gz JTHHUNWEFJULSJ-UHFFFAOYSA-N -1 1 349.427 2.148 20 0 EEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000833685278 604916939 /nfs/dbraw/zinc/91/69/39/604916939.db2.gz JBLXDHXMKVWGFW-ZIAGYGMSSA-N -1 1 335.404 2.149 20 0 EEADMM O=C([O-])[C@H](NCc1cccc(N2CCCC2=O)c1)c1cccnc1 ZINC000833170123 604993762 /nfs/dbraw/zinc/99/37/62/604993762.db2.gz PHNQYNHCOLACNX-QGZVFWFLSA-N -1 1 325.368 2.124 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)n[nH]1 ZINC000833512134 605019645 /nfs/dbraw/zinc/01/96/45/605019645.db2.gz IQAFYBACRXKYIM-SNVBAGLBSA-N -1 1 347.375 2.274 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833448623 605079495 /nfs/dbraw/zinc/07/94/95/605079495.db2.gz ACZITFFLNRRVNO-HNNXBMFYSA-N -1 1 329.400 2.062 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC000833603024 605105543 /nfs/dbraw/zinc/10/55/43/605105543.db2.gz DELIOXNNQXCTFS-IJEWVQPXSA-N -1 1 348.443 2.343 20 0 EEADMM CC(C)[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833466347 605159464 /nfs/dbraw/zinc/15/94/64/605159464.db2.gz XIDMYNZDQMFCQX-MAUKXSAKSA-N -1 1 332.444 2.434 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2cccc(F)c2)CCC1 ZINC000833620532 605165014 /nfs/dbraw/zinc/16/50/14/605165014.db2.gz LAYJNZFCJSENAY-AWEZNQCLSA-N -1 1 348.418 2.255 20 0 EEADMM C[C@H]1CN(C(=S)NCCCC(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833625249 605179862 /nfs/dbraw/zinc/17/98/62/605179862.db2.gz TYHONZIZIKJZBB-GJZGRUSLSA-N -1 1 349.500 2.321 20 0 EEADMM CC1(C)C[C@@H](N(CC(=O)NCC(=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC000833556397 605247090 /nfs/dbraw/zinc/24/70/90/605247090.db2.gz VMWKEKQZFDTTNZ-OAHLLOKOSA-N -1 1 348.443 2.036 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN3CCC(CC(=O)[O-])CC3)C2)c1 ZINC000833752154 605347111 /nfs/dbraw/zinc/34/71/11/605347111.db2.gz BUVCWWKYJQNMNX-QGZVFWFLSA-N -1 1 330.428 2.455 20 0 EEADMM C/C(=C\c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833382108 605473612 /nfs/dbraw/zinc/47/36/12/605473612.db2.gz BWKVXCLPEHVIEB-STTHAQSSSA-N -1 1 330.428 2.406 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000833730637 605596829 /nfs/dbraw/zinc/59/68/29/605596829.db2.gz KPKBWELWSWWCDH-UKRRQHHQSA-N -1 1 336.432 2.270 20 0 EEADMM COc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1Br ZINC000821723840 606139503 /nfs/dbraw/zinc/13/95/03/606139503.db2.gz KGNSTOFDTQDTSV-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1Br ZINC000821723840 606139505 /nfs/dbraw/zinc/13/95/05/606139505.db2.gz KGNSTOFDTQDTSV-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM Cc1ccc([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822229350 606156704 /nfs/dbraw/zinc/15/67/04/606156704.db2.gz SBXPOMBUOWCHST-LLVKDONJSA-N -1 1 340.391 2.134 20 0 EEADMM Cc1ccc([C@@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822229350 606156706 /nfs/dbraw/zinc/15/67/06/606156706.db2.gz SBXPOMBUOWCHST-LLVKDONJSA-N -1 1 340.391 2.134 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820120833 606160593 /nfs/dbraw/zinc/16/05/93/606160593.db2.gz KXKVLRSYJAIIFJ-UHFFFAOYSA-N -1 1 346.420 2.104 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820120833 606160595 /nfs/dbraw/zinc/16/05/95/606160595.db2.gz KXKVLRSYJAIIFJ-UHFFFAOYSA-N -1 1 346.420 2.104 20 0 EEADMM C[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623787 606242929 /nfs/dbraw/zinc/24/29/29/606242929.db2.gz YPGSRXKVVRVNOD-JVXZTZIISA-N -1 1 328.829 2.330 20 0 EEADMM C[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623787 606242930 /nfs/dbraw/zinc/24/29/30/606242930.db2.gz YPGSRXKVVRVNOD-JVXZTZIISA-N -1 1 328.829 2.330 20 0 EEADMM CN(C(=O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000821570591 606243724 /nfs/dbraw/zinc/24/37/24/606243724.db2.gz BZPDKFRICHVEJH-UHFFFAOYSA-N -1 1 349.826 2.118 20 0 EEADMM CN(C(=O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000821570591 606243725 /nfs/dbraw/zinc/24/37/25/606243725.db2.gz BZPDKFRICHVEJH-UHFFFAOYSA-N -1 1 349.826 2.118 20 0 EEADMM CCOc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nc1 ZINC000821422125 606360830 /nfs/dbraw/zinc/36/08/30/606360830.db2.gz OHGWGEHRQPXCHA-UHFFFAOYSA-N -1 1 348.366 2.024 20 0 EEADMM Cn1cc([C@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)cn1 ZINC000822673799 606463074 /nfs/dbraw/zinc/46/30/74/606463074.db2.gz BSRJWSJOLHUTHM-JTQLQIEISA-N -1 1 344.810 2.033 20 0 EEADMM Cn1cc([C@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)cn1 ZINC000822673799 606463075 /nfs/dbraw/zinc/46/30/75/606463075.db2.gz BSRJWSJOLHUTHM-JTQLQIEISA-N -1 1 344.810 2.033 20 0 EEADMM CCOCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821384144 606507134 /nfs/dbraw/zinc/50/71/34/606507134.db2.gz QZTGSKPUOHFHAO-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM CCOCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821384144 606507136 /nfs/dbraw/zinc/50/71/36/606507136.db2.gz QZTGSKPUOHFHAO-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822249009 606511869 /nfs/dbraw/zinc/51/18/69/606511869.db2.gz YBYXOVYIODYINZ-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822249009 606511871 /nfs/dbraw/zinc/51/18/71/606511871.db2.gz YBYXOVYIODYINZ-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM O=C(NCCOc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823214834 606512227 /nfs/dbraw/zinc/51/22/27/606512227.db2.gz CZVDNWXVUSYHSI-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM O=C(NCCOc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823214834 606512228 /nfs/dbraw/zinc/51/22/28/606512228.db2.gz CZVDNWXVUSYHSI-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM COC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821683571 606546063 /nfs/dbraw/zinc/54/60/63/606546063.db2.gz FABACKFRLIOWNN-NSHDSACASA-N -1 1 329.385 2.046 20 0 EEADMM COC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821683571 606546064 /nfs/dbraw/zinc/54/60/64/606546064.db2.gz FABACKFRLIOWNN-NSHDSACASA-N -1 1 329.385 2.046 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823436075 606751695 /nfs/dbraw/zinc/75/16/95/606751695.db2.gz GAMUCIFJPGHZDV-LSDHHAIUSA-N -1 1 335.367 2.184 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823436075 606751696 /nfs/dbraw/zinc/75/16/96/606751696.db2.gz GAMUCIFJPGHZDV-LSDHHAIUSA-N -1 1 335.367 2.184 20 0 EEADMM CC(C)CC[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820072084 606771522 /nfs/dbraw/zinc/77/15/22/606771522.db2.gz BBFXNZPIKSDPTO-GFCCVEGCSA-N -1 1 346.439 2.423 20 0 EEADMM CC(C)CC[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820072084 606771523 /nfs/dbraw/zinc/77/15/23/606771523.db2.gz BBFXNZPIKSDPTO-GFCCVEGCSA-N -1 1 346.439 2.423 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2ccsc2)C1 ZINC000823483512 606971068 /nfs/dbraw/zinc/97/10/68/606971068.db2.gz HHCWTVGCMYFVOE-JTQLQIEISA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2ccsc2)C1 ZINC000823483512 606971070 /nfs/dbraw/zinc/97/10/70/606971070.db2.gz HHCWTVGCMYFVOE-JTQLQIEISA-N -1 1 347.425 2.203 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823379751 607110434 /nfs/dbraw/zinc/11/04/34/607110434.db2.gz GZKVRLLENHHRMU-ZJUUUORDSA-N -1 1 330.348 2.205 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823379751 607110432 /nfs/dbraw/zinc/11/04/32/607110432.db2.gz GZKVRLLENHHRMU-ZJUUUORDSA-N -1 1 330.348 2.205 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](c2ccsc2)O1 ZINC000820774310 607116716 /nfs/dbraw/zinc/11/67/16/607116716.db2.gz AJPCERICYCAEPU-ZWNOBZJWSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](c2ccsc2)O1 ZINC000820774310 607116718 /nfs/dbraw/zinc/11/67/18/607116718.db2.gz AJPCERICYCAEPU-ZWNOBZJWSA-N -1 1 328.401 2.290 20 0 EEADMM CC(C)(CCC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000824152531 607835641 /nfs/dbraw/zinc/83/56/41/607835641.db2.gz GOFYXERBNHBKFQ-UHFFFAOYSA-N -1 1 325.376 2.044 20 0 EEADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000826003982 607899884 /nfs/dbraw/zinc/89/98/84/607899884.db2.gz CWDITYGPHRHYGH-HNNXBMFYSA-N -1 1 335.415 2.367 20 0 EEADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000826003982 607899885 /nfs/dbraw/zinc/89/98/85/607899885.db2.gz CWDITYGPHRHYGH-HNNXBMFYSA-N -1 1 335.415 2.367 20 0 EEADMM c1cc2c(s1)CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000826523619 608019406 /nfs/dbraw/zinc/01/94/06/608019406.db2.gz RQQQREMQGZFKLS-UHFFFAOYSA-N -1 1 335.396 2.434 20 0 EEADMM c1cc2c(s1)CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000826523619 608019407 /nfs/dbraw/zinc/01/94/07/608019407.db2.gz RQQQREMQGZFKLS-UHFFFAOYSA-N -1 1 335.396 2.434 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000825679867 608235992 /nfs/dbraw/zinc/23/59/92/608235992.db2.gz LLYZJSPOIULFSR-SECBINFHSA-N -1 1 338.799 2.447 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000825679867 608235993 /nfs/dbraw/zinc/23/59/93/608235993.db2.gz LLYZJSPOIULFSR-SECBINFHSA-N -1 1 338.799 2.447 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)c1ccccc1F ZINC000826451153 608244830 /nfs/dbraw/zinc/24/48/30/608244830.db2.gz SDJGIQPIPSTKEE-UHFFFAOYSA-N -1 1 349.272 2.442 20 0 EEADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1ccc(-c2nnn[n-]2)nn1 ZINC000824868017 608391369 /nfs/dbraw/zinc/39/13/69/608391369.db2.gz SGIKHZFHFIOEMI-ZETCQYMHSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1ccc(-c2nn[n-]n2)nn1 ZINC000824868017 608391370 /nfs/dbraw/zinc/39/13/70/608391370.db2.gz SGIKHZFHFIOEMI-ZETCQYMHSA-N -1 1 326.291 2.278 20 0 EEADMM COc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826191138 608426448 /nfs/dbraw/zinc/42/64/48/608426448.db2.gz XYWPMGXPFDWCBD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826191138 608426449 /nfs/dbraw/zinc/42/64/49/608426449.db2.gz XYWPMGXPFDWCBD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM FC(F)(F)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826367311 608433438 /nfs/dbraw/zinc/43/34/38/608433438.db2.gz UGEGKEXGIPDPMM-NSHDSACASA-N -1 1 335.293 2.242 20 0 EEADMM FC(F)(F)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826367311 608433441 /nfs/dbraw/zinc/43/34/41/608433441.db2.gz UGEGKEXGIPDPMM-NSHDSACASA-N -1 1 335.293 2.242 20 0 EEADMM CC(C)Cn1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C(C)C ZINC000824284663 608440175 /nfs/dbraw/zinc/44/01/75/608440175.db2.gz LQTXOHVZEUNTMI-UHFFFAOYSA-N -1 1 327.396 2.376 20 0 EEADMM CC(C)Cn1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C(C)C ZINC000824284663 608440176 /nfs/dbraw/zinc/44/01/76/608440176.db2.gz LQTXOHVZEUNTMI-UHFFFAOYSA-N -1 1 327.396 2.376 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccccc1Cn1cccn1 ZINC000826280796 608542761 /nfs/dbraw/zinc/54/27/61/608542761.db2.gz QEMHYEQOMKVNLN-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccsc2)O1 ZINC000824984894 608735529 /nfs/dbraw/zinc/73/55/29/608735529.db2.gz OXDKTZVWGQBOLR-QMTHXVAHSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccsc2)O1 ZINC000824984894 608735531 /nfs/dbraw/zinc/73/55/31/608735531.db2.gz OXDKTZVWGQBOLR-QMTHXVAHSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001020556352 675110055 /nfs/dbraw/zinc/11/00/55/675110055.db2.gz LEXSNNSPXWZVCG-MJBXVCDLSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2sc(N)nc2[O-])C1 ZINC000080665353 675465959 /nfs/dbraw/zinc/46/59/59/675465959.db2.gz SPFMFZMXVCPIDC-JIMOISOXSA-N -1 1 335.404 2.082 20 0 EEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)ccc1F ZINC000160473588 676261563 /nfs/dbraw/zinc/26/15/63/676261563.db2.gz KCDHKFJINPBVBI-UHFFFAOYSA-N -1 1 341.364 2.143 20 0 EEADMM COCc1nc(N2CCCN(c3ccc(C)cc3)CC2)cc(=O)[n-]1 ZINC000891934444 677715264 /nfs/dbraw/zinc/71/52/64/677715264.db2.gz STLWCLYLGMDPCW-UHFFFAOYSA-N -1 1 328.416 2.354 20 0 EEADMM Cc1cc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)sc1C ZINC000051417632 678204462 /nfs/dbraw/zinc/20/44/62/678204462.db2.gz AMJFTFMDHCVGTQ-UHFFFAOYSA-N -1 1 338.410 2.044 20 0 EEADMM CON(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000849407305 678861951 /nfs/dbraw/zinc/86/19/51/678861951.db2.gz VIMWZGCZZIQAPL-UHFFFAOYSA-N -1 1 347.651 2.418 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2Cc2ccc(F)cc2)c1[O-] ZINC001024396710 679889126 /nfs/dbraw/zinc/88/91/26/679889126.db2.gz SPHPTINNGZVJOM-HNNXBMFYSA-N -1 1 346.406 2.347 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@@H]1C=CCC1 ZINC000984801191 685276466 /nfs/dbraw/zinc/27/64/66/685276466.db2.gz KSCSMAQFJSMIHO-QLFBSQMISA-N -1 1 343.427 2.253 20 0 EEADMM CC1=C(C)C[C@@H](C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001024971126 681655451 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CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cnc(C)nc1 ZINC000803295331 1240043691 /nfs/dbraw/zinc/04/36/91/1240043691.db2.gz UKKMTEIDCARELA-UHFFFAOYSA-N -1 1 349.412 2.294 20 0 EEADMM Cc1ncc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cn1 ZINC000803488085 1240508146 /nfs/dbraw/zinc/50/81/46/1240508146.db2.gz TUFAGDGJVOVKPS-UHFFFAOYSA-N -1 1 328.303 2.172 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2[C@@H]1CCN2Cc1cncs1 ZINC001049432397 1240897669 /nfs/dbraw/zinc/89/76/69/1240897669.db2.gz FMQKZNVNTLEPEL-KBPBESRZSA-N -1 1 344.440 2.123 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCOc2ccccc2[C@H]1CO ZINC000903945866 1242643771 /nfs/dbraw/zinc/64/37/71/1242643771.db2.gz XXRRFPIHQNPVOG-QGZVFWFLSA-N -1 1 327.380 2.242 20 0 EEADMM CCc1cc(C)nc(N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001096651933 1243046366 /nfs/dbraw/zinc/04/63/66/1243046366.db2.gz QVFGLJAHSARQDE-AWEZNQCLSA-N -1 1 341.415 2.069 20 0 EEADMM CSc1ccnc(NC2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001057314473 1243230371 /nfs/dbraw/zinc/23/03/71/1243230371.db2.gz 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Cc1[n-][nH]c2ncnc(=NC(=O)C3(c4ccc5ncccc5c4)CC3)c1-2 ZINC001186076061 1278925738 /nfs/dbraw/zinc/92/57/38/1278925738.db2.gz HNVQQABDJKODMK-UHFFFAOYSA-N -1 1 344.378 2.253 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001186220122 1279013287 /nfs/dbraw/zinc/01/32/87/1279013287.db2.gz WVQZXSWIGVTWTN-UHFFFAOYSA-N -1 1 342.326 2.228 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)NC[C@H](C)C(=O)[O-])CCN1Cc1ccccc1 ZINC000704724802 1277560620 /nfs/dbraw/zinc/56/06/20/1277560620.db2.gz DUIXVADSSCZRFR-RDJZCZTQSA-N -1 1 347.459 2.259 20 0 EEADMM O=S(=O)([N-][C@@H]1CCCN(Cc2ccccc2)C1)c1nccs1 ZINC001187909273 1279696434 /nfs/dbraw/zinc/69/64/34/1279696434.db2.gz ZUMIJHTWJKDLAE-CQSZACIVSA-N -1 1 337.470 2.086 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(-c3ncccn3)c2)n1 ZINC001188397781 1279865654 /nfs/dbraw/zinc/86/56/54/1279865654.db2.gz RRKPWUPXWXTMAE-UHFFFAOYSA-N -1 1 337.339 2.296 20 0 EEADMM O=S(=O)([N-][C@@H]1C[C@H]1F)c1cc(F)c(Br)c(F)c1 ZINC001189053096 1280117999 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/nfs/dbraw/zinc/83/60/44/1351836044.db2.gz FRUGCBJFTNOZAP-LBPRGKRZSA-N -1 1 326.360 2.024 20 0 EEADMM C[C@@H](COc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609114898 1351849711 /nfs/dbraw/zinc/84/97/11/1351849711.db2.gz BEFCJDWGKCJWQH-JTQLQIEISA-N -1 1 345.384 2.082 20 0 EEADMM C[C@@H](COc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609114898 1351849714 /nfs/dbraw/zinc/84/97/14/1351849714.db2.gz BEFCJDWGKCJWQH-JTQLQIEISA-N -1 1 345.384 2.082 20 0 EEADMM C[C@@]1(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CCCO1 ZINC001609149292 1351862977 /nfs/dbraw/zinc/86/29/77/1351862977.db2.gz HVWLAXFGASOPFB-LBPRGKRZSA-N -1 1 328.298 2.262 20 0 EEADMM C[C@@]1(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CCCO1 ZINC001609149292 1351862979 /nfs/dbraw/zinc/86/29/79/1351862979.db2.gz HVWLAXFGASOPFB-LBPRGKRZSA-N -1 1 328.298 2.262 20 0 EEADMM CCC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OCC ZINC001609205536 1351890533 /nfs/dbraw/zinc/89/05/33/1351890533.db2.gz OLCFJXXECFPKJV-VIFPVBQESA-N -1 1 338.799 2.306 20 0 EEADMM CCC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OCC ZINC001609205536 1351890537 /nfs/dbraw/zinc/89/05/37/1351890537.db2.gz OLCFJXXECFPKJV-VIFPVBQESA-N -1 1 338.799 2.306 20 0 EEADMM CCCc1ncc(C(=O)OCc2cccnc2-c2nnn[n-]2)s1 ZINC001609218262 1351897534 /nfs/dbraw/zinc/89/75/34/1351897534.db2.gz UDODWVVFKNJPJZ-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM CCCc1ncc(C(=O)OCc2cccnc2-c2nn[n-]n2)s1 ZINC001609218262 1351897536 /nfs/dbraw/zinc/89/75/36/1351897536.db2.gz UDODWVVFKNJPJZ-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609252932 1351910163 /nfs/dbraw/zinc/91/01/63/1351910163.db2.gz DVMICQHGXGPUHN-LBPRGKRZSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609252932 1351910167 /nfs/dbraw/zinc/91/01/67/1351910167.db2.gz DVMICQHGXGPUHN-LBPRGKRZSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1noc([C@@H](C)Sc2nc(C)nc(C)c2-c2nn[n-]n2)n1 ZINC001609256209 1351912305 /nfs/dbraw/zinc/91/23/05/1351912305.db2.gz QPISFIQOYRNNCF-SSDOTTSWSA-N -1 1 332.393 2.072 20 0 EEADMM COc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609345118 1351939945 /nfs/dbraw/zinc/93/99/45/1351939945.db2.gz LELNSXXNZYCNGP-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609345118 1351939947 /nfs/dbraw/zinc/93/99/47/1351939947.db2.gz LELNSXXNZYCNGP-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM CSc1cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)ccn1 ZINC001609372337 1351950026 /nfs/dbraw/zinc/95/00/26/1351950026.db2.gz BYTVROOFRKAGGJ-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)ccn1 ZINC001609372337 1351950029 /nfs/dbraw/zinc/95/00/29/1351950029.db2.gz BYTVROOFRKAGGJ-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC23CC3)c1-c1nn[n-]n1 ZINC001609374226 1351950339 /nfs/dbraw/zinc/95/03/39/1351950339.db2.gz NHUSEFPXZDKKFW-NSHDSACASA-N -1 1 342.428 2.143 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H]1CCOC1 ZINC001609402889 1351962981 /nfs/dbraw/zinc/96/29/81/1351962981.db2.gz IIYAWFKXHCDKRH-JTQLQIEISA-N -1 1 345.790 2.180 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001609425616 1351972017 /nfs/dbraw/zinc/97/20/17/1351972017.db2.gz ZRCBRTIVJZYIIR-CYBMUJFWSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc3ccccc3c2[O-])c1-c1nn[nH]n1 ZINC001609444544 1351980689 /nfs/dbraw/zinc/98/06/89/1351980689.db2.gz IDNIRBWNDNWFNZ-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM Cc1nsc(NC[C@]2(O)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC001609466190 1351987746 /nfs/dbraw/zinc/98/77/46/1351987746.db2.gz HPKSQNIAVIILCU-MRXNPFEDSA-N -1 1 342.428 2.268 20 0 EEADMM Fc1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1Br ZINC001609491279 1351997164 /nfs/dbraw/zinc/99/71/64/1351997164.db2.gz UWEQSXCEVMZPRN-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1Br ZINC001609491279 1351997166 /nfs/dbraw/zinc/99/71/66/1351997166.db2.gz UWEQSXCEVMZPRN-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001609544404 1352011935 /nfs/dbraw/zinc/01/19/35/1352011935.db2.gz IWXQTFPBSLZWQV-UHFFFAOYSA-N -1 1 335.339 2.450 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001609544404 1352011936 /nfs/dbraw/zinc/01/19/36/1352011936.db2.gz IWXQTFPBSLZWQV-UHFFFAOYSA-N -1 1 335.339 2.450 20 0 EEADMM Cc1cccc(CO[N-]C(=O)[C@H]2CCCCN2Cc2ccncc2)n1 ZINC001333397230 1336033789 /nfs/dbraw/zinc/03/37/89/1336033789.db2.gz HFPWTNKQQBHQSP-GOSISDBHSA-N -1 1 340.427 2.388 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CC(=O)[O-])CC1 ZINC001609635301 1352046765 /nfs/dbraw/zinc/04/67/65/1352046765.db2.gz VAJXFWUJWKYNQF-CZUORRHYSA-N -1 1 346.427 2.202 20 0 EEADMM C[C@H](CN(Cc1ccccc1)CN1C[C@H]2CCC[C@H]2C1=O)C(=O)[O-] ZINC001609742546 1352074717 /nfs/dbraw/zinc/07/47/17/1352074717.db2.gz UMBGIHDOFPJUNV-DJIMGWMZSA-N -1 1 330.428 2.425 20 0 EEADMM C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001609762870 1352079033 /nfs/dbraw/zinc/07/90/33/1352079033.db2.gz MPPIKBSEVLGXCF-MRVPVSSYSA-N -1 1 330.369 2.138 20 0 EEADMM Cc1cc(C(=O)COCc2nn[n-]n2)c(C)n1Cc1cccs1 ZINC001339182234 1336971718 /nfs/dbraw/zinc/97/17/18/1336971718.db2.gz DHSGTVHUXHWHFO-UHFFFAOYSA-N -1 1 331.401 2.127 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC001609870158 1352107553 /nfs/dbraw/zinc/10/75/53/1352107553.db2.gz ZLHFCARAKFBFQX-BAABZTOOSA-N -1 1 334.391 2.236 20 0 EEADMM CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609927320 1352121581 /nfs/dbraw/zinc/12/15/81/1352121581.db2.gz YMAMJVCYBQFJRL-NVXWUHKLSA-N -1 1 347.459 2.198 20 0 EEADMM CCN(CC(OC)OC)C(=O)c1ccc(Br)cc1[O-] ZINC001347285864 1337501975 /nfs/dbraw/zinc/50/19/75/1337501975.db2.gz HKMBSPSGRZOIGU-UHFFFAOYSA-N -1 1 332.194 2.236 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC001348772174 1337574641 /nfs/dbraw/zinc/57/46/41/1337574641.db2.gz JXTINKYYULNERR-GFCCVEGCSA-N -1 1 349.387 2.132 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H]1CCOc2ccccc21 ZINC001351180562 1337793362 /nfs/dbraw/zinc/79/33/62/1337793362.db2.gz UXLCSAURQTZZTJ-SNVBAGLBSA-N -1 1 331.397 2.075 20 0 EEADMM CN(Cc1oncc1C(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001610126203 1352167773 /nfs/dbraw/zinc/16/77/73/1352167773.db2.gz OENMKKLCQAKKJP-GFCCVEGCSA-N -1 1 339.392 2.108 20 0 EEADMM Cc1nc(-c2ccc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)s2)cs1 ZINC001352587127 1337989637 /nfs/dbraw/zinc/98/96/37/1337989637.db2.gz WXVDRRQKILROFA-SECBINFHSA-N -1 1 346.441 2.323 20 0 EEADMM CON(C)C(=O)C1CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC001610275883 1352198317 /nfs/dbraw/zinc/19/83/17/1352198317.db2.gz XNZZXVAUFMXJPS-UHFFFAOYSA-N -1 1 340.807 2.270 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc2cccc(C)c2o1 ZINC001100515535 1338464928 /nfs/dbraw/zinc/46/49/28/1338464928.db2.gz UFVRXWHCIXDNBI-UHFFFAOYSA-N -1 1 340.383 2.493 20 0 EEADMM COc1ccc(-c2noc([C@H](C)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001610309634 1352203753 /nfs/dbraw/zinc/20/37/53/1352203753.db2.gz VLVGWLUPSDXJRC-OLRMPSLUSA-N -1 1 329.356 2.069 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)n[nH]1 ZINC001610459669 1352226432 /nfs/dbraw/zinc/22/64/32/1352226432.db2.gz QPCAOLZOXUVCIG-SNVBAGLBSA-N -1 1 345.403 2.235 20 0 EEADMM COC(=O)c1sc(C)cc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000849308612 1339151814 /nfs/dbraw/zinc/15/18/14/1339151814.db2.gz RBXBLZLVTUAXNI-JTQLQIEISA-N -1 1 333.431 2.011 20 0 EEADMM CON(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000849408590 1339156171 /nfs/dbraw/zinc/15/61/71/1339156171.db2.gz RWMQSYJVFXJCLX-UHFFFAOYSA-N -1 1 346.758 2.130 20 0 EEADMM Cc1nc([C@H](C)NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n[nH]1 ZINC001610573695 1352247326 /nfs/dbraw/zinc/24/73/26/1352247326.db2.gz ZFZQPMSWNSQFGM-ZETCQYMHSA-N -1 1 328.332 2.175 20 0 EEADMM O=C([O-])[C@@H](CF)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001610717223 1352263898 /nfs/dbraw/zinc/26/38/98/1352263898.db2.gz QXGPCHASLLYEQE-MRXNPFEDSA-N -1 1 340.358 2.447 20 0 EEADMM CC[C@H](CC(=O)NC[C@@H](NC(=O)c1cnn[nH]1)C(C)(C)C)C(C)C ZINC001428377198 1339487262 /nfs/dbraw/zinc/48/72/62/1339487262.db2.gz GDGSJRDSQOMGBV-TZMCWYRMSA-N -1 1 337.468 2.138 20 0 EEADMM O=C([O-])c1ccc(CNC[C@@](O)(c2ccccc2)C(F)(F)F)[nH]1 ZINC001610827683 1352281633 /nfs/dbraw/zinc/28/16/33/1352281633.db2.gz MWURZQNKVOSGHP-CQSZACIVSA-N -1 1 328.290 2.253 20 0 EEADMM CC1(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)CCCCCC1 ZINC001430381989 1340205019 /nfs/dbraw/zinc/20/50/19/1340205019.db2.gz HQJPDUKDTWUCEQ-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1ocnc1C[N-]S(=O)(=O)c1cscc1Br ZINC001434556698 1341871783 /nfs/dbraw/zinc/87/17/83/1341871783.db2.gz KWNIGTGXVCUQOT-UHFFFAOYSA-N -1 1 337.220 2.286 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1c(F)ccc2ccncc21 ZINC001557724651 1342453686 /nfs/dbraw/zinc/45/36/86/1342453686.db2.gz ZFIIUSAYCHZZIA-MRXNPFEDSA-N -1 1 348.341 2.406 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)on1 ZINC001574408305 1343675338 /nfs/dbraw/zinc/67/53/38/1343675338.db2.gz AKVQPHHMLIKZLK-UHFFFAOYSA-N -1 1 344.379 2.182 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)on1 ZINC001574408305 1343675340 /nfs/dbraw/zinc/67/53/40/1343675340.db2.gz AKVQPHHMLIKZLK-UHFFFAOYSA-N -1 1 344.379 2.182 20 0 EEADMM CCC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576532683 1344027293 /nfs/dbraw/zinc/02/72/93/1344027293.db2.gz QNRBVMBGVUEHQZ-UHFFFAOYSA-N -1 1 349.464 2.129 20 0 EEADMM CCCC(=O)NC[C@@H](CC)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577213928 1344107177 /nfs/dbraw/zinc/10/71/77/1344107177.db2.gz SDNMTJZRHQBLPA-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)NC[C@@H](CC)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577213928 1344107181 /nfs/dbraw/zinc/10/71/81/1344107181.db2.gz SDNMTJZRHQBLPA-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c2ncccc12 ZINC001581142929 1344592876 /nfs/dbraw/zinc/59/28/76/1344592876.db2.gz UDUZWXSOIGWILY-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c2ncccc12 ZINC001581142929 1344592877 /nfs/dbraw/zinc/59/28/77/1344592877.db2.gz UDUZWXSOIGWILY-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(Cl)c2F)c1-c1nnn[n-]1 ZINC001581174201 1344594963 /nfs/dbraw/zinc/59/49/63/1344594963.db2.gz JSZLSDVFLIGIDS-UHFFFAOYSA-N -1 1 349.757 2.262 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(Cl)c2F)c1-c1nn[n-]n1 ZINC001581174201 1344594967 /nfs/dbraw/zinc/59/49/67/1344594967.db2.gz JSZLSDVFLIGIDS-UHFFFAOYSA-N -1 1 349.757 2.262 20 0 EEADMM Cc1ccc(OCCNC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001581211067 1344597923 /nfs/dbraw/zinc/59/79/23/1344597923.db2.gz QPODVSFDDYPNSQ-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581258089 1344607648 /nfs/dbraw/zinc/60/76/48/1344607648.db2.gz DUBYJAGHRRPXQS-LBPRGKRZSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581258089 1344607652 /nfs/dbraw/zinc/60/76/52/1344607652.db2.gz DUBYJAGHRRPXQS-LBPRGKRZSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1nc2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)cc2o1 ZINC001581532386 1344636355 /nfs/dbraw/zinc/63/63/55/1344636355.db2.gz GTWNPVZDFGVNIV-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(N(C)C)cc2F)c1-c1nnn[n-]1 ZINC001581687017 1344654044 /nfs/dbraw/zinc/65/40/44/1344654044.db2.gz YXNICTFDBQGSCF-UHFFFAOYSA-N -1 1 347.379 2.089 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(N(C)C)cc2F)c1-c1nn[n-]n1 ZINC001581687017 1344654049 /nfs/dbraw/zinc/65/40/49/1344654049.db2.gz YXNICTFDBQGSCF-UHFFFAOYSA-N -1 1 347.379 2.089 20 0 EEADMM Clc1cc2c(cc1Sc1cncc(-c3nnn[n-]3)n1)OCCO2 ZINC001581746001 1344659559 /nfs/dbraw/zinc/65/95/59/1344659559.db2.gz FCISGQPSTJHMRZ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cc2c(cc1Sc1cncc(-c3nn[n-]n3)n1)OCCO2 ZINC001581746001 1344659566 /nfs/dbraw/zinc/65/95/66/1344659566.db2.gz FCISGQPSTJHMRZ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc(Cl)cc21 ZINC001582137563 1344705647 /nfs/dbraw/zinc/70/56/47/1344705647.db2.gz AZMSUNCBWLZQSA-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc(Cl)cc21 ZINC001582137563 1344705652 /nfs/dbraw/zinc/70/56/52/1344705652.db2.gz AZMSUNCBWLZQSA-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(NCc1cc(O)ccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC001582545702 1344759652 /nfs/dbraw/zinc/75/96/52/1344759652.db2.gz WEKMJAWKTGBFEA-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM O=C(NCc1cc(O)ccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC001582545702 1344759654 /nfs/dbraw/zinc/75/96/54/1344759654.db2.gz WEKMJAWKTGBFEA-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM O=C(O[C@H]1CCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001582656054 1344779149 /nfs/dbraw/zinc/77/91/49/1344779149.db2.gz OARWFZHNTXSPCO-JTQLQIEISA-N -1 1 330.275 2.279 20 0 EEADMM C[C@H](C(=O)C(C)(C)C)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001588936977 1348949210 /nfs/dbraw/zinc/94/92/10/1348949210.db2.gz PSFUFMRHQIJOCK-SNVBAGLBSA-N -1 1 325.372 2.358 20 0 EEADMM CC(C)(C)c1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589221553 1348971633 /nfs/dbraw/zinc/97/16/33/1348971633.db2.gz HVFFCURSNUHIFA-UHFFFAOYSA-N -1 1 336.399 2.489 20 0 EEADMM CC(C)(C)c1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589221553 1348971635 /nfs/dbraw/zinc/97/16/35/1348971635.db2.gz HVFFCURSNUHIFA-UHFFFAOYSA-N -1 1 336.399 2.489 20 0 EEADMM CC(C)(Cc1ccccc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589307711 1348982181 /nfs/dbraw/zinc/98/21/81/1348982181.db2.gz IOABJPDARHLFEY-UHFFFAOYSA-N -1 1 342.428 2.208 20 0 EEADMM CC(C)(Cc1ccccc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589307711 1348982185 /nfs/dbraw/zinc/98/21/85/1348982185.db2.gz IOABJPDARHLFEY-UHFFFAOYSA-N -1 1 342.428 2.208 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589452151 1348991557 /nfs/dbraw/zinc/99/15/57/1348991557.db2.gz LUAKUZUYWQEIGK-HNNXBMFYSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589452151 1348991560 /nfs/dbraw/zinc/99/15/60/1348991560.db2.gz LUAKUZUYWQEIGK-HNNXBMFYSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)C[C@]1(C)CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589565943 1349004909 /nfs/dbraw/zinc/00/49/09/1349004909.db2.gz JPUXZODDQYLCCD-AWEZNQCLSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)COc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001589648021 1349015272 /nfs/dbraw/zinc/01/52/72/1349015272.db2.gz GVJKAPAIWLMNDB-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001589648021 1349015277 /nfs/dbraw/zinc/01/52/77/1349015277.db2.gz GVJKAPAIWLMNDB-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589754047 1349029993 /nfs/dbraw/zinc/02/99/93/1349029993.db2.gz FHTDWGGHNQHHPT-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589754047 1349029998 /nfs/dbraw/zinc/02/99/98/1349029998.db2.gz FHTDWGGHNQHHPT-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM C[C@@H](CCCC(F)(F)F)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589804240 1349048758 /nfs/dbraw/zinc/04/87/58/1349048758.db2.gz FRISRSKCXJSDDT-VIFPVBQESA-N -1 1 343.309 2.469 20 0 EEADMM C[C@@H](CCCC(F)(F)F)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589804240 1349048765 /nfs/dbraw/zinc/04/87/65/1349048765.db2.gz FRISRSKCXJSDDT-VIFPVBQESA-N -1 1 343.309 2.469 20 0 EEADMM C[C@@](O)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CCCCC1 ZINC001589992017 1349096994 /nfs/dbraw/zinc/09/69/94/1349096994.db2.gz WKIHNIQQYSYTLQ-QGZVFWFLSA-N -1 1 343.435 2.277 20 0 EEADMM C[C@@](O)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CCCCC1 ZINC001589992017 1349097000 /nfs/dbraw/zinc/09/70/00/1349097000.db2.gz WKIHNIQQYSYTLQ-QGZVFWFLSA-N -1 1 343.435 2.277 20 0 EEADMM CC1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCC(F)(F)CC1 ZINC001590070806 1349137008 /nfs/dbraw/zinc/13/70/08/1349137008.db2.gz JXHHZAFEATXIGZ-UHFFFAOYSA-N -1 1 328.348 2.477 20 0 EEADMM CC1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCC(F)(F)CC1 ZINC001590070806 1349137010 /nfs/dbraw/zinc/13/70/10/1349137010.db2.gz JXHHZAFEATXIGZ-UHFFFAOYSA-N -1 1 328.348 2.477 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590086787 1349145571 /nfs/dbraw/zinc/14/55/71/1349145571.db2.gz MOAXUSJZQSAEPD-GOSISDBHSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590086787 1349145578 /nfs/dbraw/zinc/14/55/78/1349145578.db2.gz MOAXUSJZQSAEPD-GOSISDBHSA-N -1 1 334.383 2.317 20 0 EEADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001590138346 1349170993 /nfs/dbraw/zinc/17/09/93/1349170993.db2.gz BYFXDHMGLRYWNY-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001590138346 1349170995 /nfs/dbraw/zinc/17/09/95/1349170995.db2.gz BYFXDHMGLRYWNY-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@H]1C[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186303 1349187048 /nfs/dbraw/zinc/18/70/48/1349187048.db2.gz CACVWZRQTHXUFA-JZYVYDRUSA-N -1 1 329.408 2.478 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590215777 1349204202 /nfs/dbraw/zinc/20/42/02/1349204202.db2.gz XPQLWKIPBMRCBC-LRDDRELGSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590215777 1349204207 /nfs/dbraw/zinc/20/42/07/1349204207.db2.gz XPQLWKIPBMRCBC-LRDDRELGSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)O1 ZINC001590232989 1349216204 /nfs/dbraw/zinc/21/62/04/1349216204.db2.gz XWYWQYVANRHWOG-KOLCDFICSA-N -1 1 345.790 2.403 20 0 EEADMM C[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCc2ccc(Cl)cc21 ZINC001590317091 1349261738 /nfs/dbraw/zinc/26/17/38/1349261738.db2.gz UFSRELBNABPAPM-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM C[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCc2ccc(Cl)cc21 ZINC001590317091 1349261743 /nfs/dbraw/zinc/26/17/43/1349261743.db2.gz UFSRELBNABPAPM-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590327152 1349267238 /nfs/dbraw/zinc/26/72/38/1349267238.db2.gz ZPJLUBJTZVOMEP-NSHDSACASA-N -1 1 341.419 2.072 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590327152 1349267242 /nfs/dbraw/zinc/26/72/42/1349267242.db2.gz ZPJLUBJTZVOMEP-NSHDSACASA-N -1 1 341.419 2.072 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590483281 1349351830 /nfs/dbraw/zinc/35/18/30/1349351830.db2.gz LRFCZCWLXIQWLT-HNNXBMFYSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590483281 1349351834 /nfs/dbraw/zinc/35/18/34/1349351834.db2.gz LRFCZCWLXIQWLT-HNNXBMFYSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590526082 1349364490 /nfs/dbraw/zinc/36/44/90/1349364490.db2.gz LOYFLSKXEMNFJB-AWEZNQCLSA-N -1 1 334.383 2.239 20 0 EEADMM CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590526082 1349364492 /nfs/dbraw/zinc/36/44/92/1349364492.db2.gz LOYFLSKXEMNFJB-AWEZNQCLSA-N -1 1 334.383 2.239 20 0 EEADMM CCCN(C(=O)c1c(C)noc1C)c1snc(C)c1-c1nnn[n-]1 ZINC001590617956 1349377231 /nfs/dbraw/zinc/37/72/31/1349377231.db2.gz FTQUKFQUSHQEIV-UHFFFAOYSA-N -1 1 347.404 2.293 20 0 EEADMM CCCN(C(=O)c1c(C)noc1C)c1snc(C)c1-c1nn[n-]n1 ZINC001590617956 1349377237 /nfs/dbraw/zinc/37/72/37/1349377237.db2.gz FTQUKFQUSHQEIV-UHFFFAOYSA-N -1 1 347.404 2.293 20 0 EEADMM CN(Cc1nccn1C(F)F)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591152598 1349441748 /nfs/dbraw/zinc/44/17/48/1349441748.db2.gz BNUZHQYQXBINPD-UHFFFAOYSA-N -1 1 346.754 2.205 20 0 EEADMM COC1CCC(CCNC(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001591351468 1349468064 /nfs/dbraw/zinc/46/80/64/1349468064.db2.gz RMVCUAMROPVXRS-UHFFFAOYSA-N -1 1 335.433 2.253 20 0 EEADMM COC1CCC(CCNC(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001591351468 1349468071 /nfs/dbraw/zinc/46/80/71/1349468071.db2.gz RMVCUAMROPVXRS-UHFFFAOYSA-N -1 1 335.433 2.253 20 0 EEADMM COc1ccccc1[C@@H](C)N(Cc1nc(-c2nnn[n-]2)cs1)OC ZINC001591646159 1349522253 /nfs/dbraw/zinc/52/22/53/1349522253.db2.gz BAUSSTFZTDTEBO-SNVBAGLBSA-N -1 1 346.416 2.456 20 0 EEADMM COc1ccccc1[C@@H](C)N(Cc1nc(-c2nn[n-]n2)cs1)OC ZINC001591646159 1349522263 /nfs/dbraw/zinc/52/22/63/1349522263.db2.gz BAUSSTFZTDTEBO-SNVBAGLBSA-N -1 1 346.416 2.456 20 0 EEADMM COc1cccc2cc(CNc3nc(C)cc(-c4nnn[n-]4)n3)oc21 ZINC001591644807 1349523337 /nfs/dbraw/zinc/52/33/37/1349523337.db2.gz QVEFTZUUJMQKKL-UHFFFAOYSA-N -1 1 337.343 2.332 20 0 EEADMM COc1cccc2cc(CNc3nc(C)cc(-c4nn[n-]n4)n3)oc21 ZINC001591644807 1349523342 /nfs/dbraw/zinc/52/33/42/1349523342.db2.gz QVEFTZUUJMQKKL-UHFFFAOYSA-N -1 1 337.343 2.332 20 0 EEADMM Cc1ccc(F)c(CN(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001592173906 1349601189 /nfs/dbraw/zinc/60/11/89/1349601189.db2.gz VFNJLHZZGBFABN-UHFFFAOYSA-N -1 1 341.350 2.373 20 0 EEADMM Cc1ccc(F)c(CN(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001592173906 1349601197 /nfs/dbraw/zinc/60/11/97/1349601197.db2.gz VFNJLHZZGBFABN-UHFFFAOYSA-N -1 1 341.350 2.373 20 0 EEADMM Cc1ccc(SCCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1C ZINC001592198765 1349605702 /nfs/dbraw/zinc/60/57/02/1349605702.db2.gz WSXSDQHUAFUHIW-UHFFFAOYSA-N -1 1 343.416 2.085 20 0 EEADMM Cc1ccc2c(n1)N(C(=O)c1ccc(-c3nnn[n-]3)s1)CCC2 ZINC001592202659 1349606956 /nfs/dbraw/zinc/60/69/56/1349606956.db2.gz IWZLXCURKFDZQJ-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1ccc2c(n1)N(C(=O)c1ccc(-c3nn[n-]n3)s1)CCC2 ZINC001592202659 1349606961 /nfs/dbraw/zinc/60/69/61/1349606961.db2.gz IWZLXCURKFDZQJ-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001592315507 1349621065 /nfs/dbraw/zinc/62/10/65/1349621065.db2.gz VTUGISRPAZTAFR-UHFFFAOYSA-N -1 1 332.389 2.198 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001592315507 1349621066 /nfs/dbraw/zinc/62/10/66/1349621066.db2.gz VTUGISRPAZTAFR-UHFFFAOYSA-N -1 1 332.389 2.198 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC001592468139 1349634535 /nfs/dbraw/zinc/63/45/35/1349634535.db2.gz CNGOLXKRSBKXBE-QMMMGPOBSA-N -1 1 332.389 2.381 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001592468139 1349634536 /nfs/dbraw/zinc/63/45/36/1349634536.db2.gz CNGOLXKRSBKXBE-QMMMGPOBSA-N -1 1 332.389 2.381 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC001592467777 1349634751 /nfs/dbraw/zinc/63/47/51/1349634751.db2.gz IAGNTAHHSYQHPL-VHSXEESVSA-N -1 1 346.441 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC001592467777 1349634752 /nfs/dbraw/zinc/63/47/52/1349634752.db2.gz IAGNTAHHSYQHPL-VHSXEESVSA-N -1 1 346.441 2.460 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cc2cn3ccccc3n2)no1 ZINC001592494760 1349637262 /nfs/dbraw/zinc/63/72/62/1349637262.db2.gz CKHMTVVAXVAVIP-UHFFFAOYSA-N -1 1 348.326 2.057 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cc2cn3ccccc3n2)no1 ZINC001592494760 1349637263 /nfs/dbraw/zinc/63/72/63/1349637263.db2.gz CKHMTVVAXVAVIP-UHFFFAOYSA-N -1 1 348.326 2.057 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001592501728 1349638096 /nfs/dbraw/zinc/63/80/96/1349638096.db2.gz UBOSIZFHRJNKIB-GFCCVEGCSA-N -1 1 343.318 2.161 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCOc2c(F)cccc21 ZINC001592501728 1349638097 /nfs/dbraw/zinc/63/80/97/1349638097.db2.gz UBOSIZFHRJNKIB-GFCCVEGCSA-N -1 1 343.318 2.161 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1C[C@]1(C)Br ZINC001592504021 1349640222 /nfs/dbraw/zinc/64/02/22/1349640222.db2.gz QCEPHSVMWDXSIF-KRTXAFLBSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1C[C@]1(C)Br ZINC001592504021 1349640223 /nfs/dbraw/zinc/64/02/23/1349640223.db2.gz QCEPHSVMWDXSIF-KRTXAFLBSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1C[C@@]1(C)Br ZINC001592504020 1349640618 /nfs/dbraw/zinc/64/06/18/1349640618.db2.gz QCEPHSVMWDXSIF-JVXZTZIISA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1C[C@@]1(C)Br ZINC001592504020 1349640621 /nfs/dbraw/zinc/64/06/21/1349640621.db2.gz QCEPHSVMWDXSIF-JVXZTZIISA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)F ZINC001592504576 1349642840 /nfs/dbraw/zinc/64/28/40/1349642840.db2.gz MQWVFFKBJQZJMQ-UHFFFAOYSA-N -1 1 332.339 2.037 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)F ZINC001592504576 1349642844 /nfs/dbraw/zinc/64/28/44/1349642844.db2.gz MQWVFFKBJQZJMQ-UHFFFAOYSA-N -1 1 332.339 2.037 20 0 EEADMM Clc1sc(N2CCC[C@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592541578 1349654163 /nfs/dbraw/zinc/65/41/63/1349654163.db2.gz FJDKDCFVXLJAAX-JGVFFNPUSA-N -1 1 326.813 2.124 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCC(C3CCC3)CC2)n1 ZINC001592559993 1349657568 /nfs/dbraw/zinc/65/75/68/1349657568.db2.gz RYCCSODMOIRFAO-UHFFFAOYSA-N -1 1 344.423 2.081 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCC(C3CCC3)CC2)n1 ZINC001592559993 1349657569 /nfs/dbraw/zinc/65/75/69/1349657569.db2.gz RYCCSODMOIRFAO-UHFFFAOYSA-N -1 1 344.423 2.081 20 0 EEADMM O=C(COC(=O)CSCc1cccs1)[N-]C(=O)c1ccccc1 ZINC000021719256 1349666285 /nfs/dbraw/zinc/66/62/85/1349666285.db2.gz RISUWAOJGDKVCR-UHFFFAOYSA-N -1 1 349.433 2.481 20 0 EEADMM FC(F)(F)[C@H]1CSCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001592616452 1349674118 /nfs/dbraw/zinc/67/41/18/1349674118.db2.gz XXQQVSOVHXEXJD-SNVBAGLBSA-N -1 1 333.339 2.330 20 0 EEADMM FC(F)(F)[C@H]1CSCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001592616452 1349674123 /nfs/dbraw/zinc/67/41/23/1349674123.db2.gz XXQQVSOVHXEXJD-SNVBAGLBSA-N -1 1 333.339 2.330 20 0 EEADMM Fc1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)cc1F ZINC001592648599 1349693729 /nfs/dbraw/zinc/69/37/29/1349693729.db2.gz SISQDXXNSYSXJS-HNNXBMFYSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)cc1F ZINC001592648599 1349693733 /nfs/dbraw/zinc/69/37/33/1349693733.db2.gz SISQDXXNSYSXJS-HNNXBMFYSA-N -1 1 344.325 2.118 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592950111 1349729194 /nfs/dbraw/zinc/72/91/94/1349729194.db2.gz SSLJRCJFKSCGCX-WCQYABFASA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592995906 1349732921 /nfs/dbraw/zinc/73/29/21/1349732921.db2.gz FMHOIGIPNSWYEI-ZDUSSCGKSA-N -1 1 337.358 2.293 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592995906 1349732923 /nfs/dbraw/zinc/73/29/23/1349732923.db2.gz FMHOIGIPNSWYEI-ZDUSSCGKSA-N -1 1 337.358 2.293 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC2(C1)CCCCC2 ZINC001593243321 1349748616 /nfs/dbraw/zinc/74/86/16/1349748616.db2.gz CNQGINNGYMOAOT-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC2(C1)CCCCC2 ZINC001593243321 1349748618 /nfs/dbraw/zinc/74/86/18/1349748618.db2.gz CNQGINNGYMOAOT-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(OC2CCCC2)c1 ZINC001593259954 1349754289 /nfs/dbraw/zinc/75/42/89/1349754289.db2.gz FHYCOKPHDAKTKI-UHFFFAOYSA-N -1 1 339.359 2.164 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC1(C2CC2)CC1 ZINC001593263798 1349755043 /nfs/dbraw/zinc/75/50/43/1349755043.db2.gz FMLJCFCCNNJSFX-UHFFFAOYSA-N -1 1 325.785 2.041 20 0 EEADMM O=C(OCCN1CCc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC001593289817 1349765198 /nfs/dbraw/zinc/76/51/98/1349765198.db2.gz AQOGFSDDPDJXID-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnc([C@@H]2CCCO2)s1 ZINC001593297614 1349772063 /nfs/dbraw/zinc/77/20/63/1349772063.db2.gz NFABUYXNYIZDHJ-JTQLQIEISA-N -1 1 347.356 2.125 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnc([C@@H]2CCCO2)s1 ZINC001593297614 1349772070 /nfs/dbraw/zinc/77/20/70/1349772070.db2.gz NFABUYXNYIZDHJ-JTQLQIEISA-N -1 1 347.356 2.125 20 0 EEADMM O=C(OCc1ncc(Cl)s1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593306281 1349775239 /nfs/dbraw/zinc/77/52/39/1349775239.db2.gz MDIPHULUONROQU-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(OCc1ncc(Cl)s1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593306281 1349775243 /nfs/dbraw/zinc/77/52/43/1349775243.db2.gz MDIPHULUONROQU-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC(Cc2ccco2)C1 ZINC001593329504 1349782325 /nfs/dbraw/zinc/78/23/25/1349782325.db2.gz NDLPJQJYYBDEDP-UHFFFAOYSA-N -1 1 345.309 2.053 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC(Cc2ccco2)C1 ZINC001593329504 1349782326 /nfs/dbraw/zinc/78/23/26/1349782326.db2.gz NDLPJQJYYBDEDP-UHFFFAOYSA-N -1 1 345.309 2.053 20 0 EEADMM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC001593411042 1349797809 /nfs/dbraw/zinc/79/78/09/1349797809.db2.gz IOSXMDNFPBDOHY-UHFFFAOYSA-N -1 1 342.340 2.243 20 0 EEADMM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC001593411042 1349797810 /nfs/dbraw/zinc/79/78/10/1349797810.db2.gz IOSXMDNFPBDOHY-UHFFFAOYSA-N -1 1 342.340 2.243 20 0 EEADMM O=Cc1cc(Oc2cc(-c3nnn[n-]3)ncn2)cc(C(F)(F)F)c1 ZINC001593415488 1349799320 /nfs/dbraw/zinc/79/93/20/1349799320.db2.gz KAPWEHKIOHVONF-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=Cc1cc(Oc2cc(-c3nn[n-]n3)ncn2)cc(C(F)(F)F)c1 ZINC001593415488 1349799323 /nfs/dbraw/zinc/79/93/23/1349799323.db2.gz KAPWEHKIOHVONF-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=c1c(C2CC2)cc(Cl)nn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593494152 1349818843 /nfs/dbraw/zinc/81/88/43/1349818843.db2.gz GRIQYRRYTTWILW-UHFFFAOYSA-N -1 1 334.792 2.064 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(c3)CCC4)no2)cc(-c2nnn[n-]2)n1 ZINC001593544383 1349839575 /nfs/dbraw/zinc/83/95/75/1349839575.db2.gz DSNGVUTUWVKSRY-UHFFFAOYSA-N -1 1 331.339 2.467 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(c3)CCC4)no2)cc(-c2nn[n-]n2)n1 ZINC001593544383 1349839582 /nfs/dbraw/zinc/83/95/82/1349839582.db2.gz DSNGVUTUWVKSRY-UHFFFAOYSA-N -1 1 331.339 2.467 20 0 EEADMM c1cc(CSCc2nc(CC3CC3)no2)cc(-c2nnn[n-]2)n1 ZINC001593557317 1349847782 /nfs/dbraw/zinc/84/77/82/1349847782.db2.gz OVJYZQGXASDILB-UHFFFAOYSA-N -1 1 329.389 2.031 20 0 EEADMM c1cc(CSCc2nc(CC3CC3)no2)cc(-c2nn[n-]n2)n1 ZINC001593557317 1349847788 /nfs/dbraw/zinc/84/77/88/1349847788.db2.gz OVJYZQGXASDILB-UHFFFAOYSA-N -1 1 329.389 2.031 20 0 EEADMM c1ccc([C@H]2N(c3cncc(-c4nnn[n-]4)n3)CC23CCOCC3)cc1 ZINC001593573355 1349858724 /nfs/dbraw/zinc/85/87/24/1349858724.db2.gz PSNOOWKMRUPJRB-MRXNPFEDSA-N -1 1 349.398 2.015 20 0 EEADMM c1ccc([C@H]2N(c3cncc(-c4nn[n-]n4)n3)CC23CCOCC3)cc1 ZINC001593573355 1349858727 /nfs/dbraw/zinc/85/87/27/1349858727.db2.gz PSNOOWKMRUPJRB-MRXNPFEDSA-N -1 1 349.398 2.015 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@@H](c2cccnc2)C1 ZINC001593587556 1349866518 /nfs/dbraw/zinc/86/65/18/1349866518.db2.gz KTILEVFTJOOLQS-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@@H](c2cccnc2)C1 ZINC001593587556 1349866521 /nfs/dbraw/zinc/86/65/21/1349866521.db2.gz KTILEVFTJOOLQS-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM c1csc(-c2cc(Cn3ccn4ncc(-c5nn[n-]n5)c34)no2)c1 ZINC001593589480 1349868385 /nfs/dbraw/zinc/86/83/85/1349868385.db2.gz YLTIDIVKOCCVSN-UHFFFAOYSA-N -1 1 338.356 2.081 20 0 EEADMM c1sc(CNc2cc(C3CC3)nc(C3CC3)n2)nc1-c1nnn[n-]1 ZINC001593595326 1349870093 /nfs/dbraw/zinc/87/00/93/1349870093.db2.gz LPISXIZQSBIISP-UHFFFAOYSA-N -1 1 340.416 2.480 20 0 EEADMM c1sc(CNc2cc(C3CC3)nc(C3CC3)n2)nc1-c1nn[n-]n1 ZINC001593595326 1349870096 /nfs/dbraw/zinc/87/00/96/1349870096.db2.gz LPISXIZQSBIISP-UHFFFAOYSA-N -1 1 340.416 2.480 20 0 EEADMM Cc1cc(CN2CCCC3(C2)OCCO3)cc(C)c1OCC(=O)[O-] ZINC001600194539 1349989703 /nfs/dbraw/zinc/98/97/03/1349989703.db2.gz GMWNEEAROUHNBV-UHFFFAOYSA-N -1 1 335.400 2.106 20 0 EEADMM Cc1cc(CN[C@H]2CCO[C@H]2C(=O)[O-])c(Br)cc1F ZINC001600211525 1349994124 /nfs/dbraw/zinc/99/41/24/1349994124.db2.gz ARTLBFMTZPQRRI-NWDGAFQWSA-N -1 1 332.169 2.228 20 0 EEADMM Cc1ccc(-c2cc(CN3CCC([C@@H](O)C(=O)[O-])CC3)on2)cc1 ZINC001600312529 1350017757 /nfs/dbraw/zinc/01/77/57/1350017757.db2.gz DOVKIXTZQNBSOE-QGZVFWFLSA-N -1 1 330.384 2.308 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001600345483 1350025103 /nfs/dbraw/zinc/02/51/03/1350025103.db2.gz FQDRNUXRNCXLOP-UHFFFAOYSA-N -1 1 338.323 2.436 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001600353016 1350026977 /nfs/dbraw/zinc/02/69/77/1350026977.db2.gz QXBOMKWOFSMBOF-ZNOIYHFQSA-N -1 1 346.427 2.379 20 0 EEADMM Cc1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(Cl)c1 ZINC001600399229 1350040922 /nfs/dbraw/zinc/04/09/22/1350040922.db2.gz MAFSAQPEORONPM-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1ccc(CN2CC[C@H](NC(=O)c3csc(C(=O)[O-])n3)C2)cc1 ZINC001600413498 1350045362 /nfs/dbraw/zinc/04/53/62/1350045362.db2.gz YQDNCEHKRGKZQO-ZDUSSCGKSA-N -1 1 345.424 2.154 20 0 EEADMM Cc1cccc(C)c1OCC[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600523237 1350072278 /nfs/dbraw/zinc/07/22/78/1350072278.db2.gz OSLKAKJJSOAEIR-XAUUPUKJSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1ccccc1C(C)(C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600567913 1350084634 /nfs/dbraw/zinc/08/46/34/1350084634.db2.gz OLFHICMKUTYVIO-OAHLLOKOSA-N -1 1 332.444 2.280 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600769044 1350131967 /nfs/dbraw/zinc/13/19/67/1350131967.db2.gz KPGUHQNBBITWON-QMMMGPOBSA-N -1 1 341.371 2.354 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001600868907 1350156623 /nfs/dbraw/zinc/15/66/23/1350156623.db2.gz QLUHZAULPFOTLH-HUUCEWRRSA-N -1 1 333.409 2.379 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H](O)COCC(C)C)nc1C(=O)[O-] ZINC001600881487 1350159127 /nfs/dbraw/zinc/15/91/27/1350159127.db2.gz FCCDIUGFUDNODX-QWHCGFSZSA-N -1 1 342.461 2.320 20 0 EEADMM Nc1ccc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cn1 ZINC001601215888 1350233752 /nfs/dbraw/zinc/23/37/52/1350233752.db2.gz JVRRESZLYQMNRU-UHFFFAOYSA-N -1 1 332.429 2.273 20 0 EEADMM Nc1nc2c(c(N3CCc4c(F)ccc(C(=O)[O-])c4C3)n1)CCCC2 ZINC001601219771 1350234584 /nfs/dbraw/zinc/23/45/84/1350234584.db2.gz JVOUPQCDJXEOJO-UHFFFAOYSA-N -1 1 342.374 2.338 20 0 EEADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCC(=O)Nc1cccc2ccccc21 ZINC001601326781 1350257968 /nfs/dbraw/zinc/25/79/68/1350257968.db2.gz YUDXWFFTMFKAFO-WMLDXEAASA-N -1 1 342.395 2.390 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1cccnc1 ZINC001601403148 1350275558 /nfs/dbraw/zinc/27/55/58/1350275558.db2.gz IHKXLHDTQHRZJE-INIZCTEOSA-N -1 1 343.383 2.216 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)CC1CCCC1 ZINC001601459967 1350288958 /nfs/dbraw/zinc/28/89/58/1350288958.db2.gz XLBYTJDMIXNVBG-HNNXBMFYSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001601568182 1350308919 /nfs/dbraw/zinc/30/89/19/1350308919.db2.gz JVHYIGKUIWBRET-MRXNPFEDSA-N -1 1 325.368 2.403 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CN2CCN(c3ccc4ccccc4n3)CC2)C1(F)F ZINC001601750224 1350355657 /nfs/dbraw/zinc/35/56/57/1350355657.db2.gz RBQBVQFJHWTHRR-CZUORRHYSA-N -1 1 347.365 2.323 20 0 EEADMM O=C([O-])CC1(NCc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC001601937189 1350401013 /nfs/dbraw/zinc/40/10/13/1350401013.db2.gz JXHJLUPFKJCJQP-UHFFFAOYSA-N -1 1 345.424 2.421 20 0 EEADMM O=C([O-])CC[C@@H]1CCCN(C(=O)CSc2n[nH]c(=S)s2)C1 ZINC001601975690 1350408745 /nfs/dbraw/zinc/40/87/45/1350408745.db2.gz ROAJEFQNKXXVJI-QMMMGPOBSA-N -1 1 347.487 2.022 20 0 EEADMM O=C([O-])CCN1CC[C@H](N2CCC(c3ccc(F)cc3)CC2)C1=O ZINC001602010327 1350418261 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CC(C)(CCNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603139364 1350648194 /nfs/dbraw/zinc/64/81/94/1350648194.db2.gz PKLICXOTTZHYKN-UHFFFAOYSA-N -1 1 336.399 2.359 20 0 EEADMM CC(C)CCc1nc(Cn2ccc(-c3nn[n-]n3)cc2=O)cs1 ZINC001603284540 1350680024 /nfs/dbraw/zinc/68/00/24/1350680024.db2.gz BPQXBEWLOYAQJR-UHFFFAOYSA-N -1 1 330.417 2.122 20 0 EEADMM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603451855 1350707674 /nfs/dbraw/zinc/70/76/74/1350707674.db2.gz UPYKFIKWZONVFS-MRVPVSSYSA-N -1 1 329.451 2.031 20 0 EEADMM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603451855 1350707679 /nfs/dbraw/zinc/70/76/79/1350707679.db2.gz UPYKFIKWZONVFS-MRVPVSSYSA-N -1 1 329.451 2.031 20 0 EEADMM CC(C)(C)OC(=O)c1cc(C(=O)N(CC(=O)[O-])c2ccccc2)[n-]n1 ZINC001603501686 1350713628 /nfs/dbraw/zinc/71/36/28/1350713628.db2.gz RCXNNCGNZUJBBB-UHFFFAOYSA-N -1 1 345.355 2.096 20 0 EEADMM C[C@H](CSc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001603570759 1350722004 /nfs/dbraw/zinc/72/20/04/1350722004.db2.gz 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CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC001603753485 1350758497 /nfs/dbraw/zinc/75/84/97/1350758497.db2.gz MVQUGAWQTMWBJQ-ARFHVFGLSA-N -1 1 339.480 2.392 20 0 EEADMM CC1(C)CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCS1 ZINC001603778800 1350765427 /nfs/dbraw/zinc/76/54/27/1350765427.db2.gz SYCMOOKKLLGSKH-UHFFFAOYSA-N -1 1 331.449 2.256 20 0 EEADMM CC1(C)CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCS1 ZINC001603778800 1350765431 /nfs/dbraw/zinc/76/54/31/1350765431.db2.gz SYCMOOKKLLGSKH-UHFFFAOYSA-N -1 1 331.449 2.256 20 0 EEADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603872511 1350789436 /nfs/dbraw/zinc/78/94/36/1350789436.db2.gz QWPSCYVBZQLRFB-FGWVZKOKSA-N -1 1 332.433 2.401 20 0 EEADMM C[C@@H]1CC[C@](C[NH2+]Cc2csc(-c3nn[n-]n3)c2)(CC(=O)[O-])C1 ZINC001603878565 1350790601 /nfs/dbraw/zinc/79/06/01/1350790601.db2.gz UPAKLGFJUZNFNW-MEBBXXQBSA-N -1 1 335.433 2.299 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001603941748 1350809401 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CCc1nc(N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001604558317 1350960619 /nfs/dbraw/zinc/96/06/19/1350960619.db2.gz ATFJQFZQEZCRFI-VCTAVGKDSA-N -1 1 345.451 2.471 20 0 EEADMM CCc1nc(NC[C@@H]2CCO[C@@H](C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001604564896 1350961506 /nfs/dbraw/zinc/96/15/06/1350961506.db2.gz WKKXRBQWZPULOT-DGCLKSJQSA-N -1 1 331.424 2.082 20 0 EEADMM CCc1nc(NC[C@@H]2CCO[C@@H](C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001604564896 1350961509 /nfs/dbraw/zinc/96/15/09/1350961509.db2.gz WKKXRBQWZPULOT-DGCLKSJQSA-N -1 1 331.424 2.082 20 0 EEADMM CN(C(=O)c1cccc2cnccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001604659734 1350979420 /nfs/dbraw/zinc/97/94/20/1350979420.db2.gz BWWPDIYHWJINLH-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc3c2CCCC3)CCN1CCC(=O)[O-] ZINC001604782682 1351002210 /nfs/dbraw/zinc/00/22/10/1351002210.db2.gz FCOQGWKRDLRXCT-CQSZACIVSA-N -1 1 330.428 2.186 20 0 EEADMM CN1CCOc2ccc(NC(=O)c3ccsc3-c3nnn[n-]3)cc21 ZINC001604867549 1351022349 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COc1cc(C)cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC001605203320 1351101929 /nfs/dbraw/zinc/10/19/29/1351101929.db2.gz HADMRXFPMYQRNJ-UHFFFAOYSA-N -1 1 343.412 2.484 20 0 EEADMM CCN(CC)C(=O)CNCc1ccc(C(=O)[O-])c(Br)c1 ZINC001605424336 1351156154 /nfs/dbraw/zinc/15/61/54/1351156154.db2.gz GRHIIRZFHDTAIW-UHFFFAOYSA-N -1 1 343.221 2.105 20 0 EEADMM Cc1c(-c2nnn[n-]2)nn(-c2ccccc2)c1NC(=O)CC1(C)CC1 ZINC001605468181 1351164168 /nfs/dbraw/zinc/16/41/68/1351164168.db2.gz LTCLTXDKTCPADR-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM Cc1c(-c2nn[n-]n2)nn(-c2ccccc2)c1NC(=O)CC1(C)CC1 ZINC001605468181 1351164170 /nfs/dbraw/zinc/16/41/70/1351164170.db2.gz LTCLTXDKTCPADR-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM CCOc1cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)ccc1O ZINC001605671634 1351214780 /nfs/dbraw/zinc/21/47/80/1351214780.db2.gz ZFZRQVSQDVKYHZ-LBPRGKRZSA-N -1 1 331.372 2.310 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2F)nc1-c1nnn[n-]1 ZINC001605874876 1351243432 /nfs/dbraw/zinc/24/34/32/1351243432.db2.gz SRKOIFPWGKMUOV-MRXNPFEDSA-N -1 1 346.341 2.168 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2F)nc1-c1nn[n-]n1 ZINC001605874876 1351243435 /nfs/dbraw/zinc/24/34/35/1351243435.db2.gz SRKOIFPWGKMUOV-MRXNPFEDSA-N -1 1 346.341 2.168 20 0 EEADMM CCc1noc(C[C@@]2(O)CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)n1 ZINC001605876289 1351244103 /nfs/dbraw/zinc/24/41/03/1351244103.db2.gz GSRRWJFZIMIZFT-DIFFPNOSSA-N -1 1 349.387 2.054 20 0 EEADMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605878196 1351244784 /nfs/dbraw/zinc/24/47/84/1351244784.db2.gz GDGGMZXIBCNBHR-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(OC[C@@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605878196 1351244785 /nfs/dbraw/zinc/24/47/85/1351244785.db2.gz GDGGMZXIBCNBHR-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC001605930591 1351255823 /nfs/dbraw/zinc/25/58/23/1351255823.db2.gz NKVMQEYEGVXYBF-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1cccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC001605930591 1351255826 /nfs/dbraw/zinc/25/58/26/1351255826.db2.gz NKVMQEYEGVXYBF-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c1ccsc1 ZINC001606012086 1351263017 /nfs/dbraw/zinc/26/30/17/1351263017.db2.gz KKOSBZVLVOJSCX-LBPRGKRZSA-N -1 1 327.450 2.151 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC001606021692 1351264538 /nfs/dbraw/zinc/26/45/38/1351264538.db2.gz YJXIBMSZPHKDJD-VIFPVBQESA-N -1 1 327.314 2.134 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC001606021692 1351264540 /nfs/dbraw/zinc/26/45/40/1351264540.db2.gz YJXIBMSZPHKDJD-VIFPVBQESA-N -1 1 327.314 2.134 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606039945 1351265222 /nfs/dbraw/zinc/26/52/22/1351265222.db2.gz KFQQUWUGDRUOLE-UHFFFAOYSA-N -1 1 336.355 2.405 20 0 EEADMM Cc1nc(C)c(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001606038635 1351265805 /nfs/dbraw/zinc/26/58/05/1351265805.db2.gz JPUBKXGVGKDNNO-UHFFFAOYSA-N -1 1 335.418 2.323 20 0 EEADMM Cc1nc2ccccc2nc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606083188 1351267927 /nfs/dbraw/zinc/26/79/27/1351267927.db2.gz RHNKAPACVOUKTA-UHFFFAOYSA-N -1 1 336.311 2.068 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2cccn3ccnc23)no1 ZINC001606164856 1351279770 /nfs/dbraw/zinc/27/97/70/1351279770.db2.gz GWOMUEQJSBIQTI-UHFFFAOYSA-N -1 1 334.299 2.133 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2cccn3ccnc23)no1 ZINC001606164856 1351279772 /nfs/dbraw/zinc/27/97/72/1351279772.db2.gz GWOMUEQJSBIQTI-UHFFFAOYSA-N -1 1 334.299 2.133 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001606292507 1351289389 /nfs/dbraw/zinc/28/93/89/1351289389.db2.gz XGGIEZYFDXYNEY-SECBINFHSA-N -1 1 326.282 2.385 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001606292507 1351289392 /nfs/dbraw/zinc/28/93/92/1351289392.db2.gz XGGIEZYFDXYNEY-SECBINFHSA-N -1 1 326.282 2.385 20 0 EEADMM O=C(C=Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606485547 1351309655 /nfs/dbraw/zinc/30/96/55/1351309655.db2.gz KQQSWQTXVLUHGZ-ARJAWSKDSA-N -1 1 333.764 2.024 20 0 EEADMM COC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1C ZINC001606588893 1351328018 /nfs/dbraw/zinc/32/80/18/1351328018.db2.gz JGMMCMPPAQCLCZ-MRXNPFEDSA-N -1 1 329.352 2.403 20 0 EEADMM COC(=O)c1cccc([C@@H](C(=O)[O-])N2C[C@@H](C)OC3(CCC3)C2)c1 ZINC001606612718 1351331711 /nfs/dbraw/zinc/33/17/11/1351331711.db2.gz KKEYEDKIBXTUKC-DOMZBBRYSA-N -1 1 333.384 2.242 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606638956 1351335347 /nfs/dbraw/zinc/33/53/47/1351335347.db2.gz URMHKUPLRKRFBI-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606638956 1351335350 /nfs/dbraw/zinc/33/53/50/1351335350.db2.gz URMHKUPLRKRFBI-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1ccsc1-c1nnn[n-]1 ZINC001606647525 1351336639 /nfs/dbraw/zinc/33/66/39/1351336639.db2.gz NXZXEASZWAWNFC-YNEHKIRRSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1ccsc1-c1nn[n-]n1 ZINC001606647525 1351336642 /nfs/dbraw/zinc/33/66/42/1351336642.db2.gz NXZXEASZWAWNFC-YNEHKIRRSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ncsc1C1CC1 ZINC001606831986 1351363182 /nfs/dbraw/zinc/36/31/82/1351363182.db2.gz MHNCRECBGTZXOQ-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCO[C@@H](c2cccs2)C1 ZINC001607026452 1351400208 /nfs/dbraw/zinc/40/02/08/1351400208.db2.gz BDIOMGHQWAWFRC-SNVBAGLBSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCO[C@@H](c2cccs2)C1 ZINC001607026452 1351400211 /nfs/dbraw/zinc/40/02/11/1351400211.db2.gz BDIOMGHQWAWFRC-SNVBAGLBSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001607031541 1351400788 /nfs/dbraw/zinc/40/07/88/1351400788.db2.gz GLUDKJDHHQPMSS-CYBMUJFWSA-N -1 1 347.444 2.492 20 0 EEADMM O[C@@H]1CCC[C@H](CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001607102425 1351418707 /nfs/dbraw/zinc/41/87/07/1351418707.db2.gz XDPFBPDVMVFRMG-WCBMZHEXSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@@H]1CCC[C@H](CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001607102425 1351418708 /nfs/dbraw/zinc/41/87/08/1351418708.db2.gz XDPFBPDVMVFRMG-WCBMZHEXSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001607103978 1351419452 /nfs/dbraw/zinc/41/94/52/1351419452.db2.gz FHKGDQWQGZPJOR-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001607103978 1351419454 /nfs/dbraw/zinc/41/94/54/1351419454.db2.gz FHKGDQWQGZPJOR-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM [O-]c1ccc(CN2Cc3cccc(-c4nn[nH]n4)c3C2)c(F)c1F ZINC001607110661 1351422648 /nfs/dbraw/zinc/42/26/48/1351422648.db2.gz ICWKCZFXADCSLK-UHFFFAOYSA-N -1 1 329.310 2.366 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607129891 1351432321 /nfs/dbraw/zinc/43/23/21/1351432321.db2.gz WMMZMZBLBKSFLB-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607129891 1351432323 /nfs/dbraw/zinc/43/23/23/1351432323.db2.gz WMMZMZBLBKSFLB-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM COc1nsc(CNCc2ccc(N(C)C(C)=O)cc2)c1C(=O)[O-] ZINC001607364558 1351483250 /nfs/dbraw/zinc/48/32/50/1351483250.db2.gz YTHYINHKARZLJZ-UHFFFAOYSA-N -1 1 349.412 2.122 20 0 EEADMM C[C@H]1CN(C(=O)NC[C@@H]2CCN2Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001607469957 1351498781 /nfs/dbraw/zinc/49/87/81/1351498781.db2.gz IHUXEPJPIKBICH-QOKNQOGYSA-N -1 1 345.443 2.013 20 0 EEADMM Cc1[nH]c2ccccc2c1SCCNCc1cn(CC(=O)[O-])nn1 ZINC001607498499 1351505628 /nfs/dbraw/zinc/50/56/28/1351505628.db2.gz JYVVENHLVOGNRS-UHFFFAOYSA-N -1 1 345.428 2.034 20 0 EEADMM Cc1[nH]c(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1C(=O)[O-] ZINC001607498034 1351505702 /nfs/dbraw/zinc/50/57/02/1351505702.db2.gz MBIRGAWPUVZPKL-GXTWGEPZSA-N -1 1 336.413 2.446 20 0 EEADMM Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001607499819 1351506424 /nfs/dbraw/zinc/50/64/24/1351506424.db2.gz DIOQGHXWBASYDL-UHFFFAOYSA-N -1 1 325.271 2.371 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC001607599324 1351522000 /nfs/dbraw/zinc/52/20/00/1351522000.db2.gz FNGCYCBHGZIEDV-UHFFFAOYSA-N -1 1 337.401 2.446 20 0 EEADMM Cc1cc(CNC[C@H](O)COc2c(C)cccc2C)oc1C(=O)[O-] ZINC001607648285 1351532861 /nfs/dbraw/zinc/53/28/61/1351532861.db2.gz BIUKOIKUSBMLKB-AWEZNQCLSA-N -1 1 333.384 2.433 20 0 EEADMM Cc1cc(NS(=O)(=O)CCC(=O)[O-])nn1-c1ccccc1Cl ZINC001607695713 1351541507 /nfs/dbraw/zinc/54/15/07/1351541507.db2.gz MOSWJLLLGNCZTD-UHFFFAOYSA-N -1 1 343.792 2.051 20 0 EEADMM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001607873558 1351576422 /nfs/dbraw/zinc/57/64/22/1351576422.db2.gz CYYQDJKOXQOEPN-KZNAEPCWSA-N -1 1 327.380 2.245 20 0 EEADMM Cc1oc(CN(C)C(=O)c2cn[nH]c2-c2ccccn2)cc1C(=O)[O-] ZINC001608044994 1351612995 /nfs/dbraw/zinc/61/29/95/1351612995.db2.gz OZVJRGJKDKNTNB-UHFFFAOYSA-N -1 1 340.339 2.344 20 0 EEADMM Cc1sc(NC(=O)CN(C)[C@H](CO)C(C)(C)C)c(C(=O)[O-])c1C ZINC001608071448 1351618916 /nfs/dbraw/zinc/61/89/16/1351618916.db2.gz YRABOVCWWYOFKZ-LLVKDONJSA-N -1 1 342.461 2.340 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)CCCOc3cccnc3)[nH]c21 ZINC001608306311 1351667544 /nfs/dbraw/zinc/66/75/44/1351667544.db2.gz NNTLHKJAONZYCU-UHFFFAOYSA-N -1 1 340.339 2.454 20 0 EEADMM Cn1c2ccc(NC(=O)Cc3ccc([O-])c(Cl)c3)cc2n(C)c1=O ZINC001626920502 1352477900 /nfs/dbraw/zinc/47/79/00/1352477900.db2.gz YREQSCUAMCXXMF-UHFFFAOYSA-N -1 1 345.786 2.417 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3[nH]c(=O)c(C)cc3c2)c(=O)[n-]1 ZINC001628272888 1352528735 /nfs/dbraw/zinc/52/87/35/1352528735.db2.gz FUWKUWAOPZZBST-UHFFFAOYSA-N -1 1 342.380 2.306 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cc(-c2c(F)cccc2F)no1)c1nn[n-]n1 ZINC001632366730 1352596142 /nfs/dbraw/zinc/59/61/42/1352596142.db2.gz XBFRRHTXPUPUSZ-QMMMGPOBSA-N -1 1 348.313 2.009 20 0 EEADMM CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001646246097 1352823504 /nfs/dbraw/zinc/82/35/04/1352823504.db2.gz WZKNMLATRMSCMX-SNVBAGLBSA-N -1 1 327.178 2.104 20 0 EEADMM CN1C(=O)CCC[C@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001646246096 1352823634 /nfs/dbraw/zinc/82/36/34/1352823634.db2.gz WZKNMLATRMSCMX-JTQLQIEISA-N -1 1 327.178 2.104 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(C)c1 ZINC001647090648 1353135815 /nfs/dbraw/zinc/13/58/15/1353135815.db2.gz BBENQSPGEPMKAT-CYBMUJFWSA-N -1 1 327.402 2.092 20 0 EEADMM O=C([N-]C[C@@H]1CCCN(C(=O)c2ccc(Cl)[nH]2)C1)C(F)(F)F ZINC001649322626 1353479313 /nfs/dbraw/zinc/47/93/13/1353479313.db2.gz FCHNGNUWUSFJHF-QMMMGPOBSA-N -1 1 337.729 2.199 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001651044732 1354038224 /nfs/dbraw/zinc/03/82/24/1354038224.db2.gz WNFAPGVXAUCJSL-UHFFFAOYSA-N -1 1 330.325 2.220 20 0 EEADMM C[C@H](CNC(=O)c1ccc(CF)cc1)CNC(=O)c1ncccc1[O-] ZINC001388433425 1387459372 /nfs/dbraw/zinc/45/93/72/1387459372.db2.gz NHTDLZCEGVWVFP-GFCCVEGCSA-N -1 1 345.374 2.053 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001388475421 1387490664 /nfs/dbraw/zinc/49/06/64/1387490664.db2.gz JDCGMWVETMCXRL-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H](NC(=O)C1(C)CCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001388711137 1387664964 /nfs/dbraw/zinc/66/49/64/1387664964.db2.gz VKPKKRQOOPYXTK-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(OC(F)(F)F)cn2)n1 ZINC001192840261 1368429345 /nfs/dbraw/zinc/42/93/45/1368429345.db2.gz ZNEWTNJPTFWCAB-UHFFFAOYSA-N -1 1 344.249 2.132 20 0 EEADMM COC(=O)CN(Cc1ccccc1)C(=O)c1cc([O-])cnc1Cl ZINC001195306017 1368515781 /nfs/dbraw/zinc/51/57/81/1368515781.db2.gz SQSOGRJUXCSATI-UHFFFAOYSA-N -1 1 334.759 2.256 20 0 EEADMM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201283318 1368797352 /nfs/dbraw/zinc/79/73/52/1368797352.db2.gz VXBARYHNKVBXBG-LURJTMIESA-N -1 1 344.191 2.362 20 0 EEADMM CCOC(CC[N-]S(=O)(=O)c1sc(Cl)nc1C)OCC ZINC001201767279 1368840659 /nfs/dbraw/zinc/84/06/59/1368840659.db2.gz 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ZINC001140498150 1372588848 /nfs/dbraw/zinc/58/88/48/1372588848.db2.gz GRZBIPFEROJGHB-UHFFFAOYSA-N -1 1 335.448 2.409 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838446513 1372847894 /nfs/dbraw/zinc/84/78/94/1372847894.db2.gz CRXYXRJCBPATEQ-CUOATXAZSA-N -1 1 328.320 2.157 20 0 EEADMM CC[C@H](C)CC[C@H](O)CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847077165 1372982707 /nfs/dbraw/zinc/98/27/07/1372982707.db2.gz GTBFUENIOUHGGR-XQQFMLRXSA-N -1 1 325.409 2.059 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCC1=O ZINC000848340815 1373136975 /nfs/dbraw/zinc/13/69/75/1373136975.db2.gz GBCNHHYMFTXUNH-WISYIIOYSA-N -1 1 348.365 2.050 20 0 EEADMM CCCCN(CC)c1nnc(Cc2nnn[n-]2)n1Cc1ccccc1 ZINC001357810213 1373219897 /nfs/dbraw/zinc/21/98/97/1373219897.db2.gz DYRJXVLTTNMQFV-UHFFFAOYSA-N -1 1 340.435 2.057 20 0 EEADMM CCCCN(CC)c1nnc(Cc2nn[n-]n2)n1Cc1ccccc1 ZINC001357810213 1373219905 /nfs/dbraw/zinc/21/99/05/1373219905.db2.gz DYRJXVLTTNMQFV-UHFFFAOYSA-N -1 1 340.435 2.057 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001362296881 1373390095 /nfs/dbraw/zinc/39/00/95/1373390095.db2.gz BVESJRGZOOXFLF-ZCFIWIBFSA-N -1 1 341.726 2.180 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](CO)Cc1ccc(F)cc1 ZINC001362412926 1373403502 /nfs/dbraw/zinc/40/35/02/1373403502.db2.gz ZTNUQYZPHAFMCI-AWEZNQCLSA-N -1 1 337.778 2.447 20 0 EEADMM COC(=O)Nc1cccc(CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001362431527 1373407288 /nfs/dbraw/zinc/40/72/88/1373407288.db2.gz XXALAGJFTAKJOF-UHFFFAOYSA-N -1 1 348.384 2.012 20 0 EEADMM C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1c([O-])cccc1F ZINC001362517370 1373426683 /nfs/dbraw/zinc/42/66/83/1373426683.db2.gz JZPIABTXSIHHIM-ZJUUUORDSA-N -1 1 347.346 2.025 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001362517617 1373426940 /nfs/dbraw/zinc/42/69/40/1373426940.db2.gz WJIOBPISFSHQQJ-CYBMUJFWSA-N -1 1 336.294 2.393 20 0 EEADMM CSc1ncc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)c(=O)[n-]1 ZINC001363046102 1373478133 /nfs/dbraw/zinc/47/81/33/1373478133.db2.gz IINSZAZFZRNPMP-NSHDSACASA-N -1 1 335.389 2.052 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC001364850267 1373620227 /nfs/dbraw/zinc/62/02/27/1373620227.db2.gz JRELZTFBXYFBFF-ZIAGYGMSSA-N -1 1 335.429 2.427 20 0 EEADMM O=C(Nc1c2c(ccc1Cl)OCC2)N1CCC(c2nn[n-]n2)CC1 ZINC001365053112 1373659132 /nfs/dbraw/zinc/65/91/32/1373659132.db2.gz RHJMIWJBYAPNIQ-UHFFFAOYSA-N -1 1 348.794 2.200 20 0 EEADMM C=Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001369820214 1374665480 /nfs/dbraw/zinc/66/54/80/1374665480.db2.gz DQOGIEYMEGBABZ-CYBMUJFWSA-N -1 1 339.395 2.321 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)o1 ZINC001371085495 1375209207 /nfs/dbraw/zinc/20/92/07/1375209207.db2.gz MVRHNSXSYGQHEJ-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CCCCC(=O)NC[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001372774174 1376199642 /nfs/dbraw/zinc/19/96/42/1376199642.db2.gz XIDAKJRDHLGEMY-LLVKDONJSA-N -1 1 336.436 2.039 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C1CCC1)C1CCC1 ZINC001372830361 1376233529 /nfs/dbraw/zinc/23/35/29/1376233529.db2.gz FRNMPDNBQIHZFE-GFCCVEGCSA-N -1 1 345.443 2.238 20 0 EEADMM CCC[C@H](C)CC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001379667404 1380810098 /nfs/dbraw/zinc/81/00/98/1380810098.db2.gz LIZPBIHPUOQUSV-UGSOOPFHSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccc(F)cc1F ZINC001381507010 1381631353 /nfs/dbraw/zinc/63/13/53/1381631353.db2.gz VKSTYACZHADKTP-NSHDSACASA-N -1 1 335.354 2.316 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1CCC2(CC2)CC1 ZINC001383698514 1382646764 /nfs/dbraw/zinc/64/67/64/1382646764.db2.gz FKQKVUORSKQZLS-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CCC1 ZINC001384400168 1382927424 /nfs/dbraw/zinc/92/74/24/1382927424.db2.gz CFLSUTLRQLTYIY-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001384757557 1385262284 /nfs/dbraw/zinc/26/22/84/1385262284.db2.gz NFIHNJYJOKBEIZ-KGLIPLIRSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H](CNC(=O)c1csc(Cl)c1)NC(=O)c1ncccc1[O-] ZINC001386259849 1386034955 /nfs/dbraw/zinc/03/49/55/1386034955.db2.gz CTJSPLPSQONZBV-QMMMGPOBSA-N -1 1 339.804 2.050 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001387696109 1386946800 /nfs/dbraw/zinc/94/68/00/1386946800.db2.gz NXYLCGUYQDFAKN-FOLVSLTJSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@@H](CNC(=O)CCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001387996852 1387129896 /nfs/dbraw/zinc/12/98/96/1387129896.db2.gz VNTPTDDTSWWPAS-AWEZNQCLSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(NCC1(NCc2ncc(C3CC3)o2)CCC1)c1ncccc1[O-] ZINC001393543575 1390465312 /nfs/dbraw/zinc/46/53/12/1390465312.db2.gz GURODZXKBCKBHG-UHFFFAOYSA-N -1 1 342.399 2.095 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001394531028 1390722739 /nfs/dbraw/zinc/72/27/39/1390722739.db2.gz HVLUHCSTIVTIOA-BFUOFWGJSA-N -1 1 345.443 2.192 20 0 EEADMM CC1(CC(=O)NC2CC3(C2)CC(NC(=O)c2ncccc2[O-])C3)CC1 ZINC001396736166 1390963251 /nfs/dbraw/zinc/96/32/51/1390963251.db2.gz OJAPWDHVTUSVLQ-UHFFFAOYSA-N -1 1 343.427 2.135 20 0 EEADMM CC[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396918803 1390989812 /nfs/dbraw/zinc/98/98/12/1390989812.db2.gz UYYXEFTXLDBWKP-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753035138 1406618294 /nfs/dbraw/zinc/61/82/94/1406618294.db2.gz XCVQHPOATKJPQP-ZIAGYGMSSA-N -1 1 349.479 2.197 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](CC)C(C)C ZINC001398950994 1394361164 /nfs/dbraw/zinc/36/11/64/1394361164.db2.gz YINZLYCYUBFFHU-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1cocc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399131831 1394733834 /nfs/dbraw/zinc/73/38/34/1394733834.db2.gz IEIQBTJBAUXOMT-UHFFFAOYSA-N -1 1 343.383 2.161 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(Cl)s1 ZINC001400303705 1396159289 /nfs/dbraw/zinc/15/92/89/1396159289.db2.gz WUFSHDGIQQTGNO-QMMMGPOBSA-N -1 1 339.804 2.050 20 0 EEADMM CC(C)c1cnc(CN(C)CCN(C)C(=O)c2ncccc2[O-])o1 ZINC001401361729 1397191053 /nfs/dbraw/zinc/19/10/53/1397191053.db2.gz FYFNUNHFQAAHPW-UHFFFAOYSA-N -1 1 332.404 2.103 20 0 EEADMM CCc1nc(CN(C)C[C@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001401742795 1397542584 /nfs/dbraw/zinc/54/25/84/1397542584.db2.gz GPUMNMGBNURCMC-NSHDSACASA-N -1 1 334.445 2.056 20 0 EEADMM CC(C)(C)CCCN1CCOC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001402514067 1398032034 /nfs/dbraw/zinc/03/20/34/1398032034.db2.gz GCKKXYMEHMLOIZ-AWEZNQCLSA-N -1 1 335.448 2.044 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)cc1C ZINC001423697486 1400754606 /nfs/dbraw/zinc/75/46/06/1400754606.db2.gz QTWLFUZMDHVERR-JBLDHEPKSA-N -1 1 329.418 2.478 20 0 EEADMM Cc1cccc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])c1F ZINC001424175177 1400949939 /nfs/dbraw/zinc/94/99/39/1400949939.db2.gz GUHDFMIGKHRHNN-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ccccc1F ZINC001424280580 1401018053 /nfs/dbraw/zinc/01/80/53/1401018053.db2.gz RZKYILJYJPZLKN-MRXNPFEDSA-N -1 1 349.383 2.369 20 0 EEADMM CC(C)(C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001426982118 1402283784 /nfs/dbraw/zinc/28/37/84/1402283784.db2.gz LJWQQLJIRBXZMT-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427439376 1402417291 /nfs/dbraw/zinc/41/72/91/1402417291.db2.gz CILSSPYKHXPHMG-QWHCGFSZSA-N -1 1 333.432 2.142 20 0 EEADMM Cc1ccccc1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001427851674 1402543884 /nfs/dbraw/zinc/54/38/84/1402543884.db2.gz LGGGBOHSABNCKB-OAHLLOKOSA-N -1 1 339.395 2.034 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428356407 1402685776 /nfs/dbraw/zinc/68/57/76/1402685776.db2.gz GOBXGXBSKHIQDG-ZDUSSCGKSA-N -1 1 335.448 2.484 20 0 EEADMM CCN(C(=O)c1cccc(F)c1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428645338 1402774790 /nfs/dbraw/zinc/77/47/90/1402774790.db2.gz RTAMTQKGOSXXJK-GFCCVEGCSA-N -1 1 345.374 2.207 20 0 EEADMM CCc1nc([C@@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)no1 ZINC001433711231 1403425575 /nfs/dbraw/zinc/42/55/75/1403425575.db2.gz OZDURVRORYISAZ-LBPRGKRZSA-N -1 1 343.387 2.372 20 0 EEADMM CCCCN(CC)c1nnc(CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577511562 1403660677 /nfs/dbraw/zinc/66/06/77/1403660677.db2.gz BANITTOWEBMUMU-UHFFFAOYSA-N -1 1 344.423 2.288 20 0 EEADMM CCCCN(CC)c1nnc(CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577511562 1403660681 /nfs/dbraw/zinc/66/06/81/1403660681.db2.gz BANITTOWEBMUMU-UHFFFAOYSA-N -1 1 344.423 2.288 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC001579483560 1403783768 /nfs/dbraw/zinc/78/37/68/1403783768.db2.gz DVIVIXBEEBUWEU-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001579483560 1403783775 /nfs/dbraw/zinc/78/37/75/1403783775.db2.gz DVIVIXBEEBUWEU-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM Cc1ccc(N(C)C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1C ZINC001581206622 1403877086 /nfs/dbraw/zinc/87/70/86/1403877086.db2.gz AOBWBOSVRXDHLA-UHFFFAOYSA-N -1 1 338.371 2.169 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)n1 ZINC001591892688 1403969534 /nfs/dbraw/zinc/96/95/34/1403969534.db2.gz ZHOHDKCFAOMZOF-IACUBPJLSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)n1 ZINC001591892688 1403969538 /nfs/dbraw/zinc/96/95/38/1403969538.db2.gz ZHOHDKCFAOMZOF-IACUBPJLSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001592135317 1404003080 /nfs/dbraw/zinc/00/30/80/1404003080.db2.gz PXVBWUFFSYBJMK-SECBINFHSA-N -1 1 347.325 2.466 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001592135317 1404003086 /nfs/dbraw/zinc/00/30/86/1404003086.db2.gz PXVBWUFFSYBJMK-SECBINFHSA-N -1 1 347.325 2.466 20 0 EEADMM Cc1cccc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)c1 ZINC001592243823 1404013037 /nfs/dbraw/zinc/01/30/37/1404013037.db2.gz KADMGHNTAIVTQX-UHFFFAOYSA-N -1 1 339.384 2.216 20 0 EEADMM Cc1[nH]sc(=NC(=O)N2Cc3ccccc3CO2)c1-c1nn[n-]n1 ZINC001592480397 1404696847 /nfs/dbraw/zinc/69/68/47/1404696847.db2.gz LUDIGEZHNUZRAZ-UHFFFAOYSA-N -1 1 343.372 2.111 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC001592499724 1404704022 /nfs/dbraw/zinc/70/40/22/1404704022.db2.gz BCJJUGOGVLGGOO-SSDOTTSWSA-N -1 1 332.751 2.308 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC001592499724 1404704025 /nfs/dbraw/zinc/70/40/25/1404704025.db2.gz BCJJUGOGVLGGOO-SSDOTTSWSA-N -1 1 332.751 2.308 20 0 EEADMM O=C(CCc1ccccc1F)OCc1cccnc1-c1nnn[n-]1 ZINC001592853836 1404726076 /nfs/dbraw/zinc/72/60/76/1404726076.db2.gz RADOFROTGQCSLC-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(CCc1ccccc1F)OCc1cccnc1-c1nn[n-]n1 ZINC001592853836 1404726080 /nfs/dbraw/zinc/72/60/80/1404726080.db2.gz RADOFROTGQCSLC-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCC12CCCCC2 ZINC001592914668 1404729439 /nfs/dbraw/zinc/72/94/39/1404729439.db2.gz FMFKMDQSMMGYQD-OAHLLOKOSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCC12CCCCC2 ZINC001592914668 1404729443 /nfs/dbraw/zinc/72/94/43/1404729443.db2.gz FMFKMDQSMMGYQD-OAHLLOKOSA-N -1 1 340.431 2.423 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@H]21 ZINC001606193250 1404775633 /nfs/dbraw/zinc/77/56/33/1404775633.db2.gz UBTCMOHNDKHRBD-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@H]21 ZINC001606193250 1404775641 /nfs/dbraw/zinc/77/56/41/1404775641.db2.gz UBTCMOHNDKHRBD-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM FC(F)(F)c1csc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001606293668 1404780538 /nfs/dbraw/zinc/78/05/38/1404780538.db2.gz WVKAYXSTKKMPEJ-UHFFFAOYSA-N -1 1 328.279 2.316 20 0 EEADMM FC(F)(F)c1csc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001606293668 1404780544 /nfs/dbraw/zinc/78/05/44/1404780544.db2.gz WVKAYXSTKKMPEJ-UHFFFAOYSA-N -1 1 328.279 2.316 20 0 EEADMM CCC[C@H](NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000185062536 1406054570 /nfs/dbraw/zinc/05/45/70/1406054570.db2.gz PVIRANQLBYHCLD-HNNXBMFYSA-N -1 1 344.415 2.271 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001755932498 1408007650 /nfs/dbraw/zinc/00/76/50/1408007650.db2.gz SQCZEHMQWKMREI-WLYUNCDWSA-N -1 1 343.427 2.158 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001756021517 1408083911 /nfs/dbraw/zinc/08/39/11/1408083911.db2.gz RPQTUQHITVOJPY-UONOGXRCSA-N -1 1 331.416 2.110 20 0 EEADMM CC/C=C(/C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001757338998 1409679791 /nfs/dbraw/zinc/67/97/91/1409679791.db2.gz CQZIUIHCXRFWBN-WWRZCIAWSA-N -1 1 331.416 2.158 20 0 EEADMM CN(CCCCCCNC(=O)c1ncccc1[O-])C(=O)C(C)(C)F ZINC001757426600 1409709464 /nfs/dbraw/zinc/70/94/64/1409709464.db2.gz PLANHBOBOWTFLB-UHFFFAOYSA-N -1 1 339.411 2.284 20 0 EEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000320434188 1409857832 /nfs/dbraw/zinc/85/78/32/1409857832.db2.gz BDTYTOKELMIYCR-UHFFFAOYSA-N -1 1 333.344 2.457 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)c1ccsc1 ZINC000780386036 761563209 /nfs/dbraw/zinc/56/32/09/761563209.db2.gz TVZKRVARHUSLQV-CYBMUJFWSA-N -1 1 339.461 2.438 20 0 EEADMM C[C@@H](CNc1ncnc2ccsc21)N(C)C(=O)c1ncccc1[O-] ZINC001104536510 761714448 /nfs/dbraw/zinc/71/44/48/761714448.db2.gz OVPNFYXTVZPHNQ-JTQLQIEISA-N -1 1 343.412 2.365 20 0 EEADMM CN(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780385814 761727658 /nfs/dbraw/zinc/72/76/58/761727658.db2.gz SMYGZYAAWUKYCH-CABCVRRESA-N -1 1 347.440 2.476 20 0 EEADMM CC(C)(C)[C@@H](CNc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001125856722 764968452 /nfs/dbraw/zinc/96/84/52/764968452.db2.gz FGABCQCMWSOBMF-GFCCVEGCSA-N -1 1 349.822 2.487 20 0 EEADMM Cc1cc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)nc(C)n1 ZINC001125857575 764981199 /nfs/dbraw/zinc/98/11/99/764981199.db2.gz MVRLBXZYEGGEKF-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417020 768918354 /nfs/dbraw/zinc/91/83/54/768918354.db2.gz UHBLATSJNUWHBE-TZMCWYRMSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417020 768918361 /nfs/dbraw/zinc/91/83/61/768918361.db2.gz UHBLATSJNUWHBE-TZMCWYRMSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1ccccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979685264 770888331 /nfs/dbraw/zinc/88/83/31/770888331.db2.gz IHNUXMOSCQDARL-HDJSIYSDSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1cc(CN2CCC[C@@H]2CNC(=O)c2[nH]nc(C)c2[O-])cs1 ZINC001027833113 770991163 /nfs/dbraw/zinc/99/11/63/770991163.db2.gz NJFRLZZQDXKTSR-CYBMUJFWSA-N -1 1 334.445 2.188 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(C2CCC2)CCC1 ZINC000938335696 773736898 /nfs/dbraw/zinc/73/68/98/773736898.db2.gz REVYDOGTKPLLFT-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC000942756912 783143018 /nfs/dbraw/zinc/14/30/18/783143018.db2.gz TVUWQFXZLVISRR-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NNC(=O)c1cccnc1Cl)c1ccc(Cl)cc1O ZINC000060406398 790346882 /nfs/dbraw/zinc/34/68/82/790346882.db2.gz QYBLOTKZKKWMSF-UHFFFAOYSA-N -1 1 326.139 2.169 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]CCCOC2CCCCC2)c1Cl ZINC000027961550 775673280 /nfs/dbraw/zinc/67/32/80/775673280.db2.gz RRCDAOPFPPXCOA-UHFFFAOYSA-N -1 1 335.857 2.091 20 0 EEADMM CCc1ccc(CN2CCCN(C(=O)c3n[nH]c(C)c3[O-])CC2)cc1 ZINC000980980279 776249195 /nfs/dbraw/zinc/24/91/95/776249195.db2.gz ZUXXLJHVBRPHPB-UHFFFAOYSA-N -1 1 342.443 2.334 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000939769691 777366641 /nfs/dbraw/zinc/36/66/41/777366641.db2.gz KDNTVOPDGKSBJW-QLFBSQMISA-N -1 1 345.443 2.142 20 0 EEADMM Cc1cc(NCC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)ncn1 ZINC001063272076 790535610 /nfs/dbraw/zinc/53/56/10/790535610.db2.gz IPTHKGGLZCRYTA-CQSZACIVSA-N -1 1 341.415 2.240 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ccccc2Cl)C1)c1ncccc1[O-] ZINC000940139203 778165747 /nfs/dbraw/zinc/16/57/47/778165747.db2.gz VZLNGLNWMWQELH-LLVKDONJSA-N -1 1 345.786 2.085 20 0 EEADMM COCCN(CC(=O)[O-])Cc1cccc(F)c1OCC(F)(F)F ZINC000901587022 780458953 /nfs/dbraw/zinc/45/89/53/780458953.db2.gz UGDYSFSSEVFSFM-UHFFFAOYSA-N -1 1 339.285 2.300 20 0 EEADMM CCOc1ncccc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079010 780549827 /nfs/dbraw/zinc/54/98/27/780549827.db2.gz MXKONUPZCNHEII-UHFFFAOYSA-N -1 1 333.417 2.042 20 0 EEADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC=CC1 ZINC000946297428 790818852 /nfs/dbraw/zinc/81/88/52/790818852.db2.gz DNTBZMYQLSTORU-ZIAGYGMSSA-N -1 1 343.427 2.158 20 0 EEADMM CO[C@H](C)CCC(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000183405385 780905437 /nfs/dbraw/zinc/90/54/37/780905437.db2.gz URCOZSDDJORBOW-MRVPVSSYSA-N -1 1 347.184 2.164 20 0 EEADMM CCOc1cc(C)nc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167932332 780964919 /nfs/dbraw/zinc/96/49/19/780964919.db2.gz QIQOSUXLDIFPGV-UHFFFAOYSA-N -1 1 349.327 2.268 20 0 EEADMM CC(C)[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000704761947 783906418 /nfs/dbraw/zinc/90/64/18/783906418.db2.gz KSHPUYGWHXCYJF-MRXNPFEDSA-N -1 1 330.428 2.220 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)o1 ZINC000907473006 784640707 /nfs/dbraw/zinc/64/07/07/784640707.db2.gz AZPXLFCDQZTOSS-RTXFEEFZSA-N -1 1 347.444 2.165 20 0 EEADMM CCCCc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907473052 784642570 /nfs/dbraw/zinc/64/25/70/784642570.db2.gz BOFDDIWJRCXGFN-AWEZNQCLSA-N -1 1 331.445 2.473 20 0 EEADMM CCc1ccc([C@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907477261 784647427 /nfs/dbraw/zinc/64/74/27/784647427.db2.gz UNQTWPBYCICRBL-SMDDNHRTSA-N -1 1 331.445 2.182 20 0 EEADMM O=C(/C(F)=C\C1CCCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479781 784687632 /nfs/dbraw/zinc/68/76/32/784687632.db2.gz MPXRTFWHUDYELX-JATZPVMKSA-N -1 1 325.413 2.250 20 0 EEADMM O=C([O-])[C@@]1(C(=O)N2CCN(C3CCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000907801565 784856283 /nfs/dbraw/zinc/85/62/83/784856283.db2.gz UWYVPPMFQCFBEU-XLIONFOSSA-N -1 1 342.439 2.332 20 0 EEADMM O=C(CCC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945906071 785076514 /nfs/dbraw/zinc/07/65/14/785076514.db2.gz VFMWTNARVDWKNH-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1nc(C)c(C)c(NC[C@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063474801 791090013 /nfs/dbraw/zinc/09/00/13/791090013.db2.gz SSMPIJVNECYWAI-CQSZACIVSA-N -1 1 341.415 2.219 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1CNc1ncnc2ccccc21 ZINC001063474441 791090040 /nfs/dbraw/zinc/09/00/40/791090040.db2.gz GOQFRRSDOUBCAZ-CYBMUJFWSA-N -1 1 349.394 2.447 20 0 EEADMM CCCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCC[C@H](C)C1 ZINC000818801731 785324935 /nfs/dbraw/zinc/32/49/35/785324935.db2.gz COOOAWHALBDLJE-GJZGRUSLSA-N -1 1 335.448 2.134 20 0 EEADMM O=C(Nc1cccc(OCC(F)F)n1)c1cnc(C2CC2)[n-]c1=O ZINC000908371724 785363454 /nfs/dbraw/zinc/36/34/54/785363454.db2.gz KMMXIHBCRRAASY-UHFFFAOYSA-N -1 1 336.298 2.351 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1)c1ncccc1[O-] ZINC000946099115 785497346 /nfs/dbraw/zinc/49/73/46/785497346.db2.gz BDJCOMRHGNONQG-LSDHHAIUSA-N -1 1 339.395 2.116 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(=O)[O-] ZINC000908750850 785681519 /nfs/dbraw/zinc/68/15/19/785681519.db2.gz DRHVSYOEXODARW-DKLOGILVSA-N -1 1 349.431 2.017 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000908747631 785686945 /nfs/dbraw/zinc/68/69/45/785686945.db2.gz OMELWZTUQPGMMW-AZBIDPCXSA-N -1 1 335.404 2.135 20 0 EEADMM CC(C)Oc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000908754397 785701559 /nfs/dbraw/zinc/70/15/59/785701559.db2.gz OFGJLVRNQRBCER-HOCLYGCPSA-N -1 1 348.443 2.448 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000908813225 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Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc(C)c1F ZINC000786509025 806803312 /nfs/dbraw/zinc/80/33/12/806803312.db2.gz VYCCKIHJJDZFAC-UHFFFAOYSA-N -1 1 347.371 2.438 20 0 EEADMM O=C(CSCc1ccc(F)cc1)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001180570237 800478349 /nfs/dbraw/zinc/47/83/49/800478349.db2.gz WTFMPHNROUIEHT-UHFFFAOYSA-N -1 1 333.348 2.070 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCSC[C@H]1c1nccs1 ZINC000828197785 800633520 /nfs/dbraw/zinc/63/35/20/800633520.db2.gz MOYSQUYLOFTTQQ-NSHDSACASA-N -1 1 348.453 2.446 20 0 EEADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001181253905 800730291 /nfs/dbraw/zinc/73/02/91/800730291.db2.gz LULWTHTXXGHKSS-UHFFFAOYSA-N -1 1 342.359 2.017 20 0 EEADMM Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001181253905 800730294 /nfs/dbraw/zinc/73/02/94/800730294.db2.gz LULWTHTXXGHKSS-UHFFFAOYSA-N -1 1 342.359 2.017 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cn2ccc3c2cccc3F)n1 ZINC001182819676 801361144 /nfs/dbraw/zinc/36/11/44/801361144.db2.gz FXVGJMYXTFBNDR-UHFFFAOYSA-N -1 1 330.319 2.319 20 0 EEADMM CC(C)CN(CC(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000780633084 801881960 /nfs/dbraw/zinc/88/19/60/801881960.db2.gz VXFHJBUKHXMKNQ-UHFFFAOYSA-N -1 1 339.411 2.010 20 0 EEADMM C[C@H](C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O)c1ccc(O)cc1 ZINC001184281109 801971657 /nfs/dbraw/zinc/97/16/57/801971657.db2.gz YCQYWQVJNJINBD-QMMMGPOBSA-N -1 1 331.332 2.094 20 0 EEADMM C/C(=C/C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001004749235 802744326 /nfs/dbraw/zinc/74/43/26/802744326.db2.gz HBDRBEPNYFUGJA-OKBZDOLXSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004759412 802807186 /nfs/dbraw/zinc/80/71/86/802807186.db2.gz QIJOZQAMBRZVPK-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C)NCc2nccs2)c1[O-] ZINC001004807698 802957163 /nfs/dbraw/zinc/95/71/63/802957163.db2.gz IGJXNTYBEOTYQP-CMPLNLGQSA-N -1 1 349.460 2.053 20 0 EEADMM C[C@@H](CNc1ncnc2c1CCCCC2)NC(=O)c1ncccc1[O-] ZINC001108322856 803311594 /nfs/dbraw/zinc/31/15/94/803311594.db2.gz DUWBVZRDJVOOSX-LBPRGKRZSA-N -1 1 341.415 2.077 20 0 EEADMM C[C@@H](CNc1ncnc2cccc(F)c21)NC(=O)c1ncccc1[O-] ZINC001108322778 803311765 /nfs/dbraw/zinc/31/17/65/803311765.db2.gz BGDYNBNRAQBXJP-JTQLQIEISA-N -1 1 341.346 2.100 20 0 EEADMM C[C@H](CN(C)c1nc2cc(F)ccc2o1)NC(=O)c1ncccc1[O-] ZINC001108933471 804703717 /nfs/dbraw/zinc/70/37/17/804703717.db2.gz ONMXNMPUCCDSPT-SNVBAGLBSA-N -1 1 344.346 2.322 20 0 EEADMM CCc1cc(NCCCN(C)C(=O)c2ncccc2[O-])nc(C)n1 ZINC001109436842 805462720 /nfs/dbraw/zinc/46/27/20/805462720.db2.gz LNKHLGYURZMJJQ-UHFFFAOYSA-N -1 1 329.404 2.022 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccnc(C2CC2)n1 ZINC001112983160 807787078 /nfs/dbraw/zinc/78/70/78/807787078.db2.gz GMUNVXPHBLZMSB-QWRGUYRKSA-N -1 1 327.388 2.074 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)/C=C\SC)c2)n1 ZINC000790160931 808462851 /nfs/dbraw/zinc/46/28/51/808462851.db2.gz WIBKYJOEDJVRNX-FPLPWBNLSA-N -1 1 346.412 2.141 20 0 EEADMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790225993 808547101 /nfs/dbraw/zinc/54/71/01/808547101.db2.gz RNIKYBSSUBKKBW-ZDUSSCGKSA-N -1 1 337.800 2.489 20 0 EEADMM O=C(NCC1(Nc2ncnc3ccsc32)CC1)c1ncccc1[O-] ZINC001110097654 809868969 /nfs/dbraw/zinc/86/89/69/809868969.db2.gz BKONLVMTVKQFGU-UHFFFAOYSA-N -1 1 341.396 2.166 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000792811844 810018697 /nfs/dbraw/zinc/01/86/97/810018697.db2.gz GFMUNFOBFTWMJA-UHFFFAOYSA-N -1 1 340.383 2.152 20 0 EEADMM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc2cncn2c1 ZINC000793108990 810147737 /nfs/dbraw/zinc/14/77/37/810147737.db2.gz DNJIDWOXXVIPBG-UHFFFAOYSA-N -1 1 335.772 2.106 20 0 EEADMM CSCCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000794190498 810706241 /nfs/dbraw/zinc/70/62/41/810706241.db2.gz YLBXNOCORUGZMY-VIFPVBQESA-N -1 1 346.811 2.243 20 0 EEADMM COCCCO[N-]C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000805045427 811125002 /nfs/dbraw/zinc/12/50/02/811125002.db2.gz PZFLSKBWEVYBTD-SECBINFHSA-N -1 1 337.342 2.250 20 0 EEADMM CCc1ccc(N2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000806965388 812036490 /nfs/dbraw/zinc/03/64/90/812036490.db2.gz HLBYJRMREXTTQG-UHFFFAOYSA-N -1 1 338.407 2.486 20 0 EEADMM CN(C(=O)c1sc2ccccc2c1Br)c1nn[n-]n1 ZINC001130972357 812249848 /nfs/dbraw/zinc/24/98/48/812249848.db2.gz VYISTQMSWGHLLA-UHFFFAOYSA-N -1 1 338.190 2.454 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902855090 939288485 /nfs/dbraw/zinc/28/84/85/939288485.db2.gz TWMNOWSRANTXQA-DFKRKDTASA-N -1 1 331.347 2.157 20 0 EEADMM C=C/C=C/CCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573314960 947240873 /nfs/dbraw/zinc/24/08/73/947240873.db2.gz IPKGYAGFVKQPRI-ONEGZZNKSA-N -1 1 325.785 2.230 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573366442 947740587 /nfs/dbraw/zinc/74/05/87/947740587.db2.gz QEUHZUOWTPPBGX-VURMDHGXSA-N -1 1 329.751 2.285 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cc(C)cc(C)c2)c1-c1nnn[n-]1 ZINC000826264199 947762066 /nfs/dbraw/zinc/76/20/66/947762066.db2.gz FUNXPEFJIGAHEL-NSHDSACASA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC000826264199 947762070 /nfs/dbraw/zinc/76/20/70/947762070.db2.gz FUNXPEFJIGAHEL-NSHDSACASA-N -1 1 340.387 2.200 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC001570935480 948982238 /nfs/dbraw/zinc/98/22/38/948982238.db2.gz SHGPQYCRKVWGDG-MRXNPFEDSA-N -1 1 334.383 2.072 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CC1 ZINC001570935480 948982247 /nfs/dbraw/zinc/98/22/47/948982247.db2.gz SHGPQYCRKVWGDG-MRXNPFEDSA-N -1 1 334.383 2.072 20 0 EEADMM CC[C@@H](c1ccccc1)N1CCN(C(=O)NC[C@H](C)C(=O)[O-])CC1 ZINC001589586255 949052163 /nfs/dbraw/zinc/05/21/63/949052163.db2.gz RGHSWEHAPGJAQE-HOCLYGCPSA-N -1 1 333.432 2.186 20 0 EEADMM Cc1ccc(Br)cc1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001570944737 949437589 /nfs/dbraw/zinc/43/75/89/949437589.db2.gz DRBCIYHFVSJHCN-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1SC ZINC001570948564 949611394 /nfs/dbraw/zinc/61/13/94/949611394.db2.gz LRKPCKPINREDKG-QYNIQEEDSA-N -1 1 346.869 2.298 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1SC ZINC001570948564 949611405 /nfs/dbraw/zinc/61/14/05/949611405.db2.gz LRKPCKPINREDKG-QYNIQEEDSA-N -1 1 346.869 2.298 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOc2c(F)ccc(F)c21 ZINC001570950740 949697201 /nfs/dbraw/zinc/69/72/01/949697201.db2.gz SMLIYJIOYZHODH-UHFFFAOYSA-N -1 1 349.322 2.246 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOc2c(F)ccc(F)c21 ZINC001570950740 949697217 /nfs/dbraw/zinc/69/72/17/949697217.db2.gz SMLIYJIOYZHODH-UHFFFAOYSA-N -1 1 349.322 2.246 20 0 EEADMM CCOC(=O)c1c(C)[nH]nc1CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001591087614 951046814 /nfs/dbraw/zinc/04/68/14/951046814.db2.gz HSTRBJCHPPRWCW-ZDUSSCGKSA-N -1 1 343.383 2.473 20 0 EEADMM CCOC(=O)c1cccc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)[nH]c21 ZINC001591197553 951098485 /nfs/dbraw/zinc/09/84/85/951098485.db2.gz VFKNEIRNCSXFLY-NSHDSACASA-N -1 1 333.344 2.035 20 0 EEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2cccc(F)c2)C1=O ZINC001594843037 954098422 /nfs/dbraw/zinc/09/84/22/954098422.db2.gz CUSGAUVOZYNTHF-SJORKVTESA-N -1 1 342.370 2.342 20 0 EEADMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CC12CCC(CC1)C2 ZINC001594896939 954574953 /nfs/dbraw/zinc/57/49/53/954574953.db2.gz VGXSVXHKXKQAOV-XWAURUHHSA-N -1 1 348.365 2.163 20 0 EEADMM O=C([O-])[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)Cc2ccccc21 ZINC001594953815 954969572 /nfs/dbraw/zinc/96/95/72/954969572.db2.gz OTAYNQISGGTKQW-VDNDLQMASA-N -1 1 328.412 2.118 20 0 EEADMM COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2ccc(C(=O)[O-])cc2)O1 ZINC001593825219 955098066 /nfs/dbraw/zinc/09/80/66/955098066.db2.gz GNSPKFOPKQDWPV-FWYOQMDTSA-N -1 1 333.384 2.068 20 0 EEADMM C[C@@H](CN1CCC(c2ccccc2C(=O)[O-])CC1)CS(C)(=O)=O ZINC001589038721 955572579 /nfs/dbraw/zinc/57/25/79/955572579.db2.gz RUOZQQPTVIONSW-ZDUSSCGKSA-N -1 1 339.457 2.245 20 0 EEADMM CC(C)c1cnc(CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)o1 ZINC001603105754 972178307 /nfs/dbraw/zinc/17/83/07/972178307.db2.gz KMHXCMWCZOHAOP-OLZOCXBDSA-N -1 1 332.404 2.222 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCOC[C@@H]1CC1CCOCC1 ZINC000903712771 956910908 /nfs/dbraw/zinc/91/09/08/956910908.db2.gz RYVOLYOZBSJZCG-INIZCTEOSA-N -1 1 349.427 2.281 20 0 EEADMM COc1ccc(Cn2cc(CN3C[C@H](C(=O)[O-])CC[C@H]3C)nn2)cc1 ZINC001594098454 958418854 /nfs/dbraw/zinc/41/88/54/958418854.db2.gz PUEPBXBJEMYLLZ-UKRRQHHQSA-N -1 1 344.415 2.020 20 0 EEADMM CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1c[nH]cn1 ZINC001588607577 959491863 /nfs/dbraw/zinc/49/18/63/959491863.db2.gz LQKPNONHOIQAFJ-UONOGXRCSA-N -1 1 327.384 2.014 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@@H](CO)C2)c(Br)c1 ZINC000226720251 959897207 /nfs/dbraw/zinc/89/72/07/959897207.db2.gz OKGUIPLWJYVTSH-SNVBAGLBSA-N -1 1 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/nfs/dbraw/zinc/16/47/32/577164732.db2.gz DTXSWUGAIXDOBZ-ZDUSSCGKSA-N -1 1 335.404 2.307 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2nc(C)no2)c(=O)[n-]1 ZINC000732514998 577183247 /nfs/dbraw/zinc/18/32/47/577183247.db2.gz IUEWHULLJYDWQX-MRVPVSSYSA-N -1 1 338.389 2.141 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCCCOC(C)C ZINC000733471919 577237870 /nfs/dbraw/zinc/23/78/70/577237870.db2.gz NZCFUTIVUYGNPA-UHFFFAOYSA-N -1 1 335.404 2.343 20 0 EEADMM Cc1ccc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)nc1 ZINC000772266628 577261051 /nfs/dbraw/zinc/26/10/51/577261051.db2.gz IOAYRVJHARMOJO-UHFFFAOYSA-N -1 1 340.383 2.431 20 0 EEADMM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1cc2ccccc2o1 ZINC000773347953 577335340 /nfs/dbraw/zinc/33/53/40/577335340.db2.gz FROMWCJRJXKWQW-CYBMUJFWSA-N -1 1 337.397 2.397 20 0 EEADMM COc1ccc(CN(C)C(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773568634 577352135 /nfs/dbraw/zinc/35/21/35/577352135.db2.gz IBGZNLVUYCRZCY-UHFFFAOYSA-N -1 1 347.342 2.355 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(=O)n(C)c1 ZINC000765143468 577495996 /nfs/dbraw/zinc/49/59/96/577495996.db2.gz NNUQLNDRSCKYKM-UHFFFAOYSA-N -1 1 348.211 2.196 20 0 EEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000766566491 577521632 /nfs/dbraw/zinc/52/16/32/577521632.db2.gz RQIXFVXDVMXTNA-ZETCQYMHSA-N -1 1 343.298 2.232 20 0 EEADMM O=C(Nc1cccnc1N1CCC(O)CC1)c1ccc([O-])c(F)c1 ZINC000768706981 577561097 /nfs/dbraw/zinc/56/10/97/577561097.db2.gz OJNCKIKOVXGBRI-UHFFFAOYSA-N -1 1 331.347 2.140 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCOC2(CCOCC2)CC1 ZINC000769644400 577581676 /nfs/dbraw/zinc/58/16/76/577581676.db2.gz RQWRMODWWDUOLX-UHFFFAOYSA-N -1 1 325.792 2.457 20 0 EEADMM O=C(N[C@@H]1CCCc2c1cnn2CCO)c1c([O-])cccc1Cl ZINC000770132310 577590902 /nfs/dbraw/zinc/59/09/02/577590902.db2.gz QUCXOOMDLCHOJS-GFCCVEGCSA-N -1 1 335.791 2.042 20 0 EEADMM CC(C)[C@@H](CNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000763077358 577714422 /nfs/dbraw/zinc/71/44/22/577714422.db2.gz CCQMZYVSSRKBFY-NEPJUHHUSA-N -1 1 332.322 2.178 20 0 EEADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)OC4)ccc21 ZINC000751553682 577755317 /nfs/dbraw/zinc/75/53/17/577755317.db2.gz PJUQNPRVMCEDMQ-UHFFFAOYSA-N -1 1 343.364 2.045 20 0 EEADMM COC(=O)c1sc(C)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747271238 577942111 /nfs/dbraw/zinc/94/21/11/577942111.db2.gz NLVBWQBTWJHVRH-UHFFFAOYSA-N -1 1 344.414 2.457 20 0 EEADMM COC(=O)c1sc(C)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747271238 577942112 /nfs/dbraw/zinc/94/21/12/577942112.db2.gz NLVBWQBTWJHVRH-UHFFFAOYSA-N -1 1 344.414 2.457 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000747368449 577943079 /nfs/dbraw/zinc/94/30/79/577943079.db2.gz CMWFBTUBSVZNBU-LBPRGKRZSA-N -1 1 329.404 2.357 20 0 EEADMM C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)NCC(F)(F)F ZINC000748476507 577962602 /nfs/dbraw/zinc/96/26/02/577962602.db2.gz PWDVUUZZLWUAFB-RXMQYKEDSA-N -1 1 343.660 2.409 20 0 EEADMM CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)[N-]OCCOC)CC1=O ZINC000748771187 577966652 /nfs/dbraw/zinc/96/66/52/577966652.db2.gz KMWSHHGOJITVFU-KBPBESRZSA-N -1 1 334.416 2.247 20 0 EEADMM Cc1ccc(N2CC[C@H](N3CCC4(C[C@@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000738612771 578021246 /nfs/dbraw/zinc/02/12/46/578021246.db2.gz DGTKVGBKNZRYIM-CVEARBPZSA-N -1 1 328.412 2.287 20 0 EEADMM Cc1oc(CN2CCC(N(C)c3cccnn3)CC2)cc1C(=O)[O-] ZINC000738979177 578033449 /nfs/dbraw/zinc/03/34/49/578033449.db2.gz LHMPFRWLMIESFQ-UHFFFAOYSA-N -1 1 330.388 2.177 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2cccc3[nH]ncc32)s1 ZINC000739710781 578065149 /nfs/dbraw/zinc/06/51/49/578065149.db2.gz IBTBRWUQXZXENS-UHFFFAOYSA-N -1 1 331.357 2.074 20 0 EEADMM COC(=O)C[C@H]1CCCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735298756 578143037 /nfs/dbraw/zinc/14/30/37/578143037.db2.gz ZUGGBBHKWOSNJH-GFCCVEGCSA-N -1 1 347.444 2.378 20 0 EEADMM CC(C)[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000735709295 578164670 /nfs/dbraw/zinc/16/46/70/578164670.db2.gz QTNKHCIQKYCSBP-GFCCVEGCSA-N -1 1 325.376 2.116 20 0 EEADMM O=C(COC(=O)c1c[nH]c(-c2ccccc2)n1)[N-]C(=O)c1ccccc1 ZINC000735958785 578175082 /nfs/dbraw/zinc/17/50/82/578175082.db2.gz RBVPQABGLVDFAC-UHFFFAOYSA-N -1 1 349.346 2.190 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736216548 578187706 /nfs/dbraw/zinc/18/77/06/578187706.db2.gz VZAYSNFKHQUKQY-WFASDCNBSA-N -1 1 334.391 2.017 20 0 EEADMM C[C@H](CN(CC(=O)Nc1ccccc1OC(F)F)C1CC1)C(=O)[O-] ZINC000736578198 578211306 /nfs/dbraw/zinc/21/13/06/578211306.db2.gz JGDIQVAOZCZHQG-SNVBAGLBSA-N -1 1 342.342 2.412 20 0 EEADMM CN(C)[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000736762987 578222510 /nfs/dbraw/zinc/22/25/10/578222510.db2.gz ZDAAWEMRQDLPKE-CYBMUJFWSA-N -1 1 345.357 2.255 20 0 EEADMM CCC[C@@](C)(NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000736965176 578231635 /nfs/dbraw/zinc/23/16/35/578231635.db2.gz UFKAOVJUHQPOBU-APPDUMDISA-N -1 1 342.386 2.245 20 0 EEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737090269 578237576 /nfs/dbraw/zinc/23/75/76/578237576.db2.gz LNYAXPXUYMFQLP-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737090269 578237577 /nfs/dbraw/zinc/23/75/77/578237577.db2.gz LNYAXPXUYMFQLP-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM CSc1ccc(O[C@@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000737191005 578243100 /nfs/dbraw/zinc/24/31/00/578243100.db2.gz PFVDJWWERQAGHD-NSHDSACASA-N -1 1 347.444 2.095 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000737358274 578252480 /nfs/dbraw/zinc/25/24/80/578252480.db2.gz KITKENIVMHLTJO-ROUUACIJSA-N -1 1 340.423 2.144 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737358718 578252488 /nfs/dbraw/zinc/25/24/88/578252488.db2.gz OHNDETLMKNXWSU-SFHVURJKSA-N -1 1 338.407 2.400 20 0 EEADMM Cc1nn(C)c(C)c1CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737509734 578261544 /nfs/dbraw/zinc/26/15/44/578261544.db2.gz IYDXJDCVMUDBQA-UHFFFAOYSA-N -1 1 348.414 2.420 20 0 EEADMM Cc1nn(C)c(C)c1CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737509734 578261545 /nfs/dbraw/zinc/26/15/45/578261545.db2.gz IYDXJDCVMUDBQA-UHFFFAOYSA-N -1 1 348.414 2.420 20 0 EEADMM Clc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000737573703 578264968 /nfs/dbraw/zinc/26/49/68/578264968.db2.gz AQXFDGBEYROJJB-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000737573703 578264969 /nfs/dbraw/zinc/26/49/69/578264969.db2.gz AQXFDGBEYROJJB-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM CCO[C@@H](C)c1nc(CN(C)c2cccc(-c3nnn[n-]3)n2)cs1 ZINC000821347514 599072212 /nfs/dbraw/zinc/07/22/12/599072212.db2.gz WROYHYIGYCROSP-JTQLQIEISA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@@H](C)c1nc(CN(C)c2cccc(-c3nn[n-]n3)n2)cs1 ZINC000821347514 599072215 /nfs/dbraw/zinc/07/22/15/599072215.db2.gz WROYHYIGYCROSP-JTQLQIEISA-N -1 1 345.432 2.452 20 0 EEADMM COc1ccc(O[C@@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000821839752 599076139 /nfs/dbraw/zinc/07/61/39/599076139.db2.gz XYVUUUSENYTHLR-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM COc1ccc(O[C@@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000821839752 599076142 /nfs/dbraw/zinc/07/61/42/599076142.db2.gz XYVUUUSENYTHLR-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM O[C@H](CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823674051 599086480 /nfs/dbraw/zinc/08/64/80/599086480.db2.gz PKVTZVHEDHVCNS-GFCCVEGCSA-N -1 1 330.779 2.451 20 0 EEADMM O[C@H](CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823674051 599086483 /nfs/dbraw/zinc/08/64/83/599086483.db2.gz PKVTZVHEDHVCNS-GFCCVEGCSA-N -1 1 330.779 2.451 20 0 EEADMM CN1CCN(c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000820626939 598134916 /nfs/dbraw/zinc/13/49/16/598134916.db2.gz WRASYLKUZUUNPU-UHFFFAOYSA-N -1 1 339.395 2.389 20 0 EEADMM Cc1cc(F)ccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000037376118 600050601 /nfs/dbraw/zinc/05/06/01/600050601.db2.gz ZDQMCUSYCNPIMS-UHFFFAOYSA-N -1 1 330.362 2.019 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@@H]1C1CCCCC1)c1nc[nH]c1Br ZINC000866873798 678406979 /nfs/dbraw/zinc/40/69/79/678406979.db2.gz XMGQQVXVLAOZJH-ZJUUUORDSA-N -1 1 348.266 2.419 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000405425113 600263377 /nfs/dbraw/zinc/26/33/77/600263377.db2.gz GXOTYNVBSLJHRA-CQSZACIVSA-N -1 1 334.416 2.448 20 0 EEADMM O=C([O-])[C@H](NCCn1c(=O)oc2ccccc21)c1ccccc1F ZINC000833165221 600748073 /nfs/dbraw/zinc/74/80/73/600748073.db2.gz GVJORGFEGGDFNX-OAHLLOKOSA-N -1 1 330.315 2.149 20 0 EEADMM C[C@@](NCC(=O)Nc1ccc(N2CCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000827727211 601031911 /nfs/dbraw/zinc/03/19/11/601031911.db2.gz HAXRUCYMOZLQMP-SFHVURJKSA-N -1 1 331.416 2.068 20 0 EEADMM C[C@@](NCC(=O)Nc1ccc(C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827728638 601033586 /nfs/dbraw/zinc/03/35/86/601033586.db2.gz UJULAMPJOUUUNS-AWEZNQCLSA-N -1 1 330.306 2.487 20 0 EEADMM Cc1ccc([C@H](NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832923915 601034823 /nfs/dbraw/zinc/03/48/23/601034823.db2.gz SOVQHKIKMNQBID-PKOBYXMFSA-N -1 1 330.428 2.405 20 0 EEADMM CC(C)c1ccc(CCNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000827118543 601036645 /nfs/dbraw/zinc/03/66/45/601036645.db2.gz WDOIJQFBKMPFFM-IBGZPJMESA-N -1 1 332.444 2.312 20 0 EEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000827935482 601039104 /nfs/dbraw/zinc/03/91/04/601039104.db2.gz RWCFLDQPLBVIRK-QGHHPUGFSA-N -1 1 340.370 2.327 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832244600 601040559 /nfs/dbraw/zinc/04/05/59/601040559.db2.gz FKOWKTAHMIRBTI-MJGOQNOKSA-N -1 1 346.427 2.105 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000827354277 601106994 /nfs/dbraw/zinc/10/69/94/601106994.db2.gz CTIREXVGKKPBFY-WXJAXGNASA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000827380690 601121857 /nfs/dbraw/zinc/12/18/57/601121857.db2.gz UYRXWDHOFKRKDD-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM COc1cc(C)ccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831966629 601130991 /nfs/dbraw/zinc/13/09/91/601130991.db2.gz GPRKCSIVRZPRDU-CYBMUJFWSA-N -1 1 335.404 2.016 20 0 EEADMM C/C(=C/CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)C(=O)[O-] ZINC000825746677 601164799 /nfs/dbraw/zinc/16/47/99/601164799.db2.gz JSQHCVYFUSAMPY-APSNUPSMSA-N -1 1 340.427 2.021 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000828716997 601328943 /nfs/dbraw/zinc/32/89/43/601328943.db2.gz IFIVDROHJMDFLG-KMCQBPLKSA-N -1 1 332.444 2.480 20 0 EEADMM CCOC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829989668 601378133 /nfs/dbraw/zinc/37/81/33/601378133.db2.gz JCDXJWHKZBHMIB-ZIAGYGMSSA-N -1 1 334.416 2.379 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])[nH]1 ZINC000833021904 601610751 /nfs/dbraw/zinc/61/07/51/601610751.db2.gz SDFYJUPNCVLYHB-HZMBPMFUSA-N -1 1 348.428 2.174 20 0 EEADMM O=C(CN1CCS[C@H]2CCCC[C@@H]21)NC1(C(=O)[O-])CCCCC1 ZINC000833109129 601613004 /nfs/dbraw/zinc/61/30/04/601613004.db2.gz IDXBGRUHPNLCED-KBPBESRZSA-N -1 1 340.489 2.250 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000833091578 601715116 /nfs/dbraw/zinc/71/51/16/601715116.db2.gz AGIDKHCFMKFQGZ-MAUKXSAKSA-N -1 1 334.391 2.066 20 0 EEADMM CC(C)C1CCC(N2CCN(C(=O)C(C)(C)NC(=O)[O-])CC2)CC1 ZINC000826727603 601813896 /nfs/dbraw/zinc/81/38/96/601813896.db2.gz RCFNPZPPAAFZIF-UHFFFAOYSA-N -1 1 339.480 2.392 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCC2 ZINC000826495805 607528380 /nfs/dbraw/zinc/52/83/80/607528380.db2.gz CBTXEZZHKVHNAU-HSZRJFAPSA-N -1 1 325.397 2.058 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCC2 ZINC000826495805 607528382 /nfs/dbraw/zinc/52/83/82/607528382.db2.gz CBTXEZZHKVHNAU-HSZRJFAPSA-N -1 1 325.397 2.058 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826300027 607571755 /nfs/dbraw/zinc/57/17/55/607571755.db2.gz FASIKHNUJNZSLG-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826300027 607571757 /nfs/dbraw/zinc/57/17/57/607571757.db2.gz FASIKHNUJNZSLG-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CCC(CC)(CC)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825089415 607646982 /nfs/dbraw/zinc/64/69/82/607646982.db2.gz FMKYAOJZAHWANB-UHFFFAOYSA-N -1 1 341.412 2.253 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000832842073 603956075 /nfs/dbraw/zinc/95/60/75/603956075.db2.gz XNWRUZARXQMEEH-ZDUSSCGKSA-N -1 1 328.372 2.278 20 0 EEADMM C[C@H](c1ccccn1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833550430 604564899 /nfs/dbraw/zinc/56/48/99/604564899.db2.gz VWDOSLJPOFTCAE-HIFRSBDPSA-N -1 1 330.384 2.213 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3CC(=O)[O-])n[nH]2)c1 ZINC000832510130 604575318 /nfs/dbraw/zinc/57/53/18/604575318.db2.gz BKRRNKKSKIKEMA-GFCCVEGCSA-N -1 1 329.356 2.165 20 0 EEADMM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000827915352 604766622 /nfs/dbraw/zinc/76/66/22/604766622.db2.gz NFPYJULZFFLYRI-QWRGUYRKSA-N -1 1 345.424 2.262 20 0 EEADMM O=C([O-])Cn1cc(CCSc2nc3ccc(Cl)cc3[nH]2)nn1 ZINC000833273449 604780702 /nfs/dbraw/zinc/78/07/02/604780702.db2.gz POCQVKNTWWMEID-UHFFFAOYSA-N -1 1 337.792 2.227 20 0 EEADMM O=C(COCc1ccccc1)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833764339 604867902 /nfs/dbraw/zinc/86/79/02/604867902.db2.gz GQZGVJPIMJZKMM-UHFFFAOYSA-N -1 1 325.324 2.416 20 0 EEADMM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833540322 604897754 /nfs/dbraw/zinc/89/77/54/604897754.db2.gz SYASPYWEAKVFRT-WBMJQRKESA-N -1 1 345.399 2.113 20 0 EEADMM C[C@H]1CCc2c(sc3nc(CN4CC[C@@H](C(=O)[O-])C4)nc(N)c32)C1 ZINC000820245612 604907837 /nfs/dbraw/zinc/90/78/37/604907837.db2.gz OSXKMSKUDVCUGH-VHSXEESVSA-N -1 1 346.456 2.305 20 0 EEADMM CCCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000829519733 604993091 /nfs/dbraw/zinc/99/30/91/604993091.db2.gz PPZFVOKAMXBTCE-MRXNPFEDSA-N -1 1 327.384 2.137 20 0 EEADMM Cc1ccc(F)c(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833749852 605037802 /nfs/dbraw/zinc/03/78/02/605037802.db2.gz XNOLMWWIOQKSFN-LBPRGKRZSA-N -1 1 339.436 2.312 20 0 EEADMM COCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000833725651 605041346 /nfs/dbraw/zinc/04/13/46/605041346.db2.gz DISCWWRUOJIISY-UHFFFAOYSA-N -1 1 327.383 2.394 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000833622272 605098512 /nfs/dbraw/zinc/09/85/12/605098512.db2.gz AGEXIQGMRMLWDV-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)Oc1cccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833507116 605108624 /nfs/dbraw/zinc/10/86/24/605108624.db2.gz UQENEGVJRQASHM-OAHLLOKOSA-N -1 1 348.443 2.024 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833471340 605167627 /nfs/dbraw/zinc/16/76/27/605167627.db2.gz KIHKEXWXSXNDFK-CQSZACIVSA-N -1 1 341.358 2.467 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2ccc(C)cc2)C1)C(=O)[O-] ZINC000833638964 605422338 /nfs/dbraw/zinc/42/23/38/605422338.db2.gz LVHGNGQYQJBBEX-LESCRADOSA-N -1 1 332.444 2.400 20 0 EEADMM O=C(CCC(=O)c1cccs1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822950361 606195908 /nfs/dbraw/zinc/19/59/08/606195908.db2.gz LBZUWSMEOGDJCK-UHFFFAOYSA-N -1 1 343.368 2.235 20 0 EEADMM COc1cccc([C@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821859923 606296572 /nfs/dbraw/zinc/29/65/72/606296572.db2.gz ULVNGOLUAPMAQU-JTQLQIEISA-N -1 1 339.355 2.323 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563480 606465428 /nfs/dbraw/zinc/46/54/28/606465428.db2.gz RBUVLMBGNNROAW-GWCFXTLKSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563480 606465431 /nfs/dbraw/zinc/46/54/31/606465431.db2.gz RBUVLMBGNNROAW-GWCFXTLKSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccncc1 ZINC000820274836 606476867 /nfs/dbraw/zinc/47/68/67/606476867.db2.gz KARTXEJYIDZLDW-LLVKDONJSA-N -1 1 332.371 2.421 20 0 EEADMM C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccncc1 ZINC000820274836 606476869 /nfs/dbraw/zinc/47/68/69/606476869.db2.gz KARTXEJYIDZLDW-LLVKDONJSA-N -1 1 332.371 2.421 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821795224 606490460 /nfs/dbraw/zinc/49/04/60/606490460.db2.gz WFMUSPNRMVQZGK-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821795224 606490461 /nfs/dbraw/zinc/49/04/61/606490461.db2.gz WFMUSPNRMVQZGK-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM O=C(OCc1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440304 606491038 /nfs/dbraw/zinc/49/10/38/606491038.db2.gz MIBCPTKYCKWSPD-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(OCc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440304 606491039 /nfs/dbraw/zinc/49/10/39/606491039.db2.gz MIBCPTKYCKWSPD-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372403 606502326 /nfs/dbraw/zinc/50/23/26/606502326.db2.gz BJRGGGKXMHHKOQ-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372403 606502327 /nfs/dbraw/zinc/50/23/27/606502327.db2.gz BJRGGGKXMHHKOQ-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000822534929 606534487 /nfs/dbraw/zinc/53/44/87/606534487.db2.gz CGKBNORIWYIEBC-QWRGUYRKSA-N -1 1 340.387 2.429 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000822534929 606534489 /nfs/dbraw/zinc/53/44/89/606534489.db2.gz CGKBNORIWYIEBC-QWRGUYRKSA-N -1 1 340.387 2.429 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821504102 606558483 /nfs/dbraw/zinc/55/84/83/606558483.db2.gz ACSLGMKBPVFRNM-SSDOTTSWSA-N -1 1 334.430 2.438 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821504102 606558484 /nfs/dbraw/zinc/55/84/84/606558484.db2.gz ACSLGMKBPVFRNM-SSDOTTSWSA-N -1 1 334.430 2.438 20 0 EEADMM CCC(=CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC ZINC000820833008 607091295 /nfs/dbraw/zinc/09/12/95/607091295.db2.gz PVKLKGDSHQKWRS-UHFFFAOYSA-N -1 1 347.375 2.305 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820298865 607105927 /nfs/dbraw/zinc/10/59/27/607105927.db2.gz BSDAZYYNIZQVKX-MRVPVSSYSA-N -1 1 332.364 2.280 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820298865 607105929 /nfs/dbraw/zinc/10/59/29/607105929.db2.gz BSDAZYYNIZQVKX-MRVPVSSYSA-N -1 1 332.364 2.280 20 0 EEADMM CC(C)n1cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2n1 ZINC000820214427 607156263 /nfs/dbraw/zinc/15/62/63/607156263.db2.gz AOIFMDWLHITMRG-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2n1 ZINC000820214427 607156265 /nfs/dbraw/zinc/15/62/65/607156265.db2.gz AOIFMDWLHITMRG-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821016549 607194588 /nfs/dbraw/zinc/19/45/88/607194588.db2.gz XJXYFPOBCBOKLN-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821016549 607194589 /nfs/dbraw/zinc/19/45/89/607194589.db2.gz XJXYFPOBCBOKLN-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826493620 607867980 /nfs/dbraw/zinc/86/79/80/607867980.db2.gz UMEWHABXDMZXFZ-UHFFFAOYSA-N -1 1 326.353 2.047 20 0 EEADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826493620 607867981 /nfs/dbraw/zinc/86/79/81/607867981.db2.gz UMEWHABXDMZXFZ-UHFFFAOYSA-N -1 1 326.353 2.047 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)c(F)c(F)c1 ZINC000826450774 607997590 /nfs/dbraw/zinc/99/75/90/607997590.db2.gz CYLRZOUYYPMKTP-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CCS2 ZINC000826375948 608393822 /nfs/dbraw/zinc/39/38/22/608393822.db2.gz IQUDROFMZMLXKF-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CCS2 ZINC000826375948 608393824 /nfs/dbraw/zinc/39/38/24/608393824.db2.gz IQUDROFMZMLXKF-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM CC(C)COc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824270872 608414976 /nfs/dbraw/zinc/41/49/76/608414976.db2.gz IYUGWMDFOIOCEN-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)COc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824270872 608414978 /nfs/dbraw/zinc/41/49/78/608414978.db2.gz IYUGWMDFOIOCEN-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)c1ccccc1OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000824352752 608416729 /nfs/dbraw/zinc/41/67/29/608416729.db2.gz LSJAXXFMVHGUTA-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccccc1OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000824352752 608416731 /nfs/dbraw/zinc/41/67/31/608416731.db2.gz LSJAXXFMVHGUTA-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM c1cc(N2CCC(OCC3CCCCC3)CC2)nnc1-c1nnn[n-]1 ZINC000826516687 608425602 /nfs/dbraw/zinc/42/56/02/608425602.db2.gz WEXLGJWBGIAJJF-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM c1cc(N2CCC(OCC3CCCCC3)CC2)nnc1-c1nn[n-]n1 ZINC000826516687 608425604 /nfs/dbraw/zinc/42/56/04/608425604.db2.gz WEXLGJWBGIAJJF-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM Fc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826373878 608430873 /nfs/dbraw/zinc/43/08/73/608430873.db2.gz CLEKBVBNTOKAHC-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826373878 608430875 /nfs/dbraw/zinc/43/08/75/608430875.db2.gz CLEKBVBNTOKAHC-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM CC/C=C(/C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825218061 609288856 /nfs/dbraw/zinc/28/88/56/609288856.db2.gz BIYZJABZJSXXIK-YHYXMXQVSA-N -1 1 341.350 2.486 20 0 EEADMM C[C@@H]1CN(C(=O)C=C2CCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020725287 675449809 /nfs/dbraw/zinc/44/98/09/675449809.db2.gz XYNBJTDDDALRBC-UKRRQHHQSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)c3ncccc3O)C[C@H]2C)o1 ZINC000947235775 675654533 /nfs/dbraw/zinc/65/45/33/675654533.db2.gz OFNSRKBFZBGAQQ-RISCZKNCSA-N -1 1 344.415 2.175 20 0 EEADMM CC(C)n1c(CCNC(=O)CSCC(F)(F)F)n[n-]c1=S ZINC000090565199 676338147 /nfs/dbraw/zinc/33/81/47/676338147.db2.gz WBUAEGPQNXTYEL-UHFFFAOYSA-N -1 1 342.412 2.476 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c(Cl)nc2ccccn21 ZINC000051266002 676706613 /nfs/dbraw/zinc/70/66/13/676706613.db2.gz OLHUCZMHEMIGRO-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM O=C(COCCOc1ccccc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625159 676734099 /nfs/dbraw/zinc/73/40/99/676734099.db2.gz VVGFYRZIPYLJGP-UHFFFAOYSA-N -1 1 343.383 2.095 20 0 EEADMM CN(CCCN(C)C(=O)C(C)(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001067454706 676808395 /nfs/dbraw/zinc/80/83/95/676808395.db2.gz ZARFOOIZEFHAGP-UHFFFAOYSA-N -1 1 348.447 2.026 20 0 EEADMM CCC(C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000971902499 677794839 /nfs/dbraw/zinc/79/48/39/677794839.db2.gz OEQVPIABTJDMPA-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)cn1 ZINC000947229523 677798936 /nfs/dbraw/zinc/79/89/36/677798936.db2.gz CEFWWDNCYPAORZ-JSGCOSHPSA-N -1 1 344.390 2.104 20 0 EEADMM C[C@H]1CC([N-]S(=O)(=O)c2nc[nH]c2Br)C[C@H](C)C1 ZINC000866853338 677871838 /nfs/dbraw/zinc/87/18/38/677871838.db2.gz XFYYXLSUWPWJQE-HTQZYQBOSA-N -1 1 336.255 2.275 20 0 EEADMM Cc1nocc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1O ZINC001024337947 679876110 /nfs/dbraw/zinc/87/61/10/679876110.db2.gz UVPMTFIDHKTSIE-OAHLLOKOSA-N -1 1 329.400 2.473 20 0 EEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000909536277 685319140 /nfs/dbraw/zinc/31/91/40/685319140.db2.gz QLSFTPYCTSSRNG-GJZGRUSLSA-N -1 1 341.411 2.107 20 0 EEADMM CCc1cc(C(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C)s2)n[nH]1 ZINC000127035401 685398090 /nfs/dbraw/zinc/39/80/90/685398090.db2.gz ZVEVEAAVGZUWOU-UHFFFAOYSA-N -1 1 349.445 2.447 20 0 EEADMM Cc1sccc1C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000937339106 681289225 /nfs/dbraw/zinc/28/92/25/681289225.db2.gz LIRGMJXSWQGBLX-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM Cn1c(CNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)n[n-]c1=S ZINC000066625881 681740337 /nfs/dbraw/zinc/74/03/37/681740337.db2.gz WJKOSLQYAWEPAT-UHFFFAOYSA-N -1 1 338.343 2.222 20 0 EEADMM 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CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C[C@@H]1C=CCC1 ZINC001007861740 1222465910 /nfs/dbraw/zinc/46/59/10/1222465910.db2.gz VIFZSXCGKWFXKY-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001008068128 1222602188 /nfs/dbraw/zinc/60/21/88/1222602188.db2.gz AFDXAWYINHZIKK-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])CN1C(=O)CC(C)(C)C ZINC001010002155 1223494770 /nfs/dbraw/zinc/49/47/70/1223494770.db2.gz CSDSHKYTVYEJAW-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCCc1ccc(CN2CC[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cc1 ZINC001010620120 1223815792 /nfs/dbraw/zinc/81/57/92/1223815792.db2.gz ALACUBBQRQMPIK-INIZCTEOSA-N -1 1 342.443 2.381 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)C1(F)CCCCC1 ZINC001014064306 1226177283 /nfs/dbraw/zinc/17/72/83/1226177283.db2.gz RZARLKOHVSGBCE-CHWSQXEVSA-N -1 1 349.406 2.179 20 0 EEADMM CC(C)(C)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014255617 1226418204 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EEADMM CN(C[C@H]1CCCCN1C(=O)C1=CCCC1)C(=O)c1ncccc1[O-] ZINC001019746067 1229312110 /nfs/dbraw/zinc/31/21/10/1229312110.db2.gz XDXHCGFMRUXUIJ-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM O=C(NC[C@H]1CCN1CCc1ccccc1Cl)c1ncccc1[O-] ZINC001038184247 1229680172 /nfs/dbraw/zinc/68/01/72/1229680172.db2.gz RCITWGIVDXQQJQ-CQSZACIVSA-N -1 1 345.830 2.487 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1cc(F)cc(F)c1)c1ncccc1[O-] ZINC001038195019 1229684569 /nfs/dbraw/zinc/68/45/69/1229684569.db2.gz RNSYHXRXTLFSHM-CQSZACIVSA-N -1 1 333.338 2.070 20 0 EEADMM Cc1cc(NC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]2C)ncn1 ZINC001039865161 1230867815 /nfs/dbraw/zinc/86/78/15/1230867815.db2.gz PDMOVIKCSBLNMN-OCCSQVGLSA-N -1 1 341.415 2.096 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CC[C@H]2CCCC2(F)F)C1 ZINC001042646153 1232128306 /nfs/dbraw/zinc/12/83/06/1232128306.db2.gz LVECKRMDUCAFGK-GFCCVEGCSA-N -1 1 339.386 2.369 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CCc2ccccc2Cl)C1 ZINC001042645659 1232128570 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CC(C)(C)CCNC(=O)COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000801203120 1235213168 /nfs/dbraw/zinc/21/31/68/1235213168.db2.gz HUBBPDAHVDRNDP-UHFFFAOYSA-N -1 1 345.399 2.287 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1nccs1 ZINC000801326411 1235426336 /nfs/dbraw/zinc/42/63/36/1235426336.db2.gz QYBGWQROBKKGDA-UHFFFAOYSA-N -1 1 347.327 2.213 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N(C)C(N)=O)c2)c1 ZINC001413363592 1235906636 /nfs/dbraw/zinc/90/66/36/1235906636.db2.gz VFJGTZQXYLMBLP-UHFFFAOYSA-N -1 1 335.385 2.011 20 0 EEADMM CC/C(C)=C/C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC001047501101 1236115087 /nfs/dbraw/zinc/11/50/87/1236115087.db2.gz GIIIUYKWDMUQRG-SAIHVBEPSA-N -1 1 343.427 2.253 20 0 EEADMM COc1cc(OC)c(CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1F ZINC000901677092 1236149217 /nfs/dbraw/zinc/14/92/17/1236149217.db2.gz IXZZPWHHTXFUGH-ZDUSSCGKSA-N -1 1 341.379 2.299 20 0 EEADMM COc1cncc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)c1C ZINC000901878073 1236526412 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EEADMM C[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590331437 1349270555 /nfs/dbraw/zinc/27/05/55/1349270555.db2.gz LMSRLQVJUKTAQL-SNVBAGLBSA-N -1 1 338.346 2.240 20 0 EEADMM C[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590331437 1349270560 /nfs/dbraw/zinc/27/05/60/1349270560.db2.gz LMSRLQVJUKTAQL-SNVBAGLBSA-N -1 1 338.346 2.240 20 0 EEADMM COCCOCc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001591439539 1349483223 /nfs/dbraw/zinc/48/32/23/1349483223.db2.gz MXCBRZNDTXMDNT-UHFFFAOYSA-N -1 1 326.360 2.168 20 0 EEADMM COCCOCc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001591439539 1349483226 /nfs/dbraw/zinc/48/32/26/1349483226.db2.gz MXCBRZNDTXMDNT-UHFFFAOYSA-N -1 1 326.360 2.168 20 0 EEADMM O=C([O-])[C@@H](c1cccc(C(F)(F)F)c1)N1CC[C@@H](n2cncn2)C1 ZINC001601691391 1350339121 /nfs/dbraw/zinc/33/91/21/1350339121.db2.gz NMOUCRZRLQIFRE-CHWSQXEVSA-N -1 1 340.305 2.370 20 0 EEADMM O=C([O-])c1ccc(CNC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1 ZINC001602348204 1350501430 /nfs/dbraw/zinc/50/14/30/1350501430.db2.gz UXQSWHKDFRGTOX-SECBINFHSA-N -1 1 331.212 2.416 20 0 EEADMM O=Cc1[nH]nc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)ccc12 ZINC001602668640 1350570277 /nfs/dbraw/zinc/57/02/77/1350570277.db2.gz GPBMEBBHDRODFB-OAHLLOKOSA-N -1 1 342.282 2.497 20 0 EEADMM O=C([O-])C1(C(=O)NC[C@@H]2CCN2Cc2ccccc2)CC2(CCC2)C1 ZINC001608565244 1351717034 /nfs/dbraw/zinc/71/70/34/1351717034.db2.gz NOIODSFMUYJMBQ-INIZCTEOSA-N -1 1 342.439 2.412 20 0 EEADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCN(c2cccc(F)n2)CC1 ZINC001608560792 1351715702 /nfs/dbraw/zinc/71/57/02/1351715702.db2.gz DUUGRKMKFCWMBA-INIZCTEOSA-N -1 1 333.338 2.308 20 0 EEADMM Fc1ccc(OC[C@H]2CCC[C@@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001606322531 1351292873 /nfs/dbraw/zinc/29/28/73/1351292873.db2.gz CKEIOXWEQPUSTC-APPZFPTMSA-N -1 1 347.272 2.280 20 0 EEADMM Cc1cc(NCc2ccnc(OC(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001605739158 1351220436 /nfs/dbraw/zinc/22/04/36/1351220436.db2.gz DENOXSOVLJASBT-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1cc(NCc2ccnc(OC(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001605739158 1351220439 /nfs/dbraw/zinc/22/04/39/1351220439.db2.gz DENOXSOVLJASBT-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)c2cccnc12 ZINC001301655383 1331307578 /nfs/dbraw/zinc/30/75/78/1331307578.db2.gz RTHQYDQTQQGXPP-HNNXBMFYSA-N -1 1 348.341 2.406 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1C ZINC001607823425 1351565591 /nfs/dbraw/zinc/56/55/91/1351565591.db2.gz ZDIUYCDATRCLJH-UHFFFAOYSA-N -1 1 337.401 2.120 20 0 EEADMM Cc1cc([C@H]([NH2+]CC(=O)[N-]OCc2ccccc2)C(=O)[O-])ccc1F ZINC001607612407 1351525391 /nfs/dbraw/zinc/52/53/91/1351525391.db2.gz NQWGDWMDJXQUHB-KRWDZBQOSA-N -1 1 346.358 2.097 20 0 EEADMM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001309722250 1331639874 /nfs/dbraw/zinc/63/98/74/1331639874.db2.gz QWQYUNFDLSZYKM-RNCFNFMXSA-N -1 1 344.795 2.275 20 0 EEADMM O=C([O-])C[C@]1(NCC(=O)Nc2ccc(Cl)cc2Cl)CCOC1 ZINC001608686816 1351741989 /nfs/dbraw/zinc/74/19/89/1351741989.db2.gz WNMWFNQWFYVOCR-CQSZACIVSA-N -1 1 347.198 2.155 20 0 EEADMM O=C([O-])Cn1cc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)nn1 ZINC001608797465 1351766096 /nfs/dbraw/zinc/76/60/96/1351766096.db2.gz IHRLBYYNFUEWAM-ACHSLPGTSA-N -1 1 326.400 2.273 20 0 EEADMM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC001608819269 1351771172 /nfs/dbraw/zinc/77/11/72/1351771172.db2.gz VOLOETSMRFSKPF-CQSZACIVSA-N -1 1 347.321 2.182 20 0 EEADMM O=C([O-])c1cc(CNCC(=O)N2CCCCc3ccccc32)c[nH]1 ZINC001608844249 1351777127 /nfs/dbraw/zinc/77/71/27/1351777127.db2.gz ZAAXMWNRFJPQGV-UHFFFAOYSA-N -1 1 327.384 2.172 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC001608984986 1351808434 /nfs/dbraw/zinc/80/84/34/1351808434.db2.gz ZBXXCVAWDQPXKG-GFCCVEGCSA-N -1 1 345.403 2.070 20 0 EEADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320584397 1332915494 /nfs/dbraw/zinc/91/54/94/1332915494.db2.gz KLBBGSKPOLKTBW-UHFFFAOYSA-N -1 1 341.216 2.008 20 0 EEADMM Brc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609017828 1351815522 /nfs/dbraw/zinc/81/55/22/1351815522.db2.gz HUVXAYOPTLTTNU-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609017828 1351815524 /nfs/dbraw/zinc/81/55/24/1351815524.db2.gz HUVXAYOPTLTTNU-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM C[C@H](C(=O)OC1CCC(C(C)(C)C)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001609071412 1351829999 /nfs/dbraw/zinc/82/99/99/1351829999.db2.gz DLRWIWZLAZKOMB-VOMCLLRMSA-N -1 1 347.423 2.167 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cccc1C(N)=O ZINC001323136365 1333394245 /nfs/dbraw/zinc/39/42/45/1333394245.db2.gz LUQUIWSTZWKXHQ-UHFFFAOYSA-N -1 1 341.392 2.443 20 0 EEADMM CC(C)c1ccccc1NC(=O)COc1cccnc1-c1nnn[n-]1 ZINC001609105773 1351844424 /nfs/dbraw/zinc/84/44/24/1351844424.db2.gz WXMWOGYKBAPCQP-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CC(C)c1ccccc1NC(=O)COc1cccnc1-c1nn[n-]n1 ZINC001609105773 1351844430 /nfs/dbraw/zinc/84/44/30/1351844430.db2.gz WXMWOGYKBAPCQP-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC001609127165 1351852868 /nfs/dbraw/zinc/85/28/68/1351852868.db2.gz WYHWQTYMNWSIEA-VXGBXAGGSA-N -1 1 349.398 2.040 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC001609127165 1351852872 /nfs/dbraw/zinc/85/28/72/1351852872.db2.gz WYHWQTYMNWSIEA-VXGBXAGGSA-N -1 1 349.398 2.040 20 0 EEADMM CC1(C)CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)O1 ZINC001609144744 1351861151 /nfs/dbraw/zinc/86/11/51/1351861151.db2.gz LSHMCVULDVGUMK-LLVKDONJSA-N -1 1 325.372 2.139 20 0 EEADMM C[C@@]1(C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCCO1 ZINC001324857409 1333774913 /nfs/dbraw/zinc/77/49/13/1333774913.db2.gz BWTFMKPMDDYEPG-NSHDSACASA-N -1 1 325.217 2.236 20 0 EEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)C1(C)C ZINC001324858714 1333775124 /nfs/dbraw/zinc/77/51/24/1333775124.db2.gz HYFIBWXVNMDHRJ-UWVGGRQHSA-N -1 1 339.244 2.480 20 0 EEADMM CC[C@@H](C)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609185542 1351880102 /nfs/dbraw/zinc/88/01/02/1351880102.db2.gz JRIUFPNIKIEVDB-GMSGAONNSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@@H](C)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609185542 1351880107 /nfs/dbraw/zinc/88/01/07/1351880107.db2.gz JRIUFPNIKIEVDB-GMSGAONNSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@H](C)n1ncc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C ZINC001609188089 1351882133 /nfs/dbraw/zinc/88/21/33/1351882133.db2.gz ZNYLTGXUMHWIPC-QMMMGPOBSA-N -1 1 329.364 2.496 20 0 EEADMM CC[C@H](C)n1ncc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C ZINC001609188089 1351882136 /nfs/dbraw/zinc/88/21/36/1351882136.db2.gz ZNYLTGXUMHWIPC-QMMMGPOBSA-N -1 1 329.364 2.496 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001609181012 1351878760 /nfs/dbraw/zinc/87/87/60/1351878760.db2.gz UDVSPGJGLLSXBA-MRVPVSSYSA-N -1 1 329.314 2.059 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001609181012 1351878764 /nfs/dbraw/zinc/87/87/64/1351878764.db2.gz UDVSPGJGLLSXBA-MRVPVSSYSA-N -1 1 329.314 2.059 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001609181013 1351878920 /nfs/dbraw/zinc/87/89/20/1351878920.db2.gz UDVSPGJGLLSXBA-QMMMGPOBSA-N -1 1 329.314 2.059 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001609181013 1351878923 /nfs/dbraw/zinc/87/89/23/1351878923.db2.gz UDVSPGJGLLSXBA-QMMMGPOBSA-N -1 1 329.314 2.059 20 0 EEADMM CCCCCC[C@@](C)([NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001609209130 1351892735 /nfs/dbraw/zinc/89/27/35/1351892735.db2.gz MZVLNRDNCNFTAK-MRXNPFEDSA-N -1 1 332.408 2.165 20 0 EEADMM O=S(=O)([N-]CC1SCCS1)c1cnc(Cl)cc1Cl ZINC001328393260 1334453433 /nfs/dbraw/zinc/45/34/33/1334453433.db2.gz FNGDGRBFJYLLND-UHFFFAOYSA-N -1 1 345.298 2.473 20 0 EEADMM CO[C@@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313327 1351929600 /nfs/dbraw/zinc/92/96/00/1351929600.db2.gz ICTZRPZOTSDURN-WDEREUQCSA-N -1 1 334.811 2.309 20 0 EEADMM CO[C@@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313327 1351929603 /nfs/dbraw/zinc/92/96/03/1351929603.db2.gz ICTZRPZOTSDURN-WDEREUQCSA-N -1 1 334.811 2.309 20 0 EEADMM COc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1OC(C)C ZINC001609358430 1351945996 /nfs/dbraw/zinc/94/59/96/1351945996.db2.gz YRSHVOAPDPPPLX-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1OC(C)C ZINC001609358430 1351946000 /nfs/dbraw/zinc/94/60/00/1351946000.db2.gz YRSHVOAPDPPPLX-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609352687 1351942990 /nfs/dbraw/zinc/94/29/90/1351942990.db2.gz MBRVWKMMTWVFCV-LLVKDONJSA-N -1 1 338.371 2.104 20 0 EEADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609352687 1351942993 /nfs/dbraw/zinc/94/29/93/1351942993.db2.gz MBRVWKMMTWVFCV-LLVKDONJSA-N -1 1 338.371 2.104 20 0 EEADMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4n[nH]cc4c3)ccc2N1 ZINC000007421391 1351949506 /nfs/dbraw/zinc/94/95/06/1351949506.db2.gz MWLMOAVRIFHWIQ-UHFFFAOYSA-N -1 1 342.380 2.248 20 0 EEADMM Cc1ccc(NCCc2nc(-c3ccccc3)n[nH]2)nc1-c1nn[n-]n1 ZINC001609426279 1351972144 /nfs/dbraw/zinc/97/21/44/1351972144.db2.gz LNANYEONIQWNMO-UHFFFAOYSA-N -1 1 347.386 2.010 20 0 EEADMM Cc1ccc(OC(F)F)c(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001609427042 1351972229 /nfs/dbraw/zinc/97/22/29/1351972229.db2.gz IIVJEVVXJCIKIT-UHFFFAOYSA-N -1 1 334.286 2.146 20 0 EEADMM Cc1cnc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C2CC2)s1 ZINC001609441277 1351978627 /nfs/dbraw/zinc/97/86/27/1351978627.db2.gz WQRMYQXZQARGTK-NSHDSACASA-N -1 1 330.373 2.106 20 0 EEADMM Cc1cnc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C2CC2)s1 ZINC001609441277 1351978631 /nfs/dbraw/zinc/97/86/31/1351978631.db2.gz WQRMYQXZQARGTK-NSHDSACASA-N -1 1 330.373 2.106 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001609458173 1351985611 /nfs/dbraw/zinc/98/56/11/1351985611.db2.gz XNLNPYZXYBLDNM-ZWNOBZJWSA-N -1 1 338.371 2.060 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC001609468464 1351989366 /nfs/dbraw/zinc/98/93/66/1351989366.db2.gz WBRZRJYCZURJMZ-UHFFFAOYSA-N -1 1 342.363 2.117 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC001609468464 1351989368 /nfs/dbraw/zinc/98/93/68/1351989368.db2.gz WBRZRJYCZURJMZ-UHFFFAOYSA-N -1 1 342.363 2.117 20 0 EEADMM FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001609485867 1351994437 /nfs/dbraw/zinc/99/44/37/1351994437.db2.gz BIQDJBCLYGEHHG-KOLCDFICSA-N -1 1 345.313 2.226 20 0 EEADMM FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001609485867 1351994443 /nfs/dbraw/zinc/99/44/43/1351994443.db2.gz BIQDJBCLYGEHHG-KOLCDFICSA-N -1 1 345.313 2.226 20 0 EEADMM FC(F)(F)c1ccnc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609485672 1351994717 /nfs/dbraw/zinc/99/47/17/1351994717.db2.gz QMKKMOJIQSOIBJ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1ccnc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609485672 1351994720 /nfs/dbraw/zinc/99/47/20/1351994720.db2.gz QMKKMOJIQSOIBJ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM O=C(NCC1(C2CCC2)CCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609544385 1352011885 /nfs/dbraw/zinc/01/18/85/1352011885.db2.gz HPWXRALRIUQPNC-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(NCC1(C2CCC2)CCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609544385 1352011887 /nfs/dbraw/zinc/01/18/87/1352011887.db2.gz HPWXRALRIUQPNC-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1cccs1 ZINC001609537769 1352008667 /nfs/dbraw/zinc/00/86/67/1352008667.db2.gz QDEAEGKFUVWKFX-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571983 1352020883 /nfs/dbraw/zinc/02/08/83/1352020883.db2.gz WWBFTSVUDMAYIT-DLOVCJGASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571983 1352020887 /nfs/dbraw/zinc/02/08/87/1352020887.db2.gz WWBFTSVUDMAYIT-DLOVCJGASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571983 1352020891 /nfs/dbraw/zinc/02/08/91/1352020891.db2.gz WWBFTSVUDMAYIT-DLOVCJGASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571983 1352020894 /nfs/dbraw/zinc/02/08/94/1352020894.db2.gz WWBFTSVUDMAYIT-DLOVCJGASA-N -1 1 333.417 2.146 20 0 EEADMM c1cc(-c2nc(CCn3cnc4ccccc43)no2)oc1-c1nnn[n-]1 ZINC001609618913 1352042097 /nfs/dbraw/zinc/04/20/97/1352042097.db2.gz XHJYMGUCSXOEJL-UHFFFAOYSA-N -1 1 348.326 2.102 20 0 EEADMM c1cc(-c2nc(CCn3cnc4ccccc43)no2)oc1-c1nn[n-]n1 ZINC001609618913 1352042103 /nfs/dbraw/zinc/04/21/03/1352042103.db2.gz XHJYMGUCSXOEJL-UHFFFAOYSA-N -1 1 348.326 2.102 20 0 EEADMM C[C@@H](NC(=O)CN[C@H](C(=O)[O-])C1CC1)c1ccc2c(c1)CCCC2 ZINC001609764314 1352079106 /nfs/dbraw/zinc/07/91/06/1352079106.db2.gz KZSXXGOSCJMNTP-XIKOKIGWSA-N -1 1 330.428 2.195 20 0 EEADMM C[C@@](O)(Cc1ccccc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001609788030 1352085672 /nfs/dbraw/zinc/08/56/72/1352085672.db2.gz HFBIIHLBRFDGJN-GOSISDBHSA-N -1 1 339.351 2.193 20 0 EEADMM CO[C@]1(C)CCCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001338337766 1336843379 /nfs/dbraw/zinc/84/33/79/1336843379.db2.gz DRYFXRHRMUUGNH-OAHLLOKOSA-N -1 1 337.811 2.241 20 0 EEADMM CC1(C)CN(Cc2c(Br)cccc2C(=O)[O-])C[C@@H]1O ZINC001609819080 1352093275 /nfs/dbraw/zinc/09/32/75/1352093275.db2.gz PZIBAVVFYZRFQF-LBPRGKRZSA-N -1 1 328.206 2.350 20 0 EEADMM C[C@]1(C2CCCC2)CC(=O)N(CN2CCSC[C@@H](C(=O)[O-])C2)C1 ZINC001609822415 1352093843 /nfs/dbraw/zinc/09/38/43/1352093843.db2.gz UYTSBMAHBUSYHP-GUYCJALGSA-N -1 1 340.489 2.122 20 0 EEADMM CN(C[C@H]1CCCOC1)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001338973600 1336939526 /nfs/dbraw/zinc/93/95/26/1336939526.db2.gz GVLVEEXVFWWELG-SNVBAGLBSA-N -1 1 337.811 2.099 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cn1 ZINC001347344270 1337504949 /nfs/dbraw/zinc/50/49/49/1337504949.db2.gz OTJPNDKWTHZPHL-UHFFFAOYSA-N -1 1 333.417 2.273 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H](C)COCc1ccccc1 ZINC001348571137 1337560959 /nfs/dbraw/zinc/56/09/59/1337560959.db2.gz WAOPIQCZPRDNRX-LLVKDONJSA-N -1 1 347.440 2.362 20 0 EEADMM CCOCCC1(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CCCC1 ZINC001349319065 1337617153 /nfs/dbraw/zinc/61/71/53/1337617153.db2.gz HEVARQWMTBIFJQ-UHFFFAOYSA-N -1 1 339.461 2.496 20 0 EEADMM COc1cc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)ccc1Cl ZINC001610304175 1352202970 /nfs/dbraw/zinc/20/29/70/1352202970.db2.gz YVLFLNBHQRIXMN-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM CCO/C=C/[C@@](O)(CNC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000848181831 1338557403 /nfs/dbraw/zinc/55/74/03/1338557403.db2.gz CSVNHHDYLKOTAQ-URWSZGRFSA-N -1 1 337.269 2.105 20 0 EEADMM COc1ccc([C@H](NCc2ccc(CO)cc2)C(=O)[O-])c(OC)c1 ZINC001610324760 1352205507 /nfs/dbraw/zinc/20/55/07/1352205507.db2.gz LPQSGDBPEFRMER-KRWDZBQOSA-N -1 1 331.368 2.112 20 0 EEADMM C[C@@H]1C[N@@H+](CN2C(=O)C3(CCC3)[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001610392382 1352215133 /nfs/dbraw/zinc/21/51/33/1352215133.db2.gz KPCINYRANXMHAZ-BMFZPTHFSA-N -1 1 328.412 2.350 20 0 EEADMM C[C@@H]1CN(CN2C(=O)C3(CCC3)[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001610392382 1352215138 /nfs/dbraw/zinc/21/51/38/1352215138.db2.gz KPCINYRANXMHAZ-BMFZPTHFSA-N -1 1 328.412 2.350 20 0 EEADMM NC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001610642454 1352256973 /nfs/dbraw/zinc/25/69/73/1352256973.db2.gz VUOKVYQHQLHOAV-CQSZACIVSA-N -1 1 336.750 2.494 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001610684341 1352260065 /nfs/dbraw/zinc/26/00/65/1352260065.db2.gz XTFIIUODDUAATM-FZMZJTMJSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001610684341 1352260067 /nfs/dbraw/zinc/26/00/67/1352260067.db2.gz XTFIIUODDUAATM-FZMZJTMJSA-N -1 1 337.807 2.002 20 0 EEADMM CC(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001429025406 1339770126 /nfs/dbraw/zinc/77/01/26/1339770126.db2.gz QKZMVAWVUHWWAH-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM CC1(C)CC[C@H](C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)C1 ZINC001429957286 1340069086 /nfs/dbraw/zinc/06/90/86/1340069086.db2.gz VETCUFCIUFWDAW-UONOGXRCSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(CNC(=O)c2ccc([O-])cn2)c(-n2cc(Cl)cn2)n1 ZINC001616430338 1352329107 /nfs/dbraw/zinc/32/91/07/1352329107.db2.gz GURVEDWYFWMJMO-UHFFFAOYSA-N -1 1 343.774 2.260 20 0 EEADMM Cc1cocc1C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001431104573 1340450381 /nfs/dbraw/zinc/45/03/81/1340450381.db2.gz ZDKUWEATMNBTQR-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM CCCC1(C(=O)N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001432552549 1341324818 /nfs/dbraw/zinc/32/48/18/1341324818.db2.gz LOXYHGRXOBBMNB-GOSISDBHSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)[C@H](CNC(=O)CCC1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001433127311 1341508619 /nfs/dbraw/zinc/50/86/19/1341508619.db2.gz GVKZIWCIMHWVFS-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1ccc(NC(=O)CCCc2nn[n-]n2)c(OC[C@@H]2CCCO2)c1 ZINC001433668058 1341653857 /nfs/dbraw/zinc/65/38/57/1341653857.db2.gz QTEMNHLKJSTWQX-ZDUSSCGKSA-N -1 1 345.403 2.027 20 0 EEADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1N1CCOCC1=O ZINC001434399202 1341837636 /nfs/dbraw/zinc/83/76/36/1341837636.db2.gz KGQVQVNPQHLQJV-UHFFFAOYSA-N -1 1 344.342 2.455 20 0 EEADMM Cc1nn(C)cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001558968964 1342493993 /nfs/dbraw/zinc/49/39/93/1342493993.db2.gz MEDFOQTXPUCVMO-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM Cc1nn(C)cc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001558968964 1342493996 /nfs/dbraw/zinc/49/39/96/1342493996.db2.gz MEDFOQTXPUCVMO-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC001558988488 1342494665 /nfs/dbraw/zinc/49/46/65/1342494665.db2.gz SQCPUSYNPHLVSG-UHFFFAOYSA-N -1 1 339.233 2.436 20 0 EEADMM CCOC1(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000830802074 1372351406 /nfs/dbraw/zinc/35/14/06/1372351406.db2.gz QMRUOWXUMSIWHJ-ZDUSSCGKSA-N -1 1 336.354 2.005 20 0 EEADMM CC(C)C(CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)C(C)C ZINC001574062255 1343665442 /nfs/dbraw/zinc/66/54/42/1343665442.db2.gz OHWKMCOLZDERRG-UHFFFAOYSA-N -1 1 343.478 2.135 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576727239 1344053170 /nfs/dbraw/zinc/05/31/70/1344053170.db2.gz XWWCWXWGUCQWFR-LLVKDONJSA-N -1 1 349.464 2.081 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)c1ccccc1 ZINC001576976846 1344079892 /nfs/dbraw/zinc/07/98/92/1344079892.db2.gz AZDWHXXMCNHBMI-ZDUSSCGKSA-N -1 1 339.355 2.159 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)c1ccccc1 ZINC001576976846 1344079898 /nfs/dbraw/zinc/07/98/98/1344079898.db2.gz AZDWHXXMCNHBMI-ZDUSSCGKSA-N -1 1 339.355 2.159 20 0 EEADMM CCn1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001578772417 1344302716 /nfs/dbraw/zinc/30/27/16/1344302716.db2.gz QFQIQALYYNZVTD-UHFFFAOYSA-N -1 1 345.794 2.009 20 0 EEADMM CN(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001578999369 1344327891 /nfs/dbraw/zinc/32/78/91/1344327891.db2.gz ZCTCHOMKSQETDU-UHFFFAOYSA-N -1 1 346.391 2.063 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001579596805 1344398116 /nfs/dbraw/zinc/39/81/16/1344398116.db2.gz XWVASDWEZBWRFC-PXAZEXFGSA-N -1 1 343.435 2.174 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001579596805 1344398118 /nfs/dbraw/zinc/39/81/18/1344398118.db2.gz XWVASDWEZBWRFC-PXAZEXFGSA-N -1 1 343.435 2.174 20 0 EEADMM COCc1ccccc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001579835662 1344420033 /nfs/dbraw/zinc/42/00/33/1344420033.db2.gz ZZIKIVBUUVZBQT-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COCc1ccccc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001579835662 1344420036 /nfs/dbraw/zinc/42/00/36/1344420036.db2.gz ZZIKIVBUUVZBQT-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1cc(C)sc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579921550 1344432601 /nfs/dbraw/zinc/43/26/01/1344432601.db2.gz WMGJJRBXCDSIQG-UHFFFAOYSA-N -1 1 335.414 2.237 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001580050174 1344459355 /nfs/dbraw/zinc/45/93/55/1344459355.db2.gz KQURLZRCZFZQIJ-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC001580050174 1344459358 /nfs/dbraw/zinc/45/93/58/1344459358.db2.gz KQURLZRCZFZQIJ-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1ccc2c(c1)CCN2C(=O)c1ccsc1-c1nnn[n-]1 ZINC001580050007 1344459528 /nfs/dbraw/zinc/45/95/28/1344459528.db2.gz BSTRCICUMIZJAD-UHFFFAOYSA-N -1 1 327.369 2.140 20 0 EEADMM COc1ccc2c(c1)CCN2C(=O)c1ccsc1-c1nn[n-]n1 ZINC001580050007 1344459531 /nfs/dbraw/zinc/45/95/31/1344459531.db2.gz BSTRCICUMIZJAD-UHFFFAOYSA-N -1 1 327.369 2.140 20 0 EEADMM COc1ncc(NC(=O)C=CC=C(Cl)Cl)cc1-c1nn[n-]n1 ZINC001580133550 1344478302 /nfs/dbraw/zinc/47/83/02/1344478302.db2.gz OMPWLYFWAVVGSU-RQOWECAXSA-N -1 1 341.158 2.084 20 0 EEADMM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)CC(C)C)C2)c1-c1nn[n-]n1 ZINC001581697402 1344655000 /nfs/dbraw/zinc/65/50/00/1344655000.db2.gz JJEFLLBWAMSDEO-GXSJLCMTSA-N -1 1 349.464 2.079 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582472542 1344752958 /nfs/dbraw/zinc/75/29/58/1344752958.db2.gz YNSXCRYLGJUBRU-GFCCVEGCSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582472542 1344752962 /nfs/dbraw/zinc/75/29/62/1344752962.db2.gz YNSXCRYLGJUBRU-GFCCVEGCSA-N -1 1 349.398 2.188 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001588769986 1348933198 /nfs/dbraw/zinc/93/31/98/1348933198.db2.gz CCTMFLONVUPHSM-SOFGYWHQSA-N -1 1 329.751 2.285 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001588769986 1348933203 /nfs/dbraw/zinc/93/32/03/1348933203.db2.gz CCTMFLONVUPHSM-SOFGYWHQSA-N -1 1 329.751 2.285 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC001589283216 1348978547 /nfs/dbraw/zinc/97/85/47/1348978547.db2.gz LLTBKECADUWHCS-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC001589283216 1348978548 /nfs/dbraw/zinc/97/85/48/1348978548.db2.gz LLTBKECADUWHCS-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589550771 1349004177 /nfs/dbraw/zinc/00/41/77/1349004177.db2.gz PJKMXCZDLJUCJE-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589550771 1349004181 /nfs/dbraw/zinc/00/41/81/1349004181.db2.gz PJKMXCZDLJUCJE-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)CC[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589585510 1349007107 /nfs/dbraw/zinc/00/71/07/1349007107.db2.gz COMNAXNAUOMBFJ-LLVKDONJSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ncccc1[O-] ZINC001589702155 1349021662 /nfs/dbraw/zinc/02/16/62/1349021662.db2.gz UPWUOTPAEFOXBQ-UHFFFAOYSA-N -1 1 338.371 2.018 20 0 EEADMM CC(C)O[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001589739648 1349027802 /nfs/dbraw/zinc/02/78/02/1349027802.db2.gz MUFQCXIWZDWWMP-MRVPVSSYSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)O[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001589739648 1349027806 /nfs/dbraw/zinc/02/78/06/1349027806.db2.gz MUFQCXIWZDWWMP-MRVPVSSYSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)Oc1ccccc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589761089 1349032543 /nfs/dbraw/zinc/03/25/43/1349032543.db2.gz XCNYZZZRIBWUJT-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccccc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589761089 1349032546 /nfs/dbraw/zinc/03/25/46/1349032546.db2.gz XCNYZZZRIBWUJT-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589804771 1349049339 /nfs/dbraw/zinc/04/93/39/1349049339.db2.gz LTSCETXAMDSQLR-QMMMGPOBSA-N -1 1 328.298 2.113 20 0 EEADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589804771 1349049344 /nfs/dbraw/zinc/04/93/44/1349049344.db2.gz LTSCETXAMDSQLR-QMMMGPOBSA-N -1 1 328.298 2.113 20 0 EEADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC(F)CC1 ZINC001589936113 1349068854 /nfs/dbraw/zinc/06/88/54/1349068854.db2.gz FZNQXVXVUTYTIM-KPPDAEKUSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589936113 1349068863 /nfs/dbraw/zinc/06/88/63/1349068863.db2.gz FZNQXVXVUTYTIM-KPPDAEKUSA-N -1 1 333.371 2.300 20 0 EEADMM CC1(C)[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1(F)F ZINC001590076802 1349139405 /nfs/dbraw/zinc/13/94/05/1349139405.db2.gz LQKGLLLCCLLPHY-SECBINFHSA-N -1 1 342.375 2.019 20 0 EEADMM CC1(C)C[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590088424 1349147307 /nfs/dbraw/zinc/14/73/07/1349147307.db2.gz YKRCZQPZKUGQIW-MRVPVSSYSA-N -1 1 340.309 2.056 20 0 EEADMM CC1(C)Cc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)ccc2O1 ZINC001590112687 1349159313 /nfs/dbraw/zinc/15/93/13/1349159313.db2.gz ASCGYHRFQRGXSM-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM CC1(C)Cc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)ccc2O1 ZINC001590112687 1349159314 /nfs/dbraw/zinc/15/93/14/1349159314.db2.gz ASCGYHRFQRGXSM-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM C[C@H]1CC(=O)Oc2cc(OC(=O)c3ccc(-c4nn[n-]n4)o3)ccc21 ZINC001590179947 1349183413 /nfs/dbraw/zinc/18/34/13/1349183413.db2.gz KXGIWRRFAWRCTN-QMMMGPOBSA-N -1 1 340.295 2.092 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590221309 1349208017 /nfs/dbraw/zinc/20/80/17/1349208017.db2.gz UCSFMSFBXRNFJF-KOLCDFICSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590221309 1349208023 /nfs/dbraw/zinc/20/80/23/1349208023.db2.gz UCSFMSFBXRNFJF-KOLCDFICSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@H](C)C1 ZINC001590235070 1349215477 /nfs/dbraw/zinc/21/54/77/1349215477.db2.gz GCXHEILUHHKYNO-FXPVBKGRSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590239232 1349217808 /nfs/dbraw/zinc/21/78/08/1349217808.db2.gz KTIXVLUWJCUONK-IUCAKERBSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](c2ccco2)C1 ZINC001590269931 1349242147 /nfs/dbraw/zinc/24/21/47/1349242147.db2.gz IKTPZILHLWMCSY-FZMZJTMJSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](c2ccco2)C1 ZINC001590269931 1349242151 /nfs/dbraw/zinc/24/21/51/1349242151.db2.gz IKTPZILHLWMCSY-FZMZJTMJSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H](C)C1(F)F ZINC001590314196 1349260343 /nfs/dbraw/zinc/26/03/43/1349260343.db2.gz QRUKMERZAGZVIT-IUCAKERBSA-N -1 1 335.362 2.262 20 0 EEADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H](C)C1(F)F ZINC001590314196 1349260349 /nfs/dbraw/zinc/26/03/49/1349260349.db2.gz QRUKMERZAGZVIT-IUCAKERBSA-N -1 1 335.362 2.262 20 0 EEADMM C/C=C(/C)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590351127 1349278301 /nfs/dbraw/zinc/27/83/01/1349278301.db2.gz XXSUZOYOVKTORB-CLTKARDFSA-N -1 1 327.266 2.404 20 0 EEADMM CC[C@@H](CCO)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001590440218 1349325009 /nfs/dbraw/zinc/32/50/09/1349325009.db2.gz YCXNEENTBWBXCL-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM CC[C@@H](CCO)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001590440218 1349325011 /nfs/dbraw/zinc/32/50/11/1349325011.db2.gz YCXNEENTBWBXCL-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM CCC(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)(C1CC1)C1CC1 ZINC001590458382 1349335498 /nfs/dbraw/zinc/33/54/98/1349335498.db2.gz ZREWSLQHJLMRCY-UHFFFAOYSA-N -1 1 327.392 2.352 20 0 EEADMM CCC(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)(C1CC1)C1CC1 ZINC001590458382 1349335507 /nfs/dbraw/zinc/33/55/07/1349335507.db2.gz ZREWSLQHJLMRCY-UHFFFAOYSA-N -1 1 327.392 2.352 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1OC ZINC001590459030 1349335900 /nfs/dbraw/zinc/33/59/00/1349335900.db2.gz FIYIYVAMLWXKJB-LLVKDONJSA-N -1 1 327.344 2.349 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1OC ZINC001590459030 1349335907 /nfs/dbraw/zinc/33/59/07/1349335907.db2.gz FIYIYVAMLWXKJB-LLVKDONJSA-N -1 1 327.344 2.349 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](O)C(F)(F)F ZINC001590474344 1349347929 /nfs/dbraw/zinc/34/79/29/1349347929.db2.gz FLLYOFJQRLZVHZ-UCORVYFPSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](O)C(F)(F)F ZINC001590474344 1349347938 /nfs/dbraw/zinc/34/79/38/1349347938.db2.gz FLLYOFJQRLZVHZ-UCORVYFPSA-N -1 1 342.734 2.090 20 0 EEADMM CCC1(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCC1 ZINC001590498448 1349356634 /nfs/dbraw/zinc/35/66/34/1349356634.db2.gz VHHJFBUVLRTUFX-UHFFFAOYSA-N -1 1 340.309 2.343 20 0 EEADMM CC[C@H]1CCC[C@@H](Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590507310 1349361290 /nfs/dbraw/zinc/36/12/90/1349361290.db2.gz BQFKZMKYCRVASK-WDEREUQCSA-N -1 1 330.392 2.429 20 0 EEADMM CC[C@H]1CCC[C@@H](Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590507310 1349361298 /nfs/dbraw/zinc/36/12/98/1349361298.db2.gz BQFKZMKYCRVASK-WDEREUQCSA-N -1 1 330.392 2.429 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590511653 1349361842 /nfs/dbraw/zinc/36/18/42/1349361842.db2.gz OFGWNLUQWAWOGU-NHYWBVRUSA-N -1 1 345.403 2.496 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590512658 1349362794 /nfs/dbraw/zinc/36/27/94/1349362794.db2.gz WIGCCDTXKYMZJK-AAEUAGOBSA-N -1 1 330.392 2.186 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590512658 1349362799 /nfs/dbraw/zinc/36/27/99/1349362799.db2.gz WIGCCDTXKYMZJK-AAEUAGOBSA-N -1 1 330.392 2.186 20 0 EEADMM CCC[C@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590559753 1349370557 /nfs/dbraw/zinc/37/05/57/1349370557.db2.gz KRYFBJZAMUBLKK-YPMHNXCESA-N -1 1 341.375 2.104 20 0 EEADMM CCOc1cc(CCO)ccc1OCc1ccc(-c2nn[n-]n2)s1 ZINC001590827280 1349402333 /nfs/dbraw/zinc/40/23/33/1349402333.db2.gz YHYVBJHCFBJWSA-UHFFFAOYSA-N -1 1 346.412 2.441 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591605029 1349512554 /nfs/dbraw/zinc/51/25/54/1349512554.db2.gz XESVOVSJJWAILN-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591605029 1349512561 /nfs/dbraw/zinc/51/25/61/1349512561.db2.gz XESVOVSJJWAILN-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM Cc1nsc(NC(=O)c2cc(C)nc(Cl)c2)c1-c1nnn[n-]1 ZINC001591935432 1349560979 /nfs/dbraw/zinc/56/09/79/1349560979.db2.gz PTTQGKALCYQYAO-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1nsc(NC(=O)c2cc(C)nc(Cl)c2)c1-c1nn[n-]n1 ZINC001591935432 1349560987 /nfs/dbraw/zinc/56/09/87/1349560987.db2.gz PTTQGKALCYQYAO-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1cc(C)c(-c2nn[nH]n2)c(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001591944605 1349565161 /nfs/dbraw/zinc/56/51/61/1349565161.db2.gz OCNZEHOTUAXTLQ-STQMWFEESA-N -1 1 348.476 2.080 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592227516 1349612417 /nfs/dbraw/zinc/61/24/17/1349612417.db2.gz GSXSMCWNRCTAKU-UHFFFAOYSA-N -1 1 345.384 2.062 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592227516 1349612420 /nfs/dbraw/zinc/61/24/20/1349612420.db2.gz GSXSMCWNRCTAKU-UHFFFAOYSA-N -1 1 345.384 2.062 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001592225058 1349612476 /nfs/dbraw/zinc/61/24/76/1349612476.db2.gz SNVIVSZKVIZTQZ-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592429617 1349630666 /nfs/dbraw/zinc/63/06/66/1349630666.db2.gz NWXCWEGWRQMKAA-UHFFFAOYSA-N -1 1 344.375 2.140 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592429617 1349630672 /nfs/dbraw/zinc/63/06/72/1349630672.db2.gz NWXCWEGWRQMKAA-UHFFFAOYSA-N -1 1 344.375 2.140 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001592496559 1349637093 /nfs/dbraw/zinc/63/70/93/1349637093.db2.gz GQLKGQZUPYQVCS-PCUPFXIVSA-N -1 1 325.372 2.052 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001592496559 1349637094 /nfs/dbraw/zinc/63/70/94/1349637094.db2.gz GQLKGQZUPYQVCS-PCUPFXIVSA-N -1 1 325.372 2.052 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccc2c(c1)CCO2 ZINC001592504222 1349642607 /nfs/dbraw/zinc/64/26/07/1349642607.db2.gz ZIRFVXJBJGOJRW-UHFFFAOYSA-N -1 1 340.339 2.103 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccc2c(c1)CCO2 ZINC001592504222 1349642609 /nfs/dbraw/zinc/64/26/09/1349642609.db2.gz ZIRFVXJBJGOJRW-UHFFFAOYSA-N -1 1 340.339 2.103 20 0 EEADMM Clc1ccnc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)c1 ZINC001592536170 1349651443 /nfs/dbraw/zinc/65/14/43/1349651443.db2.gz IHQXIAXHEHODOQ-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Clc1sc(N2CCC[C@@H]([C@@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592541681 1349654202 /nfs/dbraw/zinc/65/42/02/1349654202.db2.gz KACWZXGPAOVGGM-RKDXNWHRSA-N -1 1 340.840 2.230 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001592613929 1349671241 /nfs/dbraw/zinc/67/12/41/1349671241.db2.gz OUWQMSGPIKRAAV-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM Fc1ccc(CC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001592648797 1349693746 /nfs/dbraw/zinc/69/37/46/1349693746.db2.gz YTYPXPCVOKQESD-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Fc1ccc(CC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001592648797 1349693749 /nfs/dbraw/zinc/69/37/49/1349693749.db2.gz YTYPXPCVOKQESD-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Fc1cccc(F)c1C1(CNc2ncncc2-c2nn[n-]n2)CCC1 ZINC001592656663 1349701781 /nfs/dbraw/zinc/70/17/81/1349701781.db2.gz IPAHWCUXVUJFLO-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)OCCc1ccccc1 ZINC001593136463 1349739431 /nfs/dbraw/zinc/73/94/31/1349739431.db2.gz NMERTTJIZDDASW-UHFFFAOYSA-N -1 1 329.385 2.397 20 0 EEADMM O=C(Nc1cnc2c(F)cccc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593258461 1349752862 /nfs/dbraw/zinc/75/28/62/1349752862.db2.gz IFUHUDOAMAYODY-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cnc2c(F)cccc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593258461 1349752864 /nfs/dbraw/zinc/75/28/64/1349752864.db2.gz IFUHUDOAMAYODY-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1C1CCC1 ZINC001593256414 1349753072 /nfs/dbraw/zinc/75/30/72/1349753072.db2.gz SYAVIFSXKMSLBX-CQSZACIVSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1C1CCC1 ZINC001593256414 1349753075 /nfs/dbraw/zinc/75/30/75/1349753075.db2.gz SYAVIFSXKMSLBX-CQSZACIVSA-N -1 1 327.392 2.448 20 0 EEADMM O=C([O-])C[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593277378 1349759506 /nfs/dbraw/zinc/75/95/06/1349759506.db2.gz WVSVPRFIMIFTNQ-CYBMUJFWSA-N -1 1 343.412 2.104 20 0 EEADMM O=C(OCCCCOc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593288104 1349763901 /nfs/dbraw/zinc/76/39/01/1349763901.db2.gz UFLYGKDSLBYGCQ-UHFFFAOYSA-N -1 1 328.328 2.476 20 0 EEADMM O=C(OCCCCOc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593288104 1349763906 /nfs/dbraw/zinc/76/39/06/1349763906.db2.gz UFLYGKDSLBYGCQ-UHFFFAOYSA-N -1 1 328.328 2.476 20 0 EEADMM O=C(OC[C@@H]1CCc2cccnc21)c1sccc1-c1nn[n-]n1 ZINC001593287412 1349764497 /nfs/dbraw/zinc/76/44/97/1349764497.db2.gz XOZFFXYFWCADIL-JTQLQIEISA-N -1 1 327.369 2.210 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1cccnc1 ZINC001593298445 1349771544 /nfs/dbraw/zinc/77/15/44/1349771544.db2.gz CBMWSGFEVHZDRL-NWDGAFQWSA-N -1 1 327.369 2.170 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(C(F)(F)F)CC1 ZINC001593360729 1349790663 /nfs/dbraw/zinc/79/06/63/1349790663.db2.gz CDDLIHTYIBDYDI-UHFFFAOYSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC001593360729 1349790668 /nfs/dbraw/zinc/79/06/68/1349790668.db2.gz CDDLIHTYIBDYDI-UHFFFAOYSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC2(CCCCC2)C1 ZINC001593371439 1349792743 /nfs/dbraw/zinc/79/27/43/1349792743.db2.gz QVJHWLVLMWQJED-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C1CCCN1c1ccc(CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001593394392 1349795787 /nfs/dbraw/zinc/79/57/87/1349795787.db2.gz HQTSWXMKOLKQKV-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=C1CCCN1c1ccc(CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001593394392 1349795792 /nfs/dbraw/zinc/79/57/92/1349795792.db2.gz HQTSWXMKOLKQKV-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nn[nH]n2)o1 ZINC001593445369 1349801396 /nfs/dbraw/zinc/80/13/96/1349801396.db2.gz KWMPFHAZSWLXSH-UHFFFAOYSA-N -1 1 331.357 2.138 20 0 EEADMM O=c1oc2ccccc2cc1COc1ccc(F)nc1-c1nn[n-]n1 ZINC001593498216 1349821131 /nfs/dbraw/zinc/82/11/31/1349821131.db2.gz JZOAYRRAMMUCOT-UHFFFAOYSA-N -1 1 339.286 2.086 20 0 EEADMM OCC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC001593529792 1349833249 /nfs/dbraw/zinc/83/32/49/1349833249.db2.gz NTOJASHZTLWZKO-ZDUSSCGKSA-N -1 1 338.415 2.404 20 0 EEADMM OCC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC001593529792 1349833251 /nfs/dbraw/zinc/83/32/51/1349833251.db2.gz NTOJASHZTLWZKO-ZDUSSCGKSA-N -1 1 338.415 2.404 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@]2(CCSC2)C1 ZINC001593544009 1349839181 /nfs/dbraw/zinc/83/91/81/1349839181.db2.gz OKTRVTOYRZIZIB-INIZCTEOSA-N -1 1 343.460 2.258 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@]2(CCSC2)C1 ZINC001593544009 1349839187 /nfs/dbraw/zinc/83/91/87/1349839187.db2.gz OKTRVTOYRZIZIB-INIZCTEOSA-N -1 1 343.460 2.258 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001593550180 1349843211 /nfs/dbraw/zinc/84/32/11/1349843211.db2.gz OBGJDABLIZFOOI-AWEZNQCLSA-N -1 1 328.420 2.295 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001593550180 1349843212 /nfs/dbraw/zinc/84/32/12/1349843212.db2.gz OBGJDABLIZFOOI-AWEZNQCLSA-N -1 1 328.420 2.295 20 0 EEADMM c1[nH]c2ccccc2c1-c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001593549676 1349843943 /nfs/dbraw/zinc/84/39/43/1349843943.db2.gz AMAWORNCXMQADJ-UHFFFAOYSA-N -1 1 330.311 2.460 20 0 EEADMM c1[nH]c2ccccc2c1-c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001593549676 1349843946 /nfs/dbraw/zinc/84/39/46/1349843946.db2.gz AMAWORNCXMQADJ-UHFFFAOYSA-N -1 1 330.311 2.460 20 0 EEADMM c1ccc(C2(CNc3cccnc3-c3nnn[n-]3)CCOCC2)cc1 ZINC001593570530 1349855313 /nfs/dbraw/zinc/85/53/13/1349855313.db2.gz FBMHLLBNNYTLRH-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc(C2(CNc3cccnc3-c3nn[n-]n3)CCOCC2)cc1 ZINC001593570530 1349855316 /nfs/dbraw/zinc/85/53/16/1349855316.db2.gz FBMHLLBNNYTLRH-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM c1csc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccc2)n1 ZINC001593571052 1349855649 /nfs/dbraw/zinc/85/56/49/1349855649.db2.gz NGZAQHABBRTVSD-CQSZACIVSA-N -1 1 335.396 2.342 20 0 EEADMM c1csc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccc2)n1 ZINC001593571052 1349855652 /nfs/dbraw/zinc/85/56/52/1349855652.db2.gz NGZAQHABBRTVSD-CQSZACIVSA-N -1 1 335.396 2.342 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1ccc(-c3nnn[n-]3)nn1)CS2 ZINC001593579928 1349860319 /nfs/dbraw/zinc/86/03/19/1349860319.db2.gz PETUTQPMSGHMHZ-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1ccc(-c3nn[n-]n3)nn1)CS2 ZINC001593579928 1349860322 /nfs/dbraw/zinc/86/03/22/1349860322.db2.gz PETUTQPMSGHMHZ-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCO[C@H](C2CCC2)C1 ZINC001593579692 1349860649 /nfs/dbraw/zinc/86/06/49/1349860649.db2.gz BAEFLWURRGFXAB-KRWDZBQOSA-N -1 1 336.399 2.420 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCO[C@H](C2CCC2)C1 ZINC001593579692 1349860654 /nfs/dbraw/zinc/86/06/54/1349860654.db2.gz BAEFLWURRGFXAB-KRWDZBQOSA-N -1 1 336.399 2.420 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001600130689 1349976212 /nfs/dbraw/zinc/97/62/12/1349976212.db2.gz PIOLUFVTECHJHU-AWEZNQCLSA-N -1 1 346.358 2.082 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC001600376120 1350034189 /nfs/dbraw/zinc/03/41/89/1350034189.db2.gz LDXROHBQLPPHCT-ZNMIVQPWSA-N -1 1 349.431 2.230 20 0 EEADMM Cc1cc(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)[nH]c1C(=O)[O-] ZINC001600435474 1350050698 /nfs/dbraw/zinc/05/06/98/1350050698.db2.gz WJFHSPMUHAAHRC-OAHLLOKOSA-N -1 1 327.384 2.225 20 0 EEADMM Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(C(=O)[O-])c1 ZINC001600451534 1350055062 /nfs/dbraw/zinc/05/50/62/1350055062.db2.gz HCBZZLXUSKHBPZ-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)cc2c1 ZINC001600489255 1350063935 /nfs/dbraw/zinc/06/39/35/1350063935.db2.gz MCPUEMUDOHZLGU-CYBMUJFWSA-N -1 1 329.400 2.097 20 0 EEADMM Cc1ccc2cc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)ccc2n1 ZINC001600497715 1350066710 /nfs/dbraw/zinc/06/67/10/1350066710.db2.gz AHPGCQPEKUMMEE-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cccc(C2=CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1C ZINC001600525163 1350073026 /nfs/dbraw/zinc/07/30/26/1350073026.db2.gz GKEXVLKSFFCDDD-GOSISDBHSA-N -1 1 342.439 2.468 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@H]1CCC[C@@H]1O ZINC001600652017 1350108188 /nfs/dbraw/zinc/10/81/88/1350108188.db2.gz SKNLJSZEWDZNJJ-TUAOUCFPSA-N -1 1 340.445 2.175 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001600785335 1350136252 /nfs/dbraw/zinc/13/62/52/1350136252.db2.gz KOZJMXJMESSWGO-VFZGTOFNSA-N -1 1 345.403 2.002 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[nH]1 ZINC001600799438 1350140075 /nfs/dbraw/zinc/14/00/75/1350140075.db2.gz QFRIOFVOIGTBMQ-VIFPVBQESA-N -1 1 334.401 2.422 20 0 EEADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC001601004486 1350187172 /nfs/dbraw/zinc/18/71/72/1350187172.db2.gz DLXKUYQIYDPORQ-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM Cn1nc(CNCc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC001601010218 1350189386 /nfs/dbraw/zinc/18/93/86/1350189386.db2.gz QPNPJMBKRRFUNX-UHFFFAOYSA-N -1 1 325.368 2.327 20 0 EEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)nc1 ZINC001601486953 1350293797 /nfs/dbraw/zinc/29/37/97/1350293797.db2.gz VCWRWCHGJBSWJH-HNNXBMFYSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCc1ncc(Br)s1 ZINC001601641165 1350326505 /nfs/dbraw/zinc/32/65/05/1350326505.db2.gz IBXFOKYRMAYUPL-YUMQZZPRSA-N -1 1 335.223 2.018 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc3ncccc3c1)C[C@@H]2C(=O)[O-] ZINC001601780542 1350363072 /nfs/dbraw/zinc/36/30/72/1350363072.db2.gz KRFCESZEHHGRSV-XAUUPUKJSA-N -1 1 340.379 2.232 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1scnc1C1CC1)C[C@H]2C(=O)[O-] ZINC001601783639 1350364119 /nfs/dbraw/zinc/36/41/19/1350364119.db2.gz XLYRGSFWLAQKMR-CSJGVYOVSA-N -1 1 336.413 2.018 20 0 EEADMM O=C([O-])[C@H]1CCC[C@@H]1NCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001601806217 1350368922 /nfs/dbraw/zinc/36/89/22/1350368922.db2.gz ABQSGKCQJAXCPY-KWQFWETISA-N -1 1 341.289 2.497 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H]2CCC[C@H]21 ZINC001601827559 1350374489 /nfs/dbraw/zinc/37/44/89/1350374489.db2.gz BJOCRGRVGZNBHX-YWPYICTPSA-N -1 1 327.384 2.411 20 0 EEADMM O=C([O-])/C=C\c1ccc(OCCN[C@H](CCO)c2ccco2)cc1 ZINC001601882666 1350390020 /nfs/dbraw/zinc/39/00/20/1350390020.db2.gz HSUDPXIDHHSVLQ-KQQSKNTNSA-N -1 1 331.368 2.470 20 0 EEADMM O=C([O-])CC1(NC(=O)c2ccn(-c3ccncc3)n2)CCCCC1 ZINC001601931607 1350399996 /nfs/dbraw/zinc/39/99/96/1350399996.db2.gz COEWAZZMWQXAAA-UHFFFAOYSA-N -1 1 328.372 2.175 20 0 EEADMM O=C([O-])C[C@]1(NCc2cc(Br)cnc2Cl)CCOC1 ZINC001601936073 1350401034 /nfs/dbraw/zinc/40/10/34/1350401034.db2.gz IGBLHITXIASPQY-GFCCVEGCSA-N -1 1 349.612 2.221 20 0 EEADMM O=C([O-])CCCN(Cc1cnc2n1CCOC2)Cc1ccccc1 ZINC001601990134 1350412287 /nfs/dbraw/zinc/41/22/87/1350412287.db2.gz RPPBHTCJAQGWMC-UHFFFAOYSA-N -1 1 329.400 2.280 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2cnc3ccc[nH]c2-3)s1 ZINC001602003535 1350415905 /nfs/dbraw/zinc/41/59/05/1350415905.db2.gz LWRWSAUTNKHIBZ-UHFFFAOYSA-N -1 1 331.357 2.074 20 0 EEADMM O=C([O-])CN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CCCC1 ZINC001602050241 1350427288 /nfs/dbraw/zinc/42/72/88/1350427288.db2.gz KDOGWZKLJUPHHF-UHFFFAOYSA-N -1 1 329.356 2.252 20 0 EEADMM O=C([O-])Cc1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)cc1 ZINC001602119875 1350443650 /nfs/dbraw/zinc/44/36/50/1350443650.db2.gz KXJKZZBKXIKUFH-UHFFFAOYSA-N -1 1 327.315 2.259 20 0 EEADMM O=C([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC001602268443 1350482076 /nfs/dbraw/zinc/48/20/76/1350482076.db2.gz ZBINUEYFLCAPFX-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)ccc1O ZINC001602297711 1350487801 /nfs/dbraw/zinc/48/78/01/1350487801.db2.gz BHFNVVSKJAVTIH-UHFFFAOYSA-N -1 1 332.337 2.373 20 0 EEADMM O=C([O-])c1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)o1 ZINC001602311627 1350491049 /nfs/dbraw/zinc/49/10/49/1350491049.db2.gz MIURWPJEZOGZBP-UHFFFAOYSA-N -1 1 337.295 2.404 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CNCc2noc3ccccc23)cc1 ZINC001602389863 1350509020 /nfs/dbraw/zinc/50/90/20/1350509020.db2.gz SJBBNOALCWOELB-CYBMUJFWSA-N -1 1 342.351 2.056 20 0 EEADMM O=C([O-])c1cccc2nc(NCc3ccc(-n4cncn4)cc3)[nH]c21 ZINC001602454042 1350522837 /nfs/dbraw/zinc/52/28/37/1350522837.db2.gz FSRYPEQYYFRDTH-UHFFFAOYSA-N -1 1 334.339 2.454 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(Cc3cc(-c4ccccc4)no3)C2)nn1 ZINC001602499067 1350532698 /nfs/dbraw/zinc/53/26/98/1350532698.db2.gz IRLMHUDSOGKJLZ-CYBMUJFWSA-N -1 1 339.355 2.078 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC001602538157 1350541357 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346.778 2.106 20 0 EEADMM COCCOc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC001605118262 1351081132 /nfs/dbraw/zinc/08/11/32/1351081132.db2.gz QOLOZYZPAMUHTP-UHFFFAOYSA-N -1 1 346.778 2.106 20 0 EEADMM CC[C@H](SCCN1CCN(c2cccc(OC)c2)CC1)C(=O)[O-] ZINC001605126008 1351082215 /nfs/dbraw/zinc/08/22/15/1351082215.db2.gz ILJBTXLIGDGEQT-INIZCTEOSA-N -1 1 338.473 2.414 20 0 EEADMM CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccn1 ZINC001605216327 1351106323 /nfs/dbraw/zinc/10/63/23/1351106323.db2.gz UYRACJZZMXTRPI-GOEBONIOSA-N -1 1 348.447 2.113 20 0 EEADMM CCCN1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001605326600 1351137547 /nfs/dbraw/zinc/13/75/47/1351137547.db2.gz YWCBTEHXPPCXBC-UHFFFAOYSA-N -1 1 330.388 2.426 20 0 EEADMM COc1cccc2c1[C@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)CC2 ZINC001605325248 1351138004 /nfs/dbraw/zinc/13/80/04/1351138004.db2.gz ONNCBQYMBXGSEB-GFCCVEGCSA-N -1 1 340.339 2.242 20 0 EEADMM COc1cccc2c1[C@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)CC2 ZINC001605325248 1351138007 /nfs/dbraw/zinc/13/80/07/1351138007.db2.gz ONNCBQYMBXGSEB-GFCCVEGCSA-N -1 1 340.339 2.242 20 0 EEADMM COc1ncc(NC(=O)c2c(C)oc(C)c2C)cc1-c1nn[n-]n1 ZINC001605346279 1351142252 /nfs/dbraw/zinc/14/22/52/1351142252.db2.gz YMCVZHQMCFPCHH-UHFFFAOYSA-N -1 1 328.332 2.041 20 0 EEADMM COc1ncc(NC(=O)N[C@H]2CCC[C@@H](C)CC2)cc1-c1nn[n-]n1 ZINC001605347066 1351143007 /nfs/dbraw/zinc/14/30/07/1351143007.db2.gz MQMAQDPMVBACQQ-MNOVXSKESA-N -1 1 345.407 2.361 20 0 EEADMM CS[C@H]1CC[C@H](N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605369667 1351145953 /nfs/dbraw/zinc/14/59/53/1351145953.db2.gz BLHMPUWVGHMVGC-UWVGGRQHSA-N -1 1 335.408 2.362 20 0 EEADMM CS[C@H]1CC[C@H](N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605369667 1351145955 /nfs/dbraw/zinc/14/59/55/1351145955.db2.gz BLHMPUWVGHMVGC-UWVGGRQHSA-N -1 1 335.408 2.362 20 0 EEADMM CSC1(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCCC1 ZINC001605368221 1351146055 /nfs/dbraw/zinc/14/60/55/1351146055.db2.gz DMNLFKHQHAMIGG-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM CSC1(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCCC1 ZINC001605368221 1351146057 /nfs/dbraw/zinc/14/60/57/1351146057.db2.gz DMNLFKHQHAMIGG-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM C[C@H]1CC[C@@](C)(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1(C)C ZINC001605443666 1351158980 /nfs/dbraw/zinc/15/89/80/1351158980.db2.gz DLQUOPKPJNGNQU-QFYYESIMSA-N -1 1 346.439 2.184 20 0 EEADMM C[C@H]1CC[C@@](C)(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1(C)C ZINC001605443666 1351158981 /nfs/dbraw/zinc/15/89/81/1351158981.db2.gz DLQUOPKPJNGNQU-QFYYESIMSA-N -1 1 346.439 2.184 20 0 EEADMM CCN1CC[C@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001605473951 1351165716 /nfs/dbraw/zinc/16/57/16/1351165716.db2.gz CBMVMVNTBPFLLK-AWEZNQCLSA-N -1 1 337.445 2.220 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001605560456 1351190748 /nfs/dbraw/zinc/19/07/48/1351190748.db2.gz USGVGDVVUTUXIP-KOLCDFICSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001605560456 1351190751 /nfs/dbraw/zinc/19/07/51/1351190751.db2.gz USGVGDVVUTUXIP-KOLCDFICSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC001605583779 1351194303 /nfs/dbraw/zinc/19/43/03/1351194303.db2.gz IIESSZPNYNICLE-ZYHUDNBSSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC001605583779 1351194306 /nfs/dbraw/zinc/19/43/06/1351194306.db2.gz IIESSZPNYNICLE-ZYHUDNBSSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC001605583521 1351194345 /nfs/dbraw/zinc/19/43/45/1351194345.db2.gz RFYLAGYRPUFXQQ-CMPLNLGQSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC001605583521 1351194347 /nfs/dbraw/zinc/19/43/47/1351194347.db2.gz RFYLAGYRPUFXQQ-CMPLNLGQSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(C)cc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605646576 1351209671 /nfs/dbraw/zinc/20/96/71/1351209671.db2.gz WZNOAENBCRMYNW-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM Cc1cc(C)cc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605646576 1351209674 /nfs/dbraw/zinc/20/96/74/1351209674.db2.gz WZNOAENBCRMYNW-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM CCc1c(NC(=O)c2cccc(C(=O)[O-])n2)[nH]nc1-c1ccncc1 ZINC001605778127 1351222576 /nfs/dbraw/zinc/22/25/76/1351222576.db2.gz XIOIOLUUXCECIA-UHFFFAOYSA-N -1 1 337.339 2.380 20 0 EEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)c1 ZINC001605862493 1351240073 /nfs/dbraw/zinc/24/00/73/1351240073.db2.gz NTNCPCMEYHGBHF-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)n1 ZINC001605865281 1351241489 /nfs/dbraw/zinc/24/14/89/1351241489.db2.gz UXYWTXMWIPHQOS-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)n1 ZINC001605865281 1351241491 /nfs/dbraw/zinc/24/14/91/1351241491.db2.gz UXYWTXMWIPHQOS-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001605878251 1351244612 /nfs/dbraw/zinc/24/46/12/1351244612.db2.gz IJXKAOLVTSSILQ-JTQLQIEISA-N -1 1 344.400 2.346 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001605878251 1351244614 /nfs/dbraw/zinc/24/46/14/1351244614.db2.gz IJXKAOLVTSSILQ-JTQLQIEISA-N -1 1 344.400 2.346 20 0 EEADMM Cc1ccc(SCCNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605884292 1351245947 /nfs/dbraw/zinc/24/59/47/1351245947.db2.gz WIBIGZHKYRCALT-UHFFFAOYSA-N -1 1 327.417 2.478 20 0 EEADMM Cc1ccc(SCCNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605884292 1351245949 /nfs/dbraw/zinc/24/59/49/1351245949.db2.gz WIBIGZHKYRCALT-UHFFFAOYSA-N -1 1 327.417 2.478 20 0 EEADMM Cc1cccc2c(C(=O)NCc3nc(-c4nnn[n-]4)cs3)coc21 ZINC001605928088 1351255747 /nfs/dbraw/zinc/25/57/47/1351255747.db2.gz VBKYOHASUHXIOA-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1cccc2c(C(=O)NCc3nc(-c4nn[n-]n4)cs3)coc21 ZINC001605928088 1351255750 /nfs/dbraw/zinc/25/57/50/1351255750.db2.gz VBKYOHASUHXIOA-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM CN(C)c1ccnc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001606062229 1351267347 /nfs/dbraw/zinc/26/73/47/1351267347.db2.gz WFUWLOCOGWWOFK-UHFFFAOYSA-N -1 1 328.372 2.096 20 0 EEADMM Cc1nnc(-c2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc2)o1 ZINC001606119353 1351273785 /nfs/dbraw/zinc/27/37/85/1351273785.db2.gz RXHSXKPPJUKIOU-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1nnc(-c2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc2)o1 ZINC001606119353 1351273787 /nfs/dbraw/zinc/27/37/87/1351273787.db2.gz RXHSXKPPJUKIOU-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Clc1sc(N2CC[C@@H]3CSC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001606201285 1351284739 /nfs/dbraw/zinc/28/47/39/1351284739.db2.gz ZGCILJCWRSNGHV-RQJHMYQMSA-N -1 1 328.854 2.166 20 0 EEADMM Fc1cccc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c1-c1nnn[n-]1 ZINC001606328776 1351293655 /nfs/dbraw/zinc/29/36/55/1351293655.db2.gz HUQAZNPKAQGNBF-ZBEGNZNMSA-N -1 1 334.351 2.113 20 0 EEADMM Fc1cccc(OC[C@@H]2CCC[C@@]3(CCOC3)O2)c1-c1nn[n-]n1 ZINC001606328776 1351293657 /nfs/dbraw/zinc/29/36/57/1351293657.db2.gz HUQAZNPKAQGNBF-ZBEGNZNMSA-N -1 1 334.351 2.113 20 0 EEADMM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1CC[C@H](C)OCc1ccccc1 ZINC001606376956 1351298093 /nfs/dbraw/zinc/29/80/93/1351298093.db2.gz XMJZEYYRTZAHFF-UAGQMJEPSA-N -1 1 349.427 2.320 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccccc1Nc1ccccc1 ZINC001606446455 1351303275 /nfs/dbraw/zinc/30/32/75/1351303275.db2.gz QKXJBEUARBIDTN-UHFFFAOYSA-N -1 1 346.354 2.078 20 0 EEADMM COC(=O)c1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001606586091 1351326423 /nfs/dbraw/zinc/32/64/23/1351326423.db2.gz ODUSKYYLUVYQIH-UHFFFAOYSA-N -1 1 330.384 2.450 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606660756 1351338763 /nfs/dbraw/zinc/33/87/63/1351338763.db2.gz PNVJCUGPZSEBJR-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606660756 1351338765 /nfs/dbraw/zinc/33/87/65/1351338765.db2.gz PNVJCUGPZSEBJR-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(C2CC2)cc1 ZINC001606844087 1351365584 /nfs/dbraw/zinc/36/55/84/1351365584.db2.gz ILUATULUZJKNSW-UHFFFAOYSA-N -1 1 326.385 2.131 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(C2CC2)cc1 ZINC001606844087 1351365590 /nfs/dbraw/zinc/36/55/90/1351365590.db2.gz ILUATULUZJKNSW-UHFFFAOYSA-N -1 1 326.385 2.131 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2ccco2)s1 ZINC001606893547 1351371107 /nfs/dbraw/zinc/37/11/07/1351371107.db2.gz TUURCYYCSGSAQC-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-c2ccco2)s1 ZINC001606893547 1351371109 /nfs/dbraw/zinc/37/11/09/1351371109.db2.gz TUURCYYCSGSAQC-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001606975087 1351389326 /nfs/dbraw/zinc/38/93/26/1351389326.db2.gz DERRNBUMFPWQDB-UHFFFAOYSA-N -1 1 348.702 2.199 20 0 EEADMM O=C(O[C@@H](c1ccccc1)C(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606987317 1351392937 /nfs/dbraw/zinc/39/29/37/1351392937.db2.gz INSAVQAZDSAFJF-LBPRGKRZSA-N -1 1 331.282 2.425 20 0 EEADMM O=C(O[C@@H](c1ccccc1)C(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606987317 1351392941 /nfs/dbraw/zinc/39/29/41/1351392941.db2.gz INSAVQAZDSAFJF-LBPRGKRZSA-N -1 1 331.282 2.425 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001607017610 1351398117 /nfs/dbraw/zinc/39/81/17/1351398117.db2.gz YYIMQMPIJLQSTI-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001607017610 1351398122 /nfs/dbraw/zinc/39/81/22/1351398122.db2.gz YYIMQMPIJLQSTI-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(c2ccncc2)CC1 ZINC001607017225 1351398620 /nfs/dbraw/zinc/39/86/20/1351398620.db2.gz QMFOOCUVCXGDPZ-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(c2ccncc2)CC1 ZINC001607017225 1351398623 /nfs/dbraw/zinc/39/86/23/1351398623.db2.gz QMFOOCUVCXGDPZ-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC1CCC1)CC(F)(F)F ZINC001607021213 1351399202 /nfs/dbraw/zinc/39/92/02/1351399202.db2.gz LWCAZOVURYOPBS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC1CCC1)CC(F)(F)F ZINC001607021213 1351399205 /nfs/dbraw/zinc/39/92/05/1351399205.db2.gz LWCAZOVURYOPBS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCCC[C@@H]1c1ccccc1 ZINC001607091209 1351413730 /nfs/dbraw/zinc/41/37/30/1351413730.db2.gz BAWKUZKPCGDVHL-MRXNPFEDSA-N -1 1 336.399 2.213 20 0 EEADMM c1ccc([C@@H]2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607128220 1351430264 /nfs/dbraw/zinc/43/02/64/1351430264.db2.gz BNJZIUZARWOYSE-CABCVRRESA-N -1 1 335.415 2.465 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@@H]1CCSC1 ZINC001607131582 1351433147 /nfs/dbraw/zinc/43/31/47/1351433147.db2.gz JEMBBXBKVUVXOV-SNVBAGLBSA-N -1 1 327.417 2.365 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@@H]1CCSC1 ZINC001607131582 1351433151 /nfs/dbraw/zinc/43/31/51/1351433151.db2.gz JEMBBXBKVUVXOV-SNVBAGLBSA-N -1 1 327.417 2.365 20 0 EEADMM COc1ccc(-c2cc(CN3CCC([C@@H](O)C(=O)[O-])CC3)on2)cc1 ZINC001607194297 1351446678 /nfs/dbraw/zinc/44/66/78/1351446678.db2.gz BJJGBJLUPXZHJH-QGZVFWFLSA-N -1 1 346.383 2.008 20 0 EEADMM COc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)cc1F ZINC001607253080 1351459137 /nfs/dbraw/zinc/45/91/37/1351459137.db2.gz AXGJYZMVFHQQEI-UHFFFAOYSA-N -1 1 337.391 2.416 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H]([C@@H]3CCCO3)C2)c(C)c1C(=O)[O-] ZINC001607484278 1351501913 /nfs/dbraw/zinc/50/19/13/1351501913.db2.gz GQEUQGDNSWDKBM-MJBXVCDLSA-N -1 1 334.416 2.402 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])c(=O)c2c1 ZINC001607833563 1351567784 /nfs/dbraw/zinc/56/77/84/1351567784.db2.gz PHUMHEKLEZSUSS-GFCCVEGCSA-N -1 1 328.368 2.067 20 0 EEADMM Cc1cccc2nc(CNC(=O)NC[C@@H](CC(=O)[O-])C3CC3)[nH]c21 ZINC001607866195 1351574944 /nfs/dbraw/zinc/57/49/44/1351574944.db2.gz LGCIBMILRLBJND-GFCCVEGCSA-N -1 1 330.388 2.171 20 0 EEADMM Cn1c(=O)oc2cc(CNCc3ccc(C(=O)[O-])cc3F)ccc21 ZINC001608077205 1351620167 /nfs/dbraw/zinc/62/01/67/1351620167.db2.gz IQTBSRPMHIPVSB-UHFFFAOYSA-N -1 1 330.315 2.259 20 0 EEADMM O=C([O-])c1cnc(CNCCCNC(=O)/C=C\c2ccccc2)s1 ZINC001608287663 1351664162 /nfs/dbraw/zinc/66/41/62/1351664162.db2.gz MMAUUDUPCSCVKE-FPLPWBNLSA-N -1 1 345.424 2.151 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(F)c2cccnc12)c1nn[n-]n1 ZINC001623444956 1352397235 /nfs/dbraw/zinc/39/72/35/1352397235.db2.gz CFLBDOIDZBHGFV-UHFFFAOYSA-N -1 1 328.351 2.332 20 0 EEADMM O=C(NCc1n[nH]cc1Br)c1ncc2ccccc2c1[O-] ZINC001627459152 1352497397 /nfs/dbraw/zinc/49/73/97/1352497397.db2.gz RCMXXKLAIOCBFM-UHFFFAOYSA-N -1 1 347.172 2.356 20 0 EEADMM O=C(NCc1cc2c([nH]c1=O)CCC2)c1ncc2ccccc2c1[O-] ZINC001640763412 1352713820 /nfs/dbraw/zinc/71/38/20/1352713820.db2.gz NILDSHMTFPDHSM-UHFFFAOYSA-N -1 1 335.363 2.460 20 0 EEADMM CSc1nc(CNC(=O)c2cc(-c3ccccc3)on2)cc(=O)[n-]1 ZINC001643835736 1352753304 /nfs/dbraw/zinc/75/33/04/1352753304.db2.gz LGGZVQPBXTVFTC-UHFFFAOYSA-N -1 1 342.380 2.489 20 0 EEADMM CC1(C(=O)[O-])CCN(Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC001645947460 1352810510 /nfs/dbraw/zinc/81/05/10/1352810510.db2.gz QNMHEJAVFJWCEY-UHFFFAOYSA-N -1 1 333.310 2.104 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001646690848 1352925768 /nfs/dbraw/zinc/92/57/68/1352925768.db2.gz URSIVFDVKKLFCF-CYBMUJFWSA-N -1 1 340.431 2.482 20 0 EEADMM CC(C)Oc1cc(Br)cc(C(=O)OCc2nn[n-]n2)c1 ZINC001646881264 1353023580 /nfs/dbraw/zinc/02/35/80/1353023580.db2.gz FHTBNMMHIOZDMY-UHFFFAOYSA-N -1 1 341.165 2.106 20 0 EEADMM CN(C)c1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)c(F)c1 ZINC001647115269 1353149537 /nfs/dbraw/zinc/14/95/37/1353149537.db2.gz MXUNDYBEWCHEAR-UHFFFAOYSA-N -1 1 333.315 2.343 20 0 EEADMM Cc1c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cnn1C1CCCC1 ZINC001647184700 1353179016 /nfs/dbraw/zinc/17/90/16/1353179016.db2.gz QWQHUFPLLGGBMS-GFCCVEGCSA-N -1 1 345.403 2.415 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC001647421324 1353270918 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CCCC(C)(C)C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372140316 1375803092 /nfs/dbraw/zinc/80/30/92/1375803092.db2.gz PCPJAWZVRUHMEX-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM CCC(CC)C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001372149363 1375810907 /nfs/dbraw/zinc/81/09/07/1375810907.db2.gz HGYAVYVKJDNYNW-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC[C@@H](CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372241918 1375879367 /nfs/dbraw/zinc/87/93/67/1375879367.db2.gz CBOGHZHSRNOTRK-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372483839 1376032475 /nfs/dbraw/zinc/03/24/75/1376032475.db2.gz DHHKGASSOIMLDT-SJCJKPOMSA-N -1 1 337.395 2.036 20 0 EEADMM O=C(N[C@H](CNC(=O)c1ncccc1[O-])C1CCCC1)C1=CCCC1 ZINC001390182219 1388494875 /nfs/dbraw/zinc/49/48/75/1388494875.db2.gz WMXPSOBBXNILBU-OAHLLOKOSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-])C1=CCCC1 ZINC001375885210 1378105827 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EEADMM CC(C)(F)C(=O)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001381115417 1381518499 /nfs/dbraw/zinc/51/84/99/1381518499.db2.gz KBEIIUOWCJRZCI-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1nc(CN(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c(C)s1 ZINC001381502180 1381627862 /nfs/dbraw/zinc/62/78/62/1381627862.db2.gz AQGFYPYAXKHBIS-JTQLQIEISA-N -1 1 334.445 2.111 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC1CCC1 ZINC001384525051 1384444020 /nfs/dbraw/zinc/44/40/20/1384444020.db2.gz OBOOKDBUGQZJCP-STQMWFEESA-N -1 1 333.432 2.381 20 0 EEADMM O=C(N[C@H](CNC(=O)C1CCCCCC1)C1CC1)c1ncccc1[O-] ZINC001385692065 1385776782 /nfs/dbraw/zinc/77/67/82/1385776782.db2.gz XNZQHISGICNJCG-OAHLLOKOSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](NC(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386463890 1386154195 /nfs/dbraw/zinc/15/41/95/1386154195.db2.gz NANIFICJKCESKX-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386612108 1386217437 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C[C@H](CNC(=O)CCc1cccs1)N(C)C(=O)c1ncccc1[O-] ZINC001424141752 1400929067 /nfs/dbraw/zinc/92/90/67/1400929067.db2.gz OQYFRDLGHMWXFI-GFCCVEGCSA-N -1 1 347.440 2.058 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CCC2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001425617073 1401672287 /nfs/dbraw/zinc/67/22/87/1401672287.db2.gz XSZLFNRSIGZZAB-UKRRQHHQSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1ccsc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001428523088 1402738209 /nfs/dbraw/zinc/73/82/09/1402738209.db2.gz FGBCMDPHRJWEJT-RYUDHWBXSA-N -1 1 347.440 2.484 20 0 EEADMM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc([O-])cc1F ZINC001433603193 1403412535 /nfs/dbraw/zinc/41/25/35/1403412535.db2.gz PXCHARSTIRIRMQ-UHFFFAOYSA-N -1 1 343.402 2.083 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2Cc3cc(F)c(F)cc3C2)c1 ZINC001434581592 1403473922 /nfs/dbraw/zinc/47/39/22/1403473922.db2.gz TUNGCLOQMQXCAG-UHFFFAOYSA-N -1 1 341.335 2.384 20 0 EEADMM CCOC(=O)c1cnc(NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001578254634 1403727813 /nfs/dbraw/zinc/72/78/13/1403727813.db2.gz ZMQRASODTASSSC-UHFFFAOYSA-N -1 1 336.402 2.174 20 0 EEADMM CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001578527334 1403767638 /nfs/dbraw/zinc/76/76/38/1403767638.db2.gz OPSKXTUGYPXHGU-SNVBAGLBSA-N -1 1 347.400 2.062 20 0 EEADMM COC(=O)c1ccc(NCc2ccc(F)c(C)c2)c(-c2nnn[n-]2)n1 ZINC001579485084 1403784754 /nfs/dbraw/zinc/78/47/54/1403784754.db2.gz OSNKEYLEFRHPEY-UHFFFAOYSA-N -1 1 342.334 2.108 20 0 EEADMM COC(=O)c1ccc(NCc2ccc(F)c(C)c2)c(-c2nn[n-]n2)n1 ZINC001579485084 1403784759 /nfs/dbraw/zinc/78/47/59/1403784759.db2.gz OSNKEYLEFRHPEY-UHFFFAOYSA-N -1 1 342.334 2.108 20 0 EEADMM COc1ncc(NC(=O)NC2CC(C(C)(C)C)C2)cc1-c1nn[n-]n1 ZINC001580136594 1403834347 /nfs/dbraw/zinc/83/43/47/1403834347.db2.gz QTJUWMPELVHRPI-UHFFFAOYSA-N -1 1 345.407 2.217 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CC3(CO2)CCCCC3)c1 ZINC001580608728 1403862350 /nfs/dbraw/zinc/86/23/50/1403862350.db2.gz IIJMSFHAIMRQLF-CYBMUJFWSA-N -1 1 329.404 2.076 20 0 EEADMM COc1cccc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591639606 1403931465 /nfs/dbraw/zinc/93/14/65/1403931465.db2.gz KJNVUGFMJFREPF-UHFFFAOYSA-N -1 1 328.303 2.371 20 0 EEADMM COc1cccc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591639606 1403931472 /nfs/dbraw/zinc/93/14/72/1403931472.db2.gz KJNVUGFMJFREPF-UHFFFAOYSA-N -1 1 328.303 2.371 20 0 EEADMM COc1cccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591638355 1403931495 /nfs/dbraw/zinc/93/14/95/1403931495.db2.gz WSGUHHZVEHXPMY-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM COc1cccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591638355 1403931510 /nfs/dbraw/zinc/93/15/10/1403931510.db2.gz WSGUHHZVEHXPMY-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM Cc1cc(C(C)(C)C)cc(C)c1Cn1cncc(-c2nn[n-]n2)c1=O ZINC001591941086 1403974108 /nfs/dbraw/zinc/97/41/08/1403974108.db2.gz QSCQPKHGZMFCIS-UHFFFAOYSA-N -1 1 338.415 2.386 20 0 EEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C2CC2)n1 ZINC001592133596 1404003784 /nfs/dbraw/zinc/00/37/84/1404003784.db2.gz NMLIDHZGRFLGTQ-UHFFFAOYSA-N -1 1 336.355 2.200 20 0 EEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C2CC2)n1 ZINC001592133596 1404003786 /nfs/dbraw/zinc/00/37/86/1404003786.db2.gz NMLIDHZGRFLGTQ-UHFFFAOYSA-N -1 1 336.355 2.200 20 0 EEADMM Cc1nsc(N[C@H]2COc3cccc(C)c3C2)c1-c1nn[n-]n1 ZINC001592244270 1404014247 /nfs/dbraw/zinc/01/42/47/1404014247.db2.gz RCRCDVIPVXMPOV-SNVBAGLBSA-N -1 1 328.401 2.356 20 0 EEADMM Cc1ccnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C1CC1 ZINC001592273468 1404016707 /nfs/dbraw/zinc/01/67/07/1404016707.db2.gz YYAVXVBZPBNGPU-UHFFFAOYSA-N -1 1 335.371 2.024 20 0 EEADMM Cc1ccnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C1CC1 ZINC001592273468 1404016710 /nfs/dbraw/zinc/01/67/10/1404016710.db2.gz YYAVXVBZPBNGPU-UHFFFAOYSA-N -1 1 335.371 2.024 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc(-c2nnn[n-]2)s1 ZINC001593030603 1404735800 /nfs/dbraw/zinc/73/58/00/1404735800.db2.gz VRSNJBSEVGQRDK-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccc(-c2nn[n-]n2)s1 ZINC001593030603 1404735803 /nfs/dbraw/zinc/73/58/03/1404735803.db2.gz VRSNJBSEVGQRDK-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593038823 1404737514 /nfs/dbraw/zinc/73/75/14/1404737514.db2.gz AICYTHKZETWIKG-AWEZNQCLSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593038823 1404737520 /nfs/dbraw/zinc/73/75/20/1404737520.db2.gz AICYTHKZETWIKG-AWEZNQCLSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@H]1CCCC2(CCC2)O1)c1csc(-c2nn[n-]n2)c1 ZINC001593032285 1404737927 /nfs/dbraw/zinc/73/79/27/1404737927.db2.gz RVMTZQTWTJWNIA-LLVKDONJSA-N -1 1 333.417 2.150 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccn(Cc3ccccc3)c2)c1-c1nn[n-]n1 ZINC001606014999 1404754583 /nfs/dbraw/zinc/75/45/83/1404754583.db2.gz WOECCJQUSZORBB-UHFFFAOYSA-N -1 1 348.370 2.000 20 0 EEADMM CN(CC(=O)[O-])C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC001606087449 1404765628 /nfs/dbraw/zinc/76/56/28/1404765628.db2.gz WBAPUMPEURBOGX-UHFFFAOYSA-N -1 1 343.261 2.132 20 0 EEADMM CN(CCc1nc(-c2ccccc2)no1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001606141793 1404767456 /nfs/dbraw/zinc/76/74/56/1404767456.db2.gz WDZHDOAUEZMPJS-HNNXBMFYSA-N -1 1 345.399 2.233 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CSc3ccccc32)c1-c1nnn[n-]1 ZINC001606149763 1404769388 /nfs/dbraw/zinc/76/93/88/1404769388.db2.gz ZBSWRSPLQFFTLQ-SECBINFHSA-N -1 1 344.425 2.460 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CSc3ccccc32)c1-c1nn[n-]n1 ZINC001606149763 1404769390 /nfs/dbraw/zinc/76/93/90/1404769390.db2.gz ZBSWRSPLQFFTLQ-SECBINFHSA-N -1 1 344.425 2.460 20 0 EEADMM FC(F)(F)c1ccc(NC[C@@H]2CCSC2)nc1-c1nnn[n-]1 ZINC001606294046 1404780574 /nfs/dbraw/zinc/78/05/74/1404780574.db2.gz YOJIPHUXWAWHEM-ZETCQYMHSA-N -1 1 330.339 2.446 20 0 EEADMM FC(F)(F)c1ccc(NC[C@@H]2CCSC2)nc1-c1nn[n-]n1 ZINC001606294046 1404780583 /nfs/dbraw/zinc/78/05/83/1404780583.db2.gz YOJIPHUXWAWHEM-ZETCQYMHSA-N -1 1 330.339 2.446 20 0 EEADMM O=C(C=Cc1ccc2c(c1)OCO2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000255505263 1405728744 /nfs/dbraw/zinc/72/87/44/1405728744.db2.gz SSGPJCQRJCLCIQ-RQOWECAXSA-N -1 1 326.234 2.204 20 0 EEADMM O=C(Cc1cc(F)ccc1F)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000361740515 1406053905 /nfs/dbraw/zinc/05/39/05/1406053905.db2.gz BXQUSCYQAYRUOB-UHFFFAOYSA-N -1 1 345.309 2.238 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001756622663 1409153191 /nfs/dbraw/zinc/15/31/91/1409153191.db2.gz GSOCDUGLAUZRCI-FQSSWDBKSA-N -1 1 343.427 2.419 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@@]1(C)CC=CCC1 ZINC001757287957 1409624312 /nfs/dbraw/zinc/62/43/12/1409624312.db2.gz JWDYIHXWIFXXRD-LIRRHRJNSA-N -1 1 343.427 2.207 20 0 EEADMM CO[C@@H](C)c1noc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001771779009 1409949342 /nfs/dbraw/zinc/94/93/42/1409949342.db2.gz ARRRGKBYLSGZRQ-YUTCNCBUSA-N -1 1 331.372 2.077 20 0 EEADMM N[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001771828602 1409960622 /nfs/dbraw/zinc/96/06/22/1409960622.db2.gz HFIWJGGXNLNXJB-GFCCVEGCSA-N -1 1 330.306 2.028 20 0 EEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(F)c(OC)cc2F)c1C ZINC001772038210 1410020600 /nfs/dbraw/zinc/02/06/00/1410020600.db2.gz WXISADOUQSDRMK-UHFFFAOYSA-N -1 1 331.344 2.368 20 0 EEADMM Cc1cnc(CN2CCC([C@H](C)NC(=O)c3ncccc3[O-])CC2)o1 ZINC000997560326 790288295 /nfs/dbraw/zinc/28/82/95/790288295.db2.gz NUXGXWHLHCUFKJ-ZDUSSCGKSA-N -1 1 344.415 2.114 20 0 EEADMM CC(C)(C)CS(=O)(=O)[N-]CC(F)(F)CNC(=O)OC(C)(C)C ZINC000799806539 758153873 /nfs/dbraw/zinc/15/38/73/758153873.db2.gz MHSXAZOKFXPWGH-UHFFFAOYSA-N -1 1 344.424 2.112 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000780513605 761256427 /nfs/dbraw/zinc/25/64/27/761256427.db2.gz TYJNMODHUYMJJE-UKRRQHHQSA-N -1 1 337.420 2.133 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncc(Cl)cn1 ZINC001105175028 769243620 /nfs/dbraw/zinc/24/36/20/769243620.db2.gz RUHBHIMFJKJELV-LLVKDONJSA-N -1 1 335.795 2.097 20 0 EEADMM O=C(N[N-]C(=O)c1cc(F)ccc1Br)NC1CC=CC1 ZINC000154970006 769854687 /nfs/dbraw/zinc/85/46/87/769854687.db2.gz YPOOHJMFLNNUNR-UHFFFAOYSA-N -1 1 342.168 2.251 20 0 EEADMM CCCn1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1=O ZINC000920246195 770646130 /nfs/dbraw/zinc/64/61/30/770646130.db2.gz YPFOHWNVPKYGBM-UHFFFAOYSA-N -1 1 328.340 2.337 20 0 EEADMM O=C(NCCN1C(=O)c2ccccc2C1=O)c1c([O-])cccc1Cl ZINC000920459642 770713212 /nfs/dbraw/zinc/71/32/12/770713212.db2.gz DJVFQDIOLYXLPV-UHFFFAOYSA-N -1 1 344.754 2.072 20 0 EEADMM CCN(C(=O)c1cccs1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942651035 782942488 /nfs/dbraw/zinc/94/24/88/782942488.db2.gz JGCKXASYUNYRNF-LBPRGKRZSA-N -1 1 345.424 2.226 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2cc(C)ccc2F)c1[O-] ZINC001027832619 773230302 /nfs/dbraw/zinc/23/03/02/773230302.db2.gz HLIFNTSZUOGQCX-AWEZNQCLSA-N -1 1 346.406 2.266 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000942757948 783146388 /nfs/dbraw/zinc/14/63/88/783146388.db2.gz JKNQERXAVWSCNS-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000080544229 774816421 /nfs/dbraw/zinc/81/64/21/774816421.db2.gz MNPOJODUIJQMFA-UHFFFAOYSA-N -1 1 340.383 2.339 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3ccc(F)c4occc43)nc2n1 ZINC001131777985 783228395 /nfs/dbraw/zinc/22/83/95/783228395.db2.gz BTPDTJFHPJIONA-UHFFFAOYSA-N -1 1 341.302 2.118 20 0 EEADMM Cc1sccc1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832347 779377455 /nfs/dbraw/zinc/37/74/55/779377455.db2.gz CVYIYBIPLPYDBS-UHFFFAOYSA-N -1 1 345.424 2.145 20 0 EEADMM O=C(c1ccoc1Cl)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832902 779378969 /nfs/dbraw/zinc/37/89/69/779378969.db2.gz PCCDOUOGNTXBEV-UHFFFAOYSA-N -1 1 349.774 2.022 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(F)(F)C(F)F ZINC001087552373 781814399 /nfs/dbraw/zinc/81/43/99/781814399.db2.gz AYTIKPVCKATGCG-VHSXEESVSA-N -1 1 349.328 2.270 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000184543345 783394121 /nfs/dbraw/zinc/39/41/21/783394121.db2.gz LUGUFEDWGCTGTK-UHFFFAOYSA-N -1 1 328.706 2.482 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCCC[C@@H](NCc3nccs3)C2)c1[O-] ZINC001088297821 783411885 /nfs/dbraw/zinc/41/18/85/783411885.db2.gz XCKHWMQDMMFCBZ-GFCCVEGCSA-N -1 1 349.460 2.055 20 0 EEADMM CCN(C(=O)[C@@H]1CCC1(C)C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942922328 783464121 /nfs/dbraw/zinc/46/41/21/783464121.db2.gz NKPWDLARHBIZGM-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000945575192 784351699 /nfs/dbraw/zinc/35/16/99/784351699.db2.gz VTCGYMAMQSJIAI-STQMWFEESA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000945609637 784496154 /nfs/dbraw/zinc/49/61/54/784496154.db2.gz MHXCVJLICKXREA-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945610945 784499748 /nfs/dbraw/zinc/49/97/48/784499748.db2.gz AZFNTPGEDUYDPS-RXAFCMNPSA-N -1 1 331.416 2.110 20 0 EEADMM O=C(c1ccc(-c2ccco2)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472326 784641260 /nfs/dbraw/zinc/64/12/60/784641260.db2.gz BIFQNLAFEFMWSP-SECBINFHSA-N -1 1 347.425 2.452 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907477260 784646589 /nfs/dbraw/zinc/64/65/89/784646589.db2.gz UNQTWPBYCICRBL-RISCZKNCSA-N -1 1 331.445 2.182 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945718671 784712846 /nfs/dbraw/zinc/71/28/46/784712846.db2.gz OLSGZQSZRQMXFN-ZIAGYGMSSA-N -1 1 331.416 2.110 20 0 EEADMM Cn1nc2c(c1C(=O)Nc1nc(Br)ccc1[O-])CCC2 ZINC000907666194 784785901 /nfs/dbraw/zinc/78/59/01/784785901.db2.gz DUFOMEUEXQVGQQ-UHFFFAOYSA-N -1 1 337.177 2.024 20 0 EEADMM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907779079 784860576 /nfs/dbraw/zinc/86/05/76/784860576.db2.gz VCOQJAUVZDXIEE-GOSISDBHSA-N -1 1 347.415 2.398 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945870519 785000865 /nfs/dbraw/zinc/00/08/65/785000865.db2.gz QUOZMHDWSVISEV-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2=O)cc1 ZINC000804135556 785216727 /nfs/dbraw/zinc/21/67/27/785216727.db2.gz GEJDKNFBPKGVKY-UHFFFAOYSA-N -1 1 346.333 2.468 20 0 EEADMM CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000908718014 785646431 /nfs/dbraw/zinc/64/64/31/785646431.db2.gz QOBLKYXOJUPKIN-LLVKDONJSA-N -1 1 340.807 2.474 20 0 EEADMM CCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000908718014 785646434 /nfs/dbraw/zinc/64/64/34/785646434.db2.gz QOBLKYXOJUPKIN-LLVKDONJSA-N -1 1 340.807 2.474 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(COCCO)cc1 ZINC000819723266 785659248 /nfs/dbraw/zinc/65/92/48/785659248.db2.gz XLPOSKVYBYDDHB-UHFFFAOYSA-N -1 1 345.399 2.375 20 0 EEADMM CN(C)[C@H](CNC(=O)N(CC(=O)[O-])C1CCCC1)c1cccs1 ZINC000908745338 785684709 /nfs/dbraw/zinc/68/47/09/785684709.db2.gz ARGVDAYOBHALSK-CYBMUJFWSA-N -1 1 339.461 2.390 20 0 EEADMM CCOC(=O)N1CCC[C@H](C(=O)n2[n-]c(=O)c3ccc(OC)cc32)C1 ZINC000819944605 785734810 /nfs/dbraw/zinc/73/48/10/785734810.db2.gz BJZVITNDQQEUHB-NSHDSACASA-N -1 1 347.371 2.259 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCS[C@@H](c3ccccc3)C2)C1 ZINC000908806392 785739814 /nfs/dbraw/zinc/73/98/14/785739814.db2.gz PGQMDSMPFFISID-JKSUJKDBSA-N -1 1 348.468 2.100 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](CCO)C(F)(F)F)cc(Cl)c1[O-] ZINC000820298784 785855947 /nfs/dbraw/zinc/85/59/47/785855947.db2.gz LQABTQKEAITSNL-JTQLQIEISA-N -1 1 341.713 2.487 20 0 EEADMM C[C@](NC(=O)c1[nH]nc2c1CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000908930041 785880514 /nfs/dbraw/zinc/88/05/14/785880514.db2.gz REZABMOXRPBANE-GOSISDBHSA-N -1 1 327.384 2.408 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)CCn2cccn2)c1 ZINC000820514874 785951232 /nfs/dbraw/zinc/95/12/32/785951232.db2.gz GZBKJQPISMSEMI-ZLOXQWCVSA-N -1 1 336.413 2.021 20 0 EEADMM Cc1cc(NC/C=C/CNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001107138993 785966475 /nfs/dbraw/zinc/96/64/75/785966475.db2.gz FHXHDEDOTMOCHH-SNAWJCMRSA-N -1 1 341.415 2.407 20 0 EEADMM CCN(C)[C@H](C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909710780 786188353 /nfs/dbraw/zinc/18/83/53/786188353.db2.gz XFJDZYWBKRTIHH-QFBILLFUSA-N -1 1 348.443 2.019 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCOC(C)(C)C2)c1 ZINC000820740661 786457589 /nfs/dbraw/zinc/45/75/89/786457589.db2.gz DDUYQSOAXPFQQE-MCMMXHMISA-N -1 1 326.414 2.304 20 0 EEADMM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cnc(C2CC2)[n-]c1=O ZINC001136380910 786463082 /nfs/dbraw/zinc/46/30/82/786463082.db2.gz GSLZTMCQQSJZLY-UHFFFAOYSA-N -1 1 335.367 2.380 20 0 EEADMM C[C@@H]1CCCN(C(=O)C=C2CCCCC2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036522008 786670452 /nfs/dbraw/zinc/67/04/52/786670452.db2.gz YNQONVHGELTSQT-HIFRSBDPSA-N -1 1 347.463 2.118 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000821322169 786679587 /nfs/dbraw/zinc/67/95/87/786679587.db2.gz LTBYSWARJRPBIP-JIQFQSSQSA-N -1 1 338.425 2.304 20 0 EEADMM CCc1ccccc1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821496007 786765814 /nfs/dbraw/zinc/76/58/14/786765814.db2.gz AIJREUHAANNMAB-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM CC(C)(NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000910560660 786900296 /nfs/dbraw/zinc/90/02/96/786900296.db2.gz PLEOJHYDGNPFRO-NSHDSACASA-N -1 1 340.370 2.113 20 0 EEADMM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)nc1C(=O)[O-] ZINC000910717045 787004453 /nfs/dbraw/zinc/00/44/53/787004453.db2.gz FOWKIAQMODVOBD-CKYFFXLPSA-N -1 1 346.412 2.340 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822228652 787082747 /nfs/dbraw/zinc/08/27/47/787082747.db2.gz BLGRQAPLIUSTCZ-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822228652 787082754 /nfs/dbraw/zinc/08/27/54/787082754.db2.gz BLGRQAPLIUSTCZ-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCN1C(=O)C(F)(F)F ZINC000910981754 787161643 /nfs/dbraw/zinc/16/16/43/787161643.db2.gz FOSGVWFLBRRVEN-SECBINFHSA-N -1 1 338.232 2.162 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000911097095 787242056 /nfs/dbraw/zinc/24/20/56/787242056.db2.gz ZMWHNDUCJYWMDS-ZDUSSCGKSA-N -1 1 333.432 2.186 20 0 EEADMM O=C([O-])c1ccnc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000911221994 787320006 /nfs/dbraw/zinc/32/00/06/787320006.db2.gz DOZJSGWFXQJUDS-MRXNPFEDSA-N -1 1 339.395 2.174 20 0 EEADMM C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000911303257 787365948 /nfs/dbraw/zinc/36/59/48/787365948.db2.gz HKSUSLPCVBSYHT-QGTPRVQTSA-N -1 1 344.455 2.440 20 0 EEADMM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000911452394 787470936 /nfs/dbraw/zinc/47/09/36/787470936.db2.gz WSWMADOPUCEPRF-CQSZACIVSA-N -1 1 340.464 2.027 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000911732832 787693768 /nfs/dbraw/zinc/69/37/68/787693768.db2.gz PJQSALNPZPJBED-KRWDZBQOSA-N -1 1 339.395 2.061 20 0 EEADMM CC(C)(CO)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000824162883 788071486 /nfs/dbraw/zinc/07/14/86/788071486.db2.gz SOBHCFJDIIOVEU-AWEZNQCLSA-N -1 1 338.415 2.476 20 0 EEADMM CC(C)(CO)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000824162883 788071493 /nfs/dbraw/zinc/07/14/93/788071493.db2.gz SOBHCFJDIIOVEU-AWEZNQCLSA-N -1 1 338.415 2.476 20 0 EEADMM CCOC(=O)c1nc([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)n[n-]1 ZINC000912363748 788140012 /nfs/dbraw/zinc/14/00/12/788140012.db2.gz QUVRQHOJHWEAFD-GFCCVEGCSA-N -1 1 330.388 2.398 20 0 EEADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)[n-]1 ZINC000912363748 788140016 /nfs/dbraw/zinc/14/00/16/788140016.db2.gz QUVRQHOJHWEAFD-GFCCVEGCSA-N -1 1 330.388 2.398 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)n1 ZINC000912363748 788140023 /nfs/dbraw/zinc/14/00/23/788140023.db2.gz QUVRQHOJHWEAFD-GFCCVEGCSA-N -1 1 330.388 2.398 20 0 EEADMM COC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(OC)c1 ZINC000912403777 788162713 /nfs/dbraw/zinc/16/27/13/788162713.db2.gz XMHFEMUTAVFLKB-OAHLLOKOSA-N -1 1 343.383 2.186 20 0 EEADMM CC[C@H](C)[C@@H](C)N(C(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CC1 ZINC000825059271 788423540 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CC(C)[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cccnc1 ZINC000913437263 788873995 /nfs/dbraw/zinc/87/39/95/788873995.db2.gz KWBXKRSOBOTDBI-HOTGVXAUSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(Cl)c1Cl ZINC000913498991 788948426 /nfs/dbraw/zinc/94/84/26/788948426.db2.gz SUUNMFSSSAPJAA-SECBINFHSA-N -1 1 342.186 2.029 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(-c3ccon3)cc2)C1 ZINC000923218075 789151237 /nfs/dbraw/zinc/15/12/37/789151237.db2.gz MBCFROFIVFRKRX-ZDUSSCGKSA-N -1 1 329.356 2.077 20 0 EEADMM CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000923527273 789719310 /nfs/dbraw/zinc/71/93/10/789719310.db2.gz CRCISJXFGICWPT-MZPVMMEZSA-N -1 1 344.411 2.259 20 0 EEADMM O=C(NC1CN([C@H]2CCc3c2c(F)ccc3F)C1)c1ncccc1[O-] ZINC001030241260 789864814 /nfs/dbraw/zinc/86/48/14/789864814.db2.gz BONRJTIFSRJPEQ-AWEZNQCLSA-N -1 1 345.349 2.167 20 0 EEADMM Cc1cnc(C)nc1N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001063737314 791625496 /nfs/dbraw/zinc/62/54/96/791625496.db2.gz PORQEKOLKYNFFL-OCCSQVGLSA-N -1 1 341.415 2.157 20 0 EEADMM COc1cc(NC(=O)c2c(CO)cnc(C)c2[O-])cc2cccnc21 ZINC001147842766 792000109 /nfs/dbraw/zinc/00/01/09/792000109.db2.gz MDGDVKSHGAAMSQ-UHFFFAOYSA-N -1 1 339.351 2.397 20 0 EEADMM O=C(C[C@H]1C=CCCC1)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992055832 792489866 /nfs/dbraw/zinc/48/98/66/792489866.db2.gz MSERQJUNCXAKAU-NFOMZHRRSA-N -1 1 343.427 2.158 20 0 EEADMM CCc1nccc(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148917154 792782588 /nfs/dbraw/zinc/78/25/88/792782588.db2.gz MRTVZDLAOZDZFD-UHFFFAOYSA-N -1 1 336.369 2.157 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1F ZINC001064395199 793024279 /nfs/dbraw/zinc/02/42/79/793024279.db2.gz HJFHEUKUXKYGIQ-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1nc(C)c(F)c(N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089273570 793934465 /nfs/dbraw/zinc/93/44/65/793934465.db2.gz YFNUQALZAZGVAZ-NXEZZACHSA-N -1 1 347.394 2.342 20 0 EEADMM O=C(c1cc(C2CC2)cnc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913745344 794212071 /nfs/dbraw/zinc/21/20/71/794212071.db2.gz ZOFMDERYKJYEPX-UHFFFAOYSA-N -1 1 332.795 2.145 20 0 EEADMM C[C@H](CCNc1ccnc(C(C)(C)C)n1)NC(=O)c1ncccc1[O-] ZINC001106296147 795360144 /nfs/dbraw/zinc/36/01/44/795360144.db2.gz IRAMUQVZNNCHRM-GFCCVEGCSA-N -1 1 343.431 2.495 20 0 EEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)oc1C ZINC000946532867 795529698 /nfs/dbraw/zinc/52/96/98/795529698.db2.gz GABACKDGLAKNHY-UHFFFAOYSA-N -1 1 343.383 2.032 20 0 EEADMM NCc1nccnc1[N-]c1nc(Cl)nc(Oc2ccccc2)n1 ZINC001171444485 796207210 /nfs/dbraw/zinc/20/72/10/796207210.db2.gz NDCYURYSMURSGW-UHFFFAOYSA-N -1 1 329.751 2.310 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001078540223 796620839 /nfs/dbraw/zinc/62/08/39/796620839.db2.gz MASDKMDMCPXLPV-BFHYXJOUSA-N -1 1 333.432 2.094 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001082024033 797082867 /nfs/dbraw/zinc/08/28/67/797082867.db2.gz GDRDIJLVCPYYAB-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1(F)CCCC1 ZINC001082024237 797082981 /nfs/dbraw/zinc/08/29/81/797082981.db2.gz ORLHIKGSPZQLER-ZDUSSCGKSA-N -1 1 349.406 2.180 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CC=CC1 ZINC001082024510 797083541 /nfs/dbraw/zinc/08/35/41/797083541.db2.gz YPCTXNWXZQYONV-AWEZNQCLSA-N -1 1 343.427 2.254 20 0 EEADMM CC1=C(C)C[C@H](C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001002086224 797577723 /nfs/dbraw/zinc/57/77/23/797577723.db2.gz ABYHFHJZUAYIJE-OAHLLOKOSA-N -1 1 343.427 2.112 20 0 EEADMM CN(C)c1nc(Nc2ccc(N3CCOCC3)cc2)c(N=O)c(=O)[n-]1 ZINC001174710465 797846183 /nfs/dbraw/zinc/84/61/83/797846183.db2.gz QBOXATRDURPGKU-UHFFFAOYSA-N -1 1 344.375 2.226 20 0 EEADMM Cn1ncc2cc(Nc3cc(S(=O)(=O)C(N)=O)ccc3[O-])ccc21 ZINC001175423913 798102938 /nfs/dbraw/zinc/10/29/38/798102938.db2.gz XMNROWXTCUVTEI-UHFFFAOYSA-N -1 1 346.368 2.289 20 0 EEADMM Cc1cc(C)n2ncc(C(=O)NCc3n[n-]c(=S)n3C(C)C)c2n1 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ZINC000736204719 578187189 /nfs/dbraw/zinc/18/71/89/578187189.db2.gz GKNXFVRAVZCPAM-LPBLVHEISA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@H]2CCO[C@H]21 ZINC000736204719 578187190 /nfs/dbraw/zinc/18/71/90/578187190.db2.gz GKNXFVRAVZCPAM-LPBLVHEISA-N -1 1 326.813 2.202 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000736205067 578187218 /nfs/dbraw/zinc/18/72/18/578187218.db2.gz MRVHPMBNFVJPGL-XJKSGUPXSA-N -1 1 348.418 2.327 20 0 EEADMM CC(C)CN1CCO[C@H](COC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736442476 578204123 /nfs/dbraw/zinc/20/41/23/578204123.db2.gz FRARXKYHHUEZPB-HNNXBMFYSA-N -1 1 336.388 2.290 20 0 EEADMM C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736593031 578213525 /nfs/dbraw/zinc/21/35/25/578213525.db2.gz MNZKYFMNHQYXOG-BFYDXBDKSA-N -1 1 344.455 2.482 20 0 EEADMM CCOC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736611829 578214969 /nfs/dbraw/zinc/21/49/69/578214969.db2.gz WAMZFKJVAJDRHN-LBPRGKRZSA-N -1 1 339.403 2.063 20 0 EEADMM CCOC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736611829 578214970 /nfs/dbraw/zinc/21/49/70/578214970.db2.gz WAMZFKJVAJDRHN-LBPRGKRZSA-N -1 1 339.403 2.063 20 0 EEADMM CCc1nn(CCCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705475 578219232 /nfs/dbraw/zinc/21/92/32/578219232.db2.gz IYMQNPPXHQBCKM-UHFFFAOYSA-N -1 1 338.415 2.181 20 0 EEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736717385 578219976 /nfs/dbraw/zinc/21/99/76/578219976.db2.gz NGHXHTWCAXQNLA-GFCCVEGCSA-N -1 1 348.424 2.225 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000736718697 578219979 /nfs/dbraw/zinc/21/99/79/578219979.db2.gz UUSLMQJCCZEQPQ-NVXWUHKLSA-N -1 1 348.443 2.162 20 0 EEADMM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CN(C)C ZINC000736724156 578220298 /nfs/dbraw/zinc/22/02/98/578220298.db2.gz JUCQQKHKTULYIJ-LBPRGKRZSA-N -1 1 331.372 2.024 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC000736965502 578231569 /nfs/dbraw/zinc/23/15/69/578231569.db2.gz VDXASOKSMJBLJK-HNNXBMFYSA-N -1 1 330.331 2.460 20 0 EEADMM CCCOc1ccc(CNC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737030766 578233930 /nfs/dbraw/zinc/23/39/30/578233930.db2.gz GEMAQHWIHVWCQY-UHFFFAOYSA-N -1 1 348.443 2.469 20 0 EEADMM CCCn1nccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737051352 578235326 /nfs/dbraw/zinc/23/53/26/578235326.db2.gz RTXOCDIKLCYZOQ-UHFFFAOYSA-N -1 1 327.362 2.002 20 0 EEADMM COc1ccc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737077785 578236761 /nfs/dbraw/zinc/23/67/61/578236761.db2.gz YMXHWHHRQRUQHN-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737077785 578236762 /nfs/dbraw/zinc/23/67/62/578236762.db2.gz YMXHWHHRQRUQHN-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)c1ccco1 ZINC000737085260 578237264 /nfs/dbraw/zinc/23/72/64/578237264.db2.gz ITJBPXNRYIHOBF-JSGCOSHPSA-N -1 1 325.409 2.071 20 0 EEADMM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737345720 578251720 /nfs/dbraw/zinc/25/17/20/578251720.db2.gz VZLVRLPIPSBMKK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737345720 578251721 /nfs/dbraw/zinc/25/17/21/578251721.db2.gz VZLVRLPIPSBMKK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421432 578256690 /nfs/dbraw/zinc/25/66/90/578256690.db2.gz IMKAYAJPCGPKGP-CQSZACIVSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421432 578256691 /nfs/dbraw/zinc/25/66/91/578256691.db2.gz IMKAYAJPCGPKGP-CQSZACIVSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1nc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2s1 ZINC000737489146 578260465 /nfs/dbraw/zinc/26/04/65/578260465.db2.gz WMQGMRVATMVQNI-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2s1 ZINC000737489146 578260466 /nfs/dbraw/zinc/26/04/66/578260466.db2.gz WMQGMRVATMVQNI-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM CN1CCC[C@H]1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737523693 578262459 /nfs/dbraw/zinc/26/24/59/578262459.db2.gz UMQHJVGPSIYKBG-MSOLQXFVSA-N -1 1 340.423 2.294 20 0 EEADMM Cc1oc(NC(=O)COC(=O)/C=C\C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737551984 578263767 /nfs/dbraw/zinc/26/37/67/578263767.db2.gz MPDBSMCAIAYHAH-SREVYHEPSA-N -1 1 347.375 2.161 20 0 EEADMM ClC1(Cl)C[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737560644 578264148 /nfs/dbraw/zinc/26/41/48/578264148.db2.gz BEUQUOIKCCJETF-SSDOTTSWSA-N -1 1 336.186 2.416 20 0 EEADMM ClC1(Cl)C[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737560644 578264149 /nfs/dbraw/zinc/26/41/49/578264149.db2.gz BEUQUOIKCCJETF-SSDOTTSWSA-N -1 1 336.186 2.416 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026402 578276978 /nfs/dbraw/zinc/27/69/78/578276978.db2.gz RFIMNXAHCQHWDJ-VHSXEESVSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026402 578276979 /nfs/dbraw/zinc/27/69/79/578276979.db2.gz RFIMNXAHCQHWDJ-VHSXEESVSA-N -1 1 340.309 2.113 20 0 EEADMM CC(C)[C@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000817977726 597109120 /nfs/dbraw/zinc/10/91/20/597109120.db2.gz ZYOFXMWTBGOJPQ-LSDHHAIUSA-N -1 1 347.440 2.048 20 0 EEADMM Cn1cnnc1-c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822703653 607310079 /nfs/dbraw/zinc/31/00/79/607310079.db2.gz ALYKUNPEKWLRLI-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1ccccc1Cn1cncn1 ZINC000823787375 607314606 /nfs/dbraw/zinc/31/46/06/607314606.db2.gz LWBKAGWNRVDHEU-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM Cc1c(NCc2ccc(-c3nnn[n-]3)o2)cccc1N1CCOC1=O ZINC000822121862 607318693 /nfs/dbraw/zinc/31/86/93/607318693.db2.gz HSXVLVSORJGFJA-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM Cc1c(NCc2ccc(-c3nn[n-]n3)o2)cccc1N1CCOC1=O ZINC000822121862 607318694 /nfs/dbraw/zinc/31/86/94/607318694.db2.gz HSXVLVSORJGFJA-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823299440 599352805 /nfs/dbraw/zinc/35/28/05/599352805.db2.gz XIMGQYRTHJYMCC-UHFFFAOYSA-N -1 1 338.375 2.285 20 0 EEADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823299440 599352808 /nfs/dbraw/zinc/35/28/08/599352808.db2.gz XIMGQYRTHJYMCC-UHFFFAOYSA-N -1 1 338.375 2.285 20 0 EEADMM CCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCOCC1 ZINC000820962277 599688926 /nfs/dbraw/zinc/68/89/26/599688926.db2.gz MLIPKIAPGUXVIL-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM CCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCOCC1 ZINC000820962277 599688927 /nfs/dbraw/zinc/68/89/27/599688927.db2.gz MLIPKIAPGUXVIL-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM FC(F)(F)C1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000822714090 599689257 /nfs/dbraw/zinc/68/92/57/599689257.db2.gz GDZKGWFOHHGJAN-UHFFFAOYSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)C1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000822714090 599689258 /nfs/dbraw/zinc/68/92/58/599689258.db2.gz GDZKGWFOHHGJAN-UHFFFAOYSA-N -1 1 327.314 2.437 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828899760 601100394 /nfs/dbraw/zinc/10/03/94/601100394.db2.gz AISMVEDZRXEIOS-RDJZCZTQSA-N -1 1 332.444 2.263 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000827369465 601123545 /nfs/dbraw/zinc/12/35/45/601123545.db2.gz YXSHPBKRKLTSDH-JTQLQIEISA-N -1 1 343.786 2.492 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000827368580 601129064 /nfs/dbraw/zinc/12/90/64/601129064.db2.gz GWZLBBZOROHDJY-JTQLQIEISA-N -1 1 343.786 2.492 20 0 EEADMM CN(C)[C@H](CNC(=O)NCC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000830581978 601365849 /nfs/dbraw/zinc/36/58/49/601365849.db2.gz UPFRHNMDXOJONG-GFCCVEGCSA-N -1 1 339.461 2.295 20 0 EEADMM CCOC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829989664 601377976 /nfs/dbraw/zinc/37/79/76/601377976.db2.gz JCDXJWHKZBHMIB-KGLIPLIRSA-N -1 1 334.416 2.379 20 0 EEADMM O=C([O-])c1nn(CN2CCC[C@@H](n3ccnc3)C2)c2ccccc21 ZINC000833346331 601400955 /nfs/dbraw/zinc/40/09/55/601400955.db2.gz IDDLNQMVBFBSRV-CYBMUJFWSA-N -1 1 325.372 2.226 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000833174809 601439392 /nfs/dbraw/zinc/43/93/92/601439392.db2.gz JVXGHQAYXZIKCZ-OAHLLOKOSA-N -1 1 339.754 2.431 20 0 EEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCOc1cccc(C(=O)[O-])c1 ZINC000829143412 601449876 /nfs/dbraw/zinc/44/98/76/601449876.db2.gz ZMJPTKJZWVMFOR-SJORKVTESA-N -1 1 348.443 2.485 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000831527291 601539329 /nfs/dbraw/zinc/53/93/29/601539329.db2.gz VBEZQYWUQDKQSY-KSSFIOAISA-N -1 1 334.416 2.459 20 0 EEADMM Cc1cc(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])[nH]n1 ZINC000832883020 601677820 /nfs/dbraw/zinc/67/78/20/601677820.db2.gz GCSLQPOTVICELJ-UHFFFAOYSA-N -1 1 329.381 2.490 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccnc(-c2nnn[n-]2)c1)CC3 ZINC000826375999 607520703 /nfs/dbraw/zinc/52/07/03/607520703.db2.gz KGPORVZXTOIEMG-UHFFFAOYSA-N -1 1 349.373 2.440 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(Cc1ccnc(-c2nn[n-]n2)c1)CC3 ZINC000826375999 607520704 /nfs/dbraw/zinc/52/07/04/607520704.db2.gz KGPORVZXTOIEMG-UHFFFAOYSA-N -1 1 349.373 2.440 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000825902919 601845727 /nfs/dbraw/zinc/84/57/27/601845727.db2.gz JLQWWLNQQAPRQT-UHFFFAOYSA-N -1 1 347.415 2.160 20 0 EEADMM Cc1ccc(O)c(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832952894 601863636 /nfs/dbraw/zinc/86/36/36/601863636.db2.gz GWMFJMKZZRVEKZ-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM O=C([O-])c1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000833338280 601931214 /nfs/dbraw/zinc/93/12/14/601931214.db2.gz PKKJGEZCBFXHFF-UHFFFAOYSA-N -1 1 330.363 2.026 20 0 EEADMM COC[C@H](C)n1c(C)cc(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000831651386 601943069 /nfs/dbraw/zinc/94/30/69/601943069.db2.gz XSDMGFFOWOGFIH-SCLBCKFNSA-N -1 1 336.432 2.292 20 0 EEADMM COCCn1c(C)c(C)nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826163957 607538441 /nfs/dbraw/zinc/53/84/41/607538441.db2.gz SHTBTGSQBQCURP-UHFFFAOYSA-N -1 1 345.432 2.014 20 0 EEADMM COCCn1c(C)c(C)nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826163957 607538442 /nfs/dbraw/zinc/53/84/42/607538442.db2.gz SHTBTGSQBQCURP-UHFFFAOYSA-N -1 1 345.432 2.014 20 0 EEADMM CC(C)C(=O)Nc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000824184964 607546589 /nfs/dbraw/zinc/54/65/89/607546589.db2.gz OUMVQAGYAGNRFL-UHFFFAOYSA-N -1 1 337.387 2.468 20 0 EEADMM CC(C)C(=O)Nc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000824184964 607546593 /nfs/dbraw/zinc/54/65/93/607546593.db2.gz OUMVQAGYAGNRFL-UHFFFAOYSA-N -1 1 337.387 2.468 20 0 EEADMM O=C([O-])c1nn(CN2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000833346096 602204359 /nfs/dbraw/zinc/20/43/59/602204359.db2.gz FDRVTFXYNUROHK-UGSOOPFHSA-N -1 1 329.400 2.319 20 0 EEADMM Fc1cccnc1OCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826378504 607563686 /nfs/dbraw/zinc/56/36/86/607563686.db2.gz NMVFXPKONBXIBX-UHFFFAOYSA-N -1 1 341.759 2.002 20 0 EEADMM Fc1cccnc1OCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826378504 607563687 /nfs/dbraw/zinc/56/36/87/607563687.db2.gz NMVFXPKONBXIBX-UHFFFAOYSA-N -1 1 341.759 2.002 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)Cc1ccccc1 ZINC000824656256 607564401 /nfs/dbraw/zinc/56/44/01/607564401.db2.gz JVSTXQUERUBZTP-GXFFZTMASA-N -1 1 344.806 2.319 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)Cc1ccccc1 ZINC000824656256 607564402 /nfs/dbraw/zinc/56/44/02/607564402.db2.gz JVSTXQUERUBZTP-GXFFZTMASA-N -1 1 344.806 2.319 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000832917570 604497538 /nfs/dbraw/zinc/49/75/38/604497538.db2.gz YYGFPMDQLUVNEA-DNVCBOLYSA-N -1 1 346.427 2.259 20 0 EEADMM CC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833394351 604631702 /nfs/dbraw/zinc/63/17/02/604631702.db2.gz QLSKNONYDGBBJL-RDJZCZTQSA-N -1 1 325.368 2.295 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000833771130 604763107 /nfs/dbraw/zinc/76/31/07/604763107.db2.gz WEHUIEYSSKHTEX-KRWDZBQOSA-N -1 1 336.407 2.083 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000833503610 604790213 /nfs/dbraw/zinc/79/02/13/604790213.db2.gz FEXSUZFXBJVCFH-HNNXBMFYSA-N -1 1 337.420 2.408 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000828580225 604790691 /nfs/dbraw/zinc/79/06/91/604790691.db2.gz DHAAMRMXQOOQQH-UHFFFAOYSA-N -1 1 336.369 2.415 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)nc1)c1cccnc1 ZINC000833170534 604993789 /nfs/dbraw/zinc/99/37/89/604993789.db2.gz XGPZELFJHQTFMU-ZDUSSCGKSA-N -1 1 341.289 2.333 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000833454745 605102059 /nfs/dbraw/zinc/10/20/59/605102059.db2.gz OUMNUBAOKOOPIK-UHFFFAOYSA-N -1 1 333.432 2.053 20 0 EEADMM CCOc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1C ZINC000833661265 605109839 /nfs/dbraw/zinc/10/98/39/605109839.db2.gz NJKMTTDTQFPHIA-CQSZACIVSA-N -1 1 334.416 2.015 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](c1ccccc1)C1CC1 ZINC000833625085 605162534 /nfs/dbraw/zinc/16/25/34/605162534.db2.gz WDAATQWKXLOKHP-RDTXWAMCSA-N -1 1 330.428 2.188 20 0 EEADMM CCOc1ccc(C(C)=O)cc1CN1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833664349 605192613 /nfs/dbraw/zinc/19/26/13/605192613.db2.gz SYMZTKPHPMWMEH-CQSZACIVSA-N -1 1 348.443 2.269 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](c2cccc(C)c2)C1)C(=O)[O-] ZINC000833639911 605425552 /nfs/dbraw/zinc/42/55/52/605425552.db2.gz RRDFAWSLWCMZTP-YXJHDRRASA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000822351206 606139242 /nfs/dbraw/zinc/13/92/42/606139242.db2.gz LRCIWKYXWMBORF-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000822351206 606139241 /nfs/dbraw/zinc/13/92/41/606139241.db2.gz LRCIWKYXWMBORF-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822352409 606139343 /nfs/dbraw/zinc/13/93/43/606139343.db2.gz ZAQBUTBQKOJTES-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822352409 606139344 /nfs/dbraw/zinc/13/93/44/606139344.db2.gz ZAQBUTBQKOJTES-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821034675 606169471 /nfs/dbraw/zinc/16/94/71/606169471.db2.gz RCKYHNZZWLOAEP-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821034675 606169472 /nfs/dbraw/zinc/16/94/72/606169472.db2.gz RCKYHNZZWLOAEP-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CCCc1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821143361 606296411 /nfs/dbraw/zinc/29/64/11/606296411.db2.gz SQVWPGMZMSPEPB-UHFFFAOYSA-N -1 1 330.373 2.234 20 0 EEADMM O=C(CCc1cccc(F)c1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983767 606519360 /nfs/dbraw/zinc/51/93/60/606519360.db2.gz UEKGPMMVPAFAEU-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(CCc1cccc(F)c1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983767 606519362 /nfs/dbraw/zinc/51/93/62/606519362.db2.gz UEKGPMMVPAFAEU-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704972 606525938 /nfs/dbraw/zinc/52/59/38/606525938.db2.gz QWNTYIOWPTYAOW-QWRGUYRKSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704972 606525939 /nfs/dbraw/zinc/52/59/39/606525939.db2.gz QWNTYIOWPTYAOW-QWRGUYRKSA-N -1 1 335.433 2.253 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822341031 606542934 /nfs/dbraw/zinc/54/29/34/606542934.db2.gz RHYMCFFOHHAVCR-NSHDSACASA-N -1 1 341.396 2.490 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822341031 606542935 /nfs/dbraw/zinc/54/29/35/606542935.db2.gz RHYMCFFOHHAVCR-NSHDSACASA-N -1 1 341.396 2.490 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820635240 606572350 /nfs/dbraw/zinc/57/23/50/606572350.db2.gz KXLIHRFPJSJDDT-BBRMVZONSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820635240 606572352 /nfs/dbraw/zinc/57/23/52/606572352.db2.gz KXLIHRFPJSJDDT-BBRMVZONSA-N -1 1 325.397 2.388 20 0 EEADMM CC(C)(C)c1cnc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000819958391 606580383 /nfs/dbraw/zinc/58/03/83/606580383.db2.gz JNFVYJIIZCTVOG-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)(C)c1cnc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000819958391 606580384 /nfs/dbraw/zinc/58/03/84/606580384.db2.gz JNFVYJIIZCTVOG-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CCOc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000821431579 606739162 /nfs/dbraw/zinc/73/91/62/606739162.db2.gz WIZAWKSANDUFPU-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCOc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000821431579 606739164 /nfs/dbraw/zinc/73/91/64/606739164.db2.gz WIZAWKSANDUFPU-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820234584 606823465 /nfs/dbraw/zinc/82/34/65/606823465.db2.gz OMEIDALFGZECHM-PWSUYJOCSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820234584 606823466 /nfs/dbraw/zinc/82/34/66/606823466.db2.gz OMEIDALFGZECHM-PWSUYJOCSA-N -1 1 343.412 2.170 20 0 EEADMM CCC(CC)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000820893822 607090953 /nfs/dbraw/zinc/09/09/53/607090953.db2.gz WSDCVNIGTMOIOH-UHFFFAOYSA-N -1 1 349.391 2.385 20 0 EEADMM CCCC(O)(CCC)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821021284 607109703 /nfs/dbraw/zinc/10/97/03/607109703.db2.gz MWAKUIIXEVCGSP-UHFFFAOYSA-N -1 1 333.392 2.232 20 0 EEADMM OCCCN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823721699 607129541 /nfs/dbraw/zinc/12/95/41/607129541.db2.gz HLZAOXRAJIMPLX-UHFFFAOYSA-N -1 1 344.806 2.304 20 0 EEADMM OCCCN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823721699 607129543 /nfs/dbraw/zinc/12/95/43/607129543.db2.gz HLZAOXRAJIMPLX-UHFFFAOYSA-N -1 1 344.806 2.304 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154728 607166973 /nfs/dbraw/zinc/16/69/73/607166973.db2.gz IOZBKHJARCPVSD-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154728 607166974 /nfs/dbraw/zinc/16/69/74/607166974.db2.gz IOZBKHJARCPVSD-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM CN(Cc1nccn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825998788 607900840 /nfs/dbraw/zinc/90/08/40/607900840.db2.gz CYSFFNHNIBWEQT-UHFFFAOYSA-N -1 1 346.398 2.143 20 0 EEADMM CN(Cc1nccn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825998788 607900841 /nfs/dbraw/zinc/90/08/41/607900841.db2.gz CYSFFNHNIBWEQT-UHFFFAOYSA-N -1 1 346.398 2.143 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523136 607990365 /nfs/dbraw/zinc/99/03/65/607990365.db2.gz BPFDWUDSJDUYTB-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523136 607990366 /nfs/dbraw/zinc/99/03/66/607990366.db2.gz BPFDWUDSJDUYTB-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM COc1c(F)ccc(F)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826166981 607999210 /nfs/dbraw/zinc/99/92/10/607999210.db2.gz KJBDWGCKXYZLCU-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826507592 608183295 /nfs/dbraw/zinc/18/32/95/608183295.db2.gz RNENWZURGSEWPH-SCZZXKLOSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826507592 608183296 /nfs/dbraw/zinc/18/32/96/608183296.db2.gz RNENWZURGSEWPH-SCZZXKLOSA-N -1 1 334.792 2.047 20 0 EEADMM Clc1nsc(Oc2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826354526 608184470 /nfs/dbraw/zinc/18/44/70/608184470.db2.gz ITTRWFNUNVIBJU-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826218659 608438572 /nfs/dbraw/zinc/43/85/72/608438572.db2.gz IEMVEAUOLHOGBB-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826218659 608438574 /nfs/dbraw/zinc/43/85/74/608438574.db2.gz IEMVEAUOLHOGBB-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826306622 609502917 /nfs/dbraw/zinc/50/29/17/609502917.db2.gz GGHXUXUCKZJYFH-UHFFFAOYSA-N -1 1 332.367 2.110 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826306622 609502919 /nfs/dbraw/zinc/50/29/19/609502919.db2.gz GGHXUXUCKZJYFH-UHFFFAOYSA-N -1 1 332.367 2.110 20 0 EEADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC000891052539 675992189 /nfs/dbraw/zinc/99/21/89/675992189.db2.gz JBQILILOKAJIRV-CMPLNLGQSA-N -1 1 326.190 2.310 20 0 EEADMM O=C([N-]NC(=O)c1cc(F)ccc1F)c1cc(-c2ccccc2)[nH]n1 ZINC000022602726 676730138 /nfs/dbraw/zinc/73/01/38/676730138.db2.gz XUOFGORXJHNTJD-UHFFFAOYSA-N -1 1 342.305 2.430 20 0 EEADMM O=C([N-]NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cc(F)ccc1F ZINC000022602726 676730139 /nfs/dbraw/zinc/73/01/39/676730139.db2.gz XUOFGORXJHNTJD-UHFFFAOYSA-N -1 1 342.305 2.430 20 0 EEADMM CCn1nc(C)c(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)n1 ZINC000891869585 676874616 /nfs/dbraw/zinc/87/46/16/676874616.db2.gz YFAOPZXGMUJVDI-UHFFFAOYSA-N -1 1 346.391 2.440 20 0 EEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000934175899 677967078 /nfs/dbraw/zinc/96/70/78/677967078.db2.gz YIFMBSGPEFTECT-SECBINFHSA-N -1 1 347.667 2.480 20 0 EEADMM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000077404471 678669345 /nfs/dbraw/zinc/66/93/45/678669345.db2.gz CVYQJXSTBOKKIJ-UHFFFAOYSA-N -1 1 327.837 2.211 20 0 EEADMM CN1CC[C@@H](CNC(=O)CCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262316984 685326158 /nfs/dbraw/zinc/32/61/58/685326158.db2.gz USZZQASIIYPSFI-ZBEGNZNMSA-N -1 1 342.798 2.453 20 0 EEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000909536593 685334053 /nfs/dbraw/zinc/33/40/53/685334053.db2.gz QLSFTPYCTSSRNG-HUUCEWRRSA-N -1 1 341.411 2.107 20 0 EEADMM CN(C(=O)C1(C2CC2)CCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217373 681697715 /nfs/dbraw/zinc/69/77/15/681697715.db2.gz UWHPZYNHWDEUGD-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)C1=CCCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219855 681723886 /nfs/dbraw/zinc/72/38/86/681723886.db2.gz JWDKJUBDTDPEOP-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1nc(CC(C)C)sc1C(=O)NCc1n[n-]c(=S)n1C ZINC000066625531 681739765 /nfs/dbraw/zinc/73/97/65/681739765.db2.gz RROWWQHRIIDXEV-UHFFFAOYSA-N -1 1 325.463 2.371 20 0 EEADMM COc1ccc(COCC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000066638584 681783054 /nfs/dbraw/zinc/78/30/54/681783054.db2.gz UWYKDRXONIRVJE-UHFFFAOYSA-N -1 1 348.428 2.117 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000261773847 682144973 /nfs/dbraw/zinc/14/49/73/682144973.db2.gz XEMTVPCTDZCMGK-IOASZLSFSA-N -1 1 325.368 2.402 20 0 EEADMM O=C(CC1CCC1)N1CCCC[C@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214697 682227081 /nfs/dbraw/zinc/22/70/81/682227081.db2.gz DELMXHNHLSSDEZ-GJZGRUSLSA-N -1 1 347.463 2.046 20 0 EEADMM O=C(CC1CCC1)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983571021 682877247 /nfs/dbraw/zinc/87/72/47/682877247.db2.gz KHYUIPZKDPRTFW-ZIAGYGMSSA-N -1 1 331.416 2.135 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccoc2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983611489 682962056 /nfs/dbraw/zinc/96/20/56/682962056.db2.gz BHLUANXCXCGLFH-OCCSQVGLSA-N -1 1 343.383 2.051 20 0 EEADMM O=C(N[C@H]1C[C@H](Nc2nc3c(cccc3F)o2)C1)c1ncccc1[O-] ZINC001059200934 683198689 /nfs/dbraw/zinc/19/86/89/683198689.db2.gz IZLOPFIARLYKRC-MGCOHNPYSA-N -1 1 342.330 2.440 20 0 EEADMM COCc1nc(NCCOc2ccc(C(F)(F)F)cn2)cc(=O)[n-]1 ZINC000892920080 683199313 /nfs/dbraw/zinc/19/93/13/683199313.db2.gz RYXXLFWELMFRPQ-UHFFFAOYSA-N -1 1 344.293 2.233 20 0 EEADMM Cc1nn(C)cc1[C@@H](C)NCc1ncc(Br)cc1[O-] ZINC000892936527 683224121 /nfs/dbraw/zinc/22/41/21/683224121.db2.gz PDCFVUDCERUUHC-MRVPVSSYSA-N -1 1 325.210 2.442 20 0 EEADMM CC1(CC(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000937435504 683489473 /nfs/dbraw/zinc/48/94/73/683489473.db2.gz JFLXKTZPGPDEHK-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC(=O)N[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H]1C ZINC000992929545 683649227 /nfs/dbraw/zinc/64/92/27/683649227.db2.gz OHPCQBWOHTYNCL-GUYCJALGSA-N -1 1 340.427 2.338 20 0 EEADMM CCc1nc([C@@H](C)NCc2ncc(Br)cc2[O-])n[nH]1 ZINC000893268199 684413659 /nfs/dbraw/zinc/41/36/59/684413659.db2.gz SNIPCNGPVUOTCM-SSDOTTSWSA-N -1 1 326.198 2.081 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC000984354005 684457533 /nfs/dbraw/zinc/45/75/33/684457533.db2.gz PSLRKFFNXHWRAV-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM O=C([O-])c1csc(NC(=O)C2CCC(N3CCOCC3)CC2)c1 ZINC000909514623 684476514 /nfs/dbraw/zinc/47/65/14/684476514.db2.gz DZMCNAMHEDRCRR-UHFFFAOYSA-N -1 1 338.429 2.276 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000984473481 684583357 /nfs/dbraw/zinc/58/33/57/684583357.db2.gz CEQNJVUZECKAIC-PJIJBLCYSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000974433540 684912488 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20 0 EEADMM O=C([O-])C1(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000909641645 687318911 /nfs/dbraw/zinc/31/89/11/687318911.db2.gz CKBQQTLNQIUEIB-UHFFFAOYSA-N -1 1 325.777 2.386 20 0 EEADMM Cc1cccc2ncnc(N[C@H]3C[C@@H](NC(=O)c4ncccc4[O-])C3)c12 ZINC001059613337 687401839 /nfs/dbraw/zinc/40/18/39/687401839.db2.gz AKCAWFCBMVPQHG-BETUJISGSA-N -1 1 349.394 2.412 20 0 EEADMM CC(C)c1nccc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059613422 687402334 /nfs/dbraw/zinc/40/23/34/687402334.db2.gz GLDNYXVTJJGSAI-TXEJJXNPSA-N -1 1 327.388 2.074 20 0 EEADMM C[C@H]1CC[C@@](C)(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)C1(C)C ZINC000990976671 694141304 /nfs/dbraw/zinc/14/13/04/694141304.db2.gz HDZLHEJTBGYGKT-BUXKBTBVSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1coc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])c1 ZINC000976568198 687847062 /nfs/dbraw/zinc/84/70/62/687847062.db2.gz UMNODTSOWCZCTH-CHWSQXEVSA-N -1 1 343.383 2.160 20 0 EEADMM COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)n[nH]2)cc1 ZINC000263310102 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C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945146015 1193401429 /nfs/dbraw/zinc/40/14/29/1193401429.db2.gz UDTZIKMLMGRYCB-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(C[C@H]1CC=CCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088362518 1186671758 /nfs/dbraw/zinc/67/17/58/1186671758.db2.gz UFQHQWWHPGPQGP-GJZGRUSLSA-N -1 1 347.463 2.118 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)c2ncccc2[O-])cc1F ZINC001076248304 1188802828 /nfs/dbraw/zinc/80/28/28/1188802828.db2.gz HWLPLRFKDUAXLK-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@@H](CCNC(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001077048253 1189301534 /nfs/dbraw/zinc/30/15/34/1189301534.db2.gz JATCVHFZRYPSQD-LBPRGKRZSA-N -1 1 345.374 2.195 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2c(cc1O)OCO2 ZINC000436774647 1189726514 /nfs/dbraw/zinc/72/65/14/1189726514.db2.gz BHUUOWPYODNJPH-UHFFFAOYSA-N -1 1 339.307 2.469 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](C)N(C)[C@@H](C)c2ccccc2F)c1[O-] ZINC001409552385 1190025868 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CCCCC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1CC ZINC001410563393 1198144187 /nfs/dbraw/zinc/14/41/87/1198144187.db2.gz SGFBHUHPSVBRNU-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CS(C)(=O)=Nc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000872375459 1198160821 /nfs/dbraw/zinc/16/08/21/1198160821.db2.gz FHZNJICXPCTWIF-CQSZACIVSA-N -1 1 346.474 2.357 20 0 EEADMM O=C(CC[N-]C(=O)C(F)(F)F)CSc1ncnc2sccc21 ZINC000865344749 1198178193 /nfs/dbraw/zinc/17/81/93/1198178193.db2.gz PVGYXLVLHKMJQX-UHFFFAOYSA-N -1 1 349.359 2.421 20 0 EEADMM CC(C)c1cnc(SCC(=O)CC[N-]C(=O)C(F)(F)F)n1C ZINC000865358472 1198184800 /nfs/dbraw/zinc/18/48/00/1198184800.db2.gz BWGQXKHKLRARFM-UHFFFAOYSA-N -1 1 337.367 2.273 20 0 EEADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCCC1CCCCC1 ZINC001410887603 1198539698 /nfs/dbraw/zinc/53/96/98/1198539698.db2.gz RAXKCKTZYRYSRX-UKRRQHHQSA-N -1 1 349.479 2.340 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)c1ccsc1 ZINC001014891630 1224501444 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Cn1[n-]c(C(=O)Nc2ccc3c(Br)[nH]nc3c2)cc1=O ZINC001194200511 1282940327 /nfs/dbraw/zinc/94/03/27/1282940327.db2.gz ANWZJUWPOVXFDA-UHFFFAOYSA-N -1 1 336.149 2.017 20 0 EEADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2 ZINC001194644451 1283215112 /nfs/dbraw/zinc/21/51/12/1283215112.db2.gz SNWUEXJATYOERV-UHFFFAOYSA-N -1 1 330.409 2.390 20 0 EEADMM CC1(C)COc2cc(NC(=O)c3c[n-]c(C(F)(F)F)n3)nn2C1 ZINC001194773251 1283298623 /nfs/dbraw/zinc/29/86/23/1283298623.db2.gz PLGWBRPOGKYRCA-UHFFFAOYSA-N -1 1 329.282 2.296 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccncc1 ZINC001195178809 1283470036 /nfs/dbraw/zinc/47/00/36/1283470036.db2.gz BCPHEIDUBKUSAA-INIZCTEOSA-N -1 1 348.424 2.398 20 0 EEADMM Cc1ccc([O-])c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC001195325756 1283516019 /nfs/dbraw/zinc/51/60/19/1283516019.db2.gz HRDYRFLPXGREDJ-NEPJUHHUSA-N -1 1 335.404 2.223 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001195299053 1283524211 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CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nc(F)c(F)cc2F)c1 ZINC001260803319 1319980273 /nfs/dbraw/zinc/98/02/73/1319980273.db2.gz CRLYDIKGDZNJBX-UHFFFAOYSA-N -1 1 345.302 2.258 20 0 EEADMM O=C([O-])c1cn(CCNCc2cc(Cl)ccc2OC(F)F)nn1 ZINC001262164604 1322250377 /nfs/dbraw/zinc/25/03/77/1322250377.db2.gz OKFVBIOVGXVUHR-UHFFFAOYSA-N -1 1 346.721 2.021 20 0 EEADMM CC[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC)CCO1 ZINC001263040775 1322426485 /nfs/dbraw/zinc/42/64/85/1322426485.db2.gz OCQJMEMJSIFXJN-JTQLQIEISA-N -1 1 337.811 2.334 20 0 EEADMM Cc1nc(-c2cccc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)c2)cs1 ZINC001263886632 1322546866 /nfs/dbraw/zinc/54/68/66/1322546866.db2.gz QBZHASOSOONNOR-ZDUSSCGKSA-N -1 1 340.412 2.261 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2[C@H](C)O)c1 ZINC000390653204 1322819042 /nfs/dbraw/zinc/81/90/42/1322819042.db2.gz KDQQICVDGIVLRG-NSHDSACASA-N -1 1 335.381 2.327 20 0 EEADMM CSc1nc(Nc2ccccc2CN2CCOCC2)cc(=O)[n-]1 ZINC001209926153 1325099728 /nfs/dbraw/zinc/09/97/28/1325099728.db2.gz 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O=C([O-])c1cccc2nc(NC(=O)c3cc4c([nH]c3=O)CCC4)[nH]c21 ZINC001608524372 1351709546 /nfs/dbraw/zinc/70/95/46/1351709546.db2.gz NEVCUQUHKRFNSR-UHFFFAOYSA-N -1 1 338.323 2.103 20 0 EEADMM Cc1cc(CN2CC[C@](O)(C(F)(F)F)C2)cc(C)c1OCC(=O)[O-] ZINC001600192935 1349989275 /nfs/dbraw/zinc/98/92/75/1349989275.db2.gz JGYSUUQYQBQCHQ-OAHLLOKOSA-N -1 1 347.333 2.266 20 0 EEADMM NCc1cc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)co1 ZINC001601190218 1350228910 /nfs/dbraw/zinc/22/89/10/1350228910.db2.gz DULBNEODGODTFJ-CYBMUJFWSA-N -1 1 328.368 2.286 20 0 EEADMM O=C([O-])[C@@H](NCc1cccc2[nH]c(=O)oc21)c1ccc2c(c1)CCO2 ZINC001608549994 1351714503 /nfs/dbraw/zinc/71/45/03/1351714503.db2.gz AFLLWPFPNQZTQD-HNNXBMFYSA-N -1 1 340.335 2.384 20 0 EEADMM C[C@@H]1OCC[C@]12CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)CCO2 ZINC001604836441 1351017802 /nfs/dbraw/zinc/01/78/02/1351017802.db2.gz WSZYFYYWTZFKQU-KJIFAVORSA-N -1 1 347.411 2.043 20 0 EEADMM COc1ccc(Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)cc1 ZINC001605289088 1351126156 /nfs/dbraw/zinc/12/61/56/1351126156.db2.gz RYKBACUBVAYTRU-UHFFFAOYSA-N -1 1 339.380 2.300 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001606172470 1351281981 /nfs/dbraw/zinc/28/19/81/1351281981.db2.gz VYRJLJYUQHUKRS-UHFFFAOYSA-N -1 1 329.364 2.186 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001606172470 1351281983 /nfs/dbraw/zinc/28/19/83/1351281983.db2.gz VYRJLJYUQHUKRS-UHFFFAOYSA-N -1 1 329.364 2.186 20 0 EEADMM Cc1ccc(Br)cc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001605805726 1351225583 /nfs/dbraw/zinc/22/55/83/1351225583.db2.gz GKOAMWDKZZWATB-UHFFFAOYSA-N -1 1 347.176 2.307 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCC1(C)CCC2(CC1)OCCO2 ZINC001605804599 1351225724 /nfs/dbraw/zinc/22/57/24/1351225724.db2.gz MNGUVVHVTSSOTE-UHFFFAOYSA-N -1 1 344.419 2.305 20 0 EEADMM Cc1c[nH]c(=O)c(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)c1 ZINC001309926572 1331647339 /nfs/dbraw/zinc/64/73/39/1331647339.db2.gz ZZDPEJNJICVXIS-UHFFFAOYSA-N -1 1 336.344 2.459 20 0 EEADMM O=C([O-])CCN1CCC[C@H](N2CCC(c3ccccc3F)CC2)C1=O ZINC001608725892 1351750073 /nfs/dbraw/zinc/75/00/73/1351750073.db2.gz WDANGDSPTJFZLN-KRWDZBQOSA-N -1 1 348.418 2.471 20 0 EEADMM O=C([O-])c1ccc2c(c1)nc(CN[C@@H]1CCOC13CCCC3)[nH]c2=O ZINC001608918624 1351794416 /nfs/dbraw/zinc/79/44/16/1351794416.db2.gz VXFDPDDBRWGOFC-CQSZACIVSA-N -1 1 343.383 2.225 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(N3CCOC3=O)CC2)c1Cl ZINC001608930451 1351797226 /nfs/dbraw/zinc/79/72/26/1351797226.db2.gz AWZNDNVAPFDZDF-UHFFFAOYSA-N -1 1 338.791 2.455 20 0 EEADMM O=C([O-])c1cccc(OCCN[C@H](CO)c2cc(F)ccc2F)c1 ZINC001608937356 1351798554 /nfs/dbraw/zinc/79/85/54/1351798554.db2.gz RPMXNPNCRPGERW-MRXNPFEDSA-N -1 1 337.322 2.365 20 0 EEADMM O=C([O-])c1ccoc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC001608955093 1351802769 /nfs/dbraw/zinc/80/27/69/1351802769.db2.gz HBOLJJIYRFRZSV-UHFFFAOYSA-N -1 1 337.763 2.465 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@@H](c3nc[nH]n3)C2)c(C(F)(F)F)c1 ZINC001608974943 1351806067 /nfs/dbraw/zinc/80/60/67/1351806067.db2.gz NWBFCPUACCAKRZ-MRVPVSSYSA-N -1 1 341.293 2.301 20 0 EEADMM O=Cc1ccccc1OCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001609050345 1351823797 /nfs/dbraw/zinc/82/37/97/1351823797.db2.gz GGFSUURYBUJELO-UHFFFAOYSA-N -1 1 339.307 2.091 20 0 EEADMM Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc2cncn2c1C ZINC001322576911 1333286719 /nfs/dbraw/zinc/28/67/19/1333286719.db2.gz VMFGIGKWPBXPPH-UHFFFAOYSA-N -1 1 343.408 2.211 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609093237 1351839532 /nfs/dbraw/zinc/83/95/32/1351839532.db2.gz UZXMRWYTBNRQMO-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609093237 1351839538 /nfs/dbraw/zinc/83/95/38/1351839538.db2.gz UZXMRWYTBNRQMO-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609165413 1351872329 /nfs/dbraw/zinc/87/23/29/1351872329.db2.gz MLFKOKXGYLSLEL-BXUZGUMPSA-N -1 1 347.394 2.331 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609165413 1351872330 /nfs/dbraw/zinc/87/23/30/1351872330.db2.gz MLFKOKXGYLSLEL-BXUZGUMPSA-N -1 1 347.394 2.331 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Oc1ccccc1F ZINC001609190597 1351883548 /nfs/dbraw/zinc/88/35/48/1351883548.db2.gz PIOWSTSLBSGMOL-SNVBAGLBSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Oc1ccccc1F ZINC001609190597 1351883551 /nfs/dbraw/zinc/88/35/51/1351883551.db2.gz PIOWSTSLBSGMOL-SNVBAGLBSA-N -1 1 345.334 2.186 20 0 EEADMM CCCCO[C@H]1C[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001609210660 1351893319 /nfs/dbraw/zinc/89/33/19/1351893319.db2.gz IHVXLOZWGBJAMU-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CCCCO[C@H]1C[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001609210660 1351893323 /nfs/dbraw/zinc/89/33/23/1351893323.db2.gz IHVXLOZWGBJAMU-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CCCCOc1ncccc1CNc1cccnc1-c1nnn[n-]1 ZINC001609211329 1351893881 /nfs/dbraw/zinc/89/38/81/1351893881.db2.gz WRCJUXGRFINRAC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCCCOc1ncccc1CNc1cccnc1-c1nn[n-]n1 ZINC001609211329 1351893884 /nfs/dbraw/zinc/89/38/84/1351893884.db2.gz WRCJUXGRFINRAC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609248076 1351908168 /nfs/dbraw/zinc/90/81/68/1351908168.db2.gz WGRLCQNVWJECRB-ZWNOBZJWSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609248076 1351908173 /nfs/dbraw/zinc/90/81/73/1351908173.db2.gz WGRLCQNVWJECRB-ZWNOBZJWSA-N -1 1 332.433 2.056 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@H]2CCC[C@@H](C)C2)c1 ZINC001609302007 1351925398 /nfs/dbraw/zinc/92/53/98/1351925398.db2.gz NLNZBEKBKWDGIJ-VXGBXAGGSA-N -1 1 345.403 2.031 20 0 EEADMM COC(=O)c1scc(C)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609307189 1351926202 /nfs/dbraw/zinc/92/62/02/1351926202.db2.gz RRCCJILNJFDTEP-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COC(=O)c1scc(C)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609307189 1351926211 /nfs/dbraw/zinc/92/62/11/1351926211.db2.gz RRCCJILNJFDTEP-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COc1cc(Cl)ccc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609345017 1351940235 /nfs/dbraw/zinc/94/02/35/1351940235.db2.gz DLZHWEUPIBQUDE-UHFFFAOYSA-N -1 1 334.719 2.479 20 0 EEADMM COc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)cc1F ZINC001609353692 1351943418 /nfs/dbraw/zinc/94/34/18/1351943418.db2.gz OCWVWNGDNUEZMN-SOFGYWHQSA-N -1 1 342.334 2.379 20 0 EEADMM COc1ccc(C)cc1CCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609353045 1351943508 /nfs/dbraw/zinc/94/35/08/1351943508.db2.gz BRAKAGFDIXNXGC-UHFFFAOYSA-N -1 1 341.371 2.058 20 0 EEADMM COc1ccc(C)cc1CCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609353045 1351943510 /nfs/dbraw/zinc/94/35/10/1351943510.db2.gz BRAKAGFDIXNXGC-UHFFFAOYSA-N -1 1 341.371 2.058 20 0 EEADMM COc1ccccc1C1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001609363682 1351947676 /nfs/dbraw/zinc/94/76/76/1351947676.db2.gz OTLDQGSJBRWUQS-UHFFFAOYSA-N -1 1 337.387 2.117 20 0 EEADMM COc1ccccc1C1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001609363682 1351947679 /nfs/dbraw/zinc/94/76/79/1351947679.db2.gz OTLDQGSJBRWUQS-UHFFFAOYSA-N -1 1 337.387 2.117 20 0 EEADMM CSC[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001609370753 1351949616 /nfs/dbraw/zinc/94/96/16/1351949616.db2.gz VPKNMTBFLKUQGM-JTQLQIEISA-N -1 1 335.408 2.221 20 0 EEADMM CSC[C@H]1CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001609370753 1351949618 /nfs/dbraw/zinc/94/96/18/1351949618.db2.gz VPKNMTBFLKUQGM-JTQLQIEISA-N -1 1 335.408 2.221 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC001609392632 1351957786 /nfs/dbraw/zinc/95/77/86/1351957786.db2.gz XUOQDQPYSQXZDG-HUUCEWRRSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC001609392632 1351957787 /nfs/dbraw/zinc/95/77/87/1351957787.db2.gz XUOQDQPYSQXZDG-HUUCEWRRSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1cc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc2n1 ZINC001609403007 1351962965 /nfs/dbraw/zinc/96/29/65/1351962965.db2.gz ZCCSMVKPDSMGBY-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1cc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC001609403007 1351962967 /nfs/dbraw/zinc/96/29/67/1351962967.db2.gz ZCCSMVKPDSMGBY-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1cc(N2CCN(c3ccc(F)cc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001609405533 1351963298 /nfs/dbraw/zinc/96/32/98/1351963298.db2.gz OOZGLIJVZDSSBV-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1cc(N2CCN(c3ccc(F)cc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001609405533 1351963300 /nfs/dbraw/zinc/96/33/00/1351963300.db2.gz OOZGLIJVZDSSBV-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1ccc(N2CCO[C@]3(CCc4ccccc43)C2)nc1-c1nnn[n-]1 ZINC001609425459 1351971502 /nfs/dbraw/zinc/97/15/02/1351971502.db2.gz QNJYPTUHDQNHBX-LJQANCHMSA-N -1 1 348.410 2.248 20 0 EEADMM Cc1ccc(N2CCO[C@]3(CCc4ccccc43)C2)nc1-c1nn[n-]n1 ZINC001609425459 1351971503 /nfs/dbraw/zinc/97/15/03/1351971503.db2.gz QNJYPTUHDQNHBX-LJQANCHMSA-N -1 1 348.410 2.248 20 0 EEADMM Cc1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)nc1-c1nnn[n-]1 ZINC001609426024 1351972257 /nfs/dbraw/zinc/97/22/57/1351972257.db2.gz AMQKEYLQNCHGQN-GIPNMCIBSA-N -1 1 334.474 2.362 20 0 EEADMM Cc1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)nc1-c1nn[n-]n1 ZINC001609426024 1351972260 /nfs/dbraw/zinc/97/22/60/1351972260.db2.gz AMQKEYLQNCHGQN-GIPNMCIBSA-N -1 1 334.474 2.362 20 0 EEADMM Cc1ccc2c(c1)nc(CNc1cc(C)nc(-c3nnn[n-]3)c1)n2C ZINC001609428914 1351972743 /nfs/dbraw/zinc/97/27/43/1351972743.db2.gz FAQMZALTXHJJJK-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM Cc1ccc2c(c1)nc(CNc1cc(C)nc(-c3nn[n-]n3)c1)n2C ZINC001609428914 1351972744 /nfs/dbraw/zinc/97/27/44/1351972744.db2.gz FAQMZALTXHJJJK-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM Cc1ccccc1[C@]1(F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609435822 1351975891 /nfs/dbraw/zinc/97/58/91/1351975891.db2.gz LHCNZLQGVKRBNY-INIZCTEOSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1ccccc1[C@]1(F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609435822 1351975894 /nfs/dbraw/zinc/97/58/94/1351975894.db2.gz LHCNZLQGVKRBNY-INIZCTEOSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC001609444728 1351981085 /nfs/dbraw/zinc/98/10/85/1351981085.db2.gz PWNZYGOYVPOAFQ-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1nsc(N2CCO[C@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001609465489 1351987931 /nfs/dbraw/zinc/98/79/31/1351987931.db2.gz UIZRKGNLRFQENT-LBPRGKRZSA-N -1 1 346.391 2.349 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC001609467154 1351988475 /nfs/dbraw/zinc/98/84/75/1351988475.db2.gz WBXSSWGIRQEUFK-CYBMUJFWSA-N -1 1 345.384 2.043 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC001609467154 1351988478 /nfs/dbraw/zinc/98/84/78/1351988478.db2.gz WBXSSWGIRQEUFK-CYBMUJFWSA-N -1 1 345.384 2.043 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC001609466654 1351988705 /nfs/dbraw/zinc/98/87/05/1351988705.db2.gz FFJMPBNNIIXKCX-GFCCVEGCSA-N -1 1 345.384 2.043 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC001609466654 1351988707 /nfs/dbraw/zinc/98/87/07/1351988707.db2.gz FFJMPBNNIIXKCX-GFCCVEGCSA-N -1 1 345.384 2.043 20 0 EEADMM Clc1nc(N[C@@H]2CCOC3(CCC3)C2)sc1-c1nnn[n-]1 ZINC001609474512 1351990952 /nfs/dbraw/zinc/99/09/52/1351990952.db2.gz CWUFGWXNRHSSPS-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nc(N[C@@H]2CCOC3(CCC3)C2)sc1-c1nn[n-]n1 ZINC001609474512 1351990953 /nfs/dbraw/zinc/99/09/53/1351990953.db2.gz CWUFGWXNRHSSPS-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609480450 1351992339 /nfs/dbraw/zinc/99/23/39/1351992339.db2.gz HYLNEKDSJMMRDX-LBPRGKRZSA-N -1 1 328.401 2.244 20 0 EEADMM FC1(F)Oc2ccc(COc3cccnc3-c3nnn[n-]3)cc2O1 ZINC001609486293 1351994747 /nfs/dbraw/zinc/99/47/47/1351994747.db2.gz LLTGNOGHFDQASW-UHFFFAOYSA-N -1 1 333.254 2.162 20 0 EEADMM FC1(F)Oc2ccc(COc3cccnc3-c3nn[n-]n3)cc2O1 ZINC001609486293 1351994752 /nfs/dbraw/zinc/99/47/52/1351994752.db2.gz LLTGNOGHFDQASW-UHFFFAOYSA-N -1 1 333.254 2.162 20 0 EEADMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609565580 1352018409 /nfs/dbraw/zinc/01/84/09/1352018409.db2.gz RONWCQFOCRMYBZ-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609565580 1352018413 /nfs/dbraw/zinc/01/84/13/1352018413.db2.gz RONWCQFOCRMYBZ-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1cc(-c2ccccc2)on1 ZINC001609615710 1352040076 /nfs/dbraw/zinc/04/00/76/1352040076.db2.gz NCAHUFHVXVAOGC-UHFFFAOYSA-N -1 1 332.327 2.019 20 0 EEADMM CC(C)(C)N1CC[C@@](F)(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC001609657760 1352052385 /nfs/dbraw/zinc/05/23/85/1352052385.db2.gz GATPQTBFQYBDGO-HNNXBMFYSA-N -1 1 343.424 2.311 20 0 EEADMM CC(C)OC(=O)Cc1nc(CNC2(CC(=O)[O-])CCC2)cs1 ZINC001609708848 1352064126 /nfs/dbraw/zinc/06/41/26/1352064126.db2.gz GUUPSDCCJZPXFI-UHFFFAOYSA-N -1 1 326.418 2.124 20 0 EEADMM C[C@@H](Oc1ccc(CNCC(=O)Nc2cccc(F)c2)cc1)C(=O)[O-] ZINC001609801912 1352088573 /nfs/dbraw/zinc/08/85/73/1352088573.db2.gz TZIAZIJSUBZFHV-GFCCVEGCSA-N -1 1 346.358 2.406 20 0 EEADMM C[C@@H]1[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@H]1c1ccccc1 ZINC001609831160 1352096077 /nfs/dbraw/zinc/09/60/77/1352096077.db2.gz CZFHQOSEKYRBHI-NONVJHHQSA-N -1 1 330.428 2.044 20 0 EEADMM CC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC001609884551 1352111061 /nfs/dbraw/zinc/11/10/61/1352111061.db2.gz HZJOJERADUDVPV-CJNGLKHVSA-N -1 1 336.407 2.327 20 0 EEADMM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC=C(C)CC1 ZINC001340370258 1337170168 /nfs/dbraw/zinc/17/01/68/1337170168.db2.gz OVIWLDRLCSHDEH-UHFFFAOYSA-N -1 1 326.404 2.494 20 0 EEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001609909070 1352117600 /nfs/dbraw/zinc/11/76/00/1352117600.db2.gz KVHMMRDIWRZHGT-DTWKUNHWSA-N -1 1 332.364 2.294 20 0 EEADMM COc1cccc2c1OCC[C@@H]2NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001347786673 1337521341 /nfs/dbraw/zinc/52/13/41/1337521341.db2.gz 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EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001590236267 1349215882 /nfs/dbraw/zinc/21/58/82/1349215882.db2.gz IJQYGFSZYOHABQ-KXUCPTDWSA-N -1 1 341.462 2.031 20 0 EEADMM CCC(C)(C)CCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590375630 1349290984 /nfs/dbraw/zinc/29/09/84/1349290984.db2.gz OLFKQZSQPAUHKA-UHFFFAOYSA-N -1 1 343.478 2.174 20 0 EEADMM CC/C(C)=C/C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590385696 1349297509 /nfs/dbraw/zinc/29/75/09/1349297509.db2.gz SADFDYCSMCRRAB-PCYYEKQGSA-N -1 1 349.464 2.247 20 0 EEADMM CC[C@H](C)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590400387 1349302589 /nfs/dbraw/zinc/30/25/89/1349302589.db2.gz QQJZACKWAHBFNS-GWCFXTLKSA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@H](C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590400387 1349302593 /nfs/dbraw/zinc/30/25/93/1349302593.db2.gz QQJZACKWAHBFNS-GWCFXTLKSA-N -1 1 327.392 2.283 20 0 EEADMM CCC(CC)(CNc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001590428556 1349321267 /nfs/dbraw/zinc/32/12/67/1349321267.db2.gz KKIAYXLCMRELFG-UHFFFAOYSA-N -1 1 346.435 2.244 20 0 EEADMM CCC(CC)(CNc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001590428556 1349321270 /nfs/dbraw/zinc/32/12/70/1349321270.db2.gz KKIAYXLCMRELFG-UHFFFAOYSA-N -1 1 346.435 2.244 20 0 EEADMM CCC(CC)CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590433580 1349323702 /nfs/dbraw/zinc/32/37/02/1349323702.db2.gz VTFDFZXTRYTTOY-UHFFFAOYSA-N -1 1 330.392 2.099 20 0 EEADMM CC[C@H](CNC(=O)C=C1CCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590440461 1349327405 /nfs/dbraw/zinc/32/74/05/1349327405.db2.gz OTHUAMYHOSWILL-LLVKDONJSA-N -1 1 347.448 2.049 20 0 EEADMM CC[C@H](O)CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590476963 1349349016 /nfs/dbraw/zinc/34/90/16/1349349016.db2.gz MUZZCJMPSHUWGX-LBPRGKRZSA-N -1 1 326.360 2.237 20 0 EEADMM CC[C@H](O)CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590476963 1349349021 /nfs/dbraw/zinc/34/90/21/1349349021.db2.gz MUZZCJMPSHUWGX-LBPRGKRZSA-N -1 1 326.360 2.237 20 0 EEADMM CC[C@@H](OCCOc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590479382 1349350637 /nfs/dbraw/zinc/35/06/37/1349350637.db2.gz XBGPAWJTMOFQQV-CQSZACIVSA-N -1 1 326.360 2.203 20 0 EEADMM CC[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511897 1349362349 /nfs/dbraw/zinc/36/23/49/1349362349.db2.gz OESWYXRZAVRVRG-GHMZBOCLSA-N -1 1 339.421 2.049 20 0 EEADMM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590979612 1349426589 /nfs/dbraw/zinc/42/65/89/1349426589.db2.gz GITVAIYBWRGNEX-CYBMUJFWSA-N -1 1 348.410 2.420 20 0 EEADMM CN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590979612 1349426595 /nfs/dbraw/zinc/42/65/95/1349426595.db2.gz GITVAIYBWRGNEX-CYBMUJFWSA-N -1 1 348.410 2.420 20 0 EEADMM CN(C)c1cccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001591034556 1349434012 /nfs/dbraw/zinc/43/40/12/1349434012.db2.gz FMCWOKJFZMFWRB-UHFFFAOYSA-N -1 1 349.807 2.295 20 0 EEADMM COC(=O)c1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ccc1C ZINC001591289868 1349455988 /nfs/dbraw/zinc/45/59/88/1349455988.db2.gz AUPWFKYEXWLGBI-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591335920 1349464468 /nfs/dbraw/zinc/46/44/68/1349464468.db2.gz YRJVWLZVGIACSG-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591335920 1349464478 /nfs/dbraw/zinc/46/44/78/1349464478.db2.gz YRJVWLZVGIACSG-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM COC[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001591375903 1349475353 /nfs/dbraw/zinc/47/53/53/1349475353.db2.gz WIHBMDBBRRQVFD-MRVPVSSYSA-N -1 1 349.416 2.053 20 0 EEADMM COC[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001591375903 1349475363 /nfs/dbraw/zinc/47/53/63/1349475363.db2.gz WIHBMDBBRRQVFD-MRVPVSSYSA-N -1 1 349.416 2.053 20 0 EEADMM COc1c(C)cnc(COc2ccc(F)nc2-c2nn[n-]n2)c1C ZINC001591480127 1349490362 /nfs/dbraw/zinc/49/03/62/1349490362.db2.gz UPEZVZZEDSYNTH-UHFFFAOYSA-N -1 1 330.323 2.000 20 0 EEADMM COc1ccc2[nH]nc(NC(=O)c3ccsc3-c3nnn[n-]3)c2c1 ZINC001591624749 1349519447 /nfs/dbraw/zinc/51/94/47/1349519447.db2.gz GSYGVJBIKNCMIJ-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ccc2[nH]nc(NC(=O)c3ccsc3-c3nn[n-]n3)c2c1 ZINC001591624749 1349519454 /nfs/dbraw/zinc/51/94/54/1349519454.db2.gz GSYGVJBIKNCMIJ-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1cccc2c1CN(c1snc(C)c1-c1nn[n-]n1)CC2 ZINC001591643288 1349521411 /nfs/dbraw/zinc/52/14/11/1349521411.db2.gz HQYQDENRNAZJJE-UHFFFAOYSA-N -1 1 328.401 2.203 20 0 EEADMM COc1cccc2cc(CNc3n[nH]c(C)c3-c3nnn[n-]3)oc21 ZINC001591644168 1349521835 /nfs/dbraw/zinc/52/18/35/1349521835.db2.gz DIBVHFBGHDBBSF-UHFFFAOYSA-N -1 1 325.332 2.265 20 0 EEADMM COc1cccc2cc(CNc3n[nH]c(C)c3-c3nn[n-]n3)oc21 ZINC001591644168 1349521840 /nfs/dbraw/zinc/52/18/40/1349521840.db2.gz DIBVHFBGHDBBSF-UHFFFAOYSA-N -1 1 325.332 2.265 20 0 EEADMM Cc1ccnc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc12 ZINC001592277199 1349616242 /nfs/dbraw/zinc/61/62/42/1349616242.db2.gz YNKPFOLASAHNKU-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1ccnc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc12 ZINC001592277199 1349616246 /nfs/dbraw/zinc/61/62/46/1349616246.db2.gz YNKPFOLASAHNKU-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592358551 1349624955 /nfs/dbraw/zinc/62/49/55/1349624955.db2.gz NLNDXVQMMJPCNV-UHFFFAOYSA-N -1 1 340.412 2.439 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001592467756 1349634721 /nfs/dbraw/zinc/63/47/21/1349634721.db2.gz GZMNRDOFRGDFDB-UHFFFAOYSA-N -1 1 348.819 2.491 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001592467756 1349634722 /nfs/dbraw/zinc/63/47/22/1349634722.db2.gz GZMNRDOFRGDFDB-UHFFFAOYSA-N -1 1 348.819 2.491 20 0 EEADMM Cc1nsc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592479901 1349635437 /nfs/dbraw/zinc/63/54/37/1349635437.db2.gz RRGUQHJLPUWGCS-WCBMZHEXSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592479901 1349635443 /nfs/dbraw/zinc/63/54/43/1349635443.db2.gz RRGUQHJLPUWGCS-WCBMZHEXSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)OC2CCCCC2)c1-c1nnn[n-]1 ZINC001592479052 1349635919 /nfs/dbraw/zinc/63/59/19/1349635919.db2.gz KPTAFTCNZJHPMJ-VIFPVBQESA-N -1 1 336.421 2.308 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)OC2CCCCC2)c1-c1nn[n-]n1 ZINC001592479052 1349635921 /nfs/dbraw/zinc/63/59/21/1349635921.db2.gz KPTAFTCNZJHPMJ-VIFPVBQESA-N -1 1 336.421 2.308 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)/C=C\Cl)c1-c1nnn[n-]1 ZINC001592479750 1349635994 /nfs/dbraw/zinc/63/59/94/1349635994.db2.gz DYQIWJSEBWUDNA-PLNGDYQASA-N -1 1 327.801 2.284 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)/C=C\Cl)c1-c1nn[n-]n1 ZINC001592479750 1349635995 /nfs/dbraw/zinc/63/59/95/1349635995.db2.gz DYQIWJSEBWUDNA-PLNGDYQASA-N -1 1 327.801 2.284 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC001592501162 1349638218 /nfs/dbraw/zinc/63/82/18/1349638218.db2.gz DOXDLXYUJZWMGX-MRVPVSSYSA-N -1 1 344.202 2.472 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC001592501162 1349638220 /nfs/dbraw/zinc/63/82/20/1349638220.db2.gz DOXDLXYUJZWMGX-MRVPVSSYSA-N -1 1 344.202 2.472 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC001592503592 1349640096 /nfs/dbraw/zinc/64/00/96/1349640096.db2.gz UAZBGDLOHMWWPJ-QMMMGPOBSA-N -1 1 325.328 2.344 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC001592503592 1349640098 /nfs/dbraw/zinc/64/00/98/1349640098.db2.gz UAZBGDLOHMWWPJ-QMMMGPOBSA-N -1 1 325.328 2.344 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]1C1CC1 ZINC001592505148 1349642560 /nfs/dbraw/zinc/64/25/60/1349642560.db2.gz RVHPOJMSWHEXGZ-LBPRGKRZSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]1C1CC1 ZINC001592505148 1349642562 /nfs/dbraw/zinc/64/25/62/1349642562.db2.gz RVHPOJMSWHEXGZ-LBPRGKRZSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1CCCC1 ZINC001592504746 1349643308 /nfs/dbraw/zinc/64/33/08/1349643308.db2.gz PCISJOPTTHXKNE-UHFFFAOYSA-N -1 1 326.360 2.231 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1CCCC1 ZINC001592504746 1349643312 /nfs/dbraw/zinc/64/33/12/1349643312.db2.gz PCISJOPTTHXKNE-UHFFFAOYSA-N -1 1 326.360 2.231 20 0 EEADMM Clc1n[nH]c(C2CC2)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592523758 1349646036 /nfs/dbraw/zinc/64/60/36/1349646036.db2.gz XWVRTPLYMSEZNS-UHFFFAOYSA-N -1 1 345.798 2.333 20 0 EEADMM Clc1n[nH]c(C2CC2)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592523758 1349646043 /nfs/dbraw/zinc/64/60/43/1349646043.db2.gz XWVRTPLYMSEZNS-UHFFFAOYSA-N -1 1 345.798 2.333 20 0 EEADMM Clc1ccc(N2CC(CC3CCOCC3)C2)nc1-c1nnn[n-]1 ZINC001592531673 1349649185 /nfs/dbraw/zinc/64/91/85/1349649185.db2.gz QOPOLQGSXJTOKI-UHFFFAOYSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CC(CC3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001592531673 1349649186 /nfs/dbraw/zinc/64/91/86/1349649186.db2.gz QOPOLQGSXJTOKI-UHFFFAOYSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc2c(CCNc3cc(-c4nnn[n-]4)ncn3)c[nH]c2c1 ZINC001592533485 1349650111 /nfs/dbraw/zinc/65/01/11/1349650111.db2.gz NZTCYKOBAOVSLD-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2c(CCNc3cc(-c4nn[n-]n4)ncn3)c[nH]c2c1 ZINC001592533485 1349650113 /nfs/dbraw/zinc/65/01/13/1349650113.db2.gz NZTCYKOBAOVSLD-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1cccc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c1 ZINC001592534895 1349650538 /nfs/dbraw/zinc/65/05/38/1349650538.db2.gz YLMPNOCILUOGNC-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1cccc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c1 ZINC001592534895 1349650541 /nfs/dbraw/zinc/65/05/41/1349650541.db2.gz YLMPNOCILUOGNC-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1sc(NC[C@H]2COC3(CCCC3)O2)nc1-c1nn[n-]n1 ZINC001592543827 1349654955 /nfs/dbraw/zinc/65/49/55/1349654955.db2.gz RDBDMFYDVJYCFF-ZETCQYMHSA-N -1 1 342.812 2.074 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)CC12CCC2 ZINC001592614024 1349671088 /nfs/dbraw/zinc/67/10/88/1349671088.db2.gz RAQKZZCFCBVFEQ-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)CC12CCC2 ZINC001592614024 1349671093 /nfs/dbraw/zinc/67/10/93/1349671093.db2.gz RAQKZZCFCBVFEQ-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM FCC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592631346 1349681656 /nfs/dbraw/zinc/68/16/56/1349681656.db2.gz CJPIAZOODPJHIB-LLVKDONJSA-N -1 1 327.367 2.386 20 0 EEADMM FCC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592631346 1349681657 /nfs/dbraw/zinc/68/16/57/1349681657.db2.gz CJPIAZOODPJHIB-LLVKDONJSA-N -1 1 327.367 2.386 20 0 EEADMM FC1CC2(C1)CN(c1cc(C(F)(F)F)cc(-c3nnn[n-]3)n1)C2 ZINC001592630803 1349681765 /nfs/dbraw/zinc/68/17/65/1349681765.db2.gz MVVUDQDSDFMAGM-UHFFFAOYSA-N -1 1 328.273 2.219 20 0 EEADMM FC1CC2(C1)CN(c1cc(C(F)(F)F)cc(-c3nn[n-]n3)n1)C2 ZINC001592630803 1349681771 /nfs/dbraw/zinc/68/17/71/1349681771.db2.gz MVVUDQDSDFMAGM-UHFFFAOYSA-N -1 1 328.273 2.219 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001592647506 1349692835 /nfs/dbraw/zinc/69/28/35/1349692835.db2.gz RURGJYXWEPIZJA-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592647506 1349692836 /nfs/dbraw/zinc/69/28/36/1349692836.db2.gz RURGJYXWEPIZJA-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(NCC1(C(F)(F)F)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593017264 1349733845 /nfs/dbraw/zinc/73/38/45/1349733845.db2.gz SJOXFVZOEBOYPI-UHFFFAOYSA-N -1 1 329.257 2.078 20 0 EEADMM O=C(NCC1(C(F)(F)F)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593017264 1349733856 /nfs/dbraw/zinc/73/38/56/1349733856.db2.gz SJOXFVZOEBOYPI-UHFFFAOYSA-N -1 1 329.257 2.078 20 0 EEADMM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593247527 1349749773 /nfs/dbraw/zinc/74/97/73/1349749773.db2.gz JXDNGZNDXNYSQI-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(OCC1(C2CC2)CCOCC1)c1csc(-c2nnn[n-]2)c1 ZINC001593284089 1349762867 /nfs/dbraw/zinc/76/28/67/1349762867.db2.gz YVCTXJHNLLJMAX-UHFFFAOYSA-N -1 1 334.401 2.292 20 0 EEADMM O=C(OCC1(C2CC2)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001593284089 1349762871 /nfs/dbraw/zinc/76/28/71/1349762871.db2.gz YVCTXJHNLLJMAX-UHFFFAOYSA-N -1 1 334.401 2.292 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001593371912 1349792956 /nfs/dbraw/zinc/79/29/56/1349792956.db2.gz WNWYJIMZXMEGSX-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=Cc1ccc(Oc2ncncc2-c2nnn[n-]2)c(Br)c1 ZINC001593416160 1349798917 /nfs/dbraw/zinc/79/89/17/1349798917.db2.gz NLIYYYJJAHYGQZ-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2ncncc2-c2nn[n-]n2)c(Br)c1 ZINC001593416160 1349798920 /nfs/dbraw/zinc/79/89/20/1349798920.db2.gz NLIYYYJJAHYGQZ-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCC2(O)CCC2)c2ccc(Cl)cc12 ZINC001593495045 1349819739 /nfs/dbraw/zinc/81/97/39/1349819739.db2.gz QCZQEUQSGLERSE-UHFFFAOYSA-N -1 1 345.790 2.140 20 0 EEADMM c1c(NCCC[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543147 1349838614 /nfs/dbraw/zinc/83/86/14/1349838614.db2.gz DDJYNCKSKZXQFT-LBPRGKRZSA-N -1 1 329.408 2.295 20 0 EEADMM c1c(NCCC[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543147 1349838624 /nfs/dbraw/zinc/83/86/24/1349838624.db2.gz DDJYNCKSKZXQFT-LBPRGKRZSA-N -1 1 329.408 2.295 20 0 EEADMM c1ccc([C@@H]2OCC[C@H]2Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001593577194 1349859343 /nfs/dbraw/zinc/85/93/43/1349859343.db2.gz AIPTVVXGGHWXHN-CJNGLKHVSA-N -1 1 349.398 2.476 20 0 EEADMM c1ccc([C@@H]2OCC[C@H]2Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001593577194 1349859345 /nfs/dbraw/zinc/85/93/45/1349859345.db2.gz AIPTVVXGGHWXHN-CJNGLKHVSA-N -1 1 349.398 2.476 20 0 EEADMM c1cc(-c2nc([C@H]3CCOc4ccccc43)no2)oc1-c1nn[n-]n1 ZINC001593579664 1349861074 /nfs/dbraw/zinc/86/10/74/1349861074.db2.gz NFTUQRXFALDUHX-JTQLQIEISA-N -1 1 336.311 2.424 20 0 EEADMM c1c2ccccc2n2c1CN(Cc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001593580318 1349862321 /nfs/dbraw/zinc/86/23/21/1349862321.db2.gz TVPNKFCYPRNOIH-UHFFFAOYSA-N -1 1 331.383 2.232 20 0 EEADMM c1c2ccccc2n2c1CN(Cc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001593580318 1349862326 /nfs/dbraw/zinc/86/23/26/1349862326.db2.gz TVPNKFCYPRNOIH-UHFFFAOYSA-N -1 1 331.383 2.232 20 0 EEADMM Cc1cc(-n2ccnc2)ccc1CN(C)[C@@H](COC(C)C)C(=O)[O-] ZINC001600064186 1349964124 /nfs/dbraw/zinc/96/41/24/1349964124.db2.gz VESVGXNHCJCDHX-KRWDZBQOSA-N -1 1 331.416 2.491 20 0 EEADMM Cc1cc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)no1 ZINC001600256227 1350003263 /nfs/dbraw/zinc/00/32/63/1350003263.db2.gz CGJJNBQNTSIFBP-INIZCTEOSA-N -1 1 335.335 2.040 20 0 EEADMM Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1C(=O)[O-] ZINC001600451622 1350055702 /nfs/dbraw/zinc/05/57/02/1350055702.db2.gz IZVSITUCXVQEJL-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@](C)(N)c2ccccc2)C(=O)[O-])c1 ZINC001600526585 1350073665 /nfs/dbraw/zinc/07/36/65/1350073665.db2.gz AQPMVJHOOBWUQY-OXQOHEQNSA-N -1 1 340.423 2.229 20 0 EEADMM Cc1ccccc1OCCC[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600586918 1350090757 /nfs/dbraw/zinc/09/07/57/1350090757.db2.gz NJLCBYODELTCSK-HVEKOLDVSA-N -1 1 347.411 2.261 20 0 EEADMM Cc1oc(CN(C)[C@H]2CCC3(C[C@H]2F)OCCO3)cc1C(=O)[O-] ZINC001600843774 1350149646 /nfs/dbraw/zinc/14/96/46/1350149646.db2.gz QTOUWMKCCPPJFT-KGLIPLIRSA-N -1 1 327.352 2.352 20 0 EEADMM Cc1sc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1Br ZINC001600880219 1350158627 /nfs/dbraw/zinc/15/86/27/1350158627.db2.gz GBIGLZYMTYTGON-BDAKNGLRSA-N -1 1 334.235 2.086 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CC[C@@H](C2CCOCC2)C1 ZINC001601305067 1350253201 /nfs/dbraw/zinc/25/32/01/1350253201.db2.gz IUZMUBDYPWZADH-GFCCVEGCSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])C1(NC(=O)CN[C@H]2CCc3c2cccc3F)CCCCC1 ZINC001601329147 1350258720 /nfs/dbraw/zinc/25/87/20/1350258720.db2.gz BLPODIXWAKDPIU-HNNXBMFYSA-N -1 1 334.391 2.306 20 0 EEADMM O=C([O-])[C@@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1F ZINC001601375541 1350269693 /nfs/dbraw/zinc/26/96/93/1350269693.db2.gz PUKMYONHLPPSED-INIZCTEOSA-N -1 1 332.331 2.339 20 0 EEADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001601408172 1350277332 /nfs/dbraw/zinc/27/73/32/1350277332.db2.gz BZLKUTIYIQVIHI-GZMMTYOYSA-N -1 1 347.289 2.163 20 0 EEADMM O=C([O-])[C@@]1(NCc2c(F)ccc(Br)c2F)CCOC1 ZINC001601720351 1350347622 /nfs/dbraw/zinc/34/76/22/1350347622.db2.gz ONKNKKZZWJAKOT-GFCCVEGCSA-N -1 1 336.132 2.061 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC001601809828 1350369498 /nfs/dbraw/zinc/36/94/98/1350369498.db2.gz JGUBEOLXBHYJOA-CHWSQXEVSA-N -1 1 347.383 2.341 20 0 EEADMM O=C([O-])/C=C\c1ccc(CNC2(C(=O)NCC3CC3)CCCC2)o1 ZINC001601878818 1350388600 /nfs/dbraw/zinc/38/86/00/1350388600.db2.gz AIKVRYYAINYZFY-FPLPWBNLSA-N -1 1 332.400 2.306 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1cccs1 ZINC001601904707 1350393695 /nfs/dbraw/zinc/39/36/95/1350393695.db2.gz SZNMUNJTYKWDQB-GFCCVEGCSA-N -1 1 342.380 2.479 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001602124515 1350445258 /nfs/dbraw/zinc/44/52/58/1350445258.db2.gz MXGXZBHTQSERGT-CABCVRRESA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC001602124515 1350445260 /nfs/dbraw/zinc/44/52/60/1350445260.db2.gz MXGXZBHTQSERGT-CABCVRRESA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001602430271 1350517666 /nfs/dbraw/zinc/51/76/66/1350517666.db2.gz ATKKPIPMLZRHGW-GFCCVEGCSA-N -1 1 326.190 2.104 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1C[C@@H](O)C2(CC2)C1 ZINC001602430271 1350517668 /nfs/dbraw/zinc/51/76/68/1350517668.db2.gz ATKKPIPMLZRHGW-GFCCVEGCSA-N -1 1 326.190 2.104 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN([C@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC001602655698 1350567358 /nfs/dbraw/zinc/56/73/58/1350567358.db2.gz JORKZTWAGBZZDG-YYHQMBLXSA-N -1 1 348.365 2.019 20 0 EEADMM CC(=O)Nc1cccc([C@@H](C)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001602956605 1350610321 /nfs/dbraw/zinc/61/03/21/1350610321.db2.gz VKFZVUSKSXCUKK-SECBINFHSA-N -1 1 343.416 2.132 20 0 EEADMM CC(=O)Nc1cccc([C@@H](C)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001602956605 1350610328 /nfs/dbraw/zinc/61/03/28/1350610328.db2.gz VKFZVUSKSXCUKK-SECBINFHSA-N -1 1 343.416 2.132 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001603106716 1350641178 /nfs/dbraw/zinc/64/11/78/1350641178.db2.gz WOKZLBDWAPJLKN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001603106716 1350641182 /nfs/dbraw/zinc/64/11/82/1350641182.db2.gz WOKZLBDWAPJLKN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1nc(CCNc2cc(-c3nnn[n-]3)ncn2)cs1 ZINC001603124251 1350646526 /nfs/dbraw/zinc/64/65/26/1350646526.db2.gz QTBYOEYBIFODCR-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)(C)c1nc(CCNc2cc(-c3nn[n-]n3)ncn2)cs1 ZINC001603124251 1350646529 /nfs/dbraw/zinc/64/65/29/1350646529.db2.gz QTBYOEYBIFODCR-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)COc1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001603303034 1350683591 /nfs/dbraw/zinc/68/35/91/1350683591.db2.gz YMHSVGNWKVSFTO-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)COc1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001603303034 1350683595 /nfs/dbraw/zinc/68/35/95/1350683595.db2.gz YMHSVGNWKVSFTO-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)OC1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001603347214 1350692443 /nfs/dbraw/zinc/69/24/43/1350692443.db2.gz LNUNVHJDOGNKMO-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)Oc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001603363624 1350695263 /nfs/dbraw/zinc/69/52/63/1350695263.db2.gz CXBLKSQYTRWCHG-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM C[C@@]1(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCCO1 ZINC001603806057 1350773179 /nfs/dbraw/zinc/77/31/79/1350773179.db2.gz FGRUGXDSMZRPLG-LBPRGKRZSA-N -1 1 328.298 2.262 20 0 EEADMM C[C@@]1(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCCO1 ZINC001603806057 1350773184 /nfs/dbraw/zinc/77/31/84/1350773184.db2.gz FGRUGXDSMZRPLG-LBPRGKRZSA-N -1 1 328.298 2.262 20 0 EEADMM C[C@]12CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@H]1C2(F)F ZINC001603824995 1350777310 /nfs/dbraw/zinc/77/73/10/1350777310.db2.gz JHAYCHDLDGDGCO-YGRLFVJLSA-N -1 1 333.346 2.016 20 0 EEADMM C[C@]12CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@H]1C2(F)F ZINC001603824995 1350777315 /nfs/dbraw/zinc/77/73/15/1350777315.db2.gz JHAYCHDLDGDGCO-YGRLFVJLSA-N -1 1 333.346 2.016 20 0 EEADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603878320 1350791008 /nfs/dbraw/zinc/79/10/08/1350791008.db2.gz NKCZALNCAYOPQD-SSDOTTSWSA-N -1 1 343.284 2.405 20 0 EEADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603878320 1350791010 /nfs/dbraw/zinc/79/10/10/1350791010.db2.gz NKCZALNCAYOPQD-SSDOTTSWSA-N -1 1 343.284 2.405 20 0 EEADMM CC[C@H]1CCCN1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604105578 1350858914 /nfs/dbraw/zinc/85/89/14/1350858914.db2.gz KGWSXBYUUYWRET-LURJTMIESA-N -1 1 327.801 2.383 20 0 EEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001604152016 1350875158 /nfs/dbraw/zinc/87/51/58/1350875158.db2.gz FQBUGHBHRDHUFK-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM CCCCCn1cc(CNc2cc(-c3nnn[n-]3)nc(C)n2)c(C)n1 ZINC001604178881 1350885077 /nfs/dbraw/zinc/88/50/77/1350885077.db2.gz KDJFAOKYEGDWLJ-UHFFFAOYSA-N -1 1 341.423 2.272 20 0 EEADMM CCCCCn1cc(CNc2cc(-c3nn[n-]n3)nc(C)n2)c(C)n1 ZINC001604178881 1350885078 /nfs/dbraw/zinc/88/50/78/1350885078.db2.gz KDJFAOKYEGDWLJ-UHFFFAOYSA-N -1 1 341.423 2.272 20 0 EEADMM CCCN(CCc1cccs1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001604214090 1350894359 /nfs/dbraw/zinc/89/43/59/1350894359.db2.gz RIISQBKLNCTCTA-UHFFFAOYSA-N -1 1 329.433 2.486 20 0 EEADMM CCCN(CCc1cccs1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001604214090 1350894364 /nfs/dbraw/zinc/89/43/64/1350894364.db2.gz RIISQBKLNCTCTA-UHFFFAOYSA-N -1 1 329.433 2.486 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604234018 1350899706 /nfs/dbraw/zinc/89/97/06/1350899706.db2.gz HMLNEIVLZNEUMQ-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604240731 1350900949 /nfs/dbraw/zinc/90/09/49/1350900949.db2.gz KHWGLRLDRUTTAP-MNOVXSKESA-N -1 1 348.428 2.149 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@H]1CCCC[C@@H]1C ZINC001604263798 1350904844 /nfs/dbraw/zinc/90/48/44/1350904844.db2.gz KWXDZFPYASSSHB-GWCFXTLKSA-N -1 1 344.419 2.317 20 0 EEADMM CCN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccc(OC)cc1 ZINC001604323431 1350915690 /nfs/dbraw/zinc/91/56/90/1350915690.db2.gz BIPVQRMNDBGBBI-UHFFFAOYSA-N -1 1 330.417 2.354 20 0 EEADMM CCN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccc(OC)cc1 ZINC001604323431 1350915692 /nfs/dbraw/zinc/91/56/92/1350915692.db2.gz BIPVQRMNDBGBBI-UHFFFAOYSA-N -1 1 330.417 2.354 20 0 EEADMM CCO[C@H](CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001604401597 1350929881 /nfs/dbraw/zinc/92/98/81/1350929881.db2.gz XOMOBMCWJPUTOP-SNVBAGLBSA-N -1 1 338.437 2.046 20 0 EEADMM CCO[C@H](CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001604401597 1350929883 /nfs/dbraw/zinc/92/98/83/1350929883.db2.gz XOMOBMCWJPUTOP-SNVBAGLBSA-N -1 1 338.437 2.046 20 0 EEADMM CCSCc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001604483719 1350947341 /nfs/dbraw/zinc/94/73/41/1350947341.db2.gz ZJQZFXVXAYQZCM-UHFFFAOYSA-N -1 1 330.373 2.360 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001604528488 1350955673 /nfs/dbraw/zinc/95/56/73/1350955673.db2.gz QGLOZXQXONHNRT-UHFFFAOYSA-N -1 1 330.369 2.197 20 0 EEADMM CCc1nc(C)c(CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC001604554721 1350960598 /nfs/dbraw/zinc/96/05/98/1350960598.db2.gz MKGDCNWJUTWXHT-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1nc(C)c(CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC001604554721 1350960601 /nfs/dbraw/zinc/96/06/01/1350960601.db2.gz MKGDCNWJUTWXHT-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)C1 ZINC001604734586 1350993848 /nfs/dbraw/zinc/99/38/48/1350993848.db2.gz VGIAFEOUXSCRGO-AWEZNQCLSA-N -1 1 345.443 2.250 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001604766784 1350999004 /nfs/dbraw/zinc/99/90/04/1350999004.db2.gz MLDNDHPZMLWVCO-JQAFLVLXSA-N -1 1 345.374 2.027 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)CCN1CCC(=O)[O-] ZINC001604784477 1351002439 /nfs/dbraw/zinc/00/24/39/1351002439.db2.gz YSRXUXBXTGSRDM-AWEZNQCLSA-N -1 1 328.412 2.267 20 0 EEADMM CC[C@](C)(NCC(=O)NCc1ccc(COC(C)C)cc1)C(=O)[O-] ZINC001604913379 1351031173 /nfs/dbraw/zinc/03/11/73/1351031173.db2.gz VTYOABJDWPMKGC-SFHVURJKSA-N -1 1 336.432 2.071 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001604975734 1351043674 /nfs/dbraw/zinc/04/36/74/1351043674.db2.gz WZOGMWKSRRBTOM-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001604975734 1351043676 /nfs/dbraw/zinc/04/36/76/1351043676.db2.gz WZOGMWKSRRBTOM-OUAUKWLOSA-N -1 1 330.392 2.285 20 0 EEADMM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1ccc2cncn2c1C ZINC001604987603 1351047285 /nfs/dbraw/zinc/04/72/85/1351047285.db2.gz WOQVLAGRAKTTCO-UHFFFAOYSA-N -1 1 332.356 2.260 20 0 EEADMM CO[C@](C)(C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001604995626 1351048706 /nfs/dbraw/zinc/04/87/06/1351048706.db2.gz OHLLHFWERXNRRR-HNNXBMFYSA-N -1 1 344.400 2.132 20 0 EEADMM CO[C@](C)(C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001604995626 1351048709 /nfs/dbraw/zinc/04/87/09/1351048709.db2.gz OHLLHFWERXNRRR-HNNXBMFYSA-N -1 1 344.400 2.132 20 0 EEADMM CO[C@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CCCCC1 ZINC001605011897 1351054120 /nfs/dbraw/zinc/05/41/20/1351054120.db2.gz GMVVEJMVTCAMFW-OAHLLOKOSA-N -1 1 343.431 2.112 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001605021837 1351057511 /nfs/dbraw/zinc/05/75/11/1351057511.db2.gz VDIUGBYCPYRNDL-OXHMUOHRSA-N -1 1 329.408 2.006 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001605021837 1351057514 /nfs/dbraw/zinc/05/75/14/1351057514.db2.gz VDIUGBYCPYRNDL-OXHMUOHRSA-N -1 1 329.408 2.006 20 0 EEADMM COC[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001605071061 1351071528 /nfs/dbraw/zinc/07/15/28/1351071528.db2.gz AMNNJZVSQJSXAE-MRVPVSSYSA-N -1 1 328.829 2.230 20 0 EEADMM COC[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001605071061 1351071529 /nfs/dbraw/zinc/07/15/29/1351071529.db2.gz AMNNJZVSQJSXAE-MRVPVSSYSA-N -1 1 328.829 2.230 20 0 EEADMM COc1c(F)cc(F)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605155483 1351089954 /nfs/dbraw/zinc/08/99/54/1351089954.db2.gz GMPJLSWEJIAIDK-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM CC[C@H]1CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)[C@@H]1C ZINC001605170404 1351093946 /nfs/dbraw/zinc/09/39/46/1351093946.db2.gz BGWZDBNSRTXAKU-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM COc1ccc(CN(Cc2nc(-c3nnn[n-]3)cs2)C2CC2)cc1 ZINC001605274773 1351122748 /nfs/dbraw/zinc/12/27/48/1351122748.db2.gz BFYJSBJSHWHQGR-UHFFFAOYSA-N -1 1 342.428 2.496 20 0 EEADMM COc1ccc(CN(Cc2nc(-c3nn[n-]n3)cs2)C2CC2)cc1 ZINC001605274773 1351122751 /nfs/dbraw/zinc/12/27/51/1351122751.db2.gz BFYJSBJSHWHQGR-UHFFFAOYSA-N -1 1 342.428 2.496 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cc1F ZINC001605813244 1351227178 /nfs/dbraw/zinc/22/71/78/1351227178.db2.gz ZEAQGAXNASYSEK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1F ZINC001605813244 1351227181 /nfs/dbraw/zinc/22/71/81/1351227181.db2.gz ZEAQGAXNASYSEK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC001605819295 1351228276 /nfs/dbraw/zinc/22/82/76/1351228276.db2.gz VGBFXAKNECFPRW-MAZHCROVSA-N -1 1 334.416 2.188 20 0 EEADMM CCc1ccccc1Nc1nc(N)nc(CN[C@@](C)(CC)C(=O)[O-])n1 ZINC001605834971 1351232413 /nfs/dbraw/zinc/23/24/13/1351232413.db2.gz VVDOQHUKEVVOJA-KRWDZBQOSA-N -1 1 344.419 2.103 20 0 EEADMM Cc1ccc(NCCCc2nc(C(C)C)no2)nc1-c1nnn[n-]1 ZINC001605873660 1351243488 /nfs/dbraw/zinc/24/34/88/1351243488.db2.gz FXWIZWSLFIHTEP-UHFFFAOYSA-N -1 1 328.380 2.121 20 0 EEADMM Cc1ccc(NCCCc2nc(C(C)C)no2)nc1-c1nn[n-]n1 ZINC001605873660 1351243491 /nfs/dbraw/zinc/24/34/91/1351243491.db2.gz FXWIZWSLFIHTEP-UHFFFAOYSA-N -1 1 328.380 2.121 20 0 EEADMM CN(CC(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCc2ccccc2C1 ZINC001606085248 1351268358 /nfs/dbraw/zinc/26/83/58/1351268358.db2.gz OWTMRFRJVMETQA-HNNXBMFYSA-N -1 1 339.395 2.208 20 0 EEADMM CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H](C(=O)[O-])c1cccnc1 ZINC001606115172 1351272887 /nfs/dbraw/zinc/27/28/87/1351272887.db2.gz BRBOTZZLDRAAKB-CVEARBPZSA-N -1 1 341.367 2.165 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606129190 1351275908 /nfs/dbraw/zinc/27/59/08/1351275908.db2.gz GPUYVQLMQIBBDI-QMMMGPOBSA-N -1 1 344.350 2.144 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606129190 1351275909 /nfs/dbraw/zinc/27/59/09/1351275909.db2.gz GPUYVQLMQIBBDI-QMMMGPOBSA-N -1 1 344.350 2.144 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001606139470 1351278220 /nfs/dbraw/zinc/27/82/20/1351278220.db2.gz MKXYMVQKAYLGID-SSDOTTSWSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001606139470 1351278221 /nfs/dbraw/zinc/27/82/21/1351278221.db2.gz MKXYMVQKAYLGID-SSDOTTSWSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1nsc(NCCCn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC001606159840 1351279150 /nfs/dbraw/zinc/27/91/50/1351279150.db2.gz JQZFIPQRKVJVNV-UHFFFAOYSA-N -1 1 340.416 2.484 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC001606165594 1351280110 /nfs/dbraw/zinc/28/01/10/1351280110.db2.gz HSAVUWCERWDZNQ-UHFFFAOYSA-N -1 1 331.282 2.249 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2cc(F)c(F)cc21 ZINC001606165594 1351280112 /nfs/dbraw/zinc/28/01/12/1351280112.db2.gz HSAVUWCERWDZNQ-UHFFFAOYSA-N -1 1 331.282 2.249 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccnc1N1CCCC1 ZINC001606169223 1351280520 /nfs/dbraw/zinc/28/05/20/1351280520.db2.gz GGRITSMYTKAVQP-UHFFFAOYSA-N -1 1 339.359 2.016 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccnc1N1CCCC1 ZINC001606169223 1351280522 /nfs/dbraw/zinc/28/05/22/1351280522.db2.gz GGRITSMYTKAVQP-UHFFFAOYSA-N -1 1 339.359 2.016 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc(C2CC2)cs1 ZINC001606169349 1351280755 /nfs/dbraw/zinc/28/07/55/1351280755.db2.gz UOJXSFXUSXRKCI-UHFFFAOYSA-N -1 1 330.373 2.032 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc(C2CC2)cs1 ZINC001606169349 1351280758 /nfs/dbraw/zinc/28/07/58/1351280758.db2.gz UOJXSFXUSXRKCI-UHFFFAOYSA-N -1 1 330.373 2.032 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC001606180076 1351282334 /nfs/dbraw/zinc/28/23/34/1351282334.db2.gz YBNMJPYQYLUGKK-MNOVXSKESA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001606180076 1351282338 /nfs/dbraw/zinc/28/23/38/1351282338.db2.gz YBNMJPYQYLUGKK-MNOVXSKESA-N -1 1 332.408 2.037 20 0 EEADMM Clc1ccc(C2(CNc3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001606189560 1351283623 /nfs/dbraw/zinc/28/36/23/1351283623.db2.gz CTLUDRTYKHAQJW-UHFFFAOYSA-N -1 1 326.791 2.481 20 0 EEADMM Clc1ccc(C2(CNc3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001606189560 1351283625 /nfs/dbraw/zinc/28/36/25/1351283625.db2.gz CTLUDRTYKHAQJW-UHFFFAOYSA-N -1 1 326.791 2.481 20 0 EEADMM COC(=O)c1cc(CN[C@H](CO)c2ccsc2)cc(C(=O)[O-])c1 ZINC001606543833 1351320730 /nfs/dbraw/zinc/32/07/30/1351320730.db2.gz JUCVKJFQYDCHKI-CQSZACIVSA-N -1 1 335.381 2.056 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cnc2c(F)cccc2c1 ZINC001606596789 1351329296 /nfs/dbraw/zinc/32/92/96/1351329296.db2.gz WIIGCGCIAAYSGL-UHFFFAOYSA-N -1 1 349.329 2.130 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cnc2c(F)cccc2c1 ZINC001606596789 1351329298 /nfs/dbraw/zinc/32/92/98/1351329298.db2.gz WIIGCGCIAAYSGL-UHFFFAOYSA-N -1 1 349.329 2.130 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cccc3nc(C)[nH]c32)C(=O)[O-])C1 ZINC001606744316 1351350707 /nfs/dbraw/zinc/35/07/07/1351350707.db2.gz YOVYMBQIEZUDIC-ZOWXZIJZSA-N -1 1 345.399 2.260 20 0 EEADMM O=C(NCc1cc2ccccc2[nH]1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606817684 1351359983 /nfs/dbraw/zinc/35/99/83/1351359983.db2.gz GBQFGFVUIADZNA-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1cc2ccccc2[nH]1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606817684 1351359984 /nfs/dbraw/zinc/35/99/84/1351359984.db2.gz GBQFGFVUIADZNA-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM COC[C@]1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCCCN1 ZINC001606824598 1351361441 /nfs/dbraw/zinc/36/14/41/1351361441.db2.gz RCLCZMHFBUTPEO-HNNXBMFYSA-N -1 1 344.770 2.275 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001606830690 1351363164 /nfs/dbraw/zinc/36/31/64/1351363164.db2.gz ABICNRCYKGLFIZ-WBMJQRKESA-N -1 1 343.387 2.429 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606888694 1351369925 /nfs/dbraw/zinc/36/99/25/1351369925.db2.gz XORQPMABMJICCH-XYPYZODXSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606888694 1351369927 /nfs/dbraw/zinc/36/99/27/1351369927.db2.gz XORQPMABMJICCH-XYPYZODXSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606915346 1351375537 /nfs/dbraw/zinc/37/55/37/1351375537.db2.gz KFZJDNFRVIOQAG-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606915346 1351375539 /nfs/dbraw/zinc/37/55/39/1351375539.db2.gz KFZJDNFRVIOQAG-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(-c2nn[nH]n2)ccc1F ZINC001606923936 1351377382 /nfs/dbraw/zinc/37/73/82/1351377382.db2.gz ZETXGFJEHQTEDL-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)o1 ZINC001606973510 1351388993 /nfs/dbraw/zinc/38/89/93/1351388993.db2.gz IBEGRFOOJOEPMK-UHFFFAOYSA-N -1 1 337.295 2.472 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001607017562 1351398440 /nfs/dbraw/zinc/39/84/40/1351398440.db2.gz XIWZESZISIEZAW-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001607017562 1351398442 /nfs/dbraw/zinc/39/84/42/1351398442.db2.gz XIWZESZISIEZAW-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC001607025144 1351399419 /nfs/dbraw/zinc/39/94/19/1351399419.db2.gz BCOFFENJQYCIDB-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(Cc1cccc(F)c1)C1CC1 ZINC001607025144 1351399421 /nfs/dbraw/zinc/39/94/21/1351399421.db2.gz BCOFFENJQYCIDB-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCOC2CC2)c2ccc(Cl)cc12 ZINC001607091494 1351414392 /nfs/dbraw/zinc/41/43/92/1351414392.db2.gz GXPSYUCSLUBYSU-UHFFFAOYSA-N -1 1 331.763 2.014 20 0 EEADMM c1ccc2c(c1)[nH]c1c2CCN(Cc2cccc(-c3nnn[n-]3)n2)C1 ZINC001607118960 1351426729 /nfs/dbraw/zinc/42/67/29/1351426729.db2.gz XYIYMIPOCZOHMA-UHFFFAOYSA-N -1 1 331.383 2.301 20 0 EEADMM c1ccc2c(c1)[nH]c1c2CCN(Cc2cccc(-c3nn[n-]n3)n2)C1 ZINC001607118960 1351426731 /nfs/dbraw/zinc/42/67/31/1351426731.db2.gz XYIYMIPOCZOHMA-UHFFFAOYSA-N -1 1 331.383 2.301 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1cc(-c2ccccc2)no1 ZINC001607124469 1351428794 /nfs/dbraw/zinc/42/87/94/1351428794.db2.gz MTELKHVRBBQDAU-UHFFFAOYSA-N -1 1 332.327 2.019 20 0 EEADMM c1cc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)oc1-c1nn[n-]n1 ZINC001607125543 1351429070 /nfs/dbraw/zinc/42/90/70/1351429070.db2.gz ZPSBHXZIYNKIGU-UHFFFAOYSA-N -1 1 348.282 2.227 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607127136 1351430224 /nfs/dbraw/zinc/43/02/24/1351430224.db2.gz SSQQWMWFBIBKAN-CJNGLKHVSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607127136 1351430226 /nfs/dbraw/zinc/43/02/26/1351430226.db2.gz SSQQWMWFBIBKAN-CJNGLKHVSA-N -1 1 336.399 2.263 20 0 EEADMM c1cn(Cc2ccccc2)nc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001607130378 1351432130 /nfs/dbraw/zinc/43/21/30/1351432130.db2.gz RPQQXYAVVNMNKH-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cn(Cc2ccccc2)nc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001607130378 1351432132 /nfs/dbraw/zinc/43/21/32/1351432132.db2.gz RPQQXYAVVNMNKH-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM COc1cc(F)cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001607170219 1351442640 /nfs/dbraw/zinc/44/26/40/1351442640.db2.gz BEMNWTZAPFVORB-MRXNPFEDSA-N -1 1 335.331 2.464 20 0 EEADMM COc1ccc([C@H](CCO)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001607224229 1351452909 /nfs/dbraw/zinc/45/29/09/1351452909.db2.gz IJOZWZMBKPOYKR-GJZGRUSLSA-N -1 1 345.399 2.138 20 0 EEADMM COc1ccc(NC(=O)c2cc3c(s2)CCNC3)c(C(=O)[O-])c1 ZINC001607275739 1351463275 /nfs/dbraw/zinc/46/32/75/1351463275.db2.gz LUNAZKYFNHUJOV-UHFFFAOYSA-N -1 1 332.381 2.353 20 0 EEADMM COc1ccc2nc(S[C@H]3CCCN(CCC(=O)[O-])C3=O)[nH]c2c1 ZINC001607302601 1351468611 /nfs/dbraw/zinc/46/86/11/1351468611.db2.gz KBNXMCJNQBGBQW-ZDUSSCGKSA-N -1 1 349.412 2.129 20 0 EEADMM COc1cccc([C@@H](N)C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607313680 1351471521 /nfs/dbraw/zinc/47/15/21/1351471521.db2.gz QVSQKEVRTCQQSI-GOEBONIOSA-N -1 1 334.416 2.092 20 0 EEADMM CSCc1cnc(CN(CCC(=O)[O-])C2CCOCC2)s1 ZINC001607401445 1351488000 /nfs/dbraw/zinc/48/80/00/1351488000.db2.gz DXSJWAPQMFIGRF-UHFFFAOYSA-N -1 1 330.475 2.462 20 0 EEADMM C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC001607463333 1351497681 /nfs/dbraw/zinc/49/76/81/1351497681.db2.gz INVGNIGWLFSEFE-CABZTGNLSA-N -1 1 328.206 2.493 20 0 EEADMM C[C@H]1CC[C@@H](CO)N1Cc1ccc(C(=O)[O-])cc1Br ZINC001607463333 1351497686 /nfs/dbraw/zinc/49/76/86/1351497686.db2.gz INVGNIGWLFSEFE-CABZTGNLSA-N -1 1 328.206 2.493 20 0 EEADMM Cc1oc(S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC001608056624 1351615884 /nfs/dbraw/zinc/61/58/84/1351615884.db2.gz AJPAOXWGTARTKM-VIFPVBQESA-N -1 1 329.296 2.151 20 0 EEADMM NC(=O)Cc1cccc2c1CCN(Cc1csc(C(=O)[O-])c1)C2 ZINC001608236778 1351653697 /nfs/dbraw/zinc/65/36/97/1351653697.db2.gz DUMJQXOTFVSCNH-UHFFFAOYSA-N -1 1 330.409 2.032 20 0 EEADMM N[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC001608249762 1351656584 /nfs/dbraw/zinc/65/65/84/1351656584.db2.gz XJPIQVBXAQBKRU-LBPRGKRZSA-N -1 1 344.333 2.466 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3cccnc3Cl)[nH]c21 ZINC001608368620 1351680458 /nfs/dbraw/zinc/68/04/58/1351680458.db2.gz WZYZMHCDYRHFJD-UHFFFAOYSA-N -1 1 330.731 2.491 20 0 EEADMM Cn1c(=O)c2sccc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000026103071 1352370069 /nfs/dbraw/zinc/37/00/69/1352370069.db2.gz SZPLVEAXMAQFRT-UHFFFAOYSA-N -1 1 348.405 2.381 20 0 EEADMM O=C(c1cc(F)ccc1[O-])N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001627528538 1352500108 /nfs/dbraw/zinc/50/01/08/1352500108.db2.gz WKVJQWHBCPBQQU-QGZVFWFLSA-N -1 1 338.342 2.437 20 0 EEADMM CN(C)c1nccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001637315353 1352676747 /nfs/dbraw/zinc/67/67/47/1352676747.db2.gz HXQRLFUSPFYSIP-UHFFFAOYSA-N -1 1 338.367 2.037 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2cn(C)nc2C)c1 ZINC001645735511 1352798399 /nfs/dbraw/zinc/79/83/99/1352798399.db2.gz FEAKLXOFAHATGV-UHFFFAOYSA-N -1 1 330.384 2.355 20 0 EEADMM Cn1ncc(C2CC2)c1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC001646228324 1352822692 /nfs/dbraw/zinc/82/26/92/1352822692.db2.gz RDRUSJVIDDFYKR-UHFFFAOYSA-N -1 1 329.404 2.029 20 0 EEADMM CC(C)COc1ccc(C2(C(=O)N(C)c3nn[n-]n3)CCC2)cc1 ZINC001647398570 1353262173 /nfs/dbraw/zinc/26/21/73/1353262173.db2.gz IMLUQIUYPNWSCH-UHFFFAOYSA-N -1 1 329.404 2.319 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(-n2cnnn2)cc1 ZINC001648432283 1353429379 /nfs/dbraw/zinc/42/93/79/1353429379.db2.gz DIGUSDNKJZGREE-UHFFFAOYSA-N -1 1 329.747 2.203 20 0 EEADMM C[C@@H]1CCCN(C(=O)CCNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001650604986 1354018664 /nfs/dbraw/zinc/01/86/64/1354018664.db2.gz NOTUPXJESMCISB-CYBMUJFWSA-N -1 1 341.411 2.319 20 0 EEADMM O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1c[n-][nH]c1=O ZINC001654603525 1354153883 /nfs/dbraw/zinc/15/38/83/1354153883.db2.gz RRBYFAIBMHZMNB-UHFFFAOYSA-N -1 1 336.351 2.401 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001388433841 1387459132 /nfs/dbraw/zinc/45/91/32/1387459132.db2.gz QJLQVOOCQJHWAB-UONOGXRCSA-N -1 1 347.459 2.486 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001388739596 1387688126 /nfs/dbraw/zinc/68/81/26/1387688126.db2.gz OCAWIHDHSPCRKJ-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@@H](CC)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001388943868 1387824981 /nfs/dbraw/zinc/82/49/81/1387824981.db2.gz TXUYJXXNJOJHLD-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1cc2c(COC(=O)c3cnnn3CC)cc(=O)oc2cc1[O-] ZINC000815528023 1368028340 /nfs/dbraw/zinc/02/83/40/1368028340.db2.gz ZSVABVNNAIHUNX-UHFFFAOYSA-N -1 1 343.339 2.029 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)c1 ZINC001185744973 1368166455 /nfs/dbraw/zinc/16/64/55/1368166455.db2.gz QJGVNEASGPQQBH-UHFFFAOYSA-N -1 1 328.250 2.171 20 0 EEADMM CC(=O)Oc1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1C ZINC001189386993 1368351095 /nfs/dbraw/zinc/35/10/95/1368351095.db2.gz CBGXEIVHCRNYMW-UHFFFAOYSA-N -1 1 328.250 2.310 20 0 EEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC001201108970 1368781767 /nfs/dbraw/zinc/78/17/67/1368781767.db2.gz QXCSJYIKIFSZKK-UHFFFAOYSA-N -1 1 345.327 2.007 20 0 EEADMM COCc1ccccc1OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC000867386466 1368807811 /nfs/dbraw/zinc/80/78/11/1368807811.db2.gz UEIKWHJKQOUZOU-UHFFFAOYSA-N -1 1 336.291 2.343 20 0 EEADMM CCC[C@H](OCC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000862145988 1369520968 /nfs/dbraw/zinc/52/09/68/1369520968.db2.gz RWOCGAHQZATNPC-UTUOFQBUSA-N -1 1 338.370 2.250 20 0 EEADMM Cc1cccc(O)c1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000862146402 1369521189 /nfs/dbraw/zinc/52/11/89/1369521189.db2.gz ZLNLPYWGEBBDLQ-GHMZBOCLSA-N -1 1 344.333 2.372 20 0 EEADMM Cc1cccc(-c2ccc(C(=O)N3CCC[C@@H]3c3nn[n-]n3)n2C)c1 ZINC000900391890 1369923026 /nfs/dbraw/zinc/92/30/26/1369923026.db2.gz WFFUTQBJTZLSHZ-OAHLLOKOSA-N -1 1 336.399 2.491 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccnc(C(=O)[O-])c2)n[nH]1 ZINC000846703519 1369967721 /nfs/dbraw/zinc/96/77/21/1369967721.db2.gz KVCWARAHTJZDGX-ZDUSSCGKSA-N -1 1 343.387 2.389 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CC(C)(C)C1CC1 ZINC001071952072 1370585767 /nfs/dbraw/zinc/58/57/67/1370585767.db2.gz HIFWSZKSBXMKSY-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc(CCC(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001389420386 1388112712 /nfs/dbraw/zinc/11/27/12/1388112712.db2.gz VGIIQCTWQHNFRN-NSHDSACASA-N -1 1 347.440 2.024 20 0 EEADMM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001389443393 1388123936 /nfs/dbraw/zinc/12/39/36/1388123936.db2.gz JBPVABWDMLBXSM-UWVGGRQHSA-N -1 1 347.337 2.000 20 0 EEADMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000782518040 1371307333 /nfs/dbraw/zinc/30/73/33/1371307333.db2.gz SWHJULBRYCCLDM-ZETCQYMHSA-N -1 1 333.763 2.329 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC2CCN(CC(F)(F)F)CC2)[n-]1 ZINC000796872385 1371478229 /nfs/dbraw/zinc/47/82/29/1371478229.db2.gz AIKWPJDOZPTAFW-UHFFFAOYSA-N -1 1 348.321 2.232 20 0 EEADMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116470130 1371726442 /nfs/dbraw/zinc/72/64/42/1371726442.db2.gz MEXDNRZWMVOQBR-NSHDSACASA-N -1 1 327.233 2.218 20 0 EEADMM O=S(=O)([N-][C@@H]1C[C@@H]1c1c(F)cccc1F)c1c[nH]nc1Cl ZINC000830539602 1372333342 /nfs/dbraw/zinc/33/33/42/1372333342.db2.gz KBLBJKLZURPZMG-IMTBSYHQSA-N -1 1 333.747 2.176 20 0 EEADMM CC[C@@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000831135497 1372367195 /nfs/dbraw/zinc/36/71/95/1372367195.db2.gz YKPRLQOJEIMUKZ-CYBMUJFWSA-N -1 1 346.324 2.456 20 0 EEADMM CCOC(=O)c1cn2c(n1)CN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001140990948 1372730938 /nfs/dbraw/zinc/73/09/38/1372730938.db2.gz FHOOUJQFTFEYTP-UHFFFAOYSA-N -1 1 337.326 2.059 20 0 EEADMM CC(C)(C)OC(=O)CN1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140991293 1372731936 /nfs/dbraw/zinc/73/19/36/1372731936.db2.gz KETWYPAKFJHTJF-UHFFFAOYSA-N -1 1 342.386 2.130 20 0 EEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(O)c(N)c3)cc2)o1 ZINC001203100543 1372768587 /nfs/dbraw/zinc/76/85/87/1372768587.db2.gz VMNHBQLYXNDRPU-UHFFFAOYSA-N -1 1 346.368 2.134 20 0 EEADMM Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000837180724 1372772182 /nfs/dbraw/zinc/77/21/82/1372772182.db2.gz KSCRMXDACQYXPN-GXFFZTMASA-N -1 1 335.791 2.429 20 0 EEADMM COC(=O)c1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c[nH]1 ZINC001141538720 1372872712 /nfs/dbraw/zinc/87/27/12/1372872712.db2.gz UOYLQLLYZCEIJN-UHFFFAOYSA-N -1 1 326.312 2.149 20 0 EEADMM COc1ccc2c(c1)CCCN2C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000839074999 1372889866 /nfs/dbraw/zinc/88/98/66/1372889866.db2.gz QLUUYKIYAGUILL-UHFFFAOYSA-N -1 1 337.383 2.335 20 0 EEADMM CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)[N-]OCC(C)(C)O)CC1=O ZINC000839742409 1372913131 /nfs/dbraw/zinc/91/31/31/1372913131.db2.gz WFTQUORFVMJWNT-KGLIPLIRSA-N -1 1 348.443 2.372 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CC(c3ccccc3C)=NO2)n1 ZINC001361649590 1373322598 /nfs/dbraw/zinc/32/25/98/1373322598.db2.gz KJXYWYSNLCGACU-AWEZNQCLSA-N -1 1 342.355 2.027 20 0 EEADMM COC(=O)CCN(Cc1ccncc1)C(=O)c1cccc([O-])c1F ZINC001362235900 1373380281 /nfs/dbraw/zinc/38/02/81/1373380281.db2.gz RQBKATPRRVQTPA-UHFFFAOYSA-N -1 1 332.331 2.132 20 0 EEADMM CC(C)[C@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001362626412 1373439448 /nfs/dbraw/zinc/43/94/48/1373439448.db2.gz KHSMQVSHJGZNQK-UFBFGSQYSA-N -1 1 325.775 2.490 20 0 EEADMM COc1cc(C(=O)Nc2cccc([O-])c2Br)nn1C ZINC001362717398 1373454098 /nfs/dbraw/zinc/45/40/98/1373454098.db2.gz PWRVFZABBHPWOI-UHFFFAOYSA-N -1 1 326.150 2.149 20 0 EEADMM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC001363984421 1373566960 /nfs/dbraw/zinc/56/69/60/1373566960.db2.gz YTZLYSWULLNSFI-RYUDHWBXSA-N -1 1 329.418 2.479 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccc(Cl)cn2)cc(=O)[n-]1 ZINC001365179468 1373678579 /nfs/dbraw/zinc/67/85/79/1373678579.db2.gz XPZCJLOSSBNQTA-UHFFFAOYSA-N -1 1 325.781 2.274 20 0 EEADMM CSc1nc(CNC(=O)Nc2noc3c2CCCC3)cc(=O)[n-]1 ZINC001365539382 1373733023 /nfs/dbraw/zinc/73/30/23/1373733023.db2.gz QZHTTXQCNIJBSJ-UHFFFAOYSA-N -1 1 335.389 2.093 20 0 EEADMM O=C(NCCC1CCN(Cc2cscn2)CC1)c1ncccc1[O-] ZINC001367206827 1374127528 /nfs/dbraw/zinc/12/75/28/1374127528.db2.gz HRYHOMVYEADNES-UHFFFAOYSA-N -1 1 346.456 2.276 20 0 EEADMM Cc1sccc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001372377400 1375970337 /nfs/dbraw/zinc/97/03/37/1375970337.db2.gz FWVGNPMPBHXHSJ-CYBMUJFWSA-N -1 1 345.424 2.096 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccn1C(C)C ZINC001375061026 1377329098 /nfs/dbraw/zinc/32/90/98/1377329098.db2.gz RXQRPYRTHRHJFU-ZDUSSCGKSA-N -1 1 344.415 2.108 20 0 EEADMM CC1(C(=O)N2CC[C@](C)(CNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001379890396 1380932890 /nfs/dbraw/zinc/93/28/90/1380932890.db2.gz ZHRACDDRVWYGPM-GOSISDBHSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)c2ccoc2)C1 ZINC001380020692 1381001982 /nfs/dbraw/zinc/00/19/82/1381001982.db2.gz DJDZKLHULJGIJB-GOSISDBHSA-N -1 1 343.383 2.053 20 0 EEADMM Cc1csc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001380690651 1381340893 /nfs/dbraw/zinc/34/08/93/1381340893.db2.gz FXSGDKKTMWELES-NSHDSACASA-N -1 1 333.413 2.048 20 0 EEADMM C[C@@H](CNC(=O)C1(C)CCCCC1)N(C)C(=O)c1ncccc1[O-] ZINC001380892502 1381424653 /nfs/dbraw/zinc/42/46/53/1381424653.db2.gz GCKHKRQOMBWFFB-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1cccc(CN2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC001381079311 1381503188 /nfs/dbraw/zinc/50/31/88/1381503188.db2.gz RSZUGFQCPRJSLJ-UHFFFAOYSA-N -1 1 325.412 2.308 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cccc(C2CCC2)c1)NCc1n[nH]c(=O)[n-]1 ZINC001382159352 1382015377 /nfs/dbraw/zinc/01/53/77/1382015377.db2.gz WJPGTTWXJGGBOY-LBPRGKRZSA-N -1 1 343.431 2.028 20 0 EEADMM Cc1cccc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])c1C ZINC001383114469 1382372990 /nfs/dbraw/zinc/37/29/90/1382372990.db2.gz GIKAFDRQAZCBCB-CYBMUJFWSA-N -1 1 341.411 2.295 20 0 EEADMM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001383499974 1382514270 /nfs/dbraw/zinc/51/42/70/1382514270.db2.gz LKXUVILGJOPUTD-UONOGXRCSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384163399 1382835819 /nfs/dbraw/zinc/83/58/19/1382835819.db2.gz PYSOMWUTJPCVAX-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384941928 1385319618 /nfs/dbraw/zinc/31/96/18/1385319618.db2.gz AHSMYSPFBAQWCV-SOUVJXGZSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001385636193 1385732403 /nfs/dbraw/zinc/73/24/03/1385732403.db2.gz HXSOVDWSRGEQAE-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])[C@@H]1CC12CC2 ZINC001391475879 1389384258 /nfs/dbraw/zinc/38/42/58/1389384258.db2.gz CLENROZXFJMUMB-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H](CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001394873675 1390763049 /nfs/dbraw/zinc/76/30/49/1390763049.db2.gz HMWBDBKMGJUWLA-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CC1 ZINC001395019966 1390773586 /nfs/dbraw/zinc/77/35/86/1390773586.db2.gz ORWICGZULRSZQM-UHFFFAOYSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCC1 ZINC001396119965 1390906857 /nfs/dbraw/zinc/90/68/57/1390906857.db2.gz AXCCLGSSIASKBO-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC/C(Cl)=C\Cl)c1[O-] ZINC001398761593 1394178342 /nfs/dbraw/zinc/17/83/42/1394178342.db2.gz VHWLESDKSDEWBZ-CDCCAWJDSA-N -1 1 347.246 2.327 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCCC1(C)C ZINC001399361593 1395006894 /nfs/dbraw/zinc/00/68/94/1395006894.db2.gz ZDUVCAJFHCRTGP-CHWSQXEVSA-N -1 1 333.432 2.096 20 0 EEADMM CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC001399759921 1395492011 /nfs/dbraw/zinc/49/20/11/1395492011.db2.gz VFDUQYJBUYRITL-KGLIPLIRSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@]1(CNC(=O)CCC2CCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400965935 1396769136 /nfs/dbraw/zinc/76/91/36/1396769136.db2.gz PSUYULAIDCQXJT-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CN[C@@H](C)c2cc(F)ccc2F)c1[O-] ZINC001401679848 1397511379 /nfs/dbraw/zinc/51/13/79/1397511379.db2.gz RMJKDZCINSYUSK-IUCAKERBSA-N -1 1 338.358 2.171 20 0 EEADMM CCC(C)(CC)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423532671 1400625247 /nfs/dbraw/zinc/62/52/47/1400625247.db2.gz HHQJIPXTLZKWGM-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM Cc1ccc(C(=O)NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])o1 ZINC001423995647 1400859301 /nfs/dbraw/zinc/85/93/01/1400859301.db2.gz JZONGUCFLBMZHU-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM COc1ccncc1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001424111443 1400917156 /nfs/dbraw/zinc/91/71/56/1400917156.db2.gz DSLHSRBHYHFIGE-UHFFFAOYSA-N -1 1 328.340 2.155 20 0 EEADMM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001424235538 1400984772 /nfs/dbraw/zinc/98/47/72/1400984772.db2.gz CFLTXOPCLRCLPZ-NEPJUHHUSA-N -1 1 343.449 2.081 20 0 EEADMM C[C@@H](CN(C)C(=O)C1(C)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001425226697 1401515563 /nfs/dbraw/zinc/51/55/63/1401515563.db2.gz GVPPFRNPTRKNBV-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C(C)C ZINC001426845301 1402224058 /nfs/dbraw/zinc/22/40/58/1402224058.db2.gz YGCCSJSIXJOWSF-KFWWJZLASA-N -1 1 347.459 2.484 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)CCC1CCCC1 ZINC001429011084 1402873155 /nfs/dbraw/zinc/87/31/55/1402873155.db2.gz AITUPGPGMLZXFU-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCCC[C@@H](C)C(=O)NCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001431223625 1403003195 /nfs/dbraw/zinc/00/31/95/1403003195.db2.gz KUHDZYCUUZOQRG-GFCCVEGCSA-N -1 1 348.447 2.074 20 0 EEADMM CCC(CC)(NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1nn[n-]n1 ZINC001433969843 1403452044 /nfs/dbraw/zinc/45/20/44/1403452044.db2.gz WBWWGSCXKFHQPB-PBHICJAKSA-N -1 1 325.416 2.235 20 0 EEADMM CC(C)C(C)(C)CS(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573996595 1403518811 /nfs/dbraw/zinc/51/88/11/1403518811.db2.gz VQYPDERREIZVKD-UHFFFAOYSA-N -1 1 343.478 2.030 20 0 EEADMM CC[C@@H](C)c1nnc(N(C)CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576682752 1403596639 /nfs/dbraw/zinc/59/66/39/1403596639.db2.gz GIDIIICGHNVQGB-SNVBAGLBSA-N -1 1 330.396 2.069 20 0 EEADMM CC[C@@H](C)c1nnc(N(C)CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576682752 1403596644 /nfs/dbraw/zinc/59/66/44/1403596644.db2.gz GIDIIICGHNVQGB-SNVBAGLBSA-N -1 1 330.396 2.069 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)[C@@H]1OC ZINC001577111902 1403623848 /nfs/dbraw/zinc/62/38/48/1403623848.db2.gz ZAMKGCOJSNQRHN-WQAKAFBOSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)[C@@H]1OC ZINC001577111902 1403623854 /nfs/dbraw/zinc/62/38/54/1403623854.db2.gz ZAMKGCOJSNQRHN-WQAKAFBOSA-N -1 1 349.460 2.498 20 0 EEADMM O=C(C=Cc1ccc2c(c1)OCO2)OCC(=O)c1ccc([O-])cc1O ZINC000018268999 1403698542 /nfs/dbraw/zinc/69/85/42/1403698542.db2.gz KWDDKPGPHYEECH-QHHAFSJGSA-N -1 1 342.303 2.266 20 0 EEADMM COc1cccc(C(C)=CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580060570 1403816603 /nfs/dbraw/zinc/81/66/03/1403816603.db2.gz ATPQEHNLBBNPTD-PKNBQFBNSA-N -1 1 336.355 2.312 20 0 EEADMM COc1cccc(C(C)=CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580060570 1403816614 /nfs/dbraw/zinc/81/66/14/1403816614.db2.gz ATPQEHNLBBNPTD-PKNBQFBNSA-N -1 1 336.355 2.312 20 0 EEADMM Cc1ccc(F)cc1Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001581207699 1403877575 /nfs/dbraw/zinc/87/75/75/1403877575.db2.gz ZUXXOPABZKHLSP-UHFFFAOYSA-N -1 1 325.347 2.013 20 0 EEADMM CCCC[C@@H](COC)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590581492 1403887988 /nfs/dbraw/zinc/88/79/88/1403887988.db2.gz JFMQTIUKJMFOEU-JTQLQIEISA-N -1 1 339.346 2.080 20 0 EEADMM CCCC[C@@H](COC)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590581492 1403887992 /nfs/dbraw/zinc/88/79/92/1403887992.db2.gz JFMQTIUKJMFOEU-JTQLQIEISA-N -1 1 339.346 2.080 20 0 EEADMM COCC1(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)CCCCC1 ZINC001591388517 1403909258 /nfs/dbraw/zinc/90/92/58/1403909258.db2.gz CFHITHHGDUGIAQ-UHFFFAOYSA-N -1 1 333.392 2.095 20 0 EEADMM COCC1(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)CCCCC1 ZINC001591388517 1403909263 /nfs/dbraw/zinc/90/92/63/1403909263.db2.gz CFHITHHGDUGIAQ-UHFFFAOYSA-N -1 1 333.392 2.095 20 0 EEADMM COc1cccc(CN(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001591637892 1403931572 /nfs/dbraw/zinc/93/15/72/1403931572.db2.gz GTOCAFOIFVWFII-UHFFFAOYSA-N -1 1 337.387 2.179 20 0 EEADMM COc1cccc(CN(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001591637892 1403931588 /nfs/dbraw/zinc/93/15/88/1403931588.db2.gz GTOCAFOIFVWFII-UHFFFAOYSA-N -1 1 337.387 2.179 20 0 EEADMM C[C@@H]1C[C@@H](NCc2nc(-c3nnn[n-]3)cs2)c2ccccc2O1 ZINC001591752584 1403943372 /nfs/dbraw/zinc/94/33/72/1403943372.db2.gz SLLIGELXDWLCGI-MWLCHTKSSA-N -1 1 328.401 2.325 20 0 EEADMM C[C@@H]1C[C@@H](NCc2nc(-c3nn[n-]n3)cs2)c2ccccc2O1 ZINC001591752584 1403943377 /nfs/dbraw/zinc/94/33/77/1403943377.db2.gz SLLIGELXDWLCGI-MWLCHTKSSA-N -1 1 328.401 2.325 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2ccc(Cl)cc2)nn1C ZINC001591796455 1403950166 /nfs/dbraw/zinc/95/01/66/1403950166.db2.gz LNNSFLZKDDFXOX-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2ccc(Cl)cc2)nn1C ZINC001591796455 1403950180 /nfs/dbraw/zinc/95/01/80/1403950180.db2.gz LNNSFLZKDDFXOX-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001591846296 1403963701 /nfs/dbraw/zinc/96/37/01/1403963701.db2.gz IOFBTZLFRNHTFY-MEBBXXQBSA-N -1 1 329.404 2.169 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2COc3c2cccc3Cl)n1 ZINC001591894079 1403968984 /nfs/dbraw/zinc/96/89/84/1403968984.db2.gz YVKNUUQTIZFGLQ-LLVKDONJSA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2COc3c2cccc3Cl)n1 ZINC001591894079 1403968997 /nfs/dbraw/zinc/96/89/97/1403968997.db2.gz YVKNUUQTIZFGLQ-LLVKDONJSA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC001591889252 1403970260 /nfs/dbraw/zinc/97/02/60/1403970260.db2.gz RVHJRAWPNFOQBL-NWANDNLSSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC001591889252 1403970264 /nfs/dbraw/zinc/97/02/64/1403970264.db2.gz RVHJRAWPNFOQBL-NWANDNLSSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591977263 1403979209 /nfs/dbraw/zinc/97/92/09/1403979209.db2.gz QMENOXVXJFQLHN-UHFFFAOYSA-N -1 1 340.748 2.189 20 0 EEADMM Cc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)c2c1CCC2 ZINC001592133890 1404003422 /nfs/dbraw/zinc/00/34/22/1404003422.db2.gz ZPLZBDYMUAUZCI-UHFFFAOYSA-N -1 1 335.367 2.416 20 0 EEADMM Cc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)c2c1CCC2 ZINC001592133890 1404003428 /nfs/dbraw/zinc/00/34/28/1404003428.db2.gz ZPLZBDYMUAUZCI-UHFFFAOYSA-N -1 1 335.367 2.416 20 0 EEADMM Cc1nsc(Nc2ccc(OC3COC3)cc2)c1-c1nn[n-]n1 ZINC001592493952 1404703297 /nfs/dbraw/zinc/70/32/97/1404703297.db2.gz DLLJMHVLENGWRH-UHFFFAOYSA-N -1 1 330.373 2.153 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc2ccc(O)cc21 ZINC001592915861 1404729065 /nfs/dbraw/zinc/72/90/65/1404729065.db2.gz SYAZWIUCYLRPMR-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc2ccc(O)cc21 ZINC001592915861 1404729067 /nfs/dbraw/zinc/72/90/67/1404729067.db2.gz SYAZWIUCYLRPMR-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC001592915227 1404729258 /nfs/dbraw/zinc/72/92/58/1404729258.db2.gz GMMPCPDQTXTTRX-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC001592915227 1404729260 /nfs/dbraw/zinc/72/92/60/1404729260.db2.gz GMMPCPDQTXTTRX-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593104258 1404743980 /nfs/dbraw/zinc/74/39/80/1404743980.db2.gz RKVUDCWWLPWBIR-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593104258 1404743988 /nfs/dbraw/zinc/74/39/88/1404743988.db2.gz RKVUDCWWLPWBIR-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700230 1404750505 /nfs/dbraw/zinc/75/05/05/1404750505.db2.gz NYAJWWHAXNWKKK-INIZCTEOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(N2CCO[C@H](c3ccc(F)cc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700230 1404750508 /nfs/dbraw/zinc/75/05/08/1404750508.db2.gz NYAJWWHAXNWKKK-INIZCTEOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001606175243 1404772774 /nfs/dbraw/zinc/77/27/74/1404772774.db2.gz CBEUKPMCDRYAAW-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001606175243 1404772779 /nfs/dbraw/zinc/77/27/79/1404772779.db2.gz CBEUKPMCDRYAAW-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM FC(F)c1nc2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc2s1 ZINC001606300136 1404782206 /nfs/dbraw/zinc/78/22/06/1404782206.db2.gz LVCKKTDAZDGXDO-UHFFFAOYSA-N -1 1 346.326 2.370 20 0 EEADMM CNc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC001606310310 1404785920 /nfs/dbraw/zinc/78/59/20/1404785920.db2.gz OEYRKUJIUOIRPY-NSHDSACASA-N -1 1 339.823 2.003 20 0 EEADMM COC(=O)/C(C)=C/CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001606320048 1404791702 /nfs/dbraw/zinc/79/17/02/1404791702.db2.gz CJBIYMIREXTXJZ-PPGNKHEKSA-N -1 1 327.764 2.183 20 0 EEADMM CCn1ncc(C(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)n1 ZINC001644270683 1404818069 /nfs/dbraw/zinc/81/80/69/1404818069.db2.gz YLIWAOHVRHHNAZ-UHFFFAOYSA-N -1 1 341.396 2.436 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C[C@H]1CC=CCC1 ZINC001756021513 1408083775 /nfs/dbraw/zinc/08/37/75/1408083775.db2.gz RPQTUQHITVOJPY-KBPBESRZSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@H]1C=CCCC1 ZINC001756445387 1408504133 /nfs/dbraw/zinc/50/41/33/1408504133.db2.gz LVMUISOCBGBBBT-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM Cc1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)n[nH]c1C(F)(F)F ZINC001772380067 1410159298 /nfs/dbraw/zinc/15/92/98/1410159298.db2.gz LELGRPYPKWRSKI-MRVPVSSYSA-N -1 1 331.294 2.064 20 0 EEADMM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(C(=O)[O-])cs1 ZINC000872159933 1410379684 /nfs/dbraw/zinc/37/96/84/1410379684.db2.gz UMPXMJFYCOTCJZ-QLFBSQMISA-N -1 1 325.430 2.462 20 0 EEADMM 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Cc1[nH]ncc1C1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000911594731 787559486 /nfs/dbraw/zinc/55/94/86/787559486.db2.gz NTPDGJZSQRKROV-UHFFFAOYSA-N -1 1 343.383 2.201 20 0 EEADMM O=C([O-])c1cccc(NC2CCN(C(=O)CCc3cnc[nH]3)CC2)c1 ZINC000911598818 787562754 /nfs/dbraw/zinc/56/27/54/787562754.db2.gz UFASUSJMQNODLW-UHFFFAOYSA-N -1 1 342.399 2.144 20 0 EEADMM CC(C)[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC000824200445 788082696 /nfs/dbraw/zinc/08/26/96/788082696.db2.gz RBAIKOZBMWDZSH-CYBMUJFWSA-N -1 1 340.391 2.009 20 0 EEADMM COc1cccc(CC2(C(=O)N(C)c3nn[nH]n3)CCCCC2)c1 ZINC000912616927 788257672 /nfs/dbraw/zinc/25/76/72/788257672.db2.gz QDVKWODNRVOJBQ-UHFFFAOYSA-N -1 1 329.404 2.364 20 0 EEADMM COc1cccc(CC2(C(=O)N(C)c3nn[n-]n3)CCCCC2)c1 ZINC000912616927 788257675 /nfs/dbraw/zinc/25/76/75/788257675.db2.gz QDVKWODNRVOJBQ-UHFFFAOYSA-N -1 1 329.404 2.364 20 0 EEADMM C[C@H](NCc1cccnc1N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824624598 788263173 /nfs/dbraw/zinc/26/31/73/788263173.db2.gz 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O=C(NC1CN(C[C@@H]2CCCC(F)(F)C2)C1)c1ncccc1[O-] ZINC001030242823 789867296 /nfs/dbraw/zinc/86/72/96/789867296.db2.gz XONQHGPUIMQOBM-LLVKDONJSA-N -1 1 325.359 2.027 20 0 EEADMM COc1cccc(N2CCN(Cc3c(F)cc([O-])cc3F)CC2)n1 ZINC001144558745 789937775 /nfs/dbraw/zinc/93/77/75/789937775.db2.gz BUJMFHMZSLCZTI-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM O=C1OCCCN1C1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144561277 789938530 /nfs/dbraw/zinc/93/85/30/789938530.db2.gz DZSRYRRSJDKENZ-UHFFFAOYSA-N -1 1 326.343 2.477 20 0 EEADMM C[C@@H](OCc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000046352122 789995190 /nfs/dbraw/zinc/99/51/90/789995190.db2.gz CTLNNPFPTXMWPT-CQSZACIVSA-N -1 1 341.363 2.092 20 0 EEADMM CCOC[C@H]1CN(Cc2sccc2C(=O)[O-])Cc2cnn(C)c21 ZINC001144671358 790023791 /nfs/dbraw/zinc/02/37/91/790023791.db2.gz HQMDMTVZJQJOQP-GFCCVEGCSA-N -1 1 335.429 2.316 20 0 EEADMM Cc1cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]2C)nc(C)n1 ZINC001063737560 791625540 /nfs/dbraw/zinc/62/55/40/791625540.db2.gz 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C[C@@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535999 795586526 /nfs/dbraw/zinc/58/65/26/795586526.db2.gz PSJKHERTYQLZIV-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@H](CC)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080368403 795947694 /nfs/dbraw/zinc/94/76/94/795947694.db2.gz NQJMVODUIZJJSF-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@H](CC)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080368404 795947840 /nfs/dbraw/zinc/94/78/40/795947840.db2.gz NQJMVODUIZJJSF-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C)oc1C ZINC000993247621 796167969 /nfs/dbraw/zinc/16/79/69/796167969.db2.gz KZFARCXVBGNKRU-JSGCOSHPSA-N -1 1 344.415 2.175 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1(CF)CCC1 ZINC001082024531 797083432 /nfs/dbraw/zinc/08/34/32/797083432.db2.gz ZGODVOLPNAAFTN-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1ccsc1)c1noc(C(F)(F)F)n1 ZINC000916399712 797608479 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CC(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001454918481 1107945724 /nfs/dbraw/zinc/94/57/24/1107945724.db2.gz ASAZHZSBPZXPAM-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001455875029 1108963310 /nfs/dbraw/zinc/96/33/10/1108963310.db2.gz MJACDEBCVAAUOD-LIRRHRJNSA-N -1 1 345.443 2.190 20 0 EEADMM CCC(C)(CC)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001457639316 1109705756 /nfs/dbraw/zinc/70/57/56/1109705756.db2.gz UWFCSMGBOXZVQD-ZDUSSCGKSA-N -1 1 335.448 2.484 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc2ccccc2c(=O)o1 ZINC001460818720 1110325066 /nfs/dbraw/zinc/32/50/66/1110325066.db2.gz RMMUWBCYOMLTJO-UHFFFAOYSA-N -1 1 337.335 2.420 20 0 EEADMM O=S(=O)([N-]Cc1cccc2cc[nH]c21)c1c[nH]nc1C(F)(F)F ZINC001463530515 1110375925 /nfs/dbraw/zinc/37/59/25/1110375925.db2.gz PGWFXBVKNCGEQD-UHFFFAOYSA-N -1 1 344.318 2.388 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCc3ccccc3OC2)c(=O)[n-]1 ZINC001467475066 1110456976 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576424148 /nfs/dbraw/zinc/42/41/48/576424148.db2.gz LEAWLQUUSUWCFQ-UONOGXRCSA-N -1 1 345.366 2.243 20 0 EEADMM CCSc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cn1 ZINC000727923671 576462270 /nfs/dbraw/zinc/46/22/70/576462270.db2.gz IXSKQWMLRFRKOL-UHFFFAOYSA-N -1 1 344.392 2.307 20 0 EEADMM CCCCOC(=O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000730286158 577016407 /nfs/dbraw/zinc/01/64/07/577016407.db2.gz FWGJILKNGDJDBW-UHFFFAOYSA-N -1 1 330.178 2.228 20 0 EEADMM CCCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360661 577026108 /nfs/dbraw/zinc/02/61/08/577026108.db2.gz LRBZXNXLLANKSV-UHFFFAOYSA-N -1 1 349.170 2.092 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(F)(F)F ZINC000733322372 577222520 /nfs/dbraw/zinc/22/25/20/577222520.db2.gz SWPVZJGKWRHUIB-MRVPVSSYSA-N -1 1 335.706 2.335 20 0 EEADMM O=C(COC(=O)c1c(F)ccc(F)c1F)[N-]C(=O)c1ccccc1 ZINC000772730752 577292798 /nfs/dbraw/zinc/29/27/98/577292798.db2.gz ZBGWIKAHMKXZCB-UHFFFAOYSA-N -1 1 337.253 2.217 20 0 EEADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773575672 577352284 /nfs/dbraw/zinc/35/22/84/577352284.db2.gz LLYPAOSTUQKUJW-UHFFFAOYSA-N -1 1 345.326 2.207 20 0 EEADMM Cc1cccc(OCCNC(=O)COC(=O)c2ccc([O-])cc2F)c1 ZINC000773576518 577352355 /nfs/dbraw/zinc/35/23/55/577352355.db2.gz AMUREFIJSUHVPS-UHFFFAOYSA-N -1 1 347.342 2.192 20 0 EEADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773774138 577364030 /nfs/dbraw/zinc/36/40/30/577364030.db2.gz YVYZEIYXHVWNKZ-UHFFFAOYSA-N -1 1 338.352 2.320 20 0 EEADMM CN(C(=O)c1ccc2n[n-]c(=S)n2c1)[C@H](CCO)c1ccccc1 ZINC000774067352 577381188 /nfs/dbraw/zinc/38/11/88/577381188.db2.gz YTKHDROWMANUKE-CQSZACIVSA-N -1 1 342.424 2.214 20 0 EEADMM O=C(/C=C/c1ccc(Cl)nc1)OCCC[N-]C(=O)C(F)(F)F ZINC000774991627 577425716 /nfs/dbraw/zinc/42/57/16/577425716.db2.gz IFIGJHCYJKVMGA-HWKANZROSA-N -1 1 336.697 2.360 20 0 EEADMM O=S(=O)([N-]c1nnc2ccccn21)C1=Cc2ccccc2OCC1 ZINC000775156279 577431378 /nfs/dbraw/zinc/43/13/78/577431378.db2.gz IQPFJWZSHCBPFW-UHFFFAOYSA-N -1 1 342.380 2.295 20 0 EEADMM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776566998 577462575 /nfs/dbraw/zinc/46/25/75/577462575.db2.gz ZEXYZSMELSJWLW-FZMZJTMJSA-N -1 1 349.435 2.224 20 0 EEADMM CN(c1ccccc1)c1ccccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765447006 577501175 /nfs/dbraw/zinc/50/11/75/577501175.db2.gz RGTNERRNIGZCGC-UHFFFAOYSA-N -1 1 338.367 2.233 20 0 EEADMM CCN(CC)c1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000766028234 577511436 /nfs/dbraw/zinc/51/14/36/577511436.db2.gz CHTXSEZCSHDJIX-CQSZACIVSA-N -1 1 333.432 2.268 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)Cn1cccn1 ZINC000767081518 577530387 /nfs/dbraw/zinc/53/03/87/577530387.db2.gz QQKUVUQUNAINGK-VIFPVBQESA-N -1 1 349.243 2.200 20 0 EEADMM NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769784583 577584162 /nfs/dbraw/zinc/58/41/62/577584162.db2.gz NWPQGBIVUDJMRR-OAHLLOKOSA-N -1 1 330.771 2.271 20 0 EEADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000769919206 577587212 /nfs/dbraw/zinc/58/72/12/577587212.db2.gz UWCLTVRRPACYAE-DGCLKSJQSA-N -1 1 345.848 2.473 20 0 EEADMM O=C(N[C@@H](CO)C[C@H](O)c1ccccc1)c1c([O-])cccc1Cl ZINC000770829008 577604232 /nfs/dbraw/zinc/60/42/32/577604232.db2.gz CWWWHEBSZMZXTE-DOMZBBRYSA-N -1 1 335.787 2.260 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1ccc(Br)o1 ZINC000759029016 577635848 /nfs/dbraw/zinc/63/58/48/577635848.db2.gz VWKUKKIMVNUWMY-SNVBAGLBSA-N -1 1 346.202 2.054 20 0 EEADMM Cc1sc(Cl)nc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000762844191 577709326 /nfs/dbraw/zinc/70/93/26/577709326.db2.gz ODUNEACABIYQGL-JTQLQIEISA-N -1 1 334.792 2.137 20 0 EEADMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC000756678468 577848447 /nfs/dbraw/zinc/84/84/47/577848447.db2.gz LQLBMSMSHJJZCP-QMMMGPOBSA-N -1 1 332.353 2.327 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)SC)c(F)c1 ZINC000743343844 577883315 /nfs/dbraw/zinc/88/33/15/577883315.db2.gz VVKBULKXYFDWFM-UHFFFAOYSA-N -1 1 325.402 2.393 20 0 EEADMM CCc1nnc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)o1 ZINC000743465555 577885870 /nfs/dbraw/zinc/88/58/70/577885870.db2.gz DLDZDCXIZVSGFL-SECBINFHSA-N -1 1 340.405 2.185 20 0 EEADMM CC(=O)NC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CCCC1 ZINC000744992707 577906377 /nfs/dbraw/zinc/90/63/77/577906377.db2.gz FDKZAXVERXGSAH-UHFFFAOYSA-N -1 1 333.384 2.129 20 0 EEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(F)c1 ZINC000747283190 577942279 /nfs/dbraw/zinc/94/22/79/577942279.db2.gz ZXFUQSGZRXNMTG-UHFFFAOYSA-N -1 1 341.364 2.398 20 0 EEADMM CC(=O)Nc1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(F)c1 ZINC000747283190 577942280 /nfs/dbraw/zinc/94/22/80/577942280.db2.gz ZXFUQSGZRXNMTG-UHFFFAOYSA-N -1 1 341.364 2.398 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CN1C[C@@H](c3cccc(F)c3)CC1=O)CC2 ZINC000739532537 578057012 /nfs/dbraw/zinc/05/70/12/578057012.db2.gz MPPPVVJVUALVSN-HOCLYGCPSA-N -1 1 346.402 2.286 20 0 EEADMM O=C([O-])NCCCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739960309 578075554 /nfs/dbraw/zinc/07/55/54/578075554.db2.gz HSFJZGPXTKOTIX-UHFFFAOYSA-N -1 1 337.445 2.222 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000740057320 578079062 /nfs/dbraw/zinc/07/90/62/578079062.db2.gz WHDNNVQOMHMMIE-AEFFLSMTSA-N -1 1 345.370 2.425 20 0 EEADMM COCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000737829669 578158180 /nfs/dbraw/zinc/15/81/80/578158180.db2.gz VESDYKQQOCSSGM-INIZCTEOSA-N -1 1 334.347 2.161 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627113 578161501 /nfs/dbraw/zinc/16/15/01/578161501.db2.gz MWLWGJMCJUVSKH-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627113 578161502 /nfs/dbraw/zinc/16/15/02/578161502.db2.gz MWLWGJMCJUVSKH-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)c1csc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735656013 578162794 /nfs/dbraw/zinc/16/27/94/578162794.db2.gz FQLPAENVRCGLRY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1csc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735656013 578162795 /nfs/dbraw/zinc/16/27/95/578162795.db2.gz FQLPAENVRCGLRY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)[C@H](CNc1cccc(-c2nnn[n-]2)n1)NC(=O)OC(C)(C)C ZINC000735709859 578164631 /nfs/dbraw/zinc/16/46/31/578164631.db2.gz SPMNIECPWBPSBV-LBPRGKRZSA-N -1 1 347.423 2.223 20 0 EEADMM CC(C)[C@H](CNc1cccc(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC000735709859 578164632 /nfs/dbraw/zinc/16/46/32/578164632.db2.gz SPMNIECPWBPSBV-LBPRGKRZSA-N -1 1 347.423 2.223 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736231026 578188719 /nfs/dbraw/zinc/18/87/19/578188719.db2.gz AVIABLAVAYEYCA-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736231026 578188720 /nfs/dbraw/zinc/18/87/20/578188720.db2.gz AVIABLAVAYEYCA-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736238258 578189741 /nfs/dbraw/zinc/18/97/41/578189741.db2.gz UOHNOBQOZGKTFP-KYOSRNDESA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736238258 578189742 /nfs/dbraw/zinc/18/97/42/578189742.db2.gz UOHNOBQOZGKTFP-KYOSRNDESA-N -1 1 328.420 2.452 20 0 EEADMM C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@H](C)C1 ZINC000736276465 578192940 /nfs/dbraw/zinc/19/29/40/578192940.db2.gz IFARMCWFYMTKDW-VHSXEESVSA-N -1 1 346.460 2.086 20 0 EEADMM C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@H](C)C1 ZINC000736276465 578192941 /nfs/dbraw/zinc/19/29/41/578192941.db2.gz IFARMCWFYMTKDW-VHSXEESVSA-N -1 1 346.460 2.086 20 0 EEADMM CCC[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736422606 578203001 /nfs/dbraw/zinc/20/30/01/578203001.db2.gz JJRKUCBWNDVDJK-SECBINFHSA-N -1 1 343.840 2.329 20 0 EEADMM CCC[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736422606 578203002 /nfs/dbraw/zinc/20/30/02/578203002.db2.gz JJRKUCBWNDVDJK-SECBINFHSA-N -1 1 343.840 2.329 20 0 EEADMM C[C@H](CN(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(=O)[O-] ZINC000736576729 578212595 /nfs/dbraw/zinc/21/25/95/578212595.db2.gz HGLXGRDRZLTARL-SNVBAGLBSA-N -1 1 333.413 2.062 20 0 EEADMM CCOC[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000736611096 578214893 /nfs/dbraw/zinc/21/48/93/578214893.db2.gz MEZPVSOUIGOFRH-QMMMGPOBSA-N -1 1 328.829 2.230 20 0 EEADMM CCOC[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000736611096 578214894 /nfs/dbraw/zinc/21/48/94/578214894.db2.gz MEZPVSOUIGOFRH-QMMMGPOBSA-N -1 1 328.829 2.230 20 0 EEADMM CCc1nc2ccccc2n1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000736706734 578219362 /nfs/dbraw/zinc/21/93/62/578219362.db2.gz VOTBTMRDZMAITM-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCc1nc2ccccc2n1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000736706734 578219363 /nfs/dbraw/zinc/21/93/63/578219363.db2.gz VOTBTMRDZMAITM-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCn1nc(C)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1C ZINC000736727749 578220418 /nfs/dbraw/zinc/22/04/18/578220418.db2.gz DWZGPFSYJTVWRY-UHFFFAOYSA-N -1 1 349.402 2.255 20 0 EEADMM CCn1nc(C)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1C ZINC000736727749 578220419 /nfs/dbraw/zinc/22/04/19/578220419.db2.gz DWZGPFSYJTVWRY-UHFFFAOYSA-N -1 1 349.402 2.255 20 0 EEADMM C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)N(C)CC(=O)[O-] ZINC000736727727 578220427 /nfs/dbraw/zinc/22/04/27/578220427.db2.gz IEEGGVNBDAILRT-NSHDSACASA-N -1 1 335.429 2.222 20 0 EEADMM CN(C)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736778818 578223087 /nfs/dbraw/zinc/22/30/87/578223087.db2.gz GDNFAEYGVCKXGR-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736778818 578223088 /nfs/dbraw/zinc/22/30/88/578223088.db2.gz GDNFAEYGVCKXGR-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CC[C@H](C)CN(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000736880160 578228209 /nfs/dbraw/zinc/22/82/09/578228209.db2.gz MQWDMYZUMDTRIY-NSHDSACASA-N -1 1 336.388 2.088 20 0 EEADMM CCC[C@](C)(NCc1csc(N(C(C)=O)C2CC2)n1)C(=O)[O-] ZINC000736961887 578231268 /nfs/dbraw/zinc/23/12/68/578231268.db2.gz DBIYCARNYOWKRT-HNNXBMFYSA-N -1 1 325.434 2.391 20 0 EEADMM CCCc1nnc([C@@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)[nH]1 ZINC000737051495 578235346 /nfs/dbraw/zinc/23/53/46/578235346.db2.gz TYHXKICVVQVFRH-GWCFXTLKSA-N -1 1 334.376 2.183 20 0 EEADMM CCCc1n[nH]c([C@@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)n1 ZINC000737051495 578235347 /nfs/dbraw/zinc/23/53/47/578235347.db2.gz TYHXKICVVQVFRH-GWCFXTLKSA-N -1 1 334.376 2.183 20 0 EEADMM CCc1ccc(CN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737265982 578247051 /nfs/dbraw/zinc/24/70/51/578247051.db2.gz ZCAAFOZZZODBMA-KRWDZBQOSA-N -1 1 344.455 2.394 20 0 EEADMM Cc1cnn(CCCCCOC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737447972 578258285 /nfs/dbraw/zinc/25/82/85/578258285.db2.gz IQDOAHPCIWTNEJ-UHFFFAOYSA-N -1 1 346.416 2.460 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000737530872 578262307 /nfs/dbraw/zinc/26/23/07/578262307.db2.gz YJJUTAVHAPDGMB-CABCVRRESA-N -1 1 345.443 2.268 20 0 EEADMM COC(=O)C[C@@H]1CCCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737593999 578266055 /nfs/dbraw/zinc/26/60/55/578266055.db2.gz XPFGGXFUGVFVIN-AWEZNQCLSA-N -1 1 331.372 2.110 20 0 EEADMM c1cnc(N2CCC(OCC3CCCCC3)CC2)c(-c2nnn[n-]2)n1 ZINC000823810378 599059476 /nfs/dbraw/zinc/05/94/76/599059476.db2.gz YAVFSBHFNDGVFW-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM c1cnc(N2CCC(OCC3CCCCC3)CC2)c(-c2nn[n-]n2)n1 ZINC000823810378 599059479 /nfs/dbraw/zinc/05/94/79/599059479.db2.gz YAVFSBHFNDGVFW-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccs1 ZINC000818374852 597040604 /nfs/dbraw/zinc/04/06/04/597040604.db2.gz SMNAFHUSJJUJPK-QWHCGFSZSA-N -1 1 339.461 2.247 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CCCS(=O)(=O)c2ccccc2)C1 ZINC000819380137 597082049 /nfs/dbraw/zinc/08/20/49/597082049.db2.gz HRPANOBFBHTVPL-CQSZACIVSA-N -1 1 325.430 2.037 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000325216875 597231782 /nfs/dbraw/zinc/23/17/82/597231782.db2.gz 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ZINC000830963215 600748960 /nfs/dbraw/zinc/74/89/60/600748960.db2.gz AAHKNXPMPUXLCG-MFKMUULPSA-N -1 1 333.215 2.039 20 0 EEADMM O=C([O-])c1cccc(-c2nc(CNC3(CO)CCOCC3)cs2)c1 ZINC000833326891 600825522 /nfs/dbraw/zinc/82/55/22/600825522.db2.gz XCSCIMPMQWNWEZ-UHFFFAOYSA-N -1 1 348.424 2.139 20 0 EEADMM Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[nH]1 ZINC000832990652 600835792 /nfs/dbraw/zinc/83/57/92/600835792.db2.gz IYDDUYWMHUPGSM-UHFFFAOYSA-N -1 1 326.765 2.196 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000832990652 600835793 /nfs/dbraw/zinc/83/57/93/600835793.db2.gz IYDDUYWMHUPGSM-UHFFFAOYSA-N -1 1 326.765 2.196 20 0 EEADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)Cc1nnc[nH]1 ZINC000830869990 601040801 /nfs/dbraw/zinc/04/08/01/601040801.db2.gz XHVPXSANJSLVSX-UHFFFAOYSA-N -1 1 329.385 2.258 20 0 EEADMM COc1ccccc1/C(C)=C/C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832588816 601085020 /nfs/dbraw/zinc/08/50/20/601085020.db2.gz IEMCDTPCYFFBFC-ZQHYZAEZSA-N -1 1 346.427 2.106 20 0 EEADMM O=C([O-])Nc1cccc(NC(=O)N2CCN(C3CCOCC3)CC2)c1 ZINC000833289752 601311127 /nfs/dbraw/zinc/31/11/27/601311127.db2.gz VLJOFOSROYVSNN-UHFFFAOYSA-N -1 1 348.403 2.105 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000827385954 601337899 /nfs/dbraw/zinc/33/78/99/601337899.db2.gz PLMMENLIDWBPGI-ZDUSSCGKSA-N -1 1 347.484 2.353 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)N[C@@H](C)c2cccs2)CC1 ZINC000827710102 601337969 /nfs/dbraw/zinc/33/79/69/601337969.db2.gz MTQPBWRDRRQMCQ-RYUDHWBXSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccnc1 ZINC000827728051 601348929 /nfs/dbraw/zinc/34/89/29/601348929.db2.gz PRINBWOFVIYEOE-GXFFZTMASA-N -1 1 331.397 2.297 20 0 EEADMM Cc1cnc(CN(C)[C@H]2CCN(Cc3ccsc3C(=O)[O-])C2)o1 ZINC000832985765 601835087 /nfs/dbraw/zinc/83/50/87/601835087.db2.gz NBMHPROWNQSJFF-ZDUSSCGKSA-N -1 1 335.429 2.449 20 0 EEADMM Cc1nsc(N2CCCN(Cc3ccsc3C(=O)[O-])CC2)n1 ZINC000833023728 601836922 /nfs/dbraw/zinc/83/69/22/601836922.db2.gz DKABNAYTECEODK-UHFFFAOYSA-N -1 1 338.458 2.319 20 0 EEADMM Cc1ccc(N2CCC[C@@H](N3CCSC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000832936678 601920774 /nfs/dbraw/zinc/92/07/74/601920774.db2.gz OFFPXBMGNDFDKR-JKSUJKDBSA-N -1 1 348.468 2.383 20 0 EEADMM C[C@@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000828295182 602304612 /nfs/dbraw/zinc/30/46/12/602304612.db2.gz AOPQUAFTZBOULE-DYVFJYSZSA-N -1 1 339.399 2.472 20 0 EEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CCC(C)CC2)cc1 ZINC000832230459 602309640 /nfs/dbraw/zinc/30/96/40/602309640.db2.gz BOCPTOJORPKPMA-INIZCTEOSA-N -1 1 334.416 2.059 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)Cc1ccccc1 ZINC000824656255 607564220 /nfs/dbraw/zinc/56/42/20/607564220.db2.gz JVSTXQUERUBZTP-GWCFXTLKSA-N -1 1 344.806 2.319 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)Cc1ccccc1 ZINC000824656255 607564221 /nfs/dbraw/zinc/56/42/21/607564221.db2.gz JVSTXQUERUBZTP-GWCFXTLKSA-N -1 1 344.806 2.319 20 0 EEADMM c1ccc(-c2cccc(CNc3nccnc3-c3nnn[n-]3)c2)nc1 ZINC000826519411 607679215 /nfs/dbraw/zinc/67/92/15/607679215.db2.gz XQHDVOHDEVRVFF-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cccc(CNc3nccnc3-c3nn[n-]n3)c2)nc1 ZINC000826519411 607679216 /nfs/dbraw/zinc/67/92/16/607679216.db2.gz XQHDVOHDEVRVFF-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000825718066 607684352 /nfs/dbraw/zinc/68/43/52/607684352.db2.gz UUTWTEUGSJQTMK-UHFFFAOYSA-N -1 1 347.375 2.369 20 0 EEADMM O=C([O-])c1cc(CN2CCc3c(cccc3N3CCOC3=O)C2)c[nH]1 ZINC000833778954 604667115 /nfs/dbraw/zinc/66/71/15/604667115.db2.gz HLWOQTNXPAAHDU-UHFFFAOYSA-N -1 1 341.367 2.228 20 0 EEADMM COc1cccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826217401 607708739 /nfs/dbraw/zinc/70/87/39/607708739.db2.gz KXAPGTVPIWGKOA-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COc1cccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826217401 607708741 /nfs/dbraw/zinc/70/87/41/607708741.db2.gz KXAPGTVPIWGKOA-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000831705621 604708215 /nfs/dbraw/zinc/70/82/15/604708215.db2.gz XBIXEEDJNQGOCP-SECBINFHSA-N -1 1 341.389 2.473 20 0 EEADMM CCc1[nH]c(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)c1C(=O)[O-] ZINC000833666909 605023489 /nfs/dbraw/zinc/02/34/89/605023489.db2.gz HGBJRHXRHJWSDS-SECBINFHSA-N -1 1 333.392 2.316 20 0 EEADMM CN(CC(C)(C)S(C)(=O)=O)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833692360 605051723 /nfs/dbraw/zinc/05/17/23/605051723.db2.gz PUAGEFNYVHNQAV-LBPRGKRZSA-N -1 1 333.837 2.221 20 0 EEADMM C[C@H]1CC(NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C[C@H](C)C1 ZINC000833593245 605053345 /nfs/dbraw/zinc/05/33/45/605053345.db2.gz HNAJCVHXBVOPJO-MGPQQGTHSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000833618379 605105567 /nfs/dbraw/zinc/10/55/67/605105567.db2.gz BENUOWWCTSPUQT-USEMIUTHSA-N -1 1 342.848 2.422 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000833624448 605109063 /nfs/dbraw/zinc/10/90/63/605109063.db2.gz IHLSHCHSPPCOEV-AWEZNQCLSA-N -1 1 330.428 2.186 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccccc2cc1O ZINC000833626162 605159634 /nfs/dbraw/zinc/15/96/34/605159634.db2.gz OYLJUXHIWURRMX-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)CCN1CCC(=O)[O-] ZINC000833623807 605252728 /nfs/dbraw/zinc/25/27/28/605252728.db2.gz RDSDCJXVBDZRQJ-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000833514337 605253490 /nfs/dbraw/zinc/25/34/90/605253490.db2.gz RCJZPWJFDVEMKW-KBPBESRZSA-N -1 1 336.407 2.327 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)Cc1[nH]nc2ccccc21 ZINC000833765203 605504361 /nfs/dbraw/zinc/50/43/61/605504361.db2.gz AFSHFKAGPWHHSE-INIZCTEOSA-N -1 1 342.326 2.484 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCCC1 ZINC000822534854 606183117 /nfs/dbraw/zinc/18/31/17/606183117.db2.gz ARBXJLYXRZOVQY-UHFFFAOYSA-N -1 1 326.360 2.185 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCCC1 ZINC000822534854 606183119 /nfs/dbraw/zinc/18/31/19/606183119.db2.gz ARBXJLYXRZOVQY-UHFFFAOYSA-N -1 1 326.360 2.185 20 0 EEADMM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820549952 606292433 /nfs/dbraw/zinc/29/24/33/606292433.db2.gz TWHZBNRPYSSFIB-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820535549 606293945 /nfs/dbraw/zinc/29/39/45/606293945.db2.gz PBCRRNOCZDQGGB-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823445108 606491176 /nfs/dbraw/zinc/49/11/76/606491176.db2.gz RZXKIHVPEWUBOI-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823445108 606491177 /nfs/dbraw/zinc/49/11/77/606491177.db2.gz RZXKIHVPEWUBOI-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000823535629 606509327 /nfs/dbraw/zinc/50/93/27/606509327.db2.gz CBUHEIHHWLUKRN-UHFFFAOYSA-N -1 1 340.368 2.065 20 0 EEADMM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000823535629 606509329 /nfs/dbraw/zinc/50/93/29/606509329.db2.gz CBUHEIHHWLUKRN-UHFFFAOYSA-N -1 1 340.368 2.065 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000823484314 606549486 /nfs/dbraw/zinc/54/94/86/606549486.db2.gz VPNNODXTFCXWKP-GFCCVEGCSA-N -1 1 340.412 2.255 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000823484314 606549488 /nfs/dbraw/zinc/54/94/88/606549488.db2.gz VPNNODXTFCXWKP-GFCCVEGCSA-N -1 1 340.412 2.255 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(C(F)(F)F)CC1 ZINC000823483191 606578336 /nfs/dbraw/zinc/57/83/36/606578336.db2.gz FCCRWKQPFLEZDE-UHFFFAOYSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(C(F)(F)F)CC1 ZINC000823483191 606578337 /nfs/dbraw/zinc/57/83/37/606578337.db2.gz FCCRWKQPFLEZDE-UHFFFAOYSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166965 606591894 /nfs/dbraw/zinc/59/18/94/606591894.db2.gz VEODBSQHUYKCOY-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166965 606591896 /nfs/dbraw/zinc/59/18/96/606591896.db2.gz VEODBSQHUYKCOY-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525292 606744436 /nfs/dbraw/zinc/74/44/36/606744436.db2.gz KXZOGPKWTLCFLD-QWRGUYRKSA-N -1 1 345.428 2.292 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000823525292 606744437 /nfs/dbraw/zinc/74/44/37/606744437.db2.gz KXZOGPKWTLCFLD-QWRGUYRKSA-N -1 1 345.428 2.292 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1 ZINC000823436404 606841658 /nfs/dbraw/zinc/84/16/58/606841658.db2.gz UDSVNCGJPNPMDG-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000823436404 606841660 /nfs/dbraw/zinc/84/16/60/606841660.db2.gz UDSVNCGJPNPMDG-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820925594 607104230 /nfs/dbraw/zinc/10/42/30/607104230.db2.gz KCWMFJBOUWJKEF-JTQLQIEISA-N -1 1 329.389 2.152 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820925594 607104231 /nfs/dbraw/zinc/10/42/31/607104231.db2.gz KCWMFJBOUWJKEF-JTQLQIEISA-N -1 1 329.389 2.152 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000826424841 608013816 /nfs/dbraw/zinc/01/38/16/608013816.db2.gz GBZTYPNPUYQNSR-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Cl)c(Cl)c1 ZINC000826424841 608013817 /nfs/dbraw/zinc/01/38/17/608013817.db2.gz GBZTYPNPUYQNSR-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM Fc1cccc(F)c1-c1nc(Cn2ccnc2-c2nnn[n-]2)co1 ZINC000826377497 608149016 /nfs/dbraw/zinc/14/90/16/608149016.db2.gz UMESEUOPFPFCFI-UHFFFAOYSA-N -1 1 329.270 2.045 20 0 EEADMM Fc1cccc(F)c1-c1nc(Cn2ccnc2-c2nn[n-]n2)co1 ZINC000826377497 608149017 /nfs/dbraw/zinc/14/90/17/608149017.db2.gz UMESEUOPFPFCFI-UHFFFAOYSA-N -1 1 329.270 2.045 20 0 EEADMM c1cncc(COc2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)c1 ZINC000826525754 608401381 /nfs/dbraw/zinc/40/13/81/608401381.db2.gz XTMWPAGVJRXIOU-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1cncc(COc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)c1 ZINC000826525754 608401383 /nfs/dbraw/zinc/40/13/83/608401383.db2.gz XTMWPAGVJRXIOU-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(CCOCCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521260 608402793 /nfs/dbraw/zinc/40/27/93/608402793.db2.gz GKIAESOVYKLDRQ-UHFFFAOYSA-N -1 1 339.403 2.108 20 0 EEADMM c1ccc(CCOCCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521260 608402794 /nfs/dbraw/zinc/40/27/94/608402794.db2.gz GKIAESOVYKLDRQ-UHFFFAOYSA-N -1 1 339.403 2.108 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826177725 608435446 /nfs/dbraw/zinc/43/54/46/608435446.db2.gz RXFRPGWTTTVWLP-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826177725 608435448 /nfs/dbraw/zinc/43/54/48/608435448.db2.gz RXFRPGWTTTVWLP-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM CCO[C@H](C)c1noc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC000825577144 608731705 /nfs/dbraw/zinc/73/17/05/608731705.db2.gz TYHSWYOWEBTEIL-SECBINFHSA-N -1 1 349.420 2.041 20 0 EEADMM CC(C)c1cnc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)o1 ZINC000969542659 675098424 /nfs/dbraw/zinc/09/84/24/675098424.db2.gz HLOBSBCHSFADNC-GFCCVEGCSA-N -1 1 344.415 2.149 20 0 EEADMM Cn1c(=S)[n-]nc1[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000069703688 675152075 /nfs/dbraw/zinc/15/20/75/675152075.db2.gz RLLOKESJVYEIKQ-NSHDSACASA-N -1 1 344.444 2.165 20 0 EEADMM O=C(CCC1CCC1)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021441904 676085965 /nfs/dbraw/zinc/08/59/65/676085965.db2.gz DXCJUTXVCAATGQ-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1sc(N)nc1[O-] ZINC000079431661 675438116 /nfs/dbraw/zinc/43/81/16/675438116.db2.gz HTCLVDJVAUKLLO-JTQLQIEISA-N -1 1 345.346 2.011 20 0 EEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccccc1C(F)(F)F ZINC000079725614 675445935 /nfs/dbraw/zinc/44/59/35/675445935.db2.gz JKTHGVHWCQCEJO-GMSGAONNSA-N -1 1 345.346 2.229 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCC[C@@H](O)C1)c1cc(Cl)cnc1Cl ZINC000866862122 677924859 /nfs/dbraw/zinc/92/48/59/677924859.db2.gz CFLZBZYSVKLWEG-WCBMZHEXSA-N -1 1 339.244 2.218 20 0 EEADMM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)c1cncc([O-])c1 ZINC000890818834 675663763 /nfs/dbraw/zinc/66/37/63/675663763.db2.gz NMWAIQOEEPOPJQ-SCLBCKFNSA-N -1 1 347.415 2.307 20 0 EEADMM CC(C)Oc1cccnc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621781 676732699 /nfs/dbraw/zinc/73/26/99/676732699.db2.gz LXUJVWHFQZWTNB-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM Cc1nc(CN2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)oc1C ZINC001023326537 679252800 /nfs/dbraw/zinc/25/28/00/679252800.db2.gz XILVESBNPARDIU-AWEZNQCLSA-N -1 1 344.415 2.034 20 0 EEADMM O=C(NC[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000983289725 682191200 /nfs/dbraw/zinc/19/12/00/682191200.db2.gz GIESRGSUJQHXIK-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059116077 682267690 /nfs/dbraw/zinc/26/76/90/682267690.db2.gz YQPXPJBUGCYEQC-CQSZACIVSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cccc(Cl)c1 ZINC000973198101 682295439 /nfs/dbraw/zinc/29/54/39/682295439.db2.gz USDMPEGVDGFOFQ-JOCQHMNTSA-N -1 1 345.786 2.131 20 0 EEADMM Cc1cocc1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937450814 683595843 /nfs/dbraw/zinc/59/58/43/683595843.db2.gz ODSCFUMKVQQLKR-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC001029280619 683811648 /nfs/dbraw/zinc/81/16/48/683811648.db2.gz BEJXZOCYGGFYFH-GASCZTMLSA-N -1 1 341.386 2.415 20 0 EEADMM CCCC(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@@H]21 ZINC000984165074 684184378 /nfs/dbraw/zinc/18/43/78/684184378.db2.gz FZEWTRZOCPHRFM-CSMYWGQOSA-N -1 1 345.443 2.333 20 0 EEADMM O=C([O-])CCc1cccc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000909511005 684376747 /nfs/dbraw/zinc/37/67/47/684376747.db2.gz PCVWPIQBXQMXRM-UHFFFAOYSA-N -1 1 327.384 2.487 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC000984317671 684408175 /nfs/dbraw/zinc/40/81/75/684408175.db2.gz DKCNUZMRWWKVCB-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1coc(C(=O)N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000984531194 684708795 /nfs/dbraw/zinc/70/87/95/684708795.db2.gz WNGIZYIVQVHDES-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984571871 684773205 /nfs/dbraw/zinc/77/32/05/684773205.db2.gz DYOSFQIATMSZTH-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM COC(=O)N1CCC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896082028 684832172 /nfs/dbraw/zinc/83/21/72/684832172.db2.gz QTUSVBDQAJTNRB-GFCCVEGCSA-N -1 1 344.367 2.212 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000866905073 685989742 /nfs/dbraw/zinc/98/97/42/685989742.db2.gz MAJPANGYVNTVHB-KOLCDFICSA-N -1 1 342.244 2.470 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ncccc1[O-] ZINC000975217626 686311373 /nfs/dbraw/zinc/31/13/73/686311373.db2.gz DPZBLNZOULBLPR-LBPRGKRZSA-N -1 1 345.424 2.131 20 0 EEADMM CC1=C(C)C[C@@H](C(=O)N2CCC(N(C)Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000985453907 686824622 /nfs/dbraw/zinc/82/46/22/686824622.db2.gz REBCVLXLLVTAFG-AWEZNQCLSA-N -1 1 347.463 2.070 20 0 EEADMM O=S(=O)([N-][C@H](CO)C1CC1)c1c(Cl)cc(F)cc1Cl ZINC000797827025 687592309 /nfs/dbraw/zinc/59/23/09/687592309.db2.gz RXBZEJLJEZXVOM-SNVBAGLBSA-N -1 1 328.192 2.182 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029912428 688261403 /nfs/dbraw/zinc/26/14/03/688261403.db2.gz JPRQDPYTXATVKV-KBPBESRZSA-N -1 1 349.479 2.007 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979147484 694217231 /nfs/dbraw/zinc/21/72/31/694217231.db2.gz KWHIPKJFANWCOK-HZSPNIEDSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H](NC(=O)C1=CCCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000986859194 688981865 /nfs/dbraw/zinc/98/18/65/688981865.db2.gz DQEGMJNDTMAKJM-CYBMUJFWSA-N -1 1 343.427 2.254 20 0 EEADMM COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1SC ZINC000904049015 694283384 /nfs/dbraw/zinc/28/33/84/694283384.db2.gz VGNYKPGORSYABP-HNNXBMFYSA-N -1 1 335.429 2.375 20 0 EEADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987726316 689976949 /nfs/dbraw/zinc/97/69/49/689976949.db2.gz CJXWFMMEMPGWGY-HUUCEWRRSA-N -1 1 343.427 2.064 20 0 EEADMM CCCN1C[C@H](CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1=O ZINC000897994005 691835311 /nfs/dbraw/zinc/83/53/11/691835311.db2.gz WGBQVODFNXLGFI-LBPRGKRZSA-N -1 1 342.395 2.239 20 0 EEADMM CCCOc1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000905091419 694521195 /nfs/dbraw/zinc/52/11/95/694521195.db2.gz FCSOIJKFZQGVMQ-UHFFFAOYSA-N -1 1 332.447 2.394 20 0 EEADMM Cc1cc(C)nc(NC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060021013 692812037 /nfs/dbraw/zinc/81/20/37/692812037.db2.gz HPIPULCDAPWBII-AWEZNQCLSA-N -1 1 341.415 2.158 20 0 EEADMM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC000990689673 693224689 /nfs/dbraw/zinc/22/46/89/693224689.db2.gz ZTVXVHCBTDDYKU-MJBXVCDLSA-N -1 1 345.443 2.190 20 0 EEADMM CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000898549341 693367911 /nfs/dbraw/zinc/36/79/11/693367911.db2.gz WEHSDWBFHDVABE-PELKAZGASA-N -1 1 331.290 2.034 20 0 EEADMM C[C@@H]1CN(CCNC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H](C)CO1 ZINC000898668471 693413761 /nfs/dbraw/zinc/41/37/61/693413761.db2.gz HZHBVEVICKQWIH-QWHCGFSZSA-N -1 1 344.411 2.090 20 0 EEADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757189 693441879 /nfs/dbraw/zinc/44/18/79/693441879.db2.gz PNJWTOCAZKQKSM-RYUDHWBXSA-N -1 1 327.384 2.494 20 0 EEADMM CO[C@H](C)c1nsc([N-]C(=O)c2c3c(ccc2F)OCO3)n1 ZINC000898939985 693537729 /nfs/dbraw/zinc/53/77/29/693537729.db2.gz XQOHIGWLDBYSTR-ZCFIWIBFSA-N -1 1 325.321 2.366 20 0 EEADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CCCCN(C)C1=O ZINC000899165922 693639301 /nfs/dbraw/zinc/63/93/01/693639301.db2.gz ZWJJWWINGQOFCK-INIZCTEOSA-N -1 1 342.395 2.334 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)[C@]23C[C@H]2CCC3)C1)c1ncccc1[O-] ZINC000943204428 1192114191 /nfs/dbraw/zinc/11/41/91/1192114191.db2.gz SLERRDSTUVLGIB-PJIJBLCYSA-N -1 1 343.427 2.088 20 0 EEADMM CC1(C(=O)N2CCCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC=CC1 ZINC000943205529 1192114884 /nfs/dbraw/zinc/11/48/84/1192114884.db2.gz DOSAIFOGMVAWAR-CQSZACIVSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000943330284 1192197175 /nfs/dbraw/zinc/19/71/75/1192197175.db2.gz DAESVBVHMHWYBF-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccccc1C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000943773132 1192544291 /nfs/dbraw/zinc/54/42/91/1192544291.db2.gz WJXNZRARILCMSK-UHFFFAOYSA-N -1 1 339.395 2.130 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])Cc1sccc1Cl ZINC001480856366 1176009218 /nfs/dbraw/zinc/00/92/18/1176009218.db2.gz CCEQEGWBDPSDNI-UHFFFAOYSA-N -1 1 325.821 2.364 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000943976170 1192733218 /nfs/dbraw/zinc/73/32/18/1192733218.db2.gz DOWXEYFONHROMN-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1sccc1C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000944005675 1192750482 /nfs/dbraw/zinc/75/04/82/1192750482.db2.gz CKWSNVVGJGYOCN-GFCCVEGCSA-N -1 1 345.424 2.192 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)C12CCC(CC1)C2)c1ncccc1[O-] ZINC000944118158 1192892494 /nfs/dbraw/zinc/89/24/94/1192892494.db2.gz OEXXRKVIJFXLNM-SHYRYGCCSA-N -1 1 343.427 2.088 20 0 EEADMM CCc1cc(C)nc(N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174690 1180713031 /nfs/dbraw/zinc/71/30/31/1180713031.db2.gz IUQHVYVSYJPHGB-AWEZNQCLSA-N -1 1 343.431 2.315 20 0 EEADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC001269347282 1184198450 /nfs/dbraw/zinc/19/84/50/1184198450.db2.gz XBLRLBGULKSZLY-PBHICJAKSA-N -1 1 339.395 2.079 20 0 EEADMM O=C(NC12CC(C(=O)NCC(F)F)(C1)C2)c1cc(Cl)ccc1[O-] ZINC001269574111 1184403445 /nfs/dbraw/zinc/40/34/45/1184403445.db2.gz MTMXANASYRYAGI-UHFFFAOYSA-N -1 1 344.745 2.079 20 0 EEADMM CN1CCO[C@H]2CN(C(=O)c3cccc(-c4ccccc4)c3[O-])C[C@@H]21 ZINC001270007985 1184783021 /nfs/dbraw/zinc/78/30/21/1184783021.db2.gz VEUMVDYDUVMHTH-ROUUACIJSA-N -1 1 338.407 2.214 20 0 EEADMM CC(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cncc([O-])c1 ZINC001271386116 1186180526 /nfs/dbraw/zinc/18/05/26/1186180526.db2.gz KDXZRBNFQDDLIM-GOSISDBHSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(c1ccc(F)c(=O)[n-]1)N1CCC[C@]12CCN(C1CCCC1)C2=O ZINC001271743125 1186454939 /nfs/dbraw/zinc/45/49/39/1186454939.db2.gz SYNDENBTRRBRTE-GOSISDBHSA-N -1 1 347.390 2.076 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1coc(C2CC2)n1 ZINC001088538958 1187188233 /nfs/dbraw/zinc/18/82/33/1187188233.db2.gz ADEYUFJJHNSZLS-RISCZKNCSA-N -1 1 342.399 2.045 20 0 EEADMM CCCC(CCC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001409192108 1187320887 /nfs/dbraw/zinc/32/08/87/1187320887.db2.gz RCLOXIFYPMXODC-GJZGRUSLSA-N -1 1 345.443 2.429 20 0 EEADMM C[C@@H](CCNC(=O)CC1=CCCCC1)NC(=O)c1ncccc1[O-] ZINC001075932272 1188041253 /nfs/dbraw/zinc/04/12/53/1188041253.db2.gz QHICCPVNEZEQKV-ZDUSSCGKSA-N -1 1 331.416 2.302 20 0 EEADMM Cc1cc(F)cc(C(=O)N[C@@H](C)CCNC(=O)c2ncccc2[O-])c1 ZINC001076247247 1188802574 /nfs/dbraw/zinc/80/25/74/1188802574.db2.gz FNHWRXVMMGLICA-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](C)CCNC(=O)c2ncccc2[O-])s1 ZINC001076248536 1188804015 /nfs/dbraw/zinc/80/40/15/1188804015.db2.gz RZLGANXFCNJSKG-NSHDSACASA-N -1 1 347.440 2.350 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001076245382 1188808274 /nfs/dbraw/zinc/80/82/74/1188808274.db2.gz ZNUSTQFBFBBLPW-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CCNC(=O)C[C@H]1C=CCCC1)NC(=O)c1ncccc1[O-] ZINC001077099198 1189328902 /nfs/dbraw/zinc/32/89/02/1189328902.db2.gz FZHLHGXESDHAIW-KBPBESRZSA-N -1 1 331.416 2.158 20 0 EEADMM CCCCN1CCC2(CCN(C(=O)c3nc(C)ccc3[O-])CC2)C1=O ZINC001272386400 1190796493 /nfs/dbraw/zinc/79/64/93/1190796493.db2.gz GBVGYYXRXNDEOY-UHFFFAOYSA-N -1 1 345.443 2.350 20 0 EEADMM Cc1cnc([C@@H](C)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)o1 ZINC001005294873 1195114814 /nfs/dbraw/zinc/11/48/14/1195114814.db2.gz FVXIKVPRRRMRRO-CYBMUJFWSA-N -1 1 344.415 2.381 20 0 EEADMM O=C(N[C@H]1CCCCN(Cc2ccns2)C1)c1ncccc1[O-] ZINC001034179572 1195919645 /nfs/dbraw/zinc/91/96/45/1195919645.db2.gz BJYLWSSHDGOPJB-LBPRGKRZSA-N -1 1 332.429 2.028 20 0 EEADMM CCc1nocc1CN1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001034181124 1195921521 /nfs/dbraw/zinc/92/15/21/1195921521.db2.gz KGPHAANPFZXBAF-CQSZACIVSA-N -1 1 344.415 2.122 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)C=C1CCC1 ZINC001018100713 1224336038 /nfs/dbraw/zinc/33/60/38/1224336038.db2.gz RIACAPRTSSNIAT-OCCSQVGLSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)C1CC(C)(C)C1 ZINC001018103777 1224339585 /nfs/dbraw/zinc/33/95/85/1224339585.db2.gz HJPOBVNWQDXIRP-OCCSQVGLSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000864613388 1197838294 /nfs/dbraw/zinc/83/82/94/1197838294.db2.gz UEFSAADTPBUITK-JIMOISOXSA-N -1 1 344.333 2.274 20 0 EEADMM CCC[C@H](C)NC(=O)[C@@H](C)O[N-]C(=O)CCc1ccc(OC)cc1 ZINC000871797825 1197907655 /nfs/dbraw/zinc/90/76/55/1197907655.db2.gz FCYXATKJKJSKOW-UONOGXRCSA-N -1 1 336.432 2.369 20 0 EEADMM O=C(c1ccc(I)cc1[O-])N1CCSCC1 ZINC000864903628 1197992789 /nfs/dbraw/zinc/99/27/89/1197992789.db2.gz HDJIUYMXJYIRPU-UHFFFAOYSA-N -1 1 349.193 2.186 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000872353015 1198153987 /nfs/dbraw/zinc/15/39/87/1198153987.db2.gz QSHJRVUBRHLBCD-UHFFFAOYSA-N -1 1 349.478 2.281 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC000872369688 1198159920 /nfs/dbraw/zinc/15/99/20/1198159920.db2.gz JPWGSODXEMBLOW-UHFFFAOYSA-N -1 1 336.410 2.193 20 0 EEADMM Cc1nc(SCC(=O)CC[N-]C(=O)C(F)(F)F)sc1C ZINC000865356846 1198183380 /nfs/dbraw/zinc/18/33/80/1198183380.db2.gz AMMXUOOYSARWLJ-UHFFFAOYSA-N -1 1 326.365 2.490 20 0 EEADMM C[C@H]1[C@H](NC(=O)C2(C3CC3)CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001011678342 1224508421 /nfs/dbraw/zinc/50/84/21/1224508421.db2.gz XAJSLPAUSIKIQO-GXTWGEPZSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)CC(C)(C)C ZINC001014895240 1224508069 /nfs/dbraw/zinc/50/80/69/1224508069.db2.gz SQABVWTYQPMGRF-CHWSQXEVSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)c1ccccc1 ZINC001014895599 1224509259 /nfs/dbraw/zinc/50/92/59/1224509259.db2.gz UMVZVEUSHJEGGT-DZGCQCFKSA-N -1 1 339.395 2.210 20 0 EEADMM Cc1cocc1C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001014896875 1224510367 /nfs/dbraw/zinc/51/03/67/1224510367.db2.gz YIMZDDAKYUORCV-GXTWGEPZSA-N -1 1 343.383 2.112 20 0 EEADMM CC(C)(C)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1Cl ZINC000813445404 1199032691 /nfs/dbraw/zinc/03/26/91/1199032691.db2.gz VWZGUSJJFOWGMM-CYBMUJFWSA-N -1 1 349.822 2.364 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000813846142 1199198217 /nfs/dbraw/zinc/19/82/17/1199198217.db2.gz AVCLLMKDBBQAMT-IUODEOHRSA-N -1 1 329.400 2.466 20 0 EEADMM Cc1cc(C)cc(C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)c1 ZINC000869315830 1200011058 /nfs/dbraw/zinc/01/10/58/1200011058.db2.gz IONHQADGNZTEMP-UHFFFAOYSA-N -1 1 331.290 2.098 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869510240 1200123955 /nfs/dbraw/zinc/12/39/55/1200123955.db2.gz USNINCNMILAEMK-PWSUYJOCSA-N -1 1 337.338 2.384 20 0 EEADMM CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000017821529 1200247631 /nfs/dbraw/zinc/24/76/31/1200247631.db2.gz JZKBWEWXKOTGIS-UHFFFAOYSA-N -1 1 334.397 2.477 20 0 EEADMM CCONC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000017821545 1200249279 /nfs/dbraw/zinc/24/92/79/1200249279.db2.gz VKOGDCQPEDXEHP-UHFFFAOYSA-N -1 1 334.397 2.477 20 0 EEADMM COC1(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCC1 ZINC000870162736 1200527540 /nfs/dbraw/zinc/52/75/40/1200527540.db2.gz SNCDPBMSAFUSQG-UHFFFAOYSA-N -1 1 338.835 2.259 20 0 EEADMM CO[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)C1CC1 ZINC000812514682 1200753388 /nfs/dbraw/zinc/75/33/88/1200753388.db2.gz FOPDUHDUOMVZIQ-GFCCVEGCSA-N -1 1 339.244 2.482 20 0 EEADMM Cc1cc(F)cc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000878975636 1200782158 /nfs/dbraw/zinc/78/21/58/1200782158.db2.gz GJJCXLGJYZKCFZ-UHFFFAOYSA-N -1 1 333.285 2.276 20 0 EEADMM CC(C)OCCO[N-]C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000812806378 1200941421 /nfs/dbraw/zinc/94/14/21/1200941421.db2.gz ZOZATWMVNZZKNO-INIZCTEOSA-N -1 1 346.427 2.001 20 0 EEADMM CC(C)OCCO[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000812808443 1200941433 /nfs/dbraw/zinc/94/14/33/1200941433.db2.gz YJMMGSOEFDGCEG-IBGZPJMESA-N -1 1 348.443 2.402 20 0 EEADMM COc1cc2[n-]cc(C(=O)NCCC(C)(C)OC)c(=O)c2c(OC)c1 ZINC000871260507 1201129813 /nfs/dbraw/zinc/12/98/13/1201129813.db2.gz OFETZQOAWLOGTQ-UHFFFAOYSA-N -1 1 348.399 2.090 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)C2CC3(CC3)C2)CN1C(=O)c1ncccc1[O-] ZINC001018399169 1224676390 /nfs/dbraw/zinc/67/63/90/1224676390.db2.gz MBIZTQMPFCYBSM-OCCSQVGLSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)[C@H]1C ZINC000866386928 1201505402 /nfs/dbraw/zinc/50/54/02/1201505402.db2.gz LVOFXONKQNNBLX-VGMNWLOBSA-N -1 1 336.255 2.275 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cccc2ccsc21 ZINC000867456198 1201616637 /nfs/dbraw/zinc/61/66/37/1201616637.db2.gz RIQBSTDHMIKOGZ-UHFFFAOYSA-N -1 1 344.483 2.498 20 0 EEADMM O=S(=O)(Cc1ccc(F)cc1Cl)[N-][C@H]1CCCC12OCCO2 ZINC000867528964 1201628293 /nfs/dbraw/zinc/62/82/93/1201628293.db2.gz UPLHUMOCVPOGOV-ZDUSSCGKSA-N -1 1 349.811 2.194 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](CF)C2)c(=O)[n-]1 ZINC000881593793 1201724446 /nfs/dbraw/zinc/72/44/46/1201724446.db2.gz VZHKKCDGBKPVOV-LLVKDONJSA-N -1 1 327.425 2.353 20 0 EEADMM CC[C@@H](C)N1CC2(CN(Cc3cccc([O-])c3Cl)C2)OCC1=O ZINC001274724078 1205143261 /nfs/dbraw/zinc/14/32/61/1205143261.db2.gz QMDGEHWKHUKQIL-GFCCVEGCSA-N -1 1 338.835 2.257 20 0 EEADMM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c([O-])cc1F)C2 ZINC001275146413 1205268066 /nfs/dbraw/zinc/26/80/66/1205268066.db2.gz AKHKTEKRAYPCAG-AAEUAGOBSA-N -1 1 339.386 2.295 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)C1=CCCC1 ZINC001411453023 1205366711 /nfs/dbraw/zinc/36/67/11/1205366711.db2.gz NSKPPVYWMJONOO-UHFFFAOYSA-N -1 1 331.416 2.112 20 0 EEADMM NC(=O)[C@@H]1CCC2(C1)CCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001275611620 1205443813 /nfs/dbraw/zinc/44/38/13/1205443813.db2.gz GJORCDPYAPBBQT-SNVBAGLBSA-N -1 1 338.354 2.178 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001412657746 1205816100 /nfs/dbraw/zinc/81/61/00/1205816100.db2.gz KGNBICTVOOQGAB-CQSZACIVSA-N -1 1 330.771 2.359 20 0 EEADMM CC(C)(O)[C@@H]1CCCN1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932049731 1207523501 /nfs/dbraw/zinc/52/35/01/1207523501.db2.gz XFIOJWRBHLRFMY-AWEZNQCLSA-N -1 1 330.388 2.345 20 0 EEADMM O=C(NCCCC1(O)CCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932057569 1207526585 /nfs/dbraw/zinc/52/65/85/1207526585.db2.gz RZZWEEVHJPGXHA-UHFFFAOYSA-N -1 1 330.388 2.395 20 0 EEADMM N#Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1[O-] ZINC000188605401 1208764630 /nfs/dbraw/zinc/76/46/30/1208764630.db2.gz CLCMIIVDIWPINU-UHFFFAOYSA-N -1 1 333.706 2.131 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000948138009 1208898060 /nfs/dbraw/zinc/89/80/60/1208898060.db2.gz LPEPBSFFWDWKJK-KUHUBIRLSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@H]1CN(C(=O)CC(C)C)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000948263225 1208991263 /nfs/dbraw/zinc/99/12/63/1208991263.db2.gz WYRFJROGCVXFAJ-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000948666235 1209284283 /nfs/dbraw/zinc/28/42/83/1209284283.db2.gz ITMNWDZVVFRCID-UKRRQHHQSA-N -1 1 343.427 2.254 20 0 EEADMM CN(C)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])cn1 ZINC000189980675 1209395654 /nfs/dbraw/zinc/39/56/54/1209395654.db2.gz CTHMFJBYMRTHHS-UHFFFAOYSA-N -1 1 337.177 2.263 20 0 EEADMM CC[C@@]1(C)C[C@H]1C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC000949403412 1209668968 /nfs/dbraw/zinc/66/89/68/1209668968.db2.gz HGSBWWCLAVNYBY-LIRRHRJNSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000950594307 1210295008 /nfs/dbraw/zinc/29/50/08/1210295008.db2.gz HRDXFSFOKNZOMK-QLFBSQMISA-N -1 1 343.427 2.110 20 0 EEADMM C#CCCCC(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000192110474 1210423221 /nfs/dbraw/zinc/42/32/21/1210423221.db2.gz OTIGTBQPNILGBG-UHFFFAOYSA-N -1 1 327.153 2.153 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1)c1ncccc1[O-] ZINC000951239811 1210695357 /nfs/dbraw/zinc/69/53/57/1210695357.db2.gz BJZOLRUMCRWQEL-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ccc(F)s2)C1)c1ncccc1[O-] ZINC000951247517 1210700508 /nfs/dbraw/zinc/70/05/08/1210700508.db2.gz KLYXGQMIJQOFJE-SNVBAGLBSA-N -1 1 349.387 2.022 20 0 EEADMM Cc1cccn2cc(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)nc12 ZINC000080647246 1211001668 /nfs/dbraw/zinc/00/16/68/1211001668.db2.gz IGJJNZXRFGBVNM-UHFFFAOYSA-N -1 1 339.399 2.088 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000953152050 1211683069 /nfs/dbraw/zinc/68/30/69/1211683069.db2.gz WKTSOSCRABHEFC-SFHVURJKSA-N -1 1 347.390 2.115 20 0 EEADMM O=C(CC1CCC1)N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000953335705 1211767699 /nfs/dbraw/zinc/76/76/99/1211767699.db2.gz YWOPADFXMKSPQJ-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)CC1CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000953665906 1211942259 /nfs/dbraw/zinc/94/22/59/1211942259.db2.gz RAELJKNNRDIANR-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM C/C(=C/C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000953888273 1212190419 /nfs/dbraw/zinc/19/04/19/1212190419.db2.gz MTQGZIIYVPAHTQ-SEYXRHQNSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)C1CC(C(C)(C)C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954579320 1212402353 /nfs/dbraw/zinc/40/23/53/1212402353.db2.gz OKMFZLPOLCDNGG-UHFFFAOYSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ccc(F)s2)CN1C(=O)c1ncccc1[O-] ZINC001012507415 1225393419 /nfs/dbraw/zinc/39/34/19/1225393419.db2.gz SSOYXYVVMPTUFJ-VHSXEESVSA-N -1 1 349.387 2.021 20 0 EEADMM CC[C@@H]1CCCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955178078 1212886346 /nfs/dbraw/zinc/88/63/46/1212886346.db2.gz RFXVKIYAXAUVSC-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1=CCCC1 ZINC000955623161 1213216170 /nfs/dbraw/zinc/21/61/70/1213216170.db2.gz QMPUFNFKKDKFAS-OCCSQVGLSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C2(F)CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955655061 1213239434 /nfs/dbraw/zinc/23/94/34/1213239434.db2.gz QOTQEEJNYHZDCJ-STQMWFEESA-N -1 1 349.406 2.179 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000955979093 1213447200 /nfs/dbraw/zinc/44/72/00/1213447200.db2.gz YCOVZHYXVSMFDK-QLFBSQMISA-N -1 1 345.443 2.190 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)N1CCC(C)(NC(=O)c2cnn[nH]2)CC1 ZINC000956417632 1213812854 /nfs/dbraw/zinc/81/28/54/1213812854.db2.gz CYBYDSRGVSDDNA-CYBMUJFWSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000959052022 1214110988 /nfs/dbraw/zinc/11/09/88/1214110988.db2.gz IEPVYRUJFIUUTH-NWDGAFQWSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@@H](NC(=O)c1ccccc1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000959130519 1214231183 /nfs/dbraw/zinc/23/11/83/1214231183.db2.gz KWVIVYJCBRNNRH-HIFRSBDPSA-N -1 1 339.395 2.068 20 0 EEADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2)C1CCCC1 ZINC000957860107 1215461602 /nfs/dbraw/zinc/46/16/02/1215461602.db2.gz AFUIDHPQSVGOJI-CFVMTHIKSA-N -1 1 343.427 2.087 20 0 EEADMM 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Fc1ccc(OCc2cc(-c3ccco3)on2)c(-c2nn[n-]n2)n1 ZINC001609491186 1351996653 /nfs/dbraw/zinc/99/66/53/1351996653.db2.gz MACQQALUNNZDES-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1ccc(OCCCOCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC001609491353 1351996790 /nfs/dbraw/zinc/99/67/90/1351996790.db2.gz ZSQSQSDJCUXSMU-UHFFFAOYSA-N -1 1 329.335 2.387 20 0 EEADMM Fc1ccc(OCCCOCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC001609491353 1351996792 /nfs/dbraw/zinc/99/67/92/1351996792.db2.gz ZSQSQSDJCUXSMU-UHFFFAOYSA-N -1 1 329.335 2.387 20 0 EEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)ccc2o1 ZINC000007940310 1352004842 /nfs/dbraw/zinc/00/48/42/1352004842.db2.gz CTAOUQCXROJZQA-UHFFFAOYSA-N -1 1 343.364 2.432 20 0 EEADMM O=C(NCc1cccc(Cl)c1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001609556216 1352015708 /nfs/dbraw/zinc/01/57/08/1352015708.db2.gz HIQVYZUWNADHBH-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(NCc1cccc(Cl)c1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001609556216 1352015711 /nfs/dbraw/zinc/01/57/11/1352015711.db2.gz HIQVYZUWNADHBH-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM CCn1c(C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc2ccccc21 ZINC001332213107 1335768504 /nfs/dbraw/zinc/76/85/04/1335768504.db2.gz RCUPTHJRGVNFIW-LBPRGKRZSA-N -1 1 344.444 2.399 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571986 1352020140 /nfs/dbraw/zinc/02/01/40/1352020140.db2.gz WWBFTSVUDMAYIT-JLLWLGSASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571986 1352020146 /nfs/dbraw/zinc/02/01/46/1352020146.db2.gz WWBFTSVUDMAYIT-JLLWLGSASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571986 1352020150 /nfs/dbraw/zinc/02/01/50/1352020150.db2.gz WWBFTSVUDMAYIT-JLLWLGSASA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571986 1352020155 /nfs/dbraw/zinc/02/01/55/1352020155.db2.gz WWBFTSVUDMAYIT-JLLWLGSASA-N -1 1 333.417 2.146 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCC[C@H]1c1ncon1 ZINC001609581684 1352026616 /nfs/dbraw/zinc/02/66/16/1352026616.db2.gz CHCFGVBULIVOGC-VIFPVBQESA-N -1 1 345.388 2.069 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCC[C@H]1c1ncon1 ZINC001609581684 1352026618 /nfs/dbraw/zinc/02/66/18/1352026618.db2.gz CHCFGVBULIVOGC-VIFPVBQESA-N -1 1 345.388 2.069 20 0 EEADMM C[C@@](O)(CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001609784995 1352084776 /nfs/dbraw/zinc/08/47/76/1352084776.db2.gz QRNDSNUAHJSOPX-MAUKXSAKSA-N -1 1 329.400 2.439 20 0 EEADMM CC[C@](C)(NCC(=O)Nc1ccnn1CC1CCCCC1)C(=O)[O-] ZINC001609897100 1352113842 /nfs/dbraw/zinc/11/38/42/1352113842.db2.gz JRTXMINHKWVPFT-KRWDZBQOSA-N -1 1 336.436 2.245 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001609907452 1352116634 /nfs/dbraw/zinc/11/66/34/1352116634.db2.gz FNZOAXBOWYFQBT-GFCCVEGCSA-N -1 1 337.395 2.401 20 0 EEADMM CCC(CC)(NCc1nc(N)nc(Nc2ccccc2C)n1)C(=O)[O-] ZINC001609916391 1352119029 /nfs/dbraw/zinc/11/90/29/1352119029.db2.gz GZYCXHILOPMUOM-UHFFFAOYSA-N -1 1 344.419 2.239 20 0 EEADMM CCc1ccc(NS(=O)(=O)c2cc(C)cnc2N)c(C(=O)[O-])c1 ZINC001610062559 1352153080 /nfs/dbraw/zinc/15/30/80/1352153080.db2.gz ISUIXRDLRPZGJG-UHFFFAOYSA-N -1 1 335.385 2.034 20 0 EEADMM O=C(CCC[C@H](O)c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847092663 1337864956 /nfs/dbraw/zinc/86/49/56/1337864956.db2.gz ULPYLFBMMZTOSH-GJZGRUSLSA-N -1 1 345.399 2.385 20 0 EEADMM COC(=O)c1cc(CN(C)[C@H](CO)c2ccccc2)cc(C(=O)[O-])c1 ZINC001610197391 1352183521 /nfs/dbraw/zinc/18/35/21/1352183521.db2.gz OVDRHIAZVIVFAS-QGZVFWFLSA-N -1 1 343.379 2.337 20 0 EEADMM CC(C)[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C1(CO)CCCC1 ZINC000848248275 1338609890 /nfs/dbraw/zinc/60/98/90/1338609890.db2.gz DSAMVLAYZBOLDX-AWEZNQCLSA-N -1 1 348.472 2.325 20 0 EEADMM CC(C)SCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848342636 1338684650 /nfs/dbraw/zinc/68/46/50/1338684650.db2.gz WRUUISBVZDTMNB-NXEZZACHSA-N -1 1 326.384 2.186 20 0 EEADMM C[C@H]1CC[N@@H+](CCC(C)(C)C(=O)[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001610398090 1352216571 /nfs/dbraw/zinc/21/65/71/1352216571.db2.gz SDMKEUAKKRIONH-DCAQKATOSA-N -1 1 338.370 2.265 20 0 EEADMM Cc1[nH]c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c(C)c1C(=O)[O-] ZINC001610399112 1352216769 /nfs/dbraw/zinc/21/67/69/1352216769.db2.gz NORKKWFCKDDRPW-UHFFFAOYSA-N -1 1 330.319 2.275 20 0 EEADMM Cc1[nH]c(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001610402311 1352217224 /nfs/dbraw/zinc/21/72/24/1352217224.db2.gz QETLTOIILKGGFU-AGIUHOORSA-N -1 1 348.399 2.230 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)n1C1CC1 ZINC001610434430 1352221871 /nfs/dbraw/zinc/22/18/71/1352221871.db2.gz AIDUFOZCTCPLCU-ZDUSSCGKSA-N -1 1 333.432 2.061 20 0 EEADMM Cc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c(C(C)C)n1 ZINC001610484051 1352230758 /nfs/dbraw/zinc/23/07/58/1352230758.db2.gz QCCYUYYDTBWHEC-UHFFFAOYSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610526841 1352238965 /nfs/dbraw/zinc/23/89/65/1352238965.db2.gz AOZUDAULCJQXHX-YOEHRIQHSA-N -1 1 345.443 2.173 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001610596316 1352251281 /nfs/dbraw/zinc/25/12/81/1352251281.db2.gz NWMZTVWXJYWKTK-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN[C@@H](CCO)c1ccccc1 ZINC001610667142 1352258763 /nfs/dbraw/zinc/25/87/63/1352258763.db2.gz ZMHTWMHJKORHSN-HNNXBMFYSA-N -1 1 328.368 2.037 20 0 EEADMM Cc1ccoc1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428371475 1339483046 /nfs/dbraw/zinc/48/30/46/1339483046.db2.gz RLKQREAUGRNOTK-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)s1 ZINC001610821914 1352280672 /nfs/dbraw/zinc/28/06/72/1352280672.db2.gz VNFPWASMWCXFKC-LLVKDONJSA-N -1 1 342.380 2.278 20 0 EEADMM O=C([O-])c1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)[nH]1 ZINC001610826384 1352281270 /nfs/dbraw/zinc/28/12/70/1352281270.db2.gz WVTPRNMUBOMTCI-UHFFFAOYSA-N -1 1 337.383 2.458 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCC(=O)c4cccn43)[nH]c21 ZINC001610849829 1352285264 /nfs/dbraw/zinc/28/52/64/1352285264.db2.gz BFZLOTKRLCEOHG-GFCCVEGCSA-N -1 1 338.323 2.219 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN(Cc2ccccn2)C2CC2)cc1 ZINC001610836765 1352283068 /nfs/dbraw/zinc/28/30/68/1352283068.db2.gz KTJNYHPEPNBOOD-QGZVFWFLSA-N -1 1 342.395 2.184 20 0 EEADMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)ccc1[N+](=O)[O-] ZINC000016208586 1352354349 /nfs/dbraw/zinc/35/43/49/1352354349.db2.gz YXKUSZVDUQOSOQ-UHFFFAOYSA-N -1 1 331.280 2.354 20 0 EEADMM CC(C)(C)CC(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432863351 1341418728 /nfs/dbraw/zinc/41/87/28/1341418728.db2.gz VUQJVHQOEAALFR-GOSISDBHSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H]1C[C@@H]1C(=O)N(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001433058402 1341484187 /nfs/dbraw/zinc/48/41/87/1341484187.db2.gz ZIFVVEWQSMJQGQ-HIFRSBDPSA-N -1 1 345.443 2.144 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)sn1 ZINC001561095943 1342523058 /nfs/dbraw/zinc/52/30/58/1342523058.db2.gz NFURZVLBBCVVGR-UHFFFAOYSA-N -1 1 348.453 2.175 20 0 EEADMM CC1(C)COc2c1cccc2C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575746233 1343867307 /nfs/dbraw/zinc/86/73/07/1343867307.db2.gz KWDCQVDSXDYPIR-UHFFFAOYSA-N -1 1 336.355 2.184 20 0 EEADMM CC1(C)COc2c1cccc2C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575746233 1343867310 /nfs/dbraw/zinc/86/73/10/1343867310.db2.gz KWDCQVDSXDYPIR-UHFFFAOYSA-N -1 1 336.355 2.184 20 0 EEADMM CC[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001576507410 1344023160 /nfs/dbraw/zinc/02/31/60/1344023160.db2.gz ZVILYPXLOCOAPG-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM CC[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001576507410 1344023165 /nfs/dbraw/zinc/02/31/65/1344023165.db2.gz ZVILYPXLOCOAPG-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001580049725 1344459329 /nfs/dbraw/zinc/45/93/29/1344459329.db2.gz PFQDRJZFLVHKAK-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001580049725 1344459332 /nfs/dbraw/zinc/45/93/32/1344459332.db2.gz PFQDRJZFLVHKAK-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C[C@H](C)O1 ZINC001580446439 1344521929 /nfs/dbraw/zinc/52/19/29/1344521929.db2.gz DQTLEZLXSFLAEL-BDAKNGLRSA-N -1 1 342.325 2.284 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001580446439 1344521930 /nfs/dbraw/zinc/52/19/30/1344521930.db2.gz DQTLEZLXSFLAEL-BDAKNGLRSA-N -1 1 342.325 2.284 20 0 EEADMM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)c(Cl)n1)CC2 ZINC001581215276 1344599952 /nfs/dbraw/zinc/59/99/52/1344599952.db2.gz UGYUHILXRXBNPL-UHFFFAOYSA-N -1 1 340.774 2.426 20 0 EEADMM O=C(CSc1ccnc(-c2nnn[n-]2)c1)Nc1ccc(F)cc1 ZINC001582133721 1344704977 /nfs/dbraw/zinc/70/49/77/1344704977.db2.gz SQYYFKOJAISCSG-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(CSc1ccnc(-c2nn[n-]n2)c1)Nc1ccc(F)cc1 ZINC001582133721 1344704981 /nfs/dbraw/zinc/70/49/81/1344704981.db2.gz SQYYFKOJAISCSG-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001582338179 1344736589 /nfs/dbraw/zinc/73/65/89/1344736589.db2.gz YNFYIBWQTCNGCF-LBPRGKRZSA-N -1 1 345.815 2.479 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001582664319 1344780379 /nfs/dbraw/zinc/78/03/79/1344780379.db2.gz AINNMANCOIYJCN-UHFFFAOYSA-N -1 1 343.293 2.007 20 0 EEADMM Brc1csc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001588325139 1348887203 /nfs/dbraw/zinc/88/72/03/1348887203.db2.gz QZMZNEMZAQPYGK-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1csc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001588325139 1348887209 /nfs/dbraw/zinc/88/72/09/1348887209.db2.gz QZMZNEMZAQPYGK-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM C(=Cc1ccccc1)c1nnnn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588381552 1348899452 /nfs/dbraw/zinc/89/94/52/1348899452.db2.gz HZWKPCVDLLSZGD-TWGQIWQCSA-N -1 1 336.384 2.133 20 0 EEADMM CC(C)(C)OC(=O)C1(C)CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589149374 1348965729 /nfs/dbraw/zinc/96/57/29/1348965729.db2.gz PNJDXOXMVFVCMV-UHFFFAOYSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C1(C)CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589149374 1348965733 /nfs/dbraw/zinc/96/57/33/1348965733.db2.gz PNJDXOXMVFVCMV-UHFFFAOYSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001589234450 1348973753 /nfs/dbraw/zinc/97/37/53/1348973753.db2.gz SAZVKVDHTSDNPR-UHFFFAOYSA-N -1 1 343.416 2.197 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001589234450 1348973755 /nfs/dbraw/zinc/97/37/55/1348973755.db2.gz SAZVKVDHTSDNPR-UHFFFAOYSA-N -1 1 343.416 2.197 20 0 EEADMM CC(C)(/C=C/Cl)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589264481 1348976375 /nfs/dbraw/zinc/97/63/75/1348976375.db2.gz VQVGBVSUNULWNS-ONEGZZNKSA-N -1 1 327.722 2.406 20 0 EEADMM CC(C)(/C=C/Cl)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589264481 1348976395 /nfs/dbraw/zinc/97/63/95/1348976395.db2.gz VQVGBVSUNULWNS-ONEGZZNKSA-N -1 1 327.722 2.406 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001589372595 1348988121 /nfs/dbraw/zinc/98/81/21/1348988121.db2.gz UEXFTFIVAKROHY-TZMCWYRMSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001589372595 1348988124 /nfs/dbraw/zinc/98/81/24/1348988124.db2.gz UEXFTFIVAKROHY-TZMCWYRMSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)C[C@H](C)C[C@@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589549754 1349002968 /nfs/dbraw/zinc/00/29/68/1349002968.db2.gz GPUSXBQZWGQSQW-QJPTWQEYSA-N -1 1 335.412 2.023 20 0 EEADMM CC(C)CON=c1c(-c2nn[n-]n2)c[nH]c2c(F)c(F)c(F)cc21 ZINC001589647543 1349015945 /nfs/dbraw/zinc/01/59/45/1349015945.db2.gz YMQSUUJRTFFCPT-UHFFFAOYSA-N -1 1 338.293 2.254 20 0 EEADMM CC(C)Oc1ccccc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001589760219 1349032329 /nfs/dbraw/zinc/03/23/29/1349032329.db2.gz BYCAYCDERYYRGB-UHFFFAOYSA-N -1 1 330.417 2.400 20 0 EEADMM CC(C)Oc1ccccc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001589760219 1349032330 /nfs/dbraw/zinc/03/23/30/1349032330.db2.gz BYCAYCDERYYRGB-UHFFFAOYSA-N -1 1 330.417 2.400 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001590052213 1349131213 /nfs/dbraw/zinc/13/12/13/1349131213.db2.gz YCULPQFIXRIFCV-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001590052213 1349131222 /nfs/dbraw/zinc/13/12/22/1349131222.db2.gz YCULPQFIXRIFCV-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590243442 1349221187 /nfs/dbraw/zinc/22/11/87/1349221187.db2.gz KNKMTEALOWLJBX-NXEZZACHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590243442 1349221192 /nfs/dbraw/zinc/22/11/92/1349221192.db2.gz KNKMTEALOWLJBX-NXEZZACHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cccc(-c4nnn[n-]4)n3)C2)C1 ZINC001590242238 1349221825 /nfs/dbraw/zinc/22/18/25/1349221825.db2.gz UQUFPLBBUSIONZ-ZBEGNZNMSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cccc(-c4nn[n-]n4)n3)C2)C1 ZINC001590242238 1349221836 /nfs/dbraw/zinc/22/18/36/1349221836.db2.gz UQUFPLBBUSIONZ-ZBEGNZNMSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590329589 1349268148 /nfs/dbraw/zinc/26/81/48/1349268148.db2.gz OZLJINVRNBHZCM-ZUZCIYMTSA-N -1 1 337.339 2.188 20 0 EEADMM C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590329589 1349268152 /nfs/dbraw/zinc/26/81/52/1349268152.db2.gz OZLJINVRNBHZCM-ZUZCIYMTSA-N -1 1 337.339 2.188 20 0 EEADMM CCC(C)(C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590377404 1349293264 /nfs/dbraw/zinc/29/32/64/1349293264.db2.gz WAIFSZKNXOQQRP-UHFFFAOYSA-N -1 1 328.298 2.199 20 0 EEADMM CC[C@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1ccccc1F ZINC001590447049 1349328417 /nfs/dbraw/zinc/32/84/17/1349328417.db2.gz XFOUSSYZEGCUHU-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1ccccc1F ZINC001590447049 1349328426 /nfs/dbraw/zinc/32/84/26/1349328426.db2.gz XFOUSSYZEGCUHU-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590450818 1349331997 /nfs/dbraw/zinc/33/19/97/1349331997.db2.gz VAZSOXLMRCQHGD-CYBMUJFWSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590450818 1349332003 /nfs/dbraw/zinc/33/20/03/1349332003.db2.gz VAZSOXLMRCQHGD-CYBMUJFWSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001590459027 1349335701 /nfs/dbraw/zinc/33/57/01/1349335701.db2.gz FICMQEPQCPDXRK-CYBMUJFWSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001590459027 1349335711 /nfs/dbraw/zinc/33/57/11/1349335711.db2.gz FICMQEPQCPDXRK-CYBMUJFWSA-N -1 1 344.325 2.421 20 0 EEADMM CCC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H](O)c1ccccc1 ZINC001590559154 1349371421 /nfs/dbraw/zinc/37/14/21/1349371421.db2.gz KZXRSFRCWBXELQ-CZUORRHYSA-N -1 1 339.403 2.279 20 0 EEADMM CCC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H](O)c1ccccc1 ZINC001590559154 1349371423 /nfs/dbraw/zinc/37/14/23/1349371423.db2.gz KZXRSFRCWBXELQ-CZUORRHYSA-N -1 1 339.403 2.279 20 0 EEADMM CCc1nn(C[C@@H]2CCC[C@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929536 1349415427 /nfs/dbraw/zinc/41/54/27/1349415427.db2.gz BNGOHIZJOPOBTG-NWDGAFQWSA-N -1 1 330.436 2.375 20 0 EEADMM COC1(c2ccccc2)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001591347134 1349465361 /nfs/dbraw/zinc/46/53/61/1349465361.db2.gz YGCVBTBFRSXBLZ-UHFFFAOYSA-N -1 1 348.819 2.339 20 0 EEADMM COC1(c2ccccc2)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591347134 1349465367 /nfs/dbraw/zinc/46/53/67/1349465367.db2.gz YGCVBTBFRSXBLZ-UHFFFAOYSA-N -1 1 348.819 2.339 20 0 EEADMM COC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001591382515 1349475925 /nfs/dbraw/zinc/47/59/25/1349475925.db2.gz UJEBUJKDYPTDSQ-LBPRGKRZSA-N -1 1 347.375 2.185 20 0 EEADMM COc1cccc(OC)c1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591644575 1349522501 /nfs/dbraw/zinc/52/25/01/1349522501.db2.gz IWFQJJMLIZRJAC-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1cccc(OC)c1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591644575 1349522510 /nfs/dbraw/zinc/52/25/10/1349522510.db2.gz IWFQJJMLIZRJAC-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM Cc1cc(NC[C@H]2COC3(CCCCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001592044672 1349587405 /nfs/dbraw/zinc/58/74/05/1349587405.db2.gz INEPUDPSZULWCG-ZDUSSCGKSA-N -1 1 330.392 2.058 20 0 EEADMM Cc1cc(NC[C@H]2COC3(CCCCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001592044672 1349587409 /nfs/dbraw/zinc/58/74/09/1349587409.db2.gz INEPUDPSZULWCG-ZDUSSCGKSA-N -1 1 330.392 2.058 20 0 EEADMM Cc1cccnc1CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592263277 1349614309 /nfs/dbraw/zinc/61/43/09/1349614309.db2.gz ZGDOAGHASPJXEE-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc3c2CCCCC3)c1-c1nn[n-]n1 ZINC001592332246 1349621955 /nfs/dbraw/zinc/62/19/55/1349621955.db2.gz COMSBUZHGBQLRD-UHFFFAOYSA-N -1 1 337.387 2.419 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(F)c3occc32)c1-c1nnn[n-]1 ZINC001592433016 1349631866 /nfs/dbraw/zinc/63/18/66/1349631866.db2.gz QJBHJIIWSAASIM-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(F)c3occc32)c1-c1nn[n-]n1 ZINC001592433016 1349631868 /nfs/dbraw/zinc/63/18/68/1349631868.db2.gz QJBHJIIWSAASIM-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1nsc(NC(=O)N(C)CCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592479962 1349635292 /nfs/dbraw/zinc/63/52/92/1349635292.db2.gz RYLBIFZDDVKOMR-UHFFFAOYSA-N -1 1 335.315 2.048 20 0 EEADMM Cc1nsc(NC(=O)N(C)CCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592479962 1349635294 /nfs/dbraw/zinc/63/52/94/1349635294.db2.gz RYLBIFZDDVKOMR-UHFFFAOYSA-N -1 1 335.315 2.048 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC=C(c2ccco2)C1 ZINC001592496669 1349637211 /nfs/dbraw/zinc/63/72/11/1349637211.db2.gz ISUFBSVOYZTAFN-UHFFFAOYSA-N -1 1 325.328 2.291 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC=C(c2ccco2)C1 ZINC001592496669 1349637212 /nfs/dbraw/zinc/63/72/12/1349637212.db2.gz ISUFBSVOYZTAFN-UHFFFAOYSA-N -1 1 325.328 2.291 20 0 EEADMM Cl/C=C(/Cl)CN1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592523728 1349645778 /nfs/dbraw/zinc/64/57/78/1349645778.db2.gz JUXSJVWUTMJITF-VQHVLOKHSA-N -1 1 345.259 2.369 20 0 EEADMM Clc1nsc(N2CCC[C@@H](OCC3CC3)C2)c1-c1nnn[n-]1 ZINC001592538563 1349652349 /nfs/dbraw/zinc/65/23/49/1349652349.db2.gz XLZUGUFGRJPTDP-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC[C@@H](OCC3CC3)C2)c1-c1nn[n-]n1 ZINC001592538563 1349652350 /nfs/dbraw/zinc/65/23/50/1349652350.db2.gz XLZUGUFGRJPTDP-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1sc(NCCn2cnc3ccccc32)nc1-c1nn[n-]n1 ZINC001592542745 1349653528 /nfs/dbraw/zinc/65/35/28/1349653528.db2.gz JEMAQLOZCPKNIC-UHFFFAOYSA-N -1 1 346.807 2.438 20 0 EEADMM Clc1sc(N2CCC(n3cccn3)CC2)nc1-c1nn[n-]n1 ZINC001592541808 1349653579 /nfs/dbraw/zinc/65/35/79/1349653579.db2.gz PIWSHKZKVRVPSW-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM Cn1nccc1C1=CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001592607071 1349669321 /nfs/dbraw/zinc/66/93/21/1349669321.db2.gz UFEULQDOKKPOAA-UHFFFAOYSA-N -1 1 348.823 2.004 20 0 EEADMM Cn1nccc1C1=CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001592607071 1349669323 /nfs/dbraw/zinc/66/93/23/1349669323.db2.gz UFEULQDOKKPOAA-UHFFFAOYSA-N -1 1 348.823 2.004 20 0 EEADMM FC(F)(F)[C@@H]1C[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001592618392 1349673094 /nfs/dbraw/zinc/67/30/94/1349673094.db2.gz RXZFFSJOKFXAGB-IONNQARKSA-N -1 1 335.293 2.420 20 0 EEADMM FC(F)(F)[C@@H]1C[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001592618392 1349673102 /nfs/dbraw/zinc/67/31/02/1349673102.db2.gz RXZFFSJOKFXAGB-IONNQARKSA-N -1 1 335.293 2.420 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2COC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618780 1349673537 /nfs/dbraw/zinc/67/35/37/1349673537.db2.gz WVBHNIWYBKYLID-SECBINFHSA-N -1 1 340.309 2.404 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2COC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618780 1349673542 /nfs/dbraw/zinc/67/35/42/1349673542.db2.gz WVBHNIWYBKYLID-SECBINFHSA-N -1 1 340.309 2.404 20 0 EEADMM FC(F)(F)Cc1noc(CSCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001592616479 1349674154 /nfs/dbraw/zinc/67/41/54/1349674154.db2.gz QWRFPCJPVXGHCH-UHFFFAOYSA-N -1 1 346.294 2.381 20 0 EEADMM FC(F)(F)Cc1noc(CSCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001592616479 1349674158 /nfs/dbraw/zinc/67/41/58/1349674158.db2.gz QWRFPCJPVXGHCH-UHFFFAOYSA-N -1 1 346.294 2.381 20 0 EEADMM FC(F)(F)c1ccc(Sc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001592621328 1349675514 /nfs/dbraw/zinc/67/55/14/1349675514.db2.gz RCUCXOSFQKEJEX-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM FC(F)(F)c1ccc(Sc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001592621328 1349675518 /nfs/dbraw/zinc/67/55/18/1349675518.db2.gz RCUCXOSFQKEJEX-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCc1ccc(C2CC2)cc1 ZINC001592753273 1349712887 /nfs/dbraw/zinc/71/28/87/1349712887.db2.gz OCQGSXBWRWBIHY-UHFFFAOYSA-N -1 1 337.387 2.186 20 0 EEADMM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001592968314 1349730360 /nfs/dbraw/zinc/73/03/60/1349730360.db2.gz HPWFZQNTADRDAD-AAEUAGOBSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001592965693 1349730407 /nfs/dbraw/zinc/73/04/07/1349730407.db2.gz KFJFGMWUDXCEHG-IUODEOHRSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001592965693 1349730412 /nfs/dbraw/zinc/73/04/12/1349730412.db2.gz KFJFGMWUDXCEHG-IUODEOHRSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1CCCC1(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592976807 1349731549 /nfs/dbraw/zinc/73/15/49/1349731549.db2.gz IMZIYLPVJLNEMW-JTQLQIEISA-N -1 1 332.314 2.266 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cnc(C2CC2)s1 ZINC001593196421 1349745062 /nfs/dbraw/zinc/74/50/62/1349745062.db2.gz PHKMPUIMMSQOIB-UHFFFAOYSA-N -1 1 342.388 2.053 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001593259513 1349754256 /nfs/dbraw/zinc/75/42/56/1349754256.db2.gz BFGIDDDOVDDFBS-UONOGXRCSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1ccsc1-c1nnn[n-]1 ZINC001593287384 1349764559 /nfs/dbraw/zinc/76/45/59/1349764559.db2.gz HCRHIQJIVACPJV-UHFFFAOYSA-N -1 1 336.295 2.054 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1ccsc1-c1nn[n-]n1 ZINC001593287384 1349764561 /nfs/dbraw/zinc/76/45/61/1349764561.db2.gz HCRHIQJIVACPJV-UHFFFAOYSA-N -1 1 336.295 2.054 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnn(CC2CCCC2)c1 ZINC001593298025 1349772215 /nfs/dbraw/zinc/77/22/15/1349772215.db2.gz WRYIVKKEGJUCEV-UHFFFAOYSA-N -1 1 342.359 2.203 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnn(CC2CCCC2)c1 ZINC001593298025 1349772225 /nfs/dbraw/zinc/77/22/25/1349772225.db2.gz WRYIVKKEGJUCEV-UHFFFAOYSA-N -1 1 342.359 2.203 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccsc1 ZINC001593301623 1349774118 /nfs/dbraw/zinc/77/41/18/1349774118.db2.gz MDOXIEVBQVRBIP-NWDGAFQWSA-N -1 1 327.369 2.170 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccsc1 ZINC001593301623 1349774123 /nfs/dbraw/zinc/77/41/23/1349774123.db2.gz MDOXIEVBQVRBIP-NWDGAFQWSA-N -1 1 327.369 2.170 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2c1cccc2F ZINC001593327743 1349780792 /nfs/dbraw/zinc/78/07/92/1349780792.db2.gz IUWXSRRFMNBTQW-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2c1cccc2F ZINC001593327743 1349780795 /nfs/dbraw/zinc/78/07/95/1349780795.db2.gz IUWXSRRFMNBTQW-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CC(F)F)C1CC1 ZINC001593328964 1349781498 /nfs/dbraw/zinc/78/14/98/1349781498.db2.gz AKNFWYHEHSSOEA-UHFFFAOYSA-N -1 1 329.257 2.015 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CC(F)F)C1CC1 ZINC001593328964 1349781503 /nfs/dbraw/zinc/78/15/03/1349781503.db2.gz AKNFWYHEHSSOEA-UHFFFAOYSA-N -1 1 329.257 2.015 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCc2cc(F)cc(F)c21 ZINC001593339767 1349784965 /nfs/dbraw/zinc/78/49/65/1349784965.db2.gz WQEFTYZBIITOPN-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2c(Cl)cccc2C1 ZINC001593358724 1349789348 /nfs/dbraw/zinc/78/93/48/1349789348.db2.gz LPKOUNRPDHDGOY-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2c(Cl)cccc2C1 ZINC001593358724 1349789349 /nfs/dbraw/zinc/78/93/49/1349789349.db2.gz LPKOUNRPDHDGOY-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(OC2CCC2)CC1 ZINC001593371837 1349792834 /nfs/dbraw/zinc/79/28/34/1349792834.db2.gz VEVPEBPNIPLABU-UHFFFAOYSA-N -1 1 333.417 2.102 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1CCCC1CCC1 ZINC001593490152 1349816794 /nfs/dbraw/zinc/81/67/94/1349816794.db2.gz CGOKIXSTFNUJKZ-UHFFFAOYSA-N -1 1 338.209 2.371 20 0 EEADMM c1cc(CNc2ccc(N3CCCCC3)nc2)nc(-c2nn[n-]n2)c1 ZINC001593554295 1349845638 /nfs/dbraw/zinc/84/56/38/1349845638.db2.gz OPRFBETVCUUNLE-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM 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CC[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001603978551 1350818060 /nfs/dbraw/zinc/81/80/60/1350818060.db2.gz GNZIVRKJEYYWGW-LLVKDONJSA-N -1 1 346.391 2.272 20 0 EEADMM CC[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001603978551 1350818062 /nfs/dbraw/zinc/81/80/62/1350818062.db2.gz GNZIVRKJEYYWGW-LLVKDONJSA-N -1 1 346.391 2.272 20 0 EEADMM CC[C@](C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC001603986844 1350821346 /nfs/dbraw/zinc/82/13/46/1350821346.db2.gz IGSOKSDDNJMAQD-HNNXBMFYSA-N -1 1 343.416 2.082 20 0 EEADMM CC[C@](C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC001603986844 1350821349 /nfs/dbraw/zinc/82/13/49/1350821349.db2.gz IGSOKSDDNJMAQD-HNNXBMFYSA-N -1 1 343.416 2.082 20 0 EEADMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604010874 1350828895 /nfs/dbraw/zinc/82/88/95/1350828895.db2.gz APCAVCVDZRBBNT-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604010874 1350828902 /nfs/dbraw/zinc/82/89/02/1350828902.db2.gz APCAVCVDZRBBNT-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604042385 1350837470 /nfs/dbraw/zinc/83/74/70/1350837470.db2.gz OURGTOYDGQNVOZ-OAHLLOKOSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604042385 1350837472 /nfs/dbraw/zinc/83/74/72/1350837472.db2.gz OURGTOYDGQNVOZ-OAHLLOKOSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CCCCO1 ZINC001604063331 1350843737 /nfs/dbraw/zinc/84/37/37/1350843737.db2.gz DCTNENITXPVSCA-AAEUAGOBSA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CCCCO1 ZINC001604063331 1350843742 /nfs/dbraw/zinc/84/37/42/1350843742.db2.gz DCTNENITXPVSCA-AAEUAGOBSA-N -1 1 329.408 2.294 20 0 EEADMM C[C@@](CC(=O)[O-])(NCC(=O)NCCC1CCCCC1)c1ccncc1 ZINC001604089851 1350852994 /nfs/dbraw/zinc/85/29/94/1350852994.db2.gz XUAPDONYBSDIKF-IBGZPJMESA-N -1 1 347.459 2.448 20 0 EEADMM CCCO[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001604228786 1350897916 /nfs/dbraw/zinc/89/79/16/1350897916.db2.gz HLBKOWIQYGSDAW-CYBMUJFWSA-N -1 1 343.435 2.320 20 0 EEADMM CCCO[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001604228786 1350897921 /nfs/dbraw/zinc/89/79/21/1350897921.db2.gz HLBKOWIQYGSDAW-CYBMUJFWSA-N -1 1 343.435 2.320 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604251711 1350902703 /nfs/dbraw/zinc/90/27/03/1350902703.db2.gz BDWPNEOWOXZRMB-UHFFFAOYSA-N -1 1 337.343 2.472 20 0 EEADMM C[C@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(C(=O)[O-])c1 ZINC001604329376 1350916944 /nfs/dbraw/zinc/91/69/44/1350916944.db2.gz JGVVUTJJSIOJQT-SMDDNHRTSA-N -1 1 343.358 2.375 20 0 EEADMM C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cncc(C(=O)[O-])c1 ZINC001604348914 1350921427 /nfs/dbraw/zinc/92/14/27/1350921427.db2.gz CAOZSMGUSGPRPP-LBPRGKRZSA-N -1 1 348.424 2.175 20 0 EEADMM CCOc1cc(C)ccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604447212 1350939724 /nfs/dbraw/zinc/93/97/24/1350939724.db2.gz MYWLWFOHJAKQHB-UHFFFAOYSA-N -1 1 327.344 2.097 20 0 EEADMM CCOc1cc(C)ccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604447212 1350939727 /nfs/dbraw/zinc/93/97/27/1350939727.db2.gz MYWLWFOHJAKQHB-UHFFFAOYSA-N -1 1 327.344 2.097 20 0 EEADMM CCc1ccc([C@@H](COC)NC(=O)c2csc(-c3nn[n-]n3)c2)o1 ZINC001604522456 1350954138 /nfs/dbraw/zinc/95/41/38/1350954138.db2.gz VTGQBTCYSSUXNV-LLVKDONJSA-N -1 1 347.400 2.201 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3ccccc3F)C[C@@H]2C)O1 ZINC001604610799 1350970085 /nfs/dbraw/zinc/97/00/85/1350970085.db2.gz ZOXNKGOEWVZTIQ-JSGCOSHPSA-N -1 1 334.391 2.484 20 0 EEADMM C[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])n2C)C(=O)N1c1ccccc1 ZINC001604675929 1350982469 /nfs/dbraw/zinc/98/24/69/1350982469.db2.gz CAVCLKAJMLFCJO-DOMZBBRYSA-N -1 1 327.384 2.007 20 0 EEADMM C[C@@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@]2(CCOC2)O1 ZINC001604799380 1351008109 /nfs/dbraw/zinc/00/81/09/1351008109.db2.gz IGUYECJHQGTSFX-KDOFPFPSSA-N -1 1 331.412 2.183 20 0 EEADMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(=O)[O-])cc1Br ZINC001604884568 1351024606 /nfs/dbraw/zinc/02/46/06/1351024606.db2.gz VNYUAGMCGMGTMH-NSHDSACASA-N -1 1 330.178 2.442 20 0 EEADMM COC(=O)c1ccc(N[C@H]2CCSC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001604974839 1351042711 /nfs/dbraw/zinc/04/27/11/1351042711.db2.gz MAAZCHDVPAWWPU-VIFPVBQESA-N -1 1 348.432 2.134 20 0 EEADMM COC(=O)c1ccc(N[C@H]2CCSC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001604974839 1351042716 /nfs/dbraw/zinc/04/27/16/1351042716.db2.gz MAAZCHDVPAWWPU-VIFPVBQESA-N -1 1 348.432 2.134 20 0 EEADMM COc1cc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)ccc1F ZINC001605204720 1351102588 /nfs/dbraw/zinc/10/25/88/1351102588.db2.gz CIUZTHYJTDEMAH-VURMDHGXSA-N -1 1 342.334 2.379 20 0 EEADMM COc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c(C)c1 ZINC001605285340 1351124452 /nfs/dbraw/zinc/12/44/52/1351124452.db2.gz HDOSHLYTVUHLLS-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM COc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(C)c1 ZINC001605285340 1351124453 /nfs/dbraw/zinc/12/44/53/1351124453.db2.gz HDOSHLYTVUHLLS-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM CCCN(C)c1ccccc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605305506 1351130914 /nfs/dbraw/zinc/13/09/14/1351130914.db2.gz RJEZWCKDHFLCPZ-UHFFFAOYSA-N -1 1 349.412 2.427 20 0 EEADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(Cl)cn1 ZINC001605440353 1351158546 /nfs/dbraw/zinc/15/85/46/1351158546.db2.gz LACILMHGZBBLBI-ZETCQYMHSA-N -1 1 334.792 2.468 20 0 EEADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(Cl)cn1 ZINC001605440353 1351158548 /nfs/dbraw/zinc/15/85/48/1351158548.db2.gz LACILMHGZBBLBI-ZETCQYMHSA-N -1 1 334.792 2.468 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)n2)cccc1-c1ncco1 ZINC001605498608 1351172455 /nfs/dbraw/zinc/17/24/55/1351172455.db2.gz COAVUZMCSGJWJY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)n2)cccc1-c1ncco1 ZINC001605498608 1351172459 /nfs/dbraw/zinc/17/24/59/1351172459.db2.gz COAVUZMCSGJWJY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2csc(C(C)(C)C)n2)n1 ZINC001605580629 1351193687 /nfs/dbraw/zinc/19/36/87/1351193687.db2.gz CJVMXZORYJNHAE-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2csc(C(C)(C)C)n2)n1 ZINC001605580629 1351193688 /nfs/dbraw/zinc/19/36/88/1351193688.db2.gz CJVMXZORYJNHAE-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001605581197 1351193739 /nfs/dbraw/zinc/19/37/39/1351193739.db2.gz JNMBYGNPSDTVHH-UHFFFAOYSA-N -1 1 348.359 2.044 20 0 EEADMM Cc1cc(C)c(NC(=O)COc2cccnc2-c2nnn[n-]2)c(C)c1 ZINC001605643660 1351209211 /nfs/dbraw/zinc/20/92/11/1351209211.db2.gz PTAHTRKUCQJYPW-UHFFFAOYSA-N -1 1 338.371 2.204 20 0 EEADMM Cc1cc(C)c(NC(=O)COc2cccnc2-c2nn[n-]n2)c(C)c1 ZINC001605643660 1351209215 /nfs/dbraw/zinc/20/92/15/1351209215.db2.gz PTAHTRKUCQJYPW-UHFFFAOYSA-N -1 1 338.371 2.204 20 0 EEADMM CCc1[nH]c(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1C(=O)[O-] ZINC001605773616 1351222013 /nfs/dbraw/zinc/22/20/13/1351222013.db2.gz HMEJLQLSSMGQGT-KRWDZBQOSA-N -1 1 341.411 2.166 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001605838568 1351232731 /nfs/dbraw/zinc/23/27/31/1351232731.db2.gz IPERDTRXTUGFOI-CYBMUJFWSA-N -1 1 337.383 2.492 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001605838568 1351232732 /nfs/dbraw/zinc/23/27/32/1351232732.db2.gz IPERDTRXTUGFOI-CYBMUJFWSA-N -1 1 337.383 2.492 20 0 EEADMM Cc1[nH]nc(NC(=O)CCCOc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001605876654 1351244193 /nfs/dbraw/zinc/24/41/93/1351244193.db2.gz NWLCRKPFNXMGNB-UHFFFAOYSA-N -1 1 341.375 2.004 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001605935611 1351256085 /nfs/dbraw/zinc/25/60/85/1351256085.db2.gz TVLPACUYKJSCOP-SFHVURJKSA-N -1 1 348.410 2.380 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001605935611 1351256088 /nfs/dbraw/zinc/25/60/88/1351256088.db2.gz TVLPACUYKJSCOP-SFHVURJKSA-N -1 1 348.410 2.380 20 0 EEADMM Cc1[nH]nc(NC(=O)C[C@@H](C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC001606013325 1351263411 /nfs/dbraw/zinc/26/34/11/1351263411.db2.gz LWQKDNMEQRAZQJ-MRVPVSSYSA-N -1 1 329.339 2.170 20 0 EEADMM Clc1nsc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001606200751 1351284700 /nfs/dbraw/zinc/28/47/00/1351284700.db2.gz DJLYKIFGYMHKIE-HTQZYQBOSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001606200751 1351284703 /nfs/dbraw/zinc/28/47/03/1351284703.db2.gz DJLYKIFGYMHKIE-HTQZYQBOSA-N -1 1 326.813 2.346 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccc3cncn3c2)c1 ZINC001606577210 1351325422 /nfs/dbraw/zinc/32/54/22/1351325422.db2.gz VFOPLWIUMZXWFH-UHFFFAOYSA-N -1 1 339.307 2.071 20 0 EEADMM CO[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001606704408 1351344527 /nfs/dbraw/zinc/34/45/27/1351344527.db2.gz YRBHOFGAIPGJPG-BZNIZROVSA-N -1 1 340.807 2.151 20 0 EEADMM O=C(NCCC1CC(F)(F)C1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606761676 1351353353 /nfs/dbraw/zinc/35/33/53/1351353353.db2.gz RIGQDGZVJVIWTM-UHFFFAOYSA-N -1 1 342.737 2.080 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCC(F)(F)C1 ZINC001606950117 1351383001 /nfs/dbraw/zinc/38/30/01/1351383001.db2.gz QWCLBTITKXHYBY-BYPYZUCNSA-N -1 1 349.754 2.286 20 0 EEADMM COc1c(C)ccc(NS(=O)(=O)c2cccnc2C(=O)[O-])c1C ZINC001607013533 1351396770 /nfs/dbraw/zinc/39/67/70/1351396770.db2.gz JWXGDCFBPXBJOE-UHFFFAOYSA-N -1 1 336.369 2.206 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccsc1 ZINC001607026003 1351400558 /nfs/dbraw/zinc/40/05/58/1351400558.db2.gz SRQISHATPDWHHQ-ZDUSSCGKSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccsc1 ZINC001607026003 1351400562 /nfs/dbraw/zinc/40/05/62/1351400562.db2.gz SRQISHATPDWHHQ-ZDUSSCGKSA-N -1 1 326.385 2.301 20 0 EEADMM COc1c(NC(=O)N2CCN(C(C)(C)C)CC2)cccc1C(=O)[O-] ZINC001607031470 1351400944 /nfs/dbraw/zinc/40/09/44/1351400944.db2.gz IEYSDUIZKZWZHQ-UHFFFAOYSA-N -1 1 335.404 2.341 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCSc1ccc(Cl)cc1 ZINC001607091556 1351414356 /nfs/dbraw/zinc/41/43/56/1351414356.db2.gz POZMHCNZZONGML-UHFFFAOYSA-N -1 1 333.804 2.474 20 0 EEADMM c1ccc(CC[C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001607128037 1351430342 /nfs/dbraw/zinc/43/03/42/1351430342.db2.gz CIQAAGIGBKNFIL-OAHLLOKOSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc(CC[C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001607128037 1351430346 /nfs/dbraw/zinc/43/03/46/1351430346.db2.gz CIQAAGIGBKNFIL-OAHLLOKOSA-N -1 1 336.399 2.100 20 0 EEADMM COc1cc(CN2CCC[C@H]2CC(=O)[O-])c(Br)cn1 ZINC001607158130 1351440219 /nfs/dbraw/zinc/44/02/19/1351440219.db2.gz TZHWFJCVIZSTNI-JTQLQIEISA-N -1 1 329.194 2.292 20 0 EEADMM COc1cc(CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1SC ZINC001607157775 1351440288 /nfs/dbraw/zinc/44/02/88/1351440288.db2.gz MLSUFQMMYRKMKK-LBPRGKRZSA-N -1 1 348.428 2.154 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001607165748 1351441820 /nfs/dbraw/zinc/44/18/20/1351441820.db2.gz QZJPYAAEKQPYCJ-QWRGUYRKSA-N -1 1 340.807 2.391 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c(C)c1F ZINC001607289851 1351465838 /nfs/dbraw/zinc/46/58/38/1351465838.db2.gz BYTOQOSQRDRBIX-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM Cc1ccc([C@H](C)NCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC001607751730 1351552129 /nfs/dbraw/zinc/55/21/29/1351552129.db2.gz HUQPVIAYEADPQX-NSHDSACASA-N -1 1 333.413 2.368 20 0 EEADMM Cc1ccc(NC(=O)[C@@H](C)N2CCSC[C@@H](C(=O)[O-])C2)cc1C ZINC001607797417 1351560755 /nfs/dbraw/zinc/56/07/55/1351560755.db2.gz AZLUPFGJGYISEF-KGLIPLIRSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1cccc(CN2CCCC[C@H]2C(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001607850898 1351571281 /nfs/dbraw/zinc/57/12/81/1351571281.db2.gz RTJWGIGXVXOXJP-HOTGVXAUSA-N -1 1 336.407 2.279 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N[C@H]1CCCn2nccc21 ZINC001607925683 1351586780 /nfs/dbraw/zinc/58/67/80/1351586780.db2.gz OLWXFWCTSKJSAS-QWRGUYRKSA-N -1 1 348.428 2.403 20 0 EEADMM Cc1nc2ccc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)cc2o1 ZINC001607974434 1351596277 /nfs/dbraw/zinc/59/62/77/1351596277.db2.gz MGQRZNIQBIJFHB-UHFFFAOYSA-N -1 1 347.352 2.339 20 0 EEADMM Cc1ncc(NC(=O)NCCCCc2ccnc(N)c2)cc1C(=O)[O-] ZINC001607983054 1351597872 /nfs/dbraw/zinc/59/78/72/1351597872.db2.gz NXIYIBYTMOFGGT-UHFFFAOYSA-N -1 1 343.387 2.210 20 0 EEADMM Cc1nsc(N2CCCN(Cc3cc(C(=O)[O-])cs3)CC2)n1 ZINC001608030521 1351609818 /nfs/dbraw/zinc/60/98/18/1351609818.db2.gz NFNGKEDJJDQZNY-UHFFFAOYSA-N -1 1 338.458 2.319 20 0 EEADMM Cc1oc2ccccc2c1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001608054536 1351615311 /nfs/dbraw/zinc/61/53/11/1351615311.db2.gz OHZNWDQZVGABAH-LJQANCHMSA-N -1 1 344.411 2.103 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)Nc2cc(C(=O)[O-])cs2)[nH]n1 ZINC001608129829 1351631135 /nfs/dbraw/zinc/63/11/35/1351631135.db2.gz ZQDUJQCVCXVFPF-UHFFFAOYSA-N -1 1 332.345 2.214 20 0 EEADMM Cn1ccnc1C1(O)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001608132119 1351631770 /nfs/dbraw/zinc/63/17/70/1351631770.db2.gz AQKJYBKXEZZZIS-UHFFFAOYSA-N -1 1 349.818 2.255 20 0 EEADMM O=C([O-])[C@H](NCC(=O)Nc1cccc2ccccc21)C1CCOCC1 ZINC001608340277 1351674130 /nfs/dbraw/zinc/67/41/30/1351674130.db2.gz LIMRACMBMLJGTQ-GOSISDBHSA-N -1 1 342.395 2.248 20 0 EEADMM O=C([O-])[C@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccc(F)cc1 ZINC001608372262 1351680941 /nfs/dbraw/zinc/68/09/41/1351680941.db2.gz LVBIWKGDHKTVTI-MRXNPFEDSA-N -1 1 332.331 2.339 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000038110317 1352415652 /nfs/dbraw/zinc/41/56/52/1352415652.db2.gz MUUVSIONHXDCGG-JTQLQIEISA-N -1 1 344.845 2.387 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(n2cc(Cl)cn2)CC1 ZINC001646244405 1352823490 /nfs/dbraw/zinc/82/34/90/1352823490.db2.gz PROWQXHMLJEEHO-UHFFFAOYSA-N -1 1 347.806 2.387 20 0 EEADMM Cn1cc(CN2CCC(OCc3ccc(F)cc3)CC2)c(C(=O)[O-])n1 ZINC001647410811 1353267534 /nfs/dbraw/zinc/26/75/34/1353267534.db2.gz YRYXEQXEDOKMGO-UHFFFAOYSA-N -1 1 347.390 2.439 20 0 EEADMM O=C([O-])c1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)[nH]n1 ZINC001647411914 1353268297 /nfs/dbraw/zinc/26/82/97/1353268297.db2.gz XAWWZNGSPOOYFF-MRXNPFEDSA-N -1 1 329.356 2.120 20 0 EEADMM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@H](CO)C(=O)[O-] ZINC001647417226 1353270119 /nfs/dbraw/zinc/27/01/19/1353270119.db2.gz QWLHXHYLCVWHQS-GFCCVEGCSA-N -1 1 344.198 2.023 20 0 EEADMM COc1cc(OC)nc(C(=O)[N-]c2cc(-c3ccccc3)on2)n1 ZINC001648572791 1353434934 /nfs/dbraw/zinc/43/49/34/1353434934.db2.gz OJXUCXJVRYCBAV-UHFFFAOYSA-N -1 1 326.312 2.401 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCc1ccc(C)nc1 ZINC001649705637 1353565828 /nfs/dbraw/zinc/56/58/28/1353565828.db2.gz BVENMANHGPUFQM-UHFFFAOYSA-N -1 1 342.367 2.198 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)[C@](C)(OC)C1CC1 ZINC001649836529 1353620409 /nfs/dbraw/zinc/62/04/09/1353620409.db2.gz PSKCHFJJPCGSGY-PSLIRLAXSA-N -1 1 349.399 2.455 20 0 EEADMM CC(C)(CC(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001388494170 1387504589 /nfs/dbraw/zinc/50/45/89/1387504589.db2.gz HATZEBLZVPFQCS-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C)c(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)o1 ZINC001388622103 1387593138 /nfs/dbraw/zinc/59/31/38/1387593138.db2.gz GMYKVKNDSCBVFN-UHFFFAOYSA-N -1 1 343.383 2.032 20 0 EEADMM O=C(CCC1CCC1)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389031725 1387905136 /nfs/dbraw/zinc/90/51/36/1387905136.db2.gz GDYJCUQKAJMLJQ-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM COc1cc(CCNC(=O)c2cc([O-])cnc2Cl)cc(OC)c1 ZINC001195306461 1368517247 /nfs/dbraw/zinc/51/72/47/1368517247.db2.gz SAPINKBXOQYVGQ-UHFFFAOYSA-N -1 1 336.775 2.430 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)Nc1ccc2c(c1)OCO2 ZINC001196722094 1368606945 /nfs/dbraw/zinc/60/69/45/1368606945.db2.gz ZOEFDMSPQXYEOF-UHFFFAOYSA-N -1 1 340.382 2.101 20 0 EEADMM Cc1nc(Cl)cc(NC(=O)c2sccc2[N-]S(C)(=O)=O)n1 ZINC001196721167 1368607177 /nfs/dbraw/zinc/60/71/77/1368607177.db2.gz CAZWHDJQXOEIGI-UHFFFAOYSA-N -1 1 346.821 2.124 20 0 EEADMM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C1CC1 ZINC000867287675 1368646058 /nfs/dbraw/zinc/64/60/58/1368646058.db2.gz JVLQNDQHZRYTHZ-GFCCVEGCSA-N -1 1 339.244 2.482 20 0 EEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccnc2C(C)=O)cc1 ZINC001201109793 1368782435 /nfs/dbraw/zinc/78/24/35/1368782435.db2.gz KDRZSQGZVTYZLV-UHFFFAOYSA-N -1 1 348.380 2.013 20 0 EEADMM C[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)C[C@H](C2CC2)O1 ZINC000794660519 1369593220 /nfs/dbraw/zinc/59/32/20/1369593220.db2.gz YSPPVPCXKYPUIK-SMDDNHRTSA-N -1 1 331.445 2.459 20 0 EEADMM CC(=O)N1CCC[C@H](c2nc(CC[N-]C(=O)C(F)(F)F)cs2)C1 ZINC000864369705 1369596209 /nfs/dbraw/zinc/59/62/09/1369596209.db2.gz ZBYLBAXFDYRSFZ-JTQLQIEISA-N -1 1 349.378 2.090 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)OCCC[N-]C(=O)C(F)(F)F)CCO1 ZINC000781767322 1371250332 /nfs/dbraw/zinc/25/03/32/1371250332.db2.gz APLARNXNQSZDKZ-MNOVXSKESA-N -1 1 325.327 2.194 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000782534321 1371308523 /nfs/dbraw/zinc/30/85/23/1371308523.db2.gz QMENMZLRBIJUEO-UHFFFAOYSA-N -1 1 331.397 2.237 20 0 EEADMM CC(C)CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001389531546 1388176286 /nfs/dbraw/zinc/17/62/86/1388176286.db2.gz CCUSMRWNYAIGCK-ZIAGYGMSSA-N -1 1 333.432 2.238 20 0 EEADMM O=S(=O)([N-]Cc1cc2c(s1)CCCC2)c1c[nH]nc1Cl ZINC000830069901 1372307261 /nfs/dbraw/zinc/30/72/61/1372307261.db2.gz YTDAFXSEFQWLHC-UHFFFAOYSA-N -1 1 331.850 2.482 20 0 EEADMM Cc1[nH]c(CN2CCC[C@H](Oc3ncc(C)cn3)C2)c(C)c1C(=O)[O-] ZINC001140499214 1372588004 /nfs/dbraw/zinc/58/80/04/1372588004.db2.gz OWVNFLNEPAEELA-AWEZNQCLSA-N -1 1 344.415 2.472 20 0 EEADMM O=C([O-])c1ccccc1CN1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001140499048 1372588327 /nfs/dbraw/zinc/58/83/27/1372588327.db2.gz XZZHYKIOLGCDSE-GOSISDBHSA-N -1 1 340.423 2.064 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)ccc1Cl ZINC000847858509 1373035702 /nfs/dbraw/zinc/03/57/02/1373035702.db2.gz TVFBRSWCMJVAPK-ZDUSSCGKSA-N -1 1 332.853 2.040 20 0 EEADMM Cc1cc(CN2CCCN(C(=O)c3ccc([O-])cc3F)CC2)no1 ZINC001362203248 1373376757 /nfs/dbraw/zinc/37/67/57/1373376757.db2.gz HKCVXYDCFLBFER-UHFFFAOYSA-N -1 1 333.363 2.176 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cnc(SC)[n-]c1=O ZINC001362347114 1373396436 /nfs/dbraw/zinc/39/64/36/1373396436.db2.gz KFBYDCXNZJUFTM-WDEREUQCSA-N -1 1 325.434 2.228 20 0 EEADMM CSc1nc(CNC(=O)CNc2cccc(Cl)c2)cc(=O)[n-]1 ZINC001363630210 1373540088 /nfs/dbraw/zinc/54/00/88/1373540088.db2.gz JQMKNQWHSMYYNO-UHFFFAOYSA-N -1 1 338.820 2.286 20 0 EEADMM COc1cc(NC(=O)N2CCC(c3nn[n-]n3)CC2)ccc1Cl ZINC001365052805 1373657754 /nfs/dbraw/zinc/65/77/54/1373657754.db2.gz NPSZJKYTTWCRGD-UHFFFAOYSA-N -1 1 336.783 2.273 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)c(F)c1 ZINC001365129479 1373673944 /nfs/dbraw/zinc/67/39/44/1373673944.db2.gz ONYMLYSJZYCXLG-CQSZACIVSA-N -1 1 327.352 2.285 20 0 EEADMM CSc1ncc(C(=O)Nc2nc3c(s2)CCCC3=O)c(=O)[n-]1 ZINC001365177468 1373678849 /nfs/dbraw/zinc/67/88/49/1373678849.db2.gz KZOOZRKJJOOQJO-UHFFFAOYSA-N -1 1 336.398 2.132 20 0 EEADMM O=C(CC1CCCCCC1)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001389761754 1388288895 /nfs/dbraw/zinc/28/88/95/1388288895.db2.gz PKOUMEVYMXKLCH-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001369832317 1374671821 /nfs/dbraw/zinc/67/18/21/1374671821.db2.gz MUCPYPUPUJZROE-KGLIPLIRSA-N -1 1 335.448 2.436 20 0 EEADMM O=C(CCC1CCCC1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372237743 1375876794 /nfs/dbraw/zinc/87/67/94/1375876794.db2.gz NGTOBFFEBQDIAF-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001372454367 1376015324 /nfs/dbraw/zinc/01/53/24/1376015324.db2.gz XEEHRDVORAWSQB-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CCC[C@H](C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001372484129 1376032564 /nfs/dbraw/zinc/03/25/64/1376032564.db2.gz IBZIXZMNOZXRMM-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001372834961 1376235289 /nfs/dbraw/zinc/23/52/89/1376235289.db2.gz MMAIHXRUMNSZPK-NYTXWWLZSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)CC(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001374361017 1376727143 /nfs/dbraw/zinc/72/71/43/1376727143.db2.gz QEMBLCKXOKBVEN-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)C[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1ncccc1[O-] ZINC001375820909 1378028653 /nfs/dbraw/zinc/02/86/53/1378028653.db2.gz FATBTTVOTBMVFF-RUXDESIVSA-N -1 1 333.432 2.094 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1cccs1)NC(=O)c1ncccc1[O-] ZINC001375823837 1378031416 /nfs/dbraw/zinc/03/14/16/1378031416.db2.gz PVXVPFORFQSMEY-GFCCVEGCSA-N -1 1 347.440 2.423 20 0 EEADMM CC[C@H](C)C(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001379953426 1380960837 /nfs/dbraw/zinc/96/08/37/1380960837.db2.gz ANGBOTHNWHNWCU-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1ccc(F)cc1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001380841900 1381396953 /nfs/dbraw/zinc/39/69/53/1381396953.db2.gz XEIWIAILADAWMP-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CCCc2cccc(F)c2)CC1 ZINC001381076364 1381501525 /nfs/dbraw/zinc/50/15/25/1381501525.db2.gz GLTOIBFXULOFEN-UHFFFAOYSA-N -1 1 343.402 2.317 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])sc1C ZINC001381965261 1381887921 /nfs/dbraw/zinc/88/79/21/1381887921.db2.gz WRKDLCWTOHXXPR-NSHDSACASA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)C(C)(F)F ZINC001383177944 1382379348 /nfs/dbraw/zinc/37/93/48/1382379348.db2.gz JJTIIIFBVGFOHS-LLVKDONJSA-N -1 1 343.374 2.045 20 0 EEADMM CCCC[C@H](CNC(=O)C1CC2(CC2)C1)NC(=O)c1ncccc1[O-] ZINC001383222659 1382400954 /nfs/dbraw/zinc/40/09/54/1382400954.db2.gz INWSXDLNFYNHRC-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(C)(F)F ZINC001383568538 1382561646 /nfs/dbraw/zinc/56/16/46/1382561646.db2.gz ZLDRFHAMVWJQHT-GHMZBOCLSA-N -1 1 343.374 2.236 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCc1ccoc1 ZINC001383589357 1382580741 /nfs/dbraw/zinc/58/07/41/1382580741.db2.gz XXMKNTSQEPYNSL-OLZOCXBDSA-N -1 1 345.399 2.026 20 0 EEADMM CCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001384156599 1382829331 /nfs/dbraw/zinc/82/93/31/1382829331.db2.gz HJGLKKFLMRNWPX-OLZOCXBDSA-N -1 1 348.447 2.039 20 0 EEADMM CCC[C@@H](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384471370 1384112604 /nfs/dbraw/zinc/11/26/04/1384112604.db2.gz ZKUVVDYDOPENSU-MCIONIFRSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC(CCC)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385305637 1385451557 /nfs/dbraw/zinc/45/15/57/1385451557.db2.gz GVDXPXPNSCBWHK-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(NCCN(C(=O)c1ccoc1Cl)C1CC1)c1ncccc1[O-] ZINC001387480103 1386766934 /nfs/dbraw/zinc/76/69/34/1386766934.db2.gz AHHNLTMLKLPNJR-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM Cc1cscc1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001398308795 1392157925 /nfs/dbraw/zinc/15/79/25/1392157925.db2.gz ABWIVBVVLNATMR-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@@H](C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001399473300 1395135554 /nfs/dbraw/zinc/13/55/54/1395135554.db2.gz MAAGBJYWITZJBG-DZGCQCFKSA-N -1 1 347.459 2.484 20 0 EEADMM C[C@H](C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1)c1cccs1 ZINC001400673260 1396517502 /nfs/dbraw/zinc/51/75/02/1396517502.db2.gz OVCMOCNTYVTBCI-NSHDSACASA-N -1 1 345.424 2.031 20 0 EEADMM C[C@H](CN(C)Cc1ncc(Cl)s1)NC(=O)c1ncccc1[O-] ZINC001422804632 1400205516 /nfs/dbraw/zinc/20/55/16/1400205516.db2.gz HZCPIFCPIDLETQ-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM CCC1(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CCCC2)CCCC1 ZINC001423538495 1400629849 /nfs/dbraw/zinc/62/98/49/1400629849.db2.gz LNHAVLRTGJSHNN-CQSZACIVSA-N -1 1 349.479 2.245 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@]2(O)CCCC2(C)C)c(F)c1 ZINC001424129220 1400922959 /nfs/dbraw/zinc/92/29/59/1400922959.db2.gz GKXYLHCWTBDXBJ-OAHLLOKOSA-N -1 1 333.400 2.493 20 0 EEADMM C[C@H](CN(C)C(=O)c1cccc(Cl)c1)NC(=O)c1ncccc1[O-] ZINC001425229564 1401517690 /nfs/dbraw/zinc/51/76/90/1401517690.db2.gz WCFFIQPGTGHQBT-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425714258 1401755347 /nfs/dbraw/zinc/75/53/47/1401755347.db2.gz SHGJNFWXHTZPQQ-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428362663 1402691351 /nfs/dbraw/zinc/69/13/51/1402691351.db2.gz STGWACORLQNCSF-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@@H]1C ZINC001576140162 1403561085 /nfs/dbraw/zinc/56/10/85/1403561085.db2.gz ZSWVYARVPVXXCU-UTLUCORTSA-N -1 1 334.811 2.470 20 0 EEADMM O=C(N[C@H](c1c[nH]nn1)c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC001577973323 1403700471 /nfs/dbraw/zinc/70/04/71/1403700471.db2.gz QZVGIIUYSWZHIF-AWEZNQCLSA-N -1 1 348.284 2.447 20 0 EEADMM CCOc1cccc(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001578400337 1403747043 /nfs/dbraw/zinc/74/70/43/1403747043.db2.gz HVUOUKAOGPVTJC-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM CCOc1cccc(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001578400337 1403747048 /nfs/dbraw/zinc/74/70/48/1403747048.db2.gz HVUOUKAOGPVTJC-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM COC(=O)c1ccc(NCCc2ccc(C)cc2)c(-c2nnn[n-]2)n1 ZINC001579484241 1403785267 /nfs/dbraw/zinc/78/52/67/1403785267.db2.gz ZXRJTQVJBLKDHY-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COC(=O)c1ccc(NCCc2ccc(C)cc2)c(-c2nn[n-]n2)n1 ZINC001579484241 1403785279 /nfs/dbraw/zinc/78/52/79/1403785279.db2.gz ZXRJTQVJBLKDHY-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COc1ncc(NC(=O)NC2[C@H](C)CCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001580136668 1403832559 /nfs/dbraw/zinc/83/25/59/1403832559.db2.gz RKLWCHWKZRHJOT-NXEZZACHSA-N -1 1 345.407 2.217 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590550161 1403886147 /nfs/dbraw/zinc/88/61/47/1403886147.db2.gz JTTMVDQLHAPEQP-JTQLQIEISA-N -1 1 343.478 2.174 20 0 EEADMM Cc1c(Nc2cc(-c3nnn[n-]3)ncn2)cnn1-c1ccccc1F ZINC001591828815 1403953560 /nfs/dbraw/zinc/95/35/60/1403953560.db2.gz USDCKQLNXHJCTJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2cc(-c3nn[n-]n3)ncn2)cnn1-c1ccccc1F ZINC001591828815 1403953564 /nfs/dbraw/zinc/95/35/64/1403953564.db2.gz USDCKQLNXHJCTJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592246669 1404013601 /nfs/dbraw/zinc/01/36/01/1404013601.db2.gz XFDCXXNEIVQWGD-AWEZNQCLSA-N -1 1 337.339 2.251 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592246669 1404013610 /nfs/dbraw/zinc/01/36/10/1404013610.db2.gz XFDCXXNEIVQWGD-AWEZNQCLSA-N -1 1 337.339 2.251 20 0 EEADMM Cc1noc(C)c1CCn1cc(-c2nn[n-]n2)c2ccsc2c1=O ZINC001592458226 1404694606 /nfs/dbraw/zinc/69/46/06/1404694606.db2.gz OHRNTTMOQQKQEC-UHFFFAOYSA-N -1 1 342.384 2.091 20 0 EEADMM Cc1nsc(NC(=O)c2ccnc(C3CC3)c2)c1-c1nnn[n-]1 ZINC001592481884 1404701832 /nfs/dbraw/zinc/70/18/32/1404701832.db2.gz JLYJHFMOROMJPI-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM Cc1nsc(NC(=O)c2ccnc(C3CC3)c2)c1-c1nn[n-]n1 ZINC001592481884 1404701835 /nfs/dbraw/zinc/70/18/35/1404701835.db2.gz JLYJHFMOROMJPI-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM Cc1nsc(Sc2ncn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC001592494476 1404703404 /nfs/dbraw/zinc/70/34/04/1404703404.db2.gz VLALEWDNRLVGBZ-UHFFFAOYSA-N -1 1 342.413 2.364 20 0 EEADMM Cc1nsc(Sc2ncn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC001592494476 1404703407 /nfs/dbraw/zinc/70/34/07/1404703407.db2.gz VLALEWDNRLVGBZ-UHFFFAOYSA-N -1 1 342.413 2.364 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC001592494597 1404703525 /nfs/dbraw/zinc/70/35/25/1404703525.db2.gz AMFQZEKWZCOSDX-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC001592494597 1404703533 /nfs/dbraw/zinc/70/35/33/1404703533.db2.gz AMFQZEKWZCOSDX-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1cc(F)cc(Cl)c1 ZINC001592915436 1404728601 /nfs/dbraw/zinc/72/86/01/1404728601.db2.gz VLRSRXMBPHXWJC-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1cc(F)cc(Cl)c1 ZINC001592915436 1404728606 /nfs/dbraw/zinc/72/86/06/1404728606.db2.gz VLRSRXMBPHXWJC-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1C(F)F ZINC001592915040 1404729161 /nfs/dbraw/zinc/72/91/61/1404729161.db2.gz DBAWFOSPYNWPJY-UHFFFAOYSA-N -1 1 330.298 2.381 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1C(F)F ZINC001592915040 1404729164 /nfs/dbraw/zinc/72/91/64/1404729164.db2.gz DBAWFOSPYNWPJY-UHFFFAOYSA-N -1 1 330.298 2.381 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593099021 1404741560 /nfs/dbraw/zinc/74/15/60/1404741560.db2.gz DQHAJMHAYSGBFR-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593099021 1404741565 /nfs/dbraw/zinc/74/15/65/1404741565.db2.gz DQHAJMHAYSGBFR-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]c(C(=O)[O-])c3)cccc21 ZINC001606016595 1404754708 /nfs/dbraw/zinc/75/47/08/1404754708.db2.gz QKRKDLJZPYGNMN-CQSZACIVSA-N -1 1 329.356 2.350 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccncc2)c1-c1nnn[n-]1 ZINC001606149374 1404769056 /nfs/dbraw/zinc/76/90/56/1404769056.db2.gz OFYVGCHQMRNZAC-VIFPVBQESA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccncc2)c1-c1nn[n-]n1 ZINC001606149374 1404769060 /nfs/dbraw/zinc/76/90/60/1404769060.db2.gz OFYVGCHQMRNZAC-VIFPVBQESA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NCCOc2ccc(Cl)cn2)c1-c1nn[n-]n1 ZINC001606160865 1404770653 /nfs/dbraw/zinc/77/06/53/1404770653.db2.gz BRCMGEVMOQZYOP-UHFFFAOYSA-N -1 1 337.796 2.171 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cn2cccc(C)c2n1 ZINC001606170717 1404772343 /nfs/dbraw/zinc/77/23/43/1404772343.db2.gz OIXCIRJPMGARKN-UHFFFAOYSA-N -1 1 338.327 2.081 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cn2cccc(C)c2n1 ZINC001606170717 1404772354 /nfs/dbraw/zinc/77/23/54/1404772354.db2.gz OIXCIRJPMGARKN-UHFFFAOYSA-N -1 1 338.327 2.081 20 0 EEADMM CN(c1ccccc1)C1CCN(Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001606182294 1404774932 /nfs/dbraw/zinc/77/49/32/1404774932.db2.gz XLNCWOIJRBZNRG-UHFFFAOYSA-N -1 1 326.400 2.276 20 0 EEADMM Fc1cccc([C@@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC001606327370 1404792933 /nfs/dbraw/zinc/79/29/33/1404792933.db2.gz MKYNCDNEVYDFQC-QGZVFWFLSA-N -1 1 347.357 2.419 20 0 EEADMM Fc1cccc([C@@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC001606327370 1404792940 /nfs/dbraw/zinc/79/29/40/1404792940.db2.gz MKYNCDNEVYDFQC-QGZVFWFLSA-N -1 1 347.357 2.419 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1noc(C)n1 ZINC000124363986 1404928657 /nfs/dbraw/zinc/92/86/57/1404928657.db2.gz VDVMLQITULVRTP-NSHDSACASA-N -1 1 340.792 2.333 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H]1C1CC1 ZINC000262203824 1405811819 /nfs/dbraw/zinc/81/18/19/1405811819.db2.gz SMEFKYFNRBGDOO-KGLIPLIRSA-N -1 1 325.368 2.260 20 0 EEADMM CCC[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000185061419 1406054020 /nfs/dbraw/zinc/05/40/20/1406054020.db2.gz WVHCWAHYPNVWKS-IINYFYTJSA-N -1 1 328.359 2.327 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccc(Cl)cc1 ZINC000942380743 782331115 /nfs/dbraw/zinc/33/11/15/782331115.db2.gz GJBILNVWFUKELS-CYBMUJFWSA-N -1 1 345.786 2.085 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccc(F)n2)n[n-]1 ZINC000846643933 790305547 /nfs/dbraw/zinc/30/55/47/790305547.db2.gz TWTZGKFEQDUABM-NSHDSACASA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccc(F)n2)[n-]1 ZINC000846643933 790305553 /nfs/dbraw/zinc/30/55/53/790305553.db2.gz TWTZGKFEQDUABM-NSHDSACASA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccc(F)n2)n1 ZINC000846643933 790305561 /nfs/dbraw/zinc/30/55/61/790305561.db2.gz TWTZGKFEQDUABM-NSHDSACASA-N -1 1 349.366 2.033 20 0 EEADMM CC[C@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000835962621 761696245 /nfs/dbraw/zinc/69/62/45/761696245.db2.gz VIJVABDUJSPMSB-OAHLLOKOSA-N -1 1 347.433 2.328 20 0 EEADMM CC(C)C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000780385788 761729457 /nfs/dbraw/zinc/72/94/57/761729457.db2.gz RQMNDEDRXOPOAC-QWHCGFSZSA-N -1 1 327.450 2.149 20 0 EEADMM CC(C)C[C@@H](CNc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001104933581 765600138 /nfs/dbraw/zinc/60/01/38/765600138.db2.gz FDCWRJGZQUWFAD-NSHDSACASA-N -1 1 349.822 2.487 20 0 EEADMM Cc1cc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])ncn1 ZINC001104935662 765606795 /nfs/dbraw/zinc/60/67/95/765606795.db2.gz UNDRNQFIVVCBKW-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM O=C(c1nnc2ccccc2c1O)N1CCN(C2CCCCC2)CC1 ZINC000154922722 769679803 /nfs/dbraw/zinc/67/98/03/769679803.db2.gz ZGOYKKNULABDHY-UHFFFAOYSA-N -1 1 340.427 2.014 20 0 EEADMM CC1(C)C(C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1(C)C ZINC000979627181 770717681 /nfs/dbraw/zinc/71/76/81/770717681.db2.gz RQVGEYRUGCTRMI-HAQNSBGRSA-N -1 1 345.443 2.094 20 0 EEADMM CCOc1cc(-c2noc(CC3OCCO3)n2)cc(Cl)c1[O-] ZINC000809466833 783109856 /nfs/dbraw/zinc/10/98/56/783109856.db2.gz ZIIGOZKMOHGEFC-UHFFFAOYSA-N -1 1 326.736 2.410 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC000942756913 783142652 /nfs/dbraw/zinc/14/26/52/783142652.db2.gz TWNRFTNXKCUOSW-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)CCO[C@H](C)C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000069126196 775246698 /nfs/dbraw/zinc/24/66/98/775246698.db2.gz FJJNHDFOZXHNQH-CYBMUJFWSA-N -1 1 344.415 2.289 20 0 EEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)C2CCCCC2)C1)c1ncccc1[O-] ZINC000980808718 775660021 /nfs/dbraw/zinc/66/00/21/775660021.db2.gz IXKYLWVSGNLWQB-DZGCQCFKSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@](O)(CNC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000181220953 775732633 /nfs/dbraw/zinc/73/26/33/775732633.db2.gz MSCYQCKFOWIEMX-MRXNPFEDSA-N -1 1 325.286 2.447 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000940126031 778158491 /nfs/dbraw/zinc/15/84/91/778158491.db2.gz QNJXYVQFDOQUHX-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866897085 778801834 /nfs/dbraw/zinc/80/18/34/778801834.db2.gz QFQPYCDHZBCVGD-VIFPVBQESA-N -1 1 341.260 2.465 20 0 EEADMM Cc1coc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC000946272876 790674798 /nfs/dbraw/zinc/67/47/98/790674798.db2.gz FVWUTSNMJPFOIH-CHWSQXEVSA-N -1 1 343.383 2.017 20 0 EEADMM O=S(=O)(Oc1cc(Br)cc(F)c1F)c1c[n-]cn1 ZINC000785384748 779454741 /nfs/dbraw/zinc/45/47/41/779454741.db2.gz QZTRKRBNEVRMBN-UHFFFAOYSA-N -1 1 339.117 2.218 20 0 EEADMM COc1cccc2c1C[C@H](C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O)CC2 ZINC001143534931 780165865 /nfs/dbraw/zinc/16/58/65/780165865.db2.gz APJQBZZQWJFKRP-SECBINFHSA-N -1 1 344.327 2.038 20 0 EEADMM COc1cnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1C ZINC001167934930 780991806 /nfs/dbraw/zinc/99/18/06/780991806.db2.gz LZSRJYWSJWBBJL-UHFFFAOYSA-N -1 1 334.312 2.483 20 0 EEADMM Cc1cc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)ncn1 ZINC001063365619 790853182 /nfs/dbraw/zinc/85/31/82/790853182.db2.gz ZEQSJXQBODENOW-JOCQHMNTSA-N -1 1 327.388 2.039 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C(C)(C)C1CC1 ZINC000945290520 783770646 /nfs/dbraw/zinc/77/06/46/783770646.db2.gz USYPOBXKDQDWDU-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(NCc1ccc(CNc2ncccn2)cc1)c1ncccc1[O-] ZINC001063419121 790975357 /nfs/dbraw/zinc/97/53/57/790975357.db2.gz DLQJGENPVBFFKZ-UHFFFAOYSA-N -1 1 335.367 2.119 20 0 EEADMM Cc1ccc(NCc2ccc(CNC(=O)c3ncccc3[O-])cc2)nn1 ZINC001063420036 790978430 /nfs/dbraw/zinc/97/84/30/790978430.db2.gz VBGDCCWPHUPWPV-UHFFFAOYSA-N -1 1 349.394 2.428 20 0 EEADMM COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000816824333 784290015 /nfs/dbraw/zinc/29/00/15/784290015.db2.gz WBULFELXJKKISA-LJQANCHMSA-N -1 1 343.354 2.488 20 0 EEADMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2cncc([O-])c2)CC1 ZINC000816864532 784302338 /nfs/dbraw/zinc/30/23/38/784302338.db2.gz PQTUUGGDGQRGQX-AWEZNQCLSA-N -1 1 347.415 2.307 20 0 EEADMM Cc1nc(CN[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)oc1C ZINC000995701594 784312642 /nfs/dbraw/zinc/31/26/42/784312642.db2.gz HMILIQGAQDFTDU-CQSZACIVSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NC[C@](C)(O)C(C)C)c1 ZINC000174409738 784350287 /nfs/dbraw/zinc/35/02/87/784350287.db2.gz KWFILMLXZVBRMG-KRWDZBQOSA-N -1 1 348.472 2.439 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000945591239 784415626 /nfs/dbraw/zinc/41/56/26/784415626.db2.gz TVDVPQXEBXYUKR-STQMWFEESA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H]1COc2ccccc2CN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907302450 784527489 /nfs/dbraw/zinc/52/74/89/784527489.db2.gz GHJHTYSMWREADX-NSHDSACASA-N -1 1 325.368 2.483 20 0 EEADMM CC(C)c1ccccc1OCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475397 784644962 /nfs/dbraw/zinc/64/49/62/784644962.db2.gz JNOKLGAPUYRJRH-ZDUSSCGKSA-N -1 1 347.444 2.019 20 0 EEADMM O=C([C@H]1CCSc2ccccc21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478365 784648256 /nfs/dbraw/zinc/64/82/56/784648256.db2.gz XQXZETGZIFRTHH-RYUDHWBXSA-N -1 1 347.469 2.096 20 0 EEADMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)cc1Cl ZINC000907480303 784687734 /nfs/dbraw/zinc/68/77/34/784687734.db2.gz RWLUSIARRHTTPV-LBPRGKRZSA-N -1 1 337.836 2.400 20 0 EEADMM O=C(/C(F)=C/C1CCCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479784 784687854 /nfs/dbraw/zinc/68/78/54/784687854.db2.gz MPXRTFWHUDYELX-NXIHDVOMSA-N -1 1 325.413 2.250 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945754312 784778691 /nfs/dbraw/zinc/77/86/91/784778691.db2.gz YPVMQSIRGVSWTE-IZWIXQHKSA-N -1 1 331.416 2.110 20 0 EEADMM CS[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493312 784795165 /nfs/dbraw/zinc/79/51/65/784795165.db2.gz UDJAOTAFDQDFQM-GXSJLCMTSA-N -1 1 346.374 2.374 20 0 EEADMM O=C([O-])[C@@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)C[C@H]1c1ccccc1 ZINC000907818216 784885787 /nfs/dbraw/zinc/88/57/87/784885787.db2.gz CZOQZQCZEKIFOU-KXBFYZLASA-N -1 1 339.395 2.374 20 0 EEADMM CCN1CCN(c2ccccc2NC(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000818207889 785220273 /nfs/dbraw/zinc/22/02/73/785220273.db2.gz SFVODGBWKMIXPV-INIZCTEOSA-N -1 1 348.447 2.059 20 0 EEADMM CCC1(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000946032692 785342174 /nfs/dbraw/zinc/34/21/74/785342174.db2.gz BVMCBVRQWMATQL-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000819018803 785383820 /nfs/dbraw/zinc/38/38/20/785383820.db2.gz YBJBDNSOSLITDR-AWEZNQCLSA-N -1 1 344.415 2.223 20 0 EEADMM CCCNC(=O)CCC(=O)Nc1cccc([O-])c1Br ZINC000908717114 785668971 /nfs/dbraw/zinc/66/89/71/785668971.db2.gz VALBYCWBSIZPLC-UHFFFAOYSA-N -1 1 329.194 2.400 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000908745352 785685017 /nfs/dbraw/zinc/68/50/17/785685017.db2.gz AWKYMQSUKFGYKO-CHWSQXEVSA-N -1 1 339.461 2.390 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000908913495 785831610 /nfs/dbraw/zinc/83/16/10/785831610.db2.gz PQBMKNGIHOUIAO-GJZGRUSLSA-N -1 1 347.459 2.328 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000909722809 786200701 /nfs/dbraw/zinc/20/07/01/786200701.db2.gz BUWRALKLODYXIN-VYDXJSESSA-N -1 1 348.418 2.375 20 0 EEADMM CCc1ccc(C(C)(C)CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000909727868 786203560 /nfs/dbraw/zinc/20/35/60/786203560.db2.gz JEIYUEQAJSIUOW-MRXNPFEDSA-N -1 1 346.471 2.439 20 0 EEADMM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)N(C)C ZINC000909755083 786229775 /nfs/dbraw/zinc/22/97/75/786229775.db2.gz CIONQDJARWFYCB-RMLUDKJBSA-N -1 1 333.215 2.360 20 0 EEADMM CN(C(=O)c1[nH]cnc1C(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000909785535 786245450 /nfs/dbraw/zinc/24/54/50/786245450.db2.gz VSMUAMKPGGMXQK-UHFFFAOYSA-N -1 1 331.372 2.447 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1C[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC000996372097 786324196 /nfs/dbraw/zinc/32/41/96/786324196.db2.gz BNUPNZMRNOKOKC-TZMCWYRMSA-N -1 1 349.479 2.053 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc(N2CCOCC2)ccn1 ZINC000909975463 786370611 /nfs/dbraw/zinc/37/06/11/786370611.db2.gz RMMBPWMPYBAZLE-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM CC[C@H](C(=O)Nc1cc([O-])c(F)cc1F)N1CCO[C@@H](CC)C1 ZINC000909986309 786376254 /nfs/dbraw/zinc/37/62/54/786376254.db2.gz GNCCHZHLGYLVTF-IINYFYTJSA-N -1 1 328.359 2.498 20 0 EEADMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC000585115764 786464753 /nfs/dbraw/zinc/46/47/53/786464753.db2.gz REAQNRYNKCTOMG-ZETCQYMHSA-N -1 1 347.799 2.388 20 0 EEADMM COc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1C1CC1 ZINC000910176855 786511261 /nfs/dbraw/zinc/51/12/61/786511261.db2.gz FMUYGUSRBNOPDA-UHFFFAOYSA-N -1 1 346.427 2.194 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]2CCC[C@H]21 ZINC000910238313 786561346 /nfs/dbraw/zinc/56/13/46/786561346.db2.gz BQKYQDJVWJWDQQ-RRFJBIMHSA-N -1 1 340.383 2.187 20 0 EEADMM Cc1cccc([C@H](CC(=O)[O-])NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000910368143 786698662 /nfs/dbraw/zinc/69/86/62/786698662.db2.gz BXXNLNBTRRLAPM-INIZCTEOSA-N -1 1 341.411 2.472 20 0 EEADMM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(CN(C)C)nc2)c1 ZINC000910370811 786700964 /nfs/dbraw/zinc/70/09/64/786700964.db2.gz SWJRXFJNLYEYKY-KRWDZBQOSA-N -1 1 341.411 2.397 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2nnsc2Cl)c1 ZINC000821359430 786716469 /nfs/dbraw/zinc/71/64/69/786716469.db2.gz PGKYHRDUVRSJKG-OAQYLSRUSA-N -1 1 346.817 2.051 20 0 EEADMM CCN(CC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C1CC1 ZINC000910382531 786726431 /nfs/dbraw/zinc/72/64/31/786726431.db2.gz YKJIQUGVDQOTKK-CQSZACIVSA-N -1 1 344.333 2.432 20 0 EEADMM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](CCO)C3CCCC3)c12 ZINC000910388232 786731407 /nfs/dbraw/zinc/73/14/07/786731407.db2.gz FBXNZCGQHJWYQZ-NSHDSACASA-N -1 1 335.429 2.473 20 0 EEADMM CSc1nc(C)c(CCC(=O)NN2[C@H](C)CCC[C@H]2C)c(=O)[n-]1 ZINC000821692547 786853183 /nfs/dbraw/zinc/85/31/83/786853183.db2.gz FNJAQBGCBNICFG-GHMZBOCLSA-N -1 1 338.477 2.439 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)C[C@@H]21 ZINC000910794979 787032260 /nfs/dbraw/zinc/03/22/60/787032260.db2.gz NWHBFAAEZOPJCR-YABSGUDNSA-N -1 1 331.759 2.133 20 0 EEADMM O=C(CCS(=O)(=O)C1CCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910981124 787160064 /nfs/dbraw/zinc/16/00/64/787160064.db2.gz MAQPRHQVDMFGOZ-UHFFFAOYSA-N -1 1 333.356 2.356 20 0 EEADMM Cc1nc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1C(=O)[O-] ZINC000911165798 787283653 /nfs/dbraw/zinc/28/36/53/787283653.db2.gz AVPAKWLIHUBGCP-UHFFFAOYSA-N -1 1 345.443 2.426 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccco1 ZINC000911251916 787333941 /nfs/dbraw/zinc/33/39/41/787333941.db2.gz ANYZUFSQHBMMKM-NSHDSACASA-N -1 1 337.401 2.247 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2csc(C(=O)[O-])n2)N2CCCC2)o1 ZINC000911331472 787382051 /nfs/dbraw/zinc/38/20/51/787382051.db2.gz GRCMOMHFLFTRLW-GFCCVEGCSA-N -1 1 349.412 2.310 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C[N@H+]1Cc1ccccc1 ZINC000911478461 787498020 /nfs/dbraw/zinc/49/80/20/787498020.db2.gz QDZWFMSOYMQFNS-UTEOSNMTSA-N -1 1 328.412 2.021 20 0 EEADMM Cc1cc(C2CCN(C(=O)c3ccc(C(=O)[O-])c(C)n3)CC2)n[nH]1 ZINC000911651802 787622210 /nfs/dbraw/zinc/62/22/10/787622210.db2.gz WDEQJRVRSCHGLW-UHFFFAOYSA-N -1 1 328.372 2.140 20 0 EEADMM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)c2ccccc2)c1[O-] ZINC001032359625 788260606 /nfs/dbraw/zinc/26/06/06/788260606.db2.gz YFIRAIJOZTULBW-SNPRPXQTSA-N -1 1 326.400 2.084 20 0 EEADMM CSCC[C@H](NC(=O)Cc1c[nH]c2cccc(C)c12)c1nn[n-]n1 ZINC000912859747 788417262 /nfs/dbraw/zinc/41/72/62/788417262.db2.gz ARKGEOOJSKRRHL-ZDUSSCGKSA-N -1 1 344.444 2.143 20 0 EEADMM CSCC[C@H](NC(=O)C=C(C)c1ccc(F)cc1)c1nn[n-]n1 ZINC000912860662 788420840 /nfs/dbraw/zinc/42/08/40/788420840.db2.gz SPJDJERQBVDBTC-XPSMFNQNSA-N -1 1 335.408 2.353 20 0 EEADMM CSCC[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1nn[n-]n1 ZINC000912861707 788421778 /nfs/dbraw/zinc/42/17/78/788421778.db2.gz VMGUEGRTPXSOJH-ZDUSSCGKSA-N -1 1 331.445 2.133 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(=O)Nc2cnccc21 ZINC001137018518 788567691 /nfs/dbraw/zinc/56/76/91/788567691.db2.gz VKESSMHPAITUFA-UHFFFAOYSA-N -1 1 335.319 2.245 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)C2(c3cccc(Cl)c3)CCC2)n[nH]1 ZINC000151161178 788680363 /nfs/dbraw/zinc/68/03/63/788680363.db2.gz QOMCCOIBMTWPPK-UHFFFAOYSA-N -1 1 332.791 2.254 20 0 EEADMM Cc1cnc(C)nc1NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001060241640 788692668 /nfs/dbraw/zinc/69/26/68/788692668.db2.gz OKRYOIDITALWCT-AWEZNQCLSA-N -1 1 341.415 2.301 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(C(F)(F)F)CCC1 ZINC000913436646 788873829 /nfs/dbraw/zinc/87/38/29/788873829.db2.gz FPDDLMQGMVXLMD-JTQLQIEISA-N -1 1 325.294 2.138 20 0 EEADMM CCC1(C(=O)N2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001005948004 788976267 /nfs/dbraw/zinc/97/62/67/788976267.db2.gz CJSOCDWYYFFXTJ-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@@H]([C@@H]2CCCO2)C1 ZINC000923158754 788998983 /nfs/dbraw/zinc/99/89/83/788998983.db2.gz LZJZFBKLAIRGSB-LYRGGWFBSA-N -1 1 343.383 2.047 20 0 EEADMM CC(=O)c1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1C ZINC000923381302 789463902 /nfs/dbraw/zinc/46/39/02/789463902.db2.gz HWDKDXRFKUKMNT-UHFFFAOYSA-N -1 1 331.290 2.423 20 0 EEADMM O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1cc(F)cc(F)c1 ZINC000165439054 789494673 /nfs/dbraw/zinc/49/46/73/789494673.db2.gz VUVUNXBHVPQXGQ-UHFFFAOYSA-N -1 1 342.352 2.275 20 0 EEADMM Cc1nc(NC(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc1C ZINC000923529502 789725983 /nfs/dbraw/zinc/72/59/83/789725983.db2.gz OHUMQNJDSUYZBN-TVYUQYBPSA-N -1 1 337.445 2.130 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1)c1ccncc1 ZINC001144663776 790020000 /nfs/dbraw/zinc/02/00/00/790020000.db2.gz ISCLDBOXEUOKTJ-CQSZACIVSA-N -1 1 347.365 2.460 20 0 EEADMM CC(C)CN(CCC(=O)[O-])CCS(=O)(=O)Cc1ccccc1 ZINC000846266925 790109437 /nfs/dbraw/zinc/10/94/37/790109437.db2.gz YJOKYBCBYFEFAT-UHFFFAOYSA-N -1 1 327.446 2.034 20 0 EEADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1ccc(F)s1 ZINC001063511128 791190683 /nfs/dbraw/zinc/19/06/83/791190683.db2.gz HWFIVOUQBZWWOH-UHFFFAOYSA-N -1 1 349.387 2.070 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ccnc(OC(F)(F)F)c2)c1[O-] ZINC001147837147 791995414 /nfs/dbraw/zinc/99/54/14/791995414.db2.gz VEVXSIMNTZRTRQ-UHFFFAOYSA-N -1 1 343.261 2.134 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cnn4c3OCCC4)cc2)[n-]1 ZINC001148328928 792341413 /nfs/dbraw/zinc/34/14/13/792341413.db2.gz BITLEZGCKNQQPS-UHFFFAOYSA-N -1 1 339.355 2.031 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992050808 792476810 /nfs/dbraw/zinc/47/68/10/792476810.db2.gz AEWNHICCSYIWGT-WLYUNCDWSA-N -1 1 343.427 2.158 20 0 EEADMM COCCn1cncc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799578 792713996 /nfs/dbraw/zinc/71/39/96/792713996.db2.gz PYSBJWHMZXPIRZ-UHFFFAOYSA-N -1 1 343.305 2.184 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2ccc(F)cc2)CCC1 ZINC000913742563 794202496 /nfs/dbraw/zinc/20/24/96/794202496.db2.gz JMRWHLMWWNFWSD-UHFFFAOYSA-N -1 1 329.379 2.167 20 0 EEADMM C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743787 794206682 /nfs/dbraw/zinc/20/66/82/794206682.db2.gz LKHVSYPGXODIIU-NSHDSACASA-N -1 1 349.435 2.473 20 0 EEADMM CC[C@H](Oc1ccccc1C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743811 794207086 /nfs/dbraw/zinc/20/70/86/794207086.db2.gz MKGBEWKJEQCJRV-AWEZNQCLSA-N -1 1 329.404 2.072 20 0 EEADMM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743992 794208349 /nfs/dbraw/zinc/20/83/49/794208349.db2.gz VIZBYDZUNROLKI-HNNXBMFYSA-N -1 1 329.404 2.072 20 0 EEADMM Cc1c(C(=O)N2CCC(c3nn[n-]n3)CC2)cnn1C1CCCCC1 ZINC000913744195 794208999 /nfs/dbraw/zinc/20/89/99/794208999.db2.gz DGFOLQLLWUDMGF-UHFFFAOYSA-N -1 1 343.435 2.230 20 0 EEADMM O=C(c1nc(-c2ccccc2)cs1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745196 794211676 /nfs/dbraw/zinc/21/16/76/794211676.db2.gz SWWQSVSQZYIVGH-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)C(F)=C1CCCC1 ZINC000946533323 795527926 /nfs/dbraw/zinc/52/79/26/795527926.db2.gz RTMGFRVXIQFOFB-UHFFFAOYSA-N -1 1 347.390 2.306 20 0 EEADMM CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080281556 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CC/C=C(\C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081928829 797011117 /nfs/dbraw/zinc/01/11/17/797011117.db2.gz RUFMXDYQXSGSSA-GUNGLEHYSA-N -1 1 331.416 2.254 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001082024316 797082996 /nfs/dbraw/zinc/08/29/96/797082996.db2.gz ROVYCFDASPTKAS-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC/C(C)=C\C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001082057193 797143609 /nfs/dbraw/zinc/14/36/09/797143609.db2.gz LRBNSAGKKKYWBT-FZDNWWAKSA-N -1 1 331.416 2.254 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ncccc2[O-])o1 ZINC001002113270 797585177 /nfs/dbraw/zinc/58/51/77/797585177.db2.gz MJNOULRBHYXUAQ-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1noc(C(F)(F)F)n1 ZINC000916386020 797599256 /nfs/dbraw/zinc/59/92/56/797599256.db2.gz YCWBWMFUHYNOHN-RXMQYKEDSA-N -1 1 327.309 2.189 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cnc(OC)c(OC)c2)c1 ZINC001174546424 797799895 /nfs/dbraw/zinc/79/98/95/797799895.db2.gz 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CO[C@@H]1CC[C@H]2OCCN(CCOc3ccccc3C(=O)[O-])[C@H]2C1 ZINC001610990645 970832101 /nfs/dbraw/zinc/83/21/01/970832101.db2.gz GFFNIYILJFLWAG-UKPHBRMFSA-N -1 1 335.400 2.032 20 0 EEADMM CS(=O)(=O)c1cccc(Cl)c1CNC1CCC(C(=O)[O-])CC1 ZINC001611083440 970884754 /nfs/dbraw/zinc/88/47/54/970884754.db2.gz OSOBPUAUUNVGKU-UHFFFAOYSA-N -1 1 345.848 2.477 20 0 EEADMM CN1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1(C)C ZINC000324227932 971098835 /nfs/dbraw/zinc/09/88/35/971098835.db2.gz GNFIMZWHGFUNLK-UHFFFAOYSA-N -1 1 327.331 2.221 20 0 EEADMM Brc1cccc2c1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573280341 946659977 /nfs/dbraw/zinc/65/99/77/946659977.db2.gz UHGWSWAFTMARMN-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1cccc2c1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573280341 946659983 /nfs/dbraw/zinc/65/99/83/946659983.db2.gz UHGWSWAFTMARMN-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM CCOC(=O)c1cnn(C[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000825570292 947231455 /nfs/dbraw/zinc/23/14/55/947231455.db2.gz HJSZSZFDCQRDAG-NSHDSACASA-N -1 1 326.360 2.044 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826347212 948050921 /nfs/dbraw/zinc/05/09/21/948050921.db2.gz ITSXHIXRXFNAQL-PWSUYJOCSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826347212 948050923 /nfs/dbraw/zinc/05/09/23/948050923.db2.gz ITSXHIXRXFNAQL-PWSUYJOCSA-N -1 1 332.408 2.038 20 0 EEADMM Clc1nsc(N2CC[C@@H](Cc3ccncc3)C2)c1-c1nnn[n-]1 ZINC000826353737 948103380 /nfs/dbraw/zinc/10/33/80/948103380.db2.gz BWVCHJBHUJQBMM-JTQLQIEISA-N -1 1 347.835 2.441 20 0 EEADMM Clc1nsc(N2CC[C@@H](Cc3ccncc3)C2)c1-c1nn[n-]n1 ZINC000826353737 948103387 /nfs/dbraw/zinc/10/33/87/948103387.db2.gz BWVCHJBHUJQBMM-JTQLQIEISA-N -1 1 347.835 2.441 20 0 EEADMM CCOc1c(F)cccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001570926483 948690906 /nfs/dbraw/zinc/69/09/06/948690906.db2.gz ANGIMDWAKYRKTJ-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCOc1c(F)cccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001570926483 948690916 /nfs/dbraw/zinc/69/09/16/948690916.db2.gz ANGIMDWAKYRKTJ-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM O=C([O-])c1ccc(/C=C/C(=O)N2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001595226552 949302895 /nfs/dbraw/zinc/30/28/95/949302895.db2.gz KZKGBJBBXZYGPL-LOWQCSRCSA-N -1 1 340.379 2.034 20 0 EEADMM CS(=O)(=O)Cc1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1 ZINC001570951518 949750342 /nfs/dbraw/zinc/75/03/42/949750342.db2.gz UAAJLMYVIHXJNQ-UHFFFAOYSA-N -1 1 349.441 2.085 20 0 EEADMM O=C([O-])Cc1sccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000379235341 971619799 /nfs/dbraw/zinc/61/97/99/971619799.db2.gz UPZOHBUSPHUTMT-AWEZNQCLSA-N -1 1 344.436 2.380 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001593693098 954054826 /nfs/dbraw/zinc/05/48/26/954054826.db2.gz JBASCLSBKPWMJU-HNNXBMFYSA-N -1 1 346.362 2.343 20 0 EEADMM CN(CCCC(=O)[O-])C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001593744485 954373601 /nfs/dbraw/zinc/37/36/01/954373601.db2.gz BULQVSWPPLFQHZ-UHFFFAOYSA-N -1 1 342.399 2.253 20 0 EEADMM O=C([O-])[C@@H]1CN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)Cc2ccccc21 ZINC001594953808 954968393 /nfs/dbraw/zinc/96/83/93/954968393.db2.gz OTAYNQISGGTKQW-BASLNEPJSA-N -1 1 328.412 2.118 20 0 EEADMM COc1ccc([C@@H]2CN(CC3(O)CCC(C(=O)[O-])CC3)CCO2)cc1 ZINC000872164536 956055752 /nfs/dbraw/zinc/05/57/52/956055752.db2.gz SXOHYECTZDNUFQ-RMXPPQQLSA-N -1 1 349.427 2.074 20 0 EEADMM COc1cc(Br)c(CN[C@H]2C[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000874046715 956106307 /nfs/dbraw/zinc/10/63/07/956106307.db2.gz IDHYPDISEWRZHU-DTORHVGOSA-N -1 1 344.205 2.419 20 0 EEADMM C[C@](O)(CNCc1c(Br)ccc(Cl)c1F)C(=O)[O-] ZINC001589146352 956289681 /nfs/dbraw/zinc/28/96/81/956289681.db2.gz BWLKZZSFPQPFMG-NSHDSACASA-N -1 1 340.576 2.167 20 0 EEADMM CC(C)[C@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CCN1Cc1ccccc1 ZINC000902152263 956662819 /nfs/dbraw/zinc/66/28/19/956662819.db2.gz INFNJEYNDSHUEE-MDYRTPRTSA-N -1 1 344.455 2.466 20 0 EEADMM COC[C@]1(C(=O)[O-])CN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)CCO1 ZINC001593985159 956763543 /nfs/dbraw/zinc/76/35/43/956763543.db2.gz DXIKEGGHFPUIGO-LNLFQRSKSA-N -1 1 349.427 2.099 20 0 EEADMM COc1ccc(Cn2cc(CN3C[C@@H](C(=O)[O-])CC[C@@H]3C)nn2)cc1 ZINC001594098456 958419682 /nfs/dbraw/zinc/41/96/82/958419682.db2.gz PUEPBXBJEMYLLZ-ZFWWWQNUSA-N -1 1 344.415 2.020 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)c(=O)c2c1 ZINC001594385130 958654418 /nfs/dbraw/zinc/65/44/18/958654418.db2.gz GDIQCXNHBVDHAT-SMDDNHRTSA-N -1 1 328.368 2.019 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN3CCC(C)(C(=O)[O-])CC3)C2)c1 ZINC001594401519 958860748 /nfs/dbraw/zinc/86/07/48/958860748.db2.gz OGBHUHHQLOPCMJ-MRXNPFEDSA-N -1 1 330.428 2.455 20 0 EEADMM Cc1cccc([C@H](NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)C(=O)[O-])c1 ZINC001574390376 961170154 /nfs/dbraw/zinc/17/01/54/961170154.db2.gz VZBOWEHJYACADT-UVBJJODRSA-N -1 1 327.384 2.326 20 0 EEADMM Cc1cccc([C@H](NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C(=O)[O-])c1 ZINC001574390375 961170891 /nfs/dbraw/zinc/17/08/91/961170891.db2.gz VZBOWEHJYACADT-RLCCDNCMSA-N -1 1 327.384 2.326 20 0 EEADMM Cc1cccc(S(=O)(=O)CCCN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001574396960 961212396 /nfs/dbraw/zinc/21/23/96/961212396.db2.gz GKXYZIXCYNONFF-HOCLYGCPSA-N -1 1 339.457 2.201 20 0 EEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])nc2)n[nH]1 ZINC001571214598 962489529 /nfs/dbraw/zinc/48/95/29/962489529.db2.gz RCXWPGTZRKSSOA-DTWKUNHWSA-N -1 1 332.364 2.294 20 0 EEADMM CC(=O)Nc1nc(CN2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cs1 ZINC001549037862 962940238 /nfs/dbraw/zinc/94/02/38/962940238.db2.gz RCQXHDPIQFFEQK-LSDHHAIUSA-N -1 1 345.424 2.402 20 0 EEADMM Cc1ccc(S(=O)(=O)C2CCN([C@@H](C(=O)[O-])C3CC3)CC2)cc1 ZINC000872165252 969350218 /nfs/dbraw/zinc/35/02/18/969350218.db2.gz CMZPTLLSGGWCCG-MRXNPFEDSA-N -1 1 337.441 2.096 20 0 EEADMM CN1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1(C)C ZINC000320554660 970678221 /nfs/dbraw/zinc/67/82/21/970678221.db2.gz MUGPLOIDXIPSRN-UHFFFAOYSA-N -1 1 327.331 2.221 20 0 EEADMM Cc1ccc2nc(CNC[C@@H]3CCC4(CC(C(=O)[O-])C4)O3)cn2c1 ZINC001605315232 973146189 /nfs/dbraw/zinc/14/61/89/973146189.db2.gz ZVAXNVGYCNRLEE-DBQDNQAGSA-N -1 1 329.400 2.145 20 0 EEADMM CC(C)Oc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cn1 ZINC001591775341 975917704 /nfs/dbraw/zinc/91/77/04/975917704.db2.gz NTTCKWVBSCUQFW-CYBMUJFWSA-N -1 1 330.388 2.388 20 0 EEADMM CC(C)Oc1cccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001591792062 975993573 /nfs/dbraw/zinc/99/35/73/975993573.db2.gz BUUPNHFYTCQNSV-NLGTXKQRSA-N -1 1 347.411 2.471 20 0 EEADMM CC(C)[C@H](NC(=O)CN1CCCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001591866594 976172497 /nfs/dbraw/zinc/17/24/97/976172497.db2.gz JUHWNNYKNWMUSQ-WMZOPIPTSA-N -1 1 332.444 2.309 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000689100868 976220798 /nfs/dbraw/zinc/22/07/98/976220798.db2.gz WRJIFYVJOPFFSZ-AWEZNQCLSA-N -1 1 328.368 2.291 20 0 EEADMM CC(C)c1scnc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001592118092 976924570 /nfs/dbraw/zinc/92/45/70/976924570.db2.gz ZHVUBDNZZJAZLN-LLVKDONJSA-N -1 1 340.449 2.279 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000716188395 977814376 /nfs/dbraw/zinc/81/43/76/977814376.db2.gz NMUDLWCFHCBYOQ-YESZJQIVSA-N -1 1 330.428 2.268 20 0 EEADMM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(C(=O)[O-])on1 ZINC000716192938 977814640 /nfs/dbraw/zinc/81/46/40/977814640.db2.gz NYRPNMAMBABNSR-IUODEOHRSA-N -1 1 343.383 2.013 20 0 EEADMM C[C@H](Cc1ccc(NC(=O)Cc2csc(CN)n2)cc1)C(=O)[O-] ZINC001592858525 979673848 /nfs/dbraw/zinc/67/38/48/979673848.db2.gz JEIQIWJFPBCPCS-SNVBAGLBSA-N -1 1 333.413 2.046 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001592885336 979769239 /nfs/dbraw/zinc/76/92/39/979769239.db2.gz MSESXPDRSOOUBU-KGLIPLIRSA-N -1 1 336.407 2.012 20 0 EEADMM Cc1ccc(-c2ncc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])s2)cc1 ZINC000901743140 980473395 /nfs/dbraw/zinc/47/33/95/980473395.db2.gz GOFJDSJVAWBOGX-RYUDHWBXSA-N -1 1 347.440 2.186 20 0 EEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cnc3ccccc3n2)C1 ZINC000901789574 980520849 /nfs/dbraw/zinc/52/08/49/980520849.db2.gz ZWUOOYPIWUOQKF-AWEZNQCLSA-N -1 1 325.290 2.469 20 0 EEADMM C[C@@H](Oc1ccc(CN2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)cc1)C(=O)[O-] ZINC000902436950 980885133 /nfs/dbraw/zinc/88/51/33/980885133.db2.gz YAWDLCCCCKLBLI-BKEDOTJMSA-N -1 1 349.427 2.307 20 0 EEADMM O=C([O-])[C@H](NCCOCC(F)F)c1ccccc1Br ZINC000905396032 981115780 /nfs/dbraw/zinc/11/57/80/981115780.db2.gz PXIBGODZMPZGJJ-LLVKDONJSA-N -1 1 338.148 2.446 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001594985179 982797745 /nfs/dbraw/zinc/79/77/45/982797745.db2.gz IMNNPVMFSQPPCV-CYBMUJFWSA-N -1 1 348.447 2.399 20 0 EEADMM CCCN1CCCC[C@H]1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595909914 983000150 /nfs/dbraw/zinc/00/01/50/983000150.db2.gz VTDFVRCLSREAPI-MNOVXSKESA-N -1 1 325.434 2.283 20 0 EEADMM CCOC(=O)CCN(Cn1ncc2cc(C(=O)[O-])ccc21)C1CC1 ZINC001596610444 984574653 /nfs/dbraw/zinc/57/46/53/984574653.db2.gz QUBZPTMVDMSTGJ-UHFFFAOYSA-N -1 1 331.372 2.110 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001594515379 985875026 /nfs/dbraw/zinc/87/50/26/985875026.db2.gz HOZLCDXJFSKPGO-FXUDXRNXSA-N -1 1 337.464 2.146 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(C(F)F)ccc1F ZINC001594520428 985976502 /nfs/dbraw/zinc/97/65/02/985976502.db2.gz RQPCXWVAQMWNEN-SNVBAGLBSA-N -1 1 344.333 2.384 20 0 EEADMM Cc1c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc2cncn21 ZINC001599978947 986134569 /nfs/dbraw/zinc/13/45/69/986134569.db2.gz YFQJBFNCZDHXRU-QGZVFWFLSA-N -1 1 335.363 2.467 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CC1(c2ccccc2)CC1 ZINC001589351418 986318591 /nfs/dbraw/zinc/31/85/91/986318591.db2.gz ZMRAFLLGLBLYBI-OAHLLOKOSA-N -1 1 344.455 2.362 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cnc(N)s1 ZINC001594569220 986378381 /nfs/dbraw/zinc/37/83/81/986378381.db2.gz OEAPZLDKVWWOMG-NSHDSACASA-N -1 1 332.429 2.134 20 0 EEADMM CCc1ccc([C@H](C)C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC001597511957 988095080 /nfs/dbraw/zinc/09/50/80/988095080.db2.gz LNIXWNKYXKGPBB-GJZGRUSLSA-N -1 1 332.444 2.360 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001597655765 988704913 /nfs/dbraw/zinc/70/49/13/988704913.db2.gz GOEPAEJQUBSIIA-MRVPVSSYSA-N -1 1 342.359 2.429 20 0 EEADMM C[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2c(c1)CCO2 ZINC001599841327 988838658 /nfs/dbraw/zinc/83/86/58/988838658.db2.gz ZFXRSJJZOSOEQL-LLVKDONJSA-N -1 1 341.367 2.004 20 0 EEADMM C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1c(O)cccc1F ZINC001599843194 988884710 /nfs/dbraw/zinc/88/47/10/988884710.db2.gz CYWSEGSJLUPZPD-BZNIZROVSA-N -1 1 347.342 2.008 20 0 EEADMM CCc1nn(C)c(CC)c1CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001597715986 988979942 /nfs/dbraw/zinc/97/99/42/988979942.db2.gz INANMRUYEMCCRK-SFHVURJKSA-N -1 1 330.432 2.420 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC001597785729 989305475 /nfs/dbraw/zinc/30/54/75/989305475.db2.gz PXPDQWBIJZWBTI-UHFFFAOYSA-N -1 1 349.315 2.310 20 0 EEADMM CC(C)(C)OC(=O)NCCCCCCCN1CCO[C@H](C(=O)[O-])C1 ZINC001590184502 989532200 /nfs/dbraw/zinc/53/22/00/989532200.db2.gz CUHGBYIWZRVDOB-AWEZNQCLSA-N -1 1 344.452 2.247 20 0 EEADMM CN(C)c1ccnc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001598345536 991418530 /nfs/dbraw/zinc/41/85/30/991418530.db2.gz CYFIGWGEUDVLMS-UHFFFAOYSA-N -1 1 342.399 2.487 20 0 EEADMM CC(C)CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cc(O)cc(F)c1 ZINC001591314279 992281078 /nfs/dbraw/zinc/28/10/78/992281078.db2.gz QYOQVBIIPIIBKP-UHFFFAOYSA-N -1 1 347.408 2.289 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001598529292 992757909 /nfs/dbraw/zinc/75/79/09/992757909.db2.gz ZYLDGPCLPMZTJS-UHFFFAOYSA-N -1 1 342.439 2.364 20 0 EEADMM COc1ccc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c(C(=O)[O-])c1 ZINC001599589329 993656938 /nfs/dbraw/zinc/65/69/38/993656938.db2.gz GATNAXWGIRBWQX-ZANVPECISA-N -1 1 329.356 2.421 20 0 EEADMM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1nc2ccc(Cl)cc2[nH]1 ZINC001593140957 993926279 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NC(=O)c1ccc(-c2nc(CN3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000740333900 578090538 /nfs/dbraw/zinc/09/05/38/578090538.db2.gz PAFQZKPWTAJCGZ-UHFFFAOYSA-N -1 1 345.424 2.206 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)N1CCCC[C@H]1C ZINC000736136971 578182739 /nfs/dbraw/zinc/18/27/39/578182739.db2.gz ICYQASXUJSVRSE-NXEZZACHSA-N -1 1 349.826 2.117 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@H]1C ZINC000736136971 578182740 /nfs/dbraw/zinc/18/27/40/578182740.db2.gz ICYQASXUJSVRSE-NXEZZACHSA-N -1 1 349.826 2.117 20 0 EEADMM CC(C)[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)N(C)C ZINC000736348760 578198127 /nfs/dbraw/zinc/19/81/27/578198127.db2.gz CNPGPMACEUWMAM-LBPRGKRZSA-N -1 1 336.417 2.361 20 0 EEADMM CCC[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736422608 578202968 /nfs/dbraw/zinc/20/29/68/578202968.db2.gz JJRKUCBWNDVDJK-VIFPVBQESA-N -1 1 343.840 2.329 20 0 EEADMM CCC[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736422608 578202969 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CSCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737182914 578242652 /nfs/dbraw/zinc/24/26/52/578242652.db2.gz RXSILMSXMLNCNK-UHFFFAOYSA-N -1 1 346.416 2.042 20 0 EEADMM CSCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737182914 578242653 /nfs/dbraw/zinc/24/26/53/578242653.db2.gz RXSILMSXMLNCNK-UHFFFAOYSA-N -1 1 346.416 2.042 20 0 EEADMM CCS[C@@H]1CCCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000737232104 578245034 /nfs/dbraw/zinc/24/50/34/578245034.db2.gz XXGHMVMEWHTPAV-CQSZACIVSA-N -1 1 342.505 2.498 20 0 EEADMM CCn1ccnc1CN1CCCN(Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000737303290 578249318 /nfs/dbraw/zinc/24/93/18/578249318.db2.gz VVMMBNLUUYRMRU-UHFFFAOYSA-N -1 1 346.431 2.211 20 0 EEADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026694 578276966 /nfs/dbraw/zinc/27/69/66/578276966.db2.gz UNAWONSNWOADQM-ZBFHGGJFSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026694 578276967 /nfs/dbraw/zinc/27/69/67/578276967.db2.gz UNAWONSNWOADQM-ZBFHGGJFSA-N -1 1 348.410 2.403 20 0 EEADMM Cc1cc(C)cc(OCCCn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000822197514 607348153 /nfs/dbraw/zinc/34/81/53/607348153.db2.gz DJNOVWFGUKOVGP-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(C)cc2c[nH]nc21 ZINC000262443380 600499207 /nfs/dbraw/zinc/49/92/07/600499207.db2.gz VBXFKVXOEYESAG-CYBMUJFWSA-N -1 1 347.415 2.461 20 0 EEADMM CC[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)CCN1CCOC ZINC000829162753 600813031 /nfs/dbraw/zinc/81/30/31/600813031.db2.gz UBPXXJCYSKYILR-SECBINFHSA-N -1 1 333.841 2.042 20 0 EEADMM COC[C@H](C)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831643976 601001145 /nfs/dbraw/zinc/00/11/45/601001145.db2.gz UJYXSIAOTBFUHQ-SWLSCSKDSA-N -1 1 326.824 2.118 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)ccn1 ZINC000833163904 601248990 /nfs/dbraw/zinc/24/89/90/601248990.db2.gz ZRQRHNRTPAMXCO-UHFFFAOYSA-N -1 1 343.730 2.471 20 0 EEADMM CC(=O)c1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000825951461 601338211 /nfs/dbraw/zinc/33/82/11/601338211.db2.gz KATISBLBKVMIAE-LBPRGKRZSA-N -1 1 349.456 2.067 20 0 EEADMM COc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832562273 601382765 /nfs/dbraw/zinc/38/27/65/601382765.db2.gz MBQXDWIQUXIFPL-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000828717835 601542684 /nfs/dbraw/zinc/54/26/84/601542684.db2.gz KQGXYFOTMWHCGR-UCLAIMLFSA-N -1 1 332.444 2.266 20 0 EEADMM CCCc1nc([C@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)n[nH]1 ZINC000829571796 601646591 /nfs/dbraw/zinc/64/65/91/601646591.db2.gz WZXXDFDUSNZWHV-CQSZACIVSA-N -1 1 348.378 2.168 20 0 EEADMM CCCc1n[nH]c([C@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)n1 ZINC000829571796 601646592 /nfs/dbraw/zinc/64/65/92/601646592.db2.gz WZXXDFDUSNZWHV-CQSZACIVSA-N -1 1 348.378 2.168 20 0 EEADMM c1ccc2c(c1)N(Cc1ccnc(-c3nnn[n-]3)c1)CCN2CC1CC1 ZINC000826523210 607522346 /nfs/dbraw/zinc/52/23/46/607522346.db2.gz FICKKEWPXNGPEV-UHFFFAOYSA-N -1 1 347.426 2.498 20 0 EEADMM c1ccc2c(c1)N(Cc1ccnc(-c3nn[n-]n3)c1)CCN2CC1CC1 ZINC000826523210 607522350 /nfs/dbraw/zinc/52/23/50/607522350.db2.gz FICKKEWPXNGPEV-UHFFFAOYSA-N -1 1 347.426 2.498 20 0 EEADMM Cc1ccc(C)c(C[S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826285374 607530494 /nfs/dbraw/zinc/53/04/94/607530494.db2.gz YAVJYZKKHNOPAK-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM Cc1ccc(C)c(C[S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826285374 607530495 /nfs/dbraw/zinc/53/04/95/607530495.db2.gz YAVJYZKKHNOPAK-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM CC[C@@H]1C[C@@H](C)CN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829076020 601881564 /nfs/dbraw/zinc/88/15/64/601881564.db2.gz ZFOSJIFXTDENBE-TZMCWYRMSA-N -1 1 345.399 2.231 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826523080 607544649 /nfs/dbraw/zinc/54/46/49/607544649.db2.gz ZZRPHMGEBKRPCA-CHWSQXEVSA-N -1 1 336.399 2.278 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826523080 607544650 /nfs/dbraw/zinc/54/46/50/607544650.db2.gz ZZRPHMGEBKRPCA-CHWSQXEVSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(C)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000832907676 604274470 /nfs/dbraw/zinc/27/44/70/604274470.db2.gz GLMMDJDIDFGFLJ-LLVKDONJSA-N -1 1 348.428 2.051 20 0 EEADMM COc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccn3)[nH]n2)cc1 ZINC000832116207 604278423 /nfs/dbraw/zinc/27/84/23/604278423.db2.gz NIVBZIBAKVRZLB-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCSc2ccccc21 ZINC000833618534 605111465 /nfs/dbraw/zinc/11/14/65/605111465.db2.gz CDMJZJXAYTVKLE-DZGCQCFKSA-N -1 1 348.468 2.273 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1ccc(F)cc1 ZINC000833623140 605165054 /nfs/dbraw/zinc/16/50/54/605165054.db2.gz QTWQBUXXBJPJLA-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM Cc1cccc(-c2noc(CN3CCN(CCC(=O)[O-])C[C@H]3C)n2)c1 ZINC000833752301 605201909 /nfs/dbraw/zinc/20/19/09/605201909.db2.gz PQRDRZDBJGPWAE-CQSZACIVSA-N -1 1 344.415 2.026 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000833624439 605206871 /nfs/dbraw/zinc/20/68/71/605206871.db2.gz IGEDDWHSZCGDFJ-NSHDSACASA-N -1 1 349.818 2.442 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c(C)c1F ZINC000833734481 605265675 /nfs/dbraw/zinc/26/56/75/605265675.db2.gz HAGJSIYAROYLPS-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM CCc1cnccc1[C@H](C)N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833674223 605270750 /nfs/dbraw/zinc/27/07/50/605270750.db2.gz OOLWKODUJMIPTM-QWHCGFSZSA-N -1 1 333.432 2.006 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833619118 605279017 /nfs/dbraw/zinc/27/90/17/605279017.db2.gz SLGZMJGCWBFONS-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820919309 606172518 /nfs/dbraw/zinc/17/25/18/606172518.db2.gz BJHSGTXZPFNLSK-LBPRGKRZSA-N -1 1 332.412 2.081 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820919309 606172520 /nfs/dbraw/zinc/17/25/20/606172520.db2.gz BJHSGTXZPFNLSK-LBPRGKRZSA-N -1 1 332.412 2.081 20 0 EEADMM CCC[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821014326 606224819 /nfs/dbraw/zinc/22/48/19/606224819.db2.gz DTGFGWIGKSAPCR-SECBINFHSA-N -1 1 333.392 2.249 20 0 EEADMM CC(C)Cc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cs1 ZINC000820108391 606294908 /nfs/dbraw/zinc/29/49/08/606294908.db2.gz KGCHDXQXSJWHRI-UHFFFAOYSA-N -1 1 344.400 2.480 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc2ccsc2c1 ZINC000823294718 606296026 /nfs/dbraw/zinc/29/60/26/606296026.db2.gz OPJBQONRWGTMHE-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM O=C(c1ccc(Oc2ncccc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000823488492 606433116 /nfs/dbraw/zinc/43/31/16/606433116.db2.gz OKYKWIWQYJDRNS-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]1C ZINC000822535146 606437236 /nfs/dbraw/zinc/43/72/36/606437236.db2.gz IAIVSJYWZNKGAK-JTQLQIEISA-N -1 1 326.360 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]1C ZINC000822535146 606437238 /nfs/dbraw/zinc/43/72/38/606437238.db2.gz IAIVSJYWZNKGAK-JTQLQIEISA-N -1 1 326.360 2.183 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2ccccn21 ZINC000820456909 606444532 /nfs/dbraw/zinc/44/45/32/606444532.db2.gz WYYSOSFXZUYKGF-QMMMGPOBSA-N -1 1 341.766 2.131 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC000820456909 606444533 /nfs/dbraw/zinc/44/45/33/606444533.db2.gz WYYSOSFXZUYKGF-QMMMGPOBSA-N -1 1 341.766 2.131 20 0 EEADMM OCCOc1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000823721750 606468055 /nfs/dbraw/zinc/46/80/55/606468055.db2.gz ISFBARDPMWOFES-UHFFFAOYSA-N -1 1 332.751 2.030 20 0 EEADMM OCCOc1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000823721750 606468057 /nfs/dbraw/zinc/46/80/57/606468057.db2.gz ISFBARDPMWOFES-UHFFFAOYSA-N -1 1 332.751 2.030 20 0 EEADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822693851 606521705 /nfs/dbraw/zinc/52/17/05/606521705.db2.gz LWKUUGIUOOFNKO-NSHDSACASA-N -1 1 328.401 2.244 20 0 EEADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822693851 606521707 /nfs/dbraw/zinc/52/17/07/606521707.db2.gz LWKUUGIUOOFNKO-NSHDSACASA-N -1 1 328.401 2.244 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc(-c2nnn[n-]2)s1 ZINC000823161959 606562710 /nfs/dbraw/zinc/56/27/10/606562710.db2.gz PYVZTXGNBIIZQI-SNVBAGLBSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc(-c2nn[n-]n2)s1 ZINC000823161959 606562711 /nfs/dbraw/zinc/56/27/11/606562711.db2.gz PYVZTXGNBIIZQI-SNVBAGLBSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1 ZINC000823440545 606651385 /nfs/dbraw/zinc/65/13/85/606651385.db2.gz YHQFMCMVXWDQPE-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1 ZINC000823440545 606651386 /nfs/dbraw/zinc/65/13/86/606651386.db2.gz YHQFMCMVXWDQPE-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823797128 606728343 /nfs/dbraw/zinc/72/83/43/606728343.db2.gz LJESXPDMDXWWRL-QKCSRTOESA-N -1 1 337.387 2.179 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823797128 606728344 /nfs/dbraw/zinc/72/83/44/606728344.db2.gz LJESXPDMDXWWRL-QKCSRTOESA-N -1 1 337.387 2.179 20 0 EEADMM O=C(OC[C@@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400868 606762329 /nfs/dbraw/zinc/76/23/29/606762329.db2.gz KVQNOGCSWSIPHO-JTQLQIEISA-N -1 1 328.353 2.089 20 0 EEADMM O=C(OC[C@@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400868 606762331 /nfs/dbraw/zinc/76/23/31/606762331.db2.gz KVQNOGCSWSIPHO-JTQLQIEISA-N -1 1 328.353 2.089 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(OCC2CC2)cc1 ZINC000823380067 607024844 /nfs/dbraw/zinc/02/48/44/607024844.db2.gz OXAUDVUUAJFLLU-UHFFFAOYSA-N -1 1 342.384 2.364 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(OCC2CC2)cc1 ZINC000823380067 607024846 /nfs/dbraw/zinc/02/48/46/607024846.db2.gz OXAUDVUUAJFLLU-UHFFFAOYSA-N -1 1 342.384 2.364 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823379617 607105686 /nfs/dbraw/zinc/10/56/86/607105686.db2.gz AWSKPCPQPPFMJN-IONNQARKSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000823379617 607105687 /nfs/dbraw/zinc/10/56/87/607105687.db2.gz AWSKPCPQPPFMJN-IONNQARKSA-N -1 1 348.338 2.344 20 0 EEADMM COCCN(Cc1ccc(C)o1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821690740 607117887 /nfs/dbraw/zinc/11/78/87/607117887.db2.gz XXIURIULQIFMJW-UHFFFAOYSA-N -1 1 348.794 2.470 20 0 EEADMM COCCN(Cc1ccc(C)o1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821690740 607117888 /nfs/dbraw/zinc/11/78/88/607117888.db2.gz XXIURIULQIFMJW-UHFFFAOYSA-N -1 1 348.794 2.470 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C1CCC1 ZINC000826340565 607912507 /nfs/dbraw/zinc/91/25/07/607912507.db2.gz CROZZXPIZVWQJK-JTQLQIEISA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C1CCC1 ZINC000826340565 607912508 /nfs/dbraw/zinc/91/25/08/607912508.db2.gz CROZZXPIZVWQJK-JTQLQIEISA-N -1 1 340.387 2.477 20 0 EEADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1ccc(F)cc1[O-] ZINC000826401870 607996286 /nfs/dbraw/zinc/99/62/86/607996286.db2.gz IOTBVLIUZLMZBY-VMPITWQZSA-N -1 1 325.303 2.363 20 0 EEADMM O=C(Nc1ccc(F)cc1[O-])c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826455083 607996529 /nfs/dbraw/zinc/99/65/29/607996529.db2.gz YJYGMSYPRPEYSQ-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM Clc1nsc(Nc2cnn(-c3ccccn3)c2)c1-c1nnn[n-]1 ZINC000826354388 608186227 /nfs/dbraw/zinc/18/62/27/608186227.db2.gz ARRUYCHTSWRYFC-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM Clc1nsc(Nc2cnn(-c3ccccn3)c2)c1-c1nn[n-]n1 ZINC000826354388 608186228 /nfs/dbraw/zinc/18/62/28/608186228.db2.gz ARRUYCHTSWRYFC-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(OC(F)F)c1 ZINC000824656821 608397731 /nfs/dbraw/zinc/39/77/31/608397731.db2.gz NGPUMPNIRGLGFJ-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(OC(F)F)c1 ZINC000824656821 608397733 /nfs/dbraw/zinc/39/77/33/608397733.db2.gz NGPUMPNIRGLGFJ-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM c1ccc(COCCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521305 608409126 /nfs/dbraw/zinc/40/91/26/608409126.db2.gz HKLWQRHRACUTQM-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM c1ccc(COCCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521305 608409127 /nfs/dbraw/zinc/40/91/27/608409127.db2.gz HKLWQRHRACUTQM-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM Cc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)nn3)co2)cc1 ZINC000826273501 608410566 /nfs/dbraw/zinc/41/05/66/608410566.db2.gz HHHBLOKBQLLTPK-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)nn3)co2)cc1 ZINC000826273501 608410568 /nfs/dbraw/zinc/41/05/68/608410568.db2.gz HHHBLOKBQLLTPK-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Clc1cccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826353637 608421640 /nfs/dbraw/zinc/42/16/40/608421640.db2.gz XRUZAWVSCUAVEO-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1cccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826353637 608421641 /nfs/dbraw/zinc/42/16/41/608421641.db2.gz XRUZAWVSCUAVEO-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM CC[C@@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000890609578 675090672 /nfs/dbraw/zinc/09/06/72/675090672.db2.gz KJAZISDVONKECX-CYBMUJFWSA-N -1 1 334.397 2.295 20 0 EEADMM CCc1cnc(NC(=O)NCCn2c(CC)n[n-]c2=S)s1 ZINC000084333500 675499287 /nfs/dbraw/zinc/49/92/87/675499287.db2.gz YZJRXXPKSXHYMC-UHFFFAOYSA-N -1 1 326.451 2.344 20 0 EEADMM COC1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CCCCCC1 ZINC000890839690 675674192 /nfs/dbraw/zinc/67/41/92/675674192.db2.gz VYQZCAOHTWQPJZ-UHFFFAOYSA-N -1 1 334.445 2.487 20 0 EEADMM C[N@H+](Cc1ccnc(Cl)c1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971392857 676520496 /nfs/dbraw/zinc/52/04/96/676520496.db2.gz AHKONEIUQGRBQX-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM CN(Cc1ccncc1Cl)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971392967 676520746 /nfs/dbraw/zinc/52/07/46/676520746.db2.gz CWYMMLYJGMQYQZ-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM C[C@@H]1CCn2ncc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)c2C1 ZINC000891615446 676721296 /nfs/dbraw/zinc/72/12/96/676721296.db2.gz RYGLAWYZSWMNCM-SNVBAGLBSA-N -1 1 327.388 2.092 20 0 EEADMM Cc1cnc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])s1 ZINC001024408307 679892136 /nfs/dbraw/zinc/89/21/36/679892136.db2.gz ZUSWHNXZKYOQCE-CYBMUJFWSA-N -1 1 346.456 2.337 20 0 EEADMM O=C(CC1CCCCC1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000972936711 681193941 /nfs/dbraw/zinc/19/39/41/681193941.db2.gz KSQSGUBUHAAVNQ-HDJSIYSDSA-N -1 1 331.416 2.135 20 0 EEADMM CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000319445112 681386226 /nfs/dbraw/zinc/38/62/26/681386226.db2.gz HPZCEALFXJMSLE-JTQLQIEISA-N -1 1 348.852 2.045 20 0 EEADMM Cc1nsc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001028497819 681647020 /nfs/dbraw/zinc/64/70/20/681647020.db2.gz APCRRNXYXCLHHO-ZDUSSCGKSA-N -1 1 346.456 2.112 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1)c1ncccc1[O-] ZINC000937218588 681722078 /nfs/dbraw/zinc/72/20/78/681722078.db2.gz IVRCFYIBRQVFLW-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM COCc1nc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc(=O)[n-]1 ZINC000892633649 682026663 /nfs/dbraw/zinc/02/66/63/682026663.db2.gz VJAXASQKHOHXIA-GFCCVEGCSA-N -1 1 348.790 2.199 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001025166931 682140920 /nfs/dbraw/zinc/14/09/20/682140920.db2.gz CNWWEMCDELCWHH-RDTXWAMCSA-N -1 1 347.463 2.118 20 0 EEADMM CCc1ccsc1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973198118 682295388 /nfs/dbraw/zinc/29/53/88/682295388.db2.gz VFRMXNIQMBDCGZ-HAQNSBGRSA-N -1 1 345.424 2.102 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199214 682296430 /nfs/dbraw/zinc/29/64/30/682296430.db2.gz QHSABMNHLMDDLZ-HAQNSBGRSA-N -1 1 345.443 2.237 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC000973493446 682679149 /nfs/dbraw/zinc/67/91/49/682679149.db2.gz XLYOBKJPVCEAIG-HAQNSBGRSA-N -1 1 348.447 2.037 20 0 EEADMM CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973666809 682877784 /nfs/dbraw/zinc/87/77/84/682877784.db2.gz WCOMZVZYQYFHCK-YHWZYXNKSA-N -1 1 331.416 2.085 20 0 EEADMM CC(C)=CC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973728722 683193545 /nfs/dbraw/zinc/19/35/45/683193545.db2.gz XHQBRIFEMCUEQM-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCc2cccc(C)c2)o1 ZINC000180311127 684007115 /nfs/dbraw/zinc/00/71/15/684007115.db2.gz CROIKISHIVYFTJ-UHFFFAOYSA-N -1 1 337.397 2.286 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC2 ZINC000909452551 684039041 /nfs/dbraw/zinc/03/90/41/684039041.db2.gz FDPRJOOYRIVMNR-UHFFFAOYSA-N -1 1 339.273 2.325 20 0 EEADMM CN(C(=O)[C@H]1CC12CCC2)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984108702 684111305 /nfs/dbraw/zinc/11/13/05/684111305.db2.gz BPQDNYUECWNQMA-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)[C@]1(C)C=CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984118383 684118734 /nfs/dbraw/zinc/11/87/34/684118734.db2.gz KFAMRRNVVGDTDD-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM CC1=CC[C@](C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974055572 684266002 /nfs/dbraw/zinc/26/60/02/684266002.db2.gz ICJNAPMDYVOGKV-KSMMKXTCSA-N -1 1 343.427 2.301 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccccc1Cl ZINC000974056480 684274594 /nfs/dbraw/zinc/27/45/94/684274594.db2.gz JKRBWQAABFBXEM-PHIMTYICSA-N -1 1 345.786 2.131 20 0 EEADMM CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000974056441 684274907 /nfs/dbraw/zinc/27/49/07/684274907.db2.gz PYFFIHINXZYWCK-OKILXGFUSA-N -1 1 345.443 2.381 20 0 EEADMM CN(C(=O)CN1CCC[C@H](C(=O)[O-])C1)C1C2CC3CC(C2)CC1C3 ZINC000909398856 693871577 /nfs/dbraw/zinc/87/15/77/693871577.db2.gz OXORTLAKPZMIQS-UEWVTKSYSA-N -1 1 334.460 2.066 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H](C2OCCO2)C1 ZINC000896076631 684827427 /nfs/dbraw/zinc/82/74/27/684827427.db2.gz WCPNMTBMNZETRQ-ZDUSSCGKSA-N -1 1 343.379 2.476 20 0 EEADMM O=C(NCCCN1CCCCC1=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896214889 684905128 /nfs/dbraw/zinc/90/51/28/684905128.db2.gz RDKRJPNGGCYSJS-UHFFFAOYSA-N -1 1 342.395 2.383 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000896903552 685763164 /nfs/dbraw/zinc/76/31/64/685763164.db2.gz PEMDYWGFPNWDIR-OAHLLOKOSA-N -1 1 329.352 2.323 20 0 EEADMM Cc1sc2ncn([N-]C(=O)c3cccc4c[nH]nc43)c(=O)c2c1C ZINC000128636127 693995672 /nfs/dbraw/zinc/99/56/72/693995672.db2.gz VCPVFNIWXJINJU-UHFFFAOYSA-N -1 1 339.380 2.335 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C2CCCCC2)C1)c1ncccc1[O-] ZINC000975227571 686320544 /nfs/dbraw/zinc/32/05/44/686320544.db2.gz VAFPIXLCMBLXAH-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1nc(CN(C)C[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC001029713767 686900443 /nfs/dbraw/zinc/90/04/43/686900443.db2.gz QQWLWCYGQBMSGB-CYBMUJFWSA-N -1 1 346.456 2.146 20 0 EEADMM CC[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)N(C)C ZINC000909639055 687282113 /nfs/dbraw/zinc/28/21/13/687282113.db2.gz BZGBNZBBAHHMSL-HNNXBMFYSA-N -1 1 330.388 2.158 20 0 EEADMM CC(C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001059617387 687428681 /nfs/dbraw/zinc/42/86/81/687428681.db2.gz KHUBDHSWZBAAJS-CQSZACIVSA-N -1 1 343.427 2.256 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000936464514 687590209 /nfs/dbraw/zinc/59/02/09/687590209.db2.gz RZXPJWUSULBZQS-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000986838115 688994512 /nfs/dbraw/zinc/99/45/12/688994512.db2.gz PIGNPYZBUCGSDZ-LBPRGKRZSA-N -1 1 349.406 2.408 20 0 EEADMM CC1(C(=O)N[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC000987004562 689211907 /nfs/dbraw/zinc/21/19/07/689211907.db2.gz UZYSBRAOVLBJSC-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1c([C@@H](NCc2csc(Br)c2)C(=O)[O-])cnn1C ZINC000904047601 694282840 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CC[C@@H]1CCC[C@]1(C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011036889 1224022694 /nfs/dbraw/zinc/02/26/94/1224022694.db2.gz YQSHDFHSEJQHFH-KUHUBIRLSA-N -1 1 345.443 2.288 20 0 EEADMM CN(C(=O)c1ccoc1Cl)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016447904 1226490475 /nfs/dbraw/zinc/49/04/75/1226490475.db2.gz AEBCMRYKVPNBKZ-UHFFFAOYSA-N -1 1 349.774 2.067 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)C2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001017902272 1227841268 /nfs/dbraw/zinc/84/12/68/1227841268.db2.gz HESIIMCEUVHTCN-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNc1ncncc1Cl ZINC001054678925 1248850759 /nfs/dbraw/zinc/85/07/59/1248850759.db2.gz XCBPHYRHERVHOF-GHMZBOCLSA-N -1 1 347.806 2.051 20 0 EEADMM CC(C)(C)c1cnc(CN[C@H]2CCN(C(=O)c3ncccc3[O-])C2)o1 ZINC001018756005 1228370170 /nfs/dbraw/zinc/37/01/70/1228370170.db2.gz KCPWVDSWXLSTSV-LBPRGKRZSA-N -1 1 344.415 2.077 20 0 EEADMM C/C=C(/C)C(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001019741919 1229306918 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2.096 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042646590 1232128957 /nfs/dbraw/zinc/12/89/57/1232128957.db2.gz SROWGUBSXHENHY-PBHICJAKSA-N -1 1 347.459 2.139 20 0 EEADMM COC(=O)c1cnc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC001413143453 1234338419 /nfs/dbraw/zinc/33/84/19/1234338419.db2.gz YBLWMRGZFALJPM-ZCFIWIBFSA-N -1 1 342.323 2.405 20 0 EEADMM O=C(NCCOc1ccc(F)c(F)c1)c1cnc(C2CC2)[n-]c1=O ZINC000900601567 1234547169 /nfs/dbraw/zinc/54/71/69/1234547169.db2.gz HQUXZQGMJNKIMG-UHFFFAOYSA-N -1 1 335.310 2.147 20 0 EEADMM Cc1ccc([C@@H]2COCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)o1 ZINC000900740581 1234739290 /nfs/dbraw/zinc/73/92/90/1234739290.db2.gz BBJKXSXCXGUOKB-ZDUSSCGKSA-N -1 1 329.356 2.175 20 0 EEADMM COC(=O)[C@@](C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000900761553 1234774091 /nfs/dbraw/zinc/77/40/91/1234774091.db2.gz SNYLGJTXZBFXAM-SFHVURJKSA-N -1 1 329.352 2.323 20 0 EEADMM Cc1cc(C)nc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000801103903 1235079378 /nfs/dbraw/zinc/07/93/78/1235079378.db2.gz UMDNCUHCCOEWAR-UHFFFAOYSA-N -1 1 343.349 2.229 20 0 EEADMM O=C(Nc1ccccc1O[C@H]1CCOC1)c1cnc(C2CC2)[n-]c1=O ZINC000901054416 1235166900 /nfs/dbraw/zinc/16/69/00/1235166900.db2.gz QFPIESPFENHIRG-LBPRGKRZSA-N -1 1 341.367 2.480 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCn2c(Br)cnc2C1 ZINC000801239953 1235271277 /nfs/dbraw/zinc/27/12/77/1235271277.db2.gz NUISVOOCTJVYMQ-UHFFFAOYSA-N -1 1 340.152 2.146 20 0 EEADMM O=C(NC[C@@H]1CN(C/C=C\Cl)CCC1(F)F)c1ncccc1[O-] ZINC001046932741 1235323333 /nfs/dbraw/zinc/32/33/33/1235323333.db2.gz SKGCAPYCVFVKSG-SRMRHOMVSA-N -1 1 345.777 2.227 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3nccc(C)n3)n2)cc1 ZINC000801364765 1235460220 /nfs/dbraw/zinc/46/02/20/1235460220.db2.gz FEIBNFJGLUKMFP-UHFFFAOYSA-N -1 1 340.339 2.042 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OC[C@@H]3CC[C@@H](C)O3)n2)cc1 ZINC000801364684 1235460747 /nfs/dbraw/zinc/46/07/47/1235460747.db2.gz BWMBIEYRPMBSQG-RISCZKNCSA-N -1 1 332.356 2.311 20 0 EEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCC(=O)[C@H]3CCCOC3)n2)cc1 ZINC000801369648 1235465268 /nfs/dbraw/zinc/46/52/68/1235465268.db2.gz UTCVETMIAHKDJZ-ZDUSSCGKSA-N -1 1 344.367 2.039 20 0 EEADMM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000901626236 1236067324 /nfs/dbraw/zinc/06/73/24/1236067324.db2.gz YKBCJMUNBGESMY-MBOZVWFJSA-N -1 1 344.455 2.435 20 0 EEADMM Cc1cc(C)c(CN(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000901626767 1236067977 /nfs/dbraw/zinc/06/79/77/1236067977.db2.gz NVPIOTMGHDMKLG-INIZCTEOSA-N -1 1 332.444 2.367 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CCNc1ncccn1 ZINC001047724146 1236463916 /nfs/dbraw/zinc/46/39/16/1236463916.db2.gz ZWSIJZSWMRHTQS-UONOGXRCSA-N -1 1 341.415 2.320 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1nc2ccc(C)cc2[nH]1 ZINC000902259568 1237301363 /nfs/dbraw/zinc/30/13/63/1237301363.db2.gz KFDXIKIHLCBWHK-UHFFFAOYSA-N -1 1 341.415 2.449 20 0 EEADMM Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4O)C[C@H]3C2)oc1C ZINC001048686997 1238293077 /nfs/dbraw/zinc/29/30/77/1238293077.db2.gz WSGSZBQYUQKEEG-GASCZTMLSA-N -1 1 341.411 2.201 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC000827059797 1249683183 /nfs/dbraw/zinc/68/31/83/1249683183.db2.gz OKZPUDGHOFJEMP-GFCCVEGCSA-N -1 1 332.429 2.240 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056278362 1239124407 /nfs/dbraw/zinc/12/44/07/1239124407.db2.gz GHMNIZLTSHLNNB-KUYFCZACSA-N -1 1 343.427 2.349 20 0 EEADMM CC(C)CCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001056358270 1239254671 /nfs/dbraw/zinc/25/46/71/1239254671.db2.gz ZFIAIRGKSDJCBD-GJZGRUSLSA-N -1 1 345.443 2.429 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001000370040 1240218394 /nfs/dbraw/zinc/21/83/94/1240218394.db2.gz PETPAJOUFUTAGS-HIFRSBDPSA-N -1 1 349.479 2.197 20 0 EEADMM COc1c(F)cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1F ZINC000903620232 1241206678 /nfs/dbraw/zinc/20/66/78/1241206678.db2.gz ISOZYYNCVUFYKQ-UHFFFAOYSA-N -1 1 344.343 2.160 20 0 EEADMM CC1=C(C)C[C@@](C)(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001001039798 1241502199 /nfs/dbraw/zinc/50/21/99/1241502199.db2.gz RBGJZQWFYOXEOU-KSSFIOAISA-N -1 1 347.463 2.118 20 0 EEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000903711512 1241675832 /nfs/dbraw/zinc/67/58/32/1241675832.db2.gz AZQCXALSNCNWCS-LBPRGKRZSA-N -1 1 342.823 2.399 20 0 EEADMM CC(C)c1nccc(N2CCCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001057127208 1241905816 /nfs/dbraw/zinc/90/58/16/1241905816.db2.gz INGYQCGMLDCUBU-UHFFFAOYSA-N -1 1 341.415 2.053 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001542751 1242457851 /nfs/dbraw/zinc/45/78/51/1242457851.db2.gz YIQKXJCRJOKATR-CABCVRRESA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001545379 1242459268 /nfs/dbraw/zinc/45/92/68/1242459268.db2.gz OZAZTFBRZCUBDE-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2OCCN1C[C@H](O)c1cccc(F)c1 ZINC000903927623 1242529259 /nfs/dbraw/zinc/52/92/59/1242529259.db2.gz KKQPXDYHZAUOJT-DOTOQJQBSA-N -1 1 331.343 2.379 20 0 EEADMM CCCC1(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001050531523 1243794910 /nfs/dbraw/zinc/79/49/10/1243794910.db2.gz SXZOUFPEUBMIHW-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000780344923 1246291587 /nfs/dbraw/zinc/29/15/87/1246291587.db2.gz YIRDBUXKOCLKIB-GUYCJALGSA-N -1 1 335.404 2.065 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc2n(n1)CCCC2 ZINC000827148561 1250267864 /nfs/dbraw/zinc/26/78/64/1250267864.db2.gz KPNBHCLKJJNBMJ-UHFFFAOYSA-N -1 1 337.177 2.335 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052421873 1247244895 /nfs/dbraw/zinc/24/48/95/1247244895.db2.gz NYLFVPXJAIAARH-ZIAGYGMSSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)C1(C(=O)NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CC1 ZINC001052423392 1247247877 /nfs/dbraw/zinc/24/78/77/1247247877.db2.gz WEBVHQOIUXQRPK-KGLIPLIRSA-N -1 1 345.443 2.048 20 0 EEADMM CC(C)c1nccc(N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001058147422 1248540398 /nfs/dbraw/zinc/54/03/98/1248540398.db2.gz IIOVBBIMQHPBGF-ZDUSSCGKSA-N -1 1 341.415 2.099 20 0 EEADMM Cc1cnc(C)nc1NC[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001068321780 1250794355 /nfs/dbraw/zinc/79/43/55/1250794355.db2.gz MTBWIKWZYUXPTO-OCCSQVGLSA-N -1 1 341.415 2.157 20 0 EEADMM C[C@@H]1C[C@@H](Nc2ccnc(C3CC3)n2)CN1C(=O)c1ncccc1[O-] ZINC001069062500 1252163959 /nfs/dbraw/zinc/16/39/59/1252163959.db2.gz IESYGFPGMFEVMM-DGCLKSJQSA-N -1 1 339.399 2.170 20 0 EEADMM CCCc1nsc(NC2CC(N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001069731798 1253200186 /nfs/dbraw/zinc/20/01/86/1253200186.db2.gz XLGSBJDAGSBDFZ-UHFFFAOYSA-N -1 1 347.444 2.306 20 0 EEADMM CC/C=C(/C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001074867310 1257179494 /nfs/dbraw/zinc/17/94/94/1257179494.db2.gz XUGHGIKEVMEBFA-NGPFNDBQSA-N -1 1 331.416 2.253 20 0 EEADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)N2 ZINC001185688031 1278741394 /nfs/dbraw/zinc/74/13/94/1278741394.db2.gz QATHGNOAHQBHEC-CYBMUJFWSA-N -1 1 337.788 2.015 20 0 EEADMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185991731 1278881166 /nfs/dbraw/zinc/88/11/66/1278881166.db2.gz ZENFCALNWJGLDD-UHFFFAOYSA-N -1 1 349.343 2.289 20 0 EEADMM O=c1ccc2cc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)ccc2o1 ZINC001186000681 1278902651 /nfs/dbraw/zinc/90/26/51/1278902651.db2.gz PLCQHYPOMOEURW-UHFFFAOYSA-N -1 1 341.348 2.470 20 0 EEADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)cc21 ZINC001185998674 1278918591 /nfs/dbraw/zinc/91/85/91/1278918591.db2.gz BRIWBUGINMQMAZ-UHFFFAOYSA-N -1 1 328.397 2.356 20 0 EEADMM O=C(NCC[N-]C(=O)C(F)(F)F)N[C@H]1CCCc2ccccc21 ZINC001186470454 1279106303 /nfs/dbraw/zinc/10/63/03/1279106303.db2.gz UKBFIMXPPJCQAN-LBPRGKRZSA-N -1 1 329.322 2.042 20 0 EEADMM CC(C)(C)OC(=O)NC(C)(C)CC[N-]S(=O)(=O)c1nccs1 ZINC001187913234 1279697766 /nfs/dbraw/zinc/69/77/66/1279697766.db2.gz URTMRGOFXZNABE-UHFFFAOYSA-N -1 1 349.478 2.115 20 0 EEADMM O=S(=O)([N-]C1(c2ccccc2F)CCOCC1)c1nccs1 ZINC001187919090 1279706851 /nfs/dbraw/zinc/70/68/51/1279706851.db2.gz VXLNHOPQNDQPMC-UHFFFAOYSA-N -1 1 342.417 2.266 20 0 EEADMM C[C@H](O)C[N-]S(=O)(=O)c1c2oc(C(C)(C)C)nc2ccc1Cl ZINC001188167565 1279783323 /nfs/dbraw/zinc/78/33/23/1279783323.db2.gz LSRLTLVRGOYIGH-QMMMGPOBSA-N -1 1 346.836 2.438 20 0 EEADMM CN1CCN(c2ncccc2Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001203286608 1280589735 /nfs/dbraw/zinc/58/97/35/1280589735.db2.gz WCZZSOFOHYXVFQ-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM COc1cc([O-])c(C(=O)N(C(=N)N)c2ccccc2F)c(OC)c1 ZINC001190146593 1280681751 /nfs/dbraw/zinc/68/17/51/1280681751.db2.gz ZRSCCTPWESKEAH-UHFFFAOYSA-N -1 1 333.319 2.089 20 0 EEADMM C[C@@H]1CC[C@@H](CO)CN1C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190261667 1280762974 /nfs/dbraw/zinc/76/29/74/1280762974.db2.gz XJSYJRFIGCIKJZ-CHWSQXEVSA-N -1 1 327.384 2.082 20 0 EEADMM O=S(=O)([N-][C@H]1CCOC[C@H]1F)c1cc(C(F)(F)F)ccc1F ZINC001190339926 1280825867 /nfs/dbraw/zinc/82/58/67/1280825867.db2.gz 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LLEVMQLXAQZJKZ-GFCCVEGCSA-N -1 1 345.786 2.428 20 0 EEADMM O=C([O-])C1(CCCCNS(=O)(=O)c2ccccc2O)CCC1 ZINC001608569277 1351717940 /nfs/dbraw/zinc/71/79/40/1351717940.db2.gz ASKUMKRIGCOPMY-UHFFFAOYSA-N -1 1 327.402 2.096 20 0 EEADMM Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001311066373 1331747994 /nfs/dbraw/zinc/74/79/94/1331747994.db2.gz MHENDYILQBDNNB-UHFFFAOYSA-N -1 1 340.387 2.250 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC001608694610 1351743312 /nfs/dbraw/zinc/74/33/12/1351743312.db2.gz LVLTZSXQOMYYIL-ZBFHGGJFSA-N -1 1 334.391 2.428 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(Cc3nn[nH]n3)CC2)c1Cl ZINC001608930731 1351797138 /nfs/dbraw/zinc/79/71/38/1351797138.db2.gz YOLPOYSMJFHHMK-UHFFFAOYSA-N -1 1 335.795 2.006 20 0 EEADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cnc4c(cnn4C)c3)cc21 ZINC001321689132 1333143813 /nfs/dbraw/zinc/14/38/13/1333143813.db2.gz IFRSWXRITJLAOP-UHFFFAOYSA-N -1 1 341.396 2.261 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Nc1ccccc1 ZINC001609087001 1351836599 /nfs/dbraw/zinc/83/65/99/1351836599.db2.gz IZSDPRMYLFVXMP-ZDUSSCGKSA-N -1 1 340.387 2.326 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Nc1ccccc1 ZINC001609087001 1351836604 /nfs/dbraw/zinc/83/66/04/1351836604.db2.gz IZSDPRMYLFVXMP-ZDUSSCGKSA-N -1 1 340.387 2.326 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001609088114 1351836777 /nfs/dbraw/zinc/83/67/77/1351836777.db2.gz KUFRCBIBTGAQGO-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001609088114 1351836780 /nfs/dbraw/zinc/83/67/80/1351836780.db2.gz KUFRCBIBTGAQGO-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM O=C(COc1nc(Cc2ccc(F)cc2)no1)c1ccc([O-])cc1O ZINC001322770692 1333323046 /nfs/dbraw/zinc/32/30/46/1333323046.db2.gz GVAFNFUFYHWLMF-UHFFFAOYSA-N -1 1 344.298 2.472 20 0 EEADMM CC(C)c1ncc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001609106145 1351845843 /nfs/dbraw/zinc/84/58/43/1351845843.db2.gz NOSOQZGRHJXUCR-UHFFFAOYSA-N -1 1 343.416 2.114 20 0 EEADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609115949 1351850058 /nfs/dbraw/zinc/85/00/58/1351850058.db2.gz RAYZBMYRPPWDTJ-SNVBAGLBSA-N -1 1 341.346 2.072 20 0 EEADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609115949 1351850062 /nfs/dbraw/zinc/85/00/62/1351850062.db2.gz RAYZBMYRPPWDTJ-SNVBAGLBSA-N -1 1 341.346 2.072 20 0 EEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC001609133165 1351855441 /nfs/dbraw/zinc/85/54/41/1351855441.db2.gz VHKGHNUXNPQGCP-SECBINFHSA-N -1 1 343.368 2.112 20 0 EEADMM C[C@]12CCN(Cc3nc(-c4nnn[n-]4)cs3)C[C@H]1C2(Cl)Cl ZINC001609151981 1351864741 /nfs/dbraw/zinc/86/47/41/1351864741.db2.gz RZPYAXYEPQGOKM-KCJUWKMLSA-N -1 1 345.259 2.339 20 0 EEADMM C[C@]12CCN(Cc3nc(-c4nn[n-]n4)cs3)C[C@H]1C2(Cl)Cl ZINC001609151981 1351864746 /nfs/dbraw/zinc/86/47/46/1351864746.db2.gz RZPYAXYEPQGOKM-KCJUWKMLSA-N -1 1 345.259 2.339 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609154989 1351866461 /nfs/dbraw/zinc/86/64/61/1351866461.db2.gz KJLMEDXLWDPKDU-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609154989 1351866465 /nfs/dbraw/zinc/86/64/65/1351866465.db2.gz KJLMEDXLWDPKDU-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609180353 1351878645 /nfs/dbraw/zinc/87/86/45/1351878645.db2.gz LUNFCNHGTSSQNA-SNVBAGLBSA-N -1 1 328.401 2.279 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609180353 1351878648 /nfs/dbraw/zinc/87/86/48/1351878648.db2.gz LUNFCNHGTSSQNA-SNVBAGLBSA-N -1 1 328.401 2.279 20 0 EEADMM O=S(=O)([N-][C@@H](CO)CC1CCC1)c1cnc(Cl)cc1Cl ZINC001326073560 1334022919 /nfs/dbraw/zinc/02/29/19/1334022919.db2.gz BGQKSQSRELCCAR-SECBINFHSA-N -1 1 339.244 2.218 20 0 EEADMM CCC[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccccn1 ZINC001609203965 1351889838 /nfs/dbraw/zinc/88/98/38/1351889838.db2.gz LHUHIZNIVYRXKF-ZDUSSCGKSA-N -1 1 338.371 2.284 20 0 EEADMM CCC[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccccn1 ZINC001609203965 1351889840 /nfs/dbraw/zinc/88/98/40/1351889840.db2.gz LHUHIZNIVYRXKF-ZDUSSCGKSA-N -1 1 338.371 2.284 20 0 EEADMM CCCCn1nc(C)c(CNc2n[nH]cc2-c2nnn[n-]2)c1Cl ZINC001609211492 1351894005 /nfs/dbraw/zinc/89/40/05/1351894005.db2.gz IVUPXYPKUIUFRL-UHFFFAOYSA-N -1 1 335.803 2.160 20 0 EEADMM CCCCn1nc(C)c(CNc2n[nH]cc2-c2nn[n-]n2)c1Cl ZINC001609211492 1351894010 /nfs/dbraw/zinc/89/40/10/1351894010.db2.gz IVUPXYPKUIUFRL-UHFFFAOYSA-N -1 1 335.803 2.160 20 0 EEADMM CCOC(=O)c1cnn(CC[C@@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609235852 1351903933 /nfs/dbraw/zinc/90/39/33/1351903933.db2.gz CWVVSSMGJZSLMK-NEPJUHHUSA-N -1 1 332.408 2.456 20 0 EEADMM CCc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1CC ZINC001609252380 1351910183 /nfs/dbraw/zinc/91/01/83/1351910183.db2.gz UILGPHXDLLWRFT-UHFFFAOYSA-N -1 1 325.376 2.275 20 0 EEADMM CCc1cnc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)s1 ZINC001609253908 1351910997 /nfs/dbraw/zinc/91/09/97/1351910997.db2.gz YJMVSYMRRIEGFH-ALCCZGGFSA-N -1 1 329.389 2.250 20 0 EEADMM CNc1nc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cs1 ZINC001609291881 1351923546 /nfs/dbraw/zinc/92/35/46/1351923546.db2.gz FSWVUAYZBNECDO-UHFFFAOYSA-N -1 1 328.814 2.087 20 0 EEADMM COC(=O)Nc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC001609300650 1351924123 /nfs/dbraw/zinc/92/41/23/1351924123.db2.gz BCGQZSZSHZHXHA-UHFFFAOYSA-N -1 1 343.322 2.191 20 0 EEADMM COC(=O)Nc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC001609300650 1351924128 /nfs/dbraw/zinc/92/41/28/1351924128.db2.gz BCGQZSZSHZHXHA-UHFFFAOYSA-N -1 1 343.322 2.191 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609311656 1351928808 /nfs/dbraw/zinc/92/88/08/1351928808.db2.gz ZWCILJDRYDGTGW-MEDUHNTESA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609311656 1351928812 /nfs/dbraw/zinc/92/88/12/1351928812.db2.gz ZWCILJDRYDGTGW-MEDUHNTESA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313642 1351929894 /nfs/dbraw/zinc/92/98/94/1351929894.db2.gz OWHQONVUVUTPML-RNFRBKRXSA-N -1 1 326.813 2.346 20 0 EEADMM CO[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313642 1351929895 /nfs/dbraw/zinc/92/98/95/1351929895.db2.gz OWHQONVUVUTPML-RNFRBKRXSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CC1(Cl)Cl ZINC001330693193 1334887769 /nfs/dbraw/zinc/88/77/69/1334887769.db2.gz ACHHYVKJZMVMBO-LLVKDONJSA-N -1 1 331.228 2.332 20 0 EEADMM Cc1cc(N(C)C[C@@H]2OCCc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001609404222 1351963443 /nfs/dbraw/zinc/96/34/43/1351963443.db2.gz JYNSXRPRTRETTC-KRWDZBQOSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(N(C)C[C@@H]2OCCc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001609404222 1351963444 /nfs/dbraw/zinc/96/34/44/1351963444.db2.gz JYNSXRPRTRETTC-KRWDZBQOSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1ccc(CN(CC2CC2)C(=O)c2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001609423521 1351971125 /nfs/dbraw/zinc/97/11/25/1351971125.db2.gz WCEQNXZWTFJODK-UHFFFAOYSA-N -1 1 349.398 2.018 20 0 EEADMM Cc1ccc(CN(CC2CC2)C(=O)c2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001609423521 1351971128 /nfs/dbraw/zinc/97/11/28/1351971128.db2.gz WCEQNXZWTFJODK-UHFFFAOYSA-N -1 1 349.398 2.018 20 0 EEADMM Cc1cccn2cc(Cc3noc(-c4ccc(-c5nn[n-]n5)o4)n3)nc12 ZINC001609436657 1351975804 /nfs/dbraw/zinc/97/58/04/1351975804.db2.gz FSFKIURMEYPNOD-UHFFFAOYSA-N -1 1 348.326 2.057 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](C)Oc1ccccc1C ZINC001609437185 1351977136 /nfs/dbraw/zinc/97/71/36/1351977136.db2.gz QAZJTYMTQBIWGB-LLVKDONJSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](C)Oc1ccccc1C ZINC001609437185 1351977139 /nfs/dbraw/zinc/97/71/39/1351977139.db2.gz QAZJTYMTQBIWGB-LLVKDONJSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001609430970 1351974573 /nfs/dbraw/zinc/97/45/73/1351974573.db2.gz HLINDOXONBASLR-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001609430970 1351974574 /nfs/dbraw/zinc/97/45/74/1351974574.db2.gz HLINDOXONBASLR-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC001609468268 1351988806 /nfs/dbraw/zinc/98/88/06/1351988806.db2.gz MWSVEKCVECGBQO-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC001609468268 1351988807 /nfs/dbraw/zinc/98/88/07/1351988807.db2.gz MWSVEKCVECGBQO-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001609473994 1351991157 /nfs/dbraw/zinc/99/11/57/1351991157.db2.gz ZOACHLBNPYDUTC-CYBMUJFWSA-N -1 1 341.806 2.028 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001609473994 1351991159 /nfs/dbraw/zinc/99/11/59/1351991159.db2.gz ZOACHLBNPYDUTC-CYBMUJFWSA-N -1 1 341.806 2.028 20 0 EEADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547912 1352012846 /nfs/dbraw/zinc/01/28/46/1352012846.db2.gz ZYATZSSUIIIYGW-BXUZGUMPSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547912 1352012850 /nfs/dbraw/zinc/01/28/50/1352012850.db2.gz ZYATZSSUIIIYGW-BXUZGUMPSA-N -1 1 347.394 2.067 20 0 EEADMM Cc1cnc(CNC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])o1 ZINC001332474072 1335831747 /nfs/dbraw/zinc/83/17/47/1335831747.db2.gz XGGIHHRZKWQJIZ-SNVBAGLBSA-N -1 1 328.290 2.433 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001609583407 1352026559 /nfs/dbraw/zinc/02/65/59/1352026559.db2.gz XBEVZBUZEUOBPS-VIFPVBQESA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC001609583407 1352026567 /nfs/dbraw/zinc/02/65/67/1352026567.db2.gz XBEVZBUZEUOBPS-VIFPVBQESA-N -1 1 340.309 2.066 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc2ncccc2c1 ZINC001609577342 1352023352 /nfs/dbraw/zinc/02/33/52/1352023352.db2.gz IGNRXJXIBILRJD-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc2ncccc2c1 ZINC001609577342 1352023360 /nfs/dbraw/zinc/02/33/60/1352023360.db2.gz IGNRXJXIBILRJD-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM c1nn(-c2ccccc2)cc1[C@@H]1C[C@H]1Nc1cccnc1-c1nnn[n-]1 ZINC001609616406 1352039516 /nfs/dbraw/zinc/03/95/16/1352039516.db2.gz JCJDMUFWIBSTBC-GOEBONIOSA-N -1 1 344.382 2.415 20 0 EEADMM c1nn(-c2ccccc2)cc1[C@@H]1C[C@H]1Nc1cccnc1-c1nn[n-]n1 ZINC001609616406 1352039517 /nfs/dbraw/zinc/03/95/17/1352039517.db2.gz JCJDMUFWIBSTBC-GOEBONIOSA-N -1 1 344.382 2.415 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1nccnc1-c1nnn[n-]1)CS2 ZINC001609618905 1352042211 /nfs/dbraw/zinc/04/22/11/1352042211.db2.gz WPBMNZDFSOQVES-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1nccnc1-c1nn[n-]n1)CS2 ZINC001609618905 1352042212 /nfs/dbraw/zinc/04/22/12/1352042212.db2.gz WPBMNZDFSOQVES-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC=C(c2ccccc2)C1 ZINC001609632142 1352046166 /nfs/dbraw/zinc/04/61/66/1352046166.db2.gz CZWASGLOLXQJOT-OAHLLOKOSA-N -1 1 342.439 2.487 20 0 EEADMM C[C@@H](C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609642860 1352048718 /nfs/dbraw/zinc/04/87/18/1352048718.db2.gz FYDMWRPGFNLAOB-GMSGAONNSA-N -1 1 330.262 2.252 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCCN(CC(F)F)CC2)cc1)C(=O)[O-] ZINC001609802953 1352089105 /nfs/dbraw/zinc/08/91/05/1352089105.db2.gz NAUCYVJBVJWMPF-CYBMUJFWSA-N -1 1 342.386 2.311 20 0 EEADMM Cn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1ccc(F)cc1)CC1CC1 ZINC001338318971 1336839454 /nfs/dbraw/zinc/83/94/54/1336839454.db2.gz OUCCEDZZDDCESM-UHFFFAOYSA-N -1 1 342.378 2.467 20 0 EEADMM COc1ccc(Cl)cc1CN(C)c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001339835848 1337081943 /nfs/dbraw/zinc/08/19/43/1337081943.db2.gz DFQJSGALWWNBRP-UHFFFAOYSA-N -1 1 348.794 2.209 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC001347663365 1337517991 /nfs/dbraw/zinc/51/79/91/1337517991.db2.gz UPXPUYMXPZCHGJ-NSHDSACASA-N -1 1 336.244 2.483 20 0 EEADMM CNC(=O)CCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001610138845 1352171115 /nfs/dbraw/zinc/17/11/15/1352171115.db2.gz INXLWYPSDBXYCJ-UHFFFAOYSA-N -1 1 347.440 2.466 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1nc2ccccc2s1 ZINC001100070920 1337978421 /nfs/dbraw/zinc/97/84/21/1337978421.db2.gz JAFOZTMMIVPYKC-UHFFFAOYSA-N -1 1 328.397 2.263 20 0 EEADMM CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610226124 1352190264 /nfs/dbraw/zinc/19/02/64/1352190264.db2.gz LHGYXODKCQHJIC-SNVBAGLBSA-N -1 1 336.369 2.288 20 0 EEADMM CCO/C=C/[C@@](O)(CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000848177649 1338554146 /nfs/dbraw/zinc/55/41/46/1338554146.db2.gz JHFMQLVWXJGIMZ-KTRBRXNASA-N -1 1 337.269 2.105 20 0 EEADMM COc1nc(Cl)c(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1C ZINC001610369460 1352212316 /nfs/dbraw/zinc/21/23/16/1352212316.db2.gz URPNZZJSYYJNPI-QGZVFWFLSA-N -1 1 349.818 2.310 20 0 EEADMM C[C@H](CC1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001610393367 1352215321 /nfs/dbraw/zinc/21/53/21/1352215321.db2.gz AIJDKRPTTJMWEK-HIFRSBDPSA-N -1 1 325.453 2.003 20 0 EEADMM Cc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC001610438752 1352222363 /nfs/dbraw/zinc/22/23/63/1352222363.db2.gz RISYSDLGZVGVQF-UHFFFAOYSA-N -1 1 332.360 2.261 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]c(C(C)C)n2)cc(C)c1OCC(=O)[O-] ZINC001610438752 1352222366 /nfs/dbraw/zinc/22/23/66/1352222366.db2.gz RISYSDLGZVGVQF-UHFFFAOYSA-N -1 1 332.360 2.261 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@](C)(CC(=O)[O-])c3ccccn3)c2[nH]1 ZINC001610558929 1352244613 /nfs/dbraw/zinc/24/46/13/1352244613.db2.gz NLJJUWRIQSUOQH-GOSISDBHSA-N -1 1 338.367 2.386 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cnc4ccccc4n3)[nH]c21 ZINC001610712513 1352263413 /nfs/dbraw/zinc/26/34/13/1352263413.db2.gz DHUBKVDKCUUKHD-UHFFFAOYSA-N -1 1 333.307 2.457 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1cnn[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001610753359 1352269062 /nfs/dbraw/zinc/26/90/62/1352269062.db2.gz VIIMFTOXBDZNOD-OAHLLOKOSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(OCCCO)CC2)c1Cl ZINC001610846147 1352284875 /nfs/dbraw/zinc/28/48/75/1352284875.db2.gz QJYNWJWIWMFXGP-UHFFFAOYSA-N -1 1 327.808 2.402 20 0 EEADMM CC(C)NC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000032597090 1352315050 /nfs/dbraw/zinc/31/50/50/1352315050.db2.gz OPHPLNFCYMPVDU-UHFFFAOYSA-N -1 1 343.408 2.497 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1cccs1)NC(=O)c1ncccc1[O-] ZINC001431201414 1340499866 /nfs/dbraw/zinc/49/98/66/1340499866.db2.gz PXNPCMSZEPABNT-LLVKDONJSA-N -1 1 333.413 2.033 20 0 EEADMM O=C(COC(=O)c1cc(=O)c2ccccc2o1)c1ccc([O-])cc1O ZINC000018267026 1352358182 /nfs/dbraw/zinc/35/81/82/1352358182.db2.gz VRJWBCQZPQNAEZ-UHFFFAOYSA-N -1 1 340.287 2.244 20 0 EEADMM N#CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000018895451 1352358817 /nfs/dbraw/zinc/35/88/17/1352358817.db2.gz RPCWDVKEZKHHFX-UHFFFAOYSA-N -1 1 333.325 2.298 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(F)CCCCC1 ZINC001432658007 1341355128 /nfs/dbraw/zinc/35/51/28/1341355128.db2.gz XKFGXXAGZBEBPA-LBPRGKRZSA-N -1 1 337.395 2.084 20 0 EEADMM CCC[C@H](CC)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433088678 1341494888 /nfs/dbraw/zinc/49/48/88/1341494888.db2.gz IFQHVRCIYGDYIM-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM CCn1cc(C(=O)NCc2cc(=O)[n-]c(SC)n2)c(C(C)C)n1 ZINC001434121809 1341769222 /nfs/dbraw/zinc/76/92/22/1341769222.db2.gz MREGENJKRHDCSK-UHFFFAOYSA-N -1 1 335.433 2.174 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC1CCC1 ZINC001434828423 1341954123 /nfs/dbraw/zinc/95/41/23/1341954123.db2.gz JCNNWFLDSZBXQM-JQWIXIFHSA-N -1 1 335.370 2.418 20 0 EEADMM C[C@H](c1ccccc1F)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434857404 1341970031 /nfs/dbraw/zinc/97/00/31/1341970031.db2.gz MYOHEBMZWVFTMJ-CYBMUJFWSA-N -1 1 329.375 2.445 20 0 EEADMM CC1(C)[C@@H](c2cccc(F)c2)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001573655599 1343649523 /nfs/dbraw/zinc/64/95/23/1343649523.db2.gz IIHGKXWAFBDBSP-HUUCEWRRSA-N -1 1 334.391 2.079 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001576926996 1344076209 /nfs/dbraw/zinc/07/62/09/1344076209.db2.gz UULGONMVSRHVEI-CYBMUJFWSA-N -1 1 340.362 2.152 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001576926996 1344076214 /nfs/dbraw/zinc/07/62/14/1344076214.db2.gz UULGONMVSRHVEI-CYBMUJFWSA-N -1 1 340.362 2.152 20 0 EEADMM CCN(CCNc1snc(C)c1-c1nn[n-]n1)C(=O)C1(C)CCC1 ZINC001578168146 1344244354 /nfs/dbraw/zinc/24/43/54/1344244354.db2.gz XEPBDVVHCXFFCQ-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580033835 1344452928 /nfs/dbraw/zinc/45/29/28/1344452928.db2.gz FQNQXVLBUPIGRQ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM Cc1cccc(CC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001581238670 1344604254 /nfs/dbraw/zinc/60/42/54/1344604254.db2.gz LLODFWDZQNCKEG-UHFFFAOYSA-N -1 1 348.819 2.144 20 0 EEADMM Cc1cccc(CC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1Cl ZINC001581238670 1344604259 /nfs/dbraw/zinc/60/42/59/1344604259.db2.gz LLODFWDZQNCKEG-UHFFFAOYSA-N -1 1 348.819 2.144 20 0 EEADMM Cc1nc([C@@H]2CCCN2C(=O)c2csc(-c3nn[n-]n3)c2)[nH]c1C ZINC001581446077 1344627242 /nfs/dbraw/zinc/62/72/42/1344627242.db2.gz OOOMFEXFPLPUDQ-NSHDSACASA-N -1 1 343.416 2.245 20 0 EEADMM Cc1nsc(NC2(CNC(=O)C(C)C)CCCC2)c1-c1nn[n-]n1 ZINC001581695747 1344654957 /nfs/dbraw/zinc/65/49/57/1344654957.db2.gz SOKBCVBTYBKIKO-UHFFFAOYSA-N -1 1 349.464 2.129 20 0 EEADMM O=C(N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cccc([O-])c1F ZINC001582328120 1344732542 /nfs/dbraw/zinc/73/25/42/1344732542.db2.gz LXAMAAXAWXHCTP-CYBMUJFWSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1coc(-c2nnn[n-]2)c1 ZINC001582583857 1344766118 /nfs/dbraw/zinc/76/61/18/1344766118.db2.gz OWZIUEOWRWPWCL-LDYMZIIASA-N -1 1 331.282 2.024 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1coc(-c2nn[n-]n2)c1 ZINC001582583857 1344766121 /nfs/dbraw/zinc/76/61/21/1344766121.db2.gz OWZIUEOWRWPWCL-LDYMZIIASA-N -1 1 331.282 2.024 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CC(c2cccnc2)=NO1 ZINC001586211617 1348847477 /nfs/dbraw/zinc/84/74/77/1348847477.db2.gz UMHAZQGKRNFHQP-INIZCTEOSA-N -1 1 349.350 2.105 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589148768 1348965581 /nfs/dbraw/zinc/96/55/81/1348965581.db2.gz OGVBTFMAAUIKTR-GFCCVEGCSA-N -1 1 344.419 2.352 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589148768 1348965582 /nfs/dbraw/zinc/96/55/82/1348965582.db2.gz OGVBTFMAAUIKTR-GFCCVEGCSA-N -1 1 344.419 2.352 20 0 EEADMM CC(C)(C)OC(=O)CCSCc1nc(-c2nnn[n-]2)cs1 ZINC001589156040 1348966420 /nfs/dbraw/zinc/96/64/20/1348966420.db2.gz MYHDEKJBLUYKJM-UHFFFAOYSA-N -1 1 327.435 2.288 20 0 EEADMM CC(C)(C)OC(=O)CCSCc1nc(-c2nn[n-]n2)cs1 ZINC001589156040 1348966423 /nfs/dbraw/zinc/96/64/23/1348966423.db2.gz MYHDEKJBLUYKJM-UHFFFAOYSA-N -1 1 327.435 2.288 20 0 EEADMM CC(C)Oc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589753889 1349030650 /nfs/dbraw/zinc/03/06/50/1349030650.db2.gz IKJRHGSMUPEPLS-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)c1nsc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001589779918 1349038682 /nfs/dbraw/zinc/03/86/82/1349038682.db2.gz WECPWFJFFGPCAQ-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM C[C@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001589794625 1349044091 /nfs/dbraw/zinc/04/40/91/1349044091.db2.gz PIBOALLMDRFZLI-RNFRBKRXSA-N -1 1 342.812 2.120 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589899580 1349057366 /nfs/dbraw/zinc/05/73/66/1349057366.db2.gz LKOFYRXIJVJONX-VIFPVBQESA-N -1 1 331.763 2.474 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589899580 1349057371 /nfs/dbraw/zinc/05/73/71/1349057371.db2.gz LKOFYRXIJVJONX-VIFPVBQESA-N -1 1 331.763 2.474 20 0 EEADMM C[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@@]12C[C@@H]1CCCC2 ZINC001589934162 1349068148 /nfs/dbraw/zinc/06/81/48/1349068148.db2.gz IAZLLWHVZZYNPH-AMJWSMQMSA-N -1 1 347.448 2.091 20 0 EEADMM C[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@@]12C[C@@H]1CCCC2 ZINC001589934162 1349068157 /nfs/dbraw/zinc/06/81/57/1349068157.db2.gz IAZLLWHVZZYNPH-AMJWSMQMSA-N -1 1 347.448 2.091 20 0 EEADMM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001589935933 1349070290 /nfs/dbraw/zinc/07/02/90/1349070290.db2.gz CBMIZCPWUMEXNV-MRVPVSSYSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001589935933 1349070296 /nfs/dbraw/zinc/07/02/96/1349070296.db2.gz CBMIZCPWUMEXNV-MRVPVSSYSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)C(=O)OCc1ccccc1 ZINC001589971589 1349085419 /nfs/dbraw/zinc/08/54/19/1349085419.db2.gz YDOOBPZAHIUCCL-NSHDSACASA-N -1 1 343.412 2.150 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1ccsc1 ZINC001589975016 1349089537 /nfs/dbraw/zinc/08/95/37/1349089537.db2.gz ASYHDBMFHZKELR-ZETCQYMHSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC001589985380 1349092851 /nfs/dbraw/zinc/09/28/51/1349092851.db2.gz HXRJSPDZEMPGDI-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC001589985380 1349092856 /nfs/dbraw/zinc/09/28/56/1349092856.db2.gz HXRJSPDZEMPGDI-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001590052211 1349131570 /nfs/dbraw/zinc/13/15/70/1349131570.db2.gz YCULPQFIXRIFCV-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001590052211 1349131573 /nfs/dbraw/zinc/13/15/73/1349131573.db2.gz YCULPQFIXRIFCV-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C)CCC[C@](O)(COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001590096123 1349152775 /nfs/dbraw/zinc/15/27/75/1349152775.db2.gz DVKJESOVFYAILE-OAHLLOKOSA-N -1 1 336.417 2.416 20 0 EEADMM C[C@H]1C(=O)CC[C@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001590163238 1349180641 /nfs/dbraw/zinc/18/06/41/1349180641.db2.gz HNDGVYIKCODXTC-DTWKUNHWSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@H]1C(=O)CC[C@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001590163238 1349180648 /nfs/dbraw/zinc/18/06/48/1349180648.db2.gz HNDGVYIKCODXTC-DTWKUNHWSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2c(O)cccc21 ZINC001590269849 1349240712 /nfs/dbraw/zinc/24/07/12/1349240712.db2.gz HPOJHYIUIYEDPN-VIFPVBQESA-N -1 1 325.328 2.319 20 0 EEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590407327 1349308827 /nfs/dbraw/zinc/30/88/27/1349308827.db2.gz ZQMROZUQPFRWDU-BDAKNGLRSA-N -1 1 329.451 2.031 20 0 EEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590407327 1349308830 /nfs/dbraw/zinc/30/88/30/1349308830.db2.gz ZQMROZUQPFRWDU-BDAKNGLRSA-N -1 1 329.451 2.031 20 0 EEADMM CC[C@@H](C)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590411430 1349312600 /nfs/dbraw/zinc/31/26/00/1349312600.db2.gz XYVRAOWWBADWSQ-SSDOTTSWSA-N -1 1 329.282 2.483 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001590431649 1349322012 /nfs/dbraw/zinc/32/20/12/1349322012.db2.gz MZIUMXIZUMUTOC-XJKSGUPXSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001590431649 1349322020 /nfs/dbraw/zinc/32/20/20/1349322020.db2.gz MZIUMXIZUMUTOC-XJKSGUPXSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)N(CC)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590434751 1349323743 /nfs/dbraw/zinc/32/37/43/1349323743.db2.gz DGRWHWOIMICPSR-UHFFFAOYSA-N -1 1 329.451 2.127 20 0 EEADMM CC[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)Oc1cccc(F)c1 ZINC001590445479 1349327578 /nfs/dbraw/zinc/32/75/78/1349327578.db2.gz BFBWQOCDZGZGLC-LBPRGKRZSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)Oc1cccc(F)c1 ZINC001590445479 1349327586 /nfs/dbraw/zinc/32/75/86/1349327586.db2.gz BFBWQOCDZGZGLC-LBPRGKRZSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590479076 1349350782 /nfs/dbraw/zinc/35/07/82/1349350782.db2.gz LYDOODQTGUGNBI-CQSZACIVSA-N -1 1 345.403 2.433 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590479076 1349350784 /nfs/dbraw/zinc/35/07/84/1349350784.db2.gz LYDOODQTGUGNBI-CQSZACIVSA-N -1 1 345.403 2.433 20 0 EEADMM CC[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511900 1349361812 /nfs/dbraw/zinc/36/18/12/1349361812.db2.gz OESWYXRZAVRVRG-WDEREUQCSA-N -1 1 339.421 2.049 20 0 EEADMM CCNc1nnc(Sc2snc(C)c2-c2nnn[n-]2)s1 ZINC001590748482 1349395590 /nfs/dbraw/zinc/39/55/90/1349395590.db2.gz HUCBNHMHGYNXIT-UHFFFAOYSA-N -1 1 326.436 2.066 20 0 EEADMM CCNc1nnc(Sc2snc(C)c2-c2nn[n-]n2)s1 ZINC001590748482 1349395596 /nfs/dbraw/zinc/39/55/96/1349395596.db2.gz HUCBNHMHGYNXIT-UHFFFAOYSA-N -1 1 326.436 2.066 20 0 EEADMM CCc1nc(Oc2ccc(C=O)c(F)c2F)cc(-c2nnn[n-]2)n1 ZINC001590925823 1349416196 /nfs/dbraw/zinc/41/61/96/1349416196.db2.gz ZUUONRPGFLBUMN-UHFFFAOYSA-N -1 1 332.270 2.102 20 0 EEADMM CCc1nc(Oc2ccc(C=O)c(F)c2F)cc(-c2nn[n-]n2)n1 ZINC001590925823 1349416197 /nfs/dbraw/zinc/41/61/97/1349416197.db2.gz ZUUONRPGFLBUMN-UHFFFAOYSA-N -1 1 332.270 2.102 20 0 EEADMM CN(C)c1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001591034840 1349433670 /nfs/dbraw/zinc/43/36/70/1349433670.db2.gz KKGFPCKUMKXRLD-UHFFFAOYSA-N -1 1 346.394 2.296 20 0 EEADMM CO[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC001591336178 1349464316 /nfs/dbraw/zinc/46/43/16/1349464316.db2.gz VIQVAKDISVXVGA-AWEZNQCLSA-N -1 1 331.376 2.014 20 0 EEADMM CO[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001591336178 1349464320 /nfs/dbraw/zinc/46/43/20/1349464320.db2.gz VIQVAKDISVXVGA-AWEZNQCLSA-N -1 1 331.376 2.014 20 0 EEADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001591354854 1349469374 /nfs/dbraw/zinc/46/93/74/1349469374.db2.gz LGIKGSLNDOEXOP-PWSUYJOCSA-N -1 1 331.376 2.106 20 0 EEADMM COC[C@@H]1CCCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591391918 1349480335 /nfs/dbraw/zinc/48/03/35/1349480335.db2.gz AFOLJUHKXNWPTE-MRVPVSSYSA-N -1 1 328.829 2.230 20 0 EEADMM Cc1cc(Br)ccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001591905651 1349555472 /nfs/dbraw/zinc/55/54/72/1349555472.db2.gz DEIMMFOGCUTNKS-UHFFFAOYSA-N -1 1 347.176 2.307 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001592224735 1349611731 /nfs/dbraw/zinc/61/17/31/1349611731.db2.gz CZDZTSJEUDCPQR-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1ccncc1[C@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592277556 1349616356 /nfs/dbraw/zinc/61/63/56/1349616356.db2.gz QHMSILLMGSEPPM-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM Cc1ccncc1[C@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592277556 1349616359 /nfs/dbraw/zinc/61/63/59/1349616359.db2.gz QHMSILLMGSEPPM-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001592478295 1349635541 /nfs/dbraw/zinc/63/55/41/1349635541.db2.gz AOISDQUCMFVWNU-HYXAFXHYSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001592478295 1349635552 /nfs/dbraw/zinc/63/55/52/1349635552.db2.gz AOISDQUCMFVWNU-HYXAFXHYSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)COc2ccccc2)c1-c1nnn[n-]1 ZINC001592480139 1349635973 /nfs/dbraw/zinc/63/59/73/1349635973.db2.gz UMNXHJYKBGCNDK-VIFPVBQESA-N -1 1 344.400 2.285 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)COc2ccccc2)c1-c1nn[n-]n1 ZINC001592480139 1349635974 /nfs/dbraw/zinc/63/59/74/1349635974.db2.gz UMNXHJYKBGCNDK-VIFPVBQESA-N -1 1 344.400 2.285 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccccc2F)c1-c1nnn[n-]1 ZINC001592483102 1349636065 /nfs/dbraw/zinc/63/60/65/1349636065.db2.gz CMWLNBRWDKZNIW-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccccc2F)c1-c1nn[n-]n1 ZINC001592483102 1349636068 /nfs/dbraw/zinc/63/60/68/1349636068.db2.gz CMWLNBRWDKZNIW-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1nsc(NCC(=O)Nc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001592486288 1349636145 /nfs/dbraw/zinc/63/61/45/1349636145.db2.gz IPLMLOWPARVDNG-UHFFFAOYSA-N -1 1 349.807 2.336 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC001592501163 1349638090 /nfs/dbraw/zinc/63/80/90/1349638090.db2.gz DOXDLXYUJZWMGX-QMMMGPOBSA-N -1 1 344.202 2.472 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC001592501163 1349638091 /nfs/dbraw/zinc/63/80/91/1349638091.db2.gz DOXDLXYUJZWMGX-QMMMGPOBSA-N -1 1 344.202 2.472 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618712 1349674255 /nfs/dbraw/zinc/67/42/55/1349674255.db2.gz WCFHOCHCSLDMAS-MWLCHTKSSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618712 1349674256 /nfs/dbraw/zinc/67/42/56/1349674256.db2.gz WCFHOCHCSLDMAS-MWLCHTKSSA-N -1 1 340.309 2.260 20 0 EEADMM FCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCOCC1 ZINC001592632258 1349681740 /nfs/dbraw/zinc/68/17/40/1349681740.db2.gz UDBYKIDANKTRLN-UHFFFAOYSA-N -1 1 332.792 2.155 20 0 EEADMM FCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCOCC1 ZINC001592632258 1349681745 /nfs/dbraw/zinc/68/17/45/1349681745.db2.gz UDBYKIDANKTRLN-UHFFFAOYSA-N -1 1 332.792 2.155 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc(F)c1F ZINC001592643826 1349690017 /nfs/dbraw/zinc/69/00/17/1349690017.db2.gz BNBOBWGCNZBRTB-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc(F)c1F ZINC001592643826 1349690025 /nfs/dbraw/zinc/69/00/25/1349690025.db2.gz BNBOBWGCNZBRTB-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1cccc(F)c1Cc1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001592658071 1349702501 /nfs/dbraw/zinc/70/25/01/1349702501.db2.gz VEXALBXFNGRVAO-UHFFFAOYSA-N -1 1 330.254 2.379 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001592996039 1349732726 /nfs/dbraw/zinc/73/27/26/1349732726.db2.gz GKOVDEXLTBICGC-GFCCVEGCSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001592996039 1349732729 /nfs/dbraw/zinc/73/27/29/1349732729.db2.gz GKOVDEXLTBICGC-GFCCVEGCSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001593146603 1349742093 /nfs/dbraw/zinc/74/20/93/1349742093.db2.gz WDXUMJJSALMMLE-SHTZXODSSA-N -1 1 340.431 2.484 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001593146603 1349742095 /nfs/dbraw/zinc/74/20/95/1349742095.db2.gz WDXUMJJSALMMLE-SHTZXODSSA-N -1 1 340.431 2.484 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2ccc(=O)[nH]c21 ZINC001593203378 1349745715 /nfs/dbraw/zinc/74/57/15/1349745715.db2.gz NWQNGIZCOKLSMO-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c2cc(=O)ccc-2c1 ZINC001593203160 1349746372 /nfs/dbraw/zinc/74/63/72/1349746372.db2.gz IUDUAHSFCXFHTN-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM O=C(Nc1cc(F)cc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593210658 1349747335 /nfs/dbraw/zinc/74/73/35/1349747335.db2.gz YSFUOMBKMUKDHM-UHFFFAOYSA-N -1 1 339.233 2.453 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593254042 1349751796 /nfs/dbraw/zinc/75/17/96/1349751796.db2.gz NYNMXPIJOKSRBM-ACJLOTCBSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593254042 1349751799 /nfs/dbraw/zinc/75/17/99/1349751799.db2.gz NYNMXPIJOKSRBM-ACJLOTCBSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1cnc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593258361 1349752486 /nfs/dbraw/zinc/75/24/86/1349752486.db2.gz GRLXSUPBKAFVNY-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593301243 1349772751 /nfs/dbraw/zinc/77/27/51/1349772751.db2.gz SCYBZENWXHFIJL-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593301243 1349772756 /nfs/dbraw/zinc/77/27/56/1349772756.db2.gz SCYBZENWXHFIJL-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1coc(C2CCCC2)n1 ZINC001593302020 1349774292 /nfs/dbraw/zinc/77/42/92/1349774292.db2.gz KTHVDSVVNZQROM-UHFFFAOYSA-N -1 1 340.343 2.264 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1coc(C2CCCC2)n1 ZINC001593302020 1349774296 /nfs/dbraw/zinc/77/42/96/1349774296.db2.gz KTHVDSVVNZQROM-UHFFFAOYSA-N -1 1 340.343 2.264 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001593338116 1349784924 /nfs/dbraw/zinc/78/49/24/1349784924.db2.gz MCFTUWYTLORNOI-GFCCVEGCSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001593338116 1349784928 /nfs/dbraw/zinc/78/49/28/1349784928.db2.gz MCFTUWYTLORNOI-GFCCVEGCSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001593338815 1349784970 /nfs/dbraw/zinc/78/49/70/1349784970.db2.gz HCUCMWMXMSPLMF-MCIONIFRSA-N -1 1 335.367 2.335 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001593338815 1349784974 /nfs/dbraw/zinc/78/49/74/1349784974.db2.gz HCUCMWMXMSPLMF-MCIONIFRSA-N -1 1 335.367 2.335 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593347600 1349787281 /nfs/dbraw/zinc/78/72/81/1349787281.db2.gz BGOOZRUHQBXEQS-OAHLLOKOSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593347600 1349787283 /nfs/dbraw/zinc/78/72/83/1349787283.db2.gz BGOOZRUHQBXEQS-OAHLLOKOSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(C(F)(F)F)CC1 ZINC001593349409 1349788541 /nfs/dbraw/zinc/78/85/41/1349788541.db2.gz AROGPPQBFMEJFK-UHFFFAOYSA-N -1 1 343.284 2.420 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC001593349409 1349788544 /nfs/dbraw/zinc/78/85/44/1349788544.db2.gz AROGPPQBFMEJFK-UHFFFAOYSA-N -1 1 343.284 2.420 20 0 EEADMM O=c1ccn(-c2ccc(NCc3csc(-c4nn[nH]n4)c3)cc2)[n-]1 ZINC001593497271 1349820338 /nfs/dbraw/zinc/82/03/38/1349820338.db2.gz AXUKDKVSKAFZGE-UHFFFAOYSA-N -1 1 339.384 2.432 20 0 EEADMM O=c1ccn(-c2ccc(NCc3cc(-c4nn[nH]n4)cs3)cc2)[n-]1 ZINC001593497590 1349820572 /nfs/dbraw/zinc/82/05/72/1349820572.db2.gz LHYGVPLJAZERIX-UHFFFAOYSA-N -1 1 339.384 2.432 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543557 1349838172 /nfs/dbraw/zinc/83/81/72/1349838172.db2.gz SZMHZGXCPWNBCW-DOMZBBRYSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543557 1349838178 /nfs/dbraw/zinc/83/81/78/1349838178.db2.gz SZMHZGXCPWNBCW-DOMZBBRYSA-N -1 1 341.419 2.151 20 0 EEADMM c1cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc2c1CCC2 ZINC001593563921 1349850746 /nfs/dbraw/zinc/85/07/46/1349850746.db2.gz HJDHEHALBLIPCJ-UHFFFAOYSA-N -1 1 331.339 2.467 20 0 EEADMM c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc2c1CCC2 ZINC001593563921 1349850750 /nfs/dbraw/zinc/85/07/50/1349850750.db2.gz HJDHEHALBLIPCJ-UHFFFAOYSA-N -1 1 331.339 2.467 20 0 EEADMM c1ccc([C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CCOCC2)cc1 ZINC001593570729 1349855781 /nfs/dbraw/zinc/85/57/81/1349855781.db2.gz IEMZVSZXQKMRMO-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CCOCC2)cc1 ZINC001593570729 1349855785 /nfs/dbraw/zinc/85/57/85/1349855785.db2.gz IEMZVSZXQKMRMO-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)O[C@@H](CCNc1ccc(-c3nnn[n-]3)nn1)CS2 ZINC001593579927 1349860776 /nfs/dbraw/zinc/86/07/76/1349860776.db2.gz PETUTQPMSGHMHZ-JTQLQIEISA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)O[C@@H](CCNc1ccc(-c3nn[n-]n3)nn1)CS2 ZINC001593579927 1349860779 /nfs/dbraw/zinc/86/07/79/1349860779.db2.gz PETUTQPMSGHMHZ-JTQLQIEISA-N -1 1 341.400 2.012 20 0 EEADMM Cc1cc(CN[C@H]2C[C@H](C)N(c3ccccc3)C2=O)[nH]c1C(=O)[O-] ZINC001600208049 1349993472 /nfs/dbraw/zinc/99/34/72/1349993472.db2.gz ZHXLLCNYBYHXMF-WFASDCNBSA-N -1 1 327.384 2.305 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC001600362483 1350030542 /nfs/dbraw/zinc/03/05/42/1350030542.db2.gz IQFKCEGMUFFCDA-UHFFFAOYSA-N -1 1 332.381 2.378 20 0 EEADMM Cc1cccc(OCCNC(=O)[C@H](C)N2CCC(CC(=O)[O-])CC2)c1 ZINC001600545875 1350079053 /nfs/dbraw/zinc/07/90/53/1350079053.db2.gz BMNYUJOKPNHFEP-HNNXBMFYSA-N -1 1 348.443 2.065 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)cc12 ZINC001600601068 1350094640 /nfs/dbraw/zinc/09/46/40/1350094640.db2.gz CUOUVMMNPAZDHT-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@H]1O ZINC001600652013 1350108291 /nfs/dbraw/zinc/10/82/91/1350108291.db2.gz SKNLJSZEWDZNJJ-SDDRHHMPSA-N -1 1 340.445 2.175 20 0 EEADMM Cc1[nH]ncc1CN(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001600674855 1350114821 /nfs/dbraw/zinc/11/48/21/1350114821.db2.gz OXGLRESXCIQIRE-UHFFFAOYSA-N -1 1 326.356 2.030 20 0 EEADMM Cc1csc2nc(C)c(CN(CCC(=O)[O-])C[C@@H]3CCCO3)n12 ZINC001600731607 1350123396 /nfs/dbraw/zinc/12/33/96/1350123396.db2.gz YTMXHFNVUIMGBA-ZDUSSCGKSA-N -1 1 337.445 2.468 20 0 EEADMM Cc1oc(CN(C)C(=O)c2n[nH]cc2C(F)(F)F)cc1C(=O)[O-] ZINC001600842470 1350149567 /nfs/dbraw/zinc/14/95/67/1350149567.db2.gz DYXGSLSULHYTKL-UHFFFAOYSA-N -1 1 331.250 2.300 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001600860269 1350154378 /nfs/dbraw/zinc/15/43/78/1350154378.db2.gz DQAISFMTEAOAPE-UHFFFAOYSA-N -1 1 331.372 2.009 20 0 EEADMM Cc1sc(NC(=O)CN2CCN(C)C(C)(C)C2)c(C(=O)[O-])c1C ZINC001600885956 1350160532 /nfs/dbraw/zinc/16/05/32/1350160532.db2.gz JOZRDXSPVXRONK-UHFFFAOYSA-N -1 1 339.461 2.028 20 0 EEADMM Cn1ncc(C(F)(F)F)c1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601025398 1350192685 /nfs/dbraw/zinc/19/26/85/1350192685.db2.gz HWGGPOQHOACPSV-GFCCVEGCSA-N -1 1 331.269 2.494 20 0 EEADMM NC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001601143524 1350219995 /nfs/dbraw/zinc/21/99/95/1350219995.db2.gz JPVAINXSUIPCIA-LBPRGKRZSA-N -1 1 331.199 2.316 20 0 EEADMM N[C@H](Cc1cc2ccccc2o1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001601176370 1350225666 /nfs/dbraw/zinc/22/56/66/1350225666.db2.gz PBEIQGAMBQWAQS-DPAVQSFQSA-N -1 1 342.395 2.014 20 0 EEADMM O=C([O-])C1(NC(=O)CN2CC[C@H](c3ccccc3)C2)CCCCC1 ZINC001601304161 1350253019 /nfs/dbraw/zinc/25/30/19/1350253019.db2.gz MVKHNMGBYMXPOW-INIZCTEOSA-N -1 1 330.428 2.380 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(-c2ccccc2F)o1 ZINC001601564861 1350307318 /nfs/dbraw/zinc/30/73/18/1350307318.db2.gz HCWWGMKLYYDQOR-ZDUSSCGKSA-N -1 1 343.314 2.235 20 0 EEADMM O=C([O-])[C@@H](CNS(=O)(=O)c1cc(O)cc(F)c1)CC1CCCC1 ZINC001601650545 1350328413 /nfs/dbraw/zinc/32/84/13/1350328413.db2.gz DMGKDOZTMNECEQ-LLVKDONJSA-N -1 1 345.392 2.091 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(CCCOc3cccc(Cl)c3)C2)C1 ZINC001601746033 1350354309 /nfs/dbraw/zinc/35/43/09/1350354309.db2.gz BFBVLKDCGUMOOE-MRXNPFEDSA-N -1 1 338.791 2.414 20 0 EEADMM O=C([O-])[C@H]1[C@H](CNCc2nc(-c3ccncc3)cs2)C1(F)F ZINC001601753243 1350356871 /nfs/dbraw/zinc/35/68/71/1350356871.db2.gz RJZZVIHHSZALAZ-JOYOIKCWSA-N -1 1 325.340 2.261 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC001601765171 1350358919 /nfs/dbraw/zinc/35/89/19/1350358919.db2.gz OGUJCOKBTCDZSS-UWVGGRQHSA-N -1 1 349.770 2.106 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cc(C(F)(F)F)co1)C[C@@H]2C(=O)[O-] ZINC001601784274 1350363953 /nfs/dbraw/zinc/36/39/53/1350363953.db2.gz ZXZSSTQMCWSRPV-IYXOAMITSA-N -1 1 347.289 2.296 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1scnc1C1CC1)C[C@@H]2C(=O)[O-] 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331.397 2.016 20 0 EEADMM O=C([O-])c1cnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)nc1 ZINC001602524953 1350538596 /nfs/dbraw/zinc/53/85/96/1350538596.db2.gz JSUCWYQMPFKMSM-UHFFFAOYSA-N -1 1 341.293 2.301 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001603185424 1350658228 /nfs/dbraw/zinc/65/82/28/1350658228.db2.gz QOZNQCIKZLVMIH-JSGCOSHPSA-N -1 1 326.404 2.463 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001603185424 1350658232 /nfs/dbraw/zinc/65/82/32/1350658232.db2.gz QOZNQCIKZLVMIH-JSGCOSHPSA-N -1 1 326.404 2.463 20 0 EEADMM CC(C)(C)[C@H]1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC001603319291 1350687228 /nfs/dbraw/zinc/68/72/28/1350687228.db2.gz KSHRMSWTDNIIOH-JTQLQIEISA-N -1 1 325.434 2.077 20 0 EEADMM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603471871 1350710096 /nfs/dbraw/zinc/71/00/96/1350710096.db2.gz JYHDXVKFVAWBIZ-LLVKDONJSA-N -1 1 347.423 2.367 20 0 EEADMM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603471871 1350710099 /nfs/dbraw/zinc/71/00/99/1350710099.db2.gz JYHDXVKFVAWBIZ-LLVKDONJSA-N -1 1 347.423 2.367 20 0 EEADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)CC(F)(F)F ZINC001603542162 1350717796 /nfs/dbraw/zinc/71/77/96/1350717796.db2.gz BIHNURNQNUZIAR-ZETCQYMHSA-N -1 1 331.273 2.324 20 0 EEADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)CC(F)(F)F ZINC001603542162 1350717801 /nfs/dbraw/zinc/71/78/01/1350717801.db2.gz BIHNURNQNUZIAR-ZETCQYMHSA-N -1 1 331.273 2.324 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1[C@@H]1CCCO1 ZINC001603785401 1350767480 /nfs/dbraw/zinc/76/74/80/1350767480.db2.gz WYLZEBNZXVOBGT-JSGCOSHPSA-N -1 1 345.378 2.035 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1[C@@H]1CCCO1 ZINC001603785401 1350767486 /nfs/dbraw/zinc/76/74/86/1350767486.db2.gz WYLZEBNZXVOBGT-JSGCOSHPSA-N -1 1 345.378 2.035 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1[C@@H]1CCCO1 ZINC001603788686 1350768217 /nfs/dbraw/zinc/76/82/17/1350768217.db2.gz APNCVPNIARLSQF-CBAPKCEASA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@H]1[C@@H]1CCCO1 ZINC001603788686 1350768223 /nfs/dbraw/zinc/76/82/23/1350768223.db2.gz APNCVPNIARLSQF-CBAPKCEASA-N -1 1 340.840 2.370 20 0 EEADMM C[C@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@]1(F)Cl ZINC001603800069 1350770797 /nfs/dbraw/zinc/77/07/97/1350770797.db2.gz HAASNVILRGGTRU-RYUDHWBXSA-N -1 1 329.788 2.363 20 0 EEADMM CC1(C)CO[C@H](CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001603791524 1350768821 /nfs/dbraw/zinc/76/88/21/1350768821.db2.gz NSNGIKWHMRWREJ-LLVKDONJSA-N -1 1 329.408 2.151 20 0 EEADMM CC1(C)CO[C@H](CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001603791524 1350768822 /nfs/dbraw/zinc/76/88/22/1350768822.db2.gz NSNGIKWHMRWREJ-LLVKDONJSA-N -1 1 329.408 2.151 20 0 EEADMM C[C@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@]1(F)Cl ZINC001603800069 1350770792 /nfs/dbraw/zinc/77/07/92/1350770792.db2.gz HAASNVILRGGTRU-RYUDHWBXSA-N -1 1 329.788 2.363 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603868222 1350787128 /nfs/dbraw/zinc/78/71/28/1350787128.db2.gz SZVKFOWZTVTVSD-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603868222 1350787129 /nfs/dbraw/zinc/78/71/29/1350787129.db2.gz SZVKFOWZTVTVSD-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CC[C@@](C[NH2+]Cc2csc(-c3nn[n-]n3)c2)(CC(=O)[O-])C1 ZINC001603878564 1350791079 /nfs/dbraw/zinc/79/10/79/1350791079.db2.gz UPAKLGFJUZNFNW-BONVTDFDSA-N -1 1 335.433 2.299 20 0 EEADMM C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C[C@@H](C)S1 ZINC001603924107 1350803079 /nfs/dbraw/zinc/80/30/79/1350803079.db2.gz ISBXVIDBKLKTDX-NXEZZACHSA-N -1 1 342.428 2.314 20 0 EEADMM CC[C@H](C)C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604000042 1350825348 /nfs/dbraw/zinc/82/53/48/1350825348.db2.gz HTZNAHQNSPALHD-WPRPVWTQSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@H](C)C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604000042 1350825351 /nfs/dbraw/zinc/82/53/51/1350825351.db2.gz HTZNAHQNSPALHD-WPRPVWTQSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1cccc(Cl)c1 ZINC001604039836 1350836317 /nfs/dbraw/zinc/83/63/17/1350836317.db2.gz MSDBXMHVTDGZJB-NSHDSACASA-N -1 1 345.794 2.002 20 0 EEADMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001604072910 1350847346 /nfs/dbraw/zinc/84/73/46/1350847346.db2.gz ZNMDHBUCZQGKJF-SNVBAGLBSA-N -1 1 344.400 2.428 20 0 EEADMM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001604072910 1350847353 /nfs/dbraw/zinc/84/73/53/1350847353.db2.gz ZNMDHBUCZQGKJF-SNVBAGLBSA-N -1 1 344.400 2.428 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604086064 1350851611 /nfs/dbraw/zinc/85/16/11/1350851611.db2.gz OAVNOJBIDMFZNP-QWHCGFSZSA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604086064 1350851616 /nfs/dbraw/zinc/85/16/16/1350851616.db2.gz OAVNOJBIDMFZNP-QWHCGFSZSA-N -1 1 333.392 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1351148995 /nfs/dbraw/zinc/14/89/95/1351148995.db2.gz ISEVGKQOVHMACF-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CCCc1csc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)n1 ZINC001605379145 1351149180 /nfs/dbraw/zinc/14/91/80/1351149180.db2.gz SLIOWQRCHZXQSF-LLVKDONJSA-N -1 1 340.449 2.108 20 0 EEADMM CCOC(=O)CCc1c(C)[nH]n(-c2ccc(C)c(C(=O)[O-])c2)c1=O ZINC001605537613 1351184085 /nfs/dbraw/zinc/18/40/85/1351184085.db2.gz HBVWPNOCAMAUGO-ZDUSSCGKSA-N -1 1 332.356 2.375 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(c3cccc(F)c3)CC2)n1 ZINC001605559742 1351190006 /nfs/dbraw/zinc/19/00/06/1351190006.db2.gz GMNIMTNCIVPMLZ-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(c3cccc(F)c3)CC2)n1 ZINC001605559742 1351190008 /nfs/dbraw/zinc/19/00/08/1351190008.db2.gz GMNIMTNCIVPMLZ-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001605563484 1351190636 /nfs/dbraw/zinc/19/06/36/1351190636.db2.gz WTKKLONRVIWFEH-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC001605563484 1351190638 /nfs/dbraw/zinc/19/06/38/1351190638.db2.gz WTKKLONRVIWFEH-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001605790216 1351223292 /nfs/dbraw/zinc/22/32/92/1351223292.db2.gz PJWYJJFQYFBBEP-UHFFFAOYSA-N -1 1 346.305 2.343 20 0 EEADMM Cc1ccc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605864622 1351240761 /nfs/dbraw/zinc/24/07/61/1351240761.db2.gz KGLFSEIBXVRQDK-UWVGGRQHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605864622 1351240764 /nfs/dbraw/zinc/24/07/64/1351240764.db2.gz KGLFSEIBXVRQDK-UWVGGRQHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(NC[C@H](O)Cc2cccc(Cl)c2)nc1-c1nnn[n-]1 ZINC001605874206 1351243347 /nfs/dbraw/zinc/24/33/47/1351243347.db2.gz KOYAMUNMZPNTTF-CYBMUJFWSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(NC[C@H](O)Cc2cccc(Cl)c2)nc1-c1nn[n-]n1 ZINC001605874206 1351243351 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Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606105310 1351271568 /nfs/dbraw/zinc/27/15/68/1351271568.db2.gz VNSZZUKKICZQPG-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606105310 1351271571 /nfs/dbraw/zinc/27/15/71/1351271571.db2.gz VNSZZUKKICZQPG-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@H](C(=O)[O-])C1 ZINC001606236457 1351286862 /nfs/dbraw/zinc/28/68/62/1351286862.db2.gz YQXHDUOABVZNNH-MRVPVSSYSA-N -1 1 349.189 2.221 20 0 EEADMM CN1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@H](C(=O)[O-])C1 ZINC001606236457 1351286864 /nfs/dbraw/zinc/28/68/64/1351286864.db2.gz YQXHDUOABVZNNH-MRVPVSSYSA-N -1 1 349.189 2.221 20 0 EEADMM COC(=O)[C@H]1CC[C@H](C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CC1 ZINC001606519304 1351315881 /nfs/dbraw/zinc/31/58/81/1351315881.db2.gz IYHGPTYITHUCOB-MGCOHNPYSA-N -1 1 345.355 2.179 20 0 EEADMM COC(=O)c1[nH]c(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1C ZINC001606522762 1351316301 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O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1(C(F)(F)F)CC1 ZINC001606816711 1351360125 /nfs/dbraw/zinc/36/01/25/1351360125.db2.gz PWUAEHFNZWUZFL-UHFFFAOYSA-N -1 1 347.247 2.104 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606832102 1351363333 /nfs/dbraw/zinc/36/33/33/1351363333.db2.gz QXQWLVWZUNGSNZ-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606832102 1351363338 /nfs/dbraw/zinc/36/33/38/1351363338.db2.gz QXQWLVWZUNGSNZ-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1=Cc2ccccc2OC1 ZINC001606831198 1351363453 /nfs/dbraw/zinc/36/34/53/1351363453.db2.gz HEDTUSHWLRASPF-UHFFFAOYSA-N -1 1 339.380 2.020 20 0 EEADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606902091 1351371947 /nfs/dbraw/zinc/37/19/47/1351371947.db2.gz CJBFLDUJZRCEKX-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606902091 1351371948 /nfs/dbraw/zinc/37/19/48/1351371948.db2.gz 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CC(C)C1(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001424673896 1401210927 /nfs/dbraw/zinc/21/09/27/1401210927.db2.gz XGMORIJORSBXIG-KGLIPLIRSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])cc1F ZINC001425040890 1401405485 /nfs/dbraw/zinc/40/54/85/1401405485.db2.gz RYNYSIGOGWTNTP-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])sc1C ZINC001425252273 1401531879 /nfs/dbraw/zinc/53/18/79/1401531879.db2.gz KTHWMDCVYNZQON-LLVKDONJSA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)CCC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001426509747 1402072961 /nfs/dbraw/zinc/07/29/61/1402072961.db2.gz XYPAQPWOUUSWNH-UHFFFAOYSA-N -1 1 335.448 2.438 20 0 EEADMM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-])c1ccsc1 ZINC001427517060 1402457371 /nfs/dbraw/zinc/45/73/71/1402457371.db2.gz LSBAAOFSFSSWNQ-NWDGAFQWSA-N -1 1 347.440 2.229 20 0 EEADMM C[C@@H](C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1)C(C)(C)C ZINC001427545207 1402470691 /nfs/dbraw/zinc/47/06/91/1402470691.db2.gz WWQCPSSXEJZDDU-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(Br)cc1[O-])c1cn[nH]n1 ZINC001576191598 1403561746 /nfs/dbraw/zinc/56/17/46/1403561746.db2.gz XCNOCGQJEREYOG-CYBMUJFWSA-N -1 1 339.193 2.328 20 0 EEADMM CCC(=O)N(C)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001576412814 1403573233 /nfs/dbraw/zinc/57/32/33/1403573233.db2.gz ZMSGSGRQAPUZNM-UHFFFAOYSA-N -1 1 340.343 2.085 20 0 EEADMM CCC(=O)N(C)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001576412814 1403573237 /nfs/dbraw/zinc/57/32/37/1403573237.db2.gz ZMSGSGRQAPUZNM-UHFFFAOYSA-N -1 1 340.343 2.085 20 0 EEADMM CC[C@@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@H]1CC1(C)C ZINC001576972832 1403617202 /nfs/dbraw/zinc/61/72/02/1403617202.db2.gz BUMYTFPIDPUKNS-VXGBXAGGSA-N -1 1 345.407 2.217 20 0 EEADMM CCCCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001577421804 1403650530 /nfs/dbraw/zinc/65/05/30/1403650530.db2.gz YOERCCYYJISONA-UHFFFAOYSA-N -1 1 349.464 2.273 20 0 EEADMM COc1ccc(Cl)cc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001580033061 1403812705 /nfs/dbraw/zinc/81/27/05/1403812705.db2.gz WSEJAHRPNACBQM-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1ccc(Cl)cc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001580033061 1403812721 /nfs/dbraw/zinc/81/27/21/1403812721.db2.gz WSEJAHRPNACBQM-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590499938 1403881756 /nfs/dbraw/zinc/88/17/56/1403881756.db2.gz OFODDJXFPBJUTD-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590499938 1403881760 /nfs/dbraw/zinc/88/17/60/1403881760.db2.gz OFODDJXFPBJUTD-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CC[C@H]1CN(c2ccccc2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001590522155 1403883105 /nfs/dbraw/zinc/88/31/05/1403883105.db2.gz PNMHFLNIXXKIFX-AWEZNQCLSA-N -1 1 335.415 2.367 20 0 EEADMM CC[C@H]1CN(c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001590522155 1403883112 /nfs/dbraw/zinc/88/31/12/1403883112.db2.gz PNMHFLNIXXKIFX-AWEZNQCLSA-N -1 1 335.415 2.367 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592325870 1404018044 /nfs/dbraw/zinc/01/80/44/1404018044.db2.gz KMIYEWSQTBVLHI-QMMMGPOBSA-N -1 1 330.348 2.037 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592325870 1404018052 /nfs/dbraw/zinc/01/80/52/1404018052.db2.gz KMIYEWSQTBVLHI-QMMMGPOBSA-N -1 1 330.348 2.037 20 0 EEADMM Cc1nocc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001592466359 1404700074 /nfs/dbraw/zinc/70/00/74/1404700074.db2.gz QCFUHIXPBDQHOD-UHFFFAOYSA-N -1 1 340.322 2.100 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C(F)F)o2)c1-c1nnn[n-]1 ZINC001592482053 1404700828 /nfs/dbraw/zinc/70/08/28/1404700828.db2.gz PTBCFGAICMRKFU-UHFFFAOYSA-N -1 1 326.288 2.415 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C(F)F)o2)c1-c1nn[n-]n1 ZINC001592482053 1404700832 /nfs/dbraw/zinc/70/08/32/1404700832.db2.gz PTBCFGAICMRKFU-UHFFFAOYSA-N -1 1 326.288 2.415 20 0 EEADMM Cc1nsc(NC(=O)c2cc3ccccc3n2C)c1-c1nnn[n-]1 ZINC001592482217 1404701979 /nfs/dbraw/zinc/70/19/79/1404701979.db2.gz YDYOKXBHYNSALH-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nsc(NC(=O)c2cc3ccccc3n2C)c1-c1nn[n-]n1 ZINC001592482217 1404701985 /nfs/dbraw/zinc/70/19/85/1404701985.db2.gz YDYOKXBHYNSALH-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nsc(Nc2ccc(N3CCC3=O)cc2)c1-c1nn[n-]n1 ZINC001592494317 1404702728 /nfs/dbraw/zinc/70/27/28/1404702728.db2.gz XXMJIRPYUVNIPH-UHFFFAOYSA-N -1 1 327.373 2.112 20 0 EEADMM O=C(NC[C@H]1CC=CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593028014 1404734946 /nfs/dbraw/zinc/73/49/46/1404734946.db2.gz BTUSINRBUJOVFN-ZETCQYMHSA-N -1 1 339.812 2.454 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001593044461 1404740180 /nfs/dbraw/zinc/74/01/80/1404740180.db2.gz JQGGSUHHNFNQBQ-LLVKDONJSA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1ccsc1-c1nnn[n-]1 ZINC001593097708 1404741237 /nfs/dbraw/zinc/74/12/37/1404741237.db2.gz GXIHJAMDUQMVNG-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1ccsc1-c1nn[n-]n1 ZINC001593097708 1404741240 /nfs/dbraw/zinc/74/12/40/1404741240.db2.gz GXIHJAMDUQMVNG-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001606293022 1404780306 /nfs/dbraw/zinc/78/03/06/1404780306.db2.gz DTDCKOFEAYOYCW-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001606293022 1404780308 /nfs/dbraw/zinc/78/03/08/1404780308.db2.gz DTDCKOFEAYOYCW-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1cccc(-c2cnc(COc3cnc(-c4nn[n-]n4)nc3)o2)c1 ZINC001606327357 1404793668 /nfs/dbraw/zinc/79/36/68/1404793668.db2.gz LRDFJYOPRAZOIN-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@](C)(CO)c1ccccc1 ZINC000124133193 1404926654 /nfs/dbraw/zinc/92/66/54/1404926654.db2.gz MPSQPCFHANBMQJ-CYBMUJFWSA-N -1 1 346.861 2.291 20 0 EEADMM C[C@@H](C[N-]C(=O)C(F)F)N(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC001755999205 1408067603 /nfs/dbraw/zinc/06/76/03/1408067603.db2.gz MQXPMEBESPHHBO-YFKPBYRVSA-N -1 1 342.239 2.085 20 0 EEADMM O=C(COC(=O)c1n[nH]c2c1CCCCC2)c1ccc([O-])cc1O ZINC001771668150 1409856767 /nfs/dbraw/zinc/85/67/67/1409856767.db2.gz SLHPSOAVGJOUEI-UHFFFAOYSA-N -1 1 330.340 2.130 20 0 EEADMM Cc1ccccc1OCCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001771795432 1409951847 /nfs/dbraw/zinc/95/18/47/1409951847.db2.gz GTYXAEHRRVNSRZ-ZDUSSCGKSA-N -1 1 331.372 2.259 20 0 EEADMM Cc1nc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)oc1C ZINC000864330748 1410460873 /nfs/dbraw/zinc/46/08/73/1410460873.db2.gz IFOXBIRRYBCPGF-AWEZNQCLSA-N -1 1 343.431 2.377 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(Cc2cscn2)CC1 ZINC000997560150 790288806 /nfs/dbraw/zinc/28/88/06/790288806.db2.gz MDTKLAXWEYTRFU-LBPRGKRZSA-N -1 1 346.456 2.274 20 0 EEADMM CCOC(=O)C(=CNc1[n-]c(Cl)cc2ncnc1-2)C(=O)OCC ZINC001167650806 760835657 /nfs/dbraw/zinc/83/56/57/760835657.db2.gz UCPBPCSBHVEQIM-UHFFFAOYSA-N -1 1 338.751 2.033 20 0 EEADMM Cc1ccc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)nn1 ZINC001125857965 764987739 /nfs/dbraw/zinc/98/77/39/764987739.db2.gz RJZCAULEGDMSEQ-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM CC(C)(C)[C@@H](CNc1ncc(Cl)cn1)NC(=O)c1ncccc1[O-] ZINC001125858424 764993404 /nfs/dbraw/zinc/99/34/04/764993404.db2.gz ZSUNZCSOEDAOQY-GFCCVEGCSA-N -1 1 349.822 2.487 20 0 EEADMM Cc1cccnc1NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000918589062 769239402 /nfs/dbraw/zinc/23/94/02/769239402.db2.gz BOLLVQVSPALFLN-UHFFFAOYSA-N -1 1 335.367 2.025 20 0 EEADMM Cc1cnc(C)nc1N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001105175135 769247735 /nfs/dbraw/zinc/24/77/35/769247735.db2.gz WCJYKTPUXUTMKI-ZDUSSCGKSA-N -1 1 329.404 2.061 20 0 EEADMM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000918728733 769350700 /nfs/dbraw/zinc/35/07/00/769350700.db2.gz ZGFWCCYXQHAMEG-UHFFFAOYSA-N -1 1 331.349 2.093 20 0 EEADMM Cc1csc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000979666876 770813323 /nfs/dbraw/zinc/81/33/23/770813323.db2.gz YSOQYUGGBZPVAB-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1ccsc1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979691172 770849575 /nfs/dbraw/zinc/84/95/75/770849575.db2.gz ZFLYGSLZCKQEFG-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1nccc(C(=O)N2CCC(c3n[n-]c(=S)n3C3CC3)CC2)n1 ZINC000068424406 774509185 /nfs/dbraw/zinc/50/91/85/774509185.db2.gz ZGZZSMNXMUCYBO-UHFFFAOYSA-N -1 1 344.444 2.394 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccnc(C(F)(F)F)c1 ZINC000809621495 783228991 /nfs/dbraw/zinc/22/89/91/783228991.db2.gz HCDXTLBDQHKNCM-GFCCVEGCSA-N -1 1 348.288 2.133 20 0 EEADMM Cc1nsc(C)c1CN1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000981026716 776402138 /nfs/dbraw/zinc/40/21/38/776402138.db2.gz LTPOVJOCIRCDIT-UHFFFAOYSA-N -1 1 346.456 2.209 20 0 EEADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940134954 778144560 /nfs/dbraw/zinc/14/45/60/778144560.db2.gz WEXXEOPBAGTWOF-BFHYXJOUSA-N -1 1 345.443 2.190 20 0 EEADMM CCc1cc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nc(CC)n1 ZINC000893669306 778602282 /nfs/dbraw/zinc/60/22/82/778602282.db2.gz MUHFFNLMJKXMMA-UHFFFAOYSA-N -1 1 344.381 2.496 20 0 EEADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063320550 790697395 /nfs/dbraw/zinc/69/73/95/790697395.db2.gz HDHSREDHGFWATC-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832911 779378830 /nfs/dbraw/zinc/37/88/30/779378830.db2.gz PTGQJZONBCIPPQ-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM COc1ccc(OCCC(=O)NCc2n[n-]c(=S)n2C2CC2)cc1 ZINC000067070259 780170259 /nfs/dbraw/zinc/17/02/59/780170259.db2.gz YRTPNOHCSUFFQG-UHFFFAOYSA-N -1 1 348.428 2.369 20 0 EEADMM COc1ccc2c(c1)[C@@H](C(=O)N=c1ccnc3n(C)[n-]cc1-3)CCC2 ZINC000847002787 790811773 /nfs/dbraw/zinc/81/17/73/790811773.db2.gz UYXYOBRXXVYISL-AWEZNQCLSA-N -1 1 336.395 2.409 20 0 EEADMM COc1nc(C)ccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167938311 781021457 /nfs/dbraw/zinc/02/14/57/781021457.db2.gz IGCDXDBRKHYSHK-UHFFFAOYSA-N -1 1 334.312 2.483 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCCCC1 ZINC000941818570 781169950 /nfs/dbraw/zinc/16/99/50/781169950.db2.gz NXNWRIBUHJKBCJ-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)Nc1cccc(Oc2ccccc2)c1 ZINC000805605593 783652195 /nfs/dbraw/zinc/65/21/95/783652195.db2.gz LELWGNOZWGQFAM-UHFFFAOYSA-N -1 1 338.323 2.393 20 0 EEADMM C[C@H](NC(=O)C1CCCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005793570 784196027 /nfs/dbraw/zinc/19/60/27/784196027.db2.gz CHYYHFZKZRPIJJ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(Cl)c1C ZINC000907475978 784645034 /nfs/dbraw/zinc/64/50/34/784645034.db2.gz BCYCXLOTQIVIOI-LLVKDONJSA-N -1 1 337.836 2.400 20 0 EEADMM C[C@H](CCC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccccc1 ZINC000907476654 784645903 /nfs/dbraw/zinc/64/59/03/784645903.db2.gz QZXGAODKJPQWGE-OCCSQVGLSA-N -1 1 331.445 2.400 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCC(C)(C)C2CCOCC2)c1 ZINC000907458540 784664355 /nfs/dbraw/zinc/66/43/55/784664355.db2.gz 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CCCC1(C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001514722842 1118849006 /nfs/dbraw/zinc/84/90/06/1118849006.db2.gz JFWLIGVDNXHZQW-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CSCc1c2ccccc2oc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001521814189 1119277571 /nfs/dbraw/zinc/27/75/71/1119277571.db2.gz LYBDFNAFAMMRAT-JTQLQIEISA-N -1 1 343.412 2.439 20 0 EEADMM C[C@H](NC(=O)CC1CC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001523810334 1119876936 /nfs/dbraw/zinc/87/69/36/1119876936.db2.gz YVKNFKHOPSPDFJ-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccc(-c4ccoc4)c3)nc2n1 ZINC001527345042 1120769413 /nfs/dbraw/zinc/76/94/13/1120769413.db2.gz OXXQHFSGIPJKRF-UHFFFAOYSA-N -1 1 335.323 2.238 20 0 EEADMM CO[C@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC001548982620 1121032029 /nfs/dbraw/zinc/03/20/29/1121032029.db2.gz JFZAUUYWZJSQRL-JSGCOSHPSA-N -1 1 333.363 2.473 20 0 EEADMM O=C(N[C@H]1CCO[C@@H]1c1ccnn1CC1CC1)c1ccc([O-])cc1F ZINC001549420115 1121251565 /nfs/dbraw/zinc/25/15/65/1121251565.db2.gz SWOVPQUFLASLOQ-RDJZCZTQSA-N -1 1 345.374 2.398 20 0 EEADMM CN(C)C1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001550371535 1121776396 /nfs/dbraw/zinc/77/63/96/1121776396.db2.gz UNIUYLPFDRIKNU-KBPBESRZSA-N -1 1 336.819 2.061 20 0 EEADMM Cc1ccnc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1[O-] ZINC001550409318 1121802272 /nfs/dbraw/zinc/80/22/72/1121802272.db2.gz IURFOOGHQAKELI-LRDDRELGSA-N -1 1 330.388 2.133 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccsc1)NC(=O)c1ncccc1[O-] ZINC001532666935 1122871941 /nfs/dbraw/zinc/87/19/41/1122871941.db2.gz CXXFENFMQJFNMD-GFCCVEGCSA-N -1 1 333.413 2.033 20 0 EEADMM CCCCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001534487127 1123340262 /nfs/dbraw/zinc/34/02/62/1123340262.db2.gz RPVWHJMEUXQYEI-ZIAGYGMSSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001537192811 1123974451 /nfs/dbraw/zinc/97/44/51/1123974451.db2.gz JXCXVHIJSWALSH-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CN(C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1nn[n-]n1 ZINC001539048261 1124043655 /nfs/dbraw/zinc/04/36/55/1124043655.db2.gz SKXVYJGXZIMYDM-UHFFFAOYSA-N -1 1 339.142 2.438 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc4ccncc4c3)nc2n1 ZINC001543196330 1124123863 /nfs/dbraw/zinc/12/38/63/1124123863.db2.gz MIORHPDMHXKTMM-UHFFFAOYSA-N -1 1 348.366 2.171 20 0 EEADMM CC(C)(C)Sc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)ccn1 ZINC001548764523 1124487108 /nfs/dbraw/zinc/48/71/08/1124487108.db2.gz PQFOICFWCRRJLG-NSHDSACASA-N -1 1 332.433 2.115 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1ccc(C(F)(F)F)cc1 ZINC001548766211 1124488601 /nfs/dbraw/zinc/48/86/01/1124488601.db2.gz UAFMCANGOQZMCT-MWLCHTKSSA-N -1 1 339.321 2.338 20 0 EEADMM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548765753 1124489511 /nfs/dbraw/zinc/48/95/11/1124489511.db2.gz RXMDKPQVCLMSCU-FZMZJTMJSA-N -1 1 349.822 2.273 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc(C)c1OC(F)F ZINC001548768960 1124490347 /nfs/dbraw/zinc/49/03/47/1124490347.db2.gz SXYFELGJXIRXNM-SNVBAGLBSA-N -1 1 337.330 2.048 20 0 EEADMM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548768781 1124490488 /nfs/dbraw/zinc/49/04/88/1124490488.db2.gz PABOTPYSISIICJ-GXTWGEPZSA-N -1 1 331.445 2.333 20 0 EEADMM Cc1cc(Br)ccc1NC(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC000054523656 214242209 /nfs/dbraw/zinc/24/22/09/214242209.db2.gz JVTXNEPIEAEBKW-CYBMUJFWSA-N -1 1 341.205 2.149 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000187416539 529482165 /nfs/dbraw/zinc/48/21/65/529482165.db2.gz WGGRPIAVFGBEKW-MLGOLLRUSA-N -1 1 340.427 2.330 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000106006672 529942724 /nfs/dbraw/zinc/94/27/24/529942724.db2.gz YMJNRWAFOUDQJN-LLVKDONJSA-N -1 1 346.408 2.170 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)o1 ZINC000416296531 530027279 /nfs/dbraw/zinc/02/72/79/530027279.db2.gz VQYXDRZAWNXKKD-NEPJUHHUSA-N -1 1 342.461 2.475 20 0 EEADMM O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(Br)cc1[O-] ZINC000378115005 303984860 /nfs/dbraw/zinc/98/48/60/303984860.db2.gz LJLKFZWMBFLRTB-JTQLQIEISA-N -1 1 336.189 2.165 20 0 EEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccncc2F)c(F)c1 ZINC000180169189 539577278 /nfs/dbraw/zinc/57/72/78/539577278.db2.gz XPQBUEWRYLERNS-UHFFFAOYSA-N -1 1 345.302 2.258 20 0 EEADMM CCC[C@@H](NC(=O)c1cc(=O)[nH]c2c(F)cc(C)cc12)c1nn[n-]n1 ZINC000182327385 539589504 /nfs/dbraw/zinc/58/95/04/539589504.db2.gz XAVDVRRQQXILEP-GFCCVEGCSA-N -1 1 344.350 2.172 20 0 EEADMM O=C(CNC(=O)OCC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000129650494 223077620 /nfs/dbraw/zinc/07/76/20/223077620.db2.gz KZABGYIOGVZUOA-UHFFFAOYSA-N -1 1 326.658 2.273 20 0 EEADMM COCC[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCOC1 ZINC000446948900 242233740 /nfs/dbraw/zinc/23/37/40/242233740.db2.gz RMIJKAUQYCORKM-CQSZACIVSA-N -1 1 333.306 2.336 20 0 EEADMM CCOC(=O)c1ccc(CS(=O)(=O)[N-][C@@H](CC)C(F)F)cc1 ZINC000451078322 242993385 /nfs/dbraw/zinc/99/33/85/242993385.db2.gz DNIJLRRNFACIMJ-LBPRGKRZSA-N -1 1 335.372 2.326 20 0 EEADMM COCCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000451103736 243003270 /nfs/dbraw/zinc/00/32/70/243003270.db2.gz OETWJGUZSHBECZ-UHFFFAOYSA-N -1 1 337.397 2.243 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)[nH]nc2C(C)C)cc1C ZINC000451110355 243004585 /nfs/dbraw/zinc/00/45/85/243004585.db2.gz CERYBVJCBNUIGN-UHFFFAOYSA-N -1 1 336.417 2.050 20 0 EEADMM COCC[C@]1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCOC1 ZINC000451454176 243119738 /nfs/dbraw/zinc/11/97/38/243119738.db2.gz HRBNMXVBMVKDHF-HNNXBMFYSA-N -1 1 343.376 2.046 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)s1 ZINC000451828103 243284048 /nfs/dbraw/zinc/28/40/48/243284048.db2.gz VRYAWTFDIBOSDM-QMMMGPOBSA-N -1 1 339.385 2.248 20 0 EEADMM Cn1cccc([N-]S(=O)(=O)c2sccc2Br)c1=O ZINC000076937566 216824510 /nfs/dbraw/zinc/82/45/10/216824510.db2.gz JONTXAUHWZLQRR-UHFFFAOYSA-N -1 1 349.231 2.010 20 0 EEADMM CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000456192101 244177029 /nfs/dbraw/zinc/17/70/29/244177029.db2.gz MHQISNSLDOVRQW-NSHDSACASA-N -1 1 331.821 2.085 20 0 EEADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000456795847 244360691 /nfs/dbraw/zinc/36/06/91/244360691.db2.gz VFKMIHDKYHFUCH-ZCFIWIBFSA-N -1 1 338.232 2.020 20 0 EEADMM COCC[C@@]1(NCc2cccc(O)c2Br)CCOC1 ZINC000459517442 245151967 /nfs/dbraw/zinc/15/19/67/245151967.db2.gz ONIBYHYUVAJCEP-CQSZACIVSA-N -1 1 330.222 2.440 20 0 EEADMM CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000262699745 245127334 /nfs/dbraw/zinc/12/73/34/245127334.db2.gz YNMGREODDODSPS-GDBMZVCRSA-N -1 1 348.443 2.449 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=C(C1CC1)C1CC1 ZINC000265170359 247265581 /nfs/dbraw/zinc/26/55/81/247265581.db2.gz DMUHFANIAPVBSH-UHFFFAOYSA-N -1 1 326.400 2.002 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(C)CCCOC(C)C ZINC000265908188 247914175 /nfs/dbraw/zinc/91/41/75/247914175.db2.gz XPSSSPHOQLTJDG-UHFFFAOYSA-N -1 1 348.447 2.258 20 0 EEADMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)no1 ZINC000266164228 248142226 /nfs/dbraw/zinc/14/22/26/248142226.db2.gz LUIDWNVSRJHFTP-UHFFFAOYSA-N -1 1 335.307 2.009 20 0 EEADMM CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000092643051 218155593 /nfs/dbraw/zinc/15/55/93/218155593.db2.gz NCZZOSTYKZAGAB-ZDUSSCGKSA-N -1 1 340.431 2.408 20 0 EEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)c(F)cc1F ZINC000155850155 255784416 /nfs/dbraw/zinc/78/44/16/255784416.db2.gz GHEQLMOLQIBUPG-WZYXQFPFSA-N -1 1 347.358 2.340 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C(N)=O)C1 ZINC000187001292 255945609 /nfs/dbraw/zinc/94/56/09/255945609.db2.gz DJWZAPSZPRQMCX-LDYMZIIASA-N -1 1 330.306 2.137 20 0 EEADMM CCN(C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C(C)C ZINC000267120276 256028746 /nfs/dbraw/zinc/02/87/46/256028746.db2.gz IWWGHKZKAYEWOI-UHFFFAOYSA-N -1 1 329.422 2.329 20 0 EEADMM O=S(=O)([N-]C[C@H](O)CCc1ccccc1)c1cccc(F)c1F ZINC000273104680 256265867 /nfs/dbraw/zinc/26/58/67/256265867.db2.gz PGHBNDLXURQCJP-CYBMUJFWSA-N -1 1 341.379 2.237 20 0 EEADMM CCOc1cc(C(=O)N2CCC(O)(COC)CC2)cc(Cl)c1[O-] ZINC000273903025 256337020 /nfs/dbraw/zinc/33/70/20/256337020.db2.gz XVGODLJLGQCOHN-UHFFFAOYSA-N -1 1 343.807 2.058 20 0 EEADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1[C@@H](O)C(F)(F)F ZINC000273464949 256298608 /nfs/dbraw/zinc/29/86/08/256298608.db2.gz ORRKFFOCQACGHF-BXKDBHETSA-N -1 1 339.335 2.203 20 0 EEADMM O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000111665935 142364383 /nfs/dbraw/zinc/36/43/83/142364383.db2.gz VASSIXJBHNBDEM-UHFFFAOYSA-N -1 1 329.743 2.394 20 0 EEADMM O=C(NCCC[N-]S(=O)(=O)c1cc2ccccc2o1)C1CCC1 ZINC000084939374 292205647 /nfs/dbraw/zinc/20/56/47/292205647.db2.gz YHSTWXQOBFYNJK-UHFFFAOYSA-N -1 1 336.413 2.018 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1=Cc2cc(F)ccc2OC1 ZINC000090394278 292218227 /nfs/dbraw/zinc/21/82/27/292218227.db2.gz QLAFVEJOCLKLFM-UHFFFAOYSA-N -1 1 328.225 2.377 20 0 EEADMM CCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000120787318 292258016 /nfs/dbraw/zinc/25/80/16/292258016.db2.gz HBOLGTGFMLODPX-UHFFFAOYSA-N -1 1 336.369 2.033 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000262674927 152304045 /nfs/dbraw/zinc/30/40/45/152304045.db2.gz TWPKRJONZDQHFE-SSDOTTSWSA-N -1 1 327.262 2.060 20 0 EEADMM O=C([O-])[C@H]1CCN(CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000262674917 152304096 /nfs/dbraw/zinc/30/40/96/152304096.db2.gz TWBUPKHAASDDOX-YOEHRIQHSA-N -1 1 344.436 2.360 20 0 EEADMM CC(C)Oc1cccc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000124239238 292288039 /nfs/dbraw/zinc/28/80/39/292288039.db2.gz MRARVUQPJCUHOG-XEHSLEBBSA-N -1 1 329.404 2.262 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C ZINC000073078454 159049444 /nfs/dbraw/zinc/04/94/44/159049444.db2.gz ULFXSJYFZDWMHQ-LBPRGKRZSA-N -1 1 334.445 2.242 20 0 EEADMM O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1[O-] ZINC000085980166 159170144 /nfs/dbraw/zinc/17/01/44/159170144.db2.gz 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YSEMWDQZMLWPJX-UHFFFAOYSA-N -1 1 342.354 2.464 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])n[nH]2)cc1 ZINC000237703049 600699189 /nfs/dbraw/zinc/69/91/89/600699189.db2.gz UWPLGQGGKVBPMB-ZDUSSCGKSA-N -1 1 345.424 2.417 20 0 EEADMM COC[C@H](C)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000831643497 600986941 /nfs/dbraw/zinc/98/69/41/600986941.db2.gz KPJGPRVGAFSHQR-WFASDCNBSA-N -1 1 326.824 2.118 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000829701575 600993265 /nfs/dbraw/zinc/99/32/65/600993265.db2.gz HCCUEEJLLHBPHA-UHFFFAOYSA-N -1 1 348.399 2.463 20 0 EEADMM Cc1ccc(C)c(OCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832926647 601094153 /nfs/dbraw/zinc/09/41/53/601094153.db2.gz YDAYOQUUQGYBDX-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc3c2ccn3C)CC1 ZINC000827369446 601131733 /nfs/dbraw/zinc/13/17/33/601131733.db2.gz YLJLQNNQFFNQMT-CYBMUJFWSA-N -1 1 344.415 2.191 20 0 EEADMM CC(C)[C@@H](CNC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccccc1 ZINC000826687882 601173177 /nfs/dbraw/zinc/17/31/77/601173177.db2.gz REMICNLXLHYPRI-APWZRJJASA-N -1 1 332.444 2.385 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825793732 601288408 /nfs/dbraw/zinc/28/84/08/601288408.db2.gz YUJWBPREMAVXFK-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM Cc1ccc(C)c(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832926312 601338427 /nfs/dbraw/zinc/33/84/27/601338427.db2.gz MNRDIJYSACFUAM-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM O=C([O-])c1nn(CN2CCC[C@H]2Cn2cccn2)c2ccccc21 ZINC000833347036 601400885 /nfs/dbraw/zinc/40/08/85/601400885.db2.gz RTXFRTAQZPPTQG-ZDUSSCGKSA-N -1 1 325.372 2.053 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C1(C)C ZINC000831526972 601540154 /nfs/dbraw/zinc/54/01/54/601540154.db2.gz QRIQFRCVIZZUIZ-GUYCJALGSA-N -1 1 340.464 2.026 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000827375097 601677934 /nfs/dbraw/zinc/67/79/34/601677934.db2.gz PSWGJKCWKHPWHX-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)N(CC1CC1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826940071 601873939 /nfs/dbraw/zinc/87/39/39/601873939.db2.gz DRJUOFQXVMVLDL-UHFFFAOYSA-N -1 1 345.399 2.231 20 0 EEADMM C[C@H]1CCN(Cn2ncc3cc(C(=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000828295184 602304639 /nfs/dbraw/zinc/30/46/39/602304639.db2.gz AOPQUAFTZBOULE-GUYCJALGSA-N -1 1 339.399 2.472 20 0 EEADMM COC(=O)c1ccccc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833717450 604515976 /nfs/dbraw/zinc/51/59/76/604515976.db2.gz PIZDSOXCSHWYKE-KRWDZBQOSA-N -1 1 325.364 2.485 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN(Cc2ccncc2)C2CC2)cc1 ZINC000833782447 604914094 /nfs/dbraw/zinc/91/40/94/604914094.db2.gz NYZSTEBHMFOVMB-QGZVFWFLSA-N -1 1 342.395 2.184 20 0 EEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833685272 604916760 /nfs/dbraw/zinc/91/67/60/604916760.db2.gz JBLXDHXMKVWGFW-KBPBESRZSA-N -1 1 335.404 2.149 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccccc2Br)CC1 ZINC000833770617 604982593 /nfs/dbraw/zinc/98/25/93/604982593.db2.gz KGTTYUHVCVAZFW-ZDUSSCGKSA-N -1 1 328.206 2.107 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC000833672601 605019379 /nfs/dbraw/zinc/01/93/79/605019379.db2.gz CVSYDWPHEKOSBC-LURJTMIESA-N -1 1 339.302 2.226 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000833512087 605023128 /nfs/dbraw/zinc/02/31/28/605023128.db2.gz HFUFPIMKLNNMKX-NSHDSACASA-N -1 1 330.388 2.436 20 0 EEADMM CN(C(=O)CN[C@@H](CCO)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685139 605068375 /nfs/dbraw/zinc/06/83/75/605068375.db2.gz BLTJXVQVNWGGFT-INIZCTEOSA-N -1 1 342.395 2.061 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000833771870 605267269 /nfs/dbraw/zinc/26/72/69/605267269.db2.gz SOTAUALKUBABEH-HZSPNIEDSA-N -1 1 346.431 2.279 20 0 EEADMM C/C(=C\c1ccc(C)cc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833386054 605456102 /nfs/dbraw/zinc/45/61/02/605456102.db2.gz WJWQUBLMINQSJN-ASNKMWSDSA-N -1 1 330.428 2.406 20 0 EEADMM C[C@](O)(CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833525153 605764405 /nfs/dbraw/zinc/76/44/05/605764405.db2.gz PQNFWXRSCXLLBX-SFHVURJKSA-N -1 1 339.351 2.497 20 0 EEADMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833615683 605874891 /nfs/dbraw/zinc/87/48/91/605874891.db2.gz IGNSLKHFNMRYFA-ZDUSSCGKSA-N -1 1 343.383 2.109 20 0 EEADMM O=C(OCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823410202 606138360 /nfs/dbraw/zinc/13/83/60/606138360.db2.gz RITTZYWZXOGSPJ-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM O=C(OCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823410202 606138361 /nfs/dbraw/zinc/13/83/61/606138361.db2.gz RITTZYWZXOGSPJ-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820391764 606196497 /nfs/dbraw/zinc/19/64/97/606196497.db2.gz QHIBBYOODHVNLZ-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM Cc1cccc(C)c1NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822293684 606295202 /nfs/dbraw/zinc/29/52/02/606295202.db2.gz HVSGGZLGUGZCQM-UHFFFAOYSA-N -1 1 338.371 2.240 20 0 EEADMM CCn1c(C)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000821563765 606296391 /nfs/dbraw/zinc/29/63/91/606296391.db2.gz DUGUGUCLZGDTEC-UHFFFAOYSA-N -1 1 326.360 2.263 20 0 EEADMM Cn1cncc1[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822704968 606463136 /nfs/dbraw/zinc/46/31/36/606463136.db2.gz TUXMVCPDWCXHCY-LLVKDONJSA-N -1 1 344.810 2.380 20 0 EEADMM Cn1cncc1[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822704968 606463137 /nfs/dbraw/zinc/46/31/37/606463137.db2.gz TUXMVCPDWCXHCY-LLVKDONJSA-N -1 1 344.810 2.380 20 0 EEADMM CC(C)[C@H]1OCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820047515 606471739 /nfs/dbraw/zinc/47/17/39/606471739.db2.gz ZFTOFKKKXARNLX-BDJLRTHQSA-N -1 1 339.403 2.283 20 0 EEADMM CC(C)[C@H]1OCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820047515 606471740 /nfs/dbraw/zinc/47/17/40/606471740.db2.gz ZFTOFKKKXARNLX-BDJLRTHQSA-N -1 1 339.403 2.283 20 0 EEADMM Cc1cccc(OCCN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822326819 606497128 /nfs/dbraw/zinc/49/71/28/606497128.db2.gz AXFLZAZCGBPFMC-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM Cc1cccc(OCCN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822326819 606497129 /nfs/dbraw/zinc/49/71/29/606497129.db2.gz AXFLZAZCGBPFMC-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM O=C(NCCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823197373 606499574 /nfs/dbraw/zinc/49/95/74/606499574.db2.gz STYGAKXBLBDGBC-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NCCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823197373 606499576 /nfs/dbraw/zinc/49/95/76/606499576.db2.gz STYGAKXBLBDGBC-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000823219908 606517294 /nfs/dbraw/zinc/51/72/94/606517294.db2.gz RTDRIQNNJKZZDY-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000823219908 606517295 /nfs/dbraw/zinc/51/72/95/606517295.db2.gz RTDRIQNNJKZZDY-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823082632 606531231 /nfs/dbraw/zinc/53/12/31/606531231.db2.gz NGBZNZIWYFRISI-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823082632 606531233 /nfs/dbraw/zinc/53/12/33/606531233.db2.gz NGBZNZIWYFRISI-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000821717593 606531583 /nfs/dbraw/zinc/53/15/83/606531583.db2.gz RIZUQFGHQPWHHD-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000821717593 606531584 /nfs/dbraw/zinc/53/15/84/606531584.db2.gz RIZUQFGHQPWHHD-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144362 606538431 /nfs/dbraw/zinc/53/84/31/606538431.db2.gz FOVWQTYOOWHOIK-MNOVXSKESA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144362 606538432 /nfs/dbraw/zinc/53/84/32/606538432.db2.gz FOVWQTYOOWHOIK-MNOVXSKESA-N -1 1 329.360 2.353 20 0 EEADMM CC[C@@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820868698 606750836 /nfs/dbraw/zinc/75/08/36/606750836.db2.gz BQSRZZJRKJRBHW-SECBINFHSA-N -1 1 333.392 2.106 20 0 EEADMM CCOC(=O)[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)C ZINC000821337466 606834825 /nfs/dbraw/zinc/83/48/25/606834825.db2.gz HBDQUBBCTCVPPO-LLVKDONJSA-N -1 1 338.799 2.305 20 0 EEADMM CCOC(=O)[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)(C)C ZINC000821337466 606834826 /nfs/dbraw/zinc/83/48/26/606834826.db2.gz HBDQUBBCTCVPPO-LLVKDONJSA-N -1 1 338.799 2.305 20 0 EEADMM CN(Cc1cc(Cl)cn1C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821607280 606873076 /nfs/dbraw/zinc/87/30/76/606873076.db2.gz HUTROKWZWBHARG-UHFFFAOYSA-N -1 1 336.808 2.192 20 0 EEADMM CN(Cc1cc(Cl)cn1C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821607280 606873077 /nfs/dbraw/zinc/87/30/77/606873077.db2.gz HUTROKWZWBHARG-UHFFFAOYSA-N -1 1 336.808 2.192 20 0 EEADMM CN(CCC1CCOCC1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821599526 606876132 /nfs/dbraw/zinc/87/61/32/606876132.db2.gz YRSSKOPMDNZOPS-UHFFFAOYSA-N -1 1 339.403 2.063 20 0 EEADMM CN(CCC1CCOCC1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821599526 606876134 /nfs/dbraw/zinc/87/61/34/606876134.db2.gz YRSSKOPMDNZOPS-UHFFFAOYSA-N -1 1 339.403 2.063 20 0 EEADMM Clc1ccc(NCCc2cnc(C3CC3)nc2)nc1-c1nnn[n-]1 ZINC000826352864 607904246 /nfs/dbraw/zinc/90/42/46/607904246.db2.gz QTLYIRJPXXTLLG-UHFFFAOYSA-N -1 1 342.794 2.237 20 0 EEADMM Clc1ccc(NCCc2cnc(C3CC3)nc2)nc1-c1nn[n-]n1 ZINC000826352864 607904247 /nfs/dbraw/zinc/90/42/47/607904247.db2.gz QTLYIRJPXXTLLG-UHFFFAOYSA-N -1 1 342.794 2.237 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942529 608005899 /nfs/dbraw/zinc/00/58/99/608005899.db2.gz FHOHHJUCMOWLOZ-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942529 608005900 /nfs/dbraw/zinc/00/59/00/608005900.db2.gz FHOHHJUCMOWLOZ-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM Cn1ncc(Nc2snc(Cl)c2-c2nnn[n-]2)c1C(F)F ZINC000826366658 608192963 /nfs/dbraw/zinc/19/29/63/608192963.db2.gz SGXYZBVKQUERAA-UHFFFAOYSA-N -1 1 332.727 2.391 20 0 EEADMM Cn1ncc(Nc2snc(Cl)c2-c2nn[n-]n2)c1C(F)F ZINC000826366658 608192964 /nfs/dbraw/zinc/19/29/64/608192964.db2.gz SGXYZBVKQUERAA-UHFFFAOYSA-N -1 1 332.727 2.391 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)C(F)(F)F ZINC000825148630 608232014 /nfs/dbraw/zinc/23/20/14/608232014.db2.gz RIWUEUUXVJDFHZ-MUWHJKNJSA-N -1 1 336.705 2.029 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)C(F)(F)F ZINC000825148630 608232015 /nfs/dbraw/zinc/23/20/15/608232015.db2.gz RIWUEUUXVJDFHZ-MUWHJKNJSA-N -1 1 336.705 2.029 20 0 EEADMM O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826451554 608315846 /nfs/dbraw/zinc/31/58/46/608315846.db2.gz LNCDGYUYWLWWCD-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccc(-c2ncco2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826451554 608315848 /nfs/dbraw/zinc/31/58/48/608315848.db2.gz LNCDGYUYWLWWCD-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM COc1cc(-c2nn[nH]n2)ccc1COC(=O)c1ccc([O-])cc1F ZINC000826172433 608322071 /nfs/dbraw/zinc/32/20/71/608322071.db2.gz GJOZYHCMHRFACZ-UHFFFAOYSA-N -1 1 344.302 2.077 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncc(Cl)n1C ZINC000824723845 608333331 /nfs/dbraw/zinc/33/33/31/608333331.db2.gz VJAZBKFZLLFKCL-ZCFIWIBFSA-N -1 1 338.780 2.233 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncc(Cl)n1C ZINC000824723845 608333332 /nfs/dbraw/zinc/33/33/32/608333332.db2.gz VJAZBKFZLLFKCL-ZCFIWIBFSA-N -1 1 338.780 2.233 20 0 EEADMM COc1ccc([C@@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826188194 608423016 /nfs/dbraw/zinc/42/30/16/608423016.db2.gz PYISIADXWXASSO-NSHDSACASA-N -1 1 325.376 2.271 20 0 EEADMM COc1ccc([C@@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826188194 608423017 /nfs/dbraw/zinc/42/30/17/608423017.db2.gz 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CCCCOC(=O)[C@H](C)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000163957621 1323569422 /nfs/dbraw/zinc/56/94/22/1323569422.db2.gz WFRSXCQOKUNIPL-JTQLQIEISA-N -1 1 335.372 2.116 20 0 EEADMM Nc1c(I)cnn1-c1cccc(Cl)c1[O-] ZINC001210216986 1325202415 /nfs/dbraw/zinc/20/24/15/1325202415.db2.gz QBDDGNRTQRZVRE-UHFFFAOYSA-N -1 1 335.532 2.418 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)s1 ZINC001608509447 1351707032 /nfs/dbraw/zinc/70/70/32/1351707032.db2.gz WZIZJQDDJWVQGQ-NXEZZACHSA-N -1 1 341.458 2.148 20 0 EEADMM C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590205747 1349200217 /nfs/dbraw/zinc/20/02/17/1349200217.db2.gz DYVXLVDZCBWQRF-APPZFPTMSA-N -1 1 328.298 2.260 20 0 EEADMM C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590205747 1349200222 /nfs/dbraw/zinc/20/02/22/1349200222.db2.gz DYVXLVDZCBWQRF-APPZFPTMSA-N -1 1 328.298 2.260 20 0 EEADMM CC[C@@H](C)n1ncc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001590418843 1349315910 /nfs/dbraw/zinc/31/59/10/1349315910.db2.gz VCNXFWAIZLJRBS-MRVPVSSYSA-N -1 1 347.404 2.156 20 0 EEADMM CC[C@@H](C)n1ncc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001590418843 1349315916 /nfs/dbraw/zinc/31/59/16/1349315916.db2.gz VCNXFWAIZLJRBS-MRVPVSSYSA-N -1 1 347.404 2.156 20 0 EEADMM FC(F)c1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)no1 ZINC001592626999 1349679920 /nfs/dbraw/zinc/67/99/20/1349679920.db2.gz OKTQIIDLCQKPRW-UHFFFAOYSA-N -1 1 344.285 2.348 20 0 EEADMM FC(F)c1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)no1 ZINC001592626999 1349679922 /nfs/dbraw/zinc/67/99/22/1349679922.db2.gz OKTQIIDLCQKPRW-UHFFFAOYSA-N -1 1 344.285 2.348 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592629910 1349680602 /nfs/dbraw/zinc/68/06/02/1349680602.db2.gz GGBHUKPLXHKLJZ-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM Cc1cc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)[nH]c1C(=O)[O-] ZINC001600192750 1349989437 /nfs/dbraw/zinc/98/94/37/1349989437.db2.gz SAMXUSCMKIWMBB-ZDUSSCGKSA-N -1 1 335.448 2.394 20 0 EEADMM Brc1ccccc1CCNc1ncncc1-c1nn[n-]n1 ZINC001602678435 1350572418 /nfs/dbraw/zinc/57/24/18/1350572418.db2.gz CMJLYQBJFUKEAD-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603584422 1350725225 /nfs/dbraw/zinc/72/52/25/1350725225.db2.gz BAJSPVDOYVOENU-SECBINFHSA-N -1 1 329.389 2.076 20 0 EEADMM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603584422 1350725227 /nfs/dbraw/zinc/72/52/27/1350725227.db2.gz BAJSPVDOYVOENU-SECBINFHSA-N -1 1 329.389 2.076 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001608561586 1351716425 /nfs/dbraw/zinc/71/64/25/1351716425.db2.gz MGVCURFROZOTOK-JWKOBGCHSA-N -1 1 330.167 2.224 20 0 EEADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC001604342213 1350920124 /nfs/dbraw/zinc/92/01/24/1350920124.db2.gz NMBOXESGTXLKEE-VXGBXAGGSA-N -1 1 327.384 2.169 20 0 EEADMM CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001604344018 1350920450 /nfs/dbraw/zinc/92/04/50/1350920450.db2.gz NAVUZJWXULNAIB-DOMZBBRYSA-N -1 1 329.404 2.345 20 0 EEADMM O=S(=O)(Oc1cccc(F)c1F)c1[n-]cnc1Br ZINC001309147353 1331618474 /nfs/dbraw/zinc/61/84/74/1331618474.db2.gz YEBKJTIFWSZDRF-UHFFFAOYSA-N -1 1 339.117 2.218 20 0 EEADMM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001309440606 1331629821 /nfs/dbraw/zinc/62/98/21/1331629821.db2.gz LFKOVFLIEHPIFO-SECBINFHSA-N -1 1 338.832 2.340 20 0 EEADMM O=C([O-])[C@H]1Cc2c(Br)cccc2CN1Cc1cnc[nH]1 ZINC001608651669 1351734217 /nfs/dbraw/zinc/73/42/17/1351734217.db2.gz DDPPYTPLXCPTJQ-CYBMUJFWSA-N -1 1 336.189 2.184 20 0 EEADMM O=C([O-])CC1(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1 ZINC001608677597 1351739685 /nfs/dbraw/zinc/73/96/85/1351739685.db2.gz CVAYMTZIHMLWNS-KRWDZBQOSA-N -1 1 342.439 2.291 20 0 EEADMM O=C([O-])CCN1CC[C@H](N[C@@H](c2ccc(F)cc2F)C2CC2)C1=O ZINC001608723761 1351749840 /nfs/dbraw/zinc/74/98/40/1351749840.db2.gz YLFGLULDWUSDNX-GOEBONIOSA-N -1 1 338.354 2.081 20 0 EEADMM O=C([O-])c1ccccc1OCCN[C@H](CO)c1cc(F)ccc1F ZINC001608948553 1351800875 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COc1cc(Cl)ccc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609345473 1351940028 /nfs/dbraw/zinc/94/00/28/1351940028.db2.gz YAXODZYZCUBYEG-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM C[C@@H]1CCN(C(=O)N[C@@H]2C=CCCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001329889762 1334733582 /nfs/dbraw/zinc/73/35/82/1334733582.db2.gz AWBLXCDIPVNVSW-UTUOFQBUSA-N -1 1 333.354 2.194 20 0 EEADMM COc1cc2c(cc1CNc1cccnc1-c1nnn[n-]1)O[C@H](C)C2 ZINC001609348858 1351941662 /nfs/dbraw/zinc/94/16/62/1351941662.db2.gz NYTOSQUBDCDNAG-SNVBAGLBSA-N -1 1 338.371 2.206 20 0 EEADMM COc1cc2c(cc1CNc1cccnc1-c1nn[n-]n1)O[C@H](C)C2 ZINC001609348858 1351941663 /nfs/dbraw/zinc/94/16/63/1351941663.db2.gz NYTOSQUBDCDNAG-SNVBAGLBSA-N -1 1 338.371 2.206 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001609403684 1351962467 /nfs/dbraw/zinc/96/24/67/1351962467.db2.gz SEPYIIWUUQKUMS-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001609403684 1351962469 /nfs/dbraw/zinc/96/24/69/1351962469.db2.gz SEPYIIWUUQKUMS-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](C)Oc1ccccc1C ZINC001609437186 1351977323 /nfs/dbraw/zinc/97/73/23/1351977323.db2.gz QAZJTYMTQBIWGB-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](C)Oc1ccccc1C ZINC001609437186 1351977325 /nfs/dbraw/zinc/97/73/25/1351977325.db2.gz QAZJTYMTQBIWGB-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(F)c2)c(C)c1 ZINC001609427878 1351972823 /nfs/dbraw/zinc/97/28/23/1351972823.db2.gz OJOBBULUFNYALO-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)cc1 ZINC001609428224 1351973165 /nfs/dbraw/zinc/97/31/65/1351973165.db2.gz NOAJXIZIKMLROG-UHFFFAOYSA-N -1 1 339.384 2.216 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC001609468034 1351988869 /nfs/dbraw/zinc/98/88/69/1351988869.db2.gz DRNWBWBPPBLGQY-SNVBAGLBSA-N -1 1 326.312 2.196 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C(=O)c1ccccc1 ZINC001609468034 1351988870 /nfs/dbraw/zinc/98/88/70/1351988870.db2.gz DRNWBWBPPBLGQY-SNVBAGLBSA-N -1 1 326.312 2.196 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc2c1cccc2Cl ZINC001609476699 1351991523 /nfs/dbraw/zinc/99/15/23/1351991523.db2.gz RWLGZWKJTMNMOT-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609491756 1351997923 /nfs/dbraw/zinc/99/79/23/1351997923.db2.gz DIXVJKANCSFILZ-XVKPBYJWSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609491756 1351997925 /nfs/dbraw/zinc/99/79/25/1351997925.db2.gz DIXVJKANCSFILZ-XVKPBYJWSA-N -1 1 331.742 2.417 20 0 EEADMM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609544612 1352011338 /nfs/dbraw/zinc/01/13/38/1352011338.db2.gz NXAVZIAIGZKKDH-AWEZNQCLSA-N -1 1 349.350 2.076 20 0 EEADMM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609544612 1352011343 /nfs/dbraw/zinc/01/13/43/1352011343.db2.gz NXAVZIAIGZKKDH-AWEZNQCLSA-N -1 1 349.350 2.076 20 0 EEADMM Cc1nn(-c2ccccn2)c(Cl)c1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC001332473819 1335831469 /nfs/dbraw/zinc/83/14/69/1335831469.db2.gz SODLEKPAQOEGRL-RYUDHWBXSA-N -1 1 332.791 2.348 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609574166 1352021727 /nfs/dbraw/zinc/02/17/27/1352021727.db2.gz KCUREVVRBNHQJM-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609574166 1352021731 /nfs/dbraw/zinc/02/17/31/1352021731.db2.gz KCUREVVRBNHQJM-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](C2CCCCC2)C1 ZINC001609581783 1352026630 /nfs/dbraw/zinc/02/66/30/1352026630.db2.gz HSCWPWGZYFTJPX-LBPRGKRZSA-N -1 1 347.444 2.350 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](C2CCCCC2)C1 ZINC001609581783 1352026632 /nfs/dbraw/zinc/02/66/32/1352026632.db2.gz HSCWPWGZYFTJPX-LBPRGKRZSA-N -1 1 347.444 2.350 20 0 EEADMM CCn1nc(C)c(CNCCC[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001333175258 1335976460 /nfs/dbraw/zinc/97/64/60/1335976460.db2.gz FAHXDADJRHUCBU-MRXNPFEDSA-N -1 1 330.432 2.420 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCC[C@H]1CCC1CCCC1 ZINC001609604190 1352033207 /nfs/dbraw/zinc/03/32/07/1352033207.db2.gz YGPCDBOYERFNCV-HNNXBMFYSA-N -1 1 342.447 2.421 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC[C@H]1CCC1CCCC1 ZINC001609604190 1352033211 /nfs/dbraw/zinc/03/32/11/1352033211.db2.gz YGPCDBOYERFNCV-HNNXBMFYSA-N -1 1 342.447 2.421 20 0 EEADMM CC(C)(C)N(CCOc1ccc(C(=O)[O-])cc1Cl)CC(N)=O ZINC001609657377 1352052125 /nfs/dbraw/zinc/05/21/25/1352052125.db2.gz NGGQLYFPDAWBAO-UHFFFAOYSA-N -1 1 328.796 2.003 20 0 EEADMM C[C@H](CN(CC(=O)NCc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC001609741827 1352074241 /nfs/dbraw/zinc/07/42/41/1352074241.db2.gz QWTDFKGUSAMJTO-CQSZACIVSA-N -1 1 330.384 2.119 20 0 EEADMM C[C@@H](NC(=O)CN[C@@H](C(=O)[O-])C1CC1)c1ccc2c(c1)CCCC2 ZINC001609764312 1352079343 /nfs/dbraw/zinc/07/93/43/1352079343.db2.gz KZSXXGOSCJMNTP-KZULUSFZSA-N -1 1 330.428 2.195 20 0 EEADMM C[C@H](c1ccc(Br)cc1)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001609809239 1352090776 /nfs/dbraw/zinc/09/07/76/1352090776.db2.gz WAAHJTCMUALRBD-SUZMYJTESA-N -1 1 328.206 2.278 20 0 EEADMM C[C@@H]1C[C@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)N1c1ccccc1 ZINC001609844438 1352099303 /nfs/dbraw/zinc/09/93/03/1352099303.db2.gz KLAAJUAXXPDBDW-DOMZBBRYSA-N -1 1 327.384 2.007 20 0 EEADMM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1OCC(=O)NC ZINC001609929808 1352122387 /nfs/dbraw/zinc/12/23/87/1352122387.db2.gz AKGRKECIPJAVSY-AWEZNQCLSA-N -1 1 346.383 2.344 20 0 EEADMM CCCn1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)cn1 ZINC001609987719 1352134906 /nfs/dbraw/zinc/13/49/06/1352134906.db2.gz KGOGUIYAFMLXHR-MRXNPFEDSA-N -1 1 333.388 2.226 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC1CCC(OC(F)F)CC1 ZINC001347674015 1337518393 /nfs/dbraw/zinc/51/83/93/1337518393.db2.gz HPOZUZRNQYQEQN-UHFFFAOYSA-N -1 1 333.360 2.060 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c(OC)c1 ZINC001348830885 1337581854 /nfs/dbraw/zinc/58/18/54/1337581854.db2.gz MWWMCUCCNMURHS-MRVPVSSYSA-N -1 1 349.412 2.288 20 0 EEADMM O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001350232853 1337685589 /nfs/dbraw/zinc/68/55/89/1337685589.db2.gz AKIWRLMPQBHSDQ-AWEZNQCLSA-N -1 1 337.383 2.408 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)n[nH]1 ZINC001610070361 1352154712 /nfs/dbraw/zinc/15/47/12/1352154712.db2.gz AWMUUAWAFVCVCL-VIFPVBQESA-N -1 1 347.375 2.094 20 0 EEADMM COC(=Cc1ccccc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847079512 1337862865 /nfs/dbraw/zinc/86/28/65/1337862865.db2.gz LTOMAZZRUZVHPT-LFGHMXSPSA-N -1 1 329.356 2.169 20 0 EEADMM CNC(=O)c1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001610143022 1352172423 /nfs/dbraw/zinc/17/24/23/1352172423.db2.gz KULCPACSWXOHIR-UHFFFAOYSA-N -1 1 339.395 2.307 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2cccc(-n3cncn3)c2)ccc1F ZINC001200509656 1338377219 /nfs/dbraw/zinc/37/72/19/1338377219.db2.gz KCYFVPRYZUAXMJ-UHFFFAOYSA-N -1 1 348.359 2.216 20 0 EEADMM COc1ccc([C@H](NCc2n[nH]c3ccccc23)C(=O)[O-])cc1O ZINC001610323215 1352205426 /nfs/dbraw/zinc/20/54/26/1352205426.db2.gz NOQPNVHMEHGCOD-INIZCTEOSA-N -1 1 327.340 2.193 20 0 EEADMM COc1ccc([C@H](NCc2[nH]nc3ccccc32)C(=O)[O-])cc1O ZINC001610323215 1352205430 /nfs/dbraw/zinc/20/54/30/1352205430.db2.gz NOQPNVHMEHGCOD-INIZCTEOSA-N -1 1 327.340 2.193 20 0 EEADMM COc1ccc([C@@H](NCc2n[nH]c3ccccc23)C(=O)[O-])cc1O ZINC001610323217 1352205692 /nfs/dbraw/zinc/20/56/92/1352205692.db2.gz NOQPNVHMEHGCOD-MRXNPFEDSA-N -1 1 327.340 2.193 20 0 EEADMM COc1ccc([C@@H](NCc2[nH]nc3ccccc32)C(=O)[O-])cc1O ZINC001610323217 1352205694 /nfs/dbraw/zinc/20/56/94/1352205694.db2.gz NOQPNVHMEHGCOD-MRXNPFEDSA-N -1 1 327.340 2.193 20 0 EEADMM Cc1cc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(C(=O)[O-])[nH]1 ZINC001610475466 1352228973 /nfs/dbraw/zinc/22/89/73/1352228973.db2.gz NTMSSXBIJBSCKH-UHFFFAOYSA-N -1 1 337.279 2.169 20 0 EEADMM Cc1cccc2nc(CNS(=O)(=O)c3cccc(C(=O)[O-])c3)[nH]c21 ZINC001610526402 1352238979 /nfs/dbraw/zinc/23/89/79/1352238979.db2.gz VNMFQFYJFHFMPC-UHFFFAOYSA-N -1 1 345.380 2.048 20 0 EEADMM Cc1sc(NC(=O)CN(C)C[C@H]2CCC[C@H]2O)c(C(=O)[O-])c1C ZINC001610590409 1352250339 /nfs/dbraw/zinc/25/03/39/1352250339.db2.gz BRLMPUYHXCTUQT-VXGBXAGGSA-N -1 1 340.445 2.094 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001610726686 1352265463 /nfs/dbraw/zinc/26/54/63/1352265463.db2.gz WKEAVZSIZQAYEN-DGCLKSJQSA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001610726686 1352265467 /nfs/dbraw/zinc/26/54/67/1352265467.db2.gz WKEAVZSIZQAYEN-DGCLKSJQSA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1 ZINC001610821575 1352280590 /nfs/dbraw/zinc/28/05/90/1352280590.db2.gz NVHYOEAGJRFTAB-LBPRGKRZSA-N -1 1 328.353 2.084 20 0 EEADMM O=C([O-])c1ccccc1CCN1CCN(c2ncccc2F)CC1 ZINC001610852197 1352286075 /nfs/dbraw/zinc/28/60/75/1352286075.db2.gz SKJXKMUFTLFJHB-UHFFFAOYSA-N -1 1 329.375 2.284 20 0 EEADMM O=C(CCC1CCCC1)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001429881328 1340046137 /nfs/dbraw/zinc/04/61/37/1340046137.db2.gz NTPAMYKDXGSZPS-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CCC[C@H](CC(C)C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431324420 1340550258 /nfs/dbraw/zinc/55/02/58/1340550258.db2.gz RIBPNNQTYMNUJZ-CQSZACIVSA-N -1 1 335.448 2.438 20 0 EEADMM Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(C)c1nn[n-]n1 ZINC001433523869 1341617719 /nfs/dbraw/zinc/61/77/19/1341617719.db2.gz FEWGVKQCFWAEEJ-UHFFFAOYSA-N -1 1 332.364 2.132 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC001433599822 1341634868 /nfs/dbraw/zinc/63/48/68/1341634868.db2.gz BBWMABSYSBOWIC-UHFFFAOYSA-N -1 1 336.369 2.025 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2cnc(SC)[n-]c2=O)c(C)c1 ZINC001433699557 1341662882 /nfs/dbraw/zinc/66/28/82/1341662882.db2.gz PIEKSIRRGDGCRT-UHFFFAOYSA-N -1 1 333.369 2.251 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC001433727569 1341670043 /nfs/dbraw/zinc/67/00/43/1341670043.db2.gz PLKVJAKQMXKERM-UHFFFAOYSA-N -1 1 328.324 2.008 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CCCC12CCOCC2 ZINC001553608728 1342354029 /nfs/dbraw/zinc/35/40/29/1342354029.db2.gz BPECOTUMIFHPOO-HUUCEWRRSA-N -1 1 341.415 2.002 20 0 EEADMM CC(C)Oc1cccnc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574342383 1343673946 /nfs/dbraw/zinc/67/39/46/1343673946.db2.gz XPMCVINLVAQNSK-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CCC1CCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001577161086 1344097142 /nfs/dbraw/zinc/09/71/42/1344097142.db2.gz LNYXTHRTSYRDJU-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM CCC1CCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001577161086 1344097145 /nfs/dbraw/zinc/09/71/45/1344097145.db2.gz LNYXTHRTSYRDJU-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM CCN(CC)c1nnc(C(C)C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577906294 1344212276 /nfs/dbraw/zinc/21/22/76/1344212276.db2.gz URSHAEVKXGPWQZ-UHFFFAOYSA-N -1 1 330.396 2.069 20 0 EEADMM CCN(CC)c1nnc(C(C)C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577906294 1344212279 /nfs/dbraw/zinc/21/22/79/1344212279.db2.gz URSHAEVKXGPWQZ-UHFFFAOYSA-N -1 1 330.396 2.069 20 0 EEADMM CCOC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001578256036 1344256097 /nfs/dbraw/zinc/25/60/97/1344256097.db2.gz XJXUIKGUFTVPMP-UHFFFAOYSA-N -1 1 347.356 2.259 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001580035189 1344452882 /nfs/dbraw/zinc/45/28/82/1344452882.db2.gz NPPMXLMUGQJLSZ-UHFFFAOYSA-N -1 1 327.319 2.291 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001580035189 1344452886 /nfs/dbraw/zinc/45/28/86/1344452886.db2.gz NPPMXLMUGQJLSZ-UHFFFAOYSA-N -1 1 327.319 2.291 20 0 EEADMM COc1ncc(NC(=O)NCC(C)(C)C2CCC2)cc1-c1nn[n-]n1 ZINC001580136057 1344478946 /nfs/dbraw/zinc/47/89/46/1344478946.db2.gz KLZYCHCSCJKQDU-UHFFFAOYSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccc(F)c1F ZINC001580557898 1344535624 /nfs/dbraw/zinc/53/56/24/1344535624.db2.gz NXHJHGXUBPJUEQ-UHFFFAOYSA-N -1 1 330.298 2.030 20 0 EEADMM Cc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccc(F)c1F ZINC001580557898 1344535628 /nfs/dbraw/zinc/53/56/28/1344535628.db2.gz NXHJHGXUBPJUEQ-UHFFFAOYSA-N -1 1 330.298 2.030 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001581173796 1344594658 /nfs/dbraw/zinc/59/46/58/1344594658.db2.gz BGQMZXBOGQXAMS-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001581173796 1344594663 /nfs/dbraw/zinc/59/46/63/1344594663.db2.gz BGQMZXBOGQXAMS-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC001581683665 1344653234 /nfs/dbraw/zinc/65/32/34/1344653234.db2.gz IHQRGVVDQNYKPS-JTQLQIEISA-N -1 1 344.425 2.287 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC001581683665 1344653237 /nfs/dbraw/zinc/65/32/37/1344653237.db2.gz IHQRGVVDQNYKPS-JTQLQIEISA-N -1 1 344.425 2.287 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1ccccc1 ZINC001582549478 1344761049 /nfs/dbraw/zinc/76/10/49/1344761049.db2.gz BNRVIVCWBQLKAG-OLZOCXBDSA-N -1 1 325.397 2.348 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC001582816999 1344796104 /nfs/dbraw/zinc/79/61/04/1344796104.db2.gz ULWIZUOGIGAKHR-OCCSQVGLSA-N -1 1 326.404 2.047 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC001582816999 1344796105 /nfs/dbraw/zinc/79/61/05/1344796105.db2.gz ULWIZUOGIGAKHR-OCCSQVGLSA-N -1 1 326.404 2.047 20 0 EEADMM c1c(N[C@@H]2CCC[C@]23CCCO3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001582816918 1344796901 /nfs/dbraw/zinc/79/69/01/1344796901.db2.gz UPJQIBNVGQPQLL-WBMJQRKESA-N -1 1 327.392 2.048 20 0 EEADMM c1c(N[C@@H]2CCC[C@]23CCCO3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001582816918 1344796911 /nfs/dbraw/zinc/79/69/11/1344796911.db2.gz UPJQIBNVGQPQLL-WBMJQRKESA-N -1 1 327.392 2.048 20 0 EEADMM CC(=O)c1c(C)cc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001588888958 1348942206 /nfs/dbraw/zinc/94/22/06/1348942206.db2.gz JXLJSMDNJAKIQC-UHFFFAOYSA-N -1 1 337.339 2.300 20 0 EEADMM CC(=O)c1c(C)cc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001588888958 1348942209 /nfs/dbraw/zinc/94/22/09/1348942209.db2.gz JXLJSMDNJAKIQC-UHFFFAOYSA-N -1 1 337.339 2.300 20 0 EEADMM CC(C)(C)C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589119728 1348962032 /nfs/dbraw/zinc/96/20/32/1348962032.db2.gz WXGHVEGQVSZCKA-VIFPVBQESA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589119728 1348962035 /nfs/dbraw/zinc/96/20/35/1348962035.db2.gz WXGHVEGQVSZCKA-VIFPVBQESA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@H](Cn2ccnc2-c2nnn[n-]2)C1 ZINC001589165702 1348966685 /nfs/dbraw/zinc/96/66/85/1348966685.db2.gz PIZKVXDCMBOJLC-GFCCVEGCSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@H](Cn2ccnc2-c2nn[n-]n2)C1 ZINC001589165702 1348966687 /nfs/dbraw/zinc/96/66/87/1348966687.db2.gz PIZKVXDCMBOJLC-GFCCVEGCSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)[C@@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)C1 ZINC001589508724 1348998511 /nfs/dbraw/zinc/99/85/11/1348998511.db2.gz GPXTYSNSVXWCHT-LLVKDONJSA-N -1 1 342.407 2.128 20 0 EEADMM CC(C)[C@@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)C1 ZINC001589508724 1348998513 /nfs/dbraw/zinc/99/85/13/1348998513.db2.gz GPXTYSNSVXWCHT-LLVKDONJSA-N -1 1 342.407 2.128 20 0 EEADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589507120 1348998584 /nfs/dbraw/zinc/99/85/84/1348998584.db2.gz BXLSONXLBVOUHI-QWRGUYRKSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589507120 1348998586 /nfs/dbraw/zinc/99/85/86/1348998586.db2.gz BXLSONXLBVOUHI-QWRGUYRKSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)CCOc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001589607861 1349011125 /nfs/dbraw/zinc/01/11/25/1349011125.db2.gz YVZAEZFCDJQUQM-UHFFFAOYSA-N -1 1 341.375 2.267 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001589758046 1349030901 /nfs/dbraw/zinc/03/09/01/1349030901.db2.gz BCZBYWQPFZODGU-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001589758046 1349030904 /nfs/dbraw/zinc/03/09/04/1349030904.db2.gz BCZBYWQPFZODGU-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1ccccc1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589758398 1349031522 /nfs/dbraw/zinc/03/15/22/1349031522.db2.gz JPBWYZXQAFIHNP-NSHDSACASA-N -1 1 325.376 2.039 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589803808 1349048005 /nfs/dbraw/zinc/04/80/05/1349048005.db2.gz RUMOORIMFGRCOM-JOYOIKCWSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589803808 1349048009 /nfs/dbraw/zinc/04/80/09/1349048009.db2.gz RUMOORIMFGRCOM-JOYOIKCWSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589821444 1349051177 /nfs/dbraw/zinc/05/11/77/1349051177.db2.gz RTLBAAUQYAEQRU-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589821444 1349051183 /nfs/dbraw/zinc/05/11/83/1349051183.db2.gz RTLBAAUQYAEQRU-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CCNc1cccc(-c2nnn[n-]2)n1)N(C)C(=O)OC(C)(C)C ZINC001589828826 1349051343 /nfs/dbraw/zinc/05/13/43/1349051343.db2.gz AMMFOONDHWJHGK-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM C[C@H](CCNc1cccc(-c2nn[n-]n2)n1)N(C)C(=O)OC(C)(C)C ZINC001589828826 1349051352 /nfs/dbraw/zinc/05/13/52/1349051352.db2.gz AMMFOONDHWJHGK-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589899579 1349057197 /nfs/dbraw/zinc/05/71/97/1349057197.db2.gz LKOFYRXIJVJONX-SECBINFHSA-N -1 1 331.763 2.474 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589899579 1349057200 /nfs/dbraw/zinc/05/72/00/1349057200.db2.gz LKOFYRXIJVJONX-SECBINFHSA-N -1 1 331.763 2.474 20 0 EEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590040589 1349122451 /nfs/dbraw/zinc/12/24/51/1349122451.db2.gz QCYJDGXUVZEBQC-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590040589 1349122456 /nfs/dbraw/zinc/12/24/56/1349122456.db2.gz QCYJDGXUVZEBQC-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM CC1(C)CCC[C@](O)(COC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001590095597 1349153020 /nfs/dbraw/zinc/15/30/20/1349153020.db2.gz BDIAXUHBKADSHP-OAHLLOKOSA-N -1 1 336.417 2.416 20 0 EEADMM CC1(C)CCC[C@](O)(COC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590095597 1349153023 /nfs/dbraw/zinc/15/30/23/1349153023.db2.gz BDIAXUHBKADSHP-OAHLLOKOSA-N -1 1 336.417 2.416 20 0 EEADMM CC1(C)CCc2onc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2C1 ZINC001590100946 1349156775 /nfs/dbraw/zinc/15/67/75/1349156775.db2.gz ULOPUNYQCMIJFG-UHFFFAOYSA-N -1 1 345.388 2.078 20 0 EEADMM CC1(C)CCc2onc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2C1 ZINC001590100946 1349156779 /nfs/dbraw/zinc/15/67/79/1349156779.db2.gz ULOPUNYQCMIJFG-UHFFFAOYSA-N -1 1 345.388 2.078 20 0 EEADMM C[C@@]1(Cc2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590141137 1349172968 /nfs/dbraw/zinc/17/29/68/1349172968.db2.gz BGLNQJFJWNOGOR-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@]1(Cc2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590141137 1349172974 /nfs/dbraw/zinc/17/29/74/1349172974.db2.gz BGLNQJFJWNOGOR-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@]1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCOc2ccccc21 ZINC001590146316 1349173300 /nfs/dbraw/zinc/17/33/00/1349173300.db2.gz AMMNXQVIRVJKAV-MRXNPFEDSA-N -1 1 341.396 2.356 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590151329 1349175682 /nfs/dbraw/zinc/17/56/82/1349175682.db2.gz BWBRHXVGCWAUHC-UHFFFAOYSA-N -1 1 348.410 2.041 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590151329 1349175689 /nfs/dbraw/zinc/17/56/89/1349175689.db2.gz BWBRHXVGCWAUHC-UHFFFAOYSA-N -1 1 348.410 2.041 20 0 EEADMM CC1CCC(C)(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590227112 1349212680 /nfs/dbraw/zinc/21/26/80/1349212680.db2.gz KROURISPDWOBPD-UHFFFAOYSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590246243 1349222594 /nfs/dbraw/zinc/22/25/94/1349222594.db2.gz BJBHFFZYAGDILH-APPDUMDISA-N -1 1 326.404 2.367 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590246243 1349222602 /nfs/dbraw/zinc/22/26/02/1349222602.db2.gz BJBHFFZYAGDILH-APPDUMDISA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@H]12 ZINC001590293082 1349247900 /nfs/dbraw/zinc/24/79/00/1349247900.db2.gz BPYSXNGNHWAOSO-WZRBSPASSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@H]12 ZINC001590293082 1349247911 /nfs/dbraw/zinc/24/79/11/1349247911.db2.gz BPYSXNGNHWAOSO-WZRBSPASSA-N -1 1 327.392 2.304 20 0 EEADMM CC[C@@H](C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001590370783 1349287280 /nfs/dbraw/zinc/28/72/80/1349287280.db2.gz KHCBJMQXIAIOIU-GFCCVEGCSA-N -1 1 343.366 2.180 20 0 EEADMM CC[C@@H](C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001590370783 1349287289 /nfs/dbraw/zinc/28/72/89/1349287289.db2.gz KHCBJMQXIAIOIU-GFCCVEGCSA-N -1 1 343.366 2.180 20 0 EEADMM CC[C@@](C)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590382557 1349295959 /nfs/dbraw/zinc/29/59/59/1349295959.db2.gz OSVBPCFFRCJJIX-GOSISDBHSA-N -1 1 336.399 2.246 20 0 EEADMM CC[C@@](C)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590382557 1349295963 /nfs/dbraw/zinc/29/59/63/1349295963.db2.gz OSVBPCFFRCJJIX-GOSISDBHSA-N -1 1 336.399 2.246 20 0 EEADMM CC[C@@H](C)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590400389 1349302654 /nfs/dbraw/zinc/30/26/54/1349302654.db2.gz QQJZACKWAHBFNS-MFKMUULPSA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@@H](C)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590400389 1349302661 /nfs/dbraw/zinc/30/26/61/1349302661.db2.gz QQJZACKWAHBFNS-MFKMUULPSA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@H](C)C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC ZINC001590405028 1349307094 /nfs/dbraw/zinc/30/70/94/1349307094.db2.gz UVUMHDSSMQDEKH-BQBZGAKWSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@H](C)C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC ZINC001590405028 1349307099 /nfs/dbraw/zinc/30/70/99/1349307099.db2.gz UVUMHDSSMQDEKH-BQBZGAKWSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001590460152 1349336607 /nfs/dbraw/zinc/33/66/07/1349336607.db2.gz XKHOBHIXEGWWIZ-LLVKDONJSA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001590460152 1349336613 /nfs/dbraw/zinc/33/66/13/1349336613.db2.gz XKHOBHIXEGWWIZ-LLVKDONJSA-N -1 1 348.370 2.019 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590539135 1349364908 /nfs/dbraw/zinc/36/49/08/1349364908.db2.gz ZKSLCMHUBHYDIX-UHFFFAOYSA-N -1 1 337.387 2.034 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590539135 1349364915 /nfs/dbraw/zinc/36/49/15/1349364915.db2.gz ZKSLCMHUBHYDIX-UHFFFAOYSA-N -1 1 337.387 2.034 20 0 EEADMM CCCCC[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590591145 1349375192 /nfs/dbraw/zinc/37/51/92/1349375192.db2.gz YPPHEGWQATZRSV-JTQLQIEISA-N -1 1 338.389 2.207 20 0 EEADMM CCCCC[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590591145 1349375197 /nfs/dbraw/zinc/37/51/97/1349375197.db2.gz YPPHEGWQATZRSV-JTQLQIEISA-N -1 1 338.389 2.207 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001590929064 1349416209 /nfs/dbraw/zinc/41/62/09/1349416209.db2.gz NQODDOIFCSLQCF-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001590929064 1349416214 /nfs/dbraw/zinc/41/62/14/1349416214.db2.gz NQODDOIFCSLQCF-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM COC(=O)c1sc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1C ZINC001591309481 1349460461 /nfs/dbraw/zinc/46/04/61/1349460461.db2.gz QZYGYXLZICAJAG-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COC(=O)c1sc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1C ZINC001591309481 1349460476 /nfs/dbraw/zinc/46/04/76/1349460476.db2.gz QZYGYXLZICAJAG-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC001591614388 1349514688 /nfs/dbraw/zinc/51/46/88/1349514688.db2.gz QMHWDFODRKYCKY-UHFFFAOYSA-N -1 1 348.363 2.398 20 0 EEADMM COc1ccccc1[C@@H](C)N(OC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591646631 1349525066 /nfs/dbraw/zinc/52/50/66/1349525066.db2.gz QWCJSHLBXGWNKP-SNVBAGLBSA-N -1 1 343.343 2.233 20 0 EEADMM COc1ccccc1[C@@H](C)N(OC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591646631 1349525071 /nfs/dbraw/zinc/52/50/71/1349525071.db2.gz QWCJSHLBXGWNKP-SNVBAGLBSA-N -1 1 343.343 2.233 20 0 EEADMM Cc1cc([C@](C)(O)CNc2nc(-c3nn[n-]n3)ccc2C)c(C)o1 ZINC001591938952 1349563499 /nfs/dbraw/zinc/56/34/99/1349563499.db2.gz CZUWKWYRIZEFLX-MRXNPFEDSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cnc1C ZINC001592030065 1349584815 /nfs/dbraw/zinc/58/48/15/1349584815.db2.gz IKJZVKVWPDJJSK-UHFFFAOYSA-N -1 1 330.298 2.409 20 0 EEADMM Cc1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cnc1C ZINC001592030065 1349584819 /nfs/dbraw/zinc/58/48/19/1349584819.db2.gz IKJZVKVWPDJJSK-UHFFFAOYSA-N -1 1 330.298 2.409 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592043139 1349587090 /nfs/dbraw/zinc/58/70/90/1349587090.db2.gz BBMASQIJLVKAOU-SCZZXKLOSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592043139 1349587095 /nfs/dbraw/zinc/58/70/95/1349587095.db2.gz BBMASQIJLVKAOU-SCZZXKLOSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001592110683 1349592046 /nfs/dbraw/zinc/59/20/46/1349592046.db2.gz SEJUOHNXMRKVJP-ZIAGYGMSSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccc2[nH]cc(CCNc3nc(C)cc(-c4nnn[n-]4)n3)c2c1 ZINC001592198286 1349605036 /nfs/dbraw/zinc/60/50/36/1349605036.db2.gz HGYSXWAEPTVPKO-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1ccc2[nH]cc(CCNc3nc(C)cc(-c4nn[n-]n4)n3)c2c1 ZINC001592198286 1349605045 /nfs/dbraw/zinc/60/50/45/1349605045.db2.gz HGYSXWAEPTVPKO-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1cncc(C=CC(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001592299256 1349617051 /nfs/dbraw/zinc/61/70/51/1349617051.db2.gz SATIKEXVODCGAF-NSCUHMNNSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1cncc(C=CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001592299256 1349617054 /nfs/dbraw/zinc/61/70/54/1349617054.db2.gz SATIKEXVODCGAF-NSCUHMNNSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nc(NCCc2csc(C(C)(C)C)n2)cc(-c2nnn[n-]2)n1 ZINC001592393481 1349627272 /nfs/dbraw/zinc/62/72/72/1349627272.db2.gz UIKSOZMMUWKGMA-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1nc(NCCc2csc(C(C)(C)C)n2)cc(-c2nn[n-]n2)n1 ZINC001592393481 1349627280 /nfs/dbraw/zinc/62/72/80/1349627280.db2.gz UIKSOZMMUWKGMA-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1nn(C(C)C)cc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592428984 1349629586 /nfs/dbraw/zinc/62/95/86/1349629586.db2.gz CJXJWAYOACZVLV-UHFFFAOYSA-N -1 1 332.389 2.371 20 0 EEADMM Cc1nsc(N2CCC=C(c3ccccn3)C2)c1-c1nn[n-]n1 ZINC001592475221 1349634569 /nfs/dbraw/zinc/63/45/69/1349634569.db2.gz VEMGTJDHMPIRDM-UHFFFAOYSA-N -1 1 325.401 2.320 20 0 EEADMM Cc1nsc(N[C@@H](C)CNC(=O)/C=C\C(C)(C)C)c1-c1nn[n-]n1 ZINC001592484661 1349636841 /nfs/dbraw/zinc/63/68/41/1349636841.db2.gz QJCOZDKJMNOIEB-NMTCXDENSA-N -1 1 349.464 2.151 20 0 EEADMM Cc1nsc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001592487104 1349636924 /nfs/dbraw/zinc/63/69/24/1349636924.db2.gz XHCPMSUUZXZSKM-VXGBXAGGSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC001592496493 1349637241 /nfs/dbraw/zinc/63/72/41/1349637241.db2.gz FXAOBAFSMMWDRG-ZDUSSCGKSA-N -1 1 327.319 2.494 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC001592496493 1349637242 /nfs/dbraw/zinc/63/72/42/1349637242.db2.gz FXAOBAFSMMWDRG-ZDUSSCGKSA-N -1 1 327.319 2.494 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC001592502488 1349640052 /nfs/dbraw/zinc/64/00/52/1349640052.db2.gz SXJGZEIATSITGP-WPRPVWTQSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]([C@@H]1CCCO1)C(F)(F)F ZINC001592502488 1349640054 /nfs/dbraw/zinc/64/00/54/1349640054.db2.gz SXJGZEIATSITGP-WPRPVWTQSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCCC2(C)C)c1-c1nnn[n-]1 ZINC001592516654 1349644361 /nfs/dbraw/zinc/64/43/61/1349644361.db2.gz ASDUFOGIDSYLQD-NSHDSACASA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H]2CCCC2(C)C)c1-c1nn[n-]n1 ZINC001592516654 1349644366 /nfs/dbraw/zinc/64/43/66/1349644366.db2.gz ASDUFOGIDSYLQD-NSHDSACASA-N -1 1 332.408 2.038 20 0 EEADMM Clc1cccc2c(CCNc3ncncc3-c3nn[n-]n3)c[nH]c21 ZINC001592535312 1349650516 /nfs/dbraw/zinc/65/05/16/1349650516.db2.gz TVWMTKLLLSZDFD-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1nc(N2CCC[C@@H](c3ccncn3)C2)sc1-c1nnn[n-]1 ZINC001592541140 1349652629 /nfs/dbraw/zinc/65/26/29/1349652629.db2.gz UORWGEHPXIPROO-MRVPVSSYSA-N -1 1 348.823 2.151 20 0 EEADMM Clc1nc(N2CCC[C@@H](c3ccncn3)C2)sc1-c1nn[n-]n1 ZINC001592541140 1349652635 /nfs/dbraw/zinc/65/26/35/1349652635.db2.gz UORWGEHPXIPROO-MRVPVSSYSA-N -1 1 348.823 2.151 20 0 EEADMM Clc1sc(N2CC[C@@H](c3cccnc3)C2)nc1-c1nn[n-]n1 ZINC001592541496 1349654190 /nfs/dbraw/zinc/65/41/90/1349654190.db2.gz AIHFRCKDUBLZND-SECBINFHSA-N -1 1 333.808 2.366 20 0 EEADMM FC(F)(F)c1cc(NCC[C@@H]2CCOC2)nc(-c2nnn[n-]2)c1 ZINC001592618266 1349673612 /nfs/dbraw/zinc/67/36/12/1349673612.db2.gz NHZJGMNPLRZREJ-MRVPVSSYSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cc(NCC[C@@H]2CCOC2)nc(-c2nn[n-]n2)c1 ZINC001592618266 1349673617 /nfs/dbraw/zinc/67/36/17/1349673617.db2.gz NHZJGMNPLRZREJ-MRVPVSSYSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1ccc(SCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001592621029 1349675158 /nfs/dbraw/zinc/67/51/58/1349675158.db2.gz MVQLNNIHIKTUFR-UHFFFAOYSA-N -1 1 345.335 2.424 20 0 EEADMM FC(F)(F)c1ccc(SCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001592621029 1349675164 /nfs/dbraw/zinc/67/51/64/1349675164.db2.gz MVQLNNIHIKTUFR-UHFFFAOYSA-N -1 1 345.335 2.424 20 0 EEADMM FCC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCOCC1 ZINC001592632450 1349681987 /nfs/dbraw/zinc/68/19/87/1349681987.db2.gz XCWQITLDUQQGCO-UHFFFAOYSA-N -1 1 326.763 2.093 20 0 EEADMM FCC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCOCC1 ZINC001592632450 1349681997 /nfs/dbraw/zinc/68/19/97/1349681997.db2.gz XCWQITLDUQQGCO-UHFFFAOYSA-N -1 1 326.763 2.093 20 0 EEADMM Fc1cc(Nc2cncc(-c3nnn[n-]3)n2)ccc1N1CCCC1 ZINC001592643777 1349690262 /nfs/dbraw/zinc/69/02/62/1349690262.db2.gz ZWXLULPLPKMENV-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM Fc1cc(Nc2cncc(-c3nn[n-]n3)n2)ccc1N1CCCC1 ZINC001592643777 1349690265 /nfs/dbraw/zinc/69/02/65/1349690265.db2.gz ZWXLULPLPKMENV-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM Fc1ccc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c(F)c1 ZINC001592648384 1349692570 /nfs/dbraw/zinc/69/25/70/1349692570.db2.gz JNVAHZWSSCTAIR-AWEZNQCLSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c(F)c1 ZINC001592648384 1349692576 /nfs/dbraw/zinc/69/25/76/1349692576.db2.gz JNVAHZWSSCTAIR-AWEZNQCLSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001592647383 1349693157 /nfs/dbraw/zinc/69/31/57/1349693157.db2.gz RGPZZAUUFUFVGU-OLZOCXBDSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647383 1349693160 /nfs/dbraw/zinc/69/31/60/1349693160.db2.gz RGPZZAUUFUFVGU-OLZOCXBDSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)c1F ZINC001592654650 1349698452 /nfs/dbraw/zinc/69/84/52/1349698452.db2.gz KJOYCWRPYLVJIQ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)c1F ZINC001592654650 1349698456 /nfs/dbraw/zinc/69/84/56/1349698456.db2.gz KJOYCWRPYLVJIQ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)c1 ZINC001592654764 1349700154 /nfs/dbraw/zinc/70/01/54/1349700154.db2.gz MAVJCSPBICGVTJ-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)c1 ZINC001592654764 1349700160 /nfs/dbraw/zinc/70/01/60/1349700160.db2.gz MAVJCSPBICGVTJ-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc(O[C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001592658149 1349702364 /nfs/dbraw/zinc/70/23/64/1349702364.db2.gz LAFDEQAJHXPMTB-AWEZNQCLSA-N -1 1 326.335 2.059 20 0 EEADMM Fc1cccc(O[C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001592658149 1349702368 /nfs/dbraw/zinc/70/23/68/1349702368.db2.gz LAFDEQAJHXPMTB-AWEZNQCLSA-N -1 1 326.335 2.059 20 0 EEADMM O=C(C=Cc1ccccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592798556 1349714682 /nfs/dbraw/zinc/71/46/82/1349714682.db2.gz AIFQRJJGHNRFKY-YVMONPNESA-N -1 1 329.360 2.397 20 0 EEADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592950073 1349729861 /nfs/dbraw/zinc/72/98/61/1349729861.db2.gz RQPFOYOVVGCPJV-OAHLLOKOSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592950073 1349729865 /nfs/dbraw/zinc/72/98/65/1349729865.db2.gz RQPFOYOVVGCPJV-OAHLLOKOSA-N -1 1 326.404 2.350 20 0 EEADMM O=C([N-][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)C(F)F ZINC001592982874 1349731686 /nfs/dbraw/zinc/73/16/86/1349731686.db2.gz ODGRXFBAFCXKLP-SNVBAGLBSA-N -1 1 343.284 2.261 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc2ncccc2c1 ZINC001593137259 1349739596 /nfs/dbraw/zinc/73/95/96/1349739596.db2.gz SZPLNTJNSZMZJY-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(OC[C@H]1CCc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC001593286528 1349764236 /nfs/dbraw/zinc/76/42/36/1349764236.db2.gz IUGJGACTUVGJTM-SNVBAGLBSA-N -1 1 327.369 2.210 20 0 EEADMM O=C(OC[C@H]1CCc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC001593286528 1349764239 /nfs/dbraw/zinc/76/42/39/1349764239.db2.gz IUGJGACTUVGJTM-SNVBAGLBSA-N -1 1 327.369 2.210 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1ccnc(OC2CCC2)c1 ZINC001593297391 1349770662 /nfs/dbraw/zinc/77/06/62/1349770662.db2.gz HXSBAHJXHIDYCV-UHFFFAOYSA-N -1 1 341.327 2.143 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1ccnc(OC2CCC2)c1 ZINC001593297391 1349770667 /nfs/dbraw/zinc/77/06/67/1349770667.db2.gz HXSBAHJXHIDYCV-UHFFFAOYSA-N -1 1 341.327 2.143 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc2[nH]ccc2s1 ZINC001593301073 1349773200 /nfs/dbraw/zinc/77/32/00/1349773200.db2.gz ACUTWPWCVUFBIA-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc2[nH]ccc2s1 ZINC001593301073 1349773204 /nfs/dbraw/zinc/77/32/04/1349773204.db2.gz ACUTWPWCVUFBIA-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc2C1 ZINC001593461232 1349802411 /nfs/dbraw/zinc/80/24/11/1349802411.db2.gz SCRPSPCEKCWDGH-OYLFLEFRSA-N -1 1 339.424 2.068 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC001593461232 1349802417 /nfs/dbraw/zinc/80/24/17/1349802417.db2.gz SCRPSPCEKCWDGH-OYLFLEFRSA-N -1 1 339.424 2.068 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(F)cc1)CCCC2 ZINC001593491096 1349817313 /nfs/dbraw/zinc/81/73/13/1349817313.db2.gz WQBQARPPHIILBZ-UHFFFAOYSA-N -1 1 325.347 2.095 20 0 EEADMM c1ccc(O[C@H]2CCOC2)c(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001593557164 1349847726 /nfs/dbraw/zinc/84/77/26/1349847726.db2.gz LUFJFMCNPNQALU-ZDUSSCGKSA-N -1 1 338.371 2.042 20 0 EEADMM c1ccc(O[C@H]2CCOC2)c(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001593557164 1349847730 /nfs/dbraw/zinc/84/77/30/1349847730.db2.gz LUFJFMCNPNQALU-ZDUSSCGKSA-N -1 1 338.371 2.042 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCO[C@@H](C2CCC2)C1 ZINC001593579693 1349861007 /nfs/dbraw/zinc/86/10/07/1349861007.db2.gz BAEFLWURRGFXAB-QGZVFWFLSA-N -1 1 336.399 2.420 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCO[C@@H](C2CCC2)C1 ZINC001593579693 1349861012 /nfs/dbraw/zinc/86/10/12/1349861012.db2.gz BAEFLWURRGFXAB-QGZVFWFLSA-N -1 1 336.399 2.420 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3ccc(-c4nnn[n-]4)nn3)CC1)O2 ZINC001593580995 1349862291 /nfs/dbraw/zinc/86/22/91/1349862291.db2.gz JMSAMAJPBZQHNS-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3ccc(-c4nn[n-]n4)nn3)CC1)O2 ZINC001593580995 1349862294 /nfs/dbraw/zinc/86/22/94/1349862294.db2.gz JMSAMAJPBZQHNS-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1ccc2c(c1)cccc2[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001593581768 1349863314 /nfs/dbraw/zinc/86/33/14/1349863314.db2.gz VEKNPKVUPGSFTB-LSDHHAIUSA-N -1 1 329.367 2.200 20 0 EEADMM Cc1cc(C)c2c(c1)CCN([C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC001600165114 1349983972 /nfs/dbraw/zinc/98/39/72/1349983972.db2.gz RFTBCIFHSWSWDI-HNNXBMFYSA-N -1 1 344.455 2.373 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC001600362482 1350030649 /nfs/dbraw/zinc/03/06/49/1350030649.db2.gz IOVJYBQAHXOYDH-UHFFFAOYSA-N -1 1 332.381 2.378 20 0 EEADMM Cc1ccc([C@H](N)C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001600380094 1350034968 /nfs/dbraw/zinc/03/49/68/1350034968.db2.gz CRFNGJMJXWDLIU-INIZCTEOSA-N -1 1 339.395 2.282 20 0 EEADMM Cc1ccc(CNCc2ccc(C(=O)[O-])n2C)c(O[C@H]2CCOC2)c1 ZINC001600419990 1350046996 /nfs/dbraw/zinc/04/69/96/1350046996.db2.gz OUNRRAFSLICGLY-INIZCTEOSA-N -1 1 344.411 2.489 20 0 EEADMM Cc1ccc(F)c2[nH]c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc21 ZINC001600430437 1350049577 /nfs/dbraw/zinc/04/95/77/1350049577.db2.gz LREAWQJNJVPSEC-LBPRGKRZSA-N -1 1 347.390 2.236 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(N(C)C)n1 ZINC001600463591 1350058112 /nfs/dbraw/zinc/05/81/12/1350058112.db2.gz XNNZTLBOGIJQBQ-UHFFFAOYSA-N -1 1 349.412 2.263 20 0 EEADMM Cc1c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])sc2nccc(C)c12 ZINC001600603479 1350095426 /nfs/dbraw/zinc/09/54/26/1350095426.db2.gz JAVUDSXWJDYWMG-NSHDSACASA-N -1 1 344.396 2.062 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC001600642250 1350104742 /nfs/dbraw/zinc/10/47/42/1350104742.db2.gz KPTMUBIWDZYOTQ-NSHDSACASA-N -1 1 336.413 2.309 20 0 EEADMM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C[C@@](C)(O)C(=O)[O-] ZINC001600784004 1350135892 /nfs/dbraw/zinc/13/58/92/1350135892.db2.gz BYNGIZDZYXNCPK-BLLLJJGKSA-N -1 1 343.855 2.473 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)[nH]1 ZINC001600799416 1350140015 /nfs/dbraw/zinc/14/00/15/1350140015.db2.gz PJQJAMNFCOGHJE-SNVBAGLBSA-N -1 1 348.428 2.497 20 0 EEADMM Cc1oc(CN(C)Cc2ccccc2-n2cncn2)cc1C(=O)[O-] ZINC001600843119 1350149734 /nfs/dbraw/zinc/14/97/34/1350149734.db2.gz HWOLANWPFBYMIT-UHFFFAOYSA-N -1 1 326.356 2.499 20 0 EEADMM Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001600982742 1350182436 /nfs/dbraw/zinc/18/24/36/1350182436.db2.gz KJBAJGYKCXCSFG-CHYADLBTSA-N -1 1 345.399 2.057 20 0 EEADMM O=C([O-])c1cccc(CC(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC001601363989 1350267052 /nfs/dbraw/zinc/26/70/52/1350267052.db2.gz UFBYEDYLDYIHFH-GOSISDBHSA-N -1 1 338.407 2.318 20 0 EEADMM O=C([O-])c1csc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC001601585675 1350313482 /nfs/dbraw/zinc/31/34/82/1350313482.db2.gz RZSKYHVZQZPNCA-GHMZBOCLSA-N -1 1 341.458 2.148 20 0 EEADMM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC001601615040 1350320021 /nfs/dbraw/zinc/32/00/21/1350320021.db2.gz BVKXDNUTCAUDKJ-KBPBESRZSA-N -1 1 335.429 2.086 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cccc4[nH]ncc43)nc2C1 ZINC001601630484 1350323948 /nfs/dbraw/zinc/32/39/48/1350323948.db2.gz DVEBMTULKJZSKJ-MRVPVSSYSA-N -1 1 342.380 2.461 20 0 EEADMM O=C([O-])[C@H](N[C@@H]1CCC2(C[C@H]1F)OCCO2)c1ccccc1F ZINC001601665794 1350332346 /nfs/dbraw/zinc/33/23/46/1350332346.db2.gz GULFHTYBGHKETR-MGPQQGTHSA-N -1 1 327.327 2.175 20 0 EEADMM O=C([O-])[C@]1(N2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)CCOC1 ZINC001601718162 1350347058 /nfs/dbraw/zinc/34/70/58/1350347058.db2.gz CZTGLHSWHQPMAT-MJGOQNOKSA-N -1 1 348.418 2.064 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001601746832 1350354072 /nfs/dbraw/zinc/35/40/72/1350354072.db2.gz QVXOFULADWKHCF-AWEZNQCLSA-N -1 1 344.289 2.391 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1(F)F ZINC001601753928 1350357419 /nfs/dbraw/zinc/35/74/19/1350357419.db2.gz ZDLIZCJEILCTKS-ZIAGYGMSSA-N -1 1 344.789 2.424 20 0 EEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc3c2OCCC3)c1 ZINC001602140497 1350449103 /nfs/dbraw/zinc/44/91/03/1350449103.db2.gz CSCUAWAMAKLHLH-UHFFFAOYSA-N -1 1 347.392 2.440 20 0 EEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccnc(Cl)c2)c1 ZINC001602274517 1350483638 /nfs/dbraw/zinc/48/36/38/1350483638.db2.gz SZKGCKJBDQAPRO-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)oc1Cl ZINC001602295120 1350487156 /nfs/dbraw/zinc/48/71/56/1350487156.db2.gz XCCSHDLJMVVCLW-LURJTMIESA-N -1 1 343.735 2.487 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@H](c1nnc[nH]1)C1CCCCC1 ZINC001602310547 1350490303 /nfs/dbraw/zinc/49/03/03/1350490303.db2.gz KGFBAUNSCUGBLM-DOMZBBRYSA-N -1 1 344.419 2.446 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CN2CCC(N3CCNC3=O)CC2)c1 ZINC001602358145 1350503160 /nfs/dbraw/zinc/50/31/60/1350503160.db2.gz PWFYXMTXRQEVQK-UHFFFAOYSA-N -1 1 337.807 2.028 20 0 EEADMM O=C([O-])c1cn(CCN[C@@H](c2ccccc2)c2ccc(F)cc2)nn1 ZINC001602503460 1350533247 /nfs/dbraw/zinc/53/32/47/1350533247.db2.gz YMCSRWITSMZJNT-KRWDZBQOSA-N -1 1 340.358 2.495 20 0 EEADMM O=C([O-])c1sccc1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC001602594590 1350553213 /nfs/dbraw/zinc/55/32/13/1350553213.db2.gz JENAHNYDJZCJTA-UHFFFAOYSA-N -1 1 342.420 2.404 20 0 EEADMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cc(C)c(C(=O)[O-])[nH]2)C1 ZINC001603058020 1350629375 /nfs/dbraw/zinc/62/93/75/1350629375.db2.gz IZNFFFLFZLTZJL-GFCCVEGCSA-N -1 1 345.403 2.082 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001603116929 1350643672 /nfs/dbraw/zinc/64/36/72/1350643672.db2.gz HBLKTDTZJNCSCE-MRXNPFEDSA-N -1 1 338.415 2.127 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001603116929 1350643676 /nfs/dbraw/zinc/64/36/76/1350643676.db2.gz HBLKTDTZJNCSCE-MRXNPFEDSA-N -1 1 338.415 2.127 20 0 EEADMM C[C@@H](NC(=O)c1ccc(CN(C)C)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239625 1350669267 /nfs/dbraw/zinc/66/92/67/1350669267.db2.gz SATIJCVSFLYPBF-BYCMXARLSA-N -1 1 333.432 2.008 20 0 EEADMM C[C@H](NC(=O)c1ccc(CN(C)C)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239626 1350669367 /nfs/dbraw/zinc/66/93/67/1350669367.db2.gz SATIJCVSFLYPBF-TUKIKUTGSA-N -1 1 333.432 2.008 20 0 EEADMM CC(C)CCNC(=O)[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001603283763 1350679834 /nfs/dbraw/zinc/67/98/34/1350679834.db2.gz WZGFULKZKADMIN-SECBINFHSA-N -1 1 340.478 2.107 20 0 EEADMM CC(C)CCNC(=O)[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001603283763 1350679837 /nfs/dbraw/zinc/67/98/37/1350679837.db2.gz WZGFULKZKADMIN-SECBINFHSA-N -1 1 340.478 2.107 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001603447949 1350706527 /nfs/dbraw/zinc/70/65/27/1350706527.db2.gz BDLIBRSOPNKJCR-SECBINFHSA-N -1 1 346.391 2.272 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001603447949 1350706531 /nfs/dbraw/zinc/70/65/31/1350706531.db2.gz BDLIBRSOPNKJCR-SECBINFHSA-N -1 1 346.391 2.272 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001603447950 1350706581 /nfs/dbraw/zinc/70/65/81/1350706581.db2.gz BDLIBRSOPNKJCR-VIFPVBQESA-N -1 1 346.391 2.272 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001603447950 1350706586 /nfs/dbraw/zinc/70/65/86/1350706586.db2.gz BDLIBRSOPNKJCR-VIFPVBQESA-N -1 1 346.391 2.272 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC001603582611 1350724795 /nfs/dbraw/zinc/72/47/95/1350724795.db2.gz YJZJJKGOWSZHFE-KRWDZBQOSA-N -1 1 342.399 2.170 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@H]1[C@H]1CCCO1 ZINC001603788682 1350768438 /nfs/dbraw/zinc/76/84/38/1350768438.db2.gz APNCVPNIARLSQF-APPZFPTMSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@H]1[C@H]1CCCO1 ZINC001603788682 1350768442 /nfs/dbraw/zinc/76/84/42/1350768442.db2.gz APNCVPNIARLSQF-APPZFPTMSA-N -1 1 340.840 2.370 20 0 EEADMM CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001603816405 1350775031 /nfs/dbraw/zinc/77/50/31/1350775031.db2.gz OCIUEGRBPNNFTJ-ZDUSSCGKSA-N -1 1 339.363 2.038 20 0 EEADMM CC(C)CN1CCO[C@H](COC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001603816405 1350775036 /nfs/dbraw/zinc/77/50/36/1350775036.db2.gz OCIUEGRBPNNFTJ-ZDUSSCGKSA-N -1 1 339.363 2.038 20 0 EEADMM C[C@@H]1CC(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)O1 ZINC001603847265 1350782164 /nfs/dbraw/zinc/78/21/64/1350782164.db2.gz OKQQLTIVKBWGBI-NXEZZACHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1CC(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)O1 ZINC001603847265 1350782169 /nfs/dbraw/zinc/78/21/69/1350782169.db2.gz OKQQLTIVKBWGBI-NXEZZACHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001603868724 1350786818 /nfs/dbraw/zinc/78/68/18/1350786818.db2.gz YRMXRLZVRWSAHS-CJNGLKHVSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001603868724 1350786823 /nfs/dbraw/zinc/78/68/23/1350786823.db2.gz YRMXRLZVRWSAHS-CJNGLKHVSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)n2)c2cccc(F)c2O1 ZINC001603936745 1350807511 /nfs/dbraw/zinc/80/75/11/1350807511.db2.gz VSFIGYUMJOREBG-JTQLQIEISA-N -1 1 326.335 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/nfs/dbraw/zinc/84/54/51/1350845451.db2.gz AHANFXBAUKNVOZ-GFCCVEGCSA-N -1 1 330.314 2.157 20 0 EEADMM CCC1CCC(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001604100098 1350856986 /nfs/dbraw/zinc/85/69/86/1350856986.db2.gz PLTXLMODGCVMKU-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM CCC1CCC(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001604100098 1350856989 /nfs/dbraw/zinc/85/69/89/1350856989.db2.gz PLTXLMODGCVMKU-UHFFFAOYSA-N -1 1 328.420 2.137 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2CC)C1 ZINC001604103264 1350857649 /nfs/dbraw/zinc/85/76/49/1350857649.db2.gz TWYDZWIYQYSALU-LLVKDONJSA-N -1 1 342.407 2.365 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2CC)C1 ZINC001604103264 1350857653 /nfs/dbraw/zinc/85/76/53/1350857653.db2.gz TWYDZWIYQYSALU-LLVKDONJSA-N -1 1 342.407 2.365 20 0 EEADMM CC[C@H]1CCN1C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001604108560 1350859492 /nfs/dbraw/zinc/85/94/92/1350859492.db2.gz OCKIYZKDYDNMIN-JTQLQIEISA-N -1 1 344.444 2.486 20 0 EEADMM CCCn1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1C ZINC001604251843 1350902355 /nfs/dbraw/zinc/90/23/55/1350902355.db2.gz AOKWSFVOXRRELJ-UHFFFAOYSA-N -1 1 330.348 2.040 20 0 EEADMM CCCn1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1C ZINC001604251843 1350902356 /nfs/dbraw/zinc/90/23/56/1350902356.db2.gz AOKWSFVOXRRELJ-UHFFFAOYSA-N -1 1 330.348 2.040 20 0 EEADMM C[C@@](O)(CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001604369004 1350925365 /nfs/dbraw/zinc/92/53/65/1350925365.db2.gz GEOYLZPWOZHZSA-ZIAGYGMSSA-N -1 1 335.297 2.412 20 0 EEADMM CCOc1ccc([C@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001604458098 1350941850 /nfs/dbraw/zinc/94/18/50/1350941850.db2.gz VFUCYAYITKWKGP-JTQLQIEISA-N -1 1 327.344 2.349 20 0 EEADMM CCOc1ccc([C@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001604458098 1350941853 /nfs/dbraw/zinc/94/18/53/1350941853.db2.gz VFUCYAYITKWKGP-JTQLQIEISA-N -1 1 327.344 2.349 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460563 1350942179 /nfs/dbraw/zinc/94/21/79/1350942179.db2.gz RWJWQRHJVCSYJW-NXEZZACHSA-N -1 1 348.321 2.429 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460563 1350942181 /nfs/dbraw/zinc/94/21/81/1350942181.db2.gz RWJWQRHJVCSYJW-NXEZZACHSA-N -1 1 348.321 2.429 20 0 EEADMM CCSc1ccccc1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001604484467 1350947821 /nfs/dbraw/zinc/94/78/21/1350947821.db2.gz YCQMWGKDNCFOPA-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CCSc1ccccc1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001604484467 1350947823 /nfs/dbraw/zinc/94/78/23/1350947823.db2.gz YCQMWGKDNCFOPA-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CCc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1C ZINC001604524860 1350954693 /nfs/dbraw/zinc/95/46/93/1350954693.db2.gz MIPDZAAYPBDAPY-UHFFFAOYSA-N -1 1 338.371 2.399 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(CC)CCc2cccs2)n1 ZINC001604544379 1350958407 /nfs/dbraw/zinc/95/84/07/1350958407.db2.gz VRJIAIRJUCNAIC-UHFFFAOYSA-N -1 1 329.433 2.350 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(CC)CCc2cccs2)n1 ZINC001604544379 1350958411 /nfs/dbraw/zinc/95/84/11/1350958411.db2.gz VRJIAIRJUCNAIC-UHFFFAOYSA-N -1 1 329.433 2.350 20 0 EEADMM CN(C(=O)CCSc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604640496 1350974885 /nfs/dbraw/zinc/97/48/85/1350974885.db2.gz DPPLARPHHOUOGL-UHFFFAOYSA-N -1 1 340.412 2.407 20 0 EEADMM CN(C(=O)CCSc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604640496 1350974888 /nfs/dbraw/zinc/97/48/88/1350974888.db2.gz DPPLARPHHOUOGL-UHFFFAOYSA-N -1 1 340.412 2.407 20 0 EEADMM COCCOc1ccccc1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001605120810 1351081300 /nfs/dbraw/zinc/08/13/00/1351081300.db2.gz JDWLKYBGKBKLTQ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1ccccc1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001605120810 1351081304 /nfs/dbraw/zinc/08/13/04/1351081304.db2.gz JDWLKYBGKBKLTQ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COc1ccc(CCCNc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC001605271969 1351121858 /nfs/dbraw/zinc/12/18/58/1351121858.db2.gz UZYXEDUGLLZIGZ-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM COc1ccc(CCCNc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC001605271969 1351121859 /nfs/dbraw/zinc/12/18/59/1351121859.db2.gz UZYXEDUGLLZIGZ-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM COc1cccc([C@@H](CNc2snc(C)c2-c2nn[n-]n2)OC)c1 ZINC001605315255 1351133805 /nfs/dbraw/zinc/13/38/05/1351133805.db2.gz PEDMHMYRXYFMKV-GFCCVEGCSA-N -1 1 346.416 2.440 20 0 EEADMM COc1ncc(NC(=O)N[C@@]2(C)CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001605346365 1351141667 /nfs/dbraw/zinc/14/16/67/1351141667.db2.gz AJLSQZNTGDYXAI-HWPZZCPQSA-N -1 1 345.407 2.361 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)O[C@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001605380035 1351148888 /nfs/dbraw/zinc/14/88/88/1351148888.db2.gz AGQNOWUHYWTSJE-IUCAKERBSA-N -1 1 349.416 2.425 20 0 EEADMM CCN(CCc1cccs1)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001605453946 1351162400 /nfs/dbraw/zinc/16/24/00/1351162400.db2.gz YSZVFIQXZAOHHV-UHFFFAOYSA-N -1 1 333.413 2.344 20 0 EEADMM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1C(C)(C)C ZINC001605476521 1351167057 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Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc3ccc(C)nc32)nn1C ZINC001605889395 1351247404 /nfs/dbraw/zinc/24/74/04/1351247404.db2.gz DJZWVSBZTTUPFD-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc3ccc(C)nc32)nn1C ZINC001605889395 1351247405 /nfs/dbraw/zinc/24/74/05/1351247405.db2.gz DJZWVSBZTTUPFD-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001606165976 1351280086 /nfs/dbraw/zinc/28/00/86/1351280086.db2.gz MHHMQVFYLGAUHA-TZMCWYRMSA-N -1 1 327.388 2.419 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001606165976 1351280087 /nfs/dbraw/zinc/28/00/87/1351280087.db2.gz MHHMQVFYLGAUHA-TZMCWYRMSA-N -1 1 327.388 2.419 20 0 EEADMM Fc1cccc(OC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001606328771 1351293766 /nfs/dbraw/zinc/29/37/66/1351293766.db2.gz HSXJLYIDGMBZMM-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1cccc(OC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001606328771 1351293768 /nfs/dbraw/zinc/29/37/68/1351293768.db2.gz HSXJLYIDGMBZMM-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001606333610 1351294010 /nfs/dbraw/zinc/29/40/10/1351294010.db2.gz UQMIGIXOBNITLZ-OAHLLOKOSA-N -1 1 345.399 2.149 20 0 EEADMM O=C(NCC1CCC2(CC2)CC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606724529 1351347022 /nfs/dbraw/zinc/34/70/22/1351347022.db2.gz ZBWUNYQGCNAIPE-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(NCC1CCC2(CC2)CC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606724529 1351347024 /nfs/dbraw/zinc/34/70/24/1351347024.db2.gz ZBWUNYQGCNAIPE-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001606934177 1351380060 /nfs/dbraw/zinc/38/00/60/1351380060.db2.gz WPVGUWAOMIHJLD-QJPTWQEYSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001606934177 1351380063 /nfs/dbraw/zinc/38/00/63/1351380063.db2.gz WPVGUWAOMIHJLD-QJPTWQEYSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccnc(Cl)c1 ZINC001606950151 1351382831 /nfs/dbraw/zinc/38/28/31/1351382831.db2.gz SANGLHQRNPMKCV-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001606967478 1351387203 /nfs/dbraw/zinc/38/72/03/1351387203.db2.gz IYDQTRNAFJAOPR-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001606967478 1351387204 /nfs/dbraw/zinc/38/72/04/1351387204.db2.gz IYDQTRNAFJAOPR-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606983454 1351392177 /nfs/dbraw/zinc/39/21/77/1351392177.db2.gz YMZFTMGCTRFXTD-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606983454 1351392178 /nfs/dbraw/zinc/39/21/78/1351392178.db2.gz YMZFTMGCTRFXTD-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001607017076 1351398234 /nfs/dbraw/zinc/39/82/34/1351398234.db2.gz NTGYAVDPMKMKKQ-GWCFXTLKSA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001607017076 1351398236 /nfs/dbraw/zinc/39/82/36/1351398236.db2.gz NTGYAVDPMKMKKQ-GWCFXTLKSA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(Cl)ccc2C1 ZINC001607017170 1351398541 /nfs/dbraw/zinc/39/85/41/1351398541.db2.gz MULHTQMIMLKAFV-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(Cl)ccc2C1 ZINC001607017170 1351398543 /nfs/dbraw/zinc/39/85/43/1351398543.db2.gz MULHTQMIMLKAFV-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCCc2ccccc21 ZINC001607073726 1351406361 /nfs/dbraw/zinc/40/63/61/1351406361.db2.gz HWVOOAZMXBPFIG-UHFFFAOYSA-N -1 1 347.425 2.070 20 0 EEADMM O=c1ccn(-c2ccc(NCc3ccc(-c4nn[nH]n4)cc3)cc2)[n-]1 ZINC001607090653 1351413998 /nfs/dbraw/zinc/41/39/98/1351413998.db2.gz RUXPWOLSCWCJED-UHFFFAOYSA-N -1 1 333.355 2.370 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCSC(F)(F)F ZINC001607090569 1351414214 /nfs/dbraw/zinc/41/42/14/1351414214.db2.gz UBBZSWWWHVXGCG-UHFFFAOYSA-N -1 1 341.318 2.435 20 0 EEADMM c1cc(Nc2ccc(COC3CCCC3)cc2)nc(-c2nn[n-]n2)n1 ZINC001607121707 1351427266 /nfs/dbraw/zinc/42/72/66/1351427266.db2.gz OFVCMWPATAPFGQ-UHFFFAOYSA-N -1 1 337.387 2.281 20 0 EEADMM COc1cc(CN[C@@H]2COC[C@H]2C)c(Br)cc1C(=O)[O-] ZINC001607164299 1351441322 /nfs/dbraw/zinc/44/13/22/1351441322.db2.gz UMAIOMMQUIFPKH-PRHODGIISA-N -1 1 344.205 2.280 20 0 EEADMM COc1ccc(/C(C)=C\C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001607220027 1351451892 /nfs/dbraw/zinc/45/18/92/1351451892.db2.gz HAEYAXCSJUBLBU-ZSMUJPCHSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc([C@H](NCc2cnc3c(C)cccn23)C(=O)[O-])cc1O ZINC001607233834 1351455386 /nfs/dbraw/zinc/45/53/86/1351455386.db2.gz CVFYBEIMEVXJSC-INIZCTEOSA-N -1 1 341.367 2.272 20 0 EEADMM COc1ccc([C@@H](NCc2ccc(F)c(OC)c2)C(=O)[O-])cc1O ZINC001607235717 1351455963 /nfs/dbraw/zinc/45/59/63/1351455963.db2.gz XYHRSJKEHRERQT-MRXNPFEDSA-N -1 1 335.331 2.464 20 0 EEADMM CS(=O)(=O)c1cccc(CNCc2ccc(CC(=O)[O-])cc2)c1 ZINC001607382745 1351484481 /nfs/dbraw/zinc/48/44/81/1351484481.db2.gz MITBFAMXBCHSLJ-UHFFFAOYSA-N -1 1 333.409 2.007 20 0 EEADMM CS(C)(=O)=NCC1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001607387315 1351485091 /nfs/dbraw/zinc/48/50/91/1351485091.db2.gz GIIROQALAQNXDO-OAHLLOKOSA-N -1 1 342.436 2.391 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2ccccc2C(=O)N(C)C)n1C ZINC001607517247 1351509485 /nfs/dbraw/zinc/50/94/85/1351509485.db2.gz VDIBZODUSJRTNS-UHFFFAOYSA-N -1 1 329.400 2.023 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cc(C(F)(F)F)nn2C)n1C ZINC001607517385 1351509491 /nfs/dbraw/zinc/50/94/91/1351509491.db2.gz ZSTWWFKDFAMRRL-UHFFFAOYSA-N -1 1 330.310 2.074 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3nn(C)cc3C(=O)[O-])[nH]n2)cc1 ZINC001607715548 1351545283 /nfs/dbraw/zinc/54/52/83/1351545283.db2.gz QKMZLBDGOGQPGG-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC001607780400 1351556979 /nfs/dbraw/zinc/55/69/79/1351556979.db2.gz CDMKGXQRPBMUQV-CQSZACIVSA-N -1 1 328.368 2.291 20 0 EEADMM Cc1ccc2c(ccc(C)c2C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607826975 1351566353 /nfs/dbraw/zinc/56/63/53/1351566353.db2.gz FKLJTLPLEWKVBM-UHFFFAOYSA-N -1 1 326.396 2.299 20 0 EEADMM Cc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC001607885003 1351578535 /nfs/dbraw/zinc/57/85/35/1351578535.db2.gz CTLAXRHOPATAGD-USXIJHARSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1ccsc1[C@@H](CO)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001607901695 1351582605 /nfs/dbraw/zinc/58/26/05/1351582605.db2.gz HEEMEISYGARAFW-CYBMUJFWSA-N -1 1 334.397 2.016 20 0 EEADMM Cc1nnc(SCC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)[nH]1 ZINC001607938067 1351589873 /nfs/dbraw/zinc/58/98/73/1351589873.db2.gz IJSUANKKZACQMA-STQMWFEESA-N -1 1 346.412 2.022 20 0 EEADMM Cc1n[nH]c(SCC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC001607938067 1351589874 /nfs/dbraw/zinc/58/98/74/1351589874.db2.gz IJSUANKKZACQMA-STQMWFEESA-N -1 1 346.412 2.022 20 0 EEADMM Cc1nc([C@H](C)NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])n[nH]1 ZINC001608013028 1351604700 /nfs/dbraw/zinc/60/47/00/1351604700.db2.gz FHJJGTLLJVODJI-QMMMGPOBSA-N -1 1 331.351 2.293 20 0 EEADMM Cc1oc(S(=O)(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001608057160 1351615816 /nfs/dbraw/zinc/61/58/16/1351615816.db2.gz XRHLBPCILWTQGN-NSHDSACASA-N -1 1 341.307 2.296 20 0 EEADMM Nc1n[nH]c(C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)n1 ZINC001608279990 1351662136 /nfs/dbraw/zinc/66/21/36/1351662136.db2.gz ORIYFDBRXNXNFD-UHFFFAOYSA-N -1 1 335.795 2.118 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC001608340189 1351674191 /nfs/dbraw/zinc/67/41/91/1351674191.db2.gz YJIKCROVJLSSIM-NXEZZACHSA-N -1 1 343.305 2.205 20 0 EEADMM CSc1nc(CNC(=O)Nc2cccc3[nH]c(=O)oc32)cc(=O)[n-]1 ZINC001625387576 1352447873 /nfs/dbraw/zinc/44/78/73/1352447873.db2.gz XUHHLTBXWVBPKX-UHFFFAOYSA-N -1 1 347.356 2.073 20 0 EEADMM Cc1nc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)ccc2c(=O)[nH]1 ZINC001626458880 1352463890 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Cc1cc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)sn1 ZINC001660587918 1354495000 /nfs/dbraw/zinc/49/50/00/1354495000.db2.gz BPVXHXKNTYGKQN-UHFFFAOYSA-N -1 1 348.453 2.158 20 0 EEADMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc21 ZINC000083577476 1356047175 /nfs/dbraw/zinc/04/71/75/1356047175.db2.gz GSLNJKSIJKNLFW-UHFFFAOYSA-N -1 1 326.381 2.440 20 0 EEADMM CCCc1n[n-]c(=S)n1CC(=O)NCCc1ccc(N(C)C)cc1 ZINC000101675520 1358273158 /nfs/dbraw/zinc/27/31/58/1358273158.db2.gz OQQGKVOVXQPPGU-UHFFFAOYSA-N -1 1 347.488 2.318 20 0 EEADMM O=C([N-]CCCOC(=O)[C@@H]1CCc2cc(F)ccc21)C(F)(F)F ZINC000850269652 1367135692 /nfs/dbraw/zinc/13/56/92/1367135692.db2.gz QMELDPVJANEDLS-GFCCVEGCSA-N -1 1 333.281 2.467 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1 ZINC000346887907 1368139012 /nfs/dbraw/zinc/13/90/12/1368139012.db2.gz PPTRNFQUAWTEKD-UHFFFAOYSA-N -1 1 337.339 2.234 20 0 EEADMM Cc1cccc(Cl)c1S(=O)(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001195276902 1368513965 /nfs/dbraw/zinc/51/39/65/1368513965.db2.gz AAROWIWBMHXCFQ-UHFFFAOYSA-N -1 1 344.736 2.048 20 0 EEADMM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198153806 1368625961 /nfs/dbraw/zinc/62/59/61/1368625961.db2.gz UDZYEDLERPHUGQ-LLVKDONJSA-N -1 1 329.381 2.484 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C(C)(C)c1ccccc1F ZINC000867299395 1368659055 /nfs/dbraw/zinc/65/90/55/1368659055.db2.gz SVTXSKACOLXWMN-UHFFFAOYSA-N -1 1 336.454 2.403 20 0 EEADMM CCCCCN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001201745298 1368837069 /nfs/dbraw/zinc/83/70/69/1368837069.db2.gz UNKLULKRXMDXLO-LBPRGKRZSA-N -1 1 330.475 2.208 20 0 EEADMM CC(=O)c1ccnc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000853638110 1369362706 /nfs/dbraw/zinc/36/27/06/1369362706.db2.gz ZPODFLSUGPBRGB-NSHDSACASA-N -1 1 329.322 2.179 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000841837731 1369912621 /nfs/dbraw/zinc/91/26/21/1369912621.db2.gz UDDNACACQMIJOP-CYBMUJFWSA-N -1 1 343.387 2.376 20 0 EEADMM Cc1cn2c(nc(CN3CCC[C@H](CC(=O)[O-])CC3)cc2=O)s1 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/nfs/dbraw/zinc/52/08/58/1373520858.db2.gz SMFIXRSVIDPHML-LSDHHAIUSA-N -1 1 339.819 2.486 20 0 EEADMM CCCN(CC)c1ccc(C(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001363486710 1373525778 /nfs/dbraw/zinc/52/57/78/1373525778.db2.gz OZFRXKNECPXEMT-UHFFFAOYSA-N -1 1 330.388 2.054 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(CO)cc2)c(F)c1 ZINC001364885437 1373624476 /nfs/dbraw/zinc/62/44/76/1373624476.db2.gz HQTHMBNESDOWJK-UHFFFAOYSA-N -1 1 327.352 2.244 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c(F)c1 ZINC001365128698 1373673297 /nfs/dbraw/zinc/67/32/97/1373673297.db2.gz JDAIMZYOIKGOEA-CQSZACIVSA-N -1 1 345.342 2.424 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)C1 ZINC001389817503 1388313365 /nfs/dbraw/zinc/31/33/65/1388313365.db2.gz YRNDQAXURKJZIP-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001372188928 1375839928 /nfs/dbraw/zinc/83/99/28/1375839928.db2.gz QWFLKBHFFFXGHZ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1CCCCC1 ZINC001374117882 1376586477 /nfs/dbraw/zinc/58/64/77/1376586477.db2.gz MCIZWNCJEFLTAW-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCCC(=O)NC[C@@H](CC(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001375834038 1378041477 /nfs/dbraw/zinc/04/14/77/1378041477.db2.gz GABQADKLXJMQOU-CYBMUJFWSA-N -1 1 348.447 2.120 20 0 EEADMM C[C@@H](NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)c1ncccn1 ZINC001382515010 1382110507 /nfs/dbraw/zinc/11/05/07/1382110507.db2.gz LROAPCBCHVSOOI-TZMCWYRMSA-N -1 1 343.431 2.073 20 0 EEADMM CCCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384524473 1384434569 /nfs/dbraw/zinc/43/45/69/1384434569.db2.gz WFLYZZTYHNNPKB-NEPJUHHUSA-N -1 1 348.447 2.263 20 0 EEADMM C[C@@H](NC(=O)CC1CCC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385540559 1385662563 /nfs/dbraw/zinc/66/25/63/1385662563.db2.gz WGMPHMIGMIAEPR-UKRRQHHQSA-N -1 1 345.443 2.477 20 0 EEADMM CCC[C@](C)(CC)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385933126 1385919567 /nfs/dbraw/zinc/91/95/67/1385919567.db2.gz QEGUYFOPYWEGRV-LXIYXOSZSA-N -1 1 333.432 2.381 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1csc(Cl)c1 ZINC001386740439 1386289921 /nfs/dbraw/zinc/28/99/21/1386289921.db2.gz HWESZNVVQPRZPY-MRVPVSSYSA-N -1 1 339.804 2.050 20 0 EEADMM C[C@@H](CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1)C1CCCCC1 ZINC001387774212 1386993289 /nfs/dbraw/zinc/99/32/89/1386993289.db2.gz HVEIJJNLKXOVAU-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001396555517 1390955845 /nfs/dbraw/zinc/95/58/45/1390955845.db2.gz NKKNOGJLPNFIAS-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)c1ccc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001397590381 1391347753 /nfs/dbraw/zinc/34/77/53/1391347753.db2.gz IKYGZEBCIVGFRA-CYBMUJFWSA-N -1 1 341.411 2.459 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001397647430 1391399972 /nfs/dbraw/zinc/39/99/72/1391399972.db2.gz MIGXUYMDWYFAEU-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399130747 1394732103 /nfs/dbraw/zinc/73/21/03/1394732103.db2.gz HQIKFMNOJOVHTA-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)(C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399136597 1394740115 /nfs/dbraw/zinc/74/01/15/1394740115.db2.gz VXCXUJVKFAZMRI-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)(C)C(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1 ZINC001399221762 1394843312 /nfs/dbraw/zinc/84/33/12/1394843312.db2.gz SPHXJVGNHORROC-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](F)C(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001399257429 1394890231 /nfs/dbraw/zinc/89/02/31/1394890231.db2.gz DUIDRDZEALYFJC-CQSZACIVSA-N -1 1 345.374 2.082 20 0 EEADMM Cc1cc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001399342530 1394989228 /nfs/dbraw/zinc/98/92/28/1394989228.db2.gz DXRHPRKMGVKBCL-JTQLQIEISA-N -1 1 347.440 2.261 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001399567970 1395259146 /nfs/dbraw/zinc/25/91/46/1395259146.db2.gz BHRQGTMSDIUPRJ-CYBMUJFWSA-N -1 1 333.432 2.094 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3Cc4cc(F)c(F)cc4C3)ccnc1-2 ZINC001425620652 1401676637 /nfs/dbraw/zinc/67/66/37/1401676637.db2.gz MDYXDSDIWIJOII-UHFFFAOYSA-N -1 1 329.310 2.168 20 0 EEADMM CN(C(=O)C(C)(C)C1CC1)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427422633 1402408359 /nfs/dbraw/zinc/40/83/59/1402408359.db2.gz IXMVXNGJVMUEKV-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001428118746 1402629109 /nfs/dbraw/zinc/62/91/09/1402629109.db2.gz LTVDFMXFZORPLA-UONOGXRCSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428139762 1402640349 /nfs/dbraw/zinc/64/03/49/1402640349.db2.gz NKKNOGJLPNFIAS-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1ccc([O-])cn1 ZINC001433615488 1403415042 /nfs/dbraw/zinc/41/50/42/1403415042.db2.gz TZMYLGZOLULWEW-UHFFFAOYSA-N -1 1 327.262 2.053 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001433643633 1403419164 /nfs/dbraw/zinc/41/91/64/1403419164.db2.gz BEBMMCKNFKIVHR-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1Cc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC001576382249 1403568901 /nfs/dbraw/zinc/56/89/01/1403568901.db2.gz CUWAMAPKFZSIMC-SECBINFHSA-N -1 1 341.396 2.182 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576573449 1403584522 /nfs/dbraw/zinc/58/45/22/1403584522.db2.gz RHXNBVCGFYLRKZ-GXSJLCMTSA-N -1 1 349.464 2.081 20 0 EEADMM CCOc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001578401979 1403746363 /nfs/dbraw/zinc/74/63/63/1403746363.db2.gz DYUBIBKMBWOXHK-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM CCOc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001578401979 1403746368 /nfs/dbraw/zinc/74/63/68/1403746368.db2.gz DYUBIBKMBWOXHK-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM COc1cccc2c1CC[C@@H]2OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001580075284 1403821239 /nfs/dbraw/zinc/82/12/39/1403821239.db2.gz WLFNJJKOYSWAJK-LBPRGKRZSA-N -1 1 326.312 2.313 20 0 EEADMM COc1ncc(NC(=O)c2cc(F)c(C)cc2F)cc1-c1nn[n-]n1 ZINC001580138929 1403832526 /nfs/dbraw/zinc/83/25/26/1403832526.db2.gz UUNXZYWXNMLKLE-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM CCC[C@@H](C)NC(=O)[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001590549711 1403886201 /nfs/dbraw/zinc/88/62/01/1403886201.db2.gz FAUXNLKRDCGGIJ-BDAKNGLRSA-N -1 1 340.478 2.250 20 0 EEADMM CCC[C@@H](C)NC(=O)[C@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001590549711 1403886207 /nfs/dbraw/zinc/88/62/07/1403886207.db2.gz FAUXNLKRDCGGIJ-BDAKNGLRSA-N -1 1 340.478 2.250 20 0 EEADMM COc1cc(OC)cc([C@@H](C)OC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591552813 1403925788 /nfs/dbraw/zinc/92/57/88/1403925788.db2.gz VUZBRTRCJKUUQM-SECBINFHSA-N -1 1 344.327 2.395 20 0 EEADMM COc1cc(OC)cc([C@@H](C)OC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591552813 1403925793 /nfs/dbraw/zinc/92/57/93/1403925793.db2.gz VUZBRTRCJKUUQM-SECBINFHSA-N -1 1 344.327 2.395 20 0 EEADMM COc1cccc(Cl)c1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591640533 1403932719 /nfs/dbraw/zinc/93/27/19/1403932719.db2.gz YNJSGLNMUUIBSG-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cccc(Cl)c1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591640533 1403932726 /nfs/dbraw/zinc/93/27/26/1403932726.db2.gz YNJSGLNMUUIBSG-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001592140330 1404006510 /nfs/dbraw/zinc/00/65/10/1404006510.db2.gz ODHVGGBRGTYUBM-UHFFFAOYSA-N -1 1 345.384 2.062 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001592140330 1404006523 /nfs/dbraw/zinc/00/65/23/1404006523.db2.gz ODHVGGBRGTYUBM-UHFFFAOYSA-N -1 1 345.384 2.062 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3[nH]ccc32)c1-c1nnn[n-]1 ZINC001592482132 1404701655 /nfs/dbraw/zinc/70/16/55/1404701655.db2.gz UIHSVTUKYDCLKH-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3[nH]ccc32)c1-c1nn[n-]n1 ZINC001592482132 1404701661 /nfs/dbraw/zinc/70/16/61/1404701661.db2.gz UIHSVTUKYDCLKH-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3scnc3c2)c1-c1nnn[n-]1 ZINC001592481936 1404702112 /nfs/dbraw/zinc/70/21/12/1404702112.db2.gz MTXVMDCWSNTCNG-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3scnc3c2)c1-c1nn[n-]n1 ZINC001592481936 1404702120 /nfs/dbraw/zinc/70/21/20/1404702120.db2.gz MTXVMDCWSNTCNG-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC001592499780 1404702716 /nfs/dbraw/zinc/70/27/16/1404702716.db2.gz QWIFZOQXBMRPIE-ZDUSSCGKSA-N -1 1 343.391 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC001592499780 1404702720 /nfs/dbraw/zinc/70/27/20/1404702720.db2.gz QWIFZOQXBMRPIE-ZDUSSCGKSA-N -1 1 343.391 2.019 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001592500566 1404704719 /nfs/dbraw/zinc/70/47/19/1404704719.db2.gz ALOOXLSDBCMUMJ-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001592500566 1404704724 /nfs/dbraw/zinc/70/47/24/1404704724.db2.gz ALOOXLSDBCMUMJ-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM CN(C)Cc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cn1 ZINC001606034012 1404757954 /nfs/dbraw/zinc/75/79/54/1404757954.db2.gz OOWXJSAPVYMXDP-UHFFFAOYSA-N -1 1 325.368 2.044 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(C)(C)C1 ZINC001606170549 1404773042 /nfs/dbraw/zinc/77/30/42/1404773042.db2.gz GYVBEIICMIBYRC-UHFFFAOYSA-N -1 1 326.360 2.041 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(C)(C)C1 ZINC001606170549 1404773047 /nfs/dbraw/zinc/77/30/47/1404773047.db2.gz GYVBEIICMIBYRC-UHFFFAOYSA-N -1 1 326.360 2.041 20 0 EEADMM Clc1cccc2c1OCCC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001606195709 1404775836 /nfs/dbraw/zinc/77/58/36/1404775836.db2.gz IDUFMKRQWYSEPJ-LLVKDONJSA-N -1 1 343.778 2.058 20 0 EEADMM FC(F)c1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001606299885 1404782624 /nfs/dbraw/zinc/78/26/24/1404782624.db2.gz JRUDDOOMDBKAHF-UHFFFAOYSA-N -1 1 334.290 2.072 20 0 EEADMM FC(F)c1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001606299885 1404782639 /nfs/dbraw/zinc/78/26/39/1404782639.db2.gz JRUDDOOMDBKAHF-UHFFFAOYSA-N -1 1 334.290 2.072 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CCC2 ZINC001606311591 1404785980 /nfs/dbraw/zinc/78/59/80/1404785980.db2.gz PUFDLULBNHHMTG-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CCC2 ZINC001606311591 1404785987 /nfs/dbraw/zinc/78/59/87/1404785987.db2.gz PUFDLULBNHHMTG-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM CCCCOC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000173939202 1405745033 /nfs/dbraw/zinc/74/50/33/1405745033.db2.gz UIEKIDPEDWYUOR-QMMMGPOBSA-N -1 1 339.335 2.114 20 0 EEADMM CCC[C@H](N[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000185048695 1406053455 /nfs/dbraw/zinc/05/34/55/1406053455.db2.gz VDUQATMMKSUGCI-YPMHNXCESA-N -1 1 349.456 2.486 20 0 EEADMM Cc1ccc(-n2[n-]c(C(=O)N3CCN(C(C)(C)C)CC3)cc2=O)cc1 ZINC001771612261 1409882049 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Cc1cnc(C)nc1NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001104934897 765606164 /nfs/dbraw/zinc/60/61/64/765606164.db2.gz LUUIYWPVFSKZTB-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM O=C(NCCNCc1csc(-c2ccco2)n1)c1ncccc1[O-] ZINC001126111178 770008927 /nfs/dbraw/zinc/00/89/27/770008927.db2.gz XPIFKWPJWPXIKM-UHFFFAOYSA-N -1 1 344.396 2.023 20 0 EEADMM CN(Cc1ccccc1)C(=O)CNC(=O)c1c([O-])cccc1Cl ZINC000920456330 770712218 /nfs/dbraw/zinc/71/22/18/770712218.db2.gz JWHWVEQYASMEJJ-UHFFFAOYSA-N -1 1 332.787 2.434 20 0 EEADMM COc1cc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)ncn1 ZINC000184436518 783027837 /nfs/dbraw/zinc/02/78/37/783027837.db2.gz WOEUFVWSPKMUGB-UHFFFAOYSA-N -1 1 334.807 2.166 20 0 EEADMM CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979783988 773276319 /nfs/dbraw/zinc/27/63/19/773276319.db2.gz BMCPCGGVZYSKNP-YNEHKIRRSA-N -1 1 347.390 2.017 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC000942754667 783097229 /nfs/dbraw/zinc/09/72/29/783097229.db2.gz 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c1ccc([C@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000738426646 578014462 /nfs/dbraw/zinc/01/44/62/578014462.db2.gz FVEQUAZYXMROON-AWEZNQCLSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000738426646 578014463 /nfs/dbraw/zinc/01/44/63/578014463.db2.gz FVEQUAZYXMROON-AWEZNQCLSA-N -1 1 330.355 2.253 20 0 EEADMM Fc1ccc(N2CC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c(F)c1 ZINC000737660117 576261894 /nfs/dbraw/zinc/26/18/94/576261894.db2.gz NHMZEYNATTUYFG-LLVKDONJSA-N -1 1 343.341 2.231 20 0 EEADMM Fc1ccc(N2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC000737660117 576261898 /nfs/dbraw/zinc/26/18/98/576261898.db2.gz NHMZEYNATTUYFG-LLVKDONJSA-N -1 1 343.341 2.231 20 0 EEADMM O=C([O-])CCCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000738570663 576594414 /nfs/dbraw/zinc/59/44/14/576594414.db2.gz BHVARFUIKORRCB-UHFFFAOYSA-N -1 1 342.443 2.245 20 0 EEADMM C[C@H]1CCC[C@@H](OCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)C1 ZINC000733016483 577199693 /nfs/dbraw/zinc/19/96/93/577199693.db2.gz 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577397273 /nfs/dbraw/zinc/39/72/73/577397273.db2.gz DXGVGUNYQXKMTI-UHFFFAOYSA-N -1 1 344.396 2.296 20 0 EEADMM Cc1ccc(OCC(=O)OCCC[N-]C(=O)C(F)(F)F)cc1C ZINC000774882288 577421849 /nfs/dbraw/zinc/42/18/49/577421849.db2.gz GBNGKVQEVZQQQF-UHFFFAOYSA-N -1 1 333.306 2.294 20 0 EEADMM Cn1[n-]c(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc1=O ZINC000765388889 577500128 /nfs/dbraw/zinc/50/01/28/577500128.db2.gz BKZFGCDGWLHGNB-UHFFFAOYSA-N -1 1 335.791 2.317 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000766579422 577521830 /nfs/dbraw/zinc/52/18/30/577521830.db2.gz FUNLLJOWAXRRPX-UHFFFAOYSA-N -1 1 334.397 2.041 20 0 EEADMM O=C([N-]OCC(F)(F)F)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000766777697 577524738 /nfs/dbraw/zinc/52/47/38/577524738.db2.gz ZBQKKTCIHLYSKD-LBPRGKRZSA-N -1 1 342.317 2.138 20 0 EEADMM CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769730790 577583230 /nfs/dbraw/zinc/58/32/30/577583230.db2.gz NCXHXFVPZXUGNN-SNVBAGLBSA-N -1 1 331.821 2.085 20 0 EEADMM CCCCn1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(C)n1 ZINC000770500988 577597581 /nfs/dbraw/zinc/59/75/81/577597581.db2.gz JHZWPIQYXBSDJK-UHFFFAOYSA-N -1 1 335.326 2.217 20 0 EEADMM COc1ccc2c(C)c(CCC(=O)[N-]OCC(F)F)c(=O)oc2c1 ZINC000760146218 577657735 /nfs/dbraw/zinc/65/77/35/577657735.db2.gz JBLFAYOERYZJQS-UHFFFAOYSA-N -1 1 341.310 2.356 20 0 EEADMM COC(=O)[C@@H](CC(F)F)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000762348489 577699606 /nfs/dbraw/zinc/69/96/06/577699606.db2.gz CQGILNHETXYNHG-SNVBAGLBSA-N -1 1 337.269 2.100 20 0 EEADMM O=C(NCCNc1ncnc2sccc21)c1cc(F)ccc1[O-] ZINC000751066115 577747803 /nfs/dbraw/zinc/74/78/03/577747803.db2.gz XCTWSKSYDKBSRH-UHFFFAOYSA-N -1 1 332.360 2.378 20 0 EEADMM CCOCCCNC(=O)[C@@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751734143 577758631 /nfs/dbraw/zinc/75/86/31/577758631.db2.gz IMAVMGCXFGZRHK-SECBINFHSA-N -1 1 347.770 2.273 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nccc(C)n1 ZINC000756182782 577839898 /nfs/dbraw/zinc/83/98/98/577839898.db2.gz DZICLYMWIKJKJI-UHFFFAOYSA-N -1 1 349.412 2.294 20 0 EEADMM CCC(CC)[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742751124 577876279 /nfs/dbraw/zinc/87/62/79/577876279.db2.gz RQPANSFUGNLROV-QGZVFWFLSA-N -1 1 343.427 2.220 20 0 EEADMM CCOC(=O)c1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1 ZINC000747234996 577941618 /nfs/dbraw/zinc/94/16/18/577941618.db2.gz YEWKVNRHYDWWGE-UHFFFAOYSA-N -1 1 338.385 2.478 20 0 EEADMM CCOC(=O)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000747234996 577941619 /nfs/dbraw/zinc/94/16/19/577941619.db2.gz YEWKVNRHYDWWGE-UHFFFAOYSA-N -1 1 338.385 2.478 20 0 EEADMM CCn1cc(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)cn1 ZINC000735298028 578143156 /nfs/dbraw/zinc/14/31/56/578143156.db2.gz LYGLKUCPKDJJBF-UHFFFAOYSA-N -1 1 329.433 2.309 20 0 EEADMM CC[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc(C)cc1 ZINC000736335440 578197237 /nfs/dbraw/zinc/19/72/37/578197237.db2.gz RWZAYMDKWKGMGZ-LLVKDONJSA-N -1 1 325.376 2.178 20 0 EEADMM CCCCCc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736451262 578205231 /nfs/dbraw/zinc/20/52/31/578205231.db2.gz ICXWZXWRXJGKDN-UHFFFAOYSA-N -1 1 344.404 2.098 20 0 EEADMM CCCCCc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736451262 578205232 /nfs/dbraw/zinc/20/52/32/578205232.db2.gz ICXWZXWRXJGKDN-UHFFFAOYSA-N -1 1 344.404 2.098 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736608241 578214674 /nfs/dbraw/zinc/21/46/74/578214674.db2.gz BQZFXRYOPIKIDN-KGLIPLIRSA-N -1 1 343.387 2.156 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736608241 578214675 /nfs/dbraw/zinc/21/46/75/578214675.db2.gz BQZFXRYOPIKIDN-KGLIPLIRSA-N -1 1 343.387 2.156 20 0 EEADMM C[C@@H]1C(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000736746216 578221853 /nfs/dbraw/zinc/22/18/53/578221853.db2.gz IGYQEQYIQWZEFZ-UKRRQHHQSA-N -1 1 345.399 2.130 20 0 EEADMM CN(C)Cc1cc(CNc2ncccc2-c2nn[nH]n2)ccc1F ZINC000736772013 578222829 /nfs/dbraw/zinc/22/28/29/578222829.db2.gz TVPFAVJTGQCLJM-UHFFFAOYSA-N -1 1 327.367 2.075 20 0 EEADMM CC[C@H](O)[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736922782 578229700 /nfs/dbraw/zinc/22/97/00/578229700.db2.gz AHEFOTYANGQEGW-CVEARBPZSA-N -1 1 334.416 2.257 20 0 EEADMM CCCc1nnc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000737050327 578235265 /nfs/dbraw/zinc/23/52/65/578235265.db2.gz HHXMUBODQPLNFV-ZFWWWQNUSA-N -1 1 348.378 2.096 20 0 EEADMM CCCc1n[nH]c([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)n1 ZINC000737050327 578235266 /nfs/dbraw/zinc/23/52/66/578235266.db2.gz HHXMUBODQPLNFV-ZFWWWQNUSA-N -1 1 348.378 2.096 20 0 EEADMM COc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1O ZINC000737096826 578237873 /nfs/dbraw/zinc/23/78/73/578237873.db2.gz ZNGOWTNPWPWGCZ-UHFFFAOYSA-N -1 1 338.780 2.303 20 0 EEADMM COc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1O ZINC000737096826 578237874 /nfs/dbraw/zinc/23/78/74/578237874.db2.gz ZNGOWTNPWPWGCZ-UHFFFAOYSA-N -1 1 338.780 2.303 20 0 EEADMM COc1ccccc1[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737148264 578240890 /nfs/dbraw/zinc/24/08/90/578240890.db2.gz PRINVCCAKCINGV-NSHDSACASA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccccc1[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737148264 578240891 /nfs/dbraw/zinc/24/08/91/578240891.db2.gz PRINVCCAKCINGV-NSHDSACASA-N -1 1 346.778 2.069 20 0 EEADMM CCn1ccnc1CN1CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000737303157 578249341 /nfs/dbraw/zinc/24/93/41/578249341.db2.gz PPXOWWSTXPGJDL-AWEZNQCLSA-N -1 1 346.431 2.463 20 0 EEADMM Cc1ccc(C)c(OCCCn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000737326959 578250637 /nfs/dbraw/zinc/25/06/37/578250637.db2.gz VNDJSDGIPIXDJX-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM CN(CCCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)C(=O)[O-] ZINC000737418790 578256402 /nfs/dbraw/zinc/25/64/02/578256402.db2.gz RSLFVDZBUKSVFP-UHFFFAOYSA-N -1 1 347.459 2.499 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000737530876 578262300 /nfs/dbraw/zinc/26/23/00/578262300.db2.gz YJJUTAVHAPDGMB-HUUCEWRRSA-N -1 1 345.443 2.268 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)NC1CCCCC1 ZINC000737848059 578270871 /nfs/dbraw/zinc/27/08/71/578270871.db2.gz NSYFDCKQKFEFJU-UHFFFAOYSA-N -1 1 349.826 2.166 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)NC1CCCCC1 ZINC000737848059 578270872 /nfs/dbraw/zinc/27/08/72/578270872.db2.gz NSYFDCKQKFEFJU-UHFFFAOYSA-N -1 1 349.826 2.166 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000822242412 599065083 /nfs/dbraw/zinc/06/50/83/599065083.db2.gz KJMQBAWOHJUWSM-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000822242412 599065086 /nfs/dbraw/zinc/06/50/86/599065086.db2.gz KJMQBAWOHJUWSM-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM CCc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000821486743 599099153 /nfs/dbraw/zinc/09/91/53/599099153.db2.gz KPMPFAUMYMYEKF-UHFFFAOYSA-N -1 1 335.415 2.151 20 0 EEADMM CCc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821486743 599099157 /nfs/dbraw/zinc/09/91/57/599099157.db2.gz KPMPFAUMYMYEKF-UHFFFAOYSA-N -1 1 335.415 2.151 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Sc1ccccc1 ZINC000820268749 599192384 /nfs/dbraw/zinc/19/23/84/599192384.db2.gz DURHHPKYJABWSF-NSHDSACASA-N -1 1 340.412 2.172 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Sc1ccccc1 ZINC000820268749 599192386 /nfs/dbraw/zinc/19/23/86/599192386.db2.gz DURHHPKYJABWSF-NSHDSACASA-N -1 1 340.412 2.172 20 0 EEADMM O=C([O-])CSCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000819543137 597155677 /nfs/dbraw/zinc/15/56/77/597155677.db2.gz JXTGIKFKUMNEAB-UHFFFAOYSA-N -1 1 344.190 2.082 20 0 EEADMM O=C([O-])[C@H]1CCN(Cc2ccccc2I)C1 ZINC000821511416 598129601 /nfs/dbraw/zinc/12/96/01/598129601.db2.gz KIQNJNZQRHVATH-JTQLQIEISA-N -1 1 331.153 2.198 20 0 EEADMM COCCOCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821691681 599511226 /nfs/dbraw/zinc/51/12/26/599511226.db2.gz AIQWBLWIGZAYQC-UHFFFAOYSA-N -1 1 342.403 2.270 20 0 EEADMM COCCOCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821691681 599511228 /nfs/dbraw/zinc/51/12/28/599511228.db2.gz AIQWBLWIGZAYQC-UHFFFAOYSA-N -1 1 342.403 2.270 20 0 EEADMM Cc1ccc2nc(CNS(=O)(=O)c3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC000832958629 600792055 /nfs/dbraw/zinc/79/20/55/600792055.db2.gz CZGBGGSJBXCHBJ-UHFFFAOYSA-N -1 1 345.380 2.048 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CCOC3(CCCCC3)C2)cc1 ZINC000833322132 600835066 /nfs/dbraw/zinc/83/50/66/600835066.db2.gz XBODOOVXMWEDKF-INIZCTEOSA-N -1 1 349.427 2.160 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccccc2Cl)CC1 ZINC000827354309 601095402 /nfs/dbraw/zinc/09/54/02/601095402.db2.gz DUVBQFFVKLBEBB-FWWRYZNZSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000827369265 601127485 /nfs/dbraw/zinc/12/74/85/601127485.db2.gz SRMXQLUKRJHYPZ-NSHDSACASA-N -1 1 348.428 2.309 20 0 EEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(C/C=C(\C)C(=O)[O-])C1 ZINC000825824026 601177822 /nfs/dbraw/zinc/17/78/22/601177822.db2.gz ZIQWPYWOKKQELD-WQPBDQAGSA-N -1 1 349.431 2.252 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)N[C@H](C)c2cccs2)CC1 ZINC000827710103 601337803 /nfs/dbraw/zinc/33/78/03/601337803.db2.gz MTQPBWRDRRQMCQ-VXGBXAGGSA-N -1 1 341.502 2.164 20 0 EEADMM Cc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1F ZINC000832949440 601338457 /nfs/dbraw/zinc/33/84/57/601338457.db2.gz XGPZZVGHTOXHHI-GFCCVEGCSA-N -1 1 339.436 2.312 20 0 EEADMM Cn1cnc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000833058974 601340232 /nfs/dbraw/zinc/34/02/32/601340232.db2.gz VNUNNWVBYIFJBD-UHFFFAOYSA-N -1 1 337.382 2.134 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000833176406 601439852 /nfs/dbraw/zinc/43/98/52/601439852.db2.gz YSMKTYBXCVSYMK-KBXCAEBGSA-N -1 1 333.359 2.078 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000828437691 601532678 /nfs/dbraw/zinc/53/26/78/601532678.db2.gz AJMIZCFRWJAUOB-VHSXEESVSA-N -1 1 330.306 2.296 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000828717838 601542710 /nfs/dbraw/zinc/54/27/10/601542710.db2.gz KQGXYFOTMWHCGR-YJLNNSPDSA-N -1 1 332.444 2.266 20 0 EEADMM Cn1cc(NC(=O)c2ccc(Br)cc2O)cc1C(=O)[O-] ZINC000833052299 601761082 /nfs/dbraw/zinc/76/10/82/601761082.db2.gz SQAYQPHZOBHBLN-UHFFFAOYSA-N -1 1 339.145 2.444 20 0 EEADMM COC(=O)c1ccc2c(cnn2CN2CCC(CCC(=O)[O-])CC2)c1 ZINC000831449412 601798203 /nfs/dbraw/zinc/79/82/03/601798203.db2.gz SSNWMGATNONICK-UHFFFAOYSA-N -1 1 345.399 2.357 20 0 EEADMM COc1ccccc1[C@H](C)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826218644 607530241 /nfs/dbraw/zinc/53/02/41/607530241.db2.gz HVSWIUKGNXUWTO-BUBHHJDNSA-N -1 1 343.412 2.280 20 0 EEADMM COc1ccccc1[C@H](C)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826218644 607530243 /nfs/dbraw/zinc/53/02/43/607530243.db2.gz HVSWIUKGNXUWTO-BUBHHJDNSA-N -1 1 343.412 2.280 20 0 EEADMM CCN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)[C@H](C)C(C)C ZINC000829713888 601876117 /nfs/dbraw/zinc/87/61/17/601876117.db2.gz RBKQTFMYSCLLPZ-CYBMUJFWSA-N -1 1 347.415 2.477 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000828237489 601926463 /nfs/dbraw/zinc/92/64/63/601926463.db2.gz BSSIYYNNISGHNN-MRLBHPIUSA-N -1 1 342.505 2.208 20 0 EEADMM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000833233907 602018575 /nfs/dbraw/zinc/01/85/75/602018575.db2.gz HVZKKWDXGBRPIC-CQSZACIVSA-N -1 1 327.384 2.333 20 0 EEADMM Cc1noc(CCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC000833022862 602039246 /nfs/dbraw/zinc/03/92/46/602039246.db2.gz JOXDBKUMQHAFTF-CYBMUJFWSA-N -1 1 344.415 2.220 20 0 EEADMM Cc1ccc(C(=O)NC2CC2)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826281752 607549786 /nfs/dbraw/zinc/54/97/86/607549786.db2.gz IQFCOXHOKCPCPO-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc(C(=O)NC2CC2)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826281752 607549787 /nfs/dbraw/zinc/54/97/87/607549787.db2.gz IQFCOXHOKCPCPO-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000827255397 602138519 /nfs/dbraw/zinc/13/85/19/602138519.db2.gz DFGJVSUVWDAGMJ-GFCCVEGCSA-N -1 1 342.399 2.289 20 0 EEADMM O=C(c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)N1CCCC1 ZINC000826474201 607547987 /nfs/dbraw/zinc/54/79/87/607547987.db2.gz FTDPBCONUGLRAA-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM O=C(c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)N1CCCC1 ZINC000826474201 607547988 /nfs/dbraw/zinc/54/79/88/607547988.db2.gz FTDPBCONUGLRAA-UHFFFAOYSA-N -1 1 349.398 2.110 20 0 EEADMM CCOc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000830044354 604419863 /nfs/dbraw/zinc/41/98/63/604419863.db2.gz MEMOLWCRBIFFMX-UHFFFAOYSA-N -1 1 348.321 2.478 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833439300 604864660 /nfs/dbraw/zinc/86/46/60/604864660.db2.gz QKHGQHFNQICKEC-KGLIPLIRSA-N -1 1 335.404 2.196 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n[nH]1 ZINC000833674704 605020117 /nfs/dbraw/zinc/02/01/17/605020117.db2.gz VAGVTNBPNWMHTI-SSDOTTSWSA-N -1 1 336.327 2.479 20 0 EEADMM CCN(c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1)C(C)C ZINC000833654769 605076709 /nfs/dbraw/zinc/07/67/09/605076709.db2.gz FHYNBKRFMJOQSQ-INIZCTEOSA-N -1 1 344.415 2.070 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000833626112 605103274 /nfs/dbraw/zinc/10/32/74/605103274.db2.gz NKTGCPKWHNPWMJ-CQSZACIVSA-N -1 1 348.443 2.485 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000833626239 605159495 /nfs/dbraw/zinc/15/94/95/605159495.db2.gz YZOWTQMZQRMDNA-UCRBLCQZSA-N -1 1 334.460 2.066 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2nc(CCC(=O)[O-])cs2)C[C@@H]1C ZINC000833655183 605164784 /nfs/dbraw/zinc/16/47/84/605164784.db2.gz AWPBQOAEWSQNGO-WDEREUQCSA-N -1 1 340.449 2.107 20 0 EEADMM CC(C)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824227800 607743854 /nfs/dbraw/zinc/74/38/54/607743854.db2.gz BZAOLCZSJSNCMU-SECBINFHSA-N -1 1 343.840 2.233 20 0 EEADMM CC(C)C[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824227800 607743855 /nfs/dbraw/zinc/74/38/55/607743855.db2.gz BZAOLCZSJSNCMU-SECBINFHSA-N -1 1 343.840 2.233 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C)n1C(C)C ZINC000833741841 605277627 /nfs/dbraw/zinc/27/76/27/605277627.db2.gz AJAVENOHDDJIRX-AWEZNQCLSA-N -1 1 335.448 2.307 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820211705 606138921 /nfs/dbraw/zinc/13/89/21/606138921.db2.gz VVAJBXNIHADBJZ-ZETCQYMHSA-N -1 1 334.361 2.353 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820211705 606138923 /nfs/dbraw/zinc/13/89/23/606138923.db2.gz VVAJBXNIHADBJZ-ZETCQYMHSA-N -1 1 334.361 2.353 20 0 EEADMM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820813369 606189141 /nfs/dbraw/zinc/18/91/41/606189141.db2.gz FMNDQGKFOJYMDN-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820813369 606189143 /nfs/dbraw/zinc/18/91/43/606189143.db2.gz FMNDQGKFOJYMDN-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000823294909 606195462 /nfs/dbraw/zinc/19/54/62/606195462.db2.gz XHVICVYFJDUWSU-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821605134 606491580 /nfs/dbraw/zinc/49/15/80/606491580.db2.gz WJOKBMKZJVFEMJ-UHFFFAOYSA-N -1 1 329.385 2.079 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821605134 606491581 /nfs/dbraw/zinc/49/15/81/606491581.db2.gz WJOKBMKZJVFEMJ-UHFFFAOYSA-N -1 1 329.385 2.079 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821666076 606515023 /nfs/dbraw/zinc/51/50/23/606515023.db2.gz XHXQGEKGWAXASE-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821666076 606515025 /nfs/dbraw/zinc/51/50/25/606515025.db2.gz XHXQGEKGWAXASE-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822280616 606549573 /nfs/dbraw/zinc/54/95/73/606549573.db2.gz UDQLDIFRNFMDJA-LLVKDONJSA-N -1 1 341.396 2.409 20 0 EEADMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822280616 606549576 /nfs/dbraw/zinc/54/95/76/606549576.db2.gz UDQLDIFRNFMDJA-LLVKDONJSA-N -1 1 341.396 2.409 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2O1 ZINC000820743415 606558182 /nfs/dbraw/zinc/55/81/82/606558182.db2.gz UFGQNZRPOVGQNU-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2O1 ZINC000820743415 606558184 /nfs/dbraw/zinc/55/81/84/606558184.db2.gz UFGQNZRPOVGQNU-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823224126 606561141 /nfs/dbraw/zinc/56/11/41/606561141.db2.gz QCUZBAJWWREDSX-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823224126 606561143 /nfs/dbraw/zinc/56/11/43/606561143.db2.gz QCUZBAJWWREDSX-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NC2CC(C)C2)c1-c1nn[n-]n1 ZINC000821988573 606578468 /nfs/dbraw/zinc/57/84/68/606578468.db2.gz FIKDLHXAZJVITN-UHFFFAOYSA-N -1 1 344.444 2.389 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1c1ccccc1 ZINC000823482921 606580358 /nfs/dbraw/zinc/58/03/58/606580358.db2.gz CFXZWFPWFIZXIO-GFCCVEGCSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1c1ccccc1 ZINC000823482921 606580359 /nfs/dbraw/zinc/58/03/59/606580359.db2.gz CFXZWFPWFIZXIO-GFCCVEGCSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(Nc1cc(C(F)(F)F)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823299439 606599832 /nfs/dbraw/zinc/59/98/32/606599832.db2.gz XHVSVTFRGWYQKZ-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM CCn1c(C)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000821563711 606647453 /nfs/dbraw/zinc/64/74/53/606647453.db2.gz BCUHDUNBGFOEQZ-UHFFFAOYSA-N -1 1 326.360 2.057 20 0 EEADMM CCn1c(C)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000821563711 606647454 /nfs/dbraw/zinc/64/74/54/606647454.db2.gz BCUHDUNBGFOEQZ-UHFFFAOYSA-N -1 1 326.360 2.057 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822231628 606648938 /nfs/dbraw/zinc/64/89/38/606648938.db2.gz BAVFQUOSQIWXOH-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822231628 606648939 /nfs/dbraw/zinc/64/89/39/606648939.db2.gz BAVFQUOSQIWXOH-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000823436032 606651614 /nfs/dbraw/zinc/65/16/14/606651614.db2.gz FJVNERXCTKXAQY-DNVCBOLYSA-N -1 1 347.378 2.209 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000823436032 606651615 /nfs/dbraw/zinc/65/16/15/606651615.db2.gz FJVNERXCTKXAQY-DNVCBOLYSA-N -1 1 347.378 2.209 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCO[C@@H]1CCOC1 ZINC000823798304 606801776 /nfs/dbraw/zinc/80/17/76/606801776.db2.gz WHHGNJRYKILOQE-GFCCVEGCSA-N -1 1 340.387 2.022 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCO[C@@H]1CCOC1 ZINC000823798304 606801777 /nfs/dbraw/zinc/80/17/77/606801777.db2.gz WHHGNJRYKILOQE-GFCCVEGCSA-N -1 1 340.387 2.022 20 0 EEADMM CCc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825721925 607867444 /nfs/dbraw/zinc/86/74/44/607867444.db2.gz BPLVRUYHKGLSBL-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM CCc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825721925 607867445 /nfs/dbraw/zinc/86/74/45/607867445.db2.gz BPLVRUYHKGLSBL-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM CCN(CC)C(=O)c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825406924 607894753 /nfs/dbraw/zinc/89/47/53/607894753.db2.gz UUMDORKHTADRCX-UHFFFAOYSA-N -1 1 337.387 2.487 20 0 EEADMM CCN(CC)C(=O)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825406924 607894754 /nfs/dbraw/zinc/89/47/54/607894754.db2.gz UUMDORKHTADRCX-UHFFFAOYSA-N -1 1 337.387 2.487 20 0 EEADMM O=C1CCCN1C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826480550 607900025 /nfs/dbraw/zinc/90/00/25/607900025.db2.gz GXVRWOSXUAZACK-OAHLLOKOSA-N -1 1 349.398 2.037 20 0 EEADMM O=C1CCCN1C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826480550 607900026 /nfs/dbraw/zinc/90/00/26/607900026.db2.gz GXVRWOSXUAZACK-OAHLLOKOSA-N -1 1 349.398 2.037 20 0 EEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826355174 607901844 /nfs/dbraw/zinc/90/18/44/607901844.db2.gz NJUNZQGQOMAHTI-HNNXBMFYSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826355174 607901845 /nfs/dbraw/zinc/90/18/45/607901845.db2.gz NJUNZQGQOMAHTI-HNNXBMFYSA-N -1 1 346.398 2.490 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826462269 607955987 /nfs/dbraw/zinc/95/59/87/607955987.db2.gz SPGHAHWCEJWFBE-RCOVLWMOSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826462269 607955988 /nfs/dbraw/zinc/95/59/88/607955988.db2.gz SPGHAHWCEJWFBE-RCOVLWMOSA-N -1 1 348.306 2.195 20 0 EEADMM COCC1(C)CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826152473 608297701 /nfs/dbraw/zinc/29/77/01/608297701.db2.gz AGOJYVQDHLUNIH-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM COCC1(C)CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826152473 608297703 /nfs/dbraw/zinc/29/77/03/608297703.db2.gz AGOJYVQDHLUNIH-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cn2cc(Cl)ccc2n1 ZINC000826280955 608543364 /nfs/dbraw/zinc/54/33/64/608543364.db2.gz XKCBLTUXRVMIIF-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC000969500597 675075602 /nfs/dbraw/zinc/07/56/02/675075602.db2.gz RZNLEEGXSIYCSY-JQWIXIFHSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)c(C)o1 ZINC000947236118 675987701 /nfs/dbraw/zinc/98/77/01/675987701.db2.gz RAKCNZLASZDGFP-FZMZJTMJSA-N -1 1 344.415 2.175 20 0 EEADMM C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1c(F)cncc1F ZINC000804823213 675649085 /nfs/dbraw/zinc/64/90/85/675649085.db2.gz GDCMWHWTHMPADD-ZETCQYMHSA-N -1 1 335.339 2.182 20 0 EEADMM Cc1nc(CN(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)sc1C ZINC000971395977 676521477 /nfs/dbraw/zinc/52/14/77/676521477.db2.gz ZJLYKQQBJVSXAO-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 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CCc1nc(C)cc(NCC2CC(NC(=O)c3ncccc3[O-])C2)n1 ZINC001067843402 1249755284 /nfs/dbraw/zinc/75/52/84/1249755284.db2.gz HJTUWYSJFAOYFE-UHFFFAOYSA-N -1 1 341.415 2.069 20 0 EEADMM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(C(F)F)[nH]2)cc1C ZINC000903150620 1239878536 /nfs/dbraw/zinc/87/85/36/1239878536.db2.gz VFZASKYNHXZDPW-UHFFFAOYSA-N -1 1 332.332 2.169 20 0 EEADMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C)s1)C(F)(F)F ZINC000903230851 1240053122 /nfs/dbraw/zinc/05/31/22/1240053122.db2.gz GGYWUZWPXLVRGF-SNVBAGLBSA-N -1 1 345.364 2.219 20 0 EEADMM CC1(C)CCC[C@H](CC(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001000696545 1240752094 /nfs/dbraw/zinc/75/20/94/1240752094.db2.gz QUTZIFOTBMJORM-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM O=C([O-])c1cccc(CN2CCC3(CC2)COCCO3)c1Cl ZINC000903621156 1241211312 /nfs/dbraw/zinc/21/13/12/1241211312.db2.gz RGNVCXUBKUCNOZ-UHFFFAOYSA-N -1 1 325.792 2.420 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)s1 ZINC001001022151 1241467379 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/nfs/dbraw/zinc/74/10/87/1251741087.db2.gz BBWQRNSRXYPGNG-OCCSQVGLSA-N -1 1 349.394 2.446 20 0 EEADMM Cc1n[n-]c(=NC[C@H]2CCCN(C3CC3)[C@@H]2c2ccnn2C)s1 ZINC000344448386 1278548538 /nfs/dbraw/zinc/54/85/38/1278548538.db2.gz WBKBWVZTTVKZJE-DOMZBBRYSA-N -1 1 332.477 2.030 20 0 EEADMM COc1cc([C@H](C)[N-]S(=O)(=O)C(Cl)(Cl)Cl)ccn1 ZINC001192054293 1281787737 /nfs/dbraw/zinc/78/77/37/1281787737.db2.gz RMBOXMWUDCNBBQ-LURJTMIESA-N -1 1 333.624 2.398 20 0 EEADMM CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)c1cccc([S-])c1 ZINC001186148287 1278972489 /nfs/dbraw/zinc/97/24/89/1278972489.db2.gz CWRSCTNPZQULIE-AWEZNQCLSA-N -1 1 331.397 2.001 20 0 EEADMM Cc1cn2cc([N-]S(=O)(=O)c3ccc4nsnc4c3)ccc2n1 ZINC001186232457 1278997792 /nfs/dbraw/zinc/99/77/92/1278997792.db2.gz LLLKTKBVSKEBHX-UHFFFAOYSA-N -1 1 345.409 2.448 20 0 EEADMM CN(C)c1nc(NC(=O)NCCc2ccc(F)cc2)c(N=O)c(=O)[n-]1 ZINC001186247407 1279004486 /nfs/dbraw/zinc/00/44/86/1279004486.db2.gz BSAYBOYLPJMLOO-UHFFFAOYSA-N -1 1 348.338 2.149 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(C)c2C)[n-]1 ZINC000851196179 1277508853 /nfs/dbraw/zinc/50/88/53/1277508853.db2.gz ZOQGZKJPUIJRLC-OAHLLOKOSA-N -1 1 345.351 2.489 20 0 EEADMM COc1cc(OC)cc([C@H](C)NC(=O)c2n[n-]nc2C(F)(F)F)c1 ZINC001187771110 1279630108 /nfs/dbraw/zinc/63/01/08/1279630108.db2.gz VSICXCXNEFIRFX-ZETCQYMHSA-N -1 1 344.293 2.332 20 0 EEADMM O=C(Nc1ccc(C2OCCO2)cc1)c1n[n-]nc1C(F)(F)F ZINC001187766275 1279649366 /nfs/dbraw/zinc/64/93/66/1279649366.db2.gz NNVJAIGEZIVWCC-UHFFFAOYSA-N -1 1 328.250 2.121 20 0 EEADMM COC(=O)CCS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1F ZINC001188380360 1279857366 /nfs/dbraw/zinc/85/73/66/1279857366.db2.gz CGVSEEHMKNJOGG-UHFFFAOYSA-N -1 1 329.271 2.149 20 0 EEADMM Cc1cnn(CCO)c1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572963 1279936521 /nfs/dbraw/zinc/93/65/21/1279936521.db2.gz YGUBFQFCXURBDS-UHFFFAOYSA-N -1 1 329.278 2.161 20 0 EEADMM O=C(NCc1cc(-c2ccc3c(c2)OCO3)no1)c1ccncc1[O-] ZINC001188644334 1279944937 /nfs/dbraw/zinc/94/49/37/1279944937.db2.gz ABMVWZRPKNXTRZ-UHFFFAOYSA-N -1 1 339.307 2.101 20 0 EEADMM CCCCOC(=O)[C@H](C)NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190267655 1280766858 /nfs/dbraw/zinc/76/68/58/1280766858.db2.gz LWGDAOOHEDAZHH-LBPRGKRZSA-N -1 1 343.383 2.311 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1csc(-c2ccncc2)n1 ZINC001190334182 1280820678 /nfs/dbraw/zinc/82/06/78/1280820678.db2.gz KFNAVLYKJNMNGX-UHFFFAOYSA-N -1 1 344.312 2.057 20 0 EEADMM O=C(NCc1cccc2n[nH]cc21)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190629677 1280986763 /nfs/dbraw/zinc/98/67/63/1280986763.db2.gz VCHASGKFRYRGCT-UHFFFAOYSA-N -1 1 346.350 2.051 20 0 EEADMM O=C1c2cc([N-]S(=O)(=O)c3ccncc3)ccc2CN1C1CC1 ZINC001190904345 1281144317 /nfs/dbraw/zinc/14/43/17/1281144317.db2.gz ZIERJYPWNXTZNP-UHFFFAOYSA-N -1 1 329.381 2.001 20 0 EEADMM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)C(Cl)(Cl)Cl ZINC001191996330 1281739803 /nfs/dbraw/zinc/73/98/03/1281739803.db2.gz IGOHYNVLRFSWAX-UHFFFAOYSA-N -1 1 346.619 2.205 20 0 EEADMM COc1ccc(CC[N-]S(=O)(=O)C(Cl)(Cl)Cl)cc1O ZINC001192044227 1281776797 /nfs/dbraw/zinc/77/67/97/1281776797.db2.gz NNROTLHADKZWAB-UHFFFAOYSA-N -1 1 348.635 2.190 20 0 EEADMM COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccco1 ZINC000867071725 1281930490 /nfs/dbraw/zinc/93/04/90/1281930490.db2.gz KENLNAUXRBRDQM-SECBINFHSA-N -1 1 332.328 2.009 20 0 EEADMM CSc1ncc2c(n1)CN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001192536449 1282053051 /nfs/dbraw/zinc/05/30/51/1282053051.db2.gz VEIHLPHBJQHBOL-UHFFFAOYSA-N -1 1 337.351 2.381 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([O-])cc(F)c2F)C1 ZINC001192665683 1282124186 /nfs/dbraw/zinc/12/41/86/1282124186.db2.gz SWJKYPVQFHWYAW-UHFFFAOYSA-N -1 1 328.315 2.321 20 0 EEADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001193205987 1282379813 /nfs/dbraw/zinc/37/98/13/1282379813.db2.gz OXMUOOQFKAQFAX-LURJTMIESA-N -1 1 346.277 2.299 20 0 EEADMM COc1ccnc(C(=O)Nc2ccc(-n3ccccc3=O)cc2)c1[O-] ZINC001193530912 1282539075 /nfs/dbraw/zinc/53/90/75/1282539075.db2.gz BDGCHUAYZBJBJR-UHFFFAOYSA-N -1 1 337.335 2.199 20 0 EEADMM N=c1c(N)cnc(Cl)n1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735266 1282685744 /nfs/dbraw/zinc/68/57/44/1282685744.db2.gz MICLZOHOWRPCGI-UHFFFAOYSA-N -1 1 332.669 2.011 20 0 EEADMM O=C(Nc1nc[nH]c(=O)c1Br)c1ccc(F)c([O-])c1F ZINC001193770087 1282723552 /nfs/dbraw/zinc/72/35/52/1282723552.db2.gz MCSVGUWVROWTPU-UHFFFAOYSA-N -1 1 346.087 2.181 20 0 EEADMM COC(=O)c1ccc(F)c(F)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193924046 1282787831 /nfs/dbraw/zinc/78/78/31/1282787831.db2.gz HGKZBSVVBSEYHF-UHFFFAOYSA-N -1 1 342.323 2.134 20 0 EEADMM CSc1cncc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001194084197 1282884031 /nfs/dbraw/zinc/88/40/31/1282884031.db2.gz XDKDFVFJARUUNX-UHFFFAOYSA-N -1 1 334.361 2.015 20 0 EEADMM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO[C@H]1C1CC1 ZINC000867095981 1282914227 /nfs/dbraw/zinc/91/42/27/1282914227.db2.gz HGBVWBOKHBEVJL-WCQYABFASA-N -1 1 334.800 2.110 20 0 EEADMM O=C(Nc1cncnc1Br)c1c[n-]c(C(F)(F)F)n1 ZINC001194770699 1283298511 /nfs/dbraw/zinc/29/85/11/1283298511.db2.gz NKCZAUQYLAWYDS-UHFFFAOYSA-N -1 1 336.071 2.233 20 0 EEADMM COc1ccccc1OC(=O)N1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001195254464 1283501337 /nfs/dbraw/zinc/50/13/37/1283501337.db2.gz YEEGEMAVMYVWDI-UHFFFAOYSA-N -1 1 346.305 2.337 20 0 EEADMM COc1cccc(OC2CCN(C(=O)c3nc(C)ccc3[O-])CC2)n1 ZINC001195326605 1283516781 /nfs/dbraw/zinc/51/67/81/1283516781.db2.gz RSHAUQKRWOLEEF-UHFFFAOYSA-N -1 1 343.383 2.183 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCc2cc3c(cc2C1)OCO3 ZINC001195299091 1283524329 /nfs/dbraw/zinc/52/43/29/1283524329.db2.gz HGCBGJXPLLSMSB-UHFFFAOYSA-N -1 1 332.743 2.368 20 0 EEADMM COC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1cc([O-])cnc1Cl ZINC001195311936 1283528490 /nfs/dbraw/zinc/52/84/90/1283528490.db2.gz DJCPXOCWYDDQIT-KRWDZBQOSA-N -1 1 348.786 2.345 20 0 EEADMM O=C(NC[C@H]1CN(c2ccccc2)CCO1)c1cc([O-])cnc1Cl ZINC001195315057 1283529723 /nfs/dbraw/zinc/52/97/23/1283529723.db2.gz MHLCYFPWQJONEA-AWEZNQCLSA-N -1 1 347.802 2.076 20 0 EEADMM O=C1CCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195802395 1283753870 /nfs/dbraw/zinc/75/38/70/1283753870.db2.gz BDRBUFFCJRGDOA-UHFFFAOYSA-N -1 1 346.408 2.315 20 0 EEADMM O=C(c1c[nH]c(=S)[n-]c1=O)N1CCc2c3ccccc3oc2C1 ZINC001196016326 1283854600 /nfs/dbraw/zinc/85/46/00/1283854600.db2.gz SHFMORSRPKCYIQ-UHFFFAOYSA-N -1 1 327.365 2.416 20 0 EEADMM CCOCCN(C)C(=O)c1ccc(I)cc1[O-] ZINC000867199676 1284271341 /nfs/dbraw/zinc/27/13/41/1284271341.db2.gz RXYSFRZWKCDBIF-UHFFFAOYSA-N -1 1 349.168 2.105 20 0 EEADMM Cc1cccc(C)c1OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000103937482 1284776500 /nfs/dbraw/zinc/77/65/00/1284776500.db2.gz IXORQZVZFFESAJ-UHFFFAOYSA-N -1 1 325.368 2.404 20 0 EEADMM COc1c(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc(F)c1F ZINC001198790488 1285337018 /nfs/dbraw/zinc/33/70/18/1285337018.db2.gz WAEZHKMLQBAMFX-UHFFFAOYSA-N -1 1 343.307 2.472 20 0 EEADMM CSc1nc(NC(=O)c2cncc(OC(F)F)c2)cc(=O)[n-]1 ZINC001199296006 1285579920 /nfs/dbraw/zinc/57/99/20/1285579920.db2.gz GKIZULAVGHVABU-UHFFFAOYSA-N -1 1 328.300 2.153 20 0 EEADMM CN(C)c1cccc(C(=O)Nc2nc(Br)ccc2[O-])n1 ZINC001199784152 1285825892 /nfs/dbraw/zinc/82/58/92/1285825892.db2.gz ATCNRMQHOXROJZ-UHFFFAOYSA-N -1 1 337.177 2.263 20 0 EEADMM CCC(C)(C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648619 1286507101 /nfs/dbraw/zinc/50/71/01/1286507101.db2.gz QWFLKBHFFFXGHZ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM O=S(=O)([N-]C[C@H](O)C1CC1)c1cc(Cl)c(Cl)cc1F ZINC001201282490 1289398948 /nfs/dbraw/zinc/39/89/48/1289398948.db2.gz HGZKARWHLJGDHQ-JTQLQIEISA-N -1 1 328.192 2.182 20 0 EEADMM C[C@@]1(O)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201276538 1289433648 /nfs/dbraw/zinc/43/36/48/1289433648.db2.gz PHPBAQLCANYCJU-MHWOZMEASA-N -1 1 328.192 2.324 20 0 EEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201278028 1289438899 /nfs/dbraw/zinc/43/88/99/1289438899.db2.gz RIOXXVKIKWZCSD-SSDOTTSWSA-N -1 1 327.208 2.115 20 0 EEADMM O=C(CCCn1ccnc1)Nc1nc(Br)ccc1[O-] ZINC000121589793 1289658672 /nfs/dbraw/zinc/65/86/72/1289658672.db2.gz DXPDIVAGGGVBMX-UHFFFAOYSA-N -1 1 325.166 2.165 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1nc[nH]c1Br ZINC000867400600 1289695519 /nfs/dbraw/zinc/69/55/19/1289695519.db2.gz CVRWTSNHMBRBHK-UWVGGRQHSA-N -1 1 348.266 2.277 20 0 EEADMM COc1ccc(CC[N-]S(=O)(=O)c2sc(Cl)nc2C)cn1 ZINC001201763858 1289747459 /nfs/dbraw/zinc/74/74/59/1289747459.db2.gz GBIBATXTYBRFPL-UHFFFAOYSA-N -1 1 347.849 2.030 20 0 EEADMM Cc1ccnc(NC[C@H](NC(=O)c2ncccc2[O-])C2CCCC2)n1 ZINC001110656413 1292230289 /nfs/dbraw/zinc/23/02/89/1292230289.db2.gz BQJSGBLULVNDDT-AWEZNQCLSA-N -1 1 341.415 2.286 20 0 EEADMM O=C(C[C@@H]1CC(=O)N1)Nc1c([O-])cc(Br)cc1Cl ZINC000854433305 1292781393 /nfs/dbraw/zinc/78/13/93/1292781393.db2.gz ZMTNAOSQXUPLAH-LURJTMIESA-N -1 1 333.569 2.025 20 0 EEADMM COC(=O)[C@H]([N-]C(=O)C(C)(F)F)c1ccccc1Br ZINC000855699299 1293300953 /nfs/dbraw/zinc/30/09/53/1293300953.db2.gz YXPQVUUTGPLWNT-SECBINFHSA-N -1 1 336.132 2.435 20 0 EEADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)[C@]1(O)CCCOC1 ZINC000856145385 1293421878 /nfs/dbraw/zinc/42/18/78/1293421878.db2.gz SHFLMYMOOJSDCN-INIZCTEOSA-N -1 1 327.808 2.343 20 0 EEADMM C[C@H](O)c1ncc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)s1 ZINC000857471878 1293834811 /nfs/dbraw/zinc/83/48/11/1293834811.db2.gz KNZVQSVRTMIVKG-BYPYZUCNSA-N -1 1 338.336 2.405 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccnc(OC)c2OC)c1 ZINC001211087530 1295673097 /nfs/dbraw/zinc/67/30/97/1295673097.db2.gz CZVWDPNCNQCGOC-UHFFFAOYSA-N -1 1 338.385 2.342 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC(c2ncco2)CC1 ZINC000862107891 1295700039 /nfs/dbraw/zinc/70/00/39/1295700039.db2.gz RASZCUWRFDJTHS-UHFFFAOYSA-N -1 1 329.385 2.026 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cncc(C(=O)OC)c2)c1 ZINC001211455205 1295905486 /nfs/dbraw/zinc/90/54/86/1295905486.db2.gz CODBYNATNDUUTC-UHFFFAOYSA-N -1 1 336.369 2.111 20 0 EEADMM COc1cc(Nc2cccnc2N2CCN(C)CC2)cc(C(=O)[O-])c1 ZINC001213585317 1296097680 /nfs/dbraw/zinc/09/76/80/1296097680.db2.gz TXTYMFQDMCVORQ-UHFFFAOYSA-N -1 1 342.399 2.284 20 0 EEADMM O=C1CCOc2cc(-c3noc(-c4c[nH]c(=S)[n-]c4=O)n3)ccc21 ZINC001213866774 1296199037 /nfs/dbraw/zinc/19/90/37/1296199037.db2.gz JXGQBDPBJMDAOS-UHFFFAOYSA-N -1 1 342.336 2.153 20 0 EEADMM O=C(Cc1[nH]nc2c1CCCC2)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476372 1296300476 /nfs/dbraw/zinc/30/04/76/1296300476.db2.gz BTRZKRWRPPIMQA-UHFFFAOYSA-N -1 1 337.383 2.361 20 0 EEADMM COc1ncc(Nc2cc(CC(C)C)no2)cc1[N-]S(C)(=O)=O ZINC001216151706 1297081615 /nfs/dbraw/zinc/08/16/15/1297081615.db2.gz GQBMTFQUONSJOK-UHFFFAOYSA-N -1 1 340.405 2.392 20 0 EEADMM COc1ncc(Nc2cc(F)c(C)cc2N)cc1[N-]S(C)(=O)=O ZINC001216155622 1297085340 /nfs/dbraw/zinc/08/53/40/1297085340.db2.gz NYNLLISCVSBODN-UHFFFAOYSA-N -1 1 340.380 2.235 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])CC2(C)C)CC1 ZINC001073493421 1297139938 /nfs/dbraw/zinc/13/99/38/1297139938.db2.gz XMLUICKHMZMFMJ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)CNC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001216456641 1297174896 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ZKPUIKZYBIPITO-LLVKDONJSA-N -1 1 334.788 2.144 20 0 EEADMM CC(C)(C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)C1CCCC1 ZINC001165514639 1321538671 /nfs/dbraw/zinc/53/86/71/1321538671.db2.gz RFMZFIDNPDBTND-UHFFFAOYSA-N -1 1 349.479 2.103 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001262183335 1322252096 /nfs/dbraw/zinc/25/20/96/1322252096.db2.gz RXDJQSWDLSVFEB-CMPLNLGQSA-N -1 1 340.214 2.379 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)CC(=O)c1cccs1 ZINC001263769622 1322512357 /nfs/dbraw/zinc/51/23/57/1322512357.db2.gz DTVVOCGLSNBBJX-ZETCQYMHSA-N -1 1 337.426 2.232 20 0 EEADMM Nc1cncc(S(=O)(=O)[N-]c2cccc(Br)c2F)c1 ZINC000701798743 1323354812 /nfs/dbraw/zinc/35/48/12/1323354812.db2.gz KIRIYCZUAQHXMA-UHFFFAOYSA-N -1 1 346.181 2.366 20 0 EEADMM Oc1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn[nH]c2)c1F ZINC001276492775 1323596100 /nfs/dbraw/zinc/59/61/00/1323596100.db2.gz YVVCKXZQCLZWRT-BETUJISGSA-N -1 1 334.370 2.242 20 0 EEADMM [O-]c1cccnc1CN1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001276591818 1324699920 /nfs/dbraw/zinc/69/99/20/1324699920.db2.gz QHYNBTLVRHWILU-UHFFFAOYSA-N -1 1 335.411 2.124 20 0 EEADMM CC(C)=CCC[C@@H](C)CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001209755842 1325035309 /nfs/dbraw/zinc/03/53/09/1325035309.db2.gz PTTNLLCKLLNEJH-CABCVRRESA-N -1 1 349.479 2.364 20 0 EEADMM COc1ncc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1C ZINC001210316406 1325240489 /nfs/dbraw/zinc/24/04/89/1325240489.db2.gz UXWCCSPZYDZMGI-UHFFFAOYSA-N -1 1 327.793 2.435 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccnc(OC3CC3)c2)c1 ZINC001210751919 1325416112 /nfs/dbraw/zinc/41/61/12/1325416112.db2.gz MRYLAMKBZJZADY-UHFFFAOYSA-N -1 1 349.368 2.338 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)nc2ccccc12 ZINC001600083024 1349967389 /nfs/dbraw/zinc/96/73/89/1349967389.db2.gz MTQRQMROXLXIFG-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001601324796 1350257661 /nfs/dbraw/zinc/25/76/61/1350257661.db2.gz HDEDOHZAZQIOSF-KRWDZBQOSA-N -1 1 331.416 2.068 20 0 EEADMM O=C([O-])C[C@H](NC(=O)CCN1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC001602115650 1350442313 /nfs/dbraw/zinc/44/23/13/1350442313.db2.gz UDPGHPBGWLNFPQ-KBPBESRZSA-N -1 1 342.798 2.406 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2ccsc2-c2nnn[n-]2)ccn1 ZINC001603359741 1350695004 /nfs/dbraw/zinc/69/50/04/1350695004.db2.gz ZSFXUDHHAHCYKS-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2ccsc2-c2nn[n-]n2)ccn1 ZINC001603359741 1350695009 /nfs/dbraw/zinc/69/50/09/1350695009.db2.gz ZSFXUDHHAHCYKS-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM COC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC001605055006 1351067704 /nfs/dbraw/zinc/06/77/04/1351067704.db2.gz FGDBVMULTOICFR-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM COC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC001605055006 1351067708 /nfs/dbraw/zinc/06/77/08/1351067708.db2.gz FGDBVMULTOICFR-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM COc1cccc(C[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605316756 1351134543 /nfs/dbraw/zinc/13/45/43/1351134543.db2.gz FHOPZLZDQVPGSI-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM COc1cccc(C[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605316756 1351134545 /nfs/dbraw/zinc/13/45/45/1351134545.db2.gz FHOPZLZDQVPGSI-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM COc1cccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)c1F ZINC001605317080 1351134902 /nfs/dbraw/zinc/13/49/02/1351134902.db2.gz JLYXVAXLFMPJCF-UHFFFAOYSA-N -1 1 346.318 2.283 20 0 EEADMM COc1cccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)c1F ZINC001605317080 1351134906 /nfs/dbraw/zinc/13/49/06/1351134906.db2.gz JLYXVAXLFMPJCF-UHFFFAOYSA-N -1 1 346.318 2.283 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCC[C@@H](F)C1 ZINC001606950093 1351382780 /nfs/dbraw/zinc/38/27/80/1351382780.db2.gz PUJZJXANHYHXDR-NTSWFWBYSA-N -1 1 330.776 2.443 20 0 EEADMM Fc1ccc(C2(CNc3cc(-c4nnn[n-]4)ncn3)CC2)c(F)c1 ZINC001606317370 1351292277 /nfs/dbraw/zinc/29/22/77/1351292277.db2.gz XHMXAJFIJYNPFP-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Fc1ccc(C2(CNc3cc(-c4nn[n-]n4)ncn3)CC2)c(F)c1 ZINC001606317370 1351292280 /nfs/dbraw/zinc/29/22/80/1351292280.db2.gz XHMXAJFIJYNPFP-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Cc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(F)c1F ZINC001301650691 1331307613 /nfs/dbraw/zinc/30/76/13/1331307613.db2.gz UFFVPERMYSTEHL-AWEZNQCLSA-N -1 1 329.310 2.306 20 0 EEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C[C@H](C)CO)c1 ZINC001607200929 1351448219 /nfs/dbraw/zinc/44/82/19/1351448219.db2.gz ZDFPZKQDSCANGY-ZANVPECISA-N -1 1 346.221 2.144 20 0 EEADMM Cc1cc([C@H](NC(=O)c2ccc3cncn3c2)C(=O)[O-])ccc1F ZINC001607614223 1351525345 /nfs/dbraw/zinc/52/53/45/1351525345.db2.gz DQZCBUHIQWTWAO-HNNXBMFYSA-N -1 1 327.315 2.338 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(-n2ccnn2)ccc1F ZINC001306827621 1331490021 /nfs/dbraw/zinc/49/00/21/1331490021.db2.gz SAKBPUUKTPEFPU-UHFFFAOYSA-N -1 1 333.710 2.413 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CN2CCN(c3cccc(Cl)c3)CC2)C1(F)F ZINC001608596063 1351722901 /nfs/dbraw/zinc/72/29/01/1351722901.db2.gz HOBXPSCAINYTIA-CHWSQXEVSA-N -1 1 330.762 2.428 20 0 EEADMM O=C([O-])CC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC001608707877 1351745799 /nfs/dbraw/zinc/74/57/99/1351745799.db2.gz VRGQJYSXENDSDD-SWLSCSKDSA-N -1 1 348.374 2.034 20 0 EEADMM O=C([O-])CCNC(=O)CCNCc1ccc(F)c(Cl)c1Cl ZINC001608728478 1351750734 /nfs/dbraw/zinc/75/07/34/1351750734.db2.gz GYSQTSKUKPTLEM-UHFFFAOYSA-N -1 1 337.178 2.203 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC001608731621 1351751230 /nfs/dbraw/zinc/75/12/30/1351751230.db2.gz DZJVBIJBCILNLW-GOSISDBHSA-N -1 1 340.379 2.366 20 0 EEADMM O=C([O-])CSCCC(=O)Nc1ccccc1Nc1ccncc1 ZINC001608767204 1351758791 /nfs/dbraw/zinc/75/87/91/1351758791.db2.gz QLKFXGBYQBDOBV-UHFFFAOYSA-N -1 1 331.397 2.394 20 0 EEADMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319780923 1332766352 /nfs/dbraw/zinc/76/63/52/1332766352.db2.gz AORQJMNIPQBHSE-JTQLQIEISA-N -1 1 341.260 2.464 20 0 EEADMM O=C([O-])c1cnc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)s1 ZINC001608972785 1351805576 /nfs/dbraw/zinc/80/55/76/1351805576.db2.gz NOFGZDRFFMAGNL-JTQLQIEISA-N -1 1 342.367 2.060 20 0 EEADMM O=C([N-]OCCC(F)(F)F)[C@H]1CCCCN1Cc1ccncc1 ZINC001320774206 1332950303 /nfs/dbraw/zinc/95/03/03/1332950303.db2.gz CVQWBPVBFREVSC-CYBMUJFWSA-N -1 1 331.338 2.436 20 0 EEADMM O=Cc1[nH]nc2cc(C(=O)OCc3ccc(C(=O)[O-])s3)ccc12 ZINC001609050142 1351823389 /nfs/dbraw/zinc/82/33/89/1351823389.db2.gz NCKMONCXBQZYHG-UHFFFAOYSA-N -1 1 330.321 2.492 20 0 EEADMM CC(=O)c1ccc2c(c1)CN(Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001609067054 1351830369 /nfs/dbraw/zinc/83/03/69/1351830369.db2.gz LCUSFHQFPFAHIB-UHFFFAOYSA-N -1 1 326.385 2.042 20 0 EEADMM CC(=O)c1ccc2c(c1)CN(Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001609067054 1351830373 /nfs/dbraw/zinc/83/03/73/1351830373.db2.gz LCUSFHQFPFAHIB-UHFFFAOYSA-N -1 1 326.385 2.042 20 0 EEADMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)C1(C)C ZINC001324858712 1333774933 /nfs/dbraw/zinc/77/49/33/1333774933.db2.gz HYFIBWXVNMDHRJ-NXEZZACHSA-N -1 1 339.244 2.480 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609164988 1351872543 /nfs/dbraw/zinc/87/25/43/1351872543.db2.gz BEQHLGYWPWERME-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609164988 1351872546 /nfs/dbraw/zinc/87/25/46/1351872546.db2.gz BEQHLGYWPWERME-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCC1(F)F ZINC001609175445 1351877713 /nfs/dbraw/zinc/87/77/13/1351877713.db2.gz QWRRRBQTQIMARB-VIFPVBQESA-N -1 1 331.330 2.291 20 0 EEADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCC1(F)F ZINC001609175445 1351877716 /nfs/dbraw/zinc/87/77/16/1351877716.db2.gz QWRRRBQTQIMARB-VIFPVBQESA-N -1 1 331.330 2.291 20 0 EEADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc2O1 ZINC001609201848 1351888605 /nfs/dbraw/zinc/88/86/05/1351888605.db2.gz RUROHQRNDZORRX-LLVKDONJSA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc2O1 ZINC001609201848 1351888608 /nfs/dbraw/zinc/88/86/08/1351888608.db2.gz RUROHQRNDZORRX-LLVKDONJSA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H](CC)O1 ZINC001609202982 1351889726 /nfs/dbraw/zinc/88/97/26/1351889726.db2.gz TYKXASUGZXVRLM-VXGBXAGGSA-N -1 1 339.403 2.204 20 0 EEADMM CC[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H](CC)O1 ZINC001609202982 1351889729 /nfs/dbraw/zinc/88/97/29/1351889729.db2.gz TYKXASUGZXVRLM-VXGBXAGGSA-N -1 1 339.403 2.204 20 0 EEADMM CCCCN(CCCC)C(=O)COc1cccnc1-c1nnn[n-]1 ZINC001609209861 1351892883 /nfs/dbraw/zinc/89/28/83/1351892883.db2.gz HQOHBIGCZBSFCJ-UHFFFAOYSA-N -1 1 332.408 2.069 20 0 EEADMM CCCCN(CCCC)C(=O)COc1cccnc1-c1nn[n-]n1 ZINC001609209861 1351892888 /nfs/dbraw/zinc/89/28/88/1351892888.db2.gz HQOHBIGCZBSFCJ-UHFFFAOYSA-N -1 1 332.408 2.069 20 0 EEADMM CCCN(CCc1cccs1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609213705 1351894893 /nfs/dbraw/zinc/89/48/93/1351894893.db2.gz RKLIUPLQOBNFGK-UHFFFAOYSA-N -1 1 342.428 2.418 20 0 EEADMM CCCN(CCc1cccs1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609213705 1351894895 /nfs/dbraw/zinc/89/48/95/1351894895.db2.gz RKLIUPLQOBNFGK-UHFFFAOYSA-N -1 1 342.428 2.418 20 0 EEADMM CN(Cc1ccc(F)cc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609278947 1351919846 /nfs/dbraw/zinc/91/98/46/1351919846.db2.gz CNWMFPCHSOJXFR-UHFFFAOYSA-N -1 1 329.310 2.417 20 0 EEADMM CN(Cc1ccc(F)cc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609278947 1351919847 /nfs/dbraw/zinc/91/98/47/1351919847.db2.gz CNWMFPCHSOJXFR-UHFFFAOYSA-N -1 1 329.310 2.417 20 0 EEADMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cnoc3C)n2)cc1 ZINC001328487653 1334466733 /nfs/dbraw/zinc/46/67/33/1334466733.db2.gz MCHAABDIJYTRGM-UHFFFAOYSA-N -1 1 332.385 2.304 20 0 EEADMM CCc1ccc(-c2nc(S(=O)(=O)Cc3cnoc3C)n[n-]2)cc1 ZINC001328487653 1334466735 /nfs/dbraw/zinc/46/67/35/1334466735.db2.gz MCHAABDIJYTRGM-UHFFFAOYSA-N -1 1 332.385 2.304 20 0 EEADMM COC[C@@H](Cc1ccccc1)N(C)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609318234 1351931059 /nfs/dbraw/zinc/93/10/59/1351931059.db2.gz WPQIGTLAYGDFOB-MRXNPFEDSA-N -1 1 338.415 2.264 20 0 EEADMM COC[C@@H](Cc1ccccc1)N(C)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609318234 1351931060 /nfs/dbraw/zinc/93/10/60/1351931060.db2.gz WPQIGTLAYGDFOB-MRXNPFEDSA-N -1 1 338.415 2.264 20 0 EEADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609331780 1351935472 /nfs/dbraw/zinc/93/54/72/1351935472.db2.gz DNDSRIZYZJKIQL-NEPJUHHUSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609331780 1351935474 /nfs/dbraw/zinc/93/54/74/1351935474.db2.gz DNDSRIZYZJKIQL-NEPJUHHUSA-N -1 1 330.392 2.092 20 0 EEADMM COc1ccc(CN(C)Cc2nc(-c3nnn[n-]3)cs2)cc1F ZINC001609355112 1351944453 /nfs/dbraw/zinc/94/44/53/1351944453.db2.gz HTCKZAIRUJNMRU-UHFFFAOYSA-N -1 1 334.380 2.103 20 0 EEADMM COc1ccc(CN(C)Cc2nc(-c3nn[n-]n3)cs2)cc1F ZINC001609355112 1351944457 /nfs/dbraw/zinc/94/44/57/1351944457.db2.gz HTCKZAIRUJNMRU-UHFFFAOYSA-N -1 1 334.380 2.103 20 0 EEADMM COc1ccc(C[C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609354088 1351942935 /nfs/dbraw/zinc/94/29/35/1351942935.db2.gz KUFJXISMVRXSJG-NSHDSACASA-N -1 1 341.371 2.172 20 0 EEADMM COc1ccc(C[C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609354088 1351942936 /nfs/dbraw/zinc/94/29/36/1351942936.db2.gz KUFJXISMVRXSJG-NSHDSACASA-N -1 1 341.371 2.172 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC1(C)COC1 ZINC001609402587 1351962417 /nfs/dbraw/zinc/96/24/17/1351962417.db2.gz AWHDYPZTYOCYCY-UHFFFAOYSA-N -1 1 345.790 2.180 20 0 EEADMM Cc1ccc(-c2nc(CCNc3ncncc3-c3nn[n-]n3)co2)cc1 ZINC001609414028 1351966865 /nfs/dbraw/zinc/96/68/65/1351966865.db2.gz KLDHHOFWRCTHPW-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(OC(F)F)c(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001609426986 1351972309 /nfs/dbraw/zinc/97/23/09/1351972309.db2.gz CZDHSMYVCWATIJ-UHFFFAOYSA-N -1 1 347.325 2.295 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609420210 1351969744 /nfs/dbraw/zinc/96/97/44/1351969744.db2.gz YLBFNPBLICSRHR-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609420210 1351969748 /nfs/dbraw/zinc/96/97/48/1351969748.db2.gz YLBFNPBLICSRHR-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1ccn(CN2CCC[C@H]2c2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC001609438123 1351976786 /nfs/dbraw/zinc/97/67/86/1351976786.db2.gz RQCMGLIOMJACPI-HNNXBMFYSA-N -1 1 336.399 2.131 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001609444762 1351980611 /nfs/dbraw/zinc/98/06/11/1351980611.db2.gz RJDDFSKHLCTERX-GHMZBOCLSA-N -1 1 343.778 2.294 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H]2CCCc3sccc32)c1-c1nn[n-]n1 ZINC001609444900 1351980641 /nfs/dbraw/zinc/98/06/41/1351980641.db2.gz YKPKFADXGINMCI-VIFPVBQESA-N -1 1 329.389 2.018 20 0 EEADMM Cc1[nH]nc(NC(=O)C[C@H](C)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC001609444640 1351980677 /nfs/dbraw/zinc/98/06/77/1351980677.db2.gz LYVQJBMJICXTIT-ZETCQYMHSA-N -1 1 347.329 2.309 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2cncc3ccccc32)c1-c1nn[n-]n1 ZINC001609444906 1351980837 /nfs/dbraw/zinc/98/08/37/1351980837.db2.gz YSYRVVJGQULVMP-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC001609444470 1351980947 /nfs/dbraw/zinc/98/09/47/1351980947.db2.gz DSMUAEFHEAFFOX-GZMMTYOYSA-N -1 1 341.375 2.186 20 0 EEADMM Cc1nnc([C@H](C)Nc2nc(Cl)c(-c3nnn[n-]3)s2)s1 ZINC001609460591 1351985354 /nfs/dbraw/zinc/98/53/54/1351985354.db2.gz WKOWWPSJCJUAIE-VKHMYHEASA-N -1 1 328.814 2.310 20 0 EEADMM Cc1nnc([C@H](C)Nc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001609460591 1351985356 /nfs/dbraw/zinc/98/53/56/1351985356.db2.gz WKOWWPSJCJUAIE-VKHMYHEASA-N -1 1 328.814 2.310 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)COc1ccccc1F ZINC001609467871 1351988432 /nfs/dbraw/zinc/98/84/32/1351988432.db2.gz WJEIVHVVVHUIIB-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)COc1ccccc1F ZINC001609467871 1351988433 /nfs/dbraw/zinc/98/84/33/1351988433.db2.gz WJEIVHVVVHUIIB-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001609471217 1351990136 /nfs/dbraw/zinc/99/01/36/1351990136.db2.gz APXJWCSBDFCGMR-SCVCMEIPSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609471217 1351990139 /nfs/dbraw/zinc/99/01/39/1351990139.db2.gz APXJWCSBDFCGMR-SCVCMEIPSA-N -1 1 332.408 2.037 20 0 EEADMM Clc1ccc(N2CCOC[C@H](C3CCC3)C2)nc1-c1nnn[n-]1 ZINC001609473211 1351990664 /nfs/dbraw/zinc/99/06/64/1351990664.db2.gz QSYDZUFOMLMCBY-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCOC[C@H](C3CCC3)C2)nc1-c1nn[n-]n1 ZINC001609473211 1351990665 /nfs/dbraw/zinc/99/06/65/1351990665.db2.gz QSYDZUFOMLMCBY-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc2ccc(F)cc21 ZINC001609476546 1351991553 /nfs/dbraw/zinc/99/15/53/1351991553.db2.gz JSECLRMOTHFWLY-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc2ccc(F)cc21 ZINC001609476546 1351991555 /nfs/dbraw/zinc/99/15/55/1351991555.db2.gz JSECLRMOTHFWLY-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c(F)c1 ZINC001609490225 1351996153 /nfs/dbraw/zinc/99/61/53/1351996153.db2.gz JISITLSYAHKDNW-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c(F)c1 ZINC001609490225 1351996156 /nfs/dbraw/zinc/99/61/56/1351996156.db2.gz JISITLSYAHKDNW-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM O=C(Cc1coc2ccccc12)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609536895 1352008734 /nfs/dbraw/zinc/00/87/34/1352008734.db2.gz AHFKVBYDKCEDCH-UHFFFAOYSA-N -1 1 335.323 2.500 20 0 EEADMM O=C(NCc1cc(F)ccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609552842 1352014508 /nfs/dbraw/zinc/01/45/08/1352014508.db2.gz PXSMUOZCCPQBLV-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1cc(F)ccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609552842 1352014510 /nfs/dbraw/zinc/01/45/10/1352014510.db2.gz PXSMUOZCCPQBLV-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCC(F)(F)CC1 ZINC001609573716 1352021175 /nfs/dbraw/zinc/02/11/75/1352021175.db2.gz MVCMSOGLKYCTSE-UHFFFAOYSA-N -1 1 340.286 2.011 20 0 EEADMM O=C(OCc1ncc(C2CC2)o1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609578190 1352024155 /nfs/dbraw/zinc/02/41/55/1352024155.db2.gz CYXOLALWJZXAAU-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM O=C(OCc1ncc(C2CC2)o1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609578190 1352024159 /nfs/dbraw/zinc/02/41/59/1352024159.db2.gz CYXOLALWJZXAAU-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1 ZINC001609645635 1352049053 /nfs/dbraw/zinc/04/90/53/1352049053.db2.gz YJHPZHVGJOAGCH-QMMMGPOBSA-N -1 1 346.305 2.270 20 0 EEADMM CC(C)[C@H](N)c1noc(-c2cc(C(=O)[O-])nn2-c2ccccc2)n1 ZINC001609685627 1352059511 /nfs/dbraw/zinc/05/95/11/1352059511.db2.gz KMQCXAKJLRVGCC-ZDUSSCGKSA-N -1 1 327.344 2.276 20 0 EEADMM C[C@@H](CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)S(C)(=O)=O ZINC001609749481 1352075888 /nfs/dbraw/zinc/07/58/88/1352075888.db2.gz ZIOLCKYEBXZCCJ-NSHDSACASA-N -1 1 337.397 2.168 20 0 EEADMM C[C@H](NC(=O)CN[C@H](C(=O)[O-])C1CC1)c1ccc2c(c1)CCCC2 ZINC001609764313 1352079118 /nfs/dbraw/zinc/07/91/18/1352079118.db2.gz KZSXXGOSCJMNTP-SGTLLEGYSA-N -1 1 330.428 2.195 20 0 EEADMM C[C@@H]1CN(C(=O)CCSc2ccccc2)CCN1CCC(=O)[O-] ZINC001609863936 1352105452 /nfs/dbraw/zinc/10/54/52/1352105452.db2.gz IDKSEFHPLWZJKI-CQSZACIVSA-N -1 1 336.457 2.176 20 0 EEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001609865650 1352106098 /nfs/dbraw/zinc/10/60/98/1352106098.db2.gz KGXGJQDPHDQXNL-UONOGXRCSA-N -1 1 341.411 2.448 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001339940864 1337100211 /nfs/dbraw/zinc/10/02/11/1337100211.db2.gz SIEXGWIMVKGIRY-QMMMGPOBSA-N -1 1 346.341 2.313 20 0 EEADMM CN(Cc1ccoc1)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001341772600 1337298219 /nfs/dbraw/zinc/29/82/19/1337298219.db2.gz LFRCOJOUIZXJPL-UHFFFAOYSA-N -1 1 326.360 2.085 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C[C@@H]1C ZINC001610004896 1352138780 /nfs/dbraw/zinc/13/87/80/1352138780.db2.gz RYXPJZORSHHTIP-RYUDHWBXSA-N -1 1 335.404 2.340 20 0 EEADMM CC[C@H](C)Oc1ccccc1C=CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347973104 1337528623 /nfs/dbraw/zinc/52/86/23/1337528623.db2.gz BSMXPDQIIQPWGS-QJXJPNQISA-N -1 1 341.415 2.406 20 0 EEADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC001610029479 1352144983 /nfs/dbraw/zinc/14/49/83/1352144983.db2.gz DTUFZUKCKDCRLP-INIZCTEOSA-N -1 1 345.399 2.255 20 0 EEADMM CCO[C@@H]1C[C@@](NCc2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC001610030391 1352145640 /nfs/dbraw/zinc/14/56/40/1352145640.db2.gz KDDWKVYWOORUFB-BDJLRTHQSA-N -1 1 341.429 2.283 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)C[C@H](C(=O)[O-])C1 ZINC001610137497 1352171499 /nfs/dbraw/zinc/17/14/99/1352171499.db2.gz WUAFLBHXVUSPSK-MRVPVSSYSA-N -1 1 349.189 2.221 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000847384823 1338009307 /nfs/dbraw/zinc/00/93/07/1338009307.db2.gz YYFYINBGSCXGQU-LBELIVKGSA-N -1 1 347.381 2.416 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@@H](C(C)(C)C)CC2)n1 ZINC001610195977 1352183155 /nfs/dbraw/zinc/18/31/55/1352183155.db2.gz UVRJRZKRNBJLIR-GFCCVEGCSA-N -1 1 337.420 2.474 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@H](c3cccc(C)c3)C2)n1 ZINC001610196490 1352183566 /nfs/dbraw/zinc/18/35/66/1352183566.db2.gz ZQNVSPLMRUJLIP-CQSZACIVSA-N -1 1 343.383 2.123 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCN(C)c1cccc(F)n1 ZINC001100270311 1338228980 /nfs/dbraw/zinc/22/89/80/1338228980.db2.gz PTVHYXLMENDAIR-UHFFFAOYSA-N -1 1 347.394 2.014 20 0 EEADMM COc1cc(C(=O)N2CCN(CC3(CC(=O)[O-])CC3)CC2)ccc1C ZINC001610280849 1352199269 /nfs/dbraw/zinc/19/92/69/1352199269.db2.gz YXRPKFHHTCFTSY-UHFFFAOYSA-N -1 1 346.427 2.016 20 0 EEADMM Cc1nc2ccc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cn2n1 ZINC000848024162 1338455166 /nfs/dbraw/zinc/45/51/66/1338455166.db2.gz RAAORCNHHNIREL-UHFFFAOYSA-N -1 1 326.360 2.217 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc2cc(C)ccc2o1 ZINC001100515440 1338464429 /nfs/dbraw/zinc/46/44/29/1338464429.db2.gz QRMPPPTZGDVNCT-UHFFFAOYSA-N -1 1 340.383 2.493 20 0 EEADMM COc1cc(OC)c(OC)cc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001610305417 1352203051 /nfs/dbraw/zinc/20/30/51/1352203051.db2.gz RODJTAQRWNGIJY-QGZVFWFLSA-N -1 1 347.367 2.334 20 0 EEADMM COc1ccc([C@H]2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001610329277 1352206552 /nfs/dbraw/zinc/20/65/52/1352206552.db2.gz SOVJKQYTVHOEKP-RDJZCZTQSA-N -1 1 348.443 2.100 20 0 EEADMM COc1nc(Cl)c(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1C ZINC001610369459 1352212228 /nfs/dbraw/zinc/21/22/28/1352212228.db2.gz URPNZZJSYYJNPI-KRWDZBQOSA-N -1 1 349.818 2.310 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@](C)(N)c2ccccc2)C(=O)[O-])cc1 ZINC001610491416 1352231912 /nfs/dbraw/zinc/23/19/12/1352231912.db2.gz BWGKOUQGMAAJKZ-QFBILLFUSA-N -1 1 326.396 2.154 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]C[C@@H](OC)C(F)(F)F)C1CCCCC1 ZINC000849374464 1339155326 /nfs/dbraw/zinc/15/53/26/1339155326.db2.gz BTHBNYRKFUWKSH-NWDGAFQWSA-N -1 1 347.399 2.078 20 0 EEADMM Cc1nc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c2ccccn12 ZINC001610552100 1352243376 /nfs/dbraw/zinc/24/33/76/1352243376.db2.gz LUJOYDMRFCWDNE-UHFFFAOYSA-N -1 1 335.323 2.470 20 0 EEADMM Cc1sc([C@@H]2CCCN2CCCN2CCOC2=O)nc1C(=O)[O-] ZINC001610592037 1352250740 /nfs/dbraw/zinc/25/07/40/1352250740.db2.gz NEVXACYIWFLSRN-NSHDSACASA-N -1 1 339.417 2.129 20 0 EEADMM NC(=O)CC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001610637214 1352256865 /nfs/dbraw/zinc/25/68/65/1352256865.db2.gz MWFDXMKHEBYDPW-AWEZNQCLSA-N -1 1 328.771 2.192 20 0 EEADMM O=C(CCCC1CC1)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001428122757 1339412587 /nfs/dbraw/zinc/41/25/87/1339412587.db2.gz RYHDPXQLFCYAMD-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1c(C)cccc1C ZINC001429556084 1339942702 /nfs/dbraw/zinc/94/27/02/1339942702.db2.gz DZSRJOWKPSTKLK-UHFFFAOYSA-N -1 1 341.411 2.296 20 0 EEADMM CC[C@@H](CNC(=O)c1sc(C)cc1C)NC(=O)c1ncccc1[O-] ZINC001430597814 1340265347 /nfs/dbraw/zinc/26/53/47/1340265347.db2.gz JMUXBSOKGJJQFH-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM Cc1cccc2oc(CCNC(=O)c3cnc(C4CC4)[n-]c3=O)nc21 ZINC001617494389 1352341945 /nfs/dbraw/zinc/34/19/45/1352341945.db2.gz JIJPAMYSWPMJQN-UHFFFAOYSA-N -1 1 338.367 2.482 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C)c1F ZINC001432657241 1341354733 /nfs/dbraw/zinc/35/47/33/1341354733.db2.gz WQYRHKUCOZMJEM-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001432961802 1341446757 /nfs/dbraw/zinc/44/67/57/1341446757.db2.gz IFCABOMPJMQPQK-CHWSQXEVSA-N -1 1 333.432 2.096 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001433215009 1341539792 /nfs/dbraw/zinc/53/97/92/1341539792.db2.gz ILCCNWMSTOKSJU-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nnc(CC2CCCCC2)s1 ZINC001434427388 1341842157 /nfs/dbraw/zinc/84/21/57/1341842157.db2.gz CTINXYKHRRXRDK-UHFFFAOYSA-N -1 1 335.437 2.135 20 0 EEADMM CCC1(CC)[C@@H](NS(=O)(=O)c2cc(OC)ccc2[O-])C[C@@H]1OC ZINC001434559533 1341872978 /nfs/dbraw/zinc/87/29/78/1341872978.db2.gz JQAMLNRTLRTSIH-GJZGRUSLSA-N -1 1 343.445 2.273 20 0 EEADMM CNC(=O)Cn1cc([N-]c2nc(-c3ccccc3C)ns2)cn1 ZINC001559076193 1342497024 /nfs/dbraw/zinc/49/70/24/1342497024.db2.gz OCNWVEVSAFHCQF-UHFFFAOYSA-N -1 1 328.401 2.200 20 0 EEADMM CCC1(CC)CCCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)C1 ZINC001577109916 1344091149 /nfs/dbraw/zinc/09/11/49/1344091149.db2.gz GBVOEJDGERTVMU-UHFFFAOYSA-N -1 1 344.419 2.318 20 0 EEADMM CCOC(=O)c1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001578253258 1344255249 /nfs/dbraw/zinc/25/52/49/1344255249.db2.gz NUUUQIUDCIYJJI-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM CN(C(=O)c1cc(F)cc2ccncc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001578912927 1344318082 /nfs/dbraw/zinc/31/80/82/1344318082.db2.gz NFQXYESPGSAKAR-UHFFFAOYSA-N -1 1 349.329 2.226 20 0 EEADMM COCc1csc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001579839216 1344420956 /nfs/dbraw/zinc/42/09/56/1344420956.db2.gz RMUOJEIQHXUPQC-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COc1cccc(COC(=O)c2ccsc2-c2nnn[n-]2)c1OC ZINC001580070629 1344464219 /nfs/dbraw/zinc/46/42/19/1344464219.db2.gz VKCLBKAALSBBMU-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(COC(=O)c2ccsc2-c2nn[n-]n2)c1OC ZINC001580070629 1344464223 /nfs/dbraw/zinc/46/42/23/1344464223.db2.gz VKCLBKAALSBBMU-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580083993 1344469301 /nfs/dbraw/zinc/46/93/01/1344469301.db2.gz YZFUOLVDSGDFJB-NWDGAFQWSA-N -1 1 336.355 2.013 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580083993 1344469304 /nfs/dbraw/zinc/46/93/04/1344469304.db2.gz YZFUOLVDSGDFJB-NWDGAFQWSA-N -1 1 336.355 2.013 20 0 EEADMM Cc1ccc(Oc2ccc(Nc3ncncc3-c3nn[n-]n3)cc2)nn1 ZINC001581210791 1344597911 /nfs/dbraw/zinc/59/79/11/1344597911.db2.gz DHJWZCRHXRPMMV-UHFFFAOYSA-N -1 1 347.342 2.291 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1cccc2ccccc21 ZINC001581909236 1344686701 /nfs/dbraw/zinc/68/67/01/1344686701.db2.gz VFVDQWQKDJFEDP-UHFFFAOYSA-N -1 1 333.355 2.072 20 0 EEADMM O=C(Nc1cc2n(n1)CCCC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582635852 1344772745 /nfs/dbraw/zinc/77/27/45/1344772745.db2.gz CLOMCFFNGZINFE-UHFFFAOYSA-N -1 1 348.370 2.133 20 0 EEADMM O=C1C[C@@H]2CCCC[C@]2(CSc2cccnc2-c2nnn[n-]2)O1 ZINC001582776968 1344790761 /nfs/dbraw/zinc/79/07/61/1344790761.db2.gz YTYSRSNGVIVHSN-ZUZCIYMTSA-N -1 1 331.401 2.230 20 0 EEADMM O=C1C[C@@H]2CCCC[C@]2(CSc2cccnc2-c2nn[n-]n2)O1 ZINC001582776968 1344790766 /nfs/dbraw/zinc/79/07/66/1344790766.db2.gz YTYSRSNGVIVHSN-ZUZCIYMTSA-N -1 1 331.401 2.230 20 0 EEADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001589102338 1348959458 /nfs/dbraw/zinc/95/94/58/1348959458.db2.gz IWKCCIOLNDZRMY-ZDUSSCGKSA-N -1 1 347.394 2.283 20 0 EEADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001589102338 1348959459 /nfs/dbraw/zinc/95/94/59/1348959459.db2.gz IWKCCIOLNDZRMY-ZDUSSCGKSA-N -1 1 347.394 2.283 20 0 EEADMM CC(C)(C)OC(=O)NCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001589183257 1348966796 /nfs/dbraw/zinc/96/67/96/1348966796.db2.gz OSXVVBUCRNPLBK-UHFFFAOYSA-N -1 1 342.450 2.081 20 0 EEADMM CC(C)(C)OC(=O)NCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001589183257 1348966799 /nfs/dbraw/zinc/96/67/99/1348966799.db2.gz OSXVVBUCRNPLBK-UHFFFAOYSA-N -1 1 342.450 2.081 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001589201525 1348969946 /nfs/dbraw/zinc/96/99/46/1348969946.db2.gz LHOVXMQNEVOECU-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001589201525 1348969950 /nfs/dbraw/zinc/96/99/50/1348969950.db2.gz LHOVXMQNEVOECU-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C2CC3(CCC3)C2)n1 ZINC001589249298 1348974620 /nfs/dbraw/zinc/97/46/20/1348974620.db2.gz NZRUDWDAFVVUAK-UHFFFAOYSA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C2CC3(CCC3)C2)n1 ZINC001589249298 1348974623 /nfs/dbraw/zinc/97/46/23/1348974623.db2.gz NZRUDWDAFVVUAK-UHFFFAOYSA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC[C@H](F)C2)n1 ZINC001589248974 1348975181 /nfs/dbraw/zinc/97/51/81/1348975181.db2.gz FMHHAAKRULESRL-UWVGGRQHSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[C@H](F)C2)n1 ZINC001589248974 1348975184 /nfs/dbraw/zinc/97/51/84/1348975184.db2.gz FMHHAAKRULESRL-UWVGGRQHSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C1(O)CCCC1 ZINC001589286301 1348978632 /nfs/dbraw/zinc/97/86/32/1348978632.db2.gz FPFBOINKMWFKAN-UHFFFAOYSA-N -1 1 347.394 2.067 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C1(O)CCCC1 ZINC001589286301 1348978634 /nfs/dbraw/zinc/97/86/34/1348978634.db2.gz FPFBOINKMWFKAN-UHFFFAOYSA-N -1 1 347.394 2.067 20 0 EEADMM CC(C)(NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001589317819 1348983011 /nfs/dbraw/zinc/98/30/11/1348983011.db2.gz YTMHBMAJDOSOEB-UHFFFAOYSA-N -1 1 327.801 2.287 20 0 EEADMM CC(C)C(=O)Nc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001589412276 1348988650 /nfs/dbraw/zinc/98/86/50/1348988650.db2.gz AQKPEGDQCSFTFU-UHFFFAOYSA-N -1 1 344.400 2.497 20 0 EEADMM CC(C)C(=O)Nc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001589412276 1348988653 /nfs/dbraw/zinc/98/86/53/1348988653.db2.gz AQKPEGDQCSFTFU-UHFFFAOYSA-N -1 1 344.400 2.497 20 0 EEADMM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589441813 1348991493 /nfs/dbraw/zinc/99/14/93/1348991493.db2.gz KRELDKOLIGYRDY-ZDUSSCGKSA-N -1 1 339.403 2.433 20 0 EEADMM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589441813 1348991496 /nfs/dbraw/zinc/99/14/96/1348991496.db2.gz KRELDKOLIGYRDY-ZDUSSCGKSA-N -1 1 339.403 2.433 20 0 EEADMM CC(C)C[C@H](C)C[C@@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589549757 1349002670 /nfs/dbraw/zinc/00/26/70/1349002670.db2.gz GPUSXBQZWGQSQW-TUAOUCFPSA-N -1 1 335.412 2.023 20 0 EEADMM CC(C)Cc1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC001589665016 1349018241 /nfs/dbraw/zinc/01/82/41/1349018241.db2.gz HPHQNRKADAOSRG-UHFFFAOYSA-N -1 1 344.400 2.480 20 0 EEADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccccc1Cl ZINC001589876238 1349054298 /nfs/dbraw/zinc/05/42/98/1349054298.db2.gz RRSJGEYVRCSEMT-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccccc1Cl ZINC001589876238 1349054301 /nfs/dbraw/zinc/05/43/01/1349054301.db2.gz RRSJGEYVRCSEMT-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C ZINC001590013292 1349107554 /nfs/dbraw/zinc/10/75/54/1349107554.db2.gz BVWVVTCIRXQSPK-VIFPVBQESA-N -1 1 338.327 2.264 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C ZINC001590013292 1349107565 /nfs/dbraw/zinc/10/75/65/1349107565.db2.gz BVWVVTCIRXQSPK-VIFPVBQESA-N -1 1 338.327 2.264 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC001590082992 1349143032 /nfs/dbraw/zinc/14/30/32/1349143032.db2.gz NTRAPMWSAGXNRZ-VIFPVBQESA-N -1 1 335.408 2.410 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC001590082992 1349143038 /nfs/dbraw/zinc/14/30/38/1349143038.db2.gz NTRAPMWSAGXNRZ-VIFPVBQESA-N -1 1 335.408 2.410 20 0 EEADMM CC1(C)CCC[C@](O)(C(=O)OCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590097282 1349154572 /nfs/dbraw/zinc/15/45/72/1349154572.db2.gz KKTKFOSEUBJYEM-OAHLLOKOSA-N -1 1 336.417 2.303 20 0 EEADMM C[C@]12CCN(C(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@H]1C2(F)F ZINC001590154672 1349177928 /nfs/dbraw/zinc/17/79/28/1349177928.db2.gz DNKBWWFCDPZYPI-YGRLFVJLSA-N -1 1 337.305 2.123 20 0 EEADMM C[C@]12CCN(C(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@H]1C2(F)F ZINC001590154672 1349177931 /nfs/dbraw/zinc/17/79/31/1349177931.db2.gz DNKBWWFCDPZYPI-YGRLFVJLSA-N -1 1 337.305 2.123 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590233819 1349215560 /nfs/dbraw/zinc/21/55/60/1349215560.db2.gz MPEKDMKCWBBQSU-RITPCOANSA-N -1 1 327.801 2.287 20 0 EEADMM CC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)(C(=O)[O-])CC1 ZINC001590236133 1349216496 /nfs/dbraw/zinc/21/64/96/1349216496.db2.gz GFMWNUXFBNIUPI-UHFFFAOYSA-N -1 1 333.367 2.129 20 0 EEADMM CC[C@H](C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1c(C)noc1C ZINC001590371905 1349290013 /nfs/dbraw/zinc/29/00/13/1349290013.db2.gz LMSVDFRRMBNSER-VIFPVBQESA-N -1 1 348.388 2.165 20 0 EEADMM CC[C@H](C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1c(C)noc1C ZINC001590371905 1349290020 /nfs/dbraw/zinc/29/00/20/1349290020.db2.gz LMSVDFRRMBNSER-VIFPVBQESA-N -1 1 348.388 2.165 20 0 EEADMM CCC(CC)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)OC ZINC001590428816 1349320652 /nfs/dbraw/zinc/32/06/52/1349320652.db2.gz UOGVDIUVKXGYCF-UHFFFAOYSA-N -1 1 344.828 2.368 20 0 EEADMM CC[C@H](COC(=O)Cc1ccc(-c2nnn[n-]2)nc1)CC(F)F ZINC001590448687 1349329804 /nfs/dbraw/zinc/32/98/04/1349329804.db2.gz NEUCMGCHCLHNBK-VIFPVBQESA-N -1 1 325.319 2.029 20 0 EEADMM CC[C@H](COC(=O)Cc1ccc(-c2nn[n-]n2)nc1)CC(F)F ZINC001590448687 1349329811 /nfs/dbraw/zinc/32/98/11/1349329811.db2.gz NEUCMGCHCLHNBK-VIFPVBQESA-N -1 1 325.319 2.029 20 0 EEADMM CC[C@H](Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)OC ZINC001590451060 1349332475 /nfs/dbraw/zinc/33/24/75/1349332475.db2.gz BKHTWKAJCKNMGP-SNVBAGLBSA-N -1 1 333.779 2.260 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1F ZINC001590474368 1349348141 /nfs/dbraw/zinc/34/81/41/1349348141.db2.gz FXSVPFRXEGBVSD-TZMCWYRMSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1F ZINC001590474368 1349348149 /nfs/dbraw/zinc/34/81/49/1349348149.db2.gz FXSVPFRXEGBVSD-TZMCWYRMSA-N -1 1 343.366 2.028 20 0 EEADMM CCc1[n-]n(-c2cc(-c3nn[nH]n3)cc(Cl)n2)c(=O)c1C(C)C ZINC001590499463 1349356675 /nfs/dbraw/zinc/35/66/75/1349356675.db2.gz KTHVZZNVABSIKY-LBPRGKRZSA-N -1 1 333.783 2.300 20 0 EEADMM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590504114 1349356853 /nfs/dbraw/zinc/35/68/53/1349356853.db2.gz BFUNVCGFUYIJLE-GXSJLCMTSA-N -1 1 331.380 2.065 20 0 EEADMM CCOC(=O)Cc1cccc(N(C)Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001590765989 1349397784 /nfs/dbraw/zinc/39/77/84/1349397784.db2.gz BYVWGXPECJCMNN-UHFFFAOYSA-N -1 1 341.371 2.202 20 0 EEADMM CCOC(=O)Cc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001590765989 1349397789 /nfs/dbraw/zinc/39/77/89/1349397789.db2.gz BYVWGXPECJCMNN-UHFFFAOYSA-N -1 1 341.371 2.202 20 0 EEADMM CC[C@H](NC(=O)Nc1snc(C)c1-c1nnn[n-]1)C(F)(F)F ZINC001590867783 1349407265 /nfs/dbraw/zinc/40/72/65/1349407265.db2.gz KYHPTRNHJADJKG-YFKPBYRVSA-N -1 1 335.315 2.094 20 0 EEADMM CC[C@H](NC(=O)Nc1snc(C)c1-c1nn[n-]n1)C(F)(F)F ZINC001590867783 1349407267 /nfs/dbraw/zinc/40/72/67/1349407267.db2.gz KYHPTRNHJADJKG-YFKPBYRVSA-N -1 1 335.315 2.094 20 0 EEADMM CCc1nc(Sc2nc(C(C)(C)C)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001590924006 1349414325 /nfs/dbraw/zinc/41/43/25/1349414325.db2.gz PLUVWOKVLWOCSA-UHFFFAOYSA-N -1 1 330.421 2.391 20 0 EEADMM CCc1nc(Sc2nc(C(C)(C)C)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001590924006 1349414331 /nfs/dbraw/zinc/41/43/31/1349414331.db2.gz PLUVWOKVLWOCSA-UHFFFAOYSA-N -1 1 330.421 2.391 20 0 EEADMM CCn1nc(C)c(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001590964473 1349425654 /nfs/dbraw/zinc/42/56/54/1349425654.db2.gz BMTQENRYIOGVJR-UHFFFAOYSA-N -1 1 345.432 2.034 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1nsc2ccccc21 ZINC001590992172 1349428255 /nfs/dbraw/zinc/42/82/55/1349428255.db2.gz GZKOZPAUWVUITP-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM CO[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC001591336179 1349463654 /nfs/dbraw/zinc/46/36/54/1349463654.db2.gz VIQVAKDISVXVGA-CQSZACIVSA-N -1 1 331.376 2.014 20 0 EEADMM CO[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001591336179 1349463662 /nfs/dbraw/zinc/46/36/62/1349463662.db2.gz VIQVAKDISVXVGA-CQSZACIVSA-N -1 1 331.376 2.014 20 0 EEADMM COCC[C@@H](C)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591399212 1349482359 /nfs/dbraw/zinc/48/23/59/1349482359.db2.gz PBFLTROWEYVNIN-MRVPVSSYSA-N -1 1 330.314 2.365 20 0 EEADMM COCC[C@@H](C)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591399212 1349482365 /nfs/dbraw/zinc/48/23/65/1349482365.db2.gz PBFLTROWEYVNIN-MRVPVSSYSA-N -1 1 330.314 2.365 20 0 EEADMM COc1cc(F)c(F)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591539829 1349501729 /nfs/dbraw/zinc/50/17/29/1349501729.db2.gz AKGKUTXDGUYWKM-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591653099 1349526563 /nfs/dbraw/zinc/52/65/63/1349526563.db2.gz KGMCKPAYIKGHJE-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591653099 1349526570 /nfs/dbraw/zinc/52/65/70/1349526570.db2.gz KGMCKPAYIKGHJE-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM CSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001591716661 1349534328 /nfs/dbraw/zinc/53/43/28/1349534328.db2.gz YGCXBBOFMSDJQU-UHFFFAOYSA-N -1 1 347.791 2.284 20 0 EEADMM Cc1ccc(-c2nc(Cn3cc(-c4nn[n-]n4)ccc3=O)cs2)o1 ZINC001592073727 1349588714 /nfs/dbraw/zinc/58/87/14/1349588714.db2.gz KBWGZLIOENGUTL-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCCC(C)(F)F ZINC001592203014 1349606607 /nfs/dbraw/zinc/60/66/07/1349606607.db2.gz SVOYNLDXVUPHFN-UHFFFAOYSA-N -1 1 334.330 2.320 20 0 EEADMM Cc1nc(N[C@H]2c3ccccc3CC[C@H]2F)cc(-c2nnn[n-]2)n1 ZINC001592383732 1349625911 /nfs/dbraw/zinc/62/59/11/1349625911.db2.gz IEVRWYHKSARSEO-DOMZBBRYSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nc(N[C@H]2c3ccccc3CC[C@H]2F)cc(-c2nn[n-]n2)n1 ZINC001592383732 1349625913 /nfs/dbraw/zinc/62/59/13/1349625913.db2.gz IEVRWYHKSARSEO-DOMZBBRYSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1ncc(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001592410948 1349628299 /nfs/dbraw/zinc/62/82/99/1349628299.db2.gz AZHUOXOMIRDWTF-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@H](F)CC2CCCCC2)c1-c1nnn[n-]1 ZINC001592442583 1349632908 /nfs/dbraw/zinc/63/29/08/1349632908.db2.gz LOQHHNJBTUEOGW-NSHDSACASA-N -1 1 335.387 2.156 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@H](F)CC2CCCCC2)c1-c1nn[n-]n1 ZINC001592442583 1349632909 /nfs/dbraw/zinc/63/29/09/1349632909.db2.gz LOQHHNJBTUEOGW-NSHDSACASA-N -1 1 335.387 2.156 20 0 EEADMM Cc1nsc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592479900 1349635785 /nfs/dbraw/zinc/63/57/85/1349635785.db2.gz RRGUQHJLPUWGCS-SCZZXKLOSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592479900 1349635787 /nfs/dbraw/zinc/63/57/87/1349635787.db2.gz RRGUQHJLPUWGCS-SCZZXKLOSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC[C@H](O)[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592488029 1349636894 /nfs/dbraw/zinc/63/68/94/1349636894.db2.gz OPHKAZDXHFQIJW-CABZTGNLSA-N -1 1 330.417 2.208 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC001592496905 1349637223 /nfs/dbraw/zinc/63/72/23/1349637223.db2.gz OKPBYHOESCSUKD-UHFFFAOYSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC001592496905 1349637224 /nfs/dbraw/zinc/63/72/24/1349637224.db2.gz OKPBYHOESCSUKD-UHFFFAOYSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nccn1-c1ccccc1 ZINC001592502669 1349640247 /nfs/dbraw/zinc/64/02/47/1349640247.db2.gz VELFAIVKYWKQFL-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nccn1-c1ccccc1 ZINC001592502669 1349640249 /nfs/dbraw/zinc/64/02/49/1349640249.db2.gz VELFAIVKYWKQFL-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Clc1ccccc1[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001592536034 1349651213 /nfs/dbraw/zinc/65/12/13/1349651213.db2.gz JXXIOEKQMZADPK-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccccc1[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001592536034 1349651214 /nfs/dbraw/zinc/65/12/14/1349651214.db2.gz JXXIOEKQMZADPK-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1sc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001592543050 1349655098 /nfs/dbraw/zinc/65/50/98/1349655098.db2.gz LLBGCUHSCWXREN-PRJMDXOYSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2nc1C1CC1 ZINC001592551327 1349656820 /nfs/dbraw/zinc/65/68/20/1349656820.db2.gz KLGRBOAXXHXMHH-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2nc1C1CC1 ZINC001592551327 1349656821 /nfs/dbraw/zinc/65/68/21/1349656821.db2.gz KLGRBOAXXHXMHH-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Fc1ccc([C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)c(F)c1 ZINC001592648588 1349694589 /nfs/dbraw/zinc/69/45/89/1349694589.db2.gz RZDSJCAJKUJUND-OAHLLOKOSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)c(F)c1 ZINC001592648588 1349694592 /nfs/dbraw/zinc/69/45/92/1349694592.db2.gz RZDSJCAJKUJUND-OAHLLOKOSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccccc1C=C1CCN(c2cc(-c3nnn[n-]3)ncn2)CC1 ZINC001592658607 1349702302 /nfs/dbraw/zinc/70/23/02/1349702302.db2.gz BCSUINGKFVLQEI-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1ccccc1C=C1CCN(c2cc(-c3nn[n-]n3)ncn2)CC1 ZINC001592658607 1349702305 /nfs/dbraw/zinc/70/23/05/1349702305.db2.gz BCSUINGKFVLQEI-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592658125 1349703104 /nfs/dbraw/zinc/70/31/04/1349703104.db2.gz KGRJEKUGHCVEEE-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592658125 1349703105 /nfs/dbraw/zinc/70/31/05/1349703105.db2.gz KGRJEKUGHCVEEE-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cccc2c1OCC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001592660506 1349703221 /nfs/dbraw/zinc/70/32/21/1349703221.db2.gz CAJFDUQLKOJPMU-SNVBAGLBSA-N -1 1 332.364 2.076 20 0 EEADMM Fc1cccc2c1OCC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001592660506 1349703225 /nfs/dbraw/zinc/70/32/25/1349703225.db2.gz CAJFDUQLKOJPMU-SNVBAGLBSA-N -1 1 332.364 2.076 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC1(C2CCC2)CCC1 ZINC001593137463 1349739507 /nfs/dbraw/zinc/73/95/07/1349739507.db2.gz DLOFUZFILUBKBN-UHFFFAOYSA-N -1 1 332.433 2.450 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593137487 1349739525 /nfs/dbraw/zinc/73/95/25/1349739525.db2.gz FZGBVROUROFELJ-JSGCOSHPSA-N -1 1 344.444 2.258 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593183041 1349744576 /nfs/dbraw/zinc/74/45/76/1349744576.db2.gz DZNVWUWVGUDTMI-LBPRGKRZSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593183041 1349744581 /nfs/dbraw/zinc/74/45/81/1349744581.db2.gz DZNVWUWVGUDTMI-LBPRGKRZSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593205652 1349745605 /nfs/dbraw/zinc/74/56/05/1349745605.db2.gz ANHTYXFPERTXGC-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593205652 1349745609 /nfs/dbraw/zinc/74/56/09/1349745609.db2.gz ANHTYXFPERTXGC-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ccccn1 ZINC001593244340 1349748314 /nfs/dbraw/zinc/74/83/14/1349748314.db2.gz OMHIVLNWTNNBCP-CYBMUJFWSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ccccn1 ZINC001593244340 1349748318 /nfs/dbraw/zinc/74/83/18/1349748318.db2.gz OMHIVLNWTNNBCP-CYBMUJFWSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC(C2CCCCC2)C1 ZINC001593243451 1349748327 /nfs/dbraw/zinc/74/83/27/1349748327.db2.gz MDQFRNIWPKZAPN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC(C2CCCCC2)C1 ZINC001593243451 1349748336 /nfs/dbraw/zinc/74/83/36/1349748336.db2.gz MDQFRNIWPKZAPN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1n[nH]c2ccc(Cl)cc21 ZINC001593245511 1349749382 /nfs/dbraw/zinc/74/93/82/1349749382.db2.gz QPVIFHIETZNFPW-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1n[nH]c2ccc(Cl)cc21 ZINC001593245511 1349749387 /nfs/dbraw/zinc/74/93/87/1349749387.db2.gz QPVIFHIETZNFPW-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593286777 1349764044 /nfs/dbraw/zinc/76/40/44/1349764044.db2.gz NNTPCGFXKZQFEN-UHFFFAOYSA-N -1 1 337.208 2.006 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593286777 1349764049 /nfs/dbraw/zinc/76/40/49/1349764049.db2.gz NNTPCGFXKZQFEN-UHFFFAOYSA-N -1 1 337.208 2.006 20 0 EEADMM O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(-c2nnn[n-]2)n1 ZINC001593308041 1349776220 /nfs/dbraw/zinc/77/62/20/1349776220.db2.gz YUZKRKGUSABNAK-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ncc(-c2ccccc2)o1)c1cccc(-c2nn[n-]n2)n1 ZINC001593308041 1349776222 /nfs/dbraw/zinc/77/62/22/1349776222.db2.gz YUZKRKGUSABNAK-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001593314268 1349779155 /nfs/dbraw/zinc/77/91/55/1349779155.db2.gz JOHRCLUNQUGWSX-UHFFFAOYSA-N -1 1 341.758 2.382 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2cc(F)c(F)cc2C1 ZINC001593362747 1349790594 /nfs/dbraw/zinc/79/05/94/1349790594.db2.gz XQGMUCVNMVRSRP-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2cc(F)c(F)cc2C1 ZINC001593362747 1349790598 /nfs/dbraw/zinc/79/05/98/1349790598.db2.gz XQGMUCVNMVRSRP-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1ccccc1F)C1CC1 ZINC001593367688 1349792237 /nfs/dbraw/zinc/79/22/37/1349792237.db2.gz NSMIJFVEDIFWDK-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1ccccc1F)C1CC1 ZINC001593367688 1349792242 /nfs/dbraw/zinc/79/22/42/1349792242.db2.gz NSMIJFVEDIFWDK-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ncc(Cl)s1 ZINC001593494853 1349819289 /nfs/dbraw/zinc/81/92/89/1349819289.db2.gz QEWDPAKPRBMOCR-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001593576510 1349859770 /nfs/dbraw/zinc/85/97/70/1349859770.db2.gz HCCDFGGRXNCXRY-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001593576510 1349859775 /nfs/dbraw/zinc/85/97/75/1349859775.db2.gz HCCDFGGRXNCXRY-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593579884 1349860381 /nfs/dbraw/zinc/86/03/81/1349860381.db2.gz NUCKLBJNLVXANP-NSHDSACASA-N -1 1 345.366 2.398 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593579884 1349860384 /nfs/dbraw/zinc/86/03/84/1349860384.db2.gz NUCKLBJNLVXANP-NSHDSACASA-N -1 1 345.366 2.398 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)Nn1cnc2sc(C)c(C)c2c1=O ZINC001600132203 1349976641 /nfs/dbraw/zinc/97/66/41/1349976641.db2.gz NPJDPBABULWDAX-UHFFFAOYSA-N -1 1 347.352 2.058 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001600175836 1349986100 /nfs/dbraw/zinc/98/61/00/1349986100.db2.gz LLVSBBBUZJJJOJ-INIZCTEOSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)cc(C(=O)[O-])c1 ZINC001600269510 1350007081 /nfs/dbraw/zinc/00/70/81/1350007081.db2.gz PNRRHFRKFYBFBV-LSDHHAIUSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@](O)(C2CC2)C1 ZINC001600352093 1350026791 /nfs/dbraw/zinc/02/67/91/1350026791.db2.gz IRWZHOSJGZKPIX-BFUOFWGJSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(O)c1 ZINC001600463514 1350057679 /nfs/dbraw/zinc/05/76/79/1350057679.db2.gz KTVVCMOXOSMORN-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600532971 1350075427 /nfs/dbraw/zinc/07/54/27/1350075427.db2.gz DECKRAMTFLZKJN-ZDUSSCGKSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1cccc2c(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)coc21 ZINC001600551920 1350080572 /nfs/dbraw/zinc/08/05/72/1350080572.db2.gz HCAJMFWIPRKATN-CYBMUJFWSA-N -1 1 330.384 2.362 20 0 EEADMM Cc1ccccc1[C@@H](N)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001600571108 1350085944 /nfs/dbraw/zinc/08/59/44/1350085944.db2.gz HIDHHHWGWXPKBT-QGZVFWFLSA-N -1 1 328.368 2.487 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600586031 1350090897 /nfs/dbraw/zinc/09/08/97/1350090897.db2.gz WEZCLZGMFDKVCQ-INIZCTEOSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H](c1ccccc1)[C@H](C)O ZINC001600785559 1350137073 /nfs/dbraw/zinc/13/70/73/1350137073.db2.gz FDRSBIFQNMBJQF-KBXCAEBGSA-N -1 1 331.416 2.186 20 0 EEADMM Cc1noc(C)c1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001600809068 1350141696 /nfs/dbraw/zinc/14/16/96/1350141696.db2.gz HVZUKSDFDXDZLZ-SNVBAGLBSA-N -1 1 331.372 2.497 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H](O)COCC(C)C)nc1C(=O)[O-] ZINC001600881485 1350159286 /nfs/dbraw/zinc/15/92/86/1350159286.db2.gz FCCDIUGFUDNODX-CHWSQXEVSA-N -1 1 342.461 2.320 20 0 EEADMM Cc1sc(NC(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c(C)c1C ZINC001600887389 1350161063 /nfs/dbraw/zinc/16/10/63/1350161063.db2.gz LLEGPAVCQSBRIJ-STQMWFEESA-N -1 1 340.445 2.224 20 0 EEADMM Cn1c(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)nc2ccccc2c1=O ZINC001600913821 1350166634 /nfs/dbraw/zinc/16/66/34/1350166634.db2.gz QUKXEGDDQOVNFS-DVOMOZLQSA-N -1 1 341.411 2.009 20 0 EEADMM N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001601175941 1350225820 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O=C([O-])/C=C\c1ccc(CNCCn2cc(Br)cn2)o1 ZINC001601879397 1350388862 /nfs/dbraw/zinc/38/88/62/1350388862.db2.gz RELHLXRVWXOVKR-ARJAWSKDSA-N -1 1 340.177 2.126 20 0 EEADMM O=C([O-])C[C@]1(NCc2cn3cc(Cl)cc(Cl)c3n2)CCOC1 ZINC001601935977 1350401007 /nfs/dbraw/zinc/40/10/07/1350401007.db2.gz KPGVGWCMEDOCIG-CQSZACIVSA-N -1 1 344.198 2.365 20 0 EEADMM O=C([O-])COc1cccc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC001602091523 1350435172 /nfs/dbraw/zinc/43/51/72/1350435172.db2.gz VRYBYZGGVWZBAO-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC001602408441 1350513077 /nfs/dbraw/zinc/51/30/77/1350513077.db2.gz WNMPXLRTHKEPMQ-CHWSQXEVSA-N -1 1 328.368 2.017 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)nc1 ZINC001602526501 1350539171 /nfs/dbraw/zinc/53/91/71/1350539171.db2.gz OFNDPCUHIZGOPL-ZDUSSCGKSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nc1 ZINC001602526501 1350539176 /nfs/dbraw/zinc/53/91/76/1350539176.db2.gz OFNDPCUHIZGOPL-ZDUSSCGKSA-N -1 1 336.355 2.301 20 0 EEADMM CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC001603021213 1350622832 /nfs/dbraw/zinc/62/28/32/1350622832.db2.gz XOHPFMHLRVPYPX-QGZVFWFLSA-N -1 1 349.431 2.376 20 0 EEADMM CC(C)(CC(=O)COC(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC001603136033 1350647975 /nfs/dbraw/zinc/64/79/75/1350647975.db2.gz VUQDFMMIXYIUMK-UHFFFAOYSA-N -1 1 334.401 2.480 20 0 EEADMM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC001603213709 1350663510 /nfs/dbraw/zinc/66/35/10/1350663510.db2.gz RRSBEIOJYCJWTO-VIFPVBQESA-N -1 1 329.360 2.192 20 0 EEADMM CC(C)N(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603324344 1350687562 /nfs/dbraw/zinc/68/75/62/1350687562.db2.gz GYFASOGPRKJIGI-UHFFFAOYSA-N -1 1 336.399 2.355 20 0 EEADMM CC(C)N(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603324344 1350687569 /nfs/dbraw/zinc/68/75/69/1350687569.db2.gz GYFASOGPRKJIGI-UHFFFAOYSA-N -1 1 336.399 2.355 20 0 EEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603471872 1350710328 /nfs/dbraw/zinc/71/03/28/1350710328.db2.gz JYHDXVKFVAWBIZ-NSHDSACASA-N -1 1 347.423 2.367 20 0 EEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603471872 1350710331 /nfs/dbraw/zinc/71/03/31/1350710331.db2.gz JYHDXVKFVAWBIZ-NSHDSACASA-N -1 1 347.423 2.367 20 0 EEADMM CC1(C2CC2)CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603795629 1350769072 /nfs/dbraw/zinc/76/90/72/1350769072.db2.gz NCWCCCQWKXQRTG-UHFFFAOYSA-N -1 1 347.448 2.045 20 0 EEADMM CC1(C2CC2)CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603795629 1350769076 /nfs/dbraw/zinc/76/90/76/1350769076.db2.gz NCWCCCQWKXQRTG-UHFFFAOYSA-N -1 1 347.448 2.045 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCS1 ZINC001603855185 1350783655 /nfs/dbraw/zinc/78/36/55/1350783655.db2.gz VPVATSLYSWWTOO-IONNQARKSA-N -1 1 339.371 2.159 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCS1 ZINC001603855185 1350783659 /nfs/dbraw/zinc/78/36/59/1350783659.db2.gz VPVATSLYSWWTOO-IONNQARKSA-N -1 1 339.371 2.159 20 0 EEADMM CC(C)OCc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001603925845 1350803062 /nfs/dbraw/zinc/80/30/62/1350803062.db2.gz OGEOMQMDGZYRCZ-HNNXBMFYSA-N -1 1 348.443 2.233 20 0 EEADMM CC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(C)=O ZINC001604067003 1350846244 /nfs/dbraw/zinc/84/62/44/1350846244.db2.gz QRXTZXCWQTXSAN-LLVKDONJSA-N -1 1 343.343 2.083 20 0 EEADMM CC[C@@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(C)=O ZINC001604067003 1350846248 /nfs/dbraw/zinc/84/62/48/1350846248.db2.gz QRXTZXCWQTXSAN-LLVKDONJSA-N -1 1 343.343 2.083 20 0 EEADMM CCCC[C@H](COC)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001604167051 1350881373 /nfs/dbraw/zinc/88/13/73/1350881373.db2.gz PYLFLJHZUXAZTO-LLVKDONJSA-N -1 1 342.403 2.283 20 0 EEADMM C[C@@](Cn1cccn1)(NCc1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC001604244941 1350901253 /nfs/dbraw/zinc/90/12/53/1350901253.db2.gz RFMBYJYYKBNLFO-INIZCTEOSA-N -1 1 349.341 2.261 20 0 EEADMM CCO[C@@H](C)c1nc(CN(C)c2cccnc2-c2nnn[n-]2)cs1 ZINC001604400688 1350930286 /nfs/dbraw/zinc/93/02/86/1350930286.db2.gz JAZLHNIEKDGVNQ-JTQLQIEISA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@@H](C)c1nc(CN(C)c2cccnc2-c2nn[n-]n2)cs1 ZINC001604400688 1350930288 /nfs/dbraw/zinc/93/02/88/1350930288.db2.gz JAZLHNIEKDGVNQ-JTQLQIEISA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C12CCC2 ZINC001604411424 1350932214 /nfs/dbraw/zinc/93/22/14/1350932214.db2.gz CCNSAMVFJIAIED-VXGBXAGGSA-N -1 1 333.417 2.006 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3nnccc3-c3nnn[n-]3)ccc12 ZINC001604510723 1350952174 /nfs/dbraw/zinc/95/21/74/1350952174.db2.gz HYDVENKWKGOWEI-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3nnccc3-c3nn[n-]n3)ccc12 ZINC001604510723 1350952179 /nfs/dbraw/zinc/95/21/79/1350952179.db2.gz HYDVENKWKGOWEI-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1nc(NCCc2c[nH]c3ccccc23)cc(-c2nnn[n-]2)n1 ZINC001604567168 1350962334 /nfs/dbraw/zinc/96/23/34/1350962334.db2.gz BGLHVBJHPCYTBL-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1nc(NCCc2c[nH]c3ccccc23)cc(-c2nn[n-]n2)n1 ZINC001604567168 1350962337 /nfs/dbraw/zinc/96/23/37/1350962337.db2.gz BGLHVBJHPCYTBL-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001604653628 1350977976 /nfs/dbraw/zinc/97/79/76/1350977976.db2.gz VPQRUJMVBOQKPC-WCQYABFASA-N -1 1 328.368 2.476 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc(Cl)c1F ZINC001604790514 1351004122 /nfs/dbraw/zinc/00/41/22/1351004122.db2.gz LTINWTQFGGRJPJ-NSHDSACASA-N -1 1 342.798 2.029 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CC(c2ccccc2)C1 ZINC001604791137 1351004140 /nfs/dbraw/zinc/00/41/40/1351004140.db2.gz QPSASSDXVGIESW-OOHWJJMZSA-N -1 1 345.443 2.123 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1cnn(C2CCCC2)c1 ZINC001604792848 1351005190 /nfs/dbraw/zinc/00/51/90/1351005190.db2.gz GVYQTGWGKQNINW-ZDUSSCGKSA-N -1 1 349.435 2.011 20 0 EEADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001604809183 1351011984 /nfs/dbraw/zinc/01/19/84/1351011984.db2.gz KBHYBAOHBWGYHA-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001604809183 1351011988 /nfs/dbraw/zinc/01/19/88/1351011988.db2.gz KBHYBAOHBWGYHA-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM COC(=O)Nc1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001604953236 1351037926 /nfs/dbraw/zinc/03/79/26/1351037926.db2.gz KNMBAZINPURPOL-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COC(=O)Nc1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001604953236 1351037927 /nfs/dbraw/zinc/03/79/27/1351037927.db2.gz KNMBAZINPURPOL-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM CO[C@H](COC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001605007913 1351051738 /nfs/dbraw/zinc/05/17/38/1351051738.db2.gz FJBANBQBWVYMDD-CQSZACIVSA-N -1 1 328.328 2.313 20 0 EEADMM CO[C@H](COC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001605007913 1351051741 /nfs/dbraw/zinc/05/17/41/1351051741.db2.gz FJBANBQBWVYMDD-CQSZACIVSA-N -1 1 328.328 2.313 20 0 EEADMM COCCc1cccc(OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001605123281 1351082345 /nfs/dbraw/zinc/08/23/45/1351082345.db2.gz MDHUAOQVIAZJDE-UHFFFAOYSA-N -1 1 330.369 2.336 20 0 EEADMM CCC1(c2ccc(Cl)cc2)CCN(CC(=O)NCC(=O)[O-])CC1 ZINC001605149688 1351088854 /nfs/dbraw/zinc/08/88/54/1351088854.db2.gz LQXUUTBNMAVZTQ-UHFFFAOYSA-N -1 1 338.835 2.284 20 0 EEADMM COc1ccc(C[C@@H](C)Nc2cccnc2-c2nnn[n-]2)cc1OC ZINC001605270317 1351120634 /nfs/dbraw/zinc/12/06/34/1351120634.db2.gz BWKKCTQRKSOIKN-LLVKDONJSA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc(C[C@@H](C)Nc2cccnc2-c2nn[n-]n2)cc1OC ZINC001605270317 1351120635 /nfs/dbraw/zinc/12/06/35/1351120635.db2.gz BWKKCTQRKSOIKN-LLVKDONJSA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc2c(c1)[nH]nc2NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605308272 1351131830 /nfs/dbraw/zinc/13/18/30/1351131830.db2.gz YWQUOBLMADQKGG-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM CCCc1nc(C)cc(OCCc2nnn(C(C)(C)C)n2)c1C(=O)[O-] ZINC001605379008 1351148849 /nfs/dbraw/zinc/14/88/49/1351148849.db2.gz MWUKCYKJTXFVHD-UHFFFAOYSA-N -1 1 347.419 2.404 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001605488133 1351169766 /nfs/dbraw/zinc/16/97/66/1351169766.db2.gz QAVDLRLTYBHCIF-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001605488133 1351169770 /nfs/dbraw/zinc/16/97/70/1351169770.db2.gz QAVDLRLTYBHCIF-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc(C)n1 ZINC001605631245 1351205229 /nfs/dbraw/zinc/20/52/29/1351205229.db2.gz YUHJZLDDXRWBMF-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc(C)n1 ZINC001605631245 1351205232 /nfs/dbraw/zinc/20/52/32/1351205232.db2.gz YUHJZLDDXRWBMF-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM CCOc1c(Cl)cccc1CN1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001605653126 1351211162 /nfs/dbraw/zinc/21/11/62/1351211162.db2.gz NZGRLZUNENLXLB-NEPJUHHUSA-N -1 1 341.791 2.044 20 0 EEADMM Cc1cc(N[C@@H]2CCOC3(CCSCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001605723321 1351218268 /nfs/dbraw/zinc/21/82/68/1351218268.db2.gz LFMQEHHPQCATOW-GFCCVEGCSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1cc(N[C@@H]2CCOC3(CCSCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001605723321 1351218271 /nfs/dbraw/zinc/21/82/71/1351218271.db2.gz LFMQEHHPQCATOW-GFCCVEGCSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001605908569 1351251863 /nfs/dbraw/zinc/25/18/63/1351251863.db2.gz FOVCMMXAUGPBCP-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605908569 1351251865 /nfs/dbraw/zinc/25/18/65/1351251865.db2.gz FOVCMMXAUGPBCP-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1nsc(NC(=O)COCc2cccc(C)c2)c1-c1nnn[n-]1 ZINC001605914844 1351253070 /nfs/dbraw/zinc/25/30/70/1351253070.db2.gz XOTCFZLNAKWJML-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM Cc1nsc(NC(=O)COCc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001605914844 1351253076 /nfs/dbraw/zinc/25/30/76/1351253076.db2.gz XOTCFZLNAKWJML-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001605981640 1351261266 /nfs/dbraw/zinc/26/12/66/1351261266.db2.gz KSEPKPMSDHCKKT-ZDUSSCGKSA-N -1 1 342.380 2.426 20 0 EEADMM O=C(CC/C=C/c1ccccc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606513198 1351314449 /nfs/dbraw/zinc/31/44/49/1351314449.db2.gz MUUUHQYBNODVHG-XBXARRHUSA-N -1 1 334.383 2.372 20 0 EEADMM O=C(CC/C=C/c1ccccc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606513198 1351314453 /nfs/dbraw/zinc/31/44/53/1351314453.db2.gz MUUUHQYBNODVHG-XBXARRHUSA-N -1 1 334.383 2.372 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606704787 1351344807 /nfs/dbraw/zinc/34/48/07/1351344807.db2.gz NMEIRBQEWHIDIG-UHFFFAOYSA-N -1 1 340.309 2.114 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606704787 1351344811 /nfs/dbraw/zinc/34/48/11/1351344811.db2.gz NMEIRBQEWHIDIG-UHFFFAOYSA-N -1 1 340.309 2.114 20 0 EEADMM O=C(NCCc1cccc2ccccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606797005 1351358304 /nfs/dbraw/zinc/35/83/04/1351358304.db2.gz OLOFXFWUYFVPAG-UHFFFAOYSA-N -1 1 344.378 2.387 20 0 EEADMM O=C(NCCc1cccc2ccccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606797005 1351358307 /nfs/dbraw/zinc/35/83/07/1351358307.db2.gz OLOFXFWUYFVPAG-UHFFFAOYSA-N -1 1 344.378 2.387 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1noc2c1CCCCC2 ZINC001606832119 1351363753 /nfs/dbraw/zinc/36/37/53/1351363753.db2.gz RHCFVJMATRCETF-UHFFFAOYSA-N -1 1 344.400 2.115 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc2c(c1)CCCC2=O ZINC001606934531 1351379820 /nfs/dbraw/zinc/37/98/20/1351379820.db2.gz DEVTVWBSJPEZQO-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc2c(c1)CCCC2=O ZINC001606934531 1351379824 /nfs/dbraw/zinc/37/98/24/1351379824.db2.gz DEVTVWBSJPEZQO-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606934723 1351379937 /nfs/dbraw/zinc/37/99/37/1351379937.db2.gz JCXSOJZUVSXEMU-WCQYABFASA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606934723 1351379940 /nfs/dbraw/zinc/37/99/40/1351379940.db2.gz JCXSOJZUVSXEMU-WCQYABFASA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1cccc2ccc(O)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606938278 1351380637 /nfs/dbraw/zinc/38/06/37/1351380637.db2.gz NMRODBMISQEEIP-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1cccc2ccc(O)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606938278 1351380640 /nfs/dbraw/zinc/38/06/40/1351380640.db2.gz NMRODBMISQEEIP-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(F)c1-c1nn[nH]n1 ZINC001606950379 1351382931 /nfs/dbraw/zinc/38/29/31/1351382931.db2.gz VIGDSLYGXJUEFC-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM O=C(Nc1nnc(C(F)F)s1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606954055 1351383551 /nfs/dbraw/zinc/38/35/51/1351383551.db2.gz GGFXWAVARDLEJE-UHFFFAOYSA-N -1 1 341.278 2.047 20 0 EEADMM O=C(Nc1nnc(C(F)F)s1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606954055 1351383555 /nfs/dbraw/zinc/38/35/55/1351383555.db2.gz GGFXWAVARDLEJE-UHFFFAOYSA-N -1 1 341.278 2.047 20 0 EEADMM O=C(OC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967860 1351387274 /nfs/dbraw/zinc/38/72/74/1351387274.db2.gz QXGPIFXMEOWARN-WFASDCNBSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCC[C@@H]1C(F)F ZINC001607007317 1351396332 /nfs/dbraw/zinc/39/63/32/1351396332.db2.gz UJVSGJXNPJCIBQ-SNVBAGLBSA-N -1 1 343.284 2.405 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCC[C@@H]1C(F)F ZINC001607007317 1351396333 /nfs/dbraw/zinc/39/63/33/1351396333.db2.gz UJVSGJXNPJCIBQ-SNVBAGLBSA-N -1 1 343.284 2.405 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC=C(Cl)C1 ZINC001607007251 1351396487 /nfs/dbraw/zinc/39/64/87/1351396487.db2.gz SPBSWQNCHVDLBN-UHFFFAOYSA-N -1 1 325.706 2.114 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC=C(Cl)C1 ZINC001607007251 1351396488 /nfs/dbraw/zinc/39/64/88/1351396488.db2.gz SPBSWQNCHVDLBN-UHFFFAOYSA-N -1 1 325.706 2.114 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001607016980 1351398454 /nfs/dbraw/zinc/39/84/54/1351398454.db2.gz JXWQDPFYSLOKIV-OAHLLOKOSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001607016980 1351398455 /nfs/dbraw/zinc/39/84/55/1351398455.db2.gz JXWQDPFYSLOKIV-OAHLLOKOSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC=C(c2ccncc2)C1 ZINC001607027773 1351400386 /nfs/dbraw/zinc/40/03/86/1351400386.db2.gz RPBUWFYKEOUPLZ-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC=C(c2ccncc2)C1 ZINC001607027773 1351400390 /nfs/dbraw/zinc/40/03/90/1351400390.db2.gz RPBUWFYKEOUPLZ-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1C2CCCC1CCC2 ZINC001607075191 1351407163 /nfs/dbraw/zinc/40/71/63/1351407163.db2.gz YRLXXLCSWLNZGU-UHFFFAOYSA-N -1 1 339.446 2.024 20 0 EEADMM OC[C@H]1Cc2ccccc2N(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001607105857 1351420410 /nfs/dbraw/zinc/42/04/10/1351420410.db2.gz GQDYNFGMECOHJS-NSHDSACASA-N -1 1 327.413 2.099 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CC(OCCCc2ccccc2)C1 ZINC001607128069 1351430433 /nfs/dbraw/zinc/43/04/33/1351430433.db2.gz DHRZRLXCKYWISS-UHFFFAOYSA-N -1 1 339.399 2.293 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CC(OCCCc2ccccc2)C1 ZINC001607128069 1351430435 /nfs/dbraw/zinc/43/04/35/1351430435.db2.gz DHRZRLXCKYWISS-UHFFFAOYSA-N -1 1 339.399 2.293 20 0 EEADMM c1ccc(COc2cccc(Nc3cncc(-c4nnn[n-]4)n3)c2)nc1 ZINC001607129173 1351431557 /nfs/dbraw/zinc/43/15/57/1351431557.db2.gz LMNFMXIQLHHNNV-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(COc2cccc(Nc3cncc(-c4nn[n-]n4)n3)c2)nc1 ZINC001607129173 1351431559 /nfs/dbraw/zinc/43/15/59/1351431559.db2.gz LMNFMXIQLHHNNV-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@@]2(C1)CCCOC2 ZINC001607131630 1351432763 /nfs/dbraw/zinc/43/27/63/1351432763.db2.gz LCUWEGXXEZYOEK-GOSISDBHSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@@]2(C1)CCCOC2 ZINC001607131630 1351432765 /nfs/dbraw/zinc/43/27/65/1351432765.db2.gz LCUWEGXXEZYOEK-GOSISDBHSA-N -1 1 336.399 2.422 20 0 EEADMM COc1cc(OC)cc([C@H](NC(C)(C)c2cnn(C)c2)C(=O)[O-])c1 ZINC001607187031 1351445652 /nfs/dbraw/zinc/44/56/52/1351445652.db2.gz LGYIGUDOSVUTPI-HNNXBMFYSA-N -1 1 333.388 2.088 20 0 EEADMM COc1ccc(C)cc1[C@H](C)N[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001607236652 1351455936 /nfs/dbraw/zinc/45/59/36/1351455936.db2.gz QQCWXACNERSHPB-ZFWWWQNUSA-N -1 1 334.416 2.120 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001607459874 1351497303 /nfs/dbraw/zinc/49/73/03/1351497303.db2.gz KZQMFPDQVSVFRY-KWBADKCTSA-N -1 1 340.807 2.121 20 0 EEADMM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001607508706 1351507775 /nfs/dbraw/zinc/50/77/75/1351507775.db2.gz LLKSPVDIVVZEEN-LBPRGKRZSA-N -1 1 346.774 2.279 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](c2ccncc2)C2(CO)CCC2)n1C ZINC001607517114 1351509232 /nfs/dbraw/zinc/50/92/32/1351509232.db2.gz GIJYQLKHHZXVKZ-QGZVFWFLSA-N -1 1 343.427 2.420 20 0 EEADMM Cc1cc(C(=O)[O-])nc(NCC2(CN3CCOCC3)CCCCC2)n1 ZINC001607601824 1351522356 /nfs/dbraw/zinc/52/23/56/1351522356.db2.gz RUVRYIRDIHLDPP-UHFFFAOYSA-N -1 1 348.447 2.178 20 0 EEADMM Cc1cc(CNC[C@H](n2cncn2)C(F)(F)F)ccc1C(=O)[O-] ZINC001607649646 1351532756 /nfs/dbraw/zinc/53/27/56/1351532756.db2.gz WCSAVDOFOUQQBI-LBPRGKRZSA-N -1 1 328.294 2.178 20 0 EEADMM Cc1ccc2nc(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])cc(=O)n2c1 ZINC001607834421 1351567869 /nfs/dbraw/zinc/56/78/69/1351567869.db2.gz FIHGDZMZPPXCPG-QGZVFWFLSA-N -1 1 349.390 2.014 20 0 EEADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC001607836755 1351568865 /nfs/dbraw/zinc/56/88/65/1351568865.db2.gz ZVBDFRVKXUIKEI-UHFFFAOYSA-N -1 1 339.355 2.378 20 0 EEADMM O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)c1ccc([O-])cn1 ZINC001635029237 1352639110 /nfs/dbraw/zinc/63/91/10/1352639110.db2.gz FROFOQSOMBMANT-KRWDZBQOSA-N -1 1 335.363 2.120 20 0 EEADMM O=C(NC[C@@H](c1nc[nH]n1)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC001635399453 1352644965 /nfs/dbraw/zinc/64/49/65/1352644965.db2.gz JPQGCJWOAPHYSG-CYBMUJFWSA-N -1 1 344.321 2.350 20 0 EEADMM CCC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)c1nn[n-]n1 ZINC001645623475 1352793171 /nfs/dbraw/zinc/79/31/71/1352793171.db2.gz YUWODBCMDRPMAK-CYBMUJFWSA-N -1 1 344.419 2.086 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCC[C@@H]3CCOC3)n2)cc1 ZINC001645831612 1352804088 /nfs/dbraw/zinc/80/40/88/1352804088.db2.gz GOAWDMWZYNZFLF-LBPRGKRZSA-N -1 1 332.356 2.170 20 0 EEADMM Cc1ncc(C(=O)OCC(=O)c2ccc([O-])cc2O)c(C2CC2)n1 ZINC001647175921 1353176036 /nfs/dbraw/zinc/17/60/36/1353176036.db2.gz JAGCWHGHJFCMFU-UHFFFAOYSA-N -1 1 328.324 2.113 20 0 EEADMM O=C([O-])C[C@H](CNCc1ncc(Br)cc1F)C(F)F ZINC001649931934 1353654469 /nfs/dbraw/zinc/65/44/69/1353654469.db2.gz IQKLGDXDTCYALE-ZCFIWIBFSA-N -1 1 341.127 2.429 20 0 EEADMM CC(C)CCOc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001650582481 1354004321 /nfs/dbraw/zinc/00/43/21/1354004321.db2.gz OJCBXZSZKYIRDP-CQSZACIVSA-N -1 1 329.404 2.254 20 0 EEADMM Cc1cc(=O)c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c[nH]1 ZINC001654506266 1354150160 /nfs/dbraw/zinc/15/01/60/1354150160.db2.gz IFDVXQNNWORGLM-UHFFFAOYSA-N -1 1 345.746 2.080 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001654603484 1354153935 /nfs/dbraw/zinc/15/39/35/1354153935.db2.gz PIRBYXXCUZDCBT-MRXNPFEDSA-N -1 1 348.362 2.451 20 0 EEADMM CCCC[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001388492856 1387503801 /nfs/dbraw/zinc/50/38/01/1387503801.db2.gz OOWCKHNIEIRLFZ-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)[C@@H](CNC(=O)C1CC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001388904261 1387794576 /nfs/dbraw/zinc/79/45/76/1387794576.db2.gz YAPXWDVXNXCERY-CYBMUJFWSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096261 1368138185 /nfs/dbraw/zinc/13/81/85/1368138185.db2.gz BOHIMQBQTXWKMY-IUODEOHRSA-N -1 1 345.403 2.313 20 0 EEADMM CC(=O)c1csc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1 ZINC000346117759 1368138317 /nfs/dbraw/zinc/13/83/17/1368138317.db2.gz FVHQNSVNBGZKTI-UHFFFAOYSA-N -1 1 343.368 2.295 20 0 EEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccnc(F)c2)c1 ZINC001187547932 1368250207 /nfs/dbraw/zinc/25/02/07/1368250207.db2.gz GJCPQOZWLWHQQH-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM COc1ccc2nc([N-]C(=O)c3nnsc3C3CC3)nnc2c1 ZINC001188082503 1368280779 /nfs/dbraw/zinc/28/07/79/1368280779.db2.gz BTJKCGGGCDYUMQ-UHFFFAOYSA-N -1 1 328.357 2.015 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2nnc(-c3ccco3)o2)c(OC)c1 ZINC001190109939 1368394862 /nfs/dbraw/zinc/39/48/62/1368394862.db2.gz DEHRHYFKCGCSNJ-UHFFFAOYSA-N -1 1 331.284 2.305 20 0 EEADMM NC(=O)c1cc2[nH]ccc2c(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195306681 1368517190 /nfs/dbraw/zinc/51/71/90/1368517190.db2.gz WQIIQFUZPYUCJU-UHFFFAOYSA-N -1 1 330.731 2.273 20 0 EEADMM O=S(=O)([N-]Cc1cocn1)c1c(F)cccc1Br ZINC001201049171 1368778084 /nfs/dbraw/zinc/77/80/84/1368778084.db2.gz YIJDPQCVHAHWNS-UHFFFAOYSA-N -1 1 335.154 2.055 20 0 EEADMM CC[C@H](C)CONC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852353174 1369264230 /nfs/dbraw/zinc/26/42/30/1369264230.db2.gz COGFGACADCNOGJ-AXFHLTTASA-N -1 1 339.358 2.063 20 0 EEADMM COCCN(CC(F)F)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319856 1369461503 /nfs/dbraw/zinc/46/15/03/1369461503.db2.gz NQXHRXUYHGRTEM-UHFFFAOYSA-N -1 1 329.376 2.174 20 0 EEADMM Cc1cnc(C)nc1NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001069461672 1370133100 /nfs/dbraw/zinc/13/31/00/1370133100.db2.gz RXVZUNKXFUURRP-UONOGXRCSA-N -1 1 341.415 2.205 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C(C1CC1)C1CC1)NC(=O)c1ncccc1[O-] ZINC001413703435 1370535661 /nfs/dbraw/zinc/53/56/61/1370535661.db2.gz NPMZEYVXNQBNRC-RYUDHWBXSA-N -1 1 345.443 2.237 20 0 EEADMM CC(C)=C(F)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001073879578 1370922853 /nfs/dbraw/zinc/92/28/53/1370922853.db2.gz STWROGDUMVQNOZ-NEPJUHHUSA-N -1 1 335.379 2.017 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CC(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001074831929 1370955954 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Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001591889133 1403969297 /nfs/dbraw/zinc/96/92/97/1403969297.db2.gz PQTSUFMFFLHNTG-ZIAGYGMSSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001591889133 1403969306 /nfs/dbraw/zinc/96/93/06/1403969306.db2.gz PQTSUFMFFLHNTG-ZIAGYGMSSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)Cc2ccc(F)cc2C)n1 ZINC001591890938 1403969587 /nfs/dbraw/zinc/96/95/87/1403969587.db2.gz MHSMQZQCORJEBY-JTQLQIEISA-N -1 1 327.367 2.456 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)Cc2ccc(F)cc2C)n1 ZINC001591890938 1403969594 /nfs/dbraw/zinc/96/95/94/1403969594.db2.gz MHSMQZQCORJEBY-JTQLQIEISA-N -1 1 327.367 2.456 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001591893409 1403969972 /nfs/dbraw/zinc/96/99/72/1403969972.db2.gz FQSJVSDXNKBBNV-LBPRGKRZSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001591893409 1403969980 /nfs/dbraw/zinc/96/99/80/1403969980.db2.gz FQSJVSDXNKBBNV-LBPRGKRZSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1nsc(NCc2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC001592492895 1404701076 /nfs/dbraw/zinc/70/10/76/1404701076.db2.gz BTXIAFABBGRCOK-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1nsc(NC(=O)c2ccnc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC001592481581 1404701543 /nfs/dbraw/zinc/70/15/43/1404701543.db2.gz COEXLUXGWUPLBK-UHFFFAOYSA-N -1 1 345.388 2.066 20 0 EEADMM Cc1nsc(NC(=O)c2ccnc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC001592481581 1404701552 /nfs/dbraw/zinc/70/15/52/1404701552.db2.gz COEXLUXGWUPLBK-UHFFFAOYSA-N -1 1 345.388 2.066 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1cccc(C(F)F)c1 ZINC001592914701 1404729529 /nfs/dbraw/zinc/72/95/29/1404729529.db2.gz HNGYOIBYFAQVMD-UHFFFAOYSA-N -1 1 345.309 2.485 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1cccc(C(F)F)c1 ZINC001592914701 1404729533 /nfs/dbraw/zinc/72/95/33/1404729533.db2.gz HNGYOIBYFAQVMD-UHFFFAOYSA-N -1 1 345.309 2.485 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001606193232 1404776315 /nfs/dbraw/zinc/77/63/15/1404776315.db2.gz SUAXYTNVEOPFTG-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001606193232 1404776325 /nfs/dbraw/zinc/77/63/25/1404776325.db2.gz SUAXYTNVEOPFTG-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)no1 ZINC000164887554 1405713216 /nfs/dbraw/zinc/71/32/16/1405713216.db2.gz BNQDNIFRKNOZKG-YFKPBYRVSA-N -1 1 337.188 2.119 20 0 EEADMM O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC001771918387 1409979989 /nfs/dbraw/zinc/97/99/89/1409979989.db2.gz UQAUBASKGIRMCN-ZFWWWQNUSA-N -1 1 340.383 2.105 20 0 EEADMM CCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000184153206 782671986 /nfs/dbraw/zinc/67/19/86/782671986.db2.gz DPLKLRYXBCFEPA-UHFFFAOYSA-N -1 1 329.381 2.244 20 0 EEADMM O=C(NCC1C[NH+]([C@H]2CCc3c2cccc3F)C1)c1ncccc1[O-] ZINC001031628321 770453072 /nfs/dbraw/zinc/45/30/72/770453072.db2.gz HYCVBKMBZBNCEA-INIZCTEOSA-N -1 1 341.386 2.275 20 0 EEADMM CCOC(=O)[C@H](C[C@@H](C)CC)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000921382960 773318233 /nfs/dbraw/zinc/31/82/33/773318233.db2.gz MOBLRUJRCSQQRW-GWCFXTLKSA-N -1 1 348.490 2.239 20 0 EEADMM Cc1nc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])sc1C ZINC001027843988 773414882 /nfs/dbraw/zinc/41/48/82/773414882.db2.gz KQLYQUICRQABRR-CYBMUJFWSA-N -1 1 346.456 2.255 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCCCC1 ZINC000938357298 773776306 /nfs/dbraw/zinc/77/63/06/773776306.db2.gz NXNWRIBUHJKBCJ-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(NC1CCC(NC(=O)[C@]23C[C@H]2CCC3)CC1)c1ncccc1[O-] ZINC000980144190 773941261 /nfs/dbraw/zinc/94/12/61/773941261.db2.gz AQCJVWNCRKJAKI-WBICIVBESA-N -1 1 343.427 2.135 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC000942756914 783143111 /nfs/dbraw/zinc/14/31/11/783143111.db2.gz TWNRFTNXKCUOSW-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075861 774173934 /nfs/dbraw/zinc/17/39/34/774173934.db2.gz MMSXSJILKPPWRY-UHFFFAOYSA-N -1 1 330.365 2.420 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980394341 774510273 /nfs/dbraw/zinc/51/02/73/774510273.db2.gz HAOSMZCBLIITNP-FORMXFIPSA-N -1 1 345.443 2.094 20 0 EEADMM Cc1cc(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)cs1 ZINC000938870291 774834701 /nfs/dbraw/zinc/83/47/01/774834701.db2.gz ZPVSUJYWCIUZJK-ZDUSSCGKSA-N -1 1 345.424 2.144 20 0 EEADMM O=C([O-])[C@@H]1CCCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000263561762 775244855 /nfs/dbraw/zinc/24/48/55/775244855.db2.gz CKBHSDQARZVXOF-YGRLFVJLSA-N -1 1 340.782 2.381 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2nc3c(cccc3F)o2)C1 ZINC001058879057 777135456 /nfs/dbraw/zinc/13/54/56/777135456.db2.gz LBLCGZATBUJDGR-JTQLQIEISA-N -1 1 342.330 2.394 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1)c1ncccc1[O-] ZINC000940138587 778164984 /nfs/dbraw/zinc/16/49/84/778164984.db2.gz GOHFECGSHGYZOZ-CYBMUJFWSA-N -1 1 345.786 2.085 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000080741237 779051905 /nfs/dbraw/zinc/05/19/05/779051905.db2.gz VYCIRAKNKJNZBL-UHFFFAOYSA-N -1 1 329.309 2.348 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c[n-]1 ZINC000080741237 779051907 /nfs/dbraw/zinc/05/19/07/779051907.db2.gz VYCIRAKNKJNZBL-UHFFFAOYSA-N -1 1 329.309 2.348 20 0 EEADMM C[C@H]1CC2(CN1C(=O)c1ncccc1[O-])CCN(C(=O)C1CC1)CC2 ZINC000982244927 779355543 /nfs/dbraw/zinc/35/55/43/779355543.db2.gz KBYLUQILBJWOGU-ZDUSSCGKSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1ccc(C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000940832728 779378742 /nfs/dbraw/zinc/37/87/42/779378742.db2.gz OREWDIHXIVINDB-UHFFFAOYSA-N -1 1 339.395 2.084 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21 ZINC001075664967 780991325 /nfs/dbraw/zinc/99/13/25/780991325.db2.gz RKURYFCYZJIZJE-RQOXSVAGSA-N -1 1 342.443 2.059 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ccn3ccnc3c2)Cc2ccccc2C1 ZINC001167935685 780994758 /nfs/dbraw/zinc/99/47/58/780994758.db2.gz QKYMKGWFDJFBPK-UHFFFAOYSA-N -1 1 329.296 2.419 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cc3nccc-3[n-][nH+]2)Cc2ccccc2C1 ZINC001167936266 780998656 /nfs/dbraw/zinc/99/86/56/780998656.db2.gz YCYUNKGFBQLMHC-UHFFFAOYSA-N -1 1 330.284 2.043 20 0 EEADMM C[C@@H](CC(=O)[N-]O[C@@H]1CCCCO1)n1cc(Br)cn1 ZINC000843781699 781839885 /nfs/dbraw/zinc/83/98/85/781839885.db2.gz IFFFHZJWMVBBPZ-JOYOIKCWSA-N -1 1 332.198 2.171 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C1CC(C)(C)C1 ZINC000945288519 783782482 /nfs/dbraw/zinc/78/24/82/783782482.db2.gz LHWYDDVWUMEHBA-GXTWGEPZSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H](C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(F)F ZINC000816776785 784257607 /nfs/dbraw/zinc/25/76/07/784257607.db2.gz HCCCRQFABUABCZ-RKDXNWHRSA-N -1 1 330.297 2.195 20 0 EEADMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907314106 784542492 /nfs/dbraw/zinc/54/24/92/784542492.db2.gz NDZUZUBGQUAIDE-HNNXBMFYSA-N -1 1 341.411 2.473 20 0 EEADMM O=C([N-]OCC1CC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000817325001 784687103 /nfs/dbraw/zinc/68/71/03/784687103.db2.gz UWRDYOSVAPLLAS-JTQLQIEISA-N -1 1 326.755 2.290 20 0 EEADMM COC(=O)[C@]1(C)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000907533781 784698371 /nfs/dbraw/zinc/69/83/71/784698371.db2.gz YXHWTFQMFNLCJB-SFHVURJKSA-N -1 1 329.352 2.419 20 0 EEADMM O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1ccc([O-])c(F)c1 ZINC000804123167 784879825 /nfs/dbraw/zinc/87/98/25/784879825.db2.gz PBEIOZFHHRLCAJ-ZDUSSCGKSA-N -1 1 343.314 2.045 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1[O-] ZINC001136024244 785016196 /nfs/dbraw/zinc/01/61/96/785016196.db2.gz CNOIECZMSGSNLI-UHFFFAOYSA-N -1 1 340.339 2.199 20 0 EEADMM O=C(CCC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945906069 785076144 /nfs/dbraw/zinc/07/61/44/785076144.db2.gz VFMWTNARVDWKNH-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(CCC1CC1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000945928558 785137286 /nfs/dbraw/zinc/13/72/86/785137286.db2.gz JHLAKHZMDPEKPQ-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM CCC1(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000946032688 785342296 /nfs/dbraw/zinc/34/22/96/785342296.db2.gz BVMCBVRQWMATQL-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1ncccc1CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000908358953 785354126 /nfs/dbraw/zinc/35/41/26/785354126.db2.gz XNUQWPHLJMTUID-UHFFFAOYSA-N -1 1 345.218 2.267 20 0 EEADMM CCN1C(=O)C[C@H](C(=O)Nc2c(C)[n-][nH]c2=O)[C@@H]1c1cccc(C)c1 ZINC000908373506 785364571 /nfs/dbraw/zinc/36/45/71/785364571.db2.gz XSARPWDACVLXOV-BBRMVZONSA-N -1 1 342.399 2.280 20 0 EEADMM COC(=O)c1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2nccs2)s1 ZINC000819634956 785627286 /nfs/dbraw/zinc/62/72/86/785627286.db2.gz MIGFHTHLQGTQLU-ZCFIWIBFSA-N -1 1 347.368 2.355 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2(c3ccc(F)cc3)CCC2)C1 ZINC000908763966 785709467 /nfs/dbraw/zinc/70/94/67/785709467.db2.gz QDVIPLNDSBJRLG-CQSZACIVSA-N -1 1 348.418 2.160 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2cnc(C)s2)c1 ZINC000819957122 785720218 /nfs/dbraw/zinc/72/02/18/785720218.db2.gz HBSBNHUAQAIIER-OAQYLSRUSA-N -1 1 325.411 2.311 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819966484 785722014 /nfs/dbraw/zinc/72/20/14/785722014.db2.gz VVBHQYOWQQKVHY-AAEUAGOBSA-N -1 1 333.363 2.499 20 0 EEADMM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000908815651 785750709 /nfs/dbraw/zinc/75/07/09/785750709.db2.gz DUSPQCCTIKSEDE-IAQYHMDHSA-N -1 1 340.370 2.329 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N(CC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000908925371 785874335 /nfs/dbraw/zinc/87/43/35/785874335.db2.gz NIPGXVAMORFDDH-AWEZNQCLSA-N -1 1 337.420 2.230 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000909010765 785910810 /nfs/dbraw/zinc/91/08/10/785910810.db2.gz WIKNWMYVZGYKCJ-BXUZGUMPSA-N -1 1 330.388 2.266 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000909121732 786006068 /nfs/dbraw/zinc/00/60/68/786006068.db2.gz FNQAHQAWCQFBIR-CYBMUJFWSA-N -1 1 339.823 2.249 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)NC[C@@H](C(=O)[O-])c3ccc(F)cc3)c2C1 ZINC000909705070 786183770 /nfs/dbraw/zinc/18/37/70/786183770.db2.gz VTLPOJPWRWOZHO-QMTHXVAHSA-N -1 1 345.374 2.272 20 0 EEADMM CCC(CC)(CC)C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1 ZINC000996459129 786422072 /nfs/dbraw/zinc/42/20/72/786422072.db2.gz AEVHMJLDSZFTPG-LBPRGKRZSA-N -1 1 337.468 2.053 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCOC(C)(C)C2)c1 ZINC000820740663 786457646 /nfs/dbraw/zinc/45/76/46/786457646.db2.gz DDUYQSOAXPFQQE-XMHCIUCPSA-N -1 1 326.414 2.304 20 0 EEADMM Cc1ccsc1CCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910173615 786495998 /nfs/dbraw/zinc/49/59/98/786495998.db2.gz NZXBKCVUQKEORJ-AWEZNQCLSA-N -1 1 338.473 2.387 20 0 EEADMM CSCCc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000910242863 786568101 /nfs/dbraw/zinc/56/81/01/786568101.db2.gz IGYXSQKJVPPLJJ-CQSZACIVSA-N -1 1 336.457 2.327 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2nnsc2Cl)c1 ZINC000821359429 786716509 /nfs/dbraw/zinc/71/65/09/786716509.db2.gz PGKYHRDUVRSJKG-NRFANRHFSA-N -1 1 346.817 2.051 20 0 EEADMM CN(C)Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cn1 ZINC000910501741 786839119 /nfs/dbraw/zinc/83/91/19/786839119.db2.gz BWLOXRFSNHYRSE-UHFFFAOYSA-N -1 1 339.395 2.040 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822228653 787082086 /nfs/dbraw/zinc/08/20/86/787082086.db2.gz BLGRQAPLIUSTCZ-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822228653 787082092 /nfs/dbraw/zinc/08/20/92/787082092.db2.gz BLGRQAPLIUSTCZ-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM Cc1nc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1C(=O)[O-] ZINC000911095788 787240869 /nfs/dbraw/zinc/24/08/69/787240869.db2.gz JXFQBWZAWAVODI-HNNXBMFYSA-N -1 1 343.383 2.248 20 0 EEADMM Cc1nc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1C(=O)[O-] ZINC000911104531 787244928 /nfs/dbraw/zinc/24/49/28/787244928.db2.gz FDSVXPBXSDBQJO-INIZCTEOSA-N -1 1 345.374 2.260 20 0 EEADMM CC1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC(F)(F)C1 ZINC000822657937 787318699 /nfs/dbraw/zinc/31/86/99/787318699.db2.gz VAXOGWDLODDAPX-UHFFFAOYSA-N -1 1 342.308 2.339 20 0 EEADMM CN1CCN(Cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)CC1 ZINC000911262704 787355527 /nfs/dbraw/zinc/35/55/27/787355527.db2.gz UGDKDKFLZOOKDG-UHFFFAOYSA-N -1 1 347.459 2.264 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822974325 787493488 /nfs/dbraw/zinc/49/34/88/787493488.db2.gz HEXZETKNIFKUEN-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822974325 787493491 /nfs/dbraw/zinc/49/34/91/787493491.db2.gz HEXZETKNIFKUEN-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C[N@H+]1Cc1ccccc1 ZINC000911478459 787497740 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EEADMM C[C@H](CNc1ncnc2ccsc21)NC(=O)c1ncccc1[O-] ZINC001107690364 788070514 /nfs/dbraw/zinc/07/05/14/788070514.db2.gz XCYUXQLKWCONFL-SECBINFHSA-N -1 1 329.385 2.022 20 0 EEADMM CSCC[C@H](NC(=O)C[C@@H](C)c1cccc(F)c1)c1nn[n-]n1 ZINC000912861250 788422009 /nfs/dbraw/zinc/42/20/09/788422009.db2.gz IDLIFRUFXBVZET-MFKMUULPSA-N -1 1 337.424 2.443 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nn[n-]n1 ZINC000912861710 788422573 /nfs/dbraw/zinc/42/25/73/788422573.db2.gz VOQAENVZMWBQEH-GRDNDAEWSA-N -1 1 343.456 2.014 20 0 EEADMM CSCC[C@H](NC(=O)c1cnc2ccccc2c1C)c1nn[n-]n1 ZINC000912861787 788423504 /nfs/dbraw/zinc/42/35/04/788423504.db2.gz XZCAGHCMCIVXDY-AWEZNQCLSA-N -1 1 342.428 2.281 20 0 EEADMM CSCC[C@H](NC(=O)Cc1coc2ccccc12)c1nn[n-]n1 ZINC000912862673 788425833 /nfs/dbraw/zinc/42/58/33/788425833.db2.gz UMMHVLSKQANLPF-LBPRGKRZSA-N -1 1 331.401 2.099 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCc2ncncc2C1 ZINC000843866890 788698624 /nfs/dbraw/zinc/69/86/24/788698624.db2.gz 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CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001455995609 1109044467 /nfs/dbraw/zinc/04/44/67/1109044467.db2.gz FKUBIOCDXCDCPH-AWEZNQCLSA-N -1 1 343.383 2.147 20 0 EEADMM CCN1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1=O ZINC001456068056 1109063744 /nfs/dbraw/zinc/06/37/44/1109063744.db2.gz WMOXSPPJCBEEPJ-LLVKDONJSA-N -1 1 330.306 2.152 20 0 EEADMM CC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)CCC(C)C ZINC001456789739 1109306661 /nfs/dbraw/zinc/30/66/61/1109306661.db2.gz UAPCMUHITAWXAT-CYBMUJFWSA-N -1 1 348.447 2.120 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001457004128 1109409087 /nfs/dbraw/zinc/40/90/87/1109409087.db2.gz MWNKHHSPOJDRQQ-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NC1CC1)c1c[nH]nc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001457107052 1109461769 /nfs/dbraw/zinc/46/17/69/1109461769.db2.gz HDSVYZDITQLVHK-UHFFFAOYSA-N -1 1 336.351 2.413 20 0 EEADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H](O)C1CC1 ZINC001463881983 1110382594 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CC[C@@H](CC(F)(F)F)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001502830131 1113821738 /nfs/dbraw/zinc/82/17/38/1113821738.db2.gz IMVDOAHFOODGCV-UWVGGRQHSA-N -1 1 347.337 2.000 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC1CC1 ZINC001511195300 1117995785 /nfs/dbraw/zinc/99/57/85/1117995785.db2.gz JELBIDQIUSDZEL-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM CCCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001511406191 1118118938 /nfs/dbraw/zinc/11/89/38/1118118938.db2.gz ALVZUEQQQIYNNG-UONOGXRCSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(c1cc2ccccc2nc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC001520380803 1119153084 /nfs/dbraw/zinc/15/30/84/1119153084.db2.gz MVXROCFDUNXNRG-UHFFFAOYSA-N -1 1 342.790 2.421 20 0 EEADMM O=C(c1cccc(Oc2nccs2)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001520459209 1119167452 /nfs/dbraw/zinc/16/74/52/1119167452.db2.gz FTMUKECCNGUSKK-LLVKDONJSA-N -1 1 342.384 2.078 20 0 EEADMM CC(C)(CC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001523203124 1119698547 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/nfs/dbraw/zinc/16/52/45/577165245.db2.gz QGBZOQALMJDXLV-LLVKDONJSA-N -1 1 327.340 2.235 20 0 EEADMM CC(C)(CCCc1ccccc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732959518 577198498 /nfs/dbraw/zinc/19/84/98/577198498.db2.gz CWKRQDLMIJJLTR-HNNXBMFYSA-N -1 1 343.431 2.149 20 0 EEADMM C[C@@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(Cl)s1 ZINC000773157435 577319887 /nfs/dbraw/zinc/31/98/87/577319887.db2.gz JIYFWTPQUYKBLN-HTQZYQBOSA-N -1 1 343.865 2.335 20 0 EEADMM COC(=O)c1cc(C(C)(C)NC(=O)c2c([O-])cccc2Cl)no1 ZINC000773474278 577345621 /nfs/dbraw/zinc/34/56/21/577345621.db2.gz XAGFLBHNKDIHOG-UHFFFAOYSA-N -1 1 338.747 2.485 20 0 EEADMM COCc1cccc(CNC(=O)COC(=O)c2ccc([O-])cc2F)c1 ZINC000773565409 577351753 /nfs/dbraw/zinc/35/17/53/577351753.db2.gz HJWPHHXHKINSQB-UHFFFAOYSA-N -1 1 347.342 2.151 20 0 EEADMM COC[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccc(C)o1 ZINC000774021014 577378429 /nfs/dbraw/zinc/37/84/29/577378429.db2.gz TUCIHKZBXYXRFF-LLVKDONJSA-N -1 1 332.385 2.037 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774047728 577380048 /nfs/dbraw/zinc/38/00/48/577380048.db2.gz YZNXVAKQRPHHLK-FZMZJTMJSA-N -1 1 342.424 2.260 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCc2cccc(O)c21 ZINC000774091129 577382804 /nfs/dbraw/zinc/38/28/04/577382804.db2.gz IGIHWIWELUYHTF-UHFFFAOYSA-N -1 1 326.381 2.317 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCC(C)(C)O ZINC000765459481 577501289 /nfs/dbraw/zinc/50/12/89/577501289.db2.gz KXBZBLJFDUSEQP-UHFFFAOYSA-N -1 1 329.418 2.156 20 0 EEADMM C[C@@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000765479852 577501744 /nfs/dbraw/zinc/50/17/44/577501744.db2.gz NSCAGLQGVMQLBG-VIFPVBQESA-N -1 1 343.305 2.364 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000766580399 577521857 /nfs/dbraw/zinc/52/18/57/577521857.db2.gz MBYGGSMZNIVGDA-UHFFFAOYSA-N -1 1 333.365 2.304 20 0 EEADMM O=C([N-]OCC(F)(F)F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000766777694 577524726 /nfs/dbraw/zinc/52/47/26/577524726.db2.gz 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EEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(C)C ZINC000742307507 577870773 /nfs/dbraw/zinc/87/07/73/577870773.db2.gz VNSZXAOTJGYNFQ-QMMMGPOBSA-N -1 1 327.233 2.338 20 0 EEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc2)o1 ZINC000743259681 577882307 /nfs/dbraw/zinc/88/23/07/577882307.db2.gz JXZHEBDBRJYKCD-AWEZNQCLSA-N -1 1 337.401 2.356 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CN2CCCCCC2=O)c1 ZINC000744458083 577898228 /nfs/dbraw/zinc/89/82/28/577898228.db2.gz CHYKOZACYOAQIG-UHFFFAOYSA-N -1 1 333.384 2.083 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CNC(=O)c2ccccc2)c1 ZINC000744477375 577898470 /nfs/dbraw/zinc/89/84/70/577898470.db2.gz LYFNYTYRFHPZRR-UHFFFAOYSA-N -1 1 341.363 2.111 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000747355134 577942938 /nfs/dbraw/zinc/94/29/38/577942938.db2.gz KQCGTQUGWXYSRM-UHFFFAOYSA-N -1 1 338.371 2.447 20 0 EEADMM COC(=O)[C@@H]1CC12CCN(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)CC2 ZINC000747395592 577943504 /nfs/dbraw/zinc/94/35/04/577943504.db2.gz PSOMNDVRPMFFFV-LBPRGKRZSA-N -1 1 347.415 2.029 20 0 EEADMM O=C(COC(=O)c1csc(C2CC2)n1)[N-]C(=O)c1ccccc1 ZINC000747507133 577945505 /nfs/dbraw/zinc/94/55/05/577945505.db2.gz UBKHUHXRMIVOJA-UHFFFAOYSA-N -1 1 330.365 2.134 20 0 EEADMM Cc1ccccc1[C@H]1CC(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000738761195 578025978 /nfs/dbraw/zinc/02/59/78/578025978.db2.gz POIJFAMTXHUQLP-RDJZCZTQSA-N -1 1 342.439 2.455 20 0 EEADMM O=C(CNC1(C(=O)[O-])CCCCC1)Nc1nc2c(s1)CCCC2 ZINC000739309197 578047829 /nfs/dbraw/zinc/04/78/29/578047829.db2.gz PCPSYYIYXHFLMC-UHFFFAOYSA-N -1 1 337.445 2.338 20 0 EEADMM O=C([O-])[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C1 ZINC000739572284 578058948 /nfs/dbraw/zinc/05/89/48/578058948.db2.gz ONOKLJCTKDPNMX-HUUCEWRRSA-N -1 1 349.431 2.313 20 0 EEADMM O=C([O-])CCc1nnc(NC(=O)c2cn[nH]c2-c2ccccc2)s1 ZINC000739776591 578067492 /nfs/dbraw/zinc/06/74/92/578067492.db2.gz FKTXGCFORNZNKT-UHFFFAOYSA-N -1 1 343.368 2.198 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736138194 578182806 /nfs/dbraw/zinc/18/28/06/578182806.db2.gz PEHYQDXKOOBHOU-ZETCQYMHSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736138194 578182807 /nfs/dbraw/zinc/18/28/07/578182807.db2.gz PEHYQDXKOOBHOU-ZETCQYMHSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccs1 ZINC000736143352 578183171 /nfs/dbraw/zinc/18/31/71/578183171.db2.gz UABNGJSTTUOJGT-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccs1 ZINC000736143352 578183172 /nfs/dbraw/zinc/18/31/72/578183172.db2.gz UABNGJSTTUOJGT-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2ccccc2F)C1 ZINC000736203659 578187123 /nfs/dbraw/zinc/18/71/23/578187123.db2.gz FCGDEPMFPZDMIY-UKRRQHHQSA-N -1 1 348.418 2.327 20 0 EEADMM CCCCOCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736460511 578205565 /nfs/dbraw/zinc/20/55/65/578205565.db2.gz MEVICAUUCNKNPY-UHFFFAOYSA-N -1 1 327.392 2.429 20 0 EEADMM CCCCOCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736460511 578205566 /nfs/dbraw/zinc/20/55/66/578205566.db2.gz MEVICAUUCNKNPY-UHFFFAOYSA-N -1 1 327.392 2.429 20 0 EEADMM C[C@@H](CN(CC(=O)N1CCSc2ccccc21)C1CC1)C(=O)[O-] ZINC000736577908 578211506 /nfs/dbraw/zinc/21/15/06/578211506.db2.gz GXPIVYIYXCUXHC-LBPRGKRZSA-N -1 1 334.441 2.310 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cnc(-c2ccccc2)[nH]1 ZINC000736673098 578217455 /nfs/dbraw/zinc/21/74/55/578217455.db2.gz OEMLESPCZOUZIL-OAHLLOKOSA-N -1 1 345.366 2.109 20 0 EEADMM CCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707088 578219059 /nfs/dbraw/zinc/21/90/59/578219059.db2.gz PNKGSRZFPHBWSD-UHFFFAOYSA-N -1 1 344.806 2.250 20 0 EEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736717386 578220000 /nfs/dbraw/zinc/22/00/00/578220000.db2.gz NGHXHTWCAXQNLA-LBPRGKRZSA-N -1 1 348.424 2.225 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000736718701 578220016 /nfs/dbraw/zinc/22/00/16/578220016.db2.gz UUSLMQJCCZEQPQ-WBVHZDCISA-N -1 1 348.443 2.162 20 0 EEADMM C[C@H](c1nc(-c2cccnc2)no1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736724101 578220331 /nfs/dbraw/zinc/22/03/31/578220331.db2.gz IVSVETVJRIWJHI-DGCLKSJQSA-N -1 1 328.372 2.379 20 0 EEADMM CC(=O)NCCN(Cc1c(Cl)ccc2cccnc21)[C@@H](C)C(=O)[O-] ZINC000263344721 597675906 /nfs/dbraw/zinc/67/59/06/597675906.db2.gz OHCATTXOECCQLQ-NSHDSACASA-N -1 1 349.818 2.299 20 0 EEADMM C[C@H](c1nc(-c2ccccc2)no1)N1CCN(CCCC(=O)[O-])CC1 ZINC000157629132 597792766 /nfs/dbraw/zinc/79/27/66/597792766.db2.gz QVPHDPOJYLXQPW-CQSZACIVSA-N -1 1 344.415 2.280 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1nccnc1-c1nnn[n-]1 ZINC000820307890 607329361 /nfs/dbraw/zinc/32/93/61/607329361.db2.gz QRFQNVSBZBPNEV-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1nccnc1-c1nn[n-]n1 ZINC000820307890 607329362 /nfs/dbraw/zinc/32/93/62/607329362.db2.gz QRFQNVSBZBPNEV-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCN1C[C@@H](C)O ZINC000820296970 598169461 /nfs/dbraw/zinc/16/94/61/598169461.db2.gz HWWTWSPKZRSAJH-UKRRQHHQSA-N -1 1 349.431 2.002 20 0 EEADMM CN(C)c1ncccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821590824 599473551 /nfs/dbraw/zinc/47/35/51/599473551.db2.gz HRFKYJUJRRGOPE-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM O=C([O-])c1cc(NC(=O)N2CCN(C3CCC3)CC2)c(F)cc1F ZINC000393207840 600227254 /nfs/dbraw/zinc/22/72/54/600227254.db2.gz GEGXROFFJGONCY-UHFFFAOYSA-N -1 1 339.342 2.365 20 0 EEADMM Cc1[nH]c(C(=O)N2CCN(C)CC23CCCCC3)c(C)c1C(=O)[O-] ZINC000832842710 600834303 /nfs/dbraw/zinc/83/43/03/600834303.db2.gz CNJRXPILLLOXLA-UHFFFAOYSA-N -1 1 333.432 2.420 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000827369466 601123451 /nfs/dbraw/zinc/12/34/51/601123451.db2.gz YXSHPBKRKLTSDH-SNVBAGLBSA-N -1 1 343.786 2.492 20 0 EEADMM Cc1cc(N(C)C)ccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832888368 601128204 /nfs/dbraw/zinc/12/82/04/601128204.db2.gz ICZNGWQGOMNGGO-CQSZACIVSA-N -1 1 348.447 2.074 20 0 EEADMM Cc1cc2cc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)ccc2[nH]1 ZINC000832906418 601133131 /nfs/dbraw/zinc/13/31/31/601133131.db2.gz DPPRQHFZVCGZHG-ZDUSSCGKSA-N -1 1 344.415 2.489 20 0 EEADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000032591501 601321571 /nfs/dbraw/zinc/32/15/71/601321571.db2.gz ZTHNHMRPFLSZNN-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM Cc1nc(NC(=O)c2cn[nH]c2-c2ccncc2)sc1C(=O)[O-] ZINC000833002063 601436236 /nfs/dbraw/zinc/43/62/36/601436236.db2.gz KXSUQLMNYKKAGB-UHFFFAOYSA-N -1 1 329.341 2.187 20 0 EEADMM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000825989860 601630879 /nfs/dbraw/zinc/63/08/79/601630879.db2.gz HRMSSPHVWZICBH-KDOFPFPSSA-N -1 1 344.455 2.309 20 0 EEADMM C[C@H]1CCCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000828257626 601634438 /nfs/dbraw/zinc/63/44/38/601634438.db2.gz GXDINBBLVSSKBG-GUYCJALGSA-N -1 1 343.427 2.154 20 0 EEADMM CCCCC[C@H](NC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC000829332882 601760664 /nfs/dbraw/zinc/76/06/64/601760664.db2.gz DHXPINRYGIVVEZ-NSHDSACASA-N -1 1 349.412 2.387 20 0 EEADMM CC[C@@H]1C[C@H](C)CN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829076015 601881651 /nfs/dbraw/zinc/88/16/51/601881651.db2.gz ZFOSJIFXTDENBE-GXTWGEPZSA-N -1 1 345.399 2.231 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000833223569 601893483 /nfs/dbraw/zinc/89/34/83/601893483.db2.gz ZXNXUHHJEXIMHP-MRXNPFEDSA-N -1 1 348.468 2.070 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])[nH]1 ZINC000833021477 602050841 /nfs/dbraw/zinc/05/08/41/602050841.db2.gz MRNWXYVQPJMWAM-NWDGAFQWSA-N -1 1 340.449 2.135 20 0 EEADMM O=C([O-])[C@@H](OC(=O)CCc1nc[nH]n1)c1ccc(Cl)cc1Cl ZINC000833104160 602089725 /nfs/dbraw/zinc/08/97/25/602089725.db2.gz BEKTWQYSNZFSDU-LBPRGKRZSA-N -1 1 344.154 2.413 20 0 EEADMM O=C([O-])CCCCCCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000403074972 602096099 /nfs/dbraw/zinc/09/60/99/602096099.db2.gz DIUOKDVOLPDNQT-HNNXBMFYSA-N -1 1 325.453 2.291 20 0 EEADMM O=C([O-])CCCCCCCNC(=O)N1CCN2CCCC[C@H]2C1 ZINC000403074972 602096103 /nfs/dbraw/zinc/09/61/03/602096103.db2.gz DIUOKDVOLPDNQT-HNNXBMFYSA-N -1 1 325.453 2.291 20 0 EEADMM COc1cc(Cl)ccc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000832005006 602155521 /nfs/dbraw/zinc/15/55/21/602155521.db2.gz ZDGBHVWYYHPVHW-UHFFFAOYSA-N -1 1 348.789 2.304 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000833346324 602156003 /nfs/dbraw/zinc/15/60/03/602156003.db2.gz IAVVARLYYZXKRZ-WAYWQWQTSA-N -1 1 328.346 2.393 20 0 EEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1C[C@H]2CCC[C@@H]21 ZINC000830901783 602207693 /nfs/dbraw/zinc/20/76/93/602207693.db2.gz LYOQIGQHYPAXQE-JKIFEVAISA-N -1 1 341.411 2.206 20 0 EEADMM Cc1ccc2nc(CNC(=O)Nc3cc(C(=O)[O-])n(C)c3)[nH]c2c1 ZINC000832958681 602359462 /nfs/dbraw/zinc/35/94/62/602359462.db2.gz IOUNIPCRMLEXTO-UHFFFAOYSA-N -1 1 327.344 2.230 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccnc2ccccc21 ZINC000826467453 607598473 /nfs/dbraw/zinc/59/84/73/607598473.db2.gz WQQPMIVYPXDDPH-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccnc2ccccc21 ZINC000826467453 607598474 /nfs/dbraw/zinc/59/84/74/607598474.db2.gz WQQPMIVYPXDDPH-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000825717956 607683973 /nfs/dbraw/zinc/68/39/73/607683973.db2.gz RVYLITHVYLERAY-UHFFFAOYSA-N -1 1 347.375 2.369 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000833261687 604322758 /nfs/dbraw/zinc/32/27/58/604322758.db2.gz ONHKOJKRFUKCDK-ZDUSSCGKSA-N -1 1 330.344 2.072 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1cccs1 ZINC000830581365 604323004 /nfs/dbraw/zinc/32/30/04/604323004.db2.gz NLSACINFBWGJIF-LBPRGKRZSA-N -1 1 334.401 2.266 20 0 EEADMM CC(=O)NC1(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCCCC1 ZINC000833396640 604500462 /nfs/dbraw/zinc/50/04/62/604500462.db2.gz WFOQLHCFKPAHND-UHFFFAOYSA-N -1 1 344.371 2.039 20 0 EEADMM CN(CCC(=O)[O-])CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000818463011 604737566 /nfs/dbraw/zinc/73/75/66/604737566.db2.gz IAUIWSGVRHGTEX-UHFFFAOYSA-N -1 1 326.396 2.299 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000833770396 604766550 /nfs/dbraw/zinc/76/65/50/604766550.db2.gz FMUUHLQDANZQPT-UONOGXRCSA-N -1 1 348.226 2.184 20 0 EEADMM O=C([O-])c1cccc(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000347358792 604766778 /nfs/dbraw/zinc/76/67/78/604766778.db2.gz GEABYHSIRILEFP-UHFFFAOYSA-N -1 1 341.342 2.302 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C/C(Cl)=C\Cl ZINC000826294931 607717999 /nfs/dbraw/zinc/71/79/99/607717999.db2.gz JZJIXAMIMYCXSF-XBXARRHUSA-N -1 1 337.170 2.204 20 0 EEADMM CC(C)COC(=O)N1CCCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833490459 604867113 /nfs/dbraw/zinc/86/71/13/604867113.db2.gz VIHJQNZFWKKOCL-OAHLLOKOSA-N -1 1 335.404 2.008 20 0 EEADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000833685276 604916922 /nfs/dbraw/zinc/91/69/22/604916922.db2.gz JBLXDHXMKVWGFW-UONOGXRCSA-N -1 1 335.404 2.149 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000833782080 604930244 /nfs/dbraw/zinc/93/02/44/604930244.db2.gz LXHHPTAZTUHERP-VXGBXAGGSA-N -1 1 333.306 2.009 20 0 EEADMM CN(C)C1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCC1 ZINC000830585230 604958292 /nfs/dbraw/zinc/95/82/92/604958292.db2.gz TYTNJXOEXURVBP-UHFFFAOYSA-N -1 1 326.780 2.226 20 0 EEADMM CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C ZINC000833655322 605132733 /nfs/dbraw/zinc/13/27/33/605132733.db2.gz CVUJXXIBAAZMRB-HUUCEWRRSA-N -1 1 348.443 2.322 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@H]1C ZINC000833655322 605132735 /nfs/dbraw/zinc/13/27/35/605132735.db2.gz CVUJXXIBAAZMRB-HUUCEWRRSA-N -1 1 348.443 2.322 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](c2cccc(C)c2)C1)C(=O)[O-] ZINC000833639910 605425926 /nfs/dbraw/zinc/42/59/26/605425926.db2.gz RRDFAWSLWCMZTP-QILLFSRXSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccc2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)cn2c1 ZINC000822280807 606136738 /nfs/dbraw/zinc/13/67/38/606136738.db2.gz XKRRBEIOZNMISF-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM Cc1ccc2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)cn2c1 ZINC000822280807 606136739 /nfs/dbraw/zinc/13/67/39/606136739.db2.gz XKRRBEIOZNMISF-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM CN(C)c1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cs1 ZINC000821590874 606142521 /nfs/dbraw/zinc/14/25/21/606142521.db2.gz JZJCZJGTENWELD-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cs1 ZINC000821590874 606142522 /nfs/dbraw/zinc/14/25/22/606142522.db2.gz JZJCZJGTENWELD-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CC(C)CCc1nc(Cn2cccc(-c3nn[n-]n3)c2=O)cs1 ZINC000820081310 606176861 /nfs/dbraw/zinc/17/68/61/606176861.db2.gz BFDPFZOSDKQUQK-UHFFFAOYSA-N -1 1 330.417 2.122 20 0 EEADMM CCc1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821505893 606296242 /nfs/dbraw/zinc/29/62/42/606296242.db2.gz UMBCJRZGXPJOAE-UHFFFAOYSA-N -1 1 330.373 2.152 20 0 EEADMM Clc1ccc(NCc2cccc3c2OCCO3)nc1-c1nnn[n-]1 ZINC000822578604 606467320 /nfs/dbraw/zinc/46/73/20/606467320.db2.gz LQCXOGHXPCBIPB-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Clc1ccc(NCc2cccc3c2OCCO3)nc1-c1nn[n-]n1 ZINC000822578604 606467321 /nfs/dbraw/zinc/46/73/21/606467321.db2.gz LQCXOGHXPCBIPB-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820299825 606530805 /nfs/dbraw/zinc/53/08/05/606530805.db2.gz LCRYRKLVARGEGW-SECBINFHSA-N -1 1 331.376 2.428 20 0 EEADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820299825 606530807 /nfs/dbraw/zinc/53/08/07/606530807.db2.gz LCRYRKLVARGEGW-SECBINFHSA-N -1 1 331.376 2.428 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820380520 606595367 /nfs/dbraw/zinc/59/53/67/606595367.db2.gz VRNRADJNNCDJBP-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820380520 606595369 /nfs/dbraw/zinc/59/53/69/606595369.db2.gz VRNRADJNNCDJBP-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822929139 606651286 /nfs/dbraw/zinc/65/12/86/606651286.db2.gz QFHHLYKKSUXLLO-SNAWJCMRSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822929139 606651287 /nfs/dbraw/zinc/65/12/87/606651287.db2.gz QFHHLYKKSUXLLO-SNAWJCMRSA-N -1 1 325.303 2.157 20 0 EEADMM Clc1cccc(Cl)c1OCCn1ccnc1-c1nnn[n-]1 ZINC000822586368 606655066 /nfs/dbraw/zinc/65/50/66/606655066.db2.gz WJTPEAKPTAIWRX-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Clc1cccc(Cl)c1OCCn1ccnc1-c1nn[n-]n1 ZINC000822586368 606655067 /nfs/dbraw/zinc/65/50/67/606655067.db2.gz WJTPEAKPTAIWRX-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820054605 606697598 /nfs/dbraw/zinc/69/75/98/606697598.db2.gz CGDHCWJWGUUFIB-LLVKDONJSA-N -1 1 333.392 2.352 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2n1CCCC2 ZINC000820455035 607026977 /nfs/dbraw/zinc/02/69/77/607026977.db2.gz BGKSKNAVQCNZCA-MRVPVSSYSA-N -1 1 345.798 2.016 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2n1CCCC2 ZINC000820455035 607026978 /nfs/dbraw/zinc/02/69/78/607026978.db2.gz BGKSKNAVQCNZCA-MRVPVSSYSA-N -1 1 345.798 2.016 20 0 EEADMM Cc1cccc([C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000822288927 607127762 /nfs/dbraw/zinc/12/77/62/607127762.db2.gz NJDYVIPRWAIHRT-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1cccc([C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000822288927 607127764 /nfs/dbraw/zinc/12/77/64/607127764.db2.gz NJDYVIPRWAIHRT-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821877602 607133250 /nfs/dbraw/zinc/13/32/50/607133250.db2.gz NHQCYPOFHYOLBQ-LLVKDONJSA-N -1 1 341.396 2.354 20 0 EEADMM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821877602 607133252 /nfs/dbraw/zinc/13/32/52/607133252.db2.gz NHQCYPOFHYOLBQ-LLVKDONJSA-N -1 1 341.396 2.354 20 0 EEADMM Clc1nsc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1-c1nnn[n-]1 ZINC000826353982 607821875 /nfs/dbraw/zinc/82/18/75/607821875.db2.gz LNOPVEYVBHIZDW-ZQARSLAVSA-N -1 1 338.824 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1-c1nn[n-]n1 ZINC000826353982 607821876 /nfs/dbraw/zinc/82/18/76/607821876.db2.gz LNOPVEYVBHIZDW-ZQARSLAVSA-N -1 1 338.824 2.346 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824457044 607830434 /nfs/dbraw/zinc/83/04/34/607830434.db2.gz CXRBRBWZOGUOOC-VIFPVBQESA-N -1 1 345.794 2.071 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824457044 607830435 /nfs/dbraw/zinc/83/04/35/607830435.db2.gz CXRBRBWZOGUOOC-VIFPVBQESA-N -1 1 345.794 2.071 20 0 EEADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824394310 608204042 /nfs/dbraw/zinc/20/40/42/608204042.db2.gz XGPNGPSEWGDNCD-QMMMGPOBSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824394310 608204044 /nfs/dbraw/zinc/20/40/44/608204044.db2.gz XGPNGPSEWGDNCD-QMMMGPOBSA-N -1 1 347.425 2.381 20 0 EEADMM CCOC(=O)CN(CC(C)C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825511689 608292553 /nfs/dbraw/zinc/29/25/53/608292553.db2.gz APLONFXOSJXECW-UHFFFAOYSA-N -1 1 344.828 2.002 20 0 EEADMM CCOC(=O)CN(CC(C)C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825511689 608292555 /nfs/dbraw/zinc/29/25/55/608292555.db2.gz APLONFXOSJXECW-UHFFFAOYSA-N -1 1 344.828 2.002 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824124282 608404439 /nfs/dbraw/zinc/40/44/39/608404439.db2.gz SFPGALBSNTVEEG-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824124282 608404440 /nfs/dbraw/zinc/40/44/40/608404440.db2.gz SFPGALBSNTVEEG-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582419 608428098 /nfs/dbraw/zinc/42/80/98/608428098.db2.gz KTQSPXPPQHCAJZ-KGLIPLIRSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582419 608428100 /nfs/dbraw/zinc/42/81/00/608428100.db2.gz KTQSPXPPQHCAJZ-KGLIPLIRSA-N -1 1 343.435 2.221 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC000824770877 608432891 /nfs/dbraw/zinc/43/28/91/608432891.db2.gz NRRUCHWNSQRPIX-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC000824770877 608432892 /nfs/dbraw/zinc/43/28/92/608432892.db2.gz NRRUCHWNSQRPIX-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM CCCOc1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825341715 608433993 /nfs/dbraw/zinc/43/39/93/608433993.db2.gz IUNBTLRTPIPVGP-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM CCCOc1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825341715 608433995 /nfs/dbraw/zinc/43/39/95/608433995.db2.gz IUNBTLRTPIPVGP-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520184 608438270 /nfs/dbraw/zinc/43/82/70/608438270.db2.gz BZJDGFWPJHWCPX-IUODEOHRSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520184 608438272 /nfs/dbraw/zinc/43/82/72/608438272.db2.gz BZJDGFWPJHWCPX-IUODEOHRSA-N -1 1 337.387 2.237 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000824358244 608663055 /nfs/dbraw/zinc/66/30/55/608663055.db2.gz DLOBOAZCWMCJHD-NSHDSACASA-N -1 1 329.364 2.303 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000824358244 608663056 /nfs/dbraw/zinc/66/30/56/608663056.db2.gz DLOBOAZCWMCJHD-NSHDSACASA-N -1 1 329.364 2.303 20 0 EEADMM CCOC(=O)C1(N(C)Cc2ccc(-c3nnn[n-]3)o2)CCCCC1 ZINC000825494264 608731763 /nfs/dbraw/zinc/73/17/63/608731763.db2.gz UWPRHDFNDZEWSM-UHFFFAOYSA-N -1 1 333.392 2.158 20 0 EEADMM Clc1ccc(N2CCC[C@@H]2C2CCOCC2)nc1-c1nnn[n-]1 ZINC000826352164 609169953 /nfs/dbraw/zinc/16/99/53/609169953.db2.gz QBOCGZBKUFTOOO-GFCCVEGCSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCC[C@@H]2C2CCOCC2)nc1-c1nn[n-]n1 ZINC000826352164 609169955 /nfs/dbraw/zinc/16/99/55/609169955.db2.gz QBOCGZBKUFTOOO-GFCCVEGCSA-N -1 1 334.811 2.311 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccc1 ZINC000826459062 609293709 /nfs/dbraw/zinc/29/37/09/609293709.db2.gz SYYQWHNTPHBOFN-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(COC(=O)CCc1cc(F)ccc1F)[N-]C(=O)c1ccccc1 ZINC000064037609 674730075 /nfs/dbraw/zinc/73/00/75/674730075.db2.gz XUQPDBCYRQZFLK-UHFFFAOYSA-N -1 1 347.317 2.397 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1 ZINC000970816855 676174160 /nfs/dbraw/zinc/17/41/60/676174160.db2.gz YIJZRVMMVORMPB-IUODEOHRSA-N -1 1 343.431 2.028 20 0 EEADMM CS(=O)(=O)C1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000804697835 675557387 /nfs/dbraw/zinc/55/73/87/675557387.db2.gz UIIASGLIVOFZSZ-UHFFFAOYSA-N -1 1 331.821 2.133 20 0 EEADMM COCc1nc(N(C)Cc2cc(OC)c(OC)cc2C)cc(=O)[n-]1 ZINC000891565898 676700812 /nfs/dbraw/zinc/70/08/12/676700812.db2.gz LJHMNVLQZIKYFK-UHFFFAOYSA-N -1 1 333.388 2.291 20 0 EEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc[nH]n2)cc1 ZINC000023141993 678786055 /nfs/dbraw/zinc/78/60/55/678786055.db2.gz STIOCJLKTWSKSP-UHFFFAOYSA-N -1 1 329.389 2.063 20 0 EEADMM O=C(NC[C@H]1CCCCN1Cc1cscn1)c1ncccc1[O-] ZINC001024407852 679891845 /nfs/dbraw/zinc/89/18/45/679891845.db2.gz RVPKPSKGUKAHDE-CYBMUJFWSA-N -1 1 332.429 2.028 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CC12CCC2 ZINC000984800224 685274975 /nfs/dbraw/zinc/27/49/75/685274975.db2.gz UOXZAGQJTIVRNR-MELADBBJSA-N -1 1 343.427 2.087 20 0 EEADMM CCn1c(CNC(=O)COc2ccc3c(c2)CCC3)n[n-]c1=S ZINC000066636912 681781201 /nfs/dbraw/zinc/78/12/01/681781201.db2.gz QOVVBVQOEFPPMP-UHFFFAOYSA-N -1 1 332.429 2.144 20 0 EEADMM Cc1noc(CN[C@@H](C)C2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC001029053399 682812763 /nfs/dbraw/zinc/81/27/63/682812763.db2.gz IGNXVFCKPUQTCJ-LBPRGKRZSA-N -1 1 344.415 2.114 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC000992814614 683523051 /nfs/dbraw/zinc/52/30/51/683523051.db2.gz SMCLZYDRDRPSTA-YJYMSZOUSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2)C1=CCCC1 ZINC001025900606 683607599 /nfs/dbraw/zinc/60/75/99/683607599.db2.gz ZWYGOJBQTKWIKD-CABCVRRESA-N -1 1 341.411 2.055 20 0 EEADMM COc1ccc(OCCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000078776998 683722399 /nfs/dbraw/zinc/72/23/99/683722399.db2.gz HLUHCFQRRVCDJF-UHFFFAOYSA-N -1 1 345.399 2.019 20 0 EEADMM CN(C(=O)c1ccsc1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984106089 684108280 /nfs/dbraw/zinc/10/82/80/684108280.db2.gz OHJFZTBQFDGNOC-CYBMUJFWSA-N -1 1 345.424 2.226 20 0 EEADMM O=C(N[C@H](CCO)C(F)(F)F)c1ccc2ccc(O)cc2c1[O-] ZINC000899783521 693865741 /nfs/dbraw/zinc/86/57/41/693865741.db2.gz YYAODAIGLPVEFJ-GFCCVEGCSA-N -1 1 329.274 2.294 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)[C@H]1C[C@@H]1C ZINC000936411595 684645288 /nfs/dbraw/zinc/64/52/88/684645288.db2.gz NZXLIYRGHFYPLK-ZFWWWQNUSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(N[C@H]1C[C@@H](CNC(=O)C2CCC=CCC2)C1)c1ncccc1[O-] ZINC000978841559 693940292 /nfs/dbraw/zinc/94/02/92/693940292.db2.gz JLKYVMHFTCYXIS-OTVXOJSOSA-N -1 1 343.427 2.158 20 0 EEADMM CCC[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514581 686264313 /nfs/dbraw/zinc/26/43/13/686264313.db2.gz GMKIOFFHWAOIDU-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM COCc1nc(NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc(=O)[n-]1 ZINC000893461796 688162538 /nfs/dbraw/zinc/16/25/38/688162538.db2.gz SSIVGCCEQNQJIW-FZKQIMNGSA-N -1 1 331.416 2.370 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)C2(C)CCC2)CC1 ZINC000986956650 689120616 /nfs/dbraw/zinc/12/06/16/689120616.db2.gz MNIGWHBYAXPRGP-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM COc1cc(CNCc2cnn(C)c2C(=O)[O-])ccc1OC(F)F ZINC000904068154 694281194 /nfs/dbraw/zinc/28/11/94/694281194.db2.gz BKUKOTQBVBVSNE-UHFFFAOYSA-N -1 1 341.314 2.018 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000866960718 689678257 /nfs/dbraw/zinc/67/82/57/689678257.db2.gz QPWNHJGBKZXQQB-PBHICJAKSA-N -1 1 349.814 2.189 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000866960721 689681073 /nfs/dbraw/zinc/68/10/73/689681073.db2.gz QPWNHJGBKZXQQB-YOEHRIQHSA-N -1 1 349.814 2.189 20 0 EEADMM C[C@H]1C[C@@H](C(=O)[O-])CN(CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000263377970 689753520 /nfs/dbraw/zinc/75/35/20/689753520.db2.gz WVAMMVQLQOWSSD-VHSXEESVSA-N -1 1 328.771 2.460 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)[C@H]1CC=CCC1 ZINC000987930491 690177835 /nfs/dbraw/zinc/17/78/35/690177835.db2.gz OAYIKFHZLLMBDY-GJZGRUSLSA-N -1 1 343.427 2.064 20 0 EEADMM C[C@H](C(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000988491344 690748160 /nfs/dbraw/zinc/74/81/60/690748160.db2.gz JMEQBEWOWKEBKJ-ZDUSSCGKSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCCC1 ZINC000937738608 690936207 /nfs/dbraw/zinc/93/62/07/690936207.db2.gz UMCVTRVUEFWPLQ-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC[S@@]1=O ZINC000897566081 691626328 /nfs/dbraw/zinc/62/63/28/691626328.db2.gz FRAMLVCJRNXJIA-BGJPBQGDSA-N -1 1 333.409 2.234 20 0 EEADMM CCc1c([N-]C(=O)c2nc(OC)cc(OC)n2)onc1C(F)(F)F ZINC000898035179 691857238 /nfs/dbraw/zinc/85/72/38/691857238.db2.gz NPYOQWFDJOGZPG-UHFFFAOYSA-N -1 1 346.265 2.315 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])o1 ZINC000323305256 692659603 /nfs/dbraw/zinc/65/96/03/692659603.db2.gz CXILFBZUYNWGSE-JTQLQIEISA-N -1 1 336.310 2.257 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)C[C@@H]1C=CCCC1)C(=O)c1ncccc1[O-] ZINC000977598160 692833088 /nfs/dbraw/zinc/83/30/88/692833088.db2.gz GXBOYCNRAVKOAB-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)c4ncccc4[O-])CCC[C@@H]23)on1 ZINC000990352357 692839439 /nfs/dbraw/zinc/83/94/39/692839439.db2.gz GHTXDGIFXRHLTK-QAPCUYQASA-N -1 1 342.399 2.011 20 0 EEADMM O=C(N[C@]12CCC[C@@H]1N(Cc1cscn1)CC2)c1ncccc1[O-] ZINC000990400197 692876947 /nfs/dbraw/zinc/87/69/47/692876947.db2.gz SEOVOQZGRCWTQU-YOEHRIQHSA-N -1 1 344.440 2.171 20 0 EEADMM O=C(NCC1[C@H]2CN(C/C(Cl)=C\Cl)C[C@@H]12)c1ncccc1[O-] ZINC000978063397 693267145 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/nfs/dbraw/zinc/94/66/23/1351946623.db2.gz HASOIEFWIGHPGD-FPLPWBNLSA-N -1 1 342.334 2.379 20 0 EEADMM CSc1cccc(F)c1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609372926 1351950635 /nfs/dbraw/zinc/95/06/35/1351950635.db2.gz CUURPRJLWYHIAT-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1cccc(F)c1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609372926 1351950637 /nfs/dbraw/zinc/95/06/37/1351950637.db2.gz CUURPRJLWYHIAT-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM Cc1c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cnn1CC(C)C ZINC001609385276 1351954620 /nfs/dbraw/zinc/95/46/20/1351954620.db2.gz AKELAMIVYUBPJZ-UHFFFAOYSA-N -1 1 343.366 2.419 20 0 EEADMM Cc1c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cnn1CC(C)C ZINC001609385276 1351954622 /nfs/dbraw/zinc/95/46/22/1351954622.db2.gz AKELAMIVYUBPJZ-UHFFFAOYSA-N -1 1 343.366 2.419 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC001609391423 1351956814 /nfs/dbraw/zinc/95/68/14/1351956814.db2.gz IPCPOWVMQMRUNR-CQSZACIVSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC001609391423 1351956817 /nfs/dbraw/zinc/95/68/17/1351956817.db2.gz IPCPOWVMQMRUNR-CQSZACIVSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 ZINC001609392782 1351957954 /nfs/dbraw/zinc/95/79/54/1351957954.db2.gz FRYKZWQXCYQBJQ-AULYBMBSSA-N -1 1 325.351 2.462 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](c3ccc(F)cc3)C2)n1 ZINC001609392782 1351957955 /nfs/dbraw/zinc/95/79/55/1351957955.db2.gz FRYKZWQXCYQBJQ-AULYBMBSSA-N -1 1 325.351 2.462 20 0 EEADMM Cc1ccc(NC[C@H](O)c2ccccc2Cl)nc1-c1nnn[n-]1 ZINC001609426295 1351972321 /nfs/dbraw/zinc/97/23/21/1351972321.db2.gz MJCAQTDRUJUMQK-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccc(NC[C@H](O)c2ccccc2Cl)nc1-c1nn[n-]n1 ZINC001609426295 1351972322 /nfs/dbraw/zinc/97/23/22/1351972322.db2.gz MJCAQTDRUJUMQK-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(Cc1ccccn1)C(C)C ZINC001609466502 1351988883 /nfs/dbraw/zinc/98/88/83/1351988883.db2.gz CGGKDWHNUKKTHI-UHFFFAOYSA-N -1 1 326.360 2.214 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccccn1)C(C)C ZINC001609466502 1351988886 /nfs/dbraw/zinc/98/88/86/1351988886.db2.gz CGGKDWHNUKKTHI-UHFFFAOYSA-N -1 1 326.360 2.214 20 0 EEADMM Clc1nsc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001609474818 1351991716 /nfs/dbraw/zinc/99/17/16/1351991716.db2.gz VJSTUVCYWYPEKI-ZANVPECISA-N -1 1 338.824 2.124 20 0 EEADMM Clc1nsc(N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001609474818 1351991718 /nfs/dbraw/zinc/99/17/18/1351991718.db2.gz VJSTUVCYWYPEKI-ZANVPECISA-N -1 1 338.824 2.124 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC001609490415 1351996023 /nfs/dbraw/zinc/99/60/23/1351996023.db2.gz TXTAXWUPDAQMBW-GDBMZVCRSA-N -1 1 340.362 2.155 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC001609490415 1351996024 /nfs/dbraw/zinc/99/60/24/1351996024.db2.gz TXTAXWUPDAQMBW-GDBMZVCRSA-N -1 1 340.362 2.155 20 0 EEADMM NC(=O)c1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2Cl)cc1 ZINC001609505215 1352000485 /nfs/dbraw/zinc/00/04/85/1352000485.db2.gz SBAYCVZSINOSLO-UHFFFAOYSA-N -1 1 346.753 2.370 20 0 EEADMM NC(=O)c1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2Cl)cc1 ZINC001609505215 1352000489 /nfs/dbraw/zinc/00/04/89/1352000489.db2.gz SBAYCVZSINOSLO-UHFFFAOYSA-N -1 1 346.753 2.370 20 0 EEADMM O=C(NCCCOc1cccc(F)c1-c1nnn[n-]1)C1CCCC1 ZINC001609548326 1352012725 /nfs/dbraw/zinc/01/27/25/1352012725.db2.gz CJHBYUWVWLJVBP-UHFFFAOYSA-N -1 1 333.367 2.081 20 0 EEADMM O=C(NCCCOc1cccc(F)c1-c1nn[n-]n1)C1CCCC1 ZINC001609548326 1352012731 /nfs/dbraw/zinc/01/27/31/1352012731.db2.gz CJHBYUWVWLJVBP-UHFFFAOYSA-N -1 1 333.367 2.081 20 0 EEADMM O=C(Nc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1)C1CCC1 ZINC001609566863 1352018750 /nfs/dbraw/zinc/01/87/50/1352018750.db2.gz ILVHZOHUYQJYQR-UHFFFAOYSA-N -1 1 349.398 2.034 20 0 EEADMM O=C(Nc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1)C1CCC1 ZINC001609566863 1352018752 /nfs/dbraw/zinc/01/87/52/1352018752.db2.gz ILVHZOHUYQJYQR-UHFFFAOYSA-N -1 1 349.398 2.034 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC=C(c2ccc(O)cc2)CC1 ZINC001609581376 1352026605 /nfs/dbraw/zinc/02/66/05/1352026605.db2.gz BLWGZBSVWKISMN-UHFFFAOYSA-N -1 1 337.339 2.095 20 0 EEADMM O=C(OCc1ccc(F)c(Cl)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609576787 1352023456 /nfs/dbraw/zinc/02/34/56/1352023456.db2.gz ULUOGXSTKNMKSD-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(F)c(Cl)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609576787 1352023460 /nfs/dbraw/zinc/02/34/60/1352023460.db2.gz ULUOGXSTKNMKSD-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O[C@@]1(CNc2cccc(-c3nnn[n-]3)n2)CCC[C@H](C(F)(F)F)C1 ZINC001609607407 1352034605 /nfs/dbraw/zinc/03/46/05/1352034605.db2.gz AGFRPDTWSJOIJU-ZANVPECISA-N -1 1 342.325 2.157 20 0 EEADMM O[C@@]1(CNc2cccc(-c3nn[n-]n3)n2)CCC[C@H](C(F)(F)F)C1 ZINC001609607407 1352034608 /nfs/dbraw/zinc/03/46/08/1352034608.db2.gz AGFRPDTWSJOIJU-ZANVPECISA-N -1 1 342.325 2.157 20 0 EEADMM O=C(c1ccc(Cn2cccc2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001333428808 1336044256 /nfs/dbraw/zinc/04/42/56/1336044256.db2.gz BDVMCFHKBMQHLQ-UHFFFAOYSA-N -1 1 336.399 2.069 20 0 EEADMM c1ccc(COC2CCN(c3cccnc3-c3nnn[n-]3)CC2)cc1 ZINC001609617512 1352040469 /nfs/dbraw/zinc/04/04/69/1352040469.db2.gz YNPVLSQMKJDLBM-UHFFFAOYSA-N -1 1 336.399 2.447 20 0 EEADMM c1ccc(COC2CCN(c3cccnc3-c3nn[n-]n3)CC2)cc1 ZINC001609617512 1352040472 /nfs/dbraw/zinc/04/04/72/1352040472.db2.gz YNPVLSQMKJDLBM-UHFFFAOYSA-N -1 1 336.399 2.447 20 0 EEADMM CC(=O)c1ccccc1OCCN1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001609630532 1352045867 /nfs/dbraw/zinc/04/58/67/1352045867.db2.gz PNORQTHREUJNSQ-VFAJRCTISA-N -1 1 347.411 2.363 20 0 EEADMM C[C@@H](C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609642862 1352048636 /nfs/dbraw/zinc/04/86/36/1352048636.db2.gz FYDMWRPGFNLAOB-XCBNKYQSSA-N -1 1 330.262 2.252 20 0 EEADMM CC(C)[C@H](NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC001609716175 1352066818 /nfs/dbraw/zinc/06/68/18/1352066818.db2.gz YPQOEPAYXZWPHW-AEFFLSMTSA-N -1 1 330.428 2.364 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC001609774619 1352082241 /nfs/dbraw/zinc/08/22/41/1352082241.db2.gz KPKAAVXLZQYMRG-WBMJQRKESA-N -1 1 330.359 2.438 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1nnc(-c2c[n-][nH]c2=O)n1C)CC3 ZINC001338471951 1336865760 /nfs/dbraw/zinc/86/57/60/1336865760.db2.gz UKFHOYURQMHFCW-UHFFFAOYSA-N -1 1 349.398 2.263 20 0 EEADMM Cc1occc1CN(C)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001338623862 1336884573 /nfs/dbraw/zinc/88/45/73/1336884573.db2.gz QZZNNMLIUTXEDP-UHFFFAOYSA-N -1 1 340.387 2.393 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)O1 ZINC001609828308 1352095244 /nfs/dbraw/zinc/09/52/44/1352095244.db2.gz GPDATTXNZWVPEE-DJJJIMSYSA-N -1 1 343.379 2.244 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)O1 ZINC001609828465 1352095468 /nfs/dbraw/zinc/09/54/68/1352095468.db2.gz GPDATTXNZWVPEE-YJYMSZOUSA-N -1 1 343.379 2.244 20 0 EEADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001609835150 1352097272 /nfs/dbraw/zinc/09/72/72/1352097272.db2.gz JCLJCBBSTALDCB-DTWKUNHWSA-N -1 1 327.331 2.219 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N(C)Cc1ccc2ccccc2c1 ZINC001339381861 1336995798 /nfs/dbraw/zinc/99/57/98/1336995798.db2.gz SKSFVMXJLLXEDG-UHFFFAOYSA-N -1 1 348.414 2.192 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N(C)Cc1ccc2ccccc2c1 ZINC001339381861 1336995801 /nfs/dbraw/zinc/99/58/01/1336995801.db2.gz SKSFVMXJLLXEDG-UHFFFAOYSA-N -1 1 348.414 2.192 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1CCN1CCc2ccccc21 ZINC001609854929 1352103270 /nfs/dbraw/zinc/10/32/70/1352103270.db2.gz WSEFJNBUYWRSHU-NKGKWGDASA-N -1 1 330.428 2.144 20 0 EEADMM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)c2nn[n-]n2)s1 ZINC001339648351 1337043898 /nfs/dbraw/zinc/04/38/98/1337043898.db2.gz ZSYSTJQYXDPQTJ-UHFFFAOYSA-N -1 1 328.401 2.146 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cccc(Cl)c1 ZINC001609866687 1352106580 /nfs/dbraw/zinc/10/65/80/1352106580.db2.gz FEZREXXHACOAFV-CYBMUJFWSA-N -1 1 338.835 2.280 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccc2ccccc2c1 ZINC001609866858 1352106752 /nfs/dbraw/zinc/10/67/52/1352106752.db2.gz GPOWHIMPROXRKM-HNNXBMFYSA-N -1 1 340.423 2.390 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC001609870481 1352108177 /nfs/dbraw/zinc/10/81/77/1352108177.db2.gz IPNPQCOMKDDNMQ-SNVBAGLBSA-N -1 1 343.786 2.492 20 0 EEADMM C[C@@H](OC1CCCCC1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC001343965310 1337359817 /nfs/dbraw/zinc/35/98/17/1337359817.db2.gz DDEBBCKAZJPDJF-SNVBAGLBSA-N -1 1 325.327 2.336 20 0 EEADMM CCCN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC001609972451 1352133260 /nfs/dbraw/zinc/13/32/60/1352133260.db2.gz CQDFQJQLLXQJPE-INIZCTEOSA-N -1 1 333.432 2.053 20 0 EEADMM CCc1cc(=NS(=O)(=O)c2ccc(C(=O)[O-])o2)c2ccccc2[nH]1 ZINC001610059274 1352151965 /nfs/dbraw/zinc/15/19/65/1352151965.db2.gz OLSSKAMQQHGFDI-UHFFFAOYSA-N -1 1 346.364 2.311 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC001610097274 1352161222 /nfs/dbraw/zinc/16/12/22/1352161222.db2.gz GFJCQPBLOQOJNA-MLGOLLRUSA-N -1 1 339.461 2.247 20 0 EEADMM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@@H]1CCC(C)(C)C1 ZINC001610110126 1352164102 /nfs/dbraw/zinc/16/41/02/1352164102.db2.gz GDRUBMUDIHFYDE-LLVKDONJSA-N -1 1 325.434 2.219 20 0 EEADMM CCO/C=C\[C@@](O)(CNC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000848175873 1338552167 /nfs/dbraw/zinc/55/21/67/1338552167.db2.gz AGGWCBAUHDEPIH-CFHLNLSMSA-N -1 1 337.269 2.105 20 0 EEADMM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)ccc2cncn21 ZINC001610406053 1352217481 /nfs/dbraw/zinc/21/74/81/1352217481.db2.gz DIHNEQIUPGUANJ-SFHVURJKSA-N -1 1 338.367 2.158 20 0 EEADMM Cc1ccc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000848714128 1338745187 /nfs/dbraw/zinc/74/51/87/1338745187.db2.gz GWSVPKFHKREVCN-UHFFFAOYSA-N -1 1 326.356 2.041 20 0 EEADMM NC(=O)c1n[nH]c2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc21 ZINC001610642907 1352257113 /nfs/dbraw/zinc/25/71/13/1352257113.db2.gz YPGNSBSOGQNZON-UHFFFAOYSA-N -1 1 344.371 2.026 20 0 EEADMM O=C([O-])[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1F ZINC001610717878 1352263994 /nfs/dbraw/zinc/26/39/94/1352263994.db2.gz KCAGZUXJQVWODL-CABCVRRESA-N -1 1 326.331 2.449 20 0 EEADMM C[C@@H](CC(=O)N(C)CCNC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001429225836 1339841759 /nfs/dbraw/zinc/84/17/59/1339841759.db2.gz MFBOKSHOLJYKRU-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)nnn1-c1ccc(F)c(Cl)c1 ZINC001611380786 1352300125 /nfs/dbraw/zinc/30/01/25/1352300125.db2.gz XHIBKYZCXXKAAZ-UHFFFAOYSA-N -1 1 336.714 2.049 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(F)cc1)NC(=O)c1ncccc1[O-] ZINC001431183298 1340492760 /nfs/dbraw/zinc/49/27/60/1340492760.db2.gz ISJHILRZBWEWLM-CQSZACIVSA-N -1 1 345.374 2.111 20 0 EEADMM CCCC[C@H](C(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001432222362 1341239835 /nfs/dbraw/zinc/23/98/35/1341239835.db2.gz TVPHSTLPFTUWLB-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC1(C(=O)N2CC[C@H](N(CC)C(=O)c3ncccc3[O-])C2)CC1 ZINC001432530206 1341317914 /nfs/dbraw/zinc/31/79/14/1341317914.db2.gz BLCIVUJPAOGLMS-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CCC[C@@H](CC)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433088681 1341495024 /nfs/dbraw/zinc/49/50/24/1341495024.db2.gz IFQHVRCIYGDYIM-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c(O)c1)c1nc(=O)o[n-]1 ZINC001434121633 1341769216 /nfs/dbraw/zinc/76/92/16/1341769216.db2.gz XTJZQILQJNHCLO-SNVBAGLBSA-N -1 1 325.752 2.239 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cccc(-c2cnco2)c1 ZINC001557724166 1342453772 /nfs/dbraw/zinc/45/37/72/1342453772.db2.gz VEXCSPFPSMMGAX-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM CC1(C)Oc2ccc(NC(=O)c3coc(-c4nnn[n-]4)c3)cc2O1 ZINC001575753130 1343870477 /nfs/dbraw/zinc/87/04/77/1343870477.db2.gz XDYLTOATPPQCFU-UHFFFAOYSA-N -1 1 327.300 2.219 20 0 EEADMM CC1(C)Oc2ccc(NC(=O)c3coc(-c4nn[n-]n4)c3)cc2O1 ZINC001575753130 1343870478 /nfs/dbraw/zinc/87/04/78/1343870478.db2.gz XDYLTOATPPQCFU-UHFFFAOYSA-N -1 1 327.300 2.219 20 0 EEADMM CN(Cc1ccccc1F)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579262354 1344360250 /nfs/dbraw/zinc/36/02/50/1344360250.db2.gz IGIGXAUVTRUYSY-UHFFFAOYSA-N -1 1 327.323 2.065 20 0 EEADMM CN(Cc1ccccc1F)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579262354 1344360253 /nfs/dbraw/zinc/36/02/53/1344360253.db2.gz IGIGXAUVTRUYSY-UHFFFAOYSA-N -1 1 327.323 2.065 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nnn[n-]2)c2cc(F)ccc21 ZINC001579375398 1344376981 /nfs/dbraw/zinc/37/69/81/1344376981.db2.gz YVXXWGSJBSMBPN-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nn[n-]n2)c2cc(F)ccc21 ZINC001579375398 1344376984 /nfs/dbraw/zinc/37/69/84/1344376984.db2.gz YVXXWGSJBSMBPN-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001580082794 1344468408 /nfs/dbraw/zinc/46/84/08/1344468408.db2.gz DBZKJPXJODRMRD-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001580082794 1344468409 /nfs/dbraw/zinc/46/84/09/1344468409.db2.gz DBZKJPXJODRMRD-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CCCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC001580136157 1344478939 /nfs/dbraw/zinc/47/89/39/1344478939.db2.gz NPHCYGNBDPIRIJ-SNVBAGLBSA-N -1 1 345.407 2.361 20 0 EEADMM CSc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)o1 ZINC001580230379 1344494998 /nfs/dbraw/zinc/49/49/98/1344494998.db2.gz CKAWPVJBCLUJNS-UHFFFAOYSA-N -1 1 330.373 2.162 20 0 EEADMM CSc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)o1 ZINC001580230379 1344495002 /nfs/dbraw/zinc/49/50/02/1344495002.db2.gz CKAWPVJBCLUJNS-UHFFFAOYSA-N -1 1 330.373 2.162 20 0 EEADMM Cc1ccc(-n2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC001581137427 1344591724 /nfs/dbraw/zinc/59/17/24/1344591724.db2.gz GKHNQEJGAVUHGQ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccc(-n2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC001581137427 1344591729 /nfs/dbraw/zinc/59/17/29/1344591729.db2.gz GKHNQEJGAVUHGQ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581258288 1344608512 /nfs/dbraw/zinc/60/85/12/1344608512.db2.gz HLNAWJVKFXZHOL-CYBMUJFWSA-N -1 1 336.399 2.065 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581258288 1344608515 /nfs/dbraw/zinc/60/85/15/1344608515.db2.gz HLNAWJVKFXZHOL-CYBMUJFWSA-N -1 1 336.399 2.065 20 0 EEADMM Cc1ccoc1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001581299696 1344615871 /nfs/dbraw/zinc/61/58/71/1344615871.db2.gz HSHJRGIHDSAQRC-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1ccoc1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001581299696 1344615875 /nfs/dbraw/zinc/61/58/75/1344615875.db2.gz HSHJRGIHDSAQRC-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1nc([C@@H]2CCCN2Cc2nc(-c3nnn[n-]3)cs2)[nH]c1C ZINC001581445669 1344626908 /nfs/dbraw/zinc/62/69/08/1344626908.db2.gz ALXXJGAZRALALC-NSHDSACASA-N -1 1 330.421 2.000 20 0 EEADMM Cc1nc([C@@H]2CCCN2Cc2nc(-c3nn[n-]n3)cs2)[nH]c1C ZINC001581445669 1344626916 /nfs/dbraw/zinc/62/69/16/1344626916.db2.gz ALXXJGAZRALALC-NSHDSACASA-N -1 1 330.421 2.000 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)C2CCCCCC2)c1-c1nnn[n-]1 ZINC001581739368 1344659172 /nfs/dbraw/zinc/65/91/72/1344659172.db2.gz IYRBIGMVPXOZHM-SNVBAGLBSA-N -1 1 332.408 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)C2CCCCCC2)c1-c1nn[n-]n1 ZINC001581739368 1344659175 /nfs/dbraw/zinc/65/91/75/1344659175.db2.gz IYRBIGMVPXOZHM-SNVBAGLBSA-N -1 1 332.408 2.181 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1Cc1cccc(F)c1 ZINC001582805905 1344794191 /nfs/dbraw/zinc/79/41/91/1344794191.db2.gz BNZNPZBTAPUDGM-UHFFFAOYSA-N -1 1 339.252 2.235 20 0 EEADMM CC(=O)Oc1ccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001588888547 1348940917 /nfs/dbraw/zinc/94/09/17/1348940917.db2.gz YGVBBNJMNRJMEN-UHFFFAOYSA-N -1 1 342.311 2.050 20 0 EEADMM CC(=O)Oc1ccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001588888547 1348940919 /nfs/dbraw/zinc/94/09/19/1348940919.db2.gz YGVBBNJMNRJMEN-UHFFFAOYSA-N -1 1 342.311 2.050 20 0 EEADMM CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001588882687 1348941174 /nfs/dbraw/zinc/94/11/74/1348941174.db2.gz PXEUHPLJIYFKQO-VIFPVBQESA-N -1 1 341.327 2.336 20 0 EEADMM C[C@@H](C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccco1 ZINC001588998167 1348952607 /nfs/dbraw/zinc/95/26/07/1348952607.db2.gz OWGXLXVISCOEES-MRVPVSSYSA-N -1 1 333.298 2.158 20 0 EEADMM C[C@@H](C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccco1 ZINC001588998167 1348952610 /nfs/dbraw/zinc/95/26/10/1348952610.db2.gz OWGXLXVISCOEES-MRVPVSSYSA-N -1 1 333.298 2.158 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589197375 1348968424 /nfs/dbraw/zinc/96/84/24/1348968424.db2.gz LOBSAVMGXQVWIF-JTQLQIEISA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589197375 1348968426 /nfs/dbraw/zinc/96/84/26/1348968426.db2.gz LOBSAVMGXQVWIF-JTQLQIEISA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC23CCCC3)n1 ZINC001589249737 1348975051 /nfs/dbraw/zinc/97/50/51/1348975051.db2.gz XQGAZCRINPTZPJ-NSHDSACASA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC23CCCC3)n1 ZINC001589249737 1348975054 /nfs/dbraw/zinc/97/50/54/1348975054.db2.gz XQGAZCRINPTZPJ-NSHDSACASA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001589317210 1348983308 /nfs/dbraw/zinc/98/33/08/1348983308.db2.gz JUVLLLNQOLRYEP-UHFFFAOYSA-N -1 1 341.350 2.458 20 0 EEADMM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001589317210 1348983311 /nfs/dbraw/zinc/98/33/11/1348983311.db2.gz JUVLLLNQOLRYEP-UHFFFAOYSA-N -1 1 341.350 2.458 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001589758144 1349031798 /nfs/dbraw/zinc/03/17/98/1349031798.db2.gz RGSNLALQMLFIBE-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001589758144 1349031800 /nfs/dbraw/zinc/03/18/00/1349031800.db2.gz RGSNLALQMLFIBE-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)c1ccc(OCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001589770555 1349034871 /nfs/dbraw/zinc/03/48/71/1349034871.db2.gz XNOLDDZJROWPKW-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccc(OCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001589770555 1349034878 /nfs/dbraw/zinc/03/48/78/1349034878.db2.gz XNOLDDZJROWPKW-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@@H](COCC(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001589885948 1349055301 /nfs/dbraw/zinc/05/53/01/1349055301.db2.gz YOWCRYVXQSTNGE-LBPRGKRZSA-N -1 1 342.355 2.323 20 0 EEADMM C[C@@H](COCC(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001589885948 1349055304 /nfs/dbraw/zinc/05/53/04/1349055304.db2.gz YOWCRYVXQSTNGE-LBPRGKRZSA-N -1 1 342.355 2.323 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2ncncc2-c2nn[n-]n2)n1 ZINC001590048502 1349130102 /nfs/dbraw/zinc/13/01/02/1349130102.db2.gz AIPNJIFFIDZSIE-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@]1(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCCS1 ZINC001590131803 1349168604 /nfs/dbraw/zinc/16/86/04/1349168604.db2.gz NTHDAEIAHAVUOK-INIZCTEOSA-N -1 1 342.428 2.364 20 0 EEADMM CCC(C)(C)OCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590378665 1349293111 /nfs/dbraw/zinc/29/31/11/1349293111.db2.gz HFLXEJZBPVRETL-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CCC(C)(C)OCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590378665 1349293116 /nfs/dbraw/zinc/29/31/16/1349293116.db2.gz HFLXEJZBPVRETL-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590406353 1349308022 /nfs/dbraw/zinc/30/80/22/1349308022.db2.gz MEWHPZHYALTHNO-UWVGGRQHSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](C)CN(CC)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590411412 1349312075 /nfs/dbraw/zinc/31/20/75/1349312075.db2.gz XMFIIIBEAMXIHP-JTQLQIEISA-N -1 1 343.478 2.126 20 0 EEADMM CC[C@](NCc1ccc(-c2nnn[n-]2)o1)(C(=O)OC)c1ccccc1 ZINC001590466871 1349341795 /nfs/dbraw/zinc/34/17/95/1349341795.db2.gz POHUUFIEMGNASD-QGZVFWFLSA-N -1 1 341.371 2.028 20 0 EEADMM CC[C@](NCc1ccc(-c2nn[n-]n2)o1)(C(=O)OC)c1ccccc1 ZINC001590466871 1349341804 /nfs/dbraw/zinc/34/18/04/1349341804.db2.gz POHUUFIEMGNASD-QGZVFWFLSA-N -1 1 341.371 2.028 20 0 EEADMM CCC1(CC)CCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001590491343 1349355034 /nfs/dbraw/zinc/35/50/34/1349355034.db2.gz SZZXHSVEJGGFDC-UHFFFAOYSA-N -1 1 345.407 2.314 20 0 EEADMM CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ncccc1[O-] ZINC001590631257 1349381055 /nfs/dbraw/zinc/38/10/55/1349381055.db2.gz DFJGDTZCNCEYEX-UHFFFAOYSA-N -1 1 338.371 2.020 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001591034951 1349433442 /nfs/dbraw/zinc/43/34/42/1349433442.db2.gz UCLDLQOCZYVQFV-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001591034951 1349433454 /nfs/dbraw/zinc/43/34/54/1349433454.db2.gz UCLDLQOCZYVQFV-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nnn[n-]2)oc1C ZINC001591288841 1349456232 /nfs/dbraw/zinc/45/62/32/1349456232.db2.gz KLHFGHOFNLKPNH-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nn[n-]n2)oc1C ZINC001591288841 1349456244 /nfs/dbraw/zinc/45/62/44/1349456244.db2.gz KLHFGHOFNLKPNH-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM COCCOc1ccc(Sc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001591445979 1349485230 /nfs/dbraw/zinc/48/52/30/1349485230.db2.gz UVYYIVBNPNXNTD-UHFFFAOYSA-N -1 1 344.400 2.142 20 0 EEADMM COCCOc1ccc(Sc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001591445979 1349485233 /nfs/dbraw/zinc/48/52/33/1349485233.db2.gz UVYYIVBNPNXNTD-UHFFFAOYSA-N -1 1 344.400 2.142 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C2CC2)c1-c1nn[n-]n1 ZINC001591716765 1349533984 /nfs/dbraw/zinc/53/39/84/1349533984.db2.gz AUONOWWPASXFEG-MRVPVSSYSA-N -1 1 344.444 2.389 20 0 EEADMM Cc1cc(NC[C@H]2CCC[C@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592044726 1349586894 /nfs/dbraw/zinc/58/68/94/1349586894.db2.gz RIRCOXLGKAAWBG-MWLCHTKSSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cc(NC[C@H]2CCC[C@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592044726 1349586898 /nfs/dbraw/zinc/58/68/98/1349586898.db2.gz RIRCOXLGKAAWBG-MWLCHTKSSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)nc1-c1nnn[n-]1 ZINC001592174333 1349601355 /nfs/dbraw/zinc/60/13/55/1349601355.db2.gz AVLAIIOURKNYJH-UWVGGRQHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001592174333 1349601363 /nfs/dbraw/zinc/60/13/63/1349601363.db2.gz AVLAIIOURKNYJH-UWVGGRQHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1nc(CCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cs1 ZINC001592358810 1349623981 /nfs/dbraw/zinc/62/39/81/1349623981.db2.gz DOKPZXZQNNWSBX-UHFFFAOYSA-N -1 1 335.418 2.050 20 0 EEADMM Cc1nc(CCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cs1 ZINC001592358810 1349623982 /nfs/dbraw/zinc/62/39/82/1349623982.db2.gz DOKPZXZQNNWSBX-UHFFFAOYSA-N -1 1 335.418 2.050 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2cccs2)c1-c1nnn[n-]1 ZINC001592468810 1349634775 /nfs/dbraw/zinc/63/47/75/1349634775.db2.gz RLFTUWKNSDESJW-ZETCQYMHSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC001592468810 1349634776 /nfs/dbraw/zinc/63/47/76/1349634776.db2.gz RLFTUWKNSDESJW-ZETCQYMHSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(NC[C@H]2COC3(CCCCC3)O2)c1-c1nn[n-]n1 ZINC001592489536 1349636752 /nfs/dbraw/zinc/63/67/52/1349636752.db2.gz YWXUPQNZLKMANH-JTQLQIEISA-N -1 1 336.421 2.119 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nccn1Cc1ccccc1 ZINC001592501008 1349638140 /nfs/dbraw/zinc/63/81/40/1349638140.db2.gz GTFPKVMRFJZQDM-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nccn1Cc1ccccc1 ZINC001592501008 1349638141 /nfs/dbraw/zinc/63/81/41/1349638141.db2.gz GTFPKVMRFJZQDM-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1csc(C2CC2)n1 ZINC001592503790 1349640632 /nfs/dbraw/zinc/64/06/32/1349640632.db2.gz MPZLOKMEFJRMMW-UHFFFAOYSA-N -1 1 331.357 2.459 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1csc(C2CC2)n1 ZINC001592503790 1349640643 /nfs/dbraw/zinc/64/06/43/1349640643.db2.gz MPZLOKMEFJRMMW-UHFFFAOYSA-N -1 1 331.357 2.459 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1cnn(-c2ccccc2)c1 ZINC001592505196 1349643286 /nfs/dbraw/zinc/64/32/86/1349643286.db2.gz UGLSUHLAMRXATL-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1cnn(-c2ccccc2)c1 ZINC001592505196 1349643289 /nfs/dbraw/zinc/64/32/89/1349643289.db2.gz UGLSUHLAMRXATL-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Clc1nsc(N2CC[C@@H](Oc3ccncc3)C2)c1-c1nnn[n-]1 ZINC001592537499 1349651114 /nfs/dbraw/zinc/65/11/14/1349651114.db2.gz HLIPCOMGQMIYNB-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1nsc(N2CC[C@@H](Oc3ccncc3)C2)c1-c1nn[n-]n1 ZINC001592537499 1349651116 /nfs/dbraw/zinc/65/11/16/1349651116.db2.gz HLIPCOMGQMIYNB-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1ccccc1N1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592536512 1349651274 /nfs/dbraw/zinc/65/12/74/1349651274.db2.gz QWXQEBUPUNKJCK-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccccc1N1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592536512 1349651279 /nfs/dbraw/zinc/65/12/79/1349651279.db2.gz QWXQEBUPUNKJCK-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1nc(Sc2nc3c([nH]2)CCC3)sc1-c1nn[n-]n1 ZINC001592539719 1349653041 /nfs/dbraw/zinc/65/30/41/1349653041.db2.gz ZIYVUEAVUBPMIH-UHFFFAOYSA-N -1 1 325.810 2.340 20 0 EEADMM Clc1sc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC001592541663 1349653751 /nfs/dbraw/zinc/65/37/51/1349653751.db2.gz JDSGBAIZUNCXAV-SSDOTTSWSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1sc(N[C@@H]2CCC[C@]23CCCO3)nc1-c1nn[n-]n1 ZINC001592543090 1349654618 /nfs/dbraw/zinc/65/46/18/1349654618.db2.gz MRISELSWHVBWET-KRTXAFLBSA-N -1 1 326.813 2.490 20 0 EEADMM FC(F)(F)c1cc(NCCOCC2CC2)nc(-c2nnn[n-]2)c1 ZINC001592618055 1349673834 /nfs/dbraw/zinc/67/38/34/1349673834.db2.gz JAZVXFIYDADNBS-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cc(NCCOCC2CC2)nc(-c2nn[n-]n2)c1 ZINC001592618055 1349673836 /nfs/dbraw/zinc/67/38/36/1349673836.db2.gz JAZVXFIYDADNBS-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001592647503 1349692738 /nfs/dbraw/zinc/69/27/38/1349692738.db2.gz RURGJYXWEPIZJA-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592647503 1349692739 /nfs/dbraw/zinc/69/27/39/1349692739.db2.gz RURGJYXWEPIZJA-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)c(F)c1 ZINC001592649209 1349694598 /nfs/dbraw/zinc/69/45/98/1349694598.db2.gz YQAKOYTXCZRCHM-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1ccc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)c(F)c1 ZINC001592649209 1349694605 /nfs/dbraw/zinc/69/46/05/1349694605.db2.gz YQAKOYTXCZRCHM-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1cccc(C=C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001592654652 1349699004 /nfs/dbraw/zinc/69/90/04/1349699004.db2.gz KMBOFPYHGMXQGO-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1cccc(C=C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001592654652 1349699014 /nfs/dbraw/zinc/69/90/14/1349699014.db2.gz KMBOFPYHGMXQGO-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1cccc(OCCOc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC001592658478 1349702782 /nfs/dbraw/zinc/70/27/82/1349702782.db2.gz QEVHPCKEQIUGOT-UHFFFAOYSA-N -1 1 344.302 2.192 20 0 EEADMM Fc1cccc(OCCOc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC001592658478 1349702787 /nfs/dbraw/zinc/70/27/87/1349702787.db2.gz QEVHPCKEQIUGOT-UHFFFAOYSA-N -1 1 344.302 2.192 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001592940691 1349728164 /nfs/dbraw/zinc/72/81/64/1349728164.db2.gz UQNMYRVUKWUULP-DTORHVGOSA-N -1 1 328.298 2.001 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001592940691 1349728167 /nfs/dbraw/zinc/72/81/67/1349728167.db2.gz UQNMYRVUKWUULP-DTORHVGOSA-N -1 1 328.298 2.001 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)ccc1=O)c1csc2ccccc12 ZINC001592936252 1349728271 /nfs/dbraw/zinc/72/82/71/1349728271.db2.gz JKHLVWDHGZKDGH-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2cccc(F)c12 ZINC001593136525 1349739716 /nfs/dbraw/zinc/73/97/16/1349739716.db2.gz PSBUXNSDHDZRSQ-UHFFFAOYSA-N -1 1 342.359 2.479 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1COc2ccccc21 ZINC001593263613 1349755324 /nfs/dbraw/zinc/75/53/24/1349755324.db2.gz VKPWKTLPVGZXIN-ZETCQYMHSA-N -1 1 348.775 2.091 20 0 EEADMM O=C(O[C@H]1CCN(c2ccccc2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593281106 1349760454 /nfs/dbraw/zinc/76/04/54/1349760454.db2.gz QQOHPKIJZFGRLG-ZDUSSCGKSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(O[C@H]1CCN(c2ccccc2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593281106 1349760456 /nfs/dbraw/zinc/76/04/56/1349760456.db2.gz QQOHPKIJZFGRLG-ZDUSSCGKSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001593287592 1349764419 /nfs/dbraw/zinc/76/44/19/1349764419.db2.gz ZALQXXOXLLXUOH-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001593287592 1349764420 /nfs/dbraw/zinc/76/44/20/1349764420.db2.gz ZALQXXOXLLXUOH-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(Oc1cccc(C(F)(F)F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593308857 1349777304 /nfs/dbraw/zinc/77/73/04/1349777304.db2.gz OOTHXQUGKSFIHI-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(Oc1cccc(C(F)(F)F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593308857 1349777309 /nfs/dbraw/zinc/77/73/09/1349777309.db2.gz OOTHXQUGKSFIHI-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(Oc1ccc(-c2nnco2)cc1)c1sccc1-c1nn[n-]n1 ZINC001593309323 1349777686 /nfs/dbraw/zinc/77/76/86/1349777686.db2.gz XXTOLNUDEHLCPY-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC2(CCCC2)CC1 ZINC001593348484 1349788418 /nfs/dbraw/zinc/78/84/18/1349788418.db2.gz AXFIDXZGMPRFCZ-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC2(CCCC2)CC1 ZINC001593348484 1349788419 /nfs/dbraw/zinc/78/84/19/1349788419.db2.gz AXFIDXZGMPRFCZ-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CC[C@@H]1CCCCO1 ZINC001593492269 1349818539 /nfs/dbraw/zinc/81/85/39/1349818539.db2.gz FIEOEUNTSMHEII-VIFPVBQESA-N -1 1 343.309 2.006 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1cncc(-c2nnn[n-]2)n1 ZINC001593579878 1349861260 /nfs/dbraw/zinc/86/12/60/1349861260.db2.gz FYZPGLARTPZFNM-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1cncc(-c2nn[n-]n2)n1 ZINC001593579878 1349861264 /nfs/dbraw/zinc/86/12/64/1349861264.db2.gz FYZPGLARTPZFNM-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CNc1nnc([C@@H]2CCCO2)s1 ZINC001593596177 1349869809 /nfs/dbraw/zinc/86/98/09/1349869809.db2.gz OPPFKJVYZQYAAW-QMMMGPOBSA-N -1 1 335.418 2.243 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3ccccc3-n3cccc3)nc2n1 ZINC001595391743 1349885205 /nfs/dbraw/zinc/88/52/05/1349885205.db2.gz DYUDGWNPDKDUIV-UHFFFAOYSA-N -1 1 348.366 2.023 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-n2cncn2)n1 ZINC001595446567 1349886368 /nfs/dbraw/zinc/88/63/68/1349886368.db2.gz ZEUWHFQYYLGACS-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(=O)[nH]1 ZINC001600161402 1349982964 /nfs/dbraw/zinc/98/29/64/1349982964.db2.gz WVOODCPCIZNVLS-UHFFFAOYSA-N -1 1 340.339 2.160 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N2CCSC[C@H](C(=O)[O-])C2)c(C)c1 ZINC001600443843 1350053142 /nfs/dbraw/zinc/05/31/42/1350053142.db2.gz DLUFYKDLLPTECB-UONOGXRCSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1ccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc2c1 ZINC001600489258 1350063856 /nfs/dbraw/zinc/06/38/56/1350063856.db2.gz MCPUEMUDOHZLGU-ZDUSSCGKSA-N -1 1 329.400 2.097 20 0 EEADMM Cc1cccn2c(=O)cc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)nc12 ZINC001600589240 1350091396 /nfs/dbraw/zinc/09/13/96/1350091396.db2.gz YUMWOSDUIMWRLL-JYJNAYRXSA-N -1 1 341.411 2.078 20 0 EEADMM Cc1nc(-c2ccccc2)n(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC001600676650 1350114835 /nfs/dbraw/zinc/11/48/35/1350114835.db2.gz GXZGZUYALIHVKP-OAHLLOKOSA-N -1 1 326.400 2.398 20 0 EEADMM Cc1nn(C)c(Cl)c1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001600772564 1350133109 /nfs/dbraw/zinc/13/31/09/1350133109.db2.gz XLVSHZQGUSWPIG-UBHSHLNASA-N -1 1 341.839 2.226 20 0 EEADMM Cc1noc2ncc(CN3CCC(O)(C4(C(=O)[O-])CCC4)CC3)cc12 ZINC001600815872 1350143142 /nfs/dbraw/zinc/14/31/42/1350143142.db2.gz FYFQKAKMYCIUNL-UHFFFAOYSA-N -1 1 345.399 2.113 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC001600868598 1350156596 /nfs/dbraw/zinc/15/65/96/1350156596.db2.gz FMYPOTBGXJKZOI-HNNXBMFYSA-N -1 1 349.456 2.482 20 0 EEADMM Cc1sc(NC(=O)CN2CC[C@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001600886182 1350160331 /nfs/dbraw/zinc/16/03/31/1350160331.db2.gz PCAUZRFKWIMFBP-NSHDSACASA-N -1 1 340.445 2.094 20 0 EEADMM Cn1cc(CN2CCC(NC(=O)CC3CCCC3)CC2)cc1C(=O)[O-] ZINC001600952586 1350175321 /nfs/dbraw/zinc/17/53/21/1350175321.db2.gz VLQPGIDEKCLYRH-UHFFFAOYSA-N -1 1 347.459 2.384 20 0 EEADMM Cn1cc(CNCc2cccnc2OCC(F)(F)F)cc1C(=O)[O-] ZINC001600955106 1350176088 /nfs/dbraw/zinc/17/60/88/1350176088.db2.gz WOFINTPSNVDIPS-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM Nc1c(NC(=O)c2ccc(CN3CCCC3)o2)cccc1C(=O)[O-] ZINC001601208642 1350231232 /nfs/dbraw/zinc/23/12/32/1350231232.db2.gz DLDFZQGEQRZSQL-UHFFFAOYSA-N -1 1 329.356 2.408 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCCC1 ZINC001601394168 1350272706 /nfs/dbraw/zinc/27/27/06/1350272706.db2.gz QBAWLOMSWLBKCM-CQSZACIVSA-N -1 1 328.372 2.235 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC001601450120 1350285503 /nfs/dbraw/zinc/28/55/03/1350285503.db2.gz AZIALFHZCXOZBU-IRXDYDNUSA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001601567996 1350308457 /nfs/dbraw/zinc/30/84/57/1350308457.db2.gz FCDVQHFZYRDPQX-OKZBNKHCSA-N -1 1 349.390 2.479 20 0 EEADMM O=C([O-])c1csc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)c1 ZINC001601585680 1350313555 /nfs/dbraw/zinc/31/35/55/1350313555.db2.gz RZSKYHVZQZPNCA-WDEREUQCSA-N -1 1 341.458 2.148 20 0 EEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@H](CCF)C1 ZINC001601867539 1350385341 /nfs/dbraw/zinc/38/53/41/1350385341.db2.gz XSLBFHHRWDTKPO-RHSMWYFYSA-N -1 1 348.418 2.096 20 0 EEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1F ZINC001602273115 1350483092 /nfs/dbraw/zinc/48/30/92/1350483092.db2.gz IAYMPXHJHDBCMU-SECBINFHSA-N -1 1 341.282 2.129 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCN(c3ccc(O)cc3)CC2)c1 ZINC001602449816 1350521652 /nfs/dbraw/zinc/52/16/52/1350521652.db2.gz YVANOMJSPMQTOZ-UHFFFAOYSA-N -1 1 342.395 2.291 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(Cc3cc(F)cc4cccnc43)C2)nn1 ZINC001602498575 1350532424 /nfs/dbraw/zinc/53/24/24/1350532424.db2.gz CHGRFTZYRXPSND-CQSZACIVSA-N -1 1 341.346 2.111 20 0 EEADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])[nH]2)C1 ZINC001603058021 1350628837 /nfs/dbraw/zinc/62/88/37/1350628837.db2.gz IZNFFFLFZLTZJL-LBPRGKRZSA-N -1 1 345.403 2.082 20 0 EEADMM CC(C)(C)c1ccc(OCCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001603118013 1350644473 /nfs/dbraw/zinc/64/44/73/1350644473.db2.gz REJDUEOURJCZEQ-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(CO)CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603151911 1350650912 /nfs/dbraw/zinc/65/09/12/1350650912.db2.gz IDZJENVQQUDBIE-UHFFFAOYSA-N -1 1 330.314 2.101 20 0 EEADMM CC(C)(CO)CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603151911 1350650914 /nfs/dbraw/zinc/65/09/14/1350650914.db2.gz IDZJENVQQUDBIE-UHFFFAOYSA-N -1 1 330.314 2.101 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001603164624 1350653657 /nfs/dbraw/zinc/65/36/57/1350653657.db2.gz HPCZQUQRGOLJEP-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001603164624 1350653660 /nfs/dbraw/zinc/65/36/60/1350653660.db2.gz HPCZQUQRGOLJEP-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603211961 1350662870 /nfs/dbraw/zinc/66/28/70/1350662870.db2.gz YRFZPAVCQOFNJJ-SECBINFHSA-N -1 1 342.325 2.311 20 0 EEADMM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603211961 1350662872 /nfs/dbraw/zinc/66/28/72/1350662872.db2.gz YRFZPAVCQOFNJJ-SECBINFHSA-N -1 1 342.325 2.311 20 0 EEADMM CC(C)CCC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC001603276239 1350677423 /nfs/dbraw/zinc/67/74/23/1350677423.db2.gz DZQLWSPONDLMKD-AWEZNQCLSA-N -1 1 335.383 2.375 20 0 EEADMM C[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)Oc1ccccc1 ZINC001603547299 1350718386 /nfs/dbraw/zinc/71/83/86/1350718386.db2.gz ATQAAALEMZHDQN-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM CC(C)CN(CC(=O)NCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC001603802499 1350771124 /nfs/dbraw/zinc/77/11/24/1350771124.db2.gz CAZRALABTBDKRG-UHFFFAOYSA-N -1 1 326.824 2.389 20 0 EEADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@]1(F)Cl ZINC001603808154 1350773634 /nfs/dbraw/zinc/77/36/34/1350773634.db2.gz LFORQUWTPJVDHZ-STQMWFEESA-N -1 1 328.706 2.477 20 0 EEADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603808154 1350773636 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CCCn1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C1CC1 ZINC001604252491 1350903412 /nfs/dbraw/zinc/90/34/12/1350903412.db2.gz OZWMQLGYGOBMJA-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM CCOC(=O)[C@@H]1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001604382774 1350926771 /nfs/dbraw/zinc/92/67/71/1350926771.db2.gz KYTVBVPENUVVTP-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM CCON(CC1CCCCC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604438631 1350938071 /nfs/dbraw/zinc/93/80/71/1350938071.db2.gz WJKXQVBNXMYVRZ-UHFFFAOYSA-N -1 1 330.392 2.236 20 0 EEADMM CCON(CC1CCCCC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604438631 1350938073 /nfs/dbraw/zinc/93/80/73/1350938073.db2.gz WJKXQVBNXMYVRZ-UHFFFAOYSA-N -1 1 330.392 2.236 20 0 EEADMM CCOc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001604459619 1350942156 /nfs/dbraw/zinc/94/21/56/1350942156.db2.gz BIGVIWXAUYDHGT-UHFFFAOYSA-N -1 1 339.355 2.326 20 0 EEADMM CCOc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001604459619 1350942159 /nfs/dbraw/zinc/94/21/59/1350942159.db2.gz 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EEADMM C[C@@H]1CCN(CC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001604751397 1350996923 /nfs/dbraw/zinc/99/69/23/1350996923.db2.gz DLSRBNHUUITBJN-YGRLFVJLSA-N -1 1 344.333 2.289 20 0 EEADMM C[C@@H]1CCn2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)nc2C1 ZINC001604770101 1350999759 /nfs/dbraw/zinc/99/97/59/1350999759.db2.gz WZQLXDDDAPONLY-SECBINFHSA-N -1 1 339.355 2.292 20 0 EEADMM CCC(=O)N1CCCN(CCOc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC001604857208 1351020618 /nfs/dbraw/zinc/02/06/18/1351020618.db2.gz IBBQEZRRQGKSHM-TWGQIWQCSA-N -1 1 346.427 2.108 20 0 EEADMM COC(=O)Nc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1F ZINC001604954170 1351038604 /nfs/dbraw/zinc/03/86/04/1351038604.db2.gz ZIWLVDQYFIVOSY-UHFFFAOYSA-N -1 1 346.278 2.029 20 0 EEADMM COC(=O)Nc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1F ZINC001604954170 1351038607 /nfs/dbraw/zinc/03/86/07/1351038607.db2.gz ZIWLVDQYFIVOSY-UHFFFAOYSA-N -1 1 346.278 2.029 20 0 EEADMM COCCC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001605080978 1351074630 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CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001605392513 1351152448 /nfs/dbraw/zinc/15/24/48/1351152448.db2.gz IKHXRMYKLLVBMH-SECBINFHSA-N -1 1 348.407 2.045 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001605393552 1351152980 /nfs/dbraw/zinc/15/29/80/1351152980.db2.gz LOGXWRXHKNCWJQ-JTQLQIEISA-N -1 1 332.412 2.081 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001605393552 1351152985 /nfs/dbraw/zinc/15/29/85/1351152985.db2.gz LOGXWRXHKNCWJQ-JTQLQIEISA-N -1 1 332.412 2.081 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2cccc(Cl)c2)nn1C ZINC001605466394 1351164395 /nfs/dbraw/zinc/16/43/95/1351164395.db2.gz YYPZPDAQGHYFRJ-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2cccc(Cl)c2)nn1C ZINC001605466394 1351164397 /nfs/dbraw/zinc/16/43/97/1351164397.db2.gz YYPZPDAQGHYFRJ-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1cc(C)c(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001605640414 1351208071 /nfs/dbraw/zinc/20/80/71/1351208071.db2.gz FOFUMJNSRBFSEB-UHFFFAOYSA-N -1 1 336.399 2.392 20 0 EEADMM Cc1cc(C)c(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001605640414 1351208072 /nfs/dbraw/zinc/20/80/72/1351208072.db2.gz FOFUMJNSRBFSEB-UHFFFAOYSA-N -1 1 336.399 2.392 20 0 EEADMM Cc1ccc(CN(C)C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)nc1 ZINC001605843132 1351233552 /nfs/dbraw/zinc/23/35/52/1351233552.db2.gz MSNLHSBJDCXQFQ-UHFFFAOYSA-N -1 1 347.382 2.324 20 0 EEADMM Cc1ccc(OCC(=O)OCc2cccnc2-c2nnn[n-]2)c(C)c1 ZINC001605878565 1351244513 /nfs/dbraw/zinc/24/45/13/1351244513.db2.gz MKLZAZHOXDNOJT-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1ccc(OCC(=O)OCc2cccnc2-c2nn[n-]n2)c(C)c1 ZINC001605878565 1351244517 /nfs/dbraw/zinc/24/45/17/1351244517.db2.gz MKLZAZHOXDNOJT-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccccc1-c1ccccc1 ZINC001606446773 1351303205 /nfs/dbraw/zinc/30/32/05/1351303205.db2.gz YJARQSBUGSAILQ-UHFFFAOYSA-N -1 1 331.339 2.001 20 0 EEADMM O=C(CC(C1CC1)C1CC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606488693 1351310548 /nfs/dbraw/zinc/31/05/48/1351310548.db2.gz RQYAWRQBAAFPLL-UHFFFAOYSA-N -1 1 338.415 2.367 20 0 EEADMM O=C(CC(C1CC1)C1CC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606488693 1351310551 /nfs/dbraw/zinc/31/05/51/1351310551.db2.gz RQYAWRQBAAFPLL-UHFFFAOYSA-N -1 1 338.415 2.367 20 0 EEADMM O=C(CSc1ccc(F)cc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606584729 1351326576 /nfs/dbraw/zinc/32/65/76/1351326576.db2.gz DMLKKJWGUBUZPE-UHFFFAOYSA-N -1 1 349.416 2.476 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(-c2ccon2)cc1 ZINC001606596424 1351329610 /nfs/dbraw/zinc/32/96/10/1351329610.db2.gz LOKJRQFDJPBBEY-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(-c2ccon2)cc1 ZINC001606596424 1351329614 /nfs/dbraw/zinc/32/96/14/1351329614.db2.gz LOKJRQFDJPBBEY-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606682767 1351341683 /nfs/dbraw/zinc/34/16/83/1351341683.db2.gz HFEDNXQLMUVZMV-JTQLQIEISA-N -1 1 345.746 2.367 20 0 EEADMM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606682767 1351341689 /nfs/dbraw/zinc/34/16/89/1351341689.db2.gz HFEDNXQLMUVZMV-JTQLQIEISA-N -1 1 345.746 2.367 20 0 EEADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606876287 1351369116 /nfs/dbraw/zinc/36/91/16/1351369116.db2.gz VKIVIZQZMYUXIA-GMOODISLSA-N -1 1 333.342 2.453 20 0 EEADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606876287 1351369120 /nfs/dbraw/zinc/36/91/20/1351369120.db2.gz VKIVIZQZMYUXIA-GMOODISLSA-N -1 1 333.342 2.453 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C(F)(F)c1ccccc1 ZINC001606890847 1351370204 /nfs/dbraw/zinc/37/02/04/1351370204.db2.gz CWQTWNNJGDSFHX-UHFFFAOYSA-N -1 1 345.313 2.198 20 0 EEADMM O=C(OCc1cc(Cl)ccn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606975394 1351389422 /nfs/dbraw/zinc/38/94/22/1351389422.db2.gz OFTLVNUPWPYYHS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cc(Cl)ccn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606975394 1351389425 /nfs/dbraw/zinc/38/94/25/1351389425.db2.gz OFTLVNUPWPYYHS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCSC[C@H]1C1CC1 ZINC001607016758 1351398046 /nfs/dbraw/zinc/39/80/46/1351398046.db2.gz CCKOJGVFWQHXAQ-JTQLQIEISA-N -1 1 335.458 2.286 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCSC[C@H]1C1CC1 ZINC001607016758 1351398050 /nfs/dbraw/zinc/39/80/50/1351398050.db2.gz CCKOJGVFWQHXAQ-JTQLQIEISA-N -1 1 335.458 2.286 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCCC[C@@H]1C(F)(F)F ZINC001607025860 1351399804 /nfs/dbraw/zinc/39/98/04/1351399804.db2.gz NOFKKICHKJCHGD-LLVKDONJSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1C(F)(F)F ZINC001607025860 1351399807 /nfs/dbraw/zinc/39/98/07/1351399807.db2.gz NOFKKICHKJCHGD-LLVKDONJSA-N -1 1 340.309 2.209 20 0 EEADMM O=S(=O)(CC1CCC1)Oc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001607058137 1351404968 /nfs/dbraw/zinc/40/49/68/1351404968.db2.gz RLIUKELDHRCXPD-UHFFFAOYSA-N -1 1 346.771 2.168 20 0 EEADMM c1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)ccn1 ZINC001607118297 1351426764 /nfs/dbraw/zinc/42/67/64/1351426764.db2.gz YHJYHNRUCRMMSE-AWEZNQCLSA-N -1 1 334.387 2.271 20 0 EEADMM c1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)ccn1 ZINC001607118297 1351426766 /nfs/dbraw/zinc/42/67/66/1351426766.db2.gz YHJYHNRUCRMMSE-AWEZNQCLSA-N -1 1 334.387 2.271 20 0 EEADMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)CC[C@H](C)O)c1 ZINC001607200122 1351447973 /nfs/dbraw/zinc/44/79/73/1351447973.db2.gz KVQMKJBLPHQDDY-TVQRCGJNSA-N -1 1 346.221 2.286 20 0 EEADMM COc1ccc(/C(C)=C/C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC001607220592 1351451954 /nfs/dbraw/zinc/45/19/54/1351451954.db2.gz RWELZMNPAZMVPN-OKFGHLOFSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc(CN[C@H](CF)C(=O)[O-])cc1OCc1cccnc1 ZINC001607259667 1351460301 /nfs/dbraw/zinc/46/03/01/1351460301.db2.gz YZJVEZWMYGUIOY-CQSZACIVSA-N -1 1 334.347 2.182 20 0 EEADMM COc1cccc([C@H](NC(=O)c2n[nH]c3ccccc32)C(=O)[O-])c1 ZINC001607330000 1351475458 /nfs/dbraw/zinc/47/54/58/1351475458.db2.gz CGZKWOXXHQPTLG-AWEZNQCLSA-N -1 1 325.324 2.127 20 0 EEADMM Cc1cc([C@H]2CCCCN2S(=O)(=O)CCCCCC(=O)[O-])[nH]n1 ZINC001607633437 1351529776 /nfs/dbraw/zinc/52/97/76/1351529776.db2.gz DIRZRYCXEMHIPY-CQSZACIVSA-N -1 1 343.449 2.220 20 0 EEADMM Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607937077 1351589854 /nfs/dbraw/zinc/58/98/54/1351589854.db2.gz QEFOAQDWOKQGCS-QMMMGPOBSA-N -1 1 341.371 2.418 20 0 EEADMM Cn1c(CN2CCCC[C@@H]2COC(=O)N2CCCC2)ccc1C(=O)[O-] ZINC001608087404 1351622152 /nfs/dbraw/zinc/62/21/52/1351622152.db2.gz NKZUWJQBOOGBFP-OAHLLOKOSA-N -1 1 349.431 2.310 20 0 EEADMM O=C([O-])c1nc(NC(=O)CCCCc2cn[nH]n2)sc1C1CC1 ZINC001608302702 1351666993 /nfs/dbraw/zinc/66/69/93/1351666993.db2.gz KHMFALGIAMLYEH-UHFFFAOYSA-N -1 1 335.389 2.188 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC001608331073 1351672318 /nfs/dbraw/zinc/67/23/18/1351672318.db2.gz NMTCBQHMXGBOPD-OAHLLOKOSA-N -1 1 339.395 2.425 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2noc(-c3cccs3)n2)sn1 ZINC001622107270 1352378237 /nfs/dbraw/zinc/37/82/37/1352378237.db2.gz DFPSJAVKXOICOY-UHFFFAOYSA-N -1 1 342.427 2.042 20 0 EEADMM CSc1ncc(C(=O)NCc2ccccc2-n2ccnc2)c(=O)[n-]1 ZINC001624201713 1352416467 /nfs/dbraw/zinc/41/64/67/1352416467.db2.gz FJLXOHMRLBJETD-UHFFFAOYSA-N -1 1 341.396 2.020 20 0 EEADMM Cn1ccnc1[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(F)cc1 ZINC001624829645 1352432126 /nfs/dbraw/zinc/43/21/26/1352432126.db2.gz PHODXHAIHMWJJL-OAHLLOKOSA-N -1 1 326.331 2.179 20 0 EEADMM O=C(NC[C@H](O)c1ccco1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001626680720 1352470395 /nfs/dbraw/zinc/47/03/95/1352470395.db2.gz RMPWWVJTOCBHQC-ZDUSSCGKSA-N -1 1 328.328 2.026 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc([O-])cc(=O)[nH]1 ZINC001634152248 1352622640 /nfs/dbraw/zinc/62/26/40/1352622640.db2.gz GNUUCOAYNWOCRH-UHFFFAOYSA-N -1 1 335.363 2.414 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC2(CC2)C1 ZINC001646691657 1352925961 /nfs/dbraw/zinc/92/59/61/1352925961.db2.gz WLFADHQGJXIATQ-UHFFFAOYSA-N -1 1 326.404 2.236 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001647688816 1353379457 /nfs/dbraw/zinc/37/94/57/1353379457.db2.gz NFIUGWAOWHJERZ-BETUJISGSA-N -1 1 340.431 2.482 20 0 EEADMM COc1cc(Cl)ccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647948245 1353411127 /nfs/dbraw/zinc/41/11/27/1353411127.db2.gz XRZPTBRSRQNQCV-AWEZNQCLSA-N -1 1 343.774 2.381 20 0 EEADMM O=C(CSCc1ccc(Cl)cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001649334067 1353484235 /nfs/dbraw/zinc/48/42/35/1353484235.db2.gz CDXJXBOQIDLDAX-NSHDSACASA-N -1 1 337.836 2.102 20 0 EEADMM CN(CCCN(C)C(=O)c1ccoc1CC(=O)[O-])Cc1ccco1 ZINC001650027816 1353693157 /nfs/dbraw/zinc/69/31/57/1353693157.db2.gz QEOSWAHESCNCQM-UHFFFAOYSA-N -1 1 334.372 2.094 20 0 EEADMM O=C(c1ccc(N2CCCCCC2)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650582855 1354004130 /nfs/dbraw/zinc/00/41/30/1354004130.db2.gz SJFQCFIWRRSIGN-OAHLLOKOSA-N -1 1 340.431 2.210 20 0 EEADMM CC(C)c1noc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000068923006 1354135175 /nfs/dbraw/zinc/13/51/75/1354135175.db2.gz HTURRRAWLPXBIH-UHFFFAOYSA-N -1 1 349.334 2.131 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)C1(C)CCCC1 ZINC001388856494 1387755094 /nfs/dbraw/zinc/75/50/94/1387755094.db2.gz UOGYHDCPINNERK-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CCn1nc(C)c(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)n1 ZINC000815549941 1368033192 /nfs/dbraw/zinc/03/31/92/1368033192.db2.gz XVPRJYMVSQNVOL-UHFFFAOYSA-N -1 1 344.400 2.386 20 0 EEADMM Cc1nn(-c2ccccc2)cc1C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001199201726 1368677114 /nfs/dbraw/zinc/67/71/14/1368677114.db2.gz NIFIECNOYKZDQR-UHFFFAOYSA-N -1 1 340.299 2.032 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCc2ccccc2)cc1 ZINC000006641756 1369193988 /nfs/dbraw/zinc/19/39/88/1369193988.db2.gz LFQCBNIIIMVKEN-UHFFFAOYSA-N -1 1 341.363 2.128 20 0 EEADMM CN[C@@H](C)c1cn(Cc2cc(Br)ccc2C(=O)[O-])nn1 ZINC001606295578 1404780355 /nfs/dbraw/zinc/78/03/55/1404780355.db2.gz REWRWNTYUDERPC-QMMMGPOBSA-N -1 1 339.193 2.068 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1N1CCNC1=O ZINC000782507745 1371305310 /nfs/dbraw/zinc/30/53/10/1371305310.db2.gz QQODOQPKMAGEBB-UHFFFAOYSA-N -1 1 331.397 2.325 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@@H]1c1c(F)cccc1F)c1c[nH]nc1Cl ZINC000830539604 1372333017 /nfs/dbraw/zinc/33/30/17/1372333017.db2.gz KBLBJKLZURPZMG-RCOVLWMOSA-N -1 1 333.747 2.176 20 0 EEADMM CSCC(C)(C)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801189 1372351428 /nfs/dbraw/zinc/35/14/28/1372351428.db2.gz IXRPNAVXIQBICT-GFCCVEGCSA-N -1 1 326.384 2.045 20 0 EEADMM COC(=O)[C@@]1(C)CCCN1Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138188825 1372362195 /nfs/dbraw/zinc/36/21/95/1372362195.db2.gz MNOJWWMYRRMWFL-GOSISDBHSA-N -1 1 330.384 2.253 20 0 EEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831140525 1372367975 /nfs/dbraw/zinc/36/79/75/1372367975.db2.gz ZQMDVDSAZBFELU-WDEREUQCSA-N -1 1 346.374 2.297 20 0 EEADMM Cc1[nH]c(CN2CCC[C@H](Oc3nccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC001140499282 1372588742 /nfs/dbraw/zinc/58/87/42/1372588742.db2.gz PEWSPGSNQBWBOV-AWEZNQCLSA-N -1 1 344.415 2.472 20 0 EEADMM CO[C@@H]1C[C@H](N(C)C(=O)c2ccc3n[n-]c(=S)n3c2)C12CCC2 ZINC000837011237 1372763170 /nfs/dbraw/zinc/76/31/70/1372763170.db2.gz HATIVRFAHGTLDT-NWDGAFQWSA-N -1 1 332.429 2.048 20 0 EEADMM CC(C)[C@H](OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)C(N)=O ZINC000838084293 1372821639 /nfs/dbraw/zinc/82/16/39/1372821639.db2.gz DCMLANABPONWCJ-HNNXBMFYSA-N -1 1 344.367 2.038 20 0 EEADMM COC(=O)c1cccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001361496214 1373303011 /nfs/dbraw/zinc/30/30/11/1373303011.db2.gz RYURJJODJOVURC-UHFFFAOYSA-N -1 1 341.367 2.029 20 0 EEADMM CSc1ncc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)c(=O)[n-]1 ZINC001362147614 1373370798 /nfs/dbraw/zinc/37/07/98/1373370798.db2.gz JNRZMBLARQETRU-UHFFFAOYSA-N -1 1 345.380 2.052 20 0 EEADMM C[C@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CC(C)(C)C1 ZINC001367191226 1374120412 /nfs/dbraw/zinc/12/04/12/1374120412.db2.gz MIQIJNMONBXHSH-SGTLLEGYSA-N -1 1 349.479 2.101 20 0 EEADMM CCC(CC)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001370856604 1375077478 /nfs/dbraw/zinc/07/74/78/1375077478.db2.gz GCPWZTXXYKQFBW-OCCSQVGLSA-N -1 1 333.432 2.333 20 0 EEADMM CCC(CC)CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001370856602 1375077785 /nfs/dbraw/zinc/07/77/85/1375077785.db2.gz GCPWZTXXYKQFBW-JSGCOSHPSA-N -1 1 333.432 2.333 20 0 EEADMM CC(C)(C)CCC(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001371278123 1375348559 /nfs/dbraw/zinc/34/85/59/1375348559.db2.gz ALUKBEOHNSOFFS-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CCCC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)CCC1 ZINC001389939958 1388373667 /nfs/dbraw/zinc/37/36/67/1388373667.db2.gz QHPBVERQFODKMY-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCC(C)(C)CC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372065343 1375747466 /nfs/dbraw/zinc/74/74/66/1375747466.db2.gz AFJIGQPQVBWRBF-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372144707 1375806672 /nfs/dbraw/zinc/80/66/72/1375806672.db2.gz WZUWKFDXGUECTD-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1coc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CCCC2)c1 ZINC001375305452 1377605996 /nfs/dbraw/zinc/60/59/96/1377605996.db2.gz JXGKCFWAROOTCU-UHFFFAOYSA-N -1 1 343.383 2.161 20 0 EEADMM CC(C)CC1(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001375698313 1377932114 /nfs/dbraw/zinc/93/21/14/1377932114.db2.gz UAWYDEJUBSXWIH-AWEZNQCLSA-N -1 1 347.459 2.486 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001390372961 1388611162 /nfs/dbraw/zinc/61/11/62/1388611162.db2.gz BBCNPSRVKIDMCY-LLVKDONJSA-N -1 1 347.802 2.379 20 0 EEADMM CCC1(C(=O)N[C@@H]2C[C@@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001384065900 1382777503 /nfs/dbraw/zinc/77/75/03/1382777503.db2.gz AMCHNMRSKNOBRP-ZIAGYGMSSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@@H](NC(=O)C1(C)CCC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385531398 1385655099 /nfs/dbraw/zinc/65/50/99/1385655099.db2.gz JHUMQGBVYLTNGE-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387480202 1386766783 /nfs/dbraw/zinc/76/67/83/1386766783.db2.gz CBPSHKVFCIUAFR-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001397045674 1391028128 /nfs/dbraw/zinc/02/81/28/1391028128.db2.gz BJHZUMZWUHPZFC-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)C1(C)CCC1 ZINC001397524550 1391288608 /nfs/dbraw/zinc/28/86/08/1391288608.db2.gz SIUOUQZYVJWWHL-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c(C)c1 ZINC001397842719 1391503149 /nfs/dbraw/zinc/50/31/49/1391503149.db2.gz NYHQQSJAVHNTEV-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM Cc1ccccc1[C@@H](C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001397899421 1391541753 /nfs/dbraw/zinc/54/17/53/1391541753.db2.gz QRZLYHNXAMOTBX-CQSZACIVSA-N -1 1 341.411 2.088 20 0 EEADMM CCN(CCNC(=O)[C@H](C)c1ccsc1)C(=O)c1ncccc1[O-] ZINC001398155489 1391755311 /nfs/dbraw/zinc/75/53/11/1391755311.db2.gz QWIRISSGOARPGI-GFCCVEGCSA-N -1 1 347.440 2.231 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(Cc2ccon2)CC1 ZINC001398354153 1392254460 /nfs/dbraw/zinc/25/44/60/1392254460.db2.gz GSHXZAGJNGBHAB-UHFFFAOYSA-N -1 1 344.415 2.292 20 0 EEADMM CC1(C(=O)NCCC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001753034154 1406617440 /nfs/dbraw/zinc/61/74/40/1406617440.db2.gz BFUMLIYWBDBLST-CQSZACIVSA-N -1 1 349.479 2.342 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)C(C)(C)C ZINC001399547574 1395232159 /nfs/dbraw/zinc/23/21/59/1395232159.db2.gz MUUDJHWTMAPWLG-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)c1ocnc1CN(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001422490363 1399957222 /nfs/dbraw/zinc/95/72/22/1399957222.db2.gz GNQWDMLCUCDICK-GFCCVEGCSA-N -1 1 332.404 2.149 20 0 EEADMM C[C@@H](CN(C)Cc1ncc(Cl)s1)NC(=O)c1ncccc1[O-] ZINC001422804635 1400205665 /nfs/dbraw/zinc/20/56/65/1400205665.db2.gz HZCPIFCPIDLETQ-VIFPVBQESA-N -1 1 340.836 2.147 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)CC1CCC1 ZINC001423719811 1400767288 /nfs/dbraw/zinc/76/72/88/1400767288.db2.gz CQRYYWFMEOLNHJ-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(O)CCCC2(C)C)c(F)c1 ZINC001424129217 1400923378 /nfs/dbraw/zinc/92/33/78/1400923378.db2.gz GKXYLHCWTBDXBJ-HNNXBMFYSA-N -1 1 333.400 2.493 20 0 EEADMM CCC(C)(CC)C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001426115526 1401887081 /nfs/dbraw/zinc/88/70/81/1401887081.db2.gz CVZBYOHNSJRDQT-UHFFFAOYSA-N -1 1 333.432 2.333 20 0 EEADMM CCC[C@@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001426662858 1402133583 /nfs/dbraw/zinc/13/35/83/1402133583.db2.gz TWJLXTSRQBBBPX-VXGBXAGGSA-N -1 1 348.447 2.073 20 0 EEADMM CCCC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001427443325 1402419139 /nfs/dbraw/zinc/41/91/39/1402419139.db2.gz HIEHJPIHQHCYQQ-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccsc1 ZINC001427517070 1402457126 /nfs/dbraw/zinc/45/71/26/1402457126.db2.gz LSBAAOFSFSSWNQ-VXGBXAGGSA-N -1 1 347.440 2.229 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001428055524 1402600926 /nfs/dbraw/zinc/60/09/26/1402600926.db2.gz FJCBEYDXAPYIGU-STQMWFEESA-N -1 1 333.432 2.333 20 0 EEADMM C[C@](CNC(=O)CCC1(C)CC1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432859360 1403307843 /nfs/dbraw/zinc/30/78/43/1403307843.db2.gz GILXTDAHSRHSRS-LJQANCHMSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccsc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433087626 1403355376 /nfs/dbraw/zinc/35/53/76/1403355376.db2.gz BQERTHDFFXMACP-GFCCVEGCSA-N -1 1 347.440 2.342 20 0 EEADMM CCCCC(=O)NC[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577418005 1403648120 /nfs/dbraw/zinc/64/81/20/1403648120.db2.gz ZEKVHCFOOFXOOV-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCOC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001577686746 1403668695 /nfs/dbraw/zinc/66/86/95/1403668695.db2.gz GNACQEWIBCIJSU-UHFFFAOYSA-N -1 1 344.419 2.121 20 0 EEADMM CCCOC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001577686746 1403668702 /nfs/dbraw/zinc/66/87/02/1403668702.db2.gz GNACQEWIBCIJSU-UHFFFAOYSA-N -1 1 344.419 2.121 20 0 EEADMM COc1ncc(C)cc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001580130359 1403832003 /nfs/dbraw/zinc/83/20/03/1403832003.db2.gz NCRFMPJSJMIWKY-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM COc1ncc(C)cc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001580130359 1403832014 /nfs/dbraw/zinc/83/20/14/1403832014.db2.gz NCRFMPJSJMIWKY-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM CS[C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001580192316 1403842643 /nfs/dbraw/zinc/84/26/43/1403842643.db2.gz JZNLGFWKMOGHJO-ZCFIWIBFSA-N -1 1 347.322 2.455 20 0 EEADMM CCOC(=O)C1=CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590757067 1403897564 /nfs/dbraw/zinc/89/75/64/1403897564.db2.gz AWGZADJHMYYPLK-ZETCQYMHSA-N -1 1 340.796 2.040 20 0 EEADMM CCOC(=O)C1=CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590757067 1403897570 /nfs/dbraw/zinc/89/75/70/1403897570.db2.gz AWGZADJHMYYPLK-ZETCQYMHSA-N -1 1 340.796 2.040 20 0 EEADMM COC(=O)c1ccc(Sc2ccc(F)cc2)c(-c2nnn[n-]2)n1 ZINC001591298400 1403903412 /nfs/dbraw/zinc/90/34/12/1403903412.db2.gz AKHBYECFYKONSZ-UHFFFAOYSA-N -1 1 331.332 2.339 20 0 EEADMM COC(=O)c1ccc(Sc2ccc(F)cc2)c(-c2nn[n-]n2)n1 ZINC001591298400 1403903435 /nfs/dbraw/zinc/90/34/35/1403903435.db2.gz AKHBYECFYKONSZ-UHFFFAOYSA-N -1 1 331.332 2.339 20 0 EEADMM COC(=O)c1ccc(Oc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC001591297886 1403904847 /nfs/dbraw/zinc/90/48/47/1403904847.db2.gz AXIANHPMYZLURO-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COc1ccccc1Cc1noc(-c2cc(-c3nnn[n-]3)oc2C)n1 ZINC001591651488 1403934626 /nfs/dbraw/zinc/93/46/26/1403934626.db2.gz XTEBPNCIYXCLOH-UHFFFAOYSA-N -1 1 338.327 2.418 20 0 EEADMM COc1ccccc1Cc1noc(-c2cc(-c3nn[n-]n3)oc2C)n1 ZINC001591651488 1403934631 /nfs/dbraw/zinc/93/46/31/1403934631.db2.gz XTEBPNCIYXCLOH-UHFFFAOYSA-N -1 1 338.327 2.418 20 0 EEADMM C[C@]12CN(C(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591778826 1403945407 /nfs/dbraw/zinc/94/54/07/1403945407.db2.gz UAFQRJQEHCMSHZ-GJPRJAGVSA-N -1 1 339.374 2.290 20 0 EEADMM C[C@]12CN(C(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591778826 1403945411 /nfs/dbraw/zinc/94/54/11/1403945411.db2.gz UAFQRJQEHCMSHZ-GJPRJAGVSA-N -1 1 339.374 2.290 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001591894464 1403969945 /nfs/dbraw/zinc/96/99/45/1403969945.db2.gz WOPZYKULRICLBM-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001591894464 1403969953 /nfs/dbraw/zinc/96/99/53/1403969953.db2.gz WOPZYKULRICLBM-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC2(Cc3ccc(F)cc3)CC2)n1 ZINC001591892362 1403970659 /nfs/dbraw/zinc/97/06/59/1403970659.db2.gz HCMVGLCUHPMENN-UHFFFAOYSA-N -1 1 325.351 2.291 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC2(Cc3ccc(F)cc3)CC2)n1 ZINC001591892362 1403970667 /nfs/dbraw/zinc/97/06/67/1403970667.db2.gz HCMVGLCUHPMENN-UHFFFAOYSA-N -1 1 325.351 2.291 20 0 EEADMM Cc1cc(N2CCc3cc(F)c(F)cc3C2)cc(-c2nnn[n-]2)n1 ZINC001592009338 1403982945 /nfs/dbraw/zinc/98/29/45/1403982945.db2.gz FIKRSYLNPBPIEE-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1cc(N2CCc3cc(F)c(F)cc3C2)cc(-c2nn[n-]n2)n1 ZINC001592009338 1403982954 /nfs/dbraw/zinc/98/29/54/1403982954.db2.gz FIKRSYLNPBPIEE-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ccc(CC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001592150819 1404007874 /nfs/dbraw/zinc/00/78/74/1404007874.db2.gz WVLGHUSOJITVMC-VIFPVBQESA-N -1 1 329.360 2.421 20 0 EEADMM Cc1ccc(CC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001592150819 1404007881 /nfs/dbraw/zinc/00/78/81/1404007881.db2.gz WVLGHUSOJITVMC-VIFPVBQESA-N -1 1 329.360 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cnccc1C(C)(C)C ZINC001592500366 1404705089 /nfs/dbraw/zinc/70/50/89/1404705089.db2.gz DVIHJDMMSYVMBR-UHFFFAOYSA-N -1 1 340.387 2.391 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cnccc1C(C)(C)C ZINC001592500366 1404705094 /nfs/dbraw/zinc/70/50/94/1404705094.db2.gz DVIHJDMMSYVMBR-UHFFFAOYSA-N -1 1 340.387 2.391 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001592500150 1404705109 /nfs/dbraw/zinc/70/51/09/1404705109.db2.gz UHGVRMPKAFPMSA-UHFFFAOYSA-N -1 1 347.281 2.086 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2c(F)c(F)ccc21 ZINC001592500150 1404705113 /nfs/dbraw/zinc/70/51/13/1404705113.db2.gz UHGVRMPKAFPMSA-UHFFFAOYSA-N -1 1 347.281 2.086 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccccc2)CC1 ZINC001592913933 1404728863 /nfs/dbraw/zinc/72/88/63/1404728863.db2.gz UCEUNJNIFVJDJS-UHFFFAOYSA-N -1 1 348.410 2.210 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccccc2)CC1 ZINC001592913933 1404728872 /nfs/dbraw/zinc/72/88/72/1404728872.db2.gz UCEUNJNIFVJDJS-UHFFFAOYSA-N -1 1 348.410 2.210 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc2ncsc2c1 ZINC001592914911 1404728886 /nfs/dbraw/zinc/72/88/86/1404728886.db2.gz BSUVLTFGNMBCJA-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc2ncsc2c1 ZINC001592914911 1404728892 /nfs/dbraw/zinc/72/88/92/1404728892.db2.gz BSUVLTFGNMBCJA-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1coc(-c2nnn[n-]2)c1 ZINC001592995603 1404730994 /nfs/dbraw/zinc/73/09/94/1404730994.db2.gz CZVBMZVMKNKSSP-VIFPVBQESA-N -1 1 349.272 2.294 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)c1coc(-c2nn[n-]n2)c1 ZINC001592995603 1404731002 /nfs/dbraw/zinc/73/10/02/1404731002.db2.gz CZVBMZVMKNKSSP-VIFPVBQESA-N -1 1 349.272 2.294 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1OCCc2ccccc21 ZINC001606170476 1404773073 /nfs/dbraw/zinc/77/30/73/1404773073.db2.gz CEAYEFUMDXSKEX-HNNXBMFYSA-N -1 1 340.339 2.239 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1OCCc2ccccc21 ZINC001606170476 1404773075 /nfs/dbraw/zinc/77/30/75/1404773075.db2.gz CEAYEFUMDXSKEX-HNNXBMFYSA-N -1 1 340.339 2.239 20 0 EEADMM CNC(=O)[C@H](Cc1ccccc1)NCc1cc(C(=O)[O-])ccc1Cl ZINC001606261463 1404777989 /nfs/dbraw/zinc/77/79/89/1404777989.db2.gz RJXOVAPDHWYFTL-INIZCTEOSA-N -1 1 346.814 2.485 20 0 EEADMM Fc1ccc2c(c1)OC[C@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001606326936 1404793438 /nfs/dbraw/zinc/79/34/38/1404793438.db2.gz NPSOJXUUCAWWBY-SNVBAGLBSA-N -1 1 346.753 2.470 20 0 EEADMM Fc1ccc2c(c1)OC[C@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001606326936 1404793443 /nfs/dbraw/zinc/79/34/43/1404793443.db2.gz NPSOJXUUCAWWBY-SNVBAGLBSA-N -1 1 346.753 2.470 20 0 EEADMM Fc1cccc2c1OCCC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606332590 1404794939 /nfs/dbraw/zinc/79/49/39/1404794939.db2.gz NAFGAOLRMKAVTR-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc2c1OCCC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606332590 1404794952 /nfs/dbraw/zinc/79/49/52/1404794952.db2.gz NAFGAOLRMKAVTR-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001606335545 1404796940 /nfs/dbraw/zinc/79/69/40/1404796940.db2.gz LFNCTSSXFPUMQA-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001606335545 1404796943 /nfs/dbraw/zinc/79/69/43/1404796943.db2.gz LFNCTSSXFPUMQA-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)/C=C\C(C)(C)C ZINC001757280865 1409614991 /nfs/dbraw/zinc/61/49/91/1409614991.db2.gz UMIKLUVCFJDKRH-FNOHHLHBSA-N -1 1 331.416 2.062 20 0 EEADMM Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1CCC1CCCCC1 ZINC001772158254 1410067296 /nfs/dbraw/zinc/06/72/96/1410067296.db2.gz XGZACHBGLNRJFQ-AWEZNQCLSA-N -1 1 344.467 2.248 20 0 EEADMM Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1CCC1CCCCC1 ZINC001772158254 1410067308 /nfs/dbraw/zinc/06/73/08/1410067308.db2.gz XGZACHBGLNRJFQ-AWEZNQCLSA-N -1 1 344.467 2.248 20 0 EEADMM CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2ccc([O-])cc2F)C1 ZINC001772480093 1410202070 /nfs/dbraw/zinc/20/20/70/1410202070.db2.gz TUHROTJHQNQOJP-UHFFFAOYSA-N -1 1 336.363 2.367 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@@H](F)C(C)C)n[n-]1 ZINC000846642085 790302989 /nfs/dbraw/zinc/30/29/89/790302989.db2.gz BCFACCHKCDAJSD-QWRGUYRKSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@@H](F)C(C)C)[n-]1 ZINC000846642085 790302994 /nfs/dbraw/zinc/30/29/94/790302994.db2.gz BCFACCHKCDAJSD-QWRGUYRKSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@@H](F)C(C)C)n1 ZINC000846642085 790302997 /nfs/dbraw/zinc/30/29/97/790302997.db2.gz BCFACCHKCDAJSD-QWRGUYRKSA-N -1 1 328.388 2.179 20 0 EEADMM Cc1cc(N(C)CCN(C(=O)c2ncccc2[O-])C(C)C)nc(C)n1 ZINC001125477661 759396749 /nfs/dbraw/zinc/39/67/49/759396749.db2.gz MEQVTMLBHCNJJC-UHFFFAOYSA-N -1 1 343.431 2.181 20 0 EEADMM CC(C)N(CCN(C)c1ncc(Cl)cn1)C(=O)c1ncccc1[O-] ZINC001125477846 759399655 /nfs/dbraw/zinc/39/96/55/759399655.db2.gz RGWVNJJDMHEPGY-UHFFFAOYSA-N -1 1 349.822 2.218 20 0 EEADMM Cc1cc(C)nc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125856573 764964200 /nfs/dbraw/zinc/96/42/00/764964200.db2.gz DATSOTVRRUKSPA-AWEZNQCLSA-N -1 1 343.431 2.451 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CC1 ZINC001089464168 769533167 /nfs/dbraw/zinc/53/31/67/769533167.db2.gz FXMNKLHKKYWJDF-ZDUSSCGKSA-N -1 1 349.479 2.053 20 0 EEADMM O=S(=O)([N-]Cc1nc2c(s1)CCC2)c1cccc(F)c1F ZINC000920992321 770921154 /nfs/dbraw/zinc/92/11/54/770921154.db2.gz SFFFXJQXOWUYFA-UHFFFAOYSA-N -1 1 330.381 2.389 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1cccc(F)c1F)c1ncccc1[O-] ZINC001027844264 773433617 /nfs/dbraw/zinc/43/36/17/773433617.db2.gz OTMLXJKOOZRIOY-ZDUSSCGKSA-N -1 1 347.365 2.460 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC000942758020 783146077 /nfs/dbraw/zinc/14/60/77/783146077.db2.gz LCQJXNXBOKXHHL-AWEZNQCLSA-N -1 1 343.383 2.065 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980434754 774635123 /nfs/dbraw/zinc/63/51/23/774635123.db2.gz IRLSFNONDQTRPD-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC000938811920 774707110 /nfs/dbraw/zinc/70/71/10/774707110.db2.gz LBXBCNWVMDWOHS-BIWSTMPVSA-N -1 1 343.427 2.040 20 0 EEADMM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)NCc1cccs1 ZINC000843688940 774822021 /nfs/dbraw/zinc/82/20/21/774822021.db2.gz LNLWDCWXXSTXBZ-QMMMGPOBSA-N -1 1 326.315 2.160 20 0 EEADMM O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cnc[nH]c1=O ZINC001027957618 775051156 /nfs/dbraw/zinc/05/11/56/775051156.db2.gz GCEUEVVYFKIBBR-CQSZACIVSA-N -1 1 346.818 2.230 20 0 EEADMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000921497042 775987695 /nfs/dbraw/zinc/98/76/95/775987695.db2.gz GAMUTYHEZPVJAB-SVRRBLITSA-N -1 1 328.192 2.446 20 0 EEADMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(F)c1 ZINC000060862508 790804818 /nfs/dbraw/zinc/80/48/18/790804818.db2.gz QCDBAXCCWQDKHB-XFFZJAGNSA-N -1 1 335.404 2.329 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nccc3nccnc32)Cc2ccccc2C1 ZINC001167932821 780970202 /nfs/dbraw/zinc/97/02/02/780970202.db2.gz YZXDWRJIZAWCRD-UHFFFAOYSA-N -1 1 342.295 2.110 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)/C(F)=C\C1CCCCC1 ZINC000816014149 783610911 /nfs/dbraw/zinc/61/09/11/783610911.db2.gz OMQQAWFUNJGJRD-NTEUORMPSA-N -1 1 348.378 2.245 20 0 EEADMM C[C@@H](Nc1ncc(F)cn1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001061840604 783758659 /nfs/dbraw/zinc/75/86/59/783758659.db2.gz RUJLEWZOLPEGDU-LLVKDONJSA-N -1 1 345.378 2.069 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCC[C@@H]2CCOC2)c(=O)[n-]1 ZINC000816439636 783987402 /nfs/dbraw/zinc/98/74/02/783987402.db2.gz FIDJJOQZHQHDEZ-NSHDSACASA-N -1 1 326.418 2.115 20 0 EEADMM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000816740383 784230819 /nfs/dbraw/zinc/23/08/19/784230819.db2.gz AVOABASYKMUEAG-UHFFFAOYSA-N -1 1 328.372 2.258 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000945591237 784415617 /nfs/dbraw/zinc/41/56/17/784415617.db2.gz TVDVPQXEBXYUKR-QWHCGFSZSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@@H](NC(=O)c1ccco1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945624363 784534897 /nfs/dbraw/zinc/53/48/97/784534897.db2.gz TVTHEIPGROBOMO-OLZOCXBDSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H](CSc1ccccc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472883 784641140 /nfs/dbraw/zinc/64/11/40/784641140.db2.gz DPBMBCCIZMPBEC-DGCLKSJQSA-N -1 1 349.485 2.245 20 0 EEADMM O=C(c1ccc2sccc2c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478346 784648355 /nfs/dbraw/zinc/64/83/55/784648355.db2.gz XJDBSQSRDNFOHN-NSHDSACASA-N -1 1 331.426 2.345 20 0 EEADMM O=C(c1ccc2c(c1)CCC=C2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479061 784648377 /nfs/dbraw/zinc/64/83/77/784648377.db2.gz IPZPEXSFVGEYDC-CQSZACIVSA-N -1 1 327.413 2.089 20 0 EEADMM O=C(C[C@H]1CCc2ccccc2C1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478779 784654047 /nfs/dbraw/zinc/65/40/47/784654047.db2.gz ZITRPZKNMHYGPH-SWLSCSKDSA-N -1 1 343.456 2.011 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCCC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945703332 784673024 /nfs/dbraw/zinc/67/30/24/784673024.db2.gz PAFGNOCOLQRATB-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccccc1C[C@H](C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481994 784688852 /nfs/dbraw/zinc/68/88/52/784688852.db2.gz MJFOAIYEAAXNOV-GXTWGEPZSA-N -1 1 331.445 2.003 20 0 EEADMM C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817490656 784793827 /nfs/dbraw/zinc/79/38/27/784793827.db2.gz SKIMTPVSFHRRCD-ADEWGFFLSA-N -1 1 326.318 2.279 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)C1=CCCC1 ZINC000945758119 784832688 /nfs/dbraw/zinc/83/26/88/784832688.db2.gz NBTWAWSHUGGHLM-UKRRQHHQSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C3)[nH]c2c1 ZINC000907809921 784877438 /nfs/dbraw/zinc/87/74/38/784877438.db2.gz DNQSYFDSBLGLGO-YNEHKIRRSA-N -1 1 327.384 2.298 20 0 EEADMM Cc1noc(C2([N-]S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 ZINC000907864617 784917817 /nfs/dbraw/zinc/91/78/17/784917817.db2.gz KERNDOAMOGBSIY-UHFFFAOYSA-N -1 1 347.318 2.364 20 0 EEADMM O=C(c1nsc2ccccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000907957859 784986679 /nfs/dbraw/zinc/98/66/79/784986679.db2.gz QUKDVTXWYCCVFG-SECBINFHSA-N -1 1 330.369 2.405 20 0 EEADMM CC(C)OC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000908487993 785470296 /nfs/dbraw/zinc/47/02/96/785470296.db2.gz CBTGFPRTEPTVTG-UHFFFAOYSA-N -1 1 339.335 2.112 20 0 EEADMM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccs1)N(C)C)C1CC1 ZINC000908745344 785684802 /nfs/dbraw/zinc/68/48/02/785684802.db2.gz ARXCBDUMCDUOAO-QWHCGFSZSA-N -1 1 339.461 2.388 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)[C@H](C)C(=O)[O-] ZINC000908814222 785747905 /nfs/dbraw/zinc/74/79/05/785747905.db2.gz OPYASJYCSVYRKB-YPMHNXCESA-N -1 1 327.450 2.246 20 0 EEADMM Cc1cc(C)cc(C[C@H](C)NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000908832688 785778548 /nfs/dbraw/zinc/77/85/48/785778548.db2.gz MZGQXTVZFXGCDL-RDJZCZTQSA-N -1 1 332.444 2.147 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908926828 785875583 /nfs/dbraw/zinc/87/55/83/785875583.db2.gz VGVMRJUYRQSUNI-CGXNLCPXSA-N -1 1 349.431 2.444 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000909722814 786200196 /nfs/dbraw/zinc/20/01/96/786200196.db2.gz BUWRALKLODYXIN-ZOBUZTSGSA-N -1 1 348.418 2.375 20 0 EEADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000909797886 786234689 /nfs/dbraw/zinc/23/46/89/786234689.db2.gz DQQOIGYQIJAWBQ-KCXAZCMYSA-N -1 1 334.391 2.112 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc2nn[nH]c21 ZINC000910087448 786438617 /nfs/dbraw/zinc/43/86/17/786438617.db2.gz FGZUTLYVVLNFCY-IUODEOHRSA-N -1 1 342.399 2.454 20 0 EEADMM CN(CC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000910098473 786446734 /nfs/dbraw/zinc/44/67/34/786446734.db2.gz NIRVCXFQTHWUNS-OWCLPIDISA-N -1 1 348.468 2.241 20 0 EEADMM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)CCc1cnc[nH]1 ZINC000910103765 786451332 /nfs/dbraw/zinc/45/13/32/786451332.db2.gz SPFPAOSRRPXTNU-GOSISDBHSA-N -1 1 327.384 2.031 20 0 EEADMM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)N(C)C ZINC000910220551 786531769 /nfs/dbraw/zinc/53/17/69/786531769.db2.gz OTKUELOLBKONNI-NSHDSACASA-N -1 1 330.331 2.307 20 0 EEADMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1coc(=O)c2ccccc12 ZINC000821053883 786600854 /nfs/dbraw/zinc/60/08/54/786600854.db2.gz MMUURIYLKZUXDU-UHFFFAOYSA-N -1 1 343.257 2.018 20 0 EEADMM Cc1cnc(CNC[C@@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])o1 ZINC001036539150 786605475 /nfs/dbraw/zinc/60/54/75/786605475.db2.gz BGEAMIQSJUZPQQ-TZMCWYRMSA-N -1 1 344.415 2.114 20 0 EEADMM CNC(=O)c1cccc(CNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001136423427 786627735 /nfs/dbraw/zinc/62/77/35/786627735.db2.gz HSOSNEPKQYETSQ-UHFFFAOYSA-N -1 1 335.363 2.230 20 0 EEADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CNC(=O)C[C@H]1C(F)(F)F ZINC000821147263 786635548 /nfs/dbraw/zinc/63/55/48/786635548.db2.gz BXMSOXDTWXOVJC-HTQZYQBOSA-N -1 1 336.697 2.299 20 0 EEADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000821381687 786701824 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Cc1oc2ncnc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2c1C ZINC000822552484 787262014 /nfs/dbraw/zinc/26/20/14/787262014.db2.gz AZLFVPATDXGYFU-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM Cc1oc2ncnc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2c1C ZINC000822552484 787262019 /nfs/dbraw/zinc/26/20/19/787262019.db2.gz AZLFVPATDXGYFU-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)c1ccc(C(=O)[O-])c(C)n1)c1ccco1 ZINC000911251939 787334488 /nfs/dbraw/zinc/33/44/88/787334488.db2.gz APYFJFVQCOXJSQ-HNNXBMFYSA-N -1 1 345.399 2.494 20 0 EEADMM C[C@@H](CNC(=O)C1(C(=O)[O-])CCCC1)N1CCc2ccccc2C1 ZINC000911303315 787367037 /nfs/dbraw/zinc/36/70/37/787367037.db2.gz INUMKUYJEWLTOG-AWEZNQCLSA-N -1 1 330.428 2.194 20 0 EEADMM CCOc1cc(C(=O)N[C@@H]2CCCC23OCCO3)cc(Cl)c1[O-] ZINC000912632333 788277312 /nfs/dbraw/zinc/27/73/12/788277312.db2.gz HRAVGZPMORALGB-CYBMUJFWSA-N -1 1 341.791 2.470 20 0 EEADMM CCCc1ccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)s1 ZINC000912858479 788414708 /nfs/dbraw/zinc/41/47/08/788414708.db2.gz QUWNVGWHCBJTJK-JTQLQIEISA-N -1 1 325.463 2.438 20 0 EEADMM CCCOc1cccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912860345 788419003 /nfs/dbraw/zinc/41/90/03/788419003.db2.gz MNABRQYHRVWHPA-ZDUSSCGKSA-N -1 1 335.433 2.213 20 0 EEADMM CSCC[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1nn[n-]n1 ZINC000912860768 788419794 /nfs/dbraw/zinc/41/97/94/788419794.db2.gz XRNFLKCNTYCMDK-QMMMGPOBSA-N -1 1 340.478 2.178 20 0 EEADMM CSCC[C@H](NC(=O)C[C@@]1(C)CC1(Cl)Cl)c1nn[n-]n1 ZINC000912862828 788425803 /nfs/dbraw/zinc/42/58/03/788425803.db2.gz DKQAREXLHOPIOS-XVKPBYJWSA-N -1 1 338.264 2.084 20 0 EEADMM CSCC[C@H](NC(=O)c1coc2c1cccc2C)c1nn[n-]n1 ZINC000912863048 788426011 /nfs/dbraw/zinc/42/60/11/788426011.db2.gz JVCSUWODYKPXHE-LBPRGKRZSA-N -1 1 331.401 2.479 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000325455865 788703344 /nfs/dbraw/zinc/70/33/44/788703344.db2.gz PVMGOPVUVIUSQP-UHFFFAOYSA-N -1 1 348.380 2.007 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000843926190 788744000 /nfs/dbraw/zinc/74/40/00/788744000.db2.gz JQNQMSVJSRTEBU-STQMWFEESA-N -1 1 332.429 2.049 20 0 EEADMM O=C(C1CCC(c2ccccc2)CC1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495588 788930123 /nfs/dbraw/zinc/93/01/23/788930123.db2.gz LNOJVBOXCQWMMD-UYSNPLJNSA-N -1 1 341.415 2.074 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CCC2CCCC2)C1 ZINC001005947660 788975135 /nfs/dbraw/zinc/97/51/35/788975135.db2.gz AYOKGXWOZQFJTG-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)N2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)cs1 ZINC001005953654 788999304 /nfs/dbraw/zinc/99/93/04/788999304.db2.gz VDXJFUDDSDYCKD-NSHDSACASA-N -1 1 345.424 2.048 20 0 EEADMM O=C(NC1CN(Cc2ccc(Cl)cc2F)C1)c1ncccc1[O-] ZINC001030239358 789862540 /nfs/dbraw/zinc/86/25/40/789862540.db2.gz GRGCNVUTRRGFDS-UHFFFAOYSA-N -1 1 335.766 2.194 20 0 EEADMM C[C@@H](c1ccc2c(c1)CCC2)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030242184 789866265 /nfs/dbraw/zinc/86/62/65/789866265.db2.gz QVZCILLUNVMTNU-ZDUSSCGKSA-N -1 1 337.423 2.451 20 0 EEADMM CC[C@H](COC(=O)c1coc(S(=O)(=O)[N-]C)c1)CC(F)F ZINC000845759790 789936079 /nfs/dbraw/zinc/93/60/79/789936079.db2.gz ZUOSBNJTWMDANO-QMMMGPOBSA-N -1 1 325.333 2.026 20 0 EEADMM O=C([O-])c1ccsc1CN1CCN(CCc2ccncc2)CC1 ZINC001144677748 790031388 /nfs/dbraw/zinc/03/13/88/790031388.db2.gz AYRJYEAPPVDDNO-UHFFFAOYSA-N -1 1 331.441 2.202 20 0 EEADMM CCc1cc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001060856738 790116375 /nfs/dbraw/zinc/11/63/75/790116375.db2.gz QIDSEMOWFGOMOX-CYBMUJFWSA-N -1 1 341.415 2.022 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2cnn(C)c2)c1 ZINC001147284156 791781822 /nfs/dbraw/zinc/78/18/22/791781822.db2.gz GEDBWUCZANMYHI-UHFFFAOYSA-N -1 1 326.150 2.149 20 0 EEADMM C[C@@H](Nc1ncc(F)cn1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881774 791878440 /nfs/dbraw/zinc/87/84/40/791878440.db2.gz YSMOETUNKFTRHB-VXGBXAGGSA-N -1 1 345.378 2.069 20 0 EEADMM CCSc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccn1 ZINC000064018311 792114810 /nfs/dbraw/zinc/11/48/10/792114810.db2.gz XMSRQWMCUAQTJN-UHFFFAOYSA-N -1 1 344.392 2.307 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccncc3F)cc2)[n-]1 ZINC001148335600 792346954 /nfs/dbraw/zinc/34/69/54/792346954.db2.gz BMJHLRADQXNJBY-UHFFFAOYSA-N -1 1 326.331 2.263 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3nccc(Cl)n3)cc2)[n-]1 ZINC001148339729 792348646 /nfs/dbraw/zinc/34/86/46/792348646.db2.gz FZQUYJFWYDRDGN-UHFFFAOYSA-N -1 1 343.774 2.173 20 0 EEADMM Cc1nsc(NC[C@H]2CCCC[C@@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064171591 792590899 /nfs/dbraw/zinc/59/08/99/792590899.db2.gz OOPCBIHOFWWLKU-NEPJUHHUSA-N -1 1 347.444 2.348 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064229220 792714089 /nfs/dbraw/zinc/71/40/89/792714089.db2.gz OGVCNDMUWJBUJL-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])c(Br)c(O)c2)CCO1 ZINC001148995770 792815783 /nfs/dbraw/zinc/81/57/83/792815783.db2.gz HPJWYBBDPHGIIR-APPZFPTMSA-N -1 1 330.178 2.158 20 0 EEADMM CCc1ccoc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064407973 792999324 /nfs/dbraw/zinc/99/93/24/792999324.db2.gz NLKHUBMESSLEMV-UHFFFAOYSA-N -1 1 343.383 2.025 20 0 EEADMM Cc1cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H](C)C2)nc(C)n1 ZINC001064767775 793697698 /nfs/dbraw/zinc/69/76/98/793697698.db2.gz ZDALXKROOXHHRU-TZMCWYRMSA-N -1 1 341.415 2.299 20 0 EEADMM Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742635 794202767 /nfs/dbraw/zinc/20/27/67/794202767.db2.gz MQVBDBFETVJDBK-UHFFFAOYSA-N -1 1 340.362 2.215 20 0 EEADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743828 794207050 /nfs/dbraw/zinc/20/70/50/794207050.db2.gz MZSZXQHTBNNVQK-QEJZJMRPSA-N -1 1 335.452 2.280 20 0 EEADMM O=C(Cc1coc2c1ccc(F)c2F)N1CCC(c2nn[n-]n2)CC1 ZINC000913745558 794213242 /nfs/dbraw/zinc/21/32/42/794213242.db2.gz JMUOZWPMXQFLRN-UHFFFAOYSA-N -1 1 347.325 2.173 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2nccc3ccccc32)CC1 ZINC000913746870 794224736 /nfs/dbraw/zinc/22/47/36/794224736.db2.gz KBZMBGUWZGTUEL-UHFFFAOYSA-N -1 1 348.410 2.186 20 0 EEADMM CC(C)c1ccccc1C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999305283 794258090 /nfs/dbraw/zinc/25/80/90/794258090.db2.gz RFPFUDZAIGNMNJ-ZDUSSCGKSA-N -1 1 343.431 2.028 20 0 EEADMM O=C(NCC1(Nc2cc(F)ncn2)CCCCC1)c1ncccc1[O-] ZINC001093389024 795135825 /nfs/dbraw/zinc/13/58/25/795135825.db2.gz VEQCYKXNSUXYQN-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM CCCc1nsc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296538 795361558 /nfs/dbraw/zinc/36/15/58/795361558.db2.gz VJHLSMLBUUIXDW-SNVBAGLBSA-N -1 1 335.433 2.212 20 0 EEADMM CC(C)c1nccc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296539 795361826 /nfs/dbraw/zinc/36/18/26/795361826.db2.gz VJWHVGMGKFWVAF-GFCCVEGCSA-N -1 1 329.404 2.321 20 0 EEADMM O=C(NCCNc1ccnc(-c2ccccc2)n1)c1ncccc1[O-] ZINC001093562893 795419645 /nfs/dbraw/zinc/41/96/45/795419645.db2.gz LZEIPUMPSLAUTR-UHFFFAOYSA-N -1 1 335.367 2.086 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCCC2=O)o1 ZINC000915418109 796005817 /nfs/dbraw/zinc/00/58/17/796005817.db2.gz XOVXPSWNTPEISB-LLVKDONJSA-N -1 1 343.401 2.025 20 0 EEADMM C[C@@H](CCNC(=O)CCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001078335090 796286213 /nfs/dbraw/zinc/28/62/13/796286213.db2.gz BZMKFBQDSLUKCM-AWEZNQCLSA-N -1 1 341.411 2.045 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCCO)cc2)cc1C ZINC000785501667 806503751 /nfs/dbraw/zinc/50/37/51/806503751.db2.gz CNPXJXCEMJYXSB-UHFFFAOYSA-N -1 1 349.408 2.253 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001002144120 797621463 /nfs/dbraw/zinc/62/14/63/797621463.db2.gz AXGMAKWKMGUZMG-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](Nc2cccc(F)n2)C1)c1ncccc1[O-] ZINC001061077148 797974144 /nfs/dbraw/zinc/97/41/44/797974144.db2.gz YMBFLMFKCKWMBU-NWDGAFQWSA-N -1 1 330.363 2.474 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000994463159 798034577 /nfs/dbraw/zinc/03/45/77/798034577.db2.gz XRBLHSYGZJGRLH-MCIONIFRSA-N -1 1 345.443 2.048 20 0 EEADMM O=C(/C=C/C1CC1)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060701980 798339945 /nfs/dbraw/zinc/33/99/45/798339945.db2.gz ZEDPXVKHSFKLAD-KTRQRASZSA-N -1 1 343.427 2.158 20 0 EEADMM Cc1ccc(-c2nc([N-]C(=O)c3nnc4ccccc4n3)n[nH]2)cc1 ZINC000352161517 798382821 /nfs/dbraw/zinc/38/28/21/798382821.db2.gz CQCDSUTYNSQWSV-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM COc1ccc(CC[N@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)cc1 ZINC001038082105 798439086 /nfs/dbraw/zinc/43/90/86/798439086.db2.gz XBOHUKFMBZHSGF-MRXNPFEDSA-N -1 1 340.423 2.448 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CC12CCOCC2 ZINC000786460868 806791388 /nfs/dbraw/zinc/79/13/88/806791388.db2.gz XNWXWWQSAOFURL-AWEZNQCLSA-N -1 1 330.336 2.359 20 0 EEADMM COc1cc(CCC(=O)Nc2cc(=O)[n-]c(SC)n2)cc(OC)c1 ZINC001180133100 800263897 /nfs/dbraw/zinc/26/38/97/800263897.db2.gz OTQZOJYLGJJCPD-UHFFFAOYSA-N -1 1 349.412 2.493 20 0 EEADMM O=C(NC[C@@H]1CCCN1c1cnc2ccccc2n1)c1ncccc1[O-] ZINC001061344780 800442257 /nfs/dbraw/zinc/44/22/57/800442257.db2.gz VYDPMBGPXIEMQG-ZDUSSCGKSA-N -1 1 349.394 2.129 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cc(C)cc(C)c2)c1[O-] ZINC001085544295 800741326 /nfs/dbraw/zinc/74/13/26/800741326.db2.gz OFKMSGZMGRWZDL-MRXNPFEDSA-N -1 1 342.443 2.387 20 0 EEADMM CC[C@@H]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001004021737 800817322 /nfs/dbraw/zinc/81/73/22/800817322.db2.gz CSCNRXPEDGSDPU-HUUCEWRRSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001181781799 800902040 /nfs/dbraw/zinc/90/20/40/800902040.db2.gz GAZCQXSPYYLZGV-SSDOTTSWSA-N -1 1 333.735 2.118 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(CC=C(Cl)Cl)C1 ZINC001033036371 801029750 /nfs/dbraw/zinc/02/97/50/801029750.db2.gz PTVKASCCSFJCCF-SNVBAGLBSA-N -1 1 330.215 2.253 20 0 EEADMM CSc1nc(NC(=O)[C@H](C)Cc2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC001182403060 801153913 /nfs/dbraw/zinc/15/39/13/801153913.db2.gz BOIODGYWUUPURF-SECBINFHSA-N -1 1 347.396 2.450 20 0 EEADMM C[C@H](CCCCNc1ncc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001090078999 801219195 /nfs/dbraw/zinc/21/91/95/801219195.db2.gz AHFJJALHXCZMBL-LLVKDONJSA-N -1 1 333.367 2.117 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccccc1 ZINC001004409406 801974023 /nfs/dbraw/zinc/97/40/23/801974023.db2.gz DJKMPZQMVPUUDM-DZGCQCFKSA-N -1 1 339.395 2.068 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccccc1 ZINC001004409410 801974126 /nfs/dbraw/zinc/97/41/26/801974126.db2.gz DJKMPZQMVPUUDM-UKRRQHHQSA-N -1 1 339.395 2.068 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC3)cc1C(=O)[O-] ZINC001184697024 802132457 /nfs/dbraw/zinc/13/24/57/802132457.db2.gz NWAUGCZKOZAQSD-UHFFFAOYSA-N -1 1 333.365 2.429 20 0 EEADMM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1cnc(Cl)nc1 ZINC001185052781 802304918 /nfs/dbraw/zinc/30/49/18/802304918.db2.gz RUEZKNNSNVLWHW-UHFFFAOYSA-N -1 1 334.184 2.077 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cccc3ocnc32)cc1C(=O)[O-] ZINC001185306957 802453236 /nfs/dbraw/zinc/45/32/36/802453236.db2.gz MKYGPYLFRRYHTE-UHFFFAOYSA-N -1 1 348.336 2.335 20 0 EEADMM 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/nfs/dbraw/zinc/93/62/06/468936206.db2.gz QYCCTBMKJCCPGR-GHMZBOCLSA-N -1 1 333.413 2.489 20 0 EEADMM NC(=O)C[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000614626480 468993559 /nfs/dbraw/zinc/99/35/59/468993559.db2.gz NCVKQEUYZVDYMD-LBPRGKRZSA-N -1 1 327.384 2.058 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2)c(F)c1 ZINC000588672929 469153986 /nfs/dbraw/zinc/15/39/86/469153986.db2.gz RGDYXAQPIYSCHQ-UHFFFAOYSA-N -1 1 327.352 2.494 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CCOCCC(C)C)c(F)c1 ZINC000588683548 469155168 /nfs/dbraw/zinc/15/51/68/469155168.db2.gz VFAFFSRDXVBPDE-UHFFFAOYSA-N -1 1 337.388 2.314 20 0 EEADMM Cc1noc([C@H](C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)n1 ZINC000588681738 469156126 /nfs/dbraw/zinc/15/61/26/469156126.db2.gz MFSNRSNZVMNHHN-JTQLQIEISA-N -1 1 348.384 2.214 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(-c2ccccn2)c1C(C)C ZINC000615226913 469185830 /nfs/dbraw/zinc/18/58/30/469185830.db2.gz MSNDBZGLVDKCRM-UHFFFAOYSA-N -1 1 326.360 2.380 20 0 EEADMM Cc1cccc(C)c1OCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000618488268 469366646 /nfs/dbraw/zinc/36/66/46/469366646.db2.gz OYLQJNDVOZUJRN-INIZCTEOSA-N -1 1 337.383 2.101 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622609663 469449595 /nfs/dbraw/zinc/44/95/95/469449595.db2.gz DWHKHJGIAQTSBT-LRDDRELGSA-N -1 1 339.374 2.423 20 0 EEADMM CCCCNC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[n-]2)c1 ZINC000618942985 469478030 /nfs/dbraw/zinc/47/80/30/469478030.db2.gz MTUMCOZAYYKJBU-UHFFFAOYSA-N -1 1 345.403 2.248 20 0 EEADMM O=C(N[C@@H]1CCO[C@H]1c1ccnn1CC1CC1)c1ccc([O-])c(F)c1 ZINC000616792796 469505178 /nfs/dbraw/zinc/50/51/78/469505178.db2.gz SJQTWQISWOSFOE-RHSMWYFYSA-N -1 1 345.374 2.398 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ncsc3C(C)C)nc2n1 ZINC000622997654 469518304 /nfs/dbraw/zinc/51/83/04/469518304.db2.gz GRHOHOIVTRKCHF-UHFFFAOYSA-N -1 1 346.416 2.202 20 0 EEADMM CCOc1ccc(NC(=O)[C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000629500582 469565440 /nfs/dbraw/zinc/56/54/40/469565440.db2.gz ITGXUTNKZIXUQS-HEHGZKQESA-N -1 1 334.416 2.455 20 0 EEADMM Cn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000619320164 469584373 /nfs/dbraw/zinc/58/43/73/469584373.db2.gz XDCBBFHZPBSTPX-IINYFYTJSA-N -1 1 335.791 2.287 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000613250922 469669665 /nfs/dbraw/zinc/66/96/65/469669665.db2.gz VULSKSHHEKAZDT-ZWNOBZJWSA-N -1 1 344.408 2.339 20 0 EEADMM C[C@@H](CN(C)C(=O)Cc1nc(-c2ccccc2)cs1)c1nn[n-]n1 ZINC000613475225 469719717 /nfs/dbraw/zinc/71/97/17/469719717.db2.gz NPPAFAAGQZYBEM-NSHDSACASA-N -1 1 342.428 2.128 20 0 EEADMM COC(=O)COc1cccc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000613510113 469726684 /nfs/dbraw/zinc/72/66/84/469726684.db2.gz IWZMYCMMGBVXPY-UHFFFAOYSA-N -1 1 333.315 2.013 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CC1 ZINC000630221363 469768293 /nfs/dbraw/zinc/76/82/93/469768293.db2.gz YQIFTQDOVOJFNT-WWGRRREGSA-N -1 1 344.402 2.209 20 0 EEADMM Cc1cccc2c(CC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000630221680 469769686 /nfs/dbraw/zinc/76/96/86/469769686.db2.gz AKNJREBNYONHKE-AWEZNQCLSA-N -1 1 343.427 2.026 20 0 EEADMM CC(C)(C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1F ZINC000630224638 469771345 /nfs/dbraw/zinc/77/13/45/469771345.db2.gz BQIMMFJRFMROFZ-UHFFFAOYSA-N -1 1 336.407 2.111 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1C(C)C ZINC000630224547 469771827 /nfs/dbraw/zinc/77/18/27/469771827.db2.gz OZQJXHZHAIQKGI-CYBMUJFWSA-N -1 1 335.448 2.307 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)CCC1 ZINC000630226788 469773354 /nfs/dbraw/zinc/77/33/54/469773354.db2.gz GDSWHEIZCACBPB-UHFFFAOYSA-N -1 1 344.455 2.424 20 0 EEADMM C[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630243046 469780325 /nfs/dbraw/zinc/78/03/25/469780325.db2.gz WBWBSTQRYJQTNX-JTQLQIEISA-N -1 1 331.347 2.011 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CCCN(C(=O)C2CC2)CC1 ZINC000613766004 469786873 /nfs/dbraw/zinc/78/68/73/469786873.db2.gz QDZMSKOAACJJCO-UHFFFAOYSA-N -1 1 339.395 2.025 20 0 EEADMM COCC(C)(C)N(C)C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000627502587 469919452 /nfs/dbraw/zinc/91/94/52/469919452.db2.gz CEJNALLAYLMSJA-UHFFFAOYSA-N -1 1 348.399 2.042 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614474132 469949949 /nfs/dbraw/zinc/94/99/49/469949949.db2.gz QKUYOOFRKQKDTN-UHFFFAOYSA-N -1 1 328.275 2.029 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2nnc3n2CCCC3)CC1 ZINC000624480324 469951189 /nfs/dbraw/zinc/95/11/89/469951189.db2.gz UKQVANIDGXIIRI-UHFFFAOYSA-N -1 1 340.427 2.415 20 0 EEADMM CCO[C@@H](CS(=O)(=O)[N-][C@H](COC)c1ccc(CC)o1)C1CC1 ZINC000625014797 470060513 /nfs/dbraw/zinc/06/05/13/470060513.db2.gz QBEZTOFCSXUHKA-ZBFHGGJFSA-N -1 1 345.461 2.264 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cccnc1OCC(F)F)C(F)F ZINC000625233115 470100079 /nfs/dbraw/zinc/10/00/79/470100079.db2.gz NZGWSVOXHRCIKM-ZETCQYMHSA-N -1 1 330.303 2.048 20 0 EEADMM COc1cc(C[N-]S(=O)(=O)c2conc2C)ccc1OC(F)F ZINC000631680835 470177807 /nfs/dbraw/zinc/17/78/07/470177807.db2.gz UKHVBLDBPNHTEA-UHFFFAOYSA-N -1 1 348.327 2.072 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000632235097 470209740 /nfs/dbraw/zinc/20/97/40/470209740.db2.gz MIZAPLFJUMPLJU-UKRRQHHQSA-N -1 1 343.445 2.273 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCCc2ncccc2C)c1 ZINC000632409621 470227163 /nfs/dbraw/zinc/22/71/63/470227163.db2.gz CYPQQARLTCDLSA-UHFFFAOYSA-N -1 1 336.413 2.015 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CCCCCC(C)=O)c(F)c1 ZINC000632415645 470228035 /nfs/dbraw/zinc/22/80/35/470228035.db2.gz KQAODQUHYLVGBL-UHFFFAOYSA-N -1 1 335.372 2.401 20 0 EEADMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000632428095 470229834 /nfs/dbraw/zinc/22/98/34/470229834.db2.gz YZSKEEXKQCZJDC-RKDXNWHRSA-N -1 1 341.355 2.055 20 0 EEADMM COCc1csc(CNS(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000632558761 470245499 /nfs/dbraw/zinc/24/54/99/470245499.db2.gz 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ZINC000633368114 470441011 /nfs/dbraw/zinc/44/10/11/470441011.db2.gz PKLUUSUFOHPHMS-WFASDCNBSA-N -1 1 349.818 2.358 20 0 EEADMM O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000649082656 470452722 /nfs/dbraw/zinc/45/27/22/470452722.db2.gz WQSMFZUEXJCZET-CQSZACIVSA-N -1 1 342.370 2.310 20 0 EEADMM Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633593649 470521802 /nfs/dbraw/zinc/52/18/02/470521802.db2.gz GJRCQQGFCUBVKH-PBHICJAKSA-N -1 1 349.818 2.276 20 0 EEADMM COc1ccc([C@@H]2CCN(Cc3cc(C(=O)[O-])nn3C)C2)cc1F ZINC000635315356 470531535 /nfs/dbraw/zinc/53/15/35/470531535.db2.gz VJKXLCCUBYUVDO-GFCCVEGCSA-N -1 1 333.363 2.256 20 0 EEADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000635314621 470531806 /nfs/dbraw/zinc/53/18/06/470531806.db2.gz HUGJWEPHGZOFKM-SECBINFHSA-N -1 1 325.319 2.001 20 0 EEADMM NS(=O)(=O)c1ccc2c(c1)N(Cc1cccc([O-])c1Cl)CC2 ZINC000646163881 470551575 /nfs/dbraw/zinc/55/15/75/470551575.db2.gz AOWGPTSUZCRXJE-UHFFFAOYSA-N -1 1 338.816 2.256 20 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ZINC000764340428 577734534 /nfs/dbraw/zinc/73/45/34/577734534.db2.gz KFLNARNHBFYWLF-VIFPVBQESA-N -1 1 344.205 2.472 20 0 EEADMM O=C(CCC1CCCCC1)[N-]O[C@H]1CCN(C2CCOCC2)C1=O ZINC000751522732 577754807 /nfs/dbraw/zinc/75/48/07/577754807.db2.gz RJZSXBAOSIZLPV-INIZCTEOSA-N -1 1 338.448 2.175 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc([S@@](C)=O)cc1 ZINC000752762450 577775762 /nfs/dbraw/zinc/77/57/62/577775762.db2.gz LSBWAONVVMSXAF-XMMPIXPASA-N -1 1 347.440 2.281 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(F)cc2)co1 ZINC000756400402 577843449 /nfs/dbraw/zinc/84/34/49/577843449.db2.gz IHNNOTGCDPXLON-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)CCc2ccccc2)co1 ZINC000756406010 577843527 /nfs/dbraw/zinc/84/35/27/577843527.db2.gz TWOCNTOBVKOYQD-GFCCVEGCSA-N -1 1 337.397 2.366 20 0 EEADMM Cc1ccc(O)c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000756784352 577850200 /nfs/dbraw/zinc/85/02/00/577850200.db2.gz DWGQVCXWTQLQTI-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(-c2ccccc2)on1 ZINC000749320300 577974566 /nfs/dbraw/zinc/97/45/66/577974566.db2.gz LCORSZPAQZTZDD-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C([O-])C1(NCC(=O)Nc2nc3ccc(F)cc3s2)CCCC1 ZINC000739306064 578047695 /nfs/dbraw/zinc/04/76/95/578047695.db2.gz DMWFCBLQMSBTFO-UHFFFAOYSA-N -1 1 337.376 2.361 20 0 EEADMM O=C([O-])C1(NC(=O)CNC2(c3ccc(F)cc3)CC2)CCCCC1 ZINC000739310321 578047914 /nfs/dbraw/zinc/04/79/14/578047914.db2.gz ZUOLBVYTMRQMDG-UHFFFAOYSA-N -1 1 334.391 2.308 20 0 EEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000739715401 578065363 /nfs/dbraw/zinc/06/53/63/578065363.db2.gz BKVHCCRZVTVBCG-AWEZNQCLSA-N -1 1 343.383 2.173 20 0 EEADMM O=S(=O)(Cc1cccc2cccnc21)[N-]Cc1nc(C2CC2)no1 ZINC000735497613 578155956 /nfs/dbraw/zinc/15/59/56/578155956.db2.gz IZDUPJBEYXFBEY-UHFFFAOYSA-N -1 1 344.396 2.115 20 0 EEADMM CC(C)(C)c1cccc(OCCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC000735652459 578162589 /nfs/dbraw/zinc/16/25/89/578162589.db2.gz LVOYTNZEEAFNNF-UHFFFAOYSA-N -1 1 327.392 2.225 20 0 EEADMM CC[C@@H](C)CN(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000736880159 578228234 /nfs/dbraw/zinc/22/82/34/578228234.db2.gz MQWDMYZUMDTRIY-LLVKDONJSA-N -1 1 336.388 2.088 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(n2c(C)ccc2C)CC1)C(=O)[O-] ZINC000736880808 578228263 /nfs/dbraw/zinc/22/82/63/578228263.db2.gz ZJCFBUYNDLUDDQ-FZKQIMNGSA-N -1 1 349.475 2.357 20 0 EEADMM CC[C@](NCc1cc(=O)n2ccsc2n1)(C(=O)[O-])c1ccccc1 ZINC000736918545 578229531 /nfs/dbraw/zinc/22/95/31/578229531.db2.gz UDACALLHYJNYNI-QGZVFWFLSA-N -1 1 343.408 2.236 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1C=CCCC1 ZINC000737201882 578243536 /nfs/dbraw/zinc/24/35/36/578243536.db2.gz XIJLRJGCUZTTQI-GFCCVEGCSA-N -1 1 343.387 2.169 20 0 EEADMM CCc1cc(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000737253967 578246350 /nfs/dbraw/zinc/24/63/50/578246350.db2.gz MALBLHXYNFJZPI-UHFFFAOYSA-N -1 1 332.360 2.147 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000737301985 578249239 /nfs/dbraw/zinc/24/92/39/578249239.db2.gz ZQVWYNFYKNZWMF-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM CN(Cc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000737485675 578260284 /nfs/dbraw/zinc/26/02/84/578260284.db2.gz ANLQJFDFWIYDQR-UHFFFAOYSA-N -1 1 339.348 2.131 20 0 EEADMM O=C([O-])[C@]1(F)CCN(CCOc2cccc(Br)c2)C1 ZINC000833174133 601445910 /nfs/dbraw/zinc/44/59/10/601445910.db2.gz BGOYSVGWSNRXCG-ZDUSSCGKSA-N -1 1 332.169 2.327 20 0 EEADMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821066645 599118636 /nfs/dbraw/zinc/11/86/36/599118636.db2.gz VPGUUDPZKMPPJP-HNNXBMFYSA-N -1 1 344.419 2.393 20 0 EEADMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821066645 599118639 /nfs/dbraw/zinc/11/86/39/599118639.db2.gz VPGUUDPZKMPPJP-HNNXBMFYSA-N -1 1 344.419 2.393 20 0 EEADMM CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000818500479 597244606 /nfs/dbraw/zinc/24/46/06/597244606.db2.gz LWWWKDAVGWGBAM-LBPRGKRZSA-N -1 1 348.424 2.144 20 0 EEADMM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Br)c1O ZINC000821508993 597458053 /nfs/dbraw/zinc/45/80/53/597458053.db2.gz ATWGGZCHUGZGGT-SNVBAGLBSA-N -1 1 328.162 2.234 20 0 EEADMM CC(C)Cn1ccnc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820108752 607326953 /nfs/dbraw/zinc/32/69/53/607326953.db2.gz QUGXFVMRXUDXGV-UHFFFAOYSA-N -1 1 338.828 2.441 20 0 EEADMM CC(C)Cn1ccnc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820108752 607326954 /nfs/dbraw/zinc/32/69/54/607326954.db2.gz QUGXFVMRXUDXGV-UHFFFAOYSA-N -1 1 338.828 2.441 20 0 EEADMM OC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCCCC1 ZINC000823707314 607327890 /nfs/dbraw/zinc/32/78/90/607327890.db2.gz ZGEDFWLEJUOEOA-KRWDZBQOSA-N -1 1 338.415 2.190 20 0 EEADMM OC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCCCC1 ZINC000823707314 607327891 /nfs/dbraw/zinc/32/78/91/607327891.db2.gz ZGEDFWLEJUOEOA-KRWDZBQOSA-N -1 1 338.415 2.190 20 0 EEADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548046 599310163 /nfs/dbraw/zinc/31/01/63/599310163.db2.gz RTWPKZXCPKZQRZ-IZZDOVSWSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548046 599310165 /nfs/dbraw/zinc/31/01/65/599310165.db2.gz RTWPKZXCPKZQRZ-IZZDOVSWSA-N -1 1 343.249 2.082 20 0 EEADMM O=C(CCc1ccc(-c2nn[nH]n2)cc1)Nc1c([O-])cccc1F ZINC000822978967 599331229 /nfs/dbraw/zinc/33/12/29/599331229.db2.gz UJTIPBGZQSKRHL-UHFFFAOYSA-N -1 1 327.319 2.283 20 0 EEADMM COc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1NC(C)=O ZINC000821723566 599412123 /nfs/dbraw/zinc/41/21/23/599412123.db2.gz FKLZQNXDDMHGBE-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM COc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1NC(C)=O ZINC000821723566 599412125 /nfs/dbraw/zinc/41/21/25/599412125.db2.gz FKLZQNXDDMHGBE-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(-c3cccs3)[nH]n1)CC2 ZINC000262079092 600265326 /nfs/dbraw/zinc/26/53/26/600265326.db2.gz GPRBUJFGDWRYAZ-JTQLQIEISA-N -1 1 331.397 2.465 20 0 EEADMM CCCN(CCOc1ccc(C(=O)[O-])cc1Cl)CC(=O)N(C)C ZINC000829492147 600819077 /nfs/dbraw/zinc/81/90/77/600819077.db2.gz UOXAUUATTAKTOQ-UHFFFAOYSA-N -1 1 342.823 2.217 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCN(CC3CCCCC3)CC2)ccn1 ZINC000833296219 601245703 /nfs/dbraw/zinc/24/57/03/601245703.db2.gz OFMQSQDBNOAAFB-UHFFFAOYSA-N -1 1 331.416 2.118 20 0 EEADMM COC[C@]1(C)CC(=O)N(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])C1 ZINC000831661108 601300890 /nfs/dbraw/zinc/30/08/90/601300890.db2.gz ZPBUOUQJMCTNAL-HNAYVOBHSA-N -1 1 348.443 2.052 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000831527109 601539562 /nfs/dbraw/zinc/53/95/62/601539562.db2.gz SCRMUNHNOXWBNO-RDTXWAMCSA-N -1 1 334.416 2.459 20 0 EEADMM O=C([O-])CCN(CC[C@@H]1CCOC1=O)Cc1cccc(F)c1F ZINC000833232710 601549486 /nfs/dbraw/zinc/54/94/86/601549486.db2.gz HRYOFPRGGUFKGG-LLVKDONJSA-N -1 1 327.327 2.195 20 0 EEADMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000818787969 601593738 /nfs/dbraw/zinc/59/37/38/601593738.db2.gz KLKZQLVYZZTCGZ-LBPRGKRZSA-N -1 1 333.413 2.140 20 0 EEADMM CN(C)[C@H](CNC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000830581866 601683008 /nfs/dbraw/zinc/68/30/08/601683008.db2.gz SLYMJTBRSIVQRD-CYBMUJFWSA-N -1 1 341.839 2.353 20 0 EEADMM COc1ccc([C@@H](NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C2CC2)cc1 ZINC000832244327 601874624 /nfs/dbraw/zinc/87/46/24/601874624.db2.gz CMKBRAMZWSEKBR-IRXDYDNUSA-N -1 1 348.443 2.351 20 0 EEADMM CC[C@@H](C)CN(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828746643 601876568 /nfs/dbraw/zinc/87/65/68/601876568.db2.gz GZOJBZATORRVPP-GFCCVEGCSA-N -1 1 333.388 2.089 20 0 EEADMM CC(=O)Nc1ccc(Cl)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824000109 607548617 /nfs/dbraw/zinc/54/86/17/607548617.db2.gz UWNTWKYKKPPLTE-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(=O)Nc1ccc(Cl)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824000109 607548618 /nfs/dbraw/zinc/54/86/18/607548618.db2.gz UWNTWKYKKPPLTE-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(C)Cc1nnc(NC(=O)CNC2(C(=O)[O-])CCCCC2)s1 ZINC000819992752 604471107 /nfs/dbraw/zinc/47/11/07/604471107.db2.gz BTMYQULCBRUPPP-UHFFFAOYSA-N -1 1 340.449 2.052 20 0 EEADMM C[C@@H](c1ccccn1)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833550429 604565078 /nfs/dbraw/zinc/56/50/78/604565078.db2.gz VWDOSLJPOFTCAE-DZGCQCFKSA-N -1 1 330.384 2.213 20 0 EEADMM COc1cc(OC)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(OC)c1 ZINC000405371991 604649260 /nfs/dbraw/zinc/64/92/60/604649260.db2.gz QINZUDBZCAEWPA-AWEZNQCLSA-N -1 1 335.400 2.399 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000833770689 604762737 /nfs/dbraw/zinc/76/27/37/604762737.db2.gz LOXHCBLDDPUBAQ-LBPRGKRZSA-N -1 1 335.372 2.393 20 0 EEADMM C[C@H](CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833514839 605047526 /nfs/dbraw/zinc/04/75/26/605047526.db2.gz CFKAPGRESIRDKB-CVEARBPZSA-N -1 1 347.459 2.371 20 0 EEADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833612534 605142592 /nfs/dbraw/zinc/14/25/92/605142592.db2.gz UCAOETPCJWBXAB-KNCOVGOOSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccccc2cc1O ZINC000833626161 605159447 /nfs/dbraw/zinc/15/94/47/605159447.db2.gz OYLJUXHIWURRMX-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1C(F)(F)F ZINC000833627253 605159800 /nfs/dbraw/zinc/15/98/00/605159800.db2.gz VMPUTDLPVJVIIN-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2F)CCN1CCC(=O)[O-] ZINC000833617922 605278122 /nfs/dbraw/zinc/27/81/22/605278122.db2.gz ITJCKJIQDGAODS-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC000833640510 605597311 /nfs/dbraw/zinc/59/73/11/605597311.db2.gz ZFPNVGKMLYLVEV-DCGLDWPTSA-N -1 1 336.432 2.270 20 0 EEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820641479 606279391 /nfs/dbraw/zinc/27/93/91/606279391.db2.gz CTZOCYNTQNGLLN-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820641479 606279393 /nfs/dbraw/zinc/27/93/93/606279393.db2.gz CTZOCYNTQNGLLN-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2cccc(Cl)c21 ZINC000823542645 606394331 /nfs/dbraw/zinc/39/43/31/606394331.db2.gz XQGSUCQAEKBKQO-LLVKDONJSA-N -1 1 332.776 2.436 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000822535664 606419489 /nfs/dbraw/zinc/41/94/89/606419489.db2.gz ZXUVKIIZVYTQFD-QWRGUYRKSA-N -1 1 340.387 2.287 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000822535664 606419490 /nfs/dbraw/zinc/41/94/90/606419490.db2.gz ZXUVKIIZVYTQFD-QWRGUYRKSA-N -1 1 340.387 2.287 20 0 EEADMM O=C1CCCN1c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000823531098 606443953 /nfs/dbraw/zinc/44/39/53/606443953.db2.gz YIEKPQHZHWDJDN-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=C1CCCN1c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000823531098 606443954 /nfs/dbraw/zinc/44/39/54/606443954.db2.gz YIEKPQHZHWDJDN-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM CCOc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821427029 606651019 /nfs/dbraw/zinc/65/10/19/606651019.db2.gz MKBWJEDUXTWSLD-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821427029 606651020 /nfs/dbraw/zinc/65/10/20/606651020.db2.gz MKBWJEDUXTWSLD-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM Fc1ccccc1C=C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000822796512 606802915 /nfs/dbraw/zinc/80/29/15/606802915.db2.gz SZPFUNNCHVFTKU-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1ccccc1C=C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000822796512 606802917 /nfs/dbraw/zinc/80/29/17/606802917.db2.gz SZPFUNNCHVFTKU-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM CSc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821979813 606812587 /nfs/dbraw/zinc/81/25/87/606812587.db2.gz YNMVWKUJIXROTB-UHFFFAOYSA-N -1 1 340.412 2.222 20 0 EEADMM CSc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821979813 606812589 /nfs/dbraw/zinc/81/25/89/606812589.db2.gz YNMVWKUJIXROTB-UHFFFAOYSA-N -1 1 340.412 2.222 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820231619 607045304 /nfs/dbraw/zinc/04/53/04/607045304.db2.gz CDIIMMCPIPBRBD-WCBMZHEXSA-N -1 1 334.767 2.432 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820231619 607045306 /nfs/dbraw/zinc/04/53/06/607045306.db2.gz CDIIMMCPIPBRBD-WCBMZHEXSA-N -1 1 334.767 2.432 20 0 EEADMM Clc1nsc(N[C@H]2CCOC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000822591574 607133145 /nfs/dbraw/zinc/13/31/45/607133145.db2.gz VMFRPSOKAGIOHG-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000822591574 607133147 /nfs/dbraw/zinc/13/31/47/607133147.db2.gz VMFRPSOKAGIOHG-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(Cc2ccccc2)n1 ZINC000820462197 607234967 /nfs/dbraw/zinc/23/49/67/607234967.db2.gz VTZKYVQSJZWNAP-NSHDSACASA-N -1 1 348.370 2.409 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820462197 607234968 /nfs/dbraw/zinc/23/49/68/607234968.db2.gz VTZKYVQSJZWNAP-NSHDSACASA-N -1 1 348.370 2.409 20 0 EEADMM Clc1ccc(N[C@H]2CCN(c3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000826352923 607811252 /nfs/dbraw/zinc/81/12/52/607811252.db2.gz TVIXTHRZBVIQLC-JTQLQIEISA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N[C@H]2CCN(c3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000826352923 607811253 /nfs/dbraw/zinc/81/12/53/607811253.db2.gz TVIXTHRZBVIQLC-JTQLQIEISA-N -1 1 342.794 2.001 20 0 EEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824764216 607895474 /nfs/dbraw/zinc/89/54/74/607895474.db2.gz ULRUABZKDVUHAV-LBPRGKRZSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824764216 607895475 /nfs/dbraw/zinc/89/54/75/607895475.db2.gz ULRUABZKDVUHAV-LBPRGKRZSA-N -1 1 347.386 2.040 20 0 EEADMM Fc1ccc(CC2CN(c3cccc(-c4nnn[n-]4)n3)C2)cc1F ZINC000826374045 607896713 /nfs/dbraw/zinc/89/67/13/607896713.db2.gz JIXKJORRXFPTHA-UHFFFAOYSA-N -1 1 328.326 2.219 20 0 EEADMM Fc1ccc(CC2CN(c3cccc(-c4nn[n-]n4)n3)C2)cc1F ZINC000826374045 607896714 /nfs/dbraw/zinc/89/67/14/607896714.db2.gz JIXKJORRXFPTHA-UHFFFAOYSA-N -1 1 328.326 2.219 20 0 EEADMM CCOc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825654246 607998532 /nfs/dbraw/zinc/99/85/32/607998532.db2.gz UDRJGKVFPFUCMU-UHFFFAOYSA-N -1 1 325.328 2.223 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826508301 608185105 /nfs/dbraw/zinc/18/51/05/608185105.db2.gz LPAZQZHWBXYABA-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826508301 608185106 /nfs/dbraw/zinc/18/51/06/608185106.db2.gz LPAZQZHWBXYABA-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM CC(C)(C)c1cc(NC(=O)Cn2cccn2)c(-c2nnn[n-]2)s1 ZINC000824130077 608347861 /nfs/dbraw/zinc/34/78/61/608347861.db2.gz HGXGCKRRSOBNQQ-UHFFFAOYSA-N -1 1 331.405 2.061 20 0 EEADMM CC(C)(C)c1cc(NC(=O)Cn2cccn2)c(-c2nn[n-]n2)s1 ZINC000824130077 608347862 /nfs/dbraw/zinc/34/78/62/608347862.db2.gz HGXGCKRRSOBNQQ-UHFFFAOYSA-N -1 1 331.405 2.061 20 0 EEADMM Cc1nc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC000826325022 608408733 /nfs/dbraw/zinc/40/87/33/608408733.db2.gz LPPBKKWGKFZVLQ-NSHDSACASA-N -1 1 342.432 2.114 20 0 EEADMM Cc1nc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC000826325022 608408735 /nfs/dbraw/zinc/40/87/35/608408735.db2.gz LPPBKKWGKFZVLQ-NSHDSACASA-N -1 1 342.432 2.114 20 0 EEADMM CO[C@@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826146234 608417065 /nfs/dbraw/zinc/41/70/65/608417065.db2.gz SEVIPVWXZGTRTC-ZWNOBZJWSA-N -1 1 325.376 2.037 20 0 EEADMM CO[C@@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826146234 608417066 /nfs/dbraw/zinc/41/70/66/608417066.db2.gz SEVIPVWXZGTRTC-ZWNOBZJWSA-N -1 1 325.376 2.037 20 0 EEADMM CC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(C)c1 ZINC000825122404 608428753 /nfs/dbraw/zinc/42/87/53/608428753.db2.gz YVSOQNJDWBTKLF-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(C)c1 ZINC000825122404 608428755 /nfs/dbraw/zinc/42/87/55/608428755.db2.gz YVSOQNJDWBTKLF-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CCOC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1ccccc1 ZINC000825517577 608514571 /nfs/dbraw/zinc/51/45/71/608514571.db2.gz GIMPZPKHGDOYNH-UHFFFAOYSA-N -1 1 341.371 2.025 20 0 EEADMM CCOC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1ccccc1 ZINC000825517577 608514573 /nfs/dbraw/zinc/51/45/73/608514573.db2.gz GIMPZPKHGDOYNH-UHFFFAOYSA-N -1 1 341.371 2.025 20 0 EEADMM CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1sc(N)nc1[O-] ZINC000079283337 675435847 /nfs/dbraw/zinc/43/58/47/675435847.db2.gz XRDLBDIFOHLPQU-SNVBAGLBSA-N -1 1 346.239 2.299 20 0 EEADMM C[C@@H]1CN(C(=O)CC2(C)CC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020773681 675486348 /nfs/dbraw/zinc/48/63/48/675486348.db2.gz TWHMKVGGPSRZHN-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC=C(c2ccncc2)C1 ZINC000804746774 675614922 /nfs/dbraw/zinc/61/49/22/675614922.db2.gz ZLDLAGIQOOYUHD-UHFFFAOYSA-N -1 1 337.408 2.343 20 0 EEADMM COCc1nc(N2CCC([C@H](O)c3ccccc3)CC2)cc(=O)[n-]1 ZINC000891670021 676763347 /nfs/dbraw/zinc/76/33/47/676763347.db2.gz DIZSJLQVQXSKAB-GOSISDBHSA-N -1 1 329.400 2.279 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1)C(C)(C)C ZINC000971902057 677794995 /nfs/dbraw/zinc/79/49/95/677794995.db2.gz GCEPKYFCFVZZDU-BFHYXJOUSA-N -1 1 345.443 2.142 20 0 EEADMM COCc1nc(NCCCOCc2ccc(OC)cc2)cc(=O)[n-]1 ZINC000892290456 678618727 /nfs/dbraw/zinc/61/87/27/678618727.db2.gz KZFVFBZKVZDTEX-UHFFFAOYSA-N -1 1 333.388 2.356 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCC1 ZINC000984801631 685266860 /nfs/dbraw/zinc/26/68/60/685266860.db2.gz STYAXBILMRWVQZ-UONOGXRCSA-N -1 1 331.416 2.087 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C1CCCC1)c1ncccc1[O-] ZINC000937158743 681500641 /nfs/dbraw/zinc/50/06/41/681500641.db2.gz WCSCUVAGVDCKCU-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C1CCCCC1)c1ncccc1[O-] ZINC000937188283 681575300 /nfs/dbraw/zinc/57/53/00/681575300.db2.gz NNSPUMVXTOBUKD-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CC1(CC(=O)N2CCCC[C@H]2[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001025253455 682341719 /nfs/dbraw/zinc/34/17/19/682341719.db2.gz VSJNUXXLEDVLPF-KBPBESRZSA-N -1 1 347.463 2.046 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000983466680 682705047 /nfs/dbraw/zinc/70/50/47/682705047.db2.gz BQYIWDLFOVZFBA-OLZOCXBDSA-N -1 1 345.424 2.320 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983575285 682881263 /nfs/dbraw/zinc/88/12/63/682881263.db2.gz OGCRRIAQVYMRPG-UONOGXRCSA-N -1 1 345.443 2.381 20 0 EEADMM COc1ccc(-c2cc(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)n[nH]2)cc1 ZINC000262080838 683439949 /nfs/dbraw/zinc/43/99/49/683439949.db2.gz FFLHHPBEDLZWMI-JTQLQIEISA-N -1 1 329.356 2.163 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000983826438 683586255 /nfs/dbraw/zinc/58/62/55/683586255.db2.gz KYSAIMBFBHDIKF-GFCCVEGCSA-N -1 1 345.424 2.226 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)Cc2ccccc21 ZINC000909425291 683632099 /nfs/dbraw/zinc/63/20/99/683632099.db2.gz WJGMHNSJEVWVAM-JTQLQIEISA-N -1 1 339.273 2.253 20 0 EEADMM COCc1nc(N2CCO[C@@H](CCc3ccccc3)C2)cc(=O)[n-]1 ZINC000893162511 683922861 /nfs/dbraw/zinc/92/28/61/683922861.db2.gz LWDDVNDXPVEUPP-HNNXBMFYSA-N -1 1 329.400 2.167 20 0 EEADMM CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984104665 684107588 /nfs/dbraw/zinc/10/75/88/684107588.db2.gz JURRXMMGRYNELC-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ccsc1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984106091 684108214 /nfs/dbraw/zinc/10/82/14/684108214.db2.gz OHJFZTBQFDGNOC-ZDUSSCGKSA-N -1 1 345.424 2.226 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H]2[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)[C@H]21 ZINC000984164262 684182785 /nfs/dbraw/zinc/18/27/85/684182785.db2.gz DPNVUKTZWHKJPF-WQVCFCJDSA-N -1 1 345.443 2.189 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974058418 684271915 /nfs/dbraw/zinc/27/19/15/684271915.db2.gz XPWGXCFOWWZTHC-KBXIAJHMSA-N -1 1 345.443 2.381 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)s2)o1 ZINC000042263881 693840754 /nfs/dbraw/zinc/84/07/54/693840754.db2.gz LHQIGEBCHGPKNL-UHFFFAOYSA-N -1 1 335.790 2.260 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2cccs2)CCN1C(=O)c1ncccc1[O-] ZINC000984473026 684583422 /nfs/dbraw/zinc/58/34/22/684583422.db2.gz GAALFZKSURDOOJ-NWDGAFQWSA-N -1 1 345.424 2.272 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000188366425 684627052 /nfs/dbraw/zinc/62/70/52/684627052.db2.gz FXQADYZWFJODBP-UHFFFAOYSA-N -1 1 332.747 2.223 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516654 686287360 /nfs/dbraw/zinc/28/73/60/686287360.db2.gz QYSMTTSFJGXSQG-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@@](C)(CCC[N-]S(=O)(=O)c1cc(C)ns1)C1OCCO1 ZINC000866910626 686300514 /nfs/dbraw/zinc/30/05/14/686300514.db2.gz SIRHHUNUFOBPJU-AWEZNQCLSA-N -1 1 348.490 2.299 20 0 EEADMM CCC1(C(=O)N2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC000975250523 686356096 /nfs/dbraw/zinc/35/60/96/686356096.db2.gz FLFVWIITYNCKDH-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)Cc2n[nH]c3c2CCCC3)c2ccccc21 ZINC000909578091 686360626 /nfs/dbraw/zinc/36/06/26/686360626.db2.gz CPYIMBFKLCTMEW-CYBMUJFWSA-N -1 1 325.368 2.046 20 0 EEADMM CC1(C)CC(C(=O)NC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000975277069 686383990 /nfs/dbraw/zinc/38/39/90/686383990.db2.gz VTXOWISJXHMNSL-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCCC[C@H]1O ZINC000866916120 686424465 /nfs/dbraw/zinc/42/44/65/686424465.db2.gz PTABKKLBGHOHEK-MFKMUULPSA-N -1 1 336.816 2.094 20 0 EEADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])C=CCC1 ZINC000975883433 686978306 /nfs/dbraw/zinc/97/83/06/686978306.db2.gz FFUXMVTXUJBFSL-KUHUBIRLSA-N -1 1 343.427 2.254 20 0 EEADMM CC[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985494254 687040322 /nfs/dbraw/zinc/04/03/22/687040322.db2.gz GOSHBOHBRQBQDB-SCLBCKFNSA-N -1 1 349.479 2.150 20 0 EEADMM C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001029855224 687472975 /nfs/dbraw/zinc/47/29/75/687472975.db2.gz JVTKQNLNWHRYJK-OAHLLOKOSA-N -1 1 349.479 2.151 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001029855224 687472976 /nfs/dbraw/zinc/47/29/76/687472976.db2.gz JVTKQNLNWHRYJK-OAHLLOKOSA-N -1 1 349.479 2.151 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])C1=CCCC1 ZINC000976512311 687793216 /nfs/dbraw/zinc/79/32/16/687793216.db2.gz HLGHIOQPZDWCKV-ZIAGYGMSSA-N -1 1 329.400 2.055 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)c2C1 ZINC000909360224 687835236 /nfs/dbraw/zinc/83/52/36/687835236.db2.gz LRVDPRPWCIWNRE-VFZGTOFNSA-N -1 1 331.347 2.229 20 0 EEADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029967683 688731153 /nfs/dbraw/zinc/73/11/53/688731153.db2.gz PMXAAFBBDOLFNJ-ZFWWWQNUSA-N -1 1 349.479 2.007 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CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnn3)cc2)cc1 ZINC001259176656 1319468778 /nfs/dbraw/zinc/46/87/78/1319468778.db2.gz KYXVAVMHXDCRJB-UHFFFAOYSA-N -1 1 342.380 2.271 20 0 EEADMM COc1ccccc1S(=O)(=O)[N-]c1ccnc(N2CCCC2)c1 ZINC001259295194 1319515466 /nfs/dbraw/zinc/51/54/66/1319515466.db2.gz KPNHRQOXVHPGLO-UHFFFAOYSA-N -1 1 333.413 2.491 20 0 EEADMM COc1cncc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1C ZINC001259362055 1319539766 /nfs/dbraw/zinc/53/97/66/1319539766.db2.gz LXVGWSNXFGKJGX-UHFFFAOYSA-N -1 1 344.396 2.385 20 0 EEADMM Cn1ncc(Cl)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391935 1319552209 /nfs/dbraw/zinc/55/22/09/1319552209.db2.gz LEHNGHLMRNDAMG-UHFFFAOYSA-N -1 1 328.806 2.484 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]c(=O)[nH]c3=O)cc1F ZINC001259480565 1319591432 /nfs/dbraw/zinc/59/14/32/1319591432.db2.gz IBFZRPAZTCPKLP-UHFFFAOYSA-N -1 1 349.343 2.289 20 0 EEADMM O=S(=O)([N-]c1ncc(F)cc1Br)c1cccnc1 ZINC001259602203 1319623517 /nfs/dbraw/zinc/62/35/17/1319623517.db2.gz 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ZINC001164639793 1321439477 /nfs/dbraw/zinc/43/94/77/1321439477.db2.gz GKZPJYYLEYVARU-AWEZNQCLSA-N -1 1 347.463 2.023 20 0 EEADMM CC(C)O[N-]C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC001261269946 1322053970 /nfs/dbraw/zinc/05/39/70/1322053970.db2.gz FFFAZMJOMVZFMC-LBPRGKRZSA-N -1 1 340.807 2.024 20 0 EEADMM Cc1ccccc1C1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC001262185738 1322252360 /nfs/dbraw/zinc/25/23/60/1322252360.db2.gz ZBWRQGZWXAWIBF-INIZCTEOSA-N -1 1 333.395 2.446 20 0 EEADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)C1 ZINC000356117449 1323275155 /nfs/dbraw/zinc/27/51/55/1323275155.db2.gz NQMPXBFJKRLSJI-WFASDCNBSA-N -1 1 345.403 2.313 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC001608508258 1351706456 /nfs/dbraw/zinc/70/64/56/1351706456.db2.gz ZNVLBCNHVHCKOP-ZIAGYGMSSA-N -1 1 335.429 2.086 20 0 EEADMM O=C(c1cccc([O-])c1F)N1CCc2c(nnn2-c2ccccc2)C1 ZINC001298325718 1330057016 /nfs/dbraw/zinc/05/70/16/1330057016.db2.gz YHBLDJFLOACYTH-UHFFFAOYSA-N -1 1 338.342 2.311 20 0 EEADMM C[C@@H](CNC(=O)c1cc2ccccc2o1)NC(=O)c1ncccc1[O-] ZINC001298758931 1330118381 /nfs/dbraw/zinc/11/83/81/1330118381.db2.gz NWLLBXNLAJHLIE-NSHDSACASA-N -1 1 339.351 2.082 20 0 EEADMM C[C@]1(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)C[C@]1(F)Cl ZINC001590127320 1349165489 /nfs/dbraw/zinc/16/54/89/1349165489.db2.gz LNLHGACDPMCCJW-QWHCGFSZSA-N -1 1 339.762 2.088 20 0 EEADMM C[C@]1(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)C[C@]1(F)Cl ZINC001590127320 1349165494 /nfs/dbraw/zinc/16/54/94/1349165494.db2.gz LNLHGACDPMCCJW-QWHCGFSZSA-N -1 1 339.762 2.088 20 0 EEADMM CC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)Cc2ccccc2C1 ZINC001590131036 1349167235 /nfs/dbraw/zinc/16/72/35/1349167235.db2.gz BAKGVAFSMKWOMH-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM CC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)Cc2ccccc2C1 ZINC001590131036 1349167239 /nfs/dbraw/zinc/16/72/39/1349167239.db2.gz BAKGVAFSMKWOMH-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592624922 1349677866 /nfs/dbraw/zinc/67/78/66/1349677866.db2.gz PPTLIPBBORLLPT-MRVPVSSYSA-N -1 1 343.769 2.057 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592624922 1349677871 /nfs/dbraw/zinc/67/78/71/1349677871.db2.gz PPTLIPBBORLLPT-MRVPVSSYSA-N -1 1 343.769 2.057 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592625575 1349677962 /nfs/dbraw/zinc/67/79/62/1349677962.db2.gz XNKXVYPGRKBSFJ-LLVKDONJSA-N -1 1 331.330 2.335 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592625575 1349677967 /nfs/dbraw/zinc/67/79/67/1349677967.db2.gz XNKXVYPGRKBSFJ-LLVKDONJSA-N -1 1 331.330 2.335 20 0 EEADMM Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(C)c1OCC(=O)[O-] ZINC001600191726 1349989204 /nfs/dbraw/zinc/98/92/04/1349989204.db2.gz FGUXLSGAIUZDAC-HIFRSBDPSA-N -1 1 335.400 2.309 20 0 EEADMM O=C([O-])c1occc1CNC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC001602591205 1350552661 /nfs/dbraw/zinc/55/26/61/1350552661.db2.gz WDVQAYJYNPAUTN-AWEZNQCLSA-N -1 1 342.351 2.196 20 0 EEADMM O=C([O-])[C@@H](N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C1CC1 ZINC001608547388 1351713825 /nfs/dbraw/zinc/71/38/25/1351713825.db2.gz WTMFXWMJXWLOIY-STQMWFEESA-N -1 1 342.317 2.264 20 0 EEADMM C[C@@H](NCc1cc(C(=O)[O-])n(C)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001604342737 1350920163 /nfs/dbraw/zinc/92/01/63/1350920163.db2.gz RFGIIMGRKYXQOP-QWHCGFSZSA-N -1 1 341.411 2.179 20 0 EEADMM O=S(=O)(NCCC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001607066622 1351405825 /nfs/dbraw/zinc/40/58/25/1351405825.db2.gz YZCARHODIRYBKT-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM O=S(=O)(NCCC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001607066622 1351405827 /nfs/dbraw/zinc/40/58/27/1351405827.db2.gz YZCARHODIRYBKT-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CCc3c(ncn3-c3ccccc3)C2)C1(F)F ZINC001608595497 1351722165 /nfs/dbraw/zinc/72/21/65/1351722165.db2.gz DXABSKZQPGTRBS-DOMZBBRYSA-N -1 1 333.338 2.196 20 0 EEADMM O=C([O-])[C@H]1CC(=O)N(CN2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC001608596640 1351722734 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O=C([O-])c1ccc(CS(=O)(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC001608890342 1351788246 /nfs/dbraw/zinc/78/82/46/1351788246.db2.gz DOEPMOOAVUQKNQ-UHFFFAOYSA-N -1 1 349.290 2.069 20 0 EEADMM Nc1ccc2c(ncnc2N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001320618456 1332922572 /nfs/dbraw/zinc/92/25/72/1332922572.db2.gz GYQUIGPYCGZPSZ-UHFFFAOYSA-N -1 1 349.394 2.412 20 0 EEADMM O=C([O-])c1sccc1CN[C@H]1CCCN(Cc2ccccn2)C1=O ZINC001609009006 1351813239 /nfs/dbraw/zinc/81/32/39/1351813239.db2.gz XECNPCSVAIZJBS-AWEZNQCLSA-N -1 1 345.424 2.122 20 0 EEADMM CC(C)(C)OC(=O)NCCCCCCn1ccnc1-c1nnn[n-]1 ZINC001609078366 1351832715 /nfs/dbraw/zinc/83/27/15/1351832715.db2.gz MHYBAADZSGEBIT-UHFFFAOYSA-N -1 1 335.412 2.148 20 0 EEADMM CC(C)(C)OC(=O)NCCCCCCn1ccnc1-c1nn[n-]n1 ZINC001609078366 1351832719 /nfs/dbraw/zinc/83/27/19/1351832719.db2.gz MHYBAADZSGEBIT-UHFFFAOYSA-N -1 1 335.412 2.148 20 0 EEADMM CC(C)(O)c1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001609085238 1351835002 /nfs/dbraw/zinc/83/50/02/1351835002.db2.gz FLLUZTNMDJPVGK-UHFFFAOYSA-N -1 1 343.412 2.086 20 0 EEADMM O=S(=O)([N-]Cc1nc(C2CC2)no1)c1cnc(Cl)cc1Cl ZINC001324857420 1333774966 /nfs/dbraw/zinc/77/49/66/1333774966.db2.gz CAQUCTHJZRKWMP-UHFFFAOYSA-N -1 1 349.199 2.127 20 0 EEADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001325850187 1333975134 /nfs/dbraw/zinc/97/51/34/1333975134.db2.gz SDSAFQKQVUUHQG-UHFFFAOYSA-N -1 1 334.376 2.459 20 0 EEADMM CCS[C@H]1CCCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609248656 1351908236 /nfs/dbraw/zinc/90/82/36/1351908236.db2.gz LNBYTTHGSUMVMU-NSHDSACASA-N -1 1 332.433 2.010 20 0 EEADMM CCS[C@H]1CCCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609248656 1351908237 /nfs/dbraw/zinc/90/82/37/1351908237.db2.gz LNBYTTHGSUMVMU-NSHDSACASA-N -1 1 332.433 2.010 20 0 EEADMM COc1ccc(NC(=O)NC/C=C\C2CC2)cc1[N-]S(C)(=O)=O ZINC001328123021 1334400828 /nfs/dbraw/zinc/40/08/28/1334400828.db2.gz VWFCNNGEGDUMOV-ARJAWSKDSA-N -1 1 339.417 2.154 20 0 EEADMM COCCC1(CNc2nc(C)cc(-c3nnn[n-]3)n2)CCCCC1 ZINC001609322092 1351932616 /nfs/dbraw/zinc/93/26/16/1351932616.db2.gz BTVDTHVPOQEDPE-UHFFFAOYSA-N -1 1 331.424 2.364 20 0 EEADMM COCCC1(CNc2nc(C)cc(-c3nn[n-]n3)n2)CCCCC1 ZINC001609322092 1351932620 /nfs/dbraw/zinc/93/26/20/1351932620.db2.gz BTVDTHVPOQEDPE-UHFFFAOYSA-N -1 1 331.424 2.364 20 0 EEADMM COc1cc(CNc2cccnc2-c2nnn[n-]2)ccc1OC(F)F ZINC001609345445 1351940072 /nfs/dbraw/zinc/94/00/72/1351940072.db2.gz ILIPAAGUDYJYJF-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM COc1cc(CNc2cccnc2-c2nn[n-]n2)ccc1OC(F)F ZINC001609345445 1351940075 /nfs/dbraw/zinc/94/00/75/1351940075.db2.gz ILIPAAGUDYJYJF-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609345494 1351940151 /nfs/dbraw/zinc/94/01/51/1351940151.db2.gz YRRGSTMFKOMWNH-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609345494 1351940154 /nfs/dbraw/zinc/94/01/54/1351940154.db2.gz YRRGSTMFKOMWNH-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001609359354 1351945536 /nfs/dbraw/zinc/94/55/36/1351945536.db2.gz LQKCSHSYQBOKTE-LBPRGKRZSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001609359354 1351945537 /nfs/dbraw/zinc/94/55/37/1351945537.db2.gz LQKCSHSYQBOKTE-LBPRGKRZSA-N -1 1 337.387 2.197 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001609405777 1351963786 /nfs/dbraw/zinc/96/37/86/1351963786.db2.gz XWIKCAWLOBSQSU-CQSZACIVSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001609405777 1351963788 /nfs/dbraw/zinc/96/37/88/1351963788.db2.gz XWIKCAWLOBSQSU-CQSZACIVSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1ccsc1CCCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609439490 1351977747 /nfs/dbraw/zinc/97/77/47/1351977747.db2.gz KYUGKBNSJWRRGH-UHFFFAOYSA-N -1 1 345.432 2.240 20 0 EEADMM Cc1ccsc1CCCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609439490 1351977748 /nfs/dbraw/zinc/97/77/48/1351977748.db2.gz KYUGKBNSJWRRGH-UHFFFAOYSA-N -1 1 345.432 2.240 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2ccc(C)cc2C1 ZINC001609428979 1351973497 /nfs/dbraw/zinc/97/34/97/1351973497.db2.gz JTZLZLCNMASCTA-UHFFFAOYSA-N -1 1 339.355 2.111 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2ccc(C)cc2C1 ZINC001609428979 1351973500 /nfs/dbraw/zinc/97/35/00/1351973500.db2.gz JTZLZLCNMASCTA-UHFFFAOYSA-N -1 1 339.355 2.111 20 0 EEADMM Fc1ccc2[nH]cc(CCCNc3ccc(-c4nnn[n-]4)nn3)c2c1 ZINC001609491555 1351996846 /nfs/dbraw/zinc/99/68/46/1351996846.db2.gz POENYAPYSXSPEI-UHFFFAOYSA-N -1 1 338.350 2.322 20 0 EEADMM Fc1ccc2[nH]cc(CCCNc3ccc(-c4nn[n-]n4)nn3)c2c1 ZINC001609491555 1351996847 /nfs/dbraw/zinc/99/68/47/1351996847.db2.gz POENYAPYSXSPEI-UHFFFAOYSA-N -1 1 338.350 2.322 20 0 EEADMM CC(C)c1c(C(=O)N(C)c2nn[n-]n2)cnn1-c1cccc(Cl)c1 ZINC001332689021 1335882982 /nfs/dbraw/zinc/88/29/82/1335882982.db2.gz QSXJZONDPWGQGP-UHFFFAOYSA-N -1 1 345.794 2.439 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1(C(F)(F)F)CCC1 ZINC001609577470 1352024140 /nfs/dbraw/zinc/02/41/40/1352024140.db2.gz MLTSAHRJFJWNBI-UHFFFAOYSA-N -1 1 327.266 2.038 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1(C(F)(F)F)CCC1 ZINC001609577470 1352024144 /nfs/dbraw/zinc/02/41/44/1352024144.db2.gz MLTSAHRJFJWNBI-UHFFFAOYSA-N -1 1 327.266 2.038 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(Cc1ccccc1)CC(F)F ZINC001609581600 1352026736 /nfs/dbraw/zinc/02/67/36/1352026736.db2.gz WPGPVRMQANOIBI-UHFFFAOYSA-N -1 1 333.298 2.367 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(Cc1ccccc1)CC(F)F ZINC001609581600 1352026740 /nfs/dbraw/zinc/02/67/40/1352026740.db2.gz WPGPVRMQANOIBI-UHFFFAOYSA-N -1 1 333.298 2.367 20 0 EEADMM C[C@@H](CO)N(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC1CCC1 ZINC001609746665 1352075168 /nfs/dbraw/zinc/07/51/68/1352075168.db2.gz MHSSWVAVJOOXIW-NSHDSACASA-N -1 1 345.399 2.017 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cnc(Cl)cc1C(F)(F)F ZINC001336917895 1336617148 /nfs/dbraw/zinc/61/71/48/1336617148.db2.gz DQJSOXZVBRCNBC-SSDOTTSWSA-N -1 1 344.742 2.069 20 0 EEADMM C[C@H](c1ccc(Br)cc1)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001609809240 1352090624 /nfs/dbraw/zinc/09/06/24/1352090624.db2.gz WAAHJTCMUALRBD-XWIASGKRSA-N -1 1 328.206 2.278 20 0 EEADMM C[C@@]1(O)CCCN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001609825162 1352094756 /nfs/dbraw/zinc/09/47/56/1352094756.db2.gz QAPFRJITNWUUHD-CQSZACIVSA-N -1 1 328.206 2.494 20 0 EEADMM C[C@@H](NCC(=O)N1CCC(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001609861378 1352104896 /nfs/dbraw/zinc/10/48/96/1352104896.db2.gz RAJJRSIVAURBKB-CQSZACIVSA-N -1 1 334.416 2.059 20 0 EEADMM CCc1cccc(NC(=O)CN[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)c1 ZINC001610066152 1352153686 /nfs/dbraw/zinc/15/36/86/1352153686.db2.gz DPBUQBCJZNYPNN-LESCRADOSA-N -1 1 348.443 2.436 20 0 EEADMM CCCCCNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001200060869 1337965022 /nfs/dbraw/zinc/96/50/22/1337965022.db2.gz VXIBKUWNETZSOW-UHFFFAOYSA-N -1 1 345.490 2.119 20 0 EEADMM COC(=O)[C@H]1CSCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001610179322 1352179862 /nfs/dbraw/zinc/17/98/62/1352179862.db2.gz PILHEUXFGYRFCC-LLVKDONJSA-N -1 1 343.832 2.376 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1cc(C)nc(C2CC2)n1 ZINC001100515083 1338462661 /nfs/dbraw/zinc/46/26/61/1338462661.db2.gz AMJHJDHIQUGCRQ-UHFFFAOYSA-N -1 1 341.415 2.019 20 0 EEADMM Cc1cc(Br)c(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)s1 ZINC001610432011 1352221376 /nfs/dbraw/zinc/22/13/76/1352221376.db2.gz FCINIXUXFMKRGH-BDAKNGLRSA-N -1 1 334.235 2.086 20 0 EEADMM Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(C)c1OCC(=O)[O-] ZINC001610462596 1352227255 /nfs/dbraw/zinc/22/72/55/1352227255.db2.gz XIVAASBKWGARKV-ABAIWWIYSA-N -1 1 335.400 2.309 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)n[nH]1 ZINC001610459668 1352226129 /nfs/dbraw/zinc/22/61/29/1352226129.db2.gz QPCAOLZOXUVCIG-JTQLQIEISA-N -1 1 345.403 2.235 20 0 EEADMM Cc1cc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001610461970 1352226878 /nfs/dbraw/zinc/22/68/78/1352226878.db2.gz QIIBNWZCKPWDOM-SNVBAGLBSA-N -1 1 348.321 2.177 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001610461970 1352226880 /nfs/dbraw/zinc/22/68/80/1352226880.db2.gz QIIBNWZCKPWDOM-SNVBAGLBSA-N -1 1 348.321 2.177 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](CCCO)C1 ZINC001610486774 1352231051 /nfs/dbraw/zinc/23/10/51/1352231051.db2.gz LOOPDRKYHDDZMP-KBPBESRZSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)C1 ZINC001610575773 1352247916 /nfs/dbraw/zinc/24/79/16/1352247916.db2.gz NJMFGWQAFAGWCE-CQSZACIVSA-N -1 1 333.388 2.119 20 0 EEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC001610635402 1352256440 /nfs/dbraw/zinc/25/64/40/1352256440.db2.gz OIASPJBNRJCZMA-HNNXBMFYSA-N -1 1 343.383 2.040 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)[nH]c21 ZINC001610712564 1352263708 /nfs/dbraw/zinc/26/37/08/1352263708.db2.gz GYZQVGBRQQKEGZ-UHFFFAOYSA-N -1 1 337.295 2.095 20 0 EEADMM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1 ZINC001610752412 1352268981 /nfs/dbraw/zinc/26/89/81/1352268981.db2.gz UQESMCVVFTWUOL-FPYGCLRLSA-N -1 1 337.328 2.430 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428540025 1339560726 /nfs/dbraw/zinc/56/07/26/1339560726.db2.gz MWZUFQITWBNYOK-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1ccc(CCC(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001428602306 1339593395 /nfs/dbraw/zinc/59/33/95/1339593395.db2.gz VGIIQCTWQHNFRN-LLVKDONJSA-N -1 1 347.440 2.024 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1C ZINC001430566903 1340258460 /nfs/dbraw/zinc/25/84/60/1340258460.db2.gz SYGMTHCQZGAEHO-CYBMUJFWSA-N -1 1 327.384 2.034 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1(C)C ZINC001434113584 1341768176 /nfs/dbraw/zinc/76/81/76/1341768176.db2.gz SPMSECJYSRKXQI-NEPJUHHUSA-N -1 1 335.404 2.209 20 0 EEADMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001545893339 1341999543 /nfs/dbraw/zinc/99/95/43/1341999543.db2.gz WAPNXQGJUFIQAA-UHFFFAOYSA-N -1 1 348.322 2.067 20 0 EEADMM O=C(Nc1n[nH]c2cc(O)ccc21)c1[n-]cnc1C(=O)c1ccccc1 ZINC001569458850 1342873829 /nfs/dbraw/zinc/87/38/29/1342873829.db2.gz FZBHVMCWTFHTFV-UHFFFAOYSA-N -1 1 347.334 2.475 20 0 EEADMM O=C(Nc1n[nH]c2cc(O)ccc21)c1nc[n-]c1C(=O)c1ccccc1 ZINC001569458850 1342873835 /nfs/dbraw/zinc/87/38/35/1342873835.db2.gz FZBHVMCWTFHTFV-UHFFFAOYSA-N -1 1 347.334 2.475 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576098469 1343965436 /nfs/dbraw/zinc/96/54/36/1343965436.db2.gz UXUIJJSWIFWOQQ-GRLWKWRFSA-N -1 1 333.342 2.167 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576098469 1343965438 /nfs/dbraw/zinc/96/54/38/1343965438.db2.gz UXUIJJSWIFWOQQ-GRLWKWRFSA-N -1 1 333.342 2.167 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C[C@H]1OC ZINC001577110346 1344091085 /nfs/dbraw/zinc/09/10/85/1344091085.db2.gz LOPQLZHIGVKTMH-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C[C@H]1OC ZINC001577110346 1344091087 /nfs/dbraw/zinc/09/10/87/1344091087.db2.gz LOPQLZHIGVKTMH-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM CCCCC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577425842 1344147669 /nfs/dbraw/zinc/14/76/69/1344147669.db2.gz BVFYHXVJGKEBDY-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577425842 1344147672 /nfs/dbraw/zinc/14/76/72/1344147672.db2.gz BVFYHXVJGKEBDY-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCOC(=O)c1cc(Oc2cccc(F)c2-c2nnn[n-]2)nc(C)n1 ZINC001578253245 1344254977 /nfs/dbraw/zinc/25/49/77/1344254977.db2.gz MXHBITVPGQBBFC-UHFFFAOYSA-N -1 1 344.306 2.073 20 0 EEADMM CCOC(=O)c1cc(Oc2cccc(F)c2-c2nn[n-]n2)nc(C)n1 ZINC001578253245 1344254982 /nfs/dbraw/zinc/25/49/82/1344254982.db2.gz MXHBITVPGQBBFC-UHFFFAOYSA-N -1 1 344.306 2.073 20 0 EEADMM Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)[nH]c1C ZINC001581446382 1344626810 /nfs/dbraw/zinc/62/68/10/1344626810.db2.gz ZBKUXBRRVYXTLF-JTQLQIEISA-N -1 1 343.416 2.245 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCCCS1 ZINC001582549444 1344760999 /nfs/dbraw/zinc/76/09/99/1344760999.db2.gz ACOLOCABELHHQJ-VIFPVBQESA-N -1 1 338.462 2.013 20 0 EEADMM O=C(NCc1csc(-c2ccco2)n1)c1coc(-c2nnn[n-]2)c1 ZINC001582558352 1344762880 /nfs/dbraw/zinc/76/28/80/1344762880.db2.gz TVWHODUGGZBHMK-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(NCc1csc(-c2ccco2)n1)c1coc(-c2nn[n-]n2)c1 ZINC001582558352 1344762884 /nfs/dbraw/zinc/76/28/84/1344762884.db2.gz TVWHODUGGZBHMK-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(N[C@@H]1CCCc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001582568567 1344764233 /nfs/dbraw/zinc/76/42/33/1344764233.db2.gz DXDZPYSMSNAMMF-CYBMUJFWSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCCc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001582568567 1344764236 /nfs/dbraw/zinc/76/42/36/1344764236.db2.gz DXDZPYSMSNAMMF-CYBMUJFWSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(F)c(Cl)cc1Cl ZINC001582649951 1344777826 /nfs/dbraw/zinc/77/78/26/1344777826.db2.gz JXZPWPRCSORWAU-UHFFFAOYSA-N -1 1 342.121 2.288 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1Cc2ccc(Cl)cc2C1 ZINC001582708291 1344784897 /nfs/dbraw/zinc/78/48/97/1344784897.db2.gz JLUZUDMEHXJGAS-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1Cc2ccc(Cl)cc2C1 ZINC001582708291 1344784903 /nfs/dbraw/zinc/78/49/03/1344784903.db2.gz JLUZUDMEHXJGAS-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc(Cl)s1)CCC2 ZINC001582807225 1344794529 /nfs/dbraw/zinc/79/45/29/1344794529.db2.gz YOLXJPYJVIRLOD-UHFFFAOYSA-N -1 1 333.804 2.280 20 0 EEADMM Cc1ccc(C)n1-c1sccc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001585945251 1348830332 /nfs/dbraw/zinc/83/03/32/1348830332.db2.gz LGYNIRNHSVYHRI-UHFFFAOYSA-N -1 1 344.396 2.287 20 0 EEADMM Brc1cc(CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001588315551 1348883004 /nfs/dbraw/zinc/88/30/04/1348883004.db2.gz JFKCODABJKXSBA-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1cc(CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001588315551 1348883008 /nfs/dbraw/zinc/88/30/08/1348883008.db2.gz JFKCODABJKXSBA-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1sccc1CNc1nccnc1-c1nnn[n-]1 ZINC001588324606 1348886517 /nfs/dbraw/zinc/88/65/17/1348886517.db2.gz DVESXJCVGRJKOY-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1sccc1CNc1nccnc1-c1nn[n-]n1 ZINC001588324606 1348886519 /nfs/dbraw/zinc/88/65/19/1348886519.db2.gz DVESXJCVGRJKOY-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001589064352 1348956748 /nfs/dbraw/zinc/95/67/48/1348956748.db2.gz KZUBUGWMUGZIBH-UHFFFAOYSA-N -1 1 347.375 2.483 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001589064352 1348956751 /nfs/dbraw/zinc/95/67/51/1348956751.db2.gz KZUBUGWMUGZIBH-UHFFFAOYSA-N -1 1 347.375 2.483 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589136006 1348964110 /nfs/dbraw/zinc/96/41/10/1348964110.db2.gz YWOJZUHTFTWEPN-UHFFFAOYSA-N -1 1 337.387 2.098 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589136006 1348964113 /nfs/dbraw/zinc/96/41/13/1348964113.db2.gz YWOJZUHTFTWEPN-UHFFFAOYSA-N -1 1 337.387 2.098 20 0 EEADMM CC(C)(C)OC1CC(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589190908 1348967673 /nfs/dbraw/zinc/96/76/73/1348967673.db2.gz VMZCTQHLCMVOQA-UHFFFAOYSA-N -1 1 345.403 2.289 20 0 EEADMM CC(C)(C)OC1CC(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589190908 1348967675 /nfs/dbraw/zinc/96/76/75/1348967675.db2.gz VMZCTQHLCMVOQA-UHFFFAOYSA-N -1 1 345.403 2.289 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589193213 1348968046 /nfs/dbraw/zinc/96/80/46/1348968046.db2.gz LQJQCHJHXGXUGM-UHFFFAOYSA-N -1 1 344.419 2.118 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589193213 1348968048 /nfs/dbraw/zinc/96/80/48/1348968048.db2.gz LQJQCHJHXGXUGM-UHFFFAOYSA-N -1 1 344.419 2.118 20 0 EEADMM CC(C)CN(C(=O)CSc1cccnc1-c1nnn[n-]1)C1CC1 ZINC001589613024 1349010792 /nfs/dbraw/zinc/01/07/92/1349010792.db2.gz NZGMLNQLNRGBGZ-UHFFFAOYSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)CN(C(=O)CSc1cccnc1-c1nn[n-]n1)C1CC1 ZINC001589613024 1349010798 /nfs/dbraw/zinc/01/07/98/1349010798.db2.gz NZGMLNQLNRGBGZ-UHFFFAOYSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cn1 ZINC001589648374 1349015257 /nfs/dbraw/zinc/01/52/57/1349015257.db2.gz OARULJHKFBQTKG-UHFFFAOYSA-N -1 1 328.332 2.142 20 0 EEADMM CC(C)c1nc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)cs1 ZINC001589775869 1349036863 /nfs/dbraw/zinc/03/68/63/1349036863.db2.gz TWPXURCKSJPFLJ-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM CC(C)c1nc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)cs1 ZINC001589775869 1349036868 /nfs/dbraw/zinc/03/68/68/1349036868.db2.gz TWPXURCKSJPFLJ-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589834228 1349052128 /nfs/dbraw/zinc/05/21/28/1349052128.db2.gz FCMYCCYJGSKERZ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589834228 1349052133 /nfs/dbraw/zinc/05/21/33/1349052133.db2.gz FCMYCCYJGSKERZ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC001589948503 1349074327 /nfs/dbraw/zinc/07/43/27/1349074327.db2.gz LNWCORQUJFNWMC-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC001589948503 1349074328 /nfs/dbraw/zinc/07/43/28/1349074328.db2.gz LNWCORQUJFNWMC-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM C[C@@]1(C(F)F)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC001590072940 1349137786 /nfs/dbraw/zinc/13/77/86/1349137786.db2.gz JWDMRICGSBKLSB-INIZCTEOSA-N -1 1 346.341 2.275 20 0 EEADMM C[C@@]1(C(F)F)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC001590072940 1349137791 /nfs/dbraw/zinc/13/77/91/1349137791.db2.gz JWDMRICGSBKLSB-INIZCTEOSA-N -1 1 346.341 2.275 20 0 EEADMM CC1(C)CCC[C@@](O)(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590098467 1349153703 /nfs/dbraw/zinc/15/37/03/1349153703.db2.gz SXHNSAIQEOBQGV-KRWDZBQOSA-N -1 1 348.378 2.494 20 0 EEADMM CC1(C)CCC[C@@](O)(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590098467 1349153709 /nfs/dbraw/zinc/15/37/09/1349153709.db2.gz SXHNSAIQEOBQGV-KRWDZBQOSA-N -1 1 348.378 2.494 20 0 EEADMM CC1(C)CCc2onc(CNCc3nc(-c4nnn[n-]4)cs3)c2C1 ZINC001590100736 1349155466 /nfs/dbraw/zinc/15/54/66/1349155466.db2.gz QHYKVMKBRWEBEU-UHFFFAOYSA-N -1 1 345.432 2.116 20 0 EEADMM CC1(C)CCc2onc(CNCc3nc(-c4nn[n-]n4)cs3)c2C1 ZINC001590100736 1349155472 /nfs/dbraw/zinc/15/54/72/1349155472.db2.gz QHYKVMKBRWEBEU-UHFFFAOYSA-N -1 1 345.432 2.116 20 0 EEADMM CC1(C)CN(Cc2csc(-c3nn[n-]n3)c2)C[C@@H](C(F)(F)F)O1 ZINC001590106977 1349157627 /nfs/dbraw/zinc/15/76/27/1349157627.db2.gz NWQKWHHXPDBCIA-JTQLQIEISA-N -1 1 347.366 2.470 20 0 EEADMM C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590245735 1349223195 /nfs/dbraw/zinc/22/31/95/1349223195.db2.gz ZETHTAQXUWGSNA-NXEZZACHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@@H](N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590245735 1349223201 /nfs/dbraw/zinc/22/32/01/1349223201.db2.gz ZETHTAQXUWGSNA-NXEZZACHSA-N -1 1 335.437 2.043 20 0 EEADMM CC[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1c(C)noc1C ZINC001590368398 1349288040 /nfs/dbraw/zinc/28/80/40/1349288040.db2.gz ARQUGHSRQVLFBO-NSHDSACASA-N -1 1 346.416 2.343 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001590416005 1349314189 /nfs/dbraw/zinc/31/41/89/1349314189.db2.gz FQOFGYSANCMJHN-SECBINFHSA-N -1 1 341.375 2.328 20 0 EEADMM CC[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccccc1F ZINC001590446445 1349328681 /nfs/dbraw/zinc/32/86/81/1349328681.db2.gz RMGHDMHOPFILEN-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccccc1F ZINC001590446445 1349328686 /nfs/dbraw/zinc/32/86/86/1349328686.db2.gz RMGHDMHOPFILEN-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC001590472527 1349345930 /nfs/dbraw/zinc/34/59/30/1349345930.db2.gz FDDUJFCLHDWKHT-ZDUSSCGKSA-N -1 1 338.371 2.018 20 0 EEADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC001590472527 1349345938 /nfs/dbraw/zinc/34/59/38/1349345938.db2.gz FDDUJFCLHDWKHT-ZDUSSCGKSA-N -1 1 338.371 2.018 20 0 EEADMM CC[C@@H](O)CN(Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001590477549 1349349267 /nfs/dbraw/zinc/34/92/67/1349349267.db2.gz VDAAOXCTRWEFRN-GFCCVEGCSA-N -1 1 330.417 2.101 20 0 EEADMM CC[C@@H](O)CN(Cc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001590477549 1349349273 /nfs/dbraw/zinc/34/92/73/1349349273.db2.gz VDAAOXCTRWEFRN-GFCCVEGCSA-N -1 1 330.417 2.101 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590478910 1349351327 /nfs/dbraw/zinc/35/13/27/1349351327.db2.gz GCYNBGHGRXNRRR-SNVBAGLBSA-N -1 1 336.421 2.390 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590478910 1349351330 /nfs/dbraw/zinc/35/13/30/1349351330.db2.gz GCYNBGHGRXNRRR-SNVBAGLBSA-N -1 1 336.421 2.390 20 0 EEADMM CC[C@H]1CCC[C@H](Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590507309 1349361255 /nfs/dbraw/zinc/36/12/55/1349361255.db2.gz BQFKZMKYCRVASK-QWRGUYRKSA-N -1 1 330.392 2.429 20 0 EEADMM CC[C@H]1CCC[C@H](Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590507309 1349361263 /nfs/dbraw/zinc/36/12/63/1349361263.db2.gz BQFKZMKYCRVASK-QWRGUYRKSA-N -1 1 330.392 2.429 20 0 EEADMM CCCN(C(=O)C1CC(F)(F)C1)c1snc(C)c1-c1nnn[n-]1 ZINC001590616062 1349377025 /nfs/dbraw/zinc/37/70/25/1349377025.db2.gz PQCUFOQFFRCOBD-UHFFFAOYSA-N -1 1 342.375 2.420 20 0 EEADMM CCCN(C(=O)C1CC(F)(F)C1)c1snc(C)c1-c1nn[n-]n1 ZINC001590616062 1349377030 /nfs/dbraw/zinc/37/70/30/1349377030.db2.gz PQCUFOQFFRCOBD-UHFFFAOYSA-N -1 1 342.375 2.420 20 0 EEADMM CCNc1nnc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001590748496 1349395767 /nfs/dbraw/zinc/39/57/67/1349395767.db2.gz IDEQRMAVKXVJDE-UHFFFAOYSA-N -1 1 346.854 2.411 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C12CCCC2 ZINC001590790587 1349400245 /nfs/dbraw/zinc/40/02/45/1349400245.db2.gz DOGVRKTVBOSBPD-GJZGRUSLSA-N -1 1 328.420 2.142 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C12CCCC2 ZINC001590790587 1349400250 /nfs/dbraw/zinc/40/02/50/1349400250.db2.gz DOGVRKTVBOSBPD-GJZGRUSLSA-N -1 1 328.420 2.142 20 0 EEADMM CCc1nc(C)c(C(=O)OCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001590911723 1349410342 /nfs/dbraw/zinc/41/03/42/1349410342.db2.gz JWTHATQZYXTTOP-UHFFFAOYSA-N -1 1 336.402 2.008 20 0 EEADMM CCc1nc(C)c(C(=O)OCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001590911723 1349410346 /nfs/dbraw/zinc/41/03/46/1349410346.db2.gz JWTHATQZYXTTOP-UHFFFAOYSA-N -1 1 336.402 2.008 20 0 EEADMM CCc1nc(NCc2cc(C)cc(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590922955 1349413920 /nfs/dbraw/zinc/41/39/20/1349413920.db2.gz BSJNFXKFNGMNGC-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(NCc2cc(C)cc(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590922955 1349413921 /nfs/dbraw/zinc/41/39/21/1349413921.db2.gz BSJNFXKFNGMNGC-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCn1c(Cn2c(C)c(C)nc2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC001590947503 1349420869 /nfs/dbraw/zinc/42/08/69/1349420869.db2.gz PTNYVGNUXAPOIV-UHFFFAOYSA-N -1 1 340.366 2.237 20 0 EEADMM CCn1c(Cn2c(C)c(C)nc2-c2nn[n-]n2)nc2cc(F)ccc21 ZINC001590947503 1349420872 /nfs/dbraw/zinc/42/08/72/1349420872.db2.gz PTNYVGNUXAPOIV-UHFFFAOYSA-N -1 1 340.366 2.237 20 0 EEADMM COCCOc1ccccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591446544 1349485357 /nfs/dbraw/zinc/48/53/57/1349485357.db2.gz YSTDDNZPJJICBV-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COc1cc(C)sc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001591522510 1349496786 /nfs/dbraw/zinc/49/67/86/1349496786.db2.gz LAIVLSVOIJAPKZ-UHFFFAOYSA-N -1 1 337.386 2.059 20 0 EEADMM COc1cc(C)sc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001591522510 1349496791 /nfs/dbraw/zinc/49/67/91/1349496791.db2.gz LAIVLSVOIJAPKZ-UHFFFAOYSA-N -1 1 337.386 2.059 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591539801 1349502320 /nfs/dbraw/zinc/50/23/20/1349502320.db2.gz YHBDMCASYHUKTH-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591539801 1349502325 /nfs/dbraw/zinc/50/23/25/1349502325.db2.gz YHBDMCASYHUKTH-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1ccc(OC)c(CNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591620397 1349516684 /nfs/dbraw/zinc/51/66/84/1349516684.db2.gz SFXSAMXGTDJQDA-UHFFFAOYSA-N -1 1 332.389 2.261 20 0 EEADMM COc1cccc(OC)c1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591644721 1349521798 /nfs/dbraw/zinc/52/17/98/1349521798.db2.gz NMNMDZGBWGNBQS-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1cccc(OC)c1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591644721 1349521804 /nfs/dbraw/zinc/52/18/04/1349521804.db2.gz NMNMDZGBWGNBQS-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM Cc1ccc(F)c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1F ZINC001592172736 1349601117 /nfs/dbraw/zinc/60/11/17/1349601117.db2.gz SAPHADIRSACNLX-UHFFFAOYSA-N -1 1 345.313 2.306 20 0 EEADMM Cc1ccc(N2CC[C@H](COc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC001592174339 1349601327 /nfs/dbraw/zinc/60/13/27/1349601327.db2.gz AZGCZFPGXZDJBJ-AWEZNQCLSA-N -1 1 336.399 2.475 20 0 EEADMM Cc1ccc(N2CC[C@H](COc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001592174339 1349601335 /nfs/dbraw/zinc/60/13/35/1349601335.db2.gz AZGCZFPGXZDJBJ-AWEZNQCLSA-N -1 1 336.399 2.475 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001592232769 1349613357 /nfs/dbraw/zinc/61/33/57/1349613357.db2.gz JDSYESJXOPQFFU-UHFFFAOYSA-N -1 1 335.414 2.062 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001592232769 1349613358 /nfs/dbraw/zinc/61/33/58/1349613358.db2.gz JDSYESJXOPQFFU-UHFFFAOYSA-N -1 1 335.414 2.062 20 0 EEADMM Clc1ccc2c(n1)[C@H](NCc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001592533412 1349650003 /nfs/dbraw/zinc/65/00/03/1349650003.db2.gz TTWXLTUOIHPEBW-MRVPVSSYSA-N -1 1 333.808 2.149 20 0 EEADMM Clc1ccc2c(n1)[C@H](NCc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001592533412 1349650006 /nfs/dbraw/zinc/65/00/06/1349650006.db2.gz TTWXLTUOIHPEBW-MRVPVSSYSA-N -1 1 333.808 2.149 20 0 EEADMM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592551587 1349656861 /nfs/dbraw/zinc/65/68/61/1349656861.db2.gz QADPKCWGPMUVOE-MRXNPFEDSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592551587 1349656863 /nfs/dbraw/zinc/65/68/63/1349656863.db2.gz QADPKCWGPMUVOE-MRXNPFEDSA-N -1 1 346.398 2.490 20 0 EEADMM FC(F)(F)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccs1 ZINC001592614730 1349671903 /nfs/dbraw/zinc/67/19/03/1349671903.db2.gz ZFIXLMCXBPFKIM-MRVPVSSYSA-N -1 1 330.295 2.309 20 0 EEADMM FC(F)(F)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccs1 ZINC001592614730 1349671911 /nfs/dbraw/zinc/67/19/11/1349671911.db2.gz ZFIXLMCXBPFKIM-MRVPVSSYSA-N -1 1 330.295 2.309 20 0 EEADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCOC3(CCC3)C2)c1 ZINC001592618124 1349673332 /nfs/dbraw/zinc/67/33/32/1349673332.db2.gz JZSSLMGWSBPCGM-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCOC3(CCC3)C2)c1 ZINC001592618124 1349673337 /nfs/dbraw/zinc/67/33/37/1349673337.db2.gz JZSSLMGWSBPCGM-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM FC(F)(F)c1ccc(CNc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001592619904 1349675546 /nfs/dbraw/zinc/67/55/46/1349675546.db2.gz LLAONPZYRPUGSZ-UHFFFAOYSA-N -1 1 326.307 2.376 20 0 EEADMM FC(F)(F)c1ccc(CNc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001592619904 1349675553 /nfs/dbraw/zinc/67/55/53/1349675553.db2.gz LLAONPZYRPUGSZ-UHFFFAOYSA-N -1 1 326.307 2.376 20 0 EEADMM Fc1cccc(OCCOCC(F)(F)C(F)F)c1-c1nnn[n-]1 ZINC001592658116 1349702605 /nfs/dbraw/zinc/70/26/05/1349702605.db2.gz JWDKYWITJJTHRM-UHFFFAOYSA-N -1 1 338.236 2.302 20 0 EEADMM Fc1cccc(OCCOCC(F)(F)C(F)F)c1-c1nn[n-]n1 ZINC001592658116 1349702610 /nfs/dbraw/zinc/70/26/10/1349702610.db2.gz JWDKYWITJJTHRM-UHFFFAOYSA-N -1 1 338.236 2.302 20 0 EEADMM Fc1cccc(SCc2cn3cccnc3n2)c1-c1nn[n-]n1 ZINC001592658389 1349702871 /nfs/dbraw/zinc/70/28/71/1349702871.db2.gz LNJJEHBPOLTCLY-UHFFFAOYSA-N -1 1 327.348 2.341 20 0 EEADMM Fc1cccc(Oc2ncnc3c2ncn3C2CC2)c1-c1nnn[n-]1 ZINC001592658897 1349702948 /nfs/dbraw/zinc/70/29/48/1349702948.db2.gz ZCHULIPBVZFRSI-UHFFFAOYSA-N -1 1 338.306 2.273 20 0 EEADMM Fc1cccc(Oc2ncnc3c2ncn3C2CC2)c1-c1nn[n-]n1 ZINC001592658897 1349702949 /nfs/dbraw/zinc/70/29/49/1349702949.db2.gz ZCHULIPBVZFRSI-UHFFFAOYSA-N -1 1 338.306 2.273 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592955234 1349729090 /nfs/dbraw/zinc/72/90/90/1349729090.db2.gz LZOVXUSSXSVRGV-GFCCVEGCSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592955234 1349729094 /nfs/dbraw/zinc/72/90/94/1349729094.db2.gz LZOVXUSSXSVRGV-GFCCVEGCSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001592949953 1349729536 /nfs/dbraw/zinc/72/95/36/1349729536.db2.gz PNFXSCXTLHCQCT-JTQLQIEISA-N -1 1 329.282 2.311 20 0 EEADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001592949953 1349729538 /nfs/dbraw/zinc/72/95/38/1349729538.db2.gz PNFXSCXTLHCQCT-JTQLQIEISA-N -1 1 329.282 2.311 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nc(C2CC2)cs1 ZINC001593203621 1349745667 /nfs/dbraw/zinc/74/56/67/1349745667.db2.gz XVCCQTRIPMQMLC-UHFFFAOYSA-N -1 1 328.357 2.159 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ocnc1-c1ccccc1 ZINC001593203604 1349745772 /nfs/dbraw/zinc/74/57/72/1349745772.db2.gz WSHLZVPGSZYABW-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)c1ccccc1F ZINC001593243394 1349748523 /nfs/dbraw/zinc/74/85/23/1349748523.db2.gz KRPPHDQQHOTGNP-UHFFFAOYSA-N -1 1 334.261 2.131 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)c1ccccc1F ZINC001593243394 1349748526 /nfs/dbraw/zinc/74/85/26/1349748526.db2.gz KRPPHDQQHOTGNP-UHFFFAOYSA-N -1 1 334.261 2.131 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccc(N2CCCC2)c1 ZINC001593245435 1349749298 /nfs/dbraw/zinc/74/92/98/1349749298.db2.gz MCBFBKNABFZOTB-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccc(N2CCCC2)c1 ZINC001593245435 1349749300 /nfs/dbraw/zinc/74/93/00/1349749300.db2.gz MCBFBKNABFZOTB-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(OCc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593293714 1349769737 /nfs/dbraw/zinc/76/97/37/1349769737.db2.gz JIIOJSJVTLSTNR-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593293714 1349769742 /nfs/dbraw/zinc/76/97/42/1349769742.db2.gz JIIOJSJVTLSTNR-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCc2cc(F)ccc21 ZINC001593306689 1349775288 /nfs/dbraw/zinc/77/52/88/1349775288.db2.gz DLQGWSHNAJFQQR-NSHDSACASA-N -1 1 345.359 2.236 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCc2cc(F)ccc21 ZINC001593306689 1349775295 /nfs/dbraw/zinc/77/52/95/1349775295.db2.gz DLQGWSHNAJFQQR-NSHDSACASA-N -1 1 345.359 2.236 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(CC(F)(F)F)CC1 ZINC001593336765 1349783718 /nfs/dbraw/zinc/78/37/18/1349783718.db2.gz ASAUCCUSVVWFPW-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(CC(F)(F)F)CC1 ZINC001593336765 1349783724 /nfs/dbraw/zinc/78/37/24/1349783724.db2.gz ASAUCCUSVVWFPW-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1cccs1 ZINC001593348471 1349788203 /nfs/dbraw/zinc/78/82/03/1349788203.db2.gz AEMUQZRZMJXQDO-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1cccs1 ZINC001593348471 1349788209 /nfs/dbraw/zinc/78/82/09/1349788209.db2.gz AEMUQZRZMJXQDO-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2c1cccc2Cl ZINC001593349071 1349788409 /nfs/dbraw/zinc/78/84/09/1349788409.db2.gz YGXYVJYEFNUAJP-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2c1cccc2Cl ZINC001593349071 1349788411 /nfs/dbraw/zinc/78/84/11/1349788411.db2.gz YGXYVJYEFNUAJP-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C1CCCc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc21 ZINC001593395512 1349796869 /nfs/dbraw/zinc/79/68/69/1349796869.db2.gz PTIGRFSGPXYARS-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C1CCCc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc21 ZINC001593395512 1349796872 /nfs/dbraw/zinc/79/68/72/1349796872.db2.gz PTIGRFSGPXYARS-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cc(Cl)ccn1)CCCC2 ZINC001593491891 1349817623 /nfs/dbraw/zinc/81/76/23/1349817623.db2.gz AUMYGBCZXGPLCZ-UHFFFAOYSA-N -1 1 342.790 2.004 20 0 EEADMM OCC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001593530268 1349833043 /nfs/dbraw/zinc/83/30/43/1349833043.db2.gz YPDABWHKSLNWEX-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM OCC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001593530268 1349833049 /nfs/dbraw/zinc/83/30/49/1349833049.db2.gz YPDABWHKSLNWEX-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM c1c(NCCOC2CCCCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543238 1349838124 /nfs/dbraw/zinc/83/81/24/1349838124.db2.gz HGXDMKLQYBLYPF-UHFFFAOYSA-N -1 1 329.408 2.295 20 0 EEADMM c1c(NCCOC2CCCCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543238 1349838126 /nfs/dbraw/zinc/83/81/26/1349838126.db2.gz HGXDMKLQYBLYPF-UHFFFAOYSA-N -1 1 329.408 2.295 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)[C@H]3CCC[C@H]23)cc1 ZINC001593572687 1349856666 /nfs/dbraw/zinc/85/66/66/1349856666.db2.gz DNYHQRNIWPWICA-ILXRZTDVSA-N -1 1 333.399 2.429 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(N2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001593582938 1349864350 /nfs/dbraw/zinc/86/43/50/1349864350.db2.gz GSSPGCFUJDYGDX-AWEZNQCLSA-N -1 1 328.420 2.295 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(N2CCCC[C@H](C3CCOCC3)C2)c1 ZINC001593582938 1349864354 /nfs/dbraw/zinc/86/43/54/1349864354.db2.gz GSSPGCFUJDYGDX-AWEZNQCLSA-N -1 1 328.420 2.295 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001593586933 1349865313 /nfs/dbraw/zinc/86/53/13/1349865313.db2.gz QKJWLDFYHCANQH-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001593586933 1349865316 /nfs/dbraw/zinc/86/53/16/1349865316.db2.gz QKJWLDFYHCANQH-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM Cc1cc(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)oc1C(=O)[O-] ZINC001600098388 1349970690 /nfs/dbraw/zinc/97/06/90/1349970690.db2.gz QCKFMBCTEQCCGK-UHFFFAOYSA-N -1 1 327.296 2.430 20 0 EEADMM Cc1cc(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c1C(=O)[O-] ZINC001600190693 1349988826 /nfs/dbraw/zinc/98/88/26/1349988826.db2.gz VDEAOMRYZHZLCM-CYBMUJFWSA-N -1 1 337.420 2.463 20 0 EEADMM Cc1cc(CNCc2ccnc(OC3CCOCC3)c2)[nH]c1C(=O)[O-] ZINC001600209341 1349993638 /nfs/dbraw/zinc/99/36/38/1349993638.db2.gz GFQUWCQDKYXPPV-UHFFFAOYSA-N -1 1 345.399 2.264 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600241090 1350000188 /nfs/dbraw/zinc/00/01/88/1350000188.db2.gz NLCCZHXHJCCGGM-LSDHHAIUSA-N -1 1 345.443 2.186 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)nc(C)c1C(=O)[O-] ZINC001600273512 1350007914 /nfs/dbraw/zinc/00/79/14/1350007914.db2.gz UFYHLLWBOIXQCC-UHFFFAOYSA-N -1 1 339.355 2.378 20 0 EEADMM Cc1ccc(-c2noc(CN3CCSC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001600319245 1350019381 /nfs/dbraw/zinc/01/93/81/1350019381.db2.gz CIJQGADKSNRYKJ-CYBMUJFWSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1ccc([C@H](NCCn2cc(C(=O)[O-])nn2)c2cccnc2)cc1 ZINC001600385854 1350037018 /nfs/dbraw/zinc/03/70/18/1350037018.db2.gz SFDBKPCTVOCKCX-KRWDZBQOSA-N -1 1 337.383 2.059 20 0 EEADMM Cc1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1C(=O)[O-] ZINC001600409561 1350043741 /nfs/dbraw/zinc/04/37/41/1350043741.db2.gz DMZFWKITOOWZJV-ZDUSSCGKSA-N -1 1 344.333 2.288 20 0 EEADMM Cc1ccc(CNC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)cc1F ZINC001600414815 1350045622 /nfs/dbraw/zinc/04/56/22/1350045622.db2.gz GXIKXPNZDZLYTP-KRWDZBQOSA-N -1 1 336.407 2.373 20 0 EEADMM Cc1ccccc1C(=O)NC1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001600564884 1350084135 /nfs/dbraw/zinc/08/41/35/1350084135.db2.gz WOAWAEDASXUZPC-UHFFFAOYSA-N -1 1 341.411 2.416 20 0 EEADMM Cc1nc(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)sc1C(=O)[O-] ZINC001600712691 1350119711 /nfs/dbraw/zinc/11/97/11/1350119711.db2.gz GXQHRJVKSUPTIB-UHFFFAOYSA-N -1 1 331.357 2.131 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H](C)N1CCCCCC1 ZINC001600786648 1350136921 /nfs/dbraw/zinc/13/69/21/1350136921.db2.gz CAVHIGKEUAHEDL-CQSZACIVSA-N -1 1 336.436 2.178 20 0 EEADMM Cn1cc([C@H](N[C@@H](C(=O)[O-])c2ccc(F)cc2)C2(CO)CCC2)cn1 ZINC001600941558 1350173341 /nfs/dbraw/zinc/17/33/41/1350173341.db2.gz WJMSEYYDYACWBM-CVEARBPZSA-N -1 1 347.390 2.178 20 0 EEADMM Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncc(C(=O)[O-])c2)cn1 ZINC001600943528 1350173664 /nfs/dbraw/zinc/17/36/64/1350173664.db2.gz AUXKXGFPTWWRGH-FUCXHRTASA-N -1 1 326.400 2.424 20 0 EEADMM Cn1cc(CN2CCC[C@H](Oc3ncccc3F)C2)cc1C(=O)[O-] ZINC001600951391 1350175782 /nfs/dbraw/zinc/17/57/82/1350175782.db2.gz JECODFGFTNCUNW-ZDUSSCGKSA-N -1 1 333.363 2.301 20 0 EEADMM NC(=O)Cc1ccc(CNCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001601153372 1350221290 /nfs/dbraw/zinc/22/12/90/1350221290.db2.gz QIUAKNCIRQSYHP-UHFFFAOYSA-N -1 1 332.787 2.356 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC001601303213 1350253107 /nfs/dbraw/zinc/25/31/07/1350253107.db2.gz NVGSRSARYQKCQA-GLQYFDAESA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC001601311119 1350254739 /nfs/dbraw/zinc/25/47/39/1350254739.db2.gz SZCTWGKZHFPEJJ-RYUDHWBXSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)C1CCCCC1 ZINC001601393771 1350272867 /nfs/dbraw/zinc/27/28/67/1350272867.db2.gz GVMXTGGUAKMTKL-INIZCTEOSA-N -1 1 342.399 2.159 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cnn(-c4cccnc4)c3)[nH]c21 ZINC001601631061 1350323857 /nfs/dbraw/zinc/32/38/57/1350323857.db2.gz OSCGLNMZKXJAKI-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc4cccnc4n3)[nH]c21 ZINC001601632901 1350324133 /nfs/dbraw/zinc/32/41/33/1350324133.db2.gz MOHRFYSRUJOXPS-UHFFFAOYSA-N -1 1 333.307 2.457 20 0 EEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC001601707376 1350344096 /nfs/dbraw/zinc/34/40/96/1350344096.db2.gz OERPXEFUYZVDFG-ZDUSSCGKSA-N -1 1 330.262 2.372 20 0 EEADMM O=C([O-])[C@H]1[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1(F)F ZINC001601753927 1350357341 /nfs/dbraw/zinc/35/73/41/1350357341.db2.gz ZDLIZCJEILCTKS-UONOGXRCSA-N -1 1 344.789 2.424 20 0 EEADMM O=C([O-])/C=C\c1ccc(OCC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001601883880 1350390371 /nfs/dbraw/zinc/39/03/71/1350390371.db2.gz OSKVQUNTJBTCRG-UCYIYVBKSA-N -1 1 345.395 2.206 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)NCc2ccc3cncn3c2)c1 ZINC001602092738 1350435595 /nfs/dbraw/zinc/43/55/95/1350435595.db2.gz ACBAKCGHBDKCBB-UHFFFAOYSA-N -1 1 340.339 2.119 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1cnn(CC2CCC2)c1 ZINC001602095443 1350436729 /nfs/dbraw/zinc/43/67/29/1350436729.db2.gz UPASOSYXNIPGFP-UHFFFAOYSA-N -1 1 329.400 2.436 20 0 EEADMM O=C([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(F)ccc1O ZINC001602276529 1350483997 /nfs/dbraw/zinc/48/39/97/1350483997.db2.gz FDHRGTXNBFGSOL-UHFFFAOYSA-N -1 1 329.280 2.169 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cn1 ZINC001602319367 1350493070 /nfs/dbraw/zinc/49/30/70/1350493070.db2.gz BJQRXEGSGJZBIE-QGZVFWFLSA-N -1 1 348.362 2.291 20 0 EEADMM O=C([O-])c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(F)c1 ZINC001602339127 1350498298 /nfs/dbraw/zinc/49/82/98/1350498298.db2.gz CKDQSHJXEWJLDW-IAGOWNOFSA-N -1 1 331.343 2.148 20 0 EEADMM O=C([O-])c1cn(C2CCN(CCc3c(F)cccc3F)CC2)nn1 ZINC001602499602 1350533112 /nfs/dbraw/zinc/53/31/12/1350533112.db2.gz UGKFEOVRCJBSNN-UHFFFAOYSA-N -1 1 336.342 2.134 20 0 EEADMM O=C([O-])c1cnc(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)s1 ZINC001602519285 1350537117 /nfs/dbraw/zinc/53/71/17/1350537117.db2.gz CZMPOIPUVJKYMX-SUMWQHHRSA-N -1 1 330.409 2.241 20 0 EEADMM O=C([O-])c1cnc(CNCCOc2ncccc2C(F)(F)F)s1 ZINC001602523402 1350538475 /nfs/dbraw/zinc/53/84/75/1350538475.db2.gz NMPCHXHNXKYRDS-UHFFFAOYSA-N -1 1 347.318 2.424 20 0 EEADMM CC(C)(C)CCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001603074504 1350633800 /nfs/dbraw/zinc/63/38/00/1350633800.db2.gz LVZRBLRIDCIEFI-UHFFFAOYSA-N -1 1 326.198 2.227 20 0 EEADMM CC(C)[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1(CO)CC=CC1 ZINC001603228181 1350664881 /nfs/dbraw/zinc/66/48/81/1350664881.db2.gz AWBRXJBBHCGRFB-ZDUSSCGKSA-N -1 1 347.444 2.011 20 0 EEADMM CC(C)C[C@@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603270024 1350675861 /nfs/dbraw/zinc/67/58/61/1350675861.db2.gz JLOWQXBNVQCULY-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603269921 1350676029 /nfs/dbraw/zinc/67/60/29/1350676029.db2.gz GNJIRODPMOGTTK-NWDGAFQWSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN1CC(C)(C(=O)[O-])C1 ZINC001603385626 1350699112 /nfs/dbraw/zinc/69/91/12/1350699112.db2.gz QPVJOWUKQBHHRD-JTQLQIEISA-N -1 1 334.363 2.038 20 0 EEADMM CC(C)(C)c1nnc(COC(=O)CCc2ccccc2C(=O)[O-])[nH]1 ZINC001603551502 1350718311 /nfs/dbraw/zinc/71/83/11/1350718311.db2.gz UIKZJPPDSWBFJV-UHFFFAOYSA-N -1 1 331.372 2.476 20 0 EEADMM CC(C)(C)c1nc(COC(=O)CCc2ccccc2C(=O)[O-])n[nH]1 ZINC001603551502 1350718314 /nfs/dbraw/zinc/71/83/14/1350718314.db2.gz UIKZJPPDSWBFJV-UHFFFAOYSA-N -1 1 331.372 2.476 20 0 EEADMM C[C@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1nccs1 ZINC001603553653 1350718958 /nfs/dbraw/zinc/71/89/58/1350718958.db2.gz WDKVDASACYCHHH-MRVPVSSYSA-N -1 1 328.405 2.206 20 0 EEADMM C[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1nccs1 ZINC001603553653 1350718961 /nfs/dbraw/zinc/71/89/61/1350718961.db2.gz WDKVDASACYCHHH-MRVPVSSYSA-N -1 1 328.405 2.206 20 0 EEADMM C[C@@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1nccn1C ZINC001603678166 1350740354 /nfs/dbraw/zinc/74/03/54/1350740354.db2.gz GKYIYOGILCMRLS-SSDOTTSWSA-N -1 1 338.297 2.187 20 0 EEADMM C[C@@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1nccn1C ZINC001603678166 1350740356 /nfs/dbraw/zinc/74/03/56/1350740356.db2.gz GKYIYOGILCMRLS-SSDOTTSWSA-N -1 1 338.297 2.187 20 0 EEADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1cc(C(=O)[O-])no1 ZINC001603710304 1350747887 /nfs/dbraw/zinc/74/78/87/1350747887.db2.gz UIDVWBNFWBNYIV-INIZCTEOSA-N -1 1 341.408 2.402 20 0 EEADMM CC1=CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001603828425 1350777859 /nfs/dbraw/zinc/77/78/59/1350777859.db2.gz WOGBAUXYAJYITP-UHFFFAOYSA-N -1 1 338.293 2.073 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](c2ccccc2)O1 ZINC001603936550 1350806337 /nfs/dbraw/zinc/80/63/37/1350806337.db2.gz SJHPHCGFTYJQPR-FZMZJTMJSA-N -1 1 342.428 2.285 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](c2ccccc2)O1 ZINC001603936550 1350806340 /nfs/dbraw/zinc/80/63/40/1350806340.db2.gz SJHPHCGFTYJQPR-FZMZJTMJSA-N -1 1 342.428 2.285 20 0 EEADMM CC[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC001603997859 1350824687 /nfs/dbraw/zinc/82/46/87/1350824687.db2.gz PHSNQTQBCYCHJA-LLVKDONJSA-N -1 1 340.387 2.450 20 0 EEADMM CC[C@@H](C)C[C@H](CO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001604001383 1350826599 /nfs/dbraw/zinc/82/65/99/1350826599.db2.gz TUZLPFHRSLRXAY-GHMZBOCLSA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@@H](C)C[C@H](CO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001604001383 1350826600 /nfs/dbraw/zinc/82/66/00/1350826600.db2.gz TUZLPFHRSLRXAY-GHMZBOCLSA-N -1 1 327.392 2.019 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604085821 1350850725 /nfs/dbraw/zinc/85/07/25/1350850725.db2.gz MAOWRYQDNGPZFI-CHWSQXEVSA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604085821 1350850729 /nfs/dbraw/zinc/85/07/29/1350850729.db2.gz MAOWRYQDNGPZFI-CHWSQXEVSA-N -1 1 333.392 2.125 20 0 EEADMM CCC[C@@]1(C)CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001604151440 1350875655 /nfs/dbraw/zinc/87/56/55/1350875655.db2.gz GNEAFMNKFFVBOS-HNNXBMFYSA-N -1 1 349.464 2.435 20 0 EEADMM CCC[C@@]1(C)CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001604151440 1350875659 /nfs/dbraw/zinc/87/56/59/1350875659.db2.gz GNEAFMNKFFVBOS-HNNXBMFYSA-N -1 1 349.464 2.435 20 0 EEADMM C[C@@H](CN(Cc1ccccc1)C(=O)CCN1CC[C@@H](F)C1)C(=O)[O-] ZINC001604160720 1350879429 /nfs/dbraw/zinc/87/94/29/1350879429.db2.gz GKGKLCVTPGECAY-GOEBONIOSA-N -1 1 336.407 2.170 20 0 EEADMM C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)NCc1cccs1 ZINC001604324198 1350915520 /nfs/dbraw/zinc/91/55/20/1350915520.db2.gz IEXQXXRTZPBSIO-SWLSCSKDSA-N -1 1 332.425 2.038 20 0 EEADMM CCOC(=O)[C@@H](CC)[C@@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604364226 1350923977 /nfs/dbraw/zinc/92/39/77/1350923977.db2.gz VTXLOHYIAUSNKO-SCZZXKLOSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@@H](CC)[C@@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604364226 1350923979 /nfs/dbraw/zinc/92/39/79/1350923979.db2.gz VTXLOHYIAUSNKO-SCZZXKLOSA-N -1 1 338.389 2.063 20 0 EEADMM C[C@H](Oc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1F)C(=O)[O-] ZINC001604435007 1350937020 /nfs/dbraw/zinc/93/70/20/1350937020.db2.gz QFLXCPZDDWPILJ-GXSJLCMTSA-N -1 1 347.346 2.459 20 0 EEADMM CCOc1ccc([C@@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001604458100 1350941619 /nfs/dbraw/zinc/94/16/19/1350941619.db2.gz VFUCYAYITKWKGP-SNVBAGLBSA-N -1 1 327.344 2.349 20 0 EEADMM CCOc1ccc([C@@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001604458100 1350941623 /nfs/dbraw/zinc/94/16/23/1350941623.db2.gz VFUCYAYITKWKGP-SNVBAGLBSA-N -1 1 327.344 2.349 20 0 EEADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460564 1350942260 /nfs/dbraw/zinc/94/22/60/1350942260.db2.gz RWJWQRHJVCSYJW-UWVGGRQHSA-N -1 1 348.321 2.429 20 0 EEADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460564 1350942262 /nfs/dbraw/zinc/94/22/62/1350942262.db2.gz RWJWQRHJVCSYJW-UWVGGRQHSA-N -1 1 348.321 2.429 20 0 EEADMM CCc1nc(NC[C@@]2(C)CC2(Cl)Cl)cc(-c2nnn[n-]2)n1 ZINC001604563169 1350961329 /nfs/dbraw/zinc/96/13/29/1350961329.db2.gz JOQYNRLJKURFRT-LLVKDONJSA-N -1 1 328.207 2.215 20 0 EEADMM CCc1nc(NC[C@@]2(C)CC2(Cl)Cl)cc(-c2nn[n-]n2)n1 ZINC001604563169 1350961330 /nfs/dbraw/zinc/96/13/30/1350961330.db2.gz JOQYNRLJKURFRT-LLVKDONJSA-N -1 1 328.207 2.215 20 0 EEADMM CCn1nc(C)c(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1C ZINC001604618031 1350971465 /nfs/dbraw/zinc/97/14/65/1350971465.db2.gz WICSPOHDYPRGJJ-UHFFFAOYSA-N -1 1 347.329 2.230 20 0 EEADMM CCn1nc(C)c(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1C ZINC001604618031 1350971467 /nfs/dbraw/zinc/97/14/67/1350971467.db2.gz WICSPOHDYPRGJJ-UHFFFAOYSA-N -1 1 347.329 2.230 20 0 EEADMM CN(Cc1ccccc1Br)c1ncncc1-c1nn[n-]n1 ZINC001604818081 1351015227 /nfs/dbraw/zinc/01/52/27/1351015227.db2.gz AWFNFRZVQFEXLQ-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM COC(=O)c1ccc(COc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001604972243 1351042565 /nfs/dbraw/zinc/04/25/65/1351042565.db2.gz QCYQLPMNIBWAPB-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COC(=O)c1ccc(COc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001604972243 1351042567 /nfs/dbraw/zinc/04/25/67/1351042567.db2.gz QCYQLPMNIBWAPB-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COC(=O)c1ccc(N(C)Cc2ccc(C)s2)c(-c2nnn[n-]2)n1 ZINC001604973125 1351043134 /nfs/dbraw/zinc/04/31/34/1351043134.db2.gz LDXKTEYUFQARNN-UHFFFAOYSA-N -1 1 344.400 2.055 20 0 EEADMM COC(=O)c1ccc(N(C)Cc2ccc(C)s2)c(-c2nn[n-]n2)n1 ZINC001604973125 1351043137 /nfs/dbraw/zinc/04/31/37/1351043137.db2.gz LDXKTEYUFQARNN-UHFFFAOYSA-N -1 1 344.400 2.055 20 0 EEADMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001605172250 1351094789 /nfs/dbraw/zinc/09/47/89/1351094789.db2.gz CNERCUOUGVDJPS-IRXDYDNUSA-N -1 1 348.443 2.371 20 0 EEADMM COc1cc2ccncc2cc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605240176 1351113634 /nfs/dbraw/zinc/11/36/34/1351113634.db2.gz RSXZKXSQBDCKOZ-UHFFFAOYSA-N -1 1 348.322 2.038 20 0 EEADMM COc1cc2ccncc2cc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605240176 1351113635 /nfs/dbraw/zinc/11/36/35/1351113635.db2.gz RSXZKXSQBDCKOZ-UHFFFAOYSA-N -1 1 348.322 2.038 20 0 EEADMM COc1ncc(NC(=O)c2ccc3[nH]ccc3c2)cc1-c1nn[n-]n1 ZINC001605348298 1351142702 /nfs/dbraw/zinc/14/27/02/1351142702.db2.gz KSFKQTOAWREWGF-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ncc(NC(=O)c2cccc(C(C)C)n2)cc1-c1nn[n-]n1 ZINC001605347714 1351142770 /nfs/dbraw/zinc/14/27/70/1351142770.db2.gz DDDHYAVSSKZMLP-UHFFFAOYSA-N -1 1 339.359 2.041 20 0 EEADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccc(Cl)cc1 ZINC001605397650 1351153267 /nfs/dbraw/zinc/15/32/67/1351153267.db2.gz MTVRDFIRLSGSPW-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccc(Cl)cc1 ZINC001605397650 1351153270 /nfs/dbraw/zinc/15/32/70/1351153270.db2.gz MTVRDFIRLSGSPW-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](Cc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001605436470 1351157617 /nfs/dbraw/zinc/15/76/17/1351157617.db2.gz AEFMXFHJFWSDHV-SNVBAGLBSA-N -1 1 329.385 2.245 20 0 EEADMM C[C@H](Cc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001605436470 1351157619 /nfs/dbraw/zinc/15/76/19/1351157619.db2.gz AEFMXFHJFWSDHV-SNVBAGLBSA-N -1 1 329.385 2.245 20 0 EEADMM Cc1c(Br)cccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001605468900 1351164035 /nfs/dbraw/zinc/16/40/35/1351164035.db2.gz QKQOZQCNPQFNQT-UHFFFAOYSA-N -1 1 347.176 2.307 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC001605510927 1351174753 /nfs/dbraw/zinc/17/47/53/1351174753.db2.gz OPYFIDONTXPQKL-HOCLYGCPSA-N -1 1 337.383 2.257 20 0 EEADMM CCOC(=O)C1(C)CC(NCc2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC001605517107 1351176987 /nfs/dbraw/zinc/17/69/87/1351176987.db2.gz GGYDBOJXSJIDFC-UHFFFAOYSA-N -1 1 326.780 2.255 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H]1CCCO1 ZINC001605667730 1351213651 /nfs/dbraw/zinc/21/36/51/1351213651.db2.gz YZDGARGKNOQSQI-JTQLQIEISA-N -1 1 345.790 2.322 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nnn[n-]1 ZINC001605667135 1351213866 /nfs/dbraw/zinc/21/38/66/1351213866.db2.gz FRSYZUSNGSGVGR-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C)c(C)cc2Cl)c1-c1nn[n-]n1 ZINC001605667135 1351213872 /nfs/dbraw/zinc/21/38/72/1351213872.db2.gz FRSYZUSNGSGVGR-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1cc(NC[C@H](c2ccnn2C)C(C)C)nc(-c2nnn[n-]2)c1 ZINC001605728473 1351218989 /nfs/dbraw/zinc/21/89/89/1351218989.db2.gz LJZNWYNVBDAMDH-LBPRGKRZSA-N -1 1 326.408 2.155 20 0 EEADMM Cc1cc(NC[C@H](c2ccnn2C)C(C)C)nc(-c2nn[n-]n2)c1 ZINC001605728473 1351218990 /nfs/dbraw/zinc/21/89/90/1351218990.db2.gz LJZNWYNVBDAMDH-LBPRGKRZSA-N -1 1 326.408 2.155 20 0 EEADMM Cc1ccc(NCC[C@@H](NC2CC2)C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001605874855 1351243204 /nfs/dbraw/zinc/24/32/04/1351243204.db2.gz SJZJAQIBHUSPLO-LLVKDONJSA-N -1 1 341.341 2.055 20 0 EEADMM Cc1ccc(NCC[C@@H](NC2CC2)C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001605874855 1351243206 /nfs/dbraw/zinc/24/32/06/1351243206.db2.gz SJZJAQIBHUSPLO-LLVKDONJSA-N -1 1 341.341 2.055 20 0 EEADMM Cc1ccc2c(c1)N(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605888236 1351247572 /nfs/dbraw/zinc/24/75/72/1351247572.db2.gz ARSLRGJGGJKWCI-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1ccc2c(c1)N(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605888236 1351247573 /nfs/dbraw/zinc/24/75/73/1351247573.db2.gz ARSLRGJGGJKWCI-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1cccc(O[C@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605921343 1351254461 /nfs/dbraw/zinc/25/44/61/1351254461.db2.gz KJBYCIXGGSQVAW-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(O[C@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605921343 1351254463 /nfs/dbraw/zinc/25/44/63/1351254463.db2.gz KJBYCIXGGSQVAW-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM FC(F)(F)c1cc(CNCc2nc(-c3nnn[n-]3)cs2)ccn1 ZINC001606291892 1351289361 /nfs/dbraw/zinc/28/93/61/1351289361.db2.gz IGVIXTQVWHCZFG-UHFFFAOYSA-N -1 1 341.322 2.027 20 0 EEADMM FC(F)(F)c1cc(CNCc2nc(-c3nn[n-]n3)cs2)ccn1 ZINC001606291892 1351289366 /nfs/dbraw/zinc/28/93/66/1351289366.db2.gz IGVIXTQVWHCZFG-UHFFFAOYSA-N -1 1 341.322 2.027 20 0 EEADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606475968 1351307232 /nfs/dbraw/zinc/30/72/32/1351307232.db2.gz FJUHUXHXHKUODL-CLLJXQQHSA-N -1 1 338.415 2.367 20 0 EEADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606475968 1351307234 /nfs/dbraw/zinc/30/72/34/1351307234.db2.gz FJUHUXHXHKUODL-CLLJXQQHSA-N -1 1 338.415 2.367 20 0 EEADMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606498865 1351312692 /nfs/dbraw/zinc/31/26/92/1351312692.db2.gz QBCFLSMTXPKUHU-JGVFFNPUSA-N -1 1 343.313 2.287 20 0 EEADMM COC(=O)c1cc(NC(=O)CN(C)C[C@H]2CC2(C)C)cc(C(=O)[O-])c1 ZINC001606550355 1351320989 /nfs/dbraw/zinc/32/09/89/1351320989.db2.gz OOGPSHFLOMZQPG-CYBMUJFWSA-N -1 1 348.399 2.088 20 0 EEADMM COC[C@@](C)(CCO)NCc1cc(C(=O)[O-])ccc1Br ZINC001606786147 1351356288 /nfs/dbraw/zinc/35/62/88/1351356288.db2.gz LACAMXWFYQOBIQ-CQSZACIVSA-N -1 1 346.221 2.024 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1c(F)cccc1Cl ZINC001606844727 1351365596 /nfs/dbraw/zinc/36/55/96/1351365596.db2.gz VZJJUFPRVCHZMY-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1c(F)cccc1Cl ZINC001606844727 1351365600 /nfs/dbraw/zinc/36/56/00/1351365600.db2.gz VZJJUFPRVCHZMY-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(OC[C@H]1CCO[C@@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606968270 1351386714 /nfs/dbraw/zinc/38/67/14/1351386714.db2.gz WYTAZBXZUJMZLP-IUODEOHRSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OC[C@H]1CCO[C@@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606968270 1351386716 /nfs/dbraw/zinc/38/67/16/1351386716.db2.gz WYTAZBXZUJMZLP-IUODEOHRSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC001606982240 1351391708 /nfs/dbraw/zinc/39/17/08/1351391708.db2.gz IAFMNUBFQHCGLM-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC001606982240 1351391712 /nfs/dbraw/zinc/39/17/12/1351391712.db2.gz IAFMNUBFQHCGLM-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(C2CCCC2)CC1 ZINC001607021666 1351399747 /nfs/dbraw/zinc/39/97/47/1351399747.db2.gz WEYVNLDXCBSGJC-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(C2CCCC2)CC1 ZINC001607021666 1351399754 /nfs/dbraw/zinc/39/97/54/1351399754.db2.gz WEYVNLDXCBSGJC-UHFFFAOYSA-N -1 1 326.404 2.304 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]2CCCC[C@@H]12 ZINC001607099206 1351417378 /nfs/dbraw/zinc/41/73/78/1351417378.db2.gz FOHFOUANJZITDJ-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]2CCCC[C@@H]12 ZINC001607099206 1351417379 /nfs/dbraw/zinc/41/73/79/1351417379.db2.gz FOHFOUANJZITDJ-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM c1nc(CSc2cccnc2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC001607126230 1351429586 /nfs/dbraw/zinc/42/95/86/1351429586.db2.gz IHAGXYVSIBTOQA-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nc(CSc2cccnc2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC001607126230 1351429588 /nfs/dbraw/zinc/42/95/88/1351429588.db2.gz IHAGXYVSIBTOQA-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(C(C)(C)C)CC1 ZINC001607126677 1351429596 /nfs/dbraw/zinc/42/95/96/1351429596.db2.gz KOVUFFBFCHMCSE-UHFFFAOYSA-N -1 1 335.404 2.341 20 0 EEADMM c1ccc([C@@H]2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607128222 1351430466 /nfs/dbraw/zinc/43/04/66/1351430466.db2.gz BNJZIUZARWOYSE-GJZGRUSLSA-N -1 1 335.415 2.465 20 0 EEADMM COc1ccc(CN2CCCN(Cc3cc(C(=O)[O-])no3)CC2)cc1 ZINC001607253142 1351459092 /nfs/dbraw/zinc/45/90/92/1351459092.db2.gz CJDQWTXYPVLDCW-UHFFFAOYSA-N -1 1 345.399 2.089 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)N(C)C ZINC001607416770 1351491474 /nfs/dbraw/zinc/49/14/74/1351491474.db2.gz PEQMEVHIHZIMHX-NSHDSACASA-N -1 1 329.356 2.461 20 0 EEADMM C[C@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001607470137 1351498949 /nfs/dbraw/zinc/49/89/49/1351498949.db2.gz LCBMCVIJPZZXQU-IYOUNJFTSA-N -1 1 349.431 2.169 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C)c1C(=O)[O-] ZINC001607486611 1351502659 /nfs/dbraw/zinc/50/26/59/1351502659.db2.gz VLZWAEZVUXPMLC-BFHYXJOUSA-N -1 1 334.416 2.138 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1C ZINC001607512419 1351508147 /nfs/dbraw/zinc/50/81/47/1351508147.db2.gz YXELWKSIDWYZSI-GXFFZTMASA-N -1 1 334.338 2.167 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@H](C)CO ZINC001607741275 1351550292 /nfs/dbraw/zinc/55/02/92/1351550292.db2.gz HFDOXKMKRRHBQY-CJNGLKHVSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccnc(-c2nnc([C@@H](C)[NH2+]Cc3ccc(C(=O)[O-])n3C)[n-]2)c1 ZINC001607893204 1351580705 /nfs/dbraw/zinc/58/07/05/1351580705.db2.gz MNPSCVOJNJJNNA-LLVKDONJSA-N -1 1 340.387 2.063 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2cc(C)c(C(=O)[O-])s2)[nH]1 ZINC001608017294 1351608159 /nfs/dbraw/zinc/60/81/59/1351608159.db2.gz RBKJSLOYPMIMPL-UHFFFAOYSA-N -1 1 326.403 2.302 20 0 EEADMM Cc1oc(CNCc2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] ZINC001608050283 1351614928 /nfs/dbraw/zinc/61/49/28/1351614928.db2.gz AREOAYCVSSFMDE-UHFFFAOYSA-N -1 1 329.356 2.106 20 0 EEADMM Cn1cc(CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1C(=O)[O-] ZINC001608111771 1351627326 /nfs/dbraw/zinc/62/73/26/1351627326.db2.gz ATFFNNMSALOECM-LJQANCHMSA-N -1 1 340.379 2.333 20 0 EEADMM Cn1nc(C(F)(F)F)cc1CN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001608145813 1351634273 /nfs/dbraw/zinc/63/42/73/1351634273.db2.gz SLWKKFSTWWELMR-GFCCVEGCSA-N -1 1 329.278 2.060 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@@H](c2ccccn2)C2CC2)c1 ZINC001608339494 1351673959 /nfs/dbraw/zinc/67/39/59/1351673959.db2.gz YWUBKCRFFYMCMB-QGZVFWFLSA-N -1 1 325.368 2.459 20 0 EEADMM CCOc1cc(C(=O)N2CC[C@]3(CCOC3=O)C2)cc(Cl)c1[O-] ZINC001646629943 1352892671 /nfs/dbraw/zinc/89/26/71/1352892671.db2.gz IRUKCXBYQPWCLL-INIZCTEOSA-N -1 1 339.775 2.224 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)C34CCC(CC3)CC4)nc2n1 ZINC001647643177 1353359339 /nfs/dbraw/zinc/35/93/39/1353359339.db2.gz OHFSMFYAHVHYSN-UHFFFAOYSA-N -1 1 329.404 2.279 20 0 EEADMM O=C([O-])[C@@H](O)CNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001650015238 1353688952 /nfs/dbraw/zinc/68/89/52/1353688952.db2.gz KDJVPHPXRIGZHL-NSHDSACASA-N -1 1 346.330 2.364 20 0 EEADMM O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ncccc1[O-] ZINC001653351833 1354121412 /nfs/dbraw/zinc/12/14/12/1354121412.db2.gz XRZDDXOUZXQMIO-UHFFFAOYSA-N -1 1 339.326 2.389 20 0 EEADMM O=S(=O)([N-]Cc1cnn2ccccc12)c1ccc(C(F)F)o1 ZINC001655282024 1354169457 /nfs/dbraw/zinc/16/94/57/1354169457.db2.gz QOEAVHCNMHKPGN-UHFFFAOYSA-N -1 1 327.312 2.343 20 0 EEADMM Cc1nc(CS(=O)(=O)[N-][C@H](C)c2ncc(-c3ccccc3)o2)no1 ZINC001660367610 1354450443 /nfs/dbraw/zinc/45/04/43/1354450443.db2.gz DOZZZCJDDGEENV-SNVBAGLBSA-N -1 1 348.384 2.214 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc3nonc3c2)c(F)c1 ZINC001664693252 1355213435 /nfs/dbraw/zinc/21/34/35/1355213435.db2.gz PUIHPYOKPCDGIA-UHFFFAOYSA-N -1 1 339.323 2.288 20 0 EEADMM CN(CCCn1ccnc1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001672126743 1356465751 /nfs/dbraw/zinc/46/57/51/1356465751.db2.gz SAHQVDFYWHILIL-UHFFFAOYSA-N -1 1 340.387 2.328 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)Nc1c(F)cc(F)cc1F ZINC001186078503 1368182437 /nfs/dbraw/zinc/18/24/37/1368182437.db2.gz NXVBNZKSBGAZJT-UHFFFAOYSA-N -1 1 326.211 2.183 20 0 EEADMM CSc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccn1 ZINC001186899816 1368217649 /nfs/dbraw/zinc/21/76/49/1368217649.db2.gz NKAKPALXASUCCO-UHFFFAOYSA-N -1 1 335.410 2.099 20 0 EEADMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1 ZINC001193052250 1368443163 /nfs/dbraw/zinc/44/31/63/1368443163.db2.gz QXPQOPOSEPPMKK-UHFFFAOYSA-N -1 1 342.417 2.037 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1cnc(OC)c(Br)c1 ZINC001195449034 1368530901 /nfs/dbraw/zinc/53/09/01/1368530901.db2.gz BADSQYQHNYHPRY-UHFFFAOYSA-N -1 1 334.195 2.296 20 0 EEADMM Cc1cc(Br)oc1C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001197318551 1368615269 /nfs/dbraw/zinc/61/52/69/1368615269.db2.gz MXHSTCLZCOIPQS-UHFFFAOYSA-N -1 1 343.093 2.202 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])c2ccccc2n1 ZINC001198730431 1368641696 /nfs/dbraw/zinc/64/16/96/1368641696.db2.gz NPCNCDGMZSFVLP-UHFFFAOYSA-N -1 1 342.376 2.464 20 0 EEADMM O=C1CC(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)C1 ZINC001201275582 1368801316 /nfs/dbraw/zinc/80/13/16/1368801316.db2.gz BCPFHBHUAVHGFN-UHFFFAOYSA-N -1 1 326.176 2.390 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H]1CCCc2nccnc21 ZINC001201771022 1368843582 /nfs/dbraw/zinc/84/35/82/1368843582.db2.gz ZMSPOKNCPVFRJZ-VIFPVBQESA-N -1 1 344.849 2.251 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC(C)(C)F ZINC000852553191 1369281184 /nfs/dbraw/zinc/28/11/84/1369281184.db2.gz NQFQCFOEJIHDAF-NXEZZACHSA-N -1 1 341.349 2.366 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000841837733 1369912781 /nfs/dbraw/zinc/91/27/81/1369912781.db2.gz UDDNACACQMIJOP-ZDUSSCGKSA-N -1 1 343.387 2.376 20 0 EEADMM CC(C)CCCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952063 1370585495 /nfs/dbraw/zinc/58/54/95/1370585495.db2.gz HHXLSGDUODWELC-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H](CNc1ncc(Cl)cn1)C1CC1 ZINC001115508727 1371651203 /nfs/dbraw/zinc/65/12/03/1371651203.db2.gz ZLXKUGZMSDPVDY-GFCCVEGCSA-N -1 1 347.806 2.193 20 0 EEADMM COc1ccc([C@H]2CCCN2c2nnc(-c3c[n-][nH]c3=O)n2C)cc1 ZINC001121469789 1371885077 /nfs/dbraw/zinc/88/50/77/1371885077.db2.gz MPELVWDXFWFNPF-CQSZACIVSA-N -1 1 340.387 2.261 20 0 EEADMM CC(C)CC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001389531535 1388176047 /nfs/dbraw/zinc/17/60/47/1388176047.db2.gz CCUSMRWNYAIGCK-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C/C2CCCC2)cc1 ZINC000830802713 1372350929 /nfs/dbraw/zinc/35/09/29/1372350929.db2.gz AYQLAZCMDXQTJZ-IZZDOVSWSA-N -1 1 331.368 2.241 20 0 EEADMM O=S(=O)([N-][C@H]1CCO[C@@H](c2ccccc2)C1)c1c[nH]nc1Cl ZINC000831116066 1372364044 /nfs/dbraw/zinc/36/40/44/1372364044.db2.gz UYRCNRZXMAAXSV-NWDGAFQWSA-N -1 1 341.820 2.262 20 0 EEADMM CSc1ccccc1CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831135275 1372367145 /nfs/dbraw/zinc/36/71/45/1372367145.db2.gz VREDKKZYZAWTNZ-UHFFFAOYSA-N -1 1 346.374 2.088 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C(=O)OC(C)(C)C)C1 ZINC000836813944 1372749913 /nfs/dbraw/zinc/74/99/13/1372749913.db2.gz SXKJATDQDLGXOZ-UHFFFAOYSA-N -1 1 335.404 2.028 20 0 EEADMM O=C(COC(=O)[C@@H]1CCCCC1(F)F)[N-]C(=O)c1ccccc1 ZINC000837824731 1372805212 /nfs/dbraw/zinc/80/52/12/1372805212.db2.gz GHQJNSDVLRDYPO-LBPRGKRZSA-N -1 1 325.311 2.312 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)COc2cccc(F)c2)c(=O)[n-]1 ZINC001361957343 1373356621 /nfs/dbraw/zinc/35/66/21/1373356621.db2.gz KHXYXMSKDLBQMB-SECBINFHSA-N -1 1 337.376 2.241 20 0 EEADMM CN(C)C(=O)c1cccc(CCNC(=O)c2cccc([O-])c2F)c1 ZINC001362290510 1373388718 /nfs/dbraw/zinc/38/87/18/1373388718.db2.gz JYWYNBZMSITNKW-UHFFFAOYSA-N -1 1 330.359 2.206 20 0 EEADMM CCC(CC)(NC(=O)CCC[C@H](O)c1ccccc1)c1nn[n-]n1 ZINC001362499569 1373423654 /nfs/dbraw/zinc/42/36/54/1373423654.db2.gz XNVPDDZQJFMRQK-AWEZNQCLSA-N -1 1 331.420 2.235 20 0 EEADMM CCCC[C@H](NC(N)=O)C(=O)Nc1cccc([O-])c1Br ZINC001363016565 1373475752 /nfs/dbraw/zinc/47/57/52/1373475752.db2.gz ZVBSUPHMADXNKS-VIFPVBQESA-N -1 1 344.209 2.320 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)Nc1cccc(F)c1 ZINC001365034609 1373652311 /nfs/dbraw/zinc/65/23/11/1373652311.db2.gz WCVDXGWJJWYABF-UHFFFAOYSA-N -1 1 348.808 2.458 20 0 EEADMM CC1(C)C[C@](C)(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C(=O)O1 ZINC001365066924 1373662768 /nfs/dbraw/zinc/66/27/68/1373662768.db2.gz ABLKMSGZQBFWMC-KRWDZBQOSA-N -1 1 344.371 2.184 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ccco1)NC(=O)c1ncccc1[O-] ZINC001370062726 1374777889 /nfs/dbraw/zinc/77/78/89/1374777889.db2.gz PQDKKJNLRLACPF-LBPRGKRZSA-N -1 1 331.372 2.099 20 0 EEADMM CCCC1(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001372121693 1375785726 /nfs/dbraw/zinc/78/57/26/1375785726.db2.gz SEWQSUPIHHWOND-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CCC[C@@H](CC)C(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373046328 1376372412 /nfs/dbraw/zinc/37/24/12/1376372412.db2.gz GJMFDWRMWWMBAF-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM C=Cc1ccc(C(=O)N[C@H](CC)CNC(=O)c2ncccc2[O-])cc1 ZINC001375062128 1377330947 /nfs/dbraw/zinc/33/09/47/1377330947.db2.gz WLJMPFDNPZKLNK-OAHLLOKOSA-N -1 1 339.395 2.369 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001375694372 1377930751 /nfs/dbraw/zinc/93/07/51/1377930751.db2.gz IKRLNEJWOXLSLI-ZIAGYGMSSA-N -1 1 335.448 2.342 20 0 EEADMM CC(C)C[C@@H](CNC(=O)C[C@@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001375821774 1378029879 /nfs/dbraw/zinc/02/98/79/1378029879.db2.gz ISEQSJUPHMZSJA-HIFRSBDPSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC(=O)NC[C@H](CC(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001375834044 1378041978 /nfs/dbraw/zinc/04/19/78/1378041978.db2.gz GABQADKLXJMQOU-ZDUSSCGKSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001376385976 1378511079 /nfs/dbraw/zinc/51/10/79/1378511079.db2.gz QOSFCZKAAHZVIO-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)CCC(=O)N[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@H]1C ZINC001378432267 1379952927 /nfs/dbraw/zinc/95/29/27/1379952927.db2.gz ZETUYUDQMLUFJC-CXAGYDPISA-N -1 1 337.468 2.101 20 0 EEADMM CCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001381991214 1381902777 /nfs/dbraw/zinc/90/27/77/1381902777.db2.gz QUYLJTKTAOLCEU-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001383414379 1382474771 /nfs/dbraw/zinc/47/47/71/1382474771.db2.gz ZHBBZGVIRSXDGN-PNESKVBLSA-N -1 1 333.432 2.189 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C1CCCCC1 ZINC001383673505 1382631501 /nfs/dbraw/zinc/63/15/01/1382631501.db2.gz DHFJHRADYDRRDZ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001384466497 1384103857 /nfs/dbraw/zinc/10/38/57/1384103857.db2.gz CXURGACBVFBFTA-OKILXGFUSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001385307882 1385454196 /nfs/dbraw/zinc/45/41/96/1385454196.db2.gz UMAFSGBTLZBWFB-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CCC[C@H](CC)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001385319110 1385463429 /nfs/dbraw/zinc/46/34/29/1385463429.db2.gz SAPFFCRLCRGRAN-AWEZNQCLSA-N -1 1 333.432 2.288 20 0 EEADMM CCC(CC)CC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385367305 1385507127 /nfs/dbraw/zinc/50/71/27/1385507127.db2.gz NUHMWRRPDGNRKM-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)s1 ZINC001385708593 1385786786 /nfs/dbraw/zinc/78/67/86/1385786786.db2.gz YRTACYZHUXRCQF-LBPRGKRZSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1cccc([C@@H](C)C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001386788007 1386319750 /nfs/dbraw/zinc/31/97/50/1386319750.db2.gz WZGCHQJEDCCFSI-UONOGXRCSA-N -1 1 341.411 2.134 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001391910617 1389704912 /nfs/dbraw/zinc/70/49/12/1389704912.db2.gz BFXGQQZZHAFIBX-ZIAGYGMSSA-N -1 1 347.459 2.484 20 0 EEADMM CC[C@@H](C)CC(=O)N(CC)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001398080790 1391673870 /nfs/dbraw/zinc/67/38/70/1391673870.db2.gz COQNBDZIHPAMIA-GFCCVEGCSA-N -1 1 348.447 2.074 20 0 EEADMM CC1(C(=O)NCCC[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001753034153 1406617548 /nfs/dbraw/zinc/61/75/48/1406617548.db2.gz BFUMLIYWBDBLST-AWEZNQCLSA-N -1 1 349.479 2.342 20 0 EEADMM CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC001399759932 1395492077 /nfs/dbraw/zinc/49/20/77/1395492077.db2.gz VFDUQYJBUYRITL-ZIAGYGMSSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](CN(C)Cc1csc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001401749417 1397546925 /nfs/dbraw/zinc/54/69/25/1397546925.db2.gz YNXCRIPNLNAEPP-VIFPVBQESA-N -1 1 340.836 2.147 20 0 EEADMM CCCCC(=O)NCC1(NCc2nc(=O)c3sccc3[n-]2)CC1 ZINC001401920349 1397665900 /nfs/dbraw/zinc/66/59/00/1397665900.db2.gz NIRNIRQNKAJEPH-UHFFFAOYSA-N -1 1 334.445 2.326 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001424458595 1401119391 /nfs/dbraw/zinc/11/93/91/1401119391.db2.gz RDAVLBHUUQTYPD-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CN(C(=O)C(C)(C)C1CCCC1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001425488050 1401578736 /nfs/dbraw/zinc/57/87/36/1401578736.db2.gz MIJSRKBNIDLMJP-CQSZACIVSA-N -1 1 349.479 2.053 20 0 EEADMM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@H](C)CC1)NC(=O)c1ncccc1[O-] ZINC001431271497 1403016711 /nfs/dbraw/zinc/01/67/11/1403016711.db2.gz FOFVYEXFCPBDFG-RBSFLKMASA-N -1 1 347.459 2.484 20 0 EEADMM C[C@](CNC(=O)C1CC(C)(C)C1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432863877 1403308569 /nfs/dbraw/zinc/30/85/69/1403308569.db2.gz YTKWPIZVIHJOCK-LJQANCHMSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)c2cccc(F)c2O1 ZINC001576347104 1403566678 /nfs/dbraw/zinc/56/66/78/1403566678.db2.gz QRDWUQQUONZQGW-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)c2cccc(F)c2O1 ZINC001576347104 1403566681 /nfs/dbraw/zinc/56/66/81/1403566681.db2.gz QRDWUQQUONZQGW-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM CC[C@@]1(C)CCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001577110707 1403623999 /nfs/dbraw/zinc/62/39/99/1403623999.db2.gz QIUIDZVOXXKLJG-INIZCTEOSA-N -1 1 342.407 2.034 20 0 EEADMM CC[C@@]1(C)CCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001577110707 1403624002 /nfs/dbraw/zinc/62/40/02/1403624002.db2.gz QIUIDZVOXXKLJG-INIZCTEOSA-N -1 1 342.407 2.034 20 0 EEADMM COc1ccccc1OCCOC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591652182 1403935819 /nfs/dbraw/zinc/93/58/19/1403935819.db2.gz DCGLXFKCXMEFEP-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM COc1ccccc1OCCOC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591652182 1403935824 /nfs/dbraw/zinc/93/58/24/1403935824.db2.gz DCGLXFKCXMEFEP-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM Cc1cc(Nc2cc(-c3nnn[n-]3)ncn2)nn1C1CCCCC1 ZINC001592057321 1403991654 /nfs/dbraw/zinc/99/16/54/1403991654.db2.gz QVVIIJXUVQZTQX-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1cc(Nc2cc(-c3nn[n-]n3)ncn2)nn1C1CCCCC1 ZINC001592057321 1403991661 /nfs/dbraw/zinc/99/16/61/1403991661.db2.gz QVVIIJXUVQZTQX-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1nsc(NC(=O)COc2cc(C)ccc2C)c1-c1nnn[n-]1 ZINC001592140281 1404005586 /nfs/dbraw/zinc/00/55/86/1404005586.db2.gz MWXNCXBTIALWQM-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1nsc(NC(=O)COc2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC001592140281 1404005596 /nfs/dbraw/zinc/00/55/96/1404005596.db2.gz MWXNCXBTIALWQM-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1noc(C2CCC(Nc3cccnc3-c3nnn[n-]3)CC2)n1 ZINC001592460964 1404694495 /nfs/dbraw/zinc/69/44/95/1404694495.db2.gz OQLIBSJCCBYYOU-UHFFFAOYSA-N -1 1 326.364 2.091 20 0 EEADMM Cc1noc(C2CCC(Nc3cccnc3-c3nn[n-]n3)CC2)n1 ZINC001592460964 1404694510 /nfs/dbraw/zinc/69/45/10/1404694510.db2.gz OQLIBSJCCBYYOU-UHFFFAOYSA-N -1 1 326.364 2.091 20 0 EEADMM Cc1nsc(NCCc2cn(C)c3ncccc23)c1-c1nn[n-]n1 ZINC001592491534 1404701783 /nfs/dbraw/zinc/70/17/83/1404701783.db2.gz NIMAEUPCWAFNGF-UHFFFAOYSA-N -1 1 340.416 2.173 20 0 EEADMM Cc1nc(C(C)C)oc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001606033925 1404758655 /nfs/dbraw/zinc/75/86/55/1404758655.db2.gz HVGUGVFWXXVDGL-UHFFFAOYSA-N -1 1 330.348 2.118 20 0 EEADMM Cc1nc(C(C)C)oc1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001606033925 1404758662 /nfs/dbraw/zinc/75/86/62/1404758662.db2.gz HVGUGVFWXXVDGL-UHFFFAOYSA-N -1 1 330.348 2.118 20 0 EEADMM Cc1nsc(N2CC[C@@]3(CNc4ccccc43)C2)c1-c1nn[n-]n1 ZINC001606144986 1404767273 /nfs/dbraw/zinc/76/72/73/1404767273.db2.gz RCZGOFZUYCLXLU-MRXNPFEDSA-N -1 1 339.428 2.205 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H](C)[C@H]1C ZINC001606171249 1404772521 /nfs/dbraw/zinc/77/25/21/1404772521.db2.gz YSCPMOQXVACCHJ-NXEZZACHSA-N -1 1 326.360 2.039 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H](C)[C@H]1C ZINC001606171249 1404772525 /nfs/dbraw/zinc/77/25/25/1404772525.db2.gz YSCPMOQXVACCHJ-NXEZZACHSA-N -1 1 326.360 2.039 20 0 EEADMM Clc1ccc(NC[C@@H]2CCc3cccnc32)nc1-c1nnn[n-]1 ZINC001606193590 1404775921 /nfs/dbraw/zinc/77/59/21/1404775921.db2.gz ITDWAUWFLJUHSX-JTQLQIEISA-N -1 1 327.779 2.452 20 0 EEADMM Clc1ccc(NC[C@@H]2CCc3cccnc32)nc1-c1nn[n-]n1 ZINC001606193590 1404775926 /nfs/dbraw/zinc/77/59/26/1404775926.db2.gz ITDWAUWFLJUHSX-JTQLQIEISA-N -1 1 327.779 2.452 20 0 EEADMM Fc1cc2c(cc1F)CN(Cc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001606313551 1404788780 /nfs/dbraw/zinc/78/87/80/1404788780.db2.gz QUJMJQJCNUZWJV-UHFFFAOYSA-N -1 1 328.326 2.098 20 0 EEADMM CCCc1nc(C(=O)[N-]c2nonc2C)nn1-c1ccccc1F ZINC000172929674 1405743408 /nfs/dbraw/zinc/74/34/08/1405743408.db2.gz YODHFRHPIHZOIR-UHFFFAOYSA-N -1 1 330.323 2.303 20 0 EEADMM CC/C(C)=C\C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001756806414 1409352596 /nfs/dbraw/zinc/35/25/96/1409352596.db2.gz YUYWGORNMHAQGE-ZKHYDWRDSA-N -1 1 345.443 2.358 20 0 EEADMM C[C@@H](COc1ccccc1F)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001771702464 1409920806 /nfs/dbraw/zinc/92/08/06/1409920806.db2.gz PMKCBKNUUKDKMG-NSHDSACASA-N -1 1 343.362 2.070 20 0 EEADMM Cc1cc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)no1 ZINC000864331041 1410461209 /nfs/dbraw/zinc/46/12/09/1410461209.db2.gz ZWCCCOQTERCKJL-ZDUSSCGKSA-N -1 1 329.404 2.068 20 0 EEADMM Cc1nc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)oc1C ZINC000864330749 1410461465 /nfs/dbraw/zinc/46/14/65/1410461465.db2.gz IFOXBIRRYBCPGF-CQSZACIVSA-N -1 1 343.431 2.377 20 0 EEADMM CCCC(=O)NCC[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001075401209 758157242 /nfs/dbraw/zinc/15/72/42/758157242.db2.gz ZNAFONBKPAQKKS-NSHDSACASA-N -1 1 336.436 2.039 20 0 EEADMM CCC(CC)(CC)C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167542976 760258035 /nfs/dbraw/zinc/25/80/35/760258035.db2.gz MIHBQPIKZXEZFT-UHFFFAOYSA-N -1 1 337.468 2.103 20 0 EEADMM Cc1nsc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104933606 765599980 /nfs/dbraw/zinc/59/99/80/765599980.db2.gz FNCPZYKMNNWHNG-LLVKDONJSA-N -1 1 335.433 2.204 20 0 EEADMM Cc1cnc(C)nc1NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001104934896 765606025 /nfs/dbraw/zinc/60/60/25/765606025.db2.gz LUUIYWPVFSKZTB-AWEZNQCLSA-N -1 1 343.431 2.451 20 0 EEADMM C[C@@H]1C[C@H]1CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715592 769083901 /nfs/dbraw/zinc/08/39/01/769083901.db2.gz CQOJMFGHBKIKRR-APIJFGDWSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC001123896363 769829153 /nfs/dbraw/zinc/82/91/53/769829153.db2.gz NEZTYEGXMSENJH-LDYMZIIASA-N -1 1 331.397 2.421 20 0 EEADMM O=S(=O)([N-]C[C@H]1CSCCS1)c1ccc(Cl)nc1F ZINC000692846306 770261765 /nfs/dbraw/zinc/26/17/65/770261765.db2.gz GKBPNLXMLCFDAI-ZETCQYMHSA-N -1 1 342.870 2.001 20 0 EEADMM COc1ccc(C(=O)NCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920455807 770711674 /nfs/dbraw/zinc/71/16/74/770711674.db2.gz CAVYTTAKQQIYND-UHFFFAOYSA-N -1 1 348.786 2.214 20 0 EEADMM CCN(C(=O)c1ccc(C)o1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942653446 782947209 /nfs/dbraw/zinc/94/72/09/782947209.db2.gz FSXNOZKXIBRMIY-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1cnc([C@H](C)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027844417 773435659 /nfs/dbraw/zinc/43/56/59/773435659.db2.gz QRJSUGFIMOVNJQ-STQMWFEESA-N -1 1 330.388 2.039 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC000942757354 783143997 /nfs/dbraw/zinc/14/39/97/783143997.db2.gz ZMZMBVRZUBBVQQ-CQSZACIVSA-N -1 1 343.427 2.207 20 0 EEADMM CC(=O)N[N-]C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000028779871 790514816 /nfs/dbraw/zinc/51/48/16/790514816.db2.gz QDFLFGOCNLNSET-UHFFFAOYSA-N -1 1 328.397 2.235 20 0 EEADMM CC(C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000939961833 777772476 /nfs/dbraw/zinc/77/24/76/777772476.db2.gz 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O=C(CCCc1nn[n-]n1)NCC1(c2cccc(Cl)c2)CCC1 ZINC000825395989 788611646 /nfs/dbraw/zinc/61/16/46/788611646.db2.gz LHHRODYSOBURSK-UHFFFAOYSA-N -1 1 333.823 2.414 20 0 EEADMM CCCc1cc(C(=O)[N-]NC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000029651532 788861443 /nfs/dbraw/zinc/86/14/43/788861443.db2.gz CKFVZHMIJAHMEW-UHFFFAOYSA-N -1 1 330.432 2.340 20 0 EEADMM CCC[C@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1cccc(Cl)c1 ZINC000913499415 788949950 /nfs/dbraw/zinc/94/99/50/788949950.db2.gz PKMGLKVELCIZKZ-KBPBESRZSA-N -1 1 349.822 2.337 20 0 EEADMM O=C(CCC1CCC1)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062769698 789847954 /nfs/dbraw/zinc/84/79/54/789847954.db2.gz UHLSJMOMBIIUGM-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM O=C(c1ccco1)N1C[C@H]2CN(Cc3c(F)cc([O-])cc3F)C[C@@H]2C1 ZINC001144550613 789932467 /nfs/dbraw/zinc/93/24/67/789932467.db2.gz SJTWETKUUVTJHL-VXGBXAGGSA-N -1 1 348.349 2.467 20 0 EEADMM O=C(NC1CCN(Cc2c(F)cc([O-])cc2F)CC1)N1CCCC1 ZINC001144562101 789938237 /nfs/dbraw/zinc/93/82/37/789938237.db2.gz YNWWEALLWBZDEV-UHFFFAOYSA-N -1 1 339.386 2.440 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2cc(F)c([O-])cc2F)C1)c1cccnc1 ZINC001144664038 790019692 /nfs/dbraw/zinc/01/96/92/790019692.db2.gz SCGJBCYDAGYMAP-CQSZACIVSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(C=C1CCC1)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946384454 791457407 /nfs/dbraw/zinc/45/74/07/791457407.db2.gz REVSZYCPZKZWNT-LSDHHAIUSA-N -1 1 343.427 2.302 20 0 EEADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000172593002 791729999 /nfs/dbraw/zinc/72/99/99/791729999.db2.gz FKDDOZXPOHJGRX-UHFFFAOYSA-N -1 1 341.216 2.008 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879452 791874077 /nfs/dbraw/zinc/87/40/77/791874077.db2.gz BWTPYNBHHMJTTO-JQWIXIFHSA-N -1 1 347.444 2.300 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ccc(-c3ccncn3)cc2)c1[O-] ZINC001147839804 791997110 /nfs/dbraw/zinc/99/71/10/791997110.db2.gz DZACKTBYHVMUBD-UHFFFAOYSA-N -1 1 336.351 2.297 20 0 EEADMM Cc1cc(C)cc(OC[C@H](C)NC(=O)c2c(CO)cnc(C)c2[O-])c1 ZINC001147843291 792000605 /nfs/dbraw/zinc/00/06/05/792000605.db2.gz RULLQWAVKQFKAS-ZDUSSCGKSA-N -1 1 344.411 2.402 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNc1cc(F)ncn1 ZINC001063938275 792001109 /nfs/dbraw/zinc/00/11/09/792001109.db2.gz OBPCXRSJXNLYOE-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNc1ncc(F)cn1 ZINC001063939776 792005789 /nfs/dbraw/zinc/00/57/89/792005789.db2.gz ZIKZURSWRUFQPK-AAEUAGOBSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ncc(CO)c(C(=O)N[C@H](c2ccnc(F)c2)C2CC2)c1[O-] ZINC001147848991 792006181 /nfs/dbraw/zinc/00/61/81/792006181.db2.gz WOGPVCZGDBBCNV-HNNXBMFYSA-N -1 1 331.347 2.003 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3nc(C)nc4[nH]cnc43)cc2)[n-]1 ZINC001148329809 792342806 /nfs/dbraw/zinc/34/28/06/792342806.db2.gz XFRXRZMNLUYIAY-UHFFFAOYSA-N -1 1 349.354 2.026 20 0 EEADMM Cc1ncc(CN(C)C[C@@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC001089164389 793014714 /nfs/dbraw/zinc/01/47/14/793014714.db2.gz UXOBPFGJQGARGY-AWEZNQCLSA-N -1 1 344.415 2.210 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1cc(F)ncn1 ZINC001064396275 793029057 /nfs/dbraw/zinc/02/90/57/793029057.db2.gz XNXTUASQITZMGO-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM CCN(C(=O)CC1CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079242279 794482985 /nfs/dbraw/zinc/48/29/85/794482985.db2.gz GHADQTLNDWVEDH-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1nsc(NC2(CNC(=O)c3ncccc3[O-])CCCCC2)n1 ZINC001093387283 795133069 /nfs/dbraw/zinc/13/30/69/795133069.db2.gz WNZAONGZBABRQM-UHFFFAOYSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H](CCNc1ccnc(C(C)(C)C)n1)NC(=O)c1ncccc1[O-] ZINC001106296148 795359781 /nfs/dbraw/zinc/35/97/81/795359781.db2.gz IRAMUQVZNNCHRM-LBPRGKRZSA-N -1 1 343.431 2.495 20 0 EEADMM C[C@H](CCNc1ncnc2ccccc21)NC(=O)c1ncccc1[O-] ZINC001106296684 795360631 /nfs/dbraw/zinc/36/06/31/795360631.db2.gz XUYUIYGGBBJNOG-GFCCVEGCSA-N -1 1 337.383 2.351 20 0 EEADMM CCN(CCNc1cc(Cl)nc(C)n1)C(=O)c1ncccc1[O-] ZINC001106727232 796297171 /nfs/dbraw/zinc/29/71/71/796297171.db2.gz KEKNTKUFSDXHKM-UHFFFAOYSA-N -1 1 335.795 2.113 20 0 EEADMM CCc1nc(C)cc(NCCN(CC)C(=O)c2ncccc2[O-])n1 ZINC001106727452 796298062 /nfs/dbraw/zinc/29/80/62/796298062.db2.gz QIDGSQQFJSLOBR-UHFFFAOYSA-N -1 1 329.404 2.022 20 0 EEADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172015225 796844423 /nfs/dbraw/zinc/84/44/23/796844423.db2.gz NRNCNIVWGQMYFR-ZDUSSCGKSA-N -1 1 326.400 2.452 20 0 EEADMM CC(C)c1ccsc1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000993813556 797041576 /nfs/dbraw/zinc/04/15/76/797041576.db2.gz GCJZAOQUPCEWQX-UHFFFAOYSA-N -1 1 345.424 2.227 20 0 EEADMM O=C(N[C@H]1CCC[C@H](Nc2ncncc2Cl)C1)c1ncccc1[O-] ZINC001061076527 797959429 /nfs/dbraw/zinc/95/94/29/797959429.db2.gz QQZCSRVYILCIKQ-QWRGUYRKSA-N -1 1 347.806 2.384 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc3c(cnn3C)c2)no1 ZINC001212768110 798008921 /nfs/dbraw/zinc/00/89/21/798008921.db2.gz OFPNEUWIRXPDGC-UHFFFAOYSA-N -1 1 338.327 2.190 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)s1 ZINC000917649782 798308680 /nfs/dbraw/zinc/30/86/80/798308680.db2.gz PIWQXDRCYUPDON-ZCFIWIBFSA-N -1 1 344.241 2.007 20 0 EEADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001176465562 798464724 /nfs/dbraw/zinc/46/47/24/798464724.db2.gz BWXIOFIZFDEFRY-UHFFFAOYSA-N -1 1 333.413 2.162 20 0 EEADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cccc(Nc2nccs2)c1 ZINC001176724654 798538513 /nfs/dbraw/zinc/53/85/13/798538513.db2.gz GLNWHMAHWLSOHW-UHFFFAOYSA-N -1 1 341.400 2.209 20 0 EEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001177041339 798710601 /nfs/dbraw/zinc/71/06/01/798710601.db2.gz OMGAOBMYEMWLEI-UHFFFAOYSA-N -1 1 325.372 2.489 20 0 EEADMM O=C(Cc1cncc(Cl)n1)Nc1nc(Br)ccc1[O-] ZINC001177224711 798809379 /nfs/dbraw/zinc/80/93/79/798809379.db2.gz YWDCATMSBINHOF-UHFFFAOYSA-N -1 1 343.568 2.174 20 0 EEADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](CO)c1ccccc1 ZINC000922081147 798846739 /nfs/dbraw/zinc/84/67/39/798846739.db2.gz IUKFUZZTSNBVGW-OAHLLOKOSA-N -1 1 327.384 2.255 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1ncncc1Cl ZINC001065839618 799619059 /nfs/dbraw/zinc/61/90/59/799619059.db2.gz XCBPHYRHERVHOF-QWRGUYRKSA-N -1 1 347.806 2.051 20 0 EEADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCCC1CCCCC1 ZINC001180069699 800255552 /nfs/dbraw/zinc/25/55/52/800255552.db2.gz CRGRTHFXVAENCE-ZFWWWQNUSA-N -1 1 349.479 2.340 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@H](C)c3cccc(F)c3)C2)c1[O-] ZINC001033008660 800744878 /nfs/dbraw/zinc/74/48/78/800744878.db2.gz HNHBHVFKKUMKAO-IUODEOHRSA-N -1 1 346.406 2.470 20 0 EEADMM CN(C[C@@H]1CCN1C/C(Cl)=C\Cl)C(=O)c1ncccc1[O-] ZINC001085562235 800788521 /nfs/dbraw/zinc/78/85/21/800788521.db2.gz HBQGFNOVSWAAKX-HUYFXPKMSA-N -1 1 330.215 2.253 20 0 EEADMM Cc1cc2c(cc1C)[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CO2 ZINC000786964045 806949856 /nfs/dbraw/zinc/94/98/56/806949856.db2.gz USYLDQGKUQOAGX-LBPRGKRZSA-N -1 1 345.317 2.391 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066465399 802635755 /nfs/dbraw/zinc/63/57/55/802635755.db2.gz OXFARLXXOCIBAG-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004759414 802807136 /nfs/dbraw/zinc/80/71/36/802807136.db2.gz QIJOZQAMBRZVPK-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C(=O)N1CC[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001004765530 802840325 /nfs/dbraw/zinc/84/03/25/802840325.db2.gz FORBDNPQSQJANL-IUODEOHRSA-N -1 1 343.427 2.254 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000866989664 803685083 /nfs/dbraw/zinc/68/50/83/803685083.db2.gz HIXZRDFZWUVWOT-UHFFFAOYSA-N -1 1 343.474 2.053 20 0 EEADMM C[C@@H](CN(C)c1nc(C(C)(C)C)ns1)NC(=O)c1ncccc1[O-] ZINC001108933332 804702335 /nfs/dbraw/zinc/70/23/35/804702335.db2.gz MQNKMXRTYBBDIS-JTQLQIEISA-N -1 1 349.460 2.191 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(Cl)ccc2F)co1 ZINC000787755775 807206335 /nfs/dbraw/zinc/20/63/35/807206335.db2.gz COQASSOEDXTSOO-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM Cc1cnc([C@@H](C)NCCCC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001170187572 809804915 /nfs/dbraw/zinc/80/49/15/809804915.db2.gz BOSQULZAAUTKES-ZWNOBZJWSA-N -1 1 349.435 2.360 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc(O[C@@H]4CCCCO4)cc3)c2[nH]1 ZINC001170218239 809820400 /nfs/dbraw/zinc/82/04/00/809820400.db2.gz JAPRVWASVZOBAZ-LLVKDONJSA-N -1 1 343.343 2.365 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc(F)c(OC(F)F)c(F)c3)c2[nH]1 ZINC001170218561 809820496 /nfs/dbraw/zinc/82/04/96/809820496.db2.gz NJVFRYTUIFIUDF-UHFFFAOYSA-N -1 1 345.212 2.339 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(Cl)nc(-c3ccccn3)n2)[n-]1 ZINC001170222425 809840539 /nfs/dbraw/zinc/84/05/39/809840539.db2.gz DCNSLHPNNZOJMS-UHFFFAOYSA-N -1 1 340.734 2.308 20 0 EEADMM CC(C)(C)OC(=O)c1cccc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170226355 809844853 /nfs/dbraw/zinc/84/48/53/809844853.db2.gz IWZMGVNGFFKEFY-UHFFFAOYSA-N -1 1 328.332 2.152 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC[C@@H]2CCO[C@@H]2C)c(=O)[n-]1 ZINC000793451975 810340798 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EEADMM COC[C@](C)(NCc1cc(Br)cc(F)c1F)C(=O)[O-] ZINC001599154291 998344183 /nfs/dbraw/zinc/34/41/83/998344183.db2.gz VJJFQLVMRLQRDJ-LBPRGKRZSA-N -1 1 338.148 2.307 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN(C)CC1(CC(=O)[O-])CC1 ZINC001599579920 998511148 /nfs/dbraw/zinc/51/11/48/998511148.db2.gz SVXMAYNLMGFYQM-UHFFFAOYSA-N -1 1 340.807 2.474 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001594169058 998653063 /nfs/dbraw/zinc/65/30/63/998653063.db2.gz ZUZAXDMCVIYLQE-VXNVDRBHSA-N -1 1 341.289 2.449 20 0 EEADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(N2CCN(C)CC2)cn1 ZINC001594186564 998721186 /nfs/dbraw/zinc/72/11/86/998721186.db2.gz XFNQEBCNVATZLQ-IIAWOOMASA-N -1 1 332.448 2.135 20 0 EEADMM O=C(NCCN(Cc1ccncc1Cl)C1CC1)c1ncccc1[O-] ZINC001437781998 1090365676 /nfs/dbraw/zinc/36/56/76/1090365676.db2.gz RSDWKPRHTIRWNW-UHFFFAOYSA-N -1 1 346.818 2.230 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NCCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001438452970 1090960556 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O=C(CCCc1nn[n-]n1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001468127439 1110469468 /nfs/dbraw/zinc/46/94/68/1110469468.db2.gz BYKIBCRZRYLMRR-CQSZACIVSA-N -1 1 339.403 2.153 20 0 EEADMM COc1ccc(N2C[C@H](NC(=O)c3cccc([O-])c3F)CC2=O)cc1 ZINC001469967835 1110499317 /nfs/dbraw/zinc/49/93/17/1110499317.db2.gz FZUMXQHXMNKBEU-LLVKDONJSA-N -1 1 344.342 2.075 20 0 EEADMM CC(C)(C)Cc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001472498113 1110557780 /nfs/dbraw/zinc/55/77/80/1110557780.db2.gz IXMQPHWKEBLIGX-UHFFFAOYSA-N -1 1 336.417 2.049 20 0 EEADMM CC(C)(C)Cc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001472498113 1110557781 /nfs/dbraw/zinc/55/77/81/1110557781.db2.gz IXMQPHWKEBLIGX-UHFFFAOYSA-N -1 1 336.417 2.049 20 0 EEADMM CSc1cccc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)n1 ZINC001476560600 1110630738 /nfs/dbraw/zinc/63/07/38/1110630738.db2.gz ANQBQDWQXAFCJX-UHFFFAOYSA-N -1 1 337.430 2.343 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC1CC1 ZINC001511195306 1117995654 /nfs/dbraw/zinc/99/56/54/1117995654.db2.gz 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ZINC000754023116 577798790 /nfs/dbraw/zinc/79/87/90/577798790.db2.gz GADKVVJMITZGIN-AWEZNQCLSA-N -1 1 338.385 2.137 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2Cl)cs1 ZINC000743046191 577879781 /nfs/dbraw/zinc/87/97/81/577879781.db2.gz FACCOQDOOQRNMH-UHFFFAOYSA-N -1 1 332.790 2.384 20 0 EEADMM CC1N=NC(=S)N1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000743501915 577886466 /nfs/dbraw/zinc/88/64/66/577886466.db2.gz RGRUDPVZVCLJCO-UHFFFAOYSA-N -1 1 328.397 2.164 20 0 EEADMM CCC1N=NC(=S)N1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000743666249 577888812 /nfs/dbraw/zinc/88/88/12/577888812.db2.gz MZWUHSIKXAMMPO-UHFFFAOYSA-N -1 1 342.424 2.418 20 0 EEADMM CCOc1ccc(OC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1 ZINC000746106327 577922341 /nfs/dbraw/zinc/92/23/41/577922341.db2.gz ZEJZKALKZQCOKI-UHFFFAOYSA-N -1 1 341.323 2.362 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC[C@@H]1CCCC1=O ZINC000748186162 577956929 /nfs/dbraw/zinc/95/69/29/577956929.db2.gz ZXROHQCWHYSKCV-ZDUSSCGKSA-N -1 1 345.399 2.287 20 0 EEADMM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000739539849 578057363 /nfs/dbraw/zinc/05/73/63/578057363.db2.gz WUCOBNTUTUAVNZ-CABCVRRESA-N -1 1 336.819 2.141 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000740161373 578083451 /nfs/dbraw/zinc/08/34/51/578083451.db2.gz PBTRJRKTUCUOJK-WBVHZDCISA-N -1 1 345.399 2.075 20 0 EEADMM COC(=O)C[C@@H]1CCCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735298758 578143158 /nfs/dbraw/zinc/14/31/58/578143158.db2.gz ZUGGBBHKWOSNJH-LBPRGKRZSA-N -1 1 347.444 2.378 20 0 EEADMM CC(C)(NCC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736339061 578196877 /nfs/dbraw/zinc/19/68/77/578196877.db2.gz JMWMAUGZULLAMZ-UHFFFAOYSA-N -1 1 332.322 2.121 20 0 EEADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736554968 578211080 /nfs/dbraw/zinc/21/10/80/578211080.db2.gz HOUGCJRKSIRJDR-UHFFFAOYSA-N -1 1 344.325 2.202 20 0 EEADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736554968 578211081 /nfs/dbraw/zinc/21/10/81/578211081.db2.gz HOUGCJRKSIRJDR-UHFFFAOYSA-N -1 1 344.325 2.202 20 0 EEADMM C[C@H](CN(C)Cc1nc2sc3c(c2c(N)n1)CCCC3)C(=O)[O-] ZINC000736576793 578212630 /nfs/dbraw/zinc/21/26/30/578212630.db2.gz KSMUJHPRSMUFOX-SECBINFHSA-N -1 1 334.445 2.305 20 0 EEADMM CCOc1cc(NC(=O)N2CCC(c3nn[n-]n3)CC2)ccc1OC ZINC000736624524 578215378 /nfs/dbraw/zinc/21/53/78/578215378.db2.gz AXNNDTJDAUJJPP-UHFFFAOYSA-N -1 1 346.391 2.019 20 0 EEADMM CC1CCC2(CC(=O)N(CN3CCCC[C@H]3CC(=O)[O-])C2=O)CC1 ZINC000736772488 578222791 /nfs/dbraw/zinc/22/27/91/578222791.db2.gz FAOYMCWKGPPYKT-FVRSWCFKSA-N -1 1 336.432 2.229 20 0 EEADMM CCCO[C@@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737028783 578233822 /nfs/dbraw/zinc/23/38/22/578233822.db2.gz ZAUVRQRMRDYUAA-OAHLLOKOSA-N -1 1 340.464 2.171 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1F ZINC000822211799 607255311 /nfs/dbraw/zinc/25/53/11/607255311.db2.gz OXGXQWYHZDREBP-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM c1ccc(SC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000823791271 599088952 /nfs/dbraw/zinc/08/89/52/599088952.db2.gz AHUYNGGRTSLLQS-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000823791271 599088955 /nfs/dbraw/zinc/08/89/55/599088955.db2.gz AHUYNGGRTSLLQS-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000819380947 597045233 /nfs/dbraw/zinc/04/52/33/597045233.db2.gz VWHUQPLTJDMLSQ-HOTGVXAUSA-N -1 1 332.400 2.194 20 0 EEADMM O=C([O-])c1ccc(CN[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000819676082 597209292 /nfs/dbraw/zinc/20/92/92/597209292.db2.gz NDUACPUHCSRVFX-HNNXBMFYSA-N -1 1 328.343 2.419 20 0 EEADMM Cc1[nH]c(SCC(=O)N(C)[C@H](C)C(=O)[O-])nc1Cc1ccccc1 ZINC000818758809 597462594 /nfs/dbraw/zinc/46/25/94/597462594.db2.gz KIHBEZPKTYVKKN-GFCCVEGCSA-N -1 1 347.440 2.333 20 0 EEADMM COC(=O)N(C)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821663584 607309589 /nfs/dbraw/zinc/30/95/89/607309589.db2.gz FGWRJWHYSJKMSC-UHFFFAOYSA-N -1 1 328.332 2.274 20 0 EEADMM COC(=O)N(C)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821663584 607309590 /nfs/dbraw/zinc/30/95/90/607309590.db2.gz FGWRJWHYSJKMSC-UHFFFAOYSA-N -1 1 328.332 2.274 20 0 EEADMM C[S@@](=O)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821943206 607318925 /nfs/dbraw/zinc/31/89/25/607318925.db2.gz ULZGVRNYWFIFPF-JOCHJYFZSA-N -1 1 337.405 2.417 20 0 EEADMM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2n1 ZINC000822201198 599623912 /nfs/dbraw/zinc/62/39/12/599623912.db2.gz VYGVAZZOSGKBHY-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2n1 ZINC000822201198 599623913 /nfs/dbraw/zinc/62/39/13/599623913.db2.gz VYGVAZZOSGKBHY-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000822154043 599690160 /nfs/dbraw/zinc/69/01/60/599690160.db2.gz UEHOIEMPOKASSG-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000238095701 600499544 /nfs/dbraw/zinc/49/95/44/600499544.db2.gz KCWLDFFOTHEYMP-NSHDSACASA-N -1 1 349.412 2.234 20 0 EEADMM CCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000829585443 600686909 /nfs/dbraw/zinc/68/69/09/600686909.db2.gz XAUPPXJSVUMKMC-UHFFFAOYSA-N -1 1 345.327 2.070 20 0 EEADMM CC(C)[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)N1CCN(C)CC1 ZINC000826688316 600810450 /nfs/dbraw/zinc/81/04/50/600810450.db2.gz XVFMLJHIPBFTQT-JTQLQIEISA-N -1 1 346.884 2.179 20 0 EEADMM O=C([O-])CCSCc1cccc(NC(=O)CCc2nc[nH]n2)c1 ZINC000833239169 601137740 /nfs/dbraw/zinc/13/77/40/601137740.db2.gz DMXAGZAZUHXQBL-UHFFFAOYSA-N -1 1 334.401 2.084 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000824995323 607514004 /nfs/dbraw/zinc/51/40/04/607514004.db2.gz YSRZKUIXEMRCDZ-IAQYHMDHSA-N -1 1 342.428 2.285 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000833091579 601715196 /nfs/dbraw/zinc/71/51/96/601715196.db2.gz AGIDKHCFMKFQGZ-QAPCUYQASA-N -1 1 334.391 2.066 20 0 EEADMM C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCSC[C@H]1CC(=O)[O-] ZINC000825978085 601926322 /nfs/dbraw/zinc/92/63/22/601926322.db2.gz XACASTRPEPSTOA-AAVRWANBSA-N -1 1 328.478 2.057 20 0 EEADMM CC[C@](NC(=O)[C@@H]1CCCc2[nH]ncc21)(C(=O)[O-])c1ccccc1 ZINC000828921629 602029949 /nfs/dbraw/zinc/02/99/49/602029949.db2.gz QBQWIDYYOXRFIX-FZKQIMNGSA-N -1 1 327.384 2.336 20 0 EEADMM COc1cc(C(C)=O)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826177272 607540647 /nfs/dbraw/zinc/54/06/47/607540647.db2.gz AWBGDPPAOFBEJV-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM COc1cc(C(C)=O)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826177272 607540649 /nfs/dbraw/zinc/54/06/49/607540649.db2.gz AWBGDPPAOFBEJV-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1nc[nH]n1 ZINC000833104235 602089403 /nfs/dbraw/zinc/08/94/03/602089403.db2.gz FWOQLPGONGFRFT-UHFFFAOYSA-N -1 1 331.353 2.394 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)Cc1ccccc1 ZINC000824656258 607564248 /nfs/dbraw/zinc/56/42/48/607564248.db2.gz JVSTXQUERUBZTP-ZWNOBZJWSA-N -1 1 344.806 2.319 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)Cc1ccccc1 ZINC000824656258 607564250 /nfs/dbraw/zinc/56/42/50/607564250.db2.gz JVSTXQUERUBZTP-ZWNOBZJWSA-N -1 1 344.806 2.319 20 0 EEADMM COCc1cccc(COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826164523 607603236 /nfs/dbraw/zinc/60/32/36/607603236.db2.gz DYBMZIACPARTCP-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COC[C@@](C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(=O)[O-] ZINC000833721842 604731084 /nfs/dbraw/zinc/73/10/84/604731084.db2.gz UJJCFATVHOISLG-MRXNPFEDSA-N -1 1 337.759 2.418 20 0 EEADMM C[C@H](CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1)C(=O)[O-] ZINC000827449906 604738957 /nfs/dbraw/zinc/73/89/57/604738957.db2.gz QJCKTDHCMXWCBT-CQSZACIVSA-N -1 1 345.443 2.410 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c[nH]1 ZINC000833306005 604801212 /nfs/dbraw/zinc/80/12/12/604801212.db2.gz GJJKVWWNDDSHPL-UHFFFAOYSA-N -1 1 349.340 2.223 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000833421127 604931795 /nfs/dbraw/zinc/93/17/95/604931795.db2.gz IEJNRHMXMHNDAE-HNNXBMFYSA-N -1 1 334.416 2.057 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCC1CCCC1 ZINC000833624083 605044625 /nfs/dbraw/zinc/04/46/25/605044625.db2.gz IWQUJLQQVZLKIA-CQSZACIVSA-N -1 1 325.453 2.147 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccccc1Cl ZINC000833621246 605107881 /nfs/dbraw/zinc/10/78/81/605107881.db2.gz MXMQVEFZJVGDFY-KTRBRXNASA-N -1 1 336.819 2.361 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1F ZINC000833627280 605109873 /nfs/dbraw/zinc/10/98/73/605109873.db2.gz WDCJVJQHZVYPME-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000833618297 605114672 /nfs/dbraw/zinc/11/46/72/605114672.db2.gz AFEOXAILPRCVMT-WXJAXGNASA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(C(=O)[O-])no1 ZINC000833615682 605874918 /nfs/dbraw/zinc/87/49/18/605874918.db2.gz IGNSLKHFNMRYFA-CYBMUJFWSA-N -1 1 343.383 2.109 20 0 EEADMM C[C@H](CCC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820243277 606166437 /nfs/dbraw/zinc/16/64/37/606166437.db2.gz ZORDBMGFHNNBJY-LLVKDONJSA-N -1 1 346.439 2.471 20 0 EEADMM C[C@H](CCC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820243277 606166439 /nfs/dbraw/zinc/16/64/39/606166439.db2.gz ZORDBMGFHNNBJY-LLVKDONJSA-N -1 1 346.439 2.471 20 0 EEADMM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(-c3nn[n-]n3)s1)N2 ZINC000822274558 606394066 /nfs/dbraw/zinc/39/40/66/606394066.db2.gz BAXLGHRZVBXBBY-CQSZACIVSA-N -1 1 326.385 2.433 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000822191139 606450188 /nfs/dbraw/zinc/45/01/88/606450188.db2.gz GFDVDHDLCIOETH-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000822191139 606450190 /nfs/dbraw/zinc/45/01/90/606450190.db2.gz GFDVDHDLCIOETH-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(-c2nn[nH]n2)cs1 ZINC000823383399 606486433 /nfs/dbraw/zinc/48/64/33/606486433.db2.gz QVCFDOXXENLOSW-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000823483795 606498061 /nfs/dbraw/zinc/49/80/61/606498061.db2.gz NMYSAULZNFFWHP-ZETCQYMHSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000823483795 606498063 /nfs/dbraw/zinc/49/80/63/606498063.db2.gz NMYSAULZNFFWHP-ZETCQYMHSA-N -1 1 331.323 2.343 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704970 606525720 /nfs/dbraw/zinc/52/57/20/606525720.db2.gz QWNTYIOWPTYAOW-MNOVXSKESA-N -1 1 335.433 2.253 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704970 606525722 /nfs/dbraw/zinc/52/57/22/606525722.db2.gz QWNTYIOWPTYAOW-MNOVXSKESA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H]1CCc2sc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc2C1 ZINC000820736352 606531907 /nfs/dbraw/zinc/53/19/07/606531907.db2.gz YVAQQWASMRORIN-ZETCQYMHSA-N -1 1 329.389 2.028 20 0 EEADMM C[C@H]1CCc2sc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc2C1 ZINC000820736352 606531909 /nfs/dbraw/zinc/53/19/09/606531909.db2.gz YVAQQWASMRORIN-ZETCQYMHSA-N -1 1 329.389 2.028 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccccc1 ZINC000820270053 606561276 /nfs/dbraw/zinc/56/12/76/606561276.db2.gz UAFQDFDGDJURDZ-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccccc1 ZINC000820270053 606561278 /nfs/dbraw/zinc/56/12/78/606561278.db2.gz UAFQDFDGDJURDZ-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM COc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000821712999 606571939 /nfs/dbraw/zinc/57/19/39/606571939.db2.gz PRZBCLUZUFZJPH-UHFFFAOYSA-N -1 1 343.412 2.218 20 0 EEADMM COc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000821712999 606571941 /nfs/dbraw/zinc/57/19/41/606571941.db2.gz PRZBCLUZUFZJPH-UHFFFAOYSA-N -1 1 343.412 2.218 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2n1 ZINC000822209491 606590259 /nfs/dbraw/zinc/59/02/59/606590259.db2.gz LFSDFZQISUDWER-UHFFFAOYSA-N -1 1 336.380 2.459 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2n1 ZINC000822209491 606590260 /nfs/dbraw/zinc/59/02/60/606590260.db2.gz LFSDFZQISUDWER-UHFFFAOYSA-N -1 1 336.380 2.459 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)sc1-c1nnn[n-]1 ZINC000823766569 606620843 /nfs/dbraw/zinc/62/08/43/606620843.db2.gz FHDCVPRCQCGQLH-UHFFFAOYSA-N -1 1 340.324 2.374 20 0 EEADMM c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)sc1-c1nn[n-]n1 ZINC000823766569 606620845 /nfs/dbraw/zinc/62/08/45/606620845.db2.gz FHDCVPRCQCGQLH-UHFFFAOYSA-N -1 1 340.324 2.374 20 0 EEADMM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820554869 606816428 /nfs/dbraw/zinc/81/64/28/606816428.db2.gz ANKKXGQKVPCASI-SECBINFHSA-N -1 1 342.384 2.087 20 0 EEADMM CN(CCC(=O)OC(C)(C)C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821599471 606950109 /nfs/dbraw/zinc/95/01/09/606950109.db2.gz WHLNRCBZJIPOQP-UHFFFAOYSA-N -1 1 338.799 2.083 20 0 EEADMM CN(CCC(=O)OC(C)(C)C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821599471 606950111 /nfs/dbraw/zinc/95/01/11/606950111.db2.gz WHLNRCBZJIPOQP-UHFFFAOYSA-N -1 1 338.799 2.083 20 0 EEADMM O=C(CCCOc1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822959148 607106524 /nfs/dbraw/zinc/10/65/24/607106524.db2.gz UDICZBWHDADPIZ-UHFFFAOYSA-N -1 1 330.373 2.121 20 0 EEADMM O=C(CCCOc1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822959148 607106526 /nfs/dbraw/zinc/10/65/26/607106526.db2.gz UDICZBWHDADPIZ-UHFFFAOYSA-N -1 1 330.373 2.121 20 0 EEADMM O=C([N-]CCCSc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000823196497 607225303 /nfs/dbraw/zinc/22/53/03/607225303.db2.gz HCCFCHBPPYXCMD-UHFFFAOYSA-N -1 1 331.323 2.027 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(C(C)C)C1 ZINC000826340590 607808991 /nfs/dbraw/zinc/80/89/91/607808991.db2.gz DITGBARNIHDTAJ-UHFFFAOYSA-N -1 1 340.387 2.287 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(C(C)C)C1 ZINC000826340590 607808992 /nfs/dbraw/zinc/80/89/92/607808992.db2.gz DITGBARNIHDTAJ-UHFFFAOYSA-N -1 1 340.387 2.287 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824939961 607866015 /nfs/dbraw/zinc/86/60/15/607866015.db2.gz YLKNPBQFQHSTFJ-JQWIXIFHSA-N -1 1 333.367 2.080 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824939961 607866016 /nfs/dbraw/zinc/86/60/16/607866016.db2.gz YLKNPBQFQHSTFJ-JQWIXIFHSA-N -1 1 333.367 2.080 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942528 608005457 /nfs/dbraw/zinc/00/54/57/608005457.db2.gz FHOHHJUCMOWLOZ-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942528 608005458 /nfs/dbraw/zinc/00/54/58/608005458.db2.gz FHOHHJUCMOWLOZ-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CC(F)F)CC1CCC1 ZINC000826472168 608073167 /nfs/dbraw/zinc/07/31/67/608073167.db2.gz AEWWHSVPUTXJGE-UHFFFAOYSA-N -1 1 327.360 2.436 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CC(F)F)CC1CCC1 ZINC000826472168 608073168 /nfs/dbraw/zinc/07/31/68/608073168.db2.gz AEWWHSVPUTXJGE-UHFFFAOYSA-N -1 1 327.360 2.436 20 0 EEADMM CC(C)(C)OC(=O)CCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824100254 608146658 /nfs/dbraw/zinc/14/66/58/608146658.db2.gz ORXISGDYWFFZFC-UHFFFAOYSA-N -1 1 338.389 2.207 20 0 EEADMM CC(C)(C)OC(=O)CCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824100254 608146659 /nfs/dbraw/zinc/14/66/59/608146659.db2.gz ORXISGDYWFFZFC-UHFFFAOYSA-N -1 1 338.389 2.207 20 0 EEADMM Clc1nsc(NCCn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826353852 608181033 /nfs/dbraw/zinc/18/10/33/608181033.db2.gz GRXVFUOLVYWSRR-UHFFFAOYSA-N -1 1 346.807 2.438 20 0 EEADMM Clc1nsc(NCCn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826353852 608181035 /nfs/dbraw/zinc/18/10/35/608181035.db2.gz GRXVFUOLVYWSRR-UHFFFAOYSA-N -1 1 346.807 2.438 20 0 EEADMM Clc1nsc(NC[C@@H]2COC3(CCCC3)O2)c1-c1nnn[n-]1 ZINC000826353894 608294716 /nfs/dbraw/zinc/29/47/16/608294716.db2.gz IFUDDHGQCXXDJY-SSDOTTSWSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nsc(NC[C@@H]2COC3(CCCC3)O2)c1-c1nn[n-]n1 ZINC000826353894 608294719 /nfs/dbraw/zinc/29/47/19/608294719.db2.gz IFUDDHGQCXXDJY-SSDOTTSWSA-N -1 1 342.812 2.074 20 0 EEADMM FC(F)(F)c1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826368340 608390718 /nfs/dbraw/zinc/39/07/18/608390718.db2.gz LZGCPEHKQOXXEQ-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826368340 608390719 /nfs/dbraw/zinc/39/07/19/608390719.db2.gz LZGCPEHKQOXXEQ-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM COc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cc1 ZINC000826189608 608392144 /nfs/dbraw/zinc/39/21/44/608392144.db2.gz ZPMHEQRQUUKPHV-OAHLLOKOSA-N -1 1 325.376 2.475 20 0 EEADMM COc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cc1 ZINC000826189608 608392147 /nfs/dbraw/zinc/39/21/47/608392147.db2.gz ZPMHEQRQUUKPHV-OAHLLOKOSA-N -1 1 325.376 2.475 20 0 EEADMM CCc1ccnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000825728546 608545436 /nfs/dbraw/zinc/54/54/36/608545436.db2.gz PDYHRNGKOQXPMN-UHFFFAOYSA-N -1 1 340.391 2.028 20 0 EEADMM CCc1ccnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000825728546 608545438 /nfs/dbraw/zinc/54/54/38/608545438.db2.gz PDYHRNGKOQXPMN-UHFFFAOYSA-N -1 1 340.391 2.028 20 0 EEADMM CCOc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)cc1 ZINC000825621754 608887915 /nfs/dbraw/zinc/88/79/15/608887915.db2.gz ZBJTVGISHZOLMV-UHFFFAOYSA-N -1 1 337.343 2.165 20 0 EEADMM CCOc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)cc1 ZINC000825621754 608887917 /nfs/dbraw/zinc/88/79/17/608887917.db2.gz ZBJTVGISHZOLMV-UHFFFAOYSA-N -1 1 337.343 2.165 20 0 EEADMM CN(C[C@@H]1CCCC[C@H]1O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825908316 609325469 /nfs/dbraw/zinc/32/54/69/609325469.db2.gz GOYBZHXVHSAJSB-YVEFUNNKSA-N -1 1 338.415 2.402 20 0 EEADMM CN(C[C@@H]1CCCC[C@H]1O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825908316 609325471 /nfs/dbraw/zinc/32/54/71/609325471.db2.gz GOYBZHXVHSAJSB-YVEFUNNKSA-N -1 1 338.415 2.402 20 0 EEADMM CC[C@H](C)n1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000825081143 609351021 /nfs/dbraw/zinc/35/10/21/609351021.db2.gz GREHYJWEJAIMJI-JTQLQIEISA-N -1 1 341.375 2.095 20 0 EEADMM CC[C@H](C)n1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000825081143 609351023 /nfs/dbraw/zinc/35/10/23/609351023.db2.gz GREHYJWEJAIMJI-JTQLQIEISA-N -1 1 341.375 2.095 20 0 EEADMM COc1ccccc1CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826219961 609621915 /nfs/dbraw/zinc/62/19/15/609621915.db2.gz XJULFGUDJYULKU-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM COc1ccccc1CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826219961 609621916 /nfs/dbraw/zinc/62/19/16/609621916.db2.gz XJULFGUDJYULKU-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C/C=C/c3ccccc3)C2)c1[O-] ZINC000969505762 675080771 /nfs/dbraw/zinc/08/07/71/675080771.db2.gz FIGLEFJSBCFPAY-PPGNKHEKSA-N -1 1 340.427 2.187 20 0 EEADMM Cc1c(Br)cccc1NC(=O)Cc1sc(N)nc1[O-] ZINC000079937121 675451275 /nfs/dbraw/zinc/45/12/75/675451275.db2.gz NHUMVUTXHYTQQU-SECBINFHSA-N -1 1 342.218 2.043 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1ccccc1COC ZINC000084316543 675501797 /nfs/dbraw/zinc/50/17/97/675501797.db2.gz ZLNZCNKRXFOEIV-UHFFFAOYSA-N -1 1 335.433 2.471 20 0 EEADMM O=C(Nc1ccc(OCCCO)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000804757908 675620092 /nfs/dbraw/zinc/62/00/92/675620092.db2.gz KKZOYWJXVFWTJP-UHFFFAOYSA-N -1 1 344.396 2.032 20 0 EEADMM O=C([N-]OCc1cccnc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000160815049 676465324 /nfs/dbraw/zinc/46/53/24/676465324.db2.gz XQDPGSMNHDFXKW-ZDUSSCGKSA-N -1 1 345.786 2.336 20 0 EEADMM Cn1c(=S)[n-]nc1[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000069703686 676522884 /nfs/dbraw/zinc/52/28/84/676522884.db2.gz RLLOKESJVYEIKQ-LLVKDONJSA-N -1 1 344.444 2.165 20 0 EEADMM O=C(CCC1CCC1)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000971716055 676755098 /nfs/dbraw/zinc/75/50/98/676755098.db2.gz QMZJDVYZYGXROY-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM CCCNC(=O)CCCOC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000840550255 678833554 /nfs/dbraw/zinc/83/35/54/678833554.db2.gz QOPSODCTVPXVND-UHFFFAOYSA-N -1 1 345.399 2.350 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(F)=C(C)C ZINC000984801860 685272085 /nfs/dbraw/zinc/27/20/85/685272085.db2.gz ZISAXJQJODHTIF-NWDGAFQWSA-N -1 1 335.379 2.160 20 0 EEADMM Cc1csc(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000937321998 681267907 /nfs/dbraw/zinc/26/79/07/681267907.db2.gz NUYUVLMLTCJUHX-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000982949721 681561684 /nfs/dbraw/zinc/56/16/84/681561684.db2.gz DMLOSORTMKRCCY-STQMWFEESA-N -1 1 333.432 2.048 20 0 EEADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nc(C3CC3)no2)c1 ZINC000077615261 681567156 /nfs/dbraw/zinc/56/71/56/681567156.db2.gz YJHYXYJHFLXVNQ-UHFFFAOYSA-N -1 1 341.776 2.256 20 0 EEADMM O=C(CC1=CCCCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982542889 681612071 /nfs/dbraw/zinc/61/20/71/681612071.db2.gz BCBUCHRCTAEWBC-OAHLLOKOSA-N -1 1 343.427 2.256 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2cccs2)C1)c1ncccc1[O-] ZINC001059074319 681618924 /nfs/dbraw/zinc/61/89/24/681618924.db2.gz HHKBOJFOEYWSAH-GFCCVEGCSA-N -1 1 345.424 2.131 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC000937250170 681975184 /nfs/dbraw/zinc/97/51/84/681975184.db2.gz VNLVDCHDNVECIU-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866880121 682058367 /nfs/dbraw/zinc/05/83/67/682058367.db2.gz KJMYJJTWLKARES-VIFPVBQESA-N -1 1 327.233 2.074 20 0 EEADMM Cc1nc(CN2CCC[C@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)co1 ZINC001025398428 682673112 /nfs/dbraw/zinc/67/31/12/682673112.db2.gz USSSCICJVVFHBV-JSGCOSHPSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1cnc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)o1 ZINC001025396254 682673605 /nfs/dbraw/zinc/67/36/05/682673605.db2.gz GKAULDDZEUMLIT-KGLIPLIRSA-N -1 1 344.415 2.114 20 0 EEADMM O=C([N-]OCc1ccccn1)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000909544481 685585983 /nfs/dbraw/zinc/58/59/83/685585983.db2.gz NLPXKAXJXQMZTJ-HNNXBMFYSA-N -1 1 349.394 2.151 20 0 EEADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-])C1CC1 ZINC000973600407 682812800 /nfs/dbraw/zinc/81/28/00/682812800.db2.gz SBPGVIGLQLZJFT-PRTUASRFSA-N -1 1 343.427 2.085 20 0 EEADMM CCCC(=O)N1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@H]1C ZINC001012185630 682890422 /nfs/dbraw/zinc/89/04/22/682890422.db2.gz IMAYMXBNIKUTEO-YPMHNXCESA-N -1 1 348.447 2.133 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059201653 683205068 /nfs/dbraw/zinc/20/50/68/683205068.db2.gz IIZWNYFSDPVTIR-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000909454958 684057242 /nfs/dbraw/zinc/05/72/42/684057242.db2.gz PGQRGAUYJUUFIN-BZNIZROVSA-N -1 1 339.395 2.359 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000985040646 685707125 /nfs/dbraw/zinc/70/71/25/685707125.db2.gz ITOCLOXNGOQBPM-AEGPPILISA-N -1 1 345.443 2.333 20 0 EEADMM O=C([O-])[C@]12CN(C(=O)c3cc(C4CCCCC4)[nH]n3)C[C@H]1COCC2 ZINC000909565421 685819655 /nfs/dbraw/zinc/81/96/55/685819655.db2.gz QNGPYBVNZBQZLR-SCLBCKFNSA-N -1 1 347.415 2.021 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000896964337 686015131 /nfs/dbraw/zinc/01/51/31/686015131.db2.gz BEGLDFNITVHJGJ-HZPDHXFCSA-N -1 1 340.379 2.134 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2(C)CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000985182815 686046962 /nfs/dbraw/zinc/04/69/62/686046962.db2.gz LNKAVRLXCZKMCQ-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(CC1CCCC1)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514997 686274430 /nfs/dbraw/zinc/27/44/30/686274430.db2.gz OSWSOQRRXFKFKM-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM CC/C=C(\C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515279 686279616 /nfs/dbraw/zinc/27/96/16/686279616.db2.gz WJCQEYGRNXNMKM-BRRGFWCPSA-N -1 1 331.416 2.112 20 0 EEADMM Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897281513 686518908 /nfs/dbraw/zinc/51/89/08/686518908.db2.gz NTOPVOZEPGZIJC-OAHLLOKOSA-N -1 1 338.367 2.357 20 0 EEADMM CC1(O)CCC([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866924380 686713116 /nfs/dbraw/zinc/71/31/16/686713116.db2.gz SUJRNTDZJBKZDS-UHFFFAOYSA-N -1 1 339.244 2.360 20 0 EEADMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866928610 686818056 /nfs/dbraw/zinc/81/80/56/686818056.db2.gz NQHANWYXPOSGNL-NEPJUHHUSA-N -1 1 342.552 2.393 20 0 EEADMM Cc1ccccc1C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936459393 687395403 /nfs/dbraw/zinc/39/54/03/687395403.db2.gz MGUZUNUTRSPSQP-CQSZACIVSA-N -1 1 339.395 2.082 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1F ZINC000909357257 687663025 /nfs/dbraw/zinc/66/30/25/687663025.db2.gz BMGJNFJZUARIFN-OAHLLOKOSA-N -1 1 331.347 2.373 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985810722 687744172 /nfs/dbraw/zinc/74/41/72/687744172.db2.gz ICMCLBDXEUKQRL-ZIAGYGMSSA-N -1 1 349.479 2.150 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1CCC2)c1ncccc1[O-] ZINC000976570284 687848477 /nfs/dbraw/zinc/84/84/77/687848477.db2.gz ZCGDNAGILIVGFP-QGDIXAPHSA-N -1 1 343.427 2.135 20 0 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/nfs/dbraw/zinc/39/44/18/1342394418.db2.gz UUKZCZOJVFJEFX-GFCCVEGCSA-N -1 1 340.383 2.098 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001557766533 1342455905 /nfs/dbraw/zinc/45/59/05/1342455905.db2.gz ZUYOTUSIIVSLQL-KRWDZBQOSA-N -1 1 349.390 2.433 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1oc2ccc(F)cc2c1C ZINC001565764895 1342561401 /nfs/dbraw/zinc/56/14/01/1342561401.db2.gz BRTYQPOBMXGXTK-UHFFFAOYSA-N -1 1 347.302 2.020 20 0 EEADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574340729 1343673976 /nfs/dbraw/zinc/67/39/76/1343673976.db2.gz WGMLJOBYYZCXLH-UHFFFAOYSA-N -1 1 347.766 2.283 20 0 EEADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574340729 1343673981 /nfs/dbraw/zinc/67/39/81/1343673981.db2.gz WGMLJOBYYZCXLH-UHFFFAOYSA-N -1 1 347.766 2.283 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001577301163 1344124835 /nfs/dbraw/zinc/12/48/35/1344124835.db2.gz PSLUPIBBOJFOIN-SECBINFHSA-N -1 1 329.451 2.033 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001577301163 1344124838 /nfs/dbraw/zinc/12/48/38/1344124838.db2.gz PSLUPIBBOJFOIN-SECBINFHSA-N -1 1 329.451 2.033 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001578192579 1344249664 /nfs/dbraw/zinc/24/96/64/1344249664.db2.gz UAJFQIHWKHPNTR-UHFFFAOYSA-N -1 1 349.441 2.285 20 0 EEADMM CO[C@@H](CNc1ncncc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001579594444 1344398376 /nfs/dbraw/zinc/39/83/76/1344398376.db2.gz LNGXKTYGQSASGA-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001579997040 1344446399 /nfs/dbraw/zinc/44/63/99/1344446399.db2.gz DXCWJNAQNYJLHX-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001579997040 1344446400 /nfs/dbraw/zinc/44/64/00/1344446400.db2.gz DXCWJNAQNYJLHX-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1SC ZINC001580044104 1344457242 /nfs/dbraw/zinc/45/72/42/1344457242.db2.gz VBIAQRBJMVVQEJ-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1SC ZINC001580044104 1344457250 /nfs/dbraw/zinc/45/72/50/1344457250.db2.gz VBIAQRBJMVVQEJ-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM CSc1ccccc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001580236791 1344496567 /nfs/dbraw/zinc/49/65/67/1344496567.db2.gz YMBMSSLRWAVNSU-UHFFFAOYSA-N -1 1 342.384 2.250 20 0 EEADMM Cc1nc([C@@](C)(NCc2ccc(-c3nn[n-]n3)s2)C2CC2)no1 ZINC001581436433 1344625544 /nfs/dbraw/zinc/62/55/44/1344625544.db2.gz CWJISQJSPGLCHO-AWEZNQCLSA-N -1 1 331.405 2.035 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)C2=CCCC2)c1-c1nn[n-]n1 ZINC001581714424 1344657465 /nfs/dbraw/zinc/65/74/65/1344657465.db2.gz OQRBZIBIEKQKHF-VIFPVBQESA-N -1 1 347.448 2.049 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)CCCC2CC2)c1-c1nn[n-]n1 ZINC001581716563 1344658145 /nfs/dbraw/zinc/65/81/45/1344658145.db2.gz SEEWOTICDYZXIH-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM O=C(Nc1cncc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582650350 1344777771 /nfs/dbraw/zinc/77/77/71/1344777771.db2.gz PNRUOCGICLPZPM-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM COC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000091729004 1357275100 /nfs/dbraw/zinc/27/51/00/1357275100.db2.gz SAYGWLHXJYAHNI-ONGXEEELSA-N -1 1 342.189 2.226 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC001587816482 1348873028 /nfs/dbraw/zinc/87/30/28/1348873028.db2.gz ZGFJLTRBAUKIJF-UHFFFAOYSA-N -1 1 340.343 2.006 20 0 EEADMM Brc1csc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001588325325 1348886424 /nfs/dbraw/zinc/88/64/24/1348886424.db2.gz WGJWMJGCKYZSEM-UHFFFAOYSA-N -1 1 337.206 2.120 20 0 EEADMM Brc1csc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001588325325 1348886430 /nfs/dbraw/zinc/88/64/30/1348886430.db2.gz WGJWMJGCKYZSEM-UHFFFAOYSA-N -1 1 337.206 2.120 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC001589000316 1348952327 /nfs/dbraw/zinc/95/23/27/1348952327.db2.gz YAXJBCXLQWFRRF-MRVPVSSYSA-N -1 1 348.819 2.397 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC001589000316 1348952331 /nfs/dbraw/zinc/95/23/31/1348952331.db2.gz YAXJBCXLQWFRRF-MRVPVSSYSA-N -1 1 348.819 2.397 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001589193153 1348967581 /nfs/dbraw/zinc/96/75/81/1348967581.db2.gz JGJFBOPFEACHJV-MNOVXSKESA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001589193153 1348967584 /nfs/dbraw/zinc/96/75/84/1348967584.db2.gz JGJFBOPFEACHJV-MNOVXSKESA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589198781 1348969661 /nfs/dbraw/zinc/96/96/61/1348969661.db2.gz OKGLSTIZNHMWSK-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589198781 1348969664 /nfs/dbraw/zinc/96/96/64/1348969664.db2.gz OKGLSTIZNHMWSK-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)c1csc(CNCc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589235726 1348973217 /nfs/dbraw/zinc/97/32/17/1348973217.db2.gz KZYWSDBMXGWWSG-UHFFFAOYSA-N -1 1 329.433 2.306 20 0 EEADMM CC(C)[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1nc(C2CC2)no1 ZINC001589474963 1348992872 /nfs/dbraw/zinc/99/28/72/1348992872.db2.gz IEDGNABVDJFJLO-LLVKDONJSA-N -1 1 346.420 2.071 20 0 EEADMM CC(C)[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1nc(C2CC2)no1 ZINC001589474963 1348992876 /nfs/dbraw/zinc/99/28/76/1348992876.db2.gz IEDGNABVDJFJLO-LLVKDONJSA-N -1 1 346.420 2.071 20 0 EEADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589504239 1348998446 /nfs/dbraw/zinc/99/84/46/1348998446.db2.gz UWFYMJMLSIFXIM-ZIAGYGMSSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589504239 1348998449 /nfs/dbraw/zinc/99/84/49/1348998449.db2.gz UWFYMJMLSIFXIM-ZIAGYGMSSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)O[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589735827 1349025085 /nfs/dbraw/zinc/02/50/85/1349025085.db2.gz IBFLEFSUOKLMAW-LBPRGKRZSA-N -1 1 344.400 2.428 20 0 EEADMM CC(C)O[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589735827 1349025090 /nfs/dbraw/zinc/02/50/90/1349025090.db2.gz IBFLEFSUOKLMAW-LBPRGKRZSA-N -1 1 344.400 2.428 20 0 EEADMM CC(C)Oc1cncc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001589759392 1349031591 /nfs/dbraw/zinc/03/15/91/1349031591.db2.gz JLAQZDPTEFJEPY-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1Cl ZINC001589767982 1349033773 /nfs/dbraw/zinc/03/37/73/1349033773.db2.gz CEKMVMHNIUNIOO-UHFFFAOYSA-N -1 1 331.767 2.111 20 0 EEADMM CC(C)c1csc([S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001589774204 1349036592 /nfs/dbraw/zinc/03/65/92/1349036592.db2.gz ZBRIKXHUBNKPIC-QFIPXVFZSA-N -1 1 334.430 2.149 20 0 EEADMM CC(C)c1csc([S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001589774204 1349036596 /nfs/dbraw/zinc/03/65/96/1349036596.db2.gz ZBRIKXHUBNKPIC-QFIPXVFZSA-N -1 1 334.430 2.149 20 0 EEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589898968 1349056531 /nfs/dbraw/zinc/05/65/31/1349056531.db2.gz BEFOEWILCBGIHH-QMMMGPOBSA-N -1 1 331.767 2.061 20 0 EEADMM C[C@@H](Cn1cc(Br)cc(-c2nn[n-]n2)c1=O)C(C)(C)C ZINC001589905199 1349059357 /nfs/dbraw/zinc/05/93/57/1349059357.db2.gz VPMUVRCGAPDHTG-QMMMGPOBSA-N -1 1 340.225 2.473 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(-n2ccnc2)cc1 ZINC001589944540 1349072253 /nfs/dbraw/zinc/07/22/53/1349072253.db2.gz NBYKQISMTZALHJ-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(-n2ccnc2)cc1 ZINC001589944540 1349072255 /nfs/dbraw/zinc/07/22/55/1349072255.db2.gz NBYKQISMTZALHJ-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1OCCc2sccc21 ZINC001589983645 1349092072 /nfs/dbraw/zinc/09/20/72/1349092072.db2.gz GORJVKPBHZWHMW-YMTOWFKASA-N -1 1 328.401 2.438 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1OCCc2sccc21 ZINC001589983645 1349092077 /nfs/dbraw/zinc/09/20/77/1349092077.db2.gz GORJVKPBHZWHMW-YMTOWFKASA-N -1 1 328.401 2.438 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1nc(C(F)(F)F)cs1 ZINC001589987163 1349093976 /nfs/dbraw/zinc/09/39/76/1349093976.db2.gz HBYHMFOCLXFMOT-YFKPBYRVSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1nc(C(F)(F)F)cs1 ZINC001589987163 1349093980 /nfs/dbraw/zinc/09/39/80/1349093980.db2.gz HBYHMFOCLXFMOT-YFKPBYRVSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC001589992668 1349097380 /nfs/dbraw/zinc/09/73/80/1349097380.db2.gz YXQMCGZTDJZPGB-ZETCQYMHSA-N -1 1 341.766 2.360 20 0 EEADMM C[C@]1(F)CCCN(c2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001590142109 1349174216 /nfs/dbraw/zinc/17/42/16/1349174216.db2.gz UABGEEQCOUBZJW-LBPRGKRZSA-N -1 1 341.188 2.353 20 0 EEADMM C[C@]1(F)CCCN(c2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001590142109 1349174224 /nfs/dbraw/zinc/17/42/24/1349174224.db2.gz UABGEEQCOUBZJW-LBPRGKRZSA-N -1 1 341.188 2.353 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001590166094 1349181806 /nfs/dbraw/zinc/18/18/06/1349181806.db2.gz TZIOVIAILZFPCW-UVBJJODRSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001590166094 1349181810 /nfs/dbraw/zinc/18/18/10/1349181810.db2.gz TZIOVIAILZFPCW-UVBJJODRSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590191286 1349193430 /nfs/dbraw/zinc/19/34/30/1349193430.db2.gz HKGVHAATJOXJOL-HWPZZCPQSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590191286 1349193438 /nfs/dbraw/zinc/19/34/38/1349193438.db2.gz HKGVHAATJOXJOL-HWPZZCPQSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590191292 1349193459 /nfs/dbraw/zinc/19/34/59/1349193459.db2.gz HKGVHAATJOXJOL-QLJPJBMISA-N -1 1 349.460 2.235 20 0 EEADMM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590191292 1349193465 /nfs/dbraw/zinc/19/34/65/1349193465.db2.gz HKGVHAATJOXJOL-QLJPJBMISA-N -1 1 349.460 2.235 20 0 EEADMM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccccc2)CO1 ZINC001590310490 1349258668 /nfs/dbraw/zinc/25/86/68/1349258668.db2.gz VWUWYVGAWZIRCS-SUMWQHHRSA-N -1 1 336.399 2.224 20 0 EEADMM C[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC2(CCC2)O1 ZINC001590316658 1349261820 /nfs/dbraw/zinc/26/18/20/1349261820.db2.gz PLLQALGXJMQAKM-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC2(CCC2)O1 ZINC001590316658 1349261824 /nfs/dbraw/zinc/26/18/24/1349261824.db2.gz PLLQALGXJMQAKM-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM CCC(=O)N1CCc2ccc(NCc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001590362041 1349284649 /nfs/dbraw/zinc/28/46/49/1349284649.db2.gz JMPUWKUYSOHWAP-UHFFFAOYSA-N -1 1 349.398 2.173 20 0 EEADMM CCC(=O)N1CCc2ccc(NCc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001590362041 1349284651 /nfs/dbraw/zinc/28/46/51/1349284651.db2.gz JMPUWKUYSOHWAP-UHFFFAOYSA-N -1 1 349.398 2.173 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590483630 1349351066 /nfs/dbraw/zinc/35/10/66/1349351066.db2.gz PLXPZNDQNUAJSX-CYBMUJFWSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590483630 1349351067 /nfs/dbraw/zinc/35/10/67/1349351067.db2.gz PLXPZNDQNUAJSX-CYBMUJFWSA-N -1 1 325.376 2.253 20 0 EEADMM CCCC(O)(CCC)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590559457 1349370708 /nfs/dbraw/zinc/37/07/08/1349370708.db2.gz PTCLNROKYHAKFT-UHFFFAOYSA-N -1 1 335.383 2.067 20 0 EEADMM CCCC(O)(CCC)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590559457 1349370709 /nfs/dbraw/zinc/37/07/09/1349370709.db2.gz PTCLNROKYHAKFT-UHFFFAOYSA-N -1 1 335.383 2.067 20 0 EEADMM CCCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590572859 1349372195 /nfs/dbraw/zinc/37/21/95/1349372195.db2.gz UYDHTROOCCSKPJ-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM CCCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590572859 1349372198 /nfs/dbraw/zinc/37/21/98/1349372198.db2.gz UYDHTROOCCSKPJ-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM CCCc1cc(=O)[n-]c(SCc2ccc(-c3nn[nH]n3)cn2)n1 ZINC001590657698 1349383814 /nfs/dbraw/zinc/38/38/14/1349383814.db2.gz VGECBIHXLOVGEZ-UHFFFAOYSA-N -1 1 329.389 2.002 20 0 EEADMM CCO[C@@H](c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001590785652 1349398667 /nfs/dbraw/zinc/39/86/67/1349398667.db2.gz RSCSQZPJPABCGW-CQSZACIVSA-N -1 1 349.354 2.438 20 0 EEADMM CCO[C@@H](c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001590785652 1349398675 /nfs/dbraw/zinc/39/86/75/1349398675.db2.gz RSCSQZPJPABCGW-CQSZACIVSA-N -1 1 349.354 2.438 20 0 EEADMM CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590869723 1349407344 /nfs/dbraw/zinc/40/73/44/1349407344.db2.gz WCNSWXBTIISYFE-MGCOHNPYSA-N -1 1 341.462 2.175 20 0 EEADMM CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590869723 1349407349 /nfs/dbraw/zinc/40/73/49/1349407349.db2.gz WCNSWXBTIISYFE-MGCOHNPYSA-N -1 1 341.462 2.175 20 0 EEADMM CCc1nc(NCCc2ccc3ncccc3c2)cc(-c2nnn[n-]2)n1 ZINC001590922807 1349411643 /nfs/dbraw/zinc/41/16/43/1349411643.db2.gz ZRNJTWLTEIGVAB-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CCc1nc(NCCc2ccc3ncccc3c2)cc(-c2nn[n-]n2)n1 ZINC001590922807 1349411653 /nfs/dbraw/zinc/41/16/53/1349411653.db2.gz ZRNJTWLTEIGVAB-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CN1CC(C)(C)N(C(=O)c2coc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001591167956 1349444115 /nfs/dbraw/zinc/44/41/15/1349444115.db2.gz BZJQSWHRPYEYRH-UHFFFAOYSA-N -1 1 338.371 2.335 20 0 EEADMM CN1CC(C)(C)N(C(=O)c2coc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001591167956 1349444126 /nfs/dbraw/zinc/44/41/26/1349444126.db2.gz BZJQSWHRPYEYRH-UHFFFAOYSA-N -1 1 338.371 2.335 20 0 EEADMM COC(=O)C(C)(C)CSc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591226504 1349451191 /nfs/dbraw/zinc/45/11/91/1349451191.db2.gz GGUMGNFDEHCYPU-UHFFFAOYSA-N -1 1 333.826 2.268 20 0 EEADMM COc1ccccc1CN(OC)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591653382 1349525876 /nfs/dbraw/zinc/52/58/76/1349525876.db2.gz MAEOQXBWHKSHRN-UHFFFAOYSA-N -1 1 345.384 2.141 20 0 EEADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cnc1Cl ZINC001591969944 1349571943 /nfs/dbraw/zinc/57/19/43/1349571943.db2.gz XZHFZHZJQWSWBI-UHFFFAOYSA-N -1 1 330.783 2.436 20 0 EEADMM Cc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cnc1Cl ZINC001591969944 1349571952 /nfs/dbraw/zinc/57/19/52/1349571952.db2.gz XZHFZHZJQWSWBI-UHFFFAOYSA-N -1 1 330.783 2.436 20 0 EEADMM Cc1ccc(-c2nc(CCNc3cnc(-c4nnn[n-]4)cn3)co2)cc1 ZINC001592073543 1349588864 /nfs/dbraw/zinc/58/88/64/1349588864.db2.gz FIMVTAYVFDDOCT-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(-c2nc(CCNc3cnc(-c4nn[n-]n4)cn3)co2)cc1 ZINC001592073543 1349588867 /nfs/dbraw/zinc/58/88/67/1349588867.db2.gz FIMVTAYVFDDOCT-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001592110679 1349592261 /nfs/dbraw/zinc/59/22/61/1349592261.db2.gz SEJUOHNXMRKVJP-KGLIPLIRSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@H]1CCC(F)(F)C1 ZINC001592202989 1349606367 /nfs/dbraw/zinc/60/63/67/1349606367.db2.gz RLZZKADGMXPAQU-JTQLQIEISA-N -1 1 346.341 2.320 20 0 EEADMM Cc1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001592204517 1349608792 /nfs/dbraw/zinc/60/87/92/1349608792.db2.gz ZLYOLEYJGABSBV-UHFFFAOYSA-N -1 1 333.399 2.405 20 0 EEADMM Cc1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001592204517 1349608795 /nfs/dbraw/zinc/60/87/95/1349608795.db2.gz ZLYOLEYJGABSBV-UHFFFAOYSA-N -1 1 333.399 2.405 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1c1cncc(C)c1 ZINC001592299065 1349617859 /nfs/dbraw/zinc/61/78/59/1349617859.db2.gz PNVFDDZTDCYDGF-CQSZACIVSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1c1cncc(C)c1 ZINC001592299065 1349617862 /nfs/dbraw/zinc/61/78/62/1349617862.db2.gz PNVFDDZTDCYDGF-CQSZACIVSA-N -1 1 338.371 2.449 20 0 EEADMM Clc1sc(NCCCc2nccs2)nc1-c1nn[n-]n1 ZINC001592542401 1349654331 /nfs/dbraw/zinc/65/43/31/1349654331.db2.gz CFAKRYPOLCKQDP-UHFFFAOYSA-N -1 1 327.826 2.478 20 0 EEADMM Cc1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383343 1349626371 /nfs/dbraw/zinc/62/63/71/1349626371.db2.gz XWMSTNJVQGPNGU-DZGCQCFKSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383343 1349626374 /nfs/dbraw/zinc/62/63/74/1349626374.db2.gz XWMSTNJVQGPNGU-DZGCQCFKSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(NCc2c(F)c(F)cc(F)c2F)cc(-c2nnn[n-]2)n1 ZINC001592392622 1349626995 /nfs/dbraw/zinc/62/69/95/1349626995.db2.gz RLRQOTSMKDWEQG-UHFFFAOYSA-N -1 1 339.256 2.134 20 0 EEADMM Cc1nc(NCc2c(F)c(F)cc(F)c2F)cc(-c2nn[n-]n2)n1 ZINC001592392622 1349626996 /nfs/dbraw/zinc/62/69/96/1349626996.db2.gz RLRQOTSMKDWEQG-UHFFFAOYSA-N -1 1 339.256 2.134 20 0 EEADMM Cc1nc(N[C@@H]2C[C@H]2c2c(F)cccc2F)cc(-c2nnn[n-]2)n1 ZINC001592393738 1349627015 /nfs/dbraw/zinc/62/70/15/1349627015.db2.gz ASLLXBXGMSNUPE-LDYMZIIASA-N -1 1 329.314 2.211 20 0 EEADMM Cc1nc(N[C@@H]2C[C@H]2c2c(F)cccc2F)cc(-c2nn[n-]n2)n1 ZINC001592393738 1349627016 /nfs/dbraw/zinc/62/70/16/1349627016.db2.gz ASLLXBXGMSNUPE-LDYMZIIASA-N -1 1 329.314 2.211 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@H](C)OCC(F)(F)F)no1 ZINC001592494866 1349637184 /nfs/dbraw/zinc/63/71/84/1349637184.db2.gz FUUIKYICINRXJM-LURJTMIESA-N -1 1 344.253 2.458 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@H](C)OCC(F)(F)F)no1 ZINC001592494866 1349637185 /nfs/dbraw/zinc/63/71/85/1349637185.db2.gz FUUIKYICINRXJM-LURJTMIESA-N -1 1 344.253 2.458 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(C)(C)OCC(C)(C)F ZINC001592502045 1349638032 /nfs/dbraw/zinc/63/80/32/1349638032.db2.gz PDHPAJUXWNPYLH-UHFFFAOYSA-N -1 1 340.355 2.468 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(C)(C)OCC(C)(C)F ZINC001592502045 1349638033 /nfs/dbraw/zinc/63/80/33/1349638033.db2.gz PDHPAJUXWNPYLH-UHFFFAOYSA-N -1 1 340.355 2.468 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC001592502033 1349638270 /nfs/dbraw/zinc/63/82/70/1349638270.db2.gz WACUWOYINYFBGU-UHFFFAOYSA-N -1 1 341.375 2.010 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccn(C2CCCC2)n1 ZINC001592502033 1349638273 /nfs/dbraw/zinc/63/82/73/1349638273.db2.gz WACUWOYINYFBGU-UHFFFAOYSA-N -1 1 341.375 2.010 20 0 EEADMM Clc1cc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)ccn1 ZINC001592525945 1349648003 /nfs/dbraw/zinc/64/80/03/1349648003.db2.gz IRYHUYQSAFOOEW-UHFFFAOYSA-N -1 1 338.762 2.222 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001592613629 1349670320 /nfs/dbraw/zinc/67/03/20/1349670320.db2.gz IBYUKIBVEWMJMM-WCBMZHEXSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001592613629 1349670323 /nfs/dbraw/zinc/67/03/23/1349670323.db2.gz IBYUKIBVEWMJMM-WCBMZHEXSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592616288 1349674138 /nfs/dbraw/zinc/67/41/38/1349674138.db2.gz OFZIKEWPOVYHNV-UHFFFAOYSA-N -1 1 334.305 2.401 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592616288 1349674143 /nfs/dbraw/zinc/67/41/43/1349674143.db2.gz OFZIKEWPOVYHNV-UHFFFAOYSA-N -1 1 334.305 2.401 20 0 EEADMM Fc1ccc2c(c1)OCCN(Cc1csc(-c3nn[n-]n3)c1)C2 ZINC001592654328 1349698497 /nfs/dbraw/zinc/69/84/97/1349698497.db2.gz HGKHYCWBWKSPIL-UHFFFAOYSA-N -1 1 331.376 2.462 20 0 EEADMM Fc1cccc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)c1 ZINC001592654766 1349700294 /nfs/dbraw/zinc/70/02/94/1349700294.db2.gz MAVJCSPBICGVTJ-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)c1 ZINC001592654766 1349700297 /nfs/dbraw/zinc/70/02/97/1349700297.db2.gz MAVJCSPBICGVTJ-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM O=C(CNC(=O)c1csc(-c2nn[n-]n2)c1)CC1CCCCC1 ZINC001592873383 1349721164 /nfs/dbraw/zinc/72/11/64/1349721164.db2.gz HNMDHZMQAAAIJH-UHFFFAOYSA-N -1 1 333.417 2.198 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593136760 1349739413 /nfs/dbraw/zinc/73/94/13/1349739413.db2.gz MNASMRQHZZFUDX-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593136760 1349739417 /nfs/dbraw/zinc/73/94/17/1349739417.db2.gz MNASMRQHZZFUDX-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccnc1C(F)F ZINC001593202817 1349746152 /nfs/dbraw/zinc/74/61/52/1349746152.db2.gz BDVKIIDKFOFNPQ-UHFFFAOYSA-N -1 1 332.270 2.157 20 0 EEADMM O=C(Nc1ccccc1)C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001593251010 1349750969 /nfs/dbraw/zinc/75/09/69/1349750969.db2.gz OWBJYOAZNJQDHU-UHFFFAOYSA-N -1 1 349.398 2.117 20 0 EEADMM O=C(Nc1ccccc1)C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001593251010 1349750974 /nfs/dbraw/zinc/75/09/74/1349750974.db2.gz OWBJYOAZNJQDHU-UHFFFAOYSA-N -1 1 349.398 2.117 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@]12C[C@@H]1CCCC2 ZINC001593263863 1349754816 /nfs/dbraw/zinc/75/48/16/1349754816.db2.gz GZMIULVUVQUEOD-QTTZVWFDSA-N -1 1 339.812 2.431 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@]2(CCSC2)C1 ZINC001593350648 1349787962 /nfs/dbraw/zinc/78/79/62/1349787962.db2.gz RPFDRGRFPCHZOQ-INIZCTEOSA-N -1 1 347.419 2.365 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@]2(CCSC2)C1 ZINC001593350648 1349787965 /nfs/dbraw/zinc/78/79/65/1349787965.db2.gz RPFDRGRFPCHZOQ-INIZCTEOSA-N -1 1 347.419 2.365 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCSC2(CCCCC2)C1 ZINC001593358202 1349789671 /nfs/dbraw/zinc/78/96/71/1349789671.db2.gz DUBNMFPSUKMUAF-UHFFFAOYSA-N -1 1 344.444 2.154 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC001593358202 1349789672 /nfs/dbraw/zinc/78/96/72/1349789672.db2.gz DUBNMFPSUKMUAF-UHFFFAOYSA-N -1 1 344.444 2.154 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC2(CC2)Oc2ccccc21 ZINC001593371065 1349792816 /nfs/dbraw/zinc/79/28/16/1349792816.db2.gz MAYJYMBXFAPMIW-UHFFFAOYSA-N -1 1 339.380 2.500 20 0 EEADMM O=C1[C@@H](SCc2ccc(-c3nnn[n-]3)o2)CCN1c1ccccc1 ZINC001593382718 1349794700 /nfs/dbraw/zinc/79/47/00/1349794700.db2.gz QNAMJLTVBFCCQW-AWEZNQCLSA-N -1 1 341.396 2.498 20 0 EEADMM O=C1[C@@H](SCc2ccc(-c3nn[n-]n3)o2)CCN1c1ccccc1 ZINC001593382718 1349794709 /nfs/dbraw/zinc/79/47/09/1349794709.db2.gz QNAMJLTVBFCCQW-AWEZNQCLSA-N -1 1 341.396 2.498 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1csc(C2CCCC2)n1 ZINC001593493350 1349818056 /nfs/dbraw/zinc/81/80/56/1349818056.db2.gz GDSVQOUCLDFZQH-UHFFFAOYSA-N -1 1 328.401 2.191 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCOc1cccc2ccccc21 ZINC001593496265 1349819665 /nfs/dbraw/zinc/81/96/65/1349819665.db2.gz FPQOGLXAALBBRG-UHFFFAOYSA-N -1 1 333.351 2.261 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc3c(o2)CCCC3)c2ccccc21 ZINC001593494842 1349819993 /nfs/dbraw/zinc/81/99/93/1349819993.db2.gz TZEMOWFTRHEFIN-UHFFFAOYSA-N -1 1 348.366 2.097 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001593519378 1349829346 /nfs/dbraw/zinc/82/93/46/1349829346.db2.gz LZBAFZNWUOQYCC-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001593519378 1349829350 /nfs/dbraw/zinc/82/93/50/1349829350.db2.gz LZBAFZNWUOQYCC-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM OCC[C@H]1CCCCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593528916 1349831801 /nfs/dbraw/zinc/83/18/01/1349831801.db2.gz BLFSFGKEOWFRTO-MRVPVSSYSA-N -1 1 328.829 2.108 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)c2cccnc2)cc1 ZINC001593571186 1349855997 /nfs/dbraw/zinc/85/59/97/1349855997.db2.gz RCKBRUXXRSFFLO-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)c2cccnc2)cc1 ZINC001593571186 1349856002 /nfs/dbraw/zinc/85/60/02/1349856002.db2.gz RCKBRUXXRSFFLO-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@H]3CCC[C@@H]23)cc1 ZINC001593573344 1349856856 /nfs/dbraw/zinc/85/68/56/1349856856.db2.gz PIMPSKGEOULJNX-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@H]3CCC[C@@H]23)cc1 ZINC001593573344 1349856860 /nfs/dbraw/zinc/85/68/60/1349856860.db2.gz PIMPSKGEOULJNX-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CNc1nc(C2CCOCC2)ns1 ZINC001593595920 1349870617 /nfs/dbraw/zinc/87/06/17/1349870617.db2.gz GAMJVDZAELGKPC-UHFFFAOYSA-N -1 1 349.445 2.286 20 0 EEADMM Cc1cc(-n2ccnc2)ccc1CN(C)[C@H](COC(C)C)C(=O)[O-] ZINC001600064187 1349963885 /nfs/dbraw/zinc/96/38/85/1349963885.db2.gz VESVGXNHCJCDHX-QGZVFWFLSA-N -1 1 331.416 2.491 20 0 EEADMM Cc1cc([C@@H](NCc2cc(=O)n3ccccc3n2)C(=O)[O-])ccc1F ZINC001600146438 1349980130 /nfs/dbraw/zinc/98/01/30/1349980130.db2.gz HIJLGXQDHBXUER-QGZVFWFLSA-N -1 1 341.342 2.058 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])n[nH]1 ZINC001600189559 1349988799 /nfs/dbraw/zinc/98/87/99/1349988799.db2.gz RYBGOFBNUYAHGY-SNVBAGLBSA-N -1 1 340.383 2.188 20 0 EEADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)ncn1 ZINC001600204576 1349992374 /nfs/dbraw/zinc/99/23/74/1349992374.db2.gz JIABFQRHGFSCHK-CYBMUJFWSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1cc(CNc2ccccc2N2CCN(C)CC2)[nH]c1C(=O)[O-] ZINC001600210420 1349993891 /nfs/dbraw/zinc/99/38/91/1349993891.db2.gz FIOKOAPEQYCBCP-UHFFFAOYSA-N -1 1 328.416 2.385 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)Nc3c(C(=O)[O-])cnn3C)[nH]n2)o1 ZINC001600313687 1350018293 /nfs/dbraw/zinc/01/82/93/1350018293.db2.gz JMYCMVYOGKSMPN-UHFFFAOYSA-N -1 1 330.304 2.054 20 0 EEADMM Cc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)c1 ZINC001600405117 1350041735 /nfs/dbraw/zinc/04/17/35/1350041735.db2.gz BJFHIURXWGQXMP-INIZCTEOSA-N -1 1 332.444 2.243 20 0 EEADMM Cc1ccc(CNC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)cc1F ZINC001600414817 1350045978 /nfs/dbraw/zinc/04/59/78/1350045978.db2.gz GXIKXPNZDZLYTP-QGZVFWFLSA-N -1 1 336.407 2.373 20 0 EEADMM Cc1cccc(S(=O)(=O)NCc2cnc(C(C)C)[nH]2)c1C(=O)[O-] ZINC001600549633 1350080034 /nfs/dbraw/zinc/08/00/34/1350080034.db2.gz RDODGLNWOHEGRY-UHFFFAOYSA-N -1 1 337.401 2.018 20 0 EEADMM Cc1csc(CC2(O)CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)n1 ZINC001600658768 1350110540 /nfs/dbraw/zinc/11/05/40/1350110540.db2.gz NYGLGOAFKGIQDP-OAHLLOKOSA-N -1 1 347.440 2.042 20 0 EEADMM Cc1nc2cccc(C(=O)NC(C)(C)c3nocc3C(=O)[O-])c2[nH]1 ZINC001600721066 1350120708 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CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604204981 1350892712 /nfs/dbraw/zinc/89/27/12/1350892712.db2.gz NPEDMNRBPWNQDK-LBPRGKRZSA-N -1 1 345.407 2.075 20 0 EEADMM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604204981 1350892714 /nfs/dbraw/zinc/89/27/14/1350892714.db2.gz NPEDMNRBPWNQDK-LBPRGKRZSA-N -1 1 345.407 2.075 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@H]1CCCC[C@H]1C ZINC001604263800 1350904808 /nfs/dbraw/zinc/90/48/08/1350904808.db2.gz KWXDZFPYASSSHB-MFKMUULPSA-N -1 1 344.419 2.317 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)Nc1ccc(Cl)cn1 ZINC001604325845 1350915910 /nfs/dbraw/zinc/91/59/10/1350915910.db2.gz PHXBMMREGOFCPU-RISCZKNCSA-N -1 1 347.802 2.348 20 0 EEADMM C[C@@H](Oc1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1)C(=O)[O-] ZINC001604430292 1350936343 /nfs/dbraw/zinc/93/63/43/1350936343.db2.gz RSTDWKFNCZEVRQ-SJKOYZFVSA-N -1 1 340.379 2.192 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC001604493812 1350949100 /nfs/dbraw/zinc/94/91/00/1350949100.db2.gz NEHXEWPHAJNVOJ-KSSFIOAISA-N -1 1 349.431 2.313 20 0 EEADMM CCc1cc2c(ccn(Cc3nc(-c4nnn[n-]4)cs3)c2=O)s1 ZINC001604517829 1350953388 /nfs/dbraw/zinc/95/33/88/1350953388.db2.gz QPCJNJZCLBORQU-UHFFFAOYSA-N -1 1 344.425 2.310 20 0 EEADMM CCc1cc2c(ccn(Cc3nc(-c4nn[n-]n4)cs3)c2=O)s1 ZINC001604517829 1350953390 /nfs/dbraw/zinc/95/33/90/1350953390.db2.gz QPCJNJZCLBORQU-UHFFFAOYSA-N -1 1 344.425 2.310 20 0 EEADMM CCc1nc(NC[C@H]2CCCO[C@@H]2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001604563885 1350961737 /nfs/dbraw/zinc/96/17/37/1350961737.db2.gz HDKPKYVZFCFBBJ-IAQYHMDHSA-N -1 1 331.424 2.082 20 0 EEADMM CCc1nc(NC[C@H]2CCCO[C@@H]2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001604563885 1350961739 /nfs/dbraw/zinc/96/17/39/1350961739.db2.gz HDKPKYVZFCFBBJ-IAQYHMDHSA-N -1 1 331.424 2.082 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccsc1C(F)F ZINC001604793143 1351005669 /nfs/dbraw/zinc/00/56/69/1351005669.db2.gz RGGDQQLKODVUAY-VIFPVBQESA-N -1 1 332.372 2.307 20 0 EEADMM CNC(=O)Oc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001604886139 1351024867 /nfs/dbraw/zinc/02/48/67/1351024867.db2.gz MGHLKYWKKMRAAH-UHFFFAOYSA-N -1 1 330.373 2.259 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CN[C@@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC001604933821 1351034309 /nfs/dbraw/zinc/03/43/09/1351034309.db2.gz ZFPNVGKMLYLVEV-IGCXYCKISA-N -1 1 336.432 2.270 20 0 EEADMM COC1CCC(Cc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)CC1 ZINC001605030915 1351061661 /nfs/dbraw/zinc/06/16/61/1351061661.db2.gz WCRPFEYAMHLDGU-UHFFFAOYSA-N -1 1 341.375 2.059 20 0 EEADMM COC1CCC(Cc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)CC1 ZINC001605030915 1351061663 /nfs/dbraw/zinc/06/16/63/1351061663.db2.gz WCRPFEYAMHLDGU-UHFFFAOYSA-N -1 1 341.375 2.059 20 0 EEADMM CC[C@@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1nnc2n1CCCCC2 ZINC001605097734 1351078020 /nfs/dbraw/zinc/07/80/20/1351078020.db2.gz ZSCKIQIGQAPASA-TZMCWYRMSA-N -1 1 334.420 2.193 20 0 EEADMM CCCCC[C@H](NC(=O)[C@@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001605258964 1351117797 /nfs/dbraw/zinc/11/77/97/1351117797.db2.gz YYCVCLZNQAGIIY-GJZGRUSLSA-N -1 1 332.400 2.452 20 0 EEADMM COc1ccc(CC[C@@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001605271963 1351121861 /nfs/dbraw/zinc/12/18/61/1351121861.db2.gz UYGTVGQWCRHYJI-LLVKDONJSA-N -1 1 341.371 2.219 20 0 EEADMM COc1ccc(CC[C@@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001605271963 1351121863 /nfs/dbraw/zinc/12/18/63/1351121863.db2.gz UYGTVGQWCRHYJI-LLVKDONJSA-N -1 1 341.371 2.219 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1C ZINC001605306055 1351132049 /nfs/dbraw/zinc/13/20/49/1351132049.db2.gz KLFVDMBKVVZHOP-SNVBAGLBSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1C ZINC001605306055 1351132053 /nfs/dbraw/zinc/13/20/53/1351132053.db2.gz KLFVDMBKVVZHOP-SNVBAGLBSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ncc(NC(=O)N[C@@H](C)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001605348992 1351142602 /nfs/dbraw/zinc/14/26/02/1351142602.db2.gz XULLNXVONWMFTK-VIFPVBQESA-N -1 1 333.396 2.217 20 0 EEADMM CCCc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(C)n1 ZINC001605373398 1351147582 /nfs/dbraw/zinc/14/75/82/1351147582.db2.gz UMWMSPZEYJIEMX-UHFFFAOYSA-N -1 1 337.401 2.180 20 0 EEADMM CSc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)o1 ZINC001605382332 1351149635 /nfs/dbraw/zinc/14/96/35/1351149635.db2.gz KJGCKYLQKOMDTK-UHFFFAOYSA-N -1 1 335.414 2.482 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc(C(C)C)nc1 ZINC001605510831 1351174673 /nfs/dbraw/zinc/17/46/73/1351174673.db2.gz JMZYCTLKLDMWST-UHFFFAOYSA-N -1 1 339.359 2.046 20 0 EEADMM CCOC(=O)CCc1c(C)[nH]n(-c2ccc(C)c(C(=O)[O-])c2)c1=O ZINC001605537612 1351184504 /nfs/dbraw/zinc/18/45/04/1351184504.db2.gz HBVWPNOCAMAUGO-CYBMUJFWSA-N -1 1 332.356 2.375 20 0 EEADMM CCO[C@@H]1COCC[C@@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001605615191 1351201626 /nfs/dbraw/zinc/20/16/26/1351201626.db2.gz CGHHCRCFPUCLCP-OUCADQQQSA-N -1 1 331.771 2.388 20 0 EEADMM CCc1[nH]c(CN[C@@H](C)C(=O)NCCc2ccccc2)cc1C(=O)[O-] ZINC001605775413 1351222424 /nfs/dbraw/zinc/22/24/24/1351222424.db2.gz ILRIQZUTVXKLAT-ZDUSSCGKSA-N -1 1 343.427 2.112 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1 ZINC001605819294 1351228417 /nfs/dbraw/zinc/22/84/17/1351228417.db2.gz VGBFXAKNECFPRW-APHBMKBZSA-N -1 1 334.416 2.188 20 0 EEADMM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605829588 1351231156 /nfs/dbraw/zinc/23/11/56/1351231156.db2.gz LGZOORGXOUWUOY-LLVKDONJSA-N -1 1 347.400 2.150 20 0 EEADMM Cc1ccc(NCCN2CCCc3ccccc32)nc1-c1nnn[n-]1 ZINC001605874134 1351243479 /nfs/dbraw/zinc/24/34/79/1351243479.db2.gz JMQGPKIXDXLSON-UHFFFAOYSA-N -1 1 335.415 2.435 20 0 EEADMM Cc1ccc(NCCN2CCCc3ccccc32)nc1-c1nn[n-]n1 ZINC001605874134 1351243482 /nfs/dbraw/zinc/24/34/82/1351243482.db2.gz JMQGPKIXDXLSON-UHFFFAOYSA-N -1 1 335.415 2.435 20 0 EEADMM CCc1noc(C[C@@]2(O)CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)n1 ZINC001605876290 1351244061 /nfs/dbraw/zinc/24/40/61/1351244061.db2.gz GSRRWJFZIMIZFT-GTNSWQLSSA-N -1 1 349.387 2.054 20 0 EEADMM Cc1cccc(OCCNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001605923305 1351255240 /nfs/dbraw/zinc/25/52/40/1351255240.db2.gz ALTSOHMKUKSAIR-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1cccc(OCCNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001605923305 1351255244 /nfs/dbraw/zinc/25/52/44/1351255244.db2.gz ALTSOHMKUKSAIR-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@]2(C)CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC001606012932 1351263489 /nfs/dbraw/zinc/26/34/89/1351263489.db2.gz BHNOCSVJBLZUKZ-KRWDZBQOSA-N -1 1 337.387 2.032 20 0 EEADMM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606040731 1351265348 /nfs/dbraw/zinc/26/53/48/1351265348.db2.gz QZNSYRNQVQUVRI-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606040731 1351265350 /nfs/dbraw/zinc/26/53/50/1351265350.db2.gz QZNSYRNQVQUVRI-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001606110093 1351272104 /nfs/dbraw/zinc/27/21/04/1351272104.db2.gz KKQMABPCPWUEHS-YVMONPNESA-N -1 1 343.778 2.214 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606110093 1351272107 /nfs/dbraw/zinc/27/21/07/1351272107.db2.gz KKQMABPCPWUEHS-YVMONPNESA-N -1 1 343.778 2.214 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C(C)C)nc2)c1-c1nnn[n-]1 ZINC001606139736 1351278200 /nfs/dbraw/zinc/27/82/00/1351278200.db2.gz UFPDKOMZVRBFNU-UHFFFAOYSA-N -1 1 343.416 2.427 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C(C)C)nc2)c1-c1nn[n-]n1 ZINC001606139736 1351278204 /nfs/dbraw/zinc/27/82/04/1351278204.db2.gz UFPDKOMZVRBFNU-UHFFFAOYSA-N -1 1 343.416 2.427 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC001606165878 1351280284 /nfs/dbraw/zinc/28/02/84/1351280284.db2.gz LJCJZKSPHPZOGS-CQSZACIVSA-N -1 1 345.403 2.189 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC001606165878 1351280287 /nfs/dbraw/zinc/28/02/87/1351280287.db2.gz LJCJZKSPHPZOGS-CQSZACIVSA-N -1 1 345.403 2.189 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001606169095 1351280566 /nfs/dbraw/zinc/28/05/66/1351280566.db2.gz MNQLKGUXOJDHFK-QWHCGFSZSA-N -1 1 347.419 2.480 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001606169095 1351280568 /nfs/dbraw/zinc/28/05/68/1351280568.db2.gz MNQLKGUXOJDHFK-QWHCGFSZSA-N -1 1 347.419 2.480 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Br)ccn1 ZINC001606169051 1351280869 /nfs/dbraw/zinc/28/08/69/1351280869.db2.gz LHWBIUBUOAHDKU-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Br)ccn1 ZINC001606169051 1351280873 /nfs/dbraw/zinc/28/08/73/1351280873.db2.gz LHWBIUBUOAHDKU-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC001606169416 1351280877 /nfs/dbraw/zinc/28/08/77/1351280877.db2.gz KSYGQYCEWVWKNF-SSDOTTSWSA-N -1 1 331.307 2.213 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC001606169416 1351280880 /nfs/dbraw/zinc/28/08/80/1351280880.db2.gz KSYGQYCEWVWKNF-SSDOTTSWSA-N -1 1 331.307 2.213 20 0 EEADMM Clc1sc(N2CCC(c3ccncn3)CC2)nc1-c1nn[n-]n1 ZINC001606200861 1351284762 /nfs/dbraw/zinc/28/47/62/1351284762.db2.gz IMAUOLWZUMOACM-UHFFFAOYSA-N -1 1 348.823 2.151 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001606298108 1351290145 /nfs/dbraw/zinc/29/01/45/1351290145.db2.gz DVMZFYWHKVFVJJ-ZCFIWIBFSA-N -1 1 349.798 2.118 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001606298108 1351290147 /nfs/dbraw/zinc/29/01/47/1351290147.db2.gz DVMZFYWHKVFVJJ-ZCFIWIBFSA-N -1 1 349.798 2.118 20 0 EEADMM Fc1ccc(OC[C@H]2CCC[C@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001606322534 1351292481 /nfs/dbraw/zinc/29/24/81/1351292481.db2.gz CKEIOXWEQPUSTC-VXNVDRBHSA-N -1 1 347.272 2.280 20 0 EEADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC[C@@H](C)OCc1ccccc1 ZINC001606386402 1351300012 /nfs/dbraw/zinc/30/00/12/1351300012.db2.gz OGYPOKFJBZAUTK-OIISXLGYSA-N -1 1 349.427 2.320 20 0 EEADMM O=C(CCCc1cccnc1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606518152 1351315025 /nfs/dbraw/zinc/31/50/25/1351315025.db2.gz NGODPAXCLMLUEA-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(CCSc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606525873 1351316758 /nfs/dbraw/zinc/31/67/58/1351316758.db2.gz LEUCKZKSEFOHNG-UHFFFAOYSA-N -1 1 326.385 2.383 20 0 EEADMM O=C(CCSc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606525873 1351316764 /nfs/dbraw/zinc/31/67/64/1351316764.db2.gz LEUCKZKSEFOHNG-UHFFFAOYSA-N -1 1 326.385 2.383 20 0 EEADMM O=C(CCc1ccc(Cl)s1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606530280 1351317428 /nfs/dbraw/zinc/31/74/28/1351317428.db2.gz QNJRVWPNSVCJST-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(CCc1ccc(Cl)s1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606530280 1351317431 /nfs/dbraw/zinc/31/74/31/1351317431.db2.gz QNJRVWPNSVCJST-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(COc1ccccc1-c1nn[nH]n1)Nc1ccc([O-])c(Cl)c1 ZINC001606578460 1351325424 /nfs/dbraw/zinc/32/54/24/1351325424.db2.gz GTLZMXNQRYFZOA-UHFFFAOYSA-N -1 1 345.746 2.243 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1ccc2occc2c1 ZINC001606596476 1351329436 /nfs/dbraw/zinc/32/94/36/1351329436.db2.gz NMVVXGMGHJBDAR-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1ccc2occc2c1 ZINC001606596476 1351329439 /nfs/dbraw/zinc/32/94/39/1351329439.db2.gz NMVVXGMGHJBDAR-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606632503 1351334808 /nfs/dbraw/zinc/33/48/08/1351334808.db2.gz BFRAUUNRUBGRCK-SNVBAGLBSA-N -1 1 329.257 2.077 20 0 EEADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606632503 1351334810 /nfs/dbraw/zinc/33/48/10/1351334810.db2.gz BFRAUUNRUBGRCK-SNVBAGLBSA-N -1 1 329.257 2.077 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606704070 1351344389 /nfs/dbraw/zinc/34/43/89/1351344389.db2.gz AKUNBENINBCZRV-UHFFFAOYSA-N -1 1 340.309 2.114 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606704070 1351344393 /nfs/dbraw/zinc/34/43/93/1351344393.db2.gz AKUNBENINBCZRV-UHFFFAOYSA-N -1 1 340.309 2.114 20 0 EEADMM O=C(Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)c1ncc[nH]1 ZINC001606928441 1351378512 /nfs/dbraw/zinc/37/85/12/1351378512.db2.gz MHVLASICNDLQCN-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)c1ncc[nH]1 ZINC001606928441 1351378514 /nfs/dbraw/zinc/37/85/14/1351378514.db2.gz MHVLASICNDLQCN-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C/C(Cl)=C/Cl)CCCC2 ZINC001607089443 1351412909 /nfs/dbraw/zinc/41/29/09/1351412909.db2.gz UMDNKLBSRZYLDN-UITAMQMPSA-N -1 1 326.187 2.226 20 0 EEADMM O=c1[nH]c2cc(CNc3nc(-c4nn[n-]n4)c(Cl)s3)ccc2o1 ZINC001607088371 1351413473 /nfs/dbraw/zinc/41/34/73/1351413473.db2.gz JMERSFOJHUXVSF-UHFFFAOYSA-N -1 1 349.763 2.436 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1CCC3(CC3)CC1)CCC2 ZINC001607089068 1351413566 /nfs/dbraw/zinc/41/35/66/1351413566.db2.gz DSYCSDLOGVANPW-UHFFFAOYSA-N -1 1 325.416 2.488 20 0 EEADMM O[C@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC001607098860 1351417237 /nfs/dbraw/zinc/41/72/37/1351417237.db2.gz BDCJGGCNCKXPFQ-AWEZNQCLSA-N -1 1 348.819 2.223 20 0 EEADMM O[C@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC001607098860 1351417238 /nfs/dbraw/zinc/41/72/38/1351417238.db2.gz BDCJGGCNCKXPFQ-AWEZNQCLSA-N -1 1 348.819 2.223 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CNCc1nc(-c2ccccc2)no1 ZINC001607127959 1351430364 /nfs/dbraw/zinc/43/03/64/1351430364.db2.gz GTMHMZQBTQAHJS-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM COc1cccc([C@H](NCc2cn(C)nc2C(F)(F)F)C(=O)[O-])c1 ZINC001607312693 1351471108 /nfs/dbraw/zinc/47/11/08/1351471108.db2.gz HYVVZCQXFDMWLQ-LBPRGKRZSA-N -1 1 343.305 2.363 20 0 EEADMM COc1cccc(C[C@H](N)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001607317825 1351472466 /nfs/dbraw/zinc/47/24/66/1351472466.db2.gz AURUYVPICADTAK-INIZCTEOSA-N -1 1 328.368 2.210 20 0 EEADMM COc1ccccc1[C@H](N)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001607339215 1351478121 /nfs/dbraw/zinc/47/81/21/1351478121.db2.gz UFYWONPFPVXDHL-MRXNPFEDSA-N -1 1 342.395 2.142 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001607601298 1351522410 /nfs/dbraw/zinc/52/24/10/1351522410.db2.gz AINPTIXXZGSXRM-UHFFFAOYSA-N -1 1 328.368 2.243 20 0 EEADMM Cc1cc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)o1 ZINC001607609594 1351524539 /nfs/dbraw/zinc/52/45/39/1351524539.db2.gz OYORSQMPVQWNBR-YPMHNXCESA-N -1 1 337.420 2.148 20 0 EEADMM Cc1cc(CNCc2cccnc2OCC(F)F)[nH]c1C(=O)[O-] ZINC001607648963 1351532923 /nfs/dbraw/zinc/53/29/23/1351532923.db2.gz WZXBQFHJMRRWIG-UHFFFAOYSA-N -1 1 325.315 2.350 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001607755511 1351552654 /nfs/dbraw/zinc/55/26/54/1351552654.db2.gz ZJYURCGSDRHTPL-UKRRQHHQSA-N -1 1 342.399 2.091 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c(O)c1 ZINC001607810743 1351563696 /nfs/dbraw/zinc/56/36/96/1351563696.db2.gz MACMLGASVCXJEZ-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC001607850899 1351571554 /nfs/dbraw/zinc/57/15/54/1351571554.db2.gz RTJWGIGXVXOXJP-HZPDHXFCSA-N -1 1 336.407 2.279 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1O ZINC001607858201 1351573251 /nfs/dbraw/zinc/57/32/51/1351573251.db2.gz LHJFJQICEMNULJ-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1nc(C)c(NS(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001607952061 1351591605 /nfs/dbraw/zinc/59/16/05/1351591605.db2.gz IXNGFNSVHZPJSW-LBPRGKRZSA-N -1 1 340.426 2.370 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)CCc2ccccc2C(=O)[O-])[nH]n1 ZINC001608129769 1351631148 /nfs/dbraw/zinc/63/11/48/1351631148.db2.gz XFBZPHBVTUTKQF-UHFFFAOYSA-N -1 1 339.355 2.080 20 0 EEADMM O=C(NCc1ccc(-c2nnco2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC001623371855 1352395802 /nfs/dbraw/zinc/39/58/02/1352395802.db2.gz ARUAAQVIFHBMLW-UHFFFAOYSA-N -1 1 337.339 2.040 20 0 EEADMM O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc2oc(=O)nc-2[n-]1 ZINC001624926887 1352435070 /nfs/dbraw/zinc/43/50/70/1352435070.db2.gz YRDCUQJLINSMJO-UHFFFAOYSA-N -1 1 337.295 2.276 20 0 EEADMM COc1c(=O)[nH]c([O-])nc1C(=O)Nc1cccc(-c2nccs2)c1 ZINC001625142455 1352440945 /nfs/dbraw/zinc/44/09/45/1352440945.db2.gz FPCJMMUBVIRHCG-UHFFFAOYSA-N -1 1 344.352 2.272 20 0 EEADMM CCC(CC)(NC(=O)c1cnn(-c2ccccc2C)c1)c1nn[n-]n1 ZINC001626904669 1352477317 /nfs/dbraw/zinc/47/73/17/1352477317.db2.gz YJDRKFAEDTYLJN-UHFFFAOYSA-N -1 1 339.403 2.139 20 0 EEADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc([O-])cn2)o1 ZINC001628348750 1352531072 /nfs/dbraw/zinc/53/10/72/1352531072.db2.gz YFGYYXOYEBUQTF-INIZCTEOSA-N -1 1 336.351 2.418 20 0 EEADMM O=C(c1cccc(Oc2ccccn2)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001632987066 1352603578 /nfs/dbraw/zinc/60/35/78/1352603578.db2.gz ZYDJARWHGOKQTO-ZDUSSCGKSA-N -1 1 336.355 2.017 20 0 EEADMM CCOc1c(F)cccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001642558030 1352734025 /nfs/dbraw/zinc/73/40/25/1352734025.db2.gz MQEMXOGUUXYHTB-AWEZNQCLSA-N -1 1 341.346 2.257 20 0 EEADMM Cc1n[nH]c(=O)c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C ZINC001649743473 1353581301 /nfs/dbraw/zinc/58/13/01/1353581301.db2.gz YPUHMZRCMBQFKT-UHFFFAOYSA-N -1 1 341.289 2.453 20 0 EEADMM O=C([O-])c1cc(CNCc2cc(Cl)c3c(c2)OCCCO3)[nH]n1 ZINC001650014342 1353688542 /nfs/dbraw/zinc/68/85/42/1353688542.db2.gz XAYKGZWVQGWTET-UHFFFAOYSA-N -1 1 337.763 2.212 20 0 EEADMM O=c1[nH][n-]cc1-c1nnc(N2CCCCCC2)n1C[C@@H]1CCCCO1 ZINC001650496970 1353954635 /nfs/dbraw/zinc/95/46/35/1353954635.db2.gz QUDZGSMWTWMXEE-ZDUSSCGKSA-N -1 1 346.435 2.323 20 0 EEADMM Cc1cnc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC001651282472 1354047562 /nfs/dbraw/zinc/04/75/62/1354047562.db2.gz PDBRITRLSAHMGJ-UHFFFAOYSA-N -1 1 339.355 2.420 20 0 EEADMM O=S(=O)(CC1CC1)[N-]c1cn2c(cccc2Br)n1 ZINC001188938391 1368331927 /nfs/dbraw/zinc/33/19/27/1368331927.db2.gz CHDYKRBSHFCOFN-UHFFFAOYSA-N -1 1 330.207 2.249 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])cc3F)cn2)CC1 ZINC001203283808 1368357674 /nfs/dbraw/zinc/35/76/74/1368357674.db2.gz PLFGNLVHMOBWTE-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2n[nH]cc2C)c1 ZINC001195900318 1368574072 /nfs/dbraw/zinc/57/40/72/1368574072.db2.gz IMKYEYAFDKCTAO-UHFFFAOYSA-N -1 1 326.150 2.447 20 0 EEADMM O=[P@]([O-])(O)CCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201169018 1368787910 /nfs/dbraw/zinc/78/79/10/1368787910.db2.gz VUGXJQIUWGLHGL-UHFFFAOYSA-N -1 1 329.145 2.458 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)C1(F)CCCC1 ZINC001488777899 1369066417 /nfs/dbraw/zinc/06/64/17/1369066417.db2.gz CHPGXUMYQRWIAH-NWDGAFQWSA-N -1 1 337.395 2.083 20 0 EEADMM CC[C@@H](C(=O)OCCc1c(C)nc2[n-]cnn2c1=O)c1ccccc1 ZINC000119095563 1369549209 /nfs/dbraw/zinc/54/92/09/1369549209.db2.gz AYGYDWLMSWRGAZ-CQSZACIVSA-N -1 1 340.383 2.006 20 0 EEADMM Cc1ccc(N2C[C@@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)cc1F ZINC000777974984 1369887104 /nfs/dbraw/zinc/88/71/04/1369887104.db2.gz RMCGOXOICWTLOC-JTQLQIEISA-N -1 1 348.296 2.487 20 0 EEADMM NC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000782534213 1371308449 /nfs/dbraw/zinc/30/84/49/1371308449.db2.gz UJBAMGLNFPORRR-UHFFFAOYSA-N -1 1 335.360 2.068 20 0 EEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)c1 ZINC000782533836 1371309746 /nfs/dbraw/zinc/30/97/46/1371309746.db2.gz NRXYUHSVNGNMNU-UHFFFAOYSA-N -1 1 345.424 2.491 20 0 EEADMM COC(C)(C)C(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000798639612 1371599352 /nfs/dbraw/zinc/59/93/52/1371599352.db2.gz ZVVHMLLUEDLAHK-UHFFFAOYSA-N -1 1 331.162 2.306 20 0 EEADMM CCCCc1nc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)no1 ZINC000799173387 1371634926 /nfs/dbraw/zinc/63/49/26/1371634926.db2.gz ARFKXVJQLPPYCJ-UHFFFAOYSA-N -1 1 348.369 2.303 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNc1cccc(F)n1)C1CC1 ZINC001115508468 1371651097 /nfs/dbraw/zinc/65/10/97/1371651097.db2.gz RWRXXQAIQLRQIJ-LBPRGKRZSA-N -1 1 330.363 2.284 20 0 EEADMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000832462429 1372442535 /nfs/dbraw/zinc/44/25/35/1372442535.db2.gz FBBKGWUSHKXVHM-MRVPVSSYSA-N -1 1 349.243 2.031 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000832484893 1372446455 /nfs/dbraw/zinc/44/64/55/1372446455.db2.gz AIJPJUPRGXBVCE-LBPRGKRZSA-N -1 1 335.448 2.411 20 0 EEADMM O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc2[n-]c(=S)oc2c1 ZINC000848275832 1373118638 /nfs/dbraw/zinc/11/86/38/1373118638.db2.gz MBCREUDIWIKOSD-JTQLQIEISA-N -1 1 345.384 2.016 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000848340635 1373137076 /nfs/dbraw/zinc/13/70/76/1373137076.db2.gz MMLBFDITSOFDAO-LBELIVKGSA-N -1 1 332.366 2.481 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC001361677975 1373328347 /nfs/dbraw/zinc/32/83/47/1373328347.db2.gz NEQHBGZYTADJDD-CYBMUJFWSA-N -1 1 345.403 2.109 20 0 EEADMM CCOc1ccc(NC(=O)CNC(=O)c2cccc([O-])c2F)cc1 ZINC001362077982 1373364264 /nfs/dbraw/zinc/36/42/64/1373364264.db2.gz QTXLYKGMPSVGLB-UHFFFAOYSA-N -1 1 332.331 2.299 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c(=O)[n-]1 ZINC001362218410 1373378366 /nfs/dbraw/zinc/37/83/66/1373378366.db2.gz DGNKPJCCNSUSDW-QWRGUYRKSA-N -1 1 325.434 2.228 20 0 EEADMM Cc1ccc(CCN2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC001365631382 1373747900 /nfs/dbraw/zinc/74/79/00/1373747900.db2.gz ZXTBSLVQQHPJLF-UHFFFAOYSA-N -1 1 325.412 2.096 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001370134309 1374820191 /nfs/dbraw/zinc/82/01/91/1374820191.db2.gz DSYFHBCTDPLGQY-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)C1CCCC1 ZINC001372748003 1376180647 /nfs/dbraw/zinc/18/06/47/1376180647.db2.gz ADJYATXAHOHEHF-LLVKDONJSA-N -1 1 348.447 2.039 20 0 EEADMM CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001378100877 1379712608 /nfs/dbraw/zinc/71/26/08/1379712608.db2.gz ZJRVGJKORAVARN-ZIAGYGMSSA-N -1 1 333.432 2.382 20 0 EEADMM CCC(C)(C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001378911400 1380267700 /nfs/dbraw/zinc/26/77/00/1380267700.db2.gz UNYDHGGLCLGGKF-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM Cc1cc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])c(C)s1 ZINC001380793086 1381376990 /nfs/dbraw/zinc/37/69/90/1381376990.db2.gz JDYNHVAWQYKSSO-JTQLQIEISA-N -1 1 347.440 2.356 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c(C)c1 ZINC001382230762 1382037536 /nfs/dbraw/zinc/03/75/36/1382037536.db2.gz AVTCDYKXDOKVLW-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CCN(C(=O)C1CCCCC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383718396 1382686369 /nfs/dbraw/zinc/68/63/69/1382686369.db2.gz QSJOEVFJGMNJPQ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@](CNC(=O)c1ncccc1[O-])(NC(=O)CCC1(C)CC1)C1CC1 ZINC001390860243 1388827774 /nfs/dbraw/zinc/82/77/74/1388827774.db2.gz DKMUGBSVKFKWFR-IBGZPJMESA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386300882 1386055026 /nfs/dbraw/zinc/05/50/26/1386055026.db2.gz LAIDUCZKGWVIOL-KBPBESRZSA-N -1 1 341.411 2.134 20 0 EEADMM C[C@@H](CNC(=O)C1(C2CCCCC2)CC1)NC(=O)c1ncccc1[O-] ZINC001387005534 1386445437 /nfs/dbraw/zinc/44/54/37/1386445437.db2.gz FJVAVRDTYHDMCE-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM CCc1sc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])cc1C ZINC001392297743 1389959912 /nfs/dbraw/zinc/95/99/12/1389959912.db2.gz QHYJDHINWWDUKI-LLVKDONJSA-N -1 1 347.440 2.268 20 0 EEADMM C[C@@H](CNC(=O)[C@@H]1CCCC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001392775747 1390192413 /nfs/dbraw/zinc/19/24/13/1390192413.db2.gz ZRLKDPUUYHYQTI-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@]1(CNC(=O)C2CCCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001394401955 1390686476 /nfs/dbraw/zinc/68/64/76/1390686476.db2.gz SNWYFLGHWISWFG-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CCCc1nc(CN[C@H](C)CN(C)C(=O)c2ncccc2[O-])cs1 ZINC001394472053 1390707776 /nfs/dbraw/zinc/70/77/76/1390707776.db2.gz WSJIZCGBBZABCQ-GFCCVEGCSA-N -1 1 348.472 2.447 20 0 EEADMM Cc1scc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001397452988 1391233671 /nfs/dbraw/zinc/23/36/71/1391233671.db2.gz PJRQELHJLPRTCO-VIFPVBQESA-N -1 1 333.413 2.014 20 0 EEADMM CN(C[C@H]1CCN(C(=O)CCCC2CC2)C1)C(=O)c1ncccc1[O-] ZINC001398488315 1393014429 /nfs/dbraw/zinc/01/44/29/1393014429.db2.gz DPKSVPBKFPVFSG-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CCCC1 ZINC001399993733 1395783915 /nfs/dbraw/zinc/78/39/15/1395783915.db2.gz PMLPLHUKFRXBFE-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC1(C(=O)N2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001424496401 1401135856 /nfs/dbraw/zinc/13/58/56/1401135856.db2.gz BFNBBJLWOMCQDT-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001428092063 1402614999 /nfs/dbraw/zinc/61/49/99/1402614999.db2.gz NQMYAVBHKFKARW-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CCN(CCNC(=O)CCc1ccsc1)C(=O)c1ncccc1[O-] ZINC001431648183 1403098656 /nfs/dbraw/zinc/09/86/56/1403098656.db2.gz UGKXFOSRJSFSMF-UHFFFAOYSA-N -1 1 347.440 2.060 20 0 EEADMM C[C@@]1(NC(=O)CC2CCCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001434149548 1403459703 /nfs/dbraw/zinc/45/97/03/1403459703.db2.gz GAJKWJMGYBYSBT-LJQANCHMSA-N -1 1 345.443 2.478 20 0 EEADMM CC[C@H](C)CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576617777 1403592787 /nfs/dbraw/zinc/59/27/87/1403592787.db2.gz RENOOKVPEPFBDE-NSHDSACASA-N -1 1 348.476 2.007 20 0 EEADMM CCCCc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001577520557 1403662190 /nfs/dbraw/zinc/66/21/90/1403662190.db2.gz WXUBAJMXHMRYDY-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM CCCCc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001577520557 1403662194 /nfs/dbraw/zinc/66/21/94/1403662194.db2.gz WXUBAJMXHMRYDY-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM CCOc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578402413 1403747236 /nfs/dbraw/zinc/74/72/36/1403747236.db2.gz PKEFROKASLWDLK-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccn1 ZINC001578423520 1403751994 /nfs/dbraw/zinc/75/19/94/1403751994.db2.gz NYYDUPBBDGMSCJ-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccn1 ZINC001578423520 1403751999 /nfs/dbraw/zinc/75/19/99/1403751999.db2.gz NYYDUPBBDGMSCJ-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM COCCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](C)C1 ZINC001591420773 1403911323 /nfs/dbraw/zinc/91/13/23/1403911323.db2.gz HMHRTVAHBNACKT-JQWIXIFHSA-N -1 1 335.433 2.205 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591651948 1403934536 /nfs/dbraw/zinc/93/45/36/1403934536.db2.gz VPCZQIGBXHNRHE-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591651948 1403934541 /nfs/dbraw/zinc/93/45/41/1403934541.db2.gz VPCZQIGBXHNRHE-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001592246700 1404013449 /nfs/dbraw/zinc/01/34/49/1404013449.db2.gz VSQRIILYPLLFDS-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001592246700 1404013455 /nfs/dbraw/zinc/01/34/55/1404013455.db2.gz VSQRIILYPLLFDS-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592244523 1404014397 /nfs/dbraw/zinc/01/43/97/1404014397.db2.gz ZDUDQHSZUSHILD-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592244523 1404014402 /nfs/dbraw/zinc/01/44/02/1404014402.db2.gz ZDUDQHSZUSHILD-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C2CCC2)CC1 ZINC001592914181 1404728585 /nfs/dbraw/zinc/72/85/85/1404728585.db2.gz YSVLWCRLFHHHSD-HNNXBMFYSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C2CCC2)CC1 ZINC001592914181 1404728588 /nfs/dbraw/zinc/72/85/88/1404728588.db2.gz YSVLWCRLFHHHSD-HNNXBMFYSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccsc1 ZINC001592914066 1404729365 /nfs/dbraw/zinc/72/93/65/1404729365.db2.gz VNQIRABUTREOBI-AWEZNQCLSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccsc1 ZINC001592914066 1404729370 /nfs/dbraw/zinc/72/93/70/1404729370.db2.gz VNQIRABUTREOBI-AWEZNQCLSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(NC[C@@H]1CCCC2(CCC2)O1)c1csc(-c2nn[n-]n2)c1 ZINC001593032286 1404738581 /nfs/dbraw/zinc/73/85/81/1404738581.db2.gz RVMTZQTWTJWNIA-NSHDSACASA-N -1 1 333.417 2.150 20 0 EEADMM Fc1cc2ncc(NCc3nc(-c4nnn[n-]4)cs3)nc2cc1F ZINC001606313135 1404788263 /nfs/dbraw/zinc/78/82/63/1404788263.db2.gz IIADRHWSYOGFKV-UHFFFAOYSA-N -1 1 346.326 2.157 20 0 EEADMM Fc1cc2ncc(NCc3nc(-c4nn[n-]n4)cs3)nc2cc1F ZINC001606313135 1404788267 /nfs/dbraw/zinc/78/82/67/1404788267.db2.gz IIADRHWSYOGFKV-UHFFFAOYSA-N -1 1 346.326 2.157 20 0 EEADMM Fc1ccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c(F)c1 ZINC001606319911 1404791196 /nfs/dbraw/zinc/79/11/96/1404791196.db2.gz YGLSTBSVAAUBOG-UHFFFAOYSA-N -1 1 339.309 2.452 20 0 EEADMM CC(C)=CC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001755949758 1408022563 /nfs/dbraw/zinc/02/25/63/1408022563.db2.gz OBFVGDVWVKKKPU-NWDGAFQWSA-N -1 1 348.447 2.203 20 0 EEADMM CC/C(C)=C\C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001756229826 1408238824 /nfs/dbraw/zinc/23/88/24/1408238824.db2.gz AHRKISQGTVKOQB-HVDISPMTSA-N -1 1 331.416 2.301 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H]1C=CCC1 ZINC001756702480 1409220942 /nfs/dbraw/zinc/22/09/42/1409220942.db2.gz COZFMBAYGHRVLM-DZGCQCFKSA-N -1 1 345.443 2.404 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C=C1CCCCC1 ZINC001757279521 1409614336 /nfs/dbraw/zinc/61/43/36/1409614336.db2.gz WCGLJVJDDGSPQQ-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC001771641225 1409811381 /nfs/dbraw/zinc/81/13/81/1409811381.db2.gz IJGSHNFUCOIEQC-AAEUAGOBSA-N -1 1 349.399 2.455 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)O)cc2)cc1 ZINC000319894311 1409854732 /nfs/dbraw/zinc/85/47/32/1409854732.db2.gz WLGDFPGEMWCLNB-LLVKDONJSA-N -1 1 334.397 2.499 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001771792342 1409950646 /nfs/dbraw/zinc/95/06/46/1409950646.db2.gz AOOXARJGLCSYHJ-LBPRGKRZSA-N -1 1 331.372 2.339 20 0 EEADMM O=C(NC[C@@H]1CCC[C@@H]1NC(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000946239943 790293117 /nfs/dbraw/zinc/29/31/17/790293117.db2.gz OMXSIANYPCENKR-STQMWFEESA-N -1 1 349.406 2.084 20 0 EEADMM Cc1nccc(NC2(CNC(=O)c3ncccc3[O-])CCCC2)n1 ZINC001104382381 760006920 /nfs/dbraw/zinc/00/69/20/760006920.db2.gz LZSKWIQYRLJUQO-UHFFFAOYSA-N -1 1 327.388 2.040 20 0 EEADMM Cc1cnc(C)nc1NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001104382645 760007417 /nfs/dbraw/zinc/00/74/17/760007417.db2.gz ZIZNDEARPIBQMN-UHFFFAOYSA-N -1 1 341.415 2.349 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C/C=C/Cl ZINC001087351929 761790548 /nfs/dbraw/zinc/79/05/48/761790548.db2.gz BHOJHHIOWOWMLX-FSZZIMOKSA-N -1 1 347.846 2.322 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417016 768918641 /nfs/dbraw/zinc/91/86/41/768918641.db2.gz UHBLATSJNUWHBE-GXTWGEPZSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417016 768918648 /nfs/dbraw/zinc/91/86/48/768918648.db2.gz UHBLATSJNUWHBE-GXTWGEPZSA-N -1 1 349.479 2.053 20 0 EEADMM O=C([N-]NC(=O)C1=CCCC1)c1cc(F)ccc1Br ZINC000154802558 769366048 /nfs/dbraw/zinc/36/60/48/769366048.db2.gz UXCSMQDMBVTKAV-UHFFFAOYSA-N -1 1 327.153 2.460 20 0 EEADMM O=C(NCC[NH2+][C@@H]1CCc2c1c(F)ccc2F)c1ncccc1[O-] ZINC001126124606 770022559 /nfs/dbraw/zinc/02/25/59/770022559.db2.gz CRPAXEHEYRGFHC-CYBMUJFWSA-N -1 1 333.338 2.072 20 0 EEADMM O=C(NCC1CN(Cc2ccc(Cl)cc2F)C1)c1ncccc1[O-] ZINC001031627446 770440087 /nfs/dbraw/zinc/44/00/87/770440087.db2.gz NKOCTHSBWQTWEH-UHFFFAOYSA-N -1 1 349.793 2.442 20 0 EEADMM O=C(NC[C@@H](O)COc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000920463643 770715102 /nfs/dbraw/zinc/71/51/02/770715102.db2.gz VOOBYNOLUNTJFT-LLVKDONJSA-N -1 1 339.750 2.354 20 0 EEADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)C(=O)NCc1ccccc1 ZINC000920463968 770715201 /nfs/dbraw/zinc/71/52/01/770715201.db2.gz XUPZGHBIDTYDOV-NSHDSACASA-N -1 1 332.787 2.480 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2c(C)cc(C)cc2C)o1 ZINC000920891090 770887052 /nfs/dbraw/zinc/88/70/52/770887052.db2.gz CGVRZLKUAKEBOX-UHFFFAOYSA-N -1 1 337.397 2.470 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000942754893 783137457 /nfs/dbraw/zinc/13/74/57/783137457.db2.gz SCDXLCCDVKOSGB-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC000942754994 783138119 /nfs/dbraw/zinc/13/81/19/783138119.db2.gz BBAXMPCJAUEGNS-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980204000 774109931 /nfs/dbraw/zinc/10/99/31/774109931.db2.gz KWHIPKJFANWCOK-IHRRRGAJSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(N[C@H]1CCCCN(c2cncc(Cl)n2)C1)c1ncccc1[O-] ZINC001063185082 790338711 /nfs/dbraw/zinc/33/87/11/790338711.db2.gz CWHLVUOLGIDTTI-NSHDSACASA-N -1 1 347.806 2.020 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(c2cccc(F)n2)C1 ZINC001060357728 790411563 /nfs/dbraw/zinc/41/15/63/790411563.db2.gz JRZXELICFOHPRD-STQMWFEESA-N -1 1 344.390 2.356 20 0 EEADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000069604370 777022624 /nfs/dbraw/zinc/02/26/24/777022624.db2.gz LCDMCQKSFCAUPZ-VXGBXAGGSA-N -1 1 326.374 2.231 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000939804197 777410796 /nfs/dbraw/zinc/41/07/96/777410796.db2.gz UPNYVFWRFHHYIP-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C)CC[C@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832688 779378997 /nfs/dbraw/zinc/37/89/97/779378997.db2.gz MGPFXAINYQUBHE-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H](O)c1cccc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)n1 ZINC000893867440 780255584 /nfs/dbraw/zinc/25/55/84/780255584.db2.gz IONIWPSWLMKWSY-RMIALFOJSA-N -1 1 345.365 2.417 20 0 EEADMM COCc1nc(NCc2cc(C)nc(N3CCCC3)c2)cc(=O)[n-]1 ZINC000893911884 780298815 /nfs/dbraw/zinc/29/88/15/780298815.db2.gz VBNTUUVGEGUGPY-UHFFFAOYSA-N -1 1 329.404 2.244 20 0 EEADMM COCc1nc(N2CCN(c3cccc(F)c3)C[C@H]2C)cc(=O)[n-]1 ZINC000893962366 780329631 /nfs/dbraw/zinc/32/96/31/780329631.db2.gz XJBXBQOSCZSMJQ-GFCCVEGCSA-N -1 1 332.379 2.183 20 0 EEADMM CCc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC000941375217 780422584 /nfs/dbraw/zinc/42/25/84/780422584.db2.gz ZTJHCQOSDMIISR-LLVKDONJSA-N -1 1 345.424 2.056 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(C2CCC2)CCC1 ZINC000941740543 781012686 /nfs/dbraw/zinc/01/26/86/781012686.db2.gz REVYDOGTKPLLFT-CQSZACIVSA-N -1 1 343.427 2.088 20 0 EEADMM C#Cc1cccc(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000183492219 781049010 /nfs/dbraw/zinc/04/90/10/781049010.db2.gz ISRZKUBJMCXZKP-UHFFFAOYSA-N -1 1 329.743 2.493 20 0 EEADMM O=C(C=C1CCCCC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088275490 783324514 /nfs/dbraw/zinc/32/45/14/783324514.db2.gz CGFWODJKCBFGEH-OAHLLOKOSA-N -1 1 347.463 2.262 20 0 EEADMM CCN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942922335 783464397 /nfs/dbraw/zinc/46/43/97/783464397.db2.gz NKPWDLARHBIZGM-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000805604260 783628961 /nfs/dbraw/zinc/62/89/61/783628961.db2.gz BEYDVIXYRVRVOH-ZCFIWIBFSA-N -1 1 329.143 2.296 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C(C)(C)C1CC1 ZINC000945290518 783770672 /nfs/dbraw/zinc/77/06/72/783770672.db2.gz USYPOBXKDQDWDU-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM CCn1ncn([N-]C(=O)c2cc3c(s2)-c2ccccc2CC3)c1=O ZINC000816736038 784213297 /nfs/dbraw/zinc/21/32/97/784213297.db2.gz HGEBTZGMSUGUBR-UHFFFAOYSA-N -1 1 340.408 2.276 20 0 EEADMM C[C@@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000907479329 784685946 /nfs/dbraw/zinc/68/59/46/784685946.db2.gz CNILOYXTDIABAW-BXKDBHETSA-N -1 1 337.836 2.273 20 0 EEADMM O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479218 784685979 /nfs/dbraw/zinc/68/59/79/784685979.db2.gz ZXFLIQWVTGZQTE-BBBLOLIVSA-N -1 1 349.382 2.185 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1cc([C@H]2CCCOC2)nn1C ZINC000907857936 784911817 /nfs/dbraw/zinc/91/18/17/784911817.db2.gz JAEWQQSCNKXWST-NSHDSACASA-N -1 1 331.372 2.281 20 0 EEADMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907962028 784991173 /nfs/dbraw/zinc/99/11/73/784991173.db2.gz XLGNEQROYUSVAS-AWEZNQCLSA-N -1 1 327.388 2.161 20 0 EEADMM COc1ccc2c(c1)OCCN(C(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC000908061142 785035827 /nfs/dbraw/zinc/03/58/27/785035827.db2.gz YVLJOUMFEPWMPL-UHFFFAOYSA-N -1 1 341.367 2.103 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2OC1)c1cnc(C2CC2)[n-]c1=O ZINC000908040480 785041517 /nfs/dbraw/zinc/04/15/17/785041517.db2.gz YLBLBRUYEPZTTM-CYBMUJFWSA-N -1 1 325.368 2.183 20 0 EEADMM COCCC1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCCCC1 ZINC000186074246 785047325 /nfs/dbraw/zinc/04/73/25/785047325.db2.gz 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O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080002983 217270287 /nfs/dbraw/zinc/27/02/87/217270287.db2.gz RCGUIXNRFMWYEH-UHFFFAOYSA-N -1 1 342.370 2.058 20 0 EEADMM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2nncs2)cs1 ZINC000491528489 246060721 /nfs/dbraw/zinc/06/07/21/246060721.db2.gz RRBHULCDCSNHEU-UHFFFAOYSA-N -1 1 341.418 2.272 20 0 EEADMM COc1ccc(Cl)cc1C=CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000492209090 246350000 /nfs/dbraw/zinc/35/00/00/246350000.db2.gz RFFBZOCWAGXCEA-DJFZKKHWSA-N -1 1 347.806 2.281 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c[nH]1 ZINC000266433202 248298721 /nfs/dbraw/zinc/29/87/21/248298721.db2.gz LCBDHSUTHRBDGV-UHFFFAOYSA-N -1 1 338.385 2.389 20 0 EEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174676372 255841737 /nfs/dbraw/zinc/84/17/37/255841737.db2.gz TVCFRZDLOSUETB-UHFFFAOYSA-N -1 1 347.375 2.219 20 0 EEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N2CCCCO2)c1 ZINC000276000003 256394332 /nfs/dbraw/zinc/39/43/32/256394332.db2.gz 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O=C(Nc1nn[n-]n1)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC000294764148 464597401 /nfs/dbraw/zinc/59/74/01/464597401.db2.gz FHNYDVPUMKRJCO-JTQLQIEISA-N -1 1 341.400 2.458 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000272533490 464648930 /nfs/dbraw/zinc/64/89/30/464648930.db2.gz UFGXRLBSLXMKNE-STQMWFEESA-N -1 1 335.448 2.411 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)CN2CCCCC2=O)c1 ZINC000182928112 464759943 /nfs/dbraw/zinc/75/99/43/464759943.db2.gz LNSBKXVANLWJFK-UHFFFAOYSA-N -1 1 341.205 2.414 20 0 EEADMM CCC[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000176764488 464844258 /nfs/dbraw/zinc/84/42/58/464844258.db2.gz OYZHFDSSFKBPOI-LLVKDONJSA-N -1 1 343.309 2.255 20 0 EEADMM CCC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)cc1)c1nn[n-]n1 ZINC000176784931 464850452 /nfs/dbraw/zinc/85/04/52/464850452.db2.gz LWVPEBJRZNSUDW-OAHLLOKOSA-N -1 1 339.403 2.273 20 0 EEADMM CCC[C@@H](NC(=O)c1sccc1Br)c1nn[n-]n1 ZINC000176789309 464851414 /nfs/dbraw/zinc/85/14/14/464851414.db2.gz 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CC(C)c1cccc(N(C)C(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000337945197 465699627 /nfs/dbraw/zinc/69/96/27/465699627.db2.gz WTXBXCSSPHEZSE-UHFFFAOYSA-N -1 1 327.384 2.303 20 0 EEADMM CCO[C@H]1COCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000353272870 465762580 /nfs/dbraw/zinc/76/25/80/465762580.db2.gz MILOAGYXFLBSOI-CABCVRRESA-N -1 1 344.415 2.467 20 0 EEADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1ncccc1[O-] ZINC000357106556 465778574 /nfs/dbraw/zinc/77/85/74/465778574.db2.gz BBWSUXFEJGZCII-UHFFFAOYSA-N -1 1 327.171 2.331 20 0 EEADMM CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3nc[nH]n3)n2)s1 ZINC000338056760 465786577 /nfs/dbraw/zinc/78/65/77/465786577.db2.gz QZDKFIBMZDHOQZ-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM Cc1ccc(-c2ocnc2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000361192805 465825954 /nfs/dbraw/zinc/82/59/54/465825954.db2.gz XOGTWLWJBLNENL-CYBMUJFWSA-N -1 1 338.371 2.183 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c(O)c1 ZINC000357175424 465832016 /nfs/dbraw/zinc/83/20/16/465832016.db2.gz 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NS(=O)(=O)c1ccc([O-])c(NC(=O)CC2CCCCCC2)c1 ZINC000181035547 534702609 /nfs/dbraw/zinc/70/26/09/534702609.db2.gz KUABQTVAKGGELK-UHFFFAOYSA-N -1 1 326.418 2.339 20 0 EEADMM CC1(CO)CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000183705274 527997333 /nfs/dbraw/zinc/99/73/33/527997333.db2.gz QGRCVLYSGDLKJN-UHFFFAOYSA-N -1 1 328.206 2.389 20 0 EEADMM CCC(CC)N(CC(C)C)C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000154968699 528770599 /nfs/dbraw/zinc/77/05/99/528770599.db2.gz PRDLDNUOUYCSPQ-UHFFFAOYSA-N -1 1 330.450 2.475 20 0 EEADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000129817034 529005760 /nfs/dbraw/zinc/00/57/60/529005760.db2.gz VIRYISAZCVXAGP-WCQYABFASA-N -1 1 328.434 2.276 20 0 EEADMM CO[C@@H]([C@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000456596176 536540610 /nfs/dbraw/zinc/54/06/10/536540610.db2.gz NXPJRQAQIYEWKF-HZMBPMFUSA-N -1 1 339.461 2.075 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H](C)SC)c2)n1 ZINC000447676067 535729924 /nfs/dbraw/zinc/72/99/24/535729924.db2.gz PLAXZYVNNPGBPH-JTQLQIEISA-N -1 1 348.428 2.016 20 0 EEADMM CC[C@H]1CO[C@H](C)CN1C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000266328701 536170914 /nfs/dbraw/zinc/17/09/14/536170914.db2.gz VDSUAMOJNHBPSB-RISCZKNCSA-N -1 1 346.431 2.010 20 0 EEADMM O=C(Nc1ccc(Oc2nccnc2-c2nn[n-]n2)cc1)c1ccco1 ZINC000738174507 578002549 /nfs/dbraw/zinc/00/25/49/578002549.db2.gz IUHPMCRMAPTKJG-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223234 578004506 /nfs/dbraw/zinc/00/45/06/578004506.db2.gz VVTXUMRXHOZAPL-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223234 578004507 /nfs/dbraw/zinc/00/45/07/578004507.db2.gz VVTXUMRXHOZAPL-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236878 578005516 /nfs/dbraw/zinc/00/55/16/578005516.db2.gz UBJYWXGMMDWYQQ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236878 578005517 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c1cnc2c(c1)cccc2OCCCNc1nccnc1-c1nn[n-]n1 ZINC000738445981 578015574 /nfs/dbraw/zinc/01/55/74/578015574.db2.gz QHFVJOVNYYPKGT-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM CCC(C)(C)C1CCC(NC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000726871103 576306054 /nfs/dbraw/zinc/30/60/54/576306054.db2.gz IXVMYANHDYPMGF-UHFFFAOYSA-N -1 1 335.448 2.038 20 0 EEADMM NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000733369736 577226647 /nfs/dbraw/zinc/22/66/47/577226647.db2.gz RZCHWMWOCSKHSC-UHFFFAOYSA-N -1 1 344.751 2.084 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCOC(C)C ZINC000733471625 577237894 /nfs/dbraw/zinc/23/78/94/577237894.db2.gz QRMCTWUUMVEMJJ-UHFFFAOYSA-N -1 1 329.418 2.420 20 0 EEADMM Cc1nccc([C@H]2CCCN(CC(=O)[N-]OCc3ccccc3)C2)n1 ZINC000772175450 577255959 /nfs/dbraw/zinc/25/59/59/577255959.db2.gz NVHSDPYJNLHQRW-KRWDZBQOSA-N -1 1 340.427 2.212 20 0 EEADMM COCc1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000773776423 577364218 /nfs/dbraw/zinc/36/42/18/577364218.db2.gz HRUJWUOLZDLJMV-UHFFFAOYSA-N -1 1 328.397 2.094 20 0 EEADMM CC(C)c1ccccc1OCCC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000774006535 577377867 /nfs/dbraw/zinc/37/78/67/577377867.db2.gz YSCKDKMBLPOKPO-ZDUSSCGKSA-N -1 1 331.420 2.354 20 0 EEADMM O=C(CCOc1ccc(F)cc1)OCCC[N-]C(=O)C(F)(F)F ZINC000774920531 577423262 /nfs/dbraw/zinc/42/32/62/577423262.db2.gz VVIFURCUNOZVAB-UHFFFAOYSA-N -1 1 337.269 2.206 20 0 EEADMM O=C(CNc1ccccc1Cl)OCCC[N-]C(=O)C(F)(F)F ZINC000774946742 577424325 /nfs/dbraw/zinc/42/43/25/577424325.db2.gz FTCVPZOSFKGOFI-UHFFFAOYSA-N -1 1 338.713 2.364 20 0 EEADMM Cc1ncc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(C)n1 ZINC000777195043 577474802 /nfs/dbraw/zinc/47/48/02/577474802.db2.gz CPPIHVUMZRLEJH-UHFFFAOYSA-N -1 1 326.308 2.262 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C)c(C)o2)cc1 ZINC000768124285 577550667 /nfs/dbraw/zinc/55/06/67/577550667.db2.gz IZXNBWOJSCOSHL-UHFFFAOYSA-N -1 1 331.324 2.018 20 0 EEADMM CC(C)(C)OC(=O)NCCOCC(=O)Nc1ccc(F)cc1[O-] ZINC000768256866 577552890 /nfs/dbraw/zinc/55/28/90/577552890.db2.gz 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ZINC000762144835 577696071 /nfs/dbraw/zinc/69/60/71/577696071.db2.gz GOYYJUXOHRLKDL-JTQLQIEISA-N -1 1 328.459 2.441 20 0 EEADMM Cc1nc(Cl)ccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000752616288 577773686 /nfs/dbraw/zinc/77/36/86/577773686.db2.gz COKVFCIYFSWRDF-CYBMUJFWSA-N -1 1 328.763 2.076 20 0 EEADMM CCCC(O)(CCC)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000757103522 577856901 /nfs/dbraw/zinc/85/69/01/577856901.db2.gz NLVNHSPCYBNYAP-UHFFFAOYSA-N -1 1 335.400 2.208 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000745018013 577906815 /nfs/dbraw/zinc/90/68/15/577906815.db2.gz WQHMBLAQAWTYSO-MRXNPFEDSA-N -1 1 340.379 2.377 20 0 EEADMM O=C(COC(=O)[C@H]1C[C@@]12CCc1ccccc12)[N-]C(=O)c1ccccc1 ZINC000745722281 577917590 /nfs/dbraw/zinc/91/75/90/577917590.db2.gz VZXFTAFCNYLBFJ-DYESRHJHSA-N -1 1 349.386 2.390 20 0 EEADMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ncn(C)c1Cl)OC ZINC000746702522 577932722 /nfs/dbraw/zinc/93/27/22/577932722.db2.gz QITOJASVTQQRRR-LLVKDONJSA-N -1 1 337.873 2.193 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H](O)c1ccccc1 ZINC000748553516 577963891 /nfs/dbraw/zinc/96/38/91/577963891.db2.gz ZFBZUPMHXDHNEM-CQSZACIVSA-N -1 1 329.400 2.468 20 0 EEADMM COC[C@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000748955572 577969376 /nfs/dbraw/zinc/96/93/76/577969376.db2.gz VSGACHYCWKQPAC-LBPRGKRZSA-N -1 1 326.418 2.113 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc(-c2ccccc2)on1 ZINC000749320298 577974544 /nfs/dbraw/zinc/97/45/44/577974544.db2.gz LCORSZPAQZTZDD-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM Cc1ccc(N2CC[C@H](N3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000738612772 578021227 /nfs/dbraw/zinc/02/12/27/578021227.db2.gz DGTKVGBKNZRYIM-HOTGVXAUSA-N -1 1 328.412 2.287 20 0 EEADMM Cc1cnc(CN(C)[C@H]2CCN(Cc3cc(C(=O)[O-])oc3C)C2)o1 ZINC000738803548 578027362 /nfs/dbraw/zinc/02/73/62/578027362.db2.gz YPXKIISQBAPVIA-AWEZNQCLSA-N -1 1 333.388 2.289 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000738822765 578027937 /nfs/dbraw/zinc/02/79/37/578027937.db2.gz ADEYYCFKFJMACH-LBPRGKRZSA-N -1 1 344.415 2.188 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000739277686 578046598 /nfs/dbraw/zinc/04/65/98/578046598.db2.gz GGJOTPQBPZSJJW-IRXDYDNUSA-N -1 1 342.439 2.367 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000739638949 578061926 /nfs/dbraw/zinc/06/19/26/578061926.db2.gz HUVWYDNFEISYNO-GDBMZVCRSA-N -1 1 334.391 2.428 20 0 EEADMM COC(=O)CCCc1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000739667721 578063557 /nfs/dbraw/zinc/06/35/57/578063557.db2.gz SPOFXJIBLJTLHZ-UHFFFAOYSA-N -1 1 338.389 2.398 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736137459 578182813 /nfs/dbraw/zinc/18/28/13/578182813.db2.gz MRPHDAHQPGNJOM-SSDOTTSWSA-N -1 1 341.766 2.360 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCCc2sccc2C1 ZINC000736206153 578187215 /nfs/dbraw/zinc/18/72/15/578187215.db2.gz TWMNPVGPQUXJFR-GFCCVEGCSA-N -1 1 336.457 2.208 20 0 EEADMM CSCC[C@@H](C)NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000736259459 578191448 /nfs/dbraw/zinc/19/14/48/578191448.db2.gz HOMNXEDUURTJCK-LLVKDONJSA-N -1 1 346.456 2.353 20 0 EEADMM CC(C)[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000736353453 578197955 /nfs/dbraw/zinc/19/79/55/578197955.db2.gz ODTOREYBIDEMCR-SJORKVTESA-N -1 1 332.444 2.339 20 0 EEADMM C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000736595906 578213596 /nfs/dbraw/zinc/21/35/96/578213596.db2.gz NTDZLMJLNXSWET-DJIMGWMZSA-N -1 1 344.455 2.440 20 0 EEADMM CC[C@@](C)(NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000736864274 578227444 /nfs/dbraw/zinc/22/74/44/578227444.db2.gz SRIQGHSCMSQGTG-GOSISDBHSA-N -1 1 344.415 2.271 20 0 EEADMM CCCN(CCC(=O)NCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000737020757 578233426 /nfs/dbraw/zinc/23/34/26/578233426.db2.gz YUVRRPHAINJYTK-UHFFFAOYSA-N -1 1 330.787 2.282 20 0 EEADMM CSC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737177606 578242291 /nfs/dbraw/zinc/24/22/91/578242291.db2.gz UKRUEIHQYBICTF-VIFPVBQESA-N -1 1 346.416 2.040 20 0 EEADMM CSC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737177606 578242292 /nfs/dbraw/zinc/24/22/92/578242292.db2.gz UKRUEIHQYBICTF-VIFPVBQESA-N -1 1 346.416 2.040 20 0 EEADMM CCc1[nH]c(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c(C)c1C(=O)[O-] ZINC000737241131 578245597 /nfs/dbraw/zinc/24/55/97/578245597.db2.gz JZMOYRRUCNDNKH-YPMHNXCESA-N -1 1 333.432 2.283 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737334417 578250997 /nfs/dbraw/zinc/25/09/97/578250997.db2.gz HHVXBUJQGOFDFH-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737334417 578250998 /nfs/dbraw/zinc/25/09/98/578250998.db2.gz HHVXBUJQGOFDFH-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1nc(C)c(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)s1 ZINC000737473870 578259997 /nfs/dbraw/zinc/25/99/97/578259997.db2.gz MKOUMJIMIJKMCX-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1C[C@@H]1C ZINC000737546200 578263267 /nfs/dbraw/zinc/26/32/67/578263267.db2.gz AJOWAPUXMBHVMN-GXSJLCMTSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1C[C@@H]1C ZINC000737546200 578263268 /nfs/dbraw/zinc/26/32/68/578263268.db2.gz AJOWAPUXMBHVMN-GXSJLCMTSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822366832 607256054 /nfs/dbraw/zinc/25/60/54/607256054.db2.gz VBIKJVZYTNKDSS-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822240931 607256240 /nfs/dbraw/zinc/25/62/40/607256240.db2.gz FGSKWHOVSZNUCO-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM CC(C)Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000820107714 599084685 /nfs/dbraw/zinc/08/46/85/599084685.db2.gz AICALQUUMZEFGA-UHFFFAOYSA-N -1 1 335.375 2.406 20 0 EEADMM CC(C)Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000820107714 599084687 /nfs/dbraw/zinc/08/46/87/599084687.db2.gz 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EEADMM Cc1cc2c[nH]nc2c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC000832860448 601510358 /nfs/dbraw/zinc/51/03/58/601510358.db2.gz ZZZNXDHPAKMSFZ-UHFFFAOYSA-N -1 1 338.367 2.383 20 0 EEADMM COCCn1c(C)cc(C(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1C ZINC000831800718 601594099 /nfs/dbraw/zinc/59/40/99/601594099.db2.gz RNLMNVJUSZZMEV-OAHLLOKOSA-N -1 1 336.432 2.263 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000828029381 601914089 /nfs/dbraw/zinc/91/40/89/601914089.db2.gz ZKLIUOVEEKWPKC-QGZVFWFLSA-N -1 1 346.456 2.449 20 0 EEADMM CCO[C@H](C)c1noc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825577249 607535776 /nfs/dbraw/zinc/53/57/76/607535776.db2.gz UOYIGRBQZMSXMX-SECBINFHSA-N -1 1 347.404 2.176 20 0 EEADMM CCO[C@H](C)c1noc(CSCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825577249 607535778 /nfs/dbraw/zinc/53/57/78/607535778.db2.gz UOYIGRBQZMSXMX-SECBINFHSA-N -1 1 347.404 2.176 20 0 EEADMM CCCNC(=O)c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825332554 607548526 /nfs/dbraw/zinc/54/85/26/607548526.db2.gz HVMACWJZWPTBBM-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM CCCNC(=O)c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825332554 607548528 /nfs/dbraw/zinc/54/85/28/607548528.db2.gz HVMACWJZWPTBBM-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM CNc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000826098320 608171922 /nfs/dbraw/zinc/17/19/22/608171922.db2.gz AHXOGLJNNYFXEN-UHFFFAOYSA-N -1 1 332.827 2.021 20 0 EEADMM CNc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000826098320 608171923 /nfs/dbraw/zinc/17/19/23/608171923.db2.gz AHXOGLJNNYFXEN-UHFFFAOYSA-N -1 1 332.827 2.021 20 0 EEADMM O=C([O-])CNC(=O)CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000833250254 604453762 /nfs/dbraw/zinc/45/37/62/604453762.db2.gz CPVPDOGURWTFIM-CQSZACIVSA-N -1 1 326.343 2.083 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC000833658771 604603585 /nfs/dbraw/zinc/60/35/85/604603585.db2.gz VGSUHCUKWFWFPL-KBPBESRZSA-N -1 1 333.432 2.051 20 0 EEADMM CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C(=O)[O-])cc1F)CC2 ZINC000833661168 604759455 /nfs/dbraw/zinc/75/94/55/604759455.db2.gz SVVLWDMWODRTJW-CVEARBPZSA-N -1 1 337.391 2.276 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000828580392 604790819 /nfs/dbraw/zinc/79/08/19/604790819.db2.gz IFBVUSUCKKFVAP-UHFFFAOYSA-N -1 1 336.369 2.117 20 0 EEADMM Cc1ccc(F)c(NC(=S)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833749850 605037929 /nfs/dbraw/zinc/03/79/29/605037929.db2.gz XNOLMWWIOQKSFN-GFCCVEGCSA-N -1 1 339.436 2.312 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/Sc1ccccc1 ZINC000833618347 605105351 /nfs/dbraw/zinc/10/53/51/605105351.db2.gz AUQYKEZYCHUDLC-CEFACKQISA-N -1 1 334.441 2.300 20 0 EEADMM COc1cccc(CN(CC(C)C)CN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000833735545 605171877 /nfs/dbraw/zinc/17/18/77/605171877.db2.gz MUIQLEFKCLHNNV-HNNXBMFYSA-N -1 1 334.416 2.044 20 0 EEADMM C[C@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833625397 605173377 /nfs/dbraw/zinc/17/33/77/605173377.db2.gz WPOGWTSXRWYGJT-GJZGRUSLSA-N -1 1 347.459 2.402 20 0 EEADMM CC(C)[C@H](C(=O)OCCOc1ccccc1C(=O)[O-])N1CCCC1 ZINC000833464925 605188838 /nfs/dbraw/zinc/18/88/38/605188838.db2.gz DOOCFPKQAXELGW-MRXNPFEDSA-N -1 1 335.400 2.427 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)O1 ZINC000833585735 605324968 /nfs/dbraw/zinc/32/49/68/605324968.db2.gz UPUYEZLERNDKFZ-OLZOCXBDSA-N -1 1 340.420 2.123 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)c2cccc(NC(=O)[O-])c2)[nH]n1 ZINC000831031190 605337953 /nfs/dbraw/zinc/33/79/53/605337953.db2.gz LKVQETPCVBOSMN-UHFFFAOYSA-N -1 1 326.316 2.152 20 0 EEADMM C/C(=C\c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833382822 605469985 /nfs/dbraw/zinc/46/99/85/605469985.db2.gz HAWYLMASPAKVAA-STTHAQSSSA-N -1 1 330.428 2.406 20 0 EEADMM CCC1CCC(N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820972546 606166408 /nfs/dbraw/zinc/16/64/08/606166408.db2.gz OWUXGSODERKYFS-UHFFFAOYSA-N -1 1 332.412 2.033 20 0 EEADMM CCC1CCC(N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820972546 606166410 /nfs/dbraw/zinc/16/64/10/606166410.db2.gz OWUXGSODERKYFS-UHFFFAOYSA-N -1 1 332.412 2.033 20 0 EEADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820697782 606195668 /nfs/dbraw/zinc/19/56/68/606195668.db2.gz MDOAFKZRDGVECM-CMPLNLGQSA-N -1 1 331.376 2.106 20 0 EEADMM O=C(Cc1cc(F)ccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823073942 606297015 /nfs/dbraw/zinc/29/70/15/606297015.db2.gz FSZPZJKRGVVEQB-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821795244 606495570 /nfs/dbraw/zinc/49/55/70/606495570.db2.gz WTSCBEPLPGHURB-UHFFFAOYSA-N -1 1 347.375 2.348 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821795244 606495572 /nfs/dbraw/zinc/49/55/72/606495572.db2.gz WTSCBEPLPGHURB-UHFFFAOYSA-N -1 1 347.375 2.348 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821669324 606498511 /nfs/dbraw/zinc/49/85/11/606498511.db2.gz GQVWIHTYSGVBSL-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000821669324 606498513 /nfs/dbraw/zinc/49/85/13/606498513.db2.gz GQVWIHTYSGVBSL-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM CCOCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821384170 606507012 /nfs/dbraw/zinc/50/70/12/606507012.db2.gz RVPONOGKUIKTKL-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM CCOCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821384170 606507013 /nfs/dbraw/zinc/50/70/13/606507013.db2.gz RVPONOGKUIKTKL-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM O=C(NCCc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823218951 606516071 /nfs/dbraw/zinc/51/60/71/606516071.db2.gz CGRUPGAIXWFOIX-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823218951 606516072 /nfs/dbraw/zinc/51/60/72/606516072.db2.gz CGRUPGAIXWFOIX-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1cccnc1)C1CC1 ZINC000823483727 606523965 /nfs/dbraw/zinc/52/39/65/606523965.db2.gz LEQKZZBMUHJXAA-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1cccnc1)C1CC1 ZINC000823483727 606523967 /nfs/dbraw/zinc/52/39/67/606523967.db2.gz LEQKZZBMUHJXAA-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM CC(C)(C)c1nnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000819971891 606528837 /nfs/dbraw/zinc/52/88/37/606528837.db2.gz WDBPESDTJGKNLZ-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c21 ZINC000822333138 606651253 /nfs/dbraw/zinc/65/12/53/606651253.db2.gz YBROHHANHNQEIC-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c21 ZINC000822333138 606651254 /nfs/dbraw/zinc/65/12/54/606651254.db2.gz YBROHHANHNQEIC-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820293241 606651825 /nfs/dbraw/zinc/65/18/25/606651825.db2.gz JNEVOABVEXBFMY-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820293241 606651826 /nfs/dbraw/zinc/65/18/26/606651826.db2.gz JNEVOABVEXBFMY-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM O=C(COc1ccc(Cl)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823041334 606653824 /nfs/dbraw/zinc/65/38/24/606653824.db2.gz ZFYZBCSZZLCUMP-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(COc1ccc(Cl)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823041334 606653825 /nfs/dbraw/zinc/65/38/25/606653825.db2.gz ZFYZBCSZZLCUMP-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(OC[C@H]1Cc2ccccc2O1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400869 606762185 /nfs/dbraw/zinc/76/21/85/606762185.db2.gz KVQNOGCSWSIPHO-SNVBAGLBSA-N -1 1 328.353 2.089 20 0 EEADMM O=C(OC[C@H]1Cc2ccccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400869 606762187 /nfs/dbraw/zinc/76/21/87/606762187.db2.gz KVQNOGCSWSIPHO-SNVBAGLBSA-N -1 1 328.353 2.089 20 0 EEADMM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820072085 606771434 /nfs/dbraw/zinc/77/14/34/606771434.db2.gz BBFXNZPIKSDPTO-LBPRGKRZSA-N -1 1 346.439 2.423 20 0 EEADMM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820072085 606771435 /nfs/dbraw/zinc/77/14/35/606771435.db2.gz BBFXNZPIKSDPTO-LBPRGKRZSA-N -1 1 346.439 2.423 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820234582 606823242 /nfs/dbraw/zinc/82/32/42/606823242.db2.gz OMEIDALFGZECHM-CMPLNLGQSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820234582 606823244 /nfs/dbraw/zinc/82/32/44/606823244.db2.gz OMEIDALFGZECHM-CMPLNLGQSA-N -1 1 343.412 2.170 20 0 EEADMM CC1(C)C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824788921 607821385 /nfs/dbraw/zinc/82/13/85/607821385.db2.gz DNVBJWCYNFWYHS-SNVBAGLBSA-N -1 1 325.376 2.179 20 0 EEADMM CC1(C)C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824788921 607821386 /nfs/dbraw/zinc/82/13/86/607821386.db2.gz DNVBJWCYNFWYHS-SNVBAGLBSA-N -1 1 325.376 2.179 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825716946 607906335 /nfs/dbraw/zinc/90/63/35/607906335.db2.gz FARKTYJXUDJJMD-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825716946 607906336 /nfs/dbraw/zinc/90/63/36/607906336.db2.gz FARKTYJXUDJJMD-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826403580 607960301 /nfs/dbraw/zinc/96/03/01/607960301.db2.gz WJNIROMATMNZEM-UPHRSURJSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826403580 607960302 /nfs/dbraw/zinc/96/03/02/607960302.db2.gz WJNIROMATMNZEM-UPHRSURJSA-N -1 1 342.746 2.067 20 0 EEADMM CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892074 608500305 /nfs/dbraw/zinc/50/03/05/608500305.db2.gz DTIRFNYUKRUTBG-UHFFFAOYSA-N -1 1 346.778 2.184 20 0 EEADMM CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892074 608500306 /nfs/dbraw/zinc/50/03/06/608500306.db2.gz DTIRFNYUKRUTBG-UHFFFAOYSA-N -1 1 346.778 2.184 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(c2cccnc2)CC1 ZINC000826472693 608549204 /nfs/dbraw/zinc/54/92/04/608549204.db2.gz UFWMGMPQQIBRNE-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(c2cccnc2)CC1 ZINC000826472693 608549205 /nfs/dbraw/zinc/54/92/05/608549205.db2.gz UFWMGMPQQIBRNE-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000826515423 608618511 /nfs/dbraw/zinc/61/85/11/608618511.db2.gz YHAZLNWTAVZMQH-LBPRGKRZSA-N -1 1 341.375 2.447 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000826515423 608618512 /nfs/dbraw/zinc/61/85/12/608618512.db2.gz YHAZLNWTAVZMQH-LBPRGKRZSA-N -1 1 341.375 2.447 20 0 EEADMM CCc1ccc([C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000825703987 608708712 /nfs/dbraw/zinc/70/87/12/608708712.db2.gz AUJKNWDZBSSAQZ-CYBMUJFWSA-N -1 1 329.360 2.189 20 0 EEADMM CCc1ccc([C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000825703987 608708713 /nfs/dbraw/zinc/70/87/13/608708713.db2.gz AUJKNWDZBSSAQZ-CYBMUJFWSA-N -1 1 329.360 2.189 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccsc2)O1 ZINC000824984895 608734054 /nfs/dbraw/zinc/73/40/54/608734054.db2.gz OXDKTZVWGQBOLR-YGRLFVJLSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000824984895 608734056 /nfs/dbraw/zinc/73/40/56/608734056.db2.gz OXDKTZVWGQBOLR-YGRLFVJLSA-N -1 1 331.401 2.483 20 0 EEADMM CCC[C@H]1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825254449 609161715 /nfs/dbraw/zinc/16/17/15/609161715.db2.gz RQJAKRGQAKMOEC-NEPJUHHUSA-N -1 1 331.376 2.106 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826459336 609337481 /nfs/dbraw/zinc/33/74/81/609337481.db2.gz GCVGGHIYFVTNSI-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826459336 609337482 /nfs/dbraw/zinc/33/74/82/609337482.db2.gz GCVGGHIYFVTNSI-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM CSc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1C ZINC000826230593 609469911 /nfs/dbraw/zinc/46/99/11/609469911.db2.gz ANICESLLLVSYDL-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM CSc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1C ZINC000826230593 609469912 /nfs/dbraw/zinc/46/99/12/609469912.db2.gz ANICESLLLVSYDL-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cc(F)cc(F)c2)C1 ZINC000969546820 675095555 /nfs/dbraw/zinc/09/55/55/675095555.db2.gz SMNSJNIIUONYQW-LLVKDONJSA-N -1 1 347.365 2.316 20 0 EEADMM O=C(CCC1CCC1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001021327792 675977571 /nfs/dbraw/zinc/97/75/71/675977571.db2.gz FGEOTGDYKOBWTO-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1cccc(F)c1F)c1ncccc1[O-] ZINC001038194181 676081896 /nfs/dbraw/zinc/08/18/96/676081896.db2.gz OBBUTPSJHBJFHO-LBPRGKRZSA-N -1 1 333.338 2.070 20 0 EEADMM O=C(NCCCOc1cccc(F)c1)c1cnc(C2CC2)[n-]c1=O ZINC000891238909 676228067 /nfs/dbraw/zinc/22/80/67/676228067.db2.gz VPUHVEOHLKGHJQ-UHFFFAOYSA-N -1 1 331.347 2.398 20 0 EEADMM CC(C)CC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020677954 675395642 /nfs/dbraw/zinc/39/56/42/675395642.db2.gz VJVRUOZMVUJZEN-UONOGXRCSA-N -1 1 333.432 2.048 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3sc(N)nc3[O-])C2)cc1 ZINC000079835482 675447057 /nfs/dbraw/zinc/44/70/57/675447057.db2.gz ZDVXOUOUPHQJQV-GJZGRUSLSA-N -1 1 345.468 2.123 20 0 EEADMM COC(=O)C(C)(C)[C@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000093279359 675581375 /nfs/dbraw/zinc/58/13/75/675581375.db2.gz OWESMQZIGAXYRQ-INIZCTEOSA-N -1 1 348.443 2.146 20 0 EEADMM CC(C)[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970165059 675607969 /nfs/dbraw/zinc/60/79/69/675607969.db2.gz OSEDYGSWFTXJBV-HUUCEWRRSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1nsc(C)c1CN(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971395365 676521132 /nfs/dbraw/zinc/52/11/32/676521132.db2.gz UUYIALATIMHZBO-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011036591 676645278 /nfs/dbraw/zinc/64/52/78/676645278.db2.gz PTJAUJBKZQXWQK-UHFFFAOYSA-N -1 1 345.443 2.144 20 0 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349.479 2.150 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)N2CCC(CN(C)Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001029986981 688892355 /nfs/dbraw/zinc/89/23/55/688892355.db2.gz PDQUCMLRTRBXBQ-ZFWWWQNUSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000986839949 688996028 /nfs/dbraw/zinc/99/60/28/688996028.db2.gz DEENBJNYTYZPJT-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CC=CC1 ZINC000987000829 689205079 /nfs/dbraw/zinc/20/50/79/689205079.db2.gz DDARIJBRABSEHM-HNNXBMFYSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)o1 ZINC000987537227 689815035 /nfs/dbraw/zinc/81/50/35/689815035.db2.gz FKEUXTBJROXNGT-OLZOCXBDSA-N -1 1 343.383 2.030 20 0 EEADMM CC(C)Oc1ccc(N(C)C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000904217502 694329322 /nfs/dbraw/zinc/32/93/22/694329322.db2.gz JALIRXXFSSLIED-AWEZNQCLSA-N -1 1 334.416 2.233 20 0 EEADMM CN(C[C@H]1CCN(C(=O)CC(C)(C)C)C1)C(=O)c1ncccc1[O-] 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Cc1ccc2c(c1)CN(C(=O)c1c(C)[nH]c(=O)[n-]c1=S)CCO2 ZINC001263825111 1322529312 /nfs/dbraw/zinc/52/93/12/1322529312.db2.gz QYJPCSSGGOVJMN-UHFFFAOYSA-N -1 1 331.397 2.123 20 0 EEADMM CN(C)c1nc(Nc2cncc(N3CCCC3)c2)c(N=O)c(=O)[n-]1 ZINC001210607988 1325351908 /nfs/dbraw/zinc/35/19/08/1325351908.db2.gz CCJDYOFUZOOPES-UHFFFAOYSA-N -1 1 329.364 2.385 20 0 EEADMM Nc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)nc2)ccc1O ZINC001210821129 1325450738 /nfs/dbraw/zinc/45/07/38/1325450738.db2.gz GAOZWTQUYWCGKY-UHFFFAOYSA-N -1 1 349.290 2.069 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001590213120 1349202761 /nfs/dbraw/zinc/20/27/61/1349202761.db2.gz BNSDXSUJQJDBIQ-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001590213120 1349202769 /nfs/dbraw/zinc/20/27/69/1349202769.db2.gz BNSDXSUJQJDBIQ-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM Cc1c(O)ccc2c(C[N@@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])cc(=O)oc12 ZINC001600057433 1349963281 /nfs/dbraw/zinc/96/32/81/1349963281.db2.gz YDVPZPJILPZRIP-QMTHXVAHSA-N -1 1 331.368 2.492 20 0 EEADMM Nc1c(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cccc1C(=O)[O-] ZINC001601209225 1350231660 /nfs/dbraw/zinc/23/16/60/1350231660.db2.gz NHUPJDGPAYFHNH-UHFFFAOYSA-N -1 1 349.343 2.388 20 0 EEADMM O=C([O-])c1cc(-c2csc(NC(=O)CCc3cnc[nH]3)n2)c[nH]1 ZINC001601286783 1350249446 /nfs/dbraw/zinc/24/94/46/1350249446.db2.gz PEYDGHOOOXYHQN-UHFFFAOYSA-N -1 1 331.357 2.131 20 0 EEADMM O=C([O-])[C@@H](NCc1noc(-c2c(F)cccc2Cl)n1)C1CC1 ZINC001601680037 1350335972 /nfs/dbraw/zinc/33/59/72/1350335972.db2.gz WLMFBQYKOJEITR-LBPRGKRZSA-N -1 1 325.727 2.482 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC2CC3(CC3(F)F)C2)oc1Cl ZINC001602294775 1350487221 /nfs/dbraw/zinc/48/72/21/1350487221.db2.gz NKKWVAQWLUZMBK-UHFFFAOYSA-N -1 1 341.719 2.097 20 0 EEADMM O=C([O-])c1ccc(Br)cc1CN1C[C@H](O)C2(CC2)C1 ZINC001602314435 1350491447 /nfs/dbraw/zinc/49/14/47/1350491447.db2.gz HNLOLJQWLADVAI-LBPRGKRZSA-N -1 1 326.190 2.104 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)c2ccccc12 ZINC001602373965 1350506279 /nfs/dbraw/zinc/50/62/79/1350506279.db2.gz XQTGPNJHDKZEIQ-ZDUSSCGKSA-N -1 1 340.379 2.197 20 0 EEADMM c1ccc2c(c1)C=C[C@]1(CCCN(c3nccnc3-c3nnn[n-]3)C1)O2 ZINC001602746055 1350579979 /nfs/dbraw/zinc/57/99/79/1350579979.db2.gz FCPBKJCLXJUMKW-SFHVURJKSA-N -1 1 347.382 2.102 20 0 EEADMM c1ccc2c(c1)C=C[C@]1(CCCN(c3nccnc3-c3nn[n-]n3)C1)O2 ZINC001602746055 1350579983 /nfs/dbraw/zinc/57/99/83/1350579983.db2.gz FCPBKJCLXJUMKW-SFHVURJKSA-N -1 1 347.382 2.102 20 0 EEADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC2CCC1CC2 ZINC001603644446 1350733446 /nfs/dbraw/zinc/73/34/46/1350733446.db2.gz VLYDFYSIARSRRX-BBCYWQGDSA-N -1 1 326.404 2.206 20 0 EEADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC2CCC1CC2 ZINC001603644446 1350733448 /nfs/dbraw/zinc/73/34/48/1350733448.db2.gz VLYDFYSIARSRRX-BBCYWQGDSA-N -1 1 326.404 2.206 20 0 EEADMM COc1ccc(F)cc1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605290485 1351126940 /nfs/dbraw/zinc/12/69/40/1351126940.db2.gz ATHGTQVCUNGXDL-VIFPVBQESA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc(F)cc1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605290485 1351126943 /nfs/dbraw/zinc/12/69/43/1351126943.db2.gz ATHGTQVCUNGXDL-VIFPVBQESA-N -1 1 329.339 2.286 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001608037669 1351611877 /nfs/dbraw/zinc/61/18/77/1351611877.db2.gz PFEBEBNMOZYGRX-CTYIDZIISA-N -1 1 349.408 2.381 20 0 EEADMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(OC)ns2)C1(C)C ZINC001309274160 1331624516 /nfs/dbraw/zinc/62/45/16/1331624516.db2.gz GJGFQRWHLROLFG-GHMZBOCLSA-N -1 1 348.490 2.414 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CN2CCc3c(cnn3-c3ccccc3)C2)C1(F)F ZINC001608599255 1351723453 /nfs/dbraw/zinc/72/34/53/1351723453.db2.gz RRDSLDIUSTWJEZ-UKRRQHHQSA-N -1 1 333.338 2.196 20 0 EEADMM O=S(=O)([N-]CC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)nc1F ZINC001309910914 1331647773 /nfs/dbraw/zinc/64/77/73/1331647773.db2.gz WCYYZLFEPUQUGB-UWVGGRQHSA-N -1 1 336.816 2.094 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cccc2c[nH]nc21 ZINC001608656438 1351734964 /nfs/dbraw/zinc/73/49/64/1351734964.db2.gz UWUYDUNYCNIKMA-MRXNPFEDSA-N -1 1 337.335 2.223 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@@H](c2ccccc2F)CC1=O ZINC001608694617 1351743412 /nfs/dbraw/zinc/74/34/12/1351743412.db2.gz MQFVYXGUANZXJT-UONOGXRCSA-N -1 1 334.391 2.428 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001608717580 1351748276 /nfs/dbraw/zinc/74/82/76/1351748276.db2.gz HLJMPTAPALDMGK-LBPRGKRZSA-N -1 1 343.383 2.397 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCCN(Cc3nccc4c3CCCC4)C2)nn1 ZINC001608959165 1351803151 /nfs/dbraw/zinc/80/31/51/1351803151.db2.gz MYLSMCHHFACECZ-CQSZACIVSA-N -1 1 341.415 2.087 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2C)c1 ZINC001320115296 1332831290 /nfs/dbraw/zinc/83/12/90/1332831290.db2.gz ARWLIPRQTOKMQR-UHFFFAOYSA-N -1 1 343.408 2.378 20 0 EEADMM O=C([O-])c1coc(/C=C\C(=O)N2CCN[C@@H](Cc3ccccc3)C2)c1 ZINC001608987920 1351808901 /nfs/dbraw/zinc/80/89/01/1351808901.db2.gz ZKQCEWFOSPRQMW-WLMCBFPDSA-N -1 1 340.379 2.034 20 0 EEADMM COCc1ncc(C(=O)[N-]c2nnc(-c3ccncc3)s2)s1 ZINC001321905908 1333176985 /nfs/dbraw/zinc/17/69/85/1333176985.db2.gz VSJRHAVXJIRWEA-UHFFFAOYSA-N -1 1 333.398 2.455 20 0 EEADMM CC(C)N(Cc1ccccc1F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609099219 1351842531 /nfs/dbraw/zinc/84/25/31/1351842531.db2.gz OBNIBFHXENJZOH-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM CC(C)N(Cc1ccccc1F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609099219 1351842535 /nfs/dbraw/zinc/84/25/35/1351842535.db2.gz OBNIBFHXENJZOH-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM CC(C)N(C)c1cccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609098204 1351842633 /nfs/dbraw/zinc/84/26/33/1351842633.db2.gz XCXAIZAQDRJPDS-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC(C)N(C)c1cccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609098204 1351842634 /nfs/dbraw/zinc/84/26/34/1351842634.db2.gz XCXAIZAQDRJPDS-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC1(C)CCc2sc(NC(=O)c3cccc(-c4nnn[n-]4)n3)nc21 ZINC001609145994 1351861564 /nfs/dbraw/zinc/86/15/64/1351861564.db2.gz NJSJJSICSVLIOD-UHFFFAOYSA-N -1 1 341.400 2.194 20 0 EEADMM CC1(C)CCc2sc(NC(=O)c3cccc(-c4nn[n-]n4)n3)nc21 ZINC001609145994 1351861568 /nfs/dbraw/zinc/86/15/68/1351861568.db2.gz NJSJJSICSVLIOD-UHFFFAOYSA-N -1 1 341.400 2.194 20 0 EEADMM Cc1nc([C@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)no1 ZINC001324858988 1333775099 /nfs/dbraw/zinc/77/50/99/1333775099.db2.gz KIRXWAUCQXHVPL-YFKPBYRVSA-N -1 1 337.188 2.119 20 0 EEADMM C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001609166895 1351873209 /nfs/dbraw/zinc/87/32/09/1351873209.db2.gz XBDCIOXWSPDHNO-RISCZKNCSA-N -1 1 347.419 2.402 20 0 EEADMM C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1C(=O)OC(C)(C)C ZINC001609166895 1351873214 /nfs/dbraw/zinc/87/32/14/1351873214.db2.gz XBDCIOXWSPDHNO-RISCZKNCSA-N -1 1 347.419 2.402 20 0 EEADMM CCCCC[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609209114 1351892553 /nfs/dbraw/zinc/89/25/53/1351892553.db2.gz MJBYROPEHKZPDN-RYUDHWBXSA-N -1 1 348.455 2.130 20 0 EEADMM CCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609206905 1351891654 /nfs/dbraw/zinc/89/16/54/1351891654.db2.gz OFHUOVWQCQGTBH-SNVBAGLBSA-N -1 1 341.462 2.272 20 0 EEADMM CCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609206905 1351891659 /nfs/dbraw/zinc/89/16/59/1351891659.db2.gz OFHUOVWQCQGTBH-SNVBAGLBSA-N -1 1 341.462 2.272 20 0 EEADMM CCCCOc1ncccc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609211353 1351893462 /nfs/dbraw/zinc/89/34/62/1351893462.db2.gz YIXVIZCXPYPJRL-UHFFFAOYSA-N -1 1 340.391 2.151 20 0 EEADMM CCCCOc1ncccc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609211353 1351893463 /nfs/dbraw/zinc/89/34/63/1351893463.db2.gz YIXVIZCXPYPJRL-UHFFFAOYSA-N -1 1 340.391 2.151 20 0 EEADMM CCCOc1cccc(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609216351 1351897680 /nfs/dbraw/zinc/89/76/80/1351897680.db2.gz BKYZCAAPNDSEEW-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM CCCOc1cccc(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609216351 1351897686 /nfs/dbraw/zinc/89/76/86/1351897686.db2.gz BKYZCAAPNDSEEW-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C2CC2)cc1 ZINC001609352732 1351942928 /nfs/dbraw/zinc/94/29/28/1351942928.db2.gz OLEMKDNVJOZBKH-HNNXBMFYSA-N -1 1 339.355 2.349 20 0 EEADMM COc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C2CC2)cc1 ZINC001609352732 1351942929 /nfs/dbraw/zinc/94/29/29/1351942929.db2.gz OLEMKDNVJOZBKH-HNNXBMFYSA-N -1 1 339.355 2.349 20 0 EEADMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001330373239 1334831381 /nfs/dbraw/zinc/83/13/81/1334831381.db2.gz UJAWUABXWBTGRM-JTQLQIEISA-N -1 1 338.832 2.197 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CSc3ccccc32)n1 ZINC001609392176 1351957778 /nfs/dbraw/zinc/95/77/78/1351957778.db2.gz IIUYLDOURWOGMG-SNVBAGLBSA-N -1 1 325.401 2.267 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CSc3ccccc32)n1 ZINC001609392176 1351957780 /nfs/dbraw/zinc/95/77/80/1351957780.db2.gz IIUYLDOURWOGMG-SNVBAGLBSA-N -1 1 325.401 2.267 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H](O)C(C)C ZINC001609403233 1351962379 /nfs/dbraw/zinc/96/23/79/1351962379.db2.gz UYROXPPDVRPELO-CYBMUJFWSA-N -1 1 347.806 2.160 20 0 EEADMM Cc1ccc(F)cc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609424750 1351971458 /nfs/dbraw/zinc/97/14/58/1351971458.db2.gz GSKBKCICEQCCPI-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)nc1 ZINC001609423451 1351970772 /nfs/dbraw/zinc/97/07/72/1351970772.db2.gz RDKCRRHSVUJCIQ-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM Cc1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)nc1 ZINC001609423451 1351970774 /nfs/dbraw/zinc/97/07/74/1351970774.db2.gz RDKCRRHSVUJCIQ-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609457859 1351985401 /nfs/dbraw/zinc/98/54/01/1351985401.db2.gz CCYLIOBFHVAOKS-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609457859 1351985405 /nfs/dbraw/zinc/98/54/05/1351985405.db2.gz CCYLIOBFHVAOKS-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM Fc1ccc(OCc2nc(-c3ccsc3)no2)c(-c2nnn[n-]2)n1 ZINC001609491336 1351997120 /nfs/dbraw/zinc/99/71/20/1351997120.db2.gz YDHFGUBLFWNVFN-UHFFFAOYSA-N -1 1 345.319 2.091 20 0 EEADMM Fc1ccc(OCc2nc(-c3ccsc3)no2)c(-c2nn[n-]n2)n1 ZINC001609491336 1351997121 /nfs/dbraw/zinc/99/71/21/1351997121.db2.gz YDHFGUBLFWNVFN-UHFFFAOYSA-N -1 1 345.319 2.091 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCOCC2(CCCC2)C1 ZINC001609582740 1352025985 /nfs/dbraw/zinc/02/59/85/1352025985.db2.gz DVMFUYRNMUUQFH-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCOCC2(CCCC2)C1 ZINC001609582740 1352025988 /nfs/dbraw/zinc/02/59/88/1352025988.db2.gz DVMFUYRNMUUQFH-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(OCc1ccc2c(c1)COC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001609576887 1352023197 /nfs/dbraw/zinc/02/31/97/1352023197.db2.gz DHFRWWQRVBSOOF-UHFFFAOYSA-N -1 1 340.314 2.393 20 0 EEADMM O=C(OCc1ccc2c(c1)COC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001609576887 1352023202 /nfs/dbraw/zinc/02/32/02/1352023202.db2.gz DHFRWWQRVBSOOF-UHFFFAOYSA-N -1 1 340.314 2.393 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC001609588209 1352027989 /nfs/dbraw/zinc/02/79/89/1352027989.db2.gz YBUPSEPATTZUCC-VIFPVBQESA-N -1 1 335.323 2.180 20 0 EEADMM CC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1C ZINC001609629628 1352045671 /nfs/dbraw/zinc/04/56/71/1352045671.db2.gz ZEMIBCQMSSEXGK-UHFFFAOYSA-N -1 1 348.380 2.400 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC001609664965 1352053547 /nfs/dbraw/zinc/05/35/47/1352053547.db2.gz NFSQRDSWZNXQAL-NXEZZACHSA-N -1 1 340.342 2.239 20 0 EEADMM C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCN1C ZINC001609839700 1352098281 /nfs/dbraw/zinc/09/82/81/1352098281.db2.gz WDJDSQILEFYPDE-BDAKNGLRSA-N -1 1 327.331 2.219 20 0 EEADMM O=c1[nH][n-]cc1-c1nnc(N2CC=CCC2)n1CCc1ccccc1 ZINC001340941139 1337268084 /nfs/dbraw/zinc/26/80/84/1337268084.db2.gz QFTRPDUKFQBSOR-UHFFFAOYSA-N -1 1 336.399 2.383 20 0 EEADMM CCN1C[C@H](C)N(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)C[C@H]1C ZINC001610005041 1352138827 /nfs/dbraw/zinc/13/88/27/1352138827.db2.gz XDQJCJORCNVZDJ-OLZOCXBDSA-N -1 1 343.427 2.463 20 0 EEADMM CCc1oc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1C(=O)[O-] ZINC001610079081 1352157406 /nfs/dbraw/zinc/15/74/06/1352157406.db2.gz HJSCECKUCXUUNG-ZDUSSCGKSA-N -1 1 325.328 2.387 20 0 EEADMM CCc1oc(CNCCNC(=O)c2cccc(OC)c2)cc1C(=O)[O-] ZINC001610081994 1352157716 /nfs/dbraw/zinc/15/77/16/1352157716.db2.gz WTNQPMQAHIYGMY-UHFFFAOYSA-N -1 1 346.383 2.068 20 0 EEADMM O=C(c1csc(-c2ccccc2F)n1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596514 1337993542 /nfs/dbraw/zinc/99/35/42/1337993542.db2.gz QAFSWJDEWKULOJ-SECBINFHSA-N -1 1 344.375 2.092 20 0 EEADMM COc1cc(S(=O)(=O)Nc2ccc3c(n2)CCC3)ccc1C(=O)[O-] ZINC001610308053 1352203269 /nfs/dbraw/zinc/20/32/69/1352203269.db2.gz PBLADQMMWQKYQZ-UHFFFAOYSA-N -1 1 348.380 2.078 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C(C)(C)CO)c1 ZINC000848197130 1338571011 /nfs/dbraw/zinc/57/10/11/1338571011.db2.gz NOVGYYDZEIIETD-UHFFFAOYSA-N -1 1 332.322 2.131 20 0 EEADMM COc1ccc([C@@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001610321485 1352205253 /nfs/dbraw/zinc/20/52/53/1352205253.db2.gz VBEJKKVVMVSNKT-CYBMUJFWSA-N -1 1 334.416 2.250 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)n[nH]2)c(C)c1 ZINC001610479189 1352229309 /nfs/dbraw/zinc/22/93/09/1352229309.db2.gz GIMWTTXCPHGLCR-ZDUSSCGKSA-N -1 1 343.383 2.009 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(OC)OC ZINC000849405092 1339155777 /nfs/dbraw/zinc/15/57/77/1339155777.db2.gz FNOFNUMOXWFZFJ-LBPRGKRZSA-N -1 1 339.816 2.296 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001610701914 1352261794 /nfs/dbraw/zinc/26/17/94/1352261794.db2.gz XCUHBPHGLVKPQY-JYJNAYRXSA-N -1 1 327.384 2.106 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC001610793892 1352275735 /nfs/dbraw/zinc/27/57/35/1352275735.db2.gz JOAUMAKIIQDCHV-UHFFFAOYSA-N -1 1 336.351 2.029 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC001610793892 1352275737 /nfs/dbraw/zinc/27/57/37/1352275737.db2.gz JOAUMAKIIQDCHV-UHFFFAOYSA-N -1 1 336.351 2.029 20 0 EEADMM CCc1ccccc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001430985007 1340398886 /nfs/dbraw/zinc/39/88/86/1340398886.db2.gz KGJUTFHDDKPWLK-CYBMUJFWSA-N -1 1 341.411 2.288 20 0 EEADMM Cc1cc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])sc1C ZINC001431364142 1340564039 /nfs/dbraw/zinc/56/40/39/1340564039.db2.gz WNLODLDOWROEIB-UHFFFAOYSA-N -1 1 347.440 2.310 20 0 EEADMM CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F ZINC001434587065 1341879129 /nfs/dbraw/zinc/87/91/29/1341879129.db2.gz VVDLRRRCTMVZBN-LDYMZIIASA-N -1 1 333.356 2.218 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCCC12CCOCC2 ZINC001553608726 1342354021 /nfs/dbraw/zinc/35/40/21/1342354021.db2.gz BPECOTUMIFHPOO-GJZGRUSLSA-N -1 1 341.415 2.002 20 0 EEADMM CCn1ncn([N-]C(=O)c2ccc(-c3ccccc3OC)s2)c1=O ZINC001556826984 1342435375 /nfs/dbraw/zinc/43/53/75/1342435375.db2.gz YZLRCKDCMKKFAK-UHFFFAOYSA-N -1 1 344.396 2.186 20 0 EEADMM COCOc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001579820539 1344417798 /nfs/dbraw/zinc/41/77/98/1344417798.db2.gz SSRMTQWTXCNBBV-UHFFFAOYSA-N -1 1 331.357 2.163 20 0 EEADMM COCOc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001579820539 1344417801 /nfs/dbraw/zinc/41/78/01/1344417801.db2.gz SSRMTQWTXCNBBV-UHFFFAOYSA-N -1 1 331.357 2.163 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1F ZINC001579991624 1344445441 /nfs/dbraw/zinc/44/54/41/1344445441.db2.gz GYWFYVSLTADPSG-QMMMGPOBSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1F ZINC001579991624 1344445442 /nfs/dbraw/zinc/44/54/42/1344445442.db2.gz GYWFYVSLTADPSG-QMMMGPOBSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ccc(F)cc1CCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580035091 1344452498 /nfs/dbraw/zinc/45/24/98/1344452498.db2.gz ZMXLFIMERRCJOB-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581304226 1344615898 /nfs/dbraw/zinc/61/58/98/1344615898.db2.gz AZYPBMIQXHVLCN-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581304226 1344615900 /nfs/dbraw/zinc/61/59/00/1344615900.db2.gz AZYPBMIQXHVLCN-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nc2ccc(Cl)cn2c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581532566 1344635874 /nfs/dbraw/zinc/63/58/74/1344635874.db2.gz NGBQHFCHOSRLDN-UHFFFAOYSA-N -1 1 343.734 2.322 20 0 EEADMM Cc1nc2ccc(Cl)cn2c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581532566 1344635876 /nfs/dbraw/zinc/63/58/76/1344635876.db2.gz NGBQHFCHOSRLDN-UHFFFAOYSA-N -1 1 343.734 2.322 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cc(Cl)ccc1F ZINC001582138427 1344705792 /nfs/dbraw/zinc/70/57/92/1344705792.db2.gz DVYYFMWXAUCXHM-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cc(Cl)ccc1F ZINC001582138427 1344705798 /nfs/dbraw/zinc/70/57/98/1344705798.db2.gz DVYYFMWXAUCXHM-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001582338147 1344736306 /nfs/dbraw/zinc/73/63/06/1344736306.db2.gz XWKVXCHKXXLXAP-MFKMUULPSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@H](C2CCC2)C1 ZINC001582549116 1344760511 /nfs/dbraw/zinc/76/05/11/1344760511.db2.gz PGXZBZYCQXTSGY-NSHDSACASA-N -1 1 332.433 2.260 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](C2CC2)C1 ZINC001582549291 1344760820 /nfs/dbraw/zinc/76/08/20/1344760820.db2.gz VCQRKNLHBMTBGM-LLVKDONJSA-N -1 1 332.433 2.260 20 0 EEADMM O=C(Nc1cnn(CC2CC2)c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582650986 1344777759 /nfs/dbraw/zinc/77/77/59/1344777759.db2.gz PRWDSBKXLQQSFK-UHFFFAOYSA-N -1 1 348.370 2.207 20 0 EEADMM O=C(O[C@H]1CCOc2c(F)cccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001582656002 1344779124 /nfs/dbraw/zinc/77/91/24/1344779124.db2.gz LHZSJSDIQKDLHB-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=C(O[C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001582656002 1344779125 /nfs/dbraw/zinc/77/91/25/1344779125.db2.gz LHZSJSDIQKDLHB-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccc(Cl)nc1 ZINC001582806667 1344794446 /nfs/dbraw/zinc/79/44/46/1344794446.db2.gz UIWPZNYWDGXQIY-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@H]1CCC3(CCCC3)O1)CCC2 ZINC001582806563 1344794456 /nfs/dbraw/zinc/79/44/56/1344794456.db2.gz OEPCSUONRYLFPC-CYBMUJFWSA-N -1 1 341.415 2.009 20 0 EEADMM CNc1cc(Cl)ccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586105838 1348840928 /nfs/dbraw/zinc/84/09/28/1348840928.db2.gz RWPPCHUIBVYPEW-AWEZNQCLSA-N -1 1 342.790 2.414 20 0 EEADMM Brc1cc(COc2cnc(-c3nn[n-]n3)nc2)cs1 ZINC001588315118 1348882977 /nfs/dbraw/zinc/88/29/77/1348882977.db2.gz BAEOWVZWMBAJDM-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM C[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC001589000364 1348952144 /nfs/dbraw/zinc/95/21/44/1348952144.db2.gz ZZCLPAUMTHYWIL-MRVPVSSYSA-N -1 1 348.819 2.397 20 0 EEADMM C[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC001589000364 1348952147 /nfs/dbraw/zinc/95/21/47/1348952147.db2.gz ZZCLPAUMTHYWIL-MRVPVSSYSA-N -1 1 348.819 2.397 20 0 EEADMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCCO1 ZINC001589058136 1348955789 /nfs/dbraw/zinc/95/57/89/1348955789.db2.gz KKBBWIGQFMDUCJ-CYBMUJFWSA-N -1 1 331.376 2.106 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@@H](Cn2ccnc2-c2nnn[n-]2)C1 ZINC001589165705 1348966694 /nfs/dbraw/zinc/96/66/94/1348966694.db2.gz PIZKVXDCMBOJLC-LBPRGKRZSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@@H](Cn2ccnc2-c2nn[n-]n2)C1 ZINC001589165705 1348966695 /nfs/dbraw/zinc/96/66/95/1348966695.db2.gz PIZKVXDCMBOJLC-LBPRGKRZSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001589193152 1348967968 /nfs/dbraw/zinc/96/79/68/1348967968.db2.gz JGJFBOPFEACHJV-GHMZBOCLSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001589193152 1348967971 /nfs/dbraw/zinc/96/79/71/1348967971.db2.gz JGJFBOPFEACHJV-GHMZBOCLSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)n1nnc(CSc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589263848 1348976588 /nfs/dbraw/zinc/97/65/88/1348976588.db2.gz CCEWXBZNLFFOCI-UHFFFAOYSA-N -1 1 334.384 2.040 20 0 EEADMM CC(C)(CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C(F)(F)F ZINC001589270094 1348976621 /nfs/dbraw/zinc/97/66/21/1348976621.db2.gz XHZWSJRFSWQMPB-UHFFFAOYSA-N -1 1 343.313 2.384 20 0 EEADMM CC(C)Cc1nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cs1 ZINC001589664437 1349016703 /nfs/dbraw/zinc/01/67/03/1349016703.db2.gz CFLMFHZAMNYNFE-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)Cc1nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cs1 ZINC001589664437 1349016706 /nfs/dbraw/zinc/01/67/06/1349016706.db2.gz CFLMFHZAMNYNFE-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)c1nc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cs1 ZINC001589775430 1349036522 /nfs/dbraw/zinc/03/65/22/1349036522.db2.gz SNDGAAQQMQWNGC-UHFFFAOYSA-N -1 1 344.404 2.299 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1c[nH]c2ccccc21 ZINC001589794216 1349043862 /nfs/dbraw/zinc/04/38/62/1349043862.db2.gz LKESABPNGAHONM-VIFPVBQESA-N -1 1 336.359 2.203 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1c[nH]c2ccccc21 ZINC001589794216 1349043865 /nfs/dbraw/zinc/04/38/65/1349043865.db2.gz LKESABPNGAHONM-VIFPVBQESA-N -1 1 336.359 2.203 20 0 EEADMM C[C@@H](c1cccc(O)c1)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590049760 1349128946 /nfs/dbraw/zinc/12/89/46/1349128946.db2.gz HJILWCSMNRZGQD-JTQLQIEISA-N -1 1 337.387 2.437 20 0 EEADMM C[C@@H](c1cccc(O)c1)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590049760 1349128952 /nfs/dbraw/zinc/12/89/52/1349128952.db2.gz HJILWCSMNRZGQD-JTQLQIEISA-N -1 1 337.387 2.437 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590087680 1349147285 /nfs/dbraw/zinc/14/72/85/1349147285.db2.gz WWOFWVKMYSWAPF-LJQANCHMSA-N -1 1 348.410 2.246 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590087680 1349147292 /nfs/dbraw/zinc/14/72/92/1349147292.db2.gz WWOFWVKMYSWAPF-LJQANCHMSA-N -1 1 348.410 2.246 20 0 EEADMM C[C@@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001590150855 1349176605 /nfs/dbraw/zinc/17/66/05/1349176605.db2.gz QNNTTWSSFYXPGZ-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001590150855 1349176610 /nfs/dbraw/zinc/17/66/10/1349176610.db2.gz QNNTTWSSFYXPGZ-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590225405 1349210130 /nfs/dbraw/zinc/21/01/30/1349210130.db2.gz DMTDZRYWXWXYDI-MDZLAQPJSA-N -1 1 347.423 2.006 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590225405 1349210133 /nfs/dbraw/zinc/21/01/33/1349210133.db2.gz DMTDZRYWXWXYDI-MDZLAQPJSA-N -1 1 347.423 2.006 20 0 EEADMM C[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590252248 1349226884 /nfs/dbraw/zinc/22/68/84/1349226884.db2.gz XVAWXTYOZSZNTQ-TVQRCGJNSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC001590270400 1349241726 /nfs/dbraw/zinc/24/17/26/1349241726.db2.gz VSCLJPOIQMIGEP-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590270400 1349241731 /nfs/dbraw/zinc/24/17/31/1349241731.db2.gz VSCLJPOIQMIGEP-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590283631 1349247246 /nfs/dbraw/zinc/24/72/46/1349247246.db2.gz VBZJEUWRDXDDTP-SDBXPKJASA-N -1 1 344.400 2.061 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCc2ccccc21 ZINC001590297318 1349250737 /nfs/dbraw/zinc/25/07/37/1349250737.db2.gz CKWIEFHMQICIQM-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCc2ccccc21 ZINC001590297318 1349250741 /nfs/dbraw/zinc/25/07/41/1349250741.db2.gz CKWIEFHMQICIQM-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM CC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1ccccc1F ZINC001590447048 1349328913 /nfs/dbraw/zinc/32/89/13/1349328913.db2.gz XFOUSSYZEGCUHU-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1ccccc1F ZINC001590447048 1349328919 /nfs/dbraw/zinc/32/89/19/1349328919.db2.gz XFOUSSYZEGCUHU-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1nc(C)cs1 ZINC001590460325 1349336765 /nfs/dbraw/zinc/33/67/65/1349336765.db2.gz SYQKJEDNGQGQNN-SNVBAGLBSA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1nc(C)cs1 ZINC001590460325 1349336767 /nfs/dbraw/zinc/33/67/67/1349336767.db2.gz SYQKJEDNGQGQNN-SNVBAGLBSA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(C)cc1 ZINC001590468464 1349342374 /nfs/dbraw/zinc/34/23/74/1349342374.db2.gz GAXVMHSSZZDSDK-GFCCVEGCSA-N -1 1 347.400 2.198 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590479101 1349350282 /nfs/dbraw/zinc/35/02/82/1349350282.db2.gz MPQXJIDNOIEGAN-JTQLQIEISA-N -1 1 336.421 2.308 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590479101 1349350288 /nfs/dbraw/zinc/35/02/88/1349350288.db2.gz MPQXJIDNOIEGAN-JTQLQIEISA-N -1 1 336.421 2.308 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590482396 1349351353 /nfs/dbraw/zinc/35/13/53/1349351353.db2.gz IZBWILOQSFUFAH-NSHDSACASA-N -1 1 343.416 2.408 20 0 EEADMM CCC1(C(=O)N(C)CCCNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001590483375 1349351658 /nfs/dbraw/zinc/35/16/58/1349351658.db2.gz IVLNZFHZPUAAMQ-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590850328 1349405267 /nfs/dbraw/zinc/40/52/67/1349405267.db2.gz JIUSZLRJJAXJCN-VXGBXAGGSA-N -1 1 335.408 2.410 20 0 EEADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590850328 1349405272 /nfs/dbraw/zinc/40/52/72/1349405272.db2.gz JIUSZLRJJAXJCN-VXGBXAGGSA-N -1 1 335.408 2.410 20 0 EEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850644 1349405414 /nfs/dbraw/zinc/40/54/14/1349405414.db2.gz MBPIEBDFBAGSAY-CMPLNLGQSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590850644 1349405416 /nfs/dbraw/zinc/40/54/16/1349405416.db2.gz MBPIEBDFBAGSAY-CMPLNLGQSA-N -1 1 347.448 2.448 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC001590878007 1349408578 /nfs/dbraw/zinc/40/85/78/1349408578.db2.gz LOBHTHGUHTUTQK-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM CCn1c(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)nc2ccccc21 ZINC001590945805 1349420903 /nfs/dbraw/zinc/42/09/03/1349420903.db2.gz SEMQLLPJDMZLRK-UHFFFAOYSA-N -1 1 349.402 2.449 20 0 EEADMM CCn1c(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nc2ccccc21 ZINC001590945805 1349420909 /nfs/dbraw/zinc/42/09/09/1349420909.db2.gz SEMQLLPJDMZLRK-UHFFFAOYSA-N -1 1 349.402 2.449 20 0 EEADMM COC(=O)c1sc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1C ZINC001591309675 1349460386 /nfs/dbraw/zinc/46/03/86/1349460386.db2.gz YHILPOCXYIEYGF-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1sc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1C ZINC001591309675 1349460396 /nfs/dbraw/zinc/46/03/96/1349460396.db2.gz YHILPOCXYIEYGF-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591335921 1349463476 /nfs/dbraw/zinc/46/34/76/1349463476.db2.gz YRJVWLZVGIACSG-OTYXRUKQSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591335921 1349463481 /nfs/dbraw/zinc/46/34/81/1349463481.db2.gz YRJVWLZVGIACSG-OTYXRUKQSA-N -1 1 345.334 2.105 20 0 EEADMM COCC1(C2CCC2)CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591386191 1349477490 /nfs/dbraw/zinc/47/74/90/1349477490.db2.gz ZCKKDOHJRXLGCK-UHFFFAOYSA-N -1 1 340.840 2.230 20 0 EEADMM COCC1(C2CCC2)CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591386191 1349477495 /nfs/dbraw/zinc/47/74/95/1349477495.db2.gz ZCKKDOHJRXLGCK-UHFFFAOYSA-N -1 1 340.840 2.230 20 0 EEADMM COc1ccc(OCCNc2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001591620551 1349516553 /nfs/dbraw/zinc/51/65/53/1349516553.db2.gz CFRDPXZPMVHRGZ-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccc(OCCNc2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001591620551 1349516560 /nfs/dbraw/zinc/51/65/60/1349516560.db2.gz CFRDPXZPMVHRGZ-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC001592264494 1349614969 /nfs/dbraw/zinc/61/49/69/1349614969.db2.gz UBDSEEGRSUKOSI-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC001592264494 1349614970 /nfs/dbraw/zinc/61/49/70/1349614970.db2.gz UBDSEEGRSUKOSI-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nc(NCc2cccc(OCC(F)F)c2)cc(-c2nnn[n-]2)n1 ZINC001592395248 1349627533 /nfs/dbraw/zinc/62/75/33/1349627533.db2.gz BVIVKSRTIHKOKM-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1nc(NCc2cccc(OCC(F)F)c2)cc(-c2nn[n-]n2)n1 ZINC001592395248 1349627535 /nfs/dbraw/zinc/62/75/35/1349627535.db2.gz BVIVKSRTIHKOKM-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592468100 1349634769 /nfs/dbraw/zinc/63/47/69/1349634769.db2.gz AZBXBFVCPALKMF-QMMMGPOBSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592468100 1349634770 /nfs/dbraw/zinc/63/47/70/1349634770.db2.gz AZBXBFVCPALKMF-QMMMGPOBSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001592496400 1349637238 /nfs/dbraw/zinc/63/72/38/1349637238.db2.gz DSVOVGWWRBBGLG-CYBMUJFWSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](C2CCOCC2)C1 ZINC001592496400 1349637239 /nfs/dbraw/zinc/63/72/39/1349637239.db2.gz DSVOVGWWRBBGLG-CYBMUJFWSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC001592498675 1349637268 /nfs/dbraw/zinc/63/72/68/1349637268.db2.gz CRUYKKXDAJLBCC-LDYMZIIASA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC001592498675 1349637269 /nfs/dbraw/zinc/63/72/69/1349637269.db2.gz CRUYKKXDAJLBCC-LDYMZIIASA-N -1 1 347.400 2.072 20 0 EEADMM Clc1nc(N2CCC[C@@H]2C2CCOCC2)sc1-c1nnn[n-]1 ZINC001592541437 1349654198 /nfs/dbraw/zinc/65/41/98/1349654198.db2.gz YMVOWGIJPBCVJT-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nc(N2CCC[C@@H]2C2CCOCC2)sc1-c1nn[n-]n1 ZINC001592541437 1349654199 /nfs/dbraw/zinc/65/41/99/1349654199.db2.gz YMVOWGIJPBCVJT-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CC[C@H]2CCc3ccccc32)n1 ZINC001592559033 1349657645 /nfs/dbraw/zinc/65/76/45/1349657645.db2.gz UEQGDWZKVFNKQD-GFCCVEGCSA-N -1 1 337.387 2.049 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CC[C@H]2CCc3ccccc32)n1 ZINC001592559033 1349657648 /nfs/dbraw/zinc/65/76/48/1349657648.db2.gz UEQGDWZKVFNKQD-GFCCVEGCSA-N -1 1 337.387 2.049 20 0 EEADMM Cn1cc([C@H](NCc2csc(-c3nn[n-]n3)c2)C(F)(F)F)cn1 ZINC001592567835 1349659425 /nfs/dbraw/zinc/65/94/25/1349659425.db2.gz RUQXHCSQHWLZIY-JTQLQIEISA-N -1 1 343.338 2.055 20 0 EEADMM Cn1cc2c(n1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592577568 1349661052 /nfs/dbraw/zinc/66/10/52/1349661052.db2.gz IIBVBHUBGNYLHU-JTQLQIEISA-N -1 1 330.783 2.138 20 0 EEADMM Cn1cc2c(n1)CCC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592577568 1349661054 /nfs/dbraw/zinc/66/10/54/1349661054.db2.gz IIBVBHUBGNYLHU-JTQLQIEISA-N -1 1 330.783 2.138 20 0 EEADMM Fc1cccc(Cl)c1CC1CN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592656882 1349701554 /nfs/dbraw/zinc/70/15/54/1349701554.db2.gz VIQJYZWZELWLJU-UHFFFAOYSA-N -1 1 345.769 2.128 20 0 EEADMM Fc1cccc(Cl)c1CC1CN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592656882 1349701556 /nfs/dbraw/zinc/70/15/56/1349701556.db2.gz VIQJYZWZELWLJU-UHFFFAOYSA-N -1 1 345.769 2.128 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001592968316 1349730826 /nfs/dbraw/zinc/73/08/26/1349730826.db2.gz HPWFZQNTADRDAD-WCQYABFASA-N -1 1 325.397 2.289 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc2cc(F)ccc2[nH]1 ZINC001593136366 1349739691 /nfs/dbraw/zinc/73/96/91/1349739691.db2.gz MXSYOIORNBZESV-UHFFFAOYSA-N -1 1 342.359 2.479 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)cc(Cl)n1 ZINC001593245643 1349749566 /nfs/dbraw/zinc/74/95/66/1349749566.db2.gz ZQCNTCBBTDLEKN-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)cc(Cl)n1 ZINC001593245643 1349749570 /nfs/dbraw/zinc/74/95/70/1349749570.db2.gz ZQCNTCBBTDLEKN-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC2CCC2)cc1 ZINC001593245561 1349749689 /nfs/dbraw/zinc/74/96/89/1349749689.db2.gz UWFHSZBYWBFETL-UHFFFAOYSA-N -1 1 336.355 2.445 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC2CCC2)cc1 ZINC001593245561 1349749693 /nfs/dbraw/zinc/74/96/93/1349749693.db2.gz UWFHSZBYWBFETL-UHFFFAOYSA-N -1 1 336.355 2.445 20 0 EEADMM O=C(OCC[C@@H]1CC1(Cl)Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593286299 1349764330 /nfs/dbraw/zinc/76/43/30/1349764330.db2.gz HREYVTKJCJULBD-SSDOTTSWSA-N -1 1 328.159 2.002 20 0 EEADMM O=C(OCC[C@@H]1CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593286299 1349764332 /nfs/dbraw/zinc/76/43/32/1349764332.db2.gz HREYVTKJCJULBD-SSDOTTSWSA-N -1 1 328.159 2.002 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)cn1 ZINC001593259943 1349754252 /nfs/dbraw/zinc/75/42/52/1349754252.db2.gz DYVFCHIAIWPDMI-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1cc2ncccc2o1 ZINC001593263518 1349754612 /nfs/dbraw/zinc/75/46/12/1349754612.db2.gz BULHGRHZQSRXCU-UHFFFAOYSA-N -1 1 347.747 2.370 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cc2ncccc2o1 ZINC001593263518 1349754614 /nfs/dbraw/zinc/75/46/14/1349754614.db2.gz BULHGRHZQSRXCU-UHFFFAOYSA-N -1 1 347.747 2.370 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1OC2CCC1CC2 ZINC001593264517 1349755066 /nfs/dbraw/zinc/75/50/66/1349755066.db2.gz UONOENYAKODRKF-UHFFFAOYSA-N -1 1 341.784 2.067 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCc2c(O)cccc21 ZINC001593298031 1349772274 /nfs/dbraw/zinc/77/22/74/1349772274.db2.gz WVBYSYZPGCTDEP-ZDUSSCGKSA-N -1 1 340.339 2.329 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCc2c(O)cccc21 ZINC001593298031 1349772277 /nfs/dbraw/zinc/77/22/77/1349772277.db2.gz WVBYSYZPGCTDEP-ZDUSSCGKSA-N -1 1 340.339 2.329 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@@H](C2CC2)C1 ZINC001593329895 1349781906 /nfs/dbraw/zinc/78/19/06/1349781906.db2.gz YNGOWODGKKSVOO-SNVBAGLBSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@@H](C2CC2)C1 ZINC001593329895 1349781910 /nfs/dbraw/zinc/78/19/10/1349781910.db2.gz YNGOWODGKKSVOO-SNVBAGLBSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2cccnc2)C1 ZINC001593338174 1349784469 /nfs/dbraw/zinc/78/44/69/1349784469.db2.gz PTWHINDISCMWDU-GFCCVEGCSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2cccnc2)C1 ZINC001593338174 1349784471 /nfs/dbraw/zinc/78/44/71/1349784471.db2.gz PTWHINDISCMWDU-GFCCVEGCSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](C2CCOCC2)C1 ZINC001593371951 1349792601 /nfs/dbraw/zinc/79/26/01/1349792601.db2.gz XHORTQOVEKHQTJ-GFCCVEGCSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1sccc1-c1nn[n-]n1 ZINC001593396875 1349797094 /nfs/dbraw/zinc/79/70/94/1349797094.db2.gz HGNAOXAWORDWNK-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C1OCCN1c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001593421768 1349800402 /nfs/dbraw/zinc/80/04/02/1349800402.db2.gz CJQBFSKDXAYZLB-UHFFFAOYSA-N -1 1 342.384 2.497 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC[C@H]1CC1(Cl)Cl)CCC2 ZINC001593492387 1349818364 /nfs/dbraw/zinc/81/83/64/1349818364.db2.gz NVUVIDKWCSGWRU-VIFPVBQESA-N -1 1 340.214 2.101 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@@H](O)CC1CCCC1 ZINC001593495140 1349819645 /nfs/dbraw/zinc/81/96/45/1349819645.db2.gz WBGYJISUFXFJOF-ZDUSSCGKSA-N -1 1 339.399 2.123 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593570805 1349855861 /nfs/dbraw/zinc/85/58/61/1349855861.db2.gz LHLSARWKKGYMEA-TZMCWYRMSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593570805 1349855869 /nfs/dbraw/zinc/85/58/69/1349855869.db2.gz LHLSARWKKGYMEA-TZMCWYRMSA-N -1 1 337.387 2.237 20 0 EEADMM c1cn(Cc2ccccn2)c(SCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001593576343 1349859488 /nfs/dbraw/zinc/85/94/88/1349859488.db2.gz XUKAFABWNVVVRF-UHFFFAOYSA-N -1 1 339.384 2.392 20 0 EEADMM c1cn(Cc2ccccn2)c(SCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001593576343 1349859494 /nfs/dbraw/zinc/85/94/94/1349859494.db2.gz XUKAFABWNVVVRF-UHFFFAOYSA-N -1 1 339.384 2.392 20 0 EEADMM O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc([O-])cc1F ZINC001596668905 1349910029 /nfs/dbraw/zinc/91/00/29/1349910029.db2.gz NXPNJQUBXVSBEZ-UHFFFAOYSA-N -1 1 339.326 2.389 20 0 EEADMM Cc1cc(CNS(=O)(=O)c2c(F)cc(F)cc2F)oc1C(=O)[O-] ZINC001600210292 1349994054 /nfs/dbraw/zinc/99/40/54/1349994054.db2.gz LSFHASKDBFQKBL-UHFFFAOYSA-N -1 1 349.286 2.182 20 0 EEADMM Cc1cc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)nc(C)c1C(=O)[O-] ZINC001600251664 1350002034 /nfs/dbraw/zinc/00/20/34/1350002034.db2.gz FQQBOCRTAZGSGJ-PELKAZGASA-N -1 1 328.372 2.424 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC([C@@H](C)CO)CC1 ZINC001600353468 1350027387 /nfs/dbraw/zinc/02/73/87/1350027387.db2.gz YGLACTNEYSTTDK-KBPBESRZSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001600371884 1350032509 /nfs/dbraw/zinc/03/25/09/1350032509.db2.gz HONHZRALOZONTC-HUUCEWRRSA-N -1 1 333.432 2.246 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC001600373706 1350033071 /nfs/dbraw/zinc/03/30/71/1350033071.db2.gz QHFZWSWKMZHWJK-YPMHNXCESA-N -1 1 339.461 2.308 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001600380749 1350034985 /nfs/dbraw/zinc/03/49/85/1350034985.db2.gz SVSAAXYTUIEIGV-MRXNPFEDSA-N -1 1 343.383 2.087 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001600470093 1350059696 /nfs/dbraw/zinc/05/96/96/1350059696.db2.gz JNAJUULRTKNIDQ-MRXNPFEDSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC001600641689 1350104137 /nfs/dbraw/zinc/10/41/37/1350104137.db2.gz RWEBWCIFZBBXQO-UHFFFAOYSA-N -1 1 327.340 2.330 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001600675081 1350114586 /nfs/dbraw/zinc/11/45/86/1350114586.db2.gz MFFNDZPZBUMESN-KQTLUZQSSA-N -1 1 346.431 2.106 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC001600829153 1350146710 /nfs/dbraw/zinc/14/67/10/1350146710.db2.gz RXVLYVZZGBGPPF-IBGZPJMESA-N -1 1 345.395 2.440 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3cc(F)ccc3O)[nH]c21 ZINC001601354560 1350264694 /nfs/dbraw/zinc/26/46/94/1350264694.db2.gz FRGCJRWXNISISI-UHFFFAOYSA-N -1 1 329.287 2.287 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC001601442675 1350284904 /nfs/dbraw/zinc/28/49/04/1350284904.db2.gz OTBNTMCSUMSFKZ-DLBZAZTESA-N -1 1 345.443 2.053 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 ZINC001601454065 1350287160 /nfs/dbraw/zinc/28/71/60/1350287160.db2.gz DLXNDGYMYKLVKI-INIZCTEOSA-N -1 1 342.395 2.474 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)N[C@@H](C(F)F)C2CCCCC2)CCC1 ZINC001601712965 1350345522 /nfs/dbraw/zinc/34/55/22/1350345522.db2.gz NXWZPGGWVQPWSN-LLVKDONJSA-N -1 1 339.404 2.375 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc(Cl)c1F)C[C@@H]2C(=O)[O-] ZINC001601780082 1350363015 /nfs/dbraw/zinc/36/30/15/1350363015.db2.gz JCZRXRIKPOXPHS-NOEPWBJOSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])[C@H]1CCC[C@H]1NCc1nc2ccccn2c1Br ZINC001601809956 1350369422 /nfs/dbraw/zinc/36/94/22/1350369422.db2.gz URNLIKQNWILFLA-VHSXEESVSA-N -1 1 338.205 2.440 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cccc3[nH]ncc32)c2ccc(F)cc2O1 ZINC001601847258 1350380183 /nfs/dbraw/zinc/38/01/83/1350380183.db2.gz YYULEGGGGKOQBO-OAHLLOKOSA-N -1 1 341.298 2.194 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2ccc(F)cn2)CC1 ZINC001602144010 1350449717 /nfs/dbraw/zinc/44/97/17/1350449717.db2.gz FLLKTFWSQUUCSZ-UHFFFAOYSA-N -1 1 329.375 2.170 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001602269989 1350482228 /nfs/dbraw/zinc/48/22/28/1350482228.db2.gz VXPFZLPIZJHGMH-CQSZACIVSA-N -1 1 340.314 2.161 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)C[C@@H](O)c1ccccc1)CC2 ZINC001602421227 1350515274 /nfs/dbraw/zinc/51/52/74/1350515274.db2.gz YUNQZWABVIOVTQ-RBUKOAKNSA-N -1 1 341.407 2.228 20 0 EEADMM O=C([O-])c1cnc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cn1 ZINC001602518978 1350537088 /nfs/dbraw/zinc/53/70/88/1350537088.db2.gz MIVDKFMCZCZRFO-KRWDZBQOSA-N -1 1 347.802 2.312 20 0 EEADMM O=C([O-])c1cnc(CNC[C@@H](CO)c2ccc(Cl)cc2)s1 ZINC001602520883 1350537401 /nfs/dbraw/zinc/53/74/01/1350537401.db2.gz CDUBHQRGSRJWSN-JTQLQIEISA-N -1 1 326.805 2.360 20 0 EEADMM O=C([O-])c1cnc(N(C(=O)c2ccc3cncn3c2)C2CC2)s1 ZINC001602524843 1350538638 /nfs/dbraw/zinc/53/86/38/1350538638.db2.gz DCVADACWFMPXNL-UHFFFAOYSA-N -1 1 328.353 2.298 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001602547782 1350543654 /nfs/dbraw/zinc/54/36/54/1350543654.db2.gz ZSMRXDVHFXDCMP-UHFFFAOYSA-N -1 1 344.293 2.494 20 0 EEADMM O=C([O-])c1nccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC001602573032 1350549211 /nfs/dbraw/zinc/54/92/11/1350549211.db2.gz CSLIXHCTPWXTFZ-CQSZACIVSA-N -1 1 346.818 2.499 20 0 EEADMM O=C([O-])c1nccc(NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC001602573026 1350549240 /nfs/dbraw/zinc/54/92/40/1350549240.db2.gz CMFHOPAQIVRPIH-CQSZACIVSA-N -1 1 346.818 2.499 20 0 EEADMM CC(C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001603031402 1350624796 /nfs/dbraw/zinc/62/47/96/1350624796.db2.gz FLXCQZUCNISMOY-UHFFFAOYSA-N -1 1 345.359 2.059 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001603161522 1350652236 /nfs/dbraw/zinc/65/22/36/1350652236.db2.gz RFPVYLRDEYEJGX-NEPJUHHUSA-N -1 1 347.440 2.065 20 0 EEADMM CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001603433825 1350704170 /nfs/dbraw/zinc/70/41/70/1350704170.db2.gz ITBNUKWAFIBAIS-NSHDSACASA-N -1 1 341.375 2.045 20 0 EEADMM CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001603433825 1350704175 /nfs/dbraw/zinc/70/41/75/1350704175.db2.gz ITBNUKWAFIBAIS-NSHDSACASA-N -1 1 341.375 2.045 20 0 EEADMM C[C@@H](COc1ccccc1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001603572034 1350721901 /nfs/dbraw/zinc/72/19/01/1350721901.db2.gz VYKNZADXSDPBES-NSHDSACASA-N -1 1 337.387 2.414 20 0 EEADMM C[C@@H](COc1ccccc1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001603572034 1350721905 /nfs/dbraw/zinc/72/19/05/1350721905.db2.gz VYKNZADXSDPBES-NSHDSACASA-N -1 1 337.387 2.414 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603583963 1350724788 /nfs/dbraw/zinc/72/47/88/1350724788.db2.gz CJJJCHNILOLUNJ-JTQLQIEISA-N -1 1 342.790 2.276 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603583963 1350724790 /nfs/dbraw/zinc/72/47/90/1350724790.db2.gz CJJJCHNILOLUNJ-JTQLQIEISA-N -1 1 342.790 2.276 20 0 EEADMM CC(C)(CCNc1cccc(CN2CCC[C@H]2C(N)=O)c1)C(=O)[O-] ZINC001603613513 1350728469 /nfs/dbraw/zinc/72/84/69/1350728469.db2.gz UNLSTTWNBFXVKR-HNNXBMFYSA-N -1 1 333.432 2.049 20 0 EEADMM C[C@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1nc(C2CC2)no1 ZINC001603704902 1350746457 /nfs/dbraw/zinc/74/64/57/1350746457.db2.gz MSWDNQAWUUDMKL-LURJTMIESA-N -1 1 332.345 2.107 20 0 EEADMM C[C@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC001603704902 1350746464 /nfs/dbraw/zinc/74/64/64/1350746464.db2.gz MSWDNQAWUUDMKL-LURJTMIESA-N -1 1 332.345 2.107 20 0 EEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603868352 1350787134 /nfs/dbraw/zinc/78/71/34/1350787134.db2.gz VYWPSJTWIKVCQR-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603868352 1350787141 /nfs/dbraw/zinc/78/71/41/1350787141.db2.gz VYWPSJTWIKVCQR-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2cccc(F)c2O1 ZINC001603932675 1350804863 /nfs/dbraw/zinc/80/48/63/1350804863.db2.gz XQARHULPZCUHDY-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001604001384 1350826432 /nfs/dbraw/zinc/82/64/32/1350826432.db2.gz TUZLPFHRSLRXAY-MNOVXSKESA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001604001384 1350826435 /nfs/dbraw/zinc/82/64/35/1350826435.db2.gz TUZLPFHRSLRXAY-MNOVXSKESA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)c1cccc(NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC001604008798 1350828443 /nfs/dbraw/zinc/82/84/43/1350828443.db2.gz IXHHBTBAGHKYEN-HZPDHXFCSA-N -1 1 334.416 2.360 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604041540 1350837102 /nfs/dbraw/zinc/83/71/02/1350837102.db2.gz DEHBFJWQKZBEKD-CYBMUJFWSA-N -1 1 329.335 2.350 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604041540 1350837105 /nfs/dbraw/zinc/83/71/05/1350837105.db2.gz DEHBFJWQKZBEKD-CYBMUJFWSA-N -1 1 329.335 2.350 20 0 EEADMM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001604095567 1350855107 /nfs/dbraw/zinc/85/51/07/1350855107.db2.gz RNPPZAMZGVWDRC-VIFPVBQESA-N -1 1 325.328 2.069 20 0 EEADMM C[C@@H](CN(CN1C[C@](C)(c2ccccc2F)C1=O)C1CC1)C(=O)[O-] ZINC001604162111 1350880066 /nfs/dbraw/zinc/88/00/66/1350880066.db2.gz ZETKCJWEDUTIBR-KPZWWZAWSA-N -1 1 334.391 2.068 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCCCC2 ZINC001604411453 1350932221 /nfs/dbraw/zinc/93/22/21/1350932221.db2.gz COZQYDWYFYBTJX-CHWSQXEVSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCCCC2 ZINC001604411453 1350932223 /nfs/dbraw/zinc/93/22/23/1350932223.db2.gz COZQYDWYFYBTJX-CHWSQXEVSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(CC)CC ZINC001604412181 1350932758 /nfs/dbraw/zinc/93/27/58/1350932758.db2.gz ILQASBPTWCIQHQ-STQMWFEESA-N -1 1 331.424 2.361 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(CC)CC ZINC001604412181 1350932762 /nfs/dbraw/zinc/93/27/62/1350932762.db2.gz ILQASBPTWCIQHQ-STQMWFEESA-N -1 1 331.424 2.361 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1(CC)CC ZINC001604412124 1350932830 /nfs/dbraw/zinc/93/28/30/1350932830.db2.gz HWJWFKKLUMVUOG-CHWSQXEVSA-N -1 1 333.392 2.173 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1(CC)CC ZINC001604412124 1350932832 /nfs/dbraw/zinc/93/28/32/1350932832.db2.gz HWJWFKKLUMVUOG-CHWSQXEVSA-N -1 1 333.392 2.173 20 0 EEADMM CCSc1ccccc1CCNc1nccnc1-c1nnn[n-]1 ZINC001604484358 1350947921 /nfs/dbraw/zinc/94/79/21/1350947921.db2.gz NSKZORUUSUUDSR-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CCSc1ccccc1CCNc1nccnc1-c1nn[n-]n1 ZINC001604484358 1350947922 /nfs/dbraw/zinc/94/79/22/1350947922.db2.gz NSKZORUUSUUDSR-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CCc1cccc(OC)c1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604531318 1350956134 /nfs/dbraw/zinc/95/61/34/1350956134.db2.gz DCCAYPFDTKSYRI-UHFFFAOYSA-N -1 1 339.355 2.190 20 0 EEADMM CCc1cccc(OC)c1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604531318 1350956137 /nfs/dbraw/zinc/95/61/37/1350956137.db2.gz DCCAYPFDTKSYRI-UHFFFAOYSA-N -1 1 339.355 2.190 20 0 EEADMM CC1=CCN(CCNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001604615956 1350971011 /nfs/dbraw/zinc/97/10/11/1350971011.db2.gz XOGZOMBHHUXTHD-UHFFFAOYSA-N -1 1 341.411 2.177 20 0 EEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001604780045 1351001612 /nfs/dbraw/zinc/00/16/12/1351001612.db2.gz YYTJRSBLHXCWOF-DDHJBXDOSA-N -1 1 348.390 2.282 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC001604780729 1351002195 /nfs/dbraw/zinc/00/21/95/1351002195.db2.gz JZPUBFMUQGWPOR-KGLIPLIRSA-N -1 1 341.411 2.448 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(CCc2ccccc2)CC1 ZINC001604788004 1351003020 /nfs/dbraw/zinc/00/30/20/1351003020.db2.gz IQUYOCOSLUCPJD-INIZCTEOSA-N -1 1 344.455 2.407 20 0 EEADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC001604827635 1351017240 /nfs/dbraw/zinc/01/72/40/1351017240.db2.gz KGUNXGOSCMULKL-SIGLWIIPSA-N -1 1 331.416 2.320 20 0 EEADMM COCc1csc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001605136217 1351085535 /nfs/dbraw/zinc/08/55/35/1351085535.db2.gz NFBCIHLZOWXKSZ-XBXARRHUSA-N -1 1 344.400 2.439 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC001605346038 1351142234 /nfs/dbraw/zinc/14/22/34/1351142234.db2.gz IIFLTXAZSYBICU-QWHCGFSZSA-N -1 1 336.355 2.013 20 0 EEADMM CSc1nn(-c2ccccc2)c(NC(=O)C2CC2)c1-c1nnn[n-]1 ZINC001605392991 1351152542 /nfs/dbraw/zinc/15/25/42/1351152542.db2.gz WDDJYFRQZHGYED-UHFFFAOYSA-N -1 1 341.400 2.123 20 0 EEADMM CSc1nn(-c2ccccc2)c(NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001605392991 1351152545 /nfs/dbraw/zinc/15/25/45/1351152545.db2.gz WDDJYFRQZHGYED-UHFFFAOYSA-N -1 1 341.400 2.123 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(C(F)(F)F)nc1 ZINC001605404611 1351154647 /nfs/dbraw/zinc/15/46/47/1351154647.db2.gz DUYVZFSXLILZAW-SSDOTTSWSA-N -1 1 336.281 2.244 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(C(F)(F)F)nc1 ZINC001605404611 1351154649 /nfs/dbraw/zinc/15/46/49/1351154649.db2.gz DUYVZFSXLILZAW-SSDOTTSWSA-N -1 1 336.281 2.244 20 0 EEADMM CCN(CC)C(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2C)CC1 ZINC001605424305 1351156537 /nfs/dbraw/zinc/15/65/37/1351156537.db2.gz DZLRWBZXSZNKSI-MRXNPFEDSA-N -1 1 333.432 2.200 20 0 EEADMM Cc1c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccn1Cc1ccccc1 ZINC001605481211 1351168197 /nfs/dbraw/zinc/16/81/97/1351168197.db2.gz BQNAHXNPBAGCGX-UHFFFAOYSA-N -1 1 348.370 2.000 20 0 EEADMM CCOC(=O)[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C(C)C ZINC001605505145 1351173450 /nfs/dbraw/zinc/17/34/50/1351173450.db2.gz DEUJPTYDPCOMPE-NSHDSACASA-N -1 1 333.344 2.035 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2cccc3cccnc32)n1 ZINC001605580639 1351193812 /nfs/dbraw/zinc/19/38/12/1351193812.db2.gz DFQSHCCAPDVEKJ-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2cccc3cccnc32)n1 ZINC001605580639 1351193816 /nfs/dbraw/zinc/19/38/16/1351193816.db2.gz DFQSHCCAPDVEKJ-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cnn(CC(C)C)c2C(F)F)n1 ZINC001605585247 1351195050 /nfs/dbraw/zinc/19/50/50/1351195050.db2.gz MERYLXIALQREBK-UHFFFAOYSA-N -1 1 349.349 2.499 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cnn(CC(C)C)c2C(F)F)n1 ZINC001605585247 1351195053 /nfs/dbraw/zinc/19/50/53/1351195053.db2.gz MERYLXIALQREBK-UHFFFAOYSA-N -1 1 349.349 2.499 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c2ccccc2n1 ZINC001605619742 1351202702 /nfs/dbraw/zinc/20/27/02/1351202702.db2.gz DDMQIJWZGKYFCL-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c2ccccc2n1 ZINC001605619742 1351202706 /nfs/dbraw/zinc/20/27/06/1351202706.db2.gz DDMQIJWZGKYFCL-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM CCc1[nH]c(CNCc2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC001605773252 1351222121 /nfs/dbraw/zinc/22/21/21/1351222121.db2.gz BBZKONIVEIVJAC-UHFFFAOYSA-N -1 1 329.400 2.267 20 0 EEADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1N1CCCC1 ZINC001605872140 1351242583 /nfs/dbraw/zinc/24/25/83/1351242583.db2.gz RJJFORSQKKZRCM-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1N1CCCC1 ZINC001605872140 1351242586 /nfs/dbraw/zinc/24/25/86/1351242586.db2.gz RJJFORSQKKZRCM-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@H](c3ccncc3)C2)c(-c2nnn[n-]2)n1 ZINC001605871971 1351242595 /nfs/dbraw/zinc/24/25/95/1351242595.db2.gz PHOWNJLMOCGYAV-ZFWWWQNUSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@H](c3ccncc3)C2)c(-c2nn[n-]n2)n1 ZINC001605871971 1351242597 /nfs/dbraw/zinc/24/25/97/1351242597.db2.gz PHOWNJLMOCGYAV-ZFWWWQNUSA-N -1 1 337.387 2.297 20 0 EEADMM CN(C(=O)c1cccc(Br)c1O)C(C)(C)CC(=O)[O-] ZINC001605982152 1351261194 /nfs/dbraw/zinc/26/11/94/1351261194.db2.gz NSFWGXPYVPRSSG-UHFFFAOYSA-N -1 1 330.178 2.480 20 0 EEADMM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)C1CCC(F)(F)CC1 ZINC001606084667 1351267996 /nfs/dbraw/zinc/26/79/96/1351267996.db2.gz XWDHKHILIOWBTQ-UHFFFAOYSA-N -1 1 347.387 2.218 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001606139863 1351277967 /nfs/dbraw/zinc/27/79/67/1351277967.db2.gz XCMPVJPBOPXKRD-WDEREUQCSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001606139863 1351277971 /nfs/dbraw/zinc/27/79/71/1351277971.db2.gz XCMPVJPBOPXKRD-WDEREUQCSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC001606165665 1351279945 /nfs/dbraw/zinc/27/99/45/1351279945.db2.gz IMAYFZDTTCKEDA-AAEUAGOBSA-N -1 1 333.417 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC001606165665 1351279948 /nfs/dbraw/zinc/27/99/48/1351279948.db2.gz IMAYFZDTTCKEDA-AAEUAGOBSA-N -1 1 333.417 2.268 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001606168521 1351280731 /nfs/dbraw/zinc/28/07/31/1351280731.db2.gz ITSDKHJUKOHKPZ-VIFPVBQESA-N -1 1 339.355 2.022 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2c(c1)C[C@H](C)O2 ZINC001606168521 1351280737 /nfs/dbraw/zinc/28/07/37/1351280737.db2.gz ITSDKHJUKOHKPZ-VIFPVBQESA-N -1 1 339.355 2.022 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001606168519 1351280768 /nfs/dbraw/zinc/28/07/68/1351280768.db2.gz ITSDKHJUKOHKPZ-SECBINFHSA-N -1 1 339.355 2.022 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2c(c1)C[C@@H](C)O2 ZINC001606168519 1351280772 /nfs/dbraw/zinc/28/07/72/1351280772.db2.gz ITSDKHJUKOHKPZ-SECBINFHSA-N -1 1 339.355 2.022 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637807 1351335639 /nfs/dbraw/zinc/33/56/39/1351335639.db2.gz GDJKGYUBCHSDBG-IUODEOHRSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637807 1351335641 /nfs/dbraw/zinc/33/56/41/1351335641.db2.gz GDJKGYUBCHSDBG-IUODEOHRSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)F)o1 ZINC001606830922 1351363696 /nfs/dbraw/zinc/36/36/96/1351363696.db2.gz OHTXVZKWGAVRKU-UHFFFAOYSA-N -1 1 325.300 2.389 20 0 EEADMM O=C(NCc1ccccc1OC1CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606839093 1351365403 /nfs/dbraw/zinc/36/54/03/1351365403.db2.gz BBFIXEJIWMWGHF-UHFFFAOYSA-N -1 1 339.355 2.321 20 0 EEADMM O=C(NCc1ccccc1OC1CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606839093 1351365406 /nfs/dbraw/zinc/36/54/06/1351365406.db2.gz BBFIXEJIWMWGHF-UHFFFAOYSA-N -1 1 339.355 2.321 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cc(F)ccc1Cl ZINC001606844437 1351365676 /nfs/dbraw/zinc/36/56/76/1351365676.db2.gz OYBFRJOTQXYXLE-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cc(F)ccc1Cl ZINC001606844437 1351365681 /nfs/dbraw/zinc/36/56/81/1351365681.db2.gz OYBFRJOTQXYXLE-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001606887937 1351370212 /nfs/dbraw/zinc/37/02/12/1351370212.db2.gz FYHHHOVZKYMZKH-UMSPYCQHSA-N -1 1 327.319 2.275 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001606887937 1351370214 /nfs/dbraw/zinc/37/02/14/1351370214.db2.gz FYHHHOVZKYMZKH-UMSPYCQHSA-N -1 1 327.319 2.275 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2[nH]ccc2c1 ZINC001606892428 1351370798 /nfs/dbraw/zinc/37/07/98/1351370798.db2.gz JNEDYBHPAKPJOX-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606916467 1351375820 /nfs/dbraw/zinc/37/58/20/1351375820.db2.gz FTYSLOJWDPHBDF-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606916467 1351375825 /nfs/dbraw/zinc/37/58/25/1351375825.db2.gz FTYSLOJWDPHBDF-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM O=C(Nc1ccc2c(c1)COC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606929397 1351378826 /nfs/dbraw/zinc/37/88/26/1351378826.db2.gz VBRKSYWSNAPYMN-UHFFFAOYSA-N -1 1 325.303 2.288 20 0 EEADMM O=C(Nc1ccc2c(c1)COC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606929397 1351378830 /nfs/dbraw/zinc/37/88/30/1351378830.db2.gz VBRKSYWSNAPYMN-UHFFFAOYSA-N -1 1 325.303 2.288 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1sccc1-c1nn[n-]n1 ZINC001606965770 1351386431 /nfs/dbraw/zinc/38/64/31/1351386431.db2.gz UUYKIKLKMQYQJN-ZFRGLUTLSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1C2CCCC1CCC2 ZINC001607014044 1351397488 /nfs/dbraw/zinc/39/74/88/1351397488.db2.gz AEFXYNBQEYMIOH-UHFFFAOYSA-N -1 1 332.795 2.462 20 0 EEADMM O[C@@]1(C2CC2)CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001607098421 1351417346 /nfs/dbraw/zinc/41/73/46/1351417346.db2.gz NXGFTURRXRFCPB-SFHVURJKSA-N -1 1 336.399 2.156 20 0 EEADMM O[C@@]1(C2CC2)CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001607098421 1351417348 /nfs/dbraw/zinc/41/73/48/1351417348.db2.gz NXGFTURRXRFCPB-SFHVURJKSA-N -1 1 336.399 2.156 20 0 EEADMM c1cn(C2CCSCC2)nc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001607119227 1351426458 /nfs/dbraw/zinc/42/64/58/1351426458.db2.gz UGPDWVHJFQTOFL-UHFFFAOYSA-N -1 1 342.432 2.138 20 0 EEADMM c1cn(C2CCSCC2)nc1NCc1ccnc(-c2nn[n-]n2)c1 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EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)ccc1C ZINC001375062224 1377330736 /nfs/dbraw/zinc/33/07/36/1377330736.db2.gz XUHGACDMCVDYCO-CYBMUJFWSA-N -1 1 345.374 2.173 20 0 EEADMM CC[C@H](CNC(=O)C12CCC(CC1)CC2)NC(=O)c1ncccc1[O-] ZINC001375105084 1377374615 /nfs/dbraw/zinc/37/46/15/1377374615.db2.gz ZFDIYSULYAYVLM-SHYRYGCCSA-N -1 1 345.443 2.382 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001390340548 1388587844 /nfs/dbraw/zinc/58/78/44/1388587844.db2.gz JKNAOEGCHVXLOF-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001378316196 1379858568 /nfs/dbraw/zinc/85/85/68/1379858568.db2.gz JGQAUEXTYIXYFA-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001378316184 1379859079 /nfs/dbraw/zinc/85/90/79/1379859079.db2.gz JGQAUEXTYIXYFA-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(F)c1C ZINC001381748937 1381765705 /nfs/dbraw/zinc/76/57/05/1381765705.db2.gz JFEXWRJMZCGZKR-GFCCVEGCSA-N -1 1 349.410 2.036 20 0 EEADMM CCCC1(C(=O)N(C)[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)CC1 ZINC001381773079 1381789354 /nfs/dbraw/zinc/78/93/54/1381789354.db2.gz KHJOUHGPJYXYGP-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1ncccc1[O-] ZINC001383221863 1382399952 /nfs/dbraw/zinc/39/99/52/1382399952.db2.gz BWOBMQIMXGDXPW-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ccccc1)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001383588427 1382579626 /nfs/dbraw/zinc/57/96/26/1382579626.db2.gz NSTUXTSHNIHSCB-OAHLLOKOSA-N -1 1 339.395 2.068 20 0 EEADMM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001387165000 1386543796 /nfs/dbraw/zinc/54/37/96/1386543796.db2.gz HBHYRWAPKNIYAM-OLZOCXBDSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@H](CNC(=O)c1cccc(C)c1F)NC(=O)c1ncccc1[O-] ZINC001388094942 1387182837 /nfs/dbraw/zinc/18/28/37/1387182837.db2.gz NDXQJJCBVIOQPK-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM O=C(CCC1CCCCC1)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001391328389 1389263268 /nfs/dbraw/zinc/26/32/68/1389263268.db2.gz OPFXVVKZMAACHC-HNNXBMFYSA-N -1 1 349.479 2.199 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(C)cc(C)c1 ZINC001394209220 1390649715 /nfs/dbraw/zinc/64/97/15/1390649715.db2.gz ZSDJJPZLFYQZOW-HNNXBMFYSA-N -1 1 345.447 2.206 20 0 EEADMM C[C@@H](CNC(=O)CC(C1CC1)C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001395105035 1390786487 /nfs/dbraw/zinc/78/64/87/1390786487.db2.gz ARSDELNCDJURPU-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)c1ccoc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001395642939 1390849607 /nfs/dbraw/zinc/84/96/07/1390849607.db2.gz CGKUHCOWUIVUQT-GFCCVEGCSA-N -1 1 345.399 2.394 20 0 EEADMM CC(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001396191304 1390920278 /nfs/dbraw/zinc/92/02/78/1390920278.db2.gz JRKJINOYRHFKRI-UHFFFAOYSA-N -1 1 333.432 2.189 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396955638 1390995015 /nfs/dbraw/zinc/99/50/15/1390995015.db2.gz XBBHVSXYCHRUFY-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001397128498 1391098228 /nfs/dbraw/zinc/09/82/28/1391098228.db2.gz UMAFSGBTLZBWFB-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CCCCC(=O)N1CC[C@H](N(CCC)C(=O)c2ncccc2[O-])C1 ZINC001398422398 1392608430 /nfs/dbraw/zinc/60/84/30/1392608430.db2.gz LFWNFZZZGJHFGP-AWEZNQCLSA-N -1 1 333.432 2.431 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC(CCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001401305486 1397140554 /nfs/dbraw/zinc/14/05/54/1397140554.db2.gz CHUCCGHVLKPFCD-CYBMUJFWSA-N -1 1 337.468 2.007 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CCC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001423739281 1400778423 /nfs/dbraw/zinc/77/84/23/1400778423.db2.gz NLJZTOKZWIDQHR-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1nc(CN(C)[C@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001425054790 1401417254 /nfs/dbraw/zinc/41/72/54/1401417254.db2.gz YESWTCYQBRPUTE-SNVBAGLBSA-N -1 1 334.445 2.111 20 0 EEADMM C[C@H]1C[C@H](NC(=O)CCC2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001425617082 1401671811 /nfs/dbraw/zinc/67/18/11/1401671811.db2.gz XSZLFNRSIGZZAB-ZFWWWQNUSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)(C)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001427299812 1402343581 /nfs/dbraw/zinc/34/35/81/1402343581.db2.gz XYYPGCQDZZBSRK-DJJJIMSYSA-N -1 1 345.443 2.192 20 0 EEADMM CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428954111 1402853379 /nfs/dbraw/zinc/85/33/79/1402853379.db2.gz WCVHNFGDUVJVRD-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)c1cccs1 ZINC001433864998 1403440108 /nfs/dbraw/zinc/44/01/08/1403440108.db2.gz IMFIPNRRJFZGLC-NSHDSACASA-N -1 1 345.424 2.031 20 0 EEADMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001576389517 1403571602 /nfs/dbraw/zinc/57/16/02/1403571602.db2.gz TTZVUGIFLPZIKQ-SECBINFHSA-N -1 1 347.425 2.068 20 0 EEADMM CCCC(=O)N[C@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001577211168 1403626404 /nfs/dbraw/zinc/62/64/04/1403626404.db2.gz UOPVPAMVABTIHH-MNOVXSKESA-N -1 1 349.464 2.129 20 0 EEADMM Cc1c(C(=O)NCc2ccc([O-])c(Cl)c2)cccc1-c1nn[nH]n1 ZINC001580543460 1403860995 /nfs/dbraw/zinc/86/09/95/1403860995.db2.gz GQLYDSIONJJCHV-UHFFFAOYSA-N -1 1 343.774 2.464 20 0 EEADMM COc1cc2c(cc1F)CN(c1ccc(C)c(-c3nnn[n-]3)n1)CC2 ZINC001591557187 1403930271 /nfs/dbraw/zinc/93/02/71/1403930271.db2.gz KGMBXOFMXYIDOX-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM COc1cc2c(cc1F)CN(c1ccc(C)c(-c3nn[n-]n3)n1)CC2 ZINC001591557187 1403930280 /nfs/dbraw/zinc/93/02/80/1403930280.db2.gz KGMBXOFMXYIDOX-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM CSCCCN(C)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591700057 1403940479 /nfs/dbraw/zinc/94/04/79/1403940479.db2.gz ZHHIRERCPWGXFV-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CSCCCN(C)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591700057 1403940487 /nfs/dbraw/zinc/94/04/87/1403940487.db2.gz ZHHIRERCPWGXFV-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM Cc1cc(-c2nnco2)ccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001591833663 1403954208 /nfs/dbraw/zinc/95/42/08/1403954208.db2.gz JOALYGORLKAGMH-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1cc(-c2nnco2)ccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001591833663 1403954213 /nfs/dbraw/zinc/95/42/13/1403954213.db2.gz JOALYGORLKAGMH-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC001591894005 1403970159 /nfs/dbraw/zinc/97/01/59/1403970159.db2.gz VTNXTEWIBLAOSA-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC001591894005 1403970169 /nfs/dbraw/zinc/97/01/69/1403970169.db2.gz VTNXTEWIBLAOSA-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)c(C)s1 ZINC001591941639 1403974793 /nfs/dbraw/zinc/97/47/93/1403974793.db2.gz ZMCTXACTNVMMGC-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)c(C)s1 ZINC001591941639 1403974799 /nfs/dbraw/zinc/97/47/99/1403974799.db2.gz ZMCTXACTNVMMGC-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1nsc(NCCCN(C)C(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001592490027 1404700536 /nfs/dbraw/zinc/70/05/36/1404700536.db2.gz LSPBGOVPWZZDFR-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Cc1nsc(NCCc2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC001592491896 1404700927 /nfs/dbraw/zinc/70/09/27/1404700927.db2.gz SFVIMNYZJZTIMT-UHFFFAOYSA-N -1 1 328.401 2.221 20 0 EEADMM Cc1nsc(NCc2ccc3c(=O)cc[nH]c3c2)c1-c1nn[n-]n1 ZINC001592492904 1404701218 /nfs/dbraw/zinc/70/12/18/1404701218.db2.gz CEYZJHOZNCDUKG-UHFFFAOYSA-N -1 1 339.384 2.085 20 0 EEADMM Fc1cccc2c1OCCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592661362 1404706153 /nfs/dbraw/zinc/70/61/53/1404706153.db2.gz QKZGYIXPPVJOHS-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc2c1OCCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592661362 1404706159 /nfs/dbraw/zinc/70/61/59/1404706159.db2.gz QKZGYIXPPVJOHS-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1ccccc1 ZINC001592913398 1404729078 /nfs/dbraw/zinc/72/90/78/1404729078.db2.gz FWLKRJVUBGBHNQ-MRXNPFEDSA-N -1 1 348.410 2.038 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1ccccc1 ZINC001592913398 1404729083 /nfs/dbraw/zinc/72/90/83/1404729083.db2.gz FWLKRJVUBGBHNQ-MRXNPFEDSA-N -1 1 348.410 2.038 20 0 EEADMM Cc1nsc(N2CCC[C@](O)(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC001606145186 1404767610 /nfs/dbraw/zinc/76/76/10/1404767610.db2.gz YTUONJMPVGFDEY-MRXNPFEDSA-N -1 1 342.428 2.120 20 0 EEADMM COC(=O)/C(C)=C\CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001606320047 1404791481 /nfs/dbraw/zinc/79/14/81/1404791481.db2.gz CJBIYMIREXTXJZ-OYVUYXNMSA-N -1 1 327.764 2.183 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000165100603 1405714888 /nfs/dbraw/zinc/71/48/88/1405714888.db2.gz ANHXSQYHFKRUJU-KBXCAEBGSA-N -1 1 345.370 2.496 20 0 EEADMM CC[C@@H](CNC(=O)c1csc2ccccc12)NCc1n[nH]c(=O)[n-]1 ZINC001732209913 1405938175 /nfs/dbraw/zinc/93/81/75/1405938175.db2.gz KEXGBOXETBNDEN-JTQLQIEISA-N -1 1 345.428 2.023 20 0 EEADMM CCCCCCC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001756954728 1409542758 /nfs/dbraw/zinc/54/27/58/1409542758.db2.gz YOVSRNIBSKJLJR-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000319924026 1409855207 /nfs/dbraw/zinc/85/52/07/1409855207.db2.gz ZXLVRFRNFNBLMY-LLVKDONJSA-N -1 1 335.381 2.312 20 0 EEADMM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001772457212 1410197024 /nfs/dbraw/zinc/19/70/24/1410197024.db2.gz DYYMOFQVIRWEDH-CMPLNLGQSA-N -1 1 347.806 2.078 20 0 EEADMM O=C(CSc1n[nH]c(-c2cccnc2)n1)c1ccc([O-])cc1O ZINC000060530539 757609513 /nfs/dbraw/zinc/60/95/13/757609513.db2.gz SQPFWIQZKWPHOO-UHFFFAOYSA-N -1 1 328.353 2.253 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C/C=C\Cl ZINC001087351930 761790271 /nfs/dbraw/zinc/79/02/71/761790271.db2.gz BHOJHHIOWOWMLX-IOFZFTCESA-N -1 1 347.846 2.322 20 0 EEADMM O=C(c1nnc2ccccc2c1O)N1CCCCC[C@H]1c1ncon1 ZINC000184150722 782671630 /nfs/dbraw/zinc/67/16/30/782671630.db2.gz IKDDLWHNBRHSCL-ZDUSSCGKSA-N -1 1 339.355 2.064 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1F)c1nccs1 ZINC000692803439 769736968 /nfs/dbraw/zinc/73/69/68/769736968.db2.gz UGSRMDJDAFZMPT-ZETCQYMHSA-N -1 1 335.813 2.413 20 0 EEADMM COCOc1cccc(Cl)c1Nc1c(N)[nH]c(=S)[n-]c1=O ZINC001214304816 773238780 /nfs/dbraw/zinc/23/87/80/773238780.db2.gz NCAWTBQIVQXXMZ-UHFFFAOYSA-N -1 1 328.781 2.433 20 0 EEADMM CCc1nc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])cs1 ZINC001027841529 773386179 /nfs/dbraw/zinc/38/61/79/773386179.db2.gz HOAFKKIWWTXWRA-ZDUSSCGKSA-N -1 1 346.456 2.201 20 0 EEADMM CCc1nc(C)c(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027844537 773436514 /nfs/dbraw/zinc/43/65/14/773436514.db2.gz URAHFYBDQNICAB-CYBMUJFWSA-N -1 1 344.415 2.040 20 0 EEADMM O=C(NC1CCC(NC(=O)c2ncccc2[O-])CC1)c1ccccc1 ZINC000980012273 773707861 /nfs/dbraw/zinc/70/78/61/773707861.db2.gz CXKNXBQFPGVWMX-UHFFFAOYSA-N -1 1 339.395 2.258 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC000942757468 783144146 /nfs/dbraw/zinc/14/41/46/783144146.db2.gz GHWDZSHXRYOIKJ-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000942758615 783146942 /nfs/dbraw/zinc/14/69/42/783146942.db2.gz PKZNHZKJMYGJTJ-HNNXBMFYSA-N -1 1 339.395 2.164 20 0 EEADMM CCn1c(C2CCN(C(=O)C3(C)CCOCC3)CC2)n[n-]c1=S ZINC000068452375 774562675 /nfs/dbraw/zinc/56/26/75/774562675.db2.gz ZKSAKCVTGUXWBV-UHFFFAOYSA-N -1 1 338.477 2.483 20 0 EEADMM O=C(N[C@@H]1CCCCN(c2cncc(Cl)n2)C1)c1ncccc1[O-] ZINC001063185081 790339053 /nfs/dbraw/zinc/33/90/53/790339053.db2.gz CWHLVUOLGIDTTI-LLVKDONJSA-N -1 1 347.806 2.020 20 0 EEADMM Cc1ccc(NCC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001063273137 790539397 /nfs/dbraw/zinc/53/93/97/790539397.db2.gz ZLOLIRBOQJPRDC-AWEZNQCLSA-N -1 1 341.415 2.240 20 0 EEADMM CC1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)OCCO1 ZINC000181713034 777481560 /nfs/dbraw/zinc/48/15/60/777481560.db2.gz URHIWENIZRYNPU-UHFFFAOYSA-N -1 1 340.228 2.176 20 0 EEADMM CCn1c(CNC(=O)c2cnn(-c3ccccc3C)c2)n[n-]c1=S ZINC000069702902 777502305 /nfs/dbraw/zinc/50/23/05/777502305.db2.gz IPAYVQKUPIBWKF-UHFFFAOYSA-N -1 1 342.428 2.385 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1)c1ncccc1[O-] ZINC000940130563 778138338 /nfs/dbraw/zinc/13/83/38/778138338.db2.gz RMNGTCDNVBWJNI-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940831716 779376345 /nfs/dbraw/zinc/37/63/45/779376345.db2.gz LFXBATOKEGWGIB-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM COc1ncc(C)cc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939975 781033272 /nfs/dbraw/zinc/03/32/72/781033272.db2.gz SUOJAFDEUYDDKW-UHFFFAOYSA-N -1 1 334.312 2.483 20 0 EEADMM Cc1nc(SC(F)F)sc1CC(=O)[N-]OCC(C)(C)O ZINC000839744920 781760186 /nfs/dbraw/zinc/76/01/86/781760186.db2.gz IVZZKSOKEQDWNB-UHFFFAOYSA-N -1 1 326.390 2.127 20 0 EEADMM CCCC[C@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000780559631 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ZINC000651743266 471101626 /nfs/dbraw/zinc/10/16/26/471101626.db2.gz NZNWXALNPWDZEZ-HNNXBMFYSA-N -1 1 343.420 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C[C@H](C)N1C ZINC000652053442 471216651 /nfs/dbraw/zinc/21/66/51/471216651.db2.gz FAZMWRXLRWVAFX-BETUJISGSA-N -1 1 345.472 2.107 20 0 EEADMM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC000669085960 471375010 /nfs/dbraw/zinc/37/50/10/471375010.db2.gz SQZYSSUEKXCAHS-QWHCGFSZSA-N -1 1 348.424 2.026 20 0 EEADMM O=C([O-])C1(C(=O)NCCN2CCc3ccccc3C2)CC2(CCC2)C1 ZINC000659120476 471507629 /nfs/dbraw/zinc/50/76/29/471507629.db2.gz VSRJEKRUNQXFIG-UHFFFAOYSA-N -1 1 342.439 2.196 20 0 EEADMM C[C@H](CNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000655889319 471521734 /nfs/dbraw/zinc/52/17/34/471521734.db2.gz RBMBZCDEZRUEKY-KFWWJZLASA-N -1 1 333.432 2.012 20 0 EEADMM C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC2(CCCCC2)O1 ZINC000655918674 471538626 /nfs/dbraw/zinc/53/86/26/471538626.db2.gz LRUSKZROIPMZNI-ZDUSSCGKSA-N -1 1 341.411 2.487 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])nc2)n[nH]1 ZINC000653289032 471569664 /nfs/dbraw/zinc/56/96/64/471569664.db2.gz HXXNOFIKHZFKSU-CYBMUJFWSA-N -1 1 343.387 2.389 20 0 EEADMM CC(C)C[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)CC(=O)[O-] ZINC000659417212 471617476 /nfs/dbraw/zinc/61/74/76/471617476.db2.gz BOWIYBBHMJCGNK-ZDUSSCGKSA-N -1 1 336.436 2.436 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SC)[C@@H]1CCOC1 ZINC000656614543 471782794 /nfs/dbraw/zinc/78/27/94/471782794.db2.gz JNYBWKDQSYGJIZ-YPMHNXCESA-N -1 1 331.459 2.202 20 0 EEADMM COc1ccc(Cl)c([N-]S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000656619213 471785248 /nfs/dbraw/zinc/78/52/48/471785248.db2.gz LBUHYMSIPJOZBW-YGRLFVJLSA-N -1 1 349.836 2.142 20 0 EEADMM C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1cccc([O-])c1Br ZINC000666177254 472336145 /nfs/dbraw/zinc/33/61/45/472336145.db2.gz QIPGALOOIOFVFO-JQEORGNBSA-N -1 1 325.206 2.384 20 0 EEADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(F)cc1F ZINC000674010787 485611628 /nfs/dbraw/zinc/61/16/28/485611628.db2.gz JVICCBJCEYVLAE-CQSZACIVSA-N -1 1 329.310 2.306 20 0 EEADMM O=c1[n-]nc([C@@H]2CCCN(c3ncnc4cc(F)c(F)cc43)C2)o1 ZINC000670818067 485711127 /nfs/dbraw/zinc/71/11/27/485711127.db2.gz IOCBCLATMUJXOG-MRVPVSSYSA-N -1 1 333.298 2.381 20 0 EEADMM Cc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n[nH]1 ZINC000684050555 485742474 /nfs/dbraw/zinc/74/24/74/485742474.db2.gz CQCBVYNYRZOIDE-UHFFFAOYSA-N -1 1 331.763 2.193 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000675094196 485901127 /nfs/dbraw/zinc/90/11/27/485901127.db2.gz RXVVGQLFAFANHA-UHFFFAOYSA-N -1 1 335.385 2.101 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)c1[O-] ZINC000672169005 486060662 /nfs/dbraw/zinc/06/06/62/486060662.db2.gz BCOWVTDVAGTCCM-UHFFFAOYSA-N -1 1 335.335 2.373 20 0 EEADMM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc([O-])c(F)c1 ZINC000681017978 486114220 /nfs/dbraw/zinc/11/42/20/486114220.db2.gz HOPOQLIFLYEQGW-UHFFFAOYSA-N -1 1 343.402 2.083 20 0 EEADMM O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000681025502 486117310 /nfs/dbraw/zinc/11/73/10/486117310.db2.gz ZHCORMHSPGZQTR-UHFFFAOYSA-N -1 1 337.372 2.125 20 0 EEADMM C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(O)c(Br)c1 ZINC000676055524 486128891 /nfs/dbraw/zinc/12/88/91/486128891.db2.gz CUPGGYJKTQIZII-GFCCVEGCSA-N -1 1 327.222 2.255 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cncc(C)c2)c(F)c1 ZINC000677658757 486471254 /nfs/dbraw/zinc/47/12/54/486471254.db2.gz HAPPVALKRMQZHS-UHFFFAOYSA-N -1 1 328.340 2.155 20 0 EEADMM Cc1nnc2c(N3CCC(C(=O)c4ccc([O-])cc4)CC3)nccn12 ZINC000682466601 486476281 /nfs/dbraw/zinc/47/62/81/486476281.db2.gz UWDLDXGZIXBQKV-UHFFFAOYSA-N -1 1 337.383 2.238 20 0 EEADMM C[C@H](CN(C)C(=O)C=Cc1ccccc1OC(F)F)c1nn[n-]n1 ZINC000183426825 534006630 /nfs/dbraw/zinc/00/66/30/534006630.db2.gz WSQOVGIEOIEKQQ-QROSGCPLSA-N -1 1 337.330 2.076 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c1F ZINC000180020918 534749104 /nfs/dbraw/zinc/74/91/04/534749104.db2.gz WBYCGNADFOAACU-UHFFFAOYSA-N -1 1 339.392 2.483 20 0 EEADMM CCCC1(CNC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CCC1 ZINC000157183920 528044828 /nfs/dbraw/zinc/04/48/28/528044828.db2.gz QLIVFTAHUKTNOX-UHFFFAOYSA-N -1 1 330.432 2.269 20 0 EEADMM CO[C@@H]([C@@H](C)NC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000456596179 536530246 /nfs/dbraw/zinc/53/02/46/536530246.db2.gz NXPJRQAQIYEWKF-YGRLFVJLSA-N -1 1 339.461 2.075 20 0 EEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)C=C2CCC2)c1 ZINC000129771061 528222657 /nfs/dbraw/zinc/22/26/57/528222657.db2.gz PUAZFAUJKJUAEF-UHFFFAOYSA-N -1 1 338.429 2.472 20 0 EEADMM CC(C)[C@H](NC(=O)CN1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000262643195 535079628 /nfs/dbraw/zinc/07/96/28/535079628.db2.gz JINNHKOMIYQZQV-KRWDZBQOSA-N -1 1 336.407 2.436 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)n[nH]2)c1 ZINC000263478095 537062076 /nfs/dbraw/zinc/06/20/76/537062076.db2.gz ZSFSNGBPOHBFBG-GFCCVEGCSA-N -1 1 329.356 2.022 20 0 EEADMM O=C(NCCCSc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738074483 577998439 /nfs/dbraw/zinc/99/84/39/577998439.db2.gz DNGYBAZPDKIFAQ-UHFFFAOYSA-N -1 1 340.412 2.174 20 0 EEADMM O=C(NCCCSc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738074483 577998440 /nfs/dbraw/zinc/99/84/40/577998440.db2.gz DNGYBAZPDKIFAQ-UHFFFAOYSA-N -1 1 340.412 2.174 20 0 EEADMM O=C1CCCN1c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738305955 578008773 /nfs/dbraw/zinc/00/87/73/578008773.db2.gz XCJOZIXMFNRVIU-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=C1CCCN1c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738305955 578008774 /nfs/dbraw/zinc/00/87/74/578008774.db2.gz XCJOZIXMFNRVIU-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc(-c2nn[nH]n2)c1 ZINC000738342116 578010174 /nfs/dbraw/zinc/01/01/74/578010174.db2.gz LGSZQDVYPUSXTJ-UHFFFAOYSA-N -1 1 340.368 2.149 20 0 EEADMM c1cnn(Cc2cccc(CNc3cccc(-c4nnn[n-]4)n3)c2)c1 ZINC000738413817 578013630 /nfs/dbraw/zinc/01/36/30/578013630.db2.gz XWUNTOUGOFKBTF-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cnn(Cc2cccc(CNc3cccc(-c4nn[n-]n4)n3)c2)c1 ZINC000738413817 578013631 /nfs/dbraw/zinc/01/36/31/578013631.db2.gz XWUNTOUGOFKBTF-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc2c(c1)OCO2 ZINC000738435822 578014969 /nfs/dbraw/zinc/01/49/69/578014969.db2.gz AKVFPITVUGXWFU-UHFFFAOYSA-N -1 1 347.338 2.151 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc2c(c1)OCO2 ZINC000738435822 578014970 /nfs/dbraw/zinc/01/49/70/578014970.db2.gz AKVFPITVUGXWFU-UHFFFAOYSA-N -1 1 347.338 2.151 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C2CCC2)CC1 ZINC000738518021 578017914 /nfs/dbraw/zinc/01/79/14/578017914.db2.gz GVICXMXDCCUSGL-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(OCCCN1CCCC1=O)c1ccc(Br)c([O-])c1 ZINC000778826568 575975127 /nfs/dbraw/zinc/97/51/27/575975127.db2.gz BXRKLOYZUWVOMH-UHFFFAOYSA-N -1 1 342.189 2.324 20 0 EEADMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ncccc1[O-])C1CC1 ZINC000725886509 576100873 /nfs/dbraw/zinc/10/08/73/576100873.db2.gz FHLMMQWXHBHQDJ-UHFFFAOYSA-N -1 1 335.404 2.307 20 0 EEADMM CO[C@H](CNCc1cc(C)c(OCC(=O)[O-])c(C)c1)C(F)(F)F ZINC000737736043 576186517 /nfs/dbraw/zinc/18/65/17/576186517.db2.gz XOCIFVXFJVZTEP-GFCCVEGCSA-N -1 1 335.322 2.434 20 0 EEADMM COc1ccc2nc(SCc3noc(CCC(=O)[O-])n3)[nH]c2c1 ZINC000738079580 576425966 /nfs/dbraw/zinc/42/59/66/576425966.db2.gz QXYWVGSHSARZPJ-UHFFFAOYSA-N -1 1 334.357 2.264 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCC(=O)OC(C)(C)C)c(=O)[n-]1 ZINC000730423697 577032405 /nfs/dbraw/zinc/03/24/05/577032405.db2.gz DNKPBCLPIPDFEX-UHFFFAOYSA-N -1 1 342.417 2.030 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC1CCOCC1 ZINC000733008035 577200072 /nfs/dbraw/zinc/20/00/72/577200072.db2.gz AJWWLDPEORIEJC-UHFFFAOYSA-N -1 1 341.429 2.422 20 0 EEADMM Cc1cnc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000771936461 577239902 /nfs/dbraw/zinc/23/99/02/577239902.db2.gz IUENJIPRDWVQPU-UHFFFAOYSA-N -1 1 346.412 2.493 20 0 EEADMM O=C(CCc1ccc(Cl)s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773157235 577319413 /nfs/dbraw/zinc/31/94/13/577319413.db2.gz AMAYJZFIZJSVSF-SECBINFHSA-N -1 1 343.865 2.164 20 0 EEADMM C[C@@H](O)c1ncc(C(=O)Nc2nc(Br)ccc2[O-])s1 ZINC000774093655 577382953 /nfs/dbraw/zinc/38/29/53/577382953.db2.gz BJAMXEDGPYOHOW-RXMQYKEDSA-N -1 1 344.190 2.312 20 0 EEADMM CC(=O)c1ccc(CC(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774924723 577423426 /nfs/dbraw/zinc/42/34/26/577423426.db2.gz UHGQOFNNDTVPRA-UHFFFAOYSA-N -1 1 331.290 2.044 20 0 EEADMM C[C@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000765473731 577501573 /nfs/dbraw/zinc/50/15/73/577501573.db2.gz KEDYFVSHXXBZOL-SECBINFHSA-N -1 1 343.305 2.364 20 0 EEADMM NS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000769741997 577583342 /nfs/dbraw/zinc/58/33/42/577583342.db2.gz ODKLWEMEZJURNB-UHFFFAOYSA-N -1 1 344.751 2.084 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)C[C@H](O)c1ccco1 ZINC000761859057 577690273 /nfs/dbraw/zinc/69/02/73/577690273.db2.gz UGXGGVZVYDSORH-PWSUYJOCSA-N -1 1 333.388 2.449 20 0 EEADMM CCc1ccsc1C(=O)[N-]N1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000763235833 577717447 /nfs/dbraw/zinc/71/74/47/577717447.db2.gz YIJOBBGHNVPLLS-KRWDZBQOSA-N -1 1 343.408 2.423 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2ccccc2C1 ZINC000747358908 577942902 /nfs/dbraw/zinc/94/29/02/577942902.db2.gz LNLLPCBSJKNDQY-CYBMUJFWSA-N -1 1 327.384 2.348 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)CSc2ccc(Cl)nn2)cc1 ZINC000747807032 577950445 /nfs/dbraw/zinc/95/04/45/577950445.db2.gz YVMXYZGFUFMRLV-UHFFFAOYSA-N -1 1 337.788 2.187 20 0 EEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748639707 577965276 /nfs/dbraw/zinc/96/52/76/577965276.db2.gz FZDJWGDENGDDOQ-UHFFFAOYSA-N -1 1 330.409 2.465 20 0 EEADMM Cc1oc(CN2CCCN(Cc3cscn3)CC2)cc1C(=O)[O-] ZINC000738981543 578033475 /nfs/dbraw/zinc/03/34/75/578033475.db2.gz WQKJXYPIUZOXPW-UHFFFAOYSA-N -1 1 335.429 2.451 20 0 EEADMM CCc1ccc(CN(C)C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739541976 578057566 /nfs/dbraw/zinc/05/75/66/578057566.db2.gz KJCCOKZAPKIMFN-KRWDZBQOSA-N -1 1 347.459 2.139 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000739650635 578062592 /nfs/dbraw/zinc/06/25/92/578062592.db2.gz HPXCHIZAIOQMJC-GFCCVEGCSA-N -1 1 331.397 2.109 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000740161369 578083443 /nfs/dbraw/zinc/08/34/43/578083443.db2.gz PBTRJRKTUCUOJK-NVXWUHKLSA-N -1 1 345.399 2.075 20 0 EEADMM Brc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000735368857 578149698 /nfs/dbraw/zinc/14/96/98/578149698.db2.gz NZMHLRUZQDIMEU-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000735368857 578149699 /nfs/dbraw/zinc/14/96/99/578149699.db2.gz NZMHLRUZQDIMEU-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)Nc1ccccc1 ZINC000736136406 578182669 /nfs/dbraw/zinc/18/26/69/578182669.db2.gz GGDCLSWNRMLXJZ-SECBINFHSA-N -1 1 343.778 2.354 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC000736136406 578182670 /nfs/dbraw/zinc/18/26/70/578182670.db2.gz GGDCLSWNRMLXJZ-SECBINFHSA-N -1 1 343.778 2.354 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198014 578186638 /nfs/dbraw/zinc/18/66/38/578186638.db2.gz PEWFYFFOFUITSM-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198014 578186639 /nfs/dbraw/zinc/18/66/39/578186639.db2.gz PEWFYFFOFUITSM-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM CC(C)(C(=O)NOCc1noc(CCCC(=O)[O-])n1)c1ccccc1 ZINC000736223731 578188168 /nfs/dbraw/zinc/18/81/68/578188168.db2.gz KWVDTGRLOBHEML-UHFFFAOYSA-N -1 1 347.371 2.003 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736397486 578200743 /nfs/dbraw/zinc/20/07/43/578200743.db2.gz XARURVRULYMODR-INIZCTEOSA-N -1 1 348.447 2.301 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000736415662 578202139 /nfs/dbraw/zinc/20/21/39/578202139.db2.gz IMDBPFCAPNVZGC-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000736415662 578202140 /nfs/dbraw/zinc/20/21/40/578202140.db2.gz IMDBPFCAPNVZGC-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736475097 578206703 /nfs/dbraw/zinc/20/67/03/578206703.db2.gz SXZJOWCEFRCOCS-UHFFFAOYSA-N -1 1 349.431 2.488 20 0 EEADMM C[C@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N1[C@H](C)CC[C@@H]1C ZINC000736760295 578222162 /nfs/dbraw/zinc/22/21/62/578222162.db2.gz BYGFPHCRSRRKNJ-FRRDWIJNSA-N -1 1 345.399 2.337 20 0 EEADMM CN(C)c1cccc(COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000736779776 578223110 /nfs/dbraw/zinc/22/31/10/578223110.db2.gz LYNDRYZLIODDKT-UHFFFAOYSA-N -1 1 329.385 2.351 20 0 EEADMM C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736822025 578225796 /nfs/dbraw/zinc/22/57/96/578225796.db2.gz KGDIPNQXEZIJDW-QGZVFWFLSA-N -1 1 348.410 2.104 20 0 EEADMM CCCc1nnc([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)[nH]1 ZINC000737050359 578235210 /nfs/dbraw/zinc/23/52/10/578235210.db2.gz HZBMKZAUPSEJRZ-HIFRSBDPSA-N -1 1 348.378 2.096 20 0 EEADMM CCCc1n[nH]c([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)n1 ZINC000737050359 578235211 /nfs/dbraw/zinc/23/52/11/578235211.db2.gz HZBMKZAUPSEJRZ-HIFRSBDPSA-N -1 1 348.378 2.096 20 0 EEADMM COc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737132385 578239981 /nfs/dbraw/zinc/23/99/81/578239981.db2.gz LLMBVKKVQYWJQP-UHFFFAOYSA-N -1 1 333.351 2.239 20 0 EEADMM COc1ccccc1C[C@H](C)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737153205 578241214 /nfs/dbraw/zinc/24/12/14/578241214.db2.gz QWMNJSXQEWHSMX-ZDUSSCGKSA-N -1 1 343.431 2.183 20 0 EEADMM Cc1ccc(N2CCCC2)c(C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000737352350 578252114 /nfs/dbraw/zinc/25/21/14/578252114.db2.gz QRJHMRKYYRKFMV-UHFFFAOYSA-N -1 1 340.431 2.128 20 0 EEADMM Cc1cccc(NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737400628 578255264 /nfs/dbraw/zinc/25/52/64/578255264.db2.gz XTWGLVULVXAWHV-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cccc(NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737400628 578255265 /nfs/dbraw/zinc/25/52/65/578255265.db2.gz XTWGLVULVXAWHV-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737415190 578256266 /nfs/dbraw/zinc/25/62/66/578256266.db2.gz LZPHTJXUZVZZKH-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737415190 578256267 /nfs/dbraw/zinc/25/62/67/578256267.db2.gz LZPHTJXUZVZZKH-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1nn(Cc2ccc3ccccc3c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737521041 578262144 /nfs/dbraw/zinc/26/21/44/578262144.db2.gz HLGVTTGJHJUDNE-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1F ZINC000822267028 607255275 /nfs/dbraw/zinc/25/52/75/607255275.db2.gz MFXPUOQJHREILB-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM COCc1nc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)cs1 ZINC000821696664 599125647 /nfs/dbraw/zinc/12/56/47/599125647.db2.gz LPFRSJUEZCEULG-UHFFFAOYSA-N -1 1 349.445 2.169 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)CCC(=O)[O-] ZINC000817744145 597000964 /nfs/dbraw/zinc/00/09/64/597000964.db2.gz REZBAQOCRXHTNG-QMMMGPOBSA-N -1 1 325.365 2.169 20 0 EEADMM CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000820386919 598188922 /nfs/dbraw/zinc/18/89/22/598188922.db2.gz AHLPLHCRQJDLRI-FUHWJXTLSA-N -1 1 348.443 2.448 20 0 EEADMM CN1CCN(c2ccc(NCc3cccc(C(=O)[O-])c3)nc2)CC1 ZINC000263453171 598200937 /nfs/dbraw/zinc/20/09/37/598200937.db2.gz GVBSGVMXMYYHRP-UHFFFAOYSA-N -1 1 326.400 2.144 20 0 EEADMM Cc1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1C ZINC000049099091 600243689 /nfs/dbraw/zinc/24/36/89/600243689.db2.gz SIXFRFGVPGQTCF-UHFFFAOYSA-N -1 1 326.399 2.188 20 0 EEADMM CC1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000828069174 600849345 /nfs/dbraw/zinc/84/93/45/600849345.db2.gz NAXXLOSTLFCBEY-MRXNPFEDSA-N -1 1 343.427 2.012 20 0 EEADMM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H](C)N(C)C ZINC000827957646 601137024 /nfs/dbraw/zinc/13/70/24/601137024.db2.gz NQPNIJKOJTWJAS-OLZOCXBDSA-N -1 1 345.399 2.413 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000826787778 601328727 /nfs/dbraw/zinc/32/87/27/601328727.db2.gz UOPRTRYWOMYHOO-UAGQMJEPSA-N -1 1 332.444 2.480 20 0 EEADMM CCc1cnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000830299160 601360910 /nfs/dbraw/zinc/36/09/10/601360910.db2.gz LFPOPKURQYHDSR-UHFFFAOYSA-N -1 1 330.362 2.344 20 0 EEADMM COc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000094854446 601491798 /nfs/dbraw/zinc/49/17/98/601491798.db2.gz PUZMBMITXMQXDE-UHFFFAOYSA-N -1 1 331.346 2.395 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC000828442154 601516022 /nfs/dbraw/zinc/51/60/22/601516022.db2.gz XHTPJDIAORULHC-CABZTGNLSA-N -1 1 346.305 2.176 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H]1Cc1ccccc1 ZINC000825977911 601564235 /nfs/dbraw/zinc/56/42/35/601564235.db2.gz RMRQGGQFDPLYKS-YOEHRIQHSA-N -1 1 330.428 2.015 20 0 EEADMM Cc1cc(Br)ccc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000035391389 601823184 /nfs/dbraw/zinc/82/31/84/601823184.db2.gz NDYKQLPLDMLJHF-ZDUSSCGKSA-N -1 1 343.221 2.395 20 0 EEADMM CC[C@@H](C)CN(CC)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828747851 601881527 /nfs/dbraw/zinc/88/15/27/601881527.db2.gz YWSSHZNRGBCYHF-CYBMUJFWSA-N -1 1 347.415 2.479 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCSC[C@H]1CC(=O)[O-] ZINC000828237490 601926699 /nfs/dbraw/zinc/92/66/99/601926699.db2.gz BSSIYYNNISGHNN-QMIVOQANSA-N -1 1 342.505 2.208 20 0 EEADMM C[C@@H](CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824402573 607540810 /nfs/dbraw/zinc/54/08/10/607540810.db2.gz XEXFKUAMMOGAHU-NSHDSACASA-N -1 1 325.376 2.123 20 0 EEADMM C[C@@H](CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824402573 607540811 /nfs/dbraw/zinc/54/08/11/607540811.db2.gz XEXFKUAMMOGAHU-NSHDSACASA-N -1 1 325.376 2.123 20 0 EEADMM COc1cc(F)c(NCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826179725 607550394 /nfs/dbraw/zinc/55/03/94/607550394.db2.gz BKERPVCLLINUOX-UHFFFAOYSA-N -1 1 330.323 2.030 20 0 EEADMM COc1cc(F)c(NCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826179725 607550395 /nfs/dbraw/zinc/55/03/95/607550395.db2.gz BKERPVCLLINUOX-UHFFFAOYSA-N -1 1 330.323 2.030 20 0 EEADMM Cc1nc([C@H]2CCCN(C(=O)c3ccccc3NC(=O)[O-])C2)n[nH]1 ZINC000832997244 602242497 /nfs/dbraw/zinc/24/24/97/602242497.db2.gz UUGLKHRLDQIVGW-NSHDSACASA-N -1 1 329.360 2.223 20 0 EEADMM C[C@@H](CN(Cc1ccccc1)C(=O)CN1CCC(C)CC1)C(=O)[O-] ZINC000828285677 602297455 /nfs/dbraw/zinc/29/74/55/602297455.db2.gz ONPROVCRRZWSQH-INIZCTEOSA-N -1 1 332.444 2.468 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826292769 607573988 /nfs/dbraw/zinc/57/39/88/607573988.db2.gz KVUYTMSIAZGUFV-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826292769 607573989 /nfs/dbraw/zinc/57/39/89/607573989.db2.gz KVUYTMSIAZGUFV-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CCCCC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825265836 607583499 /nfs/dbraw/zinc/58/34/99/607583499.db2.gz BHJQJOIZQMQDJR-SNVBAGLBSA-N -1 1 341.412 2.253 20 0 EEADMM O=C([O-])N1CCC[C@H](NC(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000831583746 603800693 /nfs/dbraw/zinc/80/06/93/603800693.db2.gz GCRYGTBHEGEYSW-IRXDYDNUSA-N -1 1 345.443 2.300 20 0 EEADMM CC(C)C(=O)NCCN(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000833467908 604499145 /nfs/dbraw/zinc/49/91/45/604499145.db2.gz WSUBGXZZJROTRD-UHFFFAOYSA-N -1 1 342.823 2.121 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(F)c1 ZINC000830580571 604673054 /nfs/dbraw/zinc/67/30/54/604673054.db2.gz HZTWDEAZXNPEJO-CABCVRRESA-N -1 1 337.395 2.077 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000831705622 604707790 /nfs/dbraw/zinc/70/77/90/604707790.db2.gz XBIXEEDJNQGOCP-VIFPVBQESA-N -1 1 341.389 2.473 20 0 EEADMM C[C@H](C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C1CC1)C(=O)[O-] ZINC000827450081 604745501 /nfs/dbraw/zinc/74/55/01/604745501.db2.gz RKEUOGDWEJTINY-FZKQIMNGSA-N -1 1 330.428 2.439 20 0 EEADMM O=C([O-])CCc1csc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000833239985 604982461 /nfs/dbraw/zinc/98/24/61/604982461.db2.gz NGXXFTKVTMQOCI-SNVBAGLBSA-N -1 1 335.389 2.083 20 0 EEADMM O=C([O-])[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 ZINC000833166808 604991785 /nfs/dbraw/zinc/99/17/85/604991785.db2.gz UXQQMZZWSRZPOM-CQSZACIVSA-N -1 1 334.759 2.422 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@@H]1C ZINC000833658335 605123281 /nfs/dbraw/zinc/12/32/81/605123281.db2.gz RCZVJNDXAKGZLE-UONOGXRCSA-N -1 1 348.447 2.443 20 0 EEADMM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833466270 605164174 /nfs/dbraw/zinc/16/41/74/605164174.db2.gz CAEPAYNYVBMOLQ-UHFFFAOYSA-N -1 1 348.380 2.419 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(OC)cc2C(=O)[O-])C[C@H]1C ZINC000833658983 605164515 /nfs/dbraw/zinc/16/45/15/605164515.db2.gz XIVLNYKLFWNXTM-NEPJUHHUSA-N -1 1 335.404 2.340 20 0 EEADMM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824392818 607764803 /nfs/dbraw/zinc/76/48/03/607764803.db2.gz OSOUWHRSDDPEBT-RKDXNWHRSA-N -1 1 349.441 2.232 20 0 EEADMM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824392818 607764804 /nfs/dbraw/zinc/76/48/04/607764804.db2.gz OSOUWHRSDDPEBT-RKDXNWHRSA-N -1 1 349.441 2.232 20 0 EEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821455714 606121693 /nfs/dbraw/zinc/12/16/93/606121693.db2.gz LHZSHBWUIPYRCX-AAEUAGOBSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821455714 606121694 /nfs/dbraw/zinc/12/16/94/606121694.db2.gz LHZSHBWUIPYRCX-AAEUAGOBSA-N -1 1 332.433 2.056 20 0 EEADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821034673 606169462 /nfs/dbraw/zinc/16/94/62/606169462.db2.gz RCKYHNZZWLOAEP-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821034673 606169463 /nfs/dbraw/zinc/16/94/63/606169463.db2.gz RCKYHNZZWLOAEP-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM O=C(OCc1cccc2c[nH]nc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823431648 606181027 /nfs/dbraw/zinc/18/10/27/606181027.db2.gz UMRMEJKSHCQZBC-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(OCc1cccc2c[nH]nc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823431648 606181028 /nfs/dbraw/zinc/18/10/28/606181028.db2.gz UMRMEJKSHCQZBC-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccccc2[nH]c1=O ZINC000823294699 606294933 /nfs/dbraw/zinc/29/49/33/606294933.db2.gz NKTPIMQQHNZQOB-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM CCc1cccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821492565 606296125 /nfs/dbraw/zinc/29/61/25/606296125.db2.gz RQMXMWLBPQCQBU-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820907089 606427571 /nfs/dbraw/zinc/42/75/71/606427571.db2.gz AUYZIPWLFCJZKY-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820907089 606427572 /nfs/dbraw/zinc/42/75/72/606427572.db2.gz AUYZIPWLFCJZKY-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)CC(C)C ZINC000821641056 606468524 /nfs/dbraw/zinc/46/85/24/606468524.db2.gz VKLSJKJWFLAQTP-SECBINFHSA-N -1 1 338.799 2.162 20 0 EEADMM COC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)CC(C)C ZINC000821641056 606468525 /nfs/dbraw/zinc/46/85/25/606468525.db2.gz VKLSJKJWFLAQTP-SECBINFHSA-N -1 1 338.799 2.162 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cccc(-c3nnn[n-]3)n2)C12CCCC2 ZINC000821362063 606468533 /nfs/dbraw/zinc/46/85/33/606468533.db2.gz XYNLCOWBFHAVLS-KGLIPLIRSA-N -1 1 328.420 2.436 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cccc(-c3nn[n-]n3)n2)C12CCCC2 ZINC000821362063 606468534 /nfs/dbraw/zinc/46/85/34/606468534.db2.gz XYNLCOWBFHAVLS-KGLIPLIRSA-N -1 1 328.420 2.436 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1c1ccccn1 ZINC000823482822 606534060 /nfs/dbraw/zinc/53/40/60/606534060.db2.gz AFKHQURJTNBSBQ-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1c1ccccn1 ZINC000823482822 606534061 /nfs/dbraw/zinc/53/40/61/606534061.db2.gz AFKHQURJTNBSBQ-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1CC(C)C1 ZINC000822535386 606547646 /nfs/dbraw/zinc/54/76/46/606547646.db2.gz PYTOGCOHQZDZNL-UHFFFAOYSA-N -1 1 326.360 2.087 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1CC(C)C1 ZINC000822535386 606547647 /nfs/dbraw/zinc/54/76/47/606547647.db2.gz PYTOGCOHQZDZNL-UHFFFAOYSA-N -1 1 326.360 2.087 20 0 EEADMM Cc1ccccc1OCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822366844 606552683 /nfs/dbraw/zinc/55/26/83/606552683.db2.gz VPGBVNMTXRRICJ-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM Cc1ccccc1OCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822366844 606552684 /nfs/dbraw/zinc/55/26/84/606552684.db2.gz VPGBVNMTXRRICJ-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823379750 607110255 /nfs/dbraw/zinc/11/02/55/607110255.db2.gz GZKVRLLENHHRMU-VHSXEESVSA-N -1 1 330.348 2.205 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823379750 607110256 /nfs/dbraw/zinc/11/02/56/607110256.db2.gz GZKVRLLENHHRMU-VHSXEESVSA-N -1 1 330.348 2.205 20 0 EEADMM Clc1nsc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1-c1nnn[n-]1 ZINC000826353980 607822048 /nfs/dbraw/zinc/82/20/48/607822048.db2.gz LNOPVEYVBHIZDW-NBEYISGCSA-N -1 1 338.824 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1-c1nn[n-]n1 ZINC000826353980 607822049 /nfs/dbraw/zinc/82/20/49/607822049.db2.gz LNOPVEYVBHIZDW-NBEYISGCSA-N -1 1 338.824 2.346 20 0 EEADMM Fc1cccc(OCc2cnn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826377950 607864653 /nfs/dbraw/zinc/86/46/53/607864653.db2.gz OGZXGOHNJJYTPH-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1cccc(OCc2cnn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826377950 607864654 /nfs/dbraw/zinc/86/46/54/607864654.db2.gz OGZXGOHNJJYTPH-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Cc1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300290 607874860 /nfs/dbraw/zinc/87/48/60/607874860.db2.gz OLKOCTQFXZFPBS-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1cccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300290 607874861 /nfs/dbraw/zinc/87/48/61/607874861.db2.gz OLKOCTQFXZFPBS-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826425941 608073595 /nfs/dbraw/zinc/07/35/95/608073595.db2.gz AIASHWNSJIKBHV-LBPRGKRZSA-N -1 1 343.412 2.172 20 0 EEADMM O=C(N[C@@H](CCCO)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826425941 608073596 /nfs/dbraw/zinc/07/35/96/608073596.db2.gz AIASHWNSJIKBHV-LBPRGKRZSA-N -1 1 343.412 2.172 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=C2CCSCC2)n1 ZINC000824148478 608261593 /nfs/dbraw/zinc/26/15/93/608261593.db2.gz WMYZDGPSMBFQQQ-UHFFFAOYSA-N -1 1 347.448 2.210 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=C2CCSCC2)n1 ZINC000824148478 608261594 /nfs/dbraw/zinc/26/15/94/608261594.db2.gz WMYZDGPSMBFQQQ-UHFFFAOYSA-N -1 1 347.448 2.210 20 0 EEADMM CN(Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825981595 608395490 /nfs/dbraw/zinc/39/54/90/608395490.db2.gz VCVASHFJDCDJOW-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825981595 608395492 /nfs/dbraw/zinc/39/54/92/608395492.db2.gz VCVASHFJDCDJOW-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826236278 608404927 /nfs/dbraw/zinc/40/49/27/608404927.db2.gz FZAVDLOTDQXQBV-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826236278 608404929 /nfs/dbraw/zinc/40/49/29/608404929.db2.gz FZAVDLOTDQXQBV-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ncc(-c2ccccc2)o1 ZINC000824658320 608421182 /nfs/dbraw/zinc/42/11/82/608421182.db2.gz VZSBLLSHRDWODG-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ncc(-c2ccccc2)o1 ZINC000824658320 608421184 /nfs/dbraw/zinc/42/11/84/608421184.db2.gz VZSBLLSHRDWODG-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM Cc1c(Nc2ccc(-c3nnn[n-]3)nn2)cnn1-c1ccccc1F ZINC000826242994 608434609 /nfs/dbraw/zinc/43/46/09/608434609.db2.gz PDEZWECLGAZTFJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2ccc(-c3nn[n-]n3)nn2)cnn1-c1ccccc1F ZINC000826242994 608434611 /nfs/dbraw/zinc/43/46/11/608434611.db2.gz PDEZWECLGAZTFJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM COc1cc(Br)cc(Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826177069 608440704 /nfs/dbraw/zinc/44/07/04/608440704.db2.gz QHNGRTCYDTXTRR-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Br)cc(Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826177069 608440705 /nfs/dbraw/zinc/44/07/05/608440705.db2.gz QHNGRTCYDTXTRR-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM CC(C)(C)[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1cccs1 ZINC000824070747 608893606 /nfs/dbraw/zinc/89/36/06/608893606.db2.gz BPKZATGXHWAIFY-GFCCVEGCSA-N -1 1 345.432 2.028 20 0 EEADMM CC(C)(C)[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1cccs1 ZINC000824070747 608893607 /nfs/dbraw/zinc/89/36/07/608893607.db2.gz BPKZATGXHWAIFY-GFCCVEGCSA-N -1 1 345.432 2.028 20 0 EEADMM CCOc1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825648924 609488981 /nfs/dbraw/zinc/48/89/81/609488981.db2.gz GQINJOGQKDIILU-UHFFFAOYSA-N -1 1 328.401 2.489 20 0 EEADMM CCOc1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825648924 609488982 /nfs/dbraw/zinc/48/89/82/609488982.db2.gz GQINJOGQKDIILU-UHFFFAOYSA-N -1 1 328.401 2.489 20 0 EEADMM Clc1cc(CSCCNc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC000826350702 609489246 /nfs/dbraw/zinc/48/92/46/609489246.db2.gz HQVAQKSRPPJPRY-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1cc(CSCCNc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC000826350702 609489248 /nfs/dbraw/zinc/48/92/48/609489248.db2.gz HQVAQKSRPPJPRY-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM CC(C)c1ocnc1CN(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971395558 676521358 /nfs/dbraw/zinc/52/13/58/676521358.db2.gz WUQBJUFVFQAGMB-ZDUSSCGKSA-N -1 1 344.415 2.245 20 0 EEADMM COc1ccc(-c2ccc(C(=O)Nc3nnn[n-]3)c(F)c2)c(F)c1 ZINC000071885999 676561906 /nfs/dbraw/zinc/56/19/06/676561906.db2.gz RWBMDQNZYBKZHG-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1ccc(-c2ccc(C(=O)Nc3nn[n-]n3)c(F)c2)c(F)c1 ZINC000071885999 676561907 /nfs/dbraw/zinc/56/19/07/676561907.db2.gz RWBMDQNZYBKZHG-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc2c(c1)CCOC2 ZINC000891616535 676724025 /nfs/dbraw/zinc/72/40/25/676724025.db2.gz YPMJOXUVFVDRCL-UHFFFAOYSA-N -1 1 325.368 2.386 20 0 EEADMM CC(C)Oc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n1 ZINC000891620817 676729927 /nfs/dbraw/zinc/72/99/27/676729927.db2.gz CQJDFHQLGZADFX-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM COCc1nc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc(=O)[n-]1 ZINC000891719531 676800794 /nfs/dbraw/zinc/80/07/94/676800794.db2.gz ZDXHWUBTALYUSE-UHFFFAOYSA-N -1 1 344.415 2.329 20 0 EEADMM CC1(C)CO[C@@H](C[N@H+]2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])C1 ZINC001024406892 679891447 /nfs/dbraw/zinc/89/14/47/679891447.db2.gz HNELKGHSJXVQTP-HUUCEWRRSA-N -1 1 347.459 2.187 20 0 EEADMM Cc1nc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])c(C)o1 ZINC001024407919 679891758 /nfs/dbraw/zinc/89/17/58/679891758.db2.gz TVQJSIFZPDLCTD-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cc[nH]n2)cc1 ZINC000066052308 681324026 /nfs/dbraw/zinc/32/40/26/681324026.db2.gz WJGJAPMXPPMUPS-UHFFFAOYSA-N -1 1 344.400 2.368 20 0 EEADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC2(C1)OCCO2 ZINC000161640494 681455092 /nfs/dbraw/zinc/45/50/92/681455092.db2.gz OVOINLBZOZRTLC-UHFFFAOYSA-N -1 1 342.189 2.134 20 0 EEADMM CC(C)(C)C(C)(C)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025041913 681819840 /nfs/dbraw/zinc/81/98/40/681819840.db2.gz PGGOUNWFNHZHJH-LBPRGKRZSA-N -1 1 337.468 2.053 20 0 EEADMM CN(c1ccccc1NC(=O)Cc1sc(N)nc1[O-])C1CCCC1 ZINC000162457455 682016423 /nfs/dbraw/zinc/01/64/23/682016423.db2.gz YNOFAOUDWBDNNV-CQSZACIVSA-N -1 1 346.456 2.351 20 0 EEADMM CC(C)(C)C1CC(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000973200011 682297578 /nfs/dbraw/zinc/29/75/78/682297578.db2.gz VVKOAECWDPNATD-XTWLIDDBSA-N -1 1 345.443 2.237 20 0 EEADMM CCc1cc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)nc(CC)n1 ZINC000895039095 683484353 /nfs/dbraw/zinc/48/43/53/683484353.db2.gz QUSHMDLZLDEBCB-CQSZACIVSA-N -1 1 330.354 2.249 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2CC[C@H](Nc3cccc(F)n3)[C@H]2C1 ZINC001060523172 684049132 /nfs/dbraw/zinc/04/91/32/684049132.db2.gz KKRFQRZFODPPLC-AVGNSLFASA-N -1 1 342.374 2.284 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057371 684270379 /nfs/dbraw/zinc/27/03/79/684270379.db2.gz PPTQMDUSAYTMEP-XQLPTFJDSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)(C)C1CC(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000974057031 684270630 /nfs/dbraw/zinc/27/06/30/684270630.db2.gz VVKOAECWDPNATD-LLZFXZEUSA-N -1 1 345.443 2.237 20 0 EEADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000978743028 693864765 /nfs/dbraw/zinc/86/47/65/693864765.db2.gz QEUFYUAGFNIRJS-OTVXOJSOSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909556009 685693343 /nfs/dbraw/zinc/69/33/43/685693343.db2.gz JFUDFVFNIZEUFV-AWEZNQCLSA-N -1 1 343.383 2.385 20 0 EEADMM CC(C)[C@H](C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515065 686276096 /nfs/dbraw/zinc/27/60/96/686276096.db2.gz QQKDIEWLBIWWLP-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516817 686287438 /nfs/dbraw/zinc/28/74/38/686287438.db2.gz VVYRCKRWHBTKOK-KGLIPLIRSA-N -1 1 333.432 2.048 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975227515 686320999 /nfs/dbraw/zinc/32/09/99/686320999.db2.gz SYIFCMQIZQMAPE-RRFJBIMHSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228408 686322232 /nfs/dbraw/zinc/32/22/32/686322232.db2.gz WUBGEKCLYSMIPR-LBPRGKRZSA-N -1 1 335.379 2.019 20 0 EEADMM O=C(NC1CN(C(=O)c2ccc3c(c2)C=CCC3)C1)c1ncccc1[O-] ZINC000990970081 694133998 /nfs/dbraw/zinc/13/39/98/694133998.db2.gz UJWQSTWHXOEQKL-UHFFFAOYSA-N -1 1 349.390 2.001 20 0 EEADMM Cc1c(Cl)cccc1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990979087 694139370 /nfs/dbraw/zinc/13/93/70/694139370.db2.gz SLFVKVPXLZEBPV-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)N2CCC(CN(C)Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001029988940 688976029 /nfs/dbraw/zinc/97/60/29/688976029.db2.gz GGBTURVMGXBRJK-ZFWWWQNUSA-N -1 1 349.479 2.007 20 0 EEADMM CC(C)(F)C(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987004891 689212157 /nfs/dbraw/zinc/21/21/57/689212157.db2.gz WAUPSNIPQJPCDE-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979207976 694284150 /nfs/dbraw/zinc/28/41/50/694284150.db2.gz YGPOOOFGSMIZIA-XQLPTFJDSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)CC2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000987254163 689536544 /nfs/dbraw/zinc/53/65/44/689536544.db2.gz HRDSJPPRFBECSR-OCCSQVGLSA-N -1 1 331.416 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EEADMM CCOC(=O)CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609233562 1351903577 /nfs/dbraw/zinc/90/35/77/1351903577.db2.gz KLKXYAMSFZXEOH-UHFFFAOYSA-N -1 1 340.343 2.029 20 0 EEADMM CCOC(=O)CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609233562 1351903578 /nfs/dbraw/zinc/90/35/78/1351903578.db2.gz KLKXYAMSFZXEOH-UHFFFAOYSA-N -1 1 340.343 2.029 20 0 EEADMM CCSc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)cn1 ZINC001609248627 1351908444 /nfs/dbraw/zinc/90/84/44/1351908444.db2.gz KHTQZXHHWYPIPZ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM CCSc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)cn1 ZINC001609248627 1351908446 /nfs/dbraw/zinc/90/84/46/1351908446.db2.gz KHTQZXHHWYPIPZ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC001609238493 1351904865 /nfs/dbraw/zinc/90/48/65/1351904865.db2.gz MSLLHPGXTRZQDR-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC001609238493 1351904868 /nfs/dbraw/zinc/90/48/68/1351904868.db2.gz MSLLHPGXTRZQDR-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CCOc1cc(C(=O)[N-]c2sc(C)c(C)c2-c2nn[nH]n2)on1 ZINC001609242940 1351906759 /nfs/dbraw/zinc/90/67/59/1351906759.db2.gz UAJBLWXVERJTSD-UHFFFAOYSA-N -1 1 334.361 2.184 20 0 EEADMM CCc1nc(C)c(CNc2nc(Cl)c(-c3nnn[n-]3)s2)o1 ZINC001609254682 1351911473 /nfs/dbraw/zinc/91/14/73/1351911473.db2.gz VHQXJTSLBKLVPG-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1nc(C)c(CNc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001609254682 1351911476 /nfs/dbraw/zinc/91/14/76/1351911476.db2.gz VHQXJTSLBKLVPG-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1noc(C)c1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609256276 1351912428 /nfs/dbraw/zinc/91/24/28/1351912428.db2.gz WHWPLIYTEHIPHH-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1noc(C)c1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609256276 1351912430 /nfs/dbraw/zinc/91/24/30/1351912430.db2.gz WHWPLIYTEHIPHH-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1cc(=O)[n-]c(SCCOc2cccc(-c3nn[nH]n3)c2)n1 ZINC001609250945 1351909083 /nfs/dbraw/zinc/90/90/83/1351909083.db2.gz KMUQNINXZHZWFW-UHFFFAOYSA-N -1 1 344.400 2.096 20 0 EEADMM COc1ccc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)cc1F ZINC001609354544 1351943793 /nfs/dbraw/zinc/94/37/93/1351943793.db2.gz PHMVOTIBLUAHPU-UHFFFAOYSA-N -1 1 328.351 2.372 20 0 EEADMM COc1ccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)cc1F ZINC001609354544 1351943796 /nfs/dbraw/zinc/94/37/96/1351943796.db2.gz PHMVOTIBLUAHPU-UHFFFAOYSA-N -1 1 328.351 2.372 20 0 EEADMM Cc1cccc(OCCCNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC001609433727 1351975237 /nfs/dbraw/zinc/97/52/37/1351975237.db2.gz WGRLHDUZWJPSQT-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1cccc(OCCCNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC001609433727 1351975240 /nfs/dbraw/zinc/97/52/40/1351975240.db2.gz WGRLHDUZWJPSQT-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1cnc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C2CC2)s1 ZINC001609441276 1351978269 /nfs/dbraw/zinc/97/82/69/1351978269.db2.gz WQRMYQXZQARGTK-LLVKDONJSA-N -1 1 330.373 2.106 20 0 EEADMM Cc1cnc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C2CC2)s1 ZINC001609441276 1351978271 /nfs/dbraw/zinc/97/82/71/1351978271.db2.gz WQRMYQXZQARGTK-LLVKDONJSA-N -1 1 330.373 2.106 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC001609465602 1351987838 /nfs/dbraw/zinc/98/78/38/1351987838.db2.gz WSGGGZDZGUTFLK-QMMMGPOBSA-N -1 1 333.377 2.450 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001609465602 1351987842 /nfs/dbraw/zinc/98/78/42/1351987842.db2.gz WSGGGZDZGUTFLK-QMMMGPOBSA-N -1 1 333.377 2.450 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC001609468187 1351988604 /nfs/dbraw/zinc/98/86/04/1351988604.db2.gz JOKWQXLCBMPIGH-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC001609468187 1351988606 /nfs/dbraw/zinc/98/86/06/1351988606.db2.gz JOKWQXLCBMPIGH-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)CCC1CCCC1 ZINC001609468059 1351988755 /nfs/dbraw/zinc/98/87/55/1351988755.db2.gz FFFZYOMNLNWQRQ-UHFFFAOYSA-N -1 1 332.360 2.464 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)CCC1CCCC1 ZINC001609468059 1351988757 /nfs/dbraw/zinc/98/87/57/1351988757.db2.gz FFFZYOMNLNWQRQ-UHFFFAOYSA-N -1 1 332.360 2.464 20 0 EEADMM Cc1onc(CC(=O)NCC2(C)CCC(C)CC2)c1-c1nnn[n-]1 ZINC001609471043 1351989808 /nfs/dbraw/zinc/98/98/08/1351989808.db2.gz MAZWHOBYHXFISL-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC2(C)CCC(C)CC2)c1-c1nn[n-]n1 ZINC001609471043 1351989809 /nfs/dbraw/zinc/98/98/09/1351989809.db2.gz MAZWHOBYHXFISL-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001609486174 1351994782 /nfs/dbraw/zinc/99/47/82/1351994782.db2.gz IWFPYCCBHAXKKN-ZJUUUORDSA-N -1 1 345.313 2.226 20 0 EEADMM FC(F)Oc1ccccc1[C@H]1C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001609486174 1351994784 /nfs/dbraw/zinc/99/47/84/1351994784.db2.gz IWFPYCCBHAXKKN-ZJUUUORDSA-N -1 1 345.313 2.226 20 0 EEADMM O=C(Nc1cnc2c(c1)CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001609569352 1352019444 /nfs/dbraw/zinc/01/94/44/1352019444.db2.gz NLRATRZRMJSGDF-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM c1ccc2c(c1)CO[C@]21CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609613305 1352038107 /nfs/dbraw/zinc/03/81/07/1352038107.db2.gz XYKHAEYCGNPUFY-SFHVURJKSA-N -1 1 334.383 2.288 20 0 EEADMM c1ccc2c(c1)CO[C@]21CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609613305 1352038111 /nfs/dbraw/zinc/03/81/11/1352038111.db2.gz XYKHAEYCGNPUFY-SFHVURJKSA-N -1 1 334.383 2.288 20 0 EEADMM C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001609752971 1352076697 /nfs/dbraw/zinc/07/66/97/1352076697.db2.gz ZBIZGOACNPEQNI-NEPJUHHUSA-N -1 1 341.367 2.427 20 0 EEADMM C[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@H](C2CC2)O1 ZINC001338182458 1336811138 /nfs/dbraw/zinc/81/11/38/1336811138.db2.gz VTNJMHUOXLCESW-TVQRCGJNSA-N -1 1 349.822 2.240 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC001609911479 1352117941 /nfs/dbraw/zinc/11/79/41/1352117941.db2.gz VROJWYYFNQHVOO-AWEZNQCLSA-N -1 1 348.443 2.485 20 0 EEADMM CC[C@@H]1CN(CC)CCN1CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001609946190 1352126321 /nfs/dbraw/zinc/12/63/21/1352126321.db2.gz HFWFGBGQSVNVAT-CQSZACIVSA-N -1 1 343.427 2.465 20 0 EEADMM CCCc1c(C(=O)NCc2n[nH]c(C(C)C)n2)[nH]c(C)c1C(=O)[O-] ZINC001609984630 1352134525 /nfs/dbraw/zinc/13/45/25/1352134525.db2.gz UCRQRDKDSZPZTK-UHFFFAOYSA-N -1 1 333.392 2.145 20 0 EEADMM CCc1ccccc1NC(=O)CN[C@H](C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001610069902 1352155018 /nfs/dbraw/zinc/15/50/18/1352155018.db2.gz GVDOMDIYJNGSKM-DAYGRLMNSA-N -1 1 348.443 2.436 20 0 EEADMM COC(=O)c1cc(CN2CCC[C@H](n3ccnc3)C2)cc(C(=O)[O-])c1 ZINC001610196411 1352183337 /nfs/dbraw/zinc/18/33/37/1352183337.db2.gz GHRWCKBOGRFVFU-INIZCTEOSA-N -1 1 343.383 2.205 20 0 EEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCCCCC2)cc(C(=O)[O-])c1 ZINC001610201569 1352184729 /nfs/dbraw/zinc/18/47/29/1352184729.db2.gz MHGSCWBVUFKPRB-LBPRGKRZSA-N -1 1 348.399 2.374 20 0 EEADMM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCOc3ccccc3C2)c1 ZINC001610218392 1352189021 /nfs/dbraw/zinc/18/90/21/1352189021.db2.gz NWCSFVWMEWITGM-QGZVFWFLSA-N -1 1 341.363 2.494 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NCC(=O)N(C)[C@@H](C)CC(C)C)C(=O)[O-])C1 ZINC001610234478 1352191678 /nfs/dbraw/zinc/19/16/78/1352191678.db2.gz KDDVXRKEAHUFOQ-MPTYRVRUSA-N -1 1 342.480 2.127 20 0 EEADMM CO[C@@H]1CCN(Cc2cccc(O)c2Br)[C@H](C(=O)[O-])C1 ZINC001610238729 1352192719 /nfs/dbraw/zinc/19/27/19/1352192719.db2.gz YOWMNBNMRUKECZ-MNOVXSKESA-N -1 1 344.205 2.219 20 0 EEADMM Cc1cc(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n[nH]1 ZINC001610459536 1352226383 /nfs/dbraw/zinc/22/63/83/1352226383.db2.gz MQDMZHFLOIUFAU-INIZCTEOSA-N -1 1 348.834 2.315 20 0 EEADMM Cc1nc([C@@H]2CCN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)C2)n[nH]1 ZINC001610554347 1352243699 /nfs/dbraw/zinc/24/36/99/1352243699.db2.gz AMPHBUBFHISKFW-MRVPVSSYSA-N -1 1 341.293 2.219 20 0 EEADMM Cc1nnc([C@@H]2CCN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)C2)[nH]1 ZINC001610554347 1352243701 /nfs/dbraw/zinc/24/37/01/1352243701.db2.gz AMPHBUBFHISKFW-MRVPVSSYSA-N -1 1 341.293 2.219 20 0 EEADMM Cc1noc([C@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001610576718 1352247704 /nfs/dbraw/zinc/24/77/04/1352247704.db2.gz FPWOJVORADMFPX-ZDUSSCGKSA-N -1 1 341.371 2.263 20 0 EEADMM Cc1oc(CN2CCC(c3nnc4n3CCC4)CC2)cc1C(=O)[O-] ZINC001610583213 1352248801 /nfs/dbraw/zinc/24/88/01/1352248801.db2.gz ZIVSYXAVMYYDBB-UHFFFAOYSA-N -1 1 330.388 2.204 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC001610663701 1352258414 /nfs/dbraw/zinc/25/84/14/1352258414.db2.gz JKKJNCZQDIYZNP-CABCVRRESA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])COc1cccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC001610787895 1352274694 /nfs/dbraw/zinc/27/46/94/1352274694.db2.gz OSMCWGZQGZKNDK-UHFFFAOYSA-N -1 1 329.287 2.418 20 0 EEADMM O=C(CCCC1CC1)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001428771184 1339677788 /nfs/dbraw/zinc/67/77/88/1339677788.db2.gz USIWXCHIMAIDQU-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM O=C([O-])c1ccc(-c2nc(CN(CCO)C3CCOCC3)co2)cc1 ZINC001610818015 1352279842 /nfs/dbraw/zinc/27/98/42/1352279842.db2.gz CFECUHYCPSAZJM-UHFFFAOYSA-N -1 1 346.383 2.013 20 0 EEADMM CC(=O)Nc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cn1 ZINC001618249541 1352348724 /nfs/dbraw/zinc/34/87/24/1352348724.db2.gz LIENSQVYOSUDTM-UHFFFAOYSA-N -1 1 336.351 2.224 20 0 EEADMM Cc1cc(C)cc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001432960926 1341446491 /nfs/dbraw/zinc/44/64/91/1341446491.db2.gz FJPQYAOUIXIEOZ-AWEZNQCLSA-N -1 1 341.411 2.200 20 0 EEADMM C[C@H](CNC(=O)CC(C1CC1)C1CC1)CNC(=O)c1ncccc1[O-] ZINC001432961152 1341446493 /nfs/dbraw/zinc/44/64/93/1341446493.db2.gz MKQIPRCFXGJYGH-GFCCVEGCSA-N -1 1 345.443 2.096 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001433215012 1341539768 /nfs/dbraw/zinc/53/97/68/1341539768.db2.gz ILCCNWMSTOKSJU-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM CO[C@@H]1CCCCN(CC(=O)Nc2ccc([O-])c(Cl)c2)C1=O ZINC001552119018 1342333106 /nfs/dbraw/zinc/33/31/06/1342333106.db2.gz TUONZYAADSJFSK-CYBMUJFWSA-N -1 1 326.780 2.012 20 0 EEADMM O=C([C@H](Cc1ccccc1)C1CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001553575111 1342350596 /nfs/dbraw/zinc/35/05/96/1342350596.db2.gz OFWNWKDEIWYNEX-JKSUJKDBSA-N -1 1 325.416 2.175 20 0 EEADMM COc1cnc(CNC(=O)[C@@H](C)Cn2ccc3ccccc32)[n-]c1=O ZINC001554042967 1342394182 /nfs/dbraw/zinc/39/41/82/1342394182.db2.gz UUKZCZOJVFJEFX-LBPRGKRZSA-N -1 1 340.383 2.098 20 0 EEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnc2n1CCC2 ZINC001558968722 1342493643 /nfs/dbraw/zinc/49/36/43/1342493643.db2.gz BDFZJLJUKZBRJI-UHFFFAOYSA-N -1 1 344.762 2.226 20 0 EEADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnc2n1CCC2 ZINC001558968722 1342493648 /nfs/dbraw/zinc/49/36/48/1342493648.db2.gz BDFZJLJUKZBRJI-UHFFFAOYSA-N -1 1 344.762 2.226 20 0 EEADMM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001576398032 1344009982 /nfs/dbraw/zinc/00/99/82/1344009982.db2.gz BKHZDIDNJGLXSJ-LLVKDONJSA-N -1 1 335.371 2.413 20 0 EEADMM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001576398032 1344009987 /nfs/dbraw/zinc/00/99/87/1344009987.db2.gz BKHZDIDNJGLXSJ-LLVKDONJSA-N -1 1 335.371 2.413 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C)c(OC)c1 ZINC001579935427 1344436064 /nfs/dbraw/zinc/43/60/64/1344436064.db2.gz YGRUOVLVYUIKIP-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C)c(OC)c1 ZINC001579935427 1344436066 /nfs/dbraw/zinc/43/60/66/1344436066.db2.gz YGRUOVLVYUIKIP-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM Cc1cc(F)ccc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001580937745 1344574197 /nfs/dbraw/zinc/57/41/97/1344574197.db2.gz KDRLKBTZVVHPQZ-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)ccc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001580937745 1344574202 /nfs/dbraw/zinc/57/42/02/1344574202.db2.gz KDRLKBTZVVHPQZ-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC001581683589 1344653606 /nfs/dbraw/zinc/65/36/06/1344653606.db2.gz DZXXXAJRHJFMBW-QMMMGPOBSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC001581683589 1344653611 /nfs/dbraw/zinc/65/36/11/1344653611.db2.gz DZXXXAJRHJFMBW-QMMMGPOBSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)c1-c1nn[n-]n1 ZINC001581697403 1344654887 /nfs/dbraw/zinc/65/48/87/1344654887.db2.gz JJEFLLBWAMSDEO-KOLCDFICSA-N -1 1 349.464 2.079 20 0 EEADMM Clc1sc(N[C@@H]2C[C@H]2C2CCOCC2)nc1-c1nn[n-]n1 ZINC001581746823 1344659862 /nfs/dbraw/zinc/65/98/62/1344659862.db2.gz NPAIMGDEHSUGOI-JGVFFNPUSA-N -1 1 326.813 2.204 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001582301851 1344726639 /nfs/dbraw/zinc/72/66/39/1344726639.db2.gz WORCWCWWYCEADT-ZDUSSCGKSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001582301851 1344726640 /nfs/dbraw/zinc/72/66/40/1344726640.db2.gz WORCWCWWYCEADT-ZDUSSCGKSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCc1ccc(F)cc1 ZINC001582552153 1344761316 /nfs/dbraw/zinc/76/13/16/1344761316.db2.gz KXQDKPYKRVKRAS-UHFFFAOYSA-N -1 1 332.364 2.067 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(SC2CC2)cc1 ZINC001582650323 1344777451 /nfs/dbraw/zinc/77/74/51/1344777451.db2.gz PFJWSHABUTUBJI-UHFFFAOYSA-N -1 1 327.373 2.097 20 0 EEADMM O=c1cc(C(F)(F)F)ccn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001582806393 1344794618 /nfs/dbraw/zinc/79/46/18/1344794618.db2.gz AYPGXLRSMDWAJU-UHFFFAOYSA-N -1 1 327.291 2.157 20 0 EEADMM Brc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001588320127 1348884476 /nfs/dbraw/zinc/88/44/76/1348884476.db2.gz AZWFGGLKHGIHSH-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001588320127 1348884483 /nfs/dbraw/zinc/88/44/83/1348884483.db2.gz AZWFGGLKHGIHSH-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589193140 1348967625 /nfs/dbraw/zinc/96/76/25/1348967625.db2.gz ISEFSVFGPDUEGJ-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589193140 1348967627 /nfs/dbraw/zinc/96/76/27/1348967627.db2.gz ISEFSVFGPDUEGJ-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1ncncc1-c1nn[n-]n1 ZINC001589232277 1348972345 /nfs/dbraw/zinc/97/23/45/1348972345.db2.gz OGOCQFPJOOWKGM-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589520879 1349000285 /nfs/dbraw/zinc/00/02/85/1349000285.db2.gz KBILGDODGGVFBI-IUODEOHRSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589520879 1349000290 /nfs/dbraw/zinc/00/02/90/1349000290.db2.gz KBILGDODGGVFBI-IUODEOHRSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)OC1CCC(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589739037 1349026460 /nfs/dbraw/zinc/02/64/60/1349026460.db2.gz DOHPGBCDNGDXOS-UHFFFAOYSA-N -1 1 345.407 2.119 20 0 EEADMM CC(C)OC1CCC(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589739037 1349026465 /nfs/dbraw/zinc/02/64/65/1349026465.db2.gz DOHPGBCDNGDXOS-UHFFFAOYSA-N -1 1 345.407 2.119 20 0 EEADMM CC(C)[C@H](NCc1csc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001589765922 1349034378 /nfs/dbraw/zinc/03/43/78/1349034378.db2.gz PLBMOUNCMWTJGD-LBPRGKRZSA-N -1 1 337.449 2.384 20 0 EEADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC001589794510 1349043874 /nfs/dbraw/zinc/04/38/74/1349043874.db2.gz QPSCMSKFEMQWQK-VIFPVBQESA-N -1 1 345.794 2.451 20 0 EEADMM C[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC001589794510 1349043879 /nfs/dbraw/zinc/04/38/79/1349043879.db2.gz QPSCMSKFEMQWQK-VIFPVBQESA-N -1 1 345.794 2.451 20 0 EEADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589796534 1349045123 /nfs/dbraw/zinc/04/51/23/1349045123.db2.gz WIZJPAFAZCRBEA-SNVBAGLBSA-N -1 1 341.396 2.320 20 0 EEADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589796534 1349045129 /nfs/dbraw/zinc/04/51/29/1349045129.db2.gz WIZJPAFAZCRBEA-SNVBAGLBSA-N -1 1 341.396 2.320 20 0 EEADMM C[C@@](Cc1ccccc1)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589899577 1349057257 /nfs/dbraw/zinc/05/72/57/1349057257.db2.gz LINMYEPLTVWFDY-IBGZPJMESA-N -1 1 348.410 2.403 20 0 EEADMM C[C@@](Cc1ccccc1)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589899577 1349057260 /nfs/dbraw/zinc/05/72/60/1349057260.db2.gz LINMYEPLTVWFDY-IBGZPJMESA-N -1 1 348.410 2.403 20 0 EEADMM C[C@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C1CC1)C(F)(F)F ZINC001589944951 1349072198 /nfs/dbraw/zinc/07/21/98/1349072198.db2.gz ZFHNFUGDXOGFBT-NSHDSACASA-N -1 1 331.323 2.389 20 0 EEADMM C[C@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C1CC1)C(F)(F)F ZINC001589944951 1349072203 /nfs/dbraw/zinc/07/22/03/1349072203.db2.gz ZFHNFUGDXOGFBT-NSHDSACASA-N -1 1 331.323 2.389 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cn1 ZINC001589986149 1349094879 /nfs/dbraw/zinc/09/48/79/1349094879.db2.gz YRYUCEKZUZUZBQ-QMMMGPOBSA-N -1 1 346.192 2.014 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cn1 ZINC001589986149 1349094883 /nfs/dbraw/zinc/09/48/83/1349094883.db2.gz YRYUCEKZUZUZBQ-QMMMGPOBSA-N -1 1 346.192 2.014 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001590103908 1349158497 /nfs/dbraw/zinc/15/84/97/1349158497.db2.gz LTNIHYLZFHFNOY-HNNXBMFYSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001590103908 1349158500 /nfs/dbraw/zinc/15/85/00/1349158500.db2.gz LTNIHYLZFHFNOY-HNNXBMFYSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(c2ccccc2)CN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590152568 1349176003 /nfs/dbraw/zinc/17/60/03/1349176003.db2.gz DKWMNVCFAJAXDE-UHFFFAOYSA-N -1 1 325.397 2.342 20 0 EEADMM CC1(c2ccccc2)CN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590152568 1349176012 /nfs/dbraw/zinc/17/60/12/1349176012.db2.gz DKWMNVCFAJAXDE-UHFFFAOYSA-N -1 1 325.397 2.342 20 0 EEADMM C[C@]12CCN(c3cccnc3-c3nnn[n-]3)C[C@H]1C2(Cl)Cl ZINC001590154997 1349177822 /nfs/dbraw/zinc/17/78/22/1349177822.db2.gz GBXCNPWLSIJTBE-SKDRFNHKSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@]12CCN(c3cccnc3-c3nn[n-]n3)C[C@H]1C2(Cl)Cl ZINC001590154997 1349177834 /nfs/dbraw/zinc/17/78/34/1349177834.db2.gz GBXCNPWLSIJTBE-SKDRFNHKSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@H]1CCC[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590247326 1349225613 /nfs/dbraw/zinc/22/56/13/1349225613.db2.gz JNWIDGSWGHZGOI-NTSWFWBYSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590250541 1349226553 /nfs/dbraw/zinc/22/65/53/1349226553.db2.gz FPFZNRIEQQCSHU-NXEZZACHSA-N -1 1 334.811 2.471 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](c2ccsc2)O1 ZINC001590308677 1349256473 /nfs/dbraw/zinc/25/64/73/1349256473.db2.gz IAHGKNKYLIHVRO-SKDRFNHKSA-N -1 1 348.457 2.347 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](c2ccsc2)O1 ZINC001590308677 1349256475 /nfs/dbraw/zinc/25/64/75/1349256475.db2.gz IAHGKNKYLIHVRO-SKDRFNHKSA-N -1 1 348.457 2.347 20 0 EEADMM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590450667 1349331784 /nfs/dbraw/zinc/33/17/84/1349331784.db2.gz SABPBKDXLPBCGW-GFCCVEGCSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590450667 1349331792 /nfs/dbraw/zinc/33/17/92/1349331792.db2.gz SABPBKDXLPBCGW-GFCCVEGCSA-N -1 1 325.376 2.106 20 0 EEADMM CCO[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001590785762 1349399158 /nfs/dbraw/zinc/39/91/58/1349399158.db2.gz OVHXFMJGWZWNIQ-HNNXBMFYSA-N -1 1 341.371 2.276 20 0 EEADMM CCO[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001590785762 1349399163 /nfs/dbraw/zinc/39/91/63/1349399163.db2.gz OVHXFMJGWZWNIQ-HNNXBMFYSA-N -1 1 341.371 2.276 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590851239 1349404838 /nfs/dbraw/zinc/40/48/38/1349404838.db2.gz UZKAYQLPJUPDCL-WDEREUQCSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590851239 1349404841 /nfs/dbraw/zinc/40/48/41/1349404841.db2.gz UZKAYQLPJUPDCL-WDEREUQCSA-N -1 1 332.433 2.008 20 0 EEADMM CCc1nc(NC[C@H]2CC23CCSCC3)cc(-c2nnn[n-]2)n1 ZINC001590918171 1349413098 /nfs/dbraw/zinc/41/30/98/1349413098.db2.gz UNWNCMZNDXISBR-SNVBAGLBSA-N -1 1 331.449 2.164 20 0 EEADMM CCc1nc(NC[C@H]2CC23CCSCC3)cc(-c2nn[n-]n2)n1 ZINC001590918171 1349413103 /nfs/dbraw/zinc/41/31/03/1349413103.db2.gz UNWNCMZNDXISBR-SNVBAGLBSA-N -1 1 331.449 2.164 20 0 EEADMM CN(C)c1cc(F)cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001591028751 1349429563 /nfs/dbraw/zinc/42/95/63/1349429563.db2.gz IYUWHJYAVGCCTA-UHFFFAOYSA-N -1 1 340.366 2.483 20 0 EEADMM CN(C)c1cc(F)cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001591028751 1349429575 /nfs/dbraw/zinc/42/95/75/1349429575.db2.gz IYUWHJYAVGCCTA-UHFFFAOYSA-N -1 1 340.366 2.483 20 0 EEADMM COCC1(c2noc(-c3cc(-c4nnn[n-]4)oc3C)n2)CCCC1 ZINC001591390609 1349480068 /nfs/dbraw/zinc/48/00/68/1349480068.db2.gz KPGOVXXYAWMABO-UHFFFAOYSA-N -1 1 330.348 2.276 20 0 EEADMM COCC1(c2noc(-c3cc(-c4nn[n-]n4)oc3C)n2)CCCC1 ZINC001591390609 1349480071 /nfs/dbraw/zinc/48/00/71/1349480071.db2.gz KPGOVXXYAWMABO-UHFFFAOYSA-N -1 1 330.348 2.276 20 0 EEADMM COc1ccccc1OCCN(C)c1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591652204 1349526376 /nfs/dbraw/zinc/52/63/76/1349526376.db2.gz FXNITKBAAKJAMG-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1ccccc1OCCN(C)c1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591652204 1349526390 /nfs/dbraw/zinc/52/63/90/1349526390.db2.gz FXNITKBAAKJAMG-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM Cc1cccc(F)c1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592232714 1349613363 /nfs/dbraw/zinc/61/33/63/1349613363.db2.gz FRSZIGCAAGNAFW-UHFFFAOYSA-N -1 1 329.310 2.383 20 0 EEADMM Cc1cccc(F)c1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592232714 1349613364 /nfs/dbraw/zinc/61/33/64/1349613364.db2.gz FRSZIGCAAGNAFW-UHFFFAOYSA-N -1 1 329.310 2.383 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC001592480079 1349635280 /nfs/dbraw/zinc/63/52/80/1349635280.db2.gz SWIMVIIONMCHKQ-IHWYPQMZSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC001592480079 1349635283 /nfs/dbraw/zinc/63/52/83/1349635283.db2.gz SWIMVIIONMCHKQ-IHWYPQMZSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC001592501030 1349638122 /nfs/dbraw/zinc/63/81/22/1349638122.db2.gz MJWJJHRGFWWLDV-UHFFFAOYSA-N -1 1 329.364 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(CCC(C)C)[nH]n1 ZINC001592501030 1349638123 /nfs/dbraw/zinc/63/81/23/1349638123.db2.gz MJWJJHRGFWWLDV-UHFFFAOYSA-N -1 1 329.364 2.332 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCCF ZINC001592507004 1349642662 /nfs/dbraw/zinc/64/26/62/1349642662.db2.gz UFTVLTSPQWLGDR-UHFFFAOYSA-N -1 1 333.323 2.465 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCCF ZINC001592507004 1349642663 /nfs/dbraw/zinc/64/26/63/1349642663.db2.gz UFTVLTSPQWLGDR-UHFFFAOYSA-N -1 1 333.323 2.465 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCSC1 ZINC001592504707 1349642858 /nfs/dbraw/zinc/64/28/58/1349642858.db2.gz HPCHQYQUXKSQCJ-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCSC1 ZINC001592504707 1349642861 /nfs/dbraw/zinc/64/28/61/1349642861.db2.gz HPCHQYQUXKSQCJ-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM Clc1nc(N2CCCC[C@H]2c2ncccn2)sc1-c1nnn[n-]1 ZINC001592540888 1349652678 /nfs/dbraw/zinc/65/26/78/1349652678.db2.gz QSBNTQVKGQMQKK-QMMMGPOBSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nc(N2CCCC[C@H]2c2ncccn2)sc1-c1nn[n-]n1 ZINC001592540888 1349652681 /nfs/dbraw/zinc/65/26/81/1349652681.db2.gz QSBNTQVKGQMQKK-QMMMGPOBSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nc(N2CCC(n3ccnc3)CC2)sc1-c1nn[n-]n1 ZINC001592539775 1349652946 /nfs/dbraw/zinc/65/29/46/1349652946.db2.gz AXMMHUJDNYQWSM-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM Cn1c(NC(=O)c2csc(-c3nn[n-]n3)c2)nc2ccc(F)cc21 ZINC001592556011 1349657584 /nfs/dbraw/zinc/65/75/84/1349657584.db2.gz XMYHMKVYPXQPTJ-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Fc1ccc(OCc2nc(-c3ccccc3)no2)c(-c2nnn[n-]2)n1 ZINC001592652379 1349696718 /nfs/dbraw/zinc/69/67/18/1349696718.db2.gz IFRACCNXDYMILB-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1ccc(OCc2nc(-c3ccccc3)no2)c(-c2nn[n-]n2)n1 ZINC001592652379 1349696724 /nfs/dbraw/zinc/69/67/24/1349696724.db2.gz IFRACCNXDYMILB-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1cccc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)n1 ZINC001592657067 1349701280 /nfs/dbraw/zinc/70/12/80/1349701280.db2.gz FFHTZGWWEHWKJD-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1cccc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)n1 ZINC001592657067 1349701283 /nfs/dbraw/zinc/70/12/83/1349701283.db2.gz FFHTZGWWEHWKJD-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2cccc(Cl)c2s1 ZINC001592753380 1349712774 /nfs/dbraw/zinc/71/27/74/1349712774.db2.gz WYQFSZZXGWUTRL-UHFFFAOYSA-N -1 1 345.775 2.202 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592812340 1349716032 /nfs/dbraw/zinc/71/60/32/1349716032.db2.gz GGDKHCYLHYMKBL-LLVKDONJSA-N -1 1 340.387 2.019 20 0 EEADMM O=C(C=Cc1ccco1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592804631 1349716428 /nfs/dbraw/zinc/71/64/28/1349716428.db2.gz SOHLWCRBHADASM-ONEGZZNKSA-N -1 1 331.282 2.068 20 0 EEADMM O=C(C=Cc1ccco1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592804631 1349716431 /nfs/dbraw/zinc/71/64/31/1349716431.db2.gz SOHLWCRBHADASM-ONEGZZNKSA-N -1 1 331.282 2.068 20 0 EEADMM O=C(CCCOc1ccccc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592837876 1349718581 /nfs/dbraw/zinc/71/85/81/1349718581.db2.gz ITWXOQFLYCMENS-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(CCCOc1ccccc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592837876 1349718585 /nfs/dbraw/zinc/71/85/85/1349718585.db2.gz ITWXOQFLYCMENS-UHFFFAOYSA-N -1 1 342.334 2.199 20 0 EEADMM O=C(NCCC[C@@H]1C=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593067112 1349735727 /nfs/dbraw/zinc/73/57/27/1349735727.db2.gz UNKRCRJZCOADJX-SNVBAGLBSA-N -1 1 332.795 2.391 20 0 EEADMM O=C(NCC[C@H]1CCCC1(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593064976 1349736030 /nfs/dbraw/zinc/73/60/30/1349736030.db2.gz ILUJOEKKMAAHKS-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC[C@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593064976 1349736036 /nfs/dbraw/zinc/73/60/36/1349736036.db2.gz ILUJOEKKMAAHKS-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCCC12CC2 ZINC001593137523 1349740043 /nfs/dbraw/zinc/74/00/43/1349740043.db2.gz HJFIEVKIIYDUKY-SNVBAGLBSA-N -1 1 332.433 2.308 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc(-c2ccco2)s1 ZINC001593245616 1349749894 /nfs/dbraw/zinc/74/98/94/1349749894.db2.gz YDFUUFUGJMDGJE-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc(-c2ccco2)s1 ZINC001593245616 1349749897 /nfs/dbraw/zinc/74/98/97/1349749897.db2.gz YDFUUFUGJMDGJE-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1cnn(C2CCC2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593259632 1349754349 /nfs/dbraw/zinc/75/43/49/1349754349.db2.gz TZNPPMCRBMPWQE-UHFFFAOYSA-N -1 1 327.323 2.180 20 0 EEADMM O=C(Nc1cnn(C2CCC2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593259632 1349754352 /nfs/dbraw/zinc/75/43/52/1349754352.db2.gz TZNPPMCRBMPWQE-UHFFFAOYSA-N -1 1 327.323 2.180 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N(C1CC1)C1CC1 ZINC001593263257 1349755196 /nfs/dbraw/zinc/75/51/96/1349755196.db2.gz KGIZCBBYZVYYFY-UHFFFAOYSA-N -1 1 325.785 2.135 20 0 EEADMM O=C(Nc1ncn(C2CCCCC2)n1)c1ccsc1-c1nnn[n-]1 ZINC001593268087 1349756185 /nfs/dbraw/zinc/75/61/85/1349756185.db2.gz QLKMJKHCSYZOKU-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(Nc1ncn(C2CCCCC2)n1)c1ccsc1-c1nn[n-]n1 ZINC001593268087 1349756189 /nfs/dbraw/zinc/75/61/89/1349756189.db2.gz QLKMJKHCSYZOKU-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(OC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284852 1349763040 /nfs/dbraw/zinc/76/30/40/1349763040.db2.gz UIZZHVLSGONWQY-WCBMZHEXSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284852 1349763043 /nfs/dbraw/zinc/76/30/43/1349763043.db2.gz UIZZHVLSGONWQY-WCBMZHEXSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593305188 1349775394 /nfs/dbraw/zinc/77/53/94/1349775394.db2.gz IJJQBDBLEYUECE-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593305188 1349775397 /nfs/dbraw/zinc/77/53/97/1349775397.db2.gz IJJQBDBLEYUECE-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001593307988 1349776392 /nfs/dbraw/zinc/77/63/92/1349776392.db2.gz XFVPNPZOIJMHSM-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001593307988 1349776396 /nfs/dbraw/zinc/77/63/96/1349776396.db2.gz XFVPNPZOIJMHSM-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1ccccc1OC1CC1 ZINC001593307015 1349776467 /nfs/dbraw/zinc/77/64/67/1349776467.db2.gz KBEUDTGZQPFPPJ-UHFFFAOYSA-N -1 1 343.368 2.221 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1ccccc1OC1CC1 ZINC001593307015 1349776469 /nfs/dbraw/zinc/77/64/69/1349776469.db2.gz KBEUDTGZQPFPPJ-UHFFFAOYSA-N -1 1 343.368 2.221 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](OC2CCC2)C1 ZINC001593350744 1349789801 /nfs/dbraw/zinc/78/98/01/1349789801.db2.gz UXKDGOFXASJEDA-GFCCVEGCSA-N -1 1 345.378 2.180 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](OC2CCC2)C1 ZINC001593350744 1349789806 /nfs/dbraw/zinc/78/98/06/1349789806.db2.gz UXKDGOFXASJEDA-GFCCVEGCSA-N -1 1 345.378 2.180 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccnc1 ZINC001593372090 1349792645 /nfs/dbraw/zinc/79/26/45/1349792645.db2.gz ZKBQUGSFVPYORZ-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC001593537130 1349835220 /nfs/dbraw/zinc/83/52/20/1349835220.db2.gz FOUKSVWXHOVQKP-UKRRQHHQSA-N -1 1 342.790 2.227 20 0 EEADMM O[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC001593537130 1349835224 /nfs/dbraw/zinc/83/52/24/1349835224.db2.gz FOUKSVWXHOVQKP-UKRRQHHQSA-N -1 1 342.790 2.227 20 0 EEADMM c1ccc(-c2nnn(CCC3SCCS3)c2-c2nn[n-]n2)cc1 ZINC001593567970 1349853672 /nfs/dbraw/zinc/85/36/72/1349853672.db2.gz IVTJYDWFYPNXLH-UHFFFAOYSA-N -1 1 345.457 2.321 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CCOCC2)cc1 ZINC001593570463 1349856434 /nfs/dbraw/zinc/85/64/34/1349856434.db2.gz GXWVUVUEFDZKEH-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CCOCC2)cc1 ZINC001593570463 1349856438 /nfs/dbraw/zinc/85/64/38/1349856438.db2.gz GXWVUVUEFDZKEH-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1cncc(C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CCCC2)c1 ZINC001593587409 1349866597 /nfs/dbraw/zinc/86/65/97/1349866597.db2.gz GEQMTROIZXFQJP-MRXNPFEDSA-N -1 1 335.415 2.292 20 0 EEADMM c1cncc(C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CCCC2)c1 ZINC001593587409 1349866601 /nfs/dbraw/zinc/86/66/01/1349866601.db2.gz GEQMTROIZXFQJP-MRXNPFEDSA-N -1 1 335.415 2.292 20 0 EEADMM Cc1cc(C)n2c(CN[C@](C)(CC(=O)[O-])c3ccncc3)cnc2n1 ZINC001600178917 1349986351 /nfs/dbraw/zinc/98/63/51/1349986351.db2.gz FELJPUBLFONYPC-GOSISDBHSA-N -1 1 339.399 2.221 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001600186074 1349988115 /nfs/dbraw/zinc/98/81/15/1349988115.db2.gz PLPWNSBTTHOEAN-AWEZNQCLSA-N -1 1 325.320 2.342 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3C(=O)[O-])n[nH]2)cc1C ZINC001600312906 1350018021 /nfs/dbraw/zinc/01/80/21/1350018021.db2.gz XZIXEXNMKDKVSD-OAHLLOKOSA-N -1 1 345.424 2.336 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001600371885 1350032389 /nfs/dbraw/zinc/03/23/89/1350032389.db2.gz HONHZRALOZONTC-LSDHHAIUSA-N -1 1 333.432 2.246 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c(C)c1 ZINC001600445924 1350053661 /nfs/dbraw/zinc/05/36/61/1350053661.db2.gz QCYDVTCMNHXMBD-DZKIICNBSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001600644108 1350106546 /nfs/dbraw/zinc/10/65/46/1350106546.db2.gz TWIQSHGUMUCJCQ-UHFFFAOYSA-N -1 1 345.330 2.203 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001600754293 1350128806 /nfs/dbraw/zinc/12/88/06/1350128806.db2.gz FPAUVOOYKHCOTA-UHFFFAOYSA-N -1 1 336.351 2.455 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001600792666 1350138576 /nfs/dbraw/zinc/13/85/76/1350138576.db2.gz QKRLQTVDODQOPW-ZWNOBZJWSA-N -1 1 345.403 2.325 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(N2CCCNC2=O)cc1 ZINC001600831656 1350147228 /nfs/dbraw/zinc/14/72/28/1350147228.db2.gz WYQXNWSZCJRXKK-UHFFFAOYSA-N -1 1 343.383 2.496 20 0 EEADMM Cn1cc([C@H](N[C@H](C(=O)[O-])c2ccc(F)cc2)C2(CO)CCC2)cn1 ZINC001600941562 1350173182 /nfs/dbraw/zinc/17/31/82/1350173182.db2.gz WJMSEYYDYACWBM-HOTGVXAUSA-N -1 1 347.390 2.178 20 0 EEADMM NC(=O)C[C@@H]1CCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001601147311 1350220597 /nfs/dbraw/zinc/22/05/97/1350220597.db2.gz CXDZPDWTMDPRBI-HNNXBMFYSA-N -1 1 343.383 2.270 20 0 EEADMM O=C([O-])c1ccc(COC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC001601247415 1350241346 /nfs/dbraw/zinc/24/13/46/1350241346.db2.gz YKXDZXOVOSYUPR-UHFFFAOYSA-N -1 1 347.411 2.463 20 0 EEADMM O=C([O-])c1cc(NC(=O)Cc2cnc[nH]2)cc(Br)c1F ZINC001601372614 1350269340 /nfs/dbraw/zinc/26/93/40/1350269340.db2.gz SRDWVNCYTZWGBU-UHFFFAOYSA-N -1 1 342.124 2.191 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC001601450118 1350285526 /nfs/dbraw/zinc/28/55/26/1350285526.db2.gz AZIALFHZCXOZBU-DLBZAZTESA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC001601588992 1350314058 /nfs/dbraw/zinc/31/40/58/1350314058.db2.gz ZJURLGDIXVAAAC-JTQLQIEISA-N -1 1 334.763 2.440 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCN(C/C=C\c3ccccc3)CC2)C1(F)F ZINC001601747327 1350354699 /nfs/dbraw/zinc/35/46/99/1350354699.db2.gz CRDUZLNOPZBDGS-GTEGOMCXSA-N -1 1 336.382 2.283 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(Br)n[nH]2)c2ccccc21 ZINC001601846112 1350379389 /nfs/dbraw/zinc/37/93/89/1350379389.db2.gz XSKUTJAUWSPDQN-QMMMGPOBSA-N -1 1 336.145 2.001 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC001601857156 1350382359 /nfs/dbraw/zinc/38/23/59/1350382359.db2.gz MUYGUQBYJFLPBI-CYBMUJFWSA-N -1 1 335.404 2.396 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1ccc(C2OCCO2)cc1 ZINC001602095316 1350436175 /nfs/dbraw/zinc/43/61/75/1350436175.db2.gz PBHXSKPCRGJLHX-UHFFFAOYSA-N -1 1 343.379 2.485 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1F ZINC001602123999 1350444583 /nfs/dbraw/zinc/44/45/83/1350444583.db2.gz CWQPGIIDUUIFDV-ZDUSSCGKSA-N -1 1 332.335 2.375 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1F ZINC001602122873 1350444674 /nfs/dbraw/zinc/44/46/74/1350444674.db2.gz GOTMKWYCVVENRL-INIZCTEOSA-N -1 1 328.343 2.106 20 0 EEADMM O=C([O-])Cc1ccccc1CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602146376 1350450841 /nfs/dbraw/zinc/45/08/41/1350450841.db2.gz HOIXAYGURPENRP-UHFFFAOYSA-N -1 1 336.351 2.029 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccnc(N2CCCC2)c1 ZINC001602309453 1350490618 /nfs/dbraw/zinc/49/06/18/1350490618.db2.gz VYIIKXBNGHRRHW-CQSZACIVSA-N -1 1 341.415 2.201 20 0 EEADMM O=C([O-])c1cccc(CNC2CN(C(=O)OCc3ccccc3)C2)c1 ZINC001602437088 1350519529 /nfs/dbraw/zinc/51/95/29/1350519529.db2.gz AQXQKVFWFSYVDN-UHFFFAOYSA-N -1 1 340.379 2.495 20 0 EEADMM O=C([O-])c1cccc2c1CCN(C(=O)c1ccn(-c3ccncc3)n1)C2 ZINC001602457157 1350523421 /nfs/dbraw/zinc/52/34/21/1350523421.db2.gz KJCWAZZHIKECEB-UHFFFAOYSA-N -1 1 348.362 2.164 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C(=O)c1cccc3c[nH]nc31)C2 ZINC001602461784 1350525036 /nfs/dbraw/zinc/52/50/36/1350525036.db2.gz NAHBHHVILRVIOO-UHFFFAOYSA-N -1 1 337.335 2.296 20 0 EEADMM O=C([O-])c1ccoc1S(=O)(=O)NCC(F)(F)c1cccc(F)c1 ZINC001602488404 1350530912 /nfs/dbraw/zinc/53/09/12/1350530912.db2.gz GQOFJYPUOWVISC-UHFFFAOYSA-N -1 1 349.286 2.187 20 0 EEADMM O=C([O-])c1cn(CCSc2nnc(CCC3CCCC3)[nH]2)nn1 ZINC001602505580 1350533528 /nfs/dbraw/zinc/53/35/28/1350533528.db2.gz UQEKAUFDACGMLM-UHFFFAOYSA-N -1 1 336.421 2.010 20 0 EEADMM O=C([O-])c1cn(CCSc2nc(CCC3CCCC3)n[nH]2)nn1 ZINC001602505580 1350533530 /nfs/dbraw/zinc/53/35/30/1350533530.db2.gz UQEKAUFDACGMLM-UHFFFAOYSA-N -1 1 336.421 2.010 20 0 EEADMM O=C([O-])c1nccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC001602574506 1350549841 /nfs/dbraw/zinc/54/98/41/1350549841.db2.gz JIKXGASDDIAOHN-UHFFFAOYSA-N -1 1 346.818 2.327 20 0 EEADMM CC(=O)OCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001602958191 1350610236 /nfs/dbraw/zinc/61/02/36/1350610236.db2.gz OCOAZCWIGWEGSE-UHFFFAOYSA-N -1 1 333.295 2.202 20 0 EEADMM CC(=O)NCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001603052689 1350628714 /nfs/dbraw/zinc/62/87/14/1350628714.db2.gz VNFRUSBQOSYWOW-KRWDZBQOSA-N -1 1 330.359 2.377 20 0 EEADMM CC(C)(C)SCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603109675 1350642318 /nfs/dbraw/zinc/64/23/18/1350642318.db2.gz CIKDNRDHMKSZCR-UHFFFAOYSA-N -1 1 347.444 2.079 20 0 EEADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603123579 1350645125 /nfs/dbraw/zinc/64/51/25/1350645125.db2.gz SPRVAPFFUYWIAX-YRGRVCCFSA-N -1 1 332.400 2.259 20 0 EEADMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603139827 1350648870 /nfs/dbraw/zinc/64/88/70/1350648870.db2.gz YKPUREWKEPXLOB-UHFFFAOYSA-N -1 1 349.391 2.090 20 0 EEADMM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603139827 1350648877 /nfs/dbraw/zinc/64/88/77/1350648877.db2.gz YKPUREWKEPXLOB-UHFFFAOYSA-N -1 1 349.391 2.090 20 0 EEADMM CC(C)(CCc1ccccc1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603143528 1350649172 /nfs/dbraw/zinc/64/91/72/1350649172.db2.gz CKLLILXATSLXBA-UHFFFAOYSA-N -1 1 336.399 2.403 20 0 EEADMM CC(C)(CCc1ccccc1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603143528 1350649174 /nfs/dbraw/zinc/64/91/74/1350649174.db2.gz CKLLILXATSLXBA-UHFFFAOYSA-N -1 1 336.399 2.403 20 0 EEADMM CC(C)C(C)(C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001603206118 1350662545 /nfs/dbraw/zinc/66/25/45/1350662545.db2.gz JCEZXJMFGMNZLK-UHFFFAOYSA-N -1 1 342.325 2.445 20 0 EEADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603498984 1350713442 /nfs/dbraw/zinc/71/34/42/1350713442.db2.gz GZOZFFRLJHWETD-SNVBAGLBSA-N -1 1 343.412 2.385 20 0 EEADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603498984 1350713448 /nfs/dbraw/zinc/71/34/48/1350713448.db2.gz GZOZFFRLJHWETD-SNVBAGLBSA-N -1 1 343.412 2.385 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC001603688548 1350742585 /nfs/dbraw/zinc/74/25/85/1350742585.db2.gz VQFUSHNWSHFKHB-MRVPVSSYSA-N -1 1 335.293 2.271 20 0 EEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ccc(N(C)C)cn1 ZINC001603704871 1350746256 /nfs/dbraw/zinc/74/62/56/1350746256.db2.gz LZCDTKUOOYLOKA-VIFPVBQESA-N -1 1 344.400 2.307 20 0 EEADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cccc(F)c1[O-] ZINC001603711233 1350747699 /nfs/dbraw/zinc/74/76/99/1350747699.db2.gz AMFURWSFQSCXPP-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM CC1(C)CCC[C@](O)(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001603773984 1350764600 /nfs/dbraw/zinc/76/46/00/1350764600.db2.gz KUFHHPZHDIRAGQ-QGZVFWFLSA-N -1 1 343.435 2.277 20 0 EEADMM CC1(C)CCC[C@](O)(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001603773984 1350764604 /nfs/dbraw/zinc/76/46/04/1350764604.db2.gz KUFHHPZHDIRAGQ-QGZVFWFLSA-N -1 1 343.435 2.277 20 0 EEADMM CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H]1[C@H]1CCCO1 ZINC001603787947 1350768254 /nfs/dbraw/zinc/76/82/54/1350768254.db2.gz PQSIOWQUJRHZOF-MFKMUULPSA-N -1 1 334.811 2.309 20 0 EEADMM CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H]1[C@H]1CCCO1 ZINC001603787947 1350768256 /nfs/dbraw/zinc/76/82/56/1350768256.db2.gz PQSIOWQUJRHZOF-MFKMUULPSA-N -1 1 334.811 2.309 20 0 EEADMM CC1(C)CO[C@H](CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001603789974 1350768276 /nfs/dbraw/zinc/76/82/76/1350768276.db2.gz WBZAINIOFZUROT-LLVKDONJSA-N -1 1 331.376 2.106 20 0 EEADMM C[C@]1(Cc2cccc(F)c2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001603810361 1350773712 /nfs/dbraw/zinc/77/37/12/1350773712.db2.gz RFHLGOKZKKAXSL-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@H]1C[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)CC(C)(C)C1=O ZINC001603866620 1350787532 /nfs/dbraw/zinc/78/75/32/1350787532.db2.gz BTDRMWCKSLKYJV-RKDXNWHRSA-N -1 1 334.401 2.479 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](c2ccccc2)O1 ZINC001603936552 1350807590 /nfs/dbraw/zinc/80/75/90/1350807590.db2.gz SJHPHCGFTYJQPR-SMDDNHRTSA-N -1 1 342.428 2.285 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](c2ccccc2)O1 ZINC001603936552 1350807593 /nfs/dbraw/zinc/80/75/93/1350807593.db2.gz SJHPHCGFTYJQPR-SMDDNHRTSA-N -1 1 342.428 2.285 20 0 EEADMM CC[C@@](C)(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001603987036 1350820720 /nfs/dbraw/zinc/82/07/20/1350820720.db2.gz JUZZMIIREZIWTF-CQSZACIVSA-N -1 1 344.404 2.165 20 0 EEADMM CC[C@@](C)(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001603987036 1350820724 /nfs/dbraw/zinc/82/07/24/1350820724.db2.gz JUZZMIIREZIWTF-CQSZACIVSA-N -1 1 344.404 2.165 20 0 EEADMM CC[C@H](C)c1ccccc1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604010873 1350828820 /nfs/dbraw/zinc/82/88/20/1350828820.db2.gz APCAVCVDZRBBNT-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](C)c1ccccc1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604010873 1350828823 /nfs/dbraw/zinc/82/88/23/1350828823.db2.gz APCAVCVDZRBBNT-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604015453 1350830072 /nfs/dbraw/zinc/83/00/72/1350830072.db2.gz IILMBDJCCBMUIK-ZCFIWIBFSA-N -1 1 348.716 2.376 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604030518 1350833822 /nfs/dbraw/zinc/83/38/22/1350833822.db2.gz YGEUFQPHGRDSQF-LBPRGKRZSA-N -1 1 327.344 2.423 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CCCOC1 ZINC001604063716 1350844410 /nfs/dbraw/zinc/84/44/10/1350844410.db2.gz KPHFEDZRDRKFEK-NWDGAFQWSA-N -1 1 329.408 2.151 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CCCOC1 ZINC001604063716 1350844413 /nfs/dbraw/zinc/84/44/13/1350844413.db2.gz KPHFEDZRDRKFEK-NWDGAFQWSA-N -1 1 329.408 2.151 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cccc(-c2nnn[n-]2)n1 ZINC001604065583 1350844747 /nfs/dbraw/zinc/84/47/47/1350844747.db2.gz AHANFXBAUKNVOZ-LBPRGKRZSA-N -1 1 330.314 2.157 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cccc(-c2nn[n-]n2)n1 ZINC001604065583 1350844751 /nfs/dbraw/zinc/84/47/51/1350844751.db2.gz AHANFXBAUKNVOZ-LBPRGKRZSA-N -1 1 330.314 2.157 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604070750 1350846776 /nfs/dbraw/zinc/84/67/76/1350846776.db2.gz HMWLQEPUPHYZAD-ZDUSSCGKSA-N -1 1 330.392 2.328 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604070750 1350846779 /nfs/dbraw/zinc/84/67/79/1350846779.db2.gz HMWLQEPUPHYZAD-ZDUSSCGKSA-N -1 1 330.392 2.328 20 0 EEADMM CCOc1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604465792 1350943232 /nfs/dbraw/zinc/94/32/32/1350943232.db2.gz UXRKCCSJYURULN-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604465792 1350943235 /nfs/dbraw/zinc/94/32/35/1350943235.db2.gz UXRKCCSJYURULN-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001604636524 1350974262 /nfs/dbraw/zinc/97/42/62/1350974262.db2.gz MZGUQSLBZDGGMU-CABZTGNLSA-N -1 1 338.770 2.355 20 0 EEADMM C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-])CCOCC2 ZINC001604689399 1350985696 /nfs/dbraw/zinc/98/56/96/1350985696.db2.gz JINFMGDEQPLZHN-LLVKDONJSA-N -1 1 338.429 2.276 20 0 EEADMM C[C@@H]1CC2(CN1CC(=O)Nc1ccsc1C(=O)[O-])CCOCC2 ZINC001604689399 1350985698 /nfs/dbraw/zinc/98/56/98/1350985698.db2.gz JINFMGDEQPLZHN-LLVKDONJSA-N -1 1 338.429 2.276 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1CCC(=O)[O-] ZINC001604784451 1351002279 /nfs/dbraw/zinc/00/22/79/1351002279.db2.gz XQPKBRKGQGVNGM-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM CO[C@@H](CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1)C1CC1 ZINC001605008742 1351051530 /nfs/dbraw/zinc/05/15/30/1351051530.db2.gz KPCZNVCNHFDMDI-JTQLQIEISA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@@H](CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1)C1CC1 ZINC001605008742 1351051532 /nfs/dbraw/zinc/05/15/32/1351051532.db2.gz KPCZNVCNHFDMDI-JTQLQIEISA-N -1 1 328.298 2.117 20 0 EEADMM CC[C@H]1[C@@H](C)CCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001605152302 1351089236 /nfs/dbraw/zinc/08/92/36/1351089236.db2.gz SXJOKENWDMJJQE-WFASDCNBSA-N -1 1 345.399 2.231 20 0 EEADMM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2n1 ZINC001605199784 1351101196 /nfs/dbraw/zinc/10/11/96/1351101196.db2.gz DVRBDXSXBDJLEI-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC001605199784 1351101199 /nfs/dbraw/zinc/10/11/99/1351101199.db2.gz DVRBDXSXBDJLEI-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM C[S@](=O)(=NC(=O)c1csc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001605351771 1351143296 /nfs/dbraw/zinc/14/32/96/1351143296.db2.gz DRPSFPXNUMORSQ-JOCHJYFZSA-N -1 1 339.446 2.499 20 0 EEADMM C[S@](=O)(=NC(=O)c1csc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001605351771 1351143301 /nfs/dbraw/zinc/14/33/01/1351143301.db2.gz DRPSFPXNUMORSQ-JOCHJYFZSA-N -1 1 339.446 2.499 20 0 EEADMM CSc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001605383033 1351149710 /nfs/dbraw/zinc/14/97/10/1351149710.db2.gz XCZBWRHUGSCFGV-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001605383033 1351149712 /nfs/dbraw/zinc/14/97/12/1351149712.db2.gz XCZBWRHUGSCFGV-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC001605442584 1351158536 /nfs/dbraw/zinc/15/85/36/1351158536.db2.gz DJRVKCJANROIOW-VIFPVBQESA-N -1 1 326.312 2.313 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC001605442584 1351158539 /nfs/dbraw/zinc/15/85/39/1351158539.db2.gz DJRVKCJANROIOW-VIFPVBQESA-N -1 1 326.312 2.313 20 0 EEADMM C[Si](C)(C)c1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605451846 1351161594 /nfs/dbraw/zinc/16/15/94/1351161594.db2.gz ZYWJNJNQZKYZLH-UHFFFAOYSA-N -1 1 338.491 2.462 20 0 EEADMM C[Si](C)(C)c1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605451846 1351161604 /nfs/dbraw/zinc/16/16/04/1351161604.db2.gz ZYWJNJNQZKYZLH-UHFFFAOYSA-N -1 1 338.491 2.462 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(CC(C)C)s2)nn1C ZINC001605468426 1351164377 /nfs/dbraw/zinc/16/43/77/1351164377.db2.gz WANBTOOWHINFJF-UHFFFAOYSA-N -1 1 345.432 2.421 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(CC(C)C)s2)nn1C ZINC001605468426 1351164380 /nfs/dbraw/zinc/16/43/80/1351164380.db2.gz WANBTOOWHINFJF-UHFFFAOYSA-N -1 1 345.432 2.421 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2ccc(C)c(-c3nnn[n-]3)n2)c(C)o1 ZINC001605630152 1351205273 /nfs/dbraw/zinc/20/52/73/1351205273.db2.gz LALPPPIIIOGPTA-INIZCTEOSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2ccc(C)c(-c3nn[n-]n3)n2)c(C)o1 ZINC001605630152 1351205278 /nfs/dbraw/zinc/20/52/78/1351205278.db2.gz LALPPPIIIOGPTA-INIZCTEOSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1cc(C)c(C)c(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1C ZINC001605640972 1351208201 /nfs/dbraw/zinc/20/82/01/1351208201.db2.gz NNLKEPABXYNGPO-UHFFFAOYSA-N -1 1 337.383 2.145 20 0 EEADMM Cc1cc(C)n([C@@H](C)CC(=O)OCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001605649241 1351210105 /nfs/dbraw/zinc/21/01/05/1351210105.db2.gz GSPOWLCVXJPQMZ-NSHDSACASA-N -1 1 346.416 2.436 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC001605879862 1351245294 /nfs/dbraw/zinc/24/52/94/1351245294.db2.gz VHYCPDZTSVXDNU-CQSZACIVSA-N -1 1 349.305 2.468 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nnn[n-]1 ZINC001605921702 1351254212 /nfs/dbraw/zinc/25/42/12/1351254212.db2.gz QMTKTXYBPGQFJY-JTQLQIEISA-N -1 1 344.400 2.346 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001605921702 1351254216 /nfs/dbraw/zinc/25/42/16/1351254216.db2.gz QMTKTXYBPGQFJY-JTQLQIEISA-N -1 1 344.400 2.346 20 0 EEADMM Clc1ccc(C2(CNc3ccnc(-c4nn[n-]n4)n3)CCC2)cc1 ZINC001606190076 1351284207 /nfs/dbraw/zinc/28/42/07/1351284207.db2.gz SLWAGAXZAPZAGO-UHFFFAOYSA-N -1 1 341.806 2.266 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCSC2)nc(-c2nnn[n-]2)c1 ZINC001606291722 1351289303 /nfs/dbraw/zinc/28/93/03/1351289303.db2.gz BMHJYRMJIFQEBW-SSDOTTSWSA-N -1 1 330.339 2.446 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCSC2)nc(-c2nn[n-]n2)c1 ZINC001606291722 1351289304 /nfs/dbraw/zinc/28/93/04/1351289304.db2.gz BMHJYRMJIFQEBW-SSDOTTSWSA-N -1 1 330.339 2.446 20 0 EEADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC[C@@H](C)OCc1ccccc1 ZINC001606376955 1351298187 /nfs/dbraw/zinc/29/81/87/1351298187.db2.gz XMJZEYYRTZAHFF-PVAVHDDUSA-N -1 1 349.427 2.320 20 0 EEADMM NC(=O)c1ccc(CSc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001606429995 1351302438 /nfs/dbraw/zinc/30/24/38/1351302438.db2.gz ILSMHWWHQVJZOD-UHFFFAOYSA-N -1 1 329.360 2.397 20 0 EEADMM O=C(C/C=C/Cc1ccccc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606508389 1351313493 /nfs/dbraw/zinc/31/34/93/1351313493.db2.gz UWCAWUFYSSBCHD-SNAWJCMRSA-N -1 1 340.412 2.128 20 0 EEADMM O=C(C/C=C/Cc1ccccc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606508389 1351313495 /nfs/dbraw/zinc/31/34/95/1351313495.db2.gz UWCAWUFYSSBCHD-SNAWJCMRSA-N -1 1 340.412 2.128 20 0 EEADMM COC(=O)c1cc(CN2CC[C@@H](n3cc(C)cn3)C2)cc(C(=O)[O-])c1 ZINC001606541614 1351319427 /nfs/dbraw/zinc/31/94/27/1351319427.db2.gz FRBCSMVCUSDYJP-MRXNPFEDSA-N -1 1 343.383 2.123 20 0 EEADMM O=C(NC[C@H]1CCCSC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606735625 1351349120 /nfs/dbraw/zinc/34/91/20/1351349120.db2.gz USRQOVVCFSOQOW-MRVPVSSYSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NC[C@H]1CCCSC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606735625 1351349121 /nfs/dbraw/zinc/34/91/21/1351349121.db2.gz USRQOVVCFSOQOW-MRVPVSSYSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606735203 1351349218 /nfs/dbraw/zinc/34/92/18/1351349218.db2.gz PQHVHTFDTHVFEU-ZDUSSCGKSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606735203 1351349221 /nfs/dbraw/zinc/34/92/21/1351349221.db2.gz PQHVHTFDTHVFEU-ZDUSSCGKSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@H]1CCOC2(CCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606745341 1351350834 /nfs/dbraw/zinc/35/08/34/1351350834.db2.gz RRDATEWMKBOWAE-JTQLQIEISA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NC[C@H]1CCOC2(CCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606745341 1351350836 /nfs/dbraw/zinc/35/08/36/1351350836.db2.gz RRDATEWMKBOWAE-JTQLQIEISA-N -1 1 333.417 2.007 20 0 EEADMM COC[C@]1(CO)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001606841160 1351365217 /nfs/dbraw/zinc/36/52/17/1351365217.db2.gz SUBAWVYNPXYSPQ-DZGCQCFKSA-N -1 1 348.226 2.450 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606875994 1351369079 /nfs/dbraw/zinc/36/90/79/1351369079.db2.gz HVGVGQNHCAVWBE-NWDGAFQWSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606875994 1351369080 /nfs/dbraw/zinc/36/90/80/1351369080.db2.gz HVGVGQNHCAVWBE-NWDGAFQWSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(OCC1CCC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606967838 1351387005 /nfs/dbraw/zinc/38/70/05/1351387005.db2.gz QPKOCCIBBDNOFG-UHFFFAOYSA-N -1 1 327.266 2.237 20 0 EEADMM COCc1nc(NC(=O)c2c[nH]nc2C(C)(C)C)sc1C(=O)[O-] ZINC001606976098 1351389524 /nfs/dbraw/zinc/38/95/24/1351389524.db2.gz IBNVZYPHVKUYQE-UHFFFAOYSA-N -1 1 338.389 2.261 20 0 EEADMM O=C(OCc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001606981787 1351391702 /nfs/dbraw/zinc/39/17/02/1351391702.db2.gz FMQTYXBBEYTOFG-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(OCc1cnoc1C1CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606985819 1351392733 /nfs/dbraw/zinc/39/27/33/1351392733.db2.gz VXRLHMTWQFSHLK-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM O=C(OCc1cnoc1C1CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606985819 1351392735 /nfs/dbraw/zinc/39/27/35/1351392735.db2.gz VXRLHMTWQFSHLK-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM COc1c(C)[nH]cc(CN(C)Cc2cc(C(=O)[O-])sc2C)c1=O ZINC001607012268 1351396958 /nfs/dbraw/zinc/39/69/58/1351396958.db2.gz QPHJGGMFEKBZKZ-UHFFFAOYSA-N -1 1 336.413 2.392 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1CC1CCCC1 ZINC001607022572 1351399928 /nfs/dbraw/zinc/39/99/28/1351399928.db2.gz VNHDYYPSTBFXCK-ZDUSSCGKSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1CC1CCCC1 ZINC001607022572 1351399930 /nfs/dbraw/zinc/39/99/30/1351399930.db2.gz VNHDYYPSTBFXCK-ZDUSSCGKSA-N -1 1 326.404 2.447 20 0 EEADMM O[C@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001607102423 1351419045 /nfs/dbraw/zinc/41/90/45/1351419045.db2.gz XDPFBPDVMVFRMG-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001607102423 1351419049 /nfs/dbraw/zinc/41/90/49/1351419049.db2.gz XDPFBPDVMVFRMG-SCZZXKLOSA-N -1 1 342.325 2.244 20 0 EEADMM c1cn(-c2ccccc2)nc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001607128063 1351430422 /nfs/dbraw/zinc/43/04/22/1351430422.db2.gz JOANOQHRIUMLTJ-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1cn(-c2ccccc2)nc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001607128063 1351430425 /nfs/dbraw/zinc/43/04/25/1351430425.db2.gz JOANOQHRIUMLTJ-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cncc(-c5nnn[n-]5)n4)C3)nc2c1 ZINC001607131381 1351433290 /nfs/dbraw/zinc/43/32/90/1351433290.db2.gz ARBYWEOGZKEULX-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cncc(-c5nn[n-]n5)n4)C3)nc2c1 ZINC001607131381 1351433293 /nfs/dbraw/zinc/43/32/93/1351433293.db2.gz ARBYWEOGZKEULX-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1sc(CSC2CCC3(CC2)OCCO3)nc1-c1nnn[n-]1 ZINC001607137818 1351435837 /nfs/dbraw/zinc/43/58/37/1351435837.db2.gz DKKCVPBHHUJKDP-UHFFFAOYSA-N -1 1 339.446 2.242 20 0 EEADMM c1sc(CSC2CCC3(CC2)OCCO3)nc1-c1nn[n-]n1 ZINC001607137818 1351435841 /nfs/dbraw/zinc/43/58/41/1351435841.db2.gz DKKCVPBHHUJKDP-UHFFFAOYSA-N -1 1 339.446 2.242 20 0 EEADMM COc1ccc(CN(CCCO)Cc2ccc(C(=O)[O-])n2C)cc1 ZINC001607250329 1351458717 /nfs/dbraw/zinc/45/87/17/1351458717.db2.gz CGMXATIHTCSISZ-UHFFFAOYSA-N -1 1 332.400 2.117 20 0 EEADMM COc1cccc([C@H](NC(=O)c2cccc3nc[nH]c32)C(=O)[O-])c1 ZINC001607330240 1351475554 /nfs/dbraw/zinc/47/55/54/1351475554.db2.gz KXSRCUAFOJTXIQ-AWEZNQCLSA-N -1 1 325.324 2.127 20 0 EEADMM COc1ccccc1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607340463 1351478347 /nfs/dbraw/zinc/47/83/47/1351478347.db2.gz ZCBQDJFINZEZPP-UHFFFAOYSA-N -1 1 325.324 2.451 20 0 EEADMM COc1nsc(CN2CCOC[C@@H](C3CCC3)C2)c1C(=O)[O-] ZINC001607364488 1351483362 /nfs/dbraw/zinc/48/33/62/1351483362.db2.gz XLWSVVQLPDEXKH-NSHDSACASA-N -1 1 326.418 2.098 20 0 EEADMM C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001607437215 1351494098 /nfs/dbraw/zinc/49/40/98/1351494098.db2.gz JCCGPQQUTUMPPA-DYVFJYSZSA-N -1 1 342.395 2.342 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001607633180 1351529812 /nfs/dbraw/zinc/52/98/12/1351529812.db2.gz GXOYPLBDKLXCOG-HNNXBMFYSA-N -1 1 341.319 2.006 20 0 EEADMM Cc1cc([C@@H]2CCCCN2Cc2noc(CCCC(=O)[O-])n2)n[nH]1 ZINC001607635001 1351530061 /nfs/dbraw/zinc/53/00/61/1351530061.db2.gz WQRLGNDMZVIANZ-ZDUSSCGKSA-N -1 1 333.392 2.236 20 0 EEADMM Cc1cc(CNC(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)n[nH]1 ZINC001607644829 1351532478 /nfs/dbraw/zinc/53/24/78/1351532478.db2.gz XRSDKYFLMPVWKB-SECBINFHSA-N -1 1 336.323 2.031 20 0 EEADMM Cc1cc(CNS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC001607650145 1351533464 /nfs/dbraw/zinc/53/34/64/1351533464.db2.gz YOSWTVJQONNRML-UHFFFAOYSA-N -1 1 345.380 2.048 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC001607740867 1351550044 /nfs/dbraw/zinc/55/00/44/1351550044.db2.gz BYVWPLQTHXQWNC-CQSZACIVSA-N -1 1 348.399 2.351 20 0 EEADMM Cc1ccc(CCNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1C ZINC001607777634 1351556669 /nfs/dbraw/zinc/55/66/69/1351556669.db2.gz VCYWZHOKCWXXNN-MRXNPFEDSA-N -1 1 347.459 2.036 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001607850279 1351571357 /nfs/dbraw/zinc/57/13/57/1351571357.db2.gz FCCQMNKHKJJZBR-IXDOHACOSA-N -1 1 330.428 2.329 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001607921268 1351585983 /nfs/dbraw/zinc/58/59/83/1351585983.db2.gz PHUNRBXZDLUQDW-UHFFFAOYSA-N -1 1 326.312 2.253 20 0 EEADMM Cc1nc(C)c(NS(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001607952060 1351591771 /nfs/dbraw/zinc/59/17/71/1351591771.db2.gz IXNGFNSVHZPJSW-GFCCVEGCSA-N -1 1 340.426 2.370 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC001608332836 1351672841 /nfs/dbraw/zinc/67/28/41/1351672841.db2.gz MZYCLMGHDCWCDY-GJZGRUSLSA-N -1 1 346.427 2.462 20 0 EEADMM O=C(Nc1cncnc1-n1cccn1)c1ccc2ccc(O)cc2c1[O-] ZINC001643962269 1352756557 /nfs/dbraw/zinc/75/65/57/1352756557.db2.gz GZFCPKQKCHWJHD-UHFFFAOYSA-N -1 1 347.334 2.479 20 0 EEADMM CC[C@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)C1 ZINC001646689338 1352924538 /nfs/dbraw/zinc/92/45/38/1352924538.db2.gz OGHZUXGFKQUUPK-NSHDSACASA-N -1 1 328.420 2.482 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001650283348 1353820306 /nfs/dbraw/zinc/82/03/06/1353820306.db2.gz AMBRCRPDDPPXJZ-ZWNOBZJWSA-N -1 1 328.420 2.480 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(OCC2CC2)nc1 ZINC000066638568 1354078679 /nfs/dbraw/zinc/07/86/79/1354078679.db2.gz JLZRHZLKMLZXFI-UHFFFAOYSA-N -1 1 345.428 2.389 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)c2ccccc2)sn1 ZINC001661366703 1354631299 /nfs/dbraw/zinc/63/12/99/1354631299.db2.gz QDKZMKLEAHTDIL-HNNXBMFYSA-N -1 1 348.453 2.253 20 0 EEADMM Cc1nc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])n[nH]1 ZINC000084389647 1356240848 /nfs/dbraw/zinc/24/08/48/1356240848.db2.gz SRSBZUBJCZQDHP-UHFFFAOYSA-N -1 1 345.584 2.165 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ccoc1)c1ncccc1[O-] ZINC001388810618 1387721909 /nfs/dbraw/zinc/72/19/09/1387721909.db2.gz SINYTCPUCNSHCN-AWEZNQCLSA-N -1 1 343.383 2.195 20 0 EEADMM C[C@H](C(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001388848504 1387749370 /nfs/dbraw/zinc/74/93/70/1387749370.db2.gz JFBONMGNVLPQSQ-ZIAGYGMSSA-N -1 1 347.459 2.390 20 0 EEADMM COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccsc1)c1ccccc1 ZINC001185405820 1368153639 /nfs/dbraw/zinc/15/36/39/1368153639.db2.gz AJHRLPALNKBVLN-AWEZNQCLSA-N -1 1 325.411 2.115 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)NC2 ZINC001185837094 1368171764 /nfs/dbraw/zinc/17/17/64/1368171764.db2.gz VDWPFPVLROXPRV-UHFFFAOYSA-N -1 1 334.372 2.107 20 0 EEADMM COc1ccc(NC(=O)Nc2ccc(C(N)=O)c([O-])c2)cc1OC ZINC001188806193 1368319576 /nfs/dbraw/zinc/31/95/76/1368319576.db2.gz JEFMVBYCBZUSEU-UHFFFAOYSA-N -1 1 331.328 2.152 20 0 EEADMM COc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)nc1OC ZINC001189420693 1368357003 /nfs/dbraw/zinc/35/70/03/1368357003.db2.gz VQMGTZXOABDSTL-UHFFFAOYSA-N -1 1 344.339 2.319 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCO[C@@H](COc2ccccc2)C1 ZINC001195306315 1368516101 /nfs/dbraw/zinc/51/61/01/1368516101.db2.gz WOLDPGKIAFWTLK-CQSZACIVSA-N -1 1 348.786 2.361 20 0 EEADMM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CNC(=O)C3(C)C)n1 ZINC001195331292 1368521070 /nfs/dbraw/zinc/52/10/70/1368521070.db2.gz WHQSFMCKVIDUHZ-UHFFFAOYSA-N -1 1 325.368 2.255 20 0 EEADMM CC(=O)C[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195445615 1368530899 /nfs/dbraw/zinc/53/08/99/1368530899.db2.gz NSLBZFNCOYKMET-UHFFFAOYSA-N -1 1 344.589 2.109 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cn(-c3ccccc3)nc2C)n1 ZINC001199204648 1368676809 /nfs/dbraw/zinc/67/68/09/1368676809.db2.gz RFAHAWGITDQHCD-UHFFFAOYSA-N -1 1 339.355 2.333 20 0 EEADMM CCC[C@@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001489645883 1369152048 /nfs/dbraw/zinc/15/20/48/1369152048.db2.gz DOLNRYHXHSJLHP-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)S(=O)(=O)[N-]c1cc(Cl)nn(-c2ccccc2)c1=O ZINC001252570612 1369538306 /nfs/dbraw/zinc/53/83/06/1369538306.db2.gz RPGRTLUVUMTPJH-UHFFFAOYSA-N -1 1 327.793 2.036 20 0 EEADMM O=C(c1cccc(NCc2ccccn2)c1)N1CCC[C@H]1c1nn[n-]n1 ZINC000900389609 1369923208 /nfs/dbraw/zinc/92/32/08/1369923208.db2.gz GRCDLMILSXRFOJ-INIZCTEOSA-N -1 1 349.398 2.184 20 0 EEADMM N[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1c1ccccc1 ZINC000900462850 1369923822 /nfs/dbraw/zinc/92/38/22/1369923822.db2.gz OPCWWVNERKLHDE-AXVVYFOYSA-N -1 1 336.391 2.301 20 0 EEADMM N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H]1c1ccccc1 ZINC000900462852 1369923946 /nfs/dbraw/zinc/92/39/46/1369923946.db2.gz OPCWWVNERKLHDE-TVKQPGBESA-N -1 1 336.391 2.301 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001072175186 1370632858 /nfs/dbraw/zinc/63/28/58/1370632858.db2.gz NZRKMUKBAHRSIM-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000780512876 1371163638 /nfs/dbraw/zinc/16/36/38/1371163638.db2.gz IYJHZUGJQLIECB-KBPBESRZSA-N -1 1 337.420 2.277 20 0 EEADMM CC[C@]([N-]C(=O)C(F)(F)c1c(F)cccc1F)(C(N)=O)C(C)C ZINC000781931006 1371254898 /nfs/dbraw/zinc/25/48/98/1371254898.db2.gz RNBQFZOKYIPIIZ-CQSZACIVSA-N -1 1 334.313 2.463 20 0 EEADMM CCc1c(C(=O)Nc2nc(Br)ccc2[O-])cnn1C ZINC000783905892 1371373796 /nfs/dbraw/zinc/37/37/96/1371373796.db2.gz NTSXTNYFZWJGPU-UHFFFAOYSA-N -1 1 325.166 2.098 20 0 EEADMM COC(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)[n-]1 ZINC000797015497 1371495724 /nfs/dbraw/zinc/49/57/24/1371495724.db2.gz OCVYMPVQJSQPTL-UHFFFAOYSA-N -1 1 328.324 2.295 20 0 EEADMM Cc1nc([C@H](C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)no1 ZINC001116426839 1371725912 /nfs/dbraw/zinc/72/59/12/1371725912.db2.gz IZLAQTCFQPCYFI-JTQLQIEISA-N -1 1 348.384 2.214 20 0 EEADMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001118130598 1371777905 /nfs/dbraw/zinc/77/79/05/1371777905.db2.gz DRWGHFWGWPNSOQ-RKDXNWHRSA-N -1 1 341.260 2.464 20 0 EEADMM CC(C)CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389540698 1388182959 /nfs/dbraw/zinc/18/29/59/1388182959.db2.gz XBHPYMBPCYZYAY-UONOGXRCSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(CN[C@@H](CCO)c1ccccc1F)[N-]OCc1ccccc1 ZINC000830356268 1372325791 /nfs/dbraw/zinc/32/57/91/1372325791.db2.gz YKRWVTFOIXAIDX-KRWDZBQOSA-N -1 1 332.375 2.087 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000830840734 1372352095 /nfs/dbraw/zinc/35/20/95/1372352095.db2.gz LQUIGDRRELSFSZ-KIUWMYQTSA-N -1 1 326.318 2.369 20 0 EEADMM NC(=O)c1ccc(OC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001140947272 1372723546 /nfs/dbraw/zinc/72/35/46/1372723546.db2.gz DTOIHSBYYXOUIK-UHFFFAOYSA-N -1 1 344.367 2.120 20 0 EEADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@H](C)C(=O)Nc1ncccc1O ZINC001362517355 1373426614 /nfs/dbraw/zinc/42/66/14/1373426614.db2.gz JZPIABTXSIHHIM-UWVGGRQHSA-N -1 1 347.346 2.025 20 0 EEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@H](C)C(=O)Nc1ncccc1O ZINC001362517366 1373426796 /nfs/dbraw/zinc/42/67/96/1373426796.db2.gz JZPIABTXSIHHIM-VHSXEESVSA-N -1 1 347.346 2.025 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cn2)C1 ZINC001363348653 1373507246 /nfs/dbraw/zinc/50/72/46/1373507246.db2.gz HVMREYGDRHALIA-VXGBXAGGSA-N -1 1 335.404 2.210 20 0 EEADMM Cc1ncoc1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC001364968949 1373641211 /nfs/dbraw/zinc/64/12/11/1373641211.db2.gz BSLAHMMPKQYJGU-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM CSc1nc(CNC(=O)Nc2cc(Cl)ccn2)cc(=O)[n-]1 ZINC001365055397 1373659926 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20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001381232772 1381570984 /nfs/dbraw/zinc/57/09/84/1381570984.db2.gz KTWOXWDUFTXLIA-CYBMUJFWSA-N -1 1 347.459 2.436 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1occc1C ZINC001383207225 1382390312 /nfs/dbraw/zinc/39/03/12/1382390312.db2.gz VBRYYYUQFQBTBO-ZDUSSCGKSA-N -1 1 345.399 2.407 20 0 EEADMM CCN(C(=O)CCC(F)(F)F)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383716433 1382685824 /nfs/dbraw/zinc/68/58/24/1382685824.db2.gz GHQKCPOTSFPUGM-SNVBAGLBSA-N -1 1 347.337 2.097 20 0 EEADMM CCN(C(=O)c1[nH]c(C)cc1C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383718939 1382686243 /nfs/dbraw/zinc/68/62/43/1382686243.db2.gz UQQGRXWEMRQPQU-CYBMUJFWSA-N -1 1 344.415 2.013 20 0 EEADMM COc1cc([N-]S(=O)(=O)N=S(C)(C)=O)ccc1C(F)(F)F ZINC001771907070 1406277153 /nfs/dbraw/zinc/27/71/53/1406277153.db2.gz BCUBNKVJQVTEFS-UHFFFAOYSA-N -1 1 346.352 2.098 20 0 EEADMM CCCC1(C(=O)N(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001386611912 1386216646 /nfs/dbraw/zinc/21/66/46/1386216646.db2.gz WOALIZSQIVOFND-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1csc(Cl)c1 ZINC001386740441 1386290134 /nfs/dbraw/zinc/29/01/34/1386290134.db2.gz HWESZNVVQPRZPY-QMMMGPOBSA-N -1 1 339.804 2.050 20 0 EEADMM C[C@@H](CC(=O)NC[C@H](C)NC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001387165023 1386544290 /nfs/dbraw/zinc/54/42/90/1386544290.db2.gz HBHYRWAPKNIYAM-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H](NC(=O)C(C)(C)C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001387547351 1386825019 /nfs/dbraw/zinc/82/50/19/1386825019.db2.gz YHVZTZPWWCMXPW-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1)c1ccoc1 ZINC001394183384 1390639821 /nfs/dbraw/zinc/63/98/21/1390639821.db2.gz QEEKYKTZSBOQBR-AWEZNQCLSA-N -1 1 343.383 2.099 20 0 EEADMM CN(C(=O)CC(C)(C)C)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001395481409 1390827033 /nfs/dbraw/zinc/82/70/33/1390827033.db2.gz YYENGEYEEDVOIV-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001395857823 1390866592 /nfs/dbraw/zinc/86/65/92/1390866592.db2.gz GJRMWRMFQCXMEM-OLZOCXBDSA-N -1 1 333.432 2.189 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397028359 1391015160 /nfs/dbraw/zinc/01/51/60/1391015160.db2.gz ZDIBGOLCQSYPQQ-RBSFLKMASA-N -1 1 345.443 2.094 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001397125736 1391095175 /nfs/dbraw/zinc/09/51/75/1391095175.db2.gz GCXQAEKGLHZBPN-SCLBCKFNSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001399357155 1395003036 /nfs/dbraw/zinc/00/30/36/1395003036.db2.gz SACDLJYBFAFQQR-KBPBESRZSA-N -1 1 335.448 2.342 20 0 EEADMM CCCC[C@H](CN[C@@H](C)c1nnc(C)o1)NC(=O)c1ncccc1[O-] ZINC001422687546 1400125204 /nfs/dbraw/zinc/12/52/04/1400125204.db2.gz SVCZBVDFSANOKK-WCQYABFASA-N -1 1 347.419 2.118 20 0 EEADMM CC(C)CC(=O)NCCN(Cc1n[nH]c(=O)[n-]1)C1CCCCCC1 ZINC001423325415 1400523207 /nfs/dbraw/zinc/52/32/07/1400523207.db2.gz PAPZLEBEOXLZSV-UHFFFAOYSA-N -1 1 337.468 2.197 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CCCC(F)(F)F ZINC001424106918 1400915172 /nfs/dbraw/zinc/91/51/72/1400915172.db2.gz QMYJIUBWGPOHGR-JTQLQIEISA-N -1 1 347.337 2.097 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001424498869 1401136554 /nfs/dbraw/zinc/13/65/54/1401136554.db2.gz HLXJFDMRWJAXER-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccccc1C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001425600929 1401656664 /nfs/dbraw/zinc/65/66/64/1401656664.db2.gz USVBIMSHIKSHJF-GFCCVEGCSA-N -1 1 345.447 2.058 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCC1 ZINC001426024197 1401857390 /nfs/dbraw/zinc/85/73/90/1401857390.db2.gz VIHCCSZXMNLTGY-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc2c(c1)C[C@@H](C)O2)c1nn[n-]n1 ZINC001426320278 1402040397 /nfs/dbraw/zinc/04/03/97/1402040397.db2.gz OSBPXPRZGNGMRY-SKDRFNHKSA-N -1 1 348.432 2.139 20 0 EEADMM CCN(C(=O)c1cc(C)cs1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001426332375 1402043486 /nfs/dbraw/zinc/04/34/86/1402043486.db2.gz BEOZOQBMZSRFAJ-GFCCVEGCSA-N -1 1 347.440 2.438 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001427522448 1402459623 /nfs/dbraw/zinc/45/96/23/1402459623.db2.gz YARHEGURGWCKNT-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CCC[C@@H](C)CC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001427532047 1402464734 /nfs/dbraw/zinc/46/47/34/1402464734.db2.gz IUWGVNJKRDGZTA-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cccc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c1F ZINC001427580127 1402491036 /nfs/dbraw/zinc/49/10/36/1402491036.db2.gz PEYDPPJMWJLTRJ-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001433865135 1403440231 /nfs/dbraw/zinc/44/02/31/1403440231.db2.gz LDPVIXIJJOQZDT-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@@H]1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001577393691 1403644375 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20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590500804 1403881528 /nfs/dbraw/zinc/88/15/28/1403881528.db2.gz ZTISPXKUQPACJB-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590500804 1403881532 /nfs/dbraw/zinc/88/15/32/1403881532.db2.gz ZTISPXKUQPACJB-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM CCN1CCN(Cc2nc(-c3nnn[n-]3)cs2)c2ccccc21 ZINC001590736014 1403891967 /nfs/dbraw/zinc/89/19/67/1403891967.db2.gz ADSAPEHHJBHFIE-UHFFFAOYSA-N -1 1 327.417 2.170 20 0 EEADMM CCN1CCN(Cc2nc(-c3nn[n-]n3)cs2)c2ccccc21 ZINC001590736014 1403891972 /nfs/dbraw/zinc/89/19/72/1403891972.db2.gz ADSAPEHHJBHFIE-UHFFFAOYSA-N -1 1 327.417 2.170 20 0 EEADMM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591640001 1403932205 /nfs/dbraw/zinc/93/22/05/1403932205.db2.gz ORVSZKOOKZYMPV-MRVPVSSYSA-N -1 1 345.334 2.407 20 0 EEADMM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591640001 1403932212 /nfs/dbraw/zinc/93/22/12/1403932212.db2.gz ORVSZKOOKZYMPV-MRVPVSSYSA-N -1 1 345.334 2.407 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591651550 1403933942 /nfs/dbraw/zinc/93/39/42/1403933942.db2.gz BINNCQWFHAIEPO-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001591651551 1403935965 /nfs/dbraw/zinc/93/59/65/1403935965.db2.gz BINNCQWFHAIEPO-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)c2cc(F)c(C)cc2F)c1C ZINC001591986132 1403980546 /nfs/dbraw/zinc/98/05/46/1403980546.db2.gz MNSMOBLQVDURLM-UHFFFAOYSA-N -1 1 332.314 2.150 20 0 EEADMM Cc1ccc(CN(CC2CC2)C(=O)c2coc(-c3nnn[n-]3)c2)cn1 ZINC001592152870 1404008044 /nfs/dbraw/zinc/00/80/44/1404008044.db2.gz NEJBNUGXCBDKQH-UHFFFAOYSA-N -1 1 338.371 2.216 20 0 EEADMM Cc1ccc(CN(CC2CC2)C(=O)c2coc(-c3nn[n-]n3)c2)cn1 ZINC001592152870 1404008049 /nfs/dbraw/zinc/00/80/49/1404008049.db2.gz NEJBNUGXCBDKQH-UHFFFAOYSA-N -1 1 338.371 2.216 20 0 EEADMM Cc1nsc(N[C@H](C)[C@@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482292 1404701000 /nfs/dbraw/zinc/70/10/00/1404701000.db2.gz BVFILVRAXXITKC-RKDXNWHRSA-N -1 1 347.448 2.047 20 0 EEADMM Cc1nsc(NC(=O)c2cc(F)c(F)cc2F)c1-c1nnn[n-]1 ZINC001592482236 1404702225 /nfs/dbraw/zinc/70/22/25/1404702225.db2.gz ZPMOGTOMAHLKDY-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1nsc(NC(=O)c2cc(F)c(F)cc2F)c1-c1nn[n-]n1 ZINC001592482236 1404702229 /nfs/dbraw/zinc/70/22/29/1404702229.db2.gz ZPMOGTOMAHLKDY-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1nsc(NCCCC[C@@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592490167 1404702241 /nfs/dbraw/zinc/70/22/41/1404702241.db2.gz OYBROQHKGYRYFB-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM O=C(NCCc1ccc2[nH]ccc2c1)c1csc(-c2nn[n-]n2)c1 ZINC001593105962 1404743453 /nfs/dbraw/zinc/74/34/53/1404743453.db2.gz GRNYPWUKTAQECY-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C3CC3)cnc2Cl)c1-c1nn[n-]n1 ZINC001606014919 1404754665 /nfs/dbraw/zinc/75/46/65/1404754665.db2.gz SWSIQOQRFZAJIE-UHFFFAOYSA-N -1 1 344.766 2.076 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H]1CCCC1(F)F ZINC001606166292 1404771057 /nfs/dbraw/zinc/77/10/57/1404771057.db2.gz AICNNZZWKWVYSE-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H]1CCCC1(F)F ZINC001606166292 1404771062 /nfs/dbraw/zinc/77/10/62/1404771062.db2.gz AICNNZZWKWVYSE-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM Fc1cccc(-c2nc(CNc3cccc(-c4nnn[n-]4)n3)no2)c1 ZINC001606327167 1404792725 /nfs/dbraw/zinc/79/27/25/1404792725.db2.gz CTZCLWMSGWNOMQ-UHFFFAOYSA-N -1 1 338.306 2.063 20 0 EEADMM Fc1cccc(-c2nc(CNc3cccc(-c4nn[n-]n4)n3)no2)c1 ZINC001606327167 1404792730 /nfs/dbraw/zinc/79/27/30/1404792730.db2.gz CTZCLWMSGWNOMQ-UHFFFAOYSA-N -1 1 338.306 2.063 20 0 EEADMM Fc1cccc(-n2ccc(NCc3cnsc3)n2)c1-c1nn[n-]n1 ZINC001606327469 1404793947 /nfs/dbraw/zinc/79/39/47/1404793947.db2.gz RHLAJDMHUKHMFT-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM Fc1cccc(SCc2[nH]nc3c2COCC3)c1-c1nn[n-]n1 ZINC001606332550 1404795806 /nfs/dbraw/zinc/79/58/06/1404795806.db2.gz MEIAPHDDLAYVME-UHFFFAOYSA-N -1 1 332.364 2.094 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1noc2ccccc12 ZINC001645065327 1404822230 /nfs/dbraw/zinc/82/22/30/1404822230.db2.gz JOJSLQGXFRNNBZ-UHFFFAOYSA-N -1 1 330.369 2.284 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H](c2ncon2)C1 ZINC001645207908 1404825421 /nfs/dbraw/zinc/82/54/21/1404825421.db2.gz LPNJRWAONRWJBU-LLVKDONJSA-N -1 1 325.324 2.264 20 0 EEADMM C=C/C(C)=C/CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001756597090 1409120838 /nfs/dbraw/zinc/12/08/38/1409120838.db2.gz CILUCUIMHPUBIA-NAICIEFVSA-N -1 1 329.400 2.029 20 0 EEADMM CC(C)N(CCN(C)C(=O)[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001756693541 1409211331 /nfs/dbraw/zinc/21/13/31/1409211331.db2.gz FGOBWBOMFFDCBR-OAHLLOKOSA-N -1 1 345.443 2.453 20 0 EEADMM C/C=C(\C)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001756865990 1409419596 /nfs/dbraw/zinc/41/95/96/1409419596.db2.gz YJYFGNFHLNSUKL-QJIMOZNHSA-N -1 1 331.416 2.207 20 0 EEADMM C[C@@H](NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC001772426545 1410184298 /nfs/dbraw/zinc/18/42/98/1410184298.db2.gz HZARKZMAZZQJOL-SECBINFHSA-N -1 1 347.312 2.207 20 0 EEADMM Cc1cc(CNC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])no1 ZINC001087154775 759693376 /nfs/dbraw/zinc/69/33/76/759693376.db2.gz JOKIOKXTCGJCFT-DOMZBBRYSA-N -1 1 344.415 2.114 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCC2(O)CCOCC2)cc1 ZINC001167555857 760331996 /nfs/dbraw/zinc/33/19/96/760331996.db2.gz VBMIKUSLXPFLBE-NSHDSACASA-N -1 1 346.349 2.380 20 0 EEADMM C[C@@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000780354260 761496521 /nfs/dbraw/zinc/49/65/21/761496521.db2.gz PKUDUYWHLFACEP-LLVKDONJSA-N -1 1 339.823 2.077 20 0 EEADMM CC(C)C[C@H](CNc1ncc(Cl)cn1)NC(=O)c1ncccc1[O-] ZINC001104934838 765605248 /nfs/dbraw/zinc/60/52/48/765605248.db2.gz KPKSNKXHEBQPAZ-GFCCVEGCSA-N -1 1 349.822 2.487 20 0 EEADMM Cc1cc(C)nc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935750 765606847 /nfs/dbraw/zinc/60/68/47/765606847.db2.gz WLGKCMULKKETRA-AWEZNQCLSA-N -1 1 343.431 2.451 20 0 EEADMM O=C(NC[C@H]1CCCN1CC=C(Cl)Cl)c1ncccc1[O-] ZINC001027844326 773434430 /nfs/dbraw/zinc/43/44/30/773434430.db2.gz QHYWUNHASZUNDO-SNVBAGLBSA-N -1 1 330.215 2.300 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000981027215 776402445 /nfs/dbraw/zinc/40/24/45/776402445.db2.gz VZEVTPDWIJAHLB-UHFFFAOYSA-N -1 1 347.365 2.414 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H](CCNc2cnc(F)cn2)C1 ZINC001063272328 790537069 /nfs/dbraw/zinc/53/70/69/790537069.db2.gz NSOZBXWMGOKHLG-GFCCVEGCSA-N -1 1 345.378 2.071 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000940130094 778137502 /nfs/dbraw/zinc/13/75/02/778137502.db2.gz FRJIHNMTEUGGHT-ZIAGYGMSSA-N -1 1 343.427 2.088 20 0 EEADMM CC[N@@H+]1CC=C(c2cnc(NCCOP(=O)([O-])[O-])c(C)c2)CC1 ZINC001168590040 790675096 /nfs/dbraw/zinc/67/50/96/790675096.db2.gz SVUMQNWMIYKBIU-UHFFFAOYSA-N -1 1 341.348 2.020 20 0 EEADMM CC1(C)CCC(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000941131699 779973019 /nfs/dbraw/zinc/97/30/19/779973019.db2.gz GGASSZVHIKXIDD-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CCS(=O)(CC)=NC([O-])=CS(=O)(=O)CCCc1ccccc1 ZINC000925891109 780007537 /nfs/dbraw/zinc/00/75/37/780007537.db2.gz OHLNRBYSOSRIRD-UHFFFAOYSA-N -1 1 345.486 2.068 20 0 EEADMM CCC[C@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000182943635 780053972 /nfs/dbraw/zinc/05/39/72/780053972.db2.gz YKUZWDVACBFTJZ-PWSUYJOCSA-N -1 1 340.807 2.402 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078425 780549699 /nfs/dbraw/zinc/54/96/99/780549699.db2.gz ZCOYYXZIOYIPTK-VIFPVBQESA-N -1 1 348.476 2.088 20 0 EEADMM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000060860633 790804920 /nfs/dbraw/zinc/80/49/20/790804920.db2.gz JESKGUBRAWMPSY-JYRVWZFOSA-N -1 1 331.441 2.499 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])CC1 ZINC000936968019 780606194 /nfs/dbraw/zinc/60/61/94/780606194.db2.gz YKGZSOHMRVAXBN-AJNGGQMLSA-N -1 1 343.427 2.039 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ccnc3nc[nH]c32)Cc2ccccc2C1 ZINC001167936762 781006312 /nfs/dbraw/zinc/00/63/12/781006312.db2.gz NSJNDAREUITSRH-UHFFFAOYSA-N -1 1 330.284 2.043 20 0 EEADMM O=[P@@]([O-])(O)C1(Nc2ccnc3[nH]cnc32)Cc2ccccc2C1 ZINC001167936762 781006320 /nfs/dbraw/zinc/00/63/20/781006320.db2.gz NSJNDAREUITSRH-UHFFFAOYSA-N -1 1 330.284 2.043 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ccnc3[nH]cnc32)Cc2ccccc2C1 ZINC001167936762 781006327 /nfs/dbraw/zinc/00/63/27/781006327.db2.gz NSJNDAREUITSRH-UHFFFAOYSA-N -1 1 330.284 2.043 20 0 EEADMM Cc1cc(C([O-])=C[S@@](=O)c2ccc3c(c2)OCCO3)c(C)n1C ZINC000518121139 781290936 /nfs/dbraw/zinc/29/09/36/781290936.db2.gz SQZSGXNKRTZUMP-HSZRJFAPSA-N -1 1 333.409 2.404 20 0 EEADMM Cc1cscc1C(=O)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088290609 783386046 /nfs/dbraw/zinc/38/60/46/783386046.db2.gz OQACOQBGBRMILL-GFCCVEGCSA-N -1 1 349.460 2.055 20 0 EEADMM CCN(C(=O)c1cc(C)co1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942925521 783472961 /nfs/dbraw/zinc/47/29/61/783472961.db2.gz IGGXFAQMPHEVKW-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM O=C([O-])c1cc(NC[C@H]2CSCCN2Cc2ccccc2)ncn1 ZINC000906144777 783735915 /nfs/dbraw/zinc/73/59/15/783735915.db2.gz PJHOHHSPFNAQDM-AWEZNQCLSA-N -1 1 344.440 2.204 20 0 EEADMM O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000816497994 784068426 /nfs/dbraw/zinc/06/84/26/784068426.db2.gz BLMGSLOHYJJNAP-AWEZNQCLSA-N -1 1 343.383 2.049 20 0 EEADMM O=C(Nc1ccncc1[O-])c1cc(Br)ncc1Cl ZINC000779825300 784405564 /nfs/dbraw/zinc/40/55/64/784405564.db2.gz ZNCAIKPUEDPXSF-UHFFFAOYSA-N -1 1 328.553 2.272 20 0 EEADMM C[C@H](NC(=O)c1ccoc1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945623887 784534014 /nfs/dbraw/zinc/53/40/14/784534014.db2.gz RUAOBNLZPVZRFA-QWHCGFSZSA-N -1 1 343.383 2.051 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479410 784685641 /nfs/dbraw/zinc/68/56/41/784685641.db2.gz KBAVYTAPLZEUQF-ZDUSSCGKSA-N -1 1 343.412 2.114 20 0 EEADMM CCCn1cc([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)cn1 ZINC000817351760 784689907 /nfs/dbraw/zinc/68/99/07/784689907.db2.gz CEXHTTOXTDJOSJ-INIZCTEOSA-N -1 1 337.445 2.293 20 0 EEADMM C[C@H]1CCCN(C(=O)CCC2CC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945744096 784753278 /nfs/dbraw/zinc/75/32/78/784753278.db2.gz RTVRLGVUFMNJLS-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM COc1cc(OC)cc(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000907644682 784769963 /nfs/dbraw/zinc/76/99/63/784769963.db2.gz SBAXRSQHGLVUCI-UHFFFAOYSA-N -1 1 329.356 2.353 20 0 EEADMM COc1ccc([C@@H]2[C@H](C(=O)[N-]OCCC3CC3)CCC(=O)N2C)cc1 ZINC000817445938 784787585 /nfs/dbraw/zinc/78/75/85/784787585.db2.gz CKJQORWWSVCQRA-SJLPKXTDSA-N -1 1 346.427 2.453 20 0 EEADMM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907783753 784864015 /nfs/dbraw/zinc/86/40/15/784864015.db2.gz NIJIEGKFNSFVMA-GOSISDBHSA-N -1 1 347.415 2.111 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC000817789922 784995534 /nfs/dbraw/zinc/99/55/34/784995534.db2.gz LCAUOCVBZNSELM-LBPRGKRZSA-N -1 1 327.384 2.350 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945882688 785024994 /nfs/dbraw/zinc/02/49/94/785024994.db2.gz KGHZRGIQPWYLHI-CABCVRRESA-N -1 1 345.443 2.286 20 0 EEADMM CN(C)C(=O)OC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000818674151 785326594 /nfs/dbraw/zinc/32/65/94/785326594.db2.gz KJKPEFLINVEWSX-UHFFFAOYSA-N -1 1 326.780 2.348 20 0 EEADMM Cc1cn2c(CNC(=O)c3cnc(C4CC4)[n-]c3=O)c(C)nc2s1 ZINC000908450174 785400597 /nfs/dbraw/zinc/40/05/97/785400597.db2.gz TWEYIOOUADIWRL-UHFFFAOYSA-N -1 1 343.412 2.316 20 0 EEADMM CCn1nc(C)c(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC000819602246 785612327 /nfs/dbraw/zinc/61/23/27/785612327.db2.gz PNDHDZNCDXNOLP-UHFFFAOYSA-N -1 1 330.285 2.293 20 0 EEADMM O=C(C[C@H]1CCC(=O)NC1)Nc1cccc([O-])c1Br ZINC000908708168 785661811 /nfs/dbraw/zinc/66/18/11/785661811.db2.gz PEDCTMGEFJNZNO-MRVPVSSYSA-N -1 1 327.178 2.010 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000908730325 785669599 /nfs/dbraw/zinc/66/95/99/785669599.db2.gz SQOKIGOCHCNULU-ZDUSSCGKSA-N -1 1 329.356 2.077 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908799165 785733715 /nfs/dbraw/zinc/73/37/15/785733715.db2.gz MZPWOSPQGYQGKX-MAUKXSAKSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)C1CC1 ZINC000908799165 785733724 /nfs/dbraw/zinc/73/37/24/785733724.db2.gz MZPWOSPQGYQGKX-MAUKXSAKSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1c2ccccc2oc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908805763 785738418 /nfs/dbraw/zinc/73/84/18/785738418.db2.gz CUKPYVLPWOWQPV-ZDUSSCGKSA-N -1 1 330.384 2.154 20 0 EEADMM O=C([O-])CSCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000909231474 786113343 /nfs/dbraw/zinc/11/33/43/786113343.db2.gz NFXPCRCYWMATRU-UHFFFAOYSA-N -1 1 345.833 2.339 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)n[nH]2)cc1C ZINC000909267978 786141516 /nfs/dbraw/zinc/14/15/16/786141516.db2.gz IKNKXQSGTPHASS-AWEZNQCLSA-N -1 1 343.383 2.009 20 0 EEADMM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)CN2CCOCC2)c1 ZINC000909836036 786293004 /nfs/dbraw/zinc/29/30/04/786293004.db2.gz ZRCVJMRVHSANED-CYBMUJFWSA-N -1 1 334.416 2.172 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909932505 786344499 /nfs/dbraw/zinc/34/44/99/786344499.db2.gz NIJXDVRSNFEDRF-GOEBONIOSA-N -1 1 336.407 2.060 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@@H]2CCCC[C@H]12 ZINC000909964703 786365585 /nfs/dbraw/zinc/36/55/85/786365585.db2.gz WRCROIUGAGREMV-JTNHKYCSSA-N -1 1 328.372 2.063 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]cc3ncnc2-3)[C@@H]2CCCC[C@H]12 ZINC000909965865 786366717 /nfs/dbraw/zinc/36/67/17/786366717.db2.gz ZOEMKYQKBNGIQL-JTNHKYCSSA-N -1 1 328.372 2.063 20 0 EEADMM CO[C@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H](C(=O)[O-])C1 ZINC000909982989 786380642 /nfs/dbraw/zinc/38/06/42/786380642.db2.gz OXTRRUZMVJKTRL-SWLSCSKDSA-N -1 1 335.404 2.162 20 0 EEADMM C[C@@H](C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)N(C)C ZINC000910034773 786410986 /nfs/dbraw/zinc/41/09/86/786410986.db2.gz YOXGWCJWQDXGHW-WMLDXEAASA-N -1 1 332.444 2.434 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CC1(c2ccccc2)CCC1 ZINC000820782682 786472462 /nfs/dbraw/zinc/47/24/62/786472462.db2.gz UCUGWDWTLOHFJO-UHFFFAOYSA-N -1 1 342.486 2.205 20 0 EEADMM O=C(CCCc1nn[n-]n1)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000820831545 786488518 /nfs/dbraw/zinc/48/85/18/786488518.db2.gz NUSTTWKBMODMQB-CYBMUJFWSA-N -1 1 327.388 2.085 20 0 EEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000821197636 786633022 /nfs/dbraw/zinc/63/30/22/786633022.db2.gz GDQKZBAQNKCHAU-MRVPVSSYSA-N -1 1 339.364 2.129 20 0 EEADMM CC(C(=O)N1CCC[C@H](C)[C@@H]1CNCc1n[nH]c(=O)[n-]1)=C1CCCC1 ZINC001036532590 786707846 /nfs/dbraw/zinc/70/78/46/786707846.db2.gz GFBBCYOUDDKSMM-WFASDCNBSA-N -1 1 347.463 2.118 20 0 EEADMM CCC1(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)CCCCC1 ZINC000996654766 786988963 /nfs/dbraw/zinc/98/89/63/786988963.db2.gz YEHCTVDQIJQWPC-ZDUSSCGKSA-N -1 1 349.479 2.197 20 0 EEADMM CCN(C)[C@H](C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)c1ccccc1 ZINC000911159777 787279183 /nfs/dbraw/zinc/27/91/83/787279183.db2.gz YGNXQTHDDNHDIF-AAEUAGOBSA-N -1 1 332.322 2.201 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000911505871 787498366 /nfs/dbraw/zinc/49/83/66/787498366.db2.gz XMVJHJXNWVRAJG-ULQDDVLXSA-N -1 1 346.427 2.200 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000911505871 787498370 /nfs/dbraw/zinc/49/83/70/787498370.db2.gz XMVJHJXNWVRAJG-ULQDDVLXSA-N -1 1 346.427 2.200 20 0 EEADMM CC(C)c1nc(CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)n[nH]1 ZINC000911776861 787705625 /nfs/dbraw/zinc/70/56/25/787705625.db2.gz MDGJINODTPYLLH-KGLIPLIRSA-N -1 1 348.447 2.210 20 0 EEADMM CC(C)c1nnc(CC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)[nH]1 ZINC000911776861 787705631 /nfs/dbraw/zinc/70/56/31/787705631.db2.gz MDGJINODTPYLLH-KGLIPLIRSA-N -1 1 348.447 2.210 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NN1CCCC[C@H]1C ZINC000912153867 788006838 /nfs/dbraw/zinc/00/68/38/788006838.db2.gz GBCCZMZCLOMTOX-GFCCVEGCSA-N -1 1 341.415 2.001 20 0 EEADMM COC(=O)[C@](C)([N-]C(=O)C(F)F)c1cccc(Br)c1 ZINC000787338823 807096323 /nfs/dbraw/zinc/09/63/23/807096323.db2.gz LMCIULXKZVHQDR-GFCCVEGCSA-N -1 1 336.132 2.219 20 0 EEADMM C[C@H](CNc1ccnc(-c2ccccc2)n1)NC(=O)c1ncccc1[O-] ZINC001107690168 788070658 /nfs/dbraw/zinc/07/06/58/788070658.db2.gz LTJCNAWDNAQEEG-CYBMUJFWSA-N -1 1 349.394 2.475 20 0 EEADMM COc1ccccc1C(C)=CC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912859792 788417102 /nfs/dbraw/zinc/41/71/02/788417102.db2.gz CDYMKDSVTLAKGZ-OEYXZAGESA-N -1 1 347.444 2.222 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccccc1Cl)c1nn[n-]n1 ZINC000912860276 788419164 /nfs/dbraw/zinc/41/91/64/788419164.db2.gz QOSBJWAYVHEPQP-NSHDSACASA-N -1 1 325.825 2.006 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccc(C)cc1Cl)c1nn[n-]n1 ZINC000912861658 788422046 /nfs/dbraw/zinc/42/20/46/788422046.db2.gz TZKTYMJWKZSTEA-LBPRGKRZSA-N -1 1 339.852 2.315 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2Cc1ccccc1F ZINC001032369433 788538718 /nfs/dbraw/zinc/53/87/18/788538718.db2.gz CUMUWNXFWYKIPW-KBPBESRZSA-N -1 1 327.359 2.025 20 0 EEADMM Cc1c(C(=O)[N-]c2nc(C3CC3)no2)nnn1-c1ccc(F)c(F)c1 ZINC000844134488 788869512 /nfs/dbraw/zinc/86/95/12/788869512.db2.gz LCFSOVFLNIDALW-UHFFFAOYSA-N -1 1 346.297 2.367 20 0 EEADMM Cc1c2ccccc2nc(N2CCN(CCCCO)CC2)c1C(=O)[O-] ZINC000844211770 788930002 /nfs/dbraw/zinc/93/00/02/788930002.db2.gz YBLWQRLKXDAZDE-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM C[C@@H](CC(=O)N1CCOC[C@H]1c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC000913495615 788930564 /nfs/dbraw/zinc/93/05/64/788930564.db2.gz LWSDCTQZAYXIRW-RISCZKNCSA-N -1 1 349.822 2.022 20 0 EEADMM O=C(c1cc(I)ccc1[O-])N1CC[C@H](CF)C1 ZINC000711472625 789107888 /nfs/dbraw/zinc/10/78/88/789107888.db2.gz VGADFWAZRPRJPO-MRVPVSSYSA-N -1 1 349.143 2.428 20 0 EEADMM O=C([N-]NC(=S)NC1CCOCC1)c1c(Cl)cccc1Cl ZINC000057970859 789727470 /nfs/dbraw/zinc/72/74/70/789727470.db2.gz SJPVWPIXMRKXAZ-UHFFFAOYSA-N -1 1 348.255 2.281 20 0 EEADMM COc1ccc(Cl)cc1CN1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030243319 789869224 /nfs/dbraw/zinc/86/92/24/789869224.db2.gz BAYBNEUQXLAHQJ-UHFFFAOYSA-N -1 1 347.802 2.063 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062841010 789934034 /nfs/dbraw/zinc/93/40/34/789934034.db2.gz UDOGGRONKABDGQ-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1)c1cccnc1 ZINC001144562122 789938303 /nfs/dbraw/zinc/93/83/03/789938303.db2.gz ZJFKLLVLTGMQSK-CYBMUJFWSA-N -1 1 347.365 2.460 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CCOC(C)C ZINC000806018313 790071271 /nfs/dbraw/zinc/07/12/71/790071271.db2.gz UJRXZKZXEHNXTP-UHFFFAOYSA-N -1 1 345.399 2.453 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](CNc2cnc3ccccc3n2)C1 ZINC001060856406 790113320 /nfs/dbraw/zinc/11/33/20/790113320.db2.gz HDWNCKNCXDBQPY-CYBMUJFWSA-N -1 1 349.394 2.305 20 0 EEADMM Cc1onc(CO)c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC001146383586 791254759 /nfs/dbraw/zinc/25/47/59/791254759.db2.gz AZRUUJOZNYPWQA-UHFFFAOYSA-N -1 1 330.369 2.170 20 0 EEADMM O=C(NC[C@H]1CCCC[C@H]1NC(=O)C1CC=CC1)c1ncccc1[O-] ZINC000946381304 791469184 /nfs/dbraw/zinc/46/91/84/791469184.db2.gz RYRMLWNKUOQIMR-HUUCEWRRSA-N -1 1 343.427 2.158 20 0 EEADMM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)no2)nc1C1CC1 ZINC001146931766 791579498 /nfs/dbraw/zinc/57/94/98/791579498.db2.gz DAAZAIIBLAMISY-UHFFFAOYSA-N -1 1 337.357 2.446 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1cccc(F)n1 ZINC001063737495 791625591 /nfs/dbraw/zinc/62/55/91/791625591.db2.gz RPTQRHAHTJDJDI-RYUDHWBXSA-N -1 1 330.363 2.284 20 0 EEADMM Cc1cc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]2C)nc(C)n1 ZINC001063737558 791625608 /nfs/dbraw/zinc/62/56/08/791625608.db2.gz SPNVCAUQMCYKPC-FZMZJTMJSA-N -1 1 341.415 2.157 20 0 EEADMM Cc1ncc(CO)c(C(=O)N(C)CC/C=C/c2cccnc2)c1[O-] ZINC001147838163 791995738 /nfs/dbraw/zinc/99/57/38/791995738.db2.gz KTHBCJPKWCQYIM-ZZXKWVIFSA-N -1 1 327.384 2.158 20 0 EEADMM COc1ccccc1CC(C)(C)NC(=O)c1c(CO)cnc(C)c1[O-] ZINC001147848447 792005986 /nfs/dbraw/zinc/00/59/86/792005986.db2.gz KZPODTFVUVNYDX-UHFFFAOYSA-N -1 1 344.411 2.348 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cn(CCF)cn3)cc2)[n-]1 ZINC001148329805 792342463 /nfs/dbraw/zinc/34/24/63/792342463.db2.gz XEHDNRNHUNAUBR-UHFFFAOYSA-N -1 1 329.335 2.218 20 0 EEADMM O=C(NC1CC(CNC(=O)C2=CCCCCC2)C1)c1ncccc1[O-] ZINC000992064003 792542119 /nfs/dbraw/zinc/54/21/19/792542119.db2.gz WHOXKUOELGSNCI-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(Nc1cnc2occc2c1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148916696 792783145 /nfs/dbraw/zinc/78/31/45/792783145.db2.gz CKKWCYCVRMKNMV-UHFFFAOYSA-N -1 1 334.309 2.032 20 0 EEADMM C[C@H](NC(=O)c1cc([O-])c(Br)c(O)c1)[C@@H]1CCCO1 ZINC001148998688 792819741 /nfs/dbraw/zinc/81/97/41/792819741.db2.gz MZTCTBSUKYVQRI-CPCISQLKSA-N -1 1 330.178 2.158 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nc(C)ns1 ZINC001064395164 793024165 /nfs/dbraw/zinc/02/41/65/793024165.db2.gz GVORULVXFWFHSP-VXGBXAGGSA-N -1 1 347.444 2.300 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1cc(C)ncn1 ZINC001064396260 793029246 /nfs/dbraw/zinc/02/92/46/793029246.db2.gz XDHXHXAEHMFSMV-ZIAGYGMSSA-N -1 1 341.415 2.238 20 0 EEADMM CSc1ccnc(N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272939 793922417 /nfs/dbraw/zinc/92/24/17/793922417.db2.gz SFINOVDBIJVWBS-GHMZBOCLSA-N -1 1 347.444 2.308 20 0 EEADMM O=C(c1c2c(nc3ccccc31)CCC2)N1CCC(c2nn[n-]n2)CC1 ZINC000913742799 794202262 /nfs/dbraw/zinc/20/22/62/794202262.db2.gz VLJDRKXVIMMRJR-UHFFFAOYSA-N -1 1 348.410 2.256 20 0 EEADMM CCN(C(=O)CCC1CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079246453 794512624 /nfs/dbraw/zinc/51/26/24/794512624.db2.gz GSDNYFVPNHJBLO-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)C(C)=C1CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079592027 794995593 /nfs/dbraw/zinc/99/55/93/794995593.db2.gz 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CC[C@H]1CCCC[C@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001453372701 1106157493 /nfs/dbraw/zinc/15/74/93/1106157493.db2.gz ZEKNHAINYSAFDV-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001453600458 1106333065 /nfs/dbraw/zinc/33/30/65/1106333065.db2.gz OMSCXWWCDDBGSF-LIRRHRJNSA-N -1 1 345.443 2.288 20 0 EEADMM CC1(CC(=O)N2CCC(C)(CNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001453983286 1106634624 /nfs/dbraw/zinc/63/46/24/1106634624.db2.gz LGDXCPZVZBNYBP-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)C(C1CCC1)C1CCC1 ZINC001455209919 1108305989 /nfs/dbraw/zinc/30/59/89/1108305989.db2.gz OHYZXZGYCDRWDW-UHFFFAOYSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1)C1CCCC1 ZINC001455951042 1109016766 /nfs/dbraw/zinc/01/67/66/1109016766.db2.gz OUYWEYITWQWNFT-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)[C@H]1CC1(C)C ZINC001463910273 1110383269 /nfs/dbraw/zinc/38/32/69/1110383269.db2.gz AFSQODGSVVGROA-MNOVXSKESA-N -1 1 329.418 2.478 20 0 EEADMM COc1ccc(CCNC(=O)c2cnc(SC)[n-]c2=O)cc1F ZINC001464845855 1110405061 /nfs/dbraw/zinc/40/50/61/1110405061.db2.gz VMFMFNDMXVDKQQ-UHFFFAOYSA-N -1 1 337.376 2.024 20 0 EEADMM O=C(Nc1cnn(CCF)c1)c1[n-]cnc1C(=O)c1ccccc1 ZINC001470163584 1110502232 /nfs/dbraw/zinc/50/22/32/1110502232.db2.gz SSOWULRCRAWXSV-UHFFFAOYSA-N -1 1 327.319 2.059 20 0 EEADMM CC(C)(F)C(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001500580685 1112954150 /nfs/dbraw/zinc/95/41/50/1112954150.db2.gz UPJMLTCOPTXBFV-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1c(F)cccc1C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001508819886 1115649126 /nfs/dbraw/zinc/64/91/26/1115649126.db2.gz ACBMGGVHRCHNFQ-LLVKDONJSA-N -1 1 345.374 2.125 20 0 EEADMM O=C(CC1CCC1)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001509347645 1115806889 /nfs/dbraw/zinc/80/68/89/1115806889.db2.gz LHHWJNHOYCRIGU-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001510528662 1117766643 /nfs/dbraw/zinc/76/66/43/1117766643.db2.gz VGBYUUUCRRIEDU-PXAZEXFGSA-N -1 1 339.411 2.282 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001510528665 1117766712 /nfs/dbraw/zinc/76/67/12/1117766712.db2.gz VGBYUUUCRRIEDU-SJKOYZFVSA-N -1 1 339.411 2.282 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C1CC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001512244175 1118471028 /nfs/dbraw/zinc/47/10/28/1118471028.db2.gz YWVNNUNVEAELSP-VXGBXAGGSA-N -1 1 333.432 2.237 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001520190822 1119135447 /nfs/dbraw/zinc/13/54/47/1119135447.db2.gz FLDCGRPZOVLRGK-UHFFFAOYSA-N -1 1 343.408 2.173 20 0 EEADMM Cc1cscc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001524386978 1120088756 /nfs/dbraw/zinc/08/87/56/1120088756.db2.gz CUMUAEHZUDSKSD-CYBMUJFWSA-N -1 1 345.424 2.096 20 0 EEADMM CCOc1ccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1OC ZINC001527442523 1120793927 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NC(=O)CN(C(=O)c1ccc(Br)cc1[O-])C1CCCC1 ZINC000044491214 539334252 /nfs/dbraw/zinc/33/42/52/539334252.db2.gz FSZNSEWTCFQUSB-UHFFFAOYSA-N -1 1 341.205 2.025 20 0 EEADMM CN(C)c1ccc(NC(=O)Cc2sc(N(C)C3CC3)nc2[O-])cc1 ZINC000181274580 529783885 /nfs/dbraw/zinc/78/38/85/529783885.db2.gz AOHJOBIAMFBHOA-CQSZACIVSA-N -1 1 346.456 2.173 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)co1 ZINC000130895264 530026229 /nfs/dbraw/zinc/02/62/29/530026229.db2.gz DSAFIKDGKVWUFO-YPMHNXCESA-N -1 1 328.434 2.132 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000179472624 530028489 /nfs/dbraw/zinc/02/84/89/530028489.db2.gz PGARUEPFJFNLAF-CQSZACIVSA-N -1 1 348.424 2.304 20 0 EEADMM Cn1c(CNC(=O)Cc2ccccc2Br)n[n-]c1=S ZINC000066625203 215060807 /nfs/dbraw/zinc/06/08/07/215060807.db2.gz WRSSYHFFTAFVTQ-UHFFFAOYSA-N -1 1 341.234 2.099 20 0 EEADMM NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000067124165 215115604 /nfs/dbraw/zinc/11/56/04/215115604.db2.gz NJXCIBNJMXKRTJ-UHFFFAOYSA-N -1 1 339.804 2.309 20 0 EEADMM O=C([O-])c1cccc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000263510976 539692547 /nfs/dbraw/zinc/69/25/47/539692547.db2.gz YTBWFSJGNAIBRG-LJQANCHMSA-N -1 1 340.423 2.236 20 0 EEADMM CCn1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)[O-] ZINC000319531160 539751535 /nfs/dbraw/zinc/75/15/35/539751535.db2.gz KZULKXDDPQTLNM-UHFFFAOYSA-N -1 1 336.369 2.210 20 0 EEADMM CCOc1cc(-c2noc([C@@H]3CCN(C)C3=O)n2)cc(Cl)c1[O-] ZINC000350777528 539878083 /nfs/dbraw/zinc/87/80/83/539878083.db2.gz PLWAVLMWTWIDTM-VIFPVBQESA-N -1 1 337.763 2.440 20 0 EEADMM CC(C)(NC(=O)C=Cc1csc(Br)c1)c1nn[n-]n1 ZINC000492073879 535211250 /nfs/dbraw/zinc/21/12/50/535211250.db2.gz WTKZGJQOJCATRX-ONEGZZNKSA-N -1 1 342.222 2.088 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1ccccc1Br ZINC000038024798 213192717 /nfs/dbraw/zinc/19/27/17/213192717.db2.gz DMPSTWBLVZTXIE-UHFFFAOYSA-N -1 1 329.194 2.184 20 0 EEADMM COC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000036817748 213121037 /nfs/dbraw/zinc/12/10/37/213121037.db2.gz ZYJBXYJAKMFFTJ-UHFFFAOYSA-N -1 1 332.592 2.098 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000416133940 239073598 /nfs/dbraw/zinc/07/35/98/239073598.db2.gz ITAVAKNAGCFVOT-LLVKDONJSA-N -1 1 331.372 2.346 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCO1 ZINC000451484785 243130627 /nfs/dbraw/zinc/13/06/27/243130627.db2.gz XSPASPOYBLXQBZ-GXTWGEPZSA-N -1 1 343.376 2.044 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000341912573 296161869 /nfs/dbraw/zinc/16/18/69/296161869.db2.gz VQHALOVNSIXRBM-YUMQZZPRSA-N -1 1 339.260 2.303 20 0 EEADMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)s1 ZINC000078003767 217011607 /nfs/dbraw/zinc/01/16/07/217011607.db2.gz CQIIFYAFIXWSCC-QMMMGPOBSA-N -1 1 333.866 2.353 20 0 EEADMM CC(C)n1c(CCNC(=O)c2ccc(NC=O)cc2)n[n-]c1=S ZINC000081369625 217390433 /nfs/dbraw/zinc/39/04/33/217390433.db2.gz ZMTOUNDXDTUQBR-UHFFFAOYSA-N -1 1 333.417 2.062 20 0 EEADMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000495542775 247196396 /nfs/dbraw/zinc/19/63/96/247196396.db2.gz PSPXWQZZSYEHKV-UHFFFAOYSA-N -1 1 337.357 2.069 20 0 EEADMM Cc1cnc(C(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c([O-])c1 ZINC000496215842 247386220 /nfs/dbraw/zinc/38/62/20/247386220.db2.gz YUELIRSJDRAWOY-CYBMUJFWSA-N -1 1 349.431 2.471 20 0 EEADMM C[C@H](C(=O)Nc1nnn[n-]1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000266347335 248258627 /nfs/dbraw/zinc/25/86/27/248258627.db2.gz WKTOYYQGDWMAOT-CMPLNLGQSA-N -1 1 346.391 2.040 20 0 EEADMM C[C@H](C(=O)Nc1nn[n-]n1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000266347335 248258628 /nfs/dbraw/zinc/25/86/28/248258628.db2.gz WKTOYYQGDWMAOT-CMPLNLGQSA-N -1 1 346.391 2.040 20 0 EEADMM COc1cc(NC(=O)[C@@H](CC(C)C)OC)ccc1[N-]S(C)(=O)=O ZINC000416127652 533008301 /nfs/dbraw/zinc/00/83/01/533008301.db2.gz FVVHVBJNFNCBDE-CQSZACIVSA-N -1 1 344.433 2.066 20 0 EEADMM CCOc1ccccc1OCCCC(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000273592752 256309925 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O=C(Cc1nsc2ccccc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425312650 314379254 /nfs/dbraw/zinc/37/92/54/314379254.db2.gz ZNIJVSFIGNPCBG-SNVBAGLBSA-N -1 1 344.396 2.334 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425319100 314381491 /nfs/dbraw/zinc/38/14/91/314381491.db2.gz JIGDOHKRPQEMSW-UHFFFAOYSA-N -1 1 347.419 2.118 20 0 EEADMM O=S(=O)([N-]CCC1CC(O)C1)c1cc(Cl)sc1Cl ZINC000432293035 314692110 /nfs/dbraw/zinc/69/21/10/314692110.db2.gz CBTWKALZGADNMC-UHFFFAOYSA-N -1 1 330.258 2.494 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])C[C@H](C)[S@@]1=O ZINC000436527157 314971688 /nfs/dbraw/zinc/97/16/88/314971688.db2.gz CMGOWVRDWSUQCJ-MCCHPSBSSA-N -1 1 346.246 2.136 20 0 EEADMM COc1ncc(NC(=O)c2ccc3ccccc3c2[O-])cc1C(N)=O ZINC000436585019 314977994 /nfs/dbraw/zinc/97/79/94/314977994.db2.gz IJXXRZCSGABJHE-UHFFFAOYSA-N -1 1 337.335 2.300 20 0 EEADMM O=C(NCc1noc(-c2ccccc2F)n1)C(=O)c1ccc([O-])cc1 ZINC000436628642 314981639 /nfs/dbraw/zinc/98/16/39/314981639.db2.gz 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CCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1CC ZINC000539193439 318052689 /nfs/dbraw/zinc/05/26/89/318052689.db2.gz SIKCVAMSICMKNY-UHFFFAOYSA-N -1 1 337.401 2.044 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000544310367 318184540 /nfs/dbraw/zinc/18/45/40/318184540.db2.gz MVTOCZUGHAOGMP-MWLCHTKSSA-N -1 1 325.434 2.148 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)nn1C1CCCCC1 ZINC000547810935 318325028 /nfs/dbraw/zinc/32/50/28/318325028.db2.gz RWAMXUVAZIFRFM-NSHDSACASA-N -1 1 331.424 2.086 20 0 EEADMM [O-]c1cccnc1CN1CCOC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000563777474 319042316 /nfs/dbraw/zinc/04/23/16/319042316.db2.gz UDUVHWMNITUTRB-HNNXBMFYSA-N -1 1 338.367 2.411 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC(C)(C)COC(C)C ZINC000563796224 319043923 /nfs/dbraw/zinc/04/39/23/319043923.db2.gz ITBMBXVQSKTCIS-UHFFFAOYSA-N -1 1 348.447 2.304 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccnc(Oc2ccccc2)c1)c1nn[n-]n1 ZINC000564776648 319108846 /nfs/dbraw/zinc/10/88/46/319108846.db2.gz 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324033180 /nfs/dbraw/zinc/03/31/80/324033180.db2.gz KFEGFWNFROLPCW-GFCCVEGCSA-N -1 1 339.260 2.446 20 0 EEADMM COCCOc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000580482968 324071906 /nfs/dbraw/zinc/07/19/06/324071906.db2.gz PUCDVSHCRHLEGL-UHFFFAOYSA-N -1 1 338.310 2.021 20 0 EEADMM C[C@H](CCNS(=O)(=O)c1c(Cl)ccc(F)c1F)CC(=O)[O-] ZINC000581946855 324348457 /nfs/dbraw/zinc/34/84/57/324348457.db2.gz FMSJPNHYLWSJBZ-SSDOTTSWSA-N -1 1 341.763 2.397 20 0 EEADMM O=C([O-])[C@H]1CCO[C@H]1C1CCN(Cc2cn3ccccc3n2)CC1 ZINC000581949030 324349523 /nfs/dbraw/zinc/34/95/23/324349523.db2.gz KVLVCFMDSLPXNL-RDJZCZTQSA-N -1 1 329.400 2.036 20 0 EEADMM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC000231359452 464205289 /nfs/dbraw/zinc/20/52/89/464205289.db2.gz XYEBEWBXJDLRAI-DGCLKSJQSA-N -1 1 326.190 2.452 20 0 EEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1 ZINC000282810364 464958217 /nfs/dbraw/zinc/95/82/17/464958217.db2.gz OVDCYXNCRKACKG-WCQYABFASA-N -1 1 337.372 2.092 20 0 EEADMM CN(C(=O)c1ccc([O-])cc1F)c1ccc(N2CCOCC2)nc1 ZINC000184794766 465026754 /nfs/dbraw/zinc/02/67/54/465026754.db2.gz WMVNIFOOOMUGIR-UHFFFAOYSA-N -1 1 331.347 2.040 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc(Cl)c1[O-] ZINC000354578389 465035132 /nfs/dbraw/zinc/03/51/32/465035132.db2.gz OCJHWIDMGCCFEY-CQSZACIVSA-N -1 1 348.786 2.401 20 0 EEADMM COc1cccc([C@H](C)NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1 ZINC000358332068 465063624 /nfs/dbraw/zinc/06/36/24/465063624.db2.gz ZMSZDSMPFBLOMG-JTQLQIEISA-N -1 1 326.356 2.174 20 0 EEADMM COc1cc(CCC(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1Cl ZINC000358417415 465110046 /nfs/dbraw/zinc/11/00/46/465110046.db2.gz UVLKCBXYMIGCAZ-JTQLQIEISA-N -1 1 337.811 2.056 20 0 EEADMM Cc1ccc(C)c(OCC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000339182751 465128805 /nfs/dbraw/zinc/12/88/05/465128805.db2.gz CAMCDRVULNRDKP-UHFFFAOYSA-N -1 1 331.372 2.177 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000339193219 465134558 /nfs/dbraw/zinc/13/45/58/465134558.db2.gz 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462631373 /nfs/dbraw/zinc/63/13/73/462631373.db2.gz YCLCEYQRLAVWAP-ZCFIWIBFSA-N -1 1 345.726 2.199 20 0 EEADMM COc1ccc(NC(=O)CCc2ccccn2)cc1[N-]S(C)(=O)=O ZINC000063241647 462634398 /nfs/dbraw/zinc/63/43/98/462634398.db2.gz CCQZADBKAGFQKP-UHFFFAOYSA-N -1 1 349.412 2.033 20 0 EEADMM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000128543286 462650558 /nfs/dbraw/zinc/65/05/58/462650558.db2.gz NKGWLUOHCVQLFK-NEPJUHHUSA-N -1 1 333.409 2.193 20 0 EEADMM Cc1ccnc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000064354105 462698244 /nfs/dbraw/zinc/69/82/44/462698244.db2.gz DQMCLOVOZFGVIY-UHFFFAOYSA-N -1 1 325.372 2.326 20 0 EEADMM O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129283037 462698324 /nfs/dbraw/zinc/69/83/24/462698324.db2.gz LQRAIWNKHNSAIY-SECBINFHSA-N -1 1 325.294 2.238 20 0 EEADMM O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129282833 462698905 /nfs/dbraw/zinc/69/89/05/462698905.db2.gz LQRAIWNKHNSAIY-VIFPVBQESA-N -1 1 325.294 2.238 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1C ZINC000129320404 462699722 /nfs/dbraw/zinc/69/97/22/462699722.db2.gz SUBQJMYTWIBVHH-OAHLLOKOSA-N -1 1 343.431 2.382 20 0 EEADMM O=C(Cn1ccc2ccc(Cl)cc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129320838 462701439 /nfs/dbraw/zinc/70/14/39/462701439.db2.gz NHLDIBVZPXISKQ-GFCCVEGCSA-N -1 1 344.806 2.214 20 0 EEADMM CC[C@@H](C)n1ncc(C(=O)NCc2n[n-]c(=S)n2C)c1C1CC1 ZINC000089817078 462723178 /nfs/dbraw/zinc/72/31/78/462723178.db2.gz KKJPJPHPSLWHBB-SECBINFHSA-N -1 1 334.449 2.453 20 0 EEADMM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1nnn[n-]1 ZINC000090634915 462806279 /nfs/dbraw/zinc/80/62/79/462806279.db2.gz ZRNIAZSEVXITRW-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM O=C(Cn1c2ccccc2nc1C1CCCCC1)Nc1nn[n-]n1 ZINC000090634915 462806285 /nfs/dbraw/zinc/80/62/85/462806285.db2.gz ZRNIAZSEVXITRW-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM CCCc1cc(=O)[n-]c(S[C@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000133341749 462920774 /nfs/dbraw/zinc/92/07/74/462920774.db2.gz 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ZINC000736198550 578186586 /nfs/dbraw/zinc/18/65/86/578186586.db2.gz BQNPGMMJCKYQGL-CJNGLKHVSA-N -1 1 332.400 2.130 20 0 EEADMM CC(C)CN1CCO[C@@H](COC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736442479 578204161 /nfs/dbraw/zinc/20/41/61/578204161.db2.gz FRARXKYHHUEZPB-OAHLLOKOSA-N -1 1 336.388 2.290 20 0 EEADMM C[C@@H](CN(CC(=O)N(C)c1nccs1)Cc1ccccc1)C(=O)[O-] ZINC000736579988 578212819 /nfs/dbraw/zinc/21/28/19/578212819.db2.gz WAVGMZKNZVWAFF-ZDUSSCGKSA-N -1 1 347.440 2.329 20 0 EEADMM C[N@@H+](CCNc1ccc(Cl)c(-c2nn[nH]n2)n1)Cc1ccccc1 ZINC000736801053 578224587 /nfs/dbraw/zinc/22/45/87/578224587.db2.gz QSINCKWYXCLCQG-UHFFFAOYSA-N -1 1 343.822 2.459 20 0 EEADMM COCCOc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1Cl ZINC000737013691 578233081 /nfs/dbraw/zinc/23/30/81/578233081.db2.gz DDKQJMLAXSROFK-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM COCCOc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1Cl ZINC000737013691 578233082 /nfs/dbraw/zinc/23/30/82/578233082.db2.gz DDKQJMLAXSROFK-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)c1ccco1 ZINC000737085258 578237277 /nfs/dbraw/zinc/23/72/77/578237277.db2.gz ITJBPXNRYIHOBF-GXTWGEPZSA-N -1 1 325.409 2.071 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)o1 ZINC000737088181 578237412 /nfs/dbraw/zinc/23/74/12/578237412.db2.gz NTHSVLBBVCKZKK-UHFFFAOYSA-N -1 1 333.344 2.173 20 0 EEADMM COc1ccccc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737152600 578241223 /nfs/dbraw/zinc/24/12/23/578241223.db2.gz MIDVIJRVAKEJMY-UHFFFAOYSA-N -1 1 333.351 2.239 20 0 EEADMM CCOc1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737205748 578243620 /nfs/dbraw/zinc/24/36/20/578243620.db2.gz PWRAHAWKMINQMH-UHFFFAOYSA-N -1 1 348.443 2.421 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000737357816 578252348 /nfs/dbraw/zinc/25/23/48/578252348.db2.gz FCGNCURTDZUTCV-OFQRWUPVSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1ccc2cccc(NC(=O)N3CCC(c4nn[n-]n4)CC3)c2n1 ZINC000737374030 578253441 /nfs/dbraw/zinc/25/34/41/578253441.db2.gz JDMXXBJNYFNOEQ-UHFFFAOYSA-N -1 1 337.387 2.468 20 0 EEADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000737511821 578261574 /nfs/dbraw/zinc/26/15/74/578261574.db2.gz PDIWRSTULLMXQE-NSHDSACASA-N -1 1 344.810 2.299 20 0 EEADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000737511821 578261575 /nfs/dbraw/zinc/26/15/75/578261575.db2.gz PDIWRSTULLMXQE-NSHDSACASA-N -1 1 344.810 2.299 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCC[C@@H]1C ZINC000737548918 578263519 /nfs/dbraw/zinc/26/35/19/578263519.db2.gz QOLFLDBOIGKDMQ-JQWIXIFHSA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC[C@@H]1C ZINC000737548918 578263520 /nfs/dbraw/zinc/26/35/20/578263520.db2.gz QOLFLDBOIGKDMQ-JQWIXIFHSA-N -1 1 340.387 2.477 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820779000 599039647 /nfs/dbraw/zinc/03/96/47/599039647.db2.gz ZXXJSZUSGDIPKF-NHYWBVRUSA-N -1 1 340.362 2.367 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820779000 599039650 /nfs/dbraw/zinc/03/96/50/599039650.db2.gz ZXXJSZUSGDIPKF-NHYWBVRUSA-N -1 1 340.362 2.367 20 0 EEADMM COc1ccc(O[C@H](C)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000821839748 599075869 /nfs/dbraw/zinc/07/58/69/599075869.db2.gz XYVUUUSENYTHLR-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM COc1ccc(O[C@H](C)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000821839748 599075871 /nfs/dbraw/zinc/07/58/71/599075871.db2.gz XYVUUUSENYTHLR-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Br)c1O ZINC000821508992 597458288 /nfs/dbraw/zinc/45/82/88/597458288.db2.gz ATWGGZCHUGZGGT-JTQLQIEISA-N -1 1 328.162 2.234 20 0 EEADMM Cc1ccn(Cc2ccc(C(F)(F)F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822374457 607349853 /nfs/dbraw/zinc/34/98/53/607349853.db2.gz XVRAUSMYCGVERK-UHFFFAOYSA-N -1 1 335.289 2.404 20 0 EEADMM c1csc(-c2nc(CNCc3ccc(-c4nnn[n-]4)o3)co2)c1 ZINC000823816248 599418110 /nfs/dbraw/zinc/41/81/10/599418110.db2.gz QTRSAWCQADOPCV-UHFFFAOYSA-N -1 1 328.357 2.466 20 0 EEADMM c1csc(-c2nc(CNCc3ccc(-c4nn[n-]n4)o3)co2)c1 ZINC000823816248 599418111 /nfs/dbraw/zinc/41/81/11/599418111.db2.gz QTRSAWCQADOPCV-UHFFFAOYSA-N -1 1 328.357 2.466 20 0 EEADMM CCc1cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)n[nH]1 ZINC000262358316 600270454 /nfs/dbraw/zinc/27/04/54/600270454.db2.gz CFZAMHHGVVRANQ-UHFFFAOYSA-N -1 1 337.326 2.367 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCSC[C@H]3CC(=O)[O-])n[nH]2)cc1 ZINC000237703129 600699460 /nfs/dbraw/zinc/69/94/60/600699460.db2.gz UWPLGQGGKVBPMB-CYBMUJFWSA-N -1 1 345.424 2.417 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2[C@H](C)CCC[C@@H]2C)cc(C(=O)[O-])c1 ZINC000831269683 600825087 /nfs/dbraw/zinc/82/50/87/600825087.db2.gz PAYQIVIXYAAQCC-TXEJJXNPSA-N -1 1 348.399 2.373 20 0 EEADMM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H]1CCCCNC1=O ZINC000830792136 600995915 /nfs/dbraw/zinc/99/59/15/600995915.db2.gz QCIKINQKIHJTEV-CYBMUJFWSA-N -1 1 340.807 2.018 20 0 EEADMM Cc1ccc2nc(CNC(=O)Nc3nc(CC(=O)[O-])cs3)[nH]c2c1 ZINC000832958851 601056474 /nfs/dbraw/zinc/05/64/74/601056474.db2.gz NDWGLJWWGIKCES-UHFFFAOYSA-N -1 1 345.384 2.277 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000827369363 601131735 /nfs/dbraw/zinc/13/17/35/601131735.db2.gz WLYVAIKEAUIMSJ-LBPRGKRZSA-N -1 1 330.388 2.181 20 0 EEADMM Cc1ccc2nc(NC(=O)CN3C[C@H](C)[C@H](C(=O)[O-])C3)sc2c1 ZINC000832960498 601530606 /nfs/dbraw/zinc/53/06/06/601530606.db2.gz QSESYSIUBCTRQR-WDEREUQCSA-N -1 1 333.413 2.196 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccco1 ZINC000829666939 601836703 /nfs/dbraw/zinc/83/67/03/601836703.db2.gz XAXLEXAMZYVRNM-HZSPNIEDSA-N -1 1 337.420 2.025 20 0 EEADMM c1nc(SCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826519668 607537916 /nfs/dbraw/zinc/53/79/16/607537916.db2.gz IUIBBLHGMCHGKG-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nc(SCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826519668 607537918 /nfs/dbraw/zinc/53/79/18/607537918.db2.gz IUIBBLHGMCHGKG-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3NC(=O)[O-])C2)n[nH]1 ZINC000832997243 602242439 /nfs/dbraw/zinc/24/24/39/602242439.db2.gz UUGLKHRLDQIVGW-LLVKDONJSA-N -1 1 329.360 2.223 20 0 EEADMM O=C([O-])N1CC(NCC2=Cc3cc(Br)ccc3OC2)C1 ZINC000833278371 604420668 /nfs/dbraw/zinc/42/06/68/604420668.db2.gz NUFGQHAKZVHRND-UHFFFAOYSA-N -1 1 339.189 2.177 20 0 EEADMM CC1=CCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000833584662 604618044 /nfs/dbraw/zinc/61/80/44/604618044.db2.gz SUNCUNSBENPIMR-KRWDZBQOSA-N -1 1 341.411 2.373 20 0 EEADMM CCCOc1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)ccc1OC ZINC000833651814 604761328 /nfs/dbraw/zinc/76/13/28/604761328.db2.gz BWUSRCHPDWUEQA-KRWDZBQOSA-N -1 1 337.416 2.142 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000833577314 604827974 /nfs/dbraw/zinc/82/79/74/604827974.db2.gz DHKZXQIVVSTKMU-ZDUSSCGKSA-N -1 1 340.420 2.077 20 0 EEADMM CC(C)(C)c1ccc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833449436 604899301 /nfs/dbraw/zinc/89/93/01/604899301.db2.gz UFWKGVQXCXDWLD-INIZCTEOSA-N -1 1 343.427 2.452 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000833678163 604922409 /nfs/dbraw/zinc/92/24/09/604922409.db2.gz KAUKOPZDQRVKMP-INIZCTEOSA-N -1 1 347.415 2.219 20 0 EEADMM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2CC(=O)[O-])C1 ZINC000833420200 605065442 /nfs/dbraw/zinc/06/54/42/605065442.db2.gz CVRFSYIHVPRUIG-INIZCTEOSA-N -1 1 332.444 2.440 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833656613 605119650 /nfs/dbraw/zinc/11/96/50/605119650.db2.gz KEBHRDZXIYTMEP-UONOGXRCSA-N -1 1 333.432 2.051 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000833637748 605143229 /nfs/dbraw/zinc/14/32/29/605143229.db2.gz GBKBNVAODWAHJL-MMPTUQATSA-N -1 1 340.395 2.100 20 0 EEADMM C[C@H](CN(CN1C[C@H](c2ccccc2F)CC1=O)C1CC1)C(=O)[O-] ZINC000833516135 605345965 /nfs/dbraw/zinc/34/59/65/605345965.db2.gz FPCLBCHBTCDHCH-CHWSQXEVSA-N -1 1 334.391 2.284 20 0 EEADMM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833760586 605842024 /nfs/dbraw/zinc/84/20/24/605842024.db2.gz QINVZBCQLDCLCK-INIZCTEOSA-N -1 1 347.390 2.203 20 0 EEADMM COc1ccccc1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821891099 606295464 /nfs/dbraw/zinc/29/54/64/606295464.db2.gz VDIGGBZWKVSYMX-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM COc1cccc(C[C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821864658 606401004 /nfs/dbraw/zinc/40/10/04/606401004.db2.gz ZZOYUZYNXLKMTK-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM COc1cccc(C[C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821864658 606401005 /nfs/dbraw/zinc/40/10/05/606401005.db2.gz ZZOYUZYNXLKMTK-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM Clc1ccc(Sc2nnc3n2CCCCC3)nc1-c1nnn[n-]1 ZINC000822582810 606445455 /nfs/dbraw/zinc/44/54/55/606445455.db2.gz XLGKHONQEOHSNP-UHFFFAOYSA-N -1 1 348.823 2.384 20 0 EEADMM Clc1ccc(Sc2nnc3n2CCCCC3)nc1-c1nn[n-]n1 ZINC000822582810 606445458 /nfs/dbraw/zinc/44/54/58/606445458.db2.gz XLGKHONQEOHSNP-UHFFFAOYSA-N -1 1 348.823 2.384 20 0 EEADMM O[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1F ZINC000823689365 606451615 /nfs/dbraw/zinc/45/16/15/606451615.db2.gz FPRPLFIMCPMLCG-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1F ZINC000823689365 606451617 /nfs/dbraw/zinc/45/16/17/606451617.db2.gz FPRPLFIMCPMLCG-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM FC(F)(F)Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822718298 606467054 /nfs/dbraw/zinc/46/70/54/606467054.db2.gz GZSKOTRNIITSHC-UHFFFAOYSA-N -1 1 344.688 2.418 20 0 EEADMM FC(F)(F)Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822718298 606467056 /nfs/dbraw/zinc/46/70/56/606467056.db2.gz GZSKOTRNIITSHC-UHFFFAOYSA-N -1 1 344.688 2.418 20 0 EEADMM Cc1ccc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822263343 606544391 /nfs/dbraw/zinc/54/43/91/606544391.db2.gz NECIVYFNVXYWMJ-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM Cc1ccc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822263343 606544393 /nfs/dbraw/zinc/54/43/93/606544393.db2.gz NECIVYFNVXYWMJ-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnc2ccccc12 ZINC000822020886 606648659 /nfs/dbraw/zinc/64/86/59/606648659.db2.gz MSBAIDYFEIVIGO-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnc2ccccc12 ZINC000822020886 606648660 /nfs/dbraw/zinc/64/86/60/606648660.db2.gz MSBAIDYFEIVIGO-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000823436274 606650713 /nfs/dbraw/zinc/65/07/13/606650713.db2.gz OHQHDOOOEDHMPU-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000823436274 606650714 /nfs/dbraw/zinc/65/07/14/606650714.db2.gz OHQHDOOOEDHMPU-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(COc1cccc(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823044066 606651478 /nfs/dbraw/zinc/65/14/78/606651478.db2.gz PZHVIHOFIKTOEH-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(COc1cccc(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823044066 606651479 /nfs/dbraw/zinc/65/14/79/606651479.db2.gz PZHVIHOFIKTOEH-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(cccc2F)[nH]1 ZINC000823436089 606652841 /nfs/dbraw/zinc/65/28/41/606652841.db2.gz GGXJVPWCICBYBE-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(cccc2F)[nH]1 ZINC000823436089 606652842 /nfs/dbraw/zinc/65/28/42/606652842.db2.gz GGXJVPWCICBYBE-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823797127 606728370 /nfs/dbraw/zinc/72/83/70/606728370.db2.gz LJESXPDMDXWWRL-MPKXVKKWSA-N -1 1 337.387 2.179 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823797127 606728371 /nfs/dbraw/zinc/72/83/71/606728371.db2.gz LJESXPDMDXWWRL-MPKXVKKWSA-N -1 1 337.387 2.179 20 0 EEADMM CCC1(CC)[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1OC ZINC000820957757 606929726 /nfs/dbraw/zinc/92/97/26/606929726.db2.gz PSWRJYHINRNNMQ-QWHCGFSZSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1OC ZINC000820957757 606929727 /nfs/dbraw/zinc/92/97/27/606929727.db2.gz PSWRJYHINRNNMQ-QWHCGFSZSA-N -1 1 331.376 2.012 20 0 EEADMM Cc1cccc(C2(C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822299474 607103760 /nfs/dbraw/zinc/10/37/60/607103760.db2.gz KENXMJPTJWTIHH-UHFFFAOYSA-N -1 1 326.385 2.302 20 0 EEADMM Cc1cccc(C2(C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2)c1 ZINC000822299474 607103761 /nfs/dbraw/zinc/10/37/61/607103761.db2.gz KENXMJPTJWTIHH-UHFFFAOYSA-N -1 1 326.385 2.302 20 0 EEADMM C[C@H](C[C@H]1CCOC1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820234568 607114213 /nfs/dbraw/zinc/11/42/13/607114213.db2.gz OHIOZMZDSGVTQC-GHMZBOCLSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@H](C[C@H]1CCOC1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820234568 607114215 /nfs/dbraw/zinc/11/42/15/607114215.db2.gz OHIOZMZDSGVTQC-GHMZBOCLSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824478310 607865887 /nfs/dbraw/zinc/86/58/87/607865887.db2.gz GMXZJTQLGFMLNG-SECBINFHSA-N -1 1 347.375 2.324 20 0 EEADMM C[C@@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824478310 607865888 /nfs/dbraw/zinc/86/58/88/607865888.db2.gz GMXZJTQLGFMLNG-SECBINFHSA-N -1 1 347.375 2.324 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC1CCCCCC1 ZINC000826418842 607866417 /nfs/dbraw/zinc/86/64/17/607866417.db2.gz YOISVEQJWASPHB-UHFFFAOYSA-N -1 1 333.367 2.224 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC1CCCCCC1 ZINC000826418842 607866418 /nfs/dbraw/zinc/86/64/18/607866418.db2.gz YOISVEQJWASPHB-UHFFFAOYSA-N -1 1 333.367 2.224 20 0 EEADMM c1ccc2c(c1)[nH]c1c2CCN(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000826523974 607992482 /nfs/dbraw/zinc/99/24/82/607992482.db2.gz DQBCARKRUXUISY-UHFFFAOYSA-N -1 1 331.383 2.301 20 0 EEADMM c1ccc2c(c1)[nH]c1c2CCN(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000826523974 607992483 /nfs/dbraw/zinc/99/24/83/607992483.db2.gz DQBCARKRUXUISY-UHFFFAOYSA-N -1 1 331.383 2.301 20 0 EEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)c(F)c1 ZINC000826504356 608100254 /nfs/dbraw/zinc/10/02/54/608100254.db2.gz UMYDROJSMGJCGM-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826504356 608100255 /nfs/dbraw/zinc/10/02/55/608100255.db2.gz UMYDROJSMGJCGM-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM CC(C)c1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)n1C ZINC000824364671 608181837 /nfs/dbraw/zinc/18/18/37/608181837.db2.gz PLJMEDLEBNQMPP-UHFFFAOYSA-N -1 1 342.841 2.380 20 0 EEADMM CC(C)c1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)n1C ZINC000824364671 608181839 /nfs/dbraw/zinc/18/18/39/608181839.db2.gz PLJMEDLEBNQMPP-UHFFFAOYSA-N -1 1 342.841 2.380 20 0 EEADMM Cc1nnc(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)o1 ZINC000826335348 608349004 /nfs/dbraw/zinc/34/90/04/608349004.db2.gz JNZXCOVUMXSBQJ-UHFFFAOYSA-N -1 1 347.404 2.098 20 0 EEADMM Cc1nnc(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)o1 ZINC000826335348 608349005 /nfs/dbraw/zinc/34/90/05/608349005.db2.gz JNZXCOVUMXSBQJ-UHFFFAOYSA-N -1 1 347.404 2.098 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3ccc(-c4nnn[n-]4)nn3)n2)cc1 ZINC000826373067 608392206 /nfs/dbraw/zinc/39/22/06/608392206.db2.gz YHMPRGCSBLBDIU-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3ccc(-c4nn[n-]n4)nn3)n2)cc1 ZINC000826373067 608392208 /nfs/dbraw/zinc/39/22/08/608392208.db2.gz YHMPRGCSBLBDIU-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM COc1ccc2ccccc2c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826213634 608395330 /nfs/dbraw/zinc/39/53/30/608395330.db2.gz FJFIJQQFGMYIKT-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc2ccccc2c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826213634 608395332 /nfs/dbraw/zinc/39/53/32/608395332.db2.gz FJFIJQQFGMYIKT-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CC(C)COC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000824271004 608410000 /nfs/dbraw/zinc/41/00/00/608410000.db2.gz KFRMOEUXPXXENA-LBPRGKRZSA-N -1 1 329.364 2.076 20 0 EEADMM CC(C)COC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000824271004 608410001 /nfs/dbraw/zinc/41/00/01/608410001.db2.gz KFRMOEUXPXXENA-LBPRGKRZSA-N -1 1 329.364 2.076 20 0 EEADMM CC[C@@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C1CC1 ZINC000825080559 608438217 /nfs/dbraw/zinc/43/82/17/608438217.db2.gz AKVUEPNIGJDWAZ-SECBINFHSA-N -1 1 325.380 2.445 20 0 EEADMM CC[C@@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C1CC1 ZINC000825080559 608438218 /nfs/dbraw/zinc/43/82/18/608438218.db2.gz AKVUEPNIGJDWAZ-SECBINFHSA-N -1 1 325.380 2.445 20 0 EEADMM CC(C)(C)Oc1cccc(CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000824124758 608440001 /nfs/dbraw/zinc/44/00/01/608440001.db2.gz ZERPWQLMJWGHLC-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1cccc(CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000824124758 608440004 /nfs/dbraw/zinc/44/00/04/608440004.db2.gz ZERPWQLMJWGHLC-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nc2ccccc2n1C ZINC000825966223 608698259 /nfs/dbraw/zinc/69/82/59/608698259.db2.gz TZGIESUTULXEOB-UHFFFAOYSA-N -1 1 339.428 2.447 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NCc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC000824371846 609171321 /nfs/dbraw/zinc/17/13/21/609171321.db2.gz VRXVVMOJLXTWHN-CYBMUJFWSA-N -1 1 327.392 2.404 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NCc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC000824371846 609171323 /nfs/dbraw/zinc/17/13/23/609171323.db2.gz VRXVVMOJLXTWHN-CYBMUJFWSA-N -1 1 327.392 2.404 20 0 EEADMM C/C=C(\C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825029345 609292225 /nfs/dbraw/zinc/29/22/25/609292225.db2.gz QINAAEJPAYGQPW-YCRREMRBSA-N -1 1 327.323 2.096 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N(C(C)C)C2CCC2)cc1-c1nn[n-]n1 ZINC000826228917 609300278 /nfs/dbraw/zinc/30/02/78/609300278.db2.gz GNNAFIDTEXYJEM-UHFFFAOYSA-N -1 1 348.432 2.092 20 0 EEADMM Cc1cc(CN2CC([C@@H](C)NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC000969499995 675078880 /nfs/dbraw/zinc/07/88/80/675078880.db2.gz DYHCYYZYGAPATD-SNVBAGLBSA-N -1 1 334.445 2.044 20 0 EEADMM CC[C@H]1c2ccccc2CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000890612612 675106657 /nfs/dbraw/zinc/10/66/57/675106657.db2.gz OXRYVRVTGXTNKJ-AWEZNQCLSA-N -1 1 334.397 2.295 20 0 EEADMM CCC(C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021444687 676091876 /nfs/dbraw/zinc/09/18/76/676091876.db2.gz PIEIILJPNIMNRP-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCC(F)(F)C1(O)CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000891354652 676424306 /nfs/dbraw/zinc/42/43/06/676424306.db2.gz WOWOTMOYVWVFLO-UHFFFAOYSA-N -1 1 327.327 2.022 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CC3(Cl)Cl)[nH]c21 ZINC000157812630 676498554 /nfs/dbraw/zinc/49/85/54/676498554.db2.gz NISSJAMTRNHQHQ-ZETCQYMHSA-N -1 1 328.155 2.482 20 0 EEADMM COCCOc1ccccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623995 676733488 /nfs/dbraw/zinc/73/34/88/676733488.db2.gz NGRPPNMHRHDBJI-UHFFFAOYSA-N -1 1 343.383 2.339 20 0 EEADMM COc1ccc(COCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891623557 676734184 /nfs/dbraw/zinc/73/41/84/676734184.db2.gz KKHUVVHHHSPUDE-UHFFFAOYSA-N -1 1 343.383 2.225 20 0 EEADMM C[C@@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(F)ccc1F ZINC000022635413 676777218 /nfs/dbraw/zinc/77/72/18/676777218.db2.gz FQLIFHZTVIPWQO-SECBINFHSA-N -1 1 338.285 2.332 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H](C)C2)c1[O-] ZINC000947205281 679795093 /nfs/dbraw/zinc/79/50/93/679795093.db2.gz OJUQJCKELGILBL-IAQYHMDHSA-N -1 1 346.406 2.346 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCC1CCC1 ZINC000984801233 685276428 /nfs/dbraw/zinc/27/64/28/685276428.db2.gz MBPUYGDAOOMPGF-LSDHHAIUSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982798434 681255114 /nfs/dbraw/zinc/25/51/14/681255114.db2.gz HMVWHEUBVNFUTE-ZDUSSCGKSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])c1cccs1 ZINC000937363183 681348044 /nfs/dbraw/zinc/34/80/44/681348044.db2.gz REVPQZVMXFRYNK-LBPRGKRZSA-N -1 1 345.424 2.273 20 0 EEADMM CCn1ccnc1CNC[C@H]1CCCCN1C(=O)c1ccccc1O ZINC001024877130 681524086 /nfs/dbraw/zinc/52/40/86/681524086.db2.gz ZJAHUSFUSFEWTE-OAHLLOKOSA-N -1 1 342.443 2.393 20 0 EEADMM COCc1nc(N2CCC3(CC2)OCCc2ccccc23)cc(=O)[n-]1 ZINC000894134303 681645665 /nfs/dbraw/zinc/64/56/65/681645665.db2.gz ILXHLNXUPBHNPX-UHFFFAOYSA-N -1 1 341.411 2.397 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637837 681782054 /nfs/dbraw/zinc/78/20/54/681782054.db2.gz SMVVWKQOWRMSMY-QMMMGPOBSA-N -1 1 334.449 2.046 20 0 EEADMM O=C(CC1CCC1)N1CCCC[C@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214696 682227135 /nfs/dbraw/zinc/22/71/35/682227135.db2.gz DELMXHNHLSSDEZ-CABCVRRESA-N -1 1 347.463 2.046 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC001059135913 682552130 /nfs/dbraw/zinc/55/21/30/682552130.db2.gz BNBRJHZEXCLNFW-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)(C)OC(=O)NCC1(CC(=O)[N-]OCc2ccccn2)CC1 ZINC000909543576 685568454 /nfs/dbraw/zinc/56/84/54/685568454.db2.gz GUEQXSUMOZIVOS-UHFFFAOYSA-N -1 1 335.404 2.324 20 0 EEADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)co1 ZINC000983577639 682886105 /nfs/dbraw/zinc/88/61/05/682886105.db2.gz PJNUWQCQGUWJDB-KBPBESRZSA-N -1 1 343.383 2.160 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)CC(=O)[O-] ZINC000328091377 683143750 /nfs/dbraw/zinc/14/37/50/683143750.db2.gz QERPNXSKHONPPF-XJKSGUPXSA-N -1 1 345.443 2.291 20 0 EEADMM CC(C)CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973728211 683191787 /nfs/dbraw/zinc/19/17/87/683191787.db2.gz WYNJYKZVBCAQSU-CABCVRRESA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](CC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000937421391 683336834 /nfs/dbraw/zinc/33/68/34/683336834.db2.gz JTAAOZIRGKNWPT-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866900222 683768626 /nfs/dbraw/zinc/76/86/26/683768626.db2.gz BGHRRLRACPPOOK-PSASIEDQSA-N -1 1 341.260 2.464 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000983993907 683928511 /nfs/dbraw/zinc/92/85/11/683928511.db2.gz MZVYQYJNNZKJKW-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)CCO1 ZINC000179870113 683961169 /nfs/dbraw/zinc/96/11/69/683961169.db2.gz IADRISYSCZLVQW-NEPJUHHUSA-N -1 1 349.884 2.336 20 0 EEADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974054898 684265214 /nfs/dbraw/zinc/26/52/14/684265214.db2.gz QZPXCKSBDAXHTE-TXEJJXNPSA-N -1 1 343.383 2.194 20 0 EEADMM CC[C@]1(C(C)C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057382 684270567 /nfs/dbraw/zinc/27/05/67/684270567.db2.gz QRIJWVKIJYQOGV-SSHHRWTQSA-N -1 1 345.443 2.237 20 0 EEADMM CCc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000974057130 684270859 /nfs/dbraw/zinc/27/08/59/684270859.db2.gz YEKOYOQABHXGPL-PHIMTYICSA-N -1 1 345.424 2.102 20 0 EEADMM CC1(C)CCC(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974056544 684274679 /nfs/dbraw/zinc/27/46/79/684274679.db2.gz SHPLHPZYVZSCEP-OKILXGFUSA-N -1 1 345.443 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1349697219 /nfs/dbraw/zinc/69/72/19/1349697219.db2.gz NPNGMHVZWRFHMH-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Br)c1 ZINC001592652562 1349697221 /nfs/dbraw/zinc/69/72/21/1349697221.db2.gz NPNGMHVZWRFHMH-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601689142 1350338376 /nfs/dbraw/zinc/33/83/76/1350338376.db2.gz KSRVZOYBZXSLTC-WRWORJQWSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Br)[nH]n1 ZINC001602194649 1350462436 /nfs/dbraw/zinc/46/24/36/1350462436.db2.gz WYRZFEUZMWAUKS-HGNGGELXSA-N -1 1 342.193 2.030 20 0 EEADMM CC(C)N(Cc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603330644 1350688858 /nfs/dbraw/zinc/68/88/58/1350688858.db2.gz BRASHWSSIBPNJI-UHFFFAOYSA-N -1 1 327.348 2.297 20 0 EEADMM CC(C)N(Cc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603330644 1350688862 /nfs/dbraw/zinc/68/88/62/1350688862.db2.gz BRASHWSSIBPNJI-UHFFFAOYSA-N -1 1 327.348 2.297 20 0 EEADMM 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/nfs/dbraw/zinc/84/26/88/1351842688.db2.gz XTQITYIIHJQPRU-UHFFFAOYSA-N -1 1 347.379 2.308 20 0 EEADMM CC(C)Cc1nnc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001609097830 1351842693 /nfs/dbraw/zinc/84/26/93/1351842693.db2.gz XTQITYIIHJQPRU-UHFFFAOYSA-N -1 1 347.379 2.308 20 0 EEADMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001323406202 1333457505 /nfs/dbraw/zinc/45/75/05/1333457505.db2.gz QXZVSDFZBNWVSB-PELKAZGASA-N -1 1 341.260 2.464 20 0 EEADMM C[C@H](COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C1CC1 ZINC001609114311 1351849441 /nfs/dbraw/zinc/84/94/41/1351849441.db2.gz DUZXOSQVDSNFKE-SSDOTTSWSA-N -1 1 341.293 2.483 20 0 EEADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609152314 1351864239 /nfs/dbraw/zinc/86/42/39/1351864239.db2.gz AHVZCFHHIKZDAG-HTQZYQBOSA-N -1 1 332.355 2.486 20 0 EEADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609152314 1351864243 /nfs/dbraw/zinc/86/42/43/1351864243.db2.gz AHVZCFHHIKZDAG-HTQZYQBOSA-N -1 1 332.355 2.486 20 0 EEADMM CC[C@@](C)(NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1nccs1 ZINC001609182866 1351879856 /nfs/dbraw/zinc/87/98/56/1351879856.db2.gz JYJWPVMEJBMZML-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@@](C)(NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1nccs1 ZINC001609182866 1351879860 /nfs/dbraw/zinc/87/98/60/1351879860.db2.gz JYJWPVMEJBMZML-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC=CC=CC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001609180249 1351878458 /nfs/dbraw/zinc/87/84/58/1351878458.db2.gz IOMROQDYFGAERU-TZOXPPMKSA-N -1 1 335.371 2.432 20 0 EEADMM CC=CC=CC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001609180249 1351878461 /nfs/dbraw/zinc/87/84/61/1351878461.db2.gz IOMROQDYFGAERU-TZOXPPMKSA-N -1 1 335.371 2.432 20 0 EEADMM CCSCC[C@H](C)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609248727 1351908342 /nfs/dbraw/zinc/90/83/42/1351908342.db2.gz QUXKIAHSMFDMQZ-ZETCQYMHSA-N -1 1 341.466 2.285 20 0 EEADMM CCSCC[C@H](C)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609248727 1351908344 /nfs/dbraw/zinc/90/83/44/1351908344.db2.gz QUXKIAHSMFDMQZ-ZETCQYMHSA-N -1 1 341.466 2.285 20 0 EEADMM CN(CCC1CCOCC1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609275331 1351917944 /nfs/dbraw/zinc/91/79/44/1351917944.db2.gz VYOURFCPHQXCBT-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM CN(CCC1CCOCC1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609275331 1351917945 /nfs/dbraw/zinc/91/79/45/1351917945.db2.gz VYOURFCPHQXCBT-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2csc(-c3nn[n-]n3)c2)C1(C)C ZINC001609312520 1351928534 /nfs/dbraw/zinc/92/85/34/1351928534.db2.gz HOBKDLQANFZXSO-NHYWBVRUSA-N -1 1 335.433 2.204 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCOc2ccccc2Cl)n1 ZINC001609391690 1351957211 /nfs/dbraw/zinc/95/72/11/1351957211.db2.gz SENAJBLQVRWCMS-UHFFFAOYSA-N -1 1 345.794 2.134 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCOc2ccccc2Cl)n1 ZINC001609391690 1351957214 /nfs/dbraw/zinc/95/72/14/1351957214.db2.gz SENAJBLQVRWCMS-UHFFFAOYSA-N -1 1 345.794 2.134 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408524 1351964635 /nfs/dbraw/zinc/96/46/35/1351964635.db2.gz AJWGUZBEEJMZCD-NSHDSACASA-N -1 1 340.435 2.425 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408524 1351964638 /nfs/dbraw/zinc/96/46/38/1351964638.db2.gz AJWGUZBEEJMZCD-NSHDSACASA-N -1 1 340.435 2.425 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccnc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC001609428537 1351972783 /nfs/dbraw/zinc/97/27/83/1351972783.db2.gz JWMFUZCBOUWBRE-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccnc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC001609428537 1351972786 /nfs/dbraw/zinc/97/27/86/1351972786.db2.gz JWMFUZCBOUWBRE-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1cccc2c1OCC[C@H]2OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609434832 1351975223 /nfs/dbraw/zinc/97/52/23/1351975223.db2.gz IKGWRGWXTHOIBJ-CQSZACIVSA-N -1 1 337.339 2.251 20 0 EEADMM Cc1cccc2c1OCC[C@H]2OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609434832 1351975225 /nfs/dbraw/zinc/97/52/25/1351975225.db2.gz IKGWRGWXTHOIBJ-CQSZACIVSA-N -1 1 337.339 2.251 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cccc(F)c1F ZINC001609468074 1351988330 /nfs/dbraw/zinc/98/83/30/1351988330.db2.gz ZUAWYWDFMOGXBK-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cccc(F)c1F ZINC001609468074 1351988331 /nfs/dbraw/zinc/98/83/31/1351988331.db2.gz ZUAWYWDFMOGXBK-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)nn1[C@H](C)C1CC1 ZINC001609468380 1351989525 /nfs/dbraw/zinc/98/95/25/1351989525.db2.gz RPQQNTPGHGPASM-SECBINFHSA-N -1 1 341.375 2.496 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)nn1[C@H](C)C1CC1 ZINC001609468380 1351989527 /nfs/dbraw/zinc/98/95/27/1351989527.db2.gz RPQQNTPGHGPASM-SECBINFHSA-N -1 1 341.375 2.496 20 0 EEADMM Clc1ccccc1N1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609474115 1351990778 /nfs/dbraw/zinc/99/07/78/1351990778.db2.gz HEONWLIVFGTNFT-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccccc1N1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609474115 1351990780 /nfs/dbraw/zinc/99/07/80/1351990780.db2.gz HEONWLIVFGTNFT-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM FC(F)(F)c1ccc(NCC2=CCCOC2)nc1-c1nnn[n-]1 ZINC001609484865 1351993844 /nfs/dbraw/zinc/99/38/44/1351993844.db2.gz SKLXPEBIOWNXBH-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM FC(F)(F)c1ccc(NCC2=CCCOC2)nc1-c1nn[n-]n1 ZINC001609484865 1351993848 /nfs/dbraw/zinc/99/38/48/1351993848.db2.gz SKLXPEBIOWNXBH-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM Fc1cccc(-n2ccc(NC[C@@H]3CCSC3)n2)c1-c1nn[n-]n1 ZINC001609491586 1351997275 /nfs/dbraw/zinc/99/72/75/1351997275.db2.gz SBYRDLSDLBQOJY-JTQLQIEISA-N -1 1 345.407 2.357 20 0 EEADMM O=C(OCC(Cl)(Cl)Cl)c1ccc(-c2nnn[n-]2)s1 ZINC001609573674 1352021533 /nfs/dbraw/zinc/02/15/33/1352021533.db2.gz KTXXGBASZVYWTB-UHFFFAOYSA-N -1 1 327.580 2.455 20 0 EEADMM O=C(OCC(Cl)(Cl)Cl)c1ccc(-c2nn[n-]n2)s1 ZINC001609573674 1352021536 /nfs/dbraw/zinc/02/15/36/1352021536.db2.gz KTXXGBASZVYWTB-UHFFFAOYSA-N -1 1 327.580 2.455 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCOc2c(Cl)cccc21 ZINC001609582336 1352026242 /nfs/dbraw/zinc/02/62/42/1352026242.db2.gz VYHBDMFJSIOPQX-UHFFFAOYSA-N -1 1 331.719 2.152 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1ccc(Cl)cc1)CCC2 ZINC001609604270 1352033011 /nfs/dbraw/zinc/03/30/11/1352033011.db2.gz DUKOAHYYKSCKLM-UHFFFAOYSA-N -1 1 341.802 2.413 20 0 EEADMM O[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001609607342 1352035380 /nfs/dbraw/zinc/03/53/80/1352035380.db2.gz YHJSJCQOQHBPEN-JTQLQIEISA-N -1 1 335.726 2.167 20 0 EEADMM C[C@@H](NC(=O)[C@H](C)N[C@H](C(=O)[O-])C1CC1)c1cc2ccccc2o1 ZINC001609772638 1352081466 /nfs/dbraw/zinc/08/14/66/1352081466.db2.gz DTODWCCMMIKRQC-GDLVEWKHSA-N -1 1 330.384 2.451 20 0 EEADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001609877344 1352109408 /nfs/dbraw/zinc/10/94/08/1352109408.db2.gz QQZUKRUZVSEBLH-IINYFYTJSA-N -1 1 329.356 2.178 20 0 EEADMM O=C(c1ccc(Cl)c2ncccc12)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352586622 1337988947 /nfs/dbraw/zinc/98/89/47/1337988947.db2.gz UAJXAUCAAYLATL-SECBINFHSA-N -1 1 328.763 2.031 20 0 EEADMM Cc1ccc(-c2nnc([C@H](C)N3C[C@@H](O)C[C@H](C(=O)[O-])C3)o2)cc1C ZINC001610482745 1352230366 /nfs/dbraw/zinc/23/03/66/1352230366.db2.gz NWVRDBHLBBMMDP-QEJZJMRPSA-N -1 1 345.399 2.182 20 0 EEADMM Cc1ccc([C@H](NCCC(=O)N(C)CC(=O)[O-])c2ccccn2)cc1 ZINC001610494899 1352233210 /nfs/dbraw/zinc/23/32/10/1352233210.db2.gz JCRJOXNVJWQDEV-IBGZPJMESA-N -1 1 341.411 2.002 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C)c1 ZINC000029339422 1352233236 /nfs/dbraw/zinc/23/32/36/1352233236.db2.gz BJNZEQCYPVUGJN-UHFFFAOYSA-N -1 1 330.365 2.454 20 0 EEADMM CCC1(C(=O)NCC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001416544736 1339146700 /nfs/dbraw/zinc/14/67/00/1339146700.db2.gz ZDXVWVLSEWCTAF-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]Cc1nc(C2CC2)no1 ZINC000849371125 1339155050 /nfs/dbraw/zinc/15/50/50/1339155050.db2.gz KFAFFCLXADTAEC-UHFFFAOYSA-N -1 1 345.783 2.359 20 0 EEADMM O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1F ZINC001610706300 1352262463 /nfs/dbraw/zinc/26/24/63/1352262463.db2.gz BKGFIQJPNWTSHT-SSDOTTSWSA-N -1 1 336.298 2.065 20 0 EEADMM CC(C)[C@H](F)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428372645 1339483525 /nfs/dbraw/zinc/48/35/25/1339483525.db2.gz TUIUZCHSKIKFKG-STQMWFEESA-N -1 1 339.411 2.042 20 0 EEADMM O=C([O-])CCN(Cc1cccc(Br)c1)CC1OCCO1 ZINC001610773009 1352272256 /nfs/dbraw/zinc/27/22/56/1352272256.db2.gz OIFOHWAGMCPSFU-UHFFFAOYSA-N -1 1 344.205 2.099 20 0 EEADMM O=C([O-])COc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC001610786741 1352274414 /nfs/dbraw/zinc/27/44/14/1352274414.db2.gz OFXZOMXHSBXRLN-BMFZPTHFSA-N -1 1 333.384 2.368 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2cncc(F)c2)CC1 ZINC001610796880 1352276130 /nfs/dbraw/zinc/27/61/30/1352276130.db2.gz QVLHJACCNIZOFG-UHFFFAOYSA-N -1 1 329.375 2.170 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(C/C=C/c3ccc(F)cc3F)C2)nn1 ZINC001610859900 1352286787 /nfs/dbraw/zinc/28/67/87/1352286787.db2.gz YDHUXADHWNMITO-AORQRIRUSA-N -1 1 334.326 2.215 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(Cc3ccccc3OCC3CC3)C2)nn1 ZINC001610859863 1352286815 /nfs/dbraw/zinc/28/68/15/1352286815.db2.gz XNOQCISXMCBGQE-HNNXBMFYSA-N -1 1 342.399 2.212 20 0 EEADMM C/C(Nc1ccc2c(C)cc(=O)oc2c1)=C1/C(=O)[N-]C(=S)NC1=O ZINC000009954989 1352306458 /nfs/dbraw/zinc/30/64/58/1352306458.db2.gz PPWGDPSIPASGDD-UHFFFAOYSA-N -1 1 343.364 2.159 20 0 EEADMM C/C(Nc1ccc2c(C)cc(=O)oc2c1)=C1\C(=O)[N-]C(=S)NC1=O ZINC000009954989 1352306460 /nfs/dbraw/zinc/30/64/60/1352306460.db2.gz PPWGDPSIPASGDD-UHFFFAOYSA-N -1 1 343.364 2.159 20 0 EEADMM CC(Nc1ccc2c(C)cc(=O)oc2c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009954989 1352306461 /nfs/dbraw/zinc/30/64/61/1352306461.db2.gz PPWGDPSIPASGDD-UHFFFAOYSA-N -1 1 343.364 2.159 20 0 EEADMM O=C(NCc1nn[n-]n1)c1ccc2ccc(Br)cc2c1 ZINC001614991760 1352322503 /nfs/dbraw/zinc/32/25/03/1352322503.db2.gz KPGJEYFFMLDFQX-UHFFFAOYSA-N -1 1 332.161 2.045 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001430911556 1340377552 /nfs/dbraw/zinc/37/75/52/1340377552.db2.gz WVRXOKSQACDNBJ-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CSc1ncc(C(=O)Nc2ccnn2Cc2ccc(C)o2)c(=O)[n-]1 ZINC001616275857 1352327521 /nfs/dbraw/zinc/32/75/21/1352327521.db2.gz SFQJLAVFWUASBJ-UHFFFAOYSA-N -1 1 345.384 2.303 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2nccnc2C2CC2)c(=O)[n-]1 ZINC001433565112 1341628083 /nfs/dbraw/zinc/62/80/83/1341628083.db2.gz SODQFOYJDVHKFG-UHFFFAOYSA-N -1 1 345.428 2.451 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cnc(SC)[n-]c2=O)[C@@H](C)[C@H]1OC ZINC001433866372 1341708268 /nfs/dbraw/zinc/70/82/68/1341708268.db2.gz HITWKUJYIWRISD-YUSALJHKSA-N -1 1 339.461 2.474 20 0 EEADMM O=C(CC1CCCCC1)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001433866294 1341708380 /nfs/dbraw/zinc/70/83/80/1341708380.db2.gz TVXXIKHEBJHWFJ-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM COC(=O)c1cc(C(=O)[N-]c2sc(C)c(C)c2C(=O)OC)no1 ZINC001434842270 1341959367 /nfs/dbraw/zinc/95/93/67/1341959367.db2.gz NHOMDTZFOHIWRW-UHFFFAOYSA-N -1 1 338.341 2.178 20 0 EEADMM CC(C)Cn1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574242827 1343671702 /nfs/dbraw/zinc/67/17/02/1343671702.db2.gz MEKZOBSTDWDMPB-UHFFFAOYSA-N -1 1 346.420 2.102 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]2CCC[C@@H]21 ZINC001575702834 1343861032 /nfs/dbraw/zinc/86/10/32/1343861032.db2.gz OWDWVDPKIRRDRX-CMPLNLGQSA-N -1 1 327.392 2.304 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]2CCC[C@@H]21 ZINC001575702834 1343861035 /nfs/dbraw/zinc/86/10/35/1343861035.db2.gz OWDWVDPKIRRDRX-CMPLNLGQSA-N -1 1 327.392 2.304 20 0 EEADMM CCC[C@@H](C)CN(C)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577300708 1344124652 /nfs/dbraw/zinc/12/46/52/1344124652.db2.gz LNJQFVVRROAENU-LLVKDONJSA-N -1 1 344.423 2.280 20 0 EEADMM CCC[C@@H](C)CN(C)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577300708 1344124658 /nfs/dbraw/zinc/12/46/58/1344124658.db2.gz LNJQFVVRROAENU-LLVKDONJSA-N -1 1 344.423 2.280 20 0 EEADMM CCC[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577301599 1344125020 /nfs/dbraw/zinc/12/50/20/1344125020.db2.gz ZHKWZODRQYFFRW-LLVKDONJSA-N -1 1 344.423 2.287 20 0 EEADMM CCC[C@@H](C)N(C)c1nnc(CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577301599 1344125025 /nfs/dbraw/zinc/12/50/25/1344125025.db2.gz ZHKWZODRQYFFRW-LLVKDONJSA-N -1 1 344.423 2.287 20 0 EEADMM CN1CCc2ccc(NC(=O)c3csc(-c4nn[n-]n4)c3)cc21 ZINC001579381447 1344377763 /nfs/dbraw/zinc/37/77/63/1344377763.db2.gz HZDLOHVYTMVKDP-UHFFFAOYSA-N -1 1 326.385 2.173 20 0 EEADMM COc1c(C)cccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579874720 1344424024 /nfs/dbraw/zinc/42/40/24/1344424024.db2.gz HFLASLAVZBGZLX-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc2cccnc21 ZINC001579935389 1344436015 /nfs/dbraw/zinc/43/60/15/1344436015.db2.gz WARPRHAQPHQQBA-UHFFFAOYSA-N -1 1 336.311 2.269 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc2cccnc21 ZINC001579935389 1344436018 /nfs/dbraw/zinc/43/60/18/1344436018.db2.gz WARPRHAQPHQQBA-UHFFFAOYSA-N -1 1 336.311 2.269 20 0 EEADMM COc1ccc(C(=O)Nc2cc(C)cc(-c3nn[nH]n3)c2)c([O-])c1 ZINC001579988554 1344443883 /nfs/dbraw/zinc/44/38/83/1344443883.db2.gz LUBQPXMJZCIZCO-UHFFFAOYSA-N -1 1 325.328 2.142 20 0 EEADMM COc1ncc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133727 1344478153 /nfs/dbraw/zinc/47/81/53/1344478153.db2.gz WTELUDWJBPODCK-UWVGGRQHSA-N -1 1 330.392 2.281 20 0 EEADMM O=C(CSc1cccc(F)c1-c1nn[n-]n1)Nc1nccs1 ZINC001582132866 1344704836 /nfs/dbraw/zinc/70/48/36/1344704836.db2.gz DQVGQKIIPAKUDF-UHFFFAOYSA-N -1 1 336.377 2.193 20 0 EEADMM O=C(N=[S@@]1(=O)CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC001582217822 1344712846 /nfs/dbraw/zinc/71/28/46/1344712846.db2.gz LRXANLXHTLQWLQ-HSZRJFAPSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N=[S@@]1(=O)CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC001582217822 1344712849 /nfs/dbraw/zinc/71/28/49/1344712849.db2.gz LRXANLXHTLQWLQ-HSZRJFAPSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C2CC2)C1 ZINC001582549292 1344760594 /nfs/dbraw/zinc/76/05/94/1344760594.db2.gz VCQRKNLHBMTBGM-NSHDSACASA-N -1 1 332.433 2.260 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc2c1CCC2 ZINC001582551469 1344761445 /nfs/dbraw/zinc/76/14/45/1344761445.db2.gz LROXYKVRHCVXHU-UHFFFAOYSA-N -1 1 325.397 2.347 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2cccc(Cl)c2C1 ZINC001582708498 1344784659 /nfs/dbraw/zinc/78/46/59/1344784659.db2.gz MLBJZODNPZZQRB-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2cccc(Cl)c2C1 ZINC001582708498 1344784664 /nfs/dbraw/zinc/78/46/64/1344784664.db2.gz MLBJZODNPZZQRB-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(c2ccccn2)C1 ZINC001582744884 1344788783 /nfs/dbraw/zinc/78/87/83/1344788783.db2.gz MJSHWPIMCDRBDY-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM Brc1ccc(NCc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001588320647 1348883693 /nfs/dbraw/zinc/88/36/93/1348883693.db2.gz VGRUDQZLBJQVKP-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccc(NCc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001588320647 1348883700 /nfs/dbraw/zinc/88/37/00/1348883700.db2.gz VGRUDQZLBJQVKP-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)ccc1C ZINC001588873195 1348940590 /nfs/dbraw/zinc/94/05/90/1348940590.db2.gz ISZBPEHUDFJIHL-UHFFFAOYSA-N -1 1 340.343 2.287 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)ccc1C ZINC001588873195 1348940595 /nfs/dbraw/zinc/94/05/95/1348940595.db2.gz ISZBPEHUDFJIHL-UHFFFAOYSA-N -1 1 340.343 2.287 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001589193288 1348967736 /nfs/dbraw/zinc/96/77/36/1348967736.db2.gz PESJPJASJFPSAZ-ZIAGYGMSSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001589193288 1348967739 /nfs/dbraw/zinc/96/77/39/1348967739.db2.gz PESJPJASJFPSAZ-ZIAGYGMSSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)(C)c1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001589227022 1348972414 /nfs/dbraw/zinc/97/24/14/1348972414.db2.gz KOTXLRXKKWXRIF-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001589227022 1348972418 /nfs/dbraw/zinc/97/24/18/1348972418.db2.gz KOTXLRXKKWXRIF-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(CNc2cccnc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001589226958 1348972472 /nfs/dbraw/zinc/97/24/72/1348972472.db2.gz HLOZKOIVKFHGRF-UHFFFAOYSA-N -1 1 325.376 2.272 20 0 EEADMM CC(C)(C)c1ccc(CNc2cccnc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001589226958 1348972473 /nfs/dbraw/zinc/97/24/73/1348972473.db2.gz HLOZKOIVKFHGRF-UHFFFAOYSA-N -1 1 325.376 2.272 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2ncncc2-c2nn[n-]n2)c1 ZINC001589228597 1348972530 /nfs/dbraw/zinc/97/25/30/1348972530.db2.gz BSTPHDYCTWZICD-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(CC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC001589270778 1348978190 /nfs/dbraw/zinc/97/81/90/1348978190.db2.gz OXLVCUUXHARXQU-UHFFFAOYSA-N -1 1 329.282 2.255 20 0 EEADMM CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589707641 1349022260 /nfs/dbraw/zinc/02/22/60/1349022260.db2.gz JVKKMSYWXLKJLB-UHFFFAOYSA-N -1 1 338.375 2.099 20 0 EEADMM CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589707641 1349022264 /nfs/dbraw/zinc/02/22/64/1349022264.db2.gz JVKKMSYWXLKJLB-UHFFFAOYSA-N -1 1 338.375 2.099 20 0 EEADMM CC(C)c1scnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589781133 1349039501 /nfs/dbraw/zinc/03/95/01/1349039501.db2.gz HVKWZTVTVBUHHT-UHFFFAOYSA-N -1 1 329.389 2.023 20 0 EEADMM CC(C)c1scnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589781133 1349039507 /nfs/dbraw/zinc/03/95/07/1349039507.db2.gz HVKWZTVTVBUHHT-UHFFFAOYSA-N -1 1 329.389 2.023 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC001589944564 1349072668 /nfs/dbraw/zinc/07/26/68/1349072668.db2.gz NSEQKRJZLUJNJV-AMJWSMQMSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC001589944564 1349072674 /nfs/dbraw/zinc/07/26/74/1349072674.db2.gz NSEQKRJZLUJNJV-AMJWSMQMSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1 ZINC001589982181 1349092016 /nfs/dbraw/zinc/09/20/16/1349092016.db2.gz SYCBWZCSYPGVAX-YMTOWFKASA-N -1 1 330.779 2.449 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1 ZINC001589982181 1349092019 /nfs/dbraw/zinc/09/20/19/1349092019.db2.gz SYCBWZCSYPGVAX-YMTOWFKASA-N -1 1 330.779 2.449 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1(F)F ZINC001590075905 1349139735 /nfs/dbraw/zinc/13/97/35/1349139735.db2.gz FEZRTPDZRMBPSW-SECBINFHSA-N -1 1 343.284 2.166 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1(F)F ZINC001590075905 1349139738 /nfs/dbraw/zinc/13/97/38/1349139738.db2.gz FEZRTPDZRMBPSW-SECBINFHSA-N -1 1 343.284 2.166 20 0 EEADMM C[C@]1(CNc2cccnc2-c2nnn[n-]2)OCCc2sccc21 ZINC001590136102 1349171390 /nfs/dbraw/zinc/17/13/90/1349171390.db2.gz QUVBVNIFOGVXPQ-OAHLLOKOSA-N -1 1 328.401 2.223 20 0 EEADMM C[C@]1(CNc2cccnc2-c2nn[n-]n2)OCCc2sccc21 ZINC001590136102 1349171396 /nfs/dbraw/zinc/17/13/96/1349171396.db2.gz QUVBVNIFOGVXPQ-OAHLLOKOSA-N -1 1 328.401 2.223 20 0 EEADMM C[C@@]12CCN(C(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@@H]1C2(F)F ZINC001590154670 1349177222 /nfs/dbraw/zinc/17/72/22/1349177222.db2.gz DNKBWWFCDPZYPI-IINYFYTJSA-N -1 1 337.305 2.123 20 0 EEADMM C[C@@]12CCN(C(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@@H]1C2(F)F ZINC001590154670 1349177227 /nfs/dbraw/zinc/17/72/27/1349177227.db2.gz DNKBWWFCDPZYPI-IINYFYTJSA-N -1 1 337.305 2.123 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)C[C@@H](C)C1 ZINC001590186862 1349187526 /nfs/dbraw/zinc/18/75/26/1349187526.db2.gz GKELRIWWIUTTSV-URLYPYJESA-N -1 1 349.464 2.195 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)C[C@@H](C)C1 ZINC001590186862 1349187533 /nfs/dbraw/zinc/18/75/33/1349187533.db2.gz GKELRIWWIUTTSV-URLYPYJESA-N -1 1 349.464 2.195 20 0 EEADMM C[C@@H]1C[C@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CCO1 ZINC001590191110 1349192463 /nfs/dbraw/zinc/19/24/63/1349192463.db2.gz DVKGSRBIHDIFCU-NXEZZACHSA-N -1 1 331.401 2.058 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)C1 ZINC001590225137 1349211452 /nfs/dbraw/zinc/21/14/52/1349211452.db2.gz YHYKYOIYSUZBQD-NEPJUHHUSA-N -1 1 346.460 2.013 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590233820 1349216735 /nfs/dbraw/zinc/21/67/35/1349216735.db2.gz MPEKDMKCWBBQSU-WDSKDSINSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590253402 1349229212 /nfs/dbraw/zinc/22/92/12/1349229212.db2.gz FGKRSEFPOODIAP-CMPLNLGQSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001590298169 1349250397 /nfs/dbraw/zinc/25/03/97/1349250397.db2.gz SNKRRRBARFFISL-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001590298169 1349250405 /nfs/dbraw/zinc/25/04/05/1349250405.db2.gz SNKRRRBARFFISL-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@@H]1COC2(CCCC2)CN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590327151 1349266813 /nfs/dbraw/zinc/26/68/13/1349266813.db2.gz ZPJLUBJTZVOMEP-LLVKDONJSA-N -1 1 341.419 2.072 20 0 EEADMM C[C@@H]1COC2(CCCC2)CN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590327151 1349266816 /nfs/dbraw/zinc/26/68/16/1349266816.db2.gz ZPJLUBJTZVOMEP-LLVKDONJSA-N -1 1 341.419 2.072 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001590415670 1349313699 /nfs/dbraw/zinc/31/36/99/1349313699.db2.gz KIVWOWSCARVWDG-GFCCVEGCSA-N -1 1 337.383 2.425 20 0 EEADMM CC[C@H](CC(=O)Nc1c[nH]nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC001590422602 1349317217 /nfs/dbraw/zinc/31/72/17/1349317217.db2.gz OEOYBJSZLDBOBE-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590422602 1349317222 /nfs/dbraw/zinc/31/72/22/1349317222.db2.gz OEOYBJSZLDBOBE-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CCC(CC)NC(=O)[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001590435804 1349324451 /nfs/dbraw/zinc/32/44/51/1349324451.db2.gz KDVOEUNRPSGTPD-VIFPVBQESA-N -1 1 349.464 2.059 20 0 EEADMM CC[C@H](OCCNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001590479345 1349351700 /nfs/dbraw/zinc/35/17/00/1349351700.db2.gz VVEXZIZCBMCRJB-AWEZNQCLSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@H](OCCNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001590479345 1349351707 /nfs/dbraw/zinc/35/17/07/1349351707.db2.gz VVEXZIZCBMCRJB-AWEZNQCLSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@@]1(C)CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001590490418 1349354387 /nfs/dbraw/zinc/35/43/87/1349354387.db2.gz MRXQGZOACGWJQX-ZDUSSCGKSA-N -1 1 342.325 2.286 20 0 EEADMM CC[C@@]1(C)CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001590490418 1349354390 /nfs/dbraw/zinc/35/43/90/1349354390.db2.gz MRXQGZOACGWJQX-ZDUSSCGKSA-N -1 1 342.325 2.286 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590512660 1349362733 /nfs/dbraw/zinc/36/27/33/1349362733.db2.gz WIGCCDTXKYMZJK-DGCLKSJQSA-N -1 1 330.392 2.186 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590512660 1349362739 /nfs/dbraw/zinc/36/27/39/1349362739.db2.gz WIGCCDTXKYMZJK-DGCLKSJQSA-N -1 1 330.392 2.186 20 0 EEADMM CC[C@@H]1CCCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590513467 1349363077 /nfs/dbraw/zinc/36/30/77/1349363077.db2.gz KEUQCMZFKDHLAB-SECBINFHSA-N -1 1 340.309 2.295 20 0 EEADMM CCN(CC)c1ccc(CNc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001590688640 1349390284 /nfs/dbraw/zinc/39/02/84/1349390284.db2.gz DZDOPKDEACLTDH-UHFFFAOYSA-N -1 1 344.448 2.485 20 0 EEADMM CCO[C@H](CNC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001590785605 1349399688 /nfs/dbraw/zinc/39/96/88/1349399688.db2.gz NGYPTDMGPXIDKO-CYBMUJFWSA-N -1 1 343.412 2.436 20 0 EEADMM CCO[C@H](CNC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001590785605 1349399693 /nfs/dbraw/zinc/39/96/93/1349399693.db2.gz NGYPTDMGPXIDKO-CYBMUJFWSA-N -1 1 343.412 2.436 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1ncncc1-c1nn[n-]n1 ZINC001590828187 1349401443 /nfs/dbraw/zinc/40/14/43/1349401443.db2.gz CHGGLIYANQAFOP-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCc1nc(NCCCNc2cccc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590918371 1349412898 /nfs/dbraw/zinc/41/28/98/1349412898.db2.gz ANLJBJJIYRKXTJ-UHFFFAOYSA-N -1 1 342.382 2.272 20 0 EEADMM CCc1nc(NCCCNc2cccc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590918371 1349412900 /nfs/dbraw/zinc/41/29/00/1349412900.db2.gz ANLJBJJIYRKXTJ-UHFFFAOYSA-N -1 1 342.382 2.272 20 0 EEADMM CCc1nn(Cc2cc(C)ccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929807 1349418052 /nfs/dbraw/zinc/41/80/52/1349418052.db2.gz WTKUGLZJTCTNSX-UHFFFAOYSA-N -1 1 342.378 2.044 20 0 EEADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(F)c(F)c1 ZINC001591382861 1349477550 /nfs/dbraw/zinc/47/75/50/1349477550.db2.gz PEXBSMVGZBSUGE-ZDUSSCGKSA-N -1 1 347.329 2.043 20 0 EEADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(F)c(F)c1 ZINC001591382861 1349477556 /nfs/dbraw/zinc/47/75/56/1349477556.db2.gz PEXBSMVGZBSUGE-ZDUSSCGKSA-N -1 1 347.329 2.043 20 0 EEADMM COc1ccc2[nH]c3c(c2c1)CCN(c1cccc(-c2nnn[n-]2)n1)C3 ZINC001591625121 1349519468 /nfs/dbraw/zinc/51/94/68/1349519468.db2.gz SWTHEUSLWGZFES-UHFFFAOYSA-N -1 1 347.382 2.314 20 0 EEADMM COc1ccc2[nH]c3c(c2c1)CCN(c1cccc(-c2nn[n-]n2)n1)C3 ZINC001591625121 1349519473 /nfs/dbraw/zinc/51/94/73/1349519473.db2.gz SWTHEUSLWGZFES-UHFFFAOYSA-N -1 1 347.382 2.314 20 0 EEADMM COc1ccccc1C1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC001591648465 1349524827 /nfs/dbraw/zinc/52/48/27/1349524827.db2.gz CSCUPKMIOPAVTR-UHFFFAOYSA-N -1 1 342.384 2.002 20 0 EEADMM COc1ccccc1C1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC001591648465 1349524829 /nfs/dbraw/zinc/52/48/29/1349524829.db2.gz CSCUPKMIOPAVTR-UHFFFAOYSA-N -1 1 342.384 2.002 20 0 EEADMM Cc1[nH]nc(NC(=O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC001592330645 1349622414 /nfs/dbraw/zinc/62/24/14/1349622414.db2.gz QBWAFGWMNNIRRL-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592433518 1349632010 /nfs/dbraw/zinc/63/20/10/1349632010.db2.gz CQGLOLFGTPEVLA-JTQLQIEISA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H](C)C2CCCCC2)c1-c1nn[n-]n1 ZINC001592433518 1349632011 /nfs/dbraw/zinc/63/20/11/1349632011.db2.gz CQGLOLFGTPEVLA-JTQLQIEISA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nsc(N2CCC([C@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001592472503 1349634748 /nfs/dbraw/zinc/63/47/48/1349634748.db2.gz MSRJXVUTDJZRNF-GFCCVEGCSA-N -1 1 334.449 2.417 20 0 EEADMM Cc1nsc(NC(=O)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC001592479234 1349635377 /nfs/dbraw/zinc/63/53/77/1349635377.db2.gz FUVBIEQEXWTYEB-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Cc1nsc(NC(=O)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC001592479234 1349635385 /nfs/dbraw/zinc/63/53/85/1349635385.db2.gz FUVBIEQEXWTYEB-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Cc1nsc(N[C@H]2CCO[C@@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC001592486851 1349636901 /nfs/dbraw/zinc/63/69/01/1349636901.db2.gz TXKFWRSYWPXZAL-ZANVPECISA-N -1 1 338.462 2.098 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC001592502367 1349638054 /nfs/dbraw/zinc/63/80/54/1349638054.db2.gz RXTHWQNYSJOVLP-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 ZINC001592502367 1349638055 /nfs/dbraw/zinc/63/80/55/1349638055.db2.gz RXTHWQNYSJOVLP-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592507884 1349643685 /nfs/dbraw/zinc/64/36/85/1349643685.db2.gz ZQRYSTXBBAYTNU-UHFFFAOYSA-N -1 1 342.363 2.139 20 0 EEADMM Cc1onc(CC(=O)N2CCCC3(CCCC3)CC2)c1-c1nnn[n-]1 ZINC001592515601 1349644272 /nfs/dbraw/zinc/64/42/72/1349644272.db2.gz IJDWPVHMDNEXON-UHFFFAOYSA-N -1 1 344.419 2.279 20 0 EEADMM Cc1onc(CC(=O)N2CCCC3(CCCC3)CC2)c1-c1nn[n-]n1 ZINC001592515601 1349644274 /nfs/dbraw/zinc/64/42/74/1349644274.db2.gz IJDWPVHMDNEXON-UHFFFAOYSA-N -1 1 344.419 2.279 20 0 EEADMM Clc1cc(CSCCNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001592525762 1349648019 /nfs/dbraw/zinc/64/80/19/1349648019.db2.gz BWFPDAJRDKVISZ-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1cc(CSCCNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001592525762 1349648021 /nfs/dbraw/zinc/64/80/21/1349648021.db2.gz BWFPDAJRDKVISZ-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3cccs3)o2)n1 ZINC001592561128 1349658775 /nfs/dbraw/zinc/65/87/75/1349658775.db2.gz WFUICAFHKKPVBU-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3cccs3)o2)n1 ZINC001592561128 1349658776 /nfs/dbraw/zinc/65/87/76/1349658776.db2.gz WFUICAFHKKPVBU-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592593551 1349665717 /nfs/dbraw/zinc/66/57/17/1349665717.db2.gz JXZHPCXKAFZPKX-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592593551 1349665723 /nfs/dbraw/zinc/66/57/23/1349665723.db2.gz JXZHPCXKAFZPKX-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1nccc1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592606912 1349668965 /nfs/dbraw/zinc/66/89/65/1349668965.db2.gz RYKFJEZWZORHEO-LBPRGKRZSA-N -1 1 344.810 2.380 20 0 EEADMM Cn1nccc1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592606912 1349668969 /nfs/dbraw/zinc/66/89/69/1349668969.db2.gz RYKFJEZWZORHEO-LBPRGKRZSA-N -1 1 344.810 2.380 20 0 EEADMM FC(F)(F)C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001592615203 1349671598 /nfs/dbraw/zinc/67/15/98/1349671598.db2.gz FYPZGXBYXJAKRZ-QMMMGPOBSA-N -1 1 333.339 2.081 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NCCc2cscn2)c1 ZINC001592622944 1349676501 /nfs/dbraw/zinc/67/65/01/1349676501.db2.gz XHKWLDRBSNRAPJ-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NCCc2cscn2)c1 ZINC001592622944 1349676505 /nfs/dbraw/zinc/67/65/05/1349676505.db2.gz XHKWLDRBSNRAPJ-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM Fc1ccc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)c(F)c1 ZINC001592648965 1349693641 /nfs/dbraw/zinc/69/36/41/1349693641.db2.gz NUZCNUNOGKGWEH-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1ccc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)c(F)c1 ZINC001592648965 1349693645 /nfs/dbraw/zinc/69/36/45/1349693645.db2.gz NUZCNUNOGKGWEH-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1cccc(OCc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001592658395 1349702745 /nfs/dbraw/zinc/70/27/45/1349702745.db2.gz LRERFRDQZNVCFC-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1cccc(OCc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001592658395 1349702751 /nfs/dbraw/zinc/70/27/51/1349702751.db2.gz LRERFRDQZNVCFC-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593017307 1349733798 /nfs/dbraw/zinc/73/37/98/1349733798.db2.gz UZQODOJKRXLVDK-HNNXBMFYSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593017307 1349733801 /nfs/dbraw/zinc/73/38/01/1349733801.db2.gz UZQODOJKRXLVDK-HNNXBMFYSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCCC1=CCCCC1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001593059606 1349735229 /nfs/dbraw/zinc/73/52/29/1349735229.db2.gz OHUFJSUBGAVLOZ-UHFFFAOYSA-N -1 1 333.421 2.013 20 0 EEADMM O=C(NCCC1=CCCCC1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001593059606 1349735232 /nfs/dbraw/zinc/73/52/32/1349735232.db2.gz OHUFJSUBGAVLOZ-UHFFFAOYSA-N -1 1 333.421 2.013 20 0 EEADMM O=C(NCc1ccc(F)c(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593138168 1349740274 /nfs/dbraw/zinc/74/02/74/1349740274.db2.gz VLTNWGBLKRAWLF-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1ccc(F)c(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593138168 1349740280 /nfs/dbraw/zinc/74/02/80/1349740280.db2.gz VLTNWGBLKRAWLF-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1coc2ccccc12)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593152808 1349743241 /nfs/dbraw/zinc/74/32/41/1349743241.db2.gz QYVWYUFRGLXIRO-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM O=C(NCc1coc2ccccc12)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593152808 1349743247 /nfs/dbraw/zinc/74/32/47/1349743247.db2.gz QYVWYUFRGLXIRO-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM O=C(Nc1cnn(C2CCCC2)c1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593255355 1349751745 /nfs/dbraw/zinc/75/17/45/1349751745.db2.gz FEBDLXLONWAJOS-UHFFFAOYSA-N -1 1 339.363 2.217 20 0 EEADMM O=C(Nc1cnn(C2CCCC2)c1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593255355 1349751747 /nfs/dbraw/zinc/75/17/47/1349751747.db2.gz FEBDLXLONWAJOS-UHFFFAOYSA-N -1 1 339.363 2.217 20 0 EEADMM O=C(OC[C@@H]1Cc2ccccc2CO1)c1sccc1-c1nn[n-]n1 ZINC001593291360 1349768434 /nfs/dbraw/zinc/76/84/34/1349768434.db2.gz LXJDTZZWVQHPQM-LBPRGKRZSA-N -1 1 342.380 2.227 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](c2nccs2)C1 ZINC001593337957 1349783301 /nfs/dbraw/zinc/78/33/01/1349783301.db2.gz BNTNAQYJPYIQQF-MRVPVSSYSA-N -1 1 332.414 2.014 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](c2nccs2)C1 ZINC001593337957 1349783304 /nfs/dbraw/zinc/78/33/04/1349783304.db2.gz BNTNAQYJPYIQQF-MRVPVSSYSA-N -1 1 332.414 2.014 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCCCC2)CC1 ZINC001593358211 1349789660 /nfs/dbraw/zinc/78/96/60/1349789660.db2.gz FCJFHRDKDOKZJN-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCCCC2)CC1 ZINC001593358211 1349789662 /nfs/dbraw/zinc/78/96/62/1349789662.db2.gz FCJFHRDKDOKZJN-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@H](Oc2ccccc2)C1 ZINC001593361930 1349790824 /nfs/dbraw/zinc/79/08/24/1349790824.db2.gz BXFBVMZEWMZJDY-LBPRGKRZSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@H](Oc2ccccc2)C1 ZINC001593361930 1349790828 /nfs/dbraw/zinc/79/08/28/1349790828.db2.gz BXFBVMZEWMZJDY-LBPRGKRZSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1cccs1 ZINC001593359053 1349791197 /nfs/dbraw/zinc/79/11/97/1349791197.db2.gz VBFAPMZKFAWNQQ-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1cccs1 ZINC001593359053 1349791201 /nfs/dbraw/zinc/79/12/01/1349791201.db2.gz VBFAPMZKFAWNQQ-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001593445260 1349801460 /nfs/dbraw/zinc/80/14/60/1349801460.db2.gz RDCNGVCOSAPKDY-UHFFFAOYSA-N -1 1 335.776 2.321 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cnc(Cl)s1)CCCC2 ZINC001593490236 1349817090 /nfs/dbraw/zinc/81/70/90/1349817090.db2.gz FAWIOQFPZAUJHR-UHFFFAOYSA-N -1 1 348.819 2.065 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cnc(-c2ccccc2)s1 ZINC001593496474 1349820496 /nfs/dbraw/zinc/82/04/96/1349820496.db2.gz LHYQPFXNUBCPKF-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM O[C@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001593538677 1349835012 /nfs/dbraw/zinc/83/50/12/1349835012.db2.gz ZTVZPACTFRCJIC-KCJUWKMLSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001593538677 1349835015 /nfs/dbraw/zinc/83/50/15/1349835015.db2.gz ZTVZPACTFRCJIC-KCJUWKMLSA-N -1 1 342.325 2.244 20 0 EEADMM c1ccc(-c2nnn(C[C@H]3CC[C@H](C4CC4)O3)c2-c2nn[n-]n2)cc1 ZINC001593567993 1349853769 /nfs/dbraw/zinc/85/37/69/1349853769.db2.gz JTQVJIZTSZLVJM-ZIAGYGMSSA-N -1 1 337.387 2.083 20 0 EEADMM c1ccc(C[C@@H](Nc2ncncc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC001593572024 1349857082 /nfs/dbraw/zinc/85/70/82/1349857082.db2.gz MFERVKSZVOXLRV-MRXNPFEDSA-N -1 1 344.382 2.448 20 0 EEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@H]1C ZINC001594346189 1349875674 /nfs/dbraw/zinc/87/56/74/1349875674.db2.gz LTKUXRZOVDLSHX-LVQVYYBASA-N -1 1 339.480 2.249 20 0 EEADMM Cc1cc(NC(=O)CCCc2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC001597761756 1349931029 /nfs/dbraw/zinc/93/10/29/1349931029.db2.gz DOOYAIIDDPICLG-UHFFFAOYSA-N -1 1 339.403 2.272 20 0 EEADMM Cc1cc(CN2CCC[C@H](S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC001600196158 1349990726 /nfs/dbraw/zinc/99/07/26/1349990726.db2.gz UAAFFWZAUQNCGE-AWEZNQCLSA-N -1 1 325.430 2.092 20 0 EEADMM Cc1ccc([C@@H]2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001600393643 1350039071 /nfs/dbraw/zinc/03/90/71/1350039071.db2.gz AEURAMREACIPDF-SJORKVTESA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2c3c(nn2C)CCCC3)c(C(=O)[O-])c1 ZINC001600463635 1350057857 /nfs/dbraw/zinc/05/78/57/1350057857.db2.gz CGZPSOBLGXMJKP-UHFFFAOYSA-N -1 1 349.412 2.106 20 0 EEADMM Cc1cccc(C)c1OCC[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600523236 1350072634 /nfs/dbraw/zinc/07/26/34/1350072634.db2.gz OSLKAKJJSOAEIR-HVEKOLDVSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1[nH]ncc1CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001600674948 1350115013 /nfs/dbraw/zinc/11/50/13/1350115013.db2.gz SEEVINNQQIKECX-UHFFFAOYSA-N -1 1 338.751 2.157 20 0 EEADMM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc2c1OCCNC2 ZINC001600872897 1350157432 /nfs/dbraw/zinc/15/74/32/1350157432.db2.gz UPCWJIPXGZBMFJ-UHFFFAOYSA-N -1 1 332.381 2.489 20 0 EEADMM Cc1sc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2O)c(C(=O)[O-])c1C ZINC001600885694 1350160162 /nfs/dbraw/zinc/16/01/62/1350160162.db2.gz DLLMQPNKWZKJKT-VXGBXAGGSA-N -1 1 340.445 2.237 20 0 EEADMM NC1(c2noc(Cn3cc(C(=O)[O-])c4ccccc43)n2)CCCC1 ZINC001601175743 1350225814 /nfs/dbraw/zinc/22/58/14/1350225814.db2.gz FOMIJZCEYVEKMZ-UHFFFAOYSA-N -1 1 326.356 2.499 20 0 EEADMM O=C([O-])C1(CCCCNC(=O)c2cccc3nc(CO)[nH]c32)CCC1 ZINC001601496991 1350295944 /nfs/dbraw/zinc/29/59/44/1350295944.db2.gz MUCHXITXIMTHQA-UHFFFAOYSA-N -1 1 345.399 2.210 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601693270 1350339569 /nfs/dbraw/zinc/33/95/69/1350339569.db2.gz APQDXEDCXQLTOD-ZYHUDNBSSA-N -1 1 336.779 2.169 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601692731 1350339820 /nfs/dbraw/zinc/33/98/20/1350339820.db2.gz BEGPTIVBLYMIHK-WRWORJQWSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001601770088 1350359959 /nfs/dbraw/zinc/35/99/59/1350359959.db2.gz TWRAGWACFVZZJX-UKRRQHHQSA-N -1 1 346.358 2.280 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001601774071 1350361438 /nfs/dbraw/zinc/36/14/38/1350361438.db2.gz WHDNNVQOMHMMIE-FUHWJXTLSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001601774075 1350361666 /nfs/dbraw/zinc/36/16/66/1350361666.db2.gz WHDNNVQOMHMMIE-SJLPKXTDSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(Cl)c(O)c1 ZINC001601865286 1350384928 /nfs/dbraw/zinc/38/49/28/1350384928.db2.gz KPLHNBFAMPLTGS-AWEZNQCLSA-N -1 1 347.754 2.403 20 0 EEADMM O=C([O-])CN1CCN(C(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC001602062815 1350430453 /nfs/dbraw/zinc/43/04/53/1350430453.db2.gz COSHPPOMWRUMSO-UHFFFAOYSA-N -1 1 344.386 2.140 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC001602509008 1350534314 /nfs/dbraw/zinc/53/43/14/1350534314.db2.gz ALOFVTNYIZCUIZ-AAEUAGOBSA-N -1 1 349.456 2.174 20 0 EEADMM O=C([O-])c1cnc(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)nc1 ZINC001602534999 1350540850 /nfs/dbraw/zinc/54/08/50/1350540850.db2.gz RVSISNYYYYHDSD-UHFFFAOYSA-N -1 1 335.295 2.389 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001602900486 1350602197 /nfs/dbraw/zinc/60/21/97/1350602197.db2.gz GMGLGPSQCMRYAT-BQYQJAHWSA-N -1 1 327.323 2.079 20 0 EEADMM CC(=O)c1[nH]c(CC[N@@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)nc1C ZINC001603126629 1350646495 /nfs/dbraw/zinc/64/64/95/1350646495.db2.gz ORCNZGJWJJJNNW-NSHDSACASA-N -1 1 348.428 2.107 20 0 EEADMM CC(=O)c1[nH]c(CC[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)nc1C ZINC001603126629 1350646500 /nfs/dbraw/zinc/64/65/00/1350646500.db2.gz ORCNZGJWJJJNNW-NSHDSACASA-N -1 1 348.428 2.107 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc([C@@H]3CCCN3)n2)C1 ZINC001603253742 1350672914 /nfs/dbraw/zinc/67/29/14/1350672914.db2.gz SWWJYEDCNHECMX-NEPJUHHUSA-N -1 1 335.404 2.062 20 0 EEADMM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2nc[nH]n2)cc1 ZINC001603538745 1350717105 /nfs/dbraw/zinc/71/71/05/1350717105.db2.gz FZTIIUOUDHARBK-CQSZACIVSA-N -1 1 344.415 2.367 20 0 EEADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)Oc1ccccc1 ZINC001603547300 1350718362 /nfs/dbraw/zinc/71/83/62/1350718362.db2.gz ATQAAALEMZHDQN-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1nccs1 ZINC001603553654 1350719132 /nfs/dbraw/zinc/71/91/32/1350719132.db2.gz WDKVDASACYCHHH-QMMMGPOBSA-N -1 1 328.405 2.206 20 0 EEADMM C[C@@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1nccs1 ZINC001603553654 1350719138 /nfs/dbraw/zinc/71/91/38/1350719138.db2.gz WDKVDASACYCHHH-QMMMGPOBSA-N -1 1 328.405 2.206 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccccc1OC(F)F ZINC001603679464 1350740974 /nfs/dbraw/zinc/74/09/74/1350740974.db2.gz SIFFLYDCLQTZDS-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccccc1OC(F)F ZINC001603679464 1350740977 /nfs/dbraw/zinc/74/09/77/1350740977.db2.gz SIFFLYDCLQTZDS-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC001603753487 1350758254 /nfs/dbraw/zinc/75/82/54/1350758254.db2.gz MVQUGAWQTMWBJQ-OAGGEKHMSA-N -1 1 339.480 2.392 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]1[C@H]1CCCO1 ZINC001603785402 1350767621 /nfs/dbraw/zinc/76/76/21/1350767621.db2.gz WYLZEBNZXVOBGT-OCCSQVGLSA-N -1 1 345.378 2.035 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]1[C@H]1CCCO1 ZINC001603785402 1350767628 /nfs/dbraw/zinc/76/76/28/1350767628.db2.gz WYLZEBNZXVOBGT-OCCSQVGLSA-N -1 1 345.378 2.035 20 0 EEADMM C[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@H]1c1ccccc1 ZINC001603910291 1350800267 /nfs/dbraw/zinc/80/02/67/1350800267.db2.gz HSOIWAOEORNJHU-CZUORRHYSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H]1c1ccccc1 ZINC001603910291 1350800271 /nfs/dbraw/zinc/80/02/71/1350800271.db2.gz HSOIWAOEORNJHU-CZUORRHYSA-N -1 1 336.399 2.069 20 0 EEADMM CC(C)OCc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC001603926156 1350803138 /nfs/dbraw/zinc/80/31/38/1350803138.db2.gz ZIBNVJBHEJAOKH-OAHLLOKOSA-N -1 1 348.443 2.233 20 0 EEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001603974588 1350817720 /nfs/dbraw/zinc/81/77/20/1350817720.db2.gz NOAWGKVCDIQGDG-UHFFFAOYSA-N -1 1 340.343 2.369 20 0 EEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001603974588 1350817721 /nfs/dbraw/zinc/81/77/21/1350817721.db2.gz NOAWGKVCDIQGDG-UHFFFAOYSA-N -1 1 340.343 2.369 20 0 EEADMM CCC[C@H](C)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001604134227 1350869454 /nfs/dbraw/zinc/86/94/54/1350869454.db2.gz DADZCCABEOKTJJ-ZETCQYMHSA-N -1 1 339.197 2.399 20 0 EEADMM CCC[C@H](C)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001604134227 1350869451 /nfs/dbraw/zinc/86/94/51/1350869451.db2.gz DADZCCABEOKTJJ-ZETCQYMHSA-N -1 1 339.197 2.399 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001604156142 1350878063 /nfs/dbraw/zinc/87/80/63/1350878063.db2.gz QSNGOOSHYIFRRT-CHWSQXEVSA-N -1 1 346.435 2.428 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001604156142 1350878068 /nfs/dbraw/zinc/87/80/68/1350878068.db2.gz QSNGOOSHYIFRRT-CHWSQXEVSA-N -1 1 346.435 2.428 20 0 EEADMM CCCC[C@@H](CCC)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604163117 1350880770 /nfs/dbraw/zinc/88/07/70/1350880770.db2.gz JQLKQYWWENBRJO-LLVKDONJSA-N -1 1 332.408 2.364 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001604234233 1350899779 /nfs/dbraw/zinc/89/97/79/1350899779.db2.gz MXOBPSRFGYQVHM-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001604234233 1350899782 /nfs/dbraw/zinc/89/97/82/1350899782.db2.gz MXOBPSRFGYQVHM-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM C[C@@H](NC(=O)c1ccc(F)cc1O)c1ccc(OCC(=O)[O-])cc1 ZINC001604312031 1350913230 /nfs/dbraw/zinc/91/32/30/1350913230.db2.gz SLJLRNSVBSIIFH-SNVBAGLBSA-N -1 1 333.315 2.486 20 0 EEADMM CCO[C@@H](CCNc1cc(-c2nnn[n-]2)nc(C)n1)C1CCCC1 ZINC001604405178 1350930522 /nfs/dbraw/zinc/93/05/22/1350930522.db2.gz VUZILPAETXDPNA-AWEZNQCLSA-N -1 1 331.424 2.362 20 0 EEADMM CCO[C@@H](CCNc1cc(-c2nn[n-]n2)nc(C)n1)C1CCCC1 ZINC001604405178 1350930524 /nfs/dbraw/zinc/93/05/24/1350930524.db2.gz VUZILPAETXDPNA-AWEZNQCLSA-N -1 1 331.424 2.362 20 0 EEADMM CCOc1ccc2c(c1)[C@H](Nc1ccnc(-c3nnn[n-]3)c1)CCO2 ZINC001604463512 1350943101 /nfs/dbraw/zinc/94/31/01/1350943101.db2.gz YPBNSYORWSLIMM-CQSZACIVSA-N -1 1 338.371 2.018 20 0 EEADMM CCOc1ccc2c(c1)[C@H](Nc1ccnc(-c3nn[n-]n3)c1)CCO2 ZINC001604463512 1350943105 /nfs/dbraw/zinc/94/31/05/1350943105.db2.gz YPBNSYORWSLIMM-CQSZACIVSA-N -1 1 338.371 2.018 20 0 EEADMM CCSCc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001604480515 1350946564 /nfs/dbraw/zinc/94/65/64/1350946564.db2.gz DZVUTWMIFDYDTN-UHFFFAOYSA-N -1 1 343.416 2.404 20 0 EEADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001604691952 1350986043 /nfs/dbraw/zinc/98/60/43/1350986043.db2.gz RXLJBAYQUUIQPL-WZRBSPASSA-N -1 1 337.445 2.362 20 0 EEADMM COC(=O)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1Cl ZINC001604968289 1351041594 /nfs/dbraw/zinc/04/15/94/1351041594.db2.gz UKPXCAWYPBSVBG-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1Cl ZINC001604968289 1351041597 /nfs/dbraw/zinc/04/15/97/1351041597.db2.gz UKPXCAWYPBSVBG-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM CO[C@@H](CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001605008110 1351052073 /nfs/dbraw/zinc/05/20/73/1351052073.db2.gz FUHIIZRTQIOKSV-JTQLQIEISA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@@H](CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001605008110 1351052078 /nfs/dbraw/zinc/05/20/78/1351052078.db2.gz FUHIIZRTQIOKSV-JTQLQIEISA-N -1 1 328.298 2.117 20 0 EEADMM COc1c(C)cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)cc1C ZINC001605155336 1351090339 /nfs/dbraw/zinc/09/03/39/1351090339.db2.gz KADOFUWHZPBKOP-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1c(C)cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)cc1C ZINC001605155336 1351090341 /nfs/dbraw/zinc/09/03/41/1351090341.db2.gz KADOFUWHZPBKOP-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1ccc2cc(CNc3ncncc3-c3nn[n-]n3)ccc2c1 ZINC001605311361 1351132347 /nfs/dbraw/zinc/13/23/47/1351132347.db2.gz JPHPXFPSYBFNTM-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CCCOc1cccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001605343972 1351141657 /nfs/dbraw/zinc/14/16/57/1351141657.db2.gz VCOHYXHVRQDKCZ-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM COc1ncc(NC(=O)CCc2ccc(C)s2)cc1-c1nn[n-]n1 ZINC001605346609 1351141744 /nfs/dbraw/zinc/14/17/44/1351141744.db2.gz BQSNWBLHLMKBCR-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM CS[C@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001605369473 1351145823 /nfs/dbraw/zinc/14/58/23/1351145823.db2.gz RNMORTRIXCGDBE-SNVBAGLBSA-N -1 1 335.437 2.161 20 0 EEADMM CS[C@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001605369473 1351145826 /nfs/dbraw/zinc/14/58/26/1351145826.db2.gz RNMORTRIXCGDBE-SNVBAGLBSA-N -1 1 335.437 2.161 20 0 EEADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001605440020 1351158421 /nfs/dbraw/zinc/15/84/21/1351158421.db2.gz FQXDRGPGQFAOTD-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001605440020 1351158422 /nfs/dbraw/zinc/15/84/22/1351158422.db2.gz FQXDRGPGQFAOTD-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC001605442833 1351158750 /nfs/dbraw/zinc/15/87/50/1351158750.db2.gz IIAVYPKMDWDTRM-UHFFFAOYSA-N -1 1 344.795 2.092 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc(C(F)F)cc1 ZINC001605510836 1351174466 /nfs/dbraw/zinc/17/44/66/1351174466.db2.gz JVKDIDUAXSQILH-UHFFFAOYSA-N -1 1 346.297 2.466 20 0 EEADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001605537765 1351184391 /nfs/dbraw/zinc/18/43/91/1351184391.db2.gz LZYXNDNBSZNCAK-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM CCOC(=O)c1oc2ccccc2c1CN[C@](C)(COC)C(=O)[O-] ZINC001605584677 1351194338 /nfs/dbraw/zinc/19/43/38/1351194338.db2.gz RTZUMVPGHYRMBU-QGZVFWFLSA-N -1 1 335.356 2.189 20 0 EEADMM CCOC(=O)c1ncc(CNCc2ccccc2CC(=O)[O-])s1 ZINC001605582985 1351194397 /nfs/dbraw/zinc/19/43/97/1351194397.db2.gz TUTVOVWEEFNPFC-UHFFFAOYSA-N -1 1 334.397 2.237 20 0 EEADMM CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC001605731607 1351219292 /nfs/dbraw/zinc/21/92/92/1351219292.db2.gz OGEDLXWMBBRKEO-BLLLJJGKSA-N -1 1 348.424 2.352 20 0 EEADMM Cc1ccc([C@H](C)CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605830424 1351230851 /nfs/dbraw/zinc/23/08/51/1351230851.db2.gz UPJHZNJFOQAJGG-GFCCVEGCSA-N -1 1 337.387 2.495 20 0 EEADMM Cc1ccc([C@H](C)CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605830424 1351230857 /nfs/dbraw/zinc/23/08/57/1351230857.db2.gz UPJHZNJFOQAJGG-GFCCVEGCSA-N -1 1 337.387 2.495 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1-c1nnn[n-]1 ZINC001605866893 1351241093 /nfs/dbraw/zinc/24/10/93/1351241093.db2.gz DGKNPUXIOQUXAU-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1-c1nn[n-]n1 ZINC001605866893 1351241100 /nfs/dbraw/zinc/24/11/00/1351241100.db2.gz DGKNPUXIOQUXAU-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1nccc(-c2cccc(NC(=O)c3coc(-c4nnn[n-]4)c3)c2)n1 ZINC001606092663 1351269173 /nfs/dbraw/zinc/26/91/73/1351269173.db2.gz BBJGMYQDPSGRDX-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1nccc(-c2cccc(NC(=O)c3coc(-c4nn[n-]n4)c3)c2)n1 ZINC001606092663 1351269178 /nfs/dbraw/zinc/26/91/78/1351269178.db2.gz BBJGMYQDPSGRDX-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001606155013 1351278894 /nfs/dbraw/zinc/27/88/94/1351278894.db2.gz PZPKHKOCQZXMJX-UHFFFAOYSA-N -1 1 334.763 2.306 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)COc1ccccc1 ZINC001606168947 1351280435 /nfs/dbraw/zinc/28/04/35/1351280435.db2.gz CAIGEYBGLBUFNJ-SNVBAGLBSA-N -1 1 328.328 2.392 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)COc1ccccc1 ZINC001606168947 1351280438 /nfs/dbraw/zinc/28/04/38/1351280438.db2.gz CAIGEYBGLBUFNJ-SNVBAGLBSA-N -1 1 328.328 2.392 20 0 EEADMM Cc1onc(Cc2nnc(-c3cccc(Cl)c3)o2)c1-c1nnn[n-]1 ZINC001606180758 1351282212 /nfs/dbraw/zinc/28/22/12/1351282212.db2.gz XDJAYPUYZYMRPR-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM Cc1onc(Cc2nnc(-c3cccc(Cl)c3)o2)c1-c1nn[n-]n1 ZINC001606180758 1351282215 /nfs/dbraw/zinc/28/22/15/1351282215.db2.gz XDJAYPUYZYMRPR-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM CNC(=O)c1cccc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001606291075 1351289242 /nfs/dbraw/zinc/28/92/42/1351289242.db2.gz OIUONAYPSJFABN-KRWDZBQOSA-N -1 1 340.379 2.067 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC2(CCC2)c2ccccc21 ZINC001606595416 1351329519 /nfs/dbraw/zinc/32/95/19/1351329519.db2.gz WCXNUIOCWLWKDI-UHFFFAOYSA-N -1 1 346.394 2.273 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC2(CCC2)c2ccccc21 ZINC001606595416 1351329524 /nfs/dbraw/zinc/32/95/24/1351329524.db2.gz WCXNUIOCWLWKDI-UHFFFAOYSA-N -1 1 346.394 2.273 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606794456 1351357605 /nfs/dbraw/zinc/35/76/05/1351357605.db2.gz JXQVTJGKGRNJFS-UHFFFAOYSA-N -1 1 348.370 2.107 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606794456 1351357606 /nfs/dbraw/zinc/35/76/06/1351357606.db2.gz JXQVTJGKGRNJFS-UHFFFAOYSA-N -1 1 348.370 2.107 20 0 EEADMM O=C(Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606892986 1351370635 /nfs/dbraw/zinc/37/06/35/1351370635.db2.gz CSRNSZSZYSKPGV-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM O=C(Nc1c(F)cc(Cl)cc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606892986 1351370638 /nfs/dbraw/zinc/37/06/38/1351370638.db2.gz CSRNSZSZYSKPGV-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM COCc1cc(NC(=O)c2cc(C(F)F)n[nH]2)cc(C(=O)[O-])c1 ZINC001606949028 1351382376 /nfs/dbraw/zinc/38/23/76/1351382376.db2.gz UECFOTFNSBQZNM-UHFFFAOYSA-N -1 1 325.271 2.444 20 0 EEADMM O=C(Nc1n[nH]cc1C1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606950575 1351382879 /nfs/dbraw/zinc/38/28/79/1351382879.db2.gz KAEODWWYNQKONP-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC(F)(F)CC1 ZINC001606949502 1351383176 /nfs/dbraw/zinc/38/31/76/1351383176.db2.gz DGXROBAWRCJPJI-UHFFFAOYSA-N -1 1 349.754 2.240 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCSC[C@H]1c1ccccc1 ZINC001607016626 1351398261 /nfs/dbraw/zinc/39/82/61/1351398261.db2.gz BEEJNJVNGDZGSO-LBPRGKRZSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCSC[C@H]1c1ccccc1 ZINC001607016626 1351398262 /nfs/dbraw/zinc/39/82/62/1351398262.db2.gz BEEJNJVNGDZGSO-LBPRGKRZSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCc2cc(F)c(F)cc21 ZINC001607022084 1351399841 /nfs/dbraw/zinc/39/98/41/1351399841.db2.gz LREFDOMNZILMGU-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2cc(F)c(F)cc21 ZINC001607022084 1351399842 /nfs/dbraw/zinc/39/98/42/1351399842.db2.gz LREFDOMNZILMGU-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM COc1c(NC(=O)c2cccc3nc(CO)[nH]c32)cccc1C(=O)[O-] ZINC001607035306 1351402344 /nfs/dbraw/zinc/40/23/44/1351402344.db2.gz SPZZFTLUJOQDRN-UHFFFAOYSA-N -1 1 341.323 2.014 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1CCCCc1cccc(Cl)c1 ZINC001607089810 1351413096 /nfs/dbraw/zinc/41/30/96/1351413096.db2.gz CBBKFMHFHJMSCK-UHFFFAOYSA-N -1 1 330.779 2.100 20 0 EEADMM c1cc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)cc(-c2nnn[n-]2)n1 ZINC001607114286 1351424011 /nfs/dbraw/zinc/42/40/11/1351424011.db2.gz ZBJODSXAXKQRGO-LLVKDONJSA-N -1 1 339.359 2.128 20 0 EEADMM c1cc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)cc(-c2nn[n-]n2)n1 ZINC001607114286 1351424014 /nfs/dbraw/zinc/42/40/14/1351424014.db2.gz ZBJODSXAXKQRGO-LLVKDONJSA-N -1 1 339.359 2.128 20 0 EEADMM COc1cc(NC(=O)c2cccc(-c3nnc[nH]3)c2)ccc1C(=O)[O-] ZINC001607179538 1351444319 /nfs/dbraw/zinc/44/43/19/1351444319.db2.gz UUJYJCCBILSYBR-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN[C@H](C(=O)N1CCCC1)C(C)C ZINC001607216912 1351450793 /nfs/dbraw/zinc/45/07/93/1351450793.db2.gz HKZHQMHDBVCXCD-INIZCTEOSA-N -1 1 334.416 2.130 20 0 EEADMM COc1cccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001607325512 1351473953 /nfs/dbraw/zinc/47/39/53/1351473953.db2.gz BXIAFXPAWJGDKI-SFHVURJKSA-N -1 1 343.383 2.008 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC001607637139 1351530665 /nfs/dbraw/zinc/53/06/65/1351530665.db2.gz AYJIPKHTBLVJRB-NSHDSACASA-N -1 1 346.387 2.324 20 0 EEADMM Cc1ccc2nc(CNC(=O)NC[C@H](CC(=O)[O-])C3CC3)[nH]c2c1 ZINC001607828479 1351566858 /nfs/dbraw/zinc/56/68/58/1351566858.db2.gz MWWPLWDLXNLBPQ-LBPRGKRZSA-N -1 1 330.388 2.171 20 0 EEADMM Cc1ccc2c(cnn2CN2CCS[C@@H]3COCC[C@@H]32)c1C(=O)[O-] ZINC001607834228 1351567952 /nfs/dbraw/zinc/56/79/52/1351567952.db2.gz UAQKNDDZPVDUBA-LSDHHAIUSA-N -1 1 347.440 2.207 20 0 EEADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001607866412 1351574626 /nfs/dbraw/zinc/57/46/26/1351574626.db2.gz RDHXDZZFEBNEJE-LSDHHAIUSA-N -1 1 330.428 2.205 20 0 EEADMM Cc1ccccc1C[C@H](C)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001607879697 1351577601 /nfs/dbraw/zinc/57/76/01/1351577601.db2.gz DUGHXMOJXWPJSW-RDJZCZTQSA-N -1 1 334.460 2.473 20 0 EEADMM Cc1nsc(N2CCCN(Cc3csc(C(=O)[O-])c3)CC2)n1 ZINC001608030713 1351609972 /nfs/dbraw/zinc/60/99/72/1351609972.db2.gz XDIAWERTHKHPHC-UHFFFAOYSA-N -1 1 338.458 2.319 20 0 EEADMM Cc1cc2nnc(SCC(=O)c3ccc([O-])cc3O)n2c(C)n1 ZINC000033034358 1352383688 /nfs/dbraw/zinc/38/36/88/1352383688.db2.gz YRQXYTLCOFUTGB-UHFFFAOYSA-N -1 1 330.369 2.127 20 0 EEADMM Cn1nnc2cc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)ccc21 ZINC001627397026 1352494511 /nfs/dbraw/zinc/49/45/11/1352494511.db2.gz ODWOGMXWJXQKJC-UHFFFAOYSA-N -1 1 346.350 2.175 20 0 EEADMM Cc1nocc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001628176929 1352524395 /nfs/dbraw/zinc/52/43/95/1352524395.db2.gz YREPPKYUODWXRH-UHFFFAOYSA-N -1 1 325.328 2.030 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ncoc1-c1ccccc1 ZINC001642558531 1352733962 /nfs/dbraw/zinc/73/39/62/1352733962.db2.gz WJMUICOWXNVPSE-AWEZNQCLSA-N -1 1 346.350 2.374 20 0 EEADMM C[C@@H](C(=O)[O-])C1(NCc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC001647248606 1353206247 /nfs/dbraw/zinc/20/62/47/1353206247.db2.gz KJGICOATXJIKOT-VIFPVBQESA-N -1 1 338.770 2.403 20 0 EEADMM C[C@@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnn(C)c1 ZINC001648013962 1353413538 /nfs/dbraw/zinc/41/35/38/1353413538.db2.gz GVRPIJXSXWORRB-LBPRGKRZSA-N -1 1 325.372 2.444 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc([S@@](C)=O)cc1)C1CCCC1 ZINC001649872683 1353632550 /nfs/dbraw/zinc/63/25/50/1353632550.db2.gz XFYDOYDNPNNQAR-QVKFZJNVSA-N -1 1 345.486 2.371 20 0 EEADMM CN1CCN(c2ccc(NC(=O)c3cc(F)cc(F)c3[O-])cn2)CC1 ZINC001650050358 1353700816 /nfs/dbraw/zinc/70/08/16/1353700816.db2.gz UNBJJWIUQNEXCS-UHFFFAOYSA-N -1 1 348.353 2.070 20 0 EEADMM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1c[nH]nc1Cl ZINC001660086240 1354394589 /nfs/dbraw/zinc/39/45/89/1354394589.db2.gz BVAJCXHHYVEQBS-UHFFFAOYSA-N -1 1 338.776 2.197 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N[C@H](CCO)c1ccco1 ZINC001672126617 1356465952 /nfs/dbraw/zinc/46/59/52/1356465952.db2.gz PRWDECVNNXVMHN-CQSZACIVSA-N -1 1 342.355 2.416 20 0 EEADMM CCCCC(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001388902272 1387792262 /nfs/dbraw/zinc/79/22/62/1387792262.db2.gz TXTSKAZIBNVPMH-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM O=C(Nc1cc(Cl)nc2ccnn21)c1ncc(C(F)(F)F)[n-]1 ZINC001188280721 1368293998 /nfs/dbraw/zinc/29/39/98/1368293998.db2.gz JYGRIVXWYCWDRE-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM O=C(Nc1cc(Cl)nc2ccnn21)c1nc(C(F)(F)F)c[n-]1 ZINC001188280721 1368294005 /nfs/dbraw/zinc/29/40/05/1368294005.db2.gz JYGRIVXWYCWDRE-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM NC(=O)c1cccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1F ZINC001189469377 1368357867 /nfs/dbraw/zinc/35/78/67/1368357867.db2.gz LDTCMWNVNIVHOJ-UHFFFAOYSA-N -1 1 344.314 2.145 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc(F)cc1N1CCOCC1 ZINC001195492158 1368543622 /nfs/dbraw/zinc/54/36/22/1368543622.db2.gz DAHDEIKNLOYFCJ-UHFFFAOYSA-N -1 1 327.381 2.105 20 0 EEADMM C[C@H](CNC(=O)c1ccc(Cl)s1)NC(=O)c1ncccc1[O-] ZINC001389168919 1387949639 /nfs/dbraw/zinc/94/96/39/1387949639.db2.gz AURWHYAVGLQNRC-MRVPVSSYSA-N -1 1 339.804 2.050 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1nc[nH]c1Br)[C@@H]1CC1(C)C ZINC000867414859 1368864503 /nfs/dbraw/zinc/86/45/03/1368864503.db2.gz DHPWGYSNVDKZCP-JGVFFNPUSA-N -1 1 336.255 2.275 20 0 EEADMM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CCCN1CC1CCCC1 ZINC001202190267 1368890158 /nfs/dbraw/zinc/89/01/58/1368890158.db2.gz MTHFUGVMJSOSDV-ZDUSSCGKSA-N -1 1 342.486 2.208 20 0 EEADMM CC[C@@H](C)CONC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852353175 1369264126 /nfs/dbraw/zinc/26/41/26/1369264126.db2.gz COGFGACADCNOGJ-MXWKQRLJSA-N -1 1 339.358 2.063 20 0 EEADMM O=C(CN1CC[C@@H](Oc2ccccc2)C1)[N-]OCc1ccccc1 ZINC000852681513 1369293973 /nfs/dbraw/zinc/29/39/73/1369293973.db2.gz RTNVNQRQZXURFW-GOSISDBHSA-N -1 1 326.396 2.388 20 0 EEADMM O=C(NCCN1C[C@H]2CCCCN2C1=O)c1c([O-])cccc1Cl ZINC000856142172 1369409567 /nfs/dbraw/zinc/40/95/67/1369409567.db2.gz BVWIGJVCDHDEMV-LLVKDONJSA-N -1 1 337.807 2.066 20 0 EEADMM CCCC[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648211 1370348193 /nfs/dbraw/zinc/34/81/93/1370348193.db2.gz AIJDFWHQXYQGDA-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001074902226 1370957980 /nfs/dbraw/zinc/95/79/80/1370957980.db2.gz JZKFBZHSPYVQAN-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccco1 ZINC000780479145 1371162453 /nfs/dbraw/zinc/16/24/53/1371162453.db2.gz GXHFKWBNIXQRBL-UONOGXRCSA-N -1 1 337.420 2.311 20 0 EEADMM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001389443398 1388124152 /nfs/dbraw/zinc/12/41/52/1388124152.db2.gz JBPVABWDMLBXSM-VHSXEESVSA-N -1 1 347.337 2.000 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3C[C@@]3(CO)C2)c([O-])c1 ZINC000783819657 1371367430 /nfs/dbraw/zinc/36/74/30/1371367430.db2.gz SCQBEQMGMFPFDY-ZMZPIMSZSA-N -1 1 348.399 2.194 20 0 EEADMM Cc1c(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)ccn1C(C)C ZINC000831125295 1372365604 /nfs/dbraw/zinc/36/56/04/1372365604.db2.gz JWFZSKVGVAYXCY-UHFFFAOYSA-N -1 1 331.338 2.128 20 0 EEADMM Cc1[nH]c(CN2CCC(Oc3cnccn3)CC2)c(C)c1C(=O)[O-] ZINC001140496483 1372587323 /nfs/dbraw/zinc/58/73/23/1372587323.db2.gz ISCPJPJQYNADTG-UHFFFAOYSA-N -1 1 330.388 2.163 20 0 EEADMM COc1cc(O[C@H]2CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)C2)ccn1 ZINC001140499624 1372588030 /nfs/dbraw/zinc/58/80/30/1372588030.db2.gz SNDYMXXOJJVFOP-AWEZNQCLSA-N -1 1 345.399 2.387 20 0 EEADMM Cc1cc(C)nc(N2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)n1 ZINC001140990253 1372731073 /nfs/dbraw/zinc/73/10/73/1372731073.db2.gz RVAGCLIXACYPOK-UHFFFAOYSA-N -1 1 334.370 2.399 20 0 EEADMM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000837180721 1372772323 /nfs/dbraw/zinc/77/23/23/1372772323.db2.gz KSCRMXDACQYXPN-GWCFXTLKSA-N -1 1 335.791 2.429 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(CO)c2)ccc1F ZINC001200559039 1373050640 /nfs/dbraw/zinc/05/06/40/1373050640.db2.gz JAGPNEFBFWHHEE-UHFFFAOYSA-N -1 1 325.361 2.436 20 0 EEADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc([O-])cn1 ZINC001361756363 1373333556 /nfs/dbraw/zinc/33/35/56/1373333556.db2.gz CKKCWICTWSIVTF-UHFFFAOYSA-N -1 1 331.397 2.220 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ncc(Cl)s1 ZINC001368939749 1374473000 /nfs/dbraw/zinc/47/30/00/1374473000.db2.gz ISROZTRIZRGXFZ-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM O=C(CCC1CCC1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001371716056 1375603336 /nfs/dbraw/zinc/60/33/36/1375603336.db2.gz FYYGHECGWOAAHE-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM CCN(C(=O)CCC1CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001390082351 1388432834 /nfs/dbraw/zinc/43/28/34/1388432834.db2.gz DRESSYXKSSGDJV-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)(C)CCCC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001374824241 1377096347 /nfs/dbraw/zinc/09/63/47/1377096347.db2.gz LVHIBEJDJOVTEK-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CNCc2cccc(Cl)c2F)c1[O-] ZINC001374874663 1377141654 /nfs/dbraw/zinc/14/16/54/1377141654.db2.gz AMDPWUGKMPDNDS-QMMMGPOBSA-N -1 1 340.786 2.124 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC001390174408 1388485263 /nfs/dbraw/zinc/48/52/63/1388485263.db2.gz KXNYPNFORUCEPD-ZIAGYGMSSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C1CCCC1 ZINC001375059499 1377327084 /nfs/dbraw/zinc/32/70/84/1377327084.db2.gz LMKJSRASIJTDKD-JSGCOSHPSA-N -1 1 333.432 2.238 20 0 EEADMM C=Cc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2ncccc2[O-])cc1 ZINC001375062127 1377330747 /nfs/dbraw/zinc/33/07/47/1377330747.db2.gz WLJMPFDNPZKLNK-HNNXBMFYSA-N -1 1 339.395 2.369 20 0 EEADMM CC(C)c1occc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001377736048 1379482519 /nfs/dbraw/zinc/48/25/19/1379482519.db2.gz BQCNRJZQJTYFOY-NSHDSACASA-N -1 1 331.372 2.052 20 0 EEADMM CCCCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001378100862 1379712946 /nfs/dbraw/zinc/71/29/46/1379712946.db2.gz ZJRVGJKORAVARN-KGLIPLIRSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1nc(CNC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)oc1C ZINC001382512440 1382108035 /nfs/dbraw/zinc/10/80/35/1382108035.db2.gz BHKUTGZFJFKQJX-CQSZACIVSA-N -1 1 346.431 2.326 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cc1C ZINC001382543997 1382130981 /nfs/dbraw/zinc/13/09/81/1382130981.db2.gz UHZIRXQVBHYQLW-CQSZACIVSA-N -1 1 345.447 2.061 20 0 EEADMM CCC(CC)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001384075161 1382782905 /nfs/dbraw/zinc/78/29/05/1382782905.db2.gz XTGSTQVYWOVNPD-GJZGRUSLSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386453935 1386144984 /nfs/dbraw/zinc/14/49/84/1386144984.db2.gz MEPLUTNDMZKECV-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386612113 1386217718 /nfs/dbraw/zinc/21/77/18/1386217718.db2.gz XGHPQVUDMBHUCF-ZIAGYGMSSA-N -1 1 333.432 2.286 20 0 EEADMM CCCN(CCNC(=O)[C@H](C)c1ccco1)C(=O)c1ncccc1[O-] ZINC001387457839 1386749877 /nfs/dbraw/zinc/74/98/77/1386749877.db2.gz ZKYLFVWZOVKXKN-CYBMUJFWSA-N -1 1 345.399 2.152 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001387563042 1386845249 /nfs/dbraw/zinc/84/52/49/1386845249.db2.gz RBJDIPRQZLYILM-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccoc1C(C)C ZINC001392162562 1389853693 /nfs/dbraw/zinc/85/36/93/1389853693.db2.gz NLXRBWZGXVXUCR-GFCCVEGCSA-N -1 1 349.435 2.161 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ccc[nH]1)NC(=O)c1ncccc1[O-] ZINC001395214626 1390801488 /nfs/dbraw/zinc/80/14/88/1390801488.db2.gz IKLYBXIWKFCHLO-ZDUSSCGKSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])s1 ZINC001395561354 1390838404 /nfs/dbraw/zinc/83/84/04/1390838404.db2.gz PGHLNDUXXCEMPZ-LLVKDONJSA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)C1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001396128411 1390909016 /nfs/dbraw/zinc/90/90/16/1390909016.db2.gz ALCYOVJTDPBAGI-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1(F)CCCCC1 ZINC001396509939 1390950014 /nfs/dbraw/zinc/95/00/14/1390950014.db2.gz ZBIIDAPCDFUPQP-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM O=C(CC1CCCCC1)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001396964547 1390996598 /nfs/dbraw/zinc/99/65/98/1390996598.db2.gz DIWUPHMAVMEBDG-OAHLLOKOSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1)C1CCCC1 ZINC001398315503 1392167548 /nfs/dbraw/zinc/16/75/48/1392167548.db2.gz ZRCLYCLCWMJPFZ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398474376 1392936659 /nfs/dbraw/zinc/93/66/59/1392936659.db2.gz ARWNUTOXHUMMJU-CYBMUJFWSA-N -1 1 333.432 2.144 20 0 EEADMM CCC(CC)CC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001399285414 1394932270 /nfs/dbraw/zinc/93/22/70/1394932270.db2.gz XIBLPBKOVMIDKE-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM CCC1(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])CCCC1 ZINC001425045697 1401409527 /nfs/dbraw/zinc/40/95/27/1401409527.db2.gz SOUFDQHMKVCSGQ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001426951071 1402270093 /nfs/dbraw/zinc/27/00/93/1402270093.db2.gz BCVAAOTUBGMSCV-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCC[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001433712227 1403425286 /nfs/dbraw/zinc/42/52/86/1403425286.db2.gz KLSKJAIVKXVAMZ-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCCC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001577399435 1403645949 /nfs/dbraw/zinc/64/59/49/1403645949.db2.gz PJTAOHMPQITZFC-KOLCDFICSA-N -1 1 349.464 2.223 20 0 EEADMM CCCCN(CCCC)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577512936 1403660827 /nfs/dbraw/zinc/66/08/27/1403660827.db2.gz USNDKWVPTTUNRQ-UHFFFAOYSA-N -1 1 332.408 2.318 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1C ZINC001578397931 1403747389 /nfs/dbraw/zinc/74/73/89/1403747389.db2.gz DYAOFPVYYVXNSI-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1C ZINC001578397931 1403747394 /nfs/dbraw/zinc/74/73/94/1403747394.db2.gz DYAOFPVYYVXNSI-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COc1ncc(NC(=O)[C@H](C)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001580138713 1403832673 /nfs/dbraw/zinc/83/26/73/1403832673.db2.gz OTOVPMTZHYJINB-LLVKDONJSA-N -1 1 338.371 2.088 20 0 EEADMM CCOC(=O)[C@H](CCC(C)(C)C)NCc1cccc(-c2nnn[n-]2)n1 ZINC001590753212 1403895121 /nfs/dbraw/zinc/89/51/21/1403895121.db2.gz SJJGTTLGKSQNOU-AWEZNQCLSA-N -1 1 346.435 2.109 20 0 EEADMM CCOC(=O)[C@H](CCC(C)(C)C)NCc1cccc(-c2nn[n-]n2)n1 ZINC001590753212 1403895131 /nfs/dbraw/zinc/89/51/31/1403895131.db2.gz SJJGTTLGKSQNOU-AWEZNQCLSA-N -1 1 346.435 2.109 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC001591889579 1403969276 /nfs/dbraw/zinc/96/92/76/1403969276.db2.gz SXRXUVJTQMDUHG-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC001591889579 1403969285 /nfs/dbraw/zinc/96/92/85/1403969285.db2.gz SXRXUVJTQMDUHG-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC001591889664 1403969417 /nfs/dbraw/zinc/96/94/17/1403969417.db2.gz YBZTYBPOQRPMEY-ZIAGYGMSSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC001591889664 1403969419 /nfs/dbraw/zinc/96/94/19/1403969419.db2.gz YBZTYBPOQRPMEY-ZIAGYGMSSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCCOCc2ccccc2)n1 ZINC001591897719 1403970830 /nfs/dbraw/zinc/97/08/30/1403970830.db2.gz ICXAJKFQIMCKCI-UHFFFAOYSA-N -1 1 339.403 2.374 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCCOCc2ccccc2)n1 ZINC001591897719 1403970836 /nfs/dbraw/zinc/97/08/36/1403970836.db2.gz ICXAJKFQIMCKCI-UHFFFAOYSA-N -1 1 339.403 2.374 20 0 EEADMM Cc1nc(NCCCCN(C)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592390492 1404025902 /nfs/dbraw/zinc/02/59/02/1404025902.db2.gz RUASHJZOFWMACO-UHFFFAOYSA-N -1 1 338.419 2.294 20 0 EEADMM Cc1nc(NCCCCN(C)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592390492 1404025912 /nfs/dbraw/zinc/02/59/12/1404025912.db2.gz RUASHJZOFWMACO-UHFFFAOYSA-N -1 1 338.419 2.294 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(OCC(C)C)cc2)c1-c1nn[n-]n1 ZINC001606014623 1404754715 /nfs/dbraw/zinc/75/47/15/1404754715.db2.gz MEUKYDTWMWHQNP-UHFFFAOYSA-N -1 1 341.375 2.185 20 0 EEADMM CN(C)Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001606033807 1404758250 /nfs/dbraw/zinc/75/82/50/1404758250.db2.gz LZYJUABVSIXNFQ-UHFFFAOYSA-N -1 1 331.347 2.162 20 0 EEADMM CN(CCc1nccc(C(F)(F)F)n1)Cc1cccc(C(=O)[O-])n1 ZINC001606140921 1404766507 /nfs/dbraw/zinc/76/65/07/1404766507.db2.gz DLOHXPOEUNPAHM-UHFFFAOYSA-N -1 1 340.305 2.263 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])c2cccnc12)[C@@H]1CCCCNC1=O ZINC001606149959 1404769407 /nfs/dbraw/zinc/76/94/07/1404769407.db2.gz IVTQQVXTVVIXHL-OAHLLOKOSA-N -1 1 327.384 2.034 20 0 EEADMM Cc1sc(Cl)nc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606183001 1404774273 /nfs/dbraw/zinc/77/42/73/1404774273.db2.gz JVGNQBHZWFBLKC-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM Cc1sc(Cl)nc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606183001 1404774276 /nfs/dbraw/zinc/77/42/76/1404774276.db2.gz JVGNQBHZWFBLKC-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001606301204 1404782548 /nfs/dbraw/zinc/78/25/48/1404782548.db2.gz PXQCRBPKSHPCJT-LLVKDONJSA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001606301204 1404782555 /nfs/dbraw/zinc/78/25/55/1404782555.db2.gz PXQCRBPKSHPCJT-LLVKDONJSA-N -1 1 331.286 2.187 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606332127 1404795213 /nfs/dbraw/zinc/79/52/13/1404795213.db2.gz HZBYFYAMPWNUFO-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606332127 1404795222 /nfs/dbraw/zinc/79/52/22/1404795222.db2.gz HZBYFYAMPWNUFO-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM CCC[C@@H](N[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000185048713 1406054094 /nfs/dbraw/zinc/05/40/94/1406054094.db2.gz VDUQATMMKSUGCI-DGCLKSJQSA-N -1 1 349.456 2.486 20 0 EEADMM CC(C)=CC(=O)N[C@H](C)[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001755949760 1408022530 /nfs/dbraw/zinc/02/25/30/1408022530.db2.gz OBFVGDVWVKKKPU-VXGBXAGGSA-N -1 1 348.447 2.203 20 0 EEADMM CCC1CCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)CC1 ZINC001772173877 1410077149 /nfs/dbraw/zinc/07/71/49/1410077149.db2.gz WSYNWRLBWPKLOK-UHFFFAOYSA-N -1 1 328.420 2.482 20 0 EEADMM Cc1c[nH]c([C@]2(NC(=O)Cc3ccc([O-])c(Cl)c3)CCOC2)n1 ZINC000869008475 1410353278 /nfs/dbraw/zinc/35/32/78/1410353278.db2.gz IPCWLVATFLTMSJ-INIZCTEOSA-N -1 1 335.791 2.052 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)N[N-]C(=O)c2ccc(F)cn2)c1C ZINC000183949391 782237720 /nfs/dbraw/zinc/23/77/20/782237720.db2.gz UHILGAXJGPYCGZ-GFCCVEGCSA-N -1 1 331.347 2.066 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2(F)CCCC2)n[n-]1 ZINC000846642236 790303134 /nfs/dbraw/zinc/30/31/34/790303134.db2.gz HTENAENTFNJWBD-LLVKDONJSA-N -1 1 340.399 2.467 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2(F)CCCC2)[n-]1 ZINC000846642236 790303139 /nfs/dbraw/zinc/30/31/39/790303139.db2.gz HTENAENTFNJWBD-LLVKDONJSA-N -1 1 340.399 2.467 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2(F)CCCC2)n1 ZINC000846642236 790303145 /nfs/dbraw/zinc/30/31/45/790303145.db2.gz HTENAENTFNJWBD-LLVKDONJSA-N -1 1 340.399 2.467 20 0 EEADMM CCc1nsc(NC2(CNC(=O)c3ncccc3[O-])CCCC2)n1 ZINC001104382194 760008073 /nfs/dbraw/zinc/00/80/73/760008073.db2.gz CEZYLYOQGDCAEB-UHFFFAOYSA-N -1 1 347.444 2.356 20 0 EEADMM Cc1n[nH]c(C(=O)NCCNCc2cccc(Cl)c2Cl)c1[O-] ZINC001125734258 761197367 /nfs/dbraw/zinc/19/73/67/761197367.db2.gz MDKSUEPBOBVHQE-UHFFFAOYSA-N -1 1 343.214 2.250 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C/C=C\Cl ZINC001087351932 761790240 /nfs/dbraw/zinc/79/02/40/761790240.db2.gz BHOJHHIOWOWMLX-USYQFFKYSA-N -1 1 347.846 2.322 20 0 EEADMM CC(C)(C)[C@@H](CNc1cncc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001125858184 764990300 /nfs/dbraw/zinc/99/03/00/764990300.db2.gz VWRIHGIADGDORW-LLVKDONJSA-N -1 1 349.822 2.487 20 0 EEADMM O=S(=O)([N-]CC1(Br)CC1)c1ccc(F)cc1F ZINC000920069966 770555440 /nfs/dbraw/zinc/55/54/40/770555440.db2.gz BGRDDKUCAQXREP-UHFFFAOYSA-N -1 1 326.162 2.171 20 0 EEADMM CC(C)(C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000979672508 770825916 /nfs/dbraw/zinc/82/59/16/770825916.db2.gz KNUPRUCDNBOLQZ-MQMHXKEQSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(NC1CCC(NC(=O)C2CC3(CC3)C2)CC1)c1ncccc1[O-] ZINC000980147556 773949643 /nfs/dbraw/zinc/94/96/43/773949643.db2.gz YMQVGUHQWOXBAW-UHFFFAOYSA-N -1 1 343.427 2.135 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000938569827 774138642 /nfs/dbraw/zinc/13/86/42/774138642.db2.gz RBVXSQWHWYKUKL-KUHUBIRLSA-N -1 1 343.427 2.207 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001167812277 774796791 /nfs/dbraw/zinc/79/67/91/774796791.db2.gz KMQDLAIQOYBJHQ-HDJSIYSDSA-N -1 1 349.479 2.103 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)CCCCCCCC(=O)OC)[n-]1 ZINC001144947322 790624228 /nfs/dbraw/zinc/62/42/28/790624228.db2.gz ZTLMJKVCSFZMAG-UHFFFAOYSA-N -1 1 339.392 2.429 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)CCCCCCCC(=O)OC)n1 ZINC001144947322 790624236 /nfs/dbraw/zinc/62/42/36/790624236.db2.gz ZTLMJKVCSFZMAG-UHFFFAOYSA-N -1 1 339.392 2.429 20 0 EEADMM COC(=O)CC(C)(C)CC(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000182423786 778940082 /nfs/dbraw/zinc/94/00/82/778940082.db2.gz DNHFTLVJOBYQHW-UHFFFAOYSA-N -1 1 344.770 2.220 20 0 EEADMM CCC(=O)N1CCC2(C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982244730 779354972 /nfs/dbraw/zinc/35/49/72/779354972.db2.gz FNNUJPQJMMERPO-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)n1c(CCNC(=O)c2c[nH]c3ncccc23)n[n-]c1=S ZINC000067073374 780515899 /nfs/dbraw/zinc/51/58/99/780515899.db2.gz BHOXJDFVGSTMIH-UHFFFAOYSA-N -1 1 330.417 2.370 20 0 EEADMM CC(C)Oc1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167934234 780988015 /nfs/dbraw/zinc/98/80/15/780988015.db2.gz QAHQFEVYHDOARO-UHFFFAOYSA-N -1 1 349.327 2.349 20 0 EEADMM CC(C)c1cccc(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)c1 ZINC001035092375 783752095 /nfs/dbraw/zinc/75/20/95/783752095.db2.gz DBQBEOMOUAYSBA-OAHLLOKOSA-N -1 1 343.431 2.028 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CC1CCCC1 ZINC000945287770 783780272 /nfs/dbraw/zinc/78/02/72/783780272.db2.gz HZHAHFIFVQAHAR-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CC1CCCC1 ZINC000945287755 783780664 /nfs/dbraw/zinc/78/06/64/783780664.db2.gz HZHAHFIFVQAHAR-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)c1ccco1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945624361 784535014 /nfs/dbraw/zinc/53/50/14/784535014.db2.gz TVTHEIPGROBOMO-CHWSQXEVSA-N -1 1 343.383 2.051 20 0 EEADMM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478575 784657796 /nfs/dbraw/zinc/65/77/96/784657796.db2.gz WEQCOUCIFFPVTA-GFCCVEGCSA-N -1 1 348.819 2.265 20 0 EEADMM COC[C@H](Cc1ccccc1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907676369 784792022 /nfs/dbraw/zinc/79/20/22/784792022.db2.gz LUUCQVSXNVZTSA-HNNXBMFYSA-N -1 1 341.411 2.389 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907970418 784998946 /nfs/dbraw/zinc/99/89/46/784998946.db2.gz XKPJXVVRRIPLNW-CUBALJKWSA-N -1 1 345.443 2.461 20 0 EEADMM Cn1ncc(CCCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)n1 ZINC000817964257 785110274 /nfs/dbraw/zinc/11/02/74/785110274.db2.gz VJOBITPMEZBWNQ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/99/83/30/796998330.db2.gz AAANAJVMGONYIY-LSDHHAIUSA-N -1 1 345.443 2.192 20 0 EEADMM CC/C=C(/C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081928830 797010625 /nfs/dbraw/zinc/01/06/25/797010625.db2.gz RUFMXDYQXSGSSA-LVOZBFFPSA-N -1 1 331.416 2.254 20 0 EEADMM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cnc(OC)s2)n1 ZINC000916385335 797598393 /nfs/dbraw/zinc/59/83/93/797598393.db2.gz RYHPIRDKPWTLBI-ZETCQYMHSA-N -1 1 333.460 2.210 20 0 EEADMM COC(=O)[N-]C(=S)N(c1c(C)nn(C)c1C)c1ccccc1N ZINC001174229602 797718865 /nfs/dbraw/zinc/71/88/65/797718865.db2.gz FBCIYHSOKIWBJE-UHFFFAOYSA-N -1 1 333.417 2.398 20 0 EEADMM C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C1CC1 ZINC001002198035 797724444 /nfs/dbraw/zinc/72/44/44/797724444.db2.gz GXYIALMBYUPMSG-MYPMTAMASA-N -1 1 343.427 2.085 20 0 EEADMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC001174301259 797729006 /nfs/dbraw/zinc/72/90/06/797729006.db2.gz RCJYUOADXGVRPW-UHFFFAOYSA-N -1 1 332.360 2.394 20 0 EEADMM CC[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060667262 797730832 /nfs/dbraw/zinc/73/08/32/797730832.db2.gz RYENOSNNRSOULK-MGPQQGTHSA-N -1 1 333.432 2.238 20 0 EEADMM CC1=C(C)C[C@](C)(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000994353353 797841405 /nfs/dbraw/zinc/84/14/05/797841405.db2.gz QWJXYVYEHFZSOU-LJQANCHMSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])co1 ZINC001002410331 798027984 /nfs/dbraw/zinc/02/79/84/798027984.db2.gz GLYJRWGCEQZIHG-CQSZACIVSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)cc1 ZINC001175258348 798057254 /nfs/dbraw/zinc/05/72/54/798057254.db2.gz FEKHWZXQFKAURT-UHFFFAOYSA-N -1 1 349.412 2.217 20 0 EEADMM Cc1n[nH]c(C(=O)NC2CCN(Cc3ccccc3Cl)CC2)c1[O-] ZINC001002614067 798340003 /nfs/dbraw/zinc/34/00/03/798340003.db2.gz FBGGCPGMNOLARI-UHFFFAOYSA-N -1 1 348.834 2.472 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C\c2ccsc2)cc1 ZINC000917950373 798429519 /nfs/dbraw/zinc/42/95/19/798429519.db2.gz GPAKXCCDCZDNFF-UQCOIBPSSA-N -1 1 345.376 2.270 20 0 EEADMM CS(=O)(=O)c1ccc([O-])c(Nc2cnn(Cc3cccnc3)c2)c1 ZINC001176458595 798462876 /nfs/dbraw/zinc/46/28/76/798462876.db2.gz RWTAUARVSQNKHP-UHFFFAOYSA-N -1 1 344.396 2.179 20 0 EEADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cnc(N2CCCCC2)nc1 ZINC001176505051 798477180 /nfs/dbraw/zinc/47/71/80/798477180.db2.gz NAPPCPIDAQRTGH-UHFFFAOYSA-N -1 1 333.377 2.393 20 0 EEADMM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2nn[n-]n2)c1 ZINC001176838508 798596166 /nfs/dbraw/zinc/59/61/66/798596166.db2.gz XPZOHUDEBGHJGG-UHFFFAOYSA-N -1 1 339.403 2.173 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)CCn1cccc1)c1ccccc1N ZINC001176939865 798639657 /nfs/dbraw/zinc/63/96/57/798639657.db2.gz JBDHTNCCOZGDOT-UHFFFAOYSA-N -1 1 346.412 2.135 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)CCn1cccc1)c1ccccc1N ZINC001176939865 798639659 /nfs/dbraw/zinc/63/96/59/798639659.db2.gz JBDHTNCCOZGDOT-UHFFFAOYSA-N -1 1 346.412 2.135 20 0 EEADMM COc1cc(N(c2cc(F)cc(F)c2[O-])S(C)(=O)=O)ccc1N ZINC001212489642 799044974 /nfs/dbraw/zinc/04/49/74/799044974.db2.gz WQKVTKHBCQHOQP-UHFFFAOYSA-N -1 1 344.339 2.359 20 0 EEADMM C[C@@H](Nc1cccc(F)n1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001065701910 799393175 /nfs/dbraw/zinc/39/31/75/799393175.db2.gz XDUDPTBHKPFLKX-VXGBXAGGSA-N -1 1 330.363 2.284 20 0 EEADMM Cc1cc(NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)nc(C)n1 ZINC001065838336 799617243 /nfs/dbraw/zinc/61/72/43/799617243.db2.gz AYSFLVRMORPGSR-SMDDNHRTSA-N -1 1 341.415 2.014 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2c(C)cc(C)cc2F)o1 ZINC000786577142 806817865 /nfs/dbraw/zinc/81/78/65/806817865.db2.gz NAMCJWYIBHFKAO-UHFFFAOYSA-N -1 1 341.360 2.301 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)C1 ZINC001085435223 800500843 /nfs/dbraw/zinc/50/08/43/800500843.db2.gz ZYWHDIQMTPMDIM-MGPQQGTHSA-N -1 1 349.479 2.244 20 0 EEADMM CN(C[C@@H]1CCN1Cc1cccc(F)c1)C(=O)c1ncccc1[O-] ZINC001085561384 800766721 /nfs/dbraw/zinc/76/67/21/800766721.db2.gz KDBXYIQZQNCUFZ-HNNXBMFYSA-N -1 1 329.375 2.273 20 0 EEADMM CSc1nc(NC(=O)C2CC(O)(c3ccccc3)C2)cc(=O)[n-]1 ZINC001181607828 800849135 /nfs/dbraw/zinc/84/91/35/800849135.db2.gz MNXBOXRCZOSJFM-UHFFFAOYSA-N -1 1 331.397 2.140 20 0 EEADMM COc1cc(CC(=O)C(=O)Nc2c([O-])cccc2C(C)=O)ccc1O ZINC001184253936 801950226 /nfs/dbraw/zinc/95/02/26/801950226.db2.gz ZITNYCCEHBESJX-UHFFFAOYSA-N -1 1 343.335 2.059 20 0 EEADMM Cc1sccc1C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000946679202 802797808 /nfs/dbraw/zinc/79/78/08/802797808.db2.gz OIYSKJFZJFIIGJ-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)no1 ZINC000379624103 802826921 /nfs/dbraw/zinc/82/69/21/802826921.db2.gz ZCNIJSXQBPDBBU-CQSZACIVSA-N -1 1 343.383 2.157 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)ccc2F)o1 ZINC000787639937 807178478 /nfs/dbraw/zinc/17/84/78/807178478.db2.gz HYURQJTXSCCTBT-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM Cc1nc(Cl)cc(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112984133 807764343 /nfs/dbraw/zinc/76/43/43/807764343.db2.gz TXNBMIIZYBFZCR-RKDXNWHRSA-N -1 1 335.795 2.158 20 0 EEADMM Cc1cccc([C@@H](CC(=O)Nc2nc(Cl)ccc2[O-])NC(N)=O)c1 ZINC000790046573 808344134 /nfs/dbraw/zinc/34/41/34/808344134.db2.gz IAFVTZFYLPCHIR-LLVKDONJSA-N -1 1 348.790 2.487 20 0 EEADMM CN(C)C(=O)COc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055039 808381902 /nfs/dbraw/zinc/38/19/02/808381902.db2.gz AWNVVMYSZJMGJP-UHFFFAOYSA-N -1 1 349.774 2.160 20 0 EEADMM CC(C)Cc1ccccc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000790838359 808931044 /nfs/dbraw/zinc/93/10/44/808931044.db2.gz JNOFZBRENOAKMJ-UHFFFAOYSA-N -1 1 348.424 2.490 20 0 EEADMM Cc1cnc(C)nc1NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001113416519 808946778 /nfs/dbraw/zinc/94/67/78/808946778.db2.gz QHGJDWJMYVESSI-UHFFFAOYSA-N -1 1 343.431 2.404 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1nc2cc(F)ccc2o1 ZINC001113575424 809273939 /nfs/dbraw/zinc/27/39/39/809273939.db2.gz VDWZBOMOGDSJJK-JTQLQIEISA-N -1 1 344.346 2.322 20 0 EEADMM O=C([N-]CCCOC(=O)[C@H]1CCC(=O)c2ccccc21)C(F)(F)F ZINC000792649505 809922992 /nfs/dbraw/zinc/92/29/92/809922992.db2.gz WHVDICJFBRLJNY-LBPRGKRZSA-N -1 1 343.301 2.359 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)c1ccccn1 ZINC000793466955 810352071 /nfs/dbraw/zinc/35/20/71/810352071.db2.gz GVAFPRBWEYOBKY-NEPJUHHUSA-N -1 1 343.349 2.102 20 0 EEADMM CSCCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000794190497 810706414 /nfs/dbraw/zinc/70/64/14/810706414.db2.gz YLBXNOCORUGZMY-SECBINFHSA-N -1 1 346.811 2.243 20 0 EEADMM CCCc1ccc(N2C[C@H](C(=O)[N-]OCCCOC)CC2=O)cc1 ZINC000805038907 811120474 /nfs/dbraw/zinc/12/04/74/811120474.db2.gz INFVEDSSOFOIOS-OAHLLOKOSA-N -1 1 334.416 2.076 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)N1c2ccccc2CCc2ccccc21 ZINC000805603297 811364224 /nfs/dbraw/zinc/36/42/24/811364224.db2.gz KWCTZZPNWDMJSW-UHFFFAOYSA-N -1 1 348.362 2.425 20 0 EEADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000805605016 811372391 /nfs/dbraw/zinc/37/23/91/811372391.db2.gz HSJFGBBHDUBFKH-ZETCQYMHSA-N -1 1 328.250 2.008 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)Cc1ccco1 ZINC000806015980 811706521 /nfs/dbraw/zinc/70/65/21/811706521.db2.gz GIWJXTXPSORCRY-UHFFFAOYSA-N -1 1 339.351 2.474 20 0 EEADMM COc1ccc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cl ZINC000806485880 811897030 /nfs/dbraw/zinc/89/70/30/811897030.db2.gz DEIAYZOXCAPYFM-UHFFFAOYSA-N -1 1 345.790 2.326 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902855091 939288409 /nfs/dbraw/zinc/28/84/09/939288409.db2.gz TWMNOWSRANTXQA-NKZPBKNFSA-N -1 1 331.347 2.157 20 0 EEADMM CC(=O)N[C@H]1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C1 ZINC000322311499 970872166 /nfs/dbraw/zinc/87/21/66/970872166.db2.gz YQAIRKKGMLFRJG-JTQLQIEISA-N -1 1 336.388 2.449 20 0 EEADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCCc2ccc(F)cc2)C1 ZINC000324641574 971143075 /nfs/dbraw/zinc/14/30/75/971143075.db2.gz XKRBMISRFHWJFW-HNNXBMFYSA-N -1 1 336.407 2.061 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O=C(Nc1cccc(CN2CCOCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436932803 539952532 /nfs/dbraw/zinc/95/25/32/539952532.db2.gz OVBGZSKTMADMGX-UHFFFAOYSA-N -1 1 340.379 2.046 20 0 EEADMM CSCCCCCNC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000187416307 236205829 /nfs/dbraw/zinc/20/58/29/236205829.db2.gz DWZHIGRRHVCZJL-UHFFFAOYSA-N -1 1 343.518 2.382 20 0 EEADMM COCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000026547168 212525542 /nfs/dbraw/zinc/52/55/42/212525542.db2.gz CSDLNAXDVHJEAS-UHFFFAOYSA-N -1 1 346.408 2.153 20 0 EEADMM O=C([O-])[C@@H]1CCCCN1Cc1cc2c(cc1OC(F)F)OCO2 ZINC000263448062 304105587 /nfs/dbraw/zinc/10/55/87/304105587.db2.gz YNTLUYDUPMTQSD-JTQLQIEISA-N -1 1 329.299 2.456 20 0 EEADMM Cc1sc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1Br ZINC000424777149 241042683 /nfs/dbraw/zinc/04/26/83/241042683.db2.gz JZDALXGADHVNAI-ZCFIWIBFSA-N -1 1 344.238 2.208 20 0 EEADMM O=S(=O)([N-]C[C@H](O)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000228545077 242141581 /nfs/dbraw/zinc/14/15/81/242141581.db2.gz VIRAJQZINKZTEJ-ZETCQYMHSA-N -1 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CCc1cc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)on1 ZINC000741248889 578115204 /nfs/dbraw/zinc/11/52/04/578115204.db2.gz BIMJVFSOBRIQJG-UHFFFAOYSA-N -1 1 336.200 2.417 20 0 EEADMM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735710207 578164676 /nfs/dbraw/zinc/16/46/76/578164676.db2.gz NFEPJZLHQSXSDE-INIZCTEOSA-N -1 1 327.432 2.421 20 0 EEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](c2ccco2)C1 ZINC000736213990 578187144 /nfs/dbraw/zinc/18/71/44/578187144.db2.gz HITWFVWJFFMCTG-CJNGLKHVSA-N -1 1 342.395 2.472 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]2CCCC[C@H]12 ZINC000736277268 578192899 /nfs/dbraw/zinc/19/28/99/578192899.db2.gz LYYHSYPEAIYLOV-KYOSRNDESA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]2CCCC[C@H]12 ZINC000736277268 578192900 /nfs/dbraw/zinc/19/29/00/578192900.db2.gz LYYHSYPEAIYLOV-KYOSRNDESA-N -1 1 326.404 2.303 20 0 EEADMM C[C@H](CN(CC(=O)N1CCSc2ccccc21)C1CC1)C(=O)[O-] ZINC000736577907 578211530 /nfs/dbraw/zinc/21/15/30/578211530.db2.gz GXPIVYIYXCUXHC-GFCCVEGCSA-N -1 1 334.441 2.310 20 0 EEADMM C[C@H](CN(CC(=O)N(C)c1nccs1)Cc1ccccc1)C(=O)[O-] ZINC000736579987 578212797 /nfs/dbraw/zinc/21/27/97/578212797.db2.gz WAVGMZKNZVWAFF-CYBMUJFWSA-N -1 1 347.440 2.329 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736608239 578214601 /nfs/dbraw/zinc/21/46/01/578214601.db2.gz BQZFXRYOPIKIDN-KBPBESRZSA-N -1 1 343.387 2.156 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736608239 578214602 /nfs/dbraw/zinc/21/46/02/578214602.db2.gz BQZFXRYOPIKIDN-KBPBESRZSA-N -1 1 343.387 2.156 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000736646892 578215613 /nfs/dbraw/zinc/21/56/13/578215613.db2.gz MOWFJINCMKRMBJ-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000736646892 578215614 /nfs/dbraw/zinc/21/56/14/578215614.db2.gz MOWFJINCMKRMBJ-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCc1csc([C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC000736699614 578218536 /nfs/dbraw/zinc/21/85/36/578218536.db2.gz OFOGPUYIEAFWQJ-SNVBAGLBSA-N -1 1 342.432 2.060 20 0 EEADMM CCc1csc([C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC000736699614 578218537 /nfs/dbraw/zinc/21/85/37/578218537.db2.gz OFOGPUYIEAFWQJ-SNVBAGLBSA-N -1 1 342.432 2.060 20 0 EEADMM Cc1ccc(OCCCn2cccc(-c3nn[n-]n3)c2=O)cc1C ZINC000737366826 578253088 /nfs/dbraw/zinc/25/30/88/578253088.db2.gz UOXOOJADCBROQU-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM CN1CCC[C@@H]1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000737523699 578262601 /nfs/dbraw/zinc/26/26/01/578262601.db2.gz UMQHJVGPSIYKBG-ZWKOTPCHSA-N -1 1 340.423 2.294 20 0 EEADMM Cc1nnc(Oc2cccc(-n3cccn3)c2)c(-c2nn[n-]n2)c1C ZINC000737534018 578262745 /nfs/dbraw/zinc/26/27/45/578262745.db2.gz QXNYTSSDQPCCNB-UHFFFAOYSA-N -1 1 334.343 2.252 20 0 EEADMM O=C(CCCOC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000737841536 578270672 /nfs/dbraw/zinc/27/06/72/578270672.db2.gz LISJXHORZGMORV-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM O=C(CCCOC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000737841536 578270673 /nfs/dbraw/zinc/27/06/73/578270673.db2.gz LISJXHORZGMORV-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822242336 599060968 /nfs/dbraw/zinc/06/09/68/599060968.db2.gz IQNMNGYTZHMHCI-OAHLLOKOSA-N -1 1 349.398 2.178 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822242336 599060971 /nfs/dbraw/zinc/06/09/71/599060971.db2.gz IQNMNGYTZHMHCI-OAHLLOKOSA-N -1 1 349.398 2.178 20 0 EEADMM Cc1nn(-c2ccccc2)c(CS[C@H](C)[C@@H](C)O)c1-c1nn[n-]n1 ZINC000822486554 599131497 /nfs/dbraw/zinc/13/14/97/599131497.db2.gz OHGMOCDBUBOHME-VXGBXAGGSA-N -1 1 344.444 2.363 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc(-c2nnnn2C2CC2)c1 ZINC000823756565 607311324 /nfs/dbraw/zinc/31/13/24/607311324.db2.gz CBMAXUBETYSESX-UHFFFAOYSA-N -1 1 349.358 2.060 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc(-c2nnnn2C2CC2)c1 ZINC000823756565 607311325 /nfs/dbraw/zinc/31/13/25/607311325.db2.gz CBMAXUBETYSESX-UHFFFAOYSA-N -1 1 349.358 2.060 20 0 EEADMM CN1CCOc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821630246 607316969 /nfs/dbraw/zinc/31/69/69/607316969.db2.gz QSPMCQWAGTYZTO-UHFFFAOYSA-N -1 1 328.401 2.369 20 0 EEADMM CC(C)[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)C(=O)[O-] ZINC000820044009 598188243 /nfs/dbraw/zinc/18/82/43/598188243.db2.gz OJLNIJMMCIKOJF-MRXNPFEDSA-N -1 1 336.436 2.101 20 0 EEADMM CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820868971 599341847 /nfs/dbraw/zinc/34/18/47/599341847.db2.gz DCEWAEMAOMRPBV-SECBINFHSA-N -1 1 343.840 2.187 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CCC2(C1)CCOCC2 ZINC000823791807 599359086 /nfs/dbraw/zinc/35/90/86/599359086.db2.gz IPRHUYYYGXXDOB-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CCC2(C1)CCOCC2 ZINC000823791807 599359089 /nfs/dbraw/zinc/35/90/89/599359089.db2.gz IPRHUYYYGXXDOB-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000820716018 599547659 /nfs/dbraw/zinc/54/76/59/599547659.db2.gz GOOAJEGFVXUBRH-FZMZJTMJSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000820716018 599547662 /nfs/dbraw/zinc/54/76/62/599547662.db2.gz GOOAJEGFVXUBRH-FZMZJTMJSA-N -1 1 338.371 2.468 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826316424 607391422 /nfs/dbraw/zinc/39/14/22/607391422.db2.gz NUFQLJFABCWXME-NEPJUHHUSA-N -1 1 341.396 2.479 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826316424 607391424 /nfs/dbraw/zinc/39/14/24/607391424.db2.gz NUFQLJFABCWXME-NEPJUHHUSA-N -1 1 341.396 2.479 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1ccc(Br)cn1)C(=O)[O-] ZINC000036808094 600152347 /nfs/dbraw/zinc/15/23/47/600152347.db2.gz CAZWQDRMEOWTNR-ZDUSSCGKSA-N -1 1 344.209 2.016 20 0 EEADMM C[C@@H]1C(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000828143961 600712898 /nfs/dbraw/zinc/71/28/98/600712898.db2.gz SUAPGTXRCOXTEO-CWRNSKLLSA-N -1 1 328.412 2.350 20 0 EEADMM COC[C@@H](C)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000831643495 600986771 /nfs/dbraw/zinc/98/67/71/600986771.db2.gz KPJGPRVGAFSHQR-IUODEOHRSA-N -1 1 326.824 2.118 20 0 EEADMM CCc1cc(CNC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)n[nH]1 ZINC000830218774 601080839 /nfs/dbraw/zinc/08/08/39/601080839.db2.gz OCXQAHIDJZVOPO-UHFFFAOYSA-N -1 1 348.359 2.009 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\Sc2ccccc2)CC1 ZINC000827355057 601099572 /nfs/dbraw/zinc/09/95/72/601099572.db2.gz HOCIBJQVDUBPED-VDBIKXPHSA-N -1 1 334.441 2.300 20 0 EEADMM CCOc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830109476 601126702 /nfs/dbraw/zinc/12/67/02/601126702.db2.gz BQFPMSAXMQUENM-ZDUSSCGKSA-N -1 1 335.404 2.098 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000827368699 601131414 /nfs/dbraw/zinc/13/14/14/601131414.db2.gz HQETUAHPMOUEFC-LBPRGKRZSA-N -1 1 330.388 2.181 20 0 EEADMM C[C@H](OC[C@H](O)CN1CC[C@@](F)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827879635 601446371 /nfs/dbraw/zinc/44/63/71/601446371.db2.gz UTNAYTBSJZEKOZ-PEYYIBSZSA-N -1 1 345.798 2.277 20 0 EEADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425324 601518375 /nfs/dbraw/zinc/51/83/75/601518375.db2.gz YRBOGXNUNZGHND-WCABBAIRSA-N -1 1 328.771 2.459 20 0 EEADMM O=[S@@](Cc1cccc(Cl)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826496235 607530462 /nfs/dbraw/zinc/53/04/62/607530462.db2.gz PCJKIUUUIVWESE-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=[S@@](Cc1cccc(Cl)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826496235 607530463 /nfs/dbraw/zinc/53/04/63/607530463.db2.gz PCJKIUUUIVWESE-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=C([O-])c1cccc(OCCOC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000833331955 602015906 /nfs/dbraw/zinc/01/59/06/602015906.db2.gz VBYGQQKHYSGNRN-ZDUSSCGKSA-N -1 1 330.340 2.150 20 0 EEADMM CC[C@@](NC(=O)[C@@H]1CCCc2[nH]ncc21)(C(=O)[O-])c1ccccc1 ZINC000828921628 602029934 /nfs/dbraw/zinc/02/99/34/602029934.db2.gz QBQWIDYYOXRFIX-ACJLOTCBSA-N -1 1 327.384 2.336 20 0 EEADMM COc1ccccc1[C@H](CNC(=O)[C@@H](C)CC(=O)[O-])N1CCCCC1 ZINC000832595955 602109035 /nfs/dbraw/zinc/10/90/35/602109035.db2.gz NILMXNGBDQKUKZ-HOCLYGCPSA-N -1 1 348.443 2.449 20 0 EEADMM Cc1ccnc(N2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000832984049 604392696 /nfs/dbraw/zinc/39/26/96/604392696.db2.gz MHUGCQDHNPGNLN-UHFFFAOYSA-N -1 1 341.411 2.289 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(C)c1OCC(=O)[O-] ZINC000832862750 604426096 /nfs/dbraw/zinc/42/60/96/604426096.db2.gz DUDFXJZDZCYPNE-CQSZACIVSA-N -1 1 343.383 2.297 20 0 EEADMM COc1cccc(-c2cc(C(=O)Nc3cncc(C(=O)[O-])c3)[nH]n2)c1 ZINC000833734914 604599323 /nfs/dbraw/zinc/59/93/23/604599323.db2.gz KVOCKOUMDHXUPD-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM O=C([O-])c1cccc2[nH]c(NC(=O)Cc3n[nH]c4ccccc34)nc21 ZINC000833765442 604869537 /nfs/dbraw/zinc/86/95/37/604869537.db2.gz NZTPCFWXVKYFSD-UHFFFAOYSA-N -1 1 335.323 2.319 20 0 EEADMM C[C@H]1CCc2c(sc3nc(CN4CC[C@H](C(=O)[O-])C4)nc(N)c32)C1 ZINC000820245610 604907978 /nfs/dbraw/zinc/90/79/78/604907978.db2.gz OSXKMSKUDVCUGH-UWVGGRQHSA-N -1 1 346.456 2.305 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000833673555 605020185 /nfs/dbraw/zinc/02/01/85/605020185.db2.gz KMOWUIGJEPGRLM-SNVBAGLBSA-N -1 1 347.375 2.103 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1F ZINC000833627281 605109634 /nfs/dbraw/zinc/10/96/34/605109634.db2.gz WDCJVJQHZVYPME-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833671209 605115405 /nfs/dbraw/zinc/11/54/05/605115405.db2.gz SYGYREGZQSBHOF-LSDHHAIUSA-N -1 1 332.444 2.360 20 0 EEADMM CN(CC(C)(CO)CO)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833691949 605131162 /nfs/dbraw/zinc/13/11/62/605131162.db2.gz IJRJGJPHMCJCQQ-LBPRGKRZSA-N -1 1 336.215 2.042 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)nc1 ZINC000833733652 605135083 /nfs/dbraw/zinc/13/50/83/605135083.db2.gz WORUORWRLCUWPX-UHFFFAOYSA-N -1 1 348.380 2.007 20 0 EEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=S)NCCCC(=O)[O-] ZINC000833625257 605180046 /nfs/dbraw/zinc/18/00/46/605180046.db2.gz TYHONZIZIKJZBB-LSDHHAIUSA-N -1 1 349.500 2.321 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000833742273 605250208 /nfs/dbraw/zinc/25/02/08/605250208.db2.gz ILIQVABUUPPMQO-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM CC(C)Oc1cccc(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC000833506768 605276220 /nfs/dbraw/zinc/27/62/20/605276220.db2.gz KVJWOJJDCRSIGF-OAHLLOKOSA-N -1 1 348.443 2.024 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccccc2-c2ccno2)c(C(=O)[O-])[nH]1 ZINC000833746750 605525310 /nfs/dbraw/zinc/52/53/10/605525310.db2.gz HQJQWMXXGIZXHI-UHFFFAOYSA-N -1 1 347.352 2.477 20 0 EEADMM CC[C@@](C)(NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820853027 606158343 /nfs/dbraw/zinc/15/83/43/606158343.db2.gz JLPWLSNZMNIMBY-MRXNPFEDSA-N -1 1 340.391 2.047 20 0 EEADMM CC[C@@](C)(NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820853027 606158346 /nfs/dbraw/zinc/15/83/46/606158346.db2.gz JLPWLSNZMNIMBY-MRXNPFEDSA-N -1 1 340.391 2.047 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc(C(C)(C)C)o1 ZINC000820508544 606167239 /nfs/dbraw/zinc/16/72/39/606167239.db2.gz RFIUKWFLNYOZME-SECBINFHSA-N -1 1 342.359 2.465 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc(C(C)(C)C)o1 ZINC000820508544 606167240 /nfs/dbraw/zinc/16/72/40/606167240.db2.gz RFIUKWFLNYOZME-SECBINFHSA-N -1 1 342.359 2.465 20 0 EEADMM CCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821060356 606182843 /nfs/dbraw/zinc/18/28/43/606182843.db2.gz BPFNXFUUGCGQGR-UHFFFAOYSA-N -1 1 328.376 2.431 20 0 EEADMM CCCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821060356 606182844 /nfs/dbraw/zinc/18/28/44/606182844.db2.gz BPFNXFUUGCGQGR-UHFFFAOYSA-N -1 1 328.376 2.431 20 0 EEADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820697785 606195383 /nfs/dbraw/zinc/19/53/83/606195383.db2.gz MDOAFKZRDGVECM-ZYHUDNBSSA-N -1 1 331.376 2.106 20 0 EEADMM O=C(CCc1ccccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822982275 606195951 /nfs/dbraw/zinc/19/59/51/606195951.db2.gz DBZYYHLBOBSOAA-UHFFFAOYSA-N -1 1 327.319 2.283 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000823766794 606423635 /nfs/dbraw/zinc/42/36/35/606423635.db2.gz JSOHYYDTFJJNMR-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000823766794 606423637 /nfs/dbraw/zinc/42/36/37/606423637.db2.gz JSOHYYDTFJJNMR-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000820392239 606500022 /nfs/dbraw/zinc/50/00/22/606500022.db2.gz SYYZHCQJGLFTAK-MRVPVSSYSA-N -1 1 343.368 2.148 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCO2 ZINC000820392239 606500024 /nfs/dbraw/zinc/50/00/24/606500024.db2.gz SYYZHCQJGLFTAK-MRVPVSSYSA-N -1 1 343.368 2.148 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)on1 ZINC000822199056 606526408 /nfs/dbraw/zinc/52/64/08/606526408.db2.gz URPYNCSZKGXNMP-VIFPVBQESA-N -1 1 330.373 2.202 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)on1 ZINC000822199056 606526410 /nfs/dbraw/zinc/52/64/10/606526410.db2.gz URPYNCSZKGXNMP-VIFPVBQESA-N -1 1 330.373 2.202 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000823484147 606542099 /nfs/dbraw/zinc/54/20/99/606542099.db2.gz SBUXKHXJRRUHAA-VIFPVBQESA-N -1 1 329.389 2.019 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2C1 ZINC000821627083 606550877 /nfs/dbraw/zinc/55/08/77/606550877.db2.gz MPUYPXWLWDZGMQ-UHFFFAOYSA-N -1 1 340.412 2.020 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000819818886 606576970 /nfs/dbraw/zinc/57/69/70/606576970.db2.gz XAZZKACYOHOZSF-UHFFFAOYSA-N -1 1 347.331 2.245 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000819818886 606576972 /nfs/dbraw/zinc/57/69/72/606576972.db2.gz XAZZKACYOHOZSF-UHFFFAOYSA-N -1 1 347.331 2.245 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000823436349 606652361 /nfs/dbraw/zinc/65/23/61/606652361.db2.gz QVUWADXPIIVDKG-OAHLLOKOSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCc2ccccc21 ZINC000823436349 606652362 /nfs/dbraw/zinc/65/23/62/606652362.db2.gz QVUWADXPIIVDKG-OAHLLOKOSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000823436071 606653970 /nfs/dbraw/zinc/65/39/70/606653970.db2.gz FZVMRVCLKBIFIR-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000823436071 606653971 /nfs/dbraw/zinc/65/39/71/606653971.db2.gz FZVMRVCLKBIFIR-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM CCCN(C)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821088693 607023705 /nfs/dbraw/zinc/02/37/05/607023705.db2.gz SQSNQELYEWHESD-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM CCCN(C)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821088693 607023706 /nfs/dbraw/zinc/02/37/06/607023706.db2.gz SQSNQELYEWHESD-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823379748 607110031 /nfs/dbraw/zinc/11/00/31/607110031.db2.gz GZKVRLLENHHRMU-NXEZZACHSA-N -1 1 330.348 2.205 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823379748 607110032 /nfs/dbraw/zinc/11/00/32/607110032.db2.gz GZKVRLLENHHRMU-NXEZZACHSA-N -1 1 330.348 2.205 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000822604840 607239104 /nfs/dbraw/zinc/23/91/04/607239104.db2.gz MSVOLZRALWZBPV-UHFFFAOYSA-N -1 1 339.403 2.079 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000822604840 607239105 /nfs/dbraw/zinc/23/91/05/607239105.db2.gz MSVOLZRALWZBPV-UHFFFAOYSA-N -1 1 339.403 2.079 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826461884 607807204 /nfs/dbraw/zinc/80/72/04/607807204.db2.gz JAEVAEQKENSEBI-OASPWFOLSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826461884 607807205 /nfs/dbraw/zinc/80/72/05/607807205.db2.gz JAEVAEQKENSEBI-OASPWFOLSA-N -1 1 346.412 2.433 20 0 EEADMM Cc1cnc(CCN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000826318441 607850588 /nfs/dbraw/zinc/85/05/88/607850588.db2.gz JZOJIFYKDVQNIU-UHFFFAOYSA-N -1 1 335.824 2.359 20 0 EEADMM Cc1cnc(CCN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000826318441 607850589 /nfs/dbraw/zinc/85/05/89/607850589.db2.gz JZOJIFYKDVQNIU-UHFFFAOYSA-N -1 1 335.824 2.359 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC000824334279 607903578 /nfs/dbraw/zinc/90/35/78/607903578.db2.gz UIIYVFIXCOFYNM-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC000824334279 607903579 /nfs/dbraw/zinc/90/35/79/607903579.db2.gz UIIYVFIXCOFYNM-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM O=C(N[C@H](CCCO)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826425940 608073520 /nfs/dbraw/zinc/07/35/20/608073520.db2.gz AIASHWNSJIKBHV-GFCCVEGCSA-N -1 1 343.412 2.172 20 0 EEADMM O=C(N[C@H](CCCO)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826425940 608073521 /nfs/dbraw/zinc/07/35/21/608073521.db2.gz AIASHWNSJIKBHV-GFCCVEGCSA-N -1 1 343.412 2.172 20 0 EEADMM Clc1nsc(N2CCC[C@@H](c3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC000826354055 608177364 /nfs/dbraw/zinc/17/73/64/608177364.db2.gz OETLJPSQHZKDTJ-SSDOTTSWSA-N -1 1 336.812 2.084 20 0 EEADMM COc1ccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826188050 608407049 /nfs/dbraw/zinc/40/70/49/608407049.db2.gz MGKPHBJGTIOFIY-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826188050 608407051 /nfs/dbraw/zinc/40/70/51/608407051.db2.gz MGKPHBJGTIOFIY-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM Cc1csc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826320380 608408438 /nfs/dbraw/zinc/40/84/38/608408438.db2.gz ONTYNVGXJJEGFK-NSHDSACASA-N -1 1 328.405 2.153 20 0 EEADMM Cc1csc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826320380 608408439 /nfs/dbraw/zinc/40/84/39/608408439.db2.gz ONTYNVGXJJEGFK-NSHDSACASA-N -1 1 328.405 2.153 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826367987 608412454 /nfs/dbraw/zinc/41/24/54/608412454.db2.gz XHDCNGFKJJXDLQ-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826367987 608412455 /nfs/dbraw/zinc/41/24/55/608412455.db2.gz XHDCNGFKJJXDLQ-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM Clc1ccccc1-n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC000826353683 608416385 /nfs/dbraw/zinc/41/63/85/608416385.db2.gz ZTRQWWWKRCFVFV-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccccc1-n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC000826353683 608416386 /nfs/dbraw/zinc/41/63/86/608416386.db2.gz ZTRQWWWKRCFVFV-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824087205 609323274 /nfs/dbraw/zinc/32/32/74/609323274.db2.gz RJZQIMAGWQCFQV-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824087205 609323276 /nfs/dbraw/zinc/32/32/76/609323276.db2.gz RJZQIMAGWQCFQV-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC000866842492 674593572 /nfs/dbraw/zinc/59/35/72/674593572.db2.gz CPUMKBRRDJWWAJ-CQSZACIVSA-N -1 1 331.340 2.403 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCC(F)CC1 ZINC001020549905 675079700 /nfs/dbraw/zinc/07/97/00/675079700.db2.gz WMUZDHMYCKWSDS-ABXWRUBCSA-N -1 1 349.406 2.035 20 0 EEADMM Cc1ccc(C)c(C[N@H+]2CC[C@H]2CNC(=O)c2ncccc2O)c1 ZINC001038190215 675982940 /nfs/dbraw/zinc/98/29/40/675982940.db2.gz AVJGTPVQCBVQKH-INIZCTEOSA-N -1 1 325.412 2.408 20 0 EEADMM Cc1nc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)c(C)o1 ZINC000947236117 675987718 /nfs/dbraw/zinc/98/77/18/675987718.db2.gz RAKCNZLASZDGFP-BXUZGUMPSA-N -1 1 344.415 2.175 20 0 EEADMM CCn1c(CCNC(=O)Cc2cn(C)c3ccccc23)n[n-]c1=S ZINC000067076156 676078794 /nfs/dbraw/zinc/07/87/94/676078794.db2.gz MDPXDHNTWSAFFD-UHFFFAOYSA-N -1 1 343.456 2.354 20 0 EEADMM C[C@@H]1CN(C(=O)CC2(C)CC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020773683 675486220 /nfs/dbraw/zinc/48/62/20/675486220.db2.gz TWHMKVGGPSRZHN-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C)c1nnc(SCc2cc(=O)oc3cc([O-])ccc23)n1N ZINC000021985329 675629285 /nfs/dbraw/zinc/62/92/85/675629285.db2.gz BRSTUDAWYYPXCT-UHFFFAOYSA-N -1 1 346.412 2.394 20 0 EEADMM C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000933385578 676652363 /nfs/dbraw/zinc/65/23/63/676652363.db2.gz FPMJHGLWQDJKTA-TVQRCGJNSA-N -1 1 346.258 2.063 20 0 EEADMM C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])[C@H]1CN(C)CCN1C ZINC000933385578 676652364 /nfs/dbraw/zinc/65/23/64/676652364.db2.gz FPMJHGLWQDJKTA-TVQRCGJNSA-N -1 1 346.258 2.063 20 0 EEADMM COc1ccc(OCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891633036 676740689 /nfs/dbraw/zinc/74/06/89/676740689.db2.gz WTGQWTGLGGUAQE-UHFFFAOYSA-N -1 1 329.356 2.087 20 0 EEADMM Cn1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc2ccccc21 ZINC000052241070 679077492 /nfs/dbraw/zinc/07/74/92/679077492.db2.gz YXDGCNNNRBPYTA-UHFFFAOYSA-N -1 1 336.347 2.292 20 0 EEADMM CN(C(=O)c1ccoc1Cl)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937218961 681723738 /nfs/dbraw/zinc/72/37/38/681723738.db2.gz BOQAZBUTGAHHSF-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM CC1(CC(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000982716533 682094919 /nfs/dbraw/zinc/09/49/19/682094919.db2.gz TVAXAAUHWKBPFU-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(C)CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000983250757 682115678 /nfs/dbraw/zinc/11/56/78/682115678.db2.gz CCUGXYWLNFSOCC-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM CCC(=O)N[C@H]1CCC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000983368260 682444226 /nfs/dbraw/zinc/44/42/26/682444226.db2.gz GZXGMKPKPIGRFD-STQMWFEESA-N -1 1 348.447 2.181 20 0 EEADMM O=C(CC1CCCCCC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000936281321 682967337 /nfs/dbraw/zinc/96/73/37/682967337.db2.gz YUUNYLICDSSJOZ-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983629898 683025088 /nfs/dbraw/zinc/02/50/88/683025088.db2.gz YOIHICAPGUMJQY-RDBSUJKOSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)C2CCCC2)C12CCC2)c1ncccc1[O-] ZINC001025854206 683365738 /nfs/dbraw/zinc/36/57/38/683365738.db2.gz NUFAVMVKBCKCQK-GJZGRUSLSA-N -1 1 343.427 2.135 20 0 EEADMM CCCCCC[C@](C)(NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)[O-] ZINC000909429185 683667323 /nfs/dbraw/zinc/66/73/23/683667323.db2.gz HSCQHODEHLUCJT-CJNGLKHVSA-N -1 1 330.494 2.354 20 0 EEADMM CCCCCC[C@](C)(NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000909429185 683667324 /nfs/dbraw/zinc/66/73/24/683667324.db2.gz HSCQHODEHLUCJT-CJNGLKHVSA-N -1 1 330.494 2.354 20 0 EEADMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](c4ncccn4)C3)c[n-]c2[nH+]1 ZINC000899534976 693779120 /nfs/dbraw/zinc/77/91/20/693779120.db2.gz XSCCOVMVEZPWJX-CYBMUJFWSA-N -1 1 349.394 2.454 20 0 EEADMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](c4ncccn4)C3)cnc2n1 ZINC000899534976 693779122 /nfs/dbraw/zinc/77/91/22/693779122.db2.gz XSCCOVMVEZPWJX-CYBMUJFWSA-N -1 1 349.394 2.454 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001029281079 683814649 /nfs/dbraw/zinc/81/46/49/683814649.db2.gz RYWYQSATSJQPQN-IYBDPMFKSA-N -1 1 341.386 2.415 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)co1 ZINC000984117704 684117397 /nfs/dbraw/zinc/11/73/97/684117397.db2.gz NJFZUWLRHTUALF-CQSZACIVSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@@H](CC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000984309581 684401218 /nfs/dbraw/zinc/40/12/18/684401218.db2.gz BYJITYAYVQGILP-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(-c2cc(C(=O)O[C@@H]3CCO[C@@]4(CCOC4)C3)[nH]n2)o1 ZINC000186121380 684511540 /nfs/dbraw/zinc/51/15/40/684511540.db2.gz WXNFHGMAAGBLBD-PXAZEXFGSA-N -1 1 332.356 2.473 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978746093 693867341 /nfs/dbraw/zinc/86/73/41/693867341.db2.gz YBFVZWAOUVIQNS-LJPSSGMGSA-N -1 1 345.443 2.094 20 0 EEADMM CC(C)(CNC(=O)c1ccc2ccc(O)cc2c1[O-])N1CCOCC1 ZINC000895414078 684592699 /nfs/dbraw/zinc/59/26/99/684592699.db2.gz KAHHSMWEIUJQHX-UHFFFAOYSA-N -1 1 344.411 2.092 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ccc(C)o2)CCN1C(=O)c1ncccc1[O-] ZINC000984499639 684630274 /nfs/dbraw/zinc/63/02/74/684630274.db2.gz RVXTZGRPMSVYRE-QWHCGFSZSA-N -1 1 343.383 2.112 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)[C@@H]1C[C@H]1C ZINC000936411594 684645262 /nfs/dbraw/zinc/64/52/62/684645262.db2.gz NZXLIYRGHFYPLK-UKRRQHHQSA-N -1 1 345.443 2.144 20 0 EEADMM Cc1coc(C(=O)N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000984531200 684708800 /nfs/dbraw/zinc/70/88/00/684708800.db2.gz WNGIZYIVQVHDES-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC=CCC1 ZINC000974469527 684959288 /nfs/dbraw/zinc/95/92/88/684959288.db2.gz QUOZDOZPBCPUQJ-LSDHHAIUSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1cccc(CCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000053745476 685001445 /nfs/dbraw/zinc/00/14/45/685001445.db2.gz MRQOKKMDEQOYMR-UHFFFAOYSA-N -1 1 325.364 2.427 20 0 EEADMM Cc1nc2ccccc2n1CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899991117 693956634 /nfs/dbraw/zinc/95/66/34/693956634.db2.gz ZRXLHHFSKIWVLI-UHFFFAOYSA-N -1 1 337.383 2.148 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000896964332 686014693 /nfs/dbraw/zinc/01/46/93/686014693.db2.gz BEGLDFNITVHJGJ-CVEARBPZSA-N -1 1 340.379 2.134 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228407 686321854 /nfs/dbraw/zinc/32/18/54/686321854.db2.gz WUBGEKCLYSMIPR-GFCCVEGCSA-N -1 1 335.379 2.019 20 0 EEADMM O=C(NC[C@H](O)c1ccco1)c1ccc(Br)c([O-])c1 ZINC000305174013 687059416 /nfs/dbraw/zinc/05/94/16/687059416.db2.gz KSOMSZCEOLJHQM-NSHDSACASA-N -1 1 326.146 2.211 20 0 EEADMM CCC(CC)(CC)C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985732696 687580476 /nfs/dbraw/zinc/58/04/76/687580476.db2.gz 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O=C([O-])CCc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC001608740727 1351753335 /nfs/dbraw/zinc/75/33/35/1351753335.db2.gz PGZBJOAWHHSWPQ-UHFFFAOYSA-N -1 1 337.339 2.136 20 0 EEADMM O=C([O-])CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC001608748736 1351755422 /nfs/dbraw/zinc/75/54/22/1351755422.db2.gz PSCQMBHEYVFBIZ-ROUUACIJSA-N -1 1 338.407 2.172 20 0 EEADMM O=C([O-])Cc1ccccc1CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001608789273 1351763889 /nfs/dbraw/zinc/76/38/89/1351763889.db2.gz XBEXZCMSLQHGJH-UHFFFAOYSA-N -1 1 342.399 2.126 20 0 EEADMM O=C([O-])c1cc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)on1 ZINC001608844175 1351777033 /nfs/dbraw/zinc/77/70/33/1351777033.db2.gz VVNJJBOOFKCDOD-GFCCVEGCSA-N -1 1 346.261 2.095 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001608862933 1351780702 /nfs/dbraw/zinc/78/07/02/1351780702.db2.gz IWCBDIRVPUFXTJ-UHFFFAOYSA-N -1 1 337.140 2.182 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)nc1 ZINC001608881312 1351785736 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CC(C)(C)[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC001609075299 1351831963 /nfs/dbraw/zinc/83/19/63/1351831963.db2.gz VQNBWANBKZCHTJ-ZDUSSCGKSA-N -1 1 339.403 2.061 20 0 EEADMM Cc1ccc(-c2nnc(C[N-]S(=O)(=O)c3cccs3)o2)o1 ZINC001322383592 1333257215 /nfs/dbraw/zinc/25/72/15/1333257215.db2.gz TUCBPVLNZVHBDP-UHFFFAOYSA-N -1 1 325.371 2.178 20 0 EEADMM C[C@@H](CCCCO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609109560 1351847244 /nfs/dbraw/zinc/84/72/44/1351847244.db2.gz FICHCIDTGUDWFX-QMMMGPOBSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@@H](CCCCO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609109560 1351847247 /nfs/dbraw/zinc/84/72/47/1351847247.db2.gz FICHCIDTGUDWFX-QMMMGPOBSA-N -1 1 330.314 2.244 20 0 EEADMM COCCC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001323858574 1333559513 /nfs/dbraw/zinc/55/95/13/1333559513.db2.gz BYBWCQKTBAPLHV-UHFFFAOYSA-N -1 1 327.233 2.482 20 0 EEADMM CN(C[C@H]1CCCCO1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609274028 1351916962 /nfs/dbraw/zinc/91/69/62/1351916962.db2.gz 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1351934417 /nfs/dbraw/zinc/93/44/17/1351934417.db2.gz JEDIYQKUKUOYCY-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1cccc(CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001609329576 1351934424 /nfs/dbraw/zinc/93/44/24/1351934424.db2.gz JEDIYQKUKUOYCY-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC001330668469 1334885114 /nfs/dbraw/zinc/88/51/14/1334885114.db2.gz XQTIKEWHULLTIV-INIZCTEOSA-N -1 1 348.443 2.431 20 0 EEADMM Cc1ccc(NCCc2ccn(-c3ccccc3)n2)nc1-c1nnn[n-]1 ZINC001609426031 1351971951 /nfs/dbraw/zinc/97/19/51/1351971951.db2.gz ATUVJWXZIRSMQX-UHFFFAOYSA-N -1 1 346.398 2.410 20 0 EEADMM Cc1ccc(NCCc2ccn(-c3ccccc3)n2)nc1-c1nn[n-]n1 ZINC001609426031 1351971953 /nfs/dbraw/zinc/97/19/53/1351971953.db2.gz ATUVJWXZIRSMQX-UHFFFAOYSA-N -1 1 346.398 2.410 20 0 EEADMM Cc1ccc(NCc2cccc(Cn3cccn3)c2)nc1-c1nnn[n-]1 ZINC001609426466 1351972118 /nfs/dbraw/zinc/97/21/18/1351972118.db2.gz UOYQPASZQFHLPZ-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1ccc(NCc2cccc(Cn3cccn3)c2)nc1-c1nn[n-]n1 ZINC001609426466 1351972120 /nfs/dbraw/zinc/97/21/20/1351972120.db2.gz UOYQPASZQFHLPZ-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609433080 1351974671 /nfs/dbraw/zinc/97/46/71/1351974671.db2.gz FUYHYDQEUGJAIT-JTQLQIEISA-N -1 1 345.384 2.142 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609433080 1351974672 /nfs/dbraw/zinc/97/46/72/1351974672.db2.gz FUYHYDQEUGJAIT-JTQLQIEISA-N -1 1 345.384 2.142 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC001609444473 1351980775 /nfs/dbraw/zinc/98/07/75/1351980775.db2.gz DSMUAEFHEAFFOX-LDYMZIIASA-N -1 1 341.375 2.186 20 0 EEADMM Cc1noc(C2CCC(Nc3snc(C)c3-c3nn[n-]n3)CC2)n1 ZINC001609463367 1351986843 /nfs/dbraw/zinc/98/68/43/1351986843.db2.gz VIZJCXQOPUCLCH-UHFFFAOYSA-N -1 1 346.420 2.461 20 0 EEADMM Cc1nsc(NCc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC001609466064 1351987654 /nfs/dbraw/zinc/98/76/54/1351987654.db2.gz BFOJROMIHKMAJB-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1nsc(NCc2ccnc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC001609466226 1351987791 /nfs/dbraw/zinc/98/77/91/1351987791.db2.gz JYBPCKWCRZIVNG-UHFFFAOYSA-N -1 1 331.405 2.426 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001609543041 1352010750 /nfs/dbraw/zinc/01/07/50/1352010750.db2.gz KTNDJDMPHHDVNC-LBPRGKRZSA-N -1 1 338.396 2.229 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001609543041 1352010754 /nfs/dbraw/zinc/01/07/54/1352010754.db2.gz KTNDJDMPHHDVNC-LBPRGKRZSA-N -1 1 338.396 2.229 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCSC2(CCC2)CC1 ZINC001609582146 1352025999 /nfs/dbraw/zinc/02/59/99/1352025999.db2.gz QFTOLIUTDSDBQL-UHFFFAOYSA-N -1 1 335.458 2.430 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCSC2(CCC2)CC1 ZINC001609582146 1352026002 /nfs/dbraw/zinc/02/60/02/1352026002.db2.gz QFTOLIUTDSDBQL-UHFFFAOYSA-N -1 1 335.458 2.430 20 0 EEADMM O=C(OCc1cc2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609576033 1352022592 /nfs/dbraw/zinc/02/25/92/1352022592.db2.gz WDJAVVWGDLGXDB-UHFFFAOYSA-N -1 1 337.295 2.071 20 0 EEADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(-c2nn[nH]n2)o1 ZINC001609595762 1352029797 /nfs/dbraw/zinc/02/97/97/1352029797.db2.gz FBFVWPNHPPRTBS-UHFFFAOYSA-N -1 1 343.727 2.053 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001609596620 1352029967 /nfs/dbraw/zinc/02/99/67/1352029967.db2.gz YNXJEMVPLKSSKC-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC001609606618 1352034058 /nfs/dbraw/zinc/03/40/58/1352034058.db2.gz PQQAQGNHYFLEHI-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC001609606618 1352034063 /nfs/dbraw/zinc/03/40/63/1352034063.db2.gz PQQAQGNHYFLEHI-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001609608482 1352035609 /nfs/dbraw/zinc/03/56/09/1352035609.db2.gz MHIUCZFRQVFLLT-RKDXNWHRSA-N -1 1 334.792 2.047 20 0 EEADMM CC(C)O[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001609709540 1352064728 /nfs/dbraw/zinc/06/47/28/1352064728.db2.gz RGQLXGIDILHJCX-RHSMWYFYSA-N -1 1 348.443 2.279 20 0 EEADMM C[C@H](CS(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001609751064 1352076421 /nfs/dbraw/zinc/07/64/21/1352076421.db2.gz VOEOEIWBWGYUIV-MRVPVSSYSA-N -1 1 341.763 2.072 20 0 EEADMM CC(C)[C@H](NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC001609772481 1352081870 /nfs/dbraw/zinc/08/18/70/1352081870.db2.gz KFZBHHCNXBRNOE-YGRLFVJLSA-N -1 1 344.358 2.164 20 0 EEADMM C[C@]1(c2ccccc2)CCN(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC001609824757 1352094650 /nfs/dbraw/zinc/09/46/50/1352094650.db2.gz JERXNJPOOLJAOB-QFBILLFUSA-N -1 1 342.439 2.321 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)o1 ZINC001609997783 1352137361 /nfs/dbraw/zinc/13/73/61/1352137361.db2.gz JOXUMIDEJLMFAU-UHFFFAOYSA-N -1 1 349.387 2.473 20 0 EEADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(C(=O)[O-])cc1F ZINC001610019819 1352142495 /nfs/dbraw/zinc/14/24/95/1352142495.db2.gz WAZHEHMNPDNIFG-KGLIPLIRSA-N -1 1 339.363 2.066 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000847358376 1337977557 /nfs/dbraw/zinc/97/75/57/1337977557.db2.gz MYWHAAJVVFYODU-WISYIIOYSA-N -1 1 335.370 2.416 20 0 EEADMM COC(=O)c1cc(CN2CCC[C@@H](n3ccnc3)C2)cc(C(=O)[O-])c1 ZINC001610196412 1352183249 /nfs/dbraw/zinc/18/32/49/1352183249.db2.gz GHRWCKBOGRFVFU-MRXNPFEDSA-N -1 1 343.383 2.205 20 0 EEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc(OC)c1O ZINC001610298571 1352201787 /nfs/dbraw/zinc/20/17/87/1352201787.db2.gz ZKQAYMDAGSOHQH-OAHLLOKOSA-N -1 1 333.340 2.031 20 0 EEADMM COc1ccc(-c2noc([C@@H](C)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001610309635 1352203566 /nfs/dbraw/zinc/20/35/66/1352203566.db2.gz VLVGWLUPSDXJRC-QQUHWDOBSA-N -1 1 329.356 2.069 20 0 EEADMM COc1ccc(-c2cc(C(=O)N(C)C(C)(C)CC(=O)[O-])n[nH]2)cc1 ZINC001610310327 1352203630 /nfs/dbraw/zinc/20/36/30/1352203630.db2.gz PGRBLVIYNQYTMY-UHFFFAOYSA-N -1 1 331.372 2.411 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)C(=O)OC(C)(C)C ZINC000848310041 1338663392 /nfs/dbraw/zinc/66/33/92/1338663392.db2.gz VDHANTRMOMCQII-JTQLQIEISA-N -1 1 337.420 2.322 20 0 EEADMM Cc1cc(C)c(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1 ZINC001610455074 1352224957 /nfs/dbraw/zinc/22/49/57/1352224957.db2.gz FRISBIPTPKPBNS-CYBMUJFWSA-N -1 1 334.420 2.020 20 0 EEADMM Cc1ccc2cccc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c2n1 ZINC001610515834 1352236918 /nfs/dbraw/zinc/23/69/18/1352236918.db2.gz TZQNFDSPKJXVNQ-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1Cl ZINC001610705036 1352262483 /nfs/dbraw/zinc/26/24/83/1352262483.db2.gz GCDCPMAFCPZYPL-SECBINFHSA-N -1 1 334.763 2.440 20 0 EEADMM O=C([O-])[C@H](NCc1cccc2c1OCCCO2)c1cccc(O)c1 ZINC001610720289 1352264426 /nfs/dbraw/zinc/26/44/26/1352264426.db2.gz IKYMYOXQUSPKBF-MRXNPFEDSA-N -1 1 329.352 2.469 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC001610827175 1352281590 /nfs/dbraw/zinc/28/15/90/1352281590.db2.gz VWMUVQFDCUVPBG-CQSZACIVSA-N -1 1 338.835 2.335 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)CC(C)(C)C ZINC001432071211 1340873259 /nfs/dbraw/zinc/87/32/59/1340873259.db2.gz RVWSRIJTWBUZHV-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM Cc1c(NC(=O)c2cccc([O-])c2F)cccc1N1CN=NC1=O ZINC001556888968 1342437355 /nfs/dbraw/zinc/43/73/55/1342437355.db2.gz QYJXCWRRQZFNIE-UHFFFAOYSA-N -1 1 328.303 2.378 20 0 EEADMM CC(C)N(CCN(C)Cc1ccc(-c2nn[nH]n2)s1)C(=O)C1CC1 ZINC001574270908 1343672343 /nfs/dbraw/zinc/67/23/43/1343672343.db2.gz BYUHKOAONFXRMH-UHFFFAOYSA-N -1 1 348.476 2.007 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576398984 1344009856 /nfs/dbraw/zinc/00/98/56/1344009856.db2.gz SIGSUUJLAPWLRU-SDBXPKJASA-N -1 1 327.369 2.180 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1CCNc1snc(C)c1-c1nn[n-]n1 ZINC001576420530 1344012679 /nfs/dbraw/zinc/01/26/79/1344012679.db2.gz WLRORHJGDWXOHJ-LLVKDONJSA-N -1 1 349.464 2.225 20 0 EEADMM CCC[C@@H](C)CCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577300451 1344124083 /nfs/dbraw/zinc/12/40/83/1344124083.db2.gz ICXMIGWKEDAWJX-SNVBAGLBSA-N -1 1 333.396 2.218 20 0 EEADMM CCCCC(=O)N[C@H](C)[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577407973 1344143580 /nfs/dbraw/zinc/14/35/80/1344143580.db2.gz GTKDVIYWDOTWND-RKDXNWHRSA-N -1 1 337.453 2.127 20 0 EEADMM CCSCc1cccnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578416907 1344275930 /nfs/dbraw/zinc/27/59/30/1344275930.db2.gz CCTQDBKNPGKDID-UHFFFAOYSA-N -1 1 330.373 2.360 20 0 EEADMM CCSCc1cccnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578416907 1344275934 /nfs/dbraw/zinc/27/59/34/1344275934.db2.gz CCTQDBKNPGKDID-UHFFFAOYSA-N -1 1 330.373 2.360 20 0 EEADMM CN(C(=O)[C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578847431 1344308347 /nfs/dbraw/zinc/30/83/47/1344308347.db2.gz ARNSFUGYPSUHJM-SUMWQHHRSA-N -1 1 338.346 2.109 20 0 EEADMM CN(C(=O)[C@@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578847431 1344308351 /nfs/dbraw/zinc/30/83/51/1344308351.db2.gz ARNSFUGYPSUHJM-SUMWQHHRSA-N -1 1 338.346 2.109 20 0 EEADMM CN1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)c2ccc(Cl)cc21 ZINC001579375001 1344376819 /nfs/dbraw/zinc/37/68/19/1344376819.db2.gz NLSRIJVTSLIOKP-UHFFFAOYSA-N -1 1 344.762 2.210 20 0 EEADMM CN1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)c2ccc(Cl)cc21 ZINC001579375001 1344376825 /nfs/dbraw/zinc/37/68/25/1344376825.db2.gz NLSRIJVTSLIOKP-UHFFFAOYSA-N -1 1 344.762 2.210 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001580082791 1344468202 /nfs/dbraw/zinc/46/82/02/1344468202.db2.gz CWIZJOWBNMGXKG-JTQLQIEISA-N -1 1 341.371 2.138 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001580082791 1344468207 /nfs/dbraw/zinc/46/82/07/1344468207.db2.gz CWIZJOWBNMGXKG-JTQLQIEISA-N -1 1 341.371 2.138 20 0 EEADMM COc1ncc(NC(=O)NC[C@@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001580136162 1344478994 /nfs/dbraw/zinc/47/89/94/1344478994.db2.gz NPPPCVDNHXJXLE-MNOVXSKESA-N -1 1 345.407 2.218 20 0 EEADMM Cc1nnc(CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C(C)(C)C)o1 ZINC001581609867 1344644018 /nfs/dbraw/zinc/64/40/18/1344644018.db2.gz XDEAWRWHHDOISH-UHFFFAOYSA-N -1 1 347.404 2.061 20 0 EEADMM Cc1nnc(CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C(C)(C)C)o1 ZINC001581609867 1344644022 /nfs/dbraw/zinc/64/40/22/1344644022.db2.gz XDEAWRWHHDOISH-UHFFFAOYSA-N -1 1 347.404 2.061 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccccc2F)c1-c1nnn[n-]1 ZINC001581683588 1344653258 /nfs/dbraw/zinc/65/32/58/1344653258.db2.gz DZXXXAJRHJFMBW-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC001581683588 1344653262 /nfs/dbraw/zinc/65/32/62/1344653262.db2.gz DZXXXAJRHJFMBW-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001582358433 1344743954 /nfs/dbraw/zinc/74/39/54/1344743954.db2.gz QKRGVRBMFOVQQE-UHFFFAOYSA-N -1 1 335.339 2.450 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1Cc2ccc(F)cc21 ZINC001582549406 1344760910 /nfs/dbraw/zinc/76/09/10/1344760910.db2.gz YYHSEWIOSCIJCZ-LBPRGKRZSA-N -1 1 329.360 2.023 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)c(Cl)c1 ZINC001582559032 1344763273 /nfs/dbraw/zinc/76/32/73/1344763273.db2.gz MIIIGDMPEHYXPN-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)c(Cl)c1 ZINC001582559032 1344763279 /nfs/dbraw/zinc/76/32/79/1344763279.db2.gz MIIIGDMPEHYXPN-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC001582649947 1344777093 /nfs/dbraw/zinc/77/70/93/1344777093.db2.gz JVODOYMMFLFYHM-UHFFFAOYSA-N -1 1 345.366 2.360 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@]12C[C@H]1CCC2 ZINC001582653546 1344778061 /nfs/dbraw/zinc/77/80/61/1344778061.db2.gz JXTFEXKUCAJVQW-BLTYZCFWSA-N -1 1 325.785 2.041 20 0 EEADMM OCCc1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001582813882 1344795102 /nfs/dbraw/zinc/79/51/02/1344795102.db2.gz HIXIINYAPWXUBG-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM OCCc1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001582813882 1344795107 /nfs/dbraw/zinc/79/51/07/1344795107.db2.gz HIXIINYAPWXUBG-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM c1ccc2c(c1)O[C@H](CNc1cccc(-c3nnn[n-]3)n1)CS2 ZINC001582817520 1344796292 /nfs/dbraw/zinc/79/62/92/1344796292.db2.gz LRZXSTJPUGYHAD-SNVBAGLBSA-N -1 1 326.385 2.227 20 0 EEADMM c1ccc2c(c1)O[C@H](CNc1cccc(-c3nn[n-]n3)n1)CS2 ZINC001582817520 1344796296 /nfs/dbraw/zinc/79/62/96/1344796296.db2.gz LRZXSTJPUGYHAD-SNVBAGLBSA-N -1 1 326.385 2.227 20 0 EEADMM CC(=Cc1ccco1)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588772784 1348934580 /nfs/dbraw/zinc/93/45/80/1348934580.db2.gz RPTDXSYUMGCOPV-UITAMQMPSA-N -1 1 345.309 2.458 20 0 EEADMM CC(=Cc1ccco1)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588772784 1348934583 /nfs/dbraw/zinc/93/45/83/1348934583.db2.gz RPTDXSYUMGCOPV-UITAMQMPSA-N -1 1 345.309 2.458 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1nc(-c3nnn[n-]3)ccc1C)CC2 ZINC001588878891 1348939718 /nfs/dbraw/zinc/93/97/18/1348939718.db2.gz ODTNUNDPUJXZAN-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1nc(-c3nn[n-]n3)ccc1C)CC2 ZINC001588878891 1348939722 /nfs/dbraw/zinc/93/97/22/1348939722.db2.gz ODTNUNDPUJXZAN-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001589102336 1348959710 /nfs/dbraw/zinc/95/97/10/1348959710.db2.gz IWKCCIOLNDZRMY-CYBMUJFWSA-N -1 1 347.394 2.283 20 0 EEADMM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001589102336 1348959712 /nfs/dbraw/zinc/95/97/12/1348959712.db2.gz IWKCCIOLNDZRMY-CYBMUJFWSA-N -1 1 347.394 2.283 20 0 EEADMM CC(C)(C)OC(=O)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589154684 1348966324 /nfs/dbraw/zinc/96/63/24/1348966324.db2.gz DSRHQFOAWGIRRH-UHFFFAOYSA-N -1 1 344.400 2.244 20 0 EEADMM CC(C)(C)c1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001589227740 1348972296 /nfs/dbraw/zinc/97/22/96/1348972296.db2.gz JUUYYNNKTYYILB-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM CC(C)(C)c1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001589227740 1348972298 /nfs/dbraw/zinc/97/22/98/1348972298.db2.gz JUUYYNNKTYYILB-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589500289 1348997458 /nfs/dbraw/zinc/99/74/58/1348997458.db2.gz YYQYVFLDIILKSJ-YPMHNXCESA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589500289 1348997462 /nfs/dbraw/zinc/99/74/62/1348997462.db2.gz YYQYVFLDIILKSJ-YPMHNXCESA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589507436 1348998637 /nfs/dbraw/zinc/99/86/37/1348998637.db2.gz KVPWUOXLESVQLD-HNNXBMFYSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)[C@@H]1CCCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589507436 1348998641 /nfs/dbraw/zinc/99/86/41/1348998641.db2.gz KVPWUOXLESVQLD-HNNXBMFYSA-N -1 1 328.420 2.231 20 0 EEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589803806 1349048157 /nfs/dbraw/zinc/04/81/57/1349048157.db2.gz RUMOORIMFGRCOM-BXKDBHETSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589803806 1349048160 /nfs/dbraw/zinc/04/81/60/1349048160.db2.gz RUMOORIMFGRCOM-BXKDBHETSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589899879 1349057567 /nfs/dbraw/zinc/05/75/67/1349057567.db2.gz RJDZRKJBSRCWRN-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589899879 1349057572 /nfs/dbraw/zinc/05/75/72/1349057572.db2.gz RJDZRKJBSRCWRN-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(-n2cccn2)cc1 ZINC001589980064 1349091396 /nfs/dbraw/zinc/09/13/96/1349091396.db2.gz HDGAWXHKZOHBJN-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(-n2cccn2)cc1 ZINC001589980064 1349091403 /nfs/dbraw/zinc/09/14/03/1349091403.db2.gz HDGAWXHKZOHBJN-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590181403 1349185485 /nfs/dbraw/zinc/18/54/85/1349185485.db2.gz PKMXJDFOGZJODD-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590181403 1349185490 /nfs/dbraw/zinc/18/54/90/1349185490.db2.gz PKMXJDFOGZJODD-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590215776 1349203197 /nfs/dbraw/zinc/20/31/97/1349203197.db2.gz XPQLWKIPBMRCBC-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590215776 1349203199 /nfs/dbraw/zinc/20/31/99/1349203199.db2.gz XPQLWKIPBMRCBC-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590245241 1349223952 /nfs/dbraw/zinc/22/39/52/1349223952.db2.gz YENHDOVOVMFMKE-IUCAKERBSA-N -1 1 336.346 2.053 20 0 EEADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590245241 1349223955 /nfs/dbraw/zinc/22/39/55/1349223955.db2.gz YENHDOVOVMFMKE-IUCAKERBSA-N -1 1 336.346 2.053 20 0 EEADMM CC[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)(F)F ZINC001590449493 1349330086 /nfs/dbraw/zinc/33/00/86/1349330086.db2.gz UXTXEFCWKWJENN-MRVPVSSYSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)(F)F ZINC001590449493 1349330091 /nfs/dbraw/zinc/33/00/91/1349330091.db2.gz UXTXEFCWKWJENN-MRVPVSSYSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H](O)c1ccccc1 ZINC001590459441 1349337693 /nfs/dbraw/zinc/33/76/93/1349337693.db2.gz KDNQUERXOMJEBO-JSGCOSHPSA-N -1 1 343.412 2.170 20 0 EEADMM CCc1nc(NCCc2cccc3cccnc32)cc(-c2nnn[n-]2)n1 ZINC001590922674 1349412628 /nfs/dbraw/zinc/41/26/28/1349412628.db2.gz VAEVTDSIIFSHAO-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CCc1nc(NCCc2cccc3cccnc32)cc(-c2nn[n-]n2)n1 ZINC001590922674 1349412634 /nfs/dbraw/zinc/41/26/34/1349412634.db2.gz VAEVTDSIIFSHAO-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CCc1nc(NCc2c(Cl)cccc2OC)cc(-c2nnn[n-]2)n1 ZINC001590923179 1349413564 /nfs/dbraw/zinc/41/35/64/1349413564.db2.gz XFPXDNXAWHIGEA-UHFFFAOYSA-N -1 1 345.794 2.493 20 0 EEADMM CCc1nc(NCc2c(Cl)cccc2OC)cc(-c2nn[n-]n2)n1 ZINC001590923179 1349413574 /nfs/dbraw/zinc/41/35/74/1349413574.db2.gz XFPXDNXAWHIGEA-UHFFFAOYSA-N -1 1 345.794 2.493 20 0 EEADMM CCc1nc(NCc2ccc(OC)c(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001590923189 1349413800 /nfs/dbraw/zinc/41/38/00/1349413800.db2.gz YEKMHNZWDNIJFO-UHFFFAOYSA-N -1 1 345.794 2.493 20 0 EEADMM CCc1nc(NCc2ccc(OC)c(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001590923189 1349413816 /nfs/dbraw/zinc/41/38/16/1349413816.db2.gz YEKMHNZWDNIJFO-UHFFFAOYSA-N -1 1 345.794 2.493 20 0 EEADMM CCc1nc(Sc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)n[nH]1 ZINC001590934010 1349420447 /nfs/dbraw/zinc/42/04/47/1349420447.db2.gz QEUZNLVYIYQSBM-UHFFFAOYSA-N -1 1 342.310 2.112 20 0 EEADMM CN(C)c1ncccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591036108 1349434264 /nfs/dbraw/zinc/43/42/64/1349434264.db2.gz FWLGGBUAPVYWDN-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1ncccc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591036108 1349434269 /nfs/dbraw/zinc/43/42/69/1349434269.db2.gz FWLGGBUAPVYWDN-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591159559 1349444190 /nfs/dbraw/zinc/44/41/90/1349444190.db2.gz OOSWPURAGSPSSI-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591159559 1349444200 /nfs/dbraw/zinc/44/42/00/1349444200.db2.gz OOSWPURAGSPSSI-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM COCCOc1cccc(CNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC001591445702 1349485396 /nfs/dbraw/zinc/48/53/96/1349485396.db2.gz RDCWGIYBPVXCSK-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591604850 1349512477 /nfs/dbraw/zinc/51/24/77/1349512477.db2.gz KSLDTDOXJIFRCR-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591604850 1349512482 /nfs/dbraw/zinc/51/24/82/1349512482.db2.gz KSLDTDOXJIFRCR-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001591615128 1349515572 /nfs/dbraw/zinc/51/55/72/1349515572.db2.gz VMPNFVPYNMUYOH-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001591615128 1349515581 /nfs/dbraw/zinc/51/55/81/1349515581.db2.gz VMPNFVPYNMUYOH-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM CSCC1(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001591696387 1349529994 /nfs/dbraw/zinc/52/99/94/1349529994.db2.gz SQUKMTWWKQRZTN-UHFFFAOYSA-N -1 1 344.853 2.448 20 0 EEADMM COc1ccccc1[C@@H](C)CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591646388 1349524550 /nfs/dbraw/zinc/52/45/50/1349524550.db2.gz LPENRHZHXZHOEA-VIFPVBQESA-N -1 1 341.375 2.039 20 0 EEADMM Cc1cc(Br)ncc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591905841 1349554912 /nfs/dbraw/zinc/55/49/12/1349554912.db2.gz KWFRZOOVCZXDKC-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cc(Br)ncc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591905841 1349554918 /nfs/dbraw/zinc/55/49/18/1349554918.db2.gz KWFRZOOVCZXDKC-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cc(C)nc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC001591957278 1349567544 /nfs/dbraw/zinc/56/75/44/1349567544.db2.gz XNFJZDBKDGIQGL-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1cc(C)nc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC001591957278 1349567555 /nfs/dbraw/zinc/56/75/55/1349567555.db2.gz XNFJZDBKDGIQGL-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC001592030763 1349584493 /nfs/dbraw/zinc/58/44/93/1349584493.db2.gz FCVCFXBXOJOPTJ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC001592030763 1349584501 /nfs/dbraw/zinc/58/45/01/1349584501.db2.gz FCVCFXBXOJOPTJ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001592110681 1349593574 /nfs/dbraw/zinc/59/35/74/1349593574.db2.gz SEJUOHNXMRKVJP-UONOGXRCSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2c2cccc(F)c2)n1 ZINC001592340807 1349623127 /nfs/dbraw/zinc/62/31/27/1349623127.db2.gz ISNGBKGXHZKEQI-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2c2cccc(F)c2)n1 ZINC001592340807 1349623130 /nfs/dbraw/zinc/62/31/30/1349623130.db2.gz ISNGBKGXHZKEQI-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1nc(-c2nn[n-]n2)sc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC001592341241 1349623232 /nfs/dbraw/zinc/62/32/32/1349623232.db2.gz TXJQUVQNOQYDDR-LBPRGKRZSA-N -1 1 329.385 2.466 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc(C(C)C)n2)c1-c1nnn[n-]1 ZINC001592468064 1349634728 /nfs/dbraw/zinc/63/47/28/1349634728.db2.gz ZRHWTFIKRRDAHQ-UHFFFAOYSA-N -1 1 343.416 2.427 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592468064 1349634729 /nfs/dbraw/zinc/63/47/29/1349634729.db2.gz ZRHWTFIKRRDAHQ-UHFFFAOYSA-N -1 1 343.416 2.427 20 0 EEADMM Cc1nsc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001592472176 1349634766 /nfs/dbraw/zinc/63/47/66/1349634766.db2.gz UEYLHFZJDKFBHZ-SVRRBLITSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1nsc(N2CCOc3cccc(F)c3C2)c1-c1nn[n-]n1 ZINC001592476553 1349635766 /nfs/dbraw/zinc/63/57/66/1349635766.db2.gz UIPRCUJGZDKYDH-UHFFFAOYSA-N -1 1 332.364 2.170 20 0 EEADMM Cc1nsc(N[C@H](C)CNC(=O)/C=C/C(C)(C)C)c1-c1nn[n-]n1 ZINC001592484663 1349636286 /nfs/dbraw/zinc/63/62/86/1349636286.db2.gz QJCOZDKJMNOIEB-XCODYQFDSA-N -1 1 349.464 2.151 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1cccc(-n2cccn2)c1 ZINC001592504937 1349642892 /nfs/dbraw/zinc/64/28/92/1349642892.db2.gz NICJQHVNYROVNV-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1cccc(-n2cccn2)c1 ZINC001592504937 1349642895 /nfs/dbraw/zinc/64/28/95/1349642895.db2.gz NICJQHVNYROVNV-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Clc1ccc2c(c1NCc1ccnc(-c3nnn[n-]3)c1)CCO2 ZINC001592532823 1349649749 /nfs/dbraw/zinc/64/97/49/1349649749.db2.gz FBGVQAZAMIQPKJ-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1ccc2c(c1NCc1ccnc(-c3nn[n-]n3)c1)CCO2 ZINC001592532823 1349649761 /nfs/dbraw/zinc/64/97/61/1349649761.db2.gz FBGVQAZAMIQPKJ-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1sc(NC[C@@H]2CSCCS2)nc1-c1nn[n-]n1 ZINC001592543428 1349655040 /nfs/dbraw/zinc/65/50/40/1349655040.db2.gz NSMUQHWBXMYJHG-RXMQYKEDSA-N -1 1 334.883 2.237 20 0 EEADMM Cn1c(COC(=O)c2sccc2-c2nn[n-]n2)nc2ccccc21 ZINC001592554885 1349657305 /nfs/dbraw/zinc/65/73/05/1349657305.db2.gz YCFKECWQZJPUHG-UHFFFAOYSA-N -1 1 340.368 2.172 20 0 EEADMM Cn1cc(CC(=O)OCc2cccnc2-c2nnn[n-]2)c2ccccc21 ZINC001592571285 1349659927 /nfs/dbraw/zinc/65/99/27/1349659927.db2.gz WKHXBTZOMUPWLT-UHFFFAOYSA-N -1 1 348.366 2.039 20 0 EEADMM Cn1cc(CC(=O)OCc2cccnc2-c2nn[n-]n2)c2ccccc21 ZINC001592571285 1349659929 /nfs/dbraw/zinc/65/99/29/1349659929.db2.gz WKHXBTZOMUPWLT-UHFFFAOYSA-N -1 1 348.366 2.039 20 0 EEADMM FC(F)(F)c1ccncc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001592621174 1349675868 /nfs/dbraw/zinc/67/58/68/1349675868.db2.gz HBPJYYJJVACXHR-UHFFFAOYSA-N -1 1 341.322 2.027 20 0 EEADMM FC(F)(F)c1ccncc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001592621174 1349675873 /nfs/dbraw/zinc/67/58/73/1349675873.db2.gz HBPJYYJJVACXHR-UHFFFAOYSA-N -1 1 341.322 2.027 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592623393 1349676977 /nfs/dbraw/zinc/67/69/77/1349676977.db2.gz NJGMXFAVKYISNF-RXMQYKEDSA-N -1 1 336.755 2.185 20 0 EEADMM FC(F)OCCCNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592623354 1349676272 /nfs/dbraw/zinc/67/62/72/1349676272.db2.gz MNNAUZBEXZCQIP-UHFFFAOYSA-N -1 1 338.240 2.322 20 0 EEADMM FC(F)OCCCNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592623354 1349676275 /nfs/dbraw/zinc/67/62/75/1349676275.db2.gz MNNAUZBEXZCQIP-UHFFFAOYSA-N -1 1 338.240 2.322 20 0 EEADMM O=C(CC1CC(F)(F)C1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592810441 1349716326 /nfs/dbraw/zinc/71/63/26/1349716326.db2.gz JARXZDIHCNNOMZ-UHFFFAOYSA-N -1 1 343.284 2.197 20 0 EEADMM O=C(CC1CC(F)(F)C1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592810441 1349716333 /nfs/dbraw/zinc/71/63/33/1349716333.db2.gz JARXZDIHCNNOMZ-UHFFFAOYSA-N -1 1 343.284 2.197 20 0 EEADMM O=C(CCCOc1ccccc1Cl)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592838452 1349718653 /nfs/dbraw/zinc/71/86/53/1349718653.db2.gz WVHKGSKEOLPYGN-UHFFFAOYSA-N -1 1 347.766 2.041 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccsc1-c1nnn[n-]1 ZINC001592997391 1349732661 /nfs/dbraw/zinc/73/26/61/1349732661.db2.gz UIHBHIYSXWYOKB-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccsc1-c1nn[n-]n1 ZINC001592997391 1349732664 /nfs/dbraw/zinc/73/26/64/1349732664.db2.gz UIHBHIYSXWYOKB-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(Nc1cnc(CC2CC2)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593258022 1349753161 /nfs/dbraw/zinc/75/31/61/1349753161.db2.gz ADLXZGKDOZRNME-UHFFFAOYSA-N -1 1 339.334 2.001 20 0 EEADMM O=C(Nc1cnc(CC2CC2)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593258022 1349753165 /nfs/dbraw/zinc/75/31/65/1349753165.db2.gz ADLXZGKDOZRNME-UHFFFAOYSA-N -1 1 339.334 2.001 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593260872 1349754312 /nfs/dbraw/zinc/75/43/12/1349754312.db2.gz FVLJIMPUOBEJAH-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593260872 1349754313 /nfs/dbraw/zinc/75/43/13/1349754313.db2.gz FVLJIMPUOBEJAH-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C([O-])[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)CC1CCCC1 ZINC001593276810 1349759830 /nfs/dbraw/zinc/75/98/30/1349759830.db2.gz TWFNOAVVLWAXMW-LBPRGKRZSA-N -1 1 335.433 2.299 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(OC2CCCC2)CC1 ZINC001593340217 1349784949 /nfs/dbraw/zinc/78/49/49/1349784949.db2.gz GMCVPCYQTQSXJD-UHFFFAOYSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(OC2CCCC2)CC1 ZINC001593340217 1349784953 /nfs/dbraw/zinc/78/49/53/1349784953.db2.gz GMCVPCYQTQSXJD-UHFFFAOYSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCS[C@H](c2ccccc2)C1 ZINC001593369223 1349791926 /nfs/dbraw/zinc/79/19/26/1349791926.db2.gz FYFGGAYDZDSMLY-AWEZNQCLSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCS[C@H](c2ccccc2)C1 ZINC001593369223 1349791931 /nfs/dbraw/zinc/79/19/31/1349791931.db2.gz FYFGGAYDZDSMLY-AWEZNQCLSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(c2ccccn2)CC1 ZINC001593371232 1349792578 /nfs/dbraw/zinc/79/25/78/1349792578.db2.gz PFLNERIDOUFXSK-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=S(=O)(Oc1ccccc1Cl)c1ccsc1-c1nn[n-]n1 ZINC001593450461 1349801516 /nfs/dbraw/zinc/80/15/16/1349801516.db2.gz WDJFWZLNUHFVRV-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1CC1CCC(c2ccccc2)CC1 ZINC001593493433 1349818558 /nfs/dbraw/zinc/81/85/58/1349818558.db2.gz HKQXOHYEKPYLSN-UHFFFAOYSA-N -1 1 336.399 2.397 20 0 EEADMM c1c(NC[C@H]2CCC3(CCC3)CO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543094 1349838465 /nfs/dbraw/zinc/83/84/65/1349838465.db2.gz BFAAUSKXRRBEMD-GFCCVEGCSA-N -1 1 341.419 2.295 20 0 EEADMM c1c(NC[C@H]2CCC3(CCC3)CO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543094 1349838469 /nfs/dbraw/zinc/83/84/69/1349838469.db2.gz BFAAUSKXRRBEMD-GFCCVEGCSA-N -1 1 341.419 2.295 20 0 EEADMM c1ccc2c(c1)CC(c1noc(-c3cccc(-c4nnn[n-]4)n3)n1)C2 ZINC001593549994 1349843537 /nfs/dbraw/zinc/84/35/37/1349843537.db2.gz KEOLKZSNVRVHRZ-UHFFFAOYSA-N -1 1 331.339 2.194 20 0 EEADMM c1ccc2c(c1)CC(c1noc(-c3cccc(-c4nn[n-]n4)n3)n1)C2 ZINC001593549994 1349843543 /nfs/dbraw/zinc/84/35/43/1349843543.db2.gz KEOLKZSNVRVHRZ-UHFFFAOYSA-N -1 1 331.339 2.194 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCCC[C@@H]2COC(=O)NC2CC2)n1C ZINC001599986035 1349949704 /nfs/dbraw/zinc/94/97/04/1349949704.db2.gz VKTIXXDNCGPVGW-CQSZACIVSA-N -1 1 349.431 2.275 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC001600355093 1350027944 /nfs/dbraw/zinc/02/79/44/1350027944.db2.gz LKDOILOYHCGUSD-INIZCTEOSA-N -1 1 346.427 2.380 20 0 EEADMM Cc1cccc(-c2n[nH]cc2CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)c1 ZINC001600506238 1350068854 /nfs/dbraw/zinc/06/88/54/1350068854.db2.gz OQIQEHPTQYTTFU-UHFFFAOYSA-N -1 1 337.383 2.406 20 0 EEADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001600551432 1350080549 /nfs/dbraw/zinc/08/05/49/1350080549.db2.gz TZZCQMACXIMAKG-BHYGNILZSA-N -1 1 330.428 2.106 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)[C@@H](CO)c1ccccc1 ZINC001600784318 1350136508 /nfs/dbraw/zinc/13/65/08/1350136508.db2.gz HYCVICUGRCNVTQ-KRWDZBQOSA-N -1 1 331.416 2.140 20 0 EEADMM Cn1nc(C(F)(F)F)cc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001601019554 1350191812 /nfs/dbraw/zinc/19/18/12/1350191812.db2.gz GZTXSVVJOCWAHN-CQSZACIVSA-N -1 1 342.321 2.314 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cn[nH]c1-c1ccccn1)c1ccccc1 ZINC001601454225 1350287007 /nfs/dbraw/zinc/28/70/07/1350287007.db2.gz AUCBLQYDSDFNER-CYBMUJFWSA-N -1 1 336.351 2.070 20 0 EEADMM O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc(Cl)c2ccccc2c1O ZINC001601525279 1350300422 /nfs/dbraw/zinc/30/04/22/1350300422.db2.gz HUWGVURLUDJMCY-RFAUZJTJSA-N -1 1 349.770 2.418 20 0 EEADMM Cc1ccc(-n2nnnc2SCC(=O)c2ccc([O-])cc2O)cc1 ZINC000003533168 1350309962 /nfs/dbraw/zinc/30/99/62/1350309962.db2.gz WKWFECVGUGMXFK-UHFFFAOYSA-N -1 1 342.380 2.357 20 0 EEADMM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc2[nH]ccc21 ZINC001601585670 1350313594 /nfs/dbraw/zinc/31/35/94/1350313594.db2.gz MNPCGTZWZOOMNR-VIFPVBQESA-N -1 1 339.355 2.268 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692727 1350339683 /nfs/dbraw/zinc/33/96/83/1350339683.db2.gz BEGPTIVBLYMIHK-HQJQHLMTSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001601693744 1350339815 /nfs/dbraw/zinc/33/98/15/1350339815.db2.gz MGVCURFROZOTOK-QOSJWCAFSA-N -1 1 330.167 2.224 20 0 EEADMM O=C([O-])[C@]1(C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1c1ccccc1 ZINC001601701432 1350342371 /nfs/dbraw/zinc/34/23/71/1350342371.db2.gz NTKUSGOMLPICEI-IFXJQAMLSA-N -1 1 335.363 2.438 20 0 EEADMM O=C([O-])C12CC(C1)CN2Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001601728324 1350349159 /nfs/dbraw/zinc/34/91/59/1350349159.db2.gz LLGXWNYFWVQGFM-UHFFFAOYSA-N -1 1 336.754 2.109 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CCN(C/C=C\c3ccccc3)CC2)C1(F)F ZINC001601747328 1350355083 /nfs/dbraw/zinc/35/50/83/1350355083.db2.gz CRDUZLNOPZBDGS-HTEAGGNKSA-N -1 1 336.382 2.283 20 0 EEADMM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C[C@H](O)c1ccc(F)c(F)c1 ZINC001601864938 1350384737 /nfs/dbraw/zinc/38/47/37/1350384737.db2.gz UBXSAJXIUSDUSF-SJORKVTESA-N -1 1 349.333 2.215 20 0 EEADMM O=C([O-])CCN(Cc1ccccc1)Cn1cc(-c2ccncn2)cn1 ZINC001602008498 1350417540 /nfs/dbraw/zinc/41/75/40/1350417540.db2.gz PQZWLUBBIBXBCO-UHFFFAOYSA-N -1 1 337.383 2.275 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001602269988 1350481987 /nfs/dbraw/zinc/48/19/87/1350481987.db2.gz VXPFZLPIZJHGMH-AWEZNQCLSA-N -1 1 340.314 2.161 20 0 EEADMM O=C([O-])c1ccc(C(=O)CSc2nc(-c3ccccc3O)n[nH]2)o1 ZINC001602316421 1350491948 /nfs/dbraw/zinc/49/19/48/1350491948.db2.gz VUYFQLSKZASKFO-UHFFFAOYSA-N -1 1 345.336 2.444 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2n[nH]c3ccc(Cl)cc32)nc1 ZINC001602343582 1350499707 /nfs/dbraw/zinc/49/97/07/1350499707.db2.gz WXIZXKOHDNRDRR-UHFFFAOYSA-N -1 1 330.731 2.240 20 0 EEADMM O=C([O-])c1ccc(F)c(CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC001602364270 1350504344 /nfs/dbraw/zinc/50/43/44/1350504344.db2.gz XUJJDUGRECZXPJ-MRXNPFEDSA-N -1 1 336.407 2.211 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C[C@@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001602428039 1350517189 /nfs/dbraw/zinc/51/71/89/1350517189.db2.gz CSSMUZXJUSKPHI-QFBILLFUSA-N -1 1 347.411 2.307 20 0 EEADMM O=C([O-])c1cccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1Cl ZINC001602438482 1350520073 /nfs/dbraw/zinc/52/00/73/1350520073.db2.gz SUGVCIZOFOWXMG-LBPRGKRZSA-N -1 1 336.819 2.483 20 0 EEADMM O=C([O-])c1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001602464433 1350525393 /nfs/dbraw/zinc/52/53/93/1350525393.db2.gz LAEOYZRYNKGRIJ-YOEHRIQHSA-N -1 1 346.427 2.006 20 0 EEADMM O=C([O-])c1cnc(COC(=O)[C@@H]2CCCCN2C2CCCC2)cn1 ZINC001602521441 1350537555 /nfs/dbraw/zinc/53/75/55/1350537555.db2.gz FEYOUNLKMMWULK-HNNXBMFYSA-N -1 1 333.388 2.015 20 0 EEADMM O=C([O-])c1nccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC001602573031 1350549300 /nfs/dbraw/zinc/54/93/00/1350549300.db2.gz CSLIXHCTPWXTFZ-AWEZNQCLSA-N -1 1 346.818 2.499 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001602906077 1350602562 /nfs/dbraw/zinc/60/25/62/1350602562.db2.gz LCUGAGJCFQCUMQ-VURMDHGXSA-N -1 1 329.751 2.285 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001603101377 1350639798 /nfs/dbraw/zinc/63/97/98/1350639798.db2.gz RSKUBHPCRLLRAR-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001603101377 1350639802 /nfs/dbraw/zinc/63/98/02/1350639802.db2.gz RSKUBHPCRLLRAR-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)nc2)n1 ZINC001603128368 1350647005 /nfs/dbraw/zinc/64/70/05/1350647005.db2.gz PLEKLHTYPZZKQM-UHFFFAOYSA-N -1 1 346.782 2.119 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)nc2)n1 ZINC001603128368 1350647008 /nfs/dbraw/zinc/64/70/08/1350647008.db2.gz PLEKLHTYPZZKQM-UHFFFAOYSA-N -1 1 346.782 2.119 20 0 EEADMM CC(C)(C)OC(=O)NC(C)(C)CCNc1cccc(-c2nnn[n-]2)n1 ZINC001603139362 1350647837 /nfs/dbraw/zinc/64/78/37/1350647837.db2.gz PJUJWKZPRDQMHL-UHFFFAOYSA-N -1 1 347.423 2.367 20 0 EEADMM CC(C)(C)OC(=O)NC(C)(C)CCNc1cccc(-c2nn[n-]n2)n1 ZINC001603139362 1350647843 /nfs/dbraw/zinc/64/78/43/1350647843.db2.gz PJUJWKZPRDQMHL-UHFFFAOYSA-N -1 1 347.423 2.367 20 0 EEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC001603161525 1350651987 /nfs/dbraw/zinc/65/19/87/1350651987.db2.gz RFPVYLRDEYEJGX-RYUDHWBXSA-N -1 1 347.440 2.065 20 0 EEADMM CC(C)CCOc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001603283029 1350679249 /nfs/dbraw/zinc/67/92/49/1350679249.db2.gz MYNPLQHHTXXVDO-UHFFFAOYSA-N -1 1 325.376 2.247 20 0 EEADMM CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001603398910 1350700847 /nfs/dbraw/zinc/70/08/47/1350700847.db2.gz IKYVISADVFUHSZ-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001603398910 1350700851 /nfs/dbraw/zinc/70/08/51/1350700851.db2.gz IKYVISADVFUHSZ-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CC(C)n1ncc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1Cl ZINC001603434886 1350704629 /nfs/dbraw/zinc/70/46/29/1350704629.db2.gz ZTWDFJYKIPDIRB-UHFFFAOYSA-N -1 1 338.784 2.006 20 0 EEADMM CC(C)n1ncc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1Cl ZINC001603434886 1350704632 /nfs/dbraw/zinc/70/46/32/1350704632.db2.gz ZTWDFJYKIPDIRB-UHFFFAOYSA-N -1 1 338.784 2.006 20 0 EEADMM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603821400 1350775889 /nfs/dbraw/zinc/77/58/89/1350775889.db2.gz KJEHZBSFLUPIKK-GOSISDBHSA-N -1 1 334.383 2.413 20 0 EEADMM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603821400 1350775896 /nfs/dbraw/zinc/77/58/96/1350775896.db2.gz KJEHZBSFLUPIKK-GOSISDBHSA-N -1 1 334.383 2.413 20 0 EEADMM CC(C)Cc1ccc([C@H](C)C(=O)N2CCN(CC(=O)[O-])CC2)cc1 ZINC001603848985 1350781772 /nfs/dbraw/zinc/78/17/72/1350781772.db2.gz GSOLHEMTKPUNNG-HNNXBMFYSA-N -1 1 332.444 2.217 20 0 EEADMM C[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@H](CC(F)(F)F)O1 ZINC001603935535 1350805449 /nfs/dbraw/zinc/80/54/49/1350805449.db2.gz GUTYJWLQQJRJIL-SCZZXKLOSA-N -1 1 347.366 2.470 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC001603941400 1350809005 /nfs/dbraw/zinc/80/90/05/1350809005.db2.gz OHTQXHITPUQOIY-HZMBPMFUSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC001603941400 1350809010 /nfs/dbraw/zinc/80/90/10/1350809010.db2.gz OHTQXHITPUQOIY-HZMBPMFUSA-N -1 1 328.401 2.290 20 0 EEADMM CC(C)c1ccccc1OCC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001604010175 1350829392 /nfs/dbraw/zinc/82/93/92/1350829392.db2.gz VOYFOYKJKVPIFG-OAHLLOKOSA-N -1 1 348.443 2.196 20 0 EEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604041530 1350837080 /nfs/dbraw/zinc/83/70/80/1350837080.db2.gz DBSPUBKPKAMWQE-CQSZACIVSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604041530 1350837086 /nfs/dbraw/zinc/83/70/86/1350837086.db2.gz DBSPUBKPKAMWQE-CQSZACIVSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)[C@@H](O)C(C)C ZINC001604064312 1350843857 /nfs/dbraw/zinc/84/38/57/1350843857.db2.gz QCJLDXMJBOZDHT-SKDRFNHKSA-N -1 1 344.341 2.488 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)[C@@H](O)C(C)C ZINC001604064312 1350843859 /nfs/dbraw/zinc/84/38/59/1350843859.db2.gz QCJLDXMJBOZDHT-SKDRFNHKSA-N -1 1 344.341 2.488 20 0 EEADMM C[C@@](CC(=O)[O-])(NCc1[nH]nc2c1COCC2)c1cccc(F)c1 ZINC001604091545 1350853610 /nfs/dbraw/zinc/85/36/10/1350853610.db2.gz SLTDTEWYSWXACC-KRWDZBQOSA-N -1 1 333.363 2.101 20 0 EEADMM CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604099850 1350857196 /nfs/dbraw/zinc/85/71/96/1350857196.db2.gz IWCNSQNXIBVIRU-MNOVXSKESA-N -1 1 349.464 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CCn1c(C)cc(C(=O)OCc2cccnc2-c2nnn[n-]2)c1C ZINC001604594858 1350967168 /nfs/dbraw/zinc/96/71/68/1350967168.db2.gz GKEKCQFPBYQOEQ-UHFFFAOYSA-N -1 1 326.360 2.057 20 0 EEADMM CCn1c(C)cc(C(=O)OCc2cccnc2-c2nn[n-]n2)c1C ZINC001604594858 1350967170 /nfs/dbraw/zinc/96/71/70/1350967170.db2.gz GKEKCQFPBYQOEQ-UHFFFAOYSA-N -1 1 326.360 2.057 20 0 EEADMM CN(C(=O)c1ccnc(-c2ccco2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604660068 1350979739 /nfs/dbraw/zinc/97/97/39/1350979739.db2.gz AAWGMTOLVQYMIB-UHFFFAOYSA-N -1 1 347.338 2.193 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CC(c2ccccc2)C1 ZINC001604791136 1351004508 /nfs/dbraw/zinc/00/45/08/1351004508.db2.gz QPSASSDXVGIESW-ODIFPOPNSA-N -1 1 345.443 2.123 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(Cl)c1F ZINC001604792970 1351005004 /nfs/dbraw/zinc/00/50/04/1351005004.db2.gz KRZSYAIXRRHVAD-SECBINFHSA-N -1 1 346.761 2.239 20 0 EEADMM CCC(=O)N1CCCN(CCOc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC001604857207 1351020074 /nfs/dbraw/zinc/02/00/74/1351020074.db2.gz IBBQEZRRQGKSHM-RMKNXTFCSA-N -1 1 346.427 2.108 20 0 EEADMM CCC1CCC(NCC(=O)N2C[C@@H](C)OC(C)(C)C2)(C(=O)[O-])CC1 ZINC001605157722 1351090997 /nfs/dbraw/zinc/09/09/97/1351090997.db2.gz YFVMGMBTYOERBW-WRSVWVKZSA-N -1 1 340.464 2.026 20 0 EEADMM CCCCCC[C@](O)(CN1CC[S@](=O)C(C)(C)CC1)C(=O)[O-] ZINC001605265824 1351120201 /nfs/dbraw/zinc/12/02/01/1351120201.db2.gz NOYQTJSILHMKOT-AOMKIAJQSA-N -1 1 333.494 2.006 20 0 EEADMM COc1ccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1F ZINC001605287061 1351125089 /nfs/dbraw/zinc/12/50/89/1351125089.db2.gz CJWHAQAGKHUSPY-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM COc1ccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1F ZINC001605287061 1351125091 /nfs/dbraw/zinc/12/50/91/1351125091.db2.gz CJWHAQAGKHUSPY-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM CCCc1cnc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)s1 ZINC001605378099 1351149096 /nfs/dbraw/zinc/14/90/96/1351149096.db2.gz MHVBDEMYBBRNAB-LLVKDONJSA-N -1 1 340.449 2.108 20 0 EEADMM C[C@H]1CC[C@@](C)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001605443829 1351158563 /nfs/dbraw/zinc/15/85/63/1351158563.db2.gz IZNDYPAFRBLGFH-GTNSWQLSSA-N -1 1 328.420 2.340 20 0 EEADMM C[C@H]1CC[C@@](C)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001605443829 1351158567 /nfs/dbraw/zinc/15/85/67/1351158567.db2.gz IZNDYPAFRBLGFH-GTNSWQLSSA-N -1 1 328.420 2.340 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cccc3ccccc32)nn1C ZINC001605465590 1351163932 /nfs/dbraw/zinc/16/39/32/1351163932.db2.gz NOQMZPYLKFMEAV-UHFFFAOYSA-N -1 1 347.382 2.243 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cccc3ccccc32)nn1C ZINC001605465590 1351163935 /nfs/dbraw/zinc/16/39/35/1351163935.db2.gz NOQMZPYLKFMEAV-UHFFFAOYSA-N -1 1 347.382 2.243 20 0 EEADMM Cc1c(-c2nnn[n-]2)nn(-c2ccccc2)c1NC(=O)CCC1CC1 ZINC001605468257 1351164357 /nfs/dbraw/zinc/16/43/57/1351164357.db2.gz OYORUIYARGHUMB-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM Cc1c(-c2nn[n-]n2)nn(-c2ccccc2)c1NC(=O)CCC1CC1 ZINC001605468257 1351164359 /nfs/dbraw/zinc/16/43/59/1351164359.db2.gz OYORUIYARGHUMB-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM CCOC(=O)c1c(C)[nH]c(C(=O)CN(CCC(=O)[O-])C(C)C)c1C ZINC001605562369 1351190968 /nfs/dbraw/zinc/19/09/68/1351190968.db2.gz XNGCFVPTKROPOK-UHFFFAOYSA-N -1 1 338.404 2.176 20 0 EEADMM CCOC(=O)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)[nH]1 ZINC001605571494 1351191807 /nfs/dbraw/zinc/19/18/07/1351191807.db2.gz QDCFTYVTVXRFFZ-QGZVFWFLSA-N -1 1 331.372 2.066 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001605872578 1351242615 /nfs/dbraw/zinc/24/26/15/1351242615.db2.gz YESLQBCTRKFEFF-KGLIPLIRSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001605872578 1351242616 /nfs/dbraw/zinc/24/26/16/1351242616.db2.gz YESLQBCTRKFEFF-KGLIPLIRSA-N -1 1 337.387 2.297 20 0 EEADMM CCc1oc2ccccc2c1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001605892409 1351248139 /nfs/dbraw/zinc/24/81/39/1351248139.db2.gz PSZYBIAYHWXPEI-CQSZACIVSA-N -1 1 330.384 2.160 20 0 EEADMM Cc1[nH]nc(NCc2cccc3c2OC(C)(C)C3)c1-c1nnn[n-]1 ZINC001606013767 1351263807 /nfs/dbraw/zinc/26/38/07/1351263807.db2.gz IUAMHFKXJICNAY-UHFFFAOYSA-N -1 1 325.376 2.224 20 0 EEADMM Cc1[nH]nc(NCc2cccc3c2OC(C)(C)C3)c1-c1nn[n-]n1 ZINC001606013767 1351263809 /nfs/dbraw/zinc/26/38/09/1351263809.db2.gz IUAMHFKXJICNAY-UHFFFAOYSA-N -1 1 325.376 2.224 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001606109904 1351272326 /nfs/dbraw/zinc/27/23/26/1351272326.db2.gz CBULQYADJNTHSI-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001606109904 1351272327 /nfs/dbraw/zinc/27/23/27/1351272327.db2.gz CBULQYADJNTHSI-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001606140029 1351278111 /nfs/dbraw/zinc/27/81/11/1351278111.db2.gz XSKLMQUQVOYRLH-UHFFFAOYSA-N -1 1 346.349 2.027 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])cc1Br)CC1(O)CCC1 ZINC001606153716 1351278886 /nfs/dbraw/zinc/27/88/86/1351278886.db2.gz CUWLFNPPGMVFHT-UHFFFAOYSA-N -1 1 328.206 2.494 20 0 EEADMM Clc1nsc(Oc2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC001606200692 1351284522 /nfs/dbraw/zinc/28/45/22/1351284522.db2.gz ALFQMHGHTYRTJQ-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606296142 1351290242 /nfs/dbraw/zinc/29/02/42/1351290242.db2.gz ANKTXZHAIJEPCQ-ZDUSSCGKSA-N -1 1 330.342 2.362 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606296142 1351290244 /nfs/dbraw/zinc/29/02/44/1351290244.db2.gz ANKTXZHAIJEPCQ-ZDUSSCGKSA-N -1 1 330.342 2.362 20 0 EEADMM O=C(N[C@H]1CCOCC12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001606683457 1351341364 /nfs/dbraw/zinc/34/13/64/1351341364.db2.gz PMXJEMDUTRCVNJ-LBPRGKRZSA-N -1 1 333.417 2.007 20 0 EEADMM CO[C@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001606704409 1351344694 /nfs/dbraw/zinc/34/46/94/1351344694.db2.gz YRBHOFGAIPGJPG-MEDUHNTESA-N -1 1 340.807 2.151 20 0 EEADMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606714706 1351345429 /nfs/dbraw/zinc/34/54/29/1351345429.db2.gz LKNFODXVINXDCM-BJOHPYRUSA-N -1 1 332.795 2.225 20 0 EEADMM O=C(NCCCCOCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606766901 1351354284 /nfs/dbraw/zinc/35/42/84/1351354284.db2.gz UDNMPHCQPOBYNB-UHFFFAOYSA-N -1 1 341.371 2.187 20 0 EEADMM O=C(NCCCCOCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606766901 1351354288 /nfs/dbraw/zinc/35/42/88/1351354288.db2.gz UDNMPHCQPOBYNB-UHFFFAOYSA-N -1 1 341.371 2.187 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1([C@H]2CCCCO2)CCC1 ZINC001606897658 1351371258 /nfs/dbraw/zinc/37/12/58/1351371258.db2.gz ICBMWBPKPFDTGH-CQSZACIVSA-N -1 1 343.387 2.250 20 0 EEADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606929134 1351378462 /nfs/dbraw/zinc/37/84/62/1351378462.db2.gz OQWRATUTPBIANJ-UHFFFAOYSA-N -1 1 345.269 2.457 20 0 EEADMM O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001606929087 1351378910 /nfs/dbraw/zinc/37/89/10/1351378910.db2.gz MWEPPXPHWVISLI-UHFFFAOYSA-N -1 1 338.352 2.022 20 0 EEADMM O=C(Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001606929087 1351378914 /nfs/dbraw/zinc/37/89/14/1351378914.db2.gz MWEPPXPHWVISLI-UHFFFAOYSA-N -1 1 338.352 2.022 20 0 EEADMM O=C(OCc1cnc(Cl)s1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606985209 1351392862 /nfs/dbraw/zinc/39/28/62/1351392862.db2.gz PGAMQWLILUMPNC-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(OCc1cnc(Cl)s1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606985209 1351392864 /nfs/dbraw/zinc/39/28/64/1351392864.db2.gz PGAMQWLILUMPNC-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(Cc1cccc(F)c1)C1CC1 ZINC001607020828 1351399067 /nfs/dbraw/zinc/39/90/67/1351399067.db2.gz AQCAQTKAELYUNA-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(Cc1cccc(F)c1)C1CC1 ZINC001607020828 1351399072 /nfs/dbraw/zinc/39/90/72/1351399072.db2.gz AQCAQTKAELYUNA-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@]2(CCc3ccccc32)C1 ZINC001607030563 1351400879 /nfs/dbraw/zinc/40/08/79/1351400879.db2.gz IOLXSHSIMZHAFW-GOSISDBHSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@]2(CCc3ccccc32)C1 ZINC001607030563 1351400881 /nfs/dbraw/zinc/40/08/81/1351400881.db2.gz IOLXSHSIMZHAFW-GOSISDBHSA-N -1 1 335.367 2.190 20 0 EEADMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(Br)c1 ZINC001607056684 1351405348 /nfs/dbraw/zinc/40/53/48/1351405348.db2.gz JAHIYMZBADVVCO-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(Br)c1 ZINC001607056684 1351405350 /nfs/dbraw/zinc/40/53/50/1351405350.db2.gz JAHIYMZBADVVCO-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM COc1cc(CN2CCC[C@@H]2CC(=O)[O-])c(Br)cn1 ZINC001607158131 1351439804 /nfs/dbraw/zinc/43/98/04/1351439804.db2.gz TZHWFJCVIZSTNI-SNVBAGLBSA-N -1 1 329.194 2.292 20 0 EEADMM COc1ccc([C@H](O)C2CCN(Cc3oncc3C(=O)[O-])CC2)cc1 ZINC001607234266 1351455335 /nfs/dbraw/zinc/45/53/35/1351455335.db2.gz DNJBSMXKOYUHHM-KRWDZBQOSA-N -1 1 346.383 2.327 20 0 EEADMM COc1ccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c(OC)c1 ZINC001607254356 1351459523 /nfs/dbraw/zinc/45/95/23/1351459523.db2.gz UUAHRKBYMAEDMI-UHFFFAOYSA-N -1 1 349.427 2.286 20 0 EEADMM COc1cccc(C[C@@H](NCC(=O)Nc2ccccc2C)C(=O)[O-])c1 ZINC001607318221 1351472531 /nfs/dbraw/zinc/47/25/31/1351472531.db2.gz ASWKLIIEPIZZJP-QGZVFWFLSA-N -1 1 342.395 2.228 20 0 EEADMM Cc1cc(CN2CCC(F)(F)[C@H](CO)C2)cc(C)c1OCC(=O)[O-] ZINC001607637698 1351530760 /nfs/dbraw/zinc/53/07/60/1351530760.db2.gz HELXOAHYXJAFEC-AWEZNQCLSA-N -1 1 343.370 2.216 20 0 EEADMM Cc1cc(=NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)cc(C)[nH]1 ZINC001607696734 1351541269 /nfs/dbraw/zinc/54/12/69/1351541269.db2.gz DUCBCPCBPINSSS-VMPITWQZSA-N -1 1 332.381 2.019 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])cc1C ZINC001607750861 1351551605 /nfs/dbraw/zinc/55/16/05/1351551605.db2.gz PVIFCFUZBNBWCB-UAGQMJEPSA-N -1 1 348.443 2.093 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H]2CCc3ncnn32)nc1C(=O)[O-] ZINC001608068264 1351618235 /nfs/dbraw/zinc/61/82/35/1351618235.db2.gz MHXWUOBZLFRZDP-MNOVXSKESA-N -1 1 333.417 2.066 20 0 EEADMM O=C([O-])c1cc2cc(NC(=O)NCCCc3nc[nH]n3)ccc2s1 ZINC001608445478 1351696543 /nfs/dbraw/zinc/69/65/43/1351696543.db2.gz RJCZYJKZBGPQEH-UHFFFAOYSA-N -1 1 345.384 2.472 20 0 EEADMM O=C(NCc1ccccc1-n1cccn1)c1cnc(C2CC2)[n-]c1=O ZINC001623191952 1352393090 /nfs/dbraw/zinc/39/30/90/1352393090.db2.gz NDZKGFSXJDBPIB-UHFFFAOYSA-N -1 1 335.367 2.175 20 0 EEADMM CSc1ncc(C(=O)Nc2cccc(-n3cccn3)c2)c(=O)[n-]1 ZINC001625690849 1352455248 /nfs/dbraw/zinc/45/52/48/1352455248.db2.gz IIQWBVZTYNSINB-UHFFFAOYSA-N -1 1 327.369 2.342 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cn(C)c3ccc(F)cc23)n1 ZINC001629328532 1352551913 /nfs/dbraw/zinc/55/19/13/1352551913.db2.gz HJCVDBKZVONGDW-UHFFFAOYSA-N -1 1 330.319 2.470 20 0 EEADMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc(-c2cccc(O)c2)on1 ZINC001630810773 1352572683 /nfs/dbraw/zinc/57/26/83/1352572683.db2.gz BHCJWJOHACVIMH-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C)c2nc3ccccc3n2C)c(=O)[n-]1 ZINC001634318357 1352625953 /nfs/dbraw/zinc/62/59/53/1352625953.db2.gz XFSFQXBBSZNJQB-VIFPVBQESA-N -1 1 343.412 2.282 20 0 EEADMM CSc1nc(CNC(=O)c2sc3ncccc3c2N)cc(=O)[n-]1 ZINC001640174373 1352706910 /nfs/dbraw/zinc/70/69/10/1352706910.db2.gz MEGWLAUOINUPCU-UHFFFAOYSA-N -1 1 347.425 2.026 20 0 EEADMM CSC[C@@H]1CCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001646686638 1352922164 /nfs/dbraw/zinc/92/21/64/1352922164.db2.gz DIPUEJPQMRZJTD-NSHDSACASA-N -1 1 346.460 2.187 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc2nc[nH]c21 ZINC001648699668 1353439828 /nfs/dbraw/zinc/43/98/28/1353439828.db2.gz GXYZTFIWNOCEJY-AWEZNQCLSA-N -1 1 348.366 2.100 20 0 EEADMM O=C(COC(=O)[C@H]1CCN(c2ccccc2)C1)c1ccc([O-])cc1O ZINC001649830178 1353616107 /nfs/dbraw/zinc/61/61/07/1353616107.db2.gz GBUOGMXFBWAZPR-ZDUSSCGKSA-N -1 1 341.363 2.350 20 0 EEADMM CC[C@@H](C)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001388215076 1387260456 /nfs/dbraw/zinc/26/04/56/1387260456.db2.gz VALKMAJDKAWEIM-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)C1(C2CCCCC2)CC1 ZINC001650460135 1353933219 /nfs/dbraw/zinc/93/32/19/1353933219.db2.gz FZPNVQQCVZNCKI-UHFFFAOYSA-N -1 1 344.415 2.172 20 0 EEADMM CCc1ncncc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001650958699 1354035436 /nfs/dbraw/zinc/03/54/36/1354035436.db2.gz RAMJTTSCBHKUIS-UHFFFAOYSA-N -1 1 344.762 2.435 20 0 EEADMM CCc1ncncc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001650958699 1354035440 /nfs/dbraw/zinc/03/54/40/1354035440.db2.gz RAMJTTSCBHKUIS-UHFFFAOYSA-N -1 1 344.762 2.435 20 0 EEADMM COc1ncccc1CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001663808075 1355036849 /nfs/dbraw/zinc/03/68/49/1355036849.db2.gz NUSGYYLRGVYMCL-UHFFFAOYSA-N -1 1 339.355 2.303 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2n[nH]cc2Br)c(OC)c1 ZINC001190110328 1368395011 /nfs/dbraw/zinc/39/50/11/1368395011.db2.gz MPQHOGMLINFUER-UHFFFAOYSA-N -1 1 342.149 2.147 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CC1Oc2ccccc2O1 ZINC001201767659 1368840984 /nfs/dbraw/zinc/84/09/84/1368840984.db2.gz NMNOIJYYUQZKRF-UHFFFAOYSA-N -1 1 346.817 2.181 20 0 EEADMM CCCCOC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757810 1369298123 /nfs/dbraw/zinc/29/81/23/1369298123.db2.gz MYWDZUGHEAEPNI-WOPDTQHZSA-N -1 1 338.370 2.107 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC(C)(C)C1CC1 ZINC001071952074 1370585363 /nfs/dbraw/zinc/58/53/63/1370585363.db2.gz HIFWSZKSBXMKSY-TZMCWYRMSA-N -1 1 345.443 2.190 20 0 EEADMM COc1ccc([C@@H]2CCCN2c2nnc(-c3c[n-][nH]c3=O)n2C)cc1 ZINC001121469788 1371884728 /nfs/dbraw/zinc/88/47/28/1371884728.db2.gz MPELVWDXFWFNPF-AWEZNQCLSA-N -1 1 340.387 2.261 20 0 EEADMM COc1cccc(N2CCN(Cc3ccc([O-])c(F)c3F)CC2)n1 ZINC001140893413 1372705499 /nfs/dbraw/zinc/70/54/99/1372705499.db2.gz PNBOGIOHXZURQZ-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM NC(=O)c1ccc(O[C@H]2CCCN(Cc3ccc(C(=O)[O-])o3)C2)cc1 ZINC001140948673 1372725378 /nfs/dbraw/zinc/72/53/78/1372725378.db2.gz VFVRBWJIWDHYFB-AWEZNQCLSA-N -1 1 344.367 2.120 20 0 EEADMM O=C(c1ccncc1)N1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140990488 1372730806 /nfs/dbraw/zinc/73/08/06/1372730806.db2.gz BTGLUQURDKVDEL-UHFFFAOYSA-N -1 1 333.338 2.023 20 0 EEADMM C[C@@H](Cc1cnn(C)c1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000838431517 1372845700 /nfs/dbraw/zinc/84/57/00/1372845700.db2.gz UNSOSRQPLXBVDO-NSHDSACASA-N -1 1 342.351 2.154 20 0 EEADMM CC[C@@H](SC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340858 1373136603 /nfs/dbraw/zinc/13/66/03/1373136603.db2.gz HCSXPKOWAZJEKA-OPRDCNLKSA-N -1 1 326.384 2.186 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2nnn[n-]2)c2ccccc21 ZINC001362003335 1373359143 /nfs/dbraw/zinc/35/91/43/1373359143.db2.gz HDRYBYJNWDXUDQ-JTQLQIEISA-N -1 1 344.375 2.067 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@H](CC(=O)Nc2nn[n-]n2)c2ccccc21 ZINC001362003335 1373359152 /nfs/dbraw/zinc/35/91/52/1373359152.db2.gz HDRYBYJNWDXUDQ-JTQLQIEISA-N -1 1 344.375 2.067 20 0 EEADMM CCC(CC)(NC(=O)C[C@H]1CSc2ccccc2O1)c1nn[n-]n1 ZINC001362626385 1373439198 /nfs/dbraw/zinc/43/91/98/1373439198.db2.gz RNZYHJXEVBSALZ-NSHDSACASA-N -1 1 347.444 2.275 20 0 EEADMM CSc1ccc([O-])c(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c1 ZINC001363707993 1373544679 /nfs/dbraw/zinc/54/46/79/1373544679.db2.gz LBAUKFXECOLAES-UHFFFAOYSA-N -1 1 331.397 2.463 20 0 EEADMM C[C@@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CC(C)(C)C1 ZINC001367191222 1374120483 /nfs/dbraw/zinc/12/04/83/1374120483.db2.gz MIQIJNMONBXHSH-KZULUSFZSA-N -1 1 349.479 2.101 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C1(F)CCCC1 ZINC001369595049 1374586799 /nfs/dbraw/zinc/58/67/99/1374586799.db2.gz OVQDOUJNMNXWMU-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM CCCCc1nc(CNC[C@@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001374752742 1377040327 /nfs/dbraw/zinc/04/03/27/1377040327.db2.gz XPURBBQKOUPVSL-GFCCVEGCSA-N -1 1 348.472 2.494 20 0 EEADMM Cc1ccc([C@H](C)C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])o1 ZINC001376262518 1378405667 /nfs/dbraw/zinc/40/56/67/1378405667.db2.gz UWWYFYKLBPMYPS-ZDUSSCGKSA-N -1 1 345.399 2.023 20 0 EEADMM CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](CC)C1 ZINC001378172742 1379753385 /nfs/dbraw/zinc/75/33/85/1379753385.db2.gz FTEUQGHWRNUSRU-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CNCc1csc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001379489338 1380722392 /nfs/dbraw/zinc/72/23/92/1380722392.db2.gz CGQMOPTWMDCTEG-JTQLQIEISA-N -1 1 332.429 2.029 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001381990208 1381901152 /nfs/dbraw/zinc/90/11/52/1381901152.db2.gz UKTCOYDGNNOGRL-CYBMUJFWSA-N -1 1 337.468 2.005 20 0 EEADMM COc1ccc(Cl)cc1CN(C)CCNC(=O)c1ncccc1[O-] ZINC001390752394 1388764665 /nfs/dbraw/zinc/76/46/65/1388764665.db2.gz VOGSHNBVBWWRAA-UHFFFAOYSA-N -1 1 349.818 2.311 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)CCCC1CC1)NC(=O)c1ncccc1[O-] ZINC001383560019 1382557930 /nfs/dbraw/zinc/55/79/30/1382557930.db2.gz AATXZSLULOJNRJ-QWHCGFSZSA-N -1 1 333.432 2.381 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001384547907 1384680217 /nfs/dbraw/zinc/68/02/17/1384680217.db2.gz JVSCQZSLKZWLOD-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM CCC1(C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001384904994 1385310242 /nfs/dbraw/zinc/31/02/42/1385310242.db2.gz GXYIVDDFANAYKD-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C(=O)CCC(C)(C)C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385258298 1385406271 /nfs/dbraw/zinc/40/62/71/1385406271.db2.gz ZPYZPCFJUIGDLE-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C1CCC2(CC2)CC1 ZINC001387442893 1386737961 /nfs/dbraw/zinc/73/79/61/1386737961.db2.gz REDFXZAHZHDONI-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001391806085 1389616749 /nfs/dbraw/zinc/61/67/49/1389616749.db2.gz GXWAHQAXHFBDGV-KGLIPLIRSA-N -1 1 333.432 2.144 20 0 EEADMM CCC[C@@](C)(CC)C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001393809216 1390549056 /nfs/dbraw/zinc/54/90/56/1390549056.db2.gz KSCLTDXJUUKVOR-QGZVFWFLSA-N -1 1 333.432 2.382 20 0 EEADMM CCN(C(=O)c1cscc1C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001396302032 1390935685 /nfs/dbraw/zinc/93/56/85/1390935685.db2.gz WJUZFQMSWSSYNF-GFCCVEGCSA-N -1 1 347.440 2.438 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCC2)[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001396561869 1390956243 /nfs/dbraw/zinc/95/62/43/1390956243.db2.gz CADYCRKERBTGJN-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396743539 1390963991 /nfs/dbraw/zinc/96/39/91/1390963991.db2.gz BJLKLTBLLAHTJE-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)C1(C2CCCCC2)CC1 ZINC001397899913 1391541293 /nfs/dbraw/zinc/54/12/93/1391541293.db2.gz WLKRPDCDPGAGEB-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)C)CC1 ZINC001399633143 1395334212 /nfs/dbraw/zinc/33/42/12/1395334212.db2.gz BGIGCCOILWIQLT-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2cnoc2C)C1 ZINC001400113932 1395931099 /nfs/dbraw/zinc/93/10/99/1395931099.db2.gz JDZYOLLDOLQYOF-OAHLLOKOSA-N -1 1 344.415 2.210 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)CCC1(C)CC1 ZINC001423718754 1400766771 /nfs/dbraw/zinc/76/67/71/1400766771.db2.gz AKVXTAPYMCMCKC-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)CC1(C)CC1 ZINC001424000123 1400862118 /nfs/dbraw/zinc/86/21/18/1400862118.db2.gz AENIBXWJPDZEIV-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2CC(C)(C)C)cc1C ZINC001424348242 1401079737 /nfs/dbraw/zinc/07/97/37/1401079737.db2.gz NLQHSODDYAAVSG-WDEREUQCSA-N -1 1 329.418 2.478 20 0 EEADMM O=S(=O)([N-]C/C=C/c1cccnc1)c1ccc(Br)o1 ZINC001424347368 1401080054 /nfs/dbraw/zinc/08/00/54/1401080054.db2.gz GANNRTNUBMKOJE-DUXPYHPUSA-N -1 1 343.202 2.429 20 0 EEADMM CC(C)C1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001426293120 1402026733 /nfs/dbraw/zinc/02/67/33/1402026733.db2.gz WQQVLEQQIZGNFD-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H](CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)C ZINC001427890246 1402551765 /nfs/dbraw/zinc/55/17/65/1402551765.db2.gz CWBNNIOHRQMVMB-DZGCQCFKSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1ccsc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001428523085 1402738067 /nfs/dbraw/zinc/73/80/67/1402738067.db2.gz FGBCMDPHRJWEJT-NWDGAFQWSA-N -1 1 347.440 2.484 20 0 EEADMM CCC[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001433712229 1403425314 /nfs/dbraw/zinc/42/53/14/1403425314.db2.gz KLSKJAIVKXVAMZ-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575486639 1403551190 /nfs/dbraw/zinc/55/11/90/1403551190.db2.gz SCGIPEQTKJDBEM-GFCCVEGCSA-N -1 1 344.419 2.006 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575486639 1403551196 /nfs/dbraw/zinc/55/11/96/1403551196.db2.gz SCGIPEQTKJDBEM-GFCCVEGCSA-N -1 1 344.419 2.006 20 0 EEADMM CCC(=O)N1CCC([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576414982 1403573918 /nfs/dbraw/zinc/57/39/18/1403573918.db2.gz GFOFPCSWWCRNEM-SECBINFHSA-N -1 1 349.464 2.081 20 0 EEADMM CCCC(=O)N[C@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577210202 1403626537 /nfs/dbraw/zinc/62/65/37/1403626537.db2.gz DHMDJQLLRBMCED-QWRGUYRKSA-N -1 1 349.464 2.271 20 0 EEADMM CCOc1ncccc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578408468 1403748070 /nfs/dbraw/zinc/74/80/70/1403748070.db2.gz RZJALJMKLGACDA-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1nccnc1-c1nnn[n-]1 ZINC001580471686 1403859643 /nfs/dbraw/zinc/85/96/43/1403859643.db2.gz YBRMHCNCIIQUIY-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1nccnc1-c1nn[n-]n1 ZINC001580471686 1403859649 /nfs/dbraw/zinc/85/96/49/1403859649.db2.gz YBRMHCNCIIQUIY-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM CCNC(=O)N(C)c1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001590742106 1403890311 /nfs/dbraw/zinc/89/03/11/1403890311.db2.gz ASRMKQVWKRUSDZ-UHFFFAOYSA-N -1 1 338.375 2.171 20 0 EEADMM CCNC(=O)N(C)c1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001590742106 1403890318 /nfs/dbraw/zinc/89/03/18/1403890318.db2.gz ASRMKQVWKRUSDZ-UHFFFAOYSA-N -1 1 338.375 2.171 20 0 EEADMM Cc1cc(Cl)nc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001591977185 1403977638 /nfs/dbraw/zinc/97/76/38/1403977638.db2.gz OFJRNIHZJRHSSD-UHFFFAOYSA-N -1 1 344.766 2.076 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592138244 1404005268 /nfs/dbraw/zinc/00/52/68/1404005268.db2.gz VGNOOPJHCVWLKQ-HZMBPMFUSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592138244 1404005273 /nfs/dbraw/zinc/00/52/73/1404005273.db2.gz VGNOOPJHCVWLKQ-HZMBPMFUSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1noc(Cl)c1CC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592462105 1404700239 /nfs/dbraw/zinc/70/02/39/1404700239.db2.gz AMLVPYIDOXGXGN-UHFFFAOYSA-N -1 1 339.764 2.164 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3ncsc3c2)c1-c1nnn[n-]1 ZINC001592481797 1404700720 /nfs/dbraw/zinc/70/07/20/1404700720.db2.gz HXDDGODPYMULEK-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3ncsc3c2)c1-c1nn[n-]n1 ZINC001592481797 1404700728 /nfs/dbraw/zinc/70/07/28/1404700728.db2.gz HXDDGODPYMULEK-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM Cc1nsc(Nc2cnn(CC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC001592494166 1404704169 /nfs/dbraw/zinc/70/41/69/1404704169.db2.gz NSLXBVXSFBYYTF-UHFFFAOYSA-N -1 1 330.299 2.134 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc2c(s1)CCCC2 ZINC001592500327 1404705014 /nfs/dbraw/zinc/70/50/14/1404705014.db2.gz CXZAVHUURNLRLD-UHFFFAOYSA-N -1 1 344.400 2.033 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc2c(s1)CCCC2 ZINC001592500327 1404705022 /nfs/dbraw/zinc/70/50/22/1404705022.db2.gz CXZAVHUURNLRLD-UHFFFAOYSA-N -1 1 344.400 2.033 20 0 EEADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593028852 1404734827 /nfs/dbraw/zinc/73/48/27/1404734827.db2.gz SLJDTFMANHVCJV-NEPJUHHUSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593028852 1404734831 /nfs/dbraw/zinc/73/48/31/1404734831.db2.gz SLJDTFMANHVCJV-NEPJUHHUSA-N -1 1 327.392 2.210 20 0 EEADMM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)COCc2nn[n-]n2)cc1 ZINC001646230338 1404883761 /nfs/dbraw/zinc/88/37/61/1404883761.db2.gz DPRPVRNTWHJRKI-HNNXBMFYSA-N -1 1 343.431 2.378 20 0 EEADMM CC(C)=C(C)CC(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001756830923 1409382003 /nfs/dbraw/zinc/38/20/03/1409382003.db2.gz HOQMBMVZUBEHOL-UHFFFAOYSA-N -1 1 343.427 2.208 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001771592429 1409844851 /nfs/dbraw/zinc/84/48/51/1409844851.db2.gz LYRJVVFWOKDGQL-UHFFFAOYSA-N -1 1 332.356 2.477 20 0 EEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(CCC(N)=O)cc2)c1 ZINC001771690155 1409915072 /nfs/dbraw/zinc/91/50/72/1409915072.db2.gz SSVYOASCCLLGHB-UHFFFAOYSA-N -1 1 348.424 2.304 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001771792340 1409951211 /nfs/dbraw/zinc/95/12/11/1409951211.db2.gz AOOXARJGLCSYHJ-GFCCVEGCSA-N -1 1 331.372 2.339 20 0 EEADMM CN(C)c1ccnc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001772204899 1410096290 /nfs/dbraw/zinc/09/62/90/1410096290.db2.gz DHGZDSQMJCBEOY-CQSZACIVSA-N -1 1 334.420 2.077 20 0 EEADMM O=C(OCc1nn[n-]n1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001772362283 1410148131 /nfs/dbraw/zinc/14/81/31/1410148131.db2.gz MBXPJRZLGDXKBP-UHFFFAOYSA-N -1 1 330.241 2.133 20 0 EEADMM Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000862269629 1410429979 /nfs/dbraw/zinc/42/99/79/1410429979.db2.gz RTGSCPUDYGRKGB-XHDPSFHLSA-N -1 1 333.363 2.163 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CCCc3c(O)cccc32)n1 ZINC000846649825 790311010 /nfs/dbraw/zinc/31/10/10/790311010.db2.gz AOGGABBFZOXKOQ-LBPRGKRZSA-N -1 1 329.356 2.351 20 0 EEADMM CCc1ccc2nc(-c3cccc(S(=O)(=O)NC)c3)[n-]c(=O)c2c1 ZINC000139583077 757441467 /nfs/dbraw/zinc/44/14/67/757441467.db2.gz OTUDRIMRQUKTCA-UHFFFAOYSA-N -1 1 343.408 2.061 20 0 EEADMM CSc1nc(NC(=O)C=Cc2ccc(OC(C)=O)cc2)cc(=O)[n-]1 ZINC001143503103 765215865 /nfs/dbraw/zinc/21/58/65/765215865.db2.gz VPLRBCGQAAWSPM-VMPITWQZSA-N -1 1 345.380 2.481 20 0 EEADMM CC(C)[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715811 769094515 /nfs/dbraw/zinc/09/45/15/769094515.db2.gz KWPKBVBNFKWKLH-RBSFLKMASA-N -1 1 347.459 2.484 20 0 EEADMM O=C(NCCNCc1coc(-c2cccs2)n1)c1ncccc1[O-] ZINC001126109764 770003564 /nfs/dbraw/zinc/00/35/64/770003564.db2.gz CJPYDBGMHIJCDJ-UHFFFAOYSA-N -1 1 344.396 2.023 20 0 EEADMM CC1(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)CCC1 ZINC000980144363 773942501 /nfs/dbraw/zinc/94/25/01/773942501.db2.gz HFJWTWLUBWDFHW-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000942759151 783148388 /nfs/dbraw/zinc/14/83/88/783148388.db2.gz UNEUUDFWNRIKMC-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cn1 ZINC000181071673 775299197 /nfs/dbraw/zinc/29/91/97/775299197.db2.gz CYJIDLBHYGRZIE-UHFFFAOYSA-N -1 1 333.413 2.273 20 0 EEADMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000159406417 775465028 /nfs/dbraw/zinc/46/50/28/775465028.db2.gz XXSKDJWRCHNQHB-ZDUSSCGKSA-N -1 1 327.352 2.285 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2coc(C3CC3)n2)CC1 ZINC000981027221 776402421 /nfs/dbraw/zinc/40/24/21/776402421.db2.gz WFTXZAUXGLRKAY-UHFFFAOYSA-N -1 1 342.399 2.001 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC000939645227 777058620 /nfs/dbraw/zinc/05/86/20/777058620.db2.gz OWNVGDWYMZVXLY-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM Cc1ccc2ncnc(N[C@H]3CCN(C(=O)c4ncccc4[O-])C3)c2c1 ZINC001058879242 777141250 /nfs/dbraw/zinc/14/12/50/777141250.db2.gz VBYCIZMENUALEW-ZDUSSCGKSA-N -1 1 349.394 2.365 20 0 EEADMM O=C(CCCCC(=O)c1ccccc1)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001143530636 778580933 /nfs/dbraw/zinc/58/09/33/778580933.db2.gz IHAILJVYDZBKSU-UHFFFAOYSA-N -1 1 339.355 2.440 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000946279362 790694987 /nfs/dbraw/zinc/69/49/87/790694987.db2.gz YZIYCHUVCQCPSF-TZMCWYRMSA-N -1 1 345.443 2.238 20 0 EEADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc(Cl)nc1 ZINC000071092096 780617767 /nfs/dbraw/zinc/61/77/67/780617767.db2.gz SWGQSANUNPZXRK-UHFFFAOYSA-N -1 1 335.776 2.117 20 0 EEADMM O=[P@]([O-])(O)C1(N=c2cccc(Cl)n2F)Cc2ccccc2C1 ZINC001167934772 780990932 /nfs/dbraw/zinc/99/09/32/780990932.db2.gz VIPUVEBWZOMVAU-UHFFFAOYSA-N -1 1 342.694 2.448 20 0 EEADMM Cn1cnc2cc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)cnc21 ZINC001167936289 780998953 /nfs/dbraw/zinc/99/89/53/780998953.db2.gz KFLDKFOBWUOUNM-UHFFFAOYSA-N -1 1 344.311 2.053 20 0 EEADMM COc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c(F)cn1 ZINC001167939767 781030982 /nfs/dbraw/zinc/03/09/82/781030982.db2.gz PYPVVFAYEPFNFV-UHFFFAOYSA-N -1 1 338.275 2.314 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001035066787 783632483 /nfs/dbraw/zinc/63/24/83/783632483.db2.gz GXYDUELDSMCJEM-UKRRQHHQSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H](Nc1cc(F)ncn1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001061840100 783751055 /nfs/dbraw/zinc/75/10/55/783751055.db2.gz LNDUPUGELKDJFT-NSHDSACASA-N -1 1 345.378 2.069 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1(C)CC=CC1 ZINC000945278721 783754382 /nfs/dbraw/zinc/75/43/82/783754382.db2.gz IZJFTJFMYAWXMX-KBPBESRZSA-N -1 1 343.427 2.110 20 0 EEADMM CCC(C)(CC)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035255462 784262033 /nfs/dbraw/zinc/26/20/33/784262033.db2.gz VKBKQPJUFVQWRO-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000945600319 784438465 /nfs/dbraw/zinc/43/84/65/784438465.db2.gz JKQHYLOAHWWPJN-UKRRQHHQSA-N -1 1 347.463 2.132 20 0 EEADMM CCSc1ccccc1CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473589 784642267 /nfs/dbraw/zinc/64/22/67/784642267.db2.gz CLWAFYDZRCCYTP-LBPRGKRZSA-N -1 1 349.485 2.171 20 0 EEADMM O=S(=O)([N-]CC[C@H]1CCCC[C@H]1O)c1ccc(F)c(F)c1F ZINC000907477370 784645852 /nfs/dbraw/zinc/64/58/52/784645852.db2.gz FNVUODDIUQECHR-MWLCHTKSSA-N -1 1 337.363 2.323 20 0 EEADMM Cc1csc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1Cl ZINC000907477021 784645964 /nfs/dbraw/zinc/64/59/64/784645964.db2.gz DSMHWTLBPMDZER-ZETCQYMHSA-N -1 1 329.838 2.153 20 0 EEADMM Cn1ccnc1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817295358 784663041 /nfs/dbraw/zinc/66/30/41/784663041.db2.gz ZCRYUQUSCSZJOS-GFCCVEGCSA-N -1 1 338.333 2.030 20 0 EEADMM Cc1ccc2snc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)c2c1 ZINC000907479834 784687785 /nfs/dbraw/zinc/68/77/85/784687785.db2.gz IZGFUKXDYLGLOA-SNVBAGLBSA-N -1 1 346.441 2.048 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945716721 784707374 /nfs/dbraw/zinc/70/73/74/784707374.db2.gz NTAKWKPIDYRVPP-OLZOCXBDSA-N -1 1 343.383 2.051 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1cnccn1)C(F)(F)F ZINC000817417970 784768916 /nfs/dbraw/zinc/76/89/16/784768916.db2.gz XIZSURYCUISPPJ-ZDUSSCGKSA-N -1 1 336.317 2.086 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)c1ccoc1 ZINC000945761164 784839675 /nfs/dbraw/zinc/83/96/75/784839675.db2.gz ZDCWKSDOAVBOIO-TZMCWYRMSA-N -1 1 343.383 2.051 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC000908147200 785098720 /nfs/dbraw/zinc/09/87/20/785098720.db2.gz ICYGHISXSZBSMI-UHFFFAOYSA-N -1 1 337.282 2.080 20 0 EEADMM Cn1ccnc1[C@@H]1N(C(=O)c2cnc(C3CC3)[n-]c2=O)CC1(C)C ZINC000908550979 785513169 /nfs/dbraw/zinc/51/31/69/785513169.db2.gz ZBZIHRRXOQVOQD-LBPRGKRZSA-N -1 1 327.388 2.016 20 0 EEADMM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1OC ZINC000908719128 785647405 /nfs/dbraw/zinc/64/74/05/785647405.db2.gz JKUFTXLKHSAMID-UKRRQHHQSA-N -1 1 334.416 2.059 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2csc(C)n2)c1 ZINC000819954551 785739095 /nfs/dbraw/zinc/73/90/95/785739095.db2.gz YQTWFBVEYHEQNW-OAQYLSRUSA-N -1 1 325.411 2.311 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccco1 ZINC000908875704 785814215 /nfs/dbraw/zinc/81/42/15/785814215.db2.gz JCZFAZKIGAIWLY-ZIAGYGMSSA-N -1 1 337.420 2.215 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccco1 ZINC000908876559 785815979 /nfs/dbraw/zinc/81/59/79/785815979.db2.gz XLXRLGCQUPBYAN-OCCSQVGLSA-N -1 1 337.420 2.310 20 0 EEADMM C[C@H](CNC(=O)N(CC(=O)[O-])C1CCC1)N1CCc2ccccc2C1 ZINC000908914657 785831819 /nfs/dbraw/zinc/83/18/19/785831819.db2.gz ZKTRLBSLSKHPLJ-CQSZACIVSA-N -1 1 345.443 2.082 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OC[C@H]2CC23CCOCC3)c1 ZINC000820256426 785845080 /nfs/dbraw/zinc/84/50/80/785845080.db2.gz BUVLUMVLWUYWRA-JCQPUDPBSA-N -1 1 338.425 2.163 20 0 EEADMM Cc1ccc([C@H](CNC(=O)NC2(C(=O)[O-])CCC2)N2CCCC2)o1 ZINC000908926416 785874733 /nfs/dbraw/zinc/87/47/33/785874733.db2.gz POHOPQNDAWEYDD-ZDUSSCGKSA-N -1 1 335.404 2.031 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N([C@H](C)C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000908927081 785875749 /nfs/dbraw/zinc/87/57/49/785875749.db2.gz ZRKLTUXSLDRQIL-HIFRSBDPSA-N -1 1 349.431 2.372 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCC[C@@H]2CCCO2)c1 ZINC000820617664 785991936 /nfs/dbraw/zinc/99/19/36/785991936.db2.gz ZGLRSXRCZFYZPB-WHEQGISXSA-N -1 1 326.414 2.305 20 0 EEADMM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1cccc(F)c1 ZINC000909683758 786166202 /nfs/dbraw/zinc/16/62/02/786166202.db2.gz VYNZIZLZMMHLOL-ZMZPIMSZSA-N -1 1 345.374 2.160 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000909753292 786228221 /nfs/dbraw/zinc/22/82/21/786228221.db2.gz ZOOUFAYGZREXDJ-JSGCOSHPSA-N -1 1 327.384 2.332 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000909753291 786228518 /nfs/dbraw/zinc/22/85/18/786228518.db2.gz ZOOUFAYGZREXDJ-GXTWGEPZSA-N -1 1 327.384 2.332 20 0 EEADMM CC1CCN(CC(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])CC1 ZINC000910098849 786447024 /nfs/dbraw/zinc/44/70/24/786447024.db2.gz AHDJJHUMNAIMGA-FQEVSTJZSA-N -1 1 344.455 2.407 20 0 EEADMM Cc1ccsc1CCCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000910173616 786496087 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O=C(CCC1CC1)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150286 787485959 /nfs/dbraw/zinc/48/59/59/787485959.db2.gz YOMPZSIDLBRNBS-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])C=CCC1 ZINC001062150665 787486997 /nfs/dbraw/zinc/48/69/97/787486997.db2.gz QCUBOXYPOIAXPP-AUUYWEPGSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001062150914 787488340 /nfs/dbraw/zinc/48/83/40/787488340.db2.gz ROVYCFDASPTKAS-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000911596312 787560653 /nfs/dbraw/zinc/56/06/53/787560653.db2.gz VDBDFRIDEDHTIU-UHFFFAOYSA-N -1 1 327.384 2.365 20 0 EEADMM CON(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccccc1C ZINC000911811069 787738965 /nfs/dbraw/zinc/73/89/65/787738965.db2.gz SDIQUCCIJWPLNU-LSDHHAIUSA-N -1 1 334.416 2.243 20 0 EEADMM O=C(CCCC1CC1)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062313199 787868750 /nfs/dbraw/zinc/86/87/50/787868750.db2.gz 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/nfs/dbraw/zinc/16/32/63/577163263.db2.gz WTPLLVWMLUADPE-UHFFFAOYSA-N -1 1 337.314 2.183 20 0 EEADMM C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)C(=O)c1ccccc1 ZINC000732827130 577194260 /nfs/dbraw/zinc/19/42/60/577194260.db2.gz AHTDFUQFWRUXSC-SUMWQHHRSA-N -1 1 349.394 2.314 20 0 EEADMM C[C@H]1CCC[C@H](OCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)C1 ZINC000733016487 577199657 /nfs/dbraw/zinc/19/96/57/577199657.db2.gz CNXNWVJDHLGJOS-ZFWWWQNUSA-N -1 1 333.384 2.082 20 0 EEADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCCCC[C@H]1c1ccccc1 ZINC000733134141 577205290 /nfs/dbraw/zinc/20/52/90/577205290.db2.gz VQFJNFGTOAIUGV-INIZCTEOSA-N -1 1 341.411 2.071 20 0 EEADMM O=C(CN1CCC(Nc2ccccn2)CC1)[N-]OCc1ccccc1 ZINC000772273419 577261324 /nfs/dbraw/zinc/26/13/24/577261324.db2.gz VGRJRMAYBAKPTM-UHFFFAOYSA-N -1 1 340.427 2.206 20 0 EEADMM CC(C)(C)c1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000773161509 577320125 /nfs/dbraw/zinc/32/01/25/577320125.db2.gz ZCDNLBXCZOCDKD-CYBMUJFWSA-N -1 1 331.445 2.428 20 0 EEADMM O=C([N-]c1nc(C2CC2)no1)c1nc(N2CCCC2)ncc1Cl ZINC000734877383 577333163 /nfs/dbraw/zinc/33/31/63/577333163.db2.gz YWRNCJOZBYUHJA-UHFFFAOYSA-N -1 1 334.767 2.243 20 0 EEADMM Cc1ccc2nc(COC(=O)c3ccc([O-])cc3F)cc(=O)n2c1 ZINC000773570135 577352159 /nfs/dbraw/zinc/35/21/59/577352159.db2.gz YOLZQUGULUAEQZ-UHFFFAOYSA-N -1 1 328.299 2.205 20 0 EEADMM CCOc1ccccc1N1C[C@H](C(=O)[N-]OC2CCCC2)CC1=O ZINC000774874212 577421617 /nfs/dbraw/zinc/42/16/17/577421617.db2.gz BGKAWQNSLPUZES-CYBMUJFWSA-N -1 1 332.400 2.429 20 0 EEADMM COc1ccccc1[C@H](C)CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776562724 577462399 /nfs/dbraw/zinc/46/23/99/577462399.db2.gz FEBVRCDZNXKXHK-DGCLKSJQSA-N -1 1 347.444 2.019 20 0 EEADMM Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765432171 577500988 /nfs/dbraw/zinc/50/09/88/577500988.db2.gz SVDFUANGRMITBR-UHFFFAOYSA-N -1 1 348.359 2.036 20 0 EEADMM CCc1ccc(-c2ccc(C(=O)OCc3nc(=O)n(C)[n-]3)o2)cc1 ZINC000765488769 577501819 /nfs/dbraw/zinc/50/18/19/577501819.db2.gz NANUYWXREVMAHI-UHFFFAOYSA-N -1 1 327.340 2.288 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3c2COC3=O)c1 ZINC000752854703 577777121 /nfs/dbraw/zinc/77/71/21/577777121.db2.gz STCGFVZSOAMLCF-UHFFFAOYSA-N -1 1 326.308 2.273 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)N(C)C)c1 ZINC000755167216 577821035 /nfs/dbraw/zinc/82/10/35/577821035.db2.gz PKDSYJJFCNFWTE-UHFFFAOYSA-N -1 1 341.367 2.305 20 0 EEADMM O=C(NC[C@@H](O)c1ccco1)c1ccc(Br)cc1[O-] ZINC000744321967 577895973 /nfs/dbraw/zinc/89/59/73/577895973.db2.gz GMLJYKBAPXRTGZ-LLVKDONJSA-N -1 1 326.146 2.211 20 0 EEADMM CC(=O)N[C@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])C1CCCC1 ZINC000744529797 577899526 /nfs/dbraw/zinc/89/95/26/577899526.db2.gz OVWCZUFWMUCZFY-SFHVURJKSA-N -1 1 347.411 2.375 20 0 EEADMM COCCCn1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000747392562 577943473 /nfs/dbraw/zinc/94/34/73/577943473.db2.gz GXINCASIZGSNHP-UHFFFAOYSA-N -1 1 333.392 2.099 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=S)N[C@H]2CCc3ccccc3C2)n1 ZINC000747654766 577947613 /nfs/dbraw/zinc/94/76/13/577947613.db2.gz QUHZQFIJCZJZJL-AWEZNQCLSA-N -1 1 343.456 2.142 20 0 EEADMM CC(C)(C)c1ccc(C=CC(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1 ZINC000735649944 578162317 /nfs/dbraw/zinc/16/23/17/578162317.db2.gz MJCZUYBVKATFOP-AJHXJQRKSA-N -1 1 341.415 2.111 20 0 EEADMM CC(C)(C)c1ccc(CCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC000735649919 578162408 /nfs/dbraw/zinc/16/24/08/578162408.db2.gz LUHNWXRLPGMQLJ-OAHLLOKOSA-N -1 1 343.431 2.030 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000735671702 578163073 /nfs/dbraw/zinc/16/30/73/578163073.db2.gz BSNUVHSCEIAVAP-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000735671702 578163074 /nfs/dbraw/zinc/16/30/74/578163074.db2.gz BSNUVHSCEIAVAP-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000736116500 578181672 /nfs/dbraw/zinc/18/16/72/578181672.db2.gz AWFQQFFWGXGDOV-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000736116500 578181673 /nfs/dbraw/zinc/18/16/73/578181673.db2.gz AWFQQFFWGXGDOV-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736140118 578182847 /nfs/dbraw/zinc/18/28/47/578182847.db2.gz YFGQAUPVXPXGSI-GFCCVEGCSA-N -1 1 336.403 2.430 20 0 EEADMM CC[C@@H](C)CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736322801 578195846 /nfs/dbraw/zinc/19/58/46/578195846.db2.gz OYKAMHUHUMZDHB-SECBINFHSA-N -1 1 343.840 2.187 20 0 EEADMM CC[C@@H](C)CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736322801 578195847 /nfs/dbraw/zinc/19/58/47/578195847.db2.gz OYKAMHUHUMZDHB-SECBINFHSA-N -1 1 343.840 2.187 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000736337905 578196902 /nfs/dbraw/zinc/19/69/02/578196902.db2.gz XLURNAVLUGWJLF-GFCCVEGCSA-N -1 1 332.360 2.399 20 0 EEADMM CCC[C@H](NC(=O)C=C(C)Cc1ccccc1OC)c1nn[n-]n1 ZINC000736429981 578203489 /nfs/dbraw/zinc/20/34/89/578203489.db2.gz QTIYMRMPHQOWCV-NYHXXUGCSA-N -1 1 329.404 2.355 20 0 EEADMM CCC[C@H](NC(=O)/C=C(/C)Cc1ccccc1OC)c1nn[n-]n1 ZINC000736429981 578203490 /nfs/dbraw/zinc/20/34/90/578203490.db2.gz QTIYMRMPHQOWCV-NYHXXUGCSA-N -1 1 329.404 2.355 20 0 EEADMM CC[C@@](C)(NCC(=O)N[C@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000736861207 578227153 /nfs/dbraw/zinc/22/71/53/578227153.db2.gz IGSWUQYUWDVFDK-WMLDXEAASA-N -1 1 347.440 2.192 20 0 EEADMM CCC[C@](C)(NCC(=O)N[C@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000736965177 578231611 /nfs/dbraw/zinc/23/16/11/578231611.db2.gz UFKAOVJUHQPOBU-DIFFPNOSSA-N -1 1 342.386 2.245 20 0 EEADMM CCN1CCN(C2CCN([C@@H](C)c3ccc(C(=O)[O-])o3)CC2)C1=O ZINC000737115252 578238947 /nfs/dbraw/zinc/23/89/47/578238947.db2.gz JSOXQXIWNQRBPY-LBPRGKRZSA-N -1 1 335.404 2.261 20 0 EEADMM COc1cccc([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737130889 578239854 /nfs/dbraw/zinc/23/98/54/578239854.db2.gz ZKQIBCXRPVQQNH-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM COc1cccc([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737130889 578239855 /nfs/dbraw/zinc/23/98/55/578239855.db2.gz ZKQIBCXRPVQQNH-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2noc3c2CCCC3)n1 ZINC000737472220 578259869 /nfs/dbraw/zinc/25/98/69/578259869.db2.gz XFDSDTMLZILIRN-UHFFFAOYSA-N -1 1 343.416 2.433 20 0 EEADMM CN(Cc1c(C(=O)[O-])sc2cccc(F)c21)[C@H]1CCN(C)C1=O ZINC000737515040 578261827 /nfs/dbraw/zinc/26/18/27/578261827.db2.gz RBMHADNLGUFJSZ-NSHDSACASA-N -1 1 336.388 2.401 20 0 EEADMM Cc1nnc(Oc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c1C ZINC000737532579 578262455 /nfs/dbraw/zinc/26/24/55/578262455.db2.gz JKCSEAYMMIYEBH-UHFFFAOYSA-N -1 1 334.343 2.252 20 0 EEADMM Clc1nsc(NCCCc2nccs2)c1-c1nnn[n-]1 ZINC000737583473 578265482 /nfs/dbraw/zinc/26/54/82/578265482.db2.gz LFSFGWNFQPPWHS-UHFFFAOYSA-N -1 1 327.826 2.478 20 0 EEADMM Clc1nsc(NCCCc2nccs2)c1-c1nn[n-]n1 ZINC000737583473 578265483 /nfs/dbraw/zinc/26/54/83/578265483.db2.gz LFSFGWNFQPPWHS-UHFFFAOYSA-N -1 1 327.826 2.478 20 0 EEADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000475 578275995 /nfs/dbraw/zinc/27/59/95/578275995.db2.gz FZBXUYLKOABJPM-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000475 578275996 /nfs/dbraw/zinc/27/59/96/578275996.db2.gz FZBXUYLKOABJPM-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820269282 599211343 /nfs/dbraw/zinc/21/13/43/599211343.db2.gz ITZZNKGTSLFXST-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820269282 599211345 /nfs/dbraw/zinc/21/13/45/599211345.db2.gz ITZZNKGTSLFXST-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM CC1=C(C(=O)OC(C)C)[C@H](c2cccc(C(=O)[O-])c2)NC(=S)N1 ZINC000820221376 598201849 /nfs/dbraw/zinc/20/18/49/598201849.db2.gz NSCFAFHJPVFKAB-ZDUSSCGKSA-N -1 1 334.397 2.129 20 0 EEADMM Cc1ccc([C@H](O)CNc2cc(-c3nnn[n-]3)nc3ccccc32)o1 ZINC000822230444 599572380 /nfs/dbraw/zinc/57/23/80/599572380.db2.gz GTGHZJKVCZWWRP-OAHLLOKOSA-N -1 1 336.355 2.462 20 0 EEADMM Cc1ccc([C@H](O)CNc2cc(-c3nn[n-]n3)nc3ccccc32)o1 ZINC000822230444 599572382 /nfs/dbraw/zinc/57/23/82/599572382.db2.gz GTGHZJKVCZWWRP-OAHLLOKOSA-N -1 1 336.355 2.462 20 0 EEADMM CCc1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1C ZINC000314716545 600243744 /nfs/dbraw/zinc/24/37/44/600243744.db2.gz XLHZKJPJOZTWFG-UHFFFAOYSA-N -1 1 340.426 2.442 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1O ZINC000832952831 600685727 /nfs/dbraw/zinc/68/57/27/600685727.db2.gz CRQPZHINGOVLMI-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM Cc1nnc(SCCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)[nH]1 ZINC000833022047 600968088 /nfs/dbraw/zinc/96/80/88/600968088.db2.gz VXZXTAYDWLGYBO-NSHDSACASA-N -1 1 346.412 2.200 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccn1 ZINC000833126259 600974964 /nfs/dbraw/zinc/97/49/64/600974964.db2.gz JREFTZVKGGDDQC-QGZVFWFLSA-N -1 1 348.362 2.198 20 0 EEADMM CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829170558 601031742 /nfs/dbraw/zinc/03/17/42/601031742.db2.gz VZVACLQVZBXJHE-CXAGYDPISA-N -1 1 336.457 2.427 20 0 EEADMM Cc1cc2[nH]c(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2c(C)c1 ZINC000832875503 601105402 /nfs/dbraw/zinc/10/54/02/601105402.db2.gz UKGZSEAERQQTMN-AWEZNQCLSA-N -1 1 343.427 2.406 20 0 EEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(C/C=C(/C)C(=O)[O-])C1 ZINC000825824028 601177702 /nfs/dbraw/zinc/17/77/02/601177702.db2.gz ZIQWPYWOKKQELD-XNISGLLXSA-N -1 1 349.431 2.252 20 0 EEADMM Cc1cc(NC(=O)N2CCN(C3CCOCC3)CC2)ccc1C(=O)[O-] ZINC000821023780 601311564 /nfs/dbraw/zinc/31/15/64/601311564.db2.gz LCQUTYCOKASFES-UHFFFAOYSA-N -1 1 347.415 2.022 20 0 EEADMM COc1cc(F)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000026546656 601320979 /nfs/dbraw/zinc/32/09/79/601320979.db2.gz BGCUIGPBISGECH-UHFFFAOYSA-N -1 1 343.307 2.472 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C)C(=O)[O-] ZINC000826787771 601328278 /nfs/dbraw/zinc/32/82/78/601328278.db2.gz UOPRTRYWOMYHOO-OIISXLGYSA-N -1 1 332.444 2.480 20 0 EEADMM CCOC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000829989666 601378059 /nfs/dbraw/zinc/37/80/59/601378059.db2.gz JCDXJWHKZBHMIB-UONOGXRCSA-N -1 1 334.416 2.379 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828441920 601515926 /nfs/dbraw/zinc/51/59/26/601515926.db2.gz VMEPPACFQNDXSK-CABZTGNLSA-N -1 1 330.306 2.296 20 0 EEADMM CSc1ccncc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832790637 601577342 /nfs/dbraw/zinc/57/73/42/601577342.db2.gz PMWYPKWAHDQUDC-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000830585255 601819428 /nfs/dbraw/zinc/81/94/28/601819428.db2.gz VBHHFKPMUFVLIU-QGZVFWFLSA-N -1 1 332.444 2.263 20 0 EEADMM Cc1ccc(C)c(C[S@](=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826285373 607530170 /nfs/dbraw/zinc/53/01/70/607530170.db2.gz YAVJYZKKHNOPAK-HSZRJFAPSA-N -1 1 327.413 2.327 20 0 EEADMM Cc1ccc(C)c(C[S@](=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826285373 607530172 /nfs/dbraw/zinc/53/01/72/607530172.db2.gz YAVJYZKKHNOPAK-HSZRJFAPSA-N -1 1 327.413 2.327 20 0 EEADMM CCCCN(CC)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829389861 601873054 /nfs/dbraw/zinc/87/30/54/601873054.db2.gz VQSDSLOTKKASSN-UHFFFAOYSA-N -1 1 333.388 2.233 20 0 EEADMM CNC(=O)c1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826073194 607533977 /nfs/dbraw/zinc/53/39/77/607533977.db2.gz IZXJFWAQSNLAHM-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM CNC(=O)c1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826073194 607533979 /nfs/dbraw/zinc/53/39/79/607533979.db2.gz IZXJFWAQSNLAHM-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM c1nnc(SCc2ccnc(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000826519604 607541695 /nfs/dbraw/zinc/54/16/95/607541695.db2.gz GLUCEMCZCCXULM-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nnc(SCc2ccnc(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000826519604 607541696 /nfs/dbraw/zinc/54/16/96/607541696.db2.gz GLUCEMCZCCXULM-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000828455483 602093816 /nfs/dbraw/zinc/09/38/16/602093816.db2.gz CXSLOCREQBYYSY-RBSFLKMASA-N -1 1 348.443 2.023 20 0 EEADMM CN(C)[C@@H](CNC(=O)C(C)(C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827994256 603969920 /nfs/dbraw/zinc/96/99/20/603969920.db2.gz JGAIGWBAFOYOHQ-LBPRGKRZSA-N -1 1 327.812 2.105 20 0 EEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCOC3(CCCC3)C2)c1 ZINC000832051722 604494320 /nfs/dbraw/zinc/49/43/20/604494320.db2.gz XDQKUKSUHJAQQN-INIZCTEOSA-N -1 1 335.400 2.475 20 0 EEADMM Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833759661 604923643 /nfs/dbraw/zinc/92/36/43/604923643.db2.gz HAGHKPQKQLCAII-MRXNPFEDSA-N -1 1 347.390 2.203 20 0 EEADMM CC(C)CCn1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)nn1 ZINC000833484397 605060705 /nfs/dbraw/zinc/06/07/05/605060705.db2.gz OEHQIKDZVYSPAZ-UHFFFAOYSA-N -1 1 342.359 2.151 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000833508912 605175214 /nfs/dbraw/zinc/17/52/14/605175214.db2.gz OTOASQJYEHEVJM-VYDXJSESSA-N -1 1 347.459 2.400 20 0 EEADMM CC(C)(C)[C@@H](NCC(=O)NCCC(=O)[O-])c1ccc(F)cc1F ZINC000833423621 605175727 /nfs/dbraw/zinc/17/57/27/605175727.db2.gz OCQYVQOCMHVOQU-HNNXBMFYSA-N -1 1 328.359 2.233 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)CCN1CCC(=O)[O-] ZINC000833621597 605258425 /nfs/dbraw/zinc/25/84/25/605258425.db2.gz KSRFAPWTZUVWNP-HNNXBMFYSA-N -1 1 341.411 2.098 20 0 EEADMM CCCOc1ccccc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821138916 606154578 /nfs/dbraw/zinc/15/45/78/606154578.db2.gz KLHLOGCIWPUOHO-UHFFFAOYSA-N -1 1 342.363 2.033 20 0 EEADMM CCCOc1ccccc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821138916 606154580 /nfs/dbraw/zinc/15/45/80/606154580.db2.gz KLHLOGCIWPUOHO-UHFFFAOYSA-N -1 1 342.363 2.033 20 0 EEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043374 606169804 /nfs/dbraw/zinc/16/98/04/606169804.db2.gz OIHOYGLQEZBHSN-ZYHUDNBSSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043374 606169806 /nfs/dbraw/zinc/16/98/06/606169806.db2.gz OIHOYGLQEZBHSN-ZYHUDNBSSA-N -1 1 332.412 2.081 20 0 EEADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1cnc2ccccc21 ZINC000819866094 606294109 /nfs/dbraw/zinc/29/41/09/606294109.db2.gz IVOJYLMBYTUUPU-SNVBAGLBSA-N -1 1 349.354 2.122 20 0 EEADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821457136 606364679 /nfs/dbraw/zinc/36/46/79/606364679.db2.gz URTBKIOFUPGARO-RYUDHWBXSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821457136 606364680 /nfs/dbraw/zinc/36/46/80/606364680.db2.gz URTBKIOFUPGARO-RYUDHWBXSA-N -1 1 332.433 2.056 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820907797 606427545 /nfs/dbraw/zinc/42/75/45/606427545.db2.gz HGMQOPJXTVPEPR-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000820907797 606427548 /nfs/dbraw/zinc/42/75/48/606427548.db2.gz HGMQOPJXTVPEPR-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CCN(CCc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821213379 606531254 /nfs/dbraw/zinc/53/12/54/606531254.db2.gz BYHHNYCAPDURJV-UHFFFAOYSA-N -1 1 328.401 2.028 20 0 EEADMM CCN(CCc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821213379 606531256 /nfs/dbraw/zinc/53/12/56/606531256.db2.gz BYHHNYCAPDURJV-UHFFFAOYSA-N -1 1 328.401 2.028 20 0 EEADMM CC(C)Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(C)n1 ZINC000820108993 606540772 /nfs/dbraw/zinc/54/07/72/606540772.db2.gz YBEGUFFCMYBKTB-UHFFFAOYSA-N -1 1 331.405 2.113 20 0 EEADMM CC(C)Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(C)n1 ZINC000820108993 606540774 /nfs/dbraw/zinc/54/07/74/606540774.db2.gz YBEGUFFCMYBKTB-UHFFFAOYSA-N -1 1 331.405 2.113 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820635242 606572477 /nfs/dbraw/zinc/57/24/77/606572477.db2.gz KXLIHRFPJSJDDT-CZUORRHYSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820635242 606572478 /nfs/dbraw/zinc/57/24/78/606572478.db2.gz KXLIHRFPJSJDDT-CZUORRHYSA-N -1 1 325.397 2.388 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822259270 606650461 /nfs/dbraw/zinc/65/04/61/606650461.db2.gz ROWGSUVBSJNXGD-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822259270 606650462 /nfs/dbraw/zinc/65/04/62/606650462.db2.gz ROWGSUVBSJNXGD-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOc2ccc(F)cc21 ZINC000823484242 606694801 /nfs/dbraw/zinc/69/48/01/606694801.db2.gz UUQBXGIPGGSGOK-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOc2ccc(F)cc21 ZINC000823484242 606694802 /nfs/dbraw/zinc/69/48/02/606694802.db2.gz UUQBXGIPGGSGOK-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(OCc1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823427162 606804164 /nfs/dbraw/zinc/80/41/64/606804164.db2.gz ZEZZZFOFFPDZQK-UHFFFAOYSA-N -1 1 328.353 2.315 20 0 EEADMM O=C(OCc1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823427162 606804166 /nfs/dbraw/zinc/80/41/66/606804166.db2.gz ZEZZZFOFFPDZQK-UHFFFAOYSA-N -1 1 328.353 2.315 20 0 EEADMM C[C@@H](N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000820308726 606840198 /nfs/dbraw/zinc/84/01/98/606840198.db2.gz WZSIKQIDXJUHRP-SECBINFHSA-N -1 1 341.412 2.061 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1sccc1OC(F)F ZINC000823383273 607105647 /nfs/dbraw/zinc/10/56/47/607105647.db2.gz OSOALVYYTZKNFO-UHFFFAOYSA-N -1 1 344.328 2.238 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1sccc1OC(F)F ZINC000823383273 607105648 /nfs/dbraw/zinc/10/56/48/607105648.db2.gz OSOALVYYTZKNFO-UHFFFAOYSA-N -1 1 344.328 2.238 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cscn2)c2ccc(Cl)cc12 ZINC000823656339 607237647 /nfs/dbraw/zinc/23/76/47/607237647.db2.gz BSGNPGFGDNYYDK-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385722 607786009 /nfs/dbraw/zinc/78/60/09/607786009.db2.gz ZUDBFYSDHBDDLS-MRVPVSSYSA-N -1 1 347.329 2.011 20 0 EEADMM C[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385722 607786010 /nfs/dbraw/zinc/78/60/10/607786010.db2.gz ZUDBFYSDHBDDLS-MRVPVSSYSA-N -1 1 347.329 2.011 20 0 EEADMM c1ccc2sc(NCCNc3cccc(-c4nnn[n-]4)n3)nc2c1 ZINC000826517289 607896677 /nfs/dbraw/zinc/89/66/77/607896677.db2.gz XMFACYTZFWWSTC-UHFFFAOYSA-N -1 1 338.400 2.395 20 0 EEADMM c1ccc2sc(NCCNc3cccc(-c4nn[n-]n4)n3)nc2c1 ZINC000826517289 607896678 /nfs/dbraw/zinc/89/66/78/607896678.db2.gz XMFACYTZFWWSTC-UHFFFAOYSA-N -1 1 338.400 2.395 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]nc1-c1ccccc1 ZINC000826450902 607998299 /nfs/dbraw/zinc/99/82/99/607998299.db2.gz IIUXUILTDUZWLO-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCCC(F)(F)F)n1 ZINC000824147157 608159621 /nfs/dbraw/zinc/15/96/21/608159621.db2.gz AJOKMPJLXLDKOS-UHFFFAOYSA-N -1 1 345.329 2.489 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCCC(F)(F)F)n1 ZINC000824147157 608159622 /nfs/dbraw/zinc/15/96/22/608159622.db2.gz AJOKMPJLXLDKOS-UHFFFAOYSA-N -1 1 345.329 2.489 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)[C@@H]1OC ZINC000825164557 608167312 /nfs/dbraw/zinc/16/73/12/608167312.db2.gz CWDPBJJJSVHCPT-WQAKAFBOSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)[C@@H]1OC ZINC000825164557 608167313 /nfs/dbraw/zinc/16/73/13/608167313.db2.gz CWDPBJJJSVHCPT-WQAKAFBOSA-N -1 1 349.460 2.498 20 0 EEADMM CCOC(=O)C[C@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825508533 608183923 /nfs/dbraw/zinc/18/39/23/608183923.db2.gz ZLUBZKKQTGPAAS-YFKPBYRVSA-N -1 1 333.826 2.410 20 0 EEADMM CCOC(=O)C[C@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825508533 608183924 /nfs/dbraw/zinc/18/39/24/608183924.db2.gz ZLUBZKKQTGPAAS-YFKPBYRVSA-N -1 1 333.826 2.410 20 0 EEADMM Cc1ccsc1[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826316200 608189163 /nfs/dbraw/zinc/18/91/63/608189163.db2.gz HEGIPNMXBHXWCK-LURJTMIESA-N -1 1 342.837 2.492 20 0 EEADMM Cc1ccsc1[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826316200 608189164 /nfs/dbraw/zinc/18/91/64/608189164.db2.gz HEGIPNMXBHXWCK-LURJTMIESA-N -1 1 342.837 2.492 20 0 EEADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825733611 608330951 /nfs/dbraw/zinc/33/09/51/608330951.db2.gz FZHRTHBKAYXBPW-SECBINFHSA-N -1 1 328.401 2.377 20 0 EEADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825733611 608330952 /nfs/dbraw/zinc/33/09/52/608330952.db2.gz FZHRTHBKAYXBPW-SECBINFHSA-N -1 1 328.401 2.377 20 0 EEADMM c1ccc(COc2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)nc1 ZINC000826522171 608397820 /nfs/dbraw/zinc/39/78/20/608397820.db2.gz OXRXTGBZOOGPBR-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(COc2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)nc1 ZINC000826522171 608397822 /nfs/dbraw/zinc/39/78/22/608397822.db2.gz OXRXTGBZOOGPBR-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825225451 608400073 /nfs/dbraw/zinc/40/00/73/608400073.db2.gz TUNBDQMSVBTTDX-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825225451 608400075 /nfs/dbraw/zinc/40/00/75/608400075.db2.gz TUNBDQMSVBTTDX-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CC(C)(C)Oc1cccc(CNCc2ccc(-c3nnn[n-]3)o2)n1 ZINC000824124170 608450663 /nfs/dbraw/zinc/45/06/63/608450663.db2.gz OQDKKPTZZATQFF-UHFFFAOYSA-N -1 1 328.376 2.322 20 0 EEADMM CCN(Cc1ccc2c(c1)OCO2)c1nc(-c2nnn[n-]2)ccc1C ZINC000825435084 608542566 /nfs/dbraw/zinc/54/25/66/608542566.db2.gz LTIBSPGQDHITOP-UHFFFAOYSA-N -1 1 338.371 2.325 20 0 EEADMM CCN(Cc1ccc2c(c1)OCO2)c1nc(-c2nn[n-]n2)ccc1C ZINC000825435084 608542567 /nfs/dbraw/zinc/54/25/67/608542567.db2.gz LTIBSPGQDHITOP-UHFFFAOYSA-N -1 1 338.371 2.325 20 0 EEADMM CS[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC000826226142 609550579 /nfs/dbraw/zinc/55/05/79/609550579.db2.gz SQKUGXYQPRVCDB-SNVBAGLBSA-N -1 1 325.463 2.436 20 0 EEADMM CS[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC000826226142 609550581 /nfs/dbraw/zinc/55/05/81/609550581.db2.gz SQKUGXYQPRVCDB-SNVBAGLBSA-N -1 1 325.463 2.436 20 0 EEADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866849024 674649378 /nfs/dbraw/zinc/64/93/78/674649378.db2.gz PVJUXIQONDWIRG-APPZFPTMSA-N -1 1 327.233 2.074 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H](C)c3ccccc3F)C2)c1[O-] ZINC000969500865 675075546 /nfs/dbraw/zinc/07/55/46/675075546.db2.gz YHXNAKNEXIMHAS-ZYHUDNBSSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H](C)c3ccccc3F)C2)c1[O-] ZINC000969500863 675075678 /nfs/dbraw/zinc/07/56/78/675075678.db2.gz YHXNAKNEXIMHAS-JQWIXIFHSA-N -1 1 346.406 2.374 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1C[NH+](CCc2ccccc2F)C1 ZINC000969542140 675098499 /nfs/dbraw/zinc/09/84/99/675098499.db2.gz FAMAJIVAKQDWKV-CYBMUJFWSA-N -1 1 343.402 2.219 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccc(F)c(F)c2)C1 ZINC000969544930 675099859 /nfs/dbraw/zinc/09/98/59/675099859.db2.gz YNPYVIRAMWMUTK-LLVKDONJSA-N -1 1 347.365 2.316 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2O)CC[N@H+]1CCc1ccns1 ZINC000947236609 676029566 /nfs/dbraw/zinc/02/95/66/676029566.db2.gz VMMXHUHOIMZFGQ-STQMWFEESA-N -1 1 346.456 2.069 20 0 EEADMM COC(=O)N1CCC(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000804684182 675525421 /nfs/dbraw/zinc/52/54/21/675525421.db2.gz RNJRBZBJGJIAIP-UHFFFAOYSA-N -1 1 326.780 2.254 20 0 EEADMM CC(=O)N1CCC[C@@H](C2CCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001020855976 675542704 /nfs/dbraw/zinc/54/27/04/675542704.db2.gz IXJUHWWVELUFCG-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM Cn1ncc(C(F)(F)F)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615329 676721272 /nfs/dbraw/zinc/72/12/72/676721272.db2.gz PVFYGUBUQUIIAS-UHFFFAOYSA-N -1 1 341.293 2.066 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccncc1Br ZINC000891620821 676730184 /nfs/dbraw/zinc/73/01/84/676730184.db2.gz CXTMQOPUWQIZFS-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM COCc1nc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(=O)[n-]1 ZINC000891870963 676876282 /nfs/dbraw/zinc/87/62/82/676876282.db2.gz 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1319759031 /nfs/dbraw/zinc/75/90/31/1319759031.db2.gz HGNJDYAIAFSCNS-SECBINFHSA-N -1 1 344.177 2.015 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc4cnoc4c3)ccc21 ZINC001260160732 1319813307 /nfs/dbraw/zinc/81/33/07/1319813307.db2.gz IDIDXTGEMYJTNZ-UHFFFAOYSA-N -1 1 343.364 2.148 20 0 EEADMM COc1cc(C(C)=O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189434 1319819603 /nfs/dbraw/zinc/81/96/03/1319819603.db2.gz ACRDNJGAFFWGEL-UHFFFAOYSA-N -1 1 349.364 2.397 20 0 EEADMM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1cc(Cl)c(F)cc1F ZINC001260204709 1319828836 /nfs/dbraw/zinc/82/88/36/1319828836.db2.gz IEQZMGLAWAJXFW-GFCCVEGCSA-N -1 1 337.775 2.466 20 0 EEADMM O=S(=O)([N-][C@H](CO)c1cccnc1)c1cc(Cl)c(F)cc1F ZINC001260208092 1319831466 /nfs/dbraw/zinc/83/14/66/1319831466.db2.gz GWCJDZWCQUDKJP-GFCCVEGCSA-N -1 1 348.758 2.025 20 0 EEADMM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cccc2nsnc21 ZINC001260389402 1319880045 /nfs/dbraw/zinc/88/00/45/1319880045.db2.gz MFZGSCSKFPNHRS-UHFFFAOYSA-N -1 1 347.290 2.167 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c(C)c1 ZINC001260609983 1319920530 /nfs/dbraw/zinc/92/05/30/1319920530.db2.gz DXOPUSVPUPIYOU-UHFFFAOYSA-N -1 1 345.380 2.459 20 0 EEADMM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cn1 ZINC001260657431 1319935850 /nfs/dbraw/zinc/93/58/50/1319935850.db2.gz IKKDVGVSDBEFFJ-UHFFFAOYSA-N -1 1 339.392 2.486 20 0 EEADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(O)c3C)ccc21 ZINC001260797500 1319979432 /nfs/dbraw/zinc/97/94/32/1319979432.db2.gz NPXSKMQIUAKXHN-UHFFFAOYSA-N -1 1 346.408 2.410 20 0 EEADMM CSc1ncc(-c2nc(-c3ccc4c(c3)OCCO4)no2)c(=O)[n-]1 ZINC001213019553 1320028046 /nfs/dbraw/zinc/02/80/46/1320028046.db2.gz HFIOINRZIHYEKN-UHFFFAOYSA-N -1 1 344.352 2.392 20 0 EEADMM Cc1ccc2c(c1)cc(Cl)nc2Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001160854596 1320292442 /nfs/dbraw/zinc/29/24/42/1320292442.db2.gz XCQOVXCKMHCUDB-SNVBAGLBSA-N -1 1 334.788 2.144 20 0 EEADMM COC(=O)c1cc(NCC[N-]C(=O)C(F)(F)F)nc(C(C)(C)C)c1 ZINC001164244033 1321328016 /nfs/dbraw/zinc/32/80/16/1321328016.db2.gz QTJSRXNKJCOTCT-UHFFFAOYSA-N -1 1 347.337 2.256 20 0 EEADMM COC(=O)c1ccc2ncc(NCC[N-]C(=O)C(F)(F)F)cc2c1 ZINC001164246188 1321329667 /nfs/dbraw/zinc/32/96/67/1321329667.db2.gz SKUUDDFUKNTAPY-UHFFFAOYSA-N -1 1 341.289 2.112 20 0 EEADMM O=C([N-]C1CCN(c2cc(-c3ncc[nH]3)ccn2)CC1)C(F)(F)F ZINC001166893733 1321811353 /nfs/dbraw/zinc/81/13/53/1321811353.db2.gz DDQMYTGZUZIALW-UHFFFAOYSA-N -1 1 339.321 2.119 20 0 EEADMM CC(C)Cc1cc(N2CCC([N-]C(=O)C(F)(F)F)CC2)ncn1 ZINC001166894758 1321811592 /nfs/dbraw/zinc/81/15/92/1321811592.db2.gz KHGFUTOHGFLCBZ-UHFFFAOYSA-N -1 1 330.354 2.322 20 0 EEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-][C@H](c1cccnc1)C(F)(F)F ZINC001261031441 1322004165 /nfs/dbraw/zinc/00/41/65/1322004165.db2.gz NGWHAGZMOPFBNN-LLVKDONJSA-N -1 1 334.323 2.003 20 0 EEADMM Cc1c(F)cc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1N ZINC001210007907 1325126473 /nfs/dbraw/zinc/12/64/73/1325126473.db2.gz RDSBBEKQMDQOSX-UHFFFAOYSA-N -1 1 342.323 2.354 20 0 EEADMM Brc1cnc(-c2nnn[n-]2)c(N2CCCC3(CC3)C2)c1 ZINC001588323120 1348885318 /nfs/dbraw/zinc/88/53/18/1348885318.db2.gz PEIVOWMYQQJZKM-UHFFFAOYSA-N -1 1 335.209 2.405 20 0 EEADMM Brc1cnc(-c2nn[n-]n2)c(N2CCCC3(CC3)C2)c1 ZINC001588323120 1348885322 /nfs/dbraw/zinc/88/53/22/1348885322.db2.gz PEIVOWMYQQJZKM-UHFFFAOYSA-N -1 1 335.209 2.405 20 0 EEADMM Brc1cnc(-c2nnn[n-]2)c(N2CCC3(CCC3)C2)c1 ZINC001588323270 1348885781 /nfs/dbraw/zinc/88/57/81/1348885781.db2.gz VAVLFERMFSTUDM-UHFFFAOYSA-N -1 1 335.209 2.405 20 0 EEADMM Brc1cnc(-c2nn[n-]n2)c(N2CCC3(CCC3)C2)c1 ZINC001588323270 1348885786 /nfs/dbraw/zinc/88/57/86/1348885786.db2.gz VAVLFERMFSTUDM-UHFFFAOYSA-N -1 1 335.209 2.405 20 0 EEADMM Brc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001588322718 1348886073 /nfs/dbraw/zinc/88/60/73/1348886073.db2.gz ZZGNTWPSMXPFLK-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001588322718 1348886080 /nfs/dbraw/zinc/88/60/80/1348886080.db2.gz ZZGNTWPSMXPFLK-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Cc1cc2[nH]nc(NC(=O)c3cccc(Cl)c3[O-])c2c(=O)n1C ZINC001299777875 1330167340 /nfs/dbraw/zinc/16/73/40/1330167340.db2.gz OIJOTKQIDCRCED-UHFFFAOYSA-N -1 1 332.747 2.181 20 0 EEADMM CSc1nc(CNC(=O)c2cc(C)cc3c[nH]nc32)cc(=O)[n-]1 ZINC001299998195 1330170019 /nfs/dbraw/zinc/17/00/19/1330170019.db2.gz BKFRLUKLJSVOQN-UHFFFAOYSA-N -1 1 329.385 2.019 20 0 EEADMM C[C@H](Sc1ccccc1Cl)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590036741 1349120214 /nfs/dbraw/zinc/12/02/14/1349120214.db2.gz YRNKCXOTBSGVPV-ZETCQYMHSA-N -1 1 349.807 2.363 20 0 EEADMM FC1(F)C[C@]12CCCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001592629517 1349681235 /nfs/dbraw/zinc/68/12/35/1349681235.db2.gz HTIGKXWZIDANGM-AWEZNQCLSA-N -1 1 333.346 2.160 20 0 EEADMM FC1(F)C[C@]12CCCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001592629517 1349681244 /nfs/dbraw/zinc/68/12/44/1349681244.db2.gz HTIGKXWZIDANGM-AWEZNQCLSA-N -1 1 333.346 2.160 20 0 EEADMM Cn1cc([C@@H](NCc2ccsc2C(=O)[O-])C2(CO)CCC2)cn1 ZINC001600938673 1350172687 /nfs/dbraw/zinc/17/26/87/1350172687.db2.gz DAOXDNKMLWFWPO-CQSZACIVSA-N -1 1 335.429 2.173 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(O)c1 ZINC001608550687 1351714442 /nfs/dbraw/zinc/71/44/42/1351714442.db2.gz YRFLAGFLSHSDMK-MRXNPFEDSA-N -1 1 342.330 2.028 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCCN(C(=O)C2CC2)CC1 ZINC001608559784 1351715949 /nfs/dbraw/zinc/71/59/49/1351715949.db2.gz SBANBFXULPAGAY-HNNXBMFYSA-N -1 1 336.819 2.410 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC001608581214 1351719679 /nfs/dbraw/zinc/71/96/79/1351719679.db2.gz STBLKFMTUHKIFL-IBGZPJMESA-N -1 1 349.394 2.026 20 0 EEADMM O=C([O-])C12CCC(C(=O)N3CCN[C@H](Cc4ccccc4)C3)(CC1)C2 ZINC001608582214 1351720291 /nfs/dbraw/zinc/72/02/91/1351720291.db2.gz AZUOXQAYHONUIM-PBPGXSGUSA-N -1 1 342.439 2.065 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC001608698241 1351744268 /nfs/dbraw/zinc/74/42/68/1351744268.db2.gz UZEOBWFGKQFHQW-KRWDZBQOSA-N -1 1 330.428 2.367 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2c(O)cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001608807780 1351768359 /nfs/dbraw/zinc/76/83/59/1351768359.db2.gz DJFVCZBTRLMESJ-QWHCGFSZSA-N -1 1 345.326 2.177 20 0 EEADMM O=C([O-])[C@H]1C(=O)N(CN2CCC3(CCC3)C2)C[C@@H]1c1ccccc1 ZINC001608818540 1351770852 /nfs/dbraw/zinc/77/08/52/1351770852.db2.gz YBAMSJPMGIXZKN-HZPDHXFCSA-N -1 1 328.412 2.147 20 0 EEADMM O=C([O-])c1cc(Br)oc1CNCCOC(F)(F)F ZINC001608834209 1351774509 /nfs/dbraw/zinc/77/45/09/1351774509.db2.gz CROWAGOJGJKHAO-UHFFFAOYSA-N -1 1 332.072 2.366 20 0 EEADMM COC(=O)/C=C/c1cccc([N-]S(=O)(=O)CC[Si](C)(C)C)n1 ZINC001195048843 1368501604 /nfs/dbraw/zinc/50/16/04/1368501604.db2.gz UMNMETBLEVLNNI-CMDGGOBGSA-N -1 1 342.493 2.348 20 0 EEADMM O=C([O-])c1cnc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)s1 ZINC001608972313 1351805102 /nfs/dbraw/zinc/80/51/02/1351805102.db2.gz SVCJWOQJBDOLJD-SECBINFHSA-N -1 1 339.367 2.488 20 0 EEADMM CC[C@]1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOC1 ZINC001320706886 1332938817 /nfs/dbraw/zinc/93/88/17/1332938817.db2.gz MQWYJCWGWUPUNG-NSHDSACASA-N -1 1 325.217 2.236 20 0 EEADMM Cn1cnc2cc(C(=O)OCC(=O)c3ccc([O-])cc3O)ccc21 ZINC001322953072 1333357694 /nfs/dbraw/zinc/35/76/94/1333357694.db2.gz VEJCHVQKFQUMFQ-UHFFFAOYSA-N -1 1 326.308 2.024 20 0 EEADMM CC(C)C[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609093618 1351839958 /nfs/dbraw/zinc/83/99/58/1351839958.db2.gz KJWGAKHGLBCLKM-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)C[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609093618 1351839963 /nfs/dbraw/zinc/83/99/63/1351839963.db2.gz KJWGAKHGLBCLKM-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)CO[C@H]1C[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001609096706 1351842051 /nfs/dbraw/zinc/84/20/51/1351842051.db2.gz SPDAMXBZTUBRKU-KBPBESRZSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)CO[C@H]1C[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001609096706 1351842056 /nfs/dbraw/zinc/84/20/56/1351842056.db2.gz SPDAMXBZTUBRKU-KBPBESRZSA-N -1 1 345.403 2.258 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001609150033 1351863513 /nfs/dbraw/zinc/86/35/13/1351863513.db2.gz JOPMLDLADFMCSZ-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001609150033 1351863517 /nfs/dbraw/zinc/86/35/17/1351863517.db2.gz JOPMLDLADFMCSZ-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)no1 ZINC001324858966 1333775092 /nfs/dbraw/zinc/77/50/92/1333775092.db2.gz KIRXWAUCQXHVPL-RXMQYKEDSA-N -1 1 337.188 2.119 20 0 EEADMM C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001609166892 1351873287 /nfs/dbraw/zinc/87/32/87/1351873287.db2.gz XBDCIOXWSPDHNO-BXUZGUMPSA-N -1 1 347.419 2.402 20 0 EEADMM C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)[C@H]1C(=O)OC(C)(C)C ZINC001609166892 1351873292 /nfs/dbraw/zinc/87/32/92/1351873292.db2.gz XBDCIOXWSPDHNO-BXUZGUMPSA-N -1 1 347.419 2.402 20 0 EEADMM CCCNC(=O)c1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609215995 1351896018 /nfs/dbraw/zinc/89/60/18/1351896018.db2.gz XWQGBGKVUSHYSH-UHFFFAOYSA-N -1 1 343.416 2.075 20 0 EEADMM CCCNC(=O)c1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609215995 1351896021 /nfs/dbraw/zinc/89/60/21/1351896021.db2.gz XWQGBGKVUSHYSH-UHFFFAOYSA-N -1 1 343.416 2.075 20 0 EEADMM CCSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609248950 1351908295 /nfs/dbraw/zinc/90/82/95/1351908295.db2.gz GCBBOGQWLURQFS-UHFFFAOYSA-N -1 1 330.373 2.150 20 0 EEADMM CCn1cc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)cn1 ZINC001609259141 1351913284 /nfs/dbraw/zinc/91/32/84/1351913284.db2.gz UPHFVMMTDWGXQZ-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CCn1cc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)cn1 ZINC001609259141 1351913285 /nfs/dbraw/zinc/91/32/85/1351913285.db2.gz UPHFVMMTDWGXQZ-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CO[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001609307708 1351927250 /nfs/dbraw/zinc/92/72/50/1351927250.db2.gz NQEQQLRIMFUDPQ-INIZCTEOSA-N -1 1 343.412 2.220 20 0 EEADMM CO[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001609307708 1351927253 /nfs/dbraw/zinc/92/72/53/1351927253.db2.gz NQEQQLRIMFUDPQ-INIZCTEOSA-N -1 1 343.412 2.220 20 0 EEADMM O=Cc1c[nH]c2cc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)ccc12 ZINC001328951576 1334555192 /nfs/dbraw/zinc/55/51/92/1334555192.db2.gz FIGWGFCCKYWOPE-NSHDSACASA-N -1 1 340.339 2.089 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001609357960 1351945623 /nfs/dbraw/zinc/94/56/23/1351945623.db2.gz NPOQBFIMCYJIPS-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001609357960 1351945625 /nfs/dbraw/zinc/94/56/25/1351945625.db2.gz NPOQBFIMCYJIPS-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC001609392630 1351957840 /nfs/dbraw/zinc/95/78/40/1351957840.db2.gz XUOQDQPYSQXZDG-CABCVRRESA-N -1 1 337.387 2.297 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC001609392630 1351957843 /nfs/dbraw/zinc/95/78/43/1351957843.db2.gz XUOQDQPYSQXZDG-CABCVRRESA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(NC[C@@]2(CO)C[C@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC001609426246 1351972153 /nfs/dbraw/zinc/97/21/53/1351972153.db2.gz KCEYNWDDXDWZJR-KBXCAEBGSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1ccc(NC[C@@]2(CO)C[C@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC001609426246 1351972158 /nfs/dbraw/zinc/97/21/58/1351972158.db2.gz KCEYNWDDXDWZJR-KBXCAEBGSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609433517 1351975589 /nfs/dbraw/zinc/97/55/89/1351975589.db2.gz JPVBYBFFIRGPFE-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3ccnc(-c4nnn[n-]4)c3)cc2)n1 ZINC001609437720 1351976861 /nfs/dbraw/zinc/97/68/61/1351976861.db2.gz VXOWZTOXQFJTFT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3ccnc(-c4nn[n-]n4)c3)cc2)n1 ZINC001609437720 1351976863 /nfs/dbraw/zinc/97/68/63/1351976863.db2.gz VXOWZTOXQFJTFT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cccc2cccnc21 ZINC001609467407 1351988537 /nfs/dbraw/zinc/98/85/37/1351988537.db2.gz FCYFJFLSFUTOII-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cccc2cccnc21 ZINC001609467407 1351988539 /nfs/dbraw/zinc/98/85/39/1351988539.db2.gz FCYFJFLSFUTOII-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC001609484216 1351993996 /nfs/dbraw/zinc/99/39/96/1351993996.db2.gz ZDMDYONZCMOGEO-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM Cn1nc(-c2ccco2)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609481583 1351993423 /nfs/dbraw/zinc/99/34/23/1351993423.db2.gz DIDUUAOSLSXISJ-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Cn1nc(-c2ccco2)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609481583 1351993424 /nfs/dbraw/zinc/99/34/24/1351993424.db2.gz DIDUUAOSLSXISJ-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Fc1ccc(OCc2nc(-c3cccs3)no2)c(-c2nnn[n-]2)n1 ZINC001609491305 1351996768 /nfs/dbraw/zinc/99/67/68/1351996768.db2.gz WPXQZKCQNBWJOI-UHFFFAOYSA-N -1 1 345.319 2.091 20 0 EEADMM Fc1ccc(OCc2nc(-c3cccs3)no2)c(-c2nn[n-]n2)n1 ZINC001609491305 1351996771 /nfs/dbraw/zinc/99/67/71/1351996771.db2.gz WPXQZKCQNBWJOI-UHFFFAOYSA-N -1 1 345.319 2.091 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1cnc(-c2nn[n-]n2)cn1 ZINC001609484216 1351993999 /nfs/dbraw/zinc/99/39/99/1351993999.db2.gz ZDMDYONZCMOGEO-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(Cl)cc1 ZINC001609529381 1352005464 /nfs/dbraw/zinc/00/54/64/1352005464.db2.gz GNFIKVAGVHZZJA-UHFFFAOYSA-N -1 1 332.703 2.153 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CCC(F)(F)F)CC1CC1 ZINC001609583401 1352026091 /nfs/dbraw/zinc/02/60/91/1352026091.db2.gz WZXBJOAVOQWLML-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CCC(F)(F)F)CC1CC1 ZINC001609583401 1352026093 /nfs/dbraw/zinc/02/60/93/1352026093.db2.gz WZXBJOAVOQWLML-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM c1ccc(Oc2ccc(CNc3cnc(-c4nnn[n-]4)cn3)cn2)cc1 ZINC001609617670 1352041305 /nfs/dbraw/zinc/04/13/05/1352041305.db2.gz LFOVUTKTPUFZSZ-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2ccc(CNc3cnc(-c4nn[n-]n4)cn3)cn2)cc1 ZINC001609617670 1352041308 /nfs/dbraw/zinc/04/13/08/1352041308.db2.gz LFOVUTKTPUFZSZ-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1sc(CN2CCc3[nH]c4ccccc4c3C2)nc1-c1nnn[n-]1 ZINC001609618809 1352041954 /nfs/dbraw/zinc/04/19/54/1352041954.db2.gz POMQHSKTUDMRPA-UHFFFAOYSA-N -1 1 337.412 2.363 20 0 EEADMM c1sc(CN2CCc3[nH]c4ccccc4c3C2)nc1-c1nn[n-]n1 ZINC001609618809 1352041959 /nfs/dbraw/zinc/04/19/59/1352041959.db2.gz POMQHSKTUDMRPA-UHFFFAOYSA-N -1 1 337.412 2.363 20 0 EEADMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC001335528868 1336390611 /nfs/dbraw/zinc/39/06/11/1336390611.db2.gz JSCMLOWCAQHNBO-BDAKNGLRSA-N -1 1 325.217 2.234 20 0 EEADMM CC(C)(N)c1noc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC001609678440 1352056592 /nfs/dbraw/zinc/05/65/92/1352056592.db2.gz KIELFMVFWKPPST-OLZOCXBDSA-N -1 1 336.436 2.119 20 0 EEADMM C[C@H](NC(=O)Cc1[nH]nc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001609762878 1352079378 /nfs/dbraw/zinc/07/93/78/1352079378.db2.gz MPPIKBSEVLGXCF-QMMMGPOBSA-N -1 1 330.369 2.138 20 0 EEADMM C[C@H](Oc1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1)C(=O)[O-] ZINC001609802970 1352089072 /nfs/dbraw/zinc/08/90/72/1352089072.db2.gz NHVSBNYRCQSPGM-IFXJQAMLSA-N -1 1 349.427 2.308 20 0 EEADMM Cn1c(Cc2nnn[n-]2)nnc1N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001338271583 1336829560 /nfs/dbraw/zinc/82/95/60/1336829560.db2.gz ITMCAALXHWXZPV-GFCCVEGCSA-N -1 1 338.419 2.200 20 0 EEADMM Cn1c(Cc2nn[n-]n2)nnc1N1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001338271583 1336829561 /nfs/dbraw/zinc/82/95/61/1336829561.db2.gz ITMCAALXHWXZPV-GFCCVEGCSA-N -1 1 338.419 2.200 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1F ZINC001339505722 1337017160 /nfs/dbraw/zinc/01/71/60/1337017160.db2.gz HOOASFZWFAHURK-UHFFFAOYSA-N -1 1 348.359 2.461 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(Cl)nc(Cl)c1 ZINC001609869482 1352107504 /nfs/dbraw/zinc/10/75/04/1352107504.db2.gz FIPRYGNHDSNFQM-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C[C@H]1C ZINC001610004894 1352138848 /nfs/dbraw/zinc/13/88/48/1352138848.db2.gz RYXPJZORSHHTIP-NEPJUHHUSA-N -1 1 335.404 2.340 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001351675715 1337837282 /nfs/dbraw/zinc/83/72/82/1337837282.db2.gz DDVBEOFDGQOFPI-KWCYVHTRSA-N -1 1 327.409 2.238 20 0 EEADMM COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001610160040 1352176454 /nfs/dbraw/zinc/17/64/54/1352176454.db2.gz WYFBNPBXRWOXFX-BXUZGUMPSA-N -1 1 349.280 2.379 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CCCCCCC2)cc(C(=O)[O-])c1 ZINC001610202757 1352185172 /nfs/dbraw/zinc/18/51/72/1352185172.db2.gz OLBXGSNUYZHRSQ-UHFFFAOYSA-N -1 1 348.399 2.376 20 0 EEADMM O=C([N-]c1nc(-c2ccccc2)no1)c1cn(Cc2ccccn2)nn1 ZINC001610229797 1352190521 /nfs/dbraw/zinc/19/05/21/1352190521.db2.gz NFVDZKBHQMAGOW-UHFFFAOYSA-N -1 1 347.338 2.024 20 0 EEADMM Cc1[nH]ncc1CCCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001610404386 1352217509 /nfs/dbraw/zinc/21/75/09/1352217509.db2.gz DJMCFJYIZSZXQG-UHFFFAOYSA-N -1 1 342.399 2.117 20 0 EEADMM Cc1c(O)ccc2c(CN3CCSC[C@H]3CC(=O)[O-])cc(=O)oc12 ZINC001610427083 1352220897 /nfs/dbraw/zinc/22/08/97/1352220897.db2.gz KWUCZOAXWHAAIU-GFCCVEGCSA-N -1 1 349.408 2.199 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@@H](N)c2ccccc2C)C(=O)[O-])cc1 ZINC001610491764 1352232450 /nfs/dbraw/zinc/23/24/50/1352232450.db2.gz OGXKCCXXMFPMSS-IRXDYDNUSA-N -1 1 326.396 2.288 20 0 EEADMM Cc1ccc2c(CC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)coc2c1 ZINC001610517107 1352237021 /nfs/dbraw/zinc/23/70/21/1352237021.db2.gz KVIRGVQMDOFFOG-AWEZNQCLSA-N -1 1 344.411 2.291 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610547470 1352242918 /nfs/dbraw/zinc/24/29/18/1352242918.db2.gz BYTGBVZAJFUXMO-UHFFFAOYSA-N -1 1 345.355 2.335 20 0 EEADMM Cc1sc(NC(=O)CN2C[C@@H](C)N(C)C[C@@H]2C)c(C(=O)[O-])c1C ZINC001610592014 1352250563 /nfs/dbraw/zinc/25/05/63/1352250563.db2.gz QFQUZTLJIPXMMK-ZJUUUORDSA-N -1 1 339.461 2.026 20 0 EEADMM O=C([O-])COc1cccc(CNCc2ccc(-c3cc[nH]n3)o2)c1 ZINC001610788966 1352274965 /nfs/dbraw/zinc/27/49/65/1352274965.db2.gz RVXJLUWOYBSIKZ-UHFFFAOYSA-N -1 1 327.340 2.423 20 0 EEADMM O=C([O-])c1cc(NC(=O)N2CCN(CC3CC3)CC2)cc2[nH]ccc21 ZINC001610815192 1352279506 /nfs/dbraw/zinc/27/95/06/1352279506.db2.gz UGBXWDSRNOQEDD-UHFFFAOYSA-N -1 1 342.399 2.426 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(c3nnc4ccccn43)CC2)n1 ZINC001610846216 1352284846 /nfs/dbraw/zinc/28/48/46/1352284846.db2.gz VFPNYUIXQRBJST-UHFFFAOYSA-N -1 1 337.383 2.202 20 0 EEADMM CCCCC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001429912230 1340055326 /nfs/dbraw/zinc/05/53/26/1340055326.db2.gz BMHQAEVPAKFECU-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CCC(CC)(CC)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001430432210 1340221495 /nfs/dbraw/zinc/22/14/95/1340221495.db2.gz YIVHOFFMZKKKJX-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)[C@H](CNC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001431212198 1340503514 /nfs/dbraw/zinc/50/35/14/1340503514.db2.gz OMOQBMLEQCQKOR-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ccccc1OCc1ccc(F)cc1)c1nn[n-]n1 ZINC001617642586 1352343177 /nfs/dbraw/zinc/34/31/77/1352343177.db2.gz RYURLURDPNIXSW-UHFFFAOYSA-N -1 1 327.319 2.194 20 0 EEADMM C=CCNc1nc(C(=O)OCC(=O)c2ccc([O-])cc2O)cs1 ZINC000018263602 1352358238 /nfs/dbraw/zinc/35/82/38/1352358238.db2.gz NDCUTPKHMQCKRQ-UHFFFAOYSA-N -1 1 334.353 2.192 20 0 EEADMM CC(C)(C)CC(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432863353 1341418543 /nfs/dbraw/zinc/41/85/43/1341418543.db2.gz VUQJVHQOEAALFR-SFHVURJKSA-N -1 1 333.432 2.238 20 0 EEADMM CSc1ncc(C(=O)Nc2cc(C)ccc2NC(C)=O)c(=O)[n-]1 ZINC001433656727 1341651591 /nfs/dbraw/zinc/65/15/91/1341651591.db2.gz PYAWOBSXGOXVJO-UHFFFAOYSA-N -1 1 332.385 2.423 20 0 EEADMM O=C(Nc1ncc(CCO)s1)c1ccc2ccc(O)cc2c1[O-] ZINC001556867619 1342437084 /nfs/dbraw/zinc/43/70/84/1342437084.db2.gz UUIXCQGMDSYLJL-UHFFFAOYSA-N -1 1 330.365 2.495 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001557766534 1342455947 /nfs/dbraw/zinc/45/59/47/1342455947.db2.gz ZUYOTUSIIVSLQL-QGZVFWFLSA-N -1 1 349.390 2.433 20 0 EEADMM CC(C)Oc1cncc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001574342093 1343673840 /nfs/dbraw/zinc/67/38/40/1343673840.db2.gz JCQHBFHZSLCIAA-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CN(C)Cc1ccnc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001574550208 1343682400 /nfs/dbraw/zinc/68/24/00/1343682400.db2.gz HRNXAZRAMHCQMR-OAHLLOKOSA-N -1 1 342.399 2.133 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001577905687 1344212207 /nfs/dbraw/zinc/21/22/07/1344212207.db2.gz XVSKPEBCZBMOOE-NSHDSACASA-N -1 1 348.321 2.095 20 0 EEADMM CN(C(=O)[C@@H]1CCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001578858011 1344309694 /nfs/dbraw/zinc/30/96/94/1344309694.db2.gz FLMXXALBUXVZBQ-CQSZACIVSA-N -1 1 338.346 2.094 20 0 EEADMM CN(C(=O)[C@@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001578858011 1344309702 /nfs/dbraw/zinc/30/97/02/1344309702.db2.gz FLMXXALBUXVZBQ-CQSZACIVSA-N -1 1 338.346 2.094 20 0 EEADMM COc1cc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)ccc1Cl ZINC001579923097 1344432646 /nfs/dbraw/zinc/43/26/46/1344432646.db2.gz KXRFXCTVBKRZQD-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM COc1cc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)ccc1Cl ZINC001579923097 1344432647 /nfs/dbraw/zinc/43/26/47/1344432647.db2.gz KXRFXCTVBKRZQD-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM COc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1OC(F)F ZINC001579935745 1344435444 /nfs/dbraw/zinc/43/54/44/1344435444.db2.gz DKBGEXLYINNGNJ-UHFFFAOYSA-N -1 1 335.274 2.010 20 0 EEADMM COc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1OC(F)F ZINC001579935745 1344435452 /nfs/dbraw/zinc/43/54/52/1344435452.db2.gz DKBGEXLYINNGNJ-UHFFFAOYSA-N -1 1 335.274 2.010 20 0 EEADMM COc1ccccc1SCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580083455 1344469329 /nfs/dbraw/zinc/46/93/29/1344469329.db2.gz JGCXEKXIACXOQS-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM COc1ccccc1SCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580083455 1344469330 /nfs/dbraw/zinc/46/93/30/1344469330.db2.gz JGCXEKXIACXOQS-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM C[C@@]12CSC[C@@H]1CN(c1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001580391909 1344516481 /nfs/dbraw/zinc/51/64/81/1344516481.db2.gz VCNJUOLBZYKBSW-UPONEAKYSA-N -1 1 328.854 2.166 20 0 EEADMM C[C@@]12CSC[C@@H]1CN(c1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001580391909 1344516483 /nfs/dbraw/zinc/51/64/83/1344516483.db2.gz VCNJUOLBZYKBSW-UPONEAKYSA-N -1 1 328.854 2.166 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccc(Cl)cc1 ZINC001582559395 1344763705 /nfs/dbraw/zinc/76/37/05/1344763705.db2.gz VESSZBBWTLFNEX-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccc(Cl)cc1 ZINC001582559395 1344763711 /nfs/dbraw/zinc/76/37/11/1344763711.db2.gz VESSZBBWTLFNEX-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C([N-]c1cc(-c2nn[nH]n2)c(F)cc1F)c1ncc(F)cc1F ZINC001582632460 1344771370 /nfs/dbraw/zinc/77/13/70/1344771370.db2.gz KOGHHYGDXKTPDY-UHFFFAOYSA-N -1 1 338.224 2.070 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1cncc(-c2nnn[n-]2)n1 ZINC001582818843 1344797644 /nfs/dbraw/zinc/79/76/44/1344797644.db2.gz JEFXPPXWHBAOLR-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1cncc(-c2nn[n-]n2)n1 ZINC001582818843 1344797648 /nfs/dbraw/zinc/79/76/48/1344797648.db2.gz JEFXPPXWHBAOLR-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM CCc1ccc(-c2csc(NC(=O)c3nnc([O-])[nH]c3=O)n2)s1 ZINC001585255401 1348788714 /nfs/dbraw/zinc/78/87/14/1348788714.db2.gz ZUIBNCWZMLYPEO-UHFFFAOYSA-N -1 1 349.397 2.283 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588770026 1348933393 /nfs/dbraw/zinc/93/33/93/1348933393.db2.gz DIVLDOYFFXUAKV-XFFZJAGNSA-N -1 1 340.412 2.351 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588770026 1348933397 /nfs/dbraw/zinc/93/33/97/1348933397.db2.gz DIVLDOYFFXUAKV-XFFZJAGNSA-N -1 1 340.412 2.351 20 0 EEADMM CC(=O)N1CC[C@@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001588812721 1348938568 /nfs/dbraw/zinc/93/85/68/1348938568.db2.gz PDGXQFNGSYAIQH-CQSZACIVSA-N -1 1 349.398 2.480 20 0 EEADMM CC(=O)N1CC[C@@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001588812721 1348938570 /nfs/dbraw/zinc/93/85/70/1348938570.db2.gz PDGXQFNGSYAIQH-CQSZACIVSA-N -1 1 349.398 2.480 20 0 EEADMM CC(C)(C)C[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589119727 1348962161 /nfs/dbraw/zinc/96/21/61/1348962161.db2.gz WXGHVEGQVSZCKA-SECBINFHSA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)C[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589119727 1348962165 /nfs/dbraw/zinc/96/21/65/1348962165.db2.gz WXGHVEGQVSZCKA-SECBINFHSA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001589193094 1348968163 /nfs/dbraw/zinc/96/81/63/1348968163.db2.gz HRRGCNPFENQWOU-UHFFFAOYSA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001589372589 1348987987 /nfs/dbraw/zinc/98/79/87/1348987987.db2.gz UEXFTFIVAKROHY-GXTWGEPZSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001589372589 1348987988 /nfs/dbraw/zinc/98/79/88/1348987988.db2.gz UEXFTFIVAKROHY-GXTWGEPZSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001589612915 1349010849 /nfs/dbraw/zinc/01/08/49/1349010849.db2.gz NPAVOPMYVYRAHX-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001589612915 1349010851 /nfs/dbraw/zinc/01/08/51/1349010851.db2.gz NPAVOPMYVYRAHX-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001589754949 1349029908 /nfs/dbraw/zinc/02/99/08/1349029908.db2.gz VXQPGLDRHKAUJB-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001589754949 1349029912 /nfs/dbraw/zinc/02/99/12/1349029912.db2.gz VXQPGLDRHKAUJB-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccns1 ZINC001589938133 1349068789 /nfs/dbraw/zinc/06/87/89/1349068789.db2.gz SVTJVAMIIBXKMD-QMMMGPOBSA-N -1 1 339.384 2.296 20 0 EEADMM C[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001589938540 1349069624 /nfs/dbraw/zinc/06/96/24/1349069624.db2.gz KKIWQEXJUPUGSS-YFKPBYRVSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589945238 1349072132 /nfs/dbraw/zinc/07/21/32/1349072132.db2.gz NIFXTKAXTKKKQS-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@]1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCc2ccccc21 ZINC001590074616 1349138469 /nfs/dbraw/zinc/13/84/69/1349138469.db2.gz VNNOXSBLRYAYFB-GOSISDBHSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@@]1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCc2ccccc21 ZINC001590074616 1349138473 /nfs/dbraw/zinc/13/84/73/1349138473.db2.gz VNNOXSBLRYAYFB-GOSISDBHSA-N -1 1 335.367 2.209 20 0 EEADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)C[C@](C)(C(F)(F)F)O1 ZINC001590108202 1349157312 /nfs/dbraw/zinc/15/73/12/1349157312.db2.gz SFPVVCDINNKLHM-CYBMUJFWSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)C[C@](C)(C(F)(F)F)O1 ZINC001590108202 1349157321 /nfs/dbraw/zinc/15/73/21/1349157321.db2.gz SFPVVCDINNKLHM-CYBMUJFWSA-N -1 1 342.325 2.198 20 0 EEADMM C[C@H]1CC(=O)Oc2cc(OCc3ccnc(-c4nnn[n-]4)c3)ccc21 ZINC001590180973 1349183654 /nfs/dbraw/zinc/18/36/54/1349183654.db2.gz ZPGJBWGMYPVDHB-JTQLQIEISA-N -1 1 337.339 2.253 20 0 EEADMM C[C@H]1CC(=O)Oc2cc(OCc3ccnc(-c4nn[n-]n4)c3)ccc21 ZINC001590180973 1349183657 /nfs/dbraw/zinc/18/36/57/1349183657.db2.gz ZPGJBWGMYPVDHB-JTQLQIEISA-N -1 1 337.339 2.253 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590215779 1349204434 /nfs/dbraw/zinc/20/44/34/1349204434.db2.gz XPQLWKIPBMRCBC-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590215779 1349204438 /nfs/dbraw/zinc/20/44/38/1349204438.db2.gz XPQLWKIPBMRCBC-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@H]1C ZINC001590222080 1349208314 /nfs/dbraw/zinc/20/83/14/1349208314.db2.gz FNLCRSCYRZJQFT-FXPVBKGRSA-N -1 1 329.408 2.478 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001590235686 1349215659 /nfs/dbraw/zinc/21/56/59/1349215659.db2.gz ABLZTWLPTDBNJC-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001590235686 1349215663 /nfs/dbraw/zinc/21/56/63/1349215663.db2.gz ABLZTWLPTDBNJC-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590252259 1349226680 /nfs/dbraw/zinc/22/66/80/1349226680.db2.gz KLAOSSUUQIQYDK-ZJUUUORDSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590252259 1349226683 /nfs/dbraw/zinc/22/66/83/1349226683.db2.gz KLAOSSUUQIQYDK-ZJUUUORDSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590342287 1349277484 /nfs/dbraw/zinc/27/74/84/1349277484.db2.gz FCDPCIZSTOWZQE-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590342287 1349277488 /nfs/dbraw/zinc/27/74/88/1349277488.db2.gz FCDPCIZSTOWZQE-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM CCC1(CC)CCN(Cn2ccc(C)c(-c3nnn[n-]3)c2=O)CC1 ZINC001590491305 1349354726 /nfs/dbraw/zinc/35/47/26/1349354726.db2.gz RHYPGCIFUBSRKM-UHFFFAOYSA-N -1 1 330.436 2.197 20 0 EEADMM CCCC1CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590572874 1349373082 /nfs/dbraw/zinc/37/30/82/1349373082.db2.gz VKOIMUPKBOCOOZ-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM CCN(C1CCCC1)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590678985 1349386458 /nfs/dbraw/zinc/38/64/58/1349386458.db2.gz MCQQYOAUECLBQH-UHFFFAOYSA-N -1 1 341.462 2.023 20 0 EEADMM CCn1c(CCNc2cccnc2-c2nnn[n-]2)nc2ccccc21 ZINC001590945433 1349422522 /nfs/dbraw/zinc/42/25/22/1349422522.db2.gz IFWZPJGEMOBGCP-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCn1c(CCNc2cccnc2-c2nn[n-]n2)nc2ccccc21 ZINC001590945433 1349422527 /nfs/dbraw/zinc/42/25/27/1349422527.db2.gz IFWZPJGEMOBGCP-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM COC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001591382202 1349476313 /nfs/dbraw/zinc/47/63/13/1349476313.db2.gz FIYFYKRXVMGQPB-HNNXBMFYSA-N -1 1 346.341 2.070 20 0 EEADMM COC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001591382202 1349476319 /nfs/dbraw/zinc/47/63/19/1349476319.db2.gz FIYFYKRXVMGQPB-HNNXBMFYSA-N -1 1 346.341 2.070 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591604888 1349513175 /nfs/dbraw/zinc/51/31/75/1349513175.db2.gz MRPZQBFQMVEHEU-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591604888 1349513177 /nfs/dbraw/zinc/51/31/77/1349513177.db2.gz MRPZQBFQMVEHEU-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(O[C@@H](C)CNc2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001591619790 1349516442 /nfs/dbraw/zinc/51/64/42/1349516442.db2.gz WFLJWHBYJXENPW-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc(O[C@@H](C)CNc2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001591619790 1349516445 /nfs/dbraw/zinc/51/64/45/1349516445.db2.gz WFLJWHBYJXENPW-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1cc(C(=O)CSCc2nc(-c3nnn[n-]3)cs2)c(C)[nH]1 ZINC001591906800 1349554580 /nfs/dbraw/zinc/55/45/80/1349554580.db2.gz IGXDENNGYXQBIR-UHFFFAOYSA-N -1 1 334.430 2.384 20 0 EEADMM Cc1cc(C(=O)CSCc2nc(-c3nn[n-]n3)cs2)c(C)[nH]1 ZINC001591906800 1349554589 /nfs/dbraw/zinc/55/45/89/1349554589.db2.gz IGXDENNGYXQBIR-UHFFFAOYSA-N -1 1 334.430 2.384 20 0 EEADMM Cc1nsc(NC(=O)Cc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC001592173920 1349600832 /nfs/dbraw/zinc/60/08/32/1349600832.db2.gz VZCNDRGCBAROOT-UHFFFAOYSA-N -1 1 332.364 2.260 20 0 EEADMM Cc1nsc(NC(=O)Cc2cc(C)ccc2F)c1-c1nn[n-]n1 ZINC001592173920 1349600834 /nfs/dbraw/zinc/60/08/34/1349600834.db2.gz VZCNDRGCBAROOT-UHFFFAOYSA-N -1 1 332.364 2.260 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)nc1-c1nnn[n-]1 ZINC001592174335 1349601989 /nfs/dbraw/zinc/60/19/89/1349601989.db2.gz AVLAIIOURKNYJH-ZJUUUORDSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001592174335 1349601995 /nfs/dbraw/zinc/60/19/95/1349601995.db2.gz AVLAIIOURKNYJH-ZJUUUORDSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(SCCn2cc(-c3nn[n-]n3)ccc2=O)cc1C ZINC001592197909 1349605318 /nfs/dbraw/zinc/60/53/18/1349605318.db2.gz JUEAFUVXSCDOSH-UHFFFAOYSA-N -1 1 327.413 2.438 20 0 EEADMM Cc1ccc(SCCn2ccc(-c3nn[n-]n3)cc2=O)cc1C ZINC001592198727 1349606095 /nfs/dbraw/zinc/60/60/95/1349606095.db2.gz VHQLPZFNGHPMRW-UHFFFAOYSA-N -1 1 327.413 2.438 20 0 EEADMM Cc1ccc2ncc(COC(=O)c3cccc(-c4nnn[n-]4)n3)cc2c1 ZINC001592210787 1349610954 /nfs/dbraw/zinc/61/09/54/1349610954.db2.gz XTKRSRWCBNCFST-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ccc2ncc(COC(=O)c3cccc(-c4nn[n-]n4)n3)cc2c1 ZINC001592210787 1349610959 /nfs/dbraw/zinc/61/09/59/1349610959.db2.gz XTKRSRWCBNCFST-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1nc(NCc2nc(-c3nnn[n-]3)cs2)cc(C(F)(F)F)n1 ZINC001592394777 1349626871 /nfs/dbraw/zinc/62/68/71/1349626871.db2.gz YOMBFKJRMRPSCE-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1nc(NCc2nc(-c3nn[n-]n3)cs2)cc(C(F)(F)F)n1 ZINC001592394777 1349626874 /nfs/dbraw/zinc/62/68/74/1349626874.db2.gz YOMBFKJRMRPSCE-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592425541 1349629634 /nfs/dbraw/zinc/62/96/34/1349629634.db2.gz LMJZZHXLNHPKDP-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592425541 1349629637 /nfs/dbraw/zinc/62/96/37/1349629637.db2.gz LMJZZHXLNHPKDP-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccccc2F)c1-c1nnn[n-]1 ZINC001592479733 1349635952 /nfs/dbraw/zinc/63/59/52/1349635952.db2.gz PGCYDKYJCFUFTF-SREVYHEPSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccccc2F)c1-c1nn[n-]n1 ZINC001592479733 1349635953 /nfs/dbraw/zinc/63/59/53/1349635953.db2.gz PGCYDKYJCFUFTF-SREVYHEPSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC001592496327 1349637274 /nfs/dbraw/zinc/63/72/74/1349637274.db2.gz DFTFXXNKDNBVDJ-ZDUSSCGKSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(c1ccccc1)[C@H]1CCOC1 ZINC001592496327 1349637275 /nfs/dbraw/zinc/63/72/75/1349637275.db2.gz DFTFXXNKDNBVDJ-ZDUSSCGKSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1C=CCCC1 ZINC001592504980 1349642641 /nfs/dbraw/zinc/64/26/41/1349642641.db2.gz VTOGKNVTPNGOID-LBPRGKRZSA-N -1 1 338.371 2.397 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1C=CCCC1 ZINC001592504980 1349642644 /nfs/dbraw/zinc/64/26/44/1349642644.db2.gz VTOGKNVTPNGOID-LBPRGKRZSA-N -1 1 338.371 2.397 20 0 EEADMM Clc1ccc2c(n1)[C@@H](NCc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001592533414 1349649399 /nfs/dbraw/zinc/64/93/99/1349649399.db2.gz TTWXLTUOIHPEBW-QMMMGPOBSA-N -1 1 333.808 2.149 20 0 EEADMM Clc1ccc2c(n1)[C@@H](NCc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001592533414 1349649402 /nfs/dbraw/zinc/64/94/02/1349649402.db2.gz TTWXLTUOIHPEBW-QMMMGPOBSA-N -1 1 333.808 2.149 20 0 EEADMM Clc1nsc(NC[C@]23C[C@H]2COC32CCC2)c1-c1nnn[n-]1 ZINC001592541857 1349653935 /nfs/dbraw/zinc/65/39/35/1349653935.db2.gz RNKVFHCVOPMTPT-JVXZTZIISA-N -1 1 338.824 2.348 20 0 EEADMM Clc1nsc(NC[C@]23C[C@H]2COC32CCC2)c1-c1nn[n-]n1 ZINC001592541857 1349653939 /nfs/dbraw/zinc/65/39/39/1349653939.db2.gz RNKVFHCVOPMTPT-JVXZTZIISA-N -1 1 338.824 2.348 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001592647059 1349692257 /nfs/dbraw/zinc/69/22/57/1349692257.db2.gz IBCFGGWSDLEPGP-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(-n2ccc(COc3cccnc3-c3nnn[n-]3)n2)c1 ZINC001592654678 1349700236 /nfs/dbraw/zinc/70/02/36/1349700236.db2.gz JNLZTGHIPURXGK-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1cccc(-n2ccc(COc3cccnc3-c3nn[n-]n3)n2)c1 ZINC001592654678 1349700238 /nfs/dbraw/zinc/70/02/38/1349700238.db2.gz JNLZTGHIPURXGK-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Nc1c(Cl)cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592755118 1349712300 /nfs/dbraw/zinc/71/23/00/1349712300.db2.gz YRFTZKGGNSUXNL-UHFFFAOYSA-N -1 1 330.735 2.060 20 0 EEADMM O=C(CCCC(F)(F)F)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592832537 1349717250 /nfs/dbraw/zinc/71/72/50/1349717250.db2.gz YJOPNIYSIBHWCA-UHFFFAOYSA-N -1 1 349.263 2.494 20 0 EEADMM O=C(CCCC(F)(F)F)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592832537 1349717256 /nfs/dbraw/zinc/71/72/56/1349717256.db2.gz YJOPNIYSIBHWCA-UHFFFAOYSA-N -1 1 349.263 2.494 20 0 EEADMM O=C(N[C@@H]1CCCC1(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592976808 1349731397 /nfs/dbraw/zinc/73/13/97/1349731397.db2.gz IMZIYLPVJLNEMW-SNVBAGLBSA-N -1 1 332.314 2.266 20 0 EEADMM C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ncc(C(=O)[O-])s1 ZINC001593146175 1349742142 /nfs/dbraw/zinc/74/21/42/1349742142.db2.gz LTUXJUHNZIAYKO-MRVPVSSYSA-N -1 1 343.364 2.174 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593287628 1349763985 /nfs/dbraw/zinc/76/39/85/1349763985.db2.gz KRKCSABIDCRVTL-UHFFFAOYSA-N -1 1 328.328 2.223 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593287628 1349763989 /nfs/dbraw/zinc/76/39/89/1349763989.db2.gz KRKCSABIDCRVTL-UHFFFAOYSA-N -1 1 328.328 2.223 20 0 EEADMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593309087 1349778180 /nfs/dbraw/zinc/77/81/80/1349778180.db2.gz WZRFIHFLIACJQU-UHFFFAOYSA-N -1 1 339.311 2.027 20 0 EEADMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593309087 1349778185 /nfs/dbraw/zinc/77/81/85/1349778185.db2.gz WZRFIHFLIACJQU-UHFFFAOYSA-N -1 1 339.311 2.027 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2cccc(F)c21 ZINC001593327880 1349781032 /nfs/dbraw/zinc/78/10/32/1349781032.db2.gz QTXKCKSCAINRKX-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2cccc(F)c21 ZINC001593327880 1349781035 /nfs/dbraw/zinc/78/10/35/1349781035.db2.gz QTXKCKSCAINRKX-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cc(F)ccc1F)CCCC2 ZINC001593490159 1349817497 /nfs/dbraw/zinc/81/74/97/1349817497.db2.gz CTBJWMNYBHCAIC-UHFFFAOYSA-N -1 1 343.337 2.234 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC[C@@H]2CCCCO2)c2ccccc12 ZINC001593494144 1349819262 /nfs/dbraw/zinc/81/92/62/1349819262.db2.gz GJFBCJIVKHXPNM-LBPRGKRZSA-N -1 1 325.372 2.141 20 0 EEADMM c1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc2c1OCC2 ZINC001593564077 1349850670 /nfs/dbraw/zinc/85/06/70/1349850670.db2.gz DCZKCCYYGUNUEH-UHFFFAOYSA-N -1 1 335.371 2.081 20 0 EEADMM c1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc2c1OCC2 ZINC001593564077 1349850676 /nfs/dbraw/zinc/85/06/76/1349850676.db2.gz DCZKCCYYGUNUEH-UHFFFAOYSA-N -1 1 335.371 2.081 20 0 EEADMM c1[nH]c(CCNc2cccc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC001593566989 1349852657 /nfs/dbraw/zinc/85/26/57/1349852657.db2.gz YFJNVNRBUCMKCM-UHFFFAOYSA-N -1 1 332.371 2.306 20 0 EEADMM Cc1cc(CN2CCCN(Cc3csc(C(=O)[O-])c3)CC2)no1 ZINC001600196935 1349990787 /nfs/dbraw/zinc/99/07/87/1349990787.db2.gz LQYFHNNBEYXDKZ-UHFFFAOYSA-N -1 1 335.429 2.451 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001600349790 1350026051 /nfs/dbraw/zinc/02/60/51/1350026051.db2.gz NTFOSTSIOFMINP-UHFFFAOYSA-N -1 1 347.289 2.194 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@H]2CCN2C2CCCC2)C(=O)[O-])cc1 ZINC001600378900 1350034591 /nfs/dbraw/zinc/03/45/91/1350034591.db2.gz NYORGXMRIPSGJQ-DLBZAZTESA-N -1 1 330.428 2.296 20 0 EEADMM Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC001600389023 1350038072 /nfs/dbraw/zinc/03/80/72/1350038072.db2.gz VOBRNYMOXRGXLU-LZWOXQAQSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)c1 ZINC001600458437 1350057031 /nfs/dbraw/zinc/05/70/31/1350057031.db2.gz LYMNQDZMDGELMZ-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001600675484 1350114551 /nfs/dbraw/zinc/11/45/51/1350114551.db2.gz BQYMNKQDVQXJKA-CYBMUJFWSA-N -1 1 343.170 2.150 20 0 EEADMM Cc1nnc(SCC(=O)Nc2c(C)sc(C)c2C(=O)[O-])[nH]1 ZINC001600675309 1350114725 /nfs/dbraw/zinc/11/47/25/1350114725.db2.gz SAUMBJGSAXPRNX-UHFFFAOYSA-N -1 1 326.403 2.220 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2c(C)sc(C)c2C(=O)[O-])n1 ZINC001600675309 1350114728 /nfs/dbraw/zinc/11/47/28/1350114728.db2.gz SAUMBJGSAXPRNX-UHFFFAOYSA-N -1 1 326.403 2.220 20 0 EEADMM Cc1nc(NC(=O)[C@H](C)N[C@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC001600711012 1350119450 /nfs/dbraw/zinc/11/94/50/1350119450.db2.gz ZZYCDIXTGSXZDY-SMDDNHRTSA-N -1 1 347.440 2.372 20 0 EEADMM Cc1nc([C@H](C)NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001600792074 1350138534 /nfs/dbraw/zinc/13/85/34/1350138534.db2.gz JVMPHRIXGJQVHU-ZETCQYMHSA-N -1 1 328.332 2.175 20 0 EEADMM NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601139395 1350219303 /nfs/dbraw/zinc/21/93/03/1350219303.db2.gz KRCYBOMZLBTJNH-TZMCWYRMSA-N -1 1 345.424 2.247 20 0 EEADMM Nc1cc(CCCCNC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccn1 ZINC001601211985 1350232274 /nfs/dbraw/zinc/23/22/74/1350232274.db2.gz BCXSAYPVLMILPI-FNORWQNLSA-N -1 1 329.356 2.107 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1F ZINC001601399877 1350274595 /nfs/dbraw/zinc/27/45/95/1350274595.db2.gz SOAMXIDBUYWTOH-HNNXBMFYSA-N -1 1 340.310 2.223 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001601482987 1350293588 /nfs/dbraw/zinc/29/35/88/1350293588.db2.gz RWLYKXIUPFLIID-ZDUSSCGKSA-N -1 1 343.383 2.015 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601717055 1350346883 /nfs/dbraw/zinc/34/68/83/1350346883.db2.gz OPBNRNRVHJXRLN-GXTWGEPZSA-N -1 1 335.297 2.107 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001601746761 1350354059 /nfs/dbraw/zinc/35/40/59/1350354059.db2.gz OJOJERSMQMFHTN-INIZCTEOSA-N -1 1 340.326 2.136 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]2C(=O)[O-] ZINC001601782112 1350363211 /nfs/dbraw/zinc/36/32/11/1350363211.db2.gz QVWGHFOCJJEBCX-YZKWQOGNSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@H]2C(=O)[O-] ZINC001601780074 1350363421 /nfs/dbraw/zinc/36/34/21/1350363421.db2.gz IYXKUAYVPSKOKB-YHQYMHHMSA-N -1 1 329.396 2.288 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1CN(CCO)Cc1cccnc1Cl ZINC001601809332 1350369395 /nfs/dbraw/zinc/36/93/95/1350369395.db2.gz QLLIHDOZPKZZNX-TZMCWYRMSA-N -1 1 326.824 2.420 20 0 EEADMM O=C([O-])Cc1ccnc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC001602151290 1350451988 /nfs/dbraw/zinc/45/19/88/1350451988.db2.gz XBNRTIBLKSNXCT-CYBMUJFWSA-N -1 1 327.388 2.088 20 0 EEADMM O=C([O-])Cc1ccnc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001602151290 1350451990 /nfs/dbraw/zinc/45/19/90/1350451990.db2.gz XBNRTIBLKSNXCT-CYBMUJFWSA-N -1 1 327.388 2.088 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001602169252 1350456703 /nfs/dbraw/zinc/45/67/03/1350456703.db2.gz HWRVMVFTZKWTTC-CQSZACIVSA-N -1 1 347.802 2.198 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)[nH]1 ZINC001602319567 1350492907 /nfs/dbraw/zinc/49/29/07/1350492907.db2.gz KZOVVKBCCVGEJR-MRXNPFEDSA-N -1 1 336.351 2.224 20 0 EEADMM O=C([O-])c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1F ZINC001602339934 1350498352 /nfs/dbraw/zinc/49/83/52/1350498352.db2.gz PWLSMTVXVHZYII-IAGOWNOFSA-N -1 1 331.343 2.148 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1n[nH]cc1Br)C2 ZINC001602419927 1350514996 /nfs/dbraw/zinc/51/49/96/1350514996.db2.gz JRBWOLSBSKWKBI-UHFFFAOYSA-N -1 1 336.145 2.026 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(O)(Cc3ccccc3F)CC2)n1 ZINC001602437718 1350519328 /nfs/dbraw/zinc/51/93/28/1350519328.db2.gz BPSVKEBIGRBTKZ-UHFFFAOYSA-N -1 1 344.386 2.489 20 0 EEADMM O=C([O-])c1ccccc1CC1CCN(CN2CCOC2=S)CC1 ZINC001602465423 1350525320 /nfs/dbraw/zinc/52/53/20/1350525320.db2.gz ANGSARKYNQWSNZ-UHFFFAOYSA-N -1 1 334.441 2.214 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC001602557065 1350545902 /nfs/dbraw/zinc/54/59/02/1350545902.db2.gz PLAJUVBUTKYLAH-NSHDSACASA-N -1 1 337.344 2.470 20 0 EEADMM O=C([O-])c1nsc(NC(=O)c2noc3c2CCc2ccccc2-3)n1 ZINC001602586666 1350551876 /nfs/dbraw/zinc/55/18/76/1350551876.db2.gz JATBTPGPMMLAHP-UHFFFAOYSA-N -1 1 342.336 2.242 20 0 EEADMM O=C([O-])c1sccc1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC001602595472 1350553600 /nfs/dbraw/zinc/55/36/00/1350553600.db2.gz RUUODHWYFMIWRS-HNNXBMFYSA-N -1 1 344.436 2.380 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccco1 ZINC001602902017 1350602466 /nfs/dbraw/zinc/60/24/66/1350602466.db2.gz QKBFNIAQEOAQBM-BQYQJAHWSA-N -1 1 325.332 2.102 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001602907293 1350604157 /nfs/dbraw/zinc/60/41/57/1350604157.db2.gz WYCTZMVFULYTIK-CMDGGOBGSA-N -1 1 341.400 2.093 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001602907293 1350604160 /nfs/dbraw/zinc/60/41/60/1350604160.db2.gz WYCTZMVFULYTIK-CMDGGOBGSA-N -1 1 341.400 2.093 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001602956420 1350610390 /nfs/dbraw/zinc/61/03/90/1350610390.db2.gz OKCPQWQCVYTKBG-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001602956420 1350610393 /nfs/dbraw/zinc/61/03/93/1350610393.db2.gz OKCPQWQCVYTKBG-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603275979 1350676863 /nfs/dbraw/zinc/67/68/63/1350676863.db2.gz BNCQVAPOVJGEIV-JTQLQIEISA-N -1 1 343.478 2.421 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603436956 1350705374 /nfs/dbraw/zinc/70/53/74/1350705374.db2.gz QNBBZTYZOXMXGD-JTQLQIEISA-N -1 1 339.421 2.049 20 0 EEADMM C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccnn1-c1ccccc1 ZINC001603668018 1350737943 /nfs/dbraw/zinc/73/79/43/1350737943.db2.gz OAIQTTXFJFNHDC-ZDUSSCGKSA-N -1 1 346.398 2.298 20 0 EEADMM CC(C)C[C@@H]1CN(C)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001603785121 1350767740 /nfs/dbraw/zinc/76/77/40/1350767740.db2.gz VZOACDDPOGZTQO-GFCCVEGCSA-N -1 1 339.461 2.047 20 0 EEADMM C[C@@H]1CC2(CN1C(=O)c1cccc(F)c1-c1nnn[n-]1)CCOCC2 ZINC001603871185 1350788345 /nfs/dbraw/zinc/78/83/45/1350788345.db2.gz KABYRUKVVBJELW-LLVKDONJSA-N -1 1 345.378 2.037 20 0 EEADMM C[C@@H]1CC2(CN1C(=O)c1cccc(F)c1-c1nn[n-]n1)CCOCC2 ZINC001603871185 1350788348 /nfs/dbraw/zinc/78/83/48/1350788348.db2.gz KABYRUKVVBJELW-LLVKDONJSA-N -1 1 345.378 2.037 20 0 EEADMM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603885046 1350792191 /nfs/dbraw/zinc/79/21/91/1350792191.db2.gz VRKCJLZWTDHFAW-PHIMTYICSA-N -1 1 335.433 2.482 20 0 EEADMM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603885046 1350792193 /nfs/dbraw/zinc/79/21/93/1350792193.db2.gz VRKCJLZWTDHFAW-PHIMTYICSA-N -1 1 335.433 2.482 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001603885042 1350792210 /nfs/dbraw/zinc/79/22/10/1350792210.db2.gz VRBOSSQRSWLXCU-MNOVXSKESA-N -1 1 342.403 2.099 20 0 EEADMM CC(C)Oc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001603942604 1350809929 /nfs/dbraw/zinc/80/99/29/1350809929.db2.gz YRCSJAGABKBAME-AWEZNQCLSA-N -1 1 348.443 2.448 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CCCCO1 ZINC001604063346 1350844387 /nfs/dbraw/zinc/84/43/87/1350844387.db2.gz DCTNENITXPVSCA-WCQYABFASA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CCCCO1 ZINC001604063346 1350844388 /nfs/dbraw/zinc/84/43/88/1350844388.db2.gz DCTNENITXPVSCA-WCQYABFASA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@@H](OCCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001604071925 1350847306 /nfs/dbraw/zinc/84/73/06/1350847306.db2.gz OQZKZJXDVCZWSS-CQSZACIVSA-N -1 1 325.376 2.237 20 0 EEADMM CC[C@@H](OCCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001604071925 1350847309 /nfs/dbraw/zinc/84/73/09/1350847309.db2.gz OQZKZJXDVCZWSS-CQSZACIVSA-N -1 1 325.376 2.237 20 0 EEADMM CCCCC(=O)NCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604158217 1350878541 /nfs/dbraw/zinc/87/85/41/1350878541.db2.gz VGDRAIHYNFRIQX-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CCCCC(=O)NCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604158217 1350878544 /nfs/dbraw/zinc/87/85/44/1350878544.db2.gz VGDRAIHYNFRIQX-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604205131 1350893037 /nfs/dbraw/zinc/89/30/37/1350893037.db2.gz WOVRPLCQTLQPHP-GFCCVEGCSA-N -1 1 347.394 2.427 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604205131 1350893041 /nfs/dbraw/zinc/89/30/41/1350893041.db2.gz WOVRPLCQTLQPHP-GFCCVEGCSA-N -1 1 347.394 2.427 20 0 EEADMM C[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ncc(C(=O)[O-])s1 ZINC001604286241 1350909627 /nfs/dbraw/zinc/90/96/27/1350909627.db2.gz HTBZEBLCUJSTPW-APPZFPTMSA-N -1 1 335.389 2.002 20 0 EEADMM C[C@@H](N[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(O)c1 ZINC001604357382 1350922867 /nfs/dbraw/zinc/92/28/67/1350922867.db2.gz IQROGUSGUYVGNS-OLZOCXBDSA-N -1 1 342.395 2.446 20 0 EEADMM CCOC(=O)c1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001604387930 1350927274 /nfs/dbraw/zinc/92/72/74/1350927274.db2.gz DAFFJRIEJBHRNO-UHFFFAOYSA-N -1 1 344.352 2.324 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C12CCC2 ZINC001604411422 1350932440 /nfs/dbraw/zinc/93/24/40/1350932440.db2.gz CCNSAMVFJIAIED-NWDGAFQWSA-N -1 1 333.417 2.006 20 0 EEADMM CCc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC001604517591 1350953208 /nfs/dbraw/zinc/95/32/08/1350953208.db2.gz BJISQGPFSSYOHA-UHFFFAOYSA-N -1 1 347.375 2.369 20 0 EEADMM CCc1cnccc1[C@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604538881 1350957697 /nfs/dbraw/zinc/95/76/97/1350957697.db2.gz MKDGKKHALRIIFQ-JTQLQIEISA-N -1 1 340.362 2.454 20 0 EEADMM CCc1cnccc1[C@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604538881 1350957699 /nfs/dbraw/zinc/95/76/99/1350957699.db2.gz MKDGKKHALRIIFQ-JTQLQIEISA-N -1 1 340.362 2.454 20 0 EEADMM CCn1cc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)cn1 ZINC001604606045 1350968877 /nfs/dbraw/zinc/96/88/77/1350968877.db2.gz KQPZDNIOIZKVDL-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CCn1cc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)cn1 ZINC001604606045 1350968880 /nfs/dbraw/zinc/96/88/80/1350968880.db2.gz KQPZDNIOIZKVDL-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CN(C)c1ccccc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604702109 1350988251 /nfs/dbraw/zinc/98/82/51/1350988251.db2.gz IWTNWFDTVPJAMH-UHFFFAOYSA-N -1 1 336.403 2.212 20 0 EEADMM CN(C)c1ccccc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604702109 1350988252 /nfs/dbraw/zinc/98/82/52/1350988252.db2.gz IWTNWFDTVPJAMH-UHFFFAOYSA-N -1 1 336.403 2.212 20 0 EEADMM CN(C)c1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cn1 ZINC001604704772 1350988831 /nfs/dbraw/zinc/98/88/31/1350988831.db2.gz YFYVVCNTDVTJAC-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001604766653 1350999177 /nfs/dbraw/zinc/99/91/77/1350999177.db2.gz KHIAPYFSFDRPGQ-RFAUZJTJSA-N -1 1 331.347 2.229 20 0 EEADMM C[C@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@@]2(CCOC2)O1 ZINC001604799379 1351008535 /nfs/dbraw/zinc/00/85/35/1351008535.db2.gz IGUYECJHQGTSFX-KBXCAEBGSA-N -1 1 331.412 2.183 20 0 EEADMM COC(=O)C[C@H](C)Sc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604931661 1351033766 /nfs/dbraw/zinc/03/37/66/1351033766.db2.gz NYJYZIIOBGHVJR-LURJTMIESA-N -1 1 347.322 2.324 20 0 EEADMM COC(=O)C[C@H](C)Sc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604931661 1351033769 /nfs/dbraw/zinc/03/37/69/1351033769.db2.gz NYJYZIIOBGHVJR-LURJTMIESA-N -1 1 347.322 2.324 20 0 EEADMM CC[C@H](NCC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC001605097157 1351078251 /nfs/dbraw/zinc/07/82/51/1351078251.db2.gz WEYAWIYLHZLLGD-NSHDSACASA-N -1 1 329.194 2.149 20 0 EEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)ccc1F ZINC001605193113 1351100437 /nfs/dbraw/zinc/10/04/37/1351100437.db2.gz SMMAOMDHOYSHGN-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)ccc1F ZINC001605193113 1351100440 /nfs/dbraw/zinc/10/04/40/1351100440.db2.gz SMMAOMDHOYSHGN-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM COc1ccc(C2CC2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605265626 1351119260 /nfs/dbraw/zinc/11/92/60/1351119260.db2.gz HBVHIOUOHBWMNR-UHFFFAOYSA-N -1 1 336.355 2.400 20 0 EEADMM COc1ccc(C2CC2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605265626 1351119263 /nfs/dbraw/zinc/11/92/63/1351119263.db2.gz HBVHIOUOHBWMNR-UHFFFAOYSA-N -1 1 336.355 2.400 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1csc(-c3nn[n-]n3)c1)CC2 ZINC001605309030 1351132816 /nfs/dbraw/zinc/13/28/16/1351132816.db2.gz YQXCWTGRDMJKTP-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1ccccc1C1(NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001605331206 1351138825 /nfs/dbraw/zinc/13/88/25/1351138825.db2.gz HNIJGNDIOAVSHN-UHFFFAOYSA-N -1 1 328.401 2.111 20 0 EEADMM COc1ccccc1C1(NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001605331206 1351138826 /nfs/dbraw/zinc/13/88/26/1351138826.db2.gz HNIJGNDIOAVSHN-UHFFFAOYSA-N -1 1 328.401 2.111 20 0 EEADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC001605428448 1351157031 /nfs/dbraw/zinc/15/70/31/1351157031.db2.gz SLTIYQCDFSMXOV-CABCVRRESA-N -1 1 347.415 2.016 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC001605470431 1351164854 /nfs/dbraw/zinc/16/48/54/1351164854.db2.gz TVWITQOAWAGMSH-UWVGGRQHSA-N -1 1 340.811 2.380 20 0 EEADMM CCN1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H](C)C1 ZINC001605479770 1351167748 /nfs/dbraw/zinc/16/77/48/1351167748.db2.gz HOMUFRSQTFXZKZ-CYBMUJFWSA-N -1 1 335.404 2.098 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)c2cccc3ccccc32)n1 ZINC001605575372 1351192521 /nfs/dbraw/zinc/19/25/21/1351192521.db2.gz NBSNRDSFEVAMFU-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)c2cccc3ccccc32)n1 ZINC001605575372 1351192525 /nfs/dbraw/zinc/19/25/25/1351192525.db2.gz NBSNRDSFEVAMFU-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605864624 1351240563 /nfs/dbraw/zinc/24/05/63/1351240563.db2.gz KGLFSEIBXVRQDK-ZJUUUORDSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605864624 1351240566 /nfs/dbraw/zinc/24/05/66/1351240566.db2.gz KGLFSEIBXVRQDK-ZJUUUORDSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(NCCN2c3ccccc3C[C@H]2C)nc1-c1nnn[n-]1 ZINC001605873054 1351243466 /nfs/dbraw/zinc/24/34/66/1351243466.db2.gz ALOJQIITHDQQTK-CYBMUJFWSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1ccc(NCCN2c3ccccc3C[C@H]2C)nc1-c1nn[n-]n1 ZINC001605873054 1351243470 /nfs/dbraw/zinc/24/34/70/1351243470.db2.gz ALOJQIITHDQQTK-CYBMUJFWSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1cccc(O[C@@H](C)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605921345 1351254223 /nfs/dbraw/zinc/25/42/23/1351254223.db2.gz KJBYCIXGGSQVAW-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(O[C@@H](C)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605921345 1351254224 /nfs/dbraw/zinc/25/42/24/1351254224.db2.gz KJBYCIXGGSQVAW-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2noc3c2CC(C)(C)CC3)c1C ZINC001606023667 1351264021 /nfs/dbraw/zinc/26/40/21/1351264021.db2.gz BPYFGNZWUMAROB-UHFFFAOYSA-N -1 1 327.392 2.231 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2noc3c2CC(C)(C)CC3)c1C ZINC001606023667 1351264024 /nfs/dbraw/zinc/26/40/24/1351264024.db2.gz BPYFGNZWUMAROB-UHFFFAOYSA-N -1 1 327.392 2.231 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001606128472 1351276136 /nfs/dbraw/zinc/27/61/36/1351276136.db2.gz ZRFUEVCKBNPMGA-UHFFFAOYSA-N -1 1 333.377 2.304 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001606128472 1351276137 /nfs/dbraw/zinc/27/61/37/1351276137.db2.gz ZRFUEVCKBNPMGA-UHFFFAOYSA-N -1 1 333.377 2.304 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2ccsc2)c1-c1nnn[n-]1 ZINC001606139775 1351277936 /nfs/dbraw/zinc/27/79/36/1351277936.db2.gz VCOJLKXMOUFNHU-ZETCQYMHSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2ccsc2)c1-c1nn[n-]n1 ZINC001606139775 1351277940 /nfs/dbraw/zinc/27/79/40/1351277940.db2.gz VCOJLKXMOUFNHU-ZETCQYMHSA-N -1 1 334.430 2.460 20 0 EEADMM O=C(Nc1cc(F)ccc1OC(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606902099 1351372268 /nfs/dbraw/zinc/37/22/68/1351372268.db2.gz DBEWYPHCRNWROB-UHFFFAOYSA-N -1 1 339.233 2.453 20 0 EEADMM O=C(Nc1cc(F)ccc1OC(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606902099 1351372271 /nfs/dbraw/zinc/37/22/71/1351372271.db2.gz DBEWYPHCRNWROB-UHFFFAOYSA-N -1 1 339.233 2.453 20 0 EEADMM O=C([O-])CC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001606960780 1351384960 /nfs/dbraw/zinc/38/49/60/1351384960.db2.gz MHANVDXEXJDCDR-NEPJUHHUSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606967854 1351386945 /nfs/dbraw/zinc/38/69/45/1351386945.db2.gz QWOWFGXXSMDQLR-GFCCVEGCSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606967854 1351386947 /nfs/dbraw/zinc/38/69/47/1351386947.db2.gz QWOWFGXXSMDQLR-GFCCVEGCSA-N -1 1 339.355 2.143 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(COC2CCCCC2)c2ccccc12 ZINC001607089840 1351413477 /nfs/dbraw/zinc/41/34/77/1351413477.db2.gz NODIUFYVOFZALQ-UHFFFAOYSA-N -1 1 325.372 2.488 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001607102265 1351418801 /nfs/dbraw/zinc/41/88/01/1351418801.db2.gz VCYSCUCAPJRANE-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001607102265 1351418804 /nfs/dbraw/zinc/41/88/04/1351418804.db2.gz VCYSCUCAPJRANE-HRDYMLBCSA-N -1 1 340.840 2.106 20 0 EEADMM COc1ccc(C2=NO[C@H](CNCc3ccc(C(=O)[O-])[nH]3)C2)cc1 ZINC001607239102 1351456939 /nfs/dbraw/zinc/45/69/39/1351456939.db2.gz UNRXFIPVHNHWNW-AWEZNQCLSA-N -1 1 329.356 2.004 20 0 EEADMM COc1ccc(OC)c(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001607278392 1351463659 /nfs/dbraw/zinc/46/36/59/1351463659.db2.gz ADEGYPQQWSOTGD-QGZVFWFLSA-N -1 1 347.367 2.334 20 0 EEADMM COc1cccc([C@@H](C(=O)[O-])N2CCOc3cc(N)ccc3C2)c1 ZINC001607311014 1351470438 /nfs/dbraw/zinc/47/04/38/1351470438.db2.gz IJFWKKCLVCNCKW-KRWDZBQOSA-N -1 1 328.368 2.298 20 0 EEADMM COc1cccc(C[C@H](NCC(=O)Nc2ccccc2C)C(=O)[O-])c1 ZINC001607318220 1351472362 /nfs/dbraw/zinc/47/23/62/1351472362.db2.gz ASWKLIIEPIZZJP-KRWDZBQOSA-N -1 1 342.395 2.228 20 0 EEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2coc(CN)c2)cc1 ZINC001607405049 1351489119 /nfs/dbraw/zinc/48/91/19/1351489119.db2.gz GVSAZNUMYOFHHW-CQSZACIVSA-N -1 1 334.397 2.406 20 0 EEADMM Cc1cc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)[nH]c1C(=O)[O-] ZINC001607639585 1351530489 /nfs/dbraw/zinc/53/04/89/1351530489.db2.gz NNEDDFUKVMLJFS-CYBMUJFWSA-N -1 1 335.448 2.396 20 0 EEADMM Cc1cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC001607641712 1351531045 /nfs/dbraw/zinc/53/10/45/1351531045.db2.gz OBUZSCVHLSARAD-ZBFHGGJFSA-N -1 1 328.368 2.202 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001607741022 1351549929 /nfs/dbraw/zinc/54/99/29/1351549929.db2.gz SGWRHUHXMUMPBI-XIWBLNCNSA-N -1 1 346.427 2.113 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC001607741492 1351549943 /nfs/dbraw/zinc/54/99/43/1351549943.db2.gz KFGLZTYNPPVQSH-HZPDHXFCSA-N -1 1 346.427 2.380 20 0 EEADMM Cc1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(Br)c1 ZINC001607779420 1351557004 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CCOC(=O)c1c(C2CC2)csc1NC(=O)CCCc1nn[n-]n1 ZINC001363462845 1373521271 /nfs/dbraw/zinc/52/12/71/1373521271.db2.gz KFYFZCNIKGUSRW-UHFFFAOYSA-N -1 1 349.416 2.277 20 0 EEADMM COc1nc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1C ZINC001364990226 1373643663 /nfs/dbraw/zinc/64/36/63/1373643663.db2.gz ZPOGNNGIQPHUEF-AAEUAGOBSA-N -1 1 345.365 2.430 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001365133872 1373674960 /nfs/dbraw/zinc/67/49/60/1373674960.db2.gz KMYRYCRQNYCTEI-VIFPVBQESA-N -1 1 327.793 2.003 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)cc1C ZINC001365620125 1373745021 /nfs/dbraw/zinc/74/50/21/1373745021.db2.gz GDZPLKMXIRCHRP-MVWJERBFSA-N -1 1 329.418 2.478 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(F)cc1F)NC(=O)c1ncccc1[O-] ZINC001375230378 1377517539 /nfs/dbraw/zinc/51/75/39/1377517539.db2.gz JLBYAYKCQJTSIS-LLVKDONJSA-N -1 1 349.337 2.004 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001377610906 1379381442 /nfs/dbraw/zinc/38/14/42/1379381442.db2.gz MAGDHMPZUZBHPO-RYUDHWBXSA-N -1 1 348.447 2.120 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-] ZINC001390386309 1388617714 /nfs/dbraw/zinc/61/77/14/1388617714.db2.gz WDAPPXYKNDMQQT-SJCJKPOMSA-N -1 1 339.411 2.330 20 0 EEADMM Cc1sccc1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001380713799 1381353607 /nfs/dbraw/zinc/35/36/07/1381353607.db2.gz OYLKYOYBZHZQRZ-SNVBAGLBSA-N -1 1 333.413 2.048 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001382863090 1382253966 /nfs/dbraw/zinc/25/39/66/1382253966.db2.gz JMWIBVNLZCERFB-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccoc1C1CC1)NC(=O)c1ncccc1[O-] ZINC001383811015 1382729595 /nfs/dbraw/zinc/72/95/95/1382729595.db2.gz LCPKXJZWIHGZLV-LLVKDONJSA-N -1 1 343.383 2.148 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(F)(F)F ZINC001384521705 1384394717 /nfs/dbraw/zinc/39/47/17/1384394717.db2.gz CETXQTAZOMZDTK-NXEZZACHSA-N -1 1 347.337 2.143 20 0 EEADMM CC(C)C1(C(=O)N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001390982742 1388939660 /nfs/dbraw/zinc/93/96/60/1388939660.db2.gz WMQCRGJMCZWKCD-HDJSIYSDSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)C(C)(C)C1CCCC1 ZINC001391247661 1389165752 /nfs/dbraw/zinc/16/57/52/1389165752.db2.gz PYDPTTJSXKFTAS-CYBMUJFWSA-N -1 1 347.459 2.486 20 0 EEADMM CCC(C)(CC)C(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001392851466 1390220228 /nfs/dbraw/zinc/22/02/28/1390220228.db2.gz MUQZNYLGMSJZCB-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM C[C@H]1C[C@H](C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)C[C@@H](C)C1 ZINC001393611171 1390493637 /nfs/dbraw/zinc/49/36/37/1390493637.db2.gz QHRULSCAEHKHFZ-WDNDVIMCSA-N -1 1 345.443 2.238 20 0 EEADMM CC1(C(=O)NC[C@@]2(C)CCN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001394400979 1390686458 /nfs/dbraw/zinc/68/64/58/1390686458.db2.gz QXXRZIYYCOTEJW-GOSISDBHSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1oc(C)c(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001395072176 1390781672 /nfs/dbraw/zinc/78/16/72/1390781672.db2.gz ZHMKFIZPKGIGJB-SNVBAGLBSA-N -1 1 345.399 2.196 20 0 EEADMM CC(C)CC1(C(=O)N(C)CCNC(=O)c2ncccc2[O-])CCC1 ZINC001397899880 1391541493 /nfs/dbraw/zinc/54/14/93/1391541493.db2.gz WDXDGTFFECDGFF-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(CC1CCC1)NC[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001400331519 1396207205 /nfs/dbraw/zinc/20/72/05/1396207205.db2.gz WMNMRKIFTSGPOD-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C)cc1C ZINC001422692873 1400130393 /nfs/dbraw/zinc/13/03/93/1400130393.db2.gz ZQCRBWDKIRWZEL-CQSZACIVSA-N -1 1 345.447 2.206 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-]C2C[C@H](C)C[C@@H](C)C2)cc1C ZINC001423715715 1400765706 /nfs/dbraw/zinc/76/57/06/1400765706.db2.gz JAEZFFJSMAQTSC-NXEZZACHSA-N -1 1 329.418 2.478 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])cc1F ZINC001425040907 1401405269 /nfs/dbraw/zinc/40/52/69/1401405269.db2.gz RYNYSIGOGWTNTP-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM COc1ccc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)c(F)c1 ZINC001426106483 1401884786 /nfs/dbraw/zinc/88/47/86/1401884786.db2.gz HHQWCJKEPSXZND-UHFFFAOYSA-N -1 1 338.364 2.374 20 0 EEADMM Cc1ccccc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001426218057 1401963582 /nfs/dbraw/zinc/96/35/82/1401963582.db2.gz IUCJRROPWMSOTQ-KBPBESRZSA-N -1 1 341.411 2.423 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CC(C1CC1)C1CC1 ZINC001426615729 1402119218 /nfs/dbraw/zinc/11/92/18/1402119218.db2.gz JKYNLCWVGYAYFU-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(N[C@H]1C[C@@H](CNC(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC001426909416 1402248638 /nfs/dbraw/zinc/24/86/38/1402248638.db2.gz XTCIDROIKWZBJO-BETUJISGSA-N -1 1 349.406 2.084 20 0 EEADMM CC(C)[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001427395570 1402392480 /nfs/dbraw/zinc/39/24/80/1402392480.db2.gz LZLYFKQXNZUCQM-TZMCWYRMSA-N -1 1 333.432 2.046 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001429071323 1402896121 /nfs/dbraw/zinc/89/61/21/1402896121.db2.gz CKSSNJKTUHLHJP-OKILXGFUSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577191642 1403625524 /nfs/dbraw/zinc/62/55/24/1403625524.db2.gz ZTZNEGMGYYHFQI-OAHLLOKOSA-N -1 1 349.464 2.082 20 0 EEADMM CCOC(=O)c1ncc(CSc2cccnc2-c2nnn[n-]2)s1 ZINC001578255078 1403728886 /nfs/dbraw/zinc/72/88/86/1403728886.db2.gz DBOJGMOIYKEGPD-UHFFFAOYSA-N -1 1 348.413 2.187 20 0 EEADMM CCOC(=O)c1ncc(CSc2cccnc2-c2nn[n-]n2)s1 ZINC001578255078 1403728892 /nfs/dbraw/zinc/72/88/92/1403728892.db2.gz DBOJGMOIYKEGPD-UHFFFAOYSA-N -1 1 348.413 2.187 20 0 EEADMM COC(=O)c1ccc(Nc2ccc(F)c(C)c2)c(-c2nnn[n-]2)n1 ZINC001579485077 1403785110 /nfs/dbraw/zinc/78/51/10/1403785110.db2.gz OIVPFGCMWSLYSQ-UHFFFAOYSA-N -1 1 328.307 2.239 20 0 EEADMM COC(=O)c1ccc(Nc2ccc(F)c(C)c2)c(-c2nn[n-]n2)n1 ZINC001579485077 1403785117 /nfs/dbraw/zinc/78/51/17/1403785117.db2.gz OIVPFGCMWSLYSQ-UHFFFAOYSA-N -1 1 328.307 2.239 20 0 EEADMM COc1ccc(C)cc1CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001579991590 1403805052 /nfs/dbraw/zinc/80/50/52/1403805052.db2.gz FOGORDJHKBNMLC-UHFFFAOYSA-N -1 1 343.412 2.104 20 0 EEADMM COc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001580051161 1403818072 /nfs/dbraw/zinc/81/80/72/1403818072.db2.gz FHGYVASGRNKSBH-CYBMUJFWSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001580051161 1403818082 /nfs/dbraw/zinc/81/80/82/1403818082.db2.gz FHGYVASGRNKSBH-CYBMUJFWSA-N -1 1 339.355 2.276 20 0 EEADMM CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001580204032 1403846614 /nfs/dbraw/zinc/84/66/14/1403846614.db2.gz GDIHAFKEPHXKQR-DTWKUNHWSA-N -1 1 338.462 2.012 20 0 EEADMM CCOC(=O)[C@H](CC)N(Cc1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001590753086 1403895842 /nfs/dbraw/zinc/89/58/42/1403895842.db2.gz QBOXUZXKJRJRAG-LBPRGKRZSA-N -1 1 335.433 2.234 20 0 EEADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591776509 1403945543 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EEADMM Cc1cccc2[nH]cc(CCNc3cc(-c4nn[n-]n4)nc(C)n3)c21 ZINC001592391076 1404027155 /nfs/dbraw/zinc/02/71/55/1404027155.db2.gz FVUXQNQVGFJLMS-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC001592480432 1404701017 /nfs/dbraw/zinc/70/10/17/1404701017.db2.gz MDGPFTGPPOSQJJ-UWVGGRQHSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001592480432 1404701022 /nfs/dbraw/zinc/70/10/22/1404701022.db2.gz MDGPFTGPPOSQJJ-UWVGGRQHSA-N -1 1 333.421 2.428 20 0 EEADMM CN[C@H](C)c1cn(Cc2ccc(C(=O)[O-])cc2Br)nn1 ZINC001606295801 1404779792 /nfs/dbraw/zinc/77/97/92/1404779792.db2.gz SKVMKVLWQNIJEH-MRVPVSSYSA-N -1 1 339.193 2.068 20 0 EEADMM COC(=O)/C(C)=C\CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001606320179 1404792253 /nfs/dbraw/zinc/79/22/53/1404792253.db2.gz FWQMWLBVNHGFTK-JYOAFUTRSA-N -1 1 338.429 2.215 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000165100494 1405714921 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20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)[C@H](F)C(C)C)n[n-]1 ZINC000846642086 790303058 /nfs/dbraw/zinc/30/30/58/790303058.db2.gz BCFACCHKCDAJSD-WDEREUQCSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)[C@H](F)C(C)C)[n-]1 ZINC000846642086 790303064 /nfs/dbraw/zinc/30/30/64/790303064.db2.gz BCFACCHKCDAJSD-WDEREUQCSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)[C@H](F)C(C)C)n1 ZINC000846642086 790303069 /nfs/dbraw/zinc/30/30/69/790303069.db2.gz BCFACCHKCDAJSD-WDEREUQCSA-N -1 1 328.388 2.179 20 0 EEADMM COc1ncc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1F ZINC001203407178 760727299 /nfs/dbraw/zinc/72/72/99/760727299.db2.gz DHHPGHUYUMMCNO-UHFFFAOYSA-N -1 1 331.756 2.266 20 0 EEADMM Cc1nccc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125857954 764987792 /nfs/dbraw/zinc/98/77/92/764987792.db2.gz REOMAIGPOGSRAB-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM CCCc1ccc(CN2CC(CNC(=O)c3[nH]nc(C)c3[O-])C2)cc1 ZINC001031617823 770283686 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Cc1onc(CC(=O)Nc2cc(Cl)ccc2C)c1-c1nnn[n-]1 ZINC000826289205 947839530 /nfs/dbraw/zinc/83/95/30/947839530.db2.gz PPCMTAIRIVIETN-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2cc(Cl)ccc2C)c1-c1nn[n-]n1 ZINC000826289205 947839536 /nfs/dbraw/zinc/83/95/36/947839536.db2.gz PPCMTAIRIVIETN-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826343058 947985567 /nfs/dbraw/zinc/98/55/67/947985567.db2.gz KSAWHWSTXKZJJP-SECBINFHSA-N -1 1 344.350 2.064 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826343058 947985575 /nfs/dbraw/zinc/98/55/75/947985575.db2.gz KSAWHWSTXKZJJP-SECBINFHSA-N -1 1 344.350 2.064 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826345678 948029369 /nfs/dbraw/zinc/02/93/69/948029369.db2.gz RAWIDDPNONWSIH-MRVPVSSYSA-N -1 1 346.778 2.236 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826345678 948029378 /nfs/dbraw/zinc/02/93/78/948029378.db2.gz 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CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)c1ccnn1C ZINC000682618422 486518532 /nfs/dbraw/zinc/51/85/32/486518532.db2.gz ZXZQMBYGHJELAM-NSHDSACASA-N -1 1 343.399 2.416 20 0 EEADMM CC[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)NCc1ccccc1 ZINC000187591454 529254687 /nfs/dbraw/zinc/25/46/87/529254687.db2.gz ZLVDLROUKQWUIO-CYBMUJFWSA-N -1 1 333.413 2.383 20 0 EEADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)C(=O)NCc1ccccc1 ZINC000187591454 529254688 /nfs/dbraw/zinc/25/46/88/529254688.db2.gz ZLVDLROUKQWUIO-CYBMUJFWSA-N -1 1 333.413 2.383 20 0 EEADMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451390582 535634372 /nfs/dbraw/zinc/63/43/72/535634372.db2.gz AEYFTSUGWIEGAV-HTQZYQBOSA-N -1 1 325.839 2.268 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCN(C)CC[C@H]2C)n1 ZINC000438897088 535919877 /nfs/dbraw/zinc/91/98/77/535919877.db2.gz CZPQGMVZQPZUML-CQSZACIVSA-N -1 1 342.443 2.307 20 0 EEADMM COc1ccc(C)cc1C=CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000491845761 536791327 /nfs/dbraw/zinc/79/13/27/536791327.db2.gz 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CCC1(CC)[C@H](NC(=O)c2ccc3n[n-]c(=S)n3c2)C[C@@H]1OC ZINC000774067102 577381204 /nfs/dbraw/zinc/38/12/04/577381204.db2.gz XJYQNEGAXGNVAU-NEPJUHHUSA-N -1 1 334.445 2.342 20 0 EEADMM Cc1ccc(OCCNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000774347522 577396287 /nfs/dbraw/zinc/39/62/87/577396287.db2.gz APDVSHFFMDTVIH-UHFFFAOYSA-N -1 1 328.397 2.135 20 0 EEADMM O=C([N-]CCCOC(=O)[C@@H]1CCOc2ccccc21)C(F)(F)F ZINC000774944199 577424207 /nfs/dbraw/zinc/42/42/07/577424207.db2.gz OUKGORJXJQLTHN-LLVKDONJSA-N -1 1 331.290 2.165 20 0 EEADMM CC(C)c1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc(=O)[nH]1 ZINC000775048483 577427821 /nfs/dbraw/zinc/42/78/21/577427821.db2.gz BWBZCFJHUAQESM-UHFFFAOYSA-N -1 1 342.351 2.024 20 0 EEADMM CCCn1ncc(C(=O)OCC)c1[N-]S(=O)(=O)CCC1CC1 ZINC000775137551 577430943 /nfs/dbraw/zinc/43/09/43/577430943.db2.gz NDSODKGNWYDULW-UHFFFAOYSA-N -1 1 329.422 2.012 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccn(C(F)F)n1 ZINC000775936632 577449285 /nfs/dbraw/zinc/44/92/85/577449285.db2.gz 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/nfs/dbraw/zinc/63/19/94/577631994.db2.gz MXFPYLPEMOBSSV-UHFFFAOYSA-N -1 1 341.310 2.278 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1ccc[nH]1 ZINC000762192013 577696901 /nfs/dbraw/zinc/69/69/01/577696901.db2.gz AUGOQLCVBAKZFQ-GFCCVEGCSA-N -1 1 337.383 2.301 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000754035781 577799076 /nfs/dbraw/zinc/79/90/76/577799076.db2.gz JATYFEOUWJKYKJ-LLVKDONJSA-N -1 1 342.189 2.226 20 0 EEADMM CCC(CC)[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccccc1 ZINC000742751123 577876236 /nfs/dbraw/zinc/87/62/36/577876236.db2.gz RQPANSFUGNLROV-KRWDZBQOSA-N -1 1 343.427 2.220 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 ZINC000747551488 577946202 /nfs/dbraw/zinc/94/62/02/577946202.db2.gz BJTYVHROVCDTML-SWLSCSKDSA-N -1 1 343.427 2.336 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cnc1Cl ZINC000748611709 577964891 /nfs/dbraw/zinc/96/48/91/577964891.db2.gz ARBCJVFGBWKCNE-UHFFFAOYSA-N -1 1 326.809 2.305 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)NC[C@H](c2ccco2)N2CCCC2)o1 ZINC000739438029 578053560 /nfs/dbraw/zinc/05/35/60/578053560.db2.gz RSVAZYLBJFJOPS-CYBMUJFWSA-N -1 1 347.371 2.207 20 0 EEADMM O=C([O-])CNC(=O)CCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000739804862 578068534 /nfs/dbraw/zinc/06/85/34/578068534.db2.gz APQFMSIURXKDEC-ZDUSSCGKSA-N -1 1 342.848 2.021 20 0 EEADMM O=C([O-])c1sccc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000740288150 578089125 /nfs/dbraw/zinc/08/91/25/578089125.db2.gz AVMXPGIEXRPNKC-UHFFFAOYSA-N -1 1 325.367 2.277 20 0 EEADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCC[C@@H]1c1ncon1 ZINC000735298561 578143166 /nfs/dbraw/zinc/14/31/66/578143166.db2.gz WLOSQCNYMFADQE-LLVKDONJSA-N -1 1 329.389 2.180 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736238261 578189797 /nfs/dbraw/zinc/18/97/97/578189797.db2.gz UOHNOBQOZGKTFP-OSAQELSMSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736238261 578189798 /nfs/dbraw/zinc/18/97/98/578189798.db2.gz UOHNOBQOZGKTFP-OSAQELSMSA-N -1 1 328.420 2.452 20 0 EEADMM CCC(CC)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736342928 578197516 /nfs/dbraw/zinc/19/75/16/578197516.db2.gz UHXUHHKVEPNWCF-UHFFFAOYSA-N -1 1 346.435 2.069 20 0 EEADMM CC(C)Oc1cccc(CNC(=O)CNC2(C(=O)[O-])CCCCC2)c1 ZINC000736495424 578207755 /nfs/dbraw/zinc/20/77/55/578207755.db2.gz ZEJFDZAEGMNEBI-UHFFFAOYSA-N -1 1 348.443 2.467 20 0 EEADMM C[C@H]1CN(Cc2ccoc2C(=O)[O-])CCN1C[C@H](O)c1ccccc1 ZINC000736815274 578225247 /nfs/dbraw/zinc/22/52/47/578225247.db2.gz QNYFEFSKZLQYKX-YOEHRIQHSA-N -1 1 344.411 2.218 20 0 EEADMM CC[C@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N(CC)CC ZINC000736859512 578227248 /nfs/dbraw/zinc/22/72/48/578227248.db2.gz BDBSVRSOQGXRQD-CQSZACIVSA-N -1 1 333.388 2.196 20 0 EEADMM CC[C@](C)(NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000736864275 578227428 /nfs/dbraw/zinc/22/74/28/578227428.db2.gz SRIQGHSCMSQGTG-SFHVURJKSA-N -1 1 344.415 2.271 20 0 EEADMM COc1ccccc1C(C)(C)CNc1nccnc1-c1nnn[n-]1 ZINC000737137735 578240172 /nfs/dbraw/zinc/24/01/72/578240172.db2.gz IUYIUAGMDXSHCK-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccccc1C(C)(C)CNc1nccnc1-c1nn[n-]n1 ZINC000737137735 578240173 /nfs/dbraw/zinc/24/01/73/578240173.db2.gz IUYIUAGMDXSHCK-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737335485 578251118 /nfs/dbraw/zinc/25/11/18/578251118.db2.gz UXGNNYYUHBXIJA-CYBMUJFWSA-N -1 1 336.399 2.273 20 0 EEADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737335485 578251119 /nfs/dbraw/zinc/25/11/19/578251119.db2.gz UXGNNYYUHBXIJA-CYBMUJFWSA-N -1 1 336.399 2.273 20 0 EEADMM CN(C)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1cccs1 ZINC000737359783 578252554 /nfs/dbraw/zinc/25/25/54/578252554.db2.gz WCXBFDAIKBOPTN-LLVKDONJSA-N -1 1 337.401 2.141 20 0 EEADMM CN1CCC[C@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737518239 578261919 /nfs/dbraw/zinc/26/19/19/578261919.db2.gz CPEOESXDKRVSRO-WMZOPIPTSA-N -1 1 340.423 2.294 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC=CCC1 ZINC000737549293 578263547 /nfs/dbraw/zinc/26/35/47/578263547.db2.gz UMUKWFWJORUPQI-LBPRGKRZSA-N -1 1 338.371 2.397 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC=CCC1 ZINC000737549293 578263548 /nfs/dbraw/zinc/26/35/48/578263548.db2.gz UMUKWFWJORUPQI-LBPRGKRZSA-N -1 1 338.371 2.397 20 0 EEADMM COC(=O)C[C@H]1CCCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737594004 578266034 /nfs/dbraw/zinc/26/60/34/578266034.db2.gz XPFGGXFUGVFVIN-CQSZACIVSA-N -1 1 331.372 2.110 20 0 EEADMM Cn1ncc2c1CCC[C@H]2Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000737629745 578267541 /nfs/dbraw/zinc/26/75/41/578267541.db2.gz ZQKZAKSCVKQYCJ-SSDOTTSWSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1ncc2c1CCC[C@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000737629745 578267542 /nfs/dbraw/zinc/26/75/42/578267542.db2.gz ZQKZAKSCVKQYCJ-SSDOTTSWSA-N -1 1 336.812 2.200 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C[C@@H](c3ccccc3F)CC2=O)C1 ZINC000821516226 597760025 /nfs/dbraw/zinc/76/00/25/597760025.db2.gz QFIVYCLKVHPJHN-KGLIPLIRSA-N -1 1 334.391 2.286 20 0 EEADMM Cc1oc(-c2ccccc2)nc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000822374234 607349665 /nfs/dbraw/zinc/34/96/65/607349665.db2.gz NDGOMWQHGHLNQJ-UHFFFAOYSA-N -1 1 348.366 2.349 20 0 EEADMM Cc1cc([C@](C)(O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)o1 ZINC000822190778 599576738 /nfs/dbraw/zinc/57/67/38/599576738.db2.gz AHFFIFFYVUUBMN-OAHLLOKOSA-N -1 1 348.794 2.445 20 0 EEADMM Cc1cc([C@](C)(O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)o1 ZINC000822190778 599576739 /nfs/dbraw/zinc/57/67/39/599576739.db2.gz AHFFIFFYVUUBMN-OAHLLOKOSA-N -1 1 348.794 2.445 20 0 EEADMM CC[C@H](C)[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000324041877 599778846 /nfs/dbraw/zinc/77/88/46/599778846.db2.gz RMDYZXUGGHJHKT-RCBQFDQVSA-N -1 1 329.400 2.352 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000327465463 600330554 /nfs/dbraw/zinc/33/05/54/600330554.db2.gz WCZWNAQHFAILJD-RHSMWYFYSA-N -1 1 345.443 2.196 20 0 EEADMM Cc1ccc(OCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC000832951944 601095498 /nfs/dbraw/zinc/09/54/98/601095498.db2.gz YOVAOOPHTOVMDM-INIZCTEOSA-N -1 1 348.443 2.080 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000827369141 601123206 /nfs/dbraw/zinc/12/32/06/601123206.db2.gz PCUNQXQDSIFWQL-SNVBAGLBSA-N -1 1 343.786 2.492 20 0 EEADMM C/C(=C\CN1CCN(CCOc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000825741046 601155028 /nfs/dbraw/zinc/15/50/28/601155028.db2.gz HMSSQCBDIOCMFQ-MKMNVTDBSA-N -1 1 338.835 2.367 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000833181932 601187027 /nfs/dbraw/zinc/18/70/27/601187027.db2.gz UTRHVVTYFJGXLW-NTSWFWBYSA-N -1 1 334.553 2.467 20 0 EEADMM O=C([O-])c1c2c(sc1NC(=O)CSc1c[nH]nn1)CCCC2 ZINC000833115651 601349318 /nfs/dbraw/zinc/34/93/18/601349318.db2.gz CCMJEQUJBXUWEY-UHFFFAOYSA-N -1 1 338.414 2.174 20 0 EEADMM CCCc1c(C(=O)Nc2ccc3[nH]nnc3c2)[nH]c(C)c1C(=O)[O-] ZINC000829562759 601409130 /nfs/dbraw/zinc/40/91/30/601409130.db2.gz VHLWSXPGNKVNGC-UHFFFAOYSA-N -1 1 327.344 2.497 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)[C@@H](c2ccccc2)CO1 ZINC000824992718 607507944 /nfs/dbraw/zinc/50/79/44/607507944.db2.gz NQMLLIDMZALJCY-SUMWQHHRSA-N -1 1 336.399 2.224 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1C(=O)[O-] ZINC000828438619 601530819 /nfs/dbraw/zinc/53/08/19/601530819.db2.gz FIKXYURWDQFHOI-WPRPVWTQSA-N -1 1 337.376 2.026 20 0 EEADMM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421493 601533611 /nfs/dbraw/zinc/53/36/11/601533611.db2.gz GEBFVZZQNBEWKX-VWYCJHECSA-N -1 1 342.342 2.268 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc1 ZINC000832419704 601843965 /nfs/dbraw/zinc/84/39/65/601843965.db2.gz ZQHGLWMATYXCKF-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM COC(=O)/C(C)=C/CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831053669 601900031 /nfs/dbraw/zinc/90/00/31/601900031.db2.gz SGBNKGUZBUOBSM-FLUIGGAXSA-N -1 1 331.290 2.281 20 0 EEADMM CC(C)(C)c1noc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824141520 607533498 /nfs/dbraw/zinc/53/34/98/607533498.db2.gz JLFIHWXPRUISRE-UHFFFAOYSA-N -1 1 331.405 2.376 20 0 EEADMM CC(C)(C)c1noc(CSCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824141520 607533499 /nfs/dbraw/zinc/53/34/99/607533499.db2.gz JLFIHWXPRUISRE-UHFFFAOYSA-N -1 1 331.405 2.376 20 0 EEADMM Cc1ccc(N2CCC[C@@H](N3CCSC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000832936677 601920325 /nfs/dbraw/zinc/92/03/25/601920325.db2.gz OFFPXBMGNDFDKR-HZPDHXFCSA-N -1 1 348.468 2.383 20 0 EEADMM C[C@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027440 601935647 /nfs/dbraw/zinc/93/56/47/601935647.db2.gz WHNANVUZUZSHRW-QLJPJBMISA-N -1 1 333.413 2.420 20 0 EEADMM NC(=O)NC1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000833085489 602045947 /nfs/dbraw/zinc/04/59/47/602045947.db2.gz MPCWQFZWFKBKBM-LBPRGKRZSA-N -1 1 346.214 2.252 20 0 EEADMM O=C([O-])[C@H](OC(=O)CCc1nc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000833105045 602089695 /nfs/dbraw/zinc/08/96/95/602089695.db2.gz XDRBRTUWXONBEG-GFCCVEGCSA-N -1 1 344.154 2.413 20 0 EEADMM CCC(CC)[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)s1)OC ZINC000825096954 607588610 /nfs/dbraw/zinc/58/86/10/607588610.db2.gz RLROUIRQDJEOBW-NSHDSACASA-N -1 1 337.449 2.499 20 0 EEADMM CCC(CC)[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)s1)OC ZINC000825096954 607588612 /nfs/dbraw/zinc/58/86/12/607588612.db2.gz RLROUIRQDJEOBW-NSHDSACASA-N -1 1 337.449 2.499 20 0 EEADMM CCC[C@@H](CC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825241968 607600683 /nfs/dbraw/zinc/60/06/83/607600683.db2.gz FVKUWKKIVDNUKE-SECBINFHSA-N -1 1 343.840 2.377 20 0 EEADMM CCC[C@@H](CC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825241968 607600684 /nfs/dbraw/zinc/60/06/84/607600684.db2.gz FVKUWKKIVDNUKE-SECBINFHSA-N -1 1 343.840 2.377 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]c2ccc(F)cc12 ZINC000826467520 607614359 /nfs/dbraw/zinc/61/43/59/607614359.db2.gz ZXPWWMKCWZOSLL-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]c2ccc(F)cc12 ZINC000826467520 607614360 /nfs/dbraw/zinc/61/43/60/607614360.db2.gz ZXPWWMKCWZOSLL-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM C/C(=C/COC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000825764467 604603031 /nfs/dbraw/zinc/60/30/31/604603031.db2.gz FSDQTDRXHHSBBG-XFFZJAGNSA-N -1 1 347.396 2.446 20 0 EEADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)NC(=O)[O-] ZINC000833745946 604965842 /nfs/dbraw/zinc/96/58/42/604965842.db2.gz YQKIKULEHIAHNX-LBPRGKRZSA-N -1 1 337.445 2.138 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(N2CCCCC2)nc1)c1cccnc1 ZINC000833164522 604993616 /nfs/dbraw/zinc/99/36/16/604993616.db2.gz AJJSPVIJBQHTMS-QGZVFWFLSA-N -1 1 326.400 2.382 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000833768048 605024869 /nfs/dbraw/zinc/02/48/69/605024869.db2.gz XEIXWQUIWNGICO-KSZLIROESA-N -1 1 349.390 2.479 20 0 EEADMM CCc1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)s1 ZINC000833670726 605046381 /nfs/dbraw/zinc/04/63/81/605046381.db2.gz SLKDDBJGIOOEIA-LBPRGKRZSA-N -1 1 339.461 2.001 20 0 EEADMM CC(C)COc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833488769 605110414 /nfs/dbraw/zinc/11/04/14/605110414.db2.gz OTHBTVSGQJJBBJ-OAHLLOKOSA-N -1 1 348.443 2.342 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000833618535 605111697 /nfs/dbraw/zinc/11/16/97/605111697.db2.gz CDMJZJXAYTVKLE-HIFRSBDPSA-N -1 1 348.468 2.273 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(-c2ccc(F)cc2)no1 ZINC000833628699 605197944 /nfs/dbraw/zinc/19/79/44/605197944.db2.gz NYBZRPOPGYVHFW-ZDUSSCGKSA-N -1 1 347.390 2.462 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000833742275 605250670 /nfs/dbraw/zinc/25/06/70/605250670.db2.gz ILIQVABUUPPMQO-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1F ZINC000833512928 605278073 /nfs/dbraw/zinc/27/80/73/605278073.db2.gz CARRYTIKJOLUDG-UONOGXRCSA-N -1 1 336.407 2.327 20 0 EEADMM CC(=O)N1CC[C@H](CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833392106 605382464 /nfs/dbraw/zinc/38/24/64/605382464.db2.gz ZADCLJFOZGHAFV-ABAIWWIYSA-N -1 1 342.798 2.405 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833477371 605698500 /nfs/dbraw/zinc/69/85/00/605698500.db2.gz HJKZQAHHXWXLQZ-NVXWUHKLSA-N -1 1 348.443 2.003 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000822535663 606419459 /nfs/dbraw/zinc/41/94/59/606419459.db2.gz ZXUVKIIZVYTQFD-PHIMTYICSA-N -1 1 340.387 2.287 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000822535663 606419460 /nfs/dbraw/zinc/41/94/60/606419460.db2.gz ZXUVKIIZVYTQFD-PHIMTYICSA-N -1 1 340.387 2.287 20 0 EEADMM CCc1nc([C@H]2CCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000821505971 606461785 /nfs/dbraw/zinc/46/17/85/606461785.db2.gz VGNZFHLXMWVVIM-SECBINFHSA-N -1 1 346.782 2.202 20 0 EEADMM CCc1nc([C@H]2CCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000821505971 606461786 /nfs/dbraw/zinc/46/17/86/606461786.db2.gz VGNZFHLXMWVVIM-SECBINFHSA-N -1 1 346.782 2.202 20 0 EEADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823706996 606468153 /nfs/dbraw/zinc/46/81/53/606468153.db2.gz UEDGAOYOXVGDSP-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823706996 606468154 /nfs/dbraw/zinc/46/81/54/606468154.db2.gz UEDGAOYOXVGDSP-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM COCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821690628 606491911 /nfs/dbraw/zinc/49/19/11/606491911.db2.gz SHERYKGCKBBYBB-UHFFFAOYSA-N -1 1 343.412 2.217 20 0 EEADMM COCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821690628 606491913 /nfs/dbraw/zinc/49/19/13/606491913.db2.gz SHERYKGCKBBYBB-UHFFFAOYSA-N -1 1 343.412 2.217 20 0 EEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821693611 606510064 /nfs/dbraw/zinc/51/00/64/606510064.db2.gz GNLJFQVHSBNBMC-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821693611 606510066 /nfs/dbraw/zinc/51/00/66/606510066.db2.gz GNLJFQVHSBNBMC-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821665133 606513565 /nfs/dbraw/zinc/51/35/65/606513565.db2.gz XAXUFVYSVZYFCW-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821665133 606513567 /nfs/dbraw/zinc/51/35/67/606513567.db2.gz XAXUFVYSVZYFCW-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2S1 ZINC000820744245 606691618 /nfs/dbraw/zinc/69/16/18/606691618.db2.gz XJCBRZZOUOIFNV-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2S1 ZINC000820744245 606691619 /nfs/dbraw/zinc/69/16/19/606691619.db2.gz XJCBRZZOUOIFNV-JTQLQIEISA-N -1 1 338.396 2.403 20 0 EEADMM CSCc1cc(F)ccc1CNc1nccnc1-c1nnn[n-]1 ZINC000821971166 606725193 /nfs/dbraw/zinc/72/51/93/606725193.db2.gz YCAXWYKCXYEJFQ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM CSCc1cc(F)ccc1CNc1nccnc1-c1nn[n-]n1 ZINC000821971166 606725194 /nfs/dbraw/zinc/72/51/94/606725194.db2.gz YCAXWYKCXYEJFQ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823162643 606803673 /nfs/dbraw/zinc/80/36/73/606803673.db2.gz YRATVHARJVFJDK-VIFPVBQESA-N -1 1 347.787 2.445 20 0 EEADMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823162643 606803675 /nfs/dbraw/zinc/80/36/75/606803675.db2.gz YRATVHARJVFJDK-VIFPVBQESA-N -1 1 347.787 2.445 20 0 EEADMM O[C@@]12CCCC[C@@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000823697038 607034137 /nfs/dbraw/zinc/03/41/37/607034137.db2.gz IGFIYVZKEBKZOR-AMIZOPFISA-N -1 1 340.840 2.108 20 0 EEADMM O[C@@]12CCCC[C@@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000823697038 607034138 /nfs/dbraw/zinc/03/41/38/607034138.db2.gz IGFIYVZKEBKZOR-AMIZOPFISA-N -1 1 340.840 2.108 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1OC ZINC000820957736 607036598 /nfs/dbraw/zinc/03/65/98/607036598.db2.gz PRMFSJVDAWNVKP-VXGBXAGGSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1OC ZINC000820957736 607036599 /nfs/dbraw/zinc/03/65/99/607036599.db2.gz PRMFSJVDAWNVKP-VXGBXAGGSA-N -1 1 335.433 2.252 20 0 EEADMM CCCc1cc(Oc2cccc(F)c2-c2nnn[n-]2)n2ncnc2n1 ZINC000825348229 607866452 /nfs/dbraw/zinc/86/64/52/607866452.db2.gz FAFNSLXRFQRKKC-UHFFFAOYSA-N -1 1 340.322 2.188 20 0 EEADMM CCCc1cc(Oc2cccc(F)c2-c2nn[n-]n2)n2ncnc2n1 ZINC000825348229 607866453 /nfs/dbraw/zinc/86/64/53/607866453.db2.gz FAFNSLXRFQRKKC-UHFFFAOYSA-N -1 1 340.322 2.188 20 0 EEADMM c1ccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826521599 607903437 /nfs/dbraw/zinc/90/34/37/607903437.db2.gz RYJRSVYVCCTLKO-HNNXBMFYSA-N -1 1 336.399 2.447 20 0 EEADMM c1ccc(CN(C[C@@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826521599 607903438 /nfs/dbraw/zinc/90/34/38/607903438.db2.gz RYJRSVYVCCTLKO-HNNXBMFYSA-N -1 1 336.399 2.447 20 0 EEADMM Cn1c(CNc2snc(Cl)c2-c2nnn[n-]2)nc2ccccc21 ZINC000826355180 608171681 /nfs/dbraw/zinc/17/16/81/608171681.db2.gz NLYDJAKUXHBDNM-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM Cn1c(CNc2snc(Cl)c2-c2nn[n-]n2)nc2ccccc21 ZINC000826355180 608171683 /nfs/dbraw/zinc/17/16/83/608171683.db2.gz NLYDJAKUXHBDNM-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM Clc1nsc(Sc2n[nH]c(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826354719 608174148 /nfs/dbraw/zinc/17/41/48/608174148.db2.gz RTNHSHUESRYUDT-UHFFFAOYSA-N -1 1 326.798 2.123 20 0 EEADMM Clc1nsc(Sc2n[nH]c(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826354719 608174150 /nfs/dbraw/zinc/17/41/50/608174150.db2.gz RTNHSHUESRYUDT-UHFFFAOYSA-N -1 1 326.798 2.123 20 0 EEADMM CN(C)c1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000825886896 608183885 /nfs/dbraw/zinc/18/38/85/608183885.db2.gz ANWFOQSLOKWCQP-UHFFFAOYSA-N -1 1 346.854 2.045 20 0 EEADMM CN(C)c1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000825886896 608183886 /nfs/dbraw/zinc/18/38/86/608183886.db2.gz ANWFOQSLOKWCQP-UHFFFAOYSA-N -1 1 346.854 2.045 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2ncc[nH]2)c1-c1nnn[n-]1 ZINC000826353826 608189461 /nfs/dbraw/zinc/18/94/61/608189461.db2.gz FMBZVHBTYRMWTC-SSDOTTSWSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2ncc[nH]2)c1-c1nn[n-]n1 ZINC000826353826 608189462 /nfs/dbraw/zinc/18/94/62/608189462.db2.gz FMBZVHBTYRMWTC-SSDOTTSWSA-N -1 1 336.812 2.431 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825146641 608231766 /nfs/dbraw/zinc/23/17/66/608231766.db2.gz DZZAXMJIXQEJNQ-WVZVXSGGSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825146641 608231767 /nfs/dbraw/zinc/23/17/67/608231767.db2.gz DZZAXMJIXQEJNQ-WVZVXSGGSA-N -1 1 342.734 2.090 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826511465 608235399 /nfs/dbraw/zinc/23/53/99/608235399.db2.gz RJDOJWVKZPOALZ-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826511465 608235400 /nfs/dbraw/zinc/23/54/00/608235400.db2.gz RJDOJWVKZPOALZ-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM Cc1nn(-c2ccccc2)c(CN(C)CC(F)F)c1-c1nn[n-]n1 ZINC000826332165 608312938 /nfs/dbraw/zinc/31/29/38/608312938.db2.gz LOJMRPWDYNYFDQ-UHFFFAOYSA-N -1 1 333.346 2.058 20 0 EEADMM CC(C)COc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824270365 608402691 /nfs/dbraw/zinc/40/26/91/608402691.db2.gz DDLIBODJDHZBBQ-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824270365 608402693 /nfs/dbraw/zinc/40/26/93/608402693.db2.gz DDLIBODJDHZBBQ-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC1CCC(OC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC000824917247 608416981 /nfs/dbraw/zinc/41/69/81/608416981.db2.gz NEYMHBMVVCRJBG-UHFFFAOYSA-N -1 1 343.435 2.221 20 0 EEADMM CC1CCC(OC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC000824917247 608416982 /nfs/dbraw/zinc/41/69/82/608416982.db2.gz NEYMHBMVVCRJBG-UHFFFAOYSA-N -1 1 343.435 2.221 20 0 EEADMM Fc1cccc(CCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826376389 608433098 /nfs/dbraw/zinc/43/30/98/608433098.db2.gz BOXVBBVDVBYLGT-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(CCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826376389 608433099 /nfs/dbraw/zinc/43/30/99/608433099.db2.gz BOXVBBVDVBYLGT-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccsc2)O1 ZINC000824984892 608735002 /nfs/dbraw/zinc/73/50/02/608735002.db2.gz OXDKTZVWGQBOLR-HZMBPMFUSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccsc2)O1 ZINC000824984892 608735003 /nfs/dbraw/zinc/73/50/03/608735003.db2.gz OXDKTZVWGQBOLR-HZMBPMFUSA-N -1 1 331.401 2.483 20 0 EEADMM Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826267062 609280799 /nfs/dbraw/zinc/28/07/99/609280799.db2.gz NUGGJENJBJJHQK-UHFFFAOYSA-N -1 1 340.322 2.100 20 0 EEADMM FC(F)O[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826369732 609316677 /nfs/dbraw/zinc/31/66/77/609316677.db2.gz OOOPYGBXGZVMJK-VIFPVBQESA-N -1 1 347.329 2.018 20 0 EEADMM FC(F)O[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826369732 609316679 /nfs/dbraw/zinc/31/66/79/609316679.db2.gz OOOPYGBXGZVMJK-VIFPVBQESA-N -1 1 347.329 2.018 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826369792 609317172 /nfs/dbraw/zinc/31/71/72/609317172.db2.gz QOOIFMRNQTUHLJ-SSDOTTSWSA-N -1 1 330.726 2.123 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826369792 609317173 /nfs/dbraw/zinc/31/71/73/609317173.db2.gz QOOIFMRNQTUHLJ-SSDOTTSWSA-N -1 1 330.726 2.123 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826315441 609484456 /nfs/dbraw/zinc/48/44/56/609484456.db2.gz JWFTVVVEQFAOEP-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826315441 609484457 /nfs/dbraw/zinc/48/44/57/609484457.db2.gz JWFTVVVEQFAOEP-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3ccc(C)c(F)c3)C2)c1[O-] ZINC000969500708 675075498 /nfs/dbraw/zinc/07/54/98/675075498.db2.gz VEBIGALCYVSGFD-LLVKDONJSA-N -1 1 346.406 2.122 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccccc2F)C1 ZINC000969545171 675098144 /nfs/dbraw/zinc/09/81/44/675098144.db2.gz CAZNOGRBJGRIQY-LBPRGKRZSA-N -1 1 329.375 2.177 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCc2ccsc2)cc1 ZINC000022155862 676046223 /nfs/dbraw/zinc/04/62/23/676046223.db2.gz AKSLDQXJOCXJDX-UHFFFAOYSA-N -1 1 347.392 2.189 20 0 EEADMM COc1cc[n-]c(=NNC(=O)N[C@@H](C)c2cc(C)ccc2OC)n1 ZINC000045120727 676169150 /nfs/dbraw/zinc/16/91/50/676169150.db2.gz BGWWHKTZKDZUGJ-NSHDSACASA-N -1 1 331.376 2.190 20 0 EEADMM COc1ccc(CN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000078793832 675426780 /nfs/dbraw/zinc/42/67/80/675426780.db2.gz FZRPJFBNNIVPAO-UHFFFAOYSA-N -1 1 329.400 2.483 20 0 EEADMM Cc1cccc([C@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1C ZINC000080446612 675463273 /nfs/dbraw/zinc/46/32/73/675463273.db2.gz OIJPTEAROSWZRC-KGLIPLIRSA-N -1 1 331.441 2.314 20 0 EEADMM Cc1cc(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)cs1 ZINC000947437969 676425260 /nfs/dbraw/zinc/42/52/60/676425260.db2.gz LOEUBMZCQTZNCY-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)[C@@H](C)c3ccccc3F)C2)c1[O-] ZINC000971350552 676496482 /nfs/dbraw/zinc/49/64/82/676496482.db2.gz HOMAWYQXLJALDW-STQMWFEESA-N -1 1 346.406 2.470 20 0 EEADMM C[N@H+](Cc1ccnc(Cl)c1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971392856 676520471 /nfs/dbraw/zinc/52/04/71/676520471.db2.gz AHKONEIUQGRBQX-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM CC(C)Oc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccn1 ZINC000891622047 676732824 /nfs/dbraw/zinc/73/28/24/676732824.db2.gz MMAFCCVHGSPTHO-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627692 676735629 /nfs/dbraw/zinc/73/56/29/676735629.db2.gz ZSTIZQHSPBKIOS-MEBBXXQBSA-N -1 1 341.367 2.228 20 0 EEADMM COCc1nc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000892413510 679735607 /nfs/dbraw/zinc/73/56/07/679735607.db2.gz RECYEYYREIJFJT-LLVKDONJSA-N -1 1 338.408 2.140 20 0 EEADMM O=S(=O)([N-][C@H](CCCO)c1ccccc1)c1ccc(F)nc1F ZINC000866860176 677919877 /nfs/dbraw/zinc/91/98/77/677919877.db2.gz WARYQXIFHXOOKR-GFCCVEGCSA-N -1 1 342.367 2.152 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c(F)cccc2F)cc1 ZINC000006641823 678530687 /nfs/dbraw/zinc/53/06/87/678530687.db2.gz HMQNSCCOIOQHFB-UHFFFAOYSA-N -1 1 349.289 2.087 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000176719478 678539668 /nfs/dbraw/zinc/53/96/68/678539668.db2.gz VNLJFRYVRPEFPZ-UHFFFAOYSA-N -1 1 346.412 2.027 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000176720816 678540751 /nfs/dbraw/zinc/54/07/51/678540751.db2.gz IIXNTSVAUYTSJZ-UHFFFAOYSA-N -1 1 342.808 2.061 20 0 EEADMM CCOc1cccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000052204326 678907720 /nfs/dbraw/zinc/90/77/20/678907720.db2.gz JUFCDPIWYJMQFV-UHFFFAOYSA-N -1 1 327.336 2.199 20 0 EEADMM Cc1nsc(N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])CC2)n1 ZINC001067596879 679153118 /nfs/dbraw/zinc/15/31/18/679153118.db2.gz MHMJCYMKYJEGFO-GFCCVEGCSA-N -1 1 347.444 2.078 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2CC(C)(C)C2)CCN1C(=O)c1ncccc1[O-] ZINC000984835828 685315043 /nfs/dbraw/zinc/31/50/43/685315043.db2.gz UXWJCNYODCPYJM-UONOGXRCSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(C[C@H]1CC=CCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983082889 681762269 /nfs/dbraw/zinc/76/22/69/681762269.db2.gz BGOXFSWRSFWSCO-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)n1c(CNC(=O)CCOCC(F)(F)F)n[n-]c1=S ZINC000066640298 681779620 /nfs/dbraw/zinc/77/96/20/681779620.db2.gz GJQFMAMTXOVEPC-UHFFFAOYSA-N -1 1 326.344 2.107 20 0 EEADMM CCn1c(CNC(=O)Cc2cc(Cl)ccc2OC)n[n-]c1=S ZINC000066636871 681781652 /nfs/dbraw/zinc/78/16/52/681781652.db2.gz XOPHCYRIYKFIBW-UHFFFAOYSA-N -1 1 340.836 2.481 20 0 EEADMM Cc1ccn2cc(C(=O)NCc3n[n-]c(=S)n3C(C)C)nc2c1 ZINC000066649960 681802734 /nfs/dbraw/zinc/80/27/34/681802734.db2.gz LMUBOQMOTBDARV-UHFFFAOYSA-N -1 1 330.417 2.408 20 0 EEADMM O=S(=O)([N-][C@@H]1CCc2ccccc21)c1nc[nH]c1Br ZINC000867513231 681965820 /nfs/dbraw/zinc/96/58/20/681965820.db2.gz AMNRYXYGRNUXAZ-SNVBAGLBSA-N -1 1 342.218 2.138 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000261773852 682144809 /nfs/dbraw/zinc/14/48/09/682144809.db2.gz XEMTVPCTDZCMGK-ZENOOKHLSA-N -1 1 325.368 2.402 20 0 EEADMM COCCOc1cc(C)ccc1CNc1cc(=O)[n-]c(COC)n1 ZINC000892881248 683163088 /nfs/dbraw/zinc/16/30/88/683163088.db2.gz SWOJCIBYLXPGRP-UHFFFAOYSA-N -1 1 333.388 2.274 20 0 EEADMM Cc1coc(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])c1 ZINC000937455112 683636688 /nfs/dbraw/zinc/63/66/88/683636688.db2.gz NVXOMDYREWHFRB-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001029280864 683804366 /nfs/dbraw/zinc/80/43/66/683804366.db2.gz ITDZHJRJYALKLT-IYBDPMFKSA-N -1 1 341.386 2.415 20 0 EEADMM CCc1cc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)n[nH]1 ZINC000032271559 684042435 /nfs/dbraw/zinc/04/24/35/684042435.db2.gz JNAGBSNUPKDLOF-UHFFFAOYSA-N -1 1 343.412 2.006 20 0 EEADMM C[C@@H](C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984114691 684114854 /nfs/dbraw/zinc/11/48/54/684114854.db2.gz HRGMELJOHYSFIY-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccc(Cl)cc1 ZINC000974055199 684265583 /nfs/dbraw/zinc/26/55/83/684265583.db2.gz CATPFDRLDYRZDU-BETUJISGSA-N -1 1 345.786 2.131 20 0 EEADMM CC(C)(C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000978752652 693858978 /nfs/dbraw/zinc/85/89/78/693858978.db2.gz KNUPRUCDNBOLQZ-XBXGTLAGSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978740328 693863702 /nfs/dbraw/zinc/86/37/02/693863702.db2.gz AZKMCBRUFUHFOE-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1nc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)c(C)o1 ZINC000974492657 684984717 /nfs/dbraw/zinc/98/47/17/684984717.db2.gz SQGWNKGYPVZMKY-HNNXBMFYSA-N -1 1 344.415 2.032 20 0 EEADMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866928612 686817863 /nfs/dbraw/zinc/81/78/63/686817863.db2.gz NQHANWYXPOSGNL-NWDGAFQWSA-N -1 1 342.552 2.393 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866928973 686853204 /nfs/dbraw/zinc/85/32/04/686853204.db2.gz RZGUSEPWYCZDDW-VXGBXAGGSA-N -1 1 340.536 2.147 20 0 EEADMM CC1(C(=O)N2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CCCC1 ZINC000975871688 686964766 /nfs/dbraw/zinc/96/47/66/686964766.db2.gz KHVLPMLTQGDSNY-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CCC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000975895116 686976071 /nfs/dbraw/zinc/97/60/71/686976071.db2.gz LJOPIWWJXAEVEX-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000909637028 687269848 /nfs/dbraw/zinc/26/98/48/687269848.db2.gz GAMVAICNPNIQPA-MRXNPFEDSA-N -1 1 332.425 2.165 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC000976260630 687498323 /nfs/dbraw/zinc/49/83/23/687498323.db2.gz KDJCFRZYIPMXSB-RBSFLKMASA-N -1 1 343.427 2.301 20 0 EEADMM 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333.338 2.070 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014255652 1226419048 /nfs/dbraw/zinc/41/90/48/1226419048.db2.gz FIAIQVPLHGOJHC-KUHUBIRLSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC001014558337 1226771651 /nfs/dbraw/zinc/77/16/51/1226771651.db2.gz XNKGCYPRIUKLQA-KKUMJFAQSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@]1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCOc2ccccc21 ZINC000827902294 1248965945 /nfs/dbraw/zinc/96/59/45/1248965945.db2.gz UYCIMBQLEMYXLP-VQIMIIECSA-N -1 1 349.394 2.146 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1ncc(Cl)cn1 ZINC001039734485 1230773878 /nfs/dbraw/zinc/77/38/78/1230773878.db2.gz ZXNIZGRRLYSUJX-CMPLNLGQSA-N -1 1 347.806 2.018 20 0 EEADMM Cc1cnc(C)nc1N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001045438856 1233746319 /nfs/dbraw/zinc/74/63/19/1233746319.db2.gz OQRMQIHPNMOACT-ZIAGYGMSSA-N -1 1 341.415 2.347 20 0 EEADMM CC(C)c1nccc(N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 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EEADMM COCCn1c(=O)cc([O-])nc1SC[C@@H]1CCC2(CCCC2)O1 ZINC000901652458 1236108508 /nfs/dbraw/zinc/10/85/08/1236108508.db2.gz IDBRTRLCLPKPMH-LBPRGKRZSA-N -1 1 340.445 2.179 20 0 EEADMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc2ccn(C(F)F)c2c1 ZINC000901680718 1236154523 /nfs/dbraw/zinc/15/45/23/1236154523.db2.gz DOTGBYLHRPWNPC-UHFFFAOYSA-N -1 1 337.373 2.421 20 0 EEADMM C[C@H]1CN(Cc2cn(CC(=O)[O-])nn2)CCc2ccc(Cl)cc21 ZINC000902262792 1237307011 /nfs/dbraw/zinc/30/70/11/1237307011.db2.gz DXBWXZFXAMQXKW-NSHDSACASA-N -1 1 334.807 2.178 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001413462550 1238089721 /nfs/dbraw/zinc/08/97/21/1238089721.db2.gz NKPAZHTUGBBTKP-OCCSQVGLSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@@H](OC(=O)c1coc(S(=O)(=O)[N-]C)c1)c1ccc(F)cn1 ZINC000803048946 1239158836 /nfs/dbraw/zinc/15/88/36/1239158836.db2.gz NSIUIEWTYWNHNY-GFCCVEGCSA-N -1 1 342.348 2.030 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001056593846 1239446110 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CCO[C@H]1C[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC001609238495 1351905205 /nfs/dbraw/zinc/90/52/05/1351905205.db2.gz MSLLHPGXTRZQDR-UONOGXRCSA-N -1 1 345.403 2.402 20 0 EEADMM CN(CCC1CC1)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609275290 1351918092 /nfs/dbraw/zinc/91/80/92/1351918092.db2.gz SZDHKWZRGWMREX-UHFFFAOYSA-N -1 1 340.309 2.153 20 0 EEADMM COC(=O)[C@H](CNc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001609292927 1351923472 /nfs/dbraw/zinc/92/34/72/1351923472.db2.gz COLBXYAVRKHETA-LLVKDONJSA-N -1 1 344.400 2.000 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609331782 1351935392 /nfs/dbraw/zinc/93/53/92/1351935392.db2.gz DNDSRIZYZJKIQL-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609331782 1351935393 /nfs/dbraw/zinc/93/53/93/1351935393.db2.gz DNDSRIZYZJKIQL-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM COc1cccc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)c1 ZINC001609360907 1351946904 /nfs/dbraw/zinc/94/69/04/1351946904.db2.gz TWFSOUGVHWAKIL-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1cccc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)c1 ZINC001609360907 1351946905 /nfs/dbraw/zinc/94/69/05/1351946905.db2.gz TWFSOUGVHWAKIL-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM CSc1cccc(F)c1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609373391 1351950893 /nfs/dbraw/zinc/95/08/93/1351950893.db2.gz XNVHFZHZXCNEHP-UHFFFAOYSA-N -1 1 331.380 2.438 20 0 EEADMM CSc1cccc(F)c1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609373391 1351950896 /nfs/dbraw/zinc/95/08/96/1351950896.db2.gz XNVHFZHZXCNEHP-UHFFFAOYSA-N -1 1 331.380 2.438 20 0 EEADMM Cc1ccc(OC2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001609427117 1351971931 /nfs/dbraw/zinc/97/19/31/1351971931.db2.gz NCKATGJBXIIDMX-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc(OC2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001609427117 1351971932 /nfs/dbraw/zinc/97/19/32/1351971932.db2.gz NCKATGJBXIIDMX-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc(C(=O)Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)cc1C ZINC001609417834 1351968179 /nfs/dbraw/zinc/96/81/79/1351968179.db2.gz MCFLCGLCIGRKSO-UHFFFAOYSA-N -1 1 349.394 2.017 20 0 EEADMM Cc1nsc(N(C)C[C@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001609463739 1351986808 /nfs/dbraw/zinc/98/68/08/1351986808.db2.gz FRZLBAONTLGNPL-QMMMGPOBSA-N -1 1 338.437 2.046 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC001609466655 1351988526 /nfs/dbraw/zinc/98/85/26/1351988526.db2.gz FFJMPBNNIIXKCX-LBPRGKRZSA-N -1 1 345.384 2.043 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC001609466655 1351988530 /nfs/dbraw/zinc/98/85/30/1351988530.db2.gz FFJMPBNNIIXKCX-LBPRGKRZSA-N -1 1 345.384 2.043 20 0 EEADMM Clc1nc(N2CCC[C@H](n3ccnc3)C2)sc1-c1nn[n-]n1 ZINC001609474869 1351992013 /nfs/dbraw/zinc/99/20/13/1351992013.db2.gz XFTMFQVYCBFSQT-QMMMGPOBSA-N -1 1 336.812 2.015 20 0 EEADMM Cn1ccnc1CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609481124 1351993458 /nfs/dbraw/zinc/99/34/58/1351993458.db2.gz YFLUYWUGWBBRFY-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM Cn1ccnc1CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609481124 1351993460 /nfs/dbraw/zinc/99/34/60/1351993460.db2.gz YFLUYWUGWBBRFY-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM FCC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCOCC1 ZINC001609487262 1351995345 /nfs/dbraw/zinc/99/53/45/1351995345.db2.gz ZCEVDCPSOXXYKN-UHFFFAOYSA-N -1 1 332.792 2.155 20 0 EEADMM FCC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCOCC1 ZINC001609487262 1351995348 /nfs/dbraw/zinc/99/53/48/1351995348.db2.gz ZCEVDCPSOXXYKN-UHFFFAOYSA-N -1 1 332.792 2.155 20 0 EEADMM CN(C(=O)CCCOc1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC001332243104 1335777705 /nfs/dbraw/zinc/77/77/05/1335777705.db2.gz ZCNZTCFPSXFHQP-UHFFFAOYSA-N -1 1 330.175 2.329 20 0 EEADMM O=C(Nc1ccc(F)cc1-n1cccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609565131 1352018708 /nfs/dbraw/zinc/01/87/08/1352018708.db2.gz INKQUKRHGPKRGS-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(Nc1ccc(F)cc1-n1cccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609565131 1352018713 /nfs/dbraw/zinc/01/87/13/1352018713.db2.gz INKQUKRHGPKRGS-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(OCCCc1ccc(F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574776 1352021066 /nfs/dbraw/zinc/02/10/66/1352021066.db2.gz UKDFYMSJXBPIGT-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCCCc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574776 1352021069 /nfs/dbraw/zinc/02/10/69/1352021069.db2.gz UKDFYMSJXBPIGT-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCCC1(F)F ZINC001609578195 1352024835 /nfs/dbraw/zinc/02/48/35/1352024835.db2.gz DJVWVRZYJRCOTQ-SSDOTTSWSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCCC1(F)F ZINC001609578195 1352024840 /nfs/dbraw/zinc/02/48/40/1352024840.db2.gz DJVWVRZYJRCOTQ-SSDOTTSWSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)o1 ZINC001609578260 1352024241 /nfs/dbraw/zinc/02/42/41/1352024241.db2.gz FQNCLYBSERLCEE-UHFFFAOYSA-N -1 1 337.295 2.472 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1CCC1CCCC1 ZINC001609603789 1352032504 /nfs/dbraw/zinc/03/25/04/1352032504.db2.gz DGGMJDFFDCPLHO-UHFFFAOYSA-N -1 1 338.209 2.371 20 0 EEADMM O=C(c1cnncc1[O-])N1CCC(c2ccc3cccnc3n2)CC1 ZINC001335977367 1336458797 /nfs/dbraw/zinc/45/87/97/1336458797.db2.gz GZGHVABKHGCKEU-UHFFFAOYSA-N -1 1 335.367 2.145 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)NCc1ccco1)c1cccc(F)c1 ZINC001609730271 1352071137 /nfs/dbraw/zinc/07/11/37/1352071137.db2.gz NMZALZJIQSMZSR-QGZVFWFLSA-N -1 1 334.347 2.015 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001609940720 1352124635 /nfs/dbraw/zinc/12/46/35/1352124635.db2.gz QUACIUJGMIJBHA-HOCLYGCPSA-N -1 1 340.464 2.122 20 0 EEADMM CC(C)Cn1ncc(C(=O)OCc2nn[n-]n2)c1-c1ccccc1 ZINC001343952405 1337358983 /nfs/dbraw/zinc/35/89/83/1337358983.db2.gz DYUNITIKWQTQIY-UHFFFAOYSA-N -1 1 326.360 2.076 20 0 EEADMM CCC[C@@H]1CN([C@@H](C(=O)[O-])c2ccsc2)CCN1CCOC ZINC001609959509 1352130303 /nfs/dbraw/zinc/13/03/03/1352130303.db2.gz FSAVCKPAKPWBCD-HUUCEWRRSA-N -1 1 326.462 2.307 20 0 EEADMM O=C(CCCOc1ccccc1Cl)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347974921 1337529083 /nfs/dbraw/zinc/52/90/83/1337529083.db2.gz PSIPQJNGLNEYTO-NSHDSACASA-N -1 1 335.795 2.028 20 0 EEADMM CCc1cccc(CC)c1NC(=O)[C@H](C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610066807 1352154377 /nfs/dbraw/zinc/15/43/77/1352154377.db2.gz ADDJRNDLWLGRQR-DANNLKNASA-N -1 1 330.428 2.401 20 0 EEADMM COC(=O)[C@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC001610150412 1352173422 /nfs/dbraw/zinc/17/34/22/1352173422.db2.gz ILVDBSJLZACXKS-SECBINFHSA-N -1 1 344.205 2.388 20 0 EEADMM COc1cc(OC)c(OC)cc1CN[C@@H](CC(F)(F)F)C(=O)[O-] ZINC001610305362 1352202984 /nfs/dbraw/zinc/20/29/84/1352202984.db2.gz MTYCQERWLDTIRR-VIFPVBQESA-N -1 1 337.294 2.208 20 0 EEADMM COc1cccc2c(C(=O)Nc3cccc(C(=O)[O-])c3N)n[nH]c21 ZINC001610360815 1352210943 /nfs/dbraw/zinc/21/09/43/1352210943.db2.gz TXCMVCJRTVVEGU-UHFFFAOYSA-N -1 1 326.312 2.104 20 0 EEADMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)N2 ZINC001200814918 1338648299 /nfs/dbraw/zinc/64/82/99/1338648299.db2.gz AOZXBYIFRWSIPC-OAHLLOKOSA-N -1 1 334.372 2.414 20 0 EEADMM CS(=O)(=O)C1(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001610371650 1352212714 /nfs/dbraw/zinc/21/27/14/1352212714.db2.gz BEFDSYOJURKFMC-UHFFFAOYSA-N -1 1 349.408 2.312 20 0 EEADMM Cc1cc(C)cc([C@@H](NCc2cc(=O)n3ccsc3n2)C(=O)[O-])c1 ZINC001610456690 1352225511 /nfs/dbraw/zinc/22/55/11/1352225511.db2.gz YPEVWOVJKRXCRT-OAHLLOKOSA-N -1 1 343.408 2.288 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)n[nH]2)c(C)c1 ZINC001610479188 1352229491 /nfs/dbraw/zinc/22/94/91/1352229491.db2.gz GIMWTTXCPHGLCR-CYBMUJFWSA-N -1 1 343.383 2.009 20 0 EEADMM O=C([O-])[C@@H]1CSCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001610748335 1352268136 /nfs/dbraw/zinc/26/81/36/1352268136.db2.gz DZWBOGVIMDNDTG-GXFFZTMASA-N -1 1 349.374 2.488 20 0 EEADMM O=C([O-])c1cccc(OCC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC001610849059 1352285314 /nfs/dbraw/zinc/28/53/14/1352285314.db2.gz FDCFZCHTYLCTCK-MAZHCROVSA-N -1 1 333.384 2.481 20 0 EEADMM O=C([O-])c1ccc2c(c1)C(=O)N(CN1CCCC3(CCOCC3)C1)C2 ZINC001610841394 1352283755 /nfs/dbraw/zinc/28/37/55/1352283755.db2.gz PJJIJXBXNIIYEX-UHFFFAOYSA-N -1 1 344.411 2.191 20 0 EEADMM Cc1ncncc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001611182885 1352296612 /nfs/dbraw/zinc/29/66/12/1352296612.db2.gz SRMZDGKGNATVJI-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1ncncc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001611182885 1352296613 /nfs/dbraw/zinc/29/66/13/1352296613.db2.gz SRMZDGKGNATVJI-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC001429703691 1339988359 /nfs/dbraw/zinc/98/83/59/1339988359.db2.gz KCVFIJMIFFXZKM-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1csc(C)c1C)NC(=O)c1ncccc1[O-] ZINC001430597803 1340265409 /nfs/dbraw/zinc/26/54/09/1340265409.db2.gz JGIFUXYZQSDBIR-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1(C)CCCC1 ZINC001431798738 1340734298 /nfs/dbraw/zinc/73/42/98/1340734298.db2.gz ZCDZICIJGLLHMV-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])Cn1ccnc1 ZINC001433718383 1341667033 /nfs/dbraw/zinc/66/70/33/1341667033.db2.gz MCYZVBHTMBKABO-SNVBAGLBSA-N -1 1 338.205 2.417 20 0 EEADMM CC/C(C)=C/C(=O)N(CC)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001576558717 1344032072 /nfs/dbraw/zinc/03/20/72/1344032072.db2.gz XPTKPTPZFKHRAO-MDZDMXLPSA-N -1 1 349.464 2.248 20 0 EEADMM CCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)OC ZINC000091142402 1357163027 /nfs/dbraw/zinc/16/30/27/1357163027.db2.gz BKCMLPYYNWDDAE-SNVBAGLBSA-N -1 1 330.178 2.226 20 0 EEADMM CCCC(=O)NC[C@H](CC)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577213906 1344107774 /nfs/dbraw/zinc/10/77/74/1344107774.db2.gz RQUBJMBGHFZTRF-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N[C@@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577407972 1344142973 /nfs/dbraw/zinc/14/29/73/1344142973.db2.gz GTKDVIYWDOTWND-IUCAKERBSA-N -1 1 337.453 2.127 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001579450803 1344383694 /nfs/dbraw/zinc/38/36/94/1344383694.db2.gz AZJTZOZUNYKKAW-WCBMZHEXSA-N -1 1 336.783 2.059 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001579450803 1344383699 /nfs/dbraw/zinc/38/36/99/1344383699.db2.gz AZJTZOZUNYKKAW-WCBMZHEXSA-N -1 1 336.783 2.059 20 0 EEADMM COc1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c(C)c1 ZINC001580014600 1344448112 /nfs/dbraw/zinc/44/81/12/1344448112.db2.gz QWBQQEQMKWNRLM-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM CSc1cc(C(=O)Nc2c(-c3nnn[n-]3)c(C)nn2C)ccc1F ZINC001580230419 1344495031 /nfs/dbraw/zinc/49/50/31/1344495031.db2.gz FDPMXDQMAWPGND-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM CSc1cc(C(=O)Nc2c(-c3nn[n-]n3)c(C)nn2C)ccc1F ZINC001580230419 1344495034 /nfs/dbraw/zinc/49/50/34/1344495034.db2.gz FDPMXDQMAWPGND-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM O=C(Cc1cccc(Cl)c1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582146945 1344706516 /nfs/dbraw/zinc/70/65/16/1344706516.db2.gz RDOVUQUZXQBDNO-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1cccc(Cl)c1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582146945 1344706518 /nfs/dbraw/zinc/70/65/18/1344706518.db2.gz RDOVUQUZXQBDNO-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(NCC(F)(F)c1cccc(F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582357831 1344743482 /nfs/dbraw/zinc/74/34/82/1344743482.db2.gz KOFROPRACWAHFM-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCC(F)(F)c1cccc(F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582357831 1344743485 /nfs/dbraw/zinc/74/34/85/1344743485.db2.gz KOFROPRACWAHFM-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccsc1C(F)F ZINC001582559387 1344763536 /nfs/dbraw/zinc/76/35/36/1344763536.db2.gz URUJRHNQPLSPBL-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccsc1C(F)F ZINC001582559387 1344763541 /nfs/dbraw/zinc/76/35/41/1344763541.db2.gz URUJRHNQPLSPBL-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=C(Nc1ccnn1CCc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001582650509 1344777545 /nfs/dbraw/zinc/77/75/45/1344777545.db2.gz YYVARPAATGKWIW-UHFFFAOYSA-N -1 1 349.354 2.151 20 0 EEADMM O=C(Nc1ccnn1CCc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001582650509 1344777550 /nfs/dbraw/zinc/77/75/50/1344777550.db2.gz YYVARPAATGKWIW-UHFFFAOYSA-N -1 1 349.354 2.151 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001586100322 1348839983 /nfs/dbraw/zinc/83/99/83/1348839983.db2.gz SHNAHVLPFZQBET-HNNXBMFYSA-N -1 1 337.383 2.263 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001588769969 1348932728 /nfs/dbraw/zinc/93/27/28/1348932728.db2.gz BTSKZKLSSPHJDU-YVMONPNESA-N -1 1 329.751 2.285 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001588769969 1348932731 /nfs/dbraw/zinc/93/27/31/1348932731.db2.gz BTSKZKLSSPHJDU-YVMONPNESA-N -1 1 329.751 2.285 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001588770322 1348933525 /nfs/dbraw/zinc/93/35/25/1348933525.db2.gz JTKJCGWQRUVERQ-ACCUITESSA-N -1 1 334.383 2.437 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001588770322 1348933529 /nfs/dbraw/zinc/93/35/29/1348933529.db2.gz JTKJCGWQRUVERQ-ACCUITESSA-N -1 1 334.383 2.437 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1)[C@@H]1C[C@@H]1C ZINC001588802199 1348938021 /nfs/dbraw/zinc/93/80/21/1348938021.db2.gz NQYZRUYCGUVMRA-APPDUMDISA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1)[C@@H]1C[C@@H]1C ZINC001588802199 1348938023 /nfs/dbraw/zinc/93/80/23/1348938023.db2.gz NQYZRUYCGUVMRA-APPDUMDISA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C ZINC001588912473 1348947128 /nfs/dbraw/zinc/94/71/28/1348947128.db2.gz UYRHNQNNPFYTFJ-UHFFFAOYSA-N -1 1 341.396 2.369 20 0 EEADMM CC(C)(O)C(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001589326601 1348983871 /nfs/dbraw/zinc/98/38/71/1348983871.db2.gz JSVSXVPPTQRWBB-UHFFFAOYSA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)(O)C(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001589326601 1348983875 /nfs/dbraw/zinc/98/38/75/1348983875.db2.gz JSVSXVPPTQRWBB-UHFFFAOYSA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001589461416 1348992234 /nfs/dbraw/zinc/99/22/34/1348992234.db2.gz XDWBKCBQZQJRIK-CQSZACIVSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589585511 1349006601 /nfs/dbraw/zinc/00/66/01/1349006601.db2.gz COMNAXNAUOMBFJ-NSHDSACASA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)c1ccc(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589769636 1349035823 /nfs/dbraw/zinc/03/58/23/1349035823.db2.gz OTMSUMKTWJZOFJ-UHFFFAOYSA-N -1 1 336.399 2.358 20 0 EEADMM CC(C)c1ccc(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589769636 1349035827 /nfs/dbraw/zinc/03/58/27/1349035827.db2.gz OTMSUMKTWJZOFJ-UHFFFAOYSA-N -1 1 336.399 2.358 20 0 EEADMM CC(C)c1nnc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001589778784 1349038858 /nfs/dbraw/zinc/03/88/58/1349038858.db2.gz UPCIUDMQTLACPJ-UHFFFAOYSA-N -1 1 333.352 2.233 20 0 EEADMM CC(C)c1nnc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001589778784 1349038863 /nfs/dbraw/zinc/03/88/63/1349038863.db2.gz UPCIUDMQTLACPJ-UHFFFAOYSA-N -1 1 333.352 2.233 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NCc1nc(-c3nnn[n-]3)cs1)CCC2 ZINC001589782444 1349039919 /nfs/dbraw/zinc/03/99/19/1349039919.db2.gz UQQPGSOKXVUSNN-LLVKDONJSA-N -1 1 344.448 2.268 20 0 EEADMM CC(C)n1cc2c(n1)[C@H](NCc1nc(-c3nn[n-]n3)cs1)CCC2 ZINC001589782444 1349039922 /nfs/dbraw/zinc/03/99/22/1349039922.db2.gz UQQPGSOKXVUSNN-LLVKDONJSA-N -1 1 344.448 2.268 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)Cc1ccc(Cl)cc1 ZINC001589794508 1349044393 /nfs/dbraw/zinc/04/43/93/1349044393.db2.gz QPSCMSKFEMQWQK-SECBINFHSA-N -1 1 345.794 2.451 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC001589794508 1349044398 /nfs/dbraw/zinc/04/43/98/1349044398.db2.gz QPSCMSKFEMQWQK-SECBINFHSA-N -1 1 345.794 2.451 20 0 EEADMM CC1(C)CCC[C@@](O)(COC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001590096120 1349153125 /nfs/dbraw/zinc/15/31/25/1349153125.db2.gz DVKJESOVFYAILE-HNNXBMFYSA-N -1 1 336.417 2.416 20 0 EEADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1C(F)(F)F ZINC001590108740 1349158527 /nfs/dbraw/zinc/15/85/27/1349158527.db2.gz HLUAVAGNEWCAJI-SECBINFHSA-N -1 1 327.314 2.072 20 0 EEADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1C(F)(F)F ZINC001590108740 1349158530 /nfs/dbraw/zinc/15/85/30/1349158530.db2.gz HLUAVAGNEWCAJI-SECBINFHSA-N -1 1 327.314 2.072 20 0 EEADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590121995 1349164449 /nfs/dbraw/zinc/16/44/49/1349164449.db2.gz KKSLVONLMSEJDS-KRWDZBQOSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590121995 1349164451 /nfs/dbraw/zinc/16/44/51/1349164451.db2.gz KKSLVONLMSEJDS-KRWDZBQOSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001590242778 1349221851 /nfs/dbraw/zinc/22/18/51/1349221851.db2.gz HQJDWAJIJZXXID-NWDGAFQWSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001590242778 1349221857 /nfs/dbraw/zinc/22/18/57/1349221857.db2.gz HQJDWAJIJZXXID-NWDGAFQWSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590245057 1349223424 /nfs/dbraw/zinc/22/34/24/1349223424.db2.gz SEQABGIETLFZKN-NXEZZACHSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590245057 1349223435 /nfs/dbraw/zinc/22/34/35/1349223435.db2.gz SEQABGIETLFZKN-NXEZZACHSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274436 1349242435 /nfs/dbraw/zinc/24/24/35/1349242435.db2.gz KOJXKYXGNKKHOJ-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274436 1349242439 /nfs/dbraw/zinc/24/24/39/1349242439.db2.gz KOJXKYXGNKKHOJ-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Oc1ccccc1C ZINC001590443060 1349326679 /nfs/dbraw/zinc/32/66/79/1349326679.db2.gz QLDXQIKEOSYILM-LBPRGKRZSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Oc1ccccc1C ZINC001590443060 1349326687 /nfs/dbraw/zinc/32/66/87/1349326687.db2.gz QLDXQIKEOSYILM-LBPRGKRZSA-N -1 1 341.371 2.356 20 0 EEADMM CCC[C@@H](CC)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590554272 1349369145 /nfs/dbraw/zinc/36/91/45/1349369145.db2.gz SORPRVNOHBZXBT-LLVKDONJSA-N -1 1 349.391 2.385 20 0 EEADMM CCc1nc(NCCSCCC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590922643 1349412079 /nfs/dbraw/zinc/41/20/79/1349412079.db2.gz SLTBKDSXSICINZ-UHFFFAOYSA-N -1 1 347.370 2.317 20 0 EEADMM CCc1nc(NCCSCCC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590922643 1349412081 /nfs/dbraw/zinc/41/20/81/1349412081.db2.gz SLTBKDSXSICINZ-UHFFFAOYSA-N -1 1 347.370 2.317 20 0 EEADMM CCc1nc(NC[C@H](OC)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590918033 1349413146 /nfs/dbraw/zinc/41/31/46/1349413146.db2.gz MDNOKUYYRWPEMD-ZDUSSCGKSA-N -1 1 325.376 2.019 20 0 EEADMM CCc1nc(NC[C@H](OC)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590918033 1349413149 /nfs/dbraw/zinc/41/31/49/1349413149.db2.gz MDNOKUYYRWPEMD-ZDUSSCGKSA-N -1 1 325.376 2.019 20 0 EEADMM CO[C@@H](C)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001591323852 1349461445 /nfs/dbraw/zinc/46/14/45/1349461445.db2.gz FPQIVHWIWMKHRQ-NSHDSACASA-N -1 1 338.371 2.150 20 0 EEADMM CO[C@@H](C)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001591323852 1349461451 /nfs/dbraw/zinc/46/14/51/1349461451.db2.gz FPQIVHWIWMKHRQ-NSHDSACASA-N -1 1 338.371 2.150 20 0 EEADMM COc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cn1 ZINC001591614325 1349515292 /nfs/dbraw/zinc/51/52/92/1349515292.db2.gz VSGSKUJCXCMFET-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001591621996 1349517955 /nfs/dbraw/zinc/51/79/55/1349517955.db2.gz PSIDTAURCFORPY-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001591621996 1349517960 /nfs/dbraw/zinc/51/79/60/1349517960.db2.gz PSIDTAURCFORPY-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccccc1CN(OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591653747 1349527116 /nfs/dbraw/zinc/52/71/16/1349527116.db2.gz YSNAYDDEQKJJPY-UHFFFAOYSA-N -1 1 345.384 2.141 20 0 EEADMM COc1ccccc1CN(OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591653747 1349527122 /nfs/dbraw/zinc/52/71/22/1349527122.db2.gz YSNAYDDEQKJJPY-UHFFFAOYSA-N -1 1 345.384 2.141 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cn1 ZINC001591733026 1349536558 /nfs/dbraw/zinc/53/65/58/1349536558.db2.gz WJWMGBOFURPNMT-MRVPVSSYSA-N -1 1 330.735 2.228 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cn1 ZINC001591733026 1349536564 /nfs/dbraw/zinc/53/65/64/1349536564.db2.gz WJWMGBOFURPNMT-MRVPVSSYSA-N -1 1 330.735 2.228 20 0 EEADMM Cc1cc[nH]c1C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001592073096 1349589415 /nfs/dbraw/zinc/58/94/15/1349589415.db2.gz LSVMGIOOOWPWMY-UHFFFAOYSA-N -1 1 348.370 2.250 20 0 EEADMM Cc1cc[nH]c1C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001592073096 1349589419 /nfs/dbraw/zinc/58/94/19/1349589419.db2.gz LSVMGIOOOWPWMY-UHFFFAOYSA-N -1 1 348.370 2.250 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001592226956 1349612470 /nfs/dbraw/zinc/61/24/70/1349612470.db2.gz OLCUJZYSUKRJAU-CQSZACIVSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001592226956 1349612471 /nfs/dbraw/zinc/61/24/71/1349612471.db2.gz OLCUJZYSUKRJAU-CQSZACIVSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccncc1[C@@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592277557 1349616094 /nfs/dbraw/zinc/61/60/94/1349616094.db2.gz QHMSILLMGSEPPM-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1ccncc1[C@@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592277557 1349616101 /nfs/dbraw/zinc/61/61/01/1349616101.db2.gz QHMSILLMGSEPPM-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1nsc(N(C)Cc2ccc([S@](C)=O)cc2)c1-c1nn[n-]n1 ZINC001592469298 1349634689 /nfs/dbraw/zinc/63/46/89/1349634689.db2.gz OOOBFNRRRDJCJF-QHCPKHFHSA-N -1 1 348.457 2.005 20 0 EEADMM Cc1nsc(N(C)Cc2ccccc2N(C)C)c1-c1nn[n-]n1 ZINC001592469220 1349634692 /nfs/dbraw/zinc/63/46/92/1349634692.db2.gz MEYXAKRWYUOPHW-UHFFFAOYSA-N -1 1 329.433 2.334 20 0 EEADMM Cc1nsc(N[C@@H]2CCN(c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001592486403 1349636074 /nfs/dbraw/zinc/63/60/74/1349636074.db2.gz JYOJRXNSCZDEGD-LLVKDONJSA-N -1 1 345.407 2.462 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc2c1OCCCO2 ZINC001592502745 1349640441 /nfs/dbraw/zinc/64/04/41/1349640441.db2.gz IMURACFBIFHVNB-UHFFFAOYSA-N -1 1 341.327 2.182 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc2c1OCCCO2 ZINC001592502745 1349640443 /nfs/dbraw/zinc/64/04/43/1349640443.db2.gz IMURACFBIFHVNB-UHFFFAOYSA-N -1 1 341.327 2.182 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nc(C2CCCC2)no1 ZINC001592503350 1349640771 /nfs/dbraw/zinc/64/07/71/1349640771.db2.gz HCPOGHVACZGETO-UHFFFAOYSA-N -1 1 344.331 2.166 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nc(C2CCCC2)no1 ZINC001592503350 1349640774 /nfs/dbraw/zinc/64/07/74/1349640774.db2.gz HCPOGHVACZGETO-UHFFFAOYSA-N -1 1 344.331 2.166 20 0 EEADMM Clc1ccc(N2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1nnn[n-]1 ZINC001592531584 1349649078 /nfs/dbraw/zinc/64/90/78/1349649078.db2.gz MEFOHVHIIFLWRU-IYBDPMFKSA-N -1 1 346.822 2.312 20 0 EEADMM Clc1ccc(N2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1nn[n-]n1 ZINC001592531584 1349649080 /nfs/dbraw/zinc/64/90/80/1349649080.db2.gz MEFOHVHIIFLWRU-IYBDPMFKSA-N -1 1 346.822 2.312 20 0 EEADMM Clc1nc(N2CCCC[C@@H]2c2ncc[nH]2)sc1-c1nnn[n-]1 ZINC001592539795 1349652479 /nfs/dbraw/zinc/65/24/79/1349652479.db2.gz BNXSPBQYLSFERV-SSDOTTSWSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nc(N2CCCC[C@@H]2c2ncc[nH]2)sc1-c1nn[n-]n1 ZINC001592539795 1349652482 /nfs/dbraw/zinc/65/24/82/1349652482.db2.gz BNXSPBQYLSFERV-SSDOTTSWSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1sc(NCc2cnn3c2CCCC3)nc1-c1nn[n-]n1 ZINC001592543080 1349654916 /nfs/dbraw/zinc/65/49/16/1349654916.db2.gz MKVMRDOTIZJQPS-UHFFFAOYSA-N -1 1 336.812 2.122 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCCC23CCCC3)n1 ZINC001592559970 1349657494 /nfs/dbraw/zinc/65/74/94/1349657494.db2.gz RFBXQRGSQRFZTE-LBPRGKRZSA-N -1 1 344.423 2.225 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCCC23CCCC3)n1 ZINC001592559970 1349657496 /nfs/dbraw/zinc/65/74/96/1349657496.db2.gz RFBXQRGSQRFZTE-LBPRGKRZSA-N -1 1 344.423 2.225 20 0 EEADMM FC(F)(Br)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592613064 1349669801 /nfs/dbraw/zinc/66/98/01/1349669801.db2.gz ZZSZZGUPMZVDDW-UHFFFAOYSA-N -1 1 345.560 2.376 20 0 EEADMM FC(F)(Br)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592613064 1349669806 /nfs/dbraw/zinc/66/98/06/1349669806.db2.gz ZZSZZGUPMZVDDW-UHFFFAOYSA-N -1 1 345.560 2.376 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592613735 1349671106 /nfs/dbraw/zinc/67/11/06/1349671106.db2.gz JYRHXDYSNVDXNC-VHSXEESVSA-N -1 1 326.326 2.464 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592613735 1349671107 /nfs/dbraw/zinc/67/11/07/1349671107.db2.gz JYRHXDYSNVDXNC-VHSXEESVSA-N -1 1 326.326 2.464 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001592622261 1349676250 /nfs/dbraw/zinc/67/62/50/1349676250.db2.gz ZEFFDDRNLCHJED-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001592622261 1349676254 /nfs/dbraw/zinc/67/62/54/1349676254.db2.gz ZEFFDDRNLCHJED-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM Fc1ccc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c(F)c1 ZINC001592648385 1349692980 /nfs/dbraw/zinc/69/29/80/1349692980.db2.gz JNVAHZWSSCTAIR-CQSZACIVSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c(F)c1 ZINC001592648385 1349692984 /nfs/dbraw/zinc/69/29/84/1349692984.db2.gz JNVAHZWSSCTAIR-CQSZACIVSA-N -1 1 344.325 2.118 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001592753058 1349712823 /nfs/dbraw/zinc/71/28/23/1349712823.db2.gz IDQIGAKLYLSOQH-UHFFFAOYSA-N -1 1 349.354 2.178 20 0 EEADMM O=C(CCc1cccc(F)c1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592850802 1349720112 /nfs/dbraw/zinc/72/01/12/1349720112.db2.gz JWOORPDFJNMLOZ-UHFFFAOYSA-N -1 1 349.366 2.455 20 0 EEADMM O=C(COc1cnc(-c2nn[n-]n2)nc1)c1ccc2ccccc2c1 ZINC001592899754 1349726149 /nfs/dbraw/zinc/72/61/49/1349726149.db2.gz JFIUMBUVSOLVGQ-UHFFFAOYSA-N -1 1 332.323 2.072 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592950061 1349729203 /nfs/dbraw/zinc/72/92/03/1349729203.db2.gz ROWADCTWDARCGJ-GXFFZTMASA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592950061 1349729205 /nfs/dbraw/zinc/72/92/05/1349729205.db2.gz ROWADCTWDARCGJ-GXFFZTMASA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001592996040 1349732823 /nfs/dbraw/zinc/73/28/23/1349732823.db2.gz GKOVDEXLTBICGC-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001592996040 1349732824 /nfs/dbraw/zinc/73/28/24/1349732824.db2.gz GKOVDEXLTBICGC-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC=CC12CCCC2 ZINC001593137505 1349740182 /nfs/dbraw/zinc/74/01/82/1349740182.db2.gz GMUDXVUNXBPZTF-UHFFFAOYSA-N -1 1 330.417 2.322 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(C2CCC2)c1 ZINC001593146149 1349741853 /nfs/dbraw/zinc/74/18/53/1349741853.db2.gz HRQYYMMRRLSQGF-UHFFFAOYSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(C2CCC2)c1 ZINC001593146149 1349741856 /nfs/dbraw/zinc/74/18/56/1349741856.db2.gz HRQYYMMRRLSQGF-UHFFFAOYSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(Nc1ccccc1OCc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001593253583 1349750216 /nfs/dbraw/zinc/75/02/16/1349750216.db2.gz WJEUNJNXKRORTM-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(Nc1ccccc1OCc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001593253583 1349750218 /nfs/dbraw/zinc/75/02/18/1349750218.db2.gz WJEUNJNXKRORTM-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1OCC1CC1 ZINC001593268842 1349756446 /nfs/dbraw/zinc/75/64/46/1349756446.db2.gz ZWGKBVBATAZOLT-UHFFFAOYSA-N -1 1 342.384 2.364 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1OCC1CC1 ZINC001593268842 1349756448 /nfs/dbraw/zinc/75/64/48/1349756448.db2.gz ZWGKBVBATAZOLT-UHFFFAOYSA-N -1 1 342.384 2.364 20 0 EEADMM O=C(OCCN1CCc2ccccc21)c1csc(-c2nnn[n-]2)c1 ZINC001593290448 1349765745 /nfs/dbraw/zinc/76/57/45/1349765745.db2.gz RLVJTAFACUSYJP-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM O=C(OCCN1CCc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001593290448 1349765750 /nfs/dbraw/zinc/76/57/50/1349765750.db2.gz RLVJTAFACUSYJP-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1ccsc1-c1nnn[n-]1 ZINC001593308844 1349777392 /nfs/dbraw/zinc/77/73/92/1349777392.db2.gz OBQLFFKDJZBGTG-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1ccsc1-c1nn[n-]n1 ZINC001593308844 1349777397 /nfs/dbraw/zinc/77/73/97/1349777397.db2.gz OBQLFFKDJZBGTG-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=S(=O)(Oc1cccc2c1CCC2)c1ccccc1-c1nn[n-]n1 ZINC001593449914 1349800937 /nfs/dbraw/zinc/80/09/37/1349800937.db2.gz KKXYZVQKLWGQRN-UHFFFAOYSA-N -1 1 342.380 2.123 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCOCc1ccccc1 ZINC001593493591 1349818668 /nfs/dbraw/zinc/81/86/68/1349818668.db2.gz CBHDXMWVUDVPEH-UHFFFAOYSA-N -1 1 347.378 2.398 20 0 EEADMM O[C@H](CNc1cnc(-c2nnn[n-]2)cn1)c1cc2ccccc2s1 ZINC001593506275 1349823956 /nfs/dbraw/zinc/82/39/56/1349823956.db2.gz IKQOEWTZMCKFOZ-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM O[C@H](CNc1cnc(-c2nn[n-]n2)cn1)c1cc2ccccc2s1 ZINC001593506275 1349823961 /nfs/dbraw/zinc/82/39/61/1349823961.db2.gz IKQOEWTZMCKFOZ-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM OCC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC001593529791 1349833000 /nfs/dbraw/zinc/83/30/00/1349833000.db2.gz NTOJASHZTLWZKO-CYBMUJFWSA-N -1 1 338.415 2.404 20 0 EEADMM OCC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC001593529791 1349833005 /nfs/dbraw/zinc/83/30/05/1349833005.db2.gz NTOJASHZTLWZKO-CYBMUJFWSA-N -1 1 338.415 2.404 20 0 EEADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc([C@H]2CCCCS2)no1 ZINC001593551384 1349844882 /nfs/dbraw/zinc/84/48/82/1349844882.db2.gz JWUHPQOEONNGHG-LLVKDONJSA-N -1 1 329.389 2.194 20 0 EEADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc([C@H]2CCCCS2)no1 ZINC001593551384 1349844889 /nfs/dbraw/zinc/84/48/89/1349844889.db2.gz JWUHPQOEONNGHG-LLVKDONJSA-N -1 1 329.389 2.194 20 0 EEADMM c1cnc2c(c1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593587354 1349866566 /nfs/dbraw/zinc/86/65/66/1349866566.db2.gz IKTMBRAAFZJCFM-GFCCVEGCSA-N -1 1 334.387 2.419 20 0 EEADMM c1cnc2c(c1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593587354 1349866569 /nfs/dbraw/zinc/86/65/69/1349866569.db2.gz IKTMBRAAFZJCFM-GFCCVEGCSA-N -1 1 334.387 2.419 20 0 EEADMM COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727253 1349941911 /nfs/dbraw/zinc/94/19/11/1349941911.db2.gz PRNKSQQLKDKYSS-XIKOKIGWSA-N -1 1 344.367 2.251 20 0 EEADMM COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727253 1349941914 /nfs/dbraw/zinc/94/19/14/1349941914.db2.gz PRNKSQQLKDKYSS-XIKOKIGWSA-N -1 1 344.367 2.251 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC001600110811 1349973159 /nfs/dbraw/zinc/97/31/59/1349973159.db2.gz HQJLVZFOTFAPLT-INIZCTEOSA-N -1 1 335.400 2.207 20 0 EEADMM Cc1ccc(-c2cc(CN3CCC([C@H](O)C(=O)[O-])CC3)on2)cc1 ZINC001600312528 1350017454 /nfs/dbraw/zinc/01/74/54/1350017454.db2.gz DOVKIXTZQNBSOE-KRWDZBQOSA-N -1 1 330.384 2.308 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NS(=O)(=O)c1cccc(F)c1 ZINC001600345412 1350025140 /nfs/dbraw/zinc/02/51/40/1350025140.db2.gz HZNHXKYDRRBCJS-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001600356689 1350028175 /nfs/dbraw/zinc/02/81/75/1350028175.db2.gz LELUSVJZHVICFI-MRXNPFEDSA-N -1 1 347.459 2.294 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccc(C(=O)[O-])cc1)CO2 ZINC001600493650 1350064961 /nfs/dbraw/zinc/06/49/61/1350064961.db2.gz QNFFEAIQKOYRRO-YOEHRIQHSA-N -1 1 343.379 2.156 20 0 EEADMM Cc1ccncc1N1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001600607105 1350096385 /nfs/dbraw/zinc/09/63/85/1350096385.db2.gz UBUQDONXISLFJL-UHFFFAOYSA-N -1 1 341.411 2.289 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)[C@H](CO)c1ccccc1 ZINC001600784320 1350136470 /nfs/dbraw/zinc/13/64/70/1350136470.db2.gz HYCVICUGRCNVTQ-QGZVFWFLSA-N -1 1 331.416 2.140 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H]1CN(C)Cc2ccccc21 ZINC001600786383 1350137012 /nfs/dbraw/zinc/13/70/12/1350137012.db2.gz XFVGBHKIIUIXPQ-GOSISDBHSA-N -1 1 342.443 2.251 20 0 EEADMM Cc1sc([C@@H]2CCCN2CCCN2CCOCC2)nc1C(=O)[O-] ZINC001600881830 1350159013 /nfs/dbraw/zinc/15/90/13/1350159013.db2.gz AVUSBBBFTOHZEM-ZDUSSCGKSA-N -1 1 339.461 2.009 20 0 EEADMM Cn1cc(CN2CCC[C@@H](Oc3ncccc3F)C2)cc1C(=O)[O-] ZINC001600951390 1350175354 /nfs/dbraw/zinc/17/53/54/1350175354.db2.gz JECODFGFTNCUNW-CYBMUJFWSA-N -1 1 333.363 2.301 20 0 EEADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001600982980 1350182050 /nfs/dbraw/zinc/18/20/50/1350182050.db2.gz OKAQQWHZPJUISC-ZBFHGGJFSA-N -1 1 347.390 2.203 20 0 EEADMM Nc1nnc(C2CCN(Cc3cc(C(=O)[O-])ccc3Cl)CC2)o1 ZINC001601223055 1350235589 /nfs/dbraw/zinc/23/55/89/1350235589.db2.gz UJGVZDBQOYDKHT-UHFFFAOYSA-N -1 1 336.779 2.383 20 0 EEADMM O=C([O-])c1ccc([C@H](OC(=O)CCc2nc[nH]n2)C(F)(F)F)cc1 ZINC001601296374 1350251585 /nfs/dbraw/zinc/25/15/85/1350251585.db2.gz HQUCXPMLZFLOBI-LBPRGKRZSA-N -1 1 343.261 2.282 20 0 EEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC001601306640 1350253720 /nfs/dbraw/zinc/25/37/20/1350253720.db2.gz WXOBXNXVFRESHW-AGIUHOORSA-N -1 1 337.807 2.249 20 0 EEADMM O=C([O-])c1ccccc1CC(=O)OCc1nc[nH]c1C(F)(F)F ZINC001601368683 1350268135 /nfs/dbraw/zinc/26/81/35/1350268135.db2.gz HWQWXVGXDLWFOM-UHFFFAOYSA-N -1 1 328.246 2.413 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccn(-c2ccncc2)n1)CC1CCCC1 ZINC001601457228 1350287946 /nfs/dbraw/zinc/28/79/46/1350287946.db2.gz BPSYZMBYVSEAEU-CQSZACIVSA-N -1 1 342.399 2.278 20 0 EEADMM O=C([O-])[C@@H](NCc1cn2cccc(F)c2n1)c1ccc2c(c1)CCO2 ZINC001601677298 1350335351 /nfs/dbraw/zinc/33/53/51/1350335351.db2.gz XCIZBCFJGLSTSS-INIZCTEOSA-N -1 1 341.342 2.324 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cccc3[nH]c(=O)oc32)C1 ZINC001601707375 1350344248 /nfs/dbraw/zinc/34/42/48/1350344248.db2.gz OERPXEFUYZVDFG-CYBMUJFWSA-N -1 1 330.262 2.372 20 0 EEADMM O=C([O-])[C@H]1[C@H](CN2CCC(O)(c3c(F)cccc3F)CC2)C1(F)F ZINC001601749005 1350355280 /nfs/dbraw/zinc/35/52/80/1350355280.db2.gz JCWNFDFQAZZKJY-JOYOIKCWSA-N -1 1 347.308 2.214 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cccc(COc2ccccc2)c1 ZINC001601772915 1350361396 /nfs/dbraw/zinc/36/13/96/1350361396.db2.gz NSUPOTUSHMIKRQ-SJLPKXTDSA-N -1 1 327.380 2.285 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2ccc(O)cc2)CC1 ZINC001602144654 1350450104 /nfs/dbraw/zinc/45/01/04/1350450104.db2.gz ULBJZQAZAPDXBQ-UHFFFAOYSA-N -1 1 326.396 2.342 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc3nccn32)C1 ZINC001602195896 1350462785 /nfs/dbraw/zinc/46/27/85/1350462785.db2.gz NYHDUBWZCCJLTR-MNOVXSKESA-N -1 1 327.306 2.419 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccnc(OC(F)F)c1 ZINC001602308681 1350489786 /nfs/dbraw/zinc/48/97/86/1350489786.db2.gz OVIGGJHCDLODQK-JTQLQIEISA-N -1 1 338.314 2.202 20 0 EEADMM O=C([O-])c1ccc(-c2nc(CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)co2)cc1 ZINC001602310500 1350490508 /nfs/dbraw/zinc/49/05/08/1350490508.db2.gz KOSASNYKMKFCIX-IMJJTQAJSA-N -1 1 328.368 2.243 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(O)(Cc3ccccc3F)CC2)nc1 ZINC001602336475 1350497254 /nfs/dbraw/zinc/49/72/54/1350497254.db2.gz DVSGIIUGRIJBCV-UHFFFAOYSA-N -1 1 344.386 2.489 20 0 EEADMM O=C([O-])c1cccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)n1 ZINC001602437856 1350519795 /nfs/dbraw/zinc/51/97/95/1350519795.db2.gz DSYUJDMYTZSSRB-GFCCVEGCSA-N -1 1 327.388 2.086 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCCN(CCO[C@@H]3CC3(F)F)C2)s1 ZINC001602512957 1350535237 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/nfs/dbraw/zinc/15/46/75/1351154675.db2.gz AEFMXFHJFWSDHV-JTQLQIEISA-N -1 1 329.385 2.245 20 0 EEADMM C[C@@H](Cc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001605403026 1351154678 /nfs/dbraw/zinc/15/46/78/1351154678.db2.gz AEFMXFHJFWSDHV-JTQLQIEISA-N -1 1 329.385 2.245 20 0 EEADMM Cc1ccc(F)c(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001605863191 1351240698 /nfs/dbraw/zinc/24/06/98/1351240698.db2.gz YGACYVQQFFJHAW-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001605863191 1351240699 /nfs/dbraw/zinc/24/06/99/1351240699.db2.gz YGACYVQQFFJHAW-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM CCc1oc(CNC[C@@H](O)C(F)(F)C(F)(F)F)cc1C(=O)[O-] ZINC001605891792 1351248500 /nfs/dbraw/zinc/24/85/00/1351248500.db2.gz IFIQQVPYZGULRM-SECBINFHSA-N -1 1 331.237 2.188 20 0 EEADMM Cc1cccc(C)c1CS(=O)(=O)Cc1nc(-c2nnn[n-]2)cs1 ZINC001605908620 1351251775 /nfs/dbraw/zinc/25/17/75/1351251775.db2.gz IJWSTKYFJAVDFB-UHFFFAOYSA-N -1 1 349.441 2.055 20 0 EEADMM Cc1cccc(C)c1CS(=O)(=O)Cc1nc(-c2nn[n-]n2)cs1 ZINC001605908620 1351251780 /nfs/dbraw/zinc/25/17/80/1351251780.db2.gz IJWSTKYFJAVDFB-UHFFFAOYSA-N -1 1 349.441 2.055 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1cccc(F)c1 ZINC001606012367 1351263330 /nfs/dbraw/zinc/26/33/30/1351263330.db2.gz VSZYCTDEJBQNJS-AWEZNQCLSA-N -1 1 346.362 2.343 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC001606167849 1351281198 /nfs/dbraw/zinc/28/11/98/1351281198.db2.gz YLJUGISLIHNOSI-NSHDSACASA-N -1 1 330.175 2.082 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC001606167849 1351281201 /nfs/dbraw/zinc/28/12/01/1351281201.db2.gz YLJUGISLIHNOSI-NSHDSACASA-N -1 1 330.175 2.082 20 0 EEADMM O=C(C=Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606485548 1351310173 /nfs/dbraw/zinc/31/01/73/1351310173.db2.gz KQQSWQTXVLUHGZ-ONEGZZNKSA-N -1 1 333.764 2.024 20 0 EEADMM COC(=O)c1ccc(CNCc2ccccc2OCC(=O)[O-])cc1 ZINC001606589196 1351328273 /nfs/dbraw/zinc/32/82/73/1351328273.db2.gz OYWDRQKNVFQOKR-UHFFFAOYSA-N -1 1 329.352 2.226 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1CC2CCC1CC2 ZINC001606596772 1351329482 /nfs/dbraw/zinc/32/94/82/1351329482.db2.gz VBMAZAHGFBCUGJ-UBHUBRDASA-N -1 1 327.388 2.174 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1CC2CCC1CC2 ZINC001606596772 1351329483 /nfs/dbraw/zinc/32/94/83/1351329483.db2.gz VBMAZAHGFBCUGJ-UBHUBRDASA-N -1 1 327.388 2.174 20 0 EEADMM O=C(NC[C@@H]1CCCSC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606735629 1351349266 /nfs/dbraw/zinc/34/92/66/1351349266.db2.gz USRQOVVCFSOQOW-QMMMGPOBSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NC[C@@H]1CCCSC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606735629 1351349268 /nfs/dbraw/zinc/34/92/68/1351349268.db2.gz USRQOVVCFSOQOW-QMMMGPOBSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606762531 1351353114 /nfs/dbraw/zinc/35/31/14/1351353114.db2.gz WFABTQMARPKLIT-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606762531 1351353118 /nfs/dbraw/zinc/35/31/18/1351353118.db2.gz WFABTQMARPKLIT-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCCc1ccsc1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606796194 1351357787 /nfs/dbraw/zinc/35/77/87/1351357787.db2.gz LOAKPVMWMLPDDO-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ncc2ccccc2c1[O-] ZINC001606839013 1351365461 /nfs/dbraw/zinc/36/54/61/1351365461.db2.gz SGNLPZYJFBCJCY-UHFFFAOYSA-N -1 1 346.350 2.051 20 0 EEADMM COCC1(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001606842299 1351365630 /nfs/dbraw/zinc/36/56/30/1351365630.db2.gz FMIYOMIOTSJXJN-UHFFFAOYSA-N -1 1 343.401 2.093 20 0 EEADMM O=C([N-]c1cc(F)cc(-c2nn[nH]n2)c1)c1ocnc1C(F)(F)F ZINC001606902429 1351373057 /nfs/dbraw/zinc/37/30/57/1351373057.db2.gz OKBZBPPQQGOBIB-UHFFFAOYSA-N -1 1 342.212 2.265 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCc2sccc2C1 ZINC001607015106 1351397417 /nfs/dbraw/zinc/39/74/17/1351397417.db2.gz JNMROPREFHIOTE-UHFFFAOYSA-N -1 1 346.803 2.175 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC001607025978 1351400165 /nfs/dbraw/zinc/40/01/65/1351400165.db2.gz RUYHMZYJZCNAAN-INIZCTEOSA-N -1 1 349.398 2.414 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1c1ccncc1 ZINC001607025978 1351400166 /nfs/dbraw/zinc/40/01/66/1351400166.db2.gz RUYHMZYJZCNAAN-INIZCTEOSA-N -1 1 349.398 2.414 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1CC[C@H](C2CC2)O1 ZINC001607090242 1351413936 /nfs/dbraw/zinc/41/39/36/1351413936.db2.gz NHEYPSGHZFXMRB-GXFFZTMASA-N -1 1 343.412 2.201 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001607090266 1351414143 /nfs/dbraw/zinc/41/41/43/1351414143.db2.gz OBZXAHWSJPYXFZ-GBIKHYSHSA-N -1 1 343.412 2.201 20 0 EEADMM c1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)ccn1 ZINC001607118298 1351426562 /nfs/dbraw/zinc/42/65/62/1351426562.db2.gz YHJYHNRUCRMMSE-CQSZACIVSA-N -1 1 334.387 2.271 20 0 EEADMM c1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)ccn1 ZINC001607118298 1351426565 /nfs/dbraw/zinc/42/65/65/1351426565.db2.gz YHJYHNRUCRMMSE-CQSZACIVSA-N -1 1 334.387 2.271 20 0 EEADMM c1nn(Cc2ccncc2)cc1NCc1csc(-c2nn[n-]n2)c1 ZINC001607119657 1351426689 /nfs/dbraw/zinc/42/66/89/1351426689.db2.gz GDAAACZKLPJFLH-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001607338732 1351477964 /nfs/dbraw/zinc/47/79/64/1351477964.db2.gz VOBCRMQGVDQNMP-MGPQQGTHSA-N -1 1 334.416 2.058 20 0 EEADMM COc1nsc(CN[C@@](C)(CCF)C(=O)[O-])c1Br ZINC001607364355 1351483355 /nfs/dbraw/zinc/48/33/55/1351483355.db2.gz SUNALBWSCOWZIY-JTQLQIEISA-N -1 1 341.202 2.207 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@H]1CCSc2c(Cl)cccc21)C(=O)[O-] ZINC001607459728 1351497505 /nfs/dbraw/zinc/49/75/05/1351497505.db2.gz JJMAWYZURXYBQW-AUTRQRHGSA-N -1 1 342.848 2.444 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001607499754 1351506360 /nfs/dbraw/zinc/50/63/60/1351506360.db2.gz BTJOGNABRJOFNY-YMTOWFKASA-N -1 1 345.321 2.454 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001607602147 1351522463 /nfs/dbraw/zinc/52/24/63/1351522463.db2.gz NOOCQWNVMBHYGX-CYBMUJFWSA-N -1 1 340.339 2.266 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001607602933 1351522964 /nfs/dbraw/zinc/52/29/64/1351522964.db2.gz IVMOJXKOMGJQJQ-UHFFFAOYSA-N -1 1 330.275 2.463 20 0 EEADMM Cc1cc(C)cc([C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-])c1 ZINC001607626234 1351528242 /nfs/dbraw/zinc/52/82/42/1351528242.db2.gz VTTYRIBLQCIDDQ-GFCCVEGCSA-N -1 1 332.322 2.087 20 0 EEADMM Cc1cc(CN)oc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001607640713 1351531487 /nfs/dbraw/zinc/53/14/87/1351531487.db2.gz UUAMCBYDWAUBRN-AWEZNQCLSA-N -1 1 330.384 2.253 20 0 EEADMM Cc1oc(CNC[C@H](O)COc2cc(C)ccc2C)cc1C(=O)[O-] ZINC001607764322 1351554036 /nfs/dbraw/zinc/55/40/36/1351554036.db2.gz JPNWBEGBLZTFRA-AWEZNQCLSA-N -1 1 333.384 2.433 20 0 EEADMM Cc1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC001607779421 1351557195 /nfs/dbraw/zinc/55/71/95/1351557195.db2.gz GMLRDXZZDCAZJF-VXGBXAGGSA-N -1 1 328.206 2.025 20 0 EEADMM Cc1cccc(C)c1NC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001607845231 1351570503 /nfs/dbraw/zinc/57/05/03/1351570503.db2.gz LSDUXACXMZADGF-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC001607984603 1351597948 /nfs/dbraw/zinc/59/79/48/1351597948.db2.gz FQIATOWWQGABAG-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1n[nH]c2cc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc12 ZINC001607984550 1351598032 /nfs/dbraw/zinc/59/80/32/1351598032.db2.gz DTFCZICYRCELPF-UHFFFAOYSA-N -1 1 346.368 2.074 20 0 EEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc12 ZINC001607984550 1351598034 /nfs/dbraw/zinc/59/80/34/1351598034.db2.gz DTFCZICYRCELPF-UHFFFAOYSA-N -1 1 346.368 2.074 20 0 EEADMM Cn1cc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1C(=O)[O-] ZINC001608115375 1351628405 /nfs/dbraw/zinc/62/84/05/1351628405.db2.gz SURROGUXTWWBPG-MRXNPFEDSA-N -1 1 341.411 2.177 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(-n2ccnc2)nc1 ZINC001625319258 1352446130 /nfs/dbraw/zinc/44/61/30/1352446130.db2.gz WYFOZSUUJCHWAK-UHFFFAOYSA-N -1 1 342.786 2.485 20 0 EEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ncc2ccccc2c1[O-] ZINC001626418314 1352462410 /nfs/dbraw/zinc/46/24/10/1352462410.db2.gz QHIWMXYSDOAZCQ-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1cccc2[nH]nnc21)c1ncc(Br)cc1[O-] ZINC001628063313 1352519032 /nfs/dbraw/zinc/51/90/32/1352519032.db2.gz HUBQOEAJDKLZJB-UHFFFAOYSA-N -1 1 334.133 2.073 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCC[C@H]3CCOC3)n2)cc1 ZINC001645831611 1352804068 /nfs/dbraw/zinc/80/40/68/1352804068.db2.gz GOAWDMWZYNZFLF-GFCCVEGCSA-N -1 1 332.356 2.170 20 0 EEADMM O=C([N-]CC1CN(C(=O)N[C@H]2C[C@H]2C2CCCCC2)C1)C(F)(F)F ZINC001647357249 1353242431 /nfs/dbraw/zinc/24/24/31/1353242431.db2.gz IKBFLQADEHWKQJ-STQMWFEESA-N -1 1 347.381 2.275 20 0 EEADMM Cn1nc(C(C)(C)C)cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649691398 1353558299 /nfs/dbraw/zinc/55/82/99/1353558299.db2.gz NGXCUVXICHFHDF-UHFFFAOYSA-N -1 1 332.356 2.169 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n(C)n1 ZINC001652722451 1354100371 /nfs/dbraw/zinc/10/03/71/1354100371.db2.gz ARIQBXHEGKXVDW-UHFFFAOYSA-N -1 1 341.323 2.023 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccc3cc[nH]c32)c1 ZINC001668607399 1355971538 /nfs/dbraw/zinc/97/15/38/1355971538.db2.gz SAZOSBZCBRYPHL-UHFFFAOYSA-N -1 1 332.381 2.361 20 0 EEADMM CCC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1 ZINC001671507550 1356352515 /nfs/dbraw/zinc/35/25/15/1356352515.db2.gz DKNMWNXWKPCMJB-HNNXBMFYSA-N -1 1 339.399 2.021 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1cc(O)cc(O)c1 ZINC000121516873 1357930222 /nfs/dbraw/zinc/93/02/22/1357930222.db2.gz ISAOLXNXZHMVPK-UHFFFAOYSA-N -1 1 325.118 2.213 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC1(C)C ZINC001388523421 1387523831 /nfs/dbraw/zinc/52/38/31/1387523831.db2.gz HTJRDWVXSBRJLP-CHWSQXEVSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(F)c(F)c1 ZINC000820774001 1367460216 /nfs/dbraw/zinc/46/02/16/1367460216.db2.gz PZWCRQQHRHWASH-VIFPVBQESA-N -1 1 338.401 2.122 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389023486 1387896075 /nfs/dbraw/zinc/89/60/75/1387896075.db2.gz DZHKPFDAKVSWJK-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(CCC1CCC1)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389031733 1387904865 /nfs/dbraw/zinc/90/48/65/1387904865.db2.gz GDYJCUQKAJMLJQ-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM COC(=O)c1onc(C)c1[N-]C(=O)c1ccc(OC(F)(F)F)cn1 ZINC001192840200 1368429697 /nfs/dbraw/zinc/42/96/97/1368429697.db2.gz WYFHITNQXWMPLE-UHFFFAOYSA-N -1 1 345.233 2.316 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1cc(OCC)cc(C(=O)OC)c1 ZINC001195490493 1368544043 /nfs/dbraw/zinc/54/40/43/1368544043.db2.gz HUAMVURFDVLOQI-UHFFFAOYSA-N -1 1 326.374 2.315 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccccc1Cl)NC(=O)c1ncccc1[O-] ZINC001487900564 1368737766 /nfs/dbraw/zinc/73/77/66/1368737766.db2.gz BOZWBUAQFRYODX-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(NC(=S)Nc3cccc(Cl)c3)c2[nH]1 ZINC001201108674 1368782125 /nfs/dbraw/zinc/78/21/25/1368782125.db2.gz WJBRNJFEGLLDOO-UHFFFAOYSA-N -1 1 336.764 2.226 20 0 EEADMM CC1(CCC(=O)N[C@H]2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001488309027 1368968304 /nfs/dbraw/zinc/96/83/04/1368968304.db2.gz FEPZNNNHXMJNTM-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)CC2(C)CC2)C1 ZINC001489946384 1369194062 /nfs/dbraw/zinc/19/40/62/1369194062.db2.gz ALNGWPPVIKAKCD-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](N2CCOC2=O)C1 ZINC000855511395 1369393517 /nfs/dbraw/zinc/39/35/17/1369393517.db2.gz WXCPBEOQSLONOT-AWEZNQCLSA-N -1 1 326.352 2.212 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCCO)ccc2C)c1 ZINC000862539315 1369537945 /nfs/dbraw/zinc/53/79/45/1369537945.db2.gz MPTPQOXIHRMRAO-UHFFFAOYSA-N -1 1 349.408 2.253 20 0 EEADMM CCc1nsc(NC[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001069461883 1370134152 /nfs/dbraw/zinc/13/41/52/1370134152.db2.gz UTXOZXVZUDGJON-MNOVXSKESA-N -1 1 347.444 2.212 20 0 EEADMM CCC[C@H](C)CC(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001389357583 1388070249 /nfs/dbraw/zinc/07/02/49/1388070249.db2.gz RBJKDFDQMNTXNE-RYUDHWBXSA-N -1 1 348.447 2.120 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CCC1CCCC1 ZINC001071952327 1370585667 /nfs/dbraw/zinc/58/56/67/1370585667.db2.gz KSWGVRQNVOQTRN-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952806 1370586826 /nfs/dbraw/zinc/58/68/26/1370586826.db2.gz QXYNTGGKUWFLKS-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001072175185 1370632653 /nfs/dbraw/zinc/63/26/53/1370632653.db2.gz NZRKMUKBAHRSIM-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@H](CC1CCCC1)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001389469406 1388138834 /nfs/dbraw/zinc/13/88/34/1388138834.db2.gz BTAGGIYTEANDFK-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([N-]CC1CCN(c2ncc(C(F)F)cn2)CC1)C(F)(F)F ZINC000828077408 1372235764 /nfs/dbraw/zinc/23/57/64/1372235764.db2.gz MIYXQNSLEARMAB-UHFFFAOYSA-N -1 1 338.280 2.309 20 0 EEADMM C[S@@](=O)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000830540371 1372333557 /nfs/dbraw/zinc/33/35/57/1372333557.db2.gz UQFLQZDFSLZPIQ-GOSISDBHSA-N -1 1 337.875 2.212 20 0 EEADMM Cc1ccc(OCC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830840367 1372353745 /nfs/dbraw/zinc/35/37/45/1372353745.db2.gz IXTYCXQRFAUSJK-HNNXBMFYSA-N -1 1 344.333 2.043 20 0 EEADMM CC(C)[C@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)C1(CO)CCCC1 ZINC000839075574 1372890439 /nfs/dbraw/zinc/89/04/39/1372890439.db2.gz ZIRYMEILUONGGC-HNNXBMFYSA-N -1 1 345.447 2.041 20 0 EEADMM COCCC(C)(C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340467 1373137024 /nfs/dbraw/zinc/13/70/24/1373137024.db2.gz XAOUXPZKFOQHME-GHMZBOCLSA-N -1 1 338.370 2.107 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001362124280 1373368035 /nfs/dbraw/zinc/36/80/35/1373368035.db2.gz OJXYDIPWFICSBC-UHFFFAOYSA-N -1 1 334.357 2.335 20 0 EEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@H]1C1CC1 ZINC001362309700 1373392310 /nfs/dbraw/zinc/39/23/10/1373392310.db2.gz ZMTQVQJZWGZUSW-LBPRGKRZSA-N -1 1 326.190 2.406 20 0 EEADMM CC[C@H](C)n1nc(C)c(-c2cc(C(=O)[N-]N3CCCC3=O)n[nH]2)c1C ZINC001362685020 1373448955 /nfs/dbraw/zinc/44/89/55/1373448955.db2.gz HVXOLRNEEGOUFN-JTQLQIEISA-N -1 1 344.419 2.128 20 0 EEADMM CCC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-])C(C)C ZINC001372708185 1376157448 /nfs/dbraw/zinc/15/74/48/1376157448.db2.gz QPNMQFOOXBQMLM-TTZDDIAXSA-N -1 1 345.443 2.046 20 0 EEADMM CC(C)c1ccccc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001372924919 1376298512 /nfs/dbraw/zinc/29/85/12/1376298512.db2.gz UHDJKYNNAYRAFQ-ZDUSSCGKSA-N -1 1 341.411 2.459 20 0 EEADMM CCCc1nc(C)c(CN(C)C[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001375030600 1377298010 /nfs/dbraw/zinc/29/80/10/1377298010.db2.gz FWOGLTSZYFWZCX-LBPRGKRZSA-N -1 1 346.431 2.286 20 0 EEADMM Cc1cscc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001380693690 1381342476 /nfs/dbraw/zinc/34/24/76/1381342476.db2.gz WXQDICGNMYGASZ-NSHDSACASA-N -1 1 333.413 2.048 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001381409678 1381603595 /nfs/dbraw/zinc/60/35/95/1381603595.db2.gz KNMVDVLTZAHWMO-CHWSQXEVSA-N -1 1 331.416 2.135 20 0 EEADMM C[C@@H](C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CC1 ZINC001384355896 1382892794 /nfs/dbraw/zinc/89/27/94/1382892794.db2.gz KBDSVKZFTBUNBG-RISCZKNCSA-N -1 1 333.432 2.094 20 0 EEADMM CC(C)C(=O)N[C@]1(CNC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001390873137 1388838109 /nfs/dbraw/zinc/83/81/09/1388838109.db2.gz DZBUSCFEBWHDQM-UGSOOPFHSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001386960963 1386417890 /nfs/dbraw/zinc/41/78/90/1386417890.db2.gz GTCNXBDVWNFPFR-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)(C(=O)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001391294100 1389214506 /nfs/dbraw/zinc/21/45/06/1389214506.db2.gz CPJVXJDCMCWQCD-ZDUSSCGKSA-N -1 1 349.479 2.055 20 0 EEADMM CC(C)C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccoc1C(C)C ZINC001392162569 1389854384 /nfs/dbraw/zinc/85/43/84/1389854384.db2.gz NLXRBWZGXVXUCR-LBPRGKRZSA-N -1 1 349.435 2.161 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NCc1ncc(C2CC2)o1 ZINC001392217424 1389906639 /nfs/dbraw/zinc/90/66/39/1389906639.db2.gz ZNQYXVKQCSCCBQ-ZDUSSCGKSA-N -1 1 344.415 2.197 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CNC(=O)C1(C)CCC1 ZINC001392527082 1390081075 /nfs/dbraw/zinc/08/10/75/1390081075.db2.gz SIUOUQZYVJWWHL-LLVKDONJSA-N -1 1 348.447 2.039 20 0 EEADMM O=C(N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1)C1CCCCCC1 ZINC001393078524 1390309377 /nfs/dbraw/zinc/30/93/77/1390309377.db2.gz QVSLBRWEQMRHLD-HNNXBMFYSA-N -1 1 349.479 2.245 20 0 EEADMM O=C(CCC1CC1)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001395258758 1390808679 /nfs/dbraw/zinc/80/86/79/1390808679.db2.gz QCLMHMRQJIOOFR-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001395947450 1390885611 /nfs/dbraw/zinc/88/56/11/1390885611.db2.gz JUTNKQMWTZYKHI-KBPBESRZSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(C=C1CCCCC1)NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753022683 1406598607 /nfs/dbraw/zinc/59/86/07/1406598607.db2.gz OXPBEEKSLHVKNZ-HNNXBMFYSA-N -1 1 347.463 2.262 20 0 EEADMM CCCCC(=O)NC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001399552537 1395240276 /nfs/dbraw/zinc/24/02/76/1395240276.db2.gz GXIZQVZILMIDMZ-CQSZACIVSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)c1ocnc1CN(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001401361317 1397191001 /nfs/dbraw/zinc/19/10/01/1397191001.db2.gz DRGATUDVUYLOEU-UHFFFAOYSA-N -1 1 332.404 2.103 20 0 EEADMM O=C(CCCC1CCCCC1)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001402067892 1397744674 /nfs/dbraw/zinc/74/46/74/1397744674.db2.gz GVVLKPNYYOQERV-HNNXBMFYSA-N -1 1 349.479 2.342 20 0 EEADMM O=S(=O)([N-]Cc1ccccc1OC(F)F)c1c[nH]nc1Cl ZINC001423589251 1400661732 /nfs/dbraw/zinc/66/17/32/1400661732.db2.gz IICNXMVWUUHJRO-UHFFFAOYSA-N -1 1 337.735 2.143 20 0 EEADMM CCc1ccccc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425047380 1401410121 /nfs/dbraw/zinc/41/01/21/1401410121.db2.gz XWJXKXGVDTWIPH-CYBMUJFWSA-N -1 1 341.411 2.240 20 0 EEADMM CCCC(C)(C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001427517661 1402457269 /nfs/dbraw/zinc/45/72/69/1402457269.db2.gz XPAQOMJGEJQOGS-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM Cc1ccc([C@H](C)C(=O)N(C)CCNC(=O)c2ncccc2[O-])cc1 ZINC001429226855 1402934580 /nfs/dbraw/zinc/93/45/80/1402934580.db2.gz NNZWWKIVUDAGCN-AWEZNQCLSA-N -1 1 341.411 2.088 20 0 EEADMM C[C@@](CNC(=O)C1CC(C)(C)C1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432863876 1403308949 /nfs/dbraw/zinc/30/89/49/1403308949.db2.gz YTKWPIZVIHJOCK-IBGZPJMESA-N -1 1 345.443 2.238 20 0 EEADMM CCc1cc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1Cl ZINC001433931035 1403447245 /nfs/dbraw/zinc/44/72/45/1403447245.db2.gz JNOUYHJAGJJBHU-GFCCVEGCSA-N -1 1 349.822 2.201 20 0 EEADMM CC[C@@H](C)c1nnc(N2CCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576682990 1403597313 /nfs/dbraw/zinc/59/73/13/1403597313.db2.gz HMYMHZYEZIDZDA-LLVKDONJSA-N -1 1 342.407 2.213 20 0 EEADMM CC[C@@H](C)c1nnc(N2CCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576682990 1403597318 /nfs/dbraw/zinc/59/73/18/1403597318.db2.gz HMYMHZYEZIDZDA-LLVKDONJSA-N -1 1 342.407 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2C(F)(F)F)c1 ZINC001580608897 1403863321 /nfs/dbraw/zinc/86/33/21/1403863321.db2.gz MOMXLICKIQFMEQ-UHFFFAOYSA-N -1 1 335.289 2.404 20 0 EEADMM CCN1CCc2ccc(NC(=O)c3cc(-c4nnn[n-]4)oc3C)cc21 ZINC001590737095 1403891123 /nfs/dbraw/zinc/89/11/23/1403891123.db2.gz FCYUDEFGVQCIPK-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CCN1CCc2ccc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)cc21 ZINC001590737095 1403891131 /nfs/dbraw/zinc/89/11/31/1403891131.db2.gz FCYUDEFGVQCIPK-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591334706 1403906420 /nfs/dbraw/zinc/90/64/20/1403906420.db2.gz AQZOKUDSBUAFNN-OTYXRUKQSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591334706 1403906425 /nfs/dbraw/zinc/90/64/25/1403906425.db2.gz AQZOKUDSBUAFNN-OTYXRUKQSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001592122051 1403998868 /nfs/dbraw/zinc/99/88/68/1403998868.db2.gz WSIGBXOPLSTVDA-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001592122051 1403998872 /nfs/dbraw/zinc/99/88/72/1403998872.db2.gz WSIGBXOPLSTVDA-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592134398 1404002601 /nfs/dbraw/zinc/00/26/01/1404002601.db2.gz CTNJHYZKHMIPCL-SNVBAGLBSA-N -1 1 328.401 2.052 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592134398 1404002607 /nfs/dbraw/zinc/00/26/07/1404002607.db2.gz CTNJHYZKHMIPCL-SNVBAGLBSA-N -1 1 328.401 2.052 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc2c1CCCC2 ZINC001592915583 1404728671 /nfs/dbraw/zinc/72/86/71/1404728671.db2.gz MRVHBDGTOWIYLV-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc2c1CCCC2 ZINC001592915583 1404728675 /nfs/dbraw/zinc/72/86/75/1404728675.db2.gz MRVHBDGTOWIYLV-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1nc2ccccc2s1 ZINC001592915801 1404729231 /nfs/dbraw/zinc/72/92/31/1404729231.db2.gz RHEBUBCGARSDQB-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1nc2ccccc2s1 ZINC001592915801 1404729233 /nfs/dbraw/zinc/72/92/33/1404729233.db2.gz RHEBUBCGARSDQB-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1cccc2ccccc21 ZINC001592913824 1404729289 /nfs/dbraw/zinc/72/92/89/1404729289.db2.gz JOQCOIRMQLVGAY-UHFFFAOYSA-N -1 1 344.378 2.274 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1cccc2ccccc21 ZINC001592913824 1404729292 /nfs/dbraw/zinc/72/92/92/1404729292.db2.gz JOQCOIRMQLVGAY-UHFFFAOYSA-N -1 1 344.378 2.274 20 0 EEADMM Cc1nc(C(C)C)oc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606034332 1404758483 /nfs/dbraw/zinc/75/84/83/1404758483.db2.gz SXHICUPYOGLKJV-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1nc(C(C)C)oc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606034332 1404758486 /nfs/dbraw/zinc/75/84/86/1404758486.db2.gz SXHICUPYOGLKJV-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001606147396 1404767577 /nfs/dbraw/zinc/76/75/77/1404767577.db2.gz HAXLMTSEAMWJQX-WVWOOGAGSA-N -1 1 348.447 2.348 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001606148382 1404769290 /nfs/dbraw/zinc/76/92/90/1404769290.db2.gz GYWJRIWWIYZPKS-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001606148382 1404769300 /nfs/dbraw/zinc/76/93/00/1404769300.db2.gz GYWJRIWWIYZPKS-MRVPVSSYSA-N -1 1 348.363 2.177 20 0 EEADMM 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CCNC(=O)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000747273368 577942156 /nfs/dbraw/zinc/94/21/56/577942156.db2.gz MQUKPODTWXFHJN-UHFFFAOYSA-N -1 1 337.401 2.051 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc2c(s1)CCC2 ZINC000749320598 577974579 /nfs/dbraw/zinc/97/45/79/577974579.db2.gz ZWVGOBMMIITVOH-AWEZNQCLSA-N -1 1 325.397 2.269 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](C)C2CCCC2)cc1 ZINC000750476873 577992893 /nfs/dbraw/zinc/99/28/93/577992893.db2.gz QFHMWSQEMHIYRN-GFCCVEGCSA-N -1 1 333.384 2.321 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000739515462 578056412 /nfs/dbraw/zinc/05/64/12/578056412.db2.gz IMAMKCSXDHGLAT-CVEARBPZSA-N -1 1 338.835 2.262 20 0 EEADMM C[C@H](CSc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736046387 578178168 /nfs/dbraw/zinc/17/81/68/578178168.db2.gz ISTLNZCZCWNHKY-GFCCVEGCSA-N -1 1 331.445 2.334 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000736158017 578183697 /nfs/dbraw/zinc/18/36/97/578183697.db2.gz 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ZINC000736745564 578221419 /nfs/dbraw/zinc/22/14/19/578221419.db2.gz DLPONDREFMPTTH-CYBMUJFWSA-N -1 1 334.397 2.129 20 0 EEADMM CC1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000736796620 578224108 /nfs/dbraw/zinc/22/41/08/578224108.db2.gz GGAHPKFFVGPSKX-KRWDZBQOSA-N -1 1 343.427 2.012 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCN1CCOC ZINC000736936891 578230295 /nfs/dbraw/zinc/23/02/95/578230295.db2.gz CPLZLBJCQBTYBR-AWEZNQCLSA-N -1 1 349.431 2.268 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1CCOC ZINC000736937109 578230373 /nfs/dbraw/zinc/23/03/73/578230373.db2.gz FKXWSYRTFFCYKS-HNNXBMFYSA-N -1 1 349.431 2.268 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccsc1 ZINC000737199757 578243448 /nfs/dbraw/zinc/24/34/48/578243448.db2.gz JATTXFUBVMYWRN-UHFFFAOYSA-N -1 1 344.400 2.217 20 0 EEADMM Cc1cc(C)cc(OCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737257808 578246524 /nfs/dbraw/zinc/24/65/24/578246524.db2.gz YWDLKOVMFIRISS-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cc1cc(C)cc(OCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737257808 578246525 /nfs/dbraw/zinc/24/65/25/578246525.db2.gz YWDLKOVMFIRISS-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cc1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)on1 ZINC000737261951 578246659 /nfs/dbraw/zinc/24/66/59/578246659.db2.gz INWMLBAUABYMBN-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737366085 578253034 /nfs/dbraw/zinc/25/30/34/578253034.db2.gz OSIXWMMPUGAJQZ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)o1 ZINC000737489052 578260352 /nfs/dbraw/zinc/26/03/52/578260352.db2.gz FFXWSABKPQSMLA-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)o1 ZINC000737489052 578260353 /nfs/dbraw/zinc/26/03/53/578260353.db2.gz FFXWSABKPQSMLA-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Clc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737576308 578265270 /nfs/dbraw/zinc/26/52/70/578265270.db2.gz PHEJQMIUGXIASG-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737576308 578265271 /nfs/dbraw/zinc/26/52/71/578265271.db2.gz PHEJQMIUGXIASG-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccc(N2CCO[C@@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576432 578265415 /nfs/dbraw/zinc/26/54/15/578265415.db2.gz RDGCXIAAWQSVEG-CYBMUJFWSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccc(N2CCO[C@@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000737576432 578265416 /nfs/dbraw/zinc/26/54/16/578265416.db2.gz RDGCXIAAWQSVEG-CYBMUJFWSA-N -1 1 342.790 2.493 20 0 EEADMM Cn1ncc2c1CCC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737628098 578267459 /nfs/dbraw/zinc/26/74/59/578267459.db2.gz NQVXFLDWHSPRJX-SNVBAGLBSA-N -1 1 330.783 2.138 20 0 EEADMM Cn1ncc2c1CCC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737628098 578267460 /nfs/dbraw/zinc/26/74/60/578267460.db2.gz NQVXFLDWHSPRJX-SNVBAGLBSA-N -1 1 330.783 2.138 20 0 EEADMM FC(F)n1ccnc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737637706 578267982 /nfs/dbraw/zinc/26/79/82/578267982.db2.gz BUDITYMJKOAGNW-UHFFFAOYSA-N -1 1 343.301 2.014 20 0 EEADMM FC(F)n1ccnc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737637706 578267983 /nfs/dbraw/zinc/26/79/83/578267983.db2.gz BUDITYMJKOAGNW-UHFFFAOYSA-N -1 1 343.301 2.014 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737997374 578275771 /nfs/dbraw/zinc/27/57/71/578275771.db2.gz VAHRZILOWBOKPI-INIZCTEOSA-N -1 1 334.383 2.013 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737997374 578275772 /nfs/dbraw/zinc/27/57/72/578275772.db2.gz VAHRZILOWBOKPI-INIZCTEOSA-N -1 1 334.383 2.013 20 0 EEADMM FC(F)n1ccnc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000822737522 599501967 /nfs/dbraw/zinc/50/19/67/599501967.db2.gz YOJBRWMANKPVJG-UHFFFAOYSA-N -1 1 332.727 2.180 20 0 EEADMM FC(F)n1ccnc1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000822737522 599501970 /nfs/dbraw/zinc/50/19/70/599501970.db2.gz YOJBRWMANKPVJG-UHFFFAOYSA-N -1 1 332.727 2.180 20 0 EEADMM C[C@@H](NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000405360186 600307388 /nfs/dbraw/zinc/30/73/88/600307388.db2.gz NNULHPSFMGYGRG-IUODEOHRSA-N -1 1 334.391 2.190 20 0 EEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1[nH]nc2ccccc21 ZINC000236854253 600498653 /nfs/dbraw/zinc/49/86/53/600498653.db2.gz PUKZHKBGRUEPEA-GFCCVEGCSA-N -1 1 333.388 2.152 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1F ZINC000833164854 600735814 /nfs/dbraw/zinc/73/58/14/600735814.db2.gz CKVAYYSGGNODOZ-QGZVFWFLSA-N -1 1 340.358 2.381 20 0 EEADMM C[C@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000827796022 601001832 /nfs/dbraw/zinc/00/18/32/601001832.db2.gz JLKQSIKFXZQHPS-HZMBPMFUSA-N -1 1 347.242 2.118 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000827369203 601123198 /nfs/dbraw/zinc/12/31/98/601123198.db2.gz QVZVEKAFJKFBDZ-SNVBAGLBSA-N -1 1 343.786 2.492 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000827368544 601132380 /nfs/dbraw/zinc/13/23/80/601132380.db2.gz FVLJHSZHNPGVKE-SECBINFHSA-N -1 1 345.321 2.117 20 0 EEADMM CN(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1nc2ccccc2s1 ZINC000830485469 601175529 /nfs/dbraw/zinc/17/55/29/601175529.db2.gz HPWLSNICGSVBDG-INIZCTEOSA-N -1 1 333.413 2.102 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000828758492 601428034 /nfs/dbraw/zinc/42/80/34/601428034.db2.gz LGNWGGHUTCDYNH-LSDHHAIUSA-N -1 1 348.443 2.485 20 0 EEADMM Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)cc(C)c1OCC(=O)[O-] ZINC000832862301 601536912 /nfs/dbraw/zinc/53/69/12/601536912.db2.gz YRLBDPYGWOGSMA-MRXNPFEDSA-N -1 1 346.427 2.077 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824957628 607520708 /nfs/dbraw/zinc/52/07/08/607520708.db2.gz YFJMMOOFERGKHC-CYBMUJFWSA-N -1 1 335.415 2.497 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824957628 607520710 /nfs/dbraw/zinc/52/07/10/607520710.db2.gz YFJMMOOFERGKHC-CYBMUJFWSA-N -1 1 335.415 2.497 20 0 EEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000828355531 601801983 /nfs/dbraw/zinc/80/19/83/601801983.db2.gz YHWKTJPVWIAQKY-QLFBSQMISA-N -1 1 349.431 2.169 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccco1 ZINC000829666821 602064779 /nfs/dbraw/zinc/06/47/79/602064779.db2.gz SYBMWFQIUDCSBT-SUMWQHHRSA-N -1 1 337.420 2.169 20 0 EEADMM CCOc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c(C=O)c1 ZINC000825642906 607543416 /nfs/dbraw/zinc/54/34/16/607543416.db2.gz FDOJUUZNFABKKV-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM CCOc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c(C=O)c1 ZINC000825642906 607543417 /nfs/dbraw/zinc/54/34/17/607543417.db2.gz FDOJUUZNFABKKV-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3CCc4c[nH]nc4C3)c12 ZINC000833002992 602160458 /nfs/dbraw/zinc/16/04/58/602160458.db2.gz KJRKSEDOCHIXMM-SNVBAGLBSA-N -1 1 343.412 2.121 20 0 EEADMM c1ccc(O[C@@H]2CCOC2)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826522743 607552687 /nfs/dbraw/zinc/55/26/87/607552687.db2.gz MPLAZNMTCXHIMN-CYBMUJFWSA-N -1 1 338.371 2.042 20 0 EEADMM c1ccc(O[C@@H]2CCOC2)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826522743 607552688 /nfs/dbraw/zinc/55/26/88/607552688.db2.gz MPLAZNMTCXHIMN-CYBMUJFWSA-N -1 1 338.371 2.042 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000827005874 604433443 /nfs/dbraw/zinc/43/34/43/604433443.db2.gz GQHNSZRICMTERL-HNNXBMFYSA-N -1 1 349.362 2.166 20 0 EEADMM C[C@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000827469856 604482344 /nfs/dbraw/zinc/48/23/44/604482344.db2.gz JRXAVQKUDGTRRU-PBHICJAKSA-N -1 1 345.443 2.082 20 0 EEADMM CCC[C@@](C)(NCC(=O)NCCc1cccc2cccnc21)C(=O)[O-] ZINC000829194180 604789166 /nfs/dbraw/zinc/78/91/66/604789166.db2.gz YAJMKYOAZLMQQO-LJQANCHMSA-N -1 1 343.427 2.127 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCC(c2ccccc2)CC1 ZINC000833767369 604902324 /nfs/dbraw/zinc/90/23/24/604902324.db2.gz BAIGUNNNMTYXKN-DQPZFDDXSA-N -1 1 341.411 2.496 20 0 EEADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833685274 604916870 /nfs/dbraw/zinc/91/68/70/604916870.db2.gz JBLXDHXMKVWGFW-KGLIPLIRSA-N -1 1 335.404 2.149 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000392739147 604939683 /nfs/dbraw/zinc/93/96/83/604939683.db2.gz XHNWISINEJYORV-LBPRGKRZSA-N -1 1 348.399 2.177 20 0 EEADMM C[C@@H]1CN(C(=O)CCCN(C)C(=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC000833618596 605171435 /nfs/dbraw/zinc/17/14/35/605171435.db2.gz PBXRTVGNUXDOOB-HZPDHXFCSA-N -1 1 347.459 2.498 20 0 EEADMM C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)CCN1CCC(=O)[O-] ZINC000833618476 605276875 /nfs/dbraw/zinc/27/68/75/605276875.db2.gz OPDFNEOUUXLLQU-LVDDQXARSA-N -1 1 336.819 2.361 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000822609592 606164266 /nfs/dbraw/zinc/16/42/66/606164266.db2.gz RBMBEGMUQRUTAF-NSHDSACASA-N -1 1 346.439 2.280 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](C(C)(C)C)CC2)n1 ZINC000822609592 606164267 /nfs/dbraw/zinc/16/42/67/606164267.db2.gz RBMBEGMUQRUTAF-NSHDSACASA-N -1 1 346.439 2.280 20 0 EEADMM CC(C)Oc1ccccc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820178095 606165083 /nfs/dbraw/zinc/16/50/83/606165083.db2.gz HLGLRXMJHMGWEH-UHFFFAOYSA-N -1 1 342.363 2.031 20 0 EEADMM CC(C)Oc1ccccc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820178095 606165085 /nfs/dbraw/zinc/16/50/85/606165085.db2.gz HLGLRXMJHMGWEH-UHFFFAOYSA-N -1 1 342.363 2.031 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1cnn(Cc2ccncc2)c1 ZINC000823751198 606417062 /nfs/dbraw/zinc/41/70/62/606417062.db2.gz AQNILYFJJUDIOY-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM CN(C)C(=O)c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821580086 606451971 /nfs/dbraw/zinc/45/19/71/606451971.db2.gz YTKCCDLDTSXOMW-UHFFFAOYSA-N -1 1 344.762 2.409 20 0 EEADMM CN(C)C(=O)c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821580086 606451973 /nfs/dbraw/zinc/45/19/73/606451973.db2.gz YTKCCDLDTSXOMW-UHFFFAOYSA-N -1 1 344.762 2.409 20 0 EEADMM 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TYLBOGXUWNFRIL-GFCCVEGCSA-N -1 1 336.273 2.396 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825879700 607990737 /nfs/dbraw/zinc/99/07/37/607990737.db2.gz OTYGNGDHDIECFO-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825879700 607990738 /nfs/dbraw/zinc/99/07/38/607990738.db2.gz OTYGNGDHDIECFO-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM CC(C)Oc1cccnc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824334264 607997768 /nfs/dbraw/zinc/99/77/68/607997768.db2.gz TXFOYUFTHXJILF-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826508343 608185081 /nfs/dbraw/zinc/18/50/81/608185081.db2.gz NAKUKPGWMGCGSB-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826508343 608185082 /nfs/dbraw/zinc/18/50/82/608185082.db2.gz NAKUKPGWMGCGSB-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM COc1ccc2[nH]nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2c1 ZINC000826212116 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/nfs/dbraw/zinc/64/56/57/1331645657.db2.gz NOBWISQWCRWNER-ZDUSSCGKSA-N -1 1 349.412 2.252 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc([C@@H]3CCC(=O)N3)cc2)c[n-]1 ZINC001309874497 1331645661 /nfs/dbraw/zinc/64/56/61/1331645661.db2.gz NOBWISQWCRWNER-ZDUSSCGKSA-N -1 1 349.412 2.252 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)C1CCCC1 ZINC001608670577 1351738281 /nfs/dbraw/zinc/73/82/81/1351738281.db2.gz LHWPLDOGAYETLV-MRVPVSSYSA-N -1 1 347.487 2.069 20 0 EEADMM O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC001608819370 1351771154 /nfs/dbraw/zinc/77/11/54/1351771154.db2.gz ZNQJXHTWOAFTKS-MRVPVSSYSA-N -1 1 345.252 2.435 20 0 EEADMM O=C([O-])[C@H]1CCCN(CN2CC(c3ccc(Cl)cc3)=CC2=O)C1 ZINC001608819891 1351771371 /nfs/dbraw/zinc/77/13/71/1351771371.db2.gz NQTRECHHHXXUGN-ZDUSSCGKSA-N -1 1 334.803 2.320 20 0 EEADMM O=C([O-])c1cc(C[NH2+][C@H](C(=O)[O-])c2ccsc2)n2c1CCCC2 ZINC001608843105 1351776938 /nfs/dbraw/zinc/77/69/38/1351776938.db2.gz RVAJDJPMQAARCJ-AWEZNQCLSA-N -1 1 334.397 2.500 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)N[C@H](CC2CC2)c2ccccc2)on1 ZINC001608859856 1351780360 /nfs/dbraw/zinc/78/03/60/1351780360.db2.gz KZNLJPCAOUXGFY-GFCCVEGCSA-N -1 1 336.369 2.193 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)nc1 ZINC001608873303 1351783103 /nfs/dbraw/zinc/78/31/03/1351783103.db2.gz YDTAUFJGZYAXNW-OAHLLOKOSA-N -1 1 345.786 2.220 20 0 EEADMM COc1cc(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC001319280266 1332674656 /nfs/dbraw/zinc/67/46/56/1332674656.db2.gz MAMLFKJNLLWOGQ-UHFFFAOYSA-N -1 1 348.355 2.477 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCCCN2C(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001608919974 1351794270 /nfs/dbraw/zinc/79/42/70/1351794270.db2.gz IRTJZQKEKWCDJT-CYBMUJFWSA-N -1 1 340.383 2.292 20 0 EEADMM O=C([O-])c1cccc(OCC[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001608937420 1351798526 /nfs/dbraw/zinc/79/85/26/1351798526.db2.gz WAVDLQWGEBAVTF-KRWDZBQOSA-N -1 1 341.363 2.448 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C(=O)c1c(O)cccc1F)C2 ZINC001608942719 1351799612 /nfs/dbraw/zinc/79/96/12/1351799612.db2.gz RBBOOPDWYYERPF-UHFFFAOYSA-N -1 1 331.299 2.264 20 0 EEADMM Cn1ncc2cc(S(=O)(=O)[N-]c3cc(CC(C)(C)C)n[nH]3)cnc21 ZINC001320445478 1332885365 /nfs/dbraw/zinc/88/53/65/1332885365.db2.gz DRJROGGZELEOPW-UHFFFAOYSA-N -1 1 348.432 2.081 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609060577 1351827605 /nfs/dbraw/zinc/82/76/05/1351827605.db2.gz RELTXWMEHNYUFM-JLHYYAGUSA-N -1 1 334.383 2.437 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609060577 1351827610 /nfs/dbraw/zinc/82/76/10/1351827610.db2.gz RELTXWMEHNYUFM-JLHYYAGUSA-N -1 1 334.383 2.437 20 0 EEADMM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609075285 1351832106 /nfs/dbraw/zinc/83/21/06/1351832106.db2.gz HNBPATVPWVLPHB-UHFFFAOYSA-N -1 1 342.325 2.312 20 0 EEADMM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609075285 1351832111 /nfs/dbraw/zinc/83/21/11/1351832111.db2.gz HNBPATVPWVLPHB-UHFFFAOYSA-N -1 1 342.325 2.312 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCn2ccnc2-c2nnn[n-]2)C1 ZINC001609077787 1351833061 /nfs/dbraw/zinc/83/30/61/1351833061.db2.gz FVOFNZPHURITSO-LBPRGKRZSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCn2ccnc2-c2nn[n-]n2)C1 ZINC001609077787 1351833064 /nfs/dbraw/zinc/83/30/64/1351833064.db2.gz FVOFNZPHURITSO-LBPRGKRZSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)Cn1ncc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C1CC1 ZINC001609097154 1351841694 /nfs/dbraw/zinc/84/16/94/1351841694.db2.gz DQDCXCKCYMVIFT-UHFFFAOYSA-N -1 1 341.375 2.442 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC001609168332 1351874145 /nfs/dbraw/zinc/87/41/45/1351874145.db2.gz YCFIJNPZXQYLPJ-BXUZGUMPSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC001609168332 1351874149 /nfs/dbraw/zinc/87/41/49/1351874149.db2.gz YCFIJNPZXQYLPJ-BXUZGUMPSA-N -1 1 338.371 2.468 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C[C@@H]1OC ZINC001609197378 1351886121 /nfs/dbraw/zinc/88/61/21/1351886121.db2.gz ZIEHXYZIRIOQJJ-STQMWFEESA-N -1 1 333.392 2.092 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C[C@@H]1OC ZINC001609197378 1351886124 /nfs/dbraw/zinc/88/61/24/1351886124.db2.gz ZIEHXYZIRIOQJJ-STQMWFEESA-N -1 1 333.392 2.092 20 0 EEADMM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)ccc1N1CCN(C)CC1 ZINC001326434709 1334093328 /nfs/dbraw/zinc/09/33/28/1334093328.db2.gz MNGMJRHBYIMIKX-MRXNPFEDSA-N -1 1 333.432 2.042 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2ncncc2-c2nn[n-]n2)cc1 ZINC001609354343 1351944191 /nfs/dbraw/zinc/94/41/91/1351944191.db2.gz APPMUKWXLXEXOW-NSHDSACASA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)nc1 ZINC001609355889 1351945370 /nfs/dbraw/zinc/94/53/70/1351945370.db2.gz VZJDTHCKCQGOGH-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)nc1 ZINC001609355889 1351945373 /nfs/dbraw/zinc/94/53/73/1351945373.db2.gz VZJDTHCKCQGOGH-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC001609351806 1351942907 /nfs/dbraw/zinc/94/29/07/1351942907.db2.gz OLOMJBYZZYNIHR-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC001609351806 1351942909 /nfs/dbraw/zinc/94/29/09/1351942909.db2.gz OLOMJBYZZYNIHR-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001609362301 1351947347 /nfs/dbraw/zinc/94/73/47/1351947347.db2.gz HPUXIPDMELFKHT-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001609362301 1351947348 /nfs/dbraw/zinc/94/73/48/1351947348.db2.gz HPUXIPDMELFKHT-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCOc2ccccc2C)n1 ZINC001609392569 1351957517 /nfs/dbraw/zinc/95/75/17/1351957517.db2.gz VSNYMBLKMWLIOS-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCOc2ccccc2C)n1 ZINC001609392569 1351957519 /nfs/dbraw/zinc/95/75/19/1351957519.db2.gz VSNYMBLKMWLIOS-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1cc(N2CCOC3(C2)CCCCCC3)cc(-c2nnn[n-]2)n1 ZINC001609405582 1351963397 /nfs/dbraw/zinc/96/33/97/1351963397.db2.gz QDGWYDKDRDBLCY-UHFFFAOYSA-N -1 1 328.420 2.500 20 0 EEADMM Cc1cc(N2CCOC3(C2)CCCCCC3)cc(-c2nn[n-]n2)n1 ZINC001609405582 1351963399 /nfs/dbraw/zinc/96/33/99/1351963399.db2.gz QDGWYDKDRDBLCY-UHFFFAOYSA-N -1 1 328.420 2.500 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609414008 1351966553 /nfs/dbraw/zinc/96/65/53/1351966553.db2.gz JMWVHWPAGRJAOU-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609414008 1351966556 /nfs/dbraw/zinc/96/65/56/1351966556.db2.gz JMWVHWPAGRJAOU-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1nsc(NC(=O)C[C@H](C)c2cccnc2)c1-c1nnn[n-]1 ZINC001609465707 1351987890 /nfs/dbraw/zinc/98/78/90/1351987890.db2.gz YQSLRLWQNQLLBN-QMMMGPOBSA-N -1 1 329.389 2.159 20 0 EEADMM Cc1nsc(NC(=O)C[C@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC001609465707 1351987891 /nfs/dbraw/zinc/98/78/91/1351987891.db2.gz YQSLRLWQNQLLBN-QMMMGPOBSA-N -1 1 329.389 2.159 20 0 EEADMM Cc1nsc(NCCCc2nc(C(C)C)no2)c1-c1nn[n-]n1 ZINC001609466112 1351987996 /nfs/dbraw/zinc/98/79/96/1351987996.db2.gz DFYYBIQNXJUHSI-UHFFFAOYSA-N -1 1 334.409 2.183 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(Cl)c1F ZINC001609467851 1351988839 /nfs/dbraw/zinc/98/88/39/1351988839.db2.gz VRIGCZVIDMULKC-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(Cl)c1F ZINC001609467851 1351988840 /nfs/dbraw/zinc/98/88/40/1351988840.db2.gz VRIGCZVIDMULKC-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCc2ccccc2CC1 ZINC001609466842 1351988842 /nfs/dbraw/zinc/98/88/42/1351988842.db2.gz LYHSKOXITDLBPX-UHFFFAOYSA-N -1 1 337.383 2.399 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCc2ccccc2CC1 ZINC001609466842 1351988843 /nfs/dbraw/zinc/98/88/43/1351988843.db2.gz LYHSKOXITDLBPX-UHFFFAOYSA-N -1 1 337.383 2.399 20 0 EEADMM Clc1nc(N2CCC(n3cccn3)CC2)sc1-c1nnn[n-]1 ZINC001609474753 1351991947 /nfs/dbraw/zinc/99/19/47/1351991947.db2.gz QRGUGFHLUXXHMZ-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM Clc1nc(N2CCC(n3cccn3)CC2)sc1-c1nn[n-]n1 ZINC001609474753 1351991951 /nfs/dbraw/zinc/99/19/51/1351991951.db2.gz QRGUGFHLUXXHMZ-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM FC(F)(F)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001609484820 1351993812 /nfs/dbraw/zinc/99/38/12/1351993812.db2.gz PVERGBSWODYDRW-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM Fc1ccc(Br)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609490338 1351995896 /nfs/dbraw/zinc/99/58/96/1351995896.db2.gz PDDAIHMTOOPKNZ-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1ccc(Br)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609490338 1351995900 /nfs/dbraw/zinc/99/59/00/1351995900.db2.gz PDDAIHMTOOPKNZ-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1ccccc1N1CCC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001609492610 1351998072 /nfs/dbraw/zinc/99/80/72/1351998072.db2.gz OSVJWSXOVGPAOH-LBPRGKRZSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1ccccc1N1CCC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001609492610 1351998074 /nfs/dbraw/zinc/99/80/74/1351998074.db2.gz OSVJWSXOVGPAOH-LBPRGKRZSA-N -1 1 339.378 2.482 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC001609573899 1352021220 /nfs/dbraw/zinc/02/12/20/1352021220.db2.gz WAJFMJSAARWPJP-UHFFFAOYSA-N -1 1 332.335 2.312 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC001609573899 1352021225 /nfs/dbraw/zinc/02/12/25/1352021225.db2.gz WAJFMJSAARWPJP-UHFFFAOYSA-N -1 1 332.335 2.312 20 0 EEADMM CC(C)(C)c1noc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001609672076 1352055108 /nfs/dbraw/zinc/05/51/08/1352055108.db2.gz JCXFWQHPXKTRGU-UONOGXRCSA-N -1 1 345.399 2.373 20 0 EEADMM CC(C)(C)c1noc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001609672076 1352055113 /nfs/dbraw/zinc/05/51/13/1352055113.db2.gz JCXFWQHPXKTRGU-UONOGXRCSA-N -1 1 345.399 2.373 20 0 EEADMM C[C@]1(c2ccccc2)CCN(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC001609824760 1352094365 /nfs/dbraw/zinc/09/43/65/1352094365.db2.gz JERXNJPOOLJAOB-VQIMIIECSA-N -1 1 342.439 2.321 20 0 EEADMM C[C@@]1(c2ccccc2)CC(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001609825839 1352094954 /nfs/dbraw/zinc/09/49/54/1352094954.db2.gz ZZICLDCLLVHIJH-QFBILLFUSA-N -1 1 342.439 2.321 20 0 EEADMM COC[C@H]1CCCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001339802762 1337075339 /nfs/dbraw/zinc/07/53/39/1337075339.db2.gz SMZVGONAFGPINZ-JTQLQIEISA-N -1 1 337.811 2.099 20 0 EEADMM CC[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H](CC)O1 ZINC001609945220 1352126583 /nfs/dbraw/zinc/12/65/83/1352126583.db2.gz CCLXPZFEKGNVTO-ARFHVFGLSA-N -1 1 337.416 2.014 20 0 EEADMM Cc1cccnc1NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847165144 1337886439 /nfs/dbraw/zinc/88/64/39/1337886439.db2.gz GTFMIIXNKRDETB-GHMZBOCLSA-N -1 1 344.337 2.453 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@H](c3cccc(C)c3)C2)n1 ZINC001610196489 1352183534 /nfs/dbraw/zinc/18/35/34/1352183534.db2.gz ZQNVSPLMRUJLIP-AWEZNQCLSA-N -1 1 343.383 2.123 20 0 EEADMM C[C@H](Cc1c[nH]cn1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000847880017 1338353291 /nfs/dbraw/zinc/35/32/91/1338353291.db2.gz BSKOGADUMAZBQY-SSDOTTSWSA-N -1 1 325.166 2.090 20 0 EEADMM COc1ccc([C@H](NCc2n[nH]c(C(C)(C)C)n2)C(=O)[O-])c(OC)c1 ZINC001610324019 1352205599 /nfs/dbraw/zinc/20/55/99/1352205599.db2.gz UBFFBLMARMWZRH-AWEZNQCLSA-N -1 1 348.403 2.035 20 0 EEADMM CCCc1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)[nH]n1 ZINC000848342556 1338684890 /nfs/dbraw/zinc/68/48/90/1338684890.db2.gz SNMSMMWRZBDNCE-MWLCHTKSSA-N -1 1 346.353 2.034 20 0 EEADMM C[C@@H]1C[N@@H+](CN2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC001610392645 1352215194 /nfs/dbraw/zinc/21/51/94/1352215194.db2.gz ZDGDRYYFLWTDIV-BXUZGUMPSA-N -1 1 337.807 2.192 20 0 EEADMM C[C@@H]1CN(CN2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1C(=O)[O-] ZINC001610392645 1352215197 /nfs/dbraw/zinc/21/51/97/1352215197.db2.gz ZDGDRYYFLWTDIV-BXUZGUMPSA-N -1 1 337.807 2.192 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001610455875 1352225492 /nfs/dbraw/zinc/22/54/92/1352225492.db2.gz WXLVVKZBWGORQT-INIZCTEOSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cc(C)cc([C@H](NCc2cc(=O)n3ccsc3n2)C(=O)[O-])c1 ZINC001610456689 1352225526 /nfs/dbraw/zinc/22/55/26/1352225526.db2.gz YPEVWOVJKRXCRT-HNNXBMFYSA-N -1 1 343.408 2.288 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@](C)(O)CC1 ZINC001610486429 1352231151 /nfs/dbraw/zinc/23/11/51/1352231151.db2.gz HUDOWUPPIKBRRZ-SCLBCKFNSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)c(=O)c2c1 ZINC001610517025 1352237128 /nfs/dbraw/zinc/23/71/28/1352237128.db2.gz YPQXOUBWMZRYTB-SFHVURJKSA-N -1 1 328.368 2.163 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001610588253 1352249915 /nfs/dbraw/zinc/24/99/15/1352249915.db2.gz XLLAPWJZYVZDOW-UHFFFAOYSA-N -1 1 345.399 2.019 20 0 EEADMM Cc1sc(NC(=O)CN2CCN(C)[C@H](C)[C@@H]2C)c(C(=O)[O-])c1C ZINC001610592117 1352250614 /nfs/dbraw/zinc/25/06/14/1352250614.db2.gz RUWONVBWVDBDJX-MNOVXSKESA-N -1 1 339.461 2.026 20 0 EEADMM Cn1nccc1[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC001610616050 1352254602 /nfs/dbraw/zinc/25/46/02/1352254602.db2.gz RMIBYOYLFGMDHB-MRXNPFEDSA-N -1 1 329.400 2.439 20 0 EEADMM O=C([O-])C1=NOC2(C1)CCN(Cc1ccc(C(F)(F)F)cn1)CC2 ZINC001610732262 1352266191 /nfs/dbraw/zinc/26/61/91/1352266191.db2.gz VPSUTGXUKVJKPD-UHFFFAOYSA-N -1 1 343.305 2.296 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccccc1 ZINC001429016127 1339768255 /nfs/dbraw/zinc/76/82/55/1339768255.db2.gz WLWRGKLRAKMBKC-KGLIPLIRSA-N -1 1 341.411 2.216 20 0 EEADMM O=C([O-])c1cccc(Br)c1COCCc1c[nH]nn1 ZINC001610843736 1352284085 /nfs/dbraw/zinc/28/40/85/1352284085.db2.gz HEKVDPYDSXCASD-UHFFFAOYSA-N -1 1 326.150 2.025 20 0 EEADMM COC(=O)COc1ccc(NC(=O)c2c([O-])cccc2OC)cc1 ZINC001433609084 1341637185 /nfs/dbraw/zinc/63/71/85/1341637185.db2.gz IXCRCUBPUZJQSR-UHFFFAOYSA-N -1 1 331.324 2.205 20 0 EEADMM COC(=O)c1ccc(OC(C)C)c(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC001433625522 1341641528 /nfs/dbraw/zinc/64/15/28/1341641528.db2.gz HVHJSHUDMQCSIT-UHFFFAOYSA-N -1 1 333.344 2.250 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCCC12CCOCC2 ZINC001553608730 1342353834 /nfs/dbraw/zinc/35/38/34/1342353834.db2.gz BPECOTUMIFHPOO-LSDHHAIUSA-N -1 1 341.415 2.002 20 0 EEADMM O=c1nc(N[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC001553850181 1342375059 /nfs/dbraw/zinc/37/50/59/1342375059.db2.gz IVRBZLANXUBSJV-QWHCGFSZSA-N -1 1 345.790 2.418 20 0 EEADMM O=S(=O)([N-]C1(c2nccs2)CCCC1)c1c[nH]nc1Cl ZINC000830539335 1372333359 /nfs/dbraw/zinc/33/33/59/1372333359.db2.gz FDIPLMUNDVSEAP-UHFFFAOYSA-N -1 1 332.838 2.267 20 0 EEADMM CCNc1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001578241493 1344254144 /nfs/dbraw/zinc/25/41/44/1344254144.db2.gz YEUABCAHCRDYIB-UHFFFAOYSA-N -1 1 345.313 2.224 20 0 EEADMM CCNc1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001578241493 1344254148 /nfs/dbraw/zinc/25/41/48/1344254148.db2.gz YEUABCAHCRDYIB-UHFFFAOYSA-N -1 1 345.313 2.224 20 0 EEADMM COc1ccc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001579997532 1344446375 /nfs/dbraw/zinc/44/63/75/1344446375.db2.gz QJROWLBNWXFZNJ-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001580015099 1344447672 /nfs/dbraw/zinc/44/76/72/1344447672.db2.gz WKRAWUKFCJKLCZ-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001580015099 1344447677 /nfs/dbraw/zinc/44/76/77/1344447677.db2.gz WKRAWUKFCJKLCZ-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ncc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC001580134899 1344479121 /nfs/dbraw/zinc/47/91/21/1344479121.db2.gz PRUAAIAQFUOQNL-GWCFXTLKSA-N -1 1 343.391 2.067 20 0 EEADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)ccc1Cl ZINC001580870989 1344566625 /nfs/dbraw/zinc/56/66/25/1344566625.db2.gz WPLDQJYRKQOYBT-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)ccc1Cl ZINC001580870989 1344566626 /nfs/dbraw/zinc/56/66/26/1344566626.db2.gz WPLDQJYRKQOYBT-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1nnc(Sc2ccc(-c3nnn[n-]3)nn2)n1C1CCCCC1 ZINC001581611844 1344644125 /nfs/dbraw/zinc/64/41/25/1344644125.db2.gz GTQKIPKITDELMC-UHFFFAOYSA-N -1 1 343.420 2.213 20 0 EEADMM Cc1nnc(Sc2ccc(-c3nn[n-]n3)nn2)n1C1CCCCC1 ZINC001581611844 1344644130 /nfs/dbraw/zinc/64/41/30/1344644130.db2.gz GTQKIPKITDELMC-UHFFFAOYSA-N -1 1 343.420 2.213 20 0 EEADMM Cc1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581612011 1344644193 /nfs/dbraw/zinc/64/41/93/1344644193.db2.gz GNVSAFHJXOFQQN-NSHDSACASA-N -1 1 342.407 2.034 20 0 EEADMM Cc1nnc(N2CCCC[C@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581612011 1344644200 /nfs/dbraw/zinc/64/42/00/1344644200.db2.gz GNVSAFHJXOFQQN-NSHDSACASA-N -1 1 342.407 2.034 20 0 EEADMM O=C(CCCC1CCOCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582040854 1344694246 /nfs/dbraw/zinc/69/42/46/1344694246.db2.gz KMZIQMRUVHAGOH-UHFFFAOYSA-N -1 1 335.433 2.141 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001582263601 1344721333 /nfs/dbraw/zinc/72/13/33/1344721333.db2.gz YPIADSYUMWQQMC-XHDPSFHLSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001582263601 1344721337 /nfs/dbraw/zinc/72/13/37/1344721337.db2.gz YPIADSYUMWQQMC-XHDPSFHLSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582472164 1344753046 /nfs/dbraw/zinc/75/30/46/1344753046.db2.gz NESAHPUTQSHNPT-LBPRGKRZSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582472164 1344753050 /nfs/dbraw/zinc/75/30/50/1344753050.db2.gz NESAHPUTQSHNPT-LBPRGKRZSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)[C@]12C[C@H]1CCC2 ZINC001582639214 1344774865 /nfs/dbraw/zinc/77/48/65/1344774865.db2.gz GFFRJJCNFDFYIL-FUXBKTLASA-N -1 1 349.192 2.153 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)[C@]12C[C@H]1CCC2 ZINC001582639214 1344774868 /nfs/dbraw/zinc/77/48/68/1344774868.db2.gz GFFRJJCNFDFYIL-FUXBKTLASA-N -1 1 349.192 2.153 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001588791905 1348937158 /nfs/dbraw/zinc/93/71/58/1348937158.db2.gz HZBJWTWHKLZMHI-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001588791905 1348937162 /nfs/dbraw/zinc/93/71/62/1348937162.db2.gz HZBJWTWHKLZMHI-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(C)(C)c1nnc(NC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001589247505 1348974941 /nfs/dbraw/zinc/97/49/41/1348974941.db2.gz NECFRGDTJFYDLU-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589504237 1348998600 /nfs/dbraw/zinc/99/86/00/1348998600.db2.gz UWFYMJMLSIFXIM-UONOGXRCSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589504237 1348998602 /nfs/dbraw/zinc/99/86/02/1348998602.db2.gz UWFYMJMLSIFXIM-UONOGXRCSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)OC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCC1 ZINC001589736866 1349025298 /nfs/dbraw/zinc/02/52/98/1349025298.db2.gz CYYCKENHLAQIAH-UHFFFAOYSA-N -1 1 329.408 2.294 20 0 EEADMM CC(C)OC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCC1 ZINC001589736866 1349025305 /nfs/dbraw/zinc/02/53/05/1349025305.db2.gz CYYCKENHLAQIAH-UHFFFAOYSA-N -1 1 329.408 2.294 20 0 EEADMM CC(C)OCCCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589747592 1349028057 /nfs/dbraw/zinc/02/80/57/1349028057.db2.gz CTLBDRIHPJDDSP-UHFFFAOYSA-N -1 1 342.403 2.283 20 0 EEADMM CC(C)[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001589765939 1349033654 /nfs/dbraw/zinc/03/36/54/1349033654.db2.gz QJDPZSNOBMTYAL-HNNXBMFYSA-N -1 1 334.387 2.369 20 0 EEADMM CC(C)[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001589765939 1349033659 /nfs/dbraw/zinc/03/36/59/1349033659.db2.gz QJDPZSNOBMTYAL-HNNXBMFYSA-N -1 1 334.387 2.369 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2c2ccnc(-c3nnn[n-]3)c2)no1 ZINC001589775823 1349035962 /nfs/dbraw/zinc/03/59/62/1349035962.db2.gz RAMKKRHJBZSQGC-ZDUSSCGKSA-N -1 1 340.391 2.500 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)c2)no1 ZINC001589775823 1349035963 /nfs/dbraw/zinc/03/59/63/1349035963.db2.gz RAMKKRHJBZSQGC-ZDUSSCGKSA-N -1 1 340.391 2.500 20 0 EEADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589795189 1349045152 /nfs/dbraw/zinc/04/51/52/1349045152.db2.gz KXHCRNBEZJBVBF-QMMMGPOBSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589795189 1349045159 /nfs/dbraw/zinc/04/51/59/1349045159.db2.gz KXHCRNBEZJBVBF-QMMMGPOBSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC001589985676 1349094057 /nfs/dbraw/zinc/09/40/57/1349094057.db2.gz PSRXJXYWKZECRR-ZDUSSCGKSA-N -1 1 335.415 2.457 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC001589985676 1349094060 /nfs/dbraw/zinc/09/40/60/1349094060.db2.gz PSRXJXYWKZECRR-ZDUSSCGKSA-N -1 1 335.415 2.457 20 0 EEADMM C[C@H](O)[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001589998748 1349100433 /nfs/dbraw/zinc/10/04/33/1349100433.db2.gz YYBYKKHPPLYMPJ-BONVTDFDSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](O)[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001589998748 1349100440 /nfs/dbraw/zinc/10/04/40/1349100440.db2.gz YYBYKKHPPLYMPJ-BONVTDFDSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@]1(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1(Cl)Cl ZINC001590123574 1349163856 /nfs/dbraw/zinc/16/38/56/1349163856.db2.gz QTVUOJUSNVQIFJ-LLVKDONJSA-N -1 1 327.175 2.174 20 0 EEADMM C[C@@]1(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1(Cl)Cl ZINC001590123574 1349163862 /nfs/dbraw/zinc/16/38/62/1349163862.db2.gz QTVUOJUSNVQIFJ-LLVKDONJSA-N -1 1 327.175 2.174 20 0 EEADMM C[C@]1(F)CCCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590141584 1349172690 /nfs/dbraw/zinc/17/26/90/1349172690.db2.gz KFUPLNQMNAYGRS-AWEZNQCLSA-N -1 1 325.294 2.109 20 0 EEADMM C[C@]1(F)CCCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590141584 1349172697 /nfs/dbraw/zinc/17/26/97/1349172697.db2.gz KFUPLNQMNAYGRS-AWEZNQCLSA-N -1 1 325.294 2.109 20 0 EEADMM C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001590150680 1349175783 /nfs/dbraw/zinc/17/57/83/1349175783.db2.gz LMBLZVUJBCUPMA-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@]1(O)CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001590150680 1349175791 /nfs/dbraw/zinc/17/57/91/1349175791.db2.gz LMBLZVUJBCUPMA-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@@H]1C ZINC001590222083 1349208731 /nfs/dbraw/zinc/20/87/31/1349208731.db2.gz FNLCRSCYRZJQFT-YWVKMMECSA-N -1 1 329.408 2.478 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590268490 1349241031 /nfs/dbraw/zinc/24/10/31/1349241031.db2.gz CIGHABSESSILMI-GFCCVEGCSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590268490 1349241039 /nfs/dbraw/zinc/24/10/39/1349241039.db2.gz CIGHABSESSILMI-GFCCVEGCSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@H]1c2ccccc2OCCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590337525 1349272594 /nfs/dbraw/zinc/27/25/94/1349272594.db2.gz KNFDMNZCZIIFGZ-JTQLQIEISA-N -1 1 325.328 2.056 20 0 EEADMM C[C@H]1c2ccccc2OCCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590337525 1349272600 /nfs/dbraw/zinc/27/26/00/1349272600.db2.gz KNFDMNZCZIIFGZ-JTQLQIEISA-N -1 1 325.328 2.056 20 0 EEADMM CCC(C)(C)c1ccccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001590380019 1349292317 /nfs/dbraw/zinc/29/23/17/1349292317.db2.gz MEWASEHMMOFXSB-UHFFFAOYSA-N -1 1 325.376 2.022 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590417301 1349313967 /nfs/dbraw/zinc/31/39/67/1349313967.db2.gz ZNLPCCQILLUCHP-SNVBAGLBSA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590417301 1349313969 /nfs/dbraw/zinc/31/39/69/1349313969.db2.gz ZNLPCCQILLUCHP-SNVBAGLBSA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001590416007 1349314255 /nfs/dbraw/zinc/31/42/55/1349314255.db2.gz FQOFGYSANCMJHN-VIFPVBQESA-N -1 1 341.375 2.328 20 0 EEADMM CCCC(=O)Nc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001590538281 1349366420 /nfs/dbraw/zinc/36/64/20/1349366420.db2.gz CXQLCHUPNXIMDJ-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCC[C@@H](CCO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590558023 1349371286 /nfs/dbraw/zinc/37/12/86/1349371286.db2.gz WYHZQRYJVFQSAM-VIFPVBQESA-N -1 1 330.314 2.244 20 0 EEADMM CCC[C@@H](CCO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590558023 1349371289 /nfs/dbraw/zinc/37/12/89/1349371289.db2.gz WYHZQRYJVFQSAM-VIFPVBQESA-N -1 1 330.314 2.244 20 0 EEADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590623652 1349378907 /nfs/dbraw/zinc/37/89/07/1349378907.db2.gz JVVJBNCHDCPUSU-LBPRGKRZSA-N -1 1 333.392 2.189 20 0 EEADMM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590623652 1349378915 /nfs/dbraw/zinc/37/89/15/1349378915.db2.gz JVVJBNCHDCPUSU-LBPRGKRZSA-N -1 1 333.392 2.189 20 0 EEADMM CCc1nc(N[C@H]2C[C@H](Oc3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001590923510 1349414773 /nfs/dbraw/zinc/41/47/73/1349414773.db2.gz QZYNAXLKMQVMJJ-AULYBMBSSA-N -1 1 337.387 2.241 20 0 EEADMM CCc1nc(N[C@H]2C[C@H](Oc3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001590923510 1349414785 /nfs/dbraw/zinc/41/47/85/1349414785.db2.gz QZYNAXLKMQVMJJ-AULYBMBSSA-N -1 1 337.387 2.241 20 0 EEADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1Cl ZINC001590994929 1349428264 /nfs/dbraw/zinc/42/82/64/1349428264.db2.gz JZUKZKPDWKSLFX-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1Cl ZINC001590994929 1349428266 /nfs/dbraw/zinc/42/82/66/1349428266.db2.gz JZUKZKPDWKSLFX-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@H]2C)c1-c1nn[n-]n1 ZINC001591716883 1349534148 /nfs/dbraw/zinc/53/41/48/1349534148.db2.gz DHZIBBHDNBBHFM-KCJUWKMLSA-N -1 1 344.444 2.389 20 0 EEADMM Cc1ccc2c(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)csc2c1 ZINC001592200381 1349607670 /nfs/dbraw/zinc/60/76/70/1349607670.db2.gz PXTJLCFFKQZESU-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1ccc2c(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)csc2c1 ZINC001592200381 1349607677 /nfs/dbraw/zinc/60/76/77/1349607677.db2.gz PXTJLCFFKQZESU-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1nsc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001592487002 1349636346 /nfs/dbraw/zinc/63/63/46/1349636346.db2.gz XHCPMSUUZXZSKM-NWDGAFQWSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1nsc(NC(=O)c2ncccc2OC(C)C)c1-c1nnn[n-]1 ZINC001592482759 1349636793 /nfs/dbraw/zinc/63/67/93/1349636793.db2.gz VYQMZGOCUKQDDS-UHFFFAOYSA-N -1 1 345.388 2.066 20 0 EEADMM Cc1nsc(NC(=O)c2ncccc2OC(C)C)c1-c1nn[n-]n1 ZINC001592482759 1349636797 /nfs/dbraw/zinc/63/67/97/1349636797.db2.gz VYQMZGOCUKQDDS-UHFFFAOYSA-N -1 1 345.388 2.066 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cc(F)ccc1F ZINC001592501739 1349638072 /nfs/dbraw/zinc/63/80/72/1349638072.db2.gz RSGHWDSGAVBNLF-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cc(F)ccc1F ZINC001592501739 1349638073 /nfs/dbraw/zinc/63/80/73/1349638073.db2.gz RSGHWDSGAVBNLF-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001592527685 1349647817 /nfs/dbraw/zinc/64/78/17/1349647817.db2.gz GMDVKFUKBWIEPH-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001592527685 1349647820 /nfs/dbraw/zinc/64/78/20/1349647820.db2.gz GMDVKFUKBWIEPH-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1sc(NC2([C@H]3CCCO3)CCC2)nc1-c1nn[n-]n1 ZINC001592543030 1349653977 /nfs/dbraw/zinc/65/39/77/1349653977.db2.gz KQUIWFBGVBUEQW-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM FC(F)(F)[C@@H]1CC[C@@H](CCNc2cccnc2-c2nnn[n-]2)O1 ZINC001592613219 1349669545 /nfs/dbraw/zinc/66/95/45/1349669545.db2.gz BMKTUBQGVNTQNU-WPRPVWTQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CC[C@@H](CCNc2cccnc2-c2nn[n-]n2)O1 ZINC001592613219 1349669549 /nfs/dbraw/zinc/66/95/49/1349669549.db2.gz BMKTUBQGVNTQNU-WPRPVWTQSA-N -1 1 328.298 2.174 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001592647505 1349693301 /nfs/dbraw/zinc/69/33/01/1349693301.db2.gz RURGJYXWEPIZJA-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592647505 1349693310 /nfs/dbraw/zinc/69/33/10/1349693310.db2.gz RURGJYXWEPIZJA-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc2oc(CNCc3nc(-c4nnn[n-]4)cs3)cc2c1 ZINC001592654155 1349698398 /nfs/dbraw/zinc/69/83/98/1349698398.db2.gz DMUOGGLCXLYHJU-UHFFFAOYSA-N -1 1 330.348 2.498 20 0 EEADMM Fc1ccc2oc(CNCc3nc(-c4nn[n-]n4)cs3)cc2c1 ZINC001592654155 1349698401 /nfs/dbraw/zinc/69/84/01/1349698401.db2.gz DMUOGGLCXLYHJU-UHFFFAOYSA-N -1 1 330.348 2.498 20 0 EEADMM O=C(Cc1coc2ccccc12)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592933044 1349728563 /nfs/dbraw/zinc/72/85/63/1349728563.db2.gz VCBXSWZQWPXONZ-UHFFFAOYSA-N -1 1 349.354 2.395 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592954680 1349729363 /nfs/dbraw/zinc/72/93/63/1349729363.db2.gz FGWBWFWXWZUAQL-HIFRSBDPSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592954680 1349729364 /nfs/dbraw/zinc/72/93/64/1349729364.db2.gz FGWBWFWXWZUAQL-HIFRSBDPSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCc2cc(F)ccc21 ZINC001593137511 1349740070 /nfs/dbraw/zinc/74/00/70/1349740070.db2.gz GRXJHWZMOBUHMC-ZDUSSCGKSA-N -1 1 343.387 2.414 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCCCC1(F)F ZINC001593195445 1349745259 /nfs/dbraw/zinc/74/52/59/1349745259.db2.gz CJFVHYDIEXSJHO-QMMMGPOBSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593255024 1349751547 /nfs/dbraw/zinc/75/15/47/1349751547.db2.gz BPMRNGRBVLXZOK-CJNGLKHVSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001593255024 1349751552 /nfs/dbraw/zinc/75/15/52/1349751552.db2.gz BPMRNGRBVLXZOK-CJNGLKHVSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001593281540 1349760993 /nfs/dbraw/zinc/76/09/93/1349760993.db2.gz JDFZKCGZZNRZMI-RCOVLWMOSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593281540 1349760997 /nfs/dbraw/zinc/76/09/97/1349760997.db2.gz JDFZKCGZZNRZMI-RCOVLWMOSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCCCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593283769 1349762062 /nfs/dbraw/zinc/76/20/62/1349762062.db2.gz IKEYDGLNPHQMFB-ZDUSSCGKSA-N -1 1 343.387 2.300 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCCCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593283769 1349762064 /nfs/dbraw/zinc/76/20/64/1349762064.db2.gz IKEYDGLNPHQMFB-ZDUSSCGKSA-N -1 1 343.387 2.300 20 0 EEADMM O=C(OCCN1CCCc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593289830 1349765801 /nfs/dbraw/zinc/76/58/01/1349765801.db2.gz BQIOGHCKVOMPBV-UHFFFAOYSA-N -1 1 339.355 2.069 20 0 EEADMM O=C(OCCN1CCCc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593289830 1349765806 /nfs/dbraw/zinc/76/58/06/1349765806.db2.gz BQIOGHCKVOMPBV-UHFFFAOYSA-N -1 1 339.355 2.069 20 0 EEADMM O=C(OCc1cccc(-c2nn[nH]n2)c1)c1c([O-])cc(F)cc1F ZINC001593299957 1349773175 /nfs/dbraw/zinc/77/31/75/1349773175.db2.gz IQAQNQWTIXRVGR-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1 ZINC001593301653 1349774105 /nfs/dbraw/zinc/77/41/05/1349774105.db2.gz MZKVBVXUWPMIDQ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1 ZINC001593301653 1349774110 /nfs/dbraw/zinc/77/41/10/1349774110.db2.gz MZKVBVXUWPMIDQ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccccc1OC1CC1 ZINC001593302050 1349774494 /nfs/dbraw/zinc/77/44/94/1349774494.db2.gz UNBGRAZDPFOIAH-UHFFFAOYSA-N -1 1 337.339 2.160 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccccc1OC1CC1 ZINC001593302050 1349774497 /nfs/dbraw/zinc/77/44/97/1349774497.db2.gz UNBGRAZDPFOIAH-UHFFFAOYSA-N -1 1 337.339 2.160 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593336815 1349783270 /nfs/dbraw/zinc/78/32/70/1349783270.db2.gz DIIPVQJVEYBPHN-OAHLLOKOSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593336815 1349783273 /nfs/dbraw/zinc/78/32/73/1349783273.db2.gz DIIPVQJVEYBPHN-OAHLLOKOSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)N1CCCC1 ZINC001593343861 1349787436 /nfs/dbraw/zinc/78/74/36/1349787436.db2.gz CHFIYECACVSGHG-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM O=C(c1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)N1CCCC1 ZINC001593343861 1349787441 /nfs/dbraw/zinc/78/74/41/1349787441.db2.gz CHFIYECACVSGHG-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC2(CCC(O)CC2)CC1 ZINC001593362365 1349791156 /nfs/dbraw/zinc/79/11/56/1349791156.db2.gz OQYYWBHEVYJNOZ-UHFFFAOYSA-N -1 1 347.444 2.086 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC2(CCC(O)CC2)CC1 ZINC001593362365 1349791164 /nfs/dbraw/zinc/79/11/64/1349791164.db2.gz OQYYWBHEVYJNOZ-UHFFFAOYSA-N -1 1 347.444 2.086 20 0 EEADMM O=C1[C@@H](Sc2cccnc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC001593382570 1349795178 /nfs/dbraw/zinc/79/51/78/1349795178.db2.gz PPEMZUIZMZEDDM-ZDUSSCGKSA-N -1 1 338.396 2.159 20 0 EEADMM O=C1[C@@H](Sc2cccnc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC001593382570 1349795183 /nfs/dbraw/zinc/79/51/83/1349795183.db2.gz PPEMZUIZMZEDDM-ZDUSSCGKSA-N -1 1 338.396 2.159 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001593494326 1349820115 /nfs/dbraw/zinc/82/01/15/1349820115.db2.gz RHUKYAOOZLJVCG-JSGCOSHPSA-N -1 1 329.310 2.077 20 0 EEADMM O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001593519368 1349829131 /nfs/dbraw/zinc/82/91/31/1349829131.db2.gz LVANOXTXLIJPQV-FVQBIDKESA-N -1 1 328.420 2.172 20 0 EEADMM O[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001593519368 1349829133 /nfs/dbraw/zinc/82/91/33/1349829133.db2.gz LVANOXTXLIJPQV-FVQBIDKESA-N -1 1 328.420 2.172 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001593539868 1349836586 /nfs/dbraw/zinc/83/65/86/1349836586.db2.gz KAEHCABPIQBEEN-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001593539868 1349836589 /nfs/dbraw/zinc/83/65/89/1349836589.db2.gz KAEHCABPIQBEEN-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)[C@@H]3CCC[C@@H]23)cc1 ZINC001593574253 1349858019 /nfs/dbraw/zinc/85/80/19/1349858019.db2.gz YSJXCYVMJGKIPM-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)[C@@H]3CCC[C@@H]23)cc1 ZINC001593574253 1349858023 /nfs/dbraw/zinc/85/80/23/1349858023.db2.gz YSJXCYVMJGKIPM-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593579430 1349860408 /nfs/dbraw/zinc/86/04/08/1349860408.db2.gz HCKWZKWFTSDVPI-NSHDSACASA-N -1 1 337.387 2.445 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593579430 1349860413 /nfs/dbraw/zinc/86/04/13/1349860413.db2.gz HCKWZKWFTSDVPI-NSHDSACASA-N -1 1 337.387 2.445 20 0 EEADMM Cc1c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n[nH]c1C(F)(F)F ZINC001600007128 1349954104 /nfs/dbraw/zinc/95/41/04/1349954104.db2.gz CPAAJLKORNVTMY-YMTOWFKASA-N -1 1 345.321 2.454 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@@H](C2CCOCC2)C1 ZINC001600012751 1349955524 /nfs/dbraw/zinc/95/55/24/1349955524.db2.gz PNKJTSAOVITZLX-GFCCVEGCSA-N -1 1 327.812 2.249 20 0 EEADMM Cc1ccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1F ZINC001600448912 1350053958 /nfs/dbraw/zinc/05/39/58/1350053958.db2.gz XQIPTWMKAVUWGY-GOSISDBHSA-N -1 1 345.374 2.447 20 0 EEADMM Cc1ccc2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc(=O)n2c1 ZINC001600504281 1350068058 /nfs/dbraw/zinc/06/80/58/1350068058.db2.gz XSOYLGMFDLOOLN-HRCADAONSA-N -1 1 341.411 2.078 20 0 EEADMM Cc1cccc(Cl)c1CN1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001600534997 1350075739 /nfs/dbraw/zinc/07/57/39/1350075739.db2.gz BUPKRUDAXBODMT-QGZVFWFLSA-N -1 1 338.835 2.010 20 0 EEADMM Cc1cccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001600539552 1350076595 /nfs/dbraw/zinc/07/65/95/1350076595.db2.gz UBZPNIDLAXHLKG-GOSISDBHSA-N -1 1 327.384 2.308 20 0 EEADMM Cc1cccc(OCCNC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001600546170 1350078893 /nfs/dbraw/zinc/07/88/93/1350078893.db2.gz WCOTUVMVPNJQCE-SFHVURJKSA-N -1 1 348.443 2.113 20 0 EEADMM Cc1cccc2c(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)coc21 ZINC001600551921 1350080352 /nfs/dbraw/zinc/08/03/52/1350080352.db2.gz HCAJMFWIPRKATN-ZDUSSCGKSA-N -1 1 330.384 2.362 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N1CCN(C(C)C)CC1 ZINC001600646975 1350107043 /nfs/dbraw/zinc/10/70/43/1350107043.db2.gz GFRICCISUHIYTH-GFCCVEGCSA-N -1 1 339.461 2.108 20 0 EEADMM Cc1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC001600734523 1350124326 /nfs/dbraw/zinc/12/43/26/1350124326.db2.gz AWHULQIBGWASQY-UHFFFAOYSA-N -1 1 337.339 2.489 20 0 EEADMM Cc1sc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1Br ZINC001600880222 1350158666 /nfs/dbraw/zinc/15/86/66/1350158666.db2.gz GBIGLZYMTYTGON-IUCAKERBSA-N -1 1 334.235 2.086 20 0 EEADMM O=C([O-])[C@]12C[C@H]1CCCN2CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001601312913 1350255140 /nfs/dbraw/zinc/25/51/40/1350255140.db2.gz BRMHCKZUTGBTHS-PSLIRLAXSA-N -1 1 326.755 2.357 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)Cc2[nH]nc3ccccc32)c(F)c1 ZINC001601375283 1350269885 /nfs/dbraw/zinc/26/98/85/1350269885.db2.gz HEEDVURTRRILCB-UHFFFAOYSA-N -1 1 327.315 2.259 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cc(F)cc(F)c1O)c1ccc(F)cc1 ZINC001601458384 1350288522 /nfs/dbraw/zinc/28/85/22/1350288522.db2.gz NHXUDXLWUZNAJA-LBPRGKRZSA-N -1 1 339.269 2.408 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)CC1CCCC1 ZINC001601459968 1350289539 /nfs/dbraw/zinc/28/95/39/1350289539.db2.gz XLBYTJDMIXNVBG-OAHLLOKOSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])c1cc(NC(=O)NCc2ccc3cncn3c2)ccc1F ZINC001601541204 1350303965 /nfs/dbraw/zinc/30/39/65/1350303965.db2.gz FGLSOIAMAQIBLM-UHFFFAOYSA-N -1 1 328.303 2.493 20 0 EEADMM O=C([O-])c1ccc(F)c(NC(=O)NCc2ccc3cncn3c2)c1 ZINC001601542084 1350304055 /nfs/dbraw/zinc/30/40/55/1350304055.db2.gz ZCYHUCDPRVIDAJ-UHFFFAOYSA-N -1 1 328.303 2.493 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001601567994 1350308883 /nfs/dbraw/zinc/30/88/83/1350308883.db2.gz FCDVQHFZYRDPQX-FGTMMUONSA-N -1 1 349.390 2.479 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)N[C@H]1CCN(c2ccccc2)C1=O ZINC001601660265 1350330901 /nfs/dbraw/zinc/33/09/01/1350330901.db2.gz NPISLQZTTVXFJN-DLBZAZTESA-N -1 1 342.370 2.217 20 0 EEADMM O=C([O-])[C@@H](Cc1cncs1)NCc1ncc(C(F)(F)F)s1 ZINC001601662205 1350331399 /nfs/dbraw/zinc/33/13/99/1350331399.db2.gz GZROTNKHTSKVEF-SSDOTTSWSA-N -1 1 337.348 2.404 20 0 EEADMM O=C([O-])C1(C2(O)CCN(CCOc3ccccc3F)CC2)CCC1 ZINC001601706820 1350344229 /nfs/dbraw/zinc/34/42/29/1350344229.db2.gz YICLPHFWVQEGGI-UHFFFAOYSA-N -1 1 337.391 2.286 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)N[C@H](c2ccccc2)C(F)F)CCC1 ZINC001601711829 1350345420 /nfs/dbraw/zinc/34/54/20/1350345420.db2.gz ARRAOCKDXQDSPO-LLVKDONJSA-N -1 1 333.356 2.167 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CC3(CCOCC3)[C@H]2c2ccco2)C1(F)F ZINC001601752065 1350356347 /nfs/dbraw/zinc/35/63/47/1350356347.db2.gz RXKXSJMKGDJADN-KGYLQXTDSA-N -1 1 327.327 2.399 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1(F)F ZINC001601753923 1350357000 /nfs/dbraw/zinc/35/70/00/1350357000.db2.gz ZDLIZCJEILCTKS-KBPBESRZSA-N -1 1 344.789 2.424 20 0 EEADMM O=C([O-])CCNC(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001602021979 1350420467 /nfs/dbraw/zinc/42/04/67/1350420467.db2.gz OCNULMYHQQIIIU-GOSISDBHSA-N -1 1 338.407 2.225 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cn1 ZINC001602401992 1350511120 /nfs/dbraw/zinc/51/11/20/1350511120.db2.gz AJUHYNKKYKVFTL-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCC([C@H]3CCOC3)CC2)c1 ZINC001602426737 1350516785 /nfs/dbraw/zinc/51/67/85/1350516785.db2.gz ZJMCFBLTAZVVPR-HNNXBMFYSA-N -1 1 329.400 2.441 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ncc4c(F)cccn43)[nH]c21 ZINC001602453893 1350522805 /nfs/dbraw/zinc/52/28/05/1350522805.db2.gz AMJQQVVMLUGJAZ-UHFFFAOYSA-N -1 1 339.286 2.300 20 0 EEADMM O=C([O-])c1ccccc1CCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC001602468578 1350526442 /nfs/dbraw/zinc/52/64/42/1350526442.db2.gz ZTHWPKQSRXHVRJ-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c(O)cccc2F)C1 ZINC001602621833 1350559561 /nfs/dbraw/zinc/55/95/61/1350559561.db2.gz CXRZSIVOWRFGTJ-SFHVURJKSA-N -1 1 329.327 2.400 20 0 EEADMM CC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1Cl ZINC001602902400 1350602957 /nfs/dbraw/zinc/60/29/57/1350602957.db2.gz XDXNDXMBBPTWRE-VURMDHGXSA-N -1 1 329.751 2.285 20 0 EEADMM CC(C)=C(C)CC(=O)NCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001603179859 1350656241 /nfs/dbraw/zinc/65/62/41/1350656241.db2.gz YFSXZCOANVLSNL-UHFFFAOYSA-N -1 1 349.464 2.296 20 0 EEADMM CC(C)C[C@]1(C)CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603264270 1350675250 /nfs/dbraw/zinc/67/52/50/1350675250.db2.gz ANEXJHQASQJFCY-HNNXBMFYSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)C[C@]1(C)CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603264270 1350675252 /nfs/dbraw/zinc/67/52/52/1350675252.db2.gz ANEXJHQASQJFCY-HNNXBMFYSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001603344840 1350691240 /nfs/dbraw/zinc/69/12/40/1350691240.db2.gz USJTZNAORLVMAV-MNOVXSKESA-N -1 1 337.445 2.030 20 0 EEADMM CC(C)c1cnc(Sc2ccnc(-c3nn[n-]n3)n2)n1C1CC1 ZINC001603406455 1350701746 /nfs/dbraw/zinc/70/17/46/1350701746.db2.gz LIBCFFMQLPTUOH-UHFFFAOYSA-N -1 1 328.405 2.463 20 0 EEADMM CC(C)c1nnc(CCC(=O)OCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001603418311 1350702714 /nfs/dbraw/zinc/70/27/14/1350702714.db2.gz HJIHIICLFONUNN-UHFFFAOYSA-N -1 1 348.388 2.111 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001603519596 1350715713 /nfs/dbraw/zinc/71/57/13/1350715713.db2.gz KULFMUCPDXPVGE-UHFFFAOYSA-N -1 1 348.443 2.485 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ncc(-c2ccccc2)o1 ZINC001603679422 1350740819 /nfs/dbraw/zinc/74/08/19/1350740819.db2.gz RLLNPEDVCYBDIY-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ncc(-c2ccccc2)o1 ZINC001603679422 1350740821 /nfs/dbraw/zinc/74/08/21/1350740821.db2.gz RLLNPEDVCYBDIY-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001603759103 1350759881 /nfs/dbraw/zinc/75/98/81/1350759881.db2.gz DCGNSXZUDPKVMY-LBPRGKRZSA-N -1 1 340.811 2.237 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603844872 1350781553 /nfs/dbraw/zinc/78/15/53/1350781553.db2.gz KGWWCQSEXBLRRG-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603844872 1350781554 /nfs/dbraw/zinc/78/15/54/1350781554.db2.gz KGWWCQSEXBLRRG-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCC[C@@]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)(C(=O)[O-])C1 ZINC001603887921 1350794112 /nfs/dbraw/zinc/79/41/12/1350794112.db2.gz TXCIIEUTWZCFMT-HWPZZCPQSA-N -1 1 333.367 2.129 20 0 EEADMM C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603965917 1350816288 /nfs/dbraw/zinc/81/62/88/1350816288.db2.gz XUHAIZROZNYBER-VCNAMUQVSA-N -1 1 349.464 2.293 20 0 EEADMM CC[C@@H](C)C[C@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604000039 1350825869 /nfs/dbraw/zinc/82/58/69/1350825869.db2.gz HTZNAHQNSPALHD-PSASIEDQSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](C)C[C@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604000039 1350825871 /nfs/dbraw/zinc/82/58/71/1350825871.db2.gz HTZNAHQNSPALHD-PSASIEDQSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](CNC(=O)C1=CCCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604030723 1350834823 /nfs/dbraw/zinc/83/48/23/1350834823.db2.gz DHXYCXMYMWAZSA-NSHDSACASA-N -1 1 347.448 2.049 20 0 EEADMM CC[C@H](COCC(F)(F)F)Nc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001604039114 1350836345 /nfs/dbraw/zinc/83/63/45/1350836345.db2.gz GJSYYAAYKBPMKC-SECBINFHSA-N -1 1 330.314 2.340 20 0 EEADMM CC[C@H](COCC(F)(F)F)Nc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001604039114 1350836348 /nfs/dbraw/zinc/83/63/48/1350836348.db2.gz GJSYYAAYKBPMKC-SECBINFHSA-N -1 1 330.314 2.340 20 0 EEADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1nc(C)cs1 ZINC001604049127 1350838770 /nfs/dbraw/zinc/83/87/70/1350838770.db2.gz LMBMGNGPDASREU-SNVBAGLBSA-N -1 1 344.404 2.299 20 0 EEADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1nc(C)cs1 ZINC001604049127 1350838772 /nfs/dbraw/zinc/83/87/72/1350838772.db2.gz LMBMGNGPDASREU-SNVBAGLBSA-N -1 1 344.404 2.299 20 0 EEADMM CCCC(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604125995 1350866041 /nfs/dbraw/zinc/86/60/41/1350866041.db2.gz RGEWCNDLUBSBRC-WDEREUQCSA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@H](C)[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604134270 1350868863 /nfs/dbraw/zinc/86/88/63/1350868863.db2.gz DUEUGPOVVPEOLM-KWQFWETISA-N -1 1 344.341 2.490 20 0 EEADMM CCC[C@H](C)[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604134270 1350868867 /nfs/dbraw/zinc/86/88/67/1350868867.db2.gz DUEUGPOVVPEOLM-KWQFWETISA-N -1 1 344.341 2.490 20 0 EEADMM CCC[C@H](C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604136462 1350869913 /nfs/dbraw/zinc/86/99/13/1350869913.db2.gz AVVBPIAZNNEEOX-ZETCQYMHSA-N -1 1 328.298 2.199 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604146928 1350874179 /nfs/dbraw/zinc/87/41/79/1350874179.db2.gz CLAZHNGUUJKDCG-JKSUJKDBSA-N -1 1 348.443 2.099 20 0 EEADMM CCCCO[C@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001604188080 1350889133 /nfs/dbraw/zinc/88/91/33/1350889133.db2.gz WWQMYVVXBCZIAL-STQMWFEESA-N -1 1 333.392 2.173 20 0 EEADMM CCCCO[C@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001604188080 1350889137 /nfs/dbraw/zinc/88/91/37/1350889137.db2.gz WWQMYVVXBCZIAL-STQMWFEESA-N -1 1 333.392 2.173 20 0 EEADMM CCN(CC(C)(C)C)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001604274735 1350907409 /nfs/dbraw/zinc/90/74/09/1350907409.db2.gz RTERXNCIVTZYAD-UHFFFAOYSA-N -1 1 343.478 2.126 20 0 EEADMM CCN(CCNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1C ZINC001604308081 1350912481 /nfs/dbraw/zinc/91/24/81/1350912481.db2.gz LDIKWQHFKBFXSL-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM CCN(CCNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1C ZINC001604308081 1350912483 /nfs/dbraw/zinc/91/24/83/1350912483.db2.gz LDIKWQHFKBFXSL-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM C[C@H](NC(=O)c1ccc(F)cc1O)c1ccc(OCC(=O)[O-])cc1 ZINC001604312030 1350913393 /nfs/dbraw/zinc/91/33/93/1350913393.db2.gz SLJLRNSVBSIIFH-JTQLQIEISA-N -1 1 333.315 2.486 20 0 EEADMM C[C@H](Oc1ccccc1CNCc1cc(N(C)C)ccn1)C(=O)[O-] ZINC001604444730 1350939528 /nfs/dbraw/zinc/93/95/28/1350939528.db2.gz ZRKDNEWRJQXBPL-ZDUSSCGKSA-N -1 1 329.400 2.289 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001604460633 1350942283 /nfs/dbraw/zinc/94/22/83/1350942283.db2.gz UAXSBXRKCNHWIN-OQPBUACISA-N -1 1 334.294 2.182 20 0 EEADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460565 1350942401 /nfs/dbraw/zinc/94/24/01/1350942401.db2.gz RWJWQRHJVCSYJW-VHSXEESVSA-N -1 1 348.321 2.429 20 0 EEADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460565 1350942405 /nfs/dbraw/zinc/94/24/05/1350942405.db2.gz RWJWQRHJVCSYJW-VHSXEESVSA-N -1 1 348.321 2.429 20 0 EEADMM CCc1nc(NCc2cccc(-c3cnco3)c2)cc(-c2nnn[n-]2)n1 ZINC001604568238 1350962174 /nfs/dbraw/zinc/96/21/74/1350962174.db2.gz QGALTULAUVUODD-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CCc1nc(NCc2cccc(-c3cnco3)c2)cc(-c2nn[n-]n2)n1 ZINC001604568238 1350962175 /nfs/dbraw/zinc/96/21/75/1350962175.db2.gz QGALTULAUVUODD-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CCc1noc(C)c1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001604586327 1350965163 /nfs/dbraw/zinc/96/51/63/1350965163.db2.gz HBXHKUGKBGUSND-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM CCc1noc(C)c1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001604586327 1350965165 /nfs/dbraw/zinc/96/51/65/1350965165.db2.gz HBXHKUGKBGUSND-UHFFFAOYSA-N -1 1 325.785 2.448 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(C(C)(F)F)cc2)CCN1CCC(=O)[O-] ZINC001604780661 1351002241 /nfs/dbraw/zinc/00/22/41/1351002241.db2.gz HZZMBAUQOFNJAV-LBPRGKRZSA-N -1 1 340.370 2.419 20 0 EEADMM CN(CCc1ccccc1F)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604792040 1351005546 /nfs/dbraw/zinc/00/55/46/1351005546.db2.gz RVDAFFQRUARCFR-UHFFFAOYSA-N -1 1 341.350 2.107 20 0 EEADMM CN(CCc1ccccc1F)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604792040 1351005549 /nfs/dbraw/zinc/00/55/49/1351005549.db2.gz RVDAFFQRUARCFR-UHFFFAOYSA-N -1 1 341.350 2.107 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cnn2c1CCC2 ZINC001604810186 1351012112 /nfs/dbraw/zinc/01/21/12/1351012112.db2.gz FBKAGBCSWAQFRA-CQSZACIVSA-N -1 1 340.427 2.238 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCO[C@@H]1CC1(F)F ZINC001604811678 1351013019 /nfs/dbraw/zinc/01/30/19/1351013019.db2.gz UQLFIRCHOUGBNT-IUODEOHRSA-N -1 1 340.370 2.320 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001604871422 1351023252 /nfs/dbraw/zinc/02/32/52/1351023252.db2.gz HMEDHCYCSPVUCV-IRXDYDNUSA-N -1 1 332.444 2.466 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001604929705 1351033442 /nfs/dbraw/zinc/03/34/42/1351033442.db2.gz YKMKWWWMOITWKY-YXJHDRRASA-N -1 1 332.444 2.482 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001604969847 1351041299 /nfs/dbraw/zinc/04/12/99/1351041299.db2.gz IBAJCJBITSXVOF-XHDPSFHLSA-N -1 1 331.372 2.013 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001604975294 1351042956 /nfs/dbraw/zinc/04/29/56/1351042956.db2.gz RJINKXPMWFFPAA-GMTAPVOTSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001604975294 1351042959 /nfs/dbraw/zinc/04/29/59/1351042959.db2.gz RJINKXPMWFFPAA-GMTAPVOTSA-N -1 1 330.392 2.285 20 0 EEADMM CCC(CC)(CNC(=O)c1ccc(Cc2nc[nH]n2)cc1)C(=O)[O-] ZINC001605000536 1351049971 /nfs/dbraw/zinc/04/99/71/1351049971.db2.gz IJQASTRLZZZIFS-UHFFFAOYSA-N -1 1 330.388 2.016 20 0 EEADMM COCCOc1cc(C)ccc1CNc1cccnc1-c1nnn[n-]1 ZINC001605116707 1351080597 /nfs/dbraw/zinc/08/05/97/1351080597.db2.gz IUKIKJDAWFWWHX-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1cc(C)ccc1CNc1cccnc1-c1nn[n-]n1 ZINC001605116707 1351080600 /nfs/dbraw/zinc/08/06/00/1351080600.db2.gz IUKIKJDAWFWWHX-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COc1cc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)ccc1F ZINC001605204717 1351102823 /nfs/dbraw/zinc/10/28/23/1351102823.db2.gz CIUZTHYJTDEMAH-SOFGYWHQSA-N -1 1 342.334 2.379 20 0 EEADMM CCCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001605258963 1351117779 /nfs/dbraw/zinc/11/77/79/1351117779.db2.gz YYCVCLZNQAGIIY-CABCVRRESA-N -1 1 332.400 2.452 20 0 EEADMM COc1ccc(C(C)C)cc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001605263648 1351119176 /nfs/dbraw/zinc/11/91/76/1351119176.db2.gz LXUVQWSNLSDLGA-UHFFFAOYSA-N -1 1 325.372 2.209 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605330596 1351138157 /nfs/dbraw/zinc/13/81/57/1351138157.db2.gz AXGQIKBFUXDSBM-YOEHRIQHSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605330596 1351138160 /nfs/dbraw/zinc/13/81/60/1351138160.db2.gz AXGQIKBFUXDSBM-YOEHRIQHSA-N -1 1 337.387 2.116 20 0 EEADMM CSc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001605389896 1351151954 /nfs/dbraw/zinc/15/19/54/1351151954.db2.gz XHTHOWOJCKNVNG-UHFFFAOYSA-N -1 1 347.425 2.389 20 0 EEADMM C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC001605442037 1351158825 /nfs/dbraw/zinc/15/88/25/1351158825.db2.gz ZFQDQJKERMLGJM-YFKPBYRVSA-N -1 1 330.801 2.119 20 0 EEADMM C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC001605442037 1351158827 /nfs/dbraw/zinc/15/88/27/1351158827.db2.gz ZFQDQJKERMLGJM-YFKPBYRVSA-N -1 1 330.801 2.119 20 0 EEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@](C)(CC)C(=O)[O-] ZINC001605565231 1351191411 /nfs/dbraw/zinc/19/14/11/1351191411.db2.gz HNBUHORXAMUHKF-HNNXBMFYSA-N -1 1 342.417 2.015 20 0 EEADMM CCOC(=O)c1oc2ccccc2c1CN[C@@]1(CC(=O)[O-])CCOC1 ZINC001605584195 1351194353 /nfs/dbraw/zinc/19/43/53/1351194353.db2.gz DUNICVXKZCYWFB-GOSISDBHSA-N -1 1 347.367 2.333 20 0 EEADMM CCO[C@@H](CS(=O)(=O)Nc1c(F)ccc(F)c1C(=O)[O-])C1CC1 ZINC001605592603 1351197106 /nfs/dbraw/zinc/19/71/06/1351197106.db2.gz BUAKCNPOCYGPBX-NSHDSACASA-N -1 1 349.355 2.220 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C)[nH]1 ZINC001605619960 1351202571 /nfs/dbraw/zinc/20/25/71/1351202571.db2.gz NNXMDHFOYUZOKK-UHFFFAOYSA-N -1 1 332.314 2.020 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C)[nH]1 ZINC001605619960 1351202576 /nfs/dbraw/zinc/20/25/76/1351202576.db2.gz NNXMDHFOYUZOKK-UHFFFAOYSA-N -1 1 332.314 2.020 20 0 EEADMM CCc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cnn2C)cc1CC ZINC001605824026 1351228922 /nfs/dbraw/zinc/22/89/22/1351228922.db2.gz UCKKBJBLXPJTPD-UHFFFAOYSA-N -1 1 337.401 2.044 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@@H](C(=O)[O-])C1CCOCC1 ZINC001605830643 1351230958 /nfs/dbraw/zinc/23/09/58/1351230958.db2.gz MMMPHCFAHZFTDQ-GOSISDBHSA-N -1 1 348.443 2.219 20 0 EEADMM Cc1ccc(N2CCC(Nc3ccccn3)CC2)nc1-c1nn[n-]n1 ZINC001605864549 1351240594 /nfs/dbraw/zinc/24/05/94/1351240594.db2.gz IHNDYQICLBFDCO-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1C ZINC001605879171 1351244666 /nfs/dbraw/zinc/24/46/66/1351244666.db2.gz DSZOJKDSJDYQGG-UHFFFAOYSA-N -1 1 336.398 2.313 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC001605888799 1351247130 /nfs/dbraw/zinc/24/71/30/1351247130.db2.gz ZSOBBGKWGCVHLJ-ZDUSSCGKSA-N -1 1 339.355 2.248 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COc2c1ccc(C)c2C ZINC001605888799 1351247135 /nfs/dbraw/zinc/24/71/35/1351247135.db2.gz ZSOBBGKWGCVHLJ-ZDUSSCGKSA-N -1 1 339.355 2.248 20 0 EEADMM Cc1ccc2oc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)cc2c1 ZINC001605894258 1351249226 /nfs/dbraw/zinc/24/92/26/1351249226.db2.gz GDMYYKTUZJEXEH-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1ccc2oc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)cc2c1 ZINC001605894258 1351249228 /nfs/dbraw/zinc/24/92/28/1351249228.db2.gz GDMYYKTUZJEXEH-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1cnc2c(c1)N(C(=O)c1[nH]c3ccccc3c1-c1nn[n-]n1)CC2 ZINC001605980696 1351261235 /nfs/dbraw/zinc/26/12/35/1351261235.db2.gz PWHMBGXFYHOOKZ-UHFFFAOYSA-N -1 1 345.366 2.254 20 0 EEADMM Cc1nc(N[C@H](C)c2noc(-c3ccccc3)n2)cc(-c2nnn[n-]2)n1 ZINC001606060555 1351267310 /nfs/dbraw/zinc/26/73/10/1351267310.db2.gz LLYBOSFSZQIBDE-SECBINFHSA-N -1 1 349.358 2.188 20 0 EEADMM Cc1nc(N[C@H](C)c2noc(-c3ccccc3)n2)cc(-c2nn[n-]n2)n1 ZINC001606060555 1351267313 /nfs/dbraw/zinc/26/73/13/1351267313.db2.gz LLYBOSFSZQIBDE-SECBINFHSA-N -1 1 349.358 2.188 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC001606169441 1351280554 /nfs/dbraw/zinc/28/05/54/1351280554.db2.gz MGDCYZDHSGDSNB-UHFFFAOYSA-N -1 1 330.373 2.356 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2c(s1)CCCC2 ZINC001606169441 1351280558 /nfs/dbraw/zinc/28/05/58/1351280558.db2.gz MGDCYZDHSGDSNB-UHFFFAOYSA-N -1 1 330.373 2.356 20 0 EEADMM O=C(CC1(C(F)(F)F)CC1)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001606490767 1351311079 /nfs/dbraw/zinc/31/10/79/1351311079.db2.gz XGJNOEUUFBWEDJ-UHFFFAOYSA-N -1 1 327.266 2.009 20 0 EEADMM O=C(Cc1ccc2cnccc2c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606599888 1351330019 /nfs/dbraw/zinc/33/00/19/1351330019.db2.gz AVLAOUWVICAWKB-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606633069 1351335025 /nfs/dbraw/zinc/33/50/25/1351335025.db2.gz KCDVRUSPAPMBRF-HIFRSBDPSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606633069 1351335029 /nfs/dbraw/zinc/33/50/29/1351335029.db2.gz KCDVRUSPAPMBRF-HIFRSBDPSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(NCC[C@H]1CC1(Cl)Cl)c1ccsc1-c1nnn[n-]1 ZINC001606762035 1351353396 /nfs/dbraw/zinc/35/33/96/1351353396.db2.gz SLYPJUQULNQPPM-LURJTMIESA-N -1 1 332.216 2.242 20 0 EEADMM O=C(NCC[C@H]1CC1(Cl)Cl)c1ccsc1-c1nn[n-]n1 ZINC001606762035 1351353398 /nfs/dbraw/zinc/35/33/98/1351353398.db2.gz SLYPJUQULNQPPM-LURJTMIESA-N -1 1 332.216 2.242 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606892895 1351370511 /nfs/dbraw/zinc/37/05/11/1351370511.db2.gz ZNYJFVPKDSJPER-CHWSQXEVSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606892895 1351370516 /nfs/dbraw/zinc/37/05/16/1351370516.db2.gz ZNYJFVPKDSJPER-CHWSQXEVSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1(C(F)F)CCC1 ZINC001606949973 1351383125 /nfs/dbraw/zinc/38/31/25/1351383125.db2.gz OAQBIYPIPFPCCP-UHFFFAOYSA-N -1 1 334.739 2.351 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2cccc(Cl)c2C1 ZINC001607017478 1351398486 /nfs/dbraw/zinc/39/84/86/1351398486.db2.gz UFSGFYJHNOROJW-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2cccc(Cl)c2C1 ZINC001607017478 1351398488 /nfs/dbraw/zinc/39/84/88/1351398488.db2.gz UFSGFYJHNOROJW-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cc(F)c(F)cc21 ZINC001607022298 1351399396 /nfs/dbraw/zinc/39/93/96/1351399396.db2.gz KWKNKGUEAFJSCA-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cc(F)c(F)cc21 ZINC001607022298 1351399398 /nfs/dbraw/zinc/39/93/98/1351399398.db2.gz KWKNKGUEAFJSCA-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCOC2(C1)CCCCCC2 ZINC001607026524 1351400480 /nfs/dbraw/zinc/40/04/80/1351400480.db2.gz GLRQGBIFIIDIDE-UHFFFAOYSA-N -1 1 347.444 2.494 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCOC2(C1)CCCCCC2 ZINC001607026524 1351400482 /nfs/dbraw/zinc/40/04/82/1351400482.db2.gz GLRQGBIFIIDIDE-UHFFFAOYSA-N -1 1 347.444 2.494 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CCOc1ccccc1 ZINC001607090055 1351413970 /nfs/dbraw/zinc/41/39/70/1351413970.db2.gz JQPSFYFTYDXYHS-UHFFFAOYSA-N -1 1 339.380 2.322 20 0 EEADMM O[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCCC1 ZINC001607097759 1351417390 /nfs/dbraw/zinc/41/73/90/1351417390.db2.gz RRFRBEABBLFKEF-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@@H]2CCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114372 1351423905 /nfs/dbraw/zinc/42/39/05/1351423905.db2.gz IMDYSHBDHNODAT-IUODEOHRSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114372 1351423908 /nfs/dbraw/zinc/42/39/08/1351423908.db2.gz IMDYSHBDHNODAT-IUODEOHRSA-N -1 1 341.419 2.151 20 0 EEADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)n(-c2ccccc2)n1 ZINC001607126782 1351429705 /nfs/dbraw/zinc/42/97/05/1351429705.db2.gz OQMGZGWEAJBUMY-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n(-c2ccccc2)n1 ZINC001607126782 1351429706 /nfs/dbraw/zinc/42/97/06/1351429706.db2.gz OQMGZGWEAJBUMY-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM c1ccc(COC[C@@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)cc1 ZINC001607128403 1351430781 /nfs/dbraw/zinc/43/07/81/1351430781.db2.gz AOULUCAMNVCOIE-OAHLLOKOSA-N -1 1 336.399 2.305 20 0 EEADMM c1ccc(COC[C@@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)cc1 ZINC001607128403 1351430788 /nfs/dbraw/zinc/43/07/88/1351430788.db2.gz AOULUCAMNVCOIE-OAHLLOKOSA-N -1 1 336.399 2.305 20 0 EEADMM c1cn(Cc2cncc(OCc3ccccc3)c2)c(-c2nnn[n-]2)n1 ZINC001607128879 1351431350 /nfs/dbraw/zinc/43/13/50/1351431350.db2.gz JGTRWUTYLWMAOC-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2cncc(OCc3ccccc3)c2)c(-c2nn[n-]n2)n1 ZINC001607128879 1351431352 /nfs/dbraw/zinc/43/13/52/1351431352.db2.gz JGTRWUTYLWMAOC-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cnc2nc([C@H]3CCN(c4ccnc(-c5nnn[n-]5)c4)C3)ccc2c1 ZINC001607136214 1351434951 /nfs/dbraw/zinc/43/49/51/1351434951.db2.gz SFVVPYCVJKZKNQ-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM c1cnc2nc([C@H]3CCN(c4ccnc(-c5nn[n-]n5)c4)C3)ccc2c1 ZINC001607136214 1351434952 /nfs/dbraw/zinc/43/49/52/1351434952.db2.gz SFVVPYCVJKZKNQ-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM CS(=O)(=O)c1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC001607382685 1351484432 /nfs/dbraw/zinc/48/44/32/1351484432.db2.gz JAOWNMAMJYLXRE-UHFFFAOYSA-N -1 1 333.409 2.007 20 0 EEADMM Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485641 1351501796 /nfs/dbraw/zinc/50/17/96/1351501796.db2.gz JQRPPQUIIKPPBM-LBPRGKRZSA-N -1 1 336.388 2.089 20 0 EEADMM Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485641 1351501799 /nfs/dbraw/zinc/50/17/99/1351501799.db2.gz JQRPPQUIIKPPBM-LBPRGKRZSA-N -1 1 336.388 2.089 20 0 EEADMM Cc1[nH]c2c(cccc2C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1C ZINC001607499639 1351506337 /nfs/dbraw/zinc/50/63/37/1351506337.db2.gz VISPAVJTZBBVJP-GFCCVEGCSA-N -1 1 343.427 2.406 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001607616376 1351525866 /nfs/dbraw/zinc/52/58/66/1351525866.db2.gz HCOBCYCURGNMGT-UHFFFAOYSA-N -1 1 346.305 2.397 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cccc3c2OCCO3)c1C(=O)[O-] ZINC001607862790 1351573850 /nfs/dbraw/zinc/57/38/50/1351573850.db2.gz AXGFIZLUUNIBIV-UHFFFAOYSA-N -1 1 349.364 2.265 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001607990454 1351599219 /nfs/dbraw/zinc/59/92/19/1351599219.db2.gz IXSWGMKAGFGOFX-QWHCGFSZSA-N -1 1 328.372 2.405 20 0 EEADMM Cc1oc(CN[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)cc1C(=O)[O-] ZINC001608051934 1351614503 /nfs/dbraw/zinc/61/45/03/1351614503.db2.gz ORFJWVGAQPDKMY-NNUKFRKNSA-N -1 1 349.408 2.381 20 0 EEADMM Cn1cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1C(=O)[O-] ZINC001608112728 1351628128 /nfs/dbraw/zinc/62/81/28/1351628128.db2.gz PKUQWQOPBDVHMR-CRAIPNDOSA-N -1 1 332.375 2.023 20 0 EEADMM O=C([O-])c1cnc(CNCCCNC(=O)/C=C/c2ccccc2)s1 ZINC001608287662 1351663949 /nfs/dbraw/zinc/66/39/49/1351663949.db2.gz MMAUUDUPCSCVKE-BQYQJAHWSA-N -1 1 345.424 2.151 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001608454761 1351698102 /nfs/dbraw/zinc/69/81/02/1351698102.db2.gz TWTFNFSFJLKLDS-UONOGXRCSA-N -1 1 342.399 2.021 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N(C)CC1CCCCC1 ZINC001649186771 1352381110 /nfs/dbraw/zinc/38/11/10/1352381110.db2.gz KSXYEGYAAREMCC-UHFFFAOYSA-N -1 1 332.456 2.055 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N(C)CC1CCCCC1 ZINC001649186771 1352381112 /nfs/dbraw/zinc/38/11/12/1352381112.db2.gz KSXYEGYAAREMCC-UHFFFAOYSA-N -1 1 332.456 2.055 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000038105329 1352415871 /nfs/dbraw/zinc/41/58/71/1352415871.db2.gz XNVSETNYLNQNHN-JTQLQIEISA-N -1 1 332.834 2.117 20 0 EEADMM CCOC(=O)c1noc([N-]C(=O)c2cc(-c3ccccn3)no2)c1C ZINC001626763638 1352472511 /nfs/dbraw/zinc/47/25/11/1352472511.db2.gz ZSGGPIMLOBXYCS-UHFFFAOYSA-N -1 1 342.311 2.462 20 0 EEADMM C[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1cccc1 ZINC001632496904 1352598045 /nfs/dbraw/zinc/59/80/45/1352598045.db2.gz FIXSMPNLNRBORA-TVQRCGJNSA-N -1 1 348.769 2.261 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ncc(Cl)cc1Cl ZINC001642562734 1352733696 /nfs/dbraw/zinc/73/36/96/1352733696.db2.gz SJLYVUASXZXYLS-NSHDSACASA-N -1 1 349.181 2.421 20 0 EEADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000058704369 1352750886 /nfs/dbraw/zinc/75/08/86/1352750886.db2.gz ACGVFPQJTCPTDQ-UHFFFAOYSA-N -1 1 326.761 2.322 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC001647107265 1353145000 /nfs/dbraw/zinc/14/50/00/1353145000.db2.gz YOLIGRMPUFKDRZ-CYZMBNFOSA-N -1 1 347.383 2.209 20 0 EEADMM O=C(CCCc1nn[n-]n1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001647347025 1353238899 /nfs/dbraw/zinc/23/88/99/1353238899.db2.gz NQAWOOCAZUCRAN-CRAIPNDOSA-N -1 1 325.416 2.450 20 0 EEADMM COCCc1ncc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001647409610 1353267007 /nfs/dbraw/zinc/26/70/07/1353267007.db2.gz KFUSHZWRPNTHBX-LBPRGKRZSA-N -1 1 338.351 2.171 20 0 EEADMM CCc1n[nH]c([N-]S(=O)(=O)c2cc(F)c(OC)c(F)c2)c1C ZINC001647548668 1353321127 /nfs/dbraw/zinc/32/11/27/1353321127.db2.gz WDVAWWABKWNZLS-UHFFFAOYSA-N -1 1 331.344 2.368 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc(C)n1 ZINC001647598295 1353341185 /nfs/dbraw/zinc/34/11/85/1353341185.db2.gz JLPGGQFHADDSDZ-GFCCVEGCSA-N -1 1 343.349 2.229 20 0 EEADMM CC(C)(C)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC001649745129 1353582373 /nfs/dbraw/zinc/58/23/73/1353582373.db2.gz LPFCXZUDSXMDEV-UHFFFAOYSA-N -1 1 346.406 2.273 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC001662941575 1354878778 /nfs/dbraw/zinc/87/87/78/1354878778.db2.gz CNMVVBWXUDKRPH-UHFFFAOYSA-N -1 1 346.408 2.403 20 0 EEADMM N#Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000078797390 1354914502 /nfs/dbraw/zinc/91/45/02/1354914502.db2.gz JFAWGKXTDZDQPV-UHFFFAOYSA-N -1 1 330.365 2.066 20 0 EEADMM CCN(CCNC(=O)c1cc(C)cs1)C(=O)c1ncccc1[O-] ZINC001388250103 1387283384 /nfs/dbraw/zinc/28/33/84/1387283384.db2.gz GSDALIVYGHVJLI-UHFFFAOYSA-N -1 1 333.413 2.049 20 0 EEADMM Cc1ccccc1C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001388863484 1387763240 /nfs/dbraw/zinc/76/32/40/1387763240.db2.gz UAFUWWLFPWTASV-HNNXBMFYSA-N -1 1 341.411 2.280 20 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KSWGVRQNVOQTRN-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)CC(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001074831931 1370956382 /nfs/dbraw/zinc/95/63/82/1370956382.db2.gz XWLXGNDIZNSEKV-STQMWFEESA-N -1 1 333.432 2.333 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)OCCc1c(C)nc2nc[n-]n2c1=O ZINC000796829179 1371473798 /nfs/dbraw/zinc/47/37/98/1371473798.db2.gz POBAVMPOXZUIEY-GXTWGEPZSA-N -1 1 332.404 2.028 20 0 EEADMM CCC(=O)c1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831138868 1372368270 /nfs/dbraw/zinc/36/82/70/1372368270.db2.gz CMPZWUGEFGSMRA-UHFFFAOYSA-N -1 1 342.317 2.030 20 0 EEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)[C@@H](O)c1ccccc1 ZINC000831321418 1372373364 /nfs/dbraw/zinc/37/33/64/1372373364.db2.gz NIZBMDOJPGBVTM-OLZOCXBDSA-N -1 1 343.836 2.100 20 0 EEADMM O=S(=O)([N-][C@H]1CC12CCOCC2)c1c(Cl)ccnc1Cl ZINC000832318175 1372427227 /nfs/dbraw/zinc/42/72/27/1372427227.db2.gz VHVMLLXVQRDPDY-VIFPVBQESA-N -1 1 337.228 2.236 20 0 EEADMM COc1cc(CCC(=O)Nc2nc(Br)ccc2[O-])on1 ZINC000834298475 1372543730 /nfs/dbraw/zinc/54/37/30/1372543730.db2.gz QCYAZWUQQLFOCB-UHFFFAOYSA-N -1 1 342.149 2.118 20 0 EEADMM Cc1[nH]c(CN2CCC(NC(=O)C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001140498146 1372588048 /nfs/dbraw/zinc/58/80/48/1372588048.db2.gz GMUANQSPBLASME-UHFFFAOYSA-N -1 1 335.448 2.456 20 0 EEADMM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000837403722 1372785789 /nfs/dbraw/zinc/78/57/89/1372785789.db2.gz GPHJWCPVQAFQAL-ZDUSSCGKSA-N -1 1 349.822 2.022 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc2ccccc2o1 ZINC001355555863 1373162357 /nfs/dbraw/zinc/16/23/57/1373162357.db2.gz PXRYQNQSUWVNCS-UHFFFAOYSA-N -1 1 339.351 2.035 20 0 EEADMM O=C(c1cc(Cl)ccc1[O-])N1CCNC(=O)[C@@H]1c1cccs1 ZINC001362344241 1373395783 /nfs/dbraw/zinc/39/57/83/1373395783.db2.gz CMVLNAQIEKYSQB-ZDUSSCGKSA-N -1 1 336.800 2.420 20 0 EEADMM C[C@@H](CSC(F)(F)F)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001362435931 1373409546 /nfs/dbraw/zinc/40/95/46/1373409546.db2.gz RTECJNSPWCMWKJ-YUMQZZPRSA-N -1 1 339.339 2.370 20 0 EEADMM CS[C@@H](C)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001363465712 1373522744 /nfs/dbraw/zinc/52/27/44/1373522744.db2.gz JTQVXHNKYTVKMO-GUBZILKMSA-N -1 1 326.384 2.186 20 0 EEADMM CCCc1ccc(N2C[C@H](C(=O)Nc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001363708823 1373546070 /nfs/dbraw/zinc/54/60/70/1373546070.db2.gz QBYTWEYYJUMBDX-GFCCVEGCSA-N -1 1 328.372 2.059 20 0 EEADMM CO[C@H](C(=O)Nc1c[n-][nH]c1=O)c1ccccc1Br ZINC001364090904 1373586787 /nfs/dbraw/zinc/58/67/87/1373586787.db2.gz HHVWTKGATRCBAP-JTQLQIEISA-N -1 1 326.150 2.204 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccc(NC(C)=O)cc2)cc(=O)[n-]1 ZINC001365757047 1373754512 /nfs/dbraw/zinc/75/45/12/1373754512.db2.gz IYSCSLGPHKIANI-UHFFFAOYSA-N -1 1 347.400 2.184 20 0 EEADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC001369896654 1374706255 /nfs/dbraw/zinc/70/62/55/1374706255.db2.gz JQAAXIKHIYDALG-KGLIPLIRSA-N -1 1 341.411 2.168 20 0 EEADMM CC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CCCC2)CCC1 ZINC001379562801 1380759877 /nfs/dbraw/zinc/75/98/77/1380759877.db2.gz SNSRACKMSFBUNV-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)CC1(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001380281063 1381148256 /nfs/dbraw/zinc/14/82/56/1381148256.db2.gz DWXCKDIBHCAFEB-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC001380846063 1381399295 /nfs/dbraw/zinc/39/92/95/1381399295.db2.gz JQAAXIKHIYDALG-ZIAGYGMSSA-N -1 1 341.411 2.168 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001382158860 1382015283 /nfs/dbraw/zinc/01/52/83/1382015283.db2.gz SNEMFPVTMVLFNK-LBPRGKRZSA-N -1 1 345.447 2.058 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](CNC/C(Cl)=C\Cl)C(C)(C)C)c1[O-] ZINC001382515053 1382110004 /nfs/dbraw/zinc/11/00/04/1382110004.db2.gz LWYIAKZCUWCKHS-NAZIUFLLSA-N -1 1 349.262 2.477 20 0 EEADMM Cc1cc(F)cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])c1 ZINC001383698553 1382646475 /nfs/dbraw/zinc/64/64/75/1382646475.db2.gz FRWPKUSNLXKVCC-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCC1(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001384904996 1385310599 /nfs/dbraw/zinc/31/05/99/1385310599.db2.gz GXYIVDDFANAYKD-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)(C)CC(=O)NC1CC2(C1)CC(NC(=O)c1ncccc1[O-])C2 ZINC001385095407 1385368798 /nfs/dbraw/zinc/36/87/98/1385368798.db2.gz UZDVIJBGUKRZPW-UHFFFAOYSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@H](C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1)C(C)(C)C ZINC001385466004 1385595170 /nfs/dbraw/zinc/59/51/70/1385595170.db2.gz ARPULNUYHPAYGO-CYBMUJFWSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H](CNC(=O)C1(C2CCCCC2)CC1)NC(=O)c1ncccc1[O-] ZINC001387005533 1386445519 /nfs/dbraw/zinc/44/55/19/1386445519.db2.gz FJVAVRDTYHDMCE-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387230026 1386582599 /nfs/dbraw/zinc/58/25/99/1386582599.db2.gz YWDVZOOMWJSHAO-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CCCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387540803 1386818324 /nfs/dbraw/zinc/81/83/24/1386818324.db2.gz NCRCIHIQKJRPPU-CQSZACIVSA-N -1 1 327.384 2.175 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])Cc1nc(C)cs1 ZINC001391128308 1389057740 /nfs/dbraw/zinc/05/77/40/1389057740.db2.gz ZPWCKOHPKLTXCD-UHFFFAOYSA-N -1 1 334.445 2.194 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H](C)c1ccsc1 ZINC001395072186 1390781718 /nfs/dbraw/zinc/78/17/18/1390781718.db2.gz ZHYBTKGGSANAAJ-VXGBXAGGSA-N -1 1 347.440 2.229 20 0 EEADMM CCC[C@H](C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)C ZINC001397025315 1391013409 /nfs/dbraw/zinc/01/34/09/1391013409.db2.gz VHKZJXKAVXZVHR-GJZGRUSLSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cc(F)cc(C)c1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001397523709 1391286857 /nfs/dbraw/zinc/28/68/57/1391286857.db2.gz QQKOKDVQVMZZND-GFCCVEGCSA-N -1 1 345.374 2.091 20 0 EEADMM CC[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cc(F)ccc1F ZINC001400815333 1396608188 /nfs/dbraw/zinc/60/81/88/1396608188.db2.gz ROIQFZYMPPKWPR-LBPRGKRZSA-N -1 1 338.358 2.000 20 0 EEADMM CC(C)CCC(=O)N[C@H](C)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001425078917 1401433354 /nfs/dbraw/zinc/43/33/54/1401433354.db2.gz NDWHWMISGUEBCG-GFCCVEGCSA-N -1 1 348.447 2.073 20 0 EEADMM CCCCCC(=O)N1CCC[C@@H]([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001755202913 1407213652 /nfs/dbraw/zinc/21/36/52/1407213652.db2.gz NZXQIZVLMWYVRA-HUUCEWRRSA-N -1 1 349.479 2.151 20 0 EEADMM CC(C)(C)CC(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428338904 1402676689 /nfs/dbraw/zinc/67/66/89/1402676689.db2.gz RXYSAXPFDCHRPB-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM NC(=O)COc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001433605011 1403412207 /nfs/dbraw/zinc/41/22/07/1403412207.db2.gz IFMBNHCAUHZCJC-UHFFFAOYSA-N -1 1 334.759 2.091 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001578428207 1403753549 /nfs/dbraw/zinc/75/35/49/1403753549.db2.gz YBOYGKINTPQOTG-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM CNC(=O)c1ccc(C)c(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001579421688 1403782647 /nfs/dbraw/zinc/78/26/47/1403782647.db2.gz KWTXLEVXQRBZAR-UHFFFAOYSA-N -1 1 328.401 2.208 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@H]2c2ccsc2)c(-c2nnn[n-]2)n1 ZINC001579485031 1403784821 /nfs/dbraw/zinc/78/48/21/1403784821.db2.gz NRUVEIOBOXXABH-JOYOIKCWSA-N -1 1 342.384 2.078 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@H]2c2ccsc2)c(-c2nn[n-]n2)n1 ZINC001579485031 1403784826 /nfs/dbraw/zinc/78/48/26/1403784826.db2.gz NRUVEIOBOXXABH-JOYOIKCWSA-N -1 1 342.384 2.078 20 0 EEADMM CCOc1cc(C(=O)[N-]c2sc(CC)cc2-c2nn[nH]n2)on1 ZINC001590826187 1403901918 /nfs/dbraw/zinc/90/19/18/1403901918.db2.gz ZKRIXYQQEUZMTQ-UHFFFAOYSA-N -1 1 334.361 2.130 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591334711 1403906592 /nfs/dbraw/zinc/90/65/92/1403906592.db2.gz AQZOKUDSBUAFNN-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591334711 1403906597 /nfs/dbraw/zinc/90/65/97/1403906597.db2.gz AQZOKUDSBUAFNN-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001591760075 1403944037 /nfs/dbraw/zinc/94/40/37/1403944037.db2.gz YCIDSRGIFIBNAI-SSDOTTSWSA-N -1 1 345.329 2.345 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001591760075 1403944040 /nfs/dbraw/zinc/94/40/40/1403944040.db2.gz YCIDSRGIFIBNAI-SSDOTTSWSA-N -1 1 345.329 2.345 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc3c2CCCC3)nn1C ZINC001591796868 1403949550 /nfs/dbraw/zinc/94/95/50/1403949550.db2.gz CZBNRBCGMKEKRZ-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc3c2CCCC3)nn1C ZINC001591796868 1403949553 /nfs/dbraw/zinc/94/95/53/1403949553.db2.gz CZBNRBCGMKEKRZ-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2noc(-c3ccccc3)n2)n1 ZINC001591890537 1403969119 /nfs/dbraw/zinc/96/91/19/1403969119.db2.gz ABLXYWQCNMRAJM-SNVBAGLBSA-N -1 1 349.358 2.188 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2noc(-c3ccccc3)n2)n1 ZINC001591890537 1403969128 /nfs/dbraw/zinc/96/91/28/1403969128.db2.gz ABLXYWQCNMRAJM-SNVBAGLBSA-N -1 1 349.358 2.188 20 0 EEADMM Cc1cc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC001591988248 1403980201 /nfs/dbraw/zinc/98/02/01/1403980201.db2.gz NRLOUIAAXLARSC-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1cc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001591988248 1403980207 /nfs/dbraw/zinc/98/02/07/1403980207.db2.gz NRLOUIAAXLARSC-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1cc(Nc2ccc(-c3nnn[n-]3)nn2)nn1C1CCCCC1 ZINC001592057581 1403991697 /nfs/dbraw/zinc/99/16/97/1403991697.db2.gz YYTHESZUKDMASW-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1cc(Nc2ccc(-c3nn[n-]n3)nn2)nn1C1CCCCC1 ZINC001592057581 1403991702 /nfs/dbraw/zinc/99/17/02/1403991702.db2.gz YYTHESZUKDMASW-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(N)c1Cl ZINC001592128335 1403999861 /nfs/dbraw/zinc/99/98/61/1403999861.db2.gz XVBNRKHXALXELO-UHFFFAOYSA-N -1 1 348.819 2.402 20 0 EEADMM Cc1nsc(NC(=O)NC2(C(F)(F)F)CCC2)c1-c1nnn[n-]1 ZINC001592481063 1404702152 /nfs/dbraw/zinc/70/21/52/1404702152.db2.gz DEIMRHWTTVLAFL-UHFFFAOYSA-N -1 1 347.326 2.238 20 0 EEADMM Cc1nsc(NC(=O)NC2(C(F)(F)F)CCC2)c1-c1nn[n-]n1 ZINC001592481063 1404702157 /nfs/dbraw/zinc/70/21/57/1404702157.db2.gz DEIMRHWTTVLAFL-UHFFFAOYSA-N -1 1 347.326 2.238 20 0 EEADMM Cc1nsc(Nc2ccc(OCCCO)cc2)c1-c1nn[n-]n1 ZINC001592494065 1404703703 /nfs/dbraw/zinc/70/37/03/1404703703.db2.gz MTGYIYVUHTUBKT-UHFFFAOYSA-N -1 1 332.389 2.136 20 0 EEADMM Cc1nsc(Sc2nnc(C3CCC3)n2C)c1-c1nnn[n-]1 ZINC001592494108 1404704254 /nfs/dbraw/zinc/70/42/54/1404704254.db2.gz CAOJTLXFUQQHTG-UHFFFAOYSA-N -1 1 334.434 2.179 20 0 EEADMM Cc1nsc(Sc2nnc(C3CCC3)n2C)c1-c1nn[n-]n1 ZINC001592494108 1404704256 /nfs/dbraw/zinc/70/42/56/1404704256.db2.gz CAOJTLXFUQQHTG-UHFFFAOYSA-N -1 1 334.434 2.179 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001592500569 1404704917 /nfs/dbraw/zinc/70/49/17/1404704917.db2.gz ALOOXLSDBCMUMJ-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001592500569 1404704924 /nfs/dbraw/zinc/70/49/24/1404704924.db2.gz ALOOXLSDBCMUMJ-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)s2)c1-c1nn[n-]n1 ZINC001606014888 1404755011 /nfs/dbraw/zinc/75/50/11/1404755011.db2.gz RTKQHCOMOAQUSB-UHFFFAOYSA-N -1 1 343.294 2.231 20 0 EEADMM CN(CCn1cccn1)Cc1oc(Br)cc1C(=O)[O-] ZINC001606141992 1404767666 /nfs/dbraw/zinc/76/76/66/1404767666.db2.gz ZAWUUVKFXDIDCY-UHFFFAOYSA-N -1 1 328.166 2.069 20 0 EEADMM Cc1nsc(N2CCn3nc(C(C)(C)C)cc3C2)c1-c1nn[n-]n1 ZINC001606148170 1404769023 /nfs/dbraw/zinc/76/90/23/1404769023.db2.gz XMBSXALIEQFTJZ-UHFFFAOYSA-N -1 1 344.448 2.146 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)cc(F)c1F ZINC001606313098 1404789081 /nfs/dbraw/zinc/78/90/81/1404789081.db2.gz HZZGUXYFLJULDM-JOYOIKCWSA-N -1 1 332.289 2.069 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)cc(F)c1F ZINC001606313098 1404789084 /nfs/dbraw/zinc/78/90/84/1404789084.db2.gz HZZGUXYFLJULDM-JOYOIKCWSA-N -1 1 332.289 2.069 20 0 EEADMM COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(Cc2c(F)ccc(C)c2F)C1 ZINC001606393043 1404806917 /nfs/dbraw/zinc/80/69/17/1404806917.db2.gz GLUGUINGVPXFOH-GXFFZTMASA-N -1 1 327.327 2.111 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc2nsnc21 ZINC001644660215 1404819489 /nfs/dbraw/zinc/81/94/89/1404819489.db2.gz TWXCTHJUZZYLHE-UHFFFAOYSA-N -1 1 347.425 2.147 20 0 EEADMM CC(C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001718736868 1405722101 /nfs/dbraw/zinc/72/21/01/1405722101.db2.gz LDMMABBACHASMK-DZGCQCFKSA-N -1 1 343.427 2.302 20 0 EEADMM CCC[C@H](N[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000185048656 1406054143 /nfs/dbraw/zinc/05/41/43/1406054143.db2.gz VDUQATMMKSUGCI-AAEUAGOBSA-N -1 1 349.456 2.486 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)CCC1(C)CC1 ZINC001756347861 1408356100 /nfs/dbraw/zinc/35/61/00/1408356100.db2.gz ZNNNTDNOBSRJSA-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCCCCC(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC001756765595 1409298462 /nfs/dbraw/zinc/29/84/62/1409298462.db2.gz CBXGFASRLGLPBS-UHFFFAOYSA-N -1 1 331.416 2.256 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1ncncc1Cl ZINC001105175175 769248670 /nfs/dbraw/zinc/24/86/70/769248670.db2.gz XEELAWUJNUPAIQ-NSHDSACASA-N -1 1 335.795 2.097 20 0 EEADMM O=C(NCCNCc1csc(C2CCCC2)n1)c1ncccc1[O-] ZINC001126110787 770006021 /nfs/dbraw/zinc/00/60/21/770006021.db2.gz QWYGLTVUJJEUFA-UHFFFAOYSA-N -1 1 346.456 2.421 20 0 EEADMM O=C(NCCNCc1cc(-c2cccs2)on1)c1ncccc1[O-] ZINC001126131438 770036507 /nfs/dbraw/zinc/03/65/07/770036507.db2.gz WDZGBGALKVSYKF-UHFFFAOYSA-N -1 1 344.396 2.023 20 0 EEADMM C[C@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000921451432 773381593 /nfs/dbraw/zinc/38/15/93/773381593.db2.gz PREVBZPRYCGTJJ-LLVKDONJSA-N -1 1 349.884 2.337 20 0 EEADMM Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC001027844925 773440937 /nfs/dbraw/zinc/44/09/37/773440937.db2.gz YNIFZJQCPOJEMS-MRXNPFEDSA-N -1 1 325.412 2.490 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000942758689 783148323 /nfs/dbraw/zinc/14/83/23/783148323.db2.gz PZGHJBJKPYDAOU-ZDUSSCGKSA-N -1 1 345.424 2.226 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3c2cccc3F)co1 ZINC000893671741 778610018 /nfs/dbraw/zinc/61/00/18/778610018.db2.gz SLTHBAATHUOUBC-ZDUSSCGKSA-N -1 1 339.344 2.171 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CCCC2(CC2)C1 ZINC000940436814 778658040 /nfs/dbraw/zinc/65/80/40/778658040.db2.gz XXJDPDLNGZPGNU-ZIAGYGMSSA-N -1 1 343.427 2.088 20 0 EEADMM CCOCc1nc(Cl)cc(N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000893693947 778902608 /nfs/dbraw/zinc/90/26/08/778902608.db2.gz IIFTVUCOUVCBEF-UHFFFAOYSA-N -1 1 339.783 2.139 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C12CCC(CC1)CC2 ZINC000940803955 779311268 /nfs/dbraw/zinc/31/12/68/779311268.db2.gz QTSSWMIOVAUYRP-SHYRYGCCSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H](C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1)C1CCCC1 ZINC000940833174 779378731 /nfs/dbraw/zinc/37/87/31/779378731.db2.gz VVVMMSWYEJKPKD-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nc2c(NC3([P@](=O)([O-])O)Cc4ccccc4C3)cccn2n1 ZINC001167935431 780992264 /nfs/dbraw/zinc/99/22/64/780992264.db2.gz OPRNXDLUWDQFOS-UHFFFAOYSA-N -1 1 344.311 2.122 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(C/C(Cl)=C\Cl)C[C@H]21 ZINC001075722356 781212027 /nfs/dbraw/zinc/21/20/27/781212027.db2.gz PAZLYHGBXOKHKH-PLOHQCJQSA-N -1 1 342.226 2.253 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(C)CCCC1 ZINC001005074388 783303001 /nfs/dbraw/zinc/30/30/01/783303001.db2.gz IVWGXGQSGWZBMH-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)[C@@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805603466 783595885 /nfs/dbraw/zinc/59/58/85/783595885.db2.gz KPMXVLJNIFAUMO-JTQLQIEISA-N -1 1 330.127 2.183 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000805603637 783599476 /nfs/dbraw/zinc/59/94/76/783599476.db2.gz RCZYGCXHSZXDOV-VXGBXAGGSA-N -1 1 342.399 2.106 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@@H](C)O1 ZINC000816838538 784278601 /nfs/dbraw/zinc/27/86/01/784278601.db2.gz DZDNCSWTSVXDBS-VXGBXAGGSA-N -1 1 349.456 2.346 20 0 EEADMM O=C(/C=C\Sc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474562 784643446 /nfs/dbraw/zinc/64/34/46/784643446.db2.gz XPWDUMNLUIIWMB-VFFGBVLKSA-N -1 1 333.442 2.122 20 0 EEADMM O=C(CC1CC(c2ccccc2)C1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476336 784645492 /nfs/dbraw/zinc/64/54/92/784645492.db2.gz CJGFPWBCORGSMQ-ZALBZXLWSA-N -1 1 343.456 2.400 20 0 EEADMM O=C(C1CCC(C(F)(F)F)CC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480108 784687310 /nfs/dbraw/zinc/68/73/10/784687310.db2.gz PUXREZHYLLFZIH-RTBKNWGFSA-N -1 1 349.382 2.185 20 0 EEADMM CC(C)(C)c1cccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907481730 784688967 /nfs/dbraw/zinc/68/89/67/784688967.db2.gz YLBSQAQRQATXKK-ZDUSSCGKSA-N -1 1 331.445 2.428 20 0 EEADMM CC[C@H](CS(=O)(=O)[N-]c1cc(N2CCCC2=O)ccc1F)OC ZINC000817353078 784690404 /nfs/dbraw/zinc/69/04/04/784690404.db2.gz CKOMJLUJAZQYOM-GFCCVEGCSA-N -1 1 344.408 2.119 20 0 EEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1ccsc1 ZINC000995710450 784971038 /nfs/dbraw/zinc/97/10/38/784971038.db2.gz GQPZHHUCZQHFFE-AGIUHOORSA-N -1 1 343.408 2.024 20 0 EEADMM CC1(CC(=O)N2CC[C@@H]3[C@H](CCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000945991143 785242061 /nfs/dbraw/zinc/24/20/61/785242061.db2.gz GGLOXGNQQAESQZ-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM O=S(=O)([N-]CC[C@H](O)C1CC1)c1cc(Cl)sc1Cl ZINC000908306991 785326316 /nfs/dbraw/zinc/32/63/16/785326316.db2.gz OGGJKZOPXQVWGC-ZETCQYMHSA-N -1 1 330.258 2.494 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-]CC2(OC)CCCCCC2)c1 ZINC000908364558 785359633 /nfs/dbraw/zinc/35/96/33/785359633.db2.gz LNFFPCUQWXHHQP-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM CC1(C)C[C@@](C)(NC(=O)c2ccc3ccc(O)cc3c2[O-])C(=O)O1 ZINC000908448944 785424148 /nfs/dbraw/zinc/42/41/48/785424148.db2.gz MUCPWUWMEUJZFH-GOSISDBHSA-N -1 1 329.352 2.465 20 0 EEADMM Cc1ccoc1C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946127492 785618912 /nfs/dbraw/zinc/61/89/12/785618912.db2.gz XPCVKMBDFFPRNU-STQMWFEESA-N -1 1 343.383 2.017 20 0 EEADMM CCCN(CC(=O)[O-])C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000908811796 785744869 /nfs/dbraw/zinc/74/48/69/785744869.db2.gz PYAVDRXAGOXRTQ-KRWDZBQOSA-N -1 1 347.459 2.330 20 0 EEADMM CC(C)(CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000908816993 785752517 /nfs/dbraw/zinc/75/25/17/785752517.db2.gz NSCQBZRNTDJMDD-ZDUSSCGKSA-N -1 1 336.407 2.016 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N(C)C(C)(C)C(=O)[O-])N2CCCC2)o1 ZINC000908924180 785872482 /nfs/dbraw/zinc/87/24/82/785872482.db2.gz FPGUULLBBKFHII-CYBMUJFWSA-N -1 1 337.420 2.230 20 0 EEADMM CN(C(=O)c1cc([C@H]2CCCN2C)n[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909000663 785929683 /nfs/dbraw/zinc/92/96/83/785929683.db2.gz BIPPJTOBVCJRHX-HZPDHXFCSA-N -1 1 342.399 2.074 20 0 EEADMM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000910029756 786400060 /nfs/dbraw/zinc/40/00/60/786400060.db2.gz FSAKSSJBYNXZCA-QGZVFWFLSA-N -1 1 341.411 2.449 20 0 EEADMM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000910115546 786462072 /nfs/dbraw/zinc/46/20/72/786462072.db2.gz ZDQLENJWAXGBDO-LBPRGKRZSA-N -1 1 332.385 2.419 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCC2CCc3ccccc3CC2)C1 ZINC000910191005 786522923 /nfs/dbraw/zinc/52/29/23/786522923.db2.gz MRABKNLIBIOCDS-GOSISDBHSA-N -1 1 344.455 2.094 20 0 EEADMM O=C(CN1CCC[C@@H](C(=O)[O-])C1)Nc1cccc(C2CCOCC2)c1 ZINC000910235369 786527327 /nfs/dbraw/zinc/52/73/27/786527327.db2.gz GBTWESSEFBYGSV-MRXNPFEDSA-N -1 1 346.427 2.316 20 0 EEADMM O=C(Cc1nsc2ccccc12)OCCC[N-]C(=O)C(F)(F)F ZINC000821316259 786675230 /nfs/dbraw/zinc/67/52/30/786675230.db2.gz ACMORPDMCOANLW-UHFFFAOYSA-N -1 1 346.330 2.451 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2cnoc2C2CC2)c1 ZINC000821353072 786710951 /nfs/dbraw/zinc/71/09/51/786710951.db2.gz QDMXTQKRTIPBGA-HSZRJFAPSA-N -1 1 335.381 2.412 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822327802 787130509 /nfs/dbraw/zinc/13/05/09/787130509.db2.gz KHYFNWMJWPPARY-VIFPVBQESA-N -1 1 330.373 2.038 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822327802 787130515 /nfs/dbraw/zinc/13/05/15/787130515.db2.gz KHYFNWMJWPPARY-VIFPVBQESA-N -1 1 330.373 2.038 20 0 EEADMM CN(C)[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000911104703 787245195 /nfs/dbraw/zinc/24/51/95/787245195.db2.gz FUDBVGPNTKQKLL-PMPSAXMXSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000911105193 787245352 /nfs/dbraw/zinc/24/53/52/787245352.db2.gz RCHCFWAGAPZNEG-AWEZNQCLSA-N -1 1 348.374 2.387 20 0 EEADMM CN(C)[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000911193128 787290819 /nfs/dbraw/zinc/29/08/19/787290819.db2.gz IYGXBUBISCEEGT-KRWDZBQOSA-N -1 1 344.386 2.486 20 0 EEADMM CC(C)(CN1CCOCC1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911387249 787419635 /nfs/dbraw/zinc/41/96/35/787419635.db2.gz NPIZVOQBCORVHJ-UHFFFAOYSA-N -1 1 345.399 2.163 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000911441886 787453139 /nfs/dbraw/zinc/45/31/39/787453139.db2.gz SUOSKIMTWPDMHT-KRWDZBQOSA-N -1 1 346.427 2.020 20 0 EEADMM CCC[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000911568579 787544515 /nfs/dbraw/zinc/54/45/15/787544515.db2.gz NEZZDXIUROCIPB-MRXNPFEDSA-N -1 1 330.428 2.364 20 0 EEADMM CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000911747226 787684742 /nfs/dbraw/zinc/68/47/42/787684742.db2.gz ZYOFEWSFHNFUBZ-UHFFFAOYSA-N -1 1 341.411 2.374 20 0 EEADMM CSc1nc(CNC(=O)c2ccnc(NC3CCC3)c2)cc(=O)[n-]1 ZINC000912240769 788051902 /nfs/dbraw/zinc/05/19/02/788051902.db2.gz OBGRNDFQPRUPDI-UHFFFAOYSA-N -1 1 345.428 2.194 20 0 EEADMM CSc1nc(CNC(=O)CCOc2cccc(F)c2)cc(=O)[n-]1 ZINC000912246486 788077111 /nfs/dbraw/zinc/07/71/11/788077111.db2.gz FOQMTCCSFBCZDL-UHFFFAOYSA-N -1 1 337.376 2.129 20 0 EEADMM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(C)ccc2C)c1[O-] ZINC001032357545 788220557 /nfs/dbraw/zinc/22/05/57/788220557.db2.gz VFGOKNGWENDHHQ-HOTGVXAUSA-N -1 1 340.427 2.139 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N[C@@H]3CCCC[C@H]3O)c2)o1 ZINC000824697984 788264779 /nfs/dbraw/zinc/26/47/79/788264779.db2.gz KJVQPZWSODLUIQ-GDBMZVCRSA-N -1 1 329.352 2.498 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC000912859688 788416160 /nfs/dbraw/zinc/41/61/60/788416160.db2.gz CWLUOFIZPTZIPZ-HNNXBMFYSA-N -1 1 345.472 2.232 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1nn[n-]n1 ZINC000912859981 788416664 /nfs/dbraw/zinc/41/66/64/788416664.db2.gz GJYXFRSYJKYLBY-ZDUSSCGKSA-N -1 1 342.428 2.419 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912860378 788418194 /nfs/dbraw/zinc/41/81/94/788418194.db2.gz NOEIOCCCWZAEKZ-KBPBESRZSA-N -1 1 333.461 2.379 20 0 EEADMM CSCC[C@H](NC(=O)c1cc2ccccc2nc1C)c1nn[n-]n1 ZINC000912860474 788418982 /nfs/dbraw/zinc/41/89/82/788418982.db2.gz VTQHKHURPOILGD-AWEZNQCLSA-N -1 1 342.428 2.281 20 0 EEADMM COc1cccc([C@H](C)CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912861782 788422208 /nfs/dbraw/zinc/42/22/08/788422208.db2.gz XVJWPJJOAIUQBB-RISCZKNCSA-N -1 1 349.460 2.313 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccccc1SC)c1nn[n-]n1 ZINC000912862357 788424255 /nfs/dbraw/zinc/42/42/55/788424255.db2.gz NOKBBVLZCLWCRO-NSHDSACASA-N -1 1 337.474 2.075 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825060391 788425549 /nfs/dbraw/zinc/42/55/49/788425549.db2.gz PWYFNJGJXMDCBY-GWCFXTLKSA-N -1 1 332.408 2.133 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825060391 788425552 /nfs/dbraw/zinc/42/55/52/788425552.db2.gz PWYFNJGJXMDCBY-GWCFXTLKSA-N -1 1 332.408 2.133 20 0 EEADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])CC=CC1 ZINC001005847277 788455553 /nfs/dbraw/zinc/45/55/53/788455553.db2.gz RPADHJDBHMIFNO-MCIONIFRSA-N -1 1 341.411 2.005 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(Cc2ccccc2)CC1 ZINC000913437066 788872943 /nfs/dbraw/zinc/87/29/43/788872943.db2.gz BLSQGOWRLFFKQI-INIZCTEOSA-N -1 1 333.395 2.428 20 0 EEADMM CC(C)(C)c1ncsc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000913438925 788876008 /nfs/dbraw/zinc/87/60/08/788876008.db2.gz ZMLHVCKSCVXGGP-NSHDSACASA-N -1 1 342.428 2.473 20 0 EEADMM CCC(CC)(C(=O)N=c1ccnc2n(C)[n-]cc1-2)C(=O)OC(C)(C)C ZINC000844503521 789163480 /nfs/dbraw/zinc/16/34/80/789163480.db2.gz UYUVTZWVSDSKMG-UHFFFAOYSA-N -1 1 346.431 2.428 20 0 EEADMM CCC(=O)N[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000057734809 789672486 /nfs/dbraw/zinc/67/24/86/789672486.db2.gz JMWNHUITUFNZKA-UHFFFAOYSA-N -1 1 330.715 2.078 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2ccc(C)cc2)c1 ZINC001144453847 789842392 /nfs/dbraw/zinc/84/23/92/789842392.db2.gz HFZZOIPGQRWIIC-LBPRGKRZSA-N -1 1 348.424 2.351 20 0 EEADMM O=C(NCC1(NC(=O)c2cccc(F)c2)CCC1)c1ncccc1[O-] ZINC001062839106 789938014 /nfs/dbraw/zinc/93/80/14/789938014.db2.gz IFOQQRBWCFYIHL-UHFFFAOYSA-N -1 1 343.358 2.009 20 0 EEADMM O=C(NCC1(NC(=O)c2ccc(F)cc2)CCC1)c1ncccc1[O-] ZINC001062839676 789938981 /nfs/dbraw/zinc/93/89/81/789938981.db2.gz ZTJUWQJYKPIYMN-UHFFFAOYSA-N -1 1 343.358 2.009 20 0 EEADMM O=C(CCCC1CC1)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840032 789939443 /nfs/dbraw/zinc/93/94/43/789939443.db2.gz OHIOWEDXQHGVLE-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM COc1ccnc(O[C@H]2CCN(Cc3c(F)cc([O-])cc3F)C2)n1 ZINC001144567027 789948137 /nfs/dbraw/zinc/94/81/37/789948137.db2.gz AGAFJQCYPYOIFK-NSHDSACASA-N -1 1 337.326 2.122 20 0 EEADMM COc1cccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)n1 ZINC001144677204 790030929 /nfs/dbraw/zinc/03/09/29/790030929.db2.gz GKOPXGPVPTVASD-UHFFFAOYSA-N -1 1 333.413 2.172 20 0 EEADMM Cc1coc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])c1 ZINC000946196783 790060589 /nfs/dbraw/zinc/06/05/89/790060589.db2.gz ULTAHZRDBIXDJW-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1ccc(N[C@H](C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001063881280 791877235 /nfs/dbraw/zinc/87/72/35/791877235.db2.gz QQUDJAYBHQNWOX-KGLIPLIRSA-N -1 1 341.415 2.238 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2C2CC2)c1 ZINC001148478503 792452485 /nfs/dbraw/zinc/45/24/85/792452485.db2.gz GSXCBDQFWGBOPI-UHFFFAOYSA-N -1 1 346.408 2.430 20 0 EEADMM CC(=O)NCCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148805920 792718921 /nfs/dbraw/zinc/71/89/21/792718921.db2.gz IGKLXJSIPIPGPO-UHFFFAOYSA-N -1 1 332.322 2.447 20 0 EEADMM O=C([N-]C1(CNC(=O)c2ccc(F)c(F)c2F)CCC1)C(F)F ZINC001064267846 792781544 /nfs/dbraw/zinc/78/15/44/792781544.db2.gz CAMBDOVSHZKBQC-UHFFFAOYSA-N -1 1 336.260 2.138 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCc2ncccc2C1 ZINC001148989614 792846899 /nfs/dbraw/zinc/84/68/99/792846899.db2.gz QXOWAZPNZNQRLJ-UHFFFAOYSA-N -1 1 349.184 2.454 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2CCN(c3cccc(F)n3)[C@H]2C1 ZINC001064678805 793558443 /nfs/dbraw/zinc/55/84/43/793558443.db2.gz VUXNCTOBEMFBCS-OLZOCXBDSA-N -1 1 342.374 2.062 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2cccc(Cl)c2)CC1 ZINC000913742522 794201426 /nfs/dbraw/zinc/20/14/26/794201426.db2.gz HCEUPRWOURZNCU-UHFFFAOYSA-N -1 1 331.807 2.291 20 0 EEADMM Cc1cc(OCC(=O)N2CCC(c3nn[n-]n3)CC2)cc(C)c1Cl ZINC000913743891 794207583 /nfs/dbraw/zinc/20/75/83/794207583.db2.gz QBMCUQSZUQBMGH-UHFFFAOYSA-N -1 1 349.822 2.255 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3cncc(Br)c3)no2)[nH]n1 ZINC001212430984 795462671 /nfs/dbraw/zinc/46/26/71/795462671.db2.gz AFWCPSGUNGGJCE-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3cncc(Br)c3)no2)n[n-]1 ZINC001212430984 795462675 /nfs/dbraw/zinc/46/26/75/795462675.db2.gz AFWCPSGUNGGJCE-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3cncc(Br)c3)no2)[n-]n1 ZINC001212430984 795462681 /nfs/dbraw/zinc/46/26/81/795462681.db2.gz AFWCPSGUNGGJCE-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H](C)[C@@H](c2ccccc2)C1 ZINC000915022456 795560679 /nfs/dbraw/zinc/56/06/79/795560679.db2.gz HFTWLPORPNAHCX-YPMHNXCESA-N -1 1 343.383 2.162 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536141 795591873 /nfs/dbraw/zinc/59/18/73/795591873.db2.gz RYQDZAFEQLKYRL-ORAYPTAESA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)CCC(C)(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080328823 795859006 /nfs/dbraw/zinc/85/90/06/795859006.db2.gz CHRWJIIPZDMDAA-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1cc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])ccc1F ZINC001078101476 795913766 /nfs/dbraw/zinc/91/37/66/795913766.db2.gz FJCIFCRNNBUAME-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM O=C(NCCCNc1ncnc2ccsc21)c1ncccc1[O-] ZINC001094375996 796184488 /nfs/dbraw/zinc/18/44/88/796184488.db2.gz ZHMDTFYCHVGJCM-UHFFFAOYSA-N -1 1 329.385 2.024 20 0 EEADMM Cc1cc(C)cc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001078353331 796324173 /nfs/dbraw/zinc/32/41/73/796324173.db2.gz WPJVYLIKWVIMIW-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM CCC(=O)N1CCC[C@H]1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001001983125 797423806 /nfs/dbraw/zinc/42/38/06/797423806.db2.gz UBSSHIJPOJCLIX-ZDUSSCGKSA-N -1 1 348.447 2.087 20 0 EEADMM Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061074698 797925041 /nfs/dbraw/zinc/92/50/41/797925041.db2.gz IBLDWPSATUZTDB-WDEREUQCSA-N -1 1 333.417 2.100 20 0 EEADMM Cc1cnc(C)nc1N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001061076756 797941431 /nfs/dbraw/zinc/94/14/31/797941431.db2.gz UEJLNJBIKPHYDR-ZIAGYGMSSA-N -1 1 341.415 2.347 20 0 EEADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(N)ccc1OC ZINC001174994853 797953174 /nfs/dbraw/zinc/95/31/74/797953174.db2.gz XZSLWUMRENIYGW-UHFFFAOYSA-N -1 1 326.349 2.226 20 0 EEADMM CSc1ccc(O)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001168694065 797997374 /nfs/dbraw/zinc/99/73/74/797997374.db2.gz MOZFKNYFZQMHFB-AWEZNQCLSA-N -1 1 341.396 2.147 20 0 EEADMM O=S(=O)([N-][C@H](CO)C1CCCC1)c1ccc(Cl)nc1Cl ZINC000810115025 798144878 /nfs/dbraw/zinc/14/48/78/798144878.db2.gz BPOKBASPOCJMOH-SECBINFHSA-N -1 1 339.244 2.218 20 0 EEADMM O=C(Cc1nn[n-]n1)N1CCC(c2csc3ccccc23)CC1 ZINC001176842330 798598222 /nfs/dbraw/zinc/59/82/22/798598222.db2.gz HSRQEJKYESTCKC-UHFFFAOYSA-N -1 1 327.413 2.363 20 0 EEADMM CC(C)c1nsc(N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)n1 ZINC001065245009 798818720 /nfs/dbraw/zinc/81/87/20/798818720.db2.gz IYBHPHXAIUCZOF-INIZCTEOSA-N -1 1 347.444 2.161 20 0 EEADMM CCCC(=O)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003165327 799329839 /nfs/dbraw/zinc/32/98/39/799329839.db2.gz YIOBOAFDXLUJGI-HUUCEWRRSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NN2CCCC2=O)c([O-])c1 ZINC000780701418 799565671 /nfs/dbraw/zinc/56/56/71/799565671.db2.gz XXWCRGKCGQCJQP-UHFFFAOYSA-N -1 1 335.360 2.006 20 0 EEADMM CC[C@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066089419 799983890 /nfs/dbraw/zinc/98/38/90/799983890.db2.gz NYTLMFZRAWPGIK-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000827968208 800552210 /nfs/dbraw/zinc/55/22/10/800552210.db2.gz ZPBJEKKEMMXIJY-BRWVUGGUSA-N -1 1 349.394 2.057 20 0 EEADMM CN(C(=O)C1CCCC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001003972587 800666731 /nfs/dbraw/zinc/66/67/31/800666731.db2.gz WKFOJYGBFLBSOB-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(NCc1nn[n-]n1)[C@H]1CC[C@H](C(=O)c2ccc(Cl)cc2)CC1 ZINC001181445506 800789694 /nfs/dbraw/zinc/78/96/94/800789694.db2.gz AMSPKRUXAIFPKI-UMSPYCQHSA-N -1 1 347.806 2.159 20 0 EEADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)[C@@H]1COc2ccccc2O1 ZINC001181896856 800948825 /nfs/dbraw/zinc/94/88/25/800948825.db2.gz SFPMJRKHYFEQGZ-HNNXBMFYSA-N -1 1 337.335 2.356 20 0 EEADMM O=C(CCc1cccc2cnccc21)NCCCC[P@@](=O)([O-])O ZINC001182402910 801153559 /nfs/dbraw/zinc/15/35/59/801153559.db2.gz IQSMBNFEHHINBF-UHFFFAOYSA-N -1 1 336.328 2.242 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2c[nH]c3c2cccc3F)n1 ZINC001182555125 801231678 /nfs/dbraw/zinc/23/16/78/801231678.db2.gz DMNAYXCAICNWOZ-UHFFFAOYSA-N -1 1 330.319 2.388 20 0 EEADMM CSc1nc(NC(=O)C(C)(C)OC(=O)c2ccccc2)cc(=O)[n-]1 ZINC001182721874 801305748 /nfs/dbraw/zinc/30/57/48/801305748.db2.gz NWNMRJOKTRJAEF-UHFFFAOYSA-N -1 1 347.396 2.478 20 0 EEADMM COc1ccc([C@@H](C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)C(C)C)cc1 ZINC001182991093 801418782 /nfs/dbraw/zinc/41/87/82/801418782.db2.gz BLCMLPALTVKHOX-LBPRGKRZSA-N -1 1 341.371 2.445 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1C=CN=C2N=CC=C21 ZINC001183580539 801657610 /nfs/dbraw/zinc/65/76/10/801657610.db2.gz CXADIERDMHYWCO-MRVPVSSYSA-N -1 1 333.145 2.041 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)[C@H]1CC12CCC(F)(F)CC2 ZINC001183591353 801662362 /nfs/dbraw/zinc/66/23/62/801662362.db2.gz ABFFBSUJOXQEJK-SNVBAGLBSA-N -1 1 325.292 2.276 20 0 EEADMM CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(F)c1 ZINC001185047815 802321936 /nfs/dbraw/zinc/32/19/36/802321936.db2.gz SWYZFVTUNBRZSJ-UHFFFAOYSA-N -1 1 331.756 2.469 20 0 EEADMM C[C@H]1CCN(C(=O)CC(C)(C)C)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004746622 802740626 /nfs/dbraw/zinc/74/06/26/802740626.db2.gz BIUHCNMBSNDCSM-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001004860109 803096292 /nfs/dbraw/zinc/09/62/92/803096292.db2.gz FNAUAIPORFRNGD-JSGCOSHPSA-N -1 1 349.479 2.196 20 0 EEADMM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000867002655 803916861 /nfs/dbraw/zinc/91/68/61/803916861.db2.gz SOESEZHFOHURIU-UHFFFAOYSA-N -1 1 334.388 2.374 20 0 EEADMM C[C@@H](CN(C)c1nc2ccccc2o1)NC(=O)c1ncccc1[O-] ZINC001108933955 804703587 /nfs/dbraw/zinc/70/35/87/804703587.db2.gz ZJPGWGHQBBQZPK-NSHDSACASA-N -1 1 326.356 2.183 20 0 EEADMM COCCn1c(=O)cc([O-])nc1SCCCCOC(C)(C)C ZINC000788786191 807701361 /nfs/dbraw/zinc/70/13/61/807701361.db2.gz WYDJPZGXSUFONJ-UHFFFAOYSA-N -1 1 330.450 2.283 20 0 EEADMM C[C@@H](Nc1cnc2ccccc2n1)[C@H](C)NC(=O)c1ncccc1[O-] ZINC001112984082 807764276 /nfs/dbraw/zinc/76/42/76/807764276.db2.gz SIODGIFHXXZEFV-NEPJUHHUSA-N -1 1 337.383 2.349 20 0 EEADMM Cc1cnn(-c2c(C(=O)Nc3nc(Cl)ccc3[O-])c(C)nn2C)c1 ZINC000790047708 808376618 /nfs/dbraw/zinc/37/66/18/808376618.db2.gz KZINFCYSABQHIN-UHFFFAOYSA-N -1 1 346.778 2.229 20 0 EEADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CC1 ZINC000790224865 808546991 /nfs/dbraw/zinc/54/69/91/808546991.db2.gz SAXVHTJSAXBCHK-LLVKDONJSA-N -1 1 335.784 2.099 20 0 EEADMM COc1nc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc2ccccc21 ZINC000791163838 809088130 /nfs/dbraw/zinc/08/81/30/809088130.db2.gz FXSYLQQKIDBDGZ-UHFFFAOYSA-N -1 1 333.351 2.151 20 0 EEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791167567 809100312 /nfs/dbraw/zinc/10/03/12/809100312.db2.gz RXDGHZBSLGGEBO-SNVBAGLBSA-N -1 1 330.775 2.401 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)CCOc3ccc(Cl)cc3)ccnc1-2 ZINC000791285743 809172797 /nfs/dbraw/zinc/17/27/97/809172797.db2.gz JKGGWXKRKCBXDT-UHFFFAOYSA-N -1 1 330.775 2.403 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nc(C2CCC2)ns1 ZINC001113575347 809273562 /nfs/dbraw/zinc/27/35/62/809273562.db2.gz SXUKZPSAPJKPDZ-SNVBAGLBSA-N -1 1 347.444 2.161 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncnc2ccsc21 ZINC001113575357 809273678 /nfs/dbraw/zinc/27/36/78/809273678.db2.gz TZUXOLMEQBAKHD-SNVBAGLBSA-N -1 1 343.412 2.047 20 0 EEADMM O=C(OCCO[C@H]1CCCCO1)c1nn(-c2ccccc2)cc1[O-] ZINC000791534227 809288199 /nfs/dbraw/zinc/28/81/99/809288199.db2.gz DRBLMCMREDLUQM-HNNXBMFYSA-N -1 1 332.356 2.278 20 0 EEADMM CCc1cc2c(COC(=O)[C@@H](CC)C(=O)OC)cc(=O)oc2cc1[O-] ZINC000791632391 809355120 /nfs/dbraw/zinc/35/51/20/809355120.db2.gz MSBZDOQWCUXAPO-LBPRGKRZSA-N -1 1 348.351 2.303 20 0 EEADMM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc2cncn2c1 ZINC000793109715 810147589 /nfs/dbraw/zinc/14/75/89/810147589.db2.gz MWOVWEHZPOKUFN-UHFFFAOYSA-N -1 1 341.801 2.168 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])Nc1cnc(F)cn1 ZINC001114089432 810321954 /nfs/dbraw/zinc/32/19/54/810321954.db2.gz IVJZHKWUQKAGRS-LBPRGKRZSA-N -1 1 347.394 2.315 20 0 EEADMM CS[C@@H](C)C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806018980 811707958 /nfs/dbraw/zinc/70/79/58/811707958.db2.gz GVVFHXPFARZDSS-NSHDSACASA-N -1 1 333.413 2.390 20 0 EEADMM CCC1CCC(N(CCO)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806489969 811878950 /nfs/dbraw/zinc/87/89/50/811878950.db2.gz KAZKXMSPORJXLN-UHFFFAOYSA-N -1 1 345.447 2.137 20 0 EEADMM COc1cccc2c1CC[C@H]2NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806486548 811897956 /nfs/dbraw/zinc/89/79/56/811897956.db2.gz XSCQDUDLXALPEV-CQSZACIVSA-N -1 1 337.383 2.159 20 0 EEADMM C[C@H](CC(=O)OCc1ccccc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000807149547 812113677 /nfs/dbraw/zinc/11/36/77/812113677.db2.gz DLNSAHDGCLXERB-CYBMUJFWSA-N -1 1 341.363 2.213 20 0 EEADMM Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3nn[n-]n3)cc12 ZINC001131169614 812503263 /nfs/dbraw/zinc/50/32/63/812503263.db2.gz KWCDZWZDHIKLEM-UHFFFAOYSA-N -1 1 339.384 2.185 20 0 EEADMM Brc1cccc(CCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001573278980 946628684 /nfs/dbraw/zinc/62/86/84/946628684.db2.gz ANLJWGYEALJZNM-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1cccc(CCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001573278980 946628690 /nfs/dbraw/zinc/62/86/90/946628690.db2.gz ANLJWGYEALJZNM-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000326107410 971268360 /nfs/dbraw/zinc/26/83/60/971268360.db2.gz XXHAFKAHTLJQDQ-GFCCVEGCSA-N -1 1 331.303 2.029 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825704581 947294794 /nfs/dbraw/zinc/29/47/94/947294794.db2.gz KBUBMYUNADXHEF-JTQLQIEISA-N -1 1 340.387 2.145 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825704581 947294809 /nfs/dbraw/zinc/29/48/09/947294809.db2.gz KBUBMYUNADXHEF-JTQLQIEISA-N -1 1 340.387 2.145 20 0 EEADMM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000825717186 947297774 /nfs/dbraw/zinc/29/77/74/947297774.db2.gz IPZMFJKJEKQGRD-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000825717186 947297784 /nfs/dbraw/zinc/29/77/84/947297784.db2.gz IPZMFJKJEKQGRD-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826343794 947995926 /nfs/dbraw/zinc/99/59/26/947995926.db2.gz NMUKUBBIWXISPA-JKOKRWQUSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826343794 947995932 /nfs/dbraw/zinc/99/59/32/947995932.db2.gz NMUKUBBIWXISPA-JKOKRWQUSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c1-c1nnn[n-]1 ZINC000826346953 948046368 /nfs/dbraw/zinc/04/63/68/948046368.db2.gz ZMIOWAAPKQQADQ-CHWSQXEVSA-N -1 1 346.435 2.427 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c1-c1nn[n-]n1 ZINC000826346953 948046375 /nfs/dbraw/zinc/04/63/75/948046375.db2.gz ZMIOWAAPKQQADQ-CHWSQXEVSA-N -1 1 346.435 2.427 20 0 EEADMM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000328360750 971466411 /nfs/dbraw/zinc/46/64/11/971466411.db2.gz ZZIJBFDZNQWUOG-LBPRGKRZSA-N -1 1 331.303 2.029 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC001573730382 948580596 /nfs/dbraw/zinc/58/05/96/948580596.db2.gz PMXNENRGJPQOMB-SECBINFHSA-N -1 1 329.385 2.054 20 0 EEADMM CC(C)(/C=C\Cl)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001570928517 948735178 /nfs/dbraw/zinc/73/51/78/948735178.db2.gz ZYXSWBXCHYUVQT-WAYWQWQTSA-N -1 1 326.813 2.259 20 0 EEADMM COc1cccc(F)c1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001570930819 948823102 /nfs/dbraw/zinc/82/31/02/948823102.db2.gz PMIIATWGSKTWBD-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM Cc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001570934760 948952637 /nfs/dbraw/zinc/95/26/37/948952637.db2.gz IETOSGCIBYXKBD-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM Cc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001570934760 948952652 /nfs/dbraw/zinc/95/26/52/948952652.db2.gz IETOSGCIBYXKBD-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001570948894 949626526 /nfs/dbraw/zinc/62/65/26/949626526.db2.gz QWNLIPDAIHHBIR-VIFPVBQESA-N -1 1 347.425 2.194 20 0 EEADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c1 ZINC001589722972 950434949 /nfs/dbraw/zinc/43/49/49/950434949.db2.gz LDQAZNJPCHIKDL-XIKOKIGWSA-N -1 1 347.415 2.016 20 0 EEADMM O=C([O-])CN(CC1CC1)C(=O)c1cccc(Br)c1O ZINC001595072032 951602393 /nfs/dbraw/zinc/60/23/93/951602393.db2.gz ISWODWWKRVGRQD-UHFFFAOYSA-N -1 1 328.162 2.092 20 0 EEADMM O=C([O-])COCCN[C@H](c1nc(Br)cs1)C1CC1 ZINC001595113172 951922286 /nfs/dbraw/zinc/92/22/86/951922286.db2.gz FAIBHLPOUYANDX-JTQLQIEISA-N -1 1 335.223 2.048 20 0 EEADMM C[C@H](Cc1ccsc1)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001575201079 952500715 /nfs/dbraw/zinc/50/07/15/952500715.db2.gz GYFYMSRKPBKMCE-SECBINFHSA-N -1 1 329.389 2.076 20 0 EEADMM C[C@H](Cc1ccsc1)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001575201079 952500724 /nfs/dbraw/zinc/50/07/24/952500724.db2.gz GYFYMSRKPBKMCE-SECBINFHSA-N -1 1 329.389 2.076 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC001589273602 953437365 /nfs/dbraw/zinc/43/73/65/953437365.db2.gz DFVOCXDWSIFJKB-MRVWCRGKSA-N -1 1 339.461 2.103 20 0 EEADMM COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2ccc(C(=O)[O-])cc2)O1 ZINC001593825223 955099392 /nfs/dbraw/zinc/09/93/92/955099392.db2.gz GNSPKFOPKQDWPV-SRMUXQRQSA-N -1 1 333.384 2.068 20 0 EEADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(Cl)n1 ZINC000873645971 956094421 /nfs/dbraw/zinc/09/44/21/956094421.db2.gz UFUJAYLJECSSOL-UONOGXRCSA-N -1 1 348.834 2.467 20 0 EEADMM C[C@H](N[C@@H]1CCCCN(CC(=O)[O-])C1=O)c1nccc2ccccc21 ZINC001589123535 956146848 /nfs/dbraw/zinc/14/68/48/956146848.db2.gz LMGPJTNQJIAXNN-XJKSGUPXSA-N -1 1 341.411 2.351 20 0 EEADMM CO[C@](C)(C(=O)[O-])C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001593931784 956192364 /nfs/dbraw/zinc/19/23/64/956192364.db2.gz RUMWMRWSKIFIDW-LBPRGKRZSA-N -1 1 332.143 2.298 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000092925480 958198976 /nfs/dbraw/zinc/19/89/76/958198976.db2.gz DUGFRBWCNRMKEF-MWLCHTKSSA-N -1 1 330.837 2.155 20 0 EEADMM Cc1cccc(S(=O)(=O)CCCN2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594409805 958941053 /nfs/dbraw/zinc/94/10/53/958941053.db2.gz NQDDNAHSPLIFAJ-HUUCEWRRSA-N -1 1 339.457 2.344 20 0 EEADMM COc1cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(Br)cn1 ZINC001574185128 962825538 /nfs/dbraw/zinc/82/55/38/962825538.db2.gz OOEYAJBIMIYQKP-ONGXEEELSA-N -1 1 343.221 2.395 20 0 EEADMM O=C([O-])c1coc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000303624942 963109370 /nfs/dbraw/zinc/10/93/70/963109370.db2.gz ZDYHBFIXBWAWDN-OAHLLOKOSA-N -1 1 328.368 2.372 20 0 EEADMM CC(C)(CCc1ccccc1)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315522985 963911399 /nfs/dbraw/zinc/91/13/99/963911399.db2.gz AKRMCKSWAJDPRV-UHFFFAOYSA-N -1 1 338.385 2.063 20 0 EEADMM O=C([O-])CN1CCCC[C@H](NCc2ccc(Cl)c(F)c2)C1=O ZINC001606258250 973609172 /nfs/dbraw/zinc/60/91/72/973609172.db2.gz ASQIXFFLIWVGFR-ZDUSSCGKSA-N -1 1 328.771 2.034 20 0 EEADMM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001606409337 973861596 /nfs/dbraw/zinc/86/15/96/973861596.db2.gz BBELPXHPZOQZJB-JTNHKYCSSA-N -1 1 329.356 2.464 20 0 EEADMM CC[C@@H]1CN(C)CCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603625104 973932944 /nfs/dbraw/zinc/93/29/44/973932944.db2.gz SIYSOTYKCTZJTI-WQVCFCJDSA-N -1 1 331.416 2.035 20 0 EEADMM CC(C)c1noc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001592095851 976862081 /nfs/dbraw/zinc/86/20/81/976862081.db2.gz YTJRNDNSMGNLEI-UONOGXRCSA-N -1 1 331.372 2.199 20 0 EEADMM CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829161049 978994860 /nfs/dbraw/zinc/99/48/60/978994860.db2.gz MCQKEJUBNVGNSP-ZIAGYGMSSA-N -1 1 333.432 2.419 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000832847644 979049383 /nfs/dbraw/zinc/04/93/83/979049383.db2.gz QJLCFAIASWDGIW-SNVBAGLBSA-N -1 1 341.289 2.335 20 0 EEADMM CN(CCCC(=O)[O-])C(=O)c1cc(Br)cc2[nH]cnc21 ZINC000901425152 980270466 /nfs/dbraw/zinc/27/04/66/980270466.db2.gz UIBNRYIHUSYJGR-UHFFFAOYSA-N -1 1 340.177 2.262 20 0 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/nfs/dbraw/zinc/65/36/78/576653678.db2.gz SWJFMDGXNJRUAC-NSHDSACASA-N -1 1 331.372 2.038 20 0 EEADMM O=C(OCCN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362334 577026075 /nfs/dbraw/zinc/02/60/75/577026075.db2.gz LTEUGDPNUSLLCD-UHFFFAOYSA-N -1 1 332.139 2.005 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cncc([O-])c2)C1 ZINC000732278151 577163959 /nfs/dbraw/zinc/16/39/59/577163959.db2.gz ZXPLGVZJGVHJRH-LBPRGKRZSA-N -1 1 335.404 2.164 20 0 EEADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1N1C(=O)CCC1=O ZINC000733002502 577199856 /nfs/dbraw/zinc/19/98/56/577199856.db2.gz JJHFZWQWVYLWRL-UHFFFAOYSA-N -1 1 325.324 2.001 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC[C@H](C)C(C)(C)C ZINC000734442321 577297413 /nfs/dbraw/zinc/29/74/13/577297413.db2.gz MZOSLVKWCONUBS-LBPRGKRZSA-N -1 1 342.443 2.481 20 0 EEADMM CC(C)(C)c1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000773161510 577320185 /nfs/dbraw/zinc/32/01/85/577320185.db2.gz ZCDNLBXCZOCDKD-ZDUSSCGKSA-N -1 1 331.445 2.428 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773582201 577352766 /nfs/dbraw/zinc/35/27/66/577352766.db2.gz NNUADNJPDHGVRS-UHFFFAOYSA-N -1 1 349.362 2.358 20 0 EEADMM COc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2F)c(OC)c1 ZINC000773582218 577352774 /nfs/dbraw/zinc/35/27/74/577352774.db2.gz OIUAZIRSVQMHQM-UHFFFAOYSA-N -1 1 349.314 2.344 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)C1(F)CCCC1 ZINC000774052342 577380165 /nfs/dbraw/zinc/38/01/65/577380165.db2.gz DTIVLGIFHCLZIA-LLVKDONJSA-N -1 1 341.749 2.480 20 0 EEADMM O=C(/C=C/c1ccc2c(c1)OCO2)OCCC[N-]C(=O)C(F)(F)F ZINC000774890462 577422336 /nfs/dbraw/zinc/42/23/36/577422336.db2.gz STTRQFOMZQGPAU-HWKANZROSA-N -1 1 345.273 2.040 20 0 EEADMM C[C@H](Oc1cccc(F)c1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774920154 577423298 /nfs/dbraw/zinc/42/32/98/577423298.db2.gz TWTJOPOWRGDKPK-VIFPVBQESA-N -1 1 337.269 2.205 20 0 EEADMM COc1ccccc1C1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000774938265 577423902 /nfs/dbraw/zinc/42/39/02/577423902.db2.gz DTZBMRZJJFSANZ-UHFFFAOYSA-N -1 1 345.317 2.339 20 0 EEADMM Cc1ccc2cccc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)c2n1 ZINC000775464346 577437756 /nfs/dbraw/zinc/43/77/56/577437756.db2.gz IKPTTXOIBUWMRJ-UHFFFAOYSA-N -1 1 331.331 2.484 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@@H](C)CCC(C)(C)C ZINC000777361699 577477230 /nfs/dbraw/zinc/47/72/30/577477230.db2.gz ZZQNBJBXVASMNO-NSHDSACASA-N -1 1 334.420 2.274 20 0 EEADMM Cn1[n-]c(COC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)nc1=O ZINC000765474193 577501571 /nfs/dbraw/zinc/50/15/71/577501571.db2.gz RUQBFDFBPRCBBB-UWVGGRQHSA-N -1 1 342.182 2.262 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([O-])c(F)c1 ZINC000768358294 577554329 /nfs/dbraw/zinc/55/43/29/577554329.db2.gz AYBCVCKSTMPHRG-MRXNPFEDSA-N -1 1 342.370 2.452 20 0 EEADMM COC(=O)[C@H](NC(=O)c1cc(F)ccc1[O-])c1cc(F)ccc1F ZINC000769753014 577583535 /nfs/dbraw/zinc/58/35/35/577583535.db2.gz LETSCBKVKZOYBH-CQSZACIVSA-N -1 1 339.269 2.454 20 0 EEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@@H](C)[C@H]1OC ZINC000770722508 577602441 /nfs/dbraw/zinc/60/24/41/577602441.db2.gz GHQZXGLXUNWXCI-GMTAPVOTSA-N -1 1 349.884 2.192 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc(OC)cc2)o1 ZINC000761106268 577676723 /nfs/dbraw/zinc/67/67/23/577676723.db2.gz TXQTWHHRNWVLNR-SNVBAGLBSA-N -1 1 339.369 2.114 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1Cl ZINC000761946920 577692121 /nfs/dbraw/zinc/69/21/21/577692121.db2.gz NWISONGLRLZBCW-VIFPVBQESA-N -1 1 348.211 2.139 20 0 EEADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000763236995 577717545 /nfs/dbraw/zinc/71/75/45/577717545.db2.gz QMBVASCBQGZUTC-LLVKDONJSA-N -1 1 342.189 2.322 20 0 EEADMM CCC1(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)CCCC1 ZINC000757129141 577857641 /nfs/dbraw/zinc/85/76/41/577857641.db2.gz BTZGBGGBHCPGHC-UHFFFAOYSA-N -1 1 333.384 2.465 20 0 EEADMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccn1 ZINC000744370374 577896731 /nfs/dbraw/zinc/89/67/31/577896731.db2.gz KNTJRVSIAIIVJY-CYBMUJFWSA-N -1 1 338.285 2.343 20 0 EEADMM COC[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000747159525 577940086 /nfs/dbraw/zinc/94/00/86/577940086.db2.gz UIBNABSVVSVYFV-LBPRGKRZSA-N -1 1 347.433 2.184 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=S)N[C@H]2CCOc3ccccc32)n1 ZINC000747657411 577947654 /nfs/dbraw/zinc/94/76/54/577947654.db2.gz GUQVDIIDTDDEJF-LBPRGKRZSA-N -1 1 345.428 2.108 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000748584573 577964294 /nfs/dbraw/zinc/96/42/94/577964294.db2.gz LFGBMJAZDVQHNE-UHFFFAOYSA-N -1 1 348.447 2.135 20 0 EEADMM CC(C)OCCS(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000749010643 577970049 /nfs/dbraw/zinc/97/00/49/577970049.db2.gz HGJNSXSMMYVNDU-UHFFFAOYSA-N -1 1 327.381 2.178 20 0 EEADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000739309763 578047925 /nfs/dbraw/zinc/04/79/25/578047925.db2.gz RMCLDVYUEOGSOX-UHFFFAOYSA-N -1 1 334.460 2.449 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)c1Cl ZINC000735317324 578146123 /nfs/dbraw/zinc/14/61/23/578146123.db2.gz QHPRWPPMRNOCHV-LLVKDONJSA-N -1 1 339.848 2.157 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c1Cl ZINC000735317326 578146163 /nfs/dbraw/zinc/14/61/63/578146163.db2.gz QHPRWPPMRNOCHV-NSHDSACASA-N -1 1 339.848 2.157 20 0 EEADMM Brc1ccc2c(c1)N(c1nccnc1-c1nnn[n-]1)CC2 ZINC000735367948 578149843 /nfs/dbraw/zinc/14/98/43/578149843.db2.gz BWLLOONDYIEUEJ-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)N(c1nccnc1-c1nn[n-]n1)CC2 ZINC000735367948 578149844 /nfs/dbraw/zinc/14/98/44/578149844.db2.gz BWLLOONDYIEUEJ-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736199230 578186705 /nfs/dbraw/zinc/18/67/05/578186705.db2.gz WPFBBKGPHCWZHX-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736199230 578186706 /nfs/dbraw/zinc/18/67/06/578186706.db2.gz WPFBBKGPHCWZHX-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM CC1(C)COCC[N@@H+]1CCNc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000736214239 578188459 /nfs/dbraw/zinc/18/84/59/578188459.db2.gz LROUTHOKYQLCAC-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CC1(C)COCC[N@H+]1CCNc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000736214239 578188460 /nfs/dbraw/zinc/18/84/60/578188460.db2.gz LROUTHOKYQLCAC-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CC(C)(NCC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000736339059 578196915 /nfs/dbraw/zinc/19/69/15/578196915.db2.gz JJAGZRPQZYZYCD-UHFFFAOYSA-N -1 1 330.384 2.261 20 0 EEADMM CC(C)[C@@H](C(=O)OCCOc1cccc(C(=O)[O-])c1)N1CCCC1 ZINC000736349163 578198095 /nfs/dbraw/zinc/19/80/95/578198095.db2.gz HAVZLTUVLFBNQD-INIZCTEOSA-N -1 1 335.400 2.427 20 0 EEADMM CCOCCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736619466 578215326 /nfs/dbraw/zinc/21/53/26/578215326.db2.gz PKDBFGDNCPWFSO-UHFFFAOYSA-N -1 1 333.779 2.262 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCc2ccccc21 ZINC000736746914 578221610 /nfs/dbraw/zinc/22/16/10/578221610.db2.gz CKIYARICKZDRLQ-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCc2ccccc21 ZINC000736746914 578221611 /nfs/dbraw/zinc/22/16/11/578221611.db2.gz CKIYARICKZDRLQ-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2C(=O)[O-])NC(=S)N1 ZINC000736749427 578221751 /nfs/dbraw/zinc/22/17/51/578221751.db2.gz YKSKVDVKBHXFAA-CQSZACIVSA-N -1 1 348.424 2.377 20 0 EEADMM CC[C@@](C)(NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000736861940 578227317 /nfs/dbraw/zinc/22/73/17/578227317.db2.gz YVKCIKFPBXWTCG-CYBMUJFWSA-N -1 1 340.177 2.309 20 0 EEADMM CC[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736922784 578229730 /nfs/dbraw/zinc/22/97/30/578229730.db2.gz AHEFOTYANGQEGW-HZPDHXFCSA-N -1 1 334.416 2.257 20 0 EEADMM CCN1CCN(C2CCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)C1=O ZINC000737116821 578238816 /nfs/dbraw/zinc/23/88/16/578238816.db2.gz ZMIUOOZDPKJSAI-UHFFFAOYSA-N -1 1 335.404 2.008 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000737164231 578241564 /nfs/dbraw/zinc/24/15/64/578241564.db2.gz BNXDUMDWKOGISK-LSDHHAIUSA-N -1 1 334.416 2.459 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000737164230 578241631 /nfs/dbraw/zinc/24/16/31/578241631.db2.gz BNXDUMDWKOGISK-HUUCEWRRSA-N -1 1 334.416 2.459 20 0 EEADMM Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)no1 ZINC000737262457 578246694 /nfs/dbraw/zinc/24/66/94/578246694.db2.gz GSKGGINRCWGTFA-UHFFFAOYSA-N -1 1 342.746 2.180 20 0 EEADMM Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)on1 ZINC000737263641 578246789 /nfs/dbraw/zinc/24/67/89/578246789.db2.gz NBQBLLAWCTVSIJ-UHFFFAOYSA-N -1 1 342.746 2.180 20 0 EEADMM Cc1nn(CCCc2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513716 578261654 /nfs/dbraw/zinc/26/16/54/578261654.db2.gz SEJKWXZBANWXMZ-UHFFFAOYSA-N -1 1 344.806 2.326 20 0 EEADMM O=C([O-])[C@@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000819281726 597525555 /nfs/dbraw/zinc/52/55/55/597525555.db2.gz YMCYLQRHUUDJJP-MRXNPFEDSA-N -1 1 342.395 2.215 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000821512030 598130198 /nfs/dbraw/zinc/13/01/98/598130198.db2.gz ZCKVUJLSBAKROA-SNVBAGLBSA-N -1 1 342.189 2.127 20 0 EEADMM C[C@@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C(=O)[O-] ZINC000820136296 598195806 /nfs/dbraw/zinc/19/58/06/598195806.db2.gz OXAUWEANCVLTDR-MFKMUULPSA-N -1 1 344.333 2.259 20 0 EEADMM Cc1ccn(Cc2ccc(Br)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822373872 607349807 /nfs/dbraw/zinc/34/98/07/607349807.db2.gz FRMPXITXYPPNRZ-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM CN(C)c1cc(CNc2cccc(-c3nnn[n-]3)n2)c2ccccc2n1 ZINC000821588552 599361582 /nfs/dbraw/zinc/36/15/82/599361582.db2.gz YBRWKKOETNJTMN-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1cc(CNc2cccc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC000821588552 599361583 /nfs/dbraw/zinc/36/15/83/599361583.db2.gz YBRWKKOETNJTMN-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H]2CCO[C@H]21 ZINC000820586303 599570941 /nfs/dbraw/zinc/57/09/41/599570941.db2.gz VEMQVCMLPAUNNS-IUIKQTSFSA-N -1 1 336.399 2.062 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H]2CCO[C@H]21 ZINC000820586303 599570942 /nfs/dbraw/zinc/57/09/42/599570942.db2.gz VEMQVCMLPAUNNS-IUIKQTSFSA-N -1 1 336.399 2.062 20 0 EEADMM O=C([O-])[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000391972213 599784288 /nfs/dbraw/zinc/78/42/88/599784288.db2.gz WGCREEDPHNOCAC-MRXNPFEDSA-N -1 1 343.770 2.263 20 0 EEADMM O=C([O-])c1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c(F)cc1F ZINC000833299299 601013112 /nfs/dbraw/zinc/01/31/12/601013112.db2.gz BOKINUOVRRCIIW-JTQLQIEISA-N -1 1 337.326 2.141 20 0 EEADMM Cc1nsc(N2CCCN([C@H](C)c3ccc(C(=O)[O-])o3)CC2)n1 ZINC000833023799 601035648 /nfs/dbraw/zinc/03/56/48/601035648.db2.gz ICPBKDMOZLSHMN-SNVBAGLBSA-N -1 1 336.417 2.411 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)c3cn[nH]c3-c3ccncc3)cc21 ZINC000833157073 601081261 /nfs/dbraw/zinc/08/12/61/601081261.db2.gz KZAHRTQDWYILMF-UHFFFAOYSA-N -1 1 348.322 2.299 20 0 EEADMM C/C(=C\C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1cccc(F)c1 ZINC000825716846 601097353 /nfs/dbraw/zinc/09/73/53/601097353.db2.gz PHIOOKQBZCTDBF-UELRPHRMSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000827385199 601338111 /nfs/dbraw/zinc/33/81/11/601338111.db2.gz ISGDHSVTDLLQTH-LLVKDONJSA-N -1 1 325.409 2.003 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000832868195 601360613 /nfs/dbraw/zinc/36/06/13/601360613.db2.gz HJIXNJSNFZRQSV-UHFFFAOYSA-N -1 1 337.401 2.153 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000831526617 601429720 /nfs/dbraw/zinc/42/97/20/601429720.db2.gz JVVABOKYURDAFC-DNVCBOLYSA-N -1 1 348.443 2.483 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@@H](C(C)C)C2)cc(C(=O)[O-])c1 ZINC000831268985 601497486 /nfs/dbraw/zinc/49/74/86/601497486.db2.gz GSNSYFANSVDCCO-GFCCVEGCSA-N -1 1 348.399 2.088 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828437692 601532941 /nfs/dbraw/zinc/53/29/41/601532941.db2.gz AJMIZCFRWJAUOB-ZJUUUORDSA-N -1 1 330.306 2.296 20 0 EEADMM CC[C@](C)(CC(=O)[O-])NCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000828671524 601557278 /nfs/dbraw/zinc/55/72/78/601557278.db2.gz DYYCHVSBOPJNHZ-MRXNPFEDSA-N -1 1 333.344 2.198 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/SCc2ccco2)CC1 ZINC000827354346 601572866 /nfs/dbraw/zinc/57/28/66/601572866.db2.gz FODIVTGTUPELFA-CFDVYZKQSA-N -1 1 338.429 2.034 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\SCc2ccco2)CC1 ZINC000827354347 601572965 /nfs/dbraw/zinc/57/29/65/601572965.db2.gz FODIVTGTUPELFA-FSIMMPEJSA-N -1 1 338.429 2.034 20 0 EEADMM CCN1CCN(C2CCN(Cc3ccc(C(=O)[O-])c(F)c3)CC2)C1=O ZINC000829770982 601632021 /nfs/dbraw/zinc/63/20/21/601632021.db2.gz QNDSULKQBOEWIZ-UHFFFAOYSA-N -1 1 349.406 2.246 20 0 EEADMM COC(=O)/C(C)=C\CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831053674 601899855 /nfs/dbraw/zinc/89/98/55/601899855.db2.gz SGBNKGUZBUOBSM-UKOWJOKBSA-N -1 1 331.290 2.281 20 0 EEADMM COc1ccc(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000316067752 601928608 /nfs/dbraw/zinc/92/86/08/601928608.db2.gz KTCXWLRWBOSXRK-HNNXBMFYSA-N -1 1 326.780 2.084 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc21 ZINC000833344314 602019769 /nfs/dbraw/zinc/01/97/69/602019769.db2.gz KXJPIEVUUHEUIK-VIFPVBQESA-N -1 1 325.328 2.043 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc21 ZINC000833344313 602019843 /nfs/dbraw/zinc/01/98/43/602019843.db2.gz KXJPIEVUUHEUIK-SECBINFHSA-N -1 1 325.328 2.043 20 0 EEADMM O=S(=O)(NC1CCCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488497 607574080 /nfs/dbraw/zinc/57/40/80/607574080.db2.gz RHQZECGXOFWFGF-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000824135471 603969088 /nfs/dbraw/zinc/96/90/88/603969088.db2.gz FZBUMSDFUDPVTH-UONOGXRCSA-N -1 1 341.839 2.351 20 0 EEADMM O=C([O-])CNC(=O)CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000833250252 604453576 /nfs/dbraw/zinc/45/35/76/604453576.db2.gz CPVPDOGURWTFIM-AWEZNQCLSA-N -1 1 326.343 2.083 20 0 EEADMM Cc1nc([C@@H]2CCCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)n[nH]1 ZINC000830738709 604645039 /nfs/dbraw/zinc/64/50/39/604645039.db2.gz SRVWLFKYSYZCHH-GFCCVEGCSA-N -1 1 329.360 2.223 20 0 EEADMM O=C([O-])C[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000833209189 604673748 /nfs/dbraw/zinc/67/37/48/604673748.db2.gz BNCSVMUTRKQHFU-HUUCEWRRSA-N -1 1 349.431 2.455 20 0 EEADMM Nn1c(SCCCC(=O)[O-])nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000821368905 604755859 /nfs/dbraw/zinc/75/58/59/604755859.db2.gz JHFBMWMTIAOPHK-UHFFFAOYSA-N -1 1 344.400 2.006 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(CC(F)(F)F)no2)C1 ZINC000833419024 604952631 /nfs/dbraw/zinc/95/26/31/604952631.db2.gz DPSBQGLHDJPTQE-SECBINFHSA-N -1 1 335.326 2.497 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC2CCC2)cc1 ZINC000833626954 605109144 /nfs/dbraw/zinc/10/91/44/605109144.db2.gz SZZYUTUZBPNNJP-AWEZNQCLSA-N -1 1 346.427 2.239 20 0 EEADMM CCOc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)ccc1C ZINC000833661256 605109382 /nfs/dbraw/zinc/10/93/82/605109382.db2.gz NJKMTTDTQFPHIA-AWEZNQCLSA-N -1 1 334.416 2.015 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC000833513985 605113904 /nfs/dbraw/zinc/11/39/04/605113904.db2.gz MFJWTVGXQPJVFN-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000833618556 605157111 /nfs/dbraw/zinc/15/71/11/605157111.db2.gz CSMFXFDEIXIWBR-IWUURBKTSA-N -1 1 334.460 2.210 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cc(Br)cn2C)O1 ZINC000833575558 605354290 /nfs/dbraw/zinc/35/42/90/605354290.db2.gz AQAVRUVROIZUOP-GFCCVEGCSA-N -1 1 343.221 2.367 20 0 EEADMM CC(=O)N1CC[C@@H](CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833392112 605383378 /nfs/dbraw/zinc/38/33/78/605383378.db2.gz ZADCLJFOZGHAFV-NHYWBVRUSA-N -1 1 342.798 2.405 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833749025 605467946 /nfs/dbraw/zinc/46/79/46/605467946.db2.gz ZHYURMAVGMCXEO-CVEARBPZSA-N -1 1 332.444 2.181 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823400536 606136103 /nfs/dbraw/zinc/13/61/03/606136103.db2.gz FXJHVJRVJYRIEO-UHFFFAOYSA-N -1 1 336.295 2.054 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823400536 606136104 /nfs/dbraw/zinc/13/61/04/606136104.db2.gz FXJHVJRVJYRIEO-UHFFFAOYSA-N -1 1 336.295 2.054 20 0 EEADMM COCC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821680847 606411779 /nfs/dbraw/zinc/41/17/79/606411779.db2.gz WHKZXMGWAGJONM-UHFFFAOYSA-N -1 1 344.400 2.125 20 0 EEADMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821668750 606490383 /nfs/dbraw/zinc/49/03/83/606490383.db2.gz HDSNYVXQDRJYOR-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821668750 606490384 /nfs/dbraw/zinc/49/03/84/606490384.db2.gz HDSNYVXQDRJYOR-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM Cc1ccc(OCCN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822263765 606497050 /nfs/dbraw/zinc/49/70/50/606497050.db2.gz YMANVQRLVMDIDX-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM Cc1ccc(OCCN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822263765 606497052 /nfs/dbraw/zinc/49/70/52/606497052.db2.gz YMANVQRLVMDIDX-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM C[C@@H]1CCc2sc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc2C1 ZINC000820736349 606531919 /nfs/dbraw/zinc/53/19/19/606531919.db2.gz YVAQQWASMRORIN-SSDOTTSWSA-N -1 1 329.389 2.028 20 0 EEADMM C[C@@H]1CCc2sc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc2C1 ZINC000820736349 606531921 /nfs/dbraw/zinc/53/19/21/606531921.db2.gz YVAQQWASMRORIN-SSDOTTSWSA-N -1 1 329.389 2.028 20 0 EEADMM COCc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000821694972 606555365 /nfs/dbraw/zinc/55/53/65/606555365.db2.gz COJFTCQEYORDCE-UHFFFAOYSA-N -1 1 347.375 2.144 20 0 EEADMM COCc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000821694972 606555366 /nfs/dbraw/zinc/55/53/66/606555366.db2.gz COJFTCQEYORDCE-UHFFFAOYSA-N -1 1 347.375 2.144 20 0 EEADMM Cc1nc(Cc2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cs1 ZINC000822449985 606620478 /nfs/dbraw/zinc/62/04/78/606620478.db2.gz XUQBJIODHVTCLS-UHFFFAOYSA-N -1 1 331.386 2.334 20 0 EEADMM Cc1nc(Cc2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cs1 ZINC000822449985 606620479 /nfs/dbraw/zinc/62/04/79/606620479.db2.gz XUQBJIODHVTCLS-UHFFFAOYSA-N -1 1 331.386 2.334 20 0 EEADMM CCO[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000821350744 606734806 /nfs/dbraw/zinc/73/48/06/606734806.db2.gz CGZBBTVYBLFHRB-GFCCVEGCSA-N -1 1 349.439 2.208 20 0 EEADMM CCO[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000821350744 606734808 /nfs/dbraw/zinc/73/48/08/606734808.db2.gz CGZBBTVYBLFHRB-GFCCVEGCSA-N -1 1 349.439 2.208 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823379688 607105502 /nfs/dbraw/zinc/10/55/02/607105502.db2.gz DLQKPHWXHJUYCS-RNFRBKRXSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000823379688 607105504 /nfs/dbraw/zinc/10/55/04/607105504.db2.gz DLQKPHWXHJUYCS-RNFRBKRXSA-N -1 1 348.338 2.344 20 0 EEADMM Cc1ccc(OCCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822262627 607106558 /nfs/dbraw/zinc/10/65/58/607106558.db2.gz BZCBEJWUGIZMKR-UHFFFAOYSA-N -1 1 344.400 2.429 20 0 EEADMM Cc1ccc(OCCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822262627 607106560 /nfs/dbraw/zinc/10/65/60/607106560.db2.gz BZCBEJWUGIZMKR-UHFFFAOYSA-N -1 1 344.400 2.429 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1ccccc1O[C@H]1CCOC1 ZINC000823792034 607130730 /nfs/dbraw/zinc/13/07/30/607130730.db2.gz NHKCXDHJXZYMGW-LBPRGKRZSA-N -1 1 327.344 2.240 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1ccccc1O[C@H]1CCOC1 ZINC000823792034 607130731 /nfs/dbraw/zinc/13/07/31/607130731.db2.gz NHKCXDHJXZYMGW-LBPRGKRZSA-N -1 1 327.344 2.240 20 0 EEADMM CN(C)c1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC000825883358 607851987 /nfs/dbraw/zinc/85/19/87/607851987.db2.gz GBYRYSVFCXONAW-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC000825883358 607851988 /nfs/dbraw/zinc/85/19/88/607851988.db2.gz GBYRYSVFCXONAW-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM COc1ccc(OC)c(CCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826211258 607966324 /nfs/dbraw/zinc/96/63/24/607966324.db2.gz VQLSYRRKJQEUPC-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM COc1ccc(OC)c(CCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826211258 607966325 /nfs/dbraw/zinc/96/63/25/607966325.db2.gz VQLSYRRKJQEUPC-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM O=C(C=Cc1cccc(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826401376 607997578 /nfs/dbraw/zinc/99/75/78/607997578.db2.gz WTTOBMAJVVWVFE-DAXSKMNVSA-N -1 1 325.303 2.363 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1scnc1C1CC1 ZINC000826451634 608030758 /nfs/dbraw/zinc/03/07/58/608030758.db2.gz OZYLURRASWBMKB-UHFFFAOYSA-N -1 1 328.357 2.159 20 0 EEADMM O=C(CNc1snc(Cl)c1-c1nnn[n-]1)OC1CCCCC1 ZINC000826414817 608189993 /nfs/dbraw/zinc/18/99/93/608189993.db2.gz IYQLNHYHKFPHOB-UHFFFAOYSA-N -1 1 342.812 2.264 20 0 EEADMM O=C(CNc1snc(Cl)c1-c1nn[n-]n1)OC1CCCCC1 ZINC000826414817 608189995 /nfs/dbraw/zinc/18/99/95/608189995.db2.gz IYQLNHYHKFPHOB-UHFFFAOYSA-N -1 1 342.812 2.264 20 0 EEADMM CO[C@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826146233 608417329 /nfs/dbraw/zinc/41/73/29/608417329.db2.gz SEVIPVWXZGTRTC-MFKMUULPSA-N -1 1 325.376 2.037 20 0 EEADMM CO[C@H]1CCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826146233 608417331 /nfs/dbraw/zinc/41/73/31/608417331.db2.gz SEVIPVWXZGTRTC-MFKMUULPSA-N -1 1 325.376 2.037 20 0 EEADMM Cc1cccc(NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826299714 608423742 /nfs/dbraw/zinc/42/37/42/608423742.db2.gz REHSSFGZAOZCQK-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cccc(NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826299714 608423743 /nfs/dbraw/zinc/42/37/43/608423743.db2.gz REHSSFGZAOZCQK-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1c1cccc(F)c1 ZINC000824962539 608427427 /nfs/dbraw/zinc/42/74/27/608427427.db2.gz VHVWVZZIUVKAQH-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1c1cccc(F)c1 ZINC000824962539 608427429 /nfs/dbraw/zinc/42/74/29/608427429.db2.gz VHVWVZZIUVKAQH-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM COc1ccc([C@H](C)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826187968 608593404 /nfs/dbraw/zinc/59/34/04/608593404.db2.gz JSVKMYOXNIBNCY-LLVKDONJSA-N -1 1 339.355 2.231 20 0 EEADMM COc1ccc([C@H](C)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826187968 608593406 /nfs/dbraw/zinc/59/34/06/608593406.db2.gz JSVKMYOXNIBNCY-LLVKDONJSA-N -1 1 339.355 2.231 20 0 EEADMM CCc1ccc(CN(C)CC(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000066865074 675001376 /nfs/dbraw/zinc/00/13/76/675001376.db2.gz GSLUOKRZEZTWFV-UHFFFAOYSA-N -1 1 331.441 2.204 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3ccc(C)c(F)c3)C2)c1[O-] ZINC000969500709 675075477 /nfs/dbraw/zinc/07/54/77/675075477.db2.gz VEBIGALCYVSGFD-NSHDSACASA-N -1 1 346.406 2.122 20 0 EEADMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)nc1F)c1nccs1 ZINC000866851802 675373641 /nfs/dbraw/zinc/37/36/41/675373641.db2.gz 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/nfs/dbraw/zinc/29/62/78/1352296278.db2.gz JRJZIYKMNZDVID-QMMMGPOBSA-N -1 1 346.778 2.306 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1oc(C)cc1C ZINC001429802037 1340022512 /nfs/dbraw/zinc/02/25/12/1340022512.db2.gz AAGBZGUACAFVTL-UHFFFAOYSA-N -1 1 345.399 2.279 20 0 EEADMM CCC[C@H](C)CC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001431761888 1340719071 /nfs/dbraw/zinc/71/90/71/1340719071.db2.gz TYNXMGNPIPSUJN-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)CC2CCCC2)C1 ZINC001434213317 1341793350 /nfs/dbraw/zinc/79/33/50/1341793350.db2.gz DZEHLTZRRQHCJO-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM O=S(=O)([N-]Cc1cn2ccsc2n1)c1ccc(C(F)F)o1 ZINC001561437578 1342527043 /nfs/dbraw/zinc/52/70/43/1342527043.db2.gz OANKBNOAHQMMJK-UHFFFAOYSA-N -1 1 333.341 2.405 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577202739 1344103524 /nfs/dbraw/zinc/10/35/24/1344103524.db2.gz JYCKTUISTQKKLQ-NKWVEPMBSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577202739 1344103528 /nfs/dbraw/zinc/10/35/28/1344103528.db2.gz JYCKTUISTQKKLQ-NKWVEPMBSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577203018 1344104333 /nfs/dbraw/zinc/10/43/33/1344104333.db2.gz NPTLRZMOTAQERD-HNNXBMFYSA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577387543 1344137806 /nfs/dbraw/zinc/13/78/06/1344137806.db2.gz ILYJADHMYNOJLZ-ZWNOBZJWSA-N -1 1 344.419 2.317 20 0 EEADMM COC(=O)c1ccc(CNc2snc(C)c2-c2nn[n-]n2)c(F)c1 ZINC001579482560 1344388606 /nfs/dbraw/zinc/38/86/06/1344388606.db2.gz KOOHHHJDKVWWQG-UHFFFAOYSA-N -1 1 348.363 2.169 20 0 EEADMM COc1c(C)cccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001579875278 1344423867 /nfs/dbraw/zinc/42/38/67/1344423867.db2.gz VVARZSIVKNZCDW-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1c(C)cccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001579875278 1344423870 /nfs/dbraw/zinc/42/38/70/1344423870.db2.gz VVARZSIVKNZCDW-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(CCNc2snc(Cl)c2-c2nnn[n-]2)ccn1 ZINC001579922614 1344432164 /nfs/dbraw/zinc/43/21/64/1344432164.db2.gz CDZPPGYOQFVLGI-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cc(CCNc2snc(Cl)c2-c2nn[n-]n2)ccn1 ZINC001579922614 1344432169 /nfs/dbraw/zinc/43/21/69/1344432169.db2.gz CDZPPGYOQFVLGI-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001579929626 1344434045 /nfs/dbraw/zinc/43/40/45/1344434045.db2.gz UVGXOPBBRJDJFS-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001579929626 1344434048 /nfs/dbraw/zinc/43/40/48/1344434048.db2.gz UVGXOPBBRJDJFS-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM Cc1ccsc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581304333 1344615514 /nfs/dbraw/zinc/61/55/14/1344615514.db2.gz FMRFOSQTGLLRMM-UHFFFAOYSA-N -1 1 334.430 2.298 20 0 EEADMM O=C(CSCc1nc(-c2nnn[n-]2)cs1)OCc1ccccc1 ZINC001582133335 1344704752 /nfs/dbraw/zinc/70/47/52/1344704752.db2.gz ZXKJFJKTWWMYLV-UHFFFAOYSA-N -1 1 347.425 2.300 20 0 EEADMM O=C(CSCc1nc(-c2nn[n-]n2)cs1)OCc1ccccc1 ZINC001582133335 1344704755 /nfs/dbraw/zinc/70/47/55/1344704755.db2.gz ZXKJFJKTWWMYLV-UHFFFAOYSA-N -1 1 347.425 2.300 20 0 EEADMM O=C(NCc1ccc(Cl)s1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582551788 1344761840 /nfs/dbraw/zinc/76/18/40/1344761840.db2.gz CENULPBKSDZYLA-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1ccc(Cl)s1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582551788 1344761845 /nfs/dbraw/zinc/76/18/45/1344761845.db2.gz CENULPBKSDZYLA-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(Nc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001582653513 1344778189 /nfs/dbraw/zinc/77/81/89/1344778189.db2.gz OUYSBFOEORNFSM-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001582653513 1344778200 /nfs/dbraw/zinc/77/82/00/1344778200.db2.gz OUYSBFOEORNFSM-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM CC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)cc1 ZINC001588915089 1348947487 /nfs/dbraw/zinc/94/74/87/1348947487.db2.gz JXJHFDKVQDORMG-UHFFFAOYSA-N -1 1 345.362 2.433 20 0 EEADMM C[C@@H](C(=O)C(C)(C)C)n1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001588936974 1348948915 /nfs/dbraw/zinc/94/89/15/1348948915.db2.gz PSFUFMRHQIJOCK-JTQLQIEISA-N -1 1 325.372 2.358 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001589201938 1348969642 /nfs/dbraw/zinc/96/96/42/1348969642.db2.gz PCTXLFVKVLNJKA-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001589201938 1348969644 /nfs/dbraw/zinc/96/96/44/1348969644.db2.gz PCTXLFVKVLNJKA-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1nsc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001589249472 1348975213 /nfs/dbraw/zinc/97/52/13/1348975213.db2.gz RSXZLRXBAPNHTR-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC001589319826 1348982601 /nfs/dbraw/zinc/98/26/01/1348982601.db2.gz XXHIVUXGRGARFZ-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC001589319826 1348982605 /nfs/dbraw/zinc/98/26/05/1348982605.db2.gz XXHIVUXGRGARFZ-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CC(C)C(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589412809 1348989303 /nfs/dbraw/zinc/98/93/03/1348989303.db2.gz TUIZQYOXWWFQKV-UHFFFAOYSA-N -1 1 325.332 2.044 20 0 EEADMM CC(C)C[C@@H](NCc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001589654565 1349017019 /nfs/dbraw/zinc/01/70/19/1349017019.db2.gz WIQZZCUTKTXFCC-CQSZACIVSA-N -1 1 346.435 2.108 20 0 EEADMM CC(C)C[C@@H](NCc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001589654565 1349017029 /nfs/dbraw/zinc/01/70/29/1349017029.db2.gz WIQZZCUTKTXFCC-CQSZACIVSA-N -1 1 346.435 2.108 20 0 EEADMM C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccc(N)cc1 ZINC001589794753 1349044813 /nfs/dbraw/zinc/04/48/13/1349044813.db2.gz GKETXMKZEXETPI-SNVBAGLBSA-N -1 1 327.344 2.279 20 0 EEADMM C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccc(N)cc1 ZINC001589794753 1349044819 /nfs/dbraw/zinc/04/48/19/1349044819.db2.gz GKETXMKZEXETPI-SNVBAGLBSA-N -1 1 327.344 2.279 20 0 EEADMM C[C@@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001589998752 1349101044 /nfs/dbraw/zinc/10/10/44/1349101044.db2.gz YYBYKKHPPLYMPJ-MEBBXXQBSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001589998752 1349101048 /nfs/dbraw/zinc/10/10/48/1349101048.db2.gz YYBYKKHPPLYMPJ-MEBBXXQBSA-N -1 1 337.387 2.068 20 0 EEADMM CC1(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCCCC1 ZINC001590133443 1349169284 /nfs/dbraw/zinc/16/92/84/1349169284.db2.gz CTFHXSJHLRXQTI-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM C[C@@H]1CC(CCNC(=O)c2ccsc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001590188395 1349188387 /nfs/dbraw/zinc/18/83/87/1349188387.db2.gz CGXRWGWRCZZRHJ-NXEZZACHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1CC(CCNC(=O)c2ccsc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590188395 1349188393 /nfs/dbraw/zinc/18/83/93/1349188393.db2.gz CGXRWGWRCZZRHJ-NXEZZACHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590216092 1349204085 /nfs/dbraw/zinc/20/40/85/1349204085.db2.gz YBWOZUMHRNVTFQ-TZMCWYRMSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590216092 1349204088 /nfs/dbraw/zinc/20/40/88/1349204088.db2.gz YBWOZUMHRNVTFQ-TZMCWYRMSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1C ZINC001590267179 1349240350 /nfs/dbraw/zinc/24/03/50/1349240350.db2.gz LJZZSRAZJPCNMN-RITPCOANSA-N -1 1 327.801 2.239 20 0 EEADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)c2c(O)cccc21 ZINC001590270064 1349241230 /nfs/dbraw/zinc/24/12/30/1349241230.db2.gz LSBXVEOLSOGANC-SECBINFHSA-N -1 1 325.328 2.319 20 0 EEADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)c2c(O)cccc21 ZINC001590270064 1349241234 /nfs/dbraw/zinc/24/12/34/1349241234.db2.gz LSBXVEOLSOGANC-SECBINFHSA-N -1 1 325.328 2.319 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccccc2)O1 ZINC001590298739 1349252666 /nfs/dbraw/zinc/25/26/66/1349252666.db2.gz NUSQQJMWVFKUBW-ABAIWWIYSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccccc2)O1 ZINC001590298739 1349252670 /nfs/dbraw/zinc/25/26/70/1349252670.db2.gz NUSQQJMWVFKUBW-ABAIWWIYSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](c2ccsc2)O1 ZINC001590308675 1349255957 /nfs/dbraw/zinc/25/59/57/1349255957.db2.gz IAHGKNKYLIHVRO-JOYOIKCWSA-N -1 1 348.457 2.347 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](c2ccsc2)O1 ZINC001590308675 1349255964 /nfs/dbraw/zinc/25/59/64/1349255964.db2.gz IAHGKNKYLIHVRO-JOYOIKCWSA-N -1 1 348.457 2.347 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC001590460175 1349337238 /nfs/dbraw/zinc/33/72/38/1349337238.db2.gz YEXJPXHWRNJRNS-SNVBAGLBSA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC001590460175 1349337245 /nfs/dbraw/zinc/33/72/45/1349337245.db2.gz YEXJPXHWRNJRNS-SNVBAGLBSA-N -1 1 348.370 2.019 20 0 EEADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](C)Cc1ccsc1 ZINC001590674976 1349386543 /nfs/dbraw/zinc/38/65/43/1349386543.db2.gz CGLCOSNUKWGQQA-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](C)Cc1ccsc1 ZINC001590674976 1349386547 /nfs/dbraw/zinc/38/65/47/1349386547.db2.gz CGLCOSNUKWGQQA-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977480 1349426412 /nfs/dbraw/zinc/42/64/12/1349426412.db2.gz DYCMDWRAVHMXJY-XVNBXDOJSA-N -1 1 345.366 2.419 20 0 EEADMM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977480 1349426418 /nfs/dbraw/zinc/42/64/18/1349426418.db2.gz DYCMDWRAVHMXJY-XVNBXDOJSA-N -1 1 345.366 2.419 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591034553 1349432884 /nfs/dbraw/zinc/43/28/84/1349432884.db2.gz FJDHSTKGOKLFQB-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591034553 1349432888 /nfs/dbraw/zinc/43/28/88/1349432888.db2.gz FJDHSTKGOKLFQB-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM COc1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001591540670 1349502997 /nfs/dbraw/zinc/50/29/97/1349502997.db2.gz FYMZEXBIHBSISE-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1SC ZINC001591614342 1349515636 /nfs/dbraw/zinc/51/56/36/1349515636.db2.gz MWUKEHLLPRRUOI-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1ccc(OCCOC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001591620569 1349516463 /nfs/dbraw/zinc/51/64/63/1349516463.db2.gz DKDSUDKGDHOPQQ-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM COc1ccc(OCCOC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001591620569 1349516471 /nfs/dbraw/zinc/51/64/71/1349516471.db2.gz DKDSUDKGDHOPQQ-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591654384 1349527213 /nfs/dbraw/zinc/52/72/13/1349527213.db2.gz KDHOXDDUNYANIM-VIFPVBQESA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591654384 1349527221 /nfs/dbraw/zinc/52/72/21/1349527221.db2.gz KDHOXDDUNYANIM-VIFPVBQESA-N -1 1 327.344 2.268 20 0 EEADMM CSc1ccccc1OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591717167 1349534652 /nfs/dbraw/zinc/53/46/52/1349534652.db2.gz IWRSBFZMLGQRQA-UHFFFAOYSA-N -1 1 327.369 2.132 20 0 EEADMM CSc1ccccc1OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591717167 1349534658 /nfs/dbraw/zinc/53/46/58/1349534658.db2.gz IWRSBFZMLGQRQA-UHFFFAOYSA-N -1 1 327.369 2.132 20 0 EEADMM Cc1cc(C(F)(F)F)nc(NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001591939315 1349564663 /nfs/dbraw/zinc/56/46/63/1349564663.db2.gz KEMPOTFTWSCHJQ-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1cc(C(F)(F)F)nc(NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001591939315 1349564674 /nfs/dbraw/zinc/56/46/74/1349564674.db2.gz KEMPOTFTWSCHJQ-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1cc(NC[C@H](O)c2ccccc2Cl)cc(-c2nnn[n-]2)n1 ZINC001592041979 1349587437 /nfs/dbraw/zinc/58/74/37/1349587437.db2.gz ZRWFCYRMNHGXIB-AWEZNQCLSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1cc(NC[C@H](O)c2ccccc2Cl)cc(-c2nn[n-]n2)n1 ZINC001592041979 1349587439 /nfs/dbraw/zinc/58/74/39/1349587439.db2.gz ZRWFCYRMNHGXIB-AWEZNQCLSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccc(-c2nc(CNc3ccnc(-c4nnn[n-]4)c3)co2)cc1 ZINC001592073496 1349588754 /nfs/dbraw/zinc/58/87/54/1349588754.db2.gz BLJHTPJQZKCMHZ-UHFFFAOYSA-N -1 1 333.355 2.259 20 0 EEADMM Cc1ccc(-c2nc(CNc3ccnc(-c4nn[n-]n4)c3)co2)cc1 ZINC001592073496 1349588756 /nfs/dbraw/zinc/58/87/56/1349588756.db2.gz BLJHTPJQZKCMHZ-UHFFFAOYSA-N -1 1 333.355 2.259 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)n[nH]2)s1 ZINC001592073309 1349588762 /nfs/dbraw/zinc/58/87/62/1349588762.db2.gz BYTOWTSXUBHEPE-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)n[nH]2)s1 ZINC001592073309 1349588764 /nfs/dbraw/zinc/58/87/64/1349588764.db2.gz BYTOWTSXUBHEPE-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1ccc2nc(C(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)ccc2c1 ZINC001592206847 1349608804 /nfs/dbraw/zinc/60/88/04/1349608804.db2.gz QVSRKBVWXZPUTC-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1cccc(CS(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)c1 ZINC001592231560 1349613366 /nfs/dbraw/zinc/61/33/66/1349613366.db2.gz HVCXYIQBVHZITM-UHFFFAOYSA-N -1 1 347.375 2.256 20 0 EEADMM Cc1cccc(N2CCN(c3ccc(C)nc3-c3nnn[n-]3)CC2)c1 ZINC001592233489 1349613383 /nfs/dbraw/zinc/61/33/83/1349613383.db2.gz KJRNVJVVDYHLIW-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cccc(N2CCN(c3ccc(C)nc3-c3nn[n-]n3)CC2)c1 ZINC001592233489 1349613384 /nfs/dbraw/zinc/61/33/84/1349613384.db2.gz KJRNVJVVDYHLIW-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1nsc(NC(=O)NCCc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592484147 1349636427 /nfs/dbraw/zinc/63/64/27/1349636427.db2.gz YKKWLWORVZCIIM-UHFFFAOYSA-N -1 1 347.379 2.135 20 0 EEADMM Cc1nsc(NC(=O)NCCc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592484147 1349636429 /nfs/dbraw/zinc/63/64/29/1349636429.db2.gz YKKWLWORVZCIIM-UHFFFAOYSA-N -1 1 347.379 2.135 20 0 EEADMM Cc1nsc(NC2CCN(c3nccs3)CC2)c1-c1nn[n-]n1 ZINC001592486219 1349636825 /nfs/dbraw/zinc/63/68/25/1349636825.db2.gz FRAFPQDBHJMGDQ-UHFFFAOYSA-N -1 1 348.461 2.169 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1CC1CCC1 ZINC001592502296 1349638290 /nfs/dbraw/zinc/63/82/90/1349638290.db2.gz AHAKHLUSZJSXDZ-UHFFFAOYSA-N -1 1 327.348 2.017 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1CC1CCC1 ZINC001592502296 1349638294 /nfs/dbraw/zinc/63/82/94/1349638294.db2.gz AHAKHLUSZJSXDZ-UHFFFAOYSA-N -1 1 327.348 2.017 20 0 EEADMM Cc1onc(CC(=O)N2c3ccccc3CC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592515898 1349644523 /nfs/dbraw/zinc/64/45/23/1349644523.db2.gz RGFLKXDSKFFYQD-JTQLQIEISA-N -1 1 338.371 2.074 20 0 EEADMM Cc1onc(CC(=O)N2c3ccccc3CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592515898 1349644524 /nfs/dbraw/zinc/64/45/24/1349644524.db2.gz RGFLKXDSKFFYQD-JTQLQIEISA-N -1 1 338.371 2.074 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2[C@@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592532116 1349649118 /nfs/dbraw/zinc/64/91/18/1349649118.db2.gz HCUPFABHBYBZKE-RYUDHWBXSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592532116 1349649120 /nfs/dbraw/zinc/64/91/20/1349649120.db2.gz HCUPFABHBYBZKE-RYUDHWBXSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001592533478 1349650149 /nfs/dbraw/zinc/65/01/49/1349650149.db2.gz NMBMXOXHOFTOAG-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001592533478 1349650150 /nfs/dbraw/zinc/65/01/50/1349650150.db2.gz NMBMXOXHOFTOAG-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c(CCNc3ccc(-c4nnn[n-]4)nn3)c[nH]c21 ZINC001592535233 1349650457 /nfs/dbraw/zinc/65/04/57/1349650457.db2.gz PZOZKPDFYQEOSK-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1cccc2c(CCNc3ccc(-c4nn[n-]n4)nn3)c[nH]c21 ZINC001592535233 1349650460 /nfs/dbraw/zinc/65/04/60/1349650460.db2.gz PZOZKPDFYQEOSK-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Cn1c(NC(=O)c2coc(-c3nnn[n-]3)c2)nc2cccc(Cl)c21 ZINC001592554965 1349657512 /nfs/dbraw/zinc/65/75/12/1349657512.db2.gz DVHXJRJHGGHVIN-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Cn1c(NC(=O)c2coc(-c3nn[n-]n3)c2)nc2cccc(Cl)c21 ZINC001592554965 1349657514 /nfs/dbraw/zinc/65/75/14/1349657514.db2.gz DVHXJRJHGGHVIN-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2CC(C)(C)CC(C)(C)C2)n1 ZINC001592558688 1349657536 /nfs/dbraw/zinc/65/75/36/1349657536.db2.gz GRCRCWWOGAEHHQ-UHFFFAOYSA-N -1 1 331.424 2.391 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2CC(C)(C)CC(C)(C)C2)n1 ZINC001592558688 1349657539 /nfs/dbraw/zinc/65/75/39/1349657539.db2.gz GRCRCWWOGAEHHQ-UHFFFAOYSA-N -1 1 331.424 2.391 20 0 EEADMM Cn1cc(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001592568452 1349659582 /nfs/dbraw/zinc/65/95/82/1349659582.db2.gz DFLHEKQQZZVXSD-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM Cn1cc(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001592568452 1349659587 /nfs/dbraw/zinc/65/95/87/1349659587.db2.gz DFLHEKQQZZVXSD-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3ccsc3-c3nnn[n-]3)cc21 ZINC001592588731 1349664060 /nfs/dbraw/zinc/66/40/60/1349664060.db2.gz YVLQBIPPCIMJJT-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3ccsc3-c3nn[n-]n3)cc21 ZINC001592588731 1349664065 /nfs/dbraw/zinc/66/40/65/1349664065.db2.gz YVLQBIPPCIMJJT-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Fc1cccc([C@H](Nc2cnc(-c3nnn[n-]3)cn2)c2ccccn2)c1 ZINC001592655256 1349700418 /nfs/dbraw/zinc/70/04/18/1349700418.db2.gz QCJIYYVQNKZKKP-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@H](Nc2cnc(-c3nn[n-]n3)cn2)c2ccccn2)c1 ZINC001592655256 1349700420 /nfs/dbraw/zinc/70/04/20/1349700420.db2.gz QCJIYYVQNKZKKP-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM O=C(NCCC(F)(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593055918 1349734977 /nfs/dbraw/zinc/73/49/77/1349734977.db2.gz AYIFXWSLFHGXKU-UHFFFAOYSA-N -1 1 341.706 2.051 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC001593146249 1349742083 /nfs/dbraw/zinc/74/20/83/1349742083.db2.gz MEGXACHRSFHDAQ-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC001593146249 1349742086 /nfs/dbraw/zinc/74/20/86/1349742086.db2.gz MEGXACHRSFHDAQ-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC2(C1)CCCCC2 ZINC001593256353 1349752807 /nfs/dbraw/zinc/75/28/07/1349752807.db2.gz QERAHBOMDONYIZ-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC2(C1)CCCCC2 ZINC001593256353 1349752812 /nfs/dbraw/zinc/75/28/12/1349752812.db2.gz QERAHBOMDONYIZ-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(OC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593284751 1349763526 /nfs/dbraw/zinc/76/35/26/1349763526.db2.gz RWTKBLDXZOMUPZ-LBPRGKRZSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001593348686 1349787835 /nfs/dbraw/zinc/78/78/35/1349787835.db2.gz LHQKKIMLXSDVCF-SOUVJXGZSA-N -1 1 346.394 2.137 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001593348686 1349787841 /nfs/dbraw/zinc/78/78/41/1349787841.db2.gz LHQKKIMLXSDVCF-SOUVJXGZSA-N -1 1 346.394 2.137 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001593369758 1349792194 /nfs/dbraw/zinc/79/21/94/1349792194.db2.gz PXTCUICSJNBZOH-CQSZACIVSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001593369758 1349792197 /nfs/dbraw/zinc/79/21/97/1349792197.db2.gz PXTCUICSJNBZOH-CQSZACIVSA-N -1 1 339.355 2.064 20 0 EEADMM O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593416222 1349799309 /nfs/dbraw/zinc/79/93/09/1349799309.db2.gz VWHRQOSGNMSOST-UHFFFAOYSA-N -1 1 346.416 2.073 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593490847 1349817613 /nfs/dbraw/zinc/81/76/13/1349817613.db2.gz PFJCPPWVWFPBBP-IVZWLZJFSA-N -1 1 348.204 2.003 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC[C@H](O)c2ccccc2)c2ccccc12 ZINC001593493664 1349818210 /nfs/dbraw/zinc/81/82/10/1349818210.db2.gz AMJYSJSFJBCGSO-KRWDZBQOSA-N -1 1 347.378 2.305 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCC2SCCS2)c2ccccc12 ZINC001593495271 1349819593 /nfs/dbraw/zinc/81/95/93/1349819593.db2.gz SEWLCKJDKKJDLQ-UHFFFAOYSA-N -1 1 345.453 2.378 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc(-c2ccsc2)cc1 ZINC001593495730 1349819984 /nfs/dbraw/zinc/81/99/84/1349819984.db2.gz SGLDJWOCISZFLR-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM O=c1ccc(-c2ccccc2)nn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593496213 1349820011 /nfs/dbraw/zinc/82/00/11/1349820011.db2.gz DQWMLSLYGVKYPD-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593518925 1349830235 /nfs/dbraw/zinc/83/02/35/1349830235.db2.gz GTWDRMNOFKCYCN-ADEWGFFLSA-N -1 1 334.811 2.045 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593518925 1349830240 /nfs/dbraw/zinc/83/02/40/1349830240.db2.gz GTWDRMNOFKCYCN-ADEWGFFLSA-N -1 1 334.811 2.045 20 0 EEADMM c1cc(NCCc2nc3c(s2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001593561233 1349850284 /nfs/dbraw/zinc/85/02/84/1349850284.db2.gz STWRIHDRYWYCOJ-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM c1cc(NCCc2nc3c(s2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001593561233 1349850286 /nfs/dbraw/zinc/85/02/86/1349850286.db2.gz STWRIHDRYWYCOJ-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1ncc(-c2ccccc2)o1 ZINC001593568150 1349854012 /nfs/dbraw/zinc/85/40/12/1349854012.db2.gz BFDMUAQHXBIQFF-UHFFFAOYSA-N -1 1 332.327 2.019 20 0 EEADMM c1cncc(COc2cccc(Nc3cncc(-c4nnn[n-]4)n3)c2)c1 ZINC001593587716 1349866736 /nfs/dbraw/zinc/86/67/36/1349866736.db2.gz NLQPYQHPFVYYCH-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1cncc(COc2cccc(Nc3cncc(-c4nn[n-]n4)n3)c2)c1 ZINC001593587716 1349866738 /nfs/dbraw/zinc/86/67/38/1349866738.db2.gz NLQPYQHPFVYYCH-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM Cc1cc(C)c(NC(=O)CN[C@]2(CC(=O)[O-])CCOC2)c(Cl)c1 ZINC001600162153 1349983554 /nfs/dbraw/zinc/98/35/54/1349983554.db2.gz NPGKYPPGGHTYCU-INIZCTEOSA-N -1 1 340.807 2.119 20 0 EEADMM Cc1ccc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])cc1Br ZINC001600410922 1350043513 /nfs/dbraw/zinc/04/35/13/1350043513.db2.gz RGRDZRCCAAVGAX-UHFFFAOYSA-N -1 1 330.178 2.119 20 0 EEADMM Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2cn(CC(=O)[O-])nn2)c1 ZINC001600544230 1350078547 /nfs/dbraw/zinc/07/85/47/1350078547.db2.gz FGQJBAQXSHLPSI-DLBZAZTESA-N -1 1 344.415 2.151 20 0 EEADMM Cc1nn[nH]c1C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001600675460 1350114538 /nfs/dbraw/zinc/11/45/38/1350114538.db2.gz AOZDCDLSFZFUPJ-LLVKDONJSA-N -1 1 343.170 2.318 20 0 EEADMM Cc1nc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)sc1C(=O)[O-] ZINC001600711975 1350119734 /nfs/dbraw/zinc/11/97/34/1350119734.db2.gz KTWCKDIEIMNATF-AWEZNQCLSA-N -1 1 329.397 2.301 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n[nH]1 ZINC001600792421 1350138395 /nfs/dbraw/zinc/13/83/95/1350138395.db2.gz OFKJRPWHIFRIOD-RKDXNWHRSA-N -1 1 334.401 2.169 20 0 EEADMM Cc1scc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C ZINC001600890592 1350161357 /nfs/dbraw/zinc/16/13/57/1350161357.db2.gz VKQHEVFOTBGUJA-LLVKDONJSA-N -1 1 339.461 2.055 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cn3ncc4ccccc43)[nH]c21 ZINC001601391907 1350272925 /nfs/dbraw/zinc/27/29/25/1350272925.db2.gz VUMOTPJRUBDOGG-UHFFFAOYSA-N -1 1 335.323 2.250 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001601565375 1350308228 /nfs/dbraw/zinc/30/82/28/1350308228.db2.gz VUMZVJBDTYREDJ-AWEZNQCLSA-N -1 1 344.758 2.037 20 0 EEADMM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc2[nH]ccc21 ZINC001601585668 1350313256 /nfs/dbraw/zinc/31/32/56/1350313256.db2.gz MNPCGTZWZOOMNR-SECBINFHSA-N -1 1 339.355 2.268 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(CNC/C(Cl)=C\Cl)CCCC1 ZINC001601782823 1350363929 /nfs/dbraw/zinc/36/39/29/1350363929.db2.gz YYCSEGDZMKEGJE-MXJKNTAJSA-N -1 1 335.231 2.045 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@@H](Cc2ccccc2)OC1=O ZINC001601949628 1350404052 /nfs/dbraw/zinc/40/40/52/1350404052.db2.gz QTCTVFBATDDPFA-HZPDHXFCSA-N -1 1 332.400 2.337 20 0 EEADMM O=C([O-])COc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001602082109 1350432615 /nfs/dbraw/zinc/43/26/15/1350432615.db2.gz FRYMVSIUUUUUMQ-KRWDZBQOSA-N -1 1 338.367 2.147 20 0 EEADMM O=C([O-])Cc1ccnc(NCC2(CN3CCOCC3)CCCCC2)c1 ZINC001602149880 1350451676 /nfs/dbraw/zinc/45/16/76/1350451676.db2.gz CCXZIZSLVGZUJS-UHFFFAOYSA-N -1 1 347.459 2.403 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001602173325 1350457496 /nfs/dbraw/zinc/45/74/96/1350457496.db2.gz VEXHENPGDHSVNL-XLAORIBOSA-N -1 1 342.439 2.363 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)c[nH]1 ZINC001602245301 1350474989 /nfs/dbraw/zinc/47/49/89/1350474989.db2.gz SAMFAZWTNAJHGF-MRXNPFEDSA-N -1 1 336.351 2.224 20 0 EEADMM O=C([O-])c1cc(C2CCN(C[C@H](O)c3cccc(F)c3)CC2)no1 ZINC001602252150 1350477415 /nfs/dbraw/zinc/47/74/15/1350477415.db2.gz ABEBSPGLGVHDHI-HNNXBMFYSA-N -1 1 334.347 2.425 20 0 EEADMM O=C([O-])c1cc(CN2CCc3cc[nH]c(=O)c3C2)n2c1CCCC2 ZINC001602254935 1350478844 /nfs/dbraw/zinc/47/88/44/1350478844.db2.gz CMTZTQYADXRSIH-UHFFFAOYSA-N -1 1 327.384 2.182 20 0 EEADMM O=C([O-])c1ccc(Br)c(CN2CCC[C@H]2CCO)c1 ZINC001602314180 1350490999 /nfs/dbraw/zinc/49/09/99/1350490999.db2.gz UBTPVJVNXJTWSW-LBPRGKRZSA-N -1 1 328.206 2.494 20 0 EEADMM O=C([O-])c1ccc(CO)c(-c2ccc(CCN3CCOCC3)cc2)c1 ZINC001602352346 1350502176 /nfs/dbraw/zinc/50/21/76/1350502176.db2.gz NICVVTAZDINPGD-UHFFFAOYSA-N -1 1 341.407 2.419 20 0 EEADMM O=C([O-])c1cccc2c1CN([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)CC2 ZINC001602458987 1350523753 /nfs/dbraw/zinc/52/37/53/1350523753.db2.gz GYEQXXOFFODSHS-KBRIMQKVSA-N -1 1 328.412 2.190 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](CC[C@@H]3CC3(Cl)Cl)C2)nn1 ZINC001602495388 1350531936 /nfs/dbraw/zinc/53/19/36/1350531936.db2.gz RZJRKDFQSVFBFO-NXEZZACHSA-N -1 1 333.219 2.197 20 0 EEADMM 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/nfs/dbraw/zinc/05/43/99/1351054399.db2.gz WGZCESSTOWLRIK-GFCCVEGCSA-N -1 1 331.401 2.058 20 0 EEADMM COC1(c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)CCCCC1 ZINC001605021849 1351057731 /nfs/dbraw/zinc/05/77/31/1351057731.db2.gz VHZKBOVEGDDPIX-UHFFFAOYSA-N -1 1 341.375 2.041 20 0 EEADMM COC1(c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)CCCCC1 ZINC001605021849 1351057736 /nfs/dbraw/zinc/05/77/36/1351057736.db2.gz VHZKBOVEGDDPIX-UHFFFAOYSA-N -1 1 341.375 2.041 20 0 EEADMM COC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001605071271 1351071510 /nfs/dbraw/zinc/07/15/10/1351071510.db2.gz CVXJXYXEYVRUBK-LBPRGKRZSA-N -1 1 339.403 2.063 20 0 EEADMM COC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001605071271 1351071514 /nfs/dbraw/zinc/07/15/14/1351071514.db2.gz CVXJXYXEYVRUBK-LBPRGKRZSA-N -1 1 339.403 2.063 20 0 EEADMM COCCOc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605120481 1351081507 /nfs/dbraw/zinc/08/15/07/1351081507.db2.gz AQMFFPGFPXBFLI-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COCCOc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605120481 1351081510 /nfs/dbraw/zinc/08/15/10/1351081510.db2.gz AQMFFPGFPXBFLI-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COCc1ccccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605133950 1351084869 /nfs/dbraw/zinc/08/48/69/1351084869.db2.gz WJKLIFAFXPBZHW-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COc1ccc(C(C)(C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1F ZINC001605263824 1351119172 /nfs/dbraw/zinc/11/91/72/1351119172.db2.gz PDLYNUMABFYGLS-UHFFFAOYSA-N -1 1 345.334 2.273 20 0 EEADMM COc1ccc(C(C)(C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1F ZINC001605263824 1351119173 /nfs/dbraw/zinc/11/91/73/1351119173.db2.gz PDLYNUMABFYGLS-UHFFFAOYSA-N -1 1 345.334 2.273 20 0 EEADMM CSCC[C@@H](C)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001605376513 1351148421 /nfs/dbraw/zinc/14/84/21/1351148421.db2.gz LGIMHECWLHHHCD-MRVPVSSYSA-N -1 1 341.387 2.359 20 0 EEADMM CSCC[C@@H](C)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001605376513 1351148423 /nfs/dbraw/zinc/14/84/23/1351148423.db2.gz LGIMHECWLHHHCD-MRVPVSSYSA-N -1 1 341.387 2.359 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC2CCC(F)(F)CC2)nn1C ZINC001605465986 1351164079 /nfs/dbraw/zinc/16/40/79/1351164079.db2.gz ULXNKHIACYNQKZ-UHFFFAOYSA-N -1 1 339.350 2.063 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC2CCC(F)(F)CC2)nn1C ZINC001605465986 1351164082 /nfs/dbraw/zinc/16/40/82/1351164082.db2.gz ULXNKHIACYNQKZ-UHFFFAOYSA-N -1 1 339.350 2.063 20 0 EEADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001605499675 1351172501 /nfs/dbraw/zinc/17/25/01/1351172501.db2.gz XNRUPDWWFQGZQA-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001605499675 1351172502 /nfs/dbraw/zinc/17/25/02/1351172502.db2.gz XNRUPDWWFQGZQA-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM CCOC(=O)c1cccc(CNCc2ccc(CC(=O)[O-])cc2)n1 ZINC001605573988 1351192392 /nfs/dbraw/zinc/19/23/92/1351192392.db2.gz GBFPHPNLEQZERU-UHFFFAOYSA-N -1 1 328.368 2.175 20 0 EEADMM CCO[C@H]1C[C@H](N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C)C1(CC)CC ZINC001605600506 1351198338 /nfs/dbraw/zinc/19/83/38/1351198338.db2.gz UXPRZTCPJKSDIG-DZKIICNBSA-N -1 1 342.480 2.127 20 0 EEADMM Cc1cc(NC[C@H]2CCCN2CC(F)(F)F)nc(-c2nnn[n-]2)c1 ZINC001605729318 1351218768 /nfs/dbraw/zinc/21/87/68/1351218768.db2.gz ADTSXOQEWUAIDR-SNVBAGLBSA-N -1 1 341.341 2.009 20 0 EEADMM Cc1cc(NC[C@H]2CCCN2CC(F)(F)F)nc(-c2nn[n-]n2)c1 ZINC001605729318 1351218774 /nfs/dbraw/zinc/21/87/74/1351218774.db2.gz ADTSXOQEWUAIDR-SNVBAGLBSA-N -1 1 341.341 2.009 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605838986 1351232590 /nfs/dbraw/zinc/23/25/90/1351232590.db2.gz GYRRKEDPDKPJBU-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605838986 1351232591 /nfs/dbraw/zinc/23/25/91/1351232591.db2.gz GYRRKEDPDKPJBU-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM CCc1nc(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cs1 ZINC001605852107 1351236841 /nfs/dbraw/zinc/23/68/41/1351236841.db2.gz VROSSHYXWUTDRV-UHFFFAOYSA-N -1 1 330.369 2.461 20 0 EEADMM Cc1ccc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605865135 1351240441 /nfs/dbraw/zinc/24/04/41/1351240441.db2.gz SKZQIEMTXDLFHA-QGZVFWFLSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605865135 1351240443 /nfs/dbraw/zinc/24/04/43/1351240443.db2.gz SKZQIEMTXDLFHA-QGZVFWFLSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N[C@H]2CCN(c3ccc(F)cc3)C2)nc1-c1nnn[n-]1 ZINC001605871560 1351242405 /nfs/dbraw/zinc/24/24/05/1351242405.db2.gz HDMITROWIKXVMR-ZDUSSCGKSA-N -1 1 339.378 2.400 20 0 EEADMM Cc1ccc(N[C@H]2CCN(c3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001605871560 1351242408 /nfs/dbraw/zinc/24/24/08/1351242408.db2.gz HDMITROWIKXVMR-ZDUSSCGKSA-N -1 1 339.378 2.400 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC001605883407 1351245842 /nfs/dbraw/zinc/24/58/42/1351245842.db2.gz VXFQQCNTXYWZEM-BZNIZROVSA-N -1 1 330.384 2.287 20 0 EEADMM Cc1nsc(NC[C@]2(CO)C[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001606158834 1351279274 /nfs/dbraw/zinc/27/92/74/1351279274.db2.gz PZYMUCSNHWGJJD-WBMJQRKESA-N -1 1 342.428 2.210 20 0 EEADMM Cc1nsc(NC[C@H]2CCCN2CC(F)(F)F)c1-c1nn[n-]n1 ZINC001606159454 1351279345 /nfs/dbraw/zinc/27/93/45/1351279345.db2.gz YWNRSVFGQCNDST-MRVPVSSYSA-N -1 1 347.370 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC001606165877 1351279800 /nfs/dbraw/zinc/27/98/00/1351279800.db2.gz LJCJZKSPHPZOGS-AWEZNQCLSA-N -1 1 345.403 2.189 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC001606165877 1351279801 /nfs/dbraw/zinc/27/98/01/1351279801.db2.gz LJCJZKSPHPZOGS-AWEZNQCLSA-N -1 1 345.403 2.189 20 0 EEADMM Clc1nsc(N[C@H]2CCO[C@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001606200754 1351284561 /nfs/dbraw/zinc/28/45/61/1351284561.db2.gz DJLYKIFGYMHKIE-YUMQZZPRSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@H]2CCO[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001606200754 1351284565 /nfs/dbraw/zinc/28/45/65/1351284565.db2.gz DJLYKIFGYMHKIE-YUMQZZPRSA-N -1 1 326.813 2.346 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001606236458 1351286990 /nfs/dbraw/zinc/28/69/90/1351286990.db2.gz YQXHDUOABVZNNH-QMMMGPOBSA-N -1 1 349.189 2.221 20 0 EEADMM CN1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001606236458 1351286991 /nfs/dbraw/zinc/28/69/91/1351286991.db2.gz YQXHDUOABVZNNH-QMMMGPOBSA-N -1 1 349.189 2.221 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001606291196 1351289230 /nfs/dbraw/zinc/28/92/30/1351289230.db2.gz ZGIBRQKNOORZIJ-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001606291196 1351289233 /nfs/dbraw/zinc/28/92/33/1351289233.db2.gz ZGIBRQKNOORZIJ-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1(c2ccccc2)CC1 ZINC001606594809 1351328624 /nfs/dbraw/zinc/32/86/24/1351328624.db2.gz NCASHOAUJQGGKO-UHFFFAOYSA-N -1 1 348.410 2.042 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1(c2ccccc2)CC1 ZINC001606594809 1351328628 /nfs/dbraw/zinc/32/86/28/1351328628.db2.gz NCASHOAUJQGGKO-UHFFFAOYSA-N -1 1 348.410 2.042 20 0 EEADMM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606598801 1351329967 /nfs/dbraw/zinc/32/99/67/1351329967.db2.gz VEAMXHRIQARAJY-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606598801 1351329972 /nfs/dbraw/zinc/32/99/72/1351329972.db2.gz VEAMXHRIQARAJY-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM COC(=O)c1cccc(CN2CCOc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001606617001 1351332604 /nfs/dbraw/zinc/33/26/04/1351332604.db2.gz WGMSPQRAWYLBFI-KRWDZBQOSA-N -1 1 341.363 2.494 20 0 EEADMM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1coc(-c2nnn[n-]2)c1 ZINC001606763030 1351353034 /nfs/dbraw/zinc/35/30/34/1351353034.db2.gz AGBNZTDBXZUEJO-MRVPVSSYSA-N -1 1 330.175 2.164 20 0 EEADMM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1coc(-c2nn[n-]n2)c1 ZINC001606763030 1351353037 /nfs/dbraw/zinc/35/30/37/1351353037.db2.gz AGBNZTDBXZUEJO-MRVPVSSYSA-N -1 1 330.175 2.164 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606876113 1351369010 /nfs/dbraw/zinc/36/90/10/1351369010.db2.gz MOKFECZSLBPPBO-GXTWGEPZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606876113 1351369015 /nfs/dbraw/zinc/36/90/15/1351369015.db2.gz MOKFECZSLBPPBO-GXTWGEPZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCC[C@H](F)C1 ZINC001606950095 1351383142 /nfs/dbraw/zinc/38/31/42/1351383142.db2.gz PUJZJXANHYHXDR-RITPCOANSA-N -1 1 330.776 2.443 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCOC2(CCCC2)C1 ZINC001606953709 1351383889 /nfs/dbraw/zinc/38/38/89/1351383889.db2.gz ZDXLHXCSOBXKEL-VIFPVBQESA-N -1 1 334.405 2.001 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCOC2(CCCC2)C1 ZINC001606953709 1351383891 /nfs/dbraw/zinc/38/38/91/1351383891.db2.gz ZDXLHXCSOBXKEL-VIFPVBQESA-N -1 1 334.405 2.001 20 0 EEADMM O=C(OCc1ccccc1-c1nn[nH]n1)c1c([O-])cc(F)cc1F ZINC001606983400 1351392531 /nfs/dbraw/zinc/39/25/31/1351392531.db2.gz WEALOEXIXRLAFS-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001607017561 1351398653 /nfs/dbraw/zinc/39/86/53/1351398653.db2.gz XIWZESZISIEZAW-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001607017561 1351398655 /nfs/dbraw/zinc/39/86/55/1351398655.db2.gz XIWZESZISIEZAW-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(CCc1ccccc1)C1CC1 ZINC001607025546 1351399430 /nfs/dbraw/zinc/39/94/30/1351399430.db2.gz JDAJAZQFFOGRQT-UHFFFAOYSA-N -1 1 334.383 2.109 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(CCc1ccccc1)C1CC1 ZINC001607025546 1351399432 /nfs/dbraw/zinc/39/94/32/1351399432.db2.gz JDAJAZQFFOGRQT-UHFFFAOYSA-N -1 1 334.383 2.109 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1cnc(Cl)s1 ZINC001607090396 1351414088 /nfs/dbraw/zinc/41/40/88/1351414088.db2.gz OTBSKHKIIYOMDV-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O[C@@H](CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001607091934 1351414774 /nfs/dbraw/zinc/41/47/74/1351414774.db2.gz MURDUPBWNXIASZ-AWEZNQCLSA-N -1 1 337.387 2.070 20 0 EEADMM O[C@@H](CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001607091934 1351414775 /nfs/dbraw/zinc/41/47/75/1351414775.db2.gz MURDUPBWNXIASZ-AWEZNQCLSA-N -1 1 337.387 2.070 20 0 EEADMM c1ccc(COCCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001607129470 1351431174 /nfs/dbraw/zinc/43/11/74/1351431174.db2.gz UGEIXIPTIBQYDI-UHFFFAOYSA-N -1 1 337.387 2.163 20 0 EEADMM c1ccc(COCCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001607129470 1351431175 /nfs/dbraw/zinc/43/11/75/1351431175.db2.gz UGEIXIPTIBQYDI-UHFFFAOYSA-N -1 1 337.387 2.163 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)cc(C=O)c1O ZINC001607133880 1351434611 /nfs/dbraw/zinc/43/46/11/1351434611.db2.gz BFMVPKMKBDWMGM-UHFFFAOYSA-N -1 1 329.308 2.472 20 0 EEADMM COc1ccc([C@H](CCO)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001607224231 1351452821 /nfs/dbraw/zinc/45/28/21/1351452821.db2.gz IJOZWZMBKPOYKR-LSDHHAIUSA-N -1 1 345.399 2.138 20 0 EEADMM COc1cccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2cccnc2)c1 ZINC001607326413 1351474608 /nfs/dbraw/zinc/47/46/08/1351474608.db2.gz QFLARLDZJCYUHC-GOSISDBHSA-N -1 1 343.383 2.008 20 0 EEADMM COc1nsc(CNCc2c[nH]c(=O)c3ccccc23)c1C(=O)[O-] ZINC001607364295 1351483171 /nfs/dbraw/zinc/48/31/71/1351483171.db2.gz QIJKCIMMDKXHAB-UHFFFAOYSA-N -1 1 345.380 2.394 20 0 EEADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cn2)C[C@H]1NC(=O)OC(C)(C)C ZINC001607438561 1351494753 /nfs/dbraw/zinc/49/47/53/1351494753.db2.gz SSDYRJVAFBKMHC-BXUZGUMPSA-N -1 1 335.404 2.125 20 0 EEADMM C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001607454171 1351496917 /nfs/dbraw/zinc/49/69/17/1351496917.db2.gz UNQHMRUCZIIMST-RGPZOAQRSA-N -1 1 345.443 2.059 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@@H]1CCSc2c(Cl)cccc21)C(=O)[O-] ZINC001607459729 1351497380 /nfs/dbraw/zinc/49/73/80/1351497380.db2.gz JJMAWYZURXYBQW-HOTUBEGUSA-N -1 1 342.848 2.444 20 0 EEADMM Cc1cc(C)nc(N2CCN(Cc3ccccc3CC(=O)[O-])CC2)n1 ZINC001607632912 1351529457 /nfs/dbraw/zinc/52/94/57/1351529457.db2.gz ROZJUIORKXSNEB-UHFFFAOYSA-N -1 1 340.427 2.043 20 0 EEADMM Cc1ccc(C(=O)NCCNCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001607732046 1351548353 /nfs/dbraw/zinc/54/83/53/1351548353.db2.gz FGAGFNUJTQXWLH-CMDGGOBGSA-N -1 1 328.368 2.205 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001607744031 1351550762 /nfs/dbraw/zinc/55/07/62/1351550762.db2.gz WALCOJMAKPKTLK-ZIAGYGMSSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1ccc(NC(=O)CNCc2ccc(C(=O)[O-])n2C)c(Cl)c1 ZINC001607801689 1351562287 /nfs/dbraw/zinc/56/22/87/1351562287.db2.gz MWTYJZOTGGECNB-UHFFFAOYSA-N -1 1 335.791 2.413 20 0 EEADMM Cc1ccc2c(cnn2CN2CCS[C@@H]3COCC[C@H]32)c1C(=O)[O-] ZINC001607834227 1351567888 /nfs/dbraw/zinc/56/78/88/1351567888.db2.gz UAQKNDDZPVDUBA-HUUCEWRRSA-N -1 1 347.440 2.207 20 0 EEADMM Cc1nc([C@@H](C)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n[nH]1 ZINC001607935696 1351589149 /nfs/dbraw/zinc/58/91/49/1351589149.db2.gz WDHAKDOZATZNKG-OXHMUOHRSA-N -1 1 336.342 2.253 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)CC[C@H]1CCc2ccccc21 ZINC001608303637 1351666982 /nfs/dbraw/zinc/66/69/82/1351666982.db2.gz GUQNXZGZBWLXKE-CZUORRHYSA-N -1 1 327.384 2.032 20 0 EEADMM C[C@@H]1CC(=O)NN=C1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000038462729 1352430565 /nfs/dbraw/zinc/43/05/65/1352430565.db2.gz RIGIOYFRDXSKIH-GFCCVEGCSA-N -1 1 343.408 2.348 20 0 EEADMM COc1ccccc1[C@@H](NC(=O)CCCc1nn[n-]n1)c1ccco1 ZINC001625657283 1352454496 /nfs/dbraw/zinc/45/44/96/1352454496.db2.gz NFXWGNXAAVGHIU-QGZVFWFLSA-N -1 1 341.371 2.030 20 0 EEADMM Cc1nnnn1-c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC001632287164 1352595749 /nfs/dbraw/zinc/59/57/49/1352595749.db2.gz XNQVSNZTJMUKBV-UHFFFAOYSA-N -1 1 331.282 2.207 20 0 EEADMM O=C(c1ccc(-c2c[nH]cn2)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001634843244 1352635592 /nfs/dbraw/zinc/63/55/92/1352635592.db2.gz QXJQGLPKBGZUSZ-ZDUSSCGKSA-N -1 1 339.355 2.185 20 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O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccncc1N1CCCC1 ZINC001361868752 1373349592 /nfs/dbraw/zinc/34/95/92/1373349592.db2.gz DKIWCXQYTMJDRR-UHFFFAOYSA-N -1 1 339.399 2.309 20 0 EEADMM COC(=O)CCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001362107660 1373364995 /nfs/dbraw/zinc/36/49/95/1373364995.db2.gz CFHPAKZJLXOJCC-UHFFFAOYSA-N -1 1 341.367 2.418 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC(=O)N(Cc2ccccc2)C1 ZINC001362251198 1373382609 /nfs/dbraw/zinc/38/26/09/1373382609.db2.gz XXVRJDMVOPKPLV-UHFFFAOYSA-N -1 1 344.798 2.417 20 0 EEADMM CCC(CC)(NC(=O)C[C@@H]1CSc2ccccc2O1)c1nn[n-]n1 ZINC001362626374 1373439537 /nfs/dbraw/zinc/43/95/37/1373439537.db2.gz RNZYHJXEVBSALZ-LLVKDONJSA-N -1 1 347.444 2.275 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Nc3cc(-c4ccccc4)[nH]n3)ccnc1-2 ZINC001365052215 1373657996 /nfs/dbraw/zinc/65/79/96/1373657996.db2.gz WYAYSIQKRYYWHY-UHFFFAOYSA-N -1 1 333.355 2.376 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2F)c(F)c1 ZINC001365128692 1373673271 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CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001576696694 1403598243 /nfs/dbraw/zinc/59/82/43/1403598243.db2.gz OPKKDNPXSWUJKT-NSHDSACASA-N -1 1 325.376 2.123 20 0 EEADMM CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC001576696694 1403598248 /nfs/dbraw/zinc/59/82/48/1403598248.db2.gz OPKKDNPXSWUJKT-NSHDSACASA-N -1 1 325.376 2.123 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)[C@@H]1OC ZINC001577111899 1403624205 /nfs/dbraw/zinc/62/42/05/1403624205.db2.gz ZAMKGCOJSNQRHN-BIMULSAOSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)[C@@H]1OC ZINC001577111899 1403624209 /nfs/dbraw/zinc/62/42/09/1403624209.db2.gz ZAMKGCOJSNQRHN-BIMULSAOSA-N -1 1 349.460 2.498 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001577265749 1403630749 /nfs/dbraw/zinc/63/07/49/1403630749.db2.gz YBMOZVXWXDGZPV-GFCCVEGCSA-N -1 1 348.476 2.009 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC001578398131 1403746524 /nfs/dbraw/zinc/74/65/24/1403746524.db2.gz OWWHGMSNYIKOOB-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC001578398131 1403746532 /nfs/dbraw/zinc/74/65/32/1403746532.db2.gz OWWHGMSNYIKOOB-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM COc1cc(Br)ccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001579888678 1403792373 /nfs/dbraw/zinc/79/23/73/1403792373.db2.gz JSXSHHQKERFZEI-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1cc(Br)ccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001579888678 1403792379 /nfs/dbraw/zinc/79/23/79/1403792379.db2.gz JSXSHHQKERFZEI-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM CCOC(=O)[C@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CCCC1 ZINC001590751770 1403893029 /nfs/dbraw/zinc/89/30/29/1403893029.db2.gz ANFIEFBVXSKDRO-CYBMUJFWSA-N -1 1 348.359 2.047 20 0 EEADMM CCOC(=O)[C@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CCCC1 ZINC001590751770 1403893038 /nfs/dbraw/zinc/89/30/38/1403893038.db2.gz ANFIEFBVXSKDRO-CYBMUJFWSA-N -1 1 348.359 2.047 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001591335626 1403905372 /nfs/dbraw/zinc/90/53/72/1403905372.db2.gz JBXRSTISMYDBFD-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001591335626 1403905380 /nfs/dbraw/zinc/90/53/80/1403905380.db2.gz JBXRSTISMYDBFD-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC001592128172 1404001031 /nfs/dbraw/zinc/00/10/31/1404001031.db2.gz BATUJRLYLCIOBR-UHFFFAOYSA-N -1 1 337.387 2.019 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC001592128172 1404001038 /nfs/dbraw/zinc/00/10/38/1404001038.db2.gz BATUJRLYLCIOBR-UHFFFAOYSA-N -1 1 337.387 2.019 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3ccccc3nc2C)c1-c1nn[n-]n1 ZINC001592405350 1404029067 /nfs/dbraw/zinc/02/90/67/1404029067.db2.gz ZFOVVVPRZVTSBO-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCCC12CCCCC2 ZINC001592913404 1404729169 /nfs/dbraw/zinc/72/91/69/1404729169.db2.gz GDCQJCZKFWAJEL-UHFFFAOYSA-N -1 1 326.404 2.130 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCCC12CCCCC2 ZINC001592913404 1404729172 /nfs/dbraw/zinc/72/91/72/1404729172.db2.gz GDCQJCZKFWAJEL-UHFFFAOYSA-N -1 1 326.404 2.130 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1cccs1 ZINC001592913279 1404729796 /nfs/dbraw/zinc/72/97/96/1404729796.db2.gz BBLHZPQPRTYYAP-ZDUSSCGKSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1cccs1 ZINC001592913279 1404729800 /nfs/dbraw/zinc/72/98/00/1404729800.db2.gz BBLHZPQPRTYYAP-ZDUSSCGKSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001593003435 1404733403 /nfs/dbraw/zinc/73/34/03/1404733403.db2.gz FGXODTZLQAFZNW-JSGCOSHPSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001593003435 1404733405 /nfs/dbraw/zinc/73/34/05/1404733405.db2.gz FGXODTZLQAFZNW-JSGCOSHPSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(NCC1Cc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001593047214 1404739744 /nfs/dbraw/zinc/73/97/44/1404739744.db2.gz HLZIYRCOYVHLFP-UHFFFAOYSA-N -1 1 325.397 2.073 20 0 EEADMM O=C(NCC1Cc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001593047214 1404739747 /nfs/dbraw/zinc/73/97/47/1404739747.db2.gz HLZIYRCOYVHLFP-UHFFFAOYSA-N -1 1 325.397 2.073 20 0 EEADMM Cc1nsc(N2CCC[C@@](O)(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC001606145185 1404767152 /nfs/dbraw/zinc/76/71/52/1404767152.db2.gz YTUONJMPVGFDEY-INIZCTEOSA-N -1 1 342.428 2.120 20 0 EEADMM Fc1cccc2c1OCCC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606332593 1404795397 /nfs/dbraw/zinc/79/53/97/1404795397.db2.gz NAFGAOLRMKAVTR-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc2c1OCCC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606332593 1404795406 /nfs/dbraw/zinc/79/54/06/1404795406.db2.gz NAFGAOLRMKAVTR-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1noc(C)n1 ZINC000122381563 1404924370 /nfs/dbraw/zinc/92/43/70/1404924370.db2.gz SHIQDIRMXHHXBQ-NSHDSACASA-N -1 1 331.344 2.394 20 0 EEADMM O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([O-])cc1F ZINC000165828805 1405716931 /nfs/dbraw/zinc/71/69/31/1405716931.db2.gz SBKZKENRABYWRD-LBPRGKRZSA-N -1 1 328.343 2.346 20 0 EEADMM CC/C=C(/C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001756934435 1409524977 /nfs/dbraw/zinc/52/49/77/1409524977.db2.gz AHCZIZZUIDCRJP-CGHRZIEDSA-N -1 1 345.443 2.358 20 0 EEADMM CC/C=C(/C)C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001757043250 1409560018 /nfs/dbraw/zinc/56/00/18/1409560018.db2.gz SFQZZBNLHGUADF-JRCDZIRSSA-N -1 1 343.427 2.301 20 0 EEADMM COC(=O)c1sccc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000314110516 1409825977 /nfs/dbraw/zinc/82/59/77/1409825977.db2.gz CPBZZBPNLPTANW-UHFFFAOYSA-N -1 1 336.394 2.348 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2CN(Cc3cc4ccccc4o3)C2)c1[O-] ZINC001031617942 770285555 /nfs/dbraw/zinc/28/55/55/770285555.db2.gz VOADMFUFNMPFEM-UHFFFAOYSA-N -1 1 340.383 2.032 20 0 EEADMM CCC(CC)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979697377 770879488 /nfs/dbraw/zinc/87/94/88/770879488.db2.gz ITLGVXKNQTXILG-RRFJBIMHSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942667895 782974640 /nfs/dbraw/zinc/97/46/40/782974640.db2.gz IHYPSKFTOGFKBA-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM CN1CC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000921414740 773344535 /nfs/dbraw/zinc/34/45/35/773344535.db2.gz VWSQLFFXBDENSC-MRVPVSSYSA-N -1 1 342.770 2.341 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccn1)C1CC1 ZINC000921429811 773367093 /nfs/dbraw/zinc/36/70/93/773367093.db2.gz FOFVXPATQNJOQJ-LBPRGKRZSA-N -1 1 340.836 2.207 20 0 EEADMM O=C(NC[C@H]1CCCN1C/C(Cl)=C/Cl)c1ncccc1[O-] ZINC001027844206 773431919 /nfs/dbraw/zinc/43/19/19/773431919.db2.gz OEIZOTXQGNTFNM-ZJRUKIMVSA-N -1 1 330.215 2.300 20 0 EEADMM CCCc1nsc(N(CC)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001089637190 773640442 /nfs/dbraw/zinc/64/04/42/773640442.db2.gz NNLTYPOYJGTEEU-LLVKDONJSA-N -1 1 349.460 2.236 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC000942755644 783139156 /nfs/dbraw/zinc/13/91/56/783139156.db2.gz HXHUOHWIEICMMA-KGLIPLIRSA-N -1 1 333.432 2.142 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000938569825 774138969 /nfs/dbraw/zinc/13/89/69/774138969.db2.gz RBVXSQWHWYKUKL-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)c2ccnc(C)n2)CC1 ZINC000068452856 774562565 /nfs/dbraw/zinc/56/25/65/774562565.db2.gz KPIBBNUGARSELM-UHFFFAOYSA-N -1 1 332.433 2.079 20 0 EEADMM Cc1ccc(C(=O)N2CCCCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)s1 ZINC001088252451 783218642 /nfs/dbraw/zinc/21/86/42/783218642.db2.gz RKASQUWIJZZSHX-GFCCVEGCSA-N -1 1 349.460 2.055 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000939134569 775624832 /nfs/dbraw/zinc/62/48/32/775624832.db2.gz FRQZMNGGDBLIBO-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)c(C)n1 ZINC000981026839 776402663 /nfs/dbraw/zinc/40/26/63/776402663.db2.gz MZDXVNZRMWJUAB-UHFFFAOYSA-N -1 1 340.427 2.147 20 0 EEADMM O=C([O-])C[C@@]1(NCc2ncc(Br)cc2F)CCCOC1 ZINC000901525175 777896163 /nfs/dbraw/zinc/89/61/63/777896163.db2.gz UGSKVMGDIATMKR-ZDUSSCGKSA-N -1 1 347.184 2.097 20 0 EEADMM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000940135557 778145286 /nfs/dbraw/zinc/14/52/86/778145286.db2.gz DKBCSILQVGZHCB-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1sccc1Br ZINC000228547907 790631985 /nfs/dbraw/zinc/63/19/85/790631985.db2.gz YXKBCISCDLDAJE-QMMMGPOBSA-N -1 1 342.280 2.196 20 0 EEADMM Cc1cnc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000940703319 779148421 /nfs/dbraw/zinc/14/84/21/779148421.db2.gz OTSISHBDPYTMOA-AWEZNQCLSA-N -1 1 344.415 2.114 20 0 EEADMM CN(C)c1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1O ZINC001038074157 779304798 /nfs/dbraw/zinc/30/47/98/779304798.db2.gz OFJAKEQALCJPGD-INIZCTEOSA-N -1 1 339.439 2.463 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000936826000 779539640 /nfs/dbraw/zinc/53/96/40/779539640.db2.gz SAXUSVNFXWSESI-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NCc1ccccc1C(=O)[O-] ZINC000902378657 790738135 /nfs/dbraw/zinc/73/81/35/790738135.db2.gz PROUTDLTLYKDRH-UHFFFAOYSA-N -1 1 326.396 2.176 20 0 EEADMM COCc1nc(N2CCN(c3cccc(F)c3)C[C@@H]2C)cc(=O)[n-]1 ZINC000893962367 780330605 /nfs/dbraw/zinc/33/06/05/780330605.db2.gz XJBXBQOSCZSMJQ-LBPRGKRZSA-N -1 1 332.379 2.183 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1nc2ccccc2s1 ZINC000809816630 783384636 /nfs/dbraw/zinc/38/46/36/783384636.db2.gz LSRFEBHZESRDKA-ZETCQYMHSA-N -1 1 338.414 2.214 20 0 EEADMM Cc1cc(C)n(CCCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n1 ZINC000905948575 783604820 /nfs/dbraw/zinc/60/48/20/783604820.db2.gz MZWQAQFPJNBQDA-UHFFFAOYSA-N -1 1 329.404 2.293 20 0 EEADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945386271 784013467 /nfs/dbraw/zinc/01/34/67/784013467.db2.gz RINWHASEDBRHAO-CHWSQXEVSA-N -1 1 349.406 2.036 20 0 EEADMM CCN(C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817149498 784540089 /nfs/dbraw/zinc/54/00/89/784540089.db2.gz CCTABIPWVIFLAM-NSHDSACASA-N -1 1 329.322 2.168 20 0 EEADMM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)[N-]OC2CCOCC2)s1 ZINC000907477054 784646015 /nfs/dbraw/zinc/64/60/15/784646015.db2.gz MBJXXVVDZNPHMA-UHFFFAOYSA-N -1 1 343.405 2.331 20 0 EEADMM Cc1ccc(SCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c(C)c1 ZINC000907477950 784647051 /nfs/dbraw/zinc/64/70/51/784647051.db2.gz UEMAPMPFYKNXIG-LBPRGKRZSA-N -1 1 349.485 2.225 20 0 EEADMM O=C([O-])C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000907585798 784739700 /nfs/dbraw/zinc/73/97/00/784739700.db2.gz SWDFIHCVGWUHDU-DLBZAZTESA-N -1 1 330.428 2.411 20 0 EEADMM Cc1n[nH]cc1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817417316 784767886 /nfs/dbraw/zinc/76/78/86/784767886.db2.gz JSPAQSNGQQCSGT-CYBMUJFWSA-N -1 1 338.333 2.328 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC000945831299 784935739 /nfs/dbraw/zinc/93/57/39/784935739.db2.gz QFOQVHRMITVWIB-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC000946108993 785567360 /nfs/dbraw/zinc/56/73/60/785567360.db2.gz IGQIZLRHYXNPBE-DGCLKSJQSA-N -1 1 345.424 2.177 20 0 EEADMM CC[C@@](C)(NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908745123 785683266 /nfs/dbraw/zinc/68/32/66/785683266.db2.gz YOACQNHYEUUXDF-CXAGYDPISA-N -1 1 337.420 2.359 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCS[C@H](c3ccccc3)C2)C1 ZINC000908806390 785739559 /nfs/dbraw/zinc/73/95/59/785739559.db2.gz PGQMDSMPFFISID-HOTGVXAUSA-N -1 1 348.468 2.100 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000909007921 785907168 /nfs/dbraw/zinc/90/71/68/785907168.db2.gz GGOCHNHFKKNNPI-LBPRGKRZSA-N -1 1 337.445 2.490 20 0 EEADMM O=C([O-])CCN(C(=O)c1ccc(O)c(Cl)c1)C1CCOCC1 ZINC000909024824 785957465 /nfs/dbraw/zinc/95/74/65/785957465.db2.gz LWCIDEVUXOLHOM-UHFFFAOYSA-N -1 1 327.764 2.142 20 0 EEADMM CC[C@](C)(NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123031 786005884 /nfs/dbraw/zinc/00/58/84/786005884.db2.gz SZYNAAFQDNPQJC-BBRMVZONSA-N -1 1 341.839 2.495 20 0 EEADMM Cc1cc(NC/C=C/CNC(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001107140046 786018933 /nfs/dbraw/zinc/01/89/33/786018933.db2.gz VXENUGPQXRBJCO-NSCUHMNNSA-N -1 1 339.399 2.161 20 0 EEADMM CC(C)C1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)CC1 ZINC000996149042 786088165 /nfs/dbraw/zinc/08/81/65/786088165.db2.gz XXHIRLSZYQIZDU-RDBSUJKOSA-N -1 1 343.427 2.085 20 0 EEADMM CCN(CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1)C1CC1 ZINC000909797227 786233687 /nfs/dbraw/zinc/23/36/87/786233687.db2.gz SXMNLUMYHHNAQS-HNNXBMFYSA-N -1 1 340.807 2.075 20 0 EEADMM CC(C)[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000820781456 786470829 /nfs/dbraw/zinc/47/08/29/786470829.db2.gz VVUVPWKGMPKYJY-CQSZACIVSA-N -1 1 330.475 2.480 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@]1(C)C(=O)[O-] ZINC000910259524 786555071 /nfs/dbraw/zinc/55/50/71/786555071.db2.gz AWTJJFZWIVCLGH-BFUOFWGJSA-N -1 1 339.395 2.430 20 0 EEADMM C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910243917 786569091 /nfs/dbraw/zinc/56/90/91/786569091.db2.gz GCDOSAOLMFFTLN-ZDUSSCGKSA-N -1 1 342.395 2.445 20 0 EEADMM COc1ccc(N(CC2CC2)C(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000910271080 786599192 /nfs/dbraw/zinc/59/91/92/786599192.db2.gz URTOLGKYRCKHNO-OAHLLOKOSA-N -1 1 346.427 2.235 20 0 EEADMM Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)c4ccccc4C3=O)n[nH]2)cc1 ZINC000822004087 786997977 /nfs/dbraw/zinc/99/79/77/786997977.db2.gz XOEZOWHSTOMTJA-UHFFFAOYSA-N -1 1 346.346 2.326 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2)c1-c1nnn[n-]1 ZINC000822530654 787238630 /nfs/dbraw/zinc/23/86/30/787238630.db2.gz LCFSKAUTHRFHAU-HJWRWDBZSA-N -1 1 326.385 2.308 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2)c1-c1nn[n-]n1 ZINC000822530654 787238634 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789938782 /nfs/dbraw/zinc/93/87/82/789938782.db2.gz YPNAPUKJAIMAAZ-YFHOEESVSA-N -1 1 331.416 2.158 20 0 EEADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])co1 ZINC000946187938 790030930 /nfs/dbraw/zinc/03/09/30/790030930.db2.gz YQXNFISDFUOGDD-JSGCOSHPSA-N -1 1 343.383 2.017 20 0 EEADMM CCCn1cc(NC(=O)NNC(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000186221983 791195737 /nfs/dbraw/zinc/19/57/37/791195737.db2.gz OCRAIDGJAZWIQZ-UHFFFAOYSA-N -1 1 337.767 2.119 20 0 EEADMM CCc1ccc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)o1 ZINC001063568896 791342192 /nfs/dbraw/zinc/34/21/92/791342192.db2.gz WWKMMWMZYJVOSD-UHFFFAOYSA-N -1 1 343.383 2.025 20 0 EEADMM O=C(N[C@@H]1CCCC[C@@H]1CNC(=O)C1CCCC1)c1ncccc1[O-] ZINC000946379131 791458608 /nfs/dbraw/zinc/45/86/08/791458608.db2.gz HAVQCVJNVMCEDT-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccnc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879900 791874597 /nfs/dbraw/zinc/87/45/97/791874597.db2.gz GFHKXANNPRNCOU-ZIAGYGMSSA-N -1 1 341.415 2.238 20 0 EEADMM CCOC(CCNC(=O)c1ccc(-n2[n-]c(C)cc2=O)cc1)OCC ZINC001148336065 792346613 /nfs/dbraw/zinc/34/66/13/792346613.db2.gz LHHWBKAGLOONJT-UHFFFAOYSA-N -1 1 347.415 2.318 20 0 EEADMM Cc1noc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C(N)=O ZINC001148790908 792682234 /nfs/dbraw/zinc/68/22/34/792682234.db2.gz XTYZTRFOPYUDSS-UHFFFAOYSA-N -1 1 329.234 2.059 20 0 EEADMM Cn1cnc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c2ncnc1-2 ZINC001148790560 792682348 /nfs/dbraw/zinc/68/23/48/792682348.db2.gz PQNBAYYYOHBANR-UHFFFAOYSA-N -1 1 337.261 2.292 20 0 EEADMM CCN=c1ccc(N)cn1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794894 792708647 /nfs/dbraw/zinc/70/86/47/792708647.db2.gz OUMHLJPDTPSDOG-UHFFFAOYSA-N -1 1 325.290 2.404 20 0 EEADMM C[C@H](NC(=O)c1cc([O-])c(Br)c(O)c1)c1ccno1 ZINC001148998264 792821319 /nfs/dbraw/zinc/82/13/19/792821319.db2.gz LGVCCZABFHSFCQ-LURJTMIESA-N -1 1 327.134 2.339 20 0 EEADMM O=C(NC1(CNC(=O)[C@]23C[C@H]2CCCC3)CCC1)c1ncccc1[O-] ZINC001064450879 793145938 /nfs/dbraw/zinc/14/59/38/793145938.db2.gz 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ZINC001079610571 794989401 /nfs/dbraw/zinc/98/94/01/794989401.db2.gz AYJRJVARDIKRPZ-IAQYHMDHSA-N -1 1 347.365 2.316 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccc(OC4COC4)c(F)c3)no2)n[n-]1 ZINC001212429646 795412469 /nfs/dbraw/zinc/41/24/69/795412469.db2.gz KRSDGZVLCZPKNU-UHFFFAOYSA-N -1 1 344.302 2.246 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccc(OC4COC4)c(F)c3)no2)[n-]n1 ZINC001212429646 795412475 /nfs/dbraw/zinc/41/24/75/795412475.db2.gz KRSDGZVLCZPKNU-UHFFFAOYSA-N -1 1 344.302 2.246 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ncccc3Br)no2)n[n-]1 ZINC001212431626 795486849 /nfs/dbraw/zinc/48/68/49/795486849.db2.gz TTWNJZRSGFNXIG-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ncccc3Br)no2)[n-]n1 ZINC001212431626 795486851 /nfs/dbraw/zinc/48/68/51/795486851.db2.gz TTWNJZRSGFNXIG-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)OCCO1 ZINC000715961848 795573167 /nfs/dbraw/zinc/57/31/67/795573167.db2.gz GKSYEZYYMBPAJT-UHFFFAOYSA-N -1 1 346.257 2.486 20 0 EEADMM CCN(C(=O)CC1CC(C)(C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080321581 795848962 /nfs/dbraw/zinc/84/89/62/795848962.db2.gz RZYUOHWZBSIVAF-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(CCNc1cc(C)nc(C2CC2)n1)C(=O)c1ncccc1[O-] ZINC001106726841 796295391 /nfs/dbraw/zinc/29/53/91/796295391.db2.gz AQWFGBWZMYWXAI-UHFFFAOYSA-N -1 1 341.415 2.337 20 0 EEADMM CC[C@@H](C)CC(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001060988256 796558669 /nfs/dbraw/zinc/55/86/69/796558669.db2.gz MHWJYNRTHQQXLR-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000915881618 796992131 /nfs/dbraw/zinc/99/21/31/796992131.db2.gz UMKDZKVBMYDQCM-UHFFFAOYSA-N -1 1 346.355 2.311 20 0 EEADMM Cc1cncc(COC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000785667910 806551654 /nfs/dbraw/zinc/55/16/54/806551654.db2.gz YHUJJRLIXAZUND-UHFFFAOYSA-N -1 1 326.399 2.180 20 0 EEADMM O=C(NCCCCCCNc1ncc(F)cn1)c1ncccc1[O-] ZINC001094945313 797079237 /nfs/dbraw/zinc/07/92/37/797079237.db2.gz YOLLRLIEKBYZSG-UHFFFAOYSA-N -1 1 333.367 2.119 20 0 EEADMM C[C@H](CC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001082022781 797081874 /nfs/dbraw/zinc/08/18/74/797081874.db2.gz OBTHOFWNEYZTPB-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1)C1CCC1 ZINC000993924931 797134479 /nfs/dbraw/zinc/13/44/79/797134479.db2.gz FXMPRPBGDLJZJL-UMVBOHGHSA-N -1 1 345.443 2.048 20 0 EEADMM CCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC001001968863 797402722 /nfs/dbraw/zinc/40/27/22/797402722.db2.gz OFHMLYJRPHAIEE-CYBMUJFWSA-N -1 1 341.411 2.001 20 0 EEADMM C/C(=C/C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C1CC1 ZINC001002188214 797698634 /nfs/dbraw/zinc/69/86/34/797698634.db2.gz FZOIVEQPVKSTCM-JGSHZNMOSA-N -1 1 341.411 2.005 20 0 EEADMM CSc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)cc(=O)[n-]1 ZINC001174178522 797709444 /nfs/dbraw/zinc/70/94/44/797709444.db2.gz FQWOEPGTHIAGTG-UHFFFAOYSA-N -1 1 346.412 2.120 20 0 EEADMM 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YOUYSURDIVUJQP-MRXNPFEDSA-N -1 1 347.411 2.185 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2C(C)(C)C2(C)C)cc1 ZINC000746082347 577922124 /nfs/dbraw/zinc/92/21/24/577922124.db2.gz MUGJDUKKVKHLGJ-UHFFFAOYSA-N -1 1 333.384 2.177 20 0 EEADMM Cc1ccc(C(N)=O)cc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747371558 577943102 /nfs/dbraw/zinc/94/31/02/577943102.db2.gz RWTGCXAAEHRDJJ-UHFFFAOYSA-N -1 1 328.372 2.274 20 0 EEADMM COc1c(C)cnc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)c1C ZINC000747370886 577943118 /nfs/dbraw/zinc/94/31/18/577943118.db2.gz NTCYWSFMJBZPJZ-UHFFFAOYSA-N -1 1 348.428 2.163 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1csc(C2CC2)n1 ZINC000747473252 577945156 /nfs/dbraw/zinc/94/51/56/577945156.db2.gz BLDDYBPYZZKPRR-GFCCVEGCSA-N -1 1 326.385 2.053 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=S)N[C@@H]2CCOc3ccccc32)n1 ZINC000747657406 577947650 /nfs/dbraw/zinc/94/76/50/577947650.db2.gz GUQVDIIDTDDEJF-GFCCVEGCSA-N -1 1 345.428 2.108 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(C(=O)c2cncc([O-])c2)C(C)(C)C1 ZINC000748418422 577961442 /nfs/dbraw/zinc/96/14/42/577961442.db2.gz HCXVFBXEGKLVGW-UHFFFAOYSA-N -1 1 335.404 2.259 20 0 EEADMM Cc1[nH+]c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c2ccccn12 ZINC000738842667 578028508 /nfs/dbraw/zinc/02/85/08/578028508.db2.gz MSOVRKLSVHBBDN-UHFFFAOYSA-N -1 1 345.384 2.154 20 0 EEADMM Cn1cc([C@@H](NCC(=O)Nc2ccc(C(=O)[O-])cc2)C(C)(C)C)cn1 ZINC000739026314 578035655 /nfs/dbraw/zinc/03/56/55/578035655.db2.gz JBXOIUVEHSTGOL-MRXNPFEDSA-N -1 1 344.415 2.434 20 0 EEADMM NC(=O)c1cccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739182378 578042901 /nfs/dbraw/zinc/04/29/01/578042901.db2.gz KQDBNJSOXGCXFC-UHFFFAOYSA-N -1 1 334.322 2.151 20 0 EEADMM O=C([O-])C1(NCC(=O)Nc2ccc(N3CCCC3)cc2)CCCC1 ZINC000739307263 578047767 /nfs/dbraw/zinc/04/77/67/578047767.db2.gz LBNCLYKTAUQQPP-UHFFFAOYSA-N -1 1 331.416 2.212 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1Cn1cnc2cc(F)c(F)cc21 ZINC000739659893 578063055 /nfs/dbraw/zinc/06/30/55/578063055.db2.gz WBDDGDMDCWCCPQ-VIFPVBQESA-N -1 1 327.356 2.164 20 0 EEADMM O=C([O-])c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)s1 ZINC000740111044 578081103 /nfs/dbraw/zinc/08/11/03/578081103.db2.gz QCDLWWVQLMPAPK-UHFFFAOYSA-N -1 1 345.424 2.236 20 0 EEADMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000735018522 578130946 /nfs/dbraw/zinc/13/09/46/578130946.db2.gz AKCKZEXDRXKFQW-DEOSSOPVSA-N -1 1 349.408 2.245 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735649765 578162418 /nfs/dbraw/zinc/16/24/18/578162418.db2.gz KWDOALDVABXPNM-CYBMUJFWSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)(C)c1ccc([C@H](O)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735649765 578162419 /nfs/dbraw/zinc/16/24/19/578162419.db2.gz KWDOALDVABXPNM-CYBMUJFWSA-N -1 1 339.403 2.100 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000736158489 578183733 /nfs/dbraw/zinc/18/37/33/578183733.db2.gz QRKXQAYVNYVJEE-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000736158489 578183734 /nfs/dbraw/zinc/18/37/34/578183734.db2.gz QRKXQAYVNYVJEE-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276027 578192917 /nfs/dbraw/zinc/19/29/17/578192917.db2.gz XXERTFICUIWTPS-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276027 578192918 /nfs/dbraw/zinc/19/29/18/578192918.db2.gz XXERTFICUIWTPS-SMDDNHRTSA-N -1 1 331.376 2.014 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736360764 578198378 /nfs/dbraw/zinc/19/83/78/578198378.db2.gz AZPLYFYIUDTWJZ-INIZCTEOSA-N -1 1 347.459 2.402 20 0 EEADMM CCCCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736457133 578204914 /nfs/dbraw/zinc/20/49/14/578204914.db2.gz QBDLOATURLMOBH-UHFFFAOYSA-N -1 1 328.298 2.066 20 0 EEADMM CCCCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736457133 578204915 /nfs/dbraw/zinc/20/49/15/578204915.db2.gz QBDLOATURLMOBH-UHFFFAOYSA-N -1 1 328.298 2.066 20 0 EEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000736467825 578206019 /nfs/dbraw/zinc/20/60/19/578206019.db2.gz HIRJJNMDONGZGH-KRWDZBQOSA-N -1 1 339.436 2.020 20 0 EEADMM CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736752039 578221974 /nfs/dbraw/zinc/22/19/74/578221974.db2.gz RVFYFSMGJWVMLX-UHFFFAOYSA-N -1 1 328.401 2.366 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCOC[C@@H]1CCCO1 ZINC000736824681 578225862 /nfs/dbraw/zinc/22/58/62/578225862.db2.gz PJETUZLFGJGWGZ-YJBOKZPZSA-N -1 1 348.443 2.091 20 0 EEADMM COCCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736981587 578232276 /nfs/dbraw/zinc/23/22/76/578232276.db2.gz NHWFJGPIZVKFDB-UHFFFAOYSA-N -1 1 345.359 2.142 20 0 EEADMM COCCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736981587 578232277 /nfs/dbraw/zinc/23/22/77/578232277.db2.gz NHWFJGPIZVKFDB-UHFFFAOYSA-N -1 1 345.359 2.142 20 0 EEADMM CSc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737189416 578242895 /nfs/dbraw/zinc/24/28/95/578242895.db2.gz GMJLONOVNQQLSN-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737189416 578242896 /nfs/dbraw/zinc/24/28/96/578242896.db2.gz GMJLONOVNQQLSN-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737198054 578243226 /nfs/dbraw/zinc/24/32/26/578243226.db2.gz FLKQXKXJCUQHHU-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737198054 578243227 /nfs/dbraw/zinc/24/32/27/578243227.db2.gz FLKQXKXJCUQHHU-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1cccc2sc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)nc21 ZINC000737418356 578256366 /nfs/dbraw/zinc/25/63/66/578256366.db2.gz PLNFMSQXGAXXMO-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1cccc2sc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)nc21 ZINC000737418356 578256367 /nfs/dbraw/zinc/25/63/67/578256367.db2.gz PLNFMSQXGAXXMO-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737777299 578269489 /nfs/dbraw/zinc/26/94/89/578269489.db2.gz TZIWSYCMDCHNMK-KGLIPLIRSA-N -1 1 345.366 2.243 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1cccc(N2CCOCC2)c1 ZINC000823756696 607310416 /nfs/dbraw/zinc/31/04/16/607310416.db2.gz FGBKFCCTOAYHRK-UHFFFAOYSA-N -1 1 342.428 2.377 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN3CCC[C@H](CC(=O)[O-])C3)C2)c1 ZINC000821112198 597759371 /nfs/dbraw/zinc/75/93/71/597759371.db2.gz JBRPWHMPFSKABT-WBVHZDCISA-N -1 1 330.428 2.455 20 0 EEADMM c1cc(N[C@@H]2CCOC3(CCSCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823757679 607331323 /nfs/dbraw/zinc/33/13/23/607331323.db2.gz SYGGHRLVOZIWSY-LLVKDONJSA-N -1 1 332.433 2.118 20 0 EEADMM c1cc(N[C@@H]2CCOC3(CCSCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823757679 607331324 /nfs/dbraw/zinc/33/13/24/607331324.db2.gz SYGGHRLVOZIWSY-LLVKDONJSA-N -1 1 332.433 2.118 20 0 EEADMM CO[C@]1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C1(C)C ZINC000821678053 599688372 /nfs/dbraw/zinc/68/83/72/599688372.db2.gz IYSMOZWOALFKFI-CRAIPNDOSA-N -1 1 338.415 2.452 20 0 EEADMM CO[C@]1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C1(C)C ZINC000821678053 599688373 /nfs/dbraw/zinc/68/83/73/599688373.db2.gz IYSMOZWOALFKFI-CRAIPNDOSA-N -1 1 338.415 2.452 20 0 EEADMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000391091232 599852709 /nfs/dbraw/zinc/85/27/09/599852709.db2.gz PHOHWCJPZAPGMC-UHFFFAOYSA-N -1 1 330.365 2.376 20 0 EEADMM C[C@H](CN(C)CC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000042705392 600361800 /nfs/dbraw/zinc/36/18/00/600361800.db2.gz CTBHQBDYPWKEGO-SECBINFHSA-N -1 1 329.194 2.040 20 0 EEADMM CC[C@](C)(NCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000094228615 600560221 /nfs/dbraw/zinc/56/02/21/600560221.db2.gz AIKWCVOCGXJCPL-ZDUSSCGKSA-N -1 1 329.194 2.231 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000833020083 600963102 /nfs/dbraw/zinc/96/31/02/600963102.db2.gz SYWOXTHNPLUOSU-UHFFFAOYSA-N -1 1 332.288 2.042 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OC3CCC3)cc2)CC1 ZINC000827378828 601084705 /nfs/dbraw/zinc/08/47/05/601084705.db2.gz AMYCWVVJMXFDQP-CQSZACIVSA-N -1 1 346.427 2.239 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827586357 601098508 /nfs/dbraw/zinc/09/85/08/601098508.db2.gz KYWNKEBIYPXFNC-KBPBESRZSA-N -1 1 336.407 2.012 20 0 EEADMM CSc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832790174 601126531 /nfs/dbraw/zinc/12/65/31/601126531.db2.gz ILGCFHULDSNMDU-LBPRGKRZSA-N -1 1 337.445 2.421 20 0 EEADMM O=C([O-])[C@@]1(NC(=O)c2ccco2)CCCN(Cc2ccccc2)C1 ZINC000833129279 601733774 /nfs/dbraw/zinc/73/37/74/601733774.db2.gz ZGELZXKBFWKNOC-GOSISDBHSA-N -1 1 328.368 2.129 20 0 EEADMM C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827967057 601937446 /nfs/dbraw/zinc/93/74/46/601937446.db2.gz YTLQBTLKPHGFLL-GTNSWQLSSA-N -1 1 342.403 2.055 20 0 EEADMM O=S(=O)(Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC000826486455 607536678 /nfs/dbraw/zinc/53/66/78/607536678.db2.gz CUBGFVSQZUPVNS-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM O=S(=O)(Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC000826486455 607536679 /nfs/dbraw/zinc/53/66/79/607536679.db2.gz CUBGFVSQZUPVNS-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM Cc1cccc([C@H](C)S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826296004 607537762 /nfs/dbraw/zinc/53/77/62/607537762.db2.gz GLKLTCUHCNSIGP-LBPRGKRZSA-N -1 1 343.412 2.246 20 0 EEADMM Cc1cccc([C@H](C)S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826296004 607537763 /nfs/dbraw/zinc/53/77/63/607537763.db2.gz GLKLTCUHCNSIGP-LBPRGKRZSA-N -1 1 343.412 2.246 20 0 EEADMM CC(C)OC[C@H](C(=O)[O-])N(C)CCc1nc(-c2ccccc2)no1 ZINC000827016366 604404574 /nfs/dbraw/zinc/40/45/74/604404574.db2.gz NTPQSJJDNURIIV-CQSZACIVSA-N -1 1 333.388 2.089 20 0 EEADMM C[C@@H](Oc1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1)C(=O)[O-] ZINC000833537683 604591672 /nfs/dbraw/zinc/59/16/72/604591672.db2.gz NQASTQLHHNARIG-CYBMUJFWSA-N -1 1 342.395 2.269 20 0 EEADMM O=C([O-])c1cccc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000833765671 604699612 /nfs/dbraw/zinc/69/96/12/604699612.db2.gz WDLRQGFQULBGOS-UHFFFAOYSA-N -1 1 338.319 2.230 20 0 EEADMM COc1ccc(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000832393935 604740322 /nfs/dbraw/zinc/74/03/22/604740322.db2.gz KWSMGPHRUZTLNV-SNVBAGLBSA-N -1 1 340.807 2.472 20 0 EEADMM C[C@@H](C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C1CC1)C(=O)[O-] ZINC000827450084 604745116 /nfs/dbraw/zinc/74/51/16/604745116.db2.gz RKEUOGDWEJTINY-UGSOOPFHSA-N -1 1 330.428 2.439 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(Cc3cccc(C)c3)CC2)O1 ZINC000833580924 604821646 /nfs/dbraw/zinc/82/16/46/604821646.db2.gz UCOSCLYRROSNNJ-QGZVFWFLSA-N -1 1 330.428 2.260 20 0 EEADMM C[C@H](c1cccnc1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833548638 604912790 /nfs/dbraw/zinc/91/27/90/604912790.db2.gz GEWYEDKAIUYABG-CJNGLKHVSA-N -1 1 330.384 2.213 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(Cl)cc1F ZINC000833742125 605106488 /nfs/dbraw/zinc/10/64/88/605106488.db2.gz FTSXENOGFOVGSW-NSHDSACASA-N -1 1 342.798 2.409 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000833624651 605111908 /nfs/dbraw/zinc/11/19/08/605111908.db2.gz VRLLCTWTDRTHJS-WMLDXEAASA-N -1 1 330.428 2.114 20 0 EEADMM Cc1[nH]c(C(=O)NCc2nc3cccc(C)c3[nH]2)c(C)c1C(=O)[O-] ZINC000833739775 605134715 /nfs/dbraw/zinc/13/47/15/605134715.db2.gz IJUUTKATMGKHJG-UHFFFAOYSA-N -1 1 326.356 2.444 20 0 EEADMM CC(C)(NCC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000833461488 605142118 /nfs/dbraw/zinc/14/21/18/605142118.db2.gz YVKDSTSJMVAFDH-UHFFFAOYSA-N -1 1 338.835 2.488 20 0 EEADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824392500 607764652 /nfs/dbraw/zinc/76/46/52/607764652.db2.gz OSOUWHRSDDPEBT-DTWKUNHWSA-N -1 1 349.441 2.232 20 0 EEADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824392500 607764653 /nfs/dbraw/zinc/76/46/53/607764653.db2.gz OSOUWHRSDDPEBT-DTWKUNHWSA-N -1 1 349.441 2.232 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823289139 606196085 /nfs/dbraw/zinc/19/60/85/606196085.db2.gz CLRYCHBBTBAYLY-OLZOCXBDSA-N -1 1 339.330 2.454 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccc(C)c(C)c2)c1-c1nnn[n-]1 ZINC000822233286 606238461 /nfs/dbraw/zinc/23/84/61/606238461.db2.gz LREHIVPTRLFWCG-UHFFFAOYSA-N -1 1 342.428 2.454 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000822233286 606238462 /nfs/dbraw/zinc/23/84/62/606238462.db2.gz LREHIVPTRLFWCG-UHFFFAOYSA-N -1 1 342.428 2.454 20 0 EEADMM C[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623788 606242982 /nfs/dbraw/zinc/24/29/82/606242982.db2.gz YPGSRXKVVRVNOD-KRTXAFLBSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623788 606242983 /nfs/dbraw/zinc/24/29/83/606242983.db2.gz YPGSRXKVVRVNOD-KRTXAFLBSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820549349 606532208 /nfs/dbraw/zinc/53/22/08/606532208.db2.gz MJZKZOFPFDVFIJ-SSDOTTSWSA-N -1 1 349.807 2.363 20 0 EEADMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820549349 606532211 /nfs/dbraw/zinc/53/22/11/606532211.db2.gz MJZKZOFPFDVFIJ-SSDOTTSWSA-N -1 1 349.807 2.363 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144361 606537116 /nfs/dbraw/zinc/53/71/16/606537116.db2.gz FOVWQTYOOWHOIK-GHMZBOCLSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144361 606537118 /nfs/dbraw/zinc/53/71/18/606537118.db2.gz FOVWQTYOOWHOIK-GHMZBOCLSA-N -1 1 329.360 2.353 20 0 EEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821782386 606556755 /nfs/dbraw/zinc/55/67/55/606556755.db2.gz DSVZHYJOOWBOCJ-UHFFFAOYSA-N -1 1 341.396 2.356 20 0 EEADMM COc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821782386 606556756 /nfs/dbraw/zinc/55/67/56/606556756.db2.gz DSVZHYJOOWBOCJ-UHFFFAOYSA-N -1 1 341.396 2.356 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823219752 606581376 /nfs/dbraw/zinc/58/13/76/606581376.db2.gz PDDOTLAJIGFVCW-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823219752 606581377 /nfs/dbraw/zinc/58/13/77/606581377.db2.gz PDDOTLAJIGFVCW-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000819891765 606652442 /nfs/dbraw/zinc/65/24/42/606652442.db2.gz GLCYNFLCHVLCBU-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000819891765 606652443 /nfs/dbraw/zinc/65/24/43/606652443.db2.gz GLCYNFLCHVLCBU-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCO[C@H]1CCOC1 ZINC000823798308 606801668 /nfs/dbraw/zinc/80/16/68/606801668.db2.gz WHHGNJRYKILOQE-LBPRGKRZSA-N -1 1 340.387 2.022 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCO[C@H]1CCOC1 ZINC000823798308 606801670 /nfs/dbraw/zinc/80/16/70/606801670.db2.gz WHHGNJRYKILOQE-LBPRGKRZSA-N -1 1 340.387 2.022 20 0 EEADMM Fc1ccc(OCc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000822782771 606991278 /nfs/dbraw/zinc/99/12/78/606991278.db2.gz GIJXWYYCPPCUAG-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1ccc(OCc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000822782771 606991279 /nfs/dbraw/zinc/99/12/79/606991279.db2.gz GIJXWYYCPPCUAG-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Cc1cccc(OCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1C ZINC000822328272 607023970 /nfs/dbraw/zinc/02/39/70/607023970.db2.gz NXQHBQWFUWAOTJ-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM Cc1cccc(OCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1C ZINC000822328272 607023972 /nfs/dbraw/zinc/02/39/72/607023972.db2.gz NXQHBQWFUWAOTJ-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM O[C@]12CCCC[C@H]1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823696991 607032603 /nfs/dbraw/zinc/03/26/03/607032603.db2.gz HXNURDWPQULLHB-BONVTDFDSA-N -1 1 334.811 2.047 20 0 EEADMM O[C@]12CCCC[C@H]1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823696991 607032605 /nfs/dbraw/zinc/03/26/05/607032605.db2.gz HXNURDWPQULLHB-BONVTDFDSA-N -1 1 334.811 2.047 20 0 EEADMM CC(C)CCC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820073415 607136967 /nfs/dbraw/zinc/13/69/67/607136967.db2.gz UMKKEKPQEMFPRX-UHFFFAOYSA-N -1 1 346.439 2.280 20 0 EEADMM CC(C)CCC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820073415 607136969 /nfs/dbraw/zinc/13/69/69/607136969.db2.gz UMKKEKPQEMFPRX-UHFFFAOYSA-N -1 1 346.439 2.280 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000823436489 607159302 /nfs/dbraw/zinc/15/93/02/607159302.db2.gz XYSRZZGRKXIXPU-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000823436489 607159303 /nfs/dbraw/zinc/15/93/03/607159303.db2.gz XYSRZZGRKXIXPU-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cnc(Cl)s2)c2ccccc12 ZINC000823657995 607166990 /nfs/dbraw/zinc/16/69/90/607166990.db2.gz XVXXPLLVTUIBMO-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM Cc1cc(C)n(C[C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC000826265409 608049531 /nfs/dbraw/zinc/04/95/31/608049531.db2.gz XXIYMRSIVNLCKL-AWEZNQCLSA-N -1 1 338.419 2.134 20 0 EEADMM Cc1cc(C)n(C[C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC000826265409 608049532 /nfs/dbraw/zinc/04/95/32/608049532.db2.gz XXIYMRSIVNLCKL-AWEZNQCLSA-N -1 1 338.419 2.134 20 0 EEADMM Fc1ccc(C2(CNc3nccnc3-c3nnn[n-]3)CC2)c(F)c1 ZINC000826374040 608053503 /nfs/dbraw/zinc/05/35/03/608053503.db2.gz IZJBEOSSGUAWNN-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Fc1ccc(C2(CNc3nccnc3-c3nn[n-]n3)CC2)c(F)c1 ZINC000826374040 608053504 /nfs/dbraw/zinc/05/35/04/608053504.db2.gz IZJBEOSSGUAWNN-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(OC(F)F)c1 ZINC000824656823 608397837 /nfs/dbraw/zinc/39/78/37/608397837.db2.gz NGPUMPNIRGLGFJ-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(OC(F)F)c1 ZINC000824656823 608397838 /nfs/dbraw/zinc/39/78/38/608397838.db2.gz NGPUMPNIRGLGFJ-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582409 608424953 /nfs/dbraw/zinc/42/49/53/608424953.db2.gz KSVVQSSJKGWMAR-OLZOCXBDSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582409 608424956 /nfs/dbraw/zinc/42/49/56/608424956.db2.gz KSVVQSSJKGWMAR-OLZOCXBDSA-N -1 1 329.408 2.197 20 0 EEADMM CCCCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000825291608 608427554 /nfs/dbraw/zinc/42/75/54/608427554.db2.gz UYVMOIGNVSMQOF-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000825291608 608427555 /nfs/dbraw/zinc/42/75/55/608427555.db2.gz UYVMOIGNVSMQOF-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM Cc1ccc(-c2nc(CNc3ccc(-c4nnn[n-]4)nn3)co2)cc1 ZINC000826273498 608428303 /nfs/dbraw/zinc/42/83/03/608428303.db2.gz HFULQVXDQWTQBV-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1ccc(-c2nc(CNc3ccc(-c4nn[n-]n4)nn3)co2)cc1 ZINC000826273498 608428305 /nfs/dbraw/zinc/42/83/05/608428305.db2.gz HFULQVXDQWTQBV-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Fc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1 ZINC000826373906 608547215 /nfs/dbraw/zinc/54/72/15/608547215.db2.gz DLYCFXCKEMXRQT-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cc1 ZINC000826373906 608547216 /nfs/dbraw/zinc/54/72/16/608547216.db2.gz DLYCFXCKEMXRQT-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1cccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826376647 608676118 /nfs/dbraw/zinc/67/61/18/608676118.db2.gz MGSYEYHQDOTLJS-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1cccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826376647 608676119 /nfs/dbraw/zinc/67/61/19/608676119.db2.gz MGSYEYHQDOTLJS-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM CCC/C=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825261140 609312849 /nfs/dbraw/zinc/31/28/49/609312849.db2.gz VCMMCLBDAUPCFT-XBXARRHUSA-N -1 1 341.350 2.486 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825059939 609642108 /nfs/dbraw/zinc/64/21/08/609642108.db2.gz MIFJSQWECUFTJX-BDAKNGLRSA-N -1 1 349.391 2.240 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccc(Cl)nc2)C1 ZINC000969546682 675095654 /nfs/dbraw/zinc/09/56/54/675095654.db2.gz PFUGFRGOAPCSCZ-NSHDSACASA-N -1 1 346.818 2.086 20 0 EEADMM COC(OC)c1ccc(C(=O)[N-]c2nc([C@H](C)OC)ns2)o1 ZINC000807483453 675647727 /nfs/dbraw/zinc/64/77/27/675647727.db2.gz LWHPEPFZMYXDQM-ZETCQYMHSA-N -1 1 327.362 2.382 20 0 EEADMM Nc1nc([O-])c(CC(=O)NC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000079730326 676668270 /nfs/dbraw/zinc/66/82/70/676668270.db2.gz RTWFPSLPCLHLHV-NSHDSACASA-N -1 1 337.832 2.182 20 0 EEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)[C@@H]2CCCO[C@H]21 ZINC000866872964 677966595 /nfs/dbraw/zinc/96/65/95/677966595.db2.gz IAXWDTJXVWXQIV-XXILOJSOSA-N -1 1 348.827 2.356 20 0 EEADMM O=S(=O)([N-][C@@H]1C[C@@H]1C1CCCCC1)c1nc[nH]c1Br ZINC000866873790 678405578 /nfs/dbraw/zinc/40/55/78/678405578.db2.gz XMGQQVXVLAOZJH-NXEZZACHSA-N -1 1 348.266 2.419 20 0 EEADMM Cn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccco1 ZINC000161485472 678777502 /nfs/dbraw/zinc/77/75/02/678777502.db2.gz DXODFKYJBRAKDE-UHFFFAOYSA-N -1 1 334.323 2.236 20 0 EEADMM CCc1cnc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001024407089 679891639 /nfs/dbraw/zinc/89/16/39/679891639.db2.gz KAMGGMVXEXJUCH-CYBMUJFWSA-N -1 1 344.415 2.122 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983050641 681722435 /nfs/dbraw/zinc/72/24/35/681722435.db2.gz YSUZCGFSSRGJBQ-BFHYXJOUSA-N -1 1 345.443 2.048 20 0 EEADMM CCC[C@H](CC)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000310894794 681987349 /nfs/dbraw/zinc/98/73/49/681987349.db2.gz LQXRMMDLZSIZHH-VIFPVBQESA-N -1 1 338.271 2.348 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675065 682004104 /nfs/dbraw/zinc/00/41/04/682004104.db2.gz ZYFZOQYNMRKUDG-RBSFLKMASA-N -1 1 345.443 2.048 20 0 EEADMM CCc1ccccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199963 682297436 /nfs/dbraw/zinc/29/74/36/682297436.db2.gz UUDJOHWDIWXOFR-HDJSIYSDSA-N -1 1 339.395 2.040 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cc(F)cc(F)c2)co1 ZINC000166982910 682571131 /nfs/dbraw/zinc/57/11/31/682571131.db2.gz CDMXDGJAKSOPIU-MRVPVSSYSA-N -1 1 345.323 2.384 20 0 EEADMM Cc1occc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983459957 682696523 /nfs/dbraw/zinc/69/65/23/682696523.db2.gz FEMDLKDCXAGLJA-CHWSQXEVSA-N -1 1 343.383 2.160 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000983466692 682705104 /nfs/dbraw/zinc/70/51/04/682705104.db2.gz BQYIWDLFOVZFBA-STQMWFEESA-N -1 1 345.424 2.320 20 0 EEADMM Cc1ccoc1C(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983466534 682710024 /nfs/dbraw/zinc/71/00/24/682710024.db2.gz BRABPZFGRSXWEH-STQMWFEESA-N -1 1 343.383 2.160 20 0 EEADMM COc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc2c1O[C@@H](C)C2 ZINC000026253370 685599608 /nfs/dbraw/zinc/59/96/08/685599608.db2.gz BFBSTNKMYMQOAV-LURJTMIESA-N -1 1 342.277 2.408 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc3ccoc32)CC1 ZINC000899538385 693782433 /nfs/dbraw/zinc/78/24/33/693782433.db2.gz NZTWXDHZIOCSNR-LLVKDONJSA-N -1 1 334.347 2.193 20 0 EEADMM [O-]c1cc(Br)cnc1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000893126626 683819103 /nfs/dbraw/zinc/81/91/03/683819103.db2.gz AUJRZCNMLGSPJX-LSDHHAIUSA-N -1 1 335.201 2.298 20 0 EEADMM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2sc(N)nc2[O-])cc1 ZINC000153274331 683922743 /nfs/dbraw/zinc/92/27/43/683922743.db2.gz MIJVXSWAZNXRMG-BXUZGUMPSA-N -1 1 333.457 2.204 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000194247263 684924920 /nfs/dbraw/zinc/92/49/20/684924920.db2.gz YMXJYQYVTRLAKJ-UHFFFAOYSA-N -1 1 348.380 2.079 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984685964 685016182 /nfs/dbraw/zinc/01/61/82/685016182.db2.gz WWZKSRWOPSUZRM-ZIAGYGMSSA-N -1 1 333.432 2.142 20 0 EEADMM COCCOC[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896719761 685192737 /nfs/dbraw/zinc/19/27/37/685192737.db2.gz PBEMWJNLSLFMFU-CYBMUJFWSA-N -1 1 345.395 2.376 20 0 EEADMM CCCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515154 686278319 /nfs/dbraw/zinc/27/83/19/686278319.db2.gz 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1196185461 /nfs/dbraw/zinc/18/54/61/1196185461.db2.gz UOFGRKFWOKRIFO-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)CC1CCC1 ZINC001018099485 1224333679 /nfs/dbraw/zinc/33/36/79/1224333679.db2.gz LWAMWPCSJAJXNG-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1=CCCCC1 ZINC001011572133 1224384572 /nfs/dbraw/zinc/38/45/72/1224384572.db2.gz YIJGASWYCGJPOU-ZFWWWQNUSA-N -1 1 343.427 2.397 20 0 EEADMM CC(C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001018146280 1224390685 /nfs/dbraw/zinc/39/06/85/1224390685.db2.gz NBBXQFBQNWWBMR-WFASDCNBSA-N -1 1 343.427 2.397 20 0 EEADMM COc1ccc(CCC(=O)[N-]OCC(=O)NCC2CCCCC2)cc1 ZINC000871799288 1197909738 /nfs/dbraw/zinc/90/97/38/1197909738.db2.gz KBFFUSKFPDURSO-UHFFFAOYSA-N -1 1 348.443 2.372 20 0 EEADMM COc1ccc(CCC(=O)[N-]OCC(=O)NC2CCC(C)CC2)cc1 ZINC000871799960 1197910780 /nfs/dbraw/zinc/91/07/80/1197910780.db2.gz VFYRDHGFUXMTQJ-UHFFFAOYSA-N -1 1 348.443 2.371 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)C(=O)c1ccccc1 ZINC000872516356 1198223048 /nfs/dbraw/zinc/22/30/48/1198223048.db2.gz TWNWEQBXCFVNRV-LLVKDONJSA-N -1 1 341.820 2.013 20 0 EEADMM Cc1ccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)c(C)c1 ZINC001410687883 1198301034 /nfs/dbraw/zinc/30/10/34/1198301034.db2.gz ANBSRHVCFNCLQP-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001011676905 1224506722 /nfs/dbraw/zinc/50/67/22/1224506722.db2.gz NFQCHLCCMKFQNX-JSGCOSHPSA-N -1 1 345.443 2.333 20 0 EEADMM COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000874769224 1198995619 /nfs/dbraw/zinc/99/56/19/1198995619.db2.gz JILKALAOCVCSOQ-BMLIUANNSA-N -1 1 349.358 2.400 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1=CCCCCC1 ZINC001011687524 1224520237 /nfs/dbraw/zinc/52/02/37/1224520237.db2.gz ZICMMNSXDFYVBZ-DZGCQCFKSA-N -1 1 343.427 2.397 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(Br)nc2)[n-]1 ZINC000125202483 1199073446 /nfs/dbraw/zinc/07/34/46/1199073446.db2.gz FFIPNCLKJXQQHS-UHFFFAOYSA-N -1 1 346.206 2.458 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(Br)nc2)c[n-]1 ZINC000125202483 1199073452 /nfs/dbraw/zinc/07/34/52/1199073452.db2.gz FFIPNCLKJXQQHS-UHFFFAOYSA-N -1 1 346.206 2.458 20 0 EEADMM O=C(c1ccc(I)cc1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000869283578 1199987257 /nfs/dbraw/zinc/98/72/57/1199987257.db2.gz QWUVWEXAVGMSIY-IUCAKERBSA-N -1 1 343.164 2.479 20 0 EEADMM COc1ccc(Cl)cc1CN1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000877778786 1200096014 /nfs/dbraw/zinc/09/60/14/1200096014.db2.gz UDMLZXLCHWAEGZ-UHFFFAOYSA-N -1 1 336.741 2.459 20 0 EEADMM Cc1cocc1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001018324192 1224609202 /nfs/dbraw/zinc/60/92/02/1224609202.db2.gz SWIHBPZTJOUKAW-OLZOCXBDSA-N -1 1 343.383 2.112 20 0 EEADMM COc1cccc(CN2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000870157991 1200523484 /nfs/dbraw/zinc/52/34/84/1200523484.db2.gz WQDFIUKPAAUSNP-UHFFFAOYSA-N -1 1 344.386 2.498 20 0 EEADMM Cc1n[nH]cc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870160618 1200526168 /nfs/dbraw/zinc/52/61/68/1200526168.db2.gz REVVJHQDKLDXTK-UHFFFAOYSA-N -1 1 334.807 2.035 20 0 EEADMM C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161806 1200527164 /nfs/dbraw/zinc/52/71/64/1200527164.db2.gz YDYUPTUPYBHHPV-GXTWGEPZSA-N -1 1 338.835 2.115 20 0 EEADMM N[C@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Br)c1 ZINC000870908630 1200946214 /nfs/dbraw/zinc/94/62/14/1200946214.db2.gz SFFFPUJVIVYBTJ-QMMMGPOBSA-N -1 1 327.100 2.059 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCOc2cccc(F)c2)C1 ZINC000879763387 1201245649 /nfs/dbraw/zinc/24/56/49/1201245649.db2.gz NIOHDKJFKIVBDO-CQSZACIVSA-N -1 1 334.313 2.347 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000879763502 1201246251 /nfs/dbraw/zinc/24/62/51/1201246251.db2.gz OCBBYOBHDYVPDA-TZMCWYRMSA-N -1 1 334.313 2.002 20 0 EEADMM COc1cccc(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1C ZINC000880172472 1201409941 /nfs/dbraw/zinc/40/99/41/1201409941.db2.gz GGPRFYOLNFTXHK-UHFFFAOYSA-N -1 1 345.321 2.146 20 0 EEADMM Cc1nc2c(c(N3CC[C@@](C)([N-]C(=O)C(F)(F)F)C3)n1)CCCC2 ZINC000866284209 1201483513 /nfs/dbraw/zinc/48/35/13/1201483513.db2.gz MLEMKAFZZWKKJI-OAHLLOKOSA-N -1 1 342.365 2.311 20 0 EEADMM CSc1nc(CNC(=O)[C@@H]2CCCc3c(O)cccc32)cc(=O)[n-]1 ZINC000880651120 1201550653 /nfs/dbraw/zinc/55/06/53/1201550653.db2.gz GVPKSOKEBFETKQ-CYBMUJFWSA-N -1 1 345.424 2.346 20 0 EEADMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)CC2 ZINC000866747476 1201596158 /nfs/dbraw/zinc/59/61/58/1201596158.db2.gz VQUXSJCORMVWFF-CQSZACIVSA-N -1 1 328.459 2.079 20 0 EEADMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000866794107 1201607497 /nfs/dbraw/zinc/60/74/97/1201607497.db2.gz HJOXUCBADSISNP-UHFFFAOYSA-N -1 1 337.800 2.240 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2C=CCC2)o1 ZINC000881493819 1201708856 /nfs/dbraw/zinc/70/88/56/1201708856.db2.gz ZCJWGQCNBMMSFF-LLVKDONJSA-N -1 1 326.418 2.052 20 0 EEADMM COCC1([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000881994743 1201800053 /nfs/dbraw/zinc/80/00/53/1201800053.db2.gz GHFSJXHLSDCOCT-UHFFFAOYSA-N -1 1 344.742 2.211 20 0 EEADMM CCCCCC[C@@H](C)C(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000129402316 1201809106 /nfs/dbraw/zinc/80/91/06/1201809106.db2.gz DSJORDFLMCAJTM-GFCCVEGCSA-N -1 1 334.420 2.418 20 0 EEADMM COc1ccc2oc(C)c(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)c2c1 ZINC000129477006 1201821472 /nfs/dbraw/zinc/82/14/72/1201821472.db2.gz DVQWSDCHEKBHIL-LLVKDONJSA-N -1 1 341.371 2.283 20 0 EEADMM Cc1coc(-c2cc(NC(=O)Cc3sc(N)nc3[O-])ccc2C)n1 ZINC000130102396 1201942413 /nfs/dbraw/zinc/94/24/13/1201942413.db2.gz PYMCAXKERFDSSM-GFCCVEGCSA-N -1 1 344.396 2.244 20 0 EEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)CC1CCCCCC1 ZINC000130266524 1201955920 /nfs/dbraw/zinc/95/59/20/1201955920.db2.gz CFFZKVZTSHIQSU-UHFFFAOYSA-N -1 1 332.404 2.172 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3c4ccccc4NC3(C)C)ccnc1-2 ZINC000883560667 1202088867 /nfs/dbraw/zinc/08/88/67/1202088867.db2.gz KROJOGUAEUBZDE-HNNXBMFYSA-N -1 1 336.399 2.409 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc3n[nH]nc32)c1 ZINC000800208418 1202221179 /nfs/dbraw/zinc/22/11/79/1202221179.db2.gz HDMOXJPAIHFMSY-UHFFFAOYSA-N -1 1 325.324 2.266 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000887397956 1204296951 /nfs/dbraw/zinc/29/69/51/1204296951.db2.gz JYXXMVZJKJIBQQ-KYOSRNDESA-N -1 1 330.384 2.014 20 0 EEADMM Cc1ncsc1CN1CC2(C1)CN(C(=O)c1cc([O-])cc(F)c1)C2 ZINC001275006125 1205230633 /nfs/dbraw/zinc/23/06/33/1205230633.db2.gz YRHBQADVJYRSEI-UHFFFAOYSA-N -1 1 347.415 2.254 20 0 EEADMM COC(=O)c1cc(CNC(=O)c2ccc(F)c([O-])c2)ccc1OC ZINC001411620535 1205458845 /nfs/dbraw/zinc/45/88/45/1205458845.db2.gz ZZVZBEOAIDISDW-UHFFFAOYSA-N -1 1 333.315 2.257 20 0 EEADMM O=C(c1cccc([O-])c1F)N1CC2(C[C@H]2C(=O)N2CCCC23CC3)C1 ZINC001275983847 1205618421 /nfs/dbraw/zinc/61/84/21/1205618421.db2.gz BYGDQAWQUQCWLL-ZDUSSCGKSA-N -1 1 344.386 2.148 20 0 EEADMM Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001412052031 1205635239 /nfs/dbraw/zinc/63/52/39/1205635239.db2.gz RQVMSCNMMRFZJT-NSHDSACASA-N -1 1 331.376 2.017 20 0 EEADMM Cc1ccnc(NC(=O)CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001412338084 1205699881 /nfs/dbraw/zinc/69/98/81/1205699881.db2.gz VJTUCUJKMYLQCX-UHFFFAOYSA-N -1 1 347.802 2.389 20 0 EEADMM O=S(=O)([N-][C@@H]1CCOC[C@H]1F)c1cccc(Cl)c1Cl ZINC001257289184 1206137454 /nfs/dbraw/zinc/13/74/54/1206137454.db2.gz UXKZBOLKQGNVSB-RKDXNWHRSA-N -1 1 328.192 2.399 20 0 EEADMM C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932042897 1207520890 /nfs/dbraw/zinc/52/08/90/1207520890.db2.gz ITDLBYAKXOYDAI-GFCCVEGCSA-N -1 1 332.404 2.497 20 0 EEADMM CCOCCOCCN(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932050491 1207523204 /nfs/dbraw/zinc/52/32/04/1207523204.db2.gz VZGUXCZYRBOSRP-UHFFFAOYSA-N -1 1 348.403 2.095 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N1CC([C@H]2CCOC2)C1 ZINC000932052087 1207524648 /nfs/dbraw/zinc/52/46/48/1207524648.db2.gz QPHSZUUKHZZWST-LBPRGKRZSA-N -1 1 328.372 2.078 20 0 EEADMM O=C(NC1CCN(Cc2cccnc2)CC1)c1cc(F)cc(F)c1[O-] ZINC000932869442 1207691398 /nfs/dbraw/zinc/69/13/98/1207691398.db2.gz CEEVBAHABILPJI-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000778725143 1208332454 /nfs/dbraw/zinc/33/24/54/1208332454.db2.gz HIYRQDYWXHOVFU-UHFFFAOYSA-N -1 1 344.452 2.284 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000947186024 1208503957 /nfs/dbraw/zinc/50/39/57/1208503957.db2.gz SQPCWSMKGGKKIH-CQSZACIVSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)O1 ZINC000188996002 1208925525 /nfs/dbraw/zinc/92/55/25/1208925525.db2.gz BEAGVPSWGBGEEN-KBPBESRZSA-N -1 1 329.356 2.401 20 0 EEADMM CC[C@H]1CN(C(=O)CC2CCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000948352811 1209075815 /nfs/dbraw/zinc/07/58/15/1209075815.db2.gz DOFWVEJLHFHXAN-LSDHHAIUSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H]1CN(C(=O)C2(C)CCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000948500697 1209178697 /nfs/dbraw/zinc/17/86/97/1209178697.db2.gz CXEXPQPVIPWPTL-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC1CCCCC1 ZINC000948618868 1209255079 /nfs/dbraw/zinc/25/50/79/1209255079.db2.gz MHIWREDYWLHNFS-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C/C(=C/C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000948840772 1209411909 /nfs/dbraw/zinc/41/19/09/1209411909.db2.gz GFAPHCOMDQTWDW-QBFSEMIESA-N -1 1 343.427 2.112 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)[C@H]1CC12CCCC2 ZINC000950543143 1210268144 /nfs/dbraw/zinc/26/81/44/1210268144.db2.gz RPPIGWSXORGBOP-ZIAGYGMSSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1coc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC001015411209 1225218270 /nfs/dbraw/zinc/21/82/70/1225218270.db2.gz MYTMCYPFEDWELK-CHWSQXEVSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)Cc2sc(N)nc2[O-])cc1 ZINC000080771943 1211041880 /nfs/dbraw/zinc/04/18/80/1211041880.db2.gz CXDQUSIVELVXNF-SOUVJXGZSA-N -1 1 345.468 2.436 20 0 EEADMM CCCC(=O)N1CCC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000952903398 1211614398 /nfs/dbraw/zinc/61/43/98/1211614398.db2.gz ZYOYFWQADSUAFE-SFHVURJKSA-N -1 1 331.416 2.042 20 0 EEADMM CCC(=O)N1CCC([C@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC000953154105 1211684120 /nfs/dbraw/zinc/68/41/20/1211684120.db2.gz JPPICTBXWFXBNO-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cscc1C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001012440510 1225316511 /nfs/dbraw/zinc/31/65/11/1225316511.db2.gz FXWTWPQLCDHVJY-NWDGAFQWSA-N -1 1 345.424 2.190 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC000953592727 1211904710 /nfs/dbraw/zinc/90/47/10/1211904710.db2.gz NBMFKVXBKPABSC-DZGCQCFKSA-N -1 1 343.427 2.397 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC000953630955 1211927375 /nfs/dbraw/zinc/92/73/75/1211927375.db2.gz SLATZWSURMHDLI-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)C1 ZINC000953888253 1212190347 /nfs/dbraw/zinc/19/03/47/1212190347.db2.gz MDDCTVOIDZAXDC-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC000954127768 1212477086 /nfs/dbraw/zinc/47/70/86/1212477086.db2.gz GFUKSFLSYACGDT-LJQANCHMSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)CN1C(=O)c1ncccc1[O-] ZINC001012507405 1225393549 /nfs/dbraw/zinc/39/35/49/1225393549.db2.gz SRIANDVPOOCUBA-OCCSQVGLSA-N -1 1 343.427 2.087 20 0 EEADMM CC[C@@]1(C(C)C)C[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955192334 1212902193 /nfs/dbraw/zinc/90/21/93/1212902193.db2.gz XPEXQYSVLPXXEZ-LIRRHRJNSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H]1C[C@H](NC(=O)CC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955649596 1213235594 /nfs/dbraw/zinc/23/55/94/1213235594.db2.gz IYBPZHRYMHHOMG-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)c1 ZINC000955783463 1213332650 /nfs/dbraw/zinc/33/26/50/1213332650.db2.gz WEGRIHZEFZDMJW-CHWSQXEVSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)CC1(C)CCCC1 ZINC001012555654 1225441324 /nfs/dbraw/zinc/44/13/24/1225441324.db2.gz HMOKETZHWXPKIN-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)CC1(C)CCCC1 ZINC001012555656 1225441340 /nfs/dbraw/zinc/44/13/40/1225441340.db2.gz HMOKETZHWXPKIN-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM CC1(NC(=O)C2CCCC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956266421 1213656110 /nfs/dbraw/zinc/65/61/10/1213656110.db2.gz JVWZCIUWUWGFJT-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CCCC(=O)N1CC[C@]2(C1)CCCCN(C(=O)c1ncccc1[O-])C2 ZINC000956550460 1214059347 /nfs/dbraw/zinc/05/93/47/1214059347.db2.gz RPFMEIPTWLHFFB-IBGZPJMESA-N -1 1 345.443 2.432 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)c2sccc2F)C1 ZINC000956849126 1214525621 /nfs/dbraw/zinc/52/56/21/1214525621.db2.gz LTKAJMBJWIDKCR-INIZCTEOSA-N -1 1 349.387 2.022 20 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EEADMM Cc1nsc(NC2CC3(CC(NC(=O)c4ncccc4[O-])C3)C2)n1 ZINC001056517293 1239426075 /nfs/dbraw/zinc/42/60/75/1239426075.db2.gz IYRFVUTZONDTJS-UHFFFAOYSA-N -1 1 345.428 2.100 20 0 EEADMM CCOC(=O)c1nc(NC(=O)c2cc(=O)c3ccc(F)cc3o2)c[n-]1 ZINC000803191854 1239718773 /nfs/dbraw/zinc/71/87/73/1239718773.db2.gz HGKMIOCQRPBUPW-UHFFFAOYSA-N -1 1 345.286 2.084 20 0 EEADMM CCn1nc(C)c(S(=O)(=O)[N-]c2c(Cl)c(C)nn2C)c1C ZINC000903165342 1239910329 /nfs/dbraw/zinc/91/03/29/1239910329.db2.gz HWWINIUYDGOEJJ-UHFFFAOYSA-N -1 1 331.829 2.016 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(CN3CCCCC3=O)CC2)c1 ZINC000903894545 1242366685 /nfs/dbraw/zinc/36/66/85/1242366685.db2.gz ZCMSBXNGLFHMRR-UHFFFAOYSA-N -1 1 331.416 2.004 20 0 EEADMM Cc1nccc(N[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001049893451 1242573084 /nfs/dbraw/zinc/57/30/84/1242573084.db2.gz KEAHWXRJPCGHOJ-CQSZACIVSA-N -1 1 341.415 2.383 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H](Nc2ncc(F)cn2)C1 ZINC001049894624 1242576464 /nfs/dbraw/zinc/57/64/64/1242576464.db2.gz 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CCc1nc2ccccc2c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1C ZINC001296065740 1329868027 /nfs/dbraw/zinc/86/80/27/1329868027.db2.gz ZEVRJQYXJACHTR-LLVKDONJSA-N -1 1 338.415 2.494 20 0 EEADMM C[C@]1(CCNC(=O)c2csc(-c3nn[n-]n3)c2)C[C@]1(F)Cl ZINC001590127951 1349167400 /nfs/dbraw/zinc/16/74/00/1349167400.db2.gz RSFHUHNMVYUXOK-NWDGAFQWSA-N -1 1 329.788 2.363 20 0 EEADMM Nc1c(NS(=O)(=O)c2cc(F)cc(F)c2)cccc1C(=O)[O-] ZINC001601210209 1350231865 /nfs/dbraw/zinc/23/18/65/1350231865.db2.gz ZOHVWASPSZVEAX-UHFFFAOYSA-N -1 1 328.296 2.046 20 0 EEADMM O=C([O-])[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)C1CC1 ZINC001601324797 1350257775 /nfs/dbraw/zinc/25/77/75/1350257775.db2.gz HDEDOHZAZQIOSF-QGZVFWFLSA-N -1 1 331.416 2.068 20 0 EEADMM C[C@@H]1OCC[C@@]12CN([C@H](C(=O)[O-])c1ccccc1Cl)CCO2 ZINC001604833731 1351017780 /nfs/dbraw/zinc/01/77/80/1351017780.db2.gz FIYPYHCCHXNSOG-HZUKXOBISA-N -1 1 325.792 2.346 20 0 EEADMM CCC(=O)c1cccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001604864993 1351021802 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345.374 2.486 20 0 EEADMM O=C([O-])c1cc(F)ccc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC001608851856 1351778781 /nfs/dbraw/zinc/77/87/81/1351778781.db2.gz RBVDDIOLSFFJMD-UHFFFAOYSA-N -1 1 339.300 2.053 20 0 EEADMM CCC[C@@H](NC(=O)c1cc(C)nc2cc(F)ccc21)c1nn[n-]n1 ZINC001319126012 1332653214 /nfs/dbraw/zinc/65/32/14/1332653214.db2.gz NCEWZMQBVIWJQD-CYBMUJFWSA-N -1 1 328.351 2.467 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CC(Cc3ccsc3)C2)cc1 ZINC001608906770 1351791571 /nfs/dbraw/zinc/79/15/71/1351791571.db2.gz PHYVMCRHOWZYHD-MRXNPFEDSA-N -1 1 347.436 2.361 20 0 EEADMM O=C([O-])c1cncc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC001608983000 1351808033 /nfs/dbraw/zinc/80/80/33/1351808033.db2.gz JDNCKDMOKIQIST-UHFFFAOYSA-N -1 1 348.380 2.369 20 0 EEADMM C[C@H](Cc1ccccc1)NC(=S)NN=c1[n-]ncc(N)c1Cl ZINC001320937062 1332983213 /nfs/dbraw/zinc/98/32/13/1332983213.db2.gz ZSZUFYIOCVFOPS-SECBINFHSA-N -1 1 336.852 2.134 20 0 EEADMM CC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001609067247 1351830159 /nfs/dbraw/zinc/83/01/59/1351830159.db2.gz BMCNHYNRIWGGSR-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001609074234 1351830747 /nfs/dbraw/zinc/83/07/47/1351830747.db2.gz HNNDRXWWGNNENR-CYBMUJFWSA-N -1 1 330.436 2.134 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(Cn2cccc(-c3nnn[n-]3)c2=O)CC1 ZINC001609074234 1351830754 /nfs/dbraw/zinc/83/07/54/1351830754.db2.gz HNNDRXWWGNNENR-CYBMUJFWSA-N -1 1 330.436 2.134 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001609074141 1351831423 /nfs/dbraw/zinc/83/14/23/1351831423.db2.gz DUBKGLMNKPIVDM-JGVFFNPUSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC001609083612 1351834285 /nfs/dbraw/zinc/83/42/85/1351834285.db2.gz QIVAFOVOYYGJFP-UHFFFAOYSA-N -1 1 336.399 2.260 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001609083612 1351834290 /nfs/dbraw/zinc/83/42/90/1351834290.db2.gz QIVAFOVOYYGJFP-UHFFFAOYSA-N -1 1 336.399 2.260 20 0 EEADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001609093539 1351840167 /nfs/dbraw/zinc/84/01/67/1351840167.db2.gz GYNKEHIJMGNSHO-NWDGAFQWSA-N -1 1 347.394 2.329 20 0 EEADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001609093539 1351840168 /nfs/dbraw/zinc/84/01/68/1351840168.db2.gz GYNKEHIJMGNSHO-NWDGAFQWSA-N -1 1 347.394 2.329 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001609144040 1351859902 /nfs/dbraw/zinc/85/99/02/1351859902.db2.gz GJQYFRSSJKMWGE-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001609144040 1351859904 /nfs/dbraw/zinc/85/99/04/1351859904.db2.gz GJQYFRSSJKMWGE-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM CC(C)OC(=O)COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001324668362 1333734798 /nfs/dbraw/zinc/73/47/98/1333734798.db2.gz CRIMMDNEFNVPQS-UHFFFAOYSA-N -1 1 345.351 2.480 20 0 EEADMM O=C(COC(=O)c1ccnn1-c1ccccc1)c1ccc([O-])cc1O ZINC001325025887 1333813960 /nfs/dbraw/zinc/81/39/60/1333813960.db2.gz CDLUDFMGYWZITH-UHFFFAOYSA-N -1 1 338.319 2.323 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)c2cccc(F)c2O1 ZINC001609174238 1351876824 /nfs/dbraw/zinc/87/68/24/1351876824.db2.gz SRQCJYZIQZPVQT-MRVPVSSYSA-N -1 1 332.364 2.250 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)c2cccc(F)c2O1 ZINC001609174238 1351876826 /nfs/dbraw/zinc/87/68/26/1351876826.db2.gz SRQCJYZIQZPVQT-MRVPVSSYSA-N -1 1 332.364 2.250 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@H](c2ccccc2)CO1 ZINC001609173627 1351876918 /nfs/dbraw/zinc/87/69/18/1351876918.db2.gz LCIQJOQDYFVPIS-FZMZJTMJSA-N -1 1 342.428 2.285 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@H](c2ccccc2)CO1 ZINC001609173627 1351876920 /nfs/dbraw/zinc/87/69/20/1351876920.db2.gz LCIQJOQDYFVPIS-FZMZJTMJSA-N -1 1 342.428 2.285 20 0 EEADMM CC[C@H](C)N(Cc1ccccc1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001609184633 1351880697 /nfs/dbraw/zinc/88/06/97/1351880697.db2.gz JRWNCOKOXSHBNQ-AWEZNQCLSA-N -1 1 338.415 2.287 20 0 EEADMM CCOc1ccc(OC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)cc1 ZINC001609245306 1351907569 /nfs/dbraw/zinc/90/75/69/1351907569.db2.gz FLQGTTNLZSWDOJ-UHFFFAOYSA-N -1 1 326.312 2.190 20 0 EEADMM CCc1cccc(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001609253039 1351909733 /nfs/dbraw/zinc/90/97/33/1351909733.db2.gz LEYQPWLPCMOZKR-UHFFFAOYSA-N -1 1 328.401 2.375 20 0 EEADMM CCc1cccc(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001609253039 1351909735 /nfs/dbraw/zinc/90/97/35/1351909735.db2.gz LEYQPWLPCMOZKR-UHFFFAOYSA-N -1 1 328.401 2.375 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC[C@@H]2CCC[C@@H](C)C2)c1 ZINC001609302004 1351924317 /nfs/dbraw/zinc/92/43/17/1351924317.db2.gz NLNZBEKBKWDGIJ-NEPJUHHUSA-N -1 1 345.403 2.031 20 0 EEADMM COC(=O)c1ccc(Cl)c(COc2cccnc2-c2nnn[n-]2)c1 ZINC001609303426 1351925107 /nfs/dbraw/zinc/92/51/07/1351925107.db2.gz SYYCBTZWWNNJQA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COC(=O)c1ccc(Cl)c(COc2cccnc2-c2nn[n-]n2)c1 ZINC001609303426 1351925109 /nfs/dbraw/zinc/92/51/09/1351925109.db2.gz SYYCBTZWWNNJQA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CO[C@H]1C[C@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313318 1351929649 /nfs/dbraw/zinc/92/96/49/1351929649.db2.gz IBIBHUDXFJYSOC-YUMQZZPRSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@H]1C[C@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313318 1351929651 /nfs/dbraw/zinc/92/96/51/1351929651.db2.gz IBIBHUDXFJYSOC-YUMQZZPRSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@]1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCc2ccccc21 ZINC001329274002 1334618914 /nfs/dbraw/zinc/61/89/14/1334618914.db2.gz VQNDMHMCSLTQRQ-FQEVSTJZSA-N -1 1 337.375 2.390 20 0 EEADMM COc1cc(CN(C)c2cc(C)nc(-c3nnn[n-]3)c2)cc(OC)c1 ZINC001609341957 1351938297 /nfs/dbraw/zinc/93/82/97/1351938297.db2.gz PBUAGGDPTWAPCY-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cc(CN(C)c2cc(C)nc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC001609341957 1351938298 /nfs/dbraw/zinc/93/82/98/1351938298.db2.gz PBUAGGDPTWAPCY-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609362062 1351947158 /nfs/dbraw/zinc/94/71/58/1351947158.db2.gz QGDQMKWVVAWLLJ-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609362062 1351947163 /nfs/dbraw/zinc/94/71/63/1351947163.db2.gz QGDQMKWVVAWLLJ-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM CSc1cccc(F)c1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609373104 1351950541 /nfs/dbraw/zinc/95/05/41/1351950541.db2.gz JALJVZFEWSLJFV-UHFFFAOYSA-N -1 1 333.348 2.251 20 0 EEADMM CSc1cccc(F)c1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609373104 1351950544 /nfs/dbraw/zinc/95/05/44/1351950544.db2.gz JALJVZFEWSLJFV-UHFFFAOYSA-N -1 1 333.348 2.251 20 0 EEADMM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1N1CCN(C)CC1 ZINC001330605019 1334875927 /nfs/dbraw/zinc/87/59/27/1334875927.db2.gz BMUNJZNPFXYJMM-MRXNPFEDSA-N -1 1 347.459 2.432 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C)c2)ccc1F ZINC001609410612 1351966075 /nfs/dbraw/zinc/96/60/75/1351966075.db2.gz NKOHOYCDWANZCL-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC001609426249 1351972345 /nfs/dbraw/zinc/97/23/45/1351972345.db2.gz KCEYNWDDXDWZJR-RDTXWAMCSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1ccc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC001609426249 1351972347 /nfs/dbraw/zinc/97/23/47/1351972347.db2.gz KCEYNWDDXDWZJR-RDTXWAMCSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609422479 1351970631 /nfs/dbraw/zinc/97/06/31/1351970631.db2.gz XZNMETRGXIAHEL-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609422479 1351970632 /nfs/dbraw/zinc/97/06/32/1351970632.db2.gz XZNMETRGXIAHEL-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609436523 1351975816 /nfs/dbraw/zinc/97/58/16/1351975816.db2.gz VXXSVYIRHCUOFY-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1ccccc1Cc1nc(COc2cccnc2-c2nnn[n-]2)no1 ZINC001609437235 1351976704 /nfs/dbraw/zinc/97/67/04/1351976704.db2.gz STUJDVUSPYRXNH-UHFFFAOYSA-N -1 1 349.354 2.123 20 0 EEADMM Cc1ccccc1Cc1nc(COc2cccnc2-c2nn[n-]n2)no1 ZINC001609437235 1351976708 /nfs/dbraw/zinc/97/67/08/1351976708.db2.gz STUJDVUSPYRXNH-UHFFFAOYSA-N -1 1 349.354 2.123 20 0 EEADMM Cc1nsc(NC(=O)NC[C@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC001609465937 1351987907 /nfs/dbraw/zinc/98/79/07/1351987907.db2.gz WSZWNYXYQZNZGZ-SNVBAGLBSA-N -1 1 341.400 2.093 20 0 EEADMM Cc1nsc(NC(=O)NC[C@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC001609465937 1351987910 /nfs/dbraw/zinc/98/79/10/1351987910.db2.gz WSZWNYXYQZNZGZ-SNVBAGLBSA-N -1 1 341.400 2.093 20 0 EEADMM Cn1ncc(NCc2nc(-c3nnn[n-]3)cs2)c1-c1ccccc1 ZINC001609482647 1351993299 /nfs/dbraw/zinc/99/32/99/1351993299.db2.gz MGBBYJLXPYFLOP-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM Cn1ncc(NCc2nc(-c3nn[n-]n3)cs2)c1-c1ccccc1 ZINC001609482647 1351993300 /nfs/dbraw/zinc/99/33/00/1351993300.db2.gz MGBBYJLXPYFLOP-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM C[C@H](CSCCNCc1cccnc1Br)C(=O)[O-] ZINC001331846902 1335655420 /nfs/dbraw/zinc/65/54/20/1335655420.db2.gz WMXXAWYFTMBFAX-SECBINFHSA-N -1 1 333.251 2.388 20 0 EEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)c1ccc2ccccc2c1 ZINC001609537418 1352009279 /nfs/dbraw/zinc/00/92/79/1352009279.db2.gz PLTQJBQDWOLCCK-UHFFFAOYSA-N -1 1 331.335 2.065 20 0 EEADMM O=C(Nc1ccc(SC(F)F)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609566047 1352018423 /nfs/dbraw/zinc/01/84/23/1352018423.db2.gz WYJFEDOEHOQODW-UHFFFAOYSA-N -1 1 338.299 2.422 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001609566097 1352018863 /nfs/dbraw/zinc/01/88/63/1352018863.db2.gz AGRYNJPAZBCQAN-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001609566097 1352018869 /nfs/dbraw/zinc/01/88/69/1352018869.db2.gz AGRYNJPAZBCQAN-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccsc1 ZINC001609610255 1352037142 /nfs/dbraw/zinc/03/71/42/1352037142.db2.gz ZFWRKLCZXBDXCH-LURJTMIESA-N -1 1 328.810 2.184 20 0 EEADMM OC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccsc1 ZINC001609610255 1352037144 /nfs/dbraw/zinc/03/71/44/1352037144.db2.gz ZFWRKLCZXBDXCH-LURJTMIESA-N -1 1 328.810 2.184 20 0 EEADMM C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609637529 1352047604 /nfs/dbraw/zinc/04/76/04/1352047604.db2.gz ZPUFNFBPWMLLNX-HWPZZCPQSA-N -1 1 326.343 2.479 20 0 EEADMM CC(C)n1cc([C@H](C)NCC(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001609774939 1352081987 /nfs/dbraw/zinc/08/19/87/1352081987.db2.gz XOHLEVYVQKROKC-LBPRGKRZSA-N -1 1 330.388 2.452 20 0 EEADMM C[C@@H](NCc1nc(-c2ccccc2)n[nH]1)c1ncc(C(=O)[O-])s1 ZINC001609780198 1352083929 /nfs/dbraw/zinc/08/39/29/1352083929.db2.gz OVULQTZAAVNYSU-SECBINFHSA-N -1 1 329.385 2.477 20 0 EEADMM C[C@@H](NCc1n[nH]c(-c2ccccc2)n1)c1ncc(C(=O)[O-])s1 ZINC001609780198 1352083933 /nfs/dbraw/zinc/08/39/33/1352083933.db2.gz OVULQTZAAVNYSU-SECBINFHSA-N -1 1 329.385 2.477 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC(O)(C(F)F)CC2)cc1)C(=O)[O-] ZINC001609803703 1352089256 /nfs/dbraw/zinc/08/92/56/1352089256.db2.gz UMDZQRMLRPJNNV-NSHDSACASA-N -1 1 329.343 2.131 20 0 EEADMM CC1(C)CN(CCOc2cccc(C(=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC001609819219 1352093263 /nfs/dbraw/zinc/09/32/63/1352093263.db2.gz SCHIZXZFWOAVLZ-GOSISDBHSA-N -1 1 335.400 2.034 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnc(Cl)c(Cl)c1 ZINC001609870528 1352108369 /nfs/dbraw/zinc/10/83/69/1352108369.db2.gz IXJSNVYIYJAKIJ-SECBINFHSA-N -1 1 346.214 2.009 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609900244 1352114675 /nfs/dbraw/zinc/11/46/75/1352114675.db2.gz NZOGCXYROBLCAE-MLGOLLRUSA-N -1 1 336.407 2.410 20 0 EEADMM O=c1[nH][n-]cc1-c1nnc(N2CCSCC2)n1Cc1cccs1 ZINC001343554646 1337336978 /nfs/dbraw/zinc/33/69/78/1337336978.db2.gz QULRVXJTISGSPW-UHFFFAOYSA-N -1 1 348.457 2.037 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC001343574931 1337337886 /nfs/dbraw/zinc/33/78/86/1337337886.db2.gz AXCHIRCQOTYEFM-UHFFFAOYSA-N -1 1 344.396 2.064 20 0 EEADMM CCN1C[C@H](C)N(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)C[C@@H]1C ZINC001610005043 1352138787 /nfs/dbraw/zinc/13/87/87/1352138787.db2.gz XDQJCJORCNVZDJ-STQMWFEESA-N -1 1 343.427 2.463 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1ccc(C(F)(F)F)cn1 ZINC001100070826 1337978145 /nfs/dbraw/zinc/97/81/45/1337978145.db2.gz CSORZHGZMPNHLD-UHFFFAOYSA-N -1 1 340.305 2.067 20 0 EEADMM CNc1ccccc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001413860325 1338272013 /nfs/dbraw/zinc/27/20/13/1338272013.db2.gz WEROSYMEDOCHTN-JQWIXIFHSA-N -1 1 343.349 2.400 20 0 EEADMM CO[C@@H](CC(C)C)CS(=O)(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001610228290 1352190716 /nfs/dbraw/zinc/19/07/16/1352190716.db2.gz FLUOJCVBBIHGNY-NSHDSACASA-N -1 1 345.417 2.202 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001610235367 1352191694 /nfs/dbraw/zinc/19/16/94/1352191694.db2.gz ILJIVLFKEFACEP-ULKVUYOBSA-N -1 1 345.399 2.183 20 0 EEADMM O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001354111791 1338425231 /nfs/dbraw/zinc/42/52/31/1338425231.db2.gz SSRIARSREHOQIO-GFCCVEGCSA-N -1 1 341.396 2.142 20 0 EEADMM COCc1nc(NS(=O)(=O)c2ccccc2C)sc1C(=O)[O-] ZINC001610273884 1352197572 /nfs/dbraw/zinc/19/75/72/1352197572.db2.gz LKBNWXDBHPRTRC-UHFFFAOYSA-N -1 1 342.398 2.097 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1cc(C)nc(C(C)C)n1 ZINC001100500818 1338443728 /nfs/dbraw/zinc/44/37/28/1338443728.db2.gz CKUMKAIJFBQQLV-UHFFFAOYSA-N -1 1 343.431 2.265 20 0 EEADMM COc1cccc(C2(NCC(=O)Nc3cccc(C(=O)[O-])n3)CC2)c1 ZINC001610354714 1352209709 /nfs/dbraw/zinc/20/97/09/1352209709.db2.gz LNYINXNZYQHSHC-UHFFFAOYSA-N -1 1 341.367 2.006 20 0 EEADMM COc1cccc([C@@](C)(CC(=O)[O-])NCC(=O)NC2CCCCC2)c1 ZINC001610356035 1352210193 /nfs/dbraw/zinc/21/01/93/1352210193.db2.gz HVLRMHHCKWKKKX-LJQANCHMSA-N -1 1 348.443 2.424 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC2(C1)CCOCC2 ZINC001355514156 1338725436 /nfs/dbraw/zinc/72/54/36/1338725436.db2.gz ROZKDUOUJOMYFP-UHFFFAOYSA-N -1 1 349.822 2.243 20 0 EEADMM Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(F)c1Cl ZINC001610484360 1352230765 /nfs/dbraw/zinc/23/07/65/1352230765.db2.gz WTRWINANCNLDJO-LLVKDONJSA-N -1 1 342.798 2.409 20 0 EEADMM Cc1ccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1C(=O)[O-] ZINC001610508667 1352235930 /nfs/dbraw/zinc/23/59/30/1352235930.db2.gz XGNMLFDTWIIGKL-UHFFFAOYSA-N -1 1 331.376 2.431 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCN(c2ccccc2)CC1 ZINC001610571205 1352247225 /nfs/dbraw/zinc/24/72/25/1352247225.db2.gz WFAKJUPKOQOPHR-UHFFFAOYSA-N -1 1 342.443 2.297 20 0 EEADMM Cc1sc(NC(=O)CN2C[C@H](C)N(C)C[C@H]2C)c(C(=O)[O-])c1C ZINC001610592012 1352250710 /nfs/dbraw/zinc/25/07/10/1352250710.db2.gz QFQUZTLJIPXMMK-VHSXEESVSA-N -1 1 339.461 2.026 20 0 EEADMM C[C@@H](CN(C)C(=O)C1(F)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001427714149 1339378242 /nfs/dbraw/zinc/37/82/42/1339378242.db2.gz NUDMVAVCQYXXEF-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM O=C([O-])[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1F ZINC001610717879 1352264088 /nfs/dbraw/zinc/26/40/88/1352264088.db2.gz KCAGZUXJQVWODL-GJZGRUSLSA-N -1 1 326.331 2.449 20 0 EEADMM CC(C)[C@@H](F)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428372620 1339483678 /nfs/dbraw/zinc/48/36/78/1339483678.db2.gz TUIUZCHSKIKFKG-CHWSQXEVSA-N -1 1 339.411 2.042 20 0 EEADMM CC[C@H](C)C(=O)N(C)C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001430116115 1340130000 /nfs/dbraw/zinc/13/00/00/1340130000.db2.gz PJJLUTQLIKPQNE-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM CC(F)(F)C(=O)[N-]C1(CNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC001432298009 1341254617 /nfs/dbraw/zinc/25/46/17/1341254617.db2.gz OUFWHWBYIKOOKH-UHFFFAOYSA-N -1 1 336.260 2.138 20 0 EEADMM CCOC(=O)C(CC)(CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001434248898 1341805324 /nfs/dbraw/zinc/80/53/24/1341805324.db2.gz RHHLGEQPCGAWOU-UHFFFAOYSA-N -1 1 335.404 2.159 20 0 EEADMM CC[C@H](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001447279574 1342081948 /nfs/dbraw/zinc/08/19/48/1342081948.db2.gz DPKXHMDKPFFMIQ-SOUVJXGZSA-N -1 1 345.443 2.429 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccn2cc(C(F)(F)F)nc12 ZINC001556827346 1342435334 /nfs/dbraw/zinc/43/53/34/1342435334.db2.gz JDUGESCOIBKYIU-UHFFFAOYSA-N -1 1 325.250 2.343 20 0 EEADMM CC1(C)[C@@H](c2cccc(F)c2)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001573655597 1343649464 /nfs/dbraw/zinc/64/94/64/1343649464.db2.gz IIHGKXWAFBDBSP-CABCVRRESA-N -1 1 334.391 2.079 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001577160909 1344096818 /nfs/dbraw/zinc/09/68/18/1344096818.db2.gz KFGXLLKTGBZBKD-GFCCVEGCSA-N -1 1 342.407 2.034 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001577160909 1344096820 /nfs/dbraw/zinc/09/68/20/1344096820.db2.gz KFGXLLKTGBZBKD-GFCCVEGCSA-N -1 1 342.407 2.034 20 0 EEADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577202741 1344103349 /nfs/dbraw/zinc/10/33/49/1344103349.db2.gz JYCKTUISTQKKLQ-RQJHMYQMSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577202741 1344103354 /nfs/dbraw/zinc/10/33/54/1344103354.db2.gz JYCKTUISTQKKLQ-RQJHMYQMSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577202740 1344103989 /nfs/dbraw/zinc/10/39/89/1344103989.db2.gz JYCKTUISTQKKLQ-RNFRBKRXSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577202740 1344103995 /nfs/dbraw/zinc/10/39/95/1344103995.db2.gz JYCKTUISTQKKLQ-RNFRBKRXSA-N -1 1 343.844 2.082 20 0 EEADMM CCc1nc(NCc2c[nH]c(=O)c3ccccc23)cc(-c2nnn[n-]2)n1 ZINC001578669180 1344293549 /nfs/dbraw/zinc/29/35/49/1344293549.db2.gz FLEYJNVEKKWBPL-UHFFFAOYSA-N -1 1 348.370 2.085 20 0 EEADMM CCc1nc(NCc2c[nH]c(=O)c3ccccc23)cc(-c2nn[n-]n2)n1 ZINC001578669180 1344293551 /nfs/dbraw/zinc/29/35/51/1344293551.db2.gz FLEYJNVEKKWBPL-UHFFFAOYSA-N -1 1 348.370 2.085 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(Cl)c1 ZINC001578879155 1344313118 /nfs/dbraw/zinc/31/31/18/1344313118.db2.gz IBBRPXBTLKEIPO-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(Cl)c1 ZINC001578879155 1344313119 /nfs/dbraw/zinc/31/31/19/1344313119.db2.gz IBBRPXBTLKEIPO-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM COc1cc(Cl)ccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001579929717 1344433975 /nfs/dbraw/zinc/43/39/75/1344433975.db2.gz YXXHELJGESRAPZ-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cc(Cl)ccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001579929717 1344433981 /nfs/dbraw/zinc/43/39/81/1344433981.db2.gz YXXHELJGESRAPZ-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM Nc1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c(Cl)c1 ZINC001580443155 1344521503 /nfs/dbraw/zinc/52/15/03/1344521503.db2.gz SVWZEXCGDKGIRD-UHFFFAOYSA-N -1 1 344.762 2.267 20 0 EEADMM Cc1c(F)cccc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001580556183 1344535824 /nfs/dbraw/zinc/53/58/24/1344535824.db2.gz MPDTWKNRUJCMGH-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1c(F)cccc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001580556183 1344535827 /nfs/dbraw/zinc/53/58/27/1344535827.db2.gz MPDTWKNRUJCMGH-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001580604004 1344542263 /nfs/dbraw/zinc/54/22/63/1344542263.db2.gz ZDHILNHCVQAJJZ-NWDGAFQWSA-N -1 1 344.419 2.220 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC001580609394 1344542499 /nfs/dbraw/zinc/54/24/99/1344542499.db2.gz WRDURGWICVBLCB-UHFFFAOYSA-N -1 1 335.289 2.404 20 0 EEADMM Cc1ccc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001581193373 1344595638 /nfs/dbraw/zinc/59/56/38/1344595638.db2.gz CLDZZOKYLLBJRU-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM Cc1ccc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001581193373 1344595643 /nfs/dbraw/zinc/59/56/43/1344595643.db2.gz CLDZZOKYLLBJRU-UHFFFAOYSA-N -1 1 337.387 2.243 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)C2CCCCC2)c1-c1nn[n-]n1 ZINC001581716801 1344658069 /nfs/dbraw/zinc/65/80/69/1344658069.db2.gz ZZOZGCLXHFMWCD-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Clc1ccc(NC[C@]23C[C@H]2COC32CCC2)nc1-c1nnn[n-]1 ZINC001581745440 1344659204 /nfs/dbraw/zinc/65/92/04/1344659204.db2.gz DTQNPWKSKYEYPO-LKFCYVNXSA-N -1 1 332.795 2.286 20 0 EEADMM Clc1ccc(NC[C@]23C[C@H]2COC32CCC2)nc1-c1nn[n-]n1 ZINC001581745440 1344659208 /nfs/dbraw/zinc/65/92/08/1344659208.db2.gz DTQNPWKSKYEYPO-LKFCYVNXSA-N -1 1 332.795 2.286 20 0 EEADMM O=C(NCCc1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582526484 1344758263 /nfs/dbraw/zinc/75/82/63/1344758263.db2.gz FZHWNBPKCIXPOO-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O=C(NCCc1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582526484 1344758267 /nfs/dbraw/zinc/75/82/67/1344758267.db2.gz FZHWNBPKCIXPOO-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1CCC=CCC1 ZINC001582549495 1344760922 /nfs/dbraw/zinc/76/09/22/1344760922.db2.gz CBRKHFDZFNUDSC-UHFFFAOYSA-N -1 1 332.433 2.474 20 0 EEADMM O=C(NCc1noc2ccc(F)cc12)c1ccc(-c2nnn[n-]2)s1 ZINC001582559292 1344763723 /nfs/dbraw/zinc/76/37/23/1344763723.db2.gz FJZIJXJWDCRKSJ-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(NCc1noc2ccc(F)cc12)c1ccc(-c2nn[n-]n2)s1 ZINC001582559292 1344763726 /nfs/dbraw/zinc/76/37/26/1344763726.db2.gz FJZIJXJWDCRKSJ-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM c1cc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001582817122 1344796353 /nfs/dbraw/zinc/79/63/53/1344796353.db2.gz WCEROKULOVOSFG-HIFRSBDPSA-N -1 1 326.404 2.047 20 0 EEADMM c1cc(N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001582817122 1344796357 /nfs/dbraw/zinc/79/63/57/1344796357.db2.gz WCEROKULOVOSFG-HIFRSBDPSA-N -1 1 326.404 2.047 20 0 EEADMM CC(=Cc1ccccn1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588772348 1348933969 /nfs/dbraw/zinc/93/39/69/1348933969.db2.gz NFLIYTAUTQKPNC-NTMALXAHSA-N -1 1 326.385 2.043 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589125029 1348961599 /nfs/dbraw/zinc/96/15/99/1348961599.db2.gz PQSMAENZBVNFRG-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589125029 1348961603 /nfs/dbraw/zinc/96/16/03/1348961603.db2.gz PQSMAENZBVNFRG-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001589193154 1348967516 /nfs/dbraw/zinc/96/75/16/1348967516.db2.gz JGJFBOPFEACHJV-QWRGUYRKSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001589193154 1348967519 /nfs/dbraw/zinc/96/75/19/1348967519.db2.gz JGJFBOPFEACHJV-QWRGUYRKSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)CC(F)F ZINC001589282913 1348979206 /nfs/dbraw/zinc/97/92/06/1348979206.db2.gz GVJHRDKACZQMDP-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)CC(F)F ZINC001589282913 1348979208 /nfs/dbraw/zinc/97/92/08/1348979208.db2.gz GVJHRDKACZQMDP-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589504236 1348998293 /nfs/dbraw/zinc/99/82/93/1348998293.db2.gz UWFYMJMLSIFXIM-KGLIPLIRSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589504236 1348998295 /nfs/dbraw/zinc/99/82/95/1348998295.db2.gz UWFYMJMLSIFXIM-KGLIPLIRSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)n1ncc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)n3)cc21 ZINC001589785109 1349041627 /nfs/dbraw/zinc/04/16/27/1349041627.db2.gz LIEOQIFFJPBGSW-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1ncc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)n3)cc21 ZINC001589785109 1349041630 /nfs/dbraw/zinc/04/16/30/1349041630.db2.gz LIEOQIFFJPBGSW-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589900221 1349057432 /nfs/dbraw/zinc/05/74/32/1349057432.db2.gz UQUUMAXMVDTRGO-JTQLQIEISA-N -1 1 329.335 2.302 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589900221 1349057437 /nfs/dbraw/zinc/05/74/37/1349057437.db2.gz UQUUMAXMVDTRGO-JTQLQIEISA-N -1 1 329.335 2.302 20 0 EEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001589941158 1349071283 /nfs/dbraw/zinc/07/12/83/1349071283.db2.gz OIVMBNUIIUDVGX-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@H](OC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(N(C)C)cn1 ZINC001590013284 1349108627 /nfs/dbraw/zinc/10/86/27/1349108627.db2.gz BRKPFBAUNDNJCD-VIFPVBQESA-N -1 1 344.400 2.307 20 0 EEADMM C[C@H](OC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(N(C)C)cn1 ZINC001590013284 1349108632 /nfs/dbraw/zinc/10/86/32/1349108632.db2.gz BRKPFBAUNDNJCD-VIFPVBQESA-N -1 1 344.400 2.307 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590052565 1349131159 /nfs/dbraw/zinc/13/11/59/1349131159.db2.gz POUWTLFTTFUGML-SNVBAGLBSA-N -1 1 339.359 2.192 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590052565 1349131166 /nfs/dbraw/zinc/13/11/66/1349131166.db2.gz POUWTLFTTFUGML-SNVBAGLBSA-N -1 1 339.359 2.192 20 0 EEADMM C[C@@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001590070492 1349136111 /nfs/dbraw/zinc/13/61/11/1349136111.db2.gz AHKSENIWKNGUIQ-GOSISDBHSA-N -1 1 334.383 2.494 20 0 EEADMM C[C@@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001590070492 1349136121 /nfs/dbraw/zinc/13/61/21/1349136121.db2.gz AHKSENIWKNGUIQ-GOSISDBHSA-N -1 1 334.383 2.494 20 0 EEADMM CC1(C)CO[C@@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590111402 1349160066 /nfs/dbraw/zinc/16/00/66/1349160066.db2.gz QWSAXJUBJJOECY-NSHDSACASA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)CO[C@@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590111402 1349160071 /nfs/dbraw/zinc/16/00/71/1349160071.db2.gz QWSAXJUBJJOECY-NSHDSACASA-N -1 1 339.403 2.427 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590242122 1349221678 /nfs/dbraw/zinc/22/16/78/1349221678.db2.gz ZKUUNBNSFLCKTH-UXOAXIEHSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590242122 1349221682 /nfs/dbraw/zinc/22/16/82/1349221682.db2.gz ZKUUNBNSFLCKTH-UXOAXIEHSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001590266569 1349239310 /nfs/dbraw/zinc/23/93/10/1349239310.db2.gz DHZCTRFPFKITIY-RQJHMYQMSA-N -1 1 341.828 2.486 20 0 EEADMM C[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1c1cccc(F)c1 ZINC001590274696 1349243666 /nfs/dbraw/zinc/24/36/66/1349243666.db2.gz OLZASHRGBSBXKA-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC001590274696 1349243668 /nfs/dbraw/zinc/24/36/68/1349243668.db2.gz OLZASHRGBSBXKA-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC001590300910 1349251880 /nfs/dbraw/zinc/25/18/80/1349251880.db2.gz KJVCTUFMNBPZTI-NHYWBVRUSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC001590300910 1349251882 /nfs/dbraw/zinc/25/18/82/1349251882.db2.gz KJVCTUFMNBPZTI-NHYWBVRUSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1COc2ccccc2CN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590328453 1349268631 /nfs/dbraw/zinc/26/86/31/1349268631.db2.gz GUXCBPLZPBQWKF-JTQLQIEISA-N -1 1 328.401 2.106 20 0 EEADMM C[C@H]1COc2ccccc2CN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590328453 1349268634 /nfs/dbraw/zinc/26/86/34/1349268634.db2.gz GUXCBPLZPBQWKF-JTQLQIEISA-N -1 1 328.401 2.106 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590355646 1349282260 /nfs/dbraw/zinc/28/22/60/1349282260.db2.gz TYEOQVUYAGUCON-QUCGXOGASA-N -1 1 347.448 2.211 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590355646 1349282270 /nfs/dbraw/zinc/28/22/70/1349282270.db2.gz TYEOQVUYAGUCON-QUCGXOGASA-N -1 1 347.448 2.211 20 0 EEADMM CC[C@H](CCO)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001590440217 1349326163 /nfs/dbraw/zinc/32/61/63/1349326163.db2.gz YCXNEENTBWBXCL-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM CC[C@H](CCO)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001590440217 1349326166 /nfs/dbraw/zinc/32/61/66/1349326166.db2.gz YCXNEENTBWBXCL-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM CCC1(C)CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590489438 1349353409 /nfs/dbraw/zinc/35/34/09/1349353409.db2.gz HFROTKNYJPVFEI-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM CCC1(C)CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590489438 1349353414 /nfs/dbraw/zinc/35/34/14/1349353414.db2.gz HFROTKNYJPVFEI-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM CCc1nc(Oc2ccc3ccc(=O)oc3c2)cc(-c2nnn[n-]2)n1 ZINC001590925671 1349413593 /nfs/dbraw/zinc/41/35/93/1349413593.db2.gz RUCJIQRZXHVLAZ-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1nc(Oc2ccc3ccc(=O)oc3c2)cc(-c2nn[n-]n2)n1 ZINC001590925671 1349413599 /nfs/dbraw/zinc/41/35/99/1349413599.db2.gz RUCJIQRZXHVLAZ-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccccc2OC)cc(-c2nnn[n-]2)n1 ZINC001590923710 1349414602 /nfs/dbraw/zinc/41/46/02/1349414602.db2.gz RYAHDKFOYLRFOX-NWDGAFQWSA-N -1 1 337.387 2.196 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccccc2OC)cc(-c2nn[n-]n2)n1 ZINC001590923710 1349414607 /nfs/dbraw/zinc/41/46/07/1349414607.db2.gz RYAHDKFOYLRFOX-NWDGAFQWSA-N -1 1 337.387 2.196 20 0 EEADMM CN(C(=O)c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993881 1349428317 /nfs/dbraw/zinc/42/83/17/1349428317.db2.gz UYMKPKZIPLYUFX-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM COC(=O)[C@](C)(NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001591227946 1349450378 /nfs/dbraw/zinc/45/03/78/1349450378.db2.gz FYGKEJWBSWHHQX-MRXNPFEDSA-N -1 1 343.412 2.106 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591336079 1349463440 /nfs/dbraw/zinc/46/34/40/1349463440.db2.gz NGCNHZFIAPGANH-MEBBXXQBSA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591336079 1349463442 /nfs/dbraw/zinc/46/34/42/1349463442.db2.gz NGCNHZFIAPGANH-MEBBXXQBSA-N -1 1 328.351 2.011 20 0 EEADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Cl)cc1 ZINC001591383090 1349478094 /nfs/dbraw/zinc/47/80/94/1349478094.db2.gz ULBRVBJLNBYUGW-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Cl)cc1 ZINC001591383090 1349478100 /nfs/dbraw/zinc/47/81/00/1349478100.db2.gz ULBRVBJLNBYUGW-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COCCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCCC1 ZINC001591400825 1349481626 /nfs/dbraw/zinc/48/16/26/1349481626.db2.gz XYLYUTBNQCPALY-UHFFFAOYSA-N -1 1 345.407 2.003 20 0 EEADMM COCCOc1cccc(Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591446339 1349484635 /nfs/dbraw/zinc/48/46/35/1349484635.db2.gz QWSZGKIWCXPJRF-UHFFFAOYSA-N -1 1 332.389 2.400 20 0 EEADMM COc1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC001591583940 1349509889 /nfs/dbraw/zinc/50/98/89/1349509889.db2.gz PHIXASWKTIBXBX-UHFFFAOYSA-N -1 1 328.328 2.063 20 0 EEADMM COc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001591583940 1349509892 /nfs/dbraw/zinc/50/98/92/1349509892.db2.gz PHIXASWKTIBXBX-UHFFFAOYSA-N -1 1 328.328 2.063 20 0 EEADMM COc1ccccc1CCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591648126 1349524483 /nfs/dbraw/zinc/52/44/83/1349524483.db2.gz AAKCIJFYSUSIAZ-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM COc1ccccc1CCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591648126 1349524492 /nfs/dbraw/zinc/52/44/92/1349524492.db2.gz AAKCIJFYSUSIAZ-UHFFFAOYSA-N -1 1 339.355 2.060 20 0 EEADMM COc1ccccc1CCCOc1ccc(F)nc1-c1nnn[n-]1 ZINC001591648676 1349524657 /nfs/dbraw/zinc/52/46/57/1349524657.db2.gz PUCQRHDYPVGKHL-UHFFFAOYSA-N -1 1 329.335 2.421 20 0 EEADMM COc1ccccc1CCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001591648676 1349524662 /nfs/dbraw/zinc/52/46/62/1349524662.db2.gz PUCQRHDYPVGKHL-UHFFFAOYSA-N -1 1 329.335 2.421 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591683804 1349528901 /nfs/dbraw/zinc/52/89/01/1349528901.db2.gz ZVLUCEJDSSNGDV-QTYUKPITSA-N -1 1 340.840 2.017 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591683804 1349528906 /nfs/dbraw/zinc/52/89/06/1349528906.db2.gz ZVLUCEJDSSNGDV-QTYUKPITSA-N -1 1 340.840 2.017 20 0 EEADMM Cc1ccc2c(c1)O[C@@H](C)CN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001592204567 1349608591 /nfs/dbraw/zinc/60/85/91/1349608591.db2.gz AIBSJTMYFYPXNH-JTQLQIEISA-N -1 1 328.401 2.419 20 0 EEADMM Cc1ccc2c(c1)O[C@@H](C)CN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001592204567 1349608596 /nfs/dbraw/zinc/60/85/96/1349608596.db2.gz AIBSJTMYFYPXNH-JTQLQIEISA-N -1 1 328.401 2.419 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccc(-c4nnn[n-]4)o3)c[nH]c2c1 ZINC001592204069 1349609559 /nfs/dbraw/zinc/60/95/59/1349609559.db2.gz HLCCASOXFXEYKJ-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccc(-c4nn[n-]n4)o3)c[nH]c2c1 ZINC001592204069 1349609564 /nfs/dbraw/zinc/60/95/64/1349609564.db2.gz HLCCASOXFXEYKJ-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1cnc(Cl)cc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592295446 1349617625 /nfs/dbraw/zinc/61/76/25/1349617625.db2.gz FKKUVTLJRCFNEC-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1Cl ZINC001592329760 1349621636 /nfs/dbraw/zinc/62/16/36/1349621636.db2.gz FVFMRAQNPIFCCH-UHFFFAOYSA-N -1 1 339.693 2.082 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1Cl ZINC001592329760 1349621642 /nfs/dbraw/zinc/62/16/42/1349621642.db2.gz FVFMRAQNPIFCCH-UHFFFAOYSA-N -1 1 339.693 2.082 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc3nccc(C)c3c2)c1-c1nn[n-]n1 ZINC001592332549 1349621659 /nfs/dbraw/zinc/62/16/59/1349621659.db2.gz JCNNKZTXWYGTNZ-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1nsc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001592479342 1349635893 /nfs/dbraw/zinc/63/58/93/1349635893.db2.gz MFNJOJLQQHXNCC-UHFFFAOYSA-N -1 1 348.775 2.106 20 0 EEADMM Cc1nsc(NC(=O)C(=O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001592479342 1349635895 /nfs/dbraw/zinc/63/58/95/1349635895.db2.gz MFNJOJLQQHXNCC-UHFFFAOYSA-N -1 1 348.775 2.106 20 0 EEADMM Cc1nsc(NC(=O)NCCCc2ccsc2)c1-c1nnn[n-]1 ZINC001592483660 1349636100 /nfs/dbraw/zinc/63/61/00/1349636100.db2.gz QODAIQPUZYDLRT-UHFFFAOYSA-N -1 1 349.445 2.447 20 0 EEADMM Cc1nsc(NC(=O)NCCCc2ccsc2)c1-c1nn[n-]n1 ZINC001592483660 1349636102 /nfs/dbraw/zinc/63/61/02/1349636102.db2.gz QODAIQPUZYDLRT-UHFFFAOYSA-N -1 1 349.445 2.447 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccc(N(C)C)cc1 ZINC001592496009 1349637162 /nfs/dbraw/zinc/63/71/62/1349637162.db2.gz SQUCUIIJMABKHC-UHFFFAOYSA-N -1 1 326.360 2.111 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccc(N(C)C)cc1 ZINC001592496009 1349637163 /nfs/dbraw/zinc/63/71/63/1349637163.db2.gz SQUCUIIJMABKHC-UHFFFAOYSA-N -1 1 326.360 2.111 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1ccccc1-n1cccn1 ZINC001592504849 1349643263 /nfs/dbraw/zinc/64/32/63/1349643263.db2.gz KASZBGODOLLTPH-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1ccccc1-n1cccn1 ZINC001592504849 1349643266 /nfs/dbraw/zinc/64/32/66/1349643266.db2.gz KASZBGODOLLTPH-UHFFFAOYSA-N -1 1 336.311 2.173 20 0 EEADMM Clc1ccc(NCc2cnn3ccccc23)nc1-c1nnn[n-]1 ZINC001592532291 1349649084 /nfs/dbraw/zinc/64/90/84/1349649084.db2.gz WZQDNTUOYDAADI-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1ccc(NCc2cnn3ccccc23)nc1-c1nn[n-]n1 ZINC001592532291 1349649086 /nfs/dbraw/zinc/64/90/86/1349649086.db2.gz WZQDNTUOYDAADI-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1sc(NC[C@@H]2C[C@@H]3CCC[C@H]3O2)nc1-c1nn[n-]n1 ZINC001592543085 1349655031 /nfs/dbraw/zinc/65/50/31/1349655031.db2.gz MORYSDNBUMXFIZ-BIIVOSGPSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1ccc2ccc(NCc3csc(-c4nn[n-]n4)c3)cc2c1=O ZINC001592582169 1349662160 /nfs/dbraw/zinc/66/21/60/1349662160.db2.gz UNXHWSJIGQVHEY-UHFFFAOYSA-N -1 1 338.396 2.392 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592617884 1349673432 /nfs/dbraw/zinc/67/34/32/1349673432.db2.gz HFZNWJVMIJJVKG-UHFFFAOYSA-N -1 1 336.277 2.194 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592617884 1349673436 /nfs/dbraw/zinc/67/34/36/1349673436.db2.gz HFZNWJVMIJJVKG-UHFFFAOYSA-N -1 1 336.277 2.194 20 0 EEADMM F[C@H]1COc2ccccc2[C@@H]1NCc1csc(-c2nn[n-]n2)c1 ZINC001592631929 1349682265 /nfs/dbraw/zinc/68/22/65/1349682265.db2.gz KTSMPLZMUBHCEY-FZMZJTMJSA-N -1 1 331.376 2.490 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)CCC2 ZINC001592641452 1349688971 /nfs/dbraw/zinc/68/89/71/1349688971.db2.gz JKZBXZBBVNSEPK-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)CCC2 ZINC001592641452 1349688980 /nfs/dbraw/zinc/68/89/80/1349688980.db2.gz JKZBXZBBVNSEPK-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1ccc(C(F)(F)CNc2nccnc2-c2nnn[n-]2)c(F)c1 ZINC001592646853 1349692496 /nfs/dbraw/zinc/69/24/96/1349692496.db2.gz XANHOZASTCYJHK-UHFFFAOYSA-N -1 1 339.256 2.139 20 0 EEADMM Fc1ccc(C(F)(F)CNc2nccnc2-c2nn[n-]n2)c(F)c1 ZINC001592646853 1349692499 /nfs/dbraw/zinc/69/24/99/1349692499.db2.gz XANHOZASTCYJHK-UHFFFAOYSA-N -1 1 339.256 2.139 20 0 EEADMM O=C(C=Cc1ccccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592798555 1349714341 /nfs/dbraw/zinc/71/43/41/1349714341.db2.gz AIFQRJJGHNRFKY-VMPITWQZSA-N -1 1 329.360 2.397 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(-c2nnn[n-]2)o1 ZINC001593005817 1349733883 /nfs/dbraw/zinc/73/38/83/1349733883.db2.gz VSRQMAOJBOSVAZ-NSHDSACASA-N -1 1 329.747 2.010 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593005817 1349733885 /nfs/dbraw/zinc/73/38/85/1349733885.db2.gz VSRQMAOJBOSVAZ-NSHDSACASA-N -1 1 329.747 2.010 20 0 EEADMM O=C([N-]Oc1cccc(-c2nn[nH]n2)c1)C(C1CCC1)C1CCC1 ZINC001593170052 1349743043 /nfs/dbraw/zinc/74/30/43/1349743043.db2.gz BQKFFQNNDXRIBJ-UHFFFAOYSA-N -1 1 327.388 2.493 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593212109 1349746986 /nfs/dbraw/zinc/74/69/86/1349746986.db2.gz HJVZLJGSAZGVPM-UHFFFAOYSA-N -1 1 333.691 2.094 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593243868 1349748168 /nfs/dbraw/zinc/74/81/68/1349748168.db2.gz JZFOEHOPVLIWRA-NWDGAFQWSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593243868 1349748172 /nfs/dbraw/zinc/74/81/72/1349748172.db2.gz JZFOEHOPVLIWRA-NWDGAFQWSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N(CC(F)F)CC1CCC1 ZINC001593253536 1349750389 /nfs/dbraw/zinc/75/03/89/1349750389.db2.gz AAAGSXQCKMGEHJ-UHFFFAOYSA-N -1 1 337.334 2.161 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N(CC(F)F)CC1CCC1 ZINC001593253536 1349750393 /nfs/dbraw/zinc/75/03/93/1349750393.db2.gz AAAGSXQCKMGEHJ-UHFFFAOYSA-N -1 1 337.334 2.161 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001593255090 1349751854 /nfs/dbraw/zinc/75/18/54/1349751854.db2.gz CGSSWTGVKZITSZ-QWHCGFSZSA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001593255090 1349751859 /nfs/dbraw/zinc/75/18/59/1349751859.db2.gz CGSSWTGVKZITSZ-QWHCGFSZSA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001593263912 1349755054 /nfs/dbraw/zinc/75/50/54/1349755054.db2.gz IEYHZNYHYOLFPU-LYFYHCNISA-N -1 1 339.812 2.287 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CC1(Cl)Cl ZINC001593263563 1349755135 /nfs/dbraw/zinc/75/51/35/1349755135.db2.gz URVONCFBLQCLSA-REOHCLBHSA-N -1 1 339.595 2.109 20 0 EEADMM O=C(Nc1ncn(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC001593267987 1349756142 /nfs/dbraw/zinc/75/61/42/1349756142.db2.gz NCPRICZMKZFQGO-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593291315 1349767808 /nfs/dbraw/zinc/76/78/08/1349767808.db2.gz JJALISAQESSXGS-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)no1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593291315 1349767815 /nfs/dbraw/zinc/76/78/15/1349767815.db2.gz JJALISAQESSXGS-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nn[nH]n2)o1 ZINC001593446096 1349800964 /nfs/dbraw/zinc/80/09/64/1349800964.db2.gz YXISFDLRSDAQSM-UHFFFAOYSA-N -1 1 347.381 2.475 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CCc1cccs1 ZINC001593493023 1349818029 /nfs/dbraw/zinc/81/80/29/1349818029.db2.gz UMCZZOYENDTVTE-UHFFFAOYSA-N -1 1 341.318 2.351 20 0 EEADMM O[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001593506184 1349823640 /nfs/dbraw/zinc/82/36/40/1349823640.db2.gz GJQGJRMMGIKREG-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001593506184 1349823643 /nfs/dbraw/zinc/82/36/43/1349823643.db2.gz GJQGJRMMGIKREG-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccsc1 ZINC001593508230 1349824983 /nfs/dbraw/zinc/82/49/83/1349824983.db2.gz ZPPMKHVUOVAOOZ-ZCFIWIBFSA-N -1 1 328.810 2.184 20 0 EEADMM O[C@H](COc1ccc(F)nc1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC001593508708 1349825233 /nfs/dbraw/zinc/82/52/33/1349825233.db2.gz WXZHLZOVMULNKA-NSHDSACASA-N -1 1 349.753 2.037 20 0 EEADMM OC1(C[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001593511388 1349826063 /nfs/dbraw/zinc/82/60/63/1349826063.db2.gz WWJQQDQYEQQNFV-CYBMUJFWSA-N -1 1 343.435 2.101 20 0 EEADMM OC1(C[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001593511388 1349826069 /nfs/dbraw/zinc/82/60/69/1349826069.db2.gz WWJQQDQYEQQNFV-CYBMUJFWSA-N -1 1 343.435 2.101 20 0 EEADMM OCC[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001593530267 1349832824 /nfs/dbraw/zinc/83/28/24/1349832824.db2.gz YPDABWHKSLNWEX-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM OCC[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001593530267 1349832827 /nfs/dbraw/zinc/83/28/27/1349832827.db2.gz YPDABWHKSLNWEX-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM c1cc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001593560123 1349849500 /nfs/dbraw/zinc/84/95/00/1349849500.db2.gz XQDGMBQSEXVKET-HNNXBMFYSA-N -1 1 349.398 2.192 20 0 EEADMM c1cc(N2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc(-c2nn[n-]n2)n1 ZINC001593560123 1349849504 /nfs/dbraw/zinc/84/95/04/1349849504.db2.gz XQDGMBQSEXVKET-HNNXBMFYSA-N -1 1 349.398 2.192 20 0 EEADMM c1nn(-c2ccccc2)c2c1CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001593570216 1349855825 /nfs/dbraw/zinc/85/58/25/1349855825.db2.gz VXFKQFMLJXPAES-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1nn(-c2ccccc2)c2c1CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001593570216 1349855829 /nfs/dbraw/zinc/85/58/29/1349855829.db2.gz VXFKQFMLJXPAES-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1ccc2c(c1)O[C@@H](CCNc1cc(-c3nnn[n-]3)ncn1)CS2 ZINC001593579946 1349860444 /nfs/dbraw/zinc/86/04/44/1349860444.db2.gz QAOBMCQQXVOOFZ-JTQLQIEISA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)O[C@@H](CCNc1cc(-c3nn[n-]n3)ncn1)CS2 ZINC001593579946 1349860451 /nfs/dbraw/zinc/86/04/51/1349860451.db2.gz QAOBMCQQXVOOFZ-JTQLQIEISA-N -1 1 341.400 2.012 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(SCc2ccc3c(c2)OCCO3)c1 ZINC001593583603 1349864760 /nfs/dbraw/zinc/86/47/60/1349864760.db2.gz ARQSZXUSGYFIDH-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(SCc2ccc3c(c2)OCCO3)c1 ZINC001593583603 1349864762 /nfs/dbraw/zinc/86/47/62/1349864762.db2.gz ARQSZXUSGYFIDH-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001594806252 1349877789 /nfs/dbraw/zinc/87/77/89/1349877789.db2.gz BBELPXHPZOQZJB-MISXGVKJSA-N -1 1 329.356 2.464 20 0 EEADMM Cc1cc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc(C)c1O ZINC001600191330 1349988762 /nfs/dbraw/zinc/98/87/62/1349988762.db2.gz GJNVYYVWJIVAFK-FVRSWCFKSA-N -1 1 333.384 2.006 20 0 EEADMM Cc1ccc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)c(C)c1Br ZINC001600413115 1350044735 /nfs/dbraw/zinc/04/47/35/1350044735.db2.gz PNFCMTCFADXMJE-STQMWFEESA-N -1 1 342.233 2.333 20 0 EEADMM Cc1ccc([C@H]2CC(=O)N(CN3CCC4(C[C@H]4C(=O)[O-])CC3)C2)cc1 ZINC001600398303 1350040435 /nfs/dbraw/zinc/04/04/35/1350040435.db2.gz QUWROZOMJDLGMZ-IRXDYDNUSA-N -1 1 342.439 2.455 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1Cl ZINC001600550548 1350080104 /nfs/dbraw/zinc/08/01/04/1350080104.db2.gz SORGBQGAXGEESZ-UHFFFAOYSA-N -1 1 328.777 2.486 20 0 EEADMM Cc1ccccc1[C@@H](C)NCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001600587836 1350091003 /nfs/dbraw/zinc/09/10/03/1350091003.db2.gz ZGJBUZAPYWIYFK-LLVKDONJSA-N -1 1 333.413 2.368 20 0 EEADMM Cn1c2ccccc2nc1[C@H](NC[C@](C)(O)C(=O)[O-])c1ccccc1 ZINC001600908098 1350165371 /nfs/dbraw/zinc/16/53/71/1350165371.db2.gz LOGLTAXCBJVXFO-APWZRJJASA-N -1 1 339.395 2.088 20 0 EEADMM Cn1c(CNCc2c(F)cccc2-n2cccn2)ccc1C(=O)[O-] ZINC001600915806 1350167232 /nfs/dbraw/zinc/16/72/32/1350167232.db2.gz IRURJPQZZDQCKG-UHFFFAOYSA-N -1 1 328.347 2.338 20 0 EEADMM Cn1ncc(C(F)(F)F)c1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001601025400 1350192702 /nfs/dbraw/zinc/19/27/02/1350192702.db2.gz HWGGPOQHOACPSV-LBPRGKRZSA-N -1 1 331.269 2.494 20 0 EEADMM NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601139392 1350219380 /nfs/dbraw/zinc/21/93/80/1350219380.db2.gz KRCYBOMZLBTJNH-JSGCOSHPSA-N -1 1 345.424 2.247 20 0 EEADMM O=C([O-])c1cc(CN2CCC(NC(=O)CC3CCCC3)CC2)c[nH]1 ZINC001601253134 1350241972 /nfs/dbraw/zinc/24/19/72/1350241972.db2.gz QRQOBECKBAIYCT-UHFFFAOYSA-N -1 1 333.432 2.374 20 0 EEADMM 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/nfs/dbraw/zinc/96/63/72/1350966372.db2.gz ZWAXOSLJTVEBFP-SMDDNHRTSA-N -1 1 348.296 2.094 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(NCc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001604632265 1350973487 /nfs/dbraw/zinc/97/34/87/1350973487.db2.gz VJNKHKVSMBKQPN-UHFFFAOYSA-N -1 1 349.398 2.247 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(NCc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001604632265 1350973488 /nfs/dbraw/zinc/97/34/88/1350973488.db2.gz VJNKHKVSMBKQPN-UHFFFAOYSA-N -1 1 349.398 2.247 20 0 EEADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001604636526 1350974572 /nfs/dbraw/zinc/97/45/72/1350974572.db2.gz MZGUQSLBZDGGMU-SKDRFNHKSA-N -1 1 338.770 2.355 20 0 EEADMM COCc1ccc([C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)c2)o1 ZINC001605131823 1351083906 /nfs/dbraw/zinc/08/39/06/1351083906.db2.gz ACMRARMOFGELAB-AWEZNQCLSA-N -1 1 326.360 2.343 20 0 EEADMM COCc1ccc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)c2)o1 ZINC001605131823 1351083910 /nfs/dbraw/zinc/08/39/10/1351083910.db2.gz ACMRARMOFGELAB-AWEZNQCLSA-N -1 1 326.360 2.343 20 0 EEADMM COc1nccc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC001605349644 1351142749 /nfs/dbraw/zinc/14/27/49/1351142749.db2.gz WXVLJHZYIWGLOV-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1nccc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC001605349644 1351142751 /nfs/dbraw/zinc/14/27/51/1351142751.db2.gz WXVLJHZYIWGLOV-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nn1C ZINC001605464287 1351163379 /nfs/dbraw/zinc/16/33/79/1351163379.db2.gz DVMCIMLXYRPNIR-RWMBFGLXSA-N -1 1 343.435 2.454 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nn1C ZINC001605464287 1351163381 /nfs/dbraw/zinc/16/33/81/1351163381.db2.gz DVMCIMLXYRPNIR-RWMBFGLXSA-N -1 1 343.435 2.454 20 0 EEADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(C(=O)[O-])oc1CC ZINC001605536075 1351183671 /nfs/dbraw/zinc/18/36/71/1351183671.db2.gz WNRSSRALNGECFN-OLZOCXBDSA-N -1 1 339.388 2.083 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC001605568932 1351191539 /nfs/dbraw/zinc/19/15/39/1351191539.db2.gz XEOZAQMBMIFQLQ-GJZGRUSLSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC001605568932 1351191543 /nfs/dbraw/zinc/19/15/43/1351191543.db2.gz XEOZAQMBMIFQLQ-GJZGRUSLSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1cc(C)cc(CN(C)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001605646415 1351209691 /nfs/dbraw/zinc/20/96/91/1351209691.db2.gz NWSMLRJKNBRFCM-UHFFFAOYSA-N -1 1 338.415 2.043 20 0 EEADMM Cc1ccc(C)c(OCCn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001605832874 1351231420 /nfs/dbraw/zinc/23/14/20/1351231420.db2.gz IBXUENZNUPRSLQ-UHFFFAOYSA-N -1 1 325.372 2.033 20 0 EEADMM Cc1ccc(N2CC[C@@H](Cc3nccs3)C2)nc1-c1nnn[n-]1 ZINC001605864591 1351240361 /nfs/dbraw/zinc/24/03/61/1351240361.db2.gz IYZLRRKQSZNTDQ-NSHDSACASA-N -1 1 327.417 2.096 20 0 EEADMM Cc1ccc(N2CC[C@@H](Cc3nccs3)C2)nc1-c1nn[n-]n1 ZINC001605864591 1351240364 /nfs/dbraw/zinc/24/03/64/1351240364.db2.gz IYZLRRKQSZNTDQ-NSHDSACASA-N -1 1 327.417 2.096 20 0 EEADMM Cc1ccc(NCCOc2ncccc2Cl)nc1-c1nn[n-]n1 ZINC001605874229 1351243548 /nfs/dbraw/zinc/24/35/48/1351243548.db2.gz KTIOAWNNHUDWRN-UHFFFAOYSA-N -1 1 331.767 2.109 20 0 EEADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1C(F)(F)F ZINC001605904336 1351250626 /nfs/dbraw/zinc/25/06/26/1351250626.db2.gz UKRUNMNVKPWPET-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1C(F)(F)F ZINC001605904336 1351250628 /nfs/dbraw/zinc/25/06/28/1351250628.db2.gz UKRUNMNVKPWPET-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001605923490 1351255182 /nfs/dbraw/zinc/25/51/82/1351255182.db2.gz MDYIENPVLQELBH-UHFFFAOYSA-N -1 1 340.748 2.189 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1cccnc1-c1nnn[n-]1 ZINC001606083100 1351268485 /nfs/dbraw/zinc/26/84/85/1351268485.db2.gz MNPDPPAVVMHHQR-UHFFFAOYSA-N -1 1 334.387 2.422 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1cccnc1-c1nn[n-]n1 ZINC001606083100 1351268495 /nfs/dbraw/zinc/26/84/95/1351268495.db2.gz MNPDPPAVVMHHQR-UHFFFAOYSA-N -1 1 334.387 2.422 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606129189 1351275994 /nfs/dbraw/zinc/27/59/94/1351275994.db2.gz GPUYVQLMQIBBDI-MRVPVSSYSA-N -1 1 344.350 2.144 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606129189 1351275997 /nfs/dbraw/zinc/27/59/97/1351275997.db2.gz GPUYVQLMQIBBDI-MRVPVSSYSA-N -1 1 344.350 2.144 20 0 EEADMM Cc1nsc(N[C@H]2COc3cc(F)ccc3C2)c1-c1nn[n-]n1 ZINC001606155931 1351279084 /nfs/dbraw/zinc/27/90/84/1351279084.db2.gz LJXVHMGLMVLUHM-SNVBAGLBSA-N -1 1 332.364 2.186 20 0 EEADMM Clc1cc(COc2cccnc2-c2nnn[n-]2)cc2c1OCCO2 ZINC001606188447 1351284221 /nfs/dbraw/zinc/28/42/21/1351284221.db2.gz POMQEWKEABJGLE-UHFFFAOYSA-N -1 1 345.746 2.265 20 0 EEADMM Clc1cc(COc2cccnc2-c2nn[n-]n2)cc2c1OCCO2 ZINC001606188447 1351284226 /nfs/dbraw/zinc/28/42/26/1351284226.db2.gz POMQEWKEABJGLE-UHFFFAOYSA-N -1 1 345.746 2.265 20 0 EEADMM FC(F)(F)c1sccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001606297027 1351290042 /nfs/dbraw/zinc/29/00/42/1351290042.db2.gz RXFTULUWPXIOQQ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1sccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001606297027 1351290043 /nfs/dbraw/zinc/29/00/43/1351290043.db2.gz RXFTULUWPXIOQQ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM COC(=O)c1cccc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001606614372 1351332158 /nfs/dbraw/zinc/33/21/58/1351332158.db2.gz PZAQGVLUUUMZAF-MRXNPFEDSA-N -1 1 348.399 2.035 20 0 EEADMM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC001606704359 1351344803 /nfs/dbraw/zinc/34/48/03/1351344803.db2.gz WWQSAYKFBATZQS-UGSOOPFHSA-N -1 1 334.416 2.313 20 0 EEADMM O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606794127 1351357419 /nfs/dbraw/zinc/35/74/19/1351357419.db2.gz ACQJJIFZICQCFP-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606794127 1351357423 /nfs/dbraw/zinc/35/74/23/1351357423.db2.gz ACQJJIFZICQCFP-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001606830689 1351363202 /nfs/dbraw/zinc/36/32/02/1351363202.db2.gz ABICNRCYKGLFIZ-MLGOLLRUSA-N -1 1 343.387 2.429 20 0 EEADMM O=C(NCc1nc2ccccc2o1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606847054 1351366519 /nfs/dbraw/zinc/36/65/19/1351366519.db2.gz GRFABTSFLRQKFE-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1nc2ccccc2o1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606847054 1351366525 /nfs/dbraw/zinc/36/65/25/1351366525.db2.gz GRFABTSFLRQKFE-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1csc(C2CCCCC2)n1 ZINC001606893364 1351371039 /nfs/dbraw/zinc/37/10/39/1351371039.db2.gz NNXGUDXFSJDSJO-UHFFFAOYSA-N -1 1 344.404 2.346 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1csc(C2CCCCC2)n1 ZINC001606893364 1351371042 /nfs/dbraw/zinc/37/10/42/1351371042.db2.gz NNXGUDXFSJDSJO-UHFFFAOYSA-N -1 1 344.404 2.346 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1coc(C(F)F)c1 ZINC001606892644 1351371085 /nfs/dbraw/zinc/37/10/85/1351371085.db2.gz SFPYNBHAKYDGRY-UHFFFAOYSA-N -1 1 335.274 2.250 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1ccsc1-c1nnn[n-]1 ZINC001606967787 1351386977 /nfs/dbraw/zinc/38/69/77/1351386977.db2.gz QBZSNVKYXISMNZ-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1ccsc1-c1nn[n-]n1 ZINC001606967787 1351386982 /nfs/dbraw/zinc/38/69/82/1351386982.db2.gz QBZSNVKYXISMNZ-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1ccccc1-c1nn[nH]n1 ZINC001607058193 1351405516 /nfs/dbraw/zinc/40/55/16/1351405516.db2.gz UBIYUVLVFQKHFV-MDZDMXLPSA-N -1 1 345.359 2.418 20 0 EEADMM O=S(=O)(Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC001607068795 1351406281 /nfs/dbraw/zinc/40/62/81/1351406281.db2.gz YDKPBYVDFBMOFY-UHFFFAOYSA-N -1 1 343.340 2.007 20 0 EEADMM O=S(=O)(Nc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC001607068795 1351406282 /nfs/dbraw/zinc/40/62/82/1351406282.db2.gz YDKPBYVDFBMOFY-UHFFFAOYSA-N -1 1 343.340 2.007 20 0 EEADMM OCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001607107697 1351421166 /nfs/dbraw/zinc/42/11/66/1351421166.db2.gz XADIGAQGPZVKOT-GFCCVEGCSA-N -1 1 330.779 2.451 20 0 EEADMM OCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001607107697 1351421169 /nfs/dbraw/zinc/42/11/69/1351421169.db2.gz XADIGAQGPZVKOT-GFCCVEGCSA-N -1 1 330.779 2.451 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607130042 1351432292 /nfs/dbraw/zinc/43/22/92/1351432292.db2.gz ZWKKJGHZCYEERS-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607130042 1351432293 /nfs/dbraw/zinc/43/22/93/1351432293.db2.gz ZWKKJGHZCYEERS-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM COc1ccc(/C(C)=C\C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001607220024 1351451825 /nfs/dbraw/zinc/45/18/25/1351451825.db2.gz HAEYAXCSJUBLBU-IKESIWSLSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc([C@H](N[C@@H](C)c2cnc(C)nc2C)C(=O)[O-])cc1O ZINC001607230903 1351454417 /nfs/dbraw/zinc/45/44/17/1351454417.db2.gz GIOSOXZABWLADH-QFYYESIMSA-N -1 1 331.372 2.284 20 0 EEADMM COc1cccc(C[C@@H](N)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001607318482 1351472648 /nfs/dbraw/zinc/47/26/48/1351472648.db2.gz JSNLMYSPFQWHAQ-MRXNPFEDSA-N -1 1 328.368 2.210 20 0 EEADMM C[C@H]1CC[C@H](O)CN1Cc1cc(C(=O)[O-])ccc1Br ZINC001607466982 1351498393 /nfs/dbraw/zinc/49/83/93/1351498393.db2.gz PNGNVAHWFSPVJL-CABZTGNLSA-N -1 1 328.206 2.493 20 0 EEADMM Cc1c(NC(=O)Nc2c[nH]nn2)ccc(Br)c1C(=O)[O-] ZINC001607547359 1351513969 /nfs/dbraw/zinc/51/39/69/1351513969.db2.gz ONWBHPFSRUJHMA-UHFFFAOYSA-N -1 1 340.137 2.218 20 0 EEADMM Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC001607634161 1351529522 /nfs/dbraw/zinc/52/95/22/1351529522.db2.gz KQQREFQHZZSRKH-UHFFFAOYSA-N -1 1 347.396 2.470 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)n[nH]1 ZINC001607637574 1351530675 /nfs/dbraw/zinc/53/06/75/1351530675.db2.gz IQKLZZFZMLKTNE-LLVKDONJSA-N -1 1 342.399 2.115 20 0 EEADMM Cc1ccsc1[C@H](CO)NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001607901696 1351582697 /nfs/dbraw/zinc/58/26/97/1351582697.db2.gz HEEMEISYGARAFW-ZDUSSCGKSA-N -1 1 334.397 2.016 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3occc(=O)c3c2)c(=O)[n-]1 ZINC001607938692 1351589940 /nfs/dbraw/zinc/58/99/40/1351589940.db2.gz PPCFNGQZSKCZKA-UHFFFAOYSA-N -1 1 329.337 2.263 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H](C3CCOCC3)C2)cc1 ZINC001608332205 1351672993 /nfs/dbraw/zinc/67/29/93/1351672993.db2.gz CNPJOPSIDJANQN-INIZCTEOSA-N -1 1 346.427 2.462 20 0 EEADMM CCC(CC)(NC(=O)c1cn(-c2ccccc2)nc1C)c1nn[n-]n1 ZINC001626904317 1352476753 /nfs/dbraw/zinc/47/67/53/1352476753.db2.gz ILWRVWMIWBGVOO-UHFFFAOYSA-N -1 1 339.403 2.139 20 0 EEADMM O=C(CNC(=O)c1ncc2ccccc2c1[O-])N1CCc2ccccc21 ZINC001627491941 1352498984 /nfs/dbraw/zinc/49/89/84/1352498984.db2.gz BLPJROLFVUGPPG-UHFFFAOYSA-N -1 1 347.374 2.260 20 0 EEADMM CCc1ncc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)s1 ZINC001628144781 1352523006 /nfs/dbraw/zinc/52/30/06/1352523006.db2.gz GVRMDSFWUGFUGO-UHFFFAOYSA-N -1 1 330.373 2.050 20 0 EEADMM CCn1cc(Cl)cc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001642562115 1352733976 /nfs/dbraw/zinc/73/39/76/1352733976.db2.gz KYWAFLYABGKUFT-ZDUSSCGKSA-N -1 1 330.779 2.194 20 0 EEADMM CCCN(CCN1CCCC1=O)Cc1nc(=O)c2sccc2[n-]1 ZINC001645623037 1352792804 /nfs/dbraw/zinc/79/28/04/1352792804.db2.gz WXSNFVDGMREXNT-UHFFFAOYSA-N -1 1 334.445 2.231 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)[nH]c2c1 ZINC001646722393 1352945594 /nfs/dbraw/zinc/94/55/94/1352945594.db2.gz NOEBZMIFAKHNFS-NEPJUHHUSA-N -1 1 330.388 2.266 20 0 EEADMM CCn1nc(C)c(CNC2CCN(c3ccc(C(=O)[O-])cc3)CC2)n1 ZINC001647413452 1353268549 /nfs/dbraw/zinc/26/85/49/1353268549.db2.gz VWFORCOGHZKHCG-UHFFFAOYSA-N -1 1 343.431 2.063 20 0 EEADMM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001649989967 1353677869 /nfs/dbraw/zinc/67/78/69/1353677869.db2.gz VMRNVHVGXDYAAV-QGZVFWFLSA-N -1 1 348.424 2.147 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1OC ZINC001650148370 1353744833 /nfs/dbraw/zinc/74/48/33/1353744833.db2.gz WEHXGCGBPQQSRI-UHFFFAOYSA-N -1 1 339.335 2.467 20 0 EEADMM CC(C)C(=O)N1CCC(CCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001388849502 1387749958 /nfs/dbraw/zinc/74/99/58/1387749958.db2.gz FYNAWUALFQSJJB-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM COC1(CCOC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCC1 ZINC000815202786 1367831612 /nfs/dbraw/zinc/83/16/12/1367831612.db2.gz POGOJNZQGPQINQ-UHFFFAOYSA-N -1 1 347.415 2.487 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001185555616 1368159160 /nfs/dbraw/zinc/15/91/60/1368159160.db2.gz CYJOYEOIIAHOPZ-UHFFFAOYSA-N -1 1 329.385 2.230 20 0 EEADMM COc1ccccc1C1(CNC(=O)c2ccncc2[O-])CCOCC1 ZINC001188637733 1368309833 /nfs/dbraw/zinc/30/98/33/1368309833.db2.gz GVSHQBPGERPCIA-UHFFFAOYSA-N -1 1 342.395 2.274 20 0 EEADMM O=S(=O)(CC1CC1)[N-]c1cc(Br)cn2ccnc12 ZINC001188931150 1368330843 /nfs/dbraw/zinc/33/08/43/1368330843.db2.gz ZZMCWLDTANERAY-UHFFFAOYSA-N -1 1 330.207 2.249 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2c(C)cnc3cc(C)nn32)c(OC)c1 ZINC001190110437 1368394935 /nfs/dbraw/zinc/39/49/35/1368394935.db2.gz PIFKVTSSPQTRHY-UHFFFAOYSA-N -1 1 342.355 2.321 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cc(Cl)ncc2CO)c(OC)c1 ZINC001190110355 1368395021 /nfs/dbraw/zinc/39/50/21/1368395021.db2.gz NSVXDSWANKOMPG-UHFFFAOYSA-N -1 1 338.747 2.202 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3sccc3C(F)(F)F)c1-2 ZINC001195206502 1368510096 /nfs/dbraw/zinc/51/00/96/1368510096.db2.gz WDVAARWHGZJPOI-UHFFFAOYSA-N -1 1 327.291 2.367 20 0 EEADMM O=C(COC(=O)COc1cccc(Cl)c1)[N-]C(=O)c1ccccc1 ZINC000005802216 1368885778 /nfs/dbraw/zinc/88/57/78/1368885778.db2.gz JYZSFZUIJFVRQV-UHFFFAOYSA-N -1 1 347.754 2.219 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2cnsc2)o1 ZINC000861206028 1369489869 /nfs/dbraw/zinc/48/98/69/1369489869.db2.gz OXQLALPEQFRCEY-UHFFFAOYSA-N -1 1 344.414 2.170 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)CCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001074902227 1370958305 /nfs/dbraw/zinc/95/83/05/1370958305.db2.gz JZKFBZHSPYVQAN-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM 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EEADMM CCC(=O)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1F ZINC001576484632 1403578226 /nfs/dbraw/zinc/57/82/26/1403578226.db2.gz NNYBGSLGFHFCFI-UHFFFAOYSA-N -1 1 340.318 2.246 20 0 EEADMM CCC(=O)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1F ZINC001576484632 1403578227 /nfs/dbraw/zinc/57/82/27/1403578227.db2.gz NNYBGSLGFHFCFI-UHFFFAOYSA-N -1 1 340.318 2.246 20 0 EEADMM CCOC(=O)c1cnc(Sc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001578254281 1403728095 /nfs/dbraw/zinc/72/80/95/1403728095.db2.gz HRTAJTOLBLKBQE-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591334703 1403905949 /nfs/dbraw/zinc/90/59/49/1403905949.db2.gz AQZOKUDSBUAFNN-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591334703 1403905953 /nfs/dbraw/zinc/90/59/53/1403905953.db2.gz AQZOKUDSBUAFNN-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM COCCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@H]1CC[C@@H](C)C1 ZINC001591419982 1403912133 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/nfs/dbraw/zinc/99/20/04/577992004.db2.gz RDCQHRJUMVOHSY-UHFFFAOYSA-N -1 1 345.326 2.256 20 0 EEADMM Cc1cccc(C)c1OCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000738690416 578023933 /nfs/dbraw/zinc/02/39/33/578023933.db2.gz SPUORMWUQXSOLH-UHFFFAOYSA-N -1 1 348.443 2.176 20 0 EEADMM O=C([O-])NCc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000739987672 578076651 /nfs/dbraw/zinc/07/66/51/578076651.db2.gz DXKKPQKMEQJOCW-OAHLLOKOSA-N -1 1 332.404 2.156 20 0 EEADMM O=C([O-])c1cc(F)ccc1CN1CCC(Nc2cccnn2)CC1 ZINC000740077735 578079876 /nfs/dbraw/zinc/07/98/76/578079876.db2.gz HSLGMTJOUTWMTP-UHFFFAOYSA-N -1 1 330.363 2.390 20 0 EEADMM CC(C)[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1nnc2ccccn21 ZINC000735736243 578165120 /nfs/dbraw/zinc/16/51/20/578165120.db2.gz XCCZGDUHVWAORJ-INIZCTEOSA-N -1 1 348.414 2.396 20 0 EEADMM CC(C)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735928697 578174249 /nfs/dbraw/zinc/17/42/49/578174249.db2.gz QQHAUMMBLGHLPT-UHFFFAOYSA-N -1 1 345.384 2.153 20 0 EEADMM CC(C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735928697 578174250 /nfs/dbraw/zinc/17/42/50/578174250.db2.gz QQHAUMMBLGHLPT-UHFFFAOYSA-N -1 1 345.384 2.153 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000736139256 578182920 /nfs/dbraw/zinc/18/29/20/578182920.db2.gz UXOMKVHAOIZTOJ-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccc(OC(F)F)cc1 ZINC000736139256 578182921 /nfs/dbraw/zinc/18/29/21/578182921.db2.gz UXOMKVHAOIZTOJ-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@@H](C)[NH+]1CCOCC1 ZINC000736139736 578182934 /nfs/dbraw/zinc/18/29/34/578182934.db2.gz QUEZNRGMKZUWJX-GHMZBOCLSA-N -1 1 336.827 2.041 20 0 EEADMM CCC1CC[NH+]([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736408912 578201783 /nfs/dbraw/zinc/20/17/83/578201783.db2.gz LAAPXVGMPWNDOZ-HNNXBMFYSA-N -1 1 329.404 2.203 20 0 EEADMM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736635907 578215342 /nfs/dbraw/zinc/21/53/42/578215342.db2.gz FFUIAOGLNHVKBY-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736635907 578215343 /nfs/dbraw/zinc/21/53/43/578215343.db2.gz FFUIAOGLNHVKBY-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM C[C@@H]1CCCCN1CC(N)=NOCCOc1cccc(C(=O)[O-])c1 ZINC000736782183 578223294 /nfs/dbraw/zinc/22/32/94/578223294.db2.gz AVVXYLJCMUSIKH-CYBMUJFWSA-N -1 1 335.404 2.136 20 0 EEADMM CCOCCN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)C[C@@H]1CC ZINC000737176311 578242142 /nfs/dbraw/zinc/24/21/42/578242142.db2.gz KELZALKFQZLJCY-INIZCTEOSA-N -1 1 349.431 2.349 20 0 EEADMM Cn1nccc1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737628796 578267432 /nfs/dbraw/zinc/26/74/32/578267432.db2.gz RATHHMHAWNUUMR-UHFFFAOYSA-N -1 1 344.810 2.033 20 0 EEADMM Cn1nccc1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737628796 578267433 /nfs/dbraw/zinc/26/74/33/578267433.db2.gz RATHHMHAWNUUMR-UHFFFAOYSA-N -1 1 344.810 2.033 20 0 EEADMM c1ccc(COC[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000823788248 599063956 /nfs/dbraw/zinc/06/39/56/599063956.db2.gz WAHUGZKCVZFNGW-OAHLLOKOSA-N -1 1 336.399 2.305 20 0 EEADMM c1ccc(COC[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000823788248 599063959 /nfs/dbraw/zinc/06/39/59/599063959.db2.gz WAHUGZKCVZFNGW-OAHLLOKOSA-N -1 1 336.399 2.305 20 0 EEADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821620373 599115813 /nfs/dbraw/zinc/11/58/13/599115813.db2.gz HSPZSGSEMMSFKQ-ZDUSSCGKSA-N -1 1 330.735 2.309 20 0 EEADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821620373 599115814 /nfs/dbraw/zinc/11/58/14/599115814.db2.gz HSPZSGSEMMSFKQ-ZDUSSCGKSA-N -1 1 330.735 2.309 20 0 EEADMM O=C(NCc1ccn(C2CCCC2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261723 607266777 /nfs/dbraw/zinc/26/67/77/607266777.db2.gz RCCSDDQPEBASNN-UHFFFAOYSA-N -1 1 343.416 2.170 20 0 EEADMM O=C(NCc1ccn(C2CCCC2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261723 607266778 /nfs/dbraw/zinc/26/67/78/607266778.db2.gz RCCSDDQPEBASNN-UHFFFAOYSA-N -1 1 343.416 2.170 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C[C@H](c3cccc(F)c3)CC2=O)C1 ZINC000819380174 597048486 /nfs/dbraw/zinc/04/84/86/597048486.db2.gz JHHUABQWMPTBDV-UKRRQHHQSA-N -1 1 334.391 2.286 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(CN2C[C@H](Cc3ccccc3)OC2=O)C1 ZINC000821515092 597671650 /nfs/dbraw/zinc/67/16/50/597671650.db2.gz DKIVSJCISTVEPK-HOTGVXAUSA-N -1 1 332.400 2.194 20 0 EEADMM CC(=O)NCCN(Cc1cccc(Cl)c1Cl)[C@H](C)C(=O)[O-] ZINC000263451351 597704895 /nfs/dbraw/zinc/70/48/95/597704895.db2.gz ZUIKWLAOMYQPCZ-SECBINFHSA-N -1 1 333.215 2.405 20 0 EEADMM CCC(CC)n1nccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820903448 607319010 /nfs/dbraw/zinc/31/90/10/607319010.db2.gz URRTYOVHKJTLFC-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CCC(CC)n1nccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820903448 607319011 /nfs/dbraw/zinc/31/90/11/607319011.db2.gz URRTYOVHKJTLFC-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000821345482 598109965 /nfs/dbraw/zinc/10/99/65/598109965.db2.gz YUUIPSNOHYIACF-VMBOVVBDSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(C(=O)[O-])cc1 ZINC000820102014 598181357 /nfs/dbraw/zinc/18/13/57/598181357.db2.gz NGWGZNAFTRNFRJ-ZDUSSCGKSA-N -1 1 333.409 2.337 20 0 EEADMM CCc1ccc(-c2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)o2)cc1 ZINC000821477133 599315959 /nfs/dbraw/zinc/31/59/59/599315959.db2.gz ZYINUSULLBVUDB-UHFFFAOYSA-N -1 1 349.354 2.156 20 0 EEADMM Fc1cccc(Sc2nnnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000822792196 599327994 /nfs/dbraw/zinc/32/79/94/599327994.db2.gz QROIOJMZLPPFAT-UHFFFAOYSA-N -1 1 332.368 2.259 20 0 EEADMM Cn1cnc2cc(Nc3c4ccccc4nnc3-c3nnn[n-]3)ccc21 ZINC000822698729 599358904 /nfs/dbraw/zinc/35/89/04/599358904.db2.gz CKKOBCUJQTUCDU-UHFFFAOYSA-N -1 1 343.354 2.440 20 0 EEADMM Cn1cnc2cc(Nc3c4ccccc4nnc3-c3nn[n-]n3)ccc21 ZINC000822698729 599358907 /nfs/dbraw/zinc/35/89/07/599358907.db2.gz CKKOBCUJQTUCDU-UHFFFAOYSA-N -1 1 343.354 2.440 20 0 EEADMM CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821673508 599416323 /nfs/dbraw/zinc/41/63/23/599416323.db2.gz DIGJJDDHBPHOBE-JTQLQIEISA-N -1 1 342.359 2.045 20 0 EEADMM CO[C@@H](C)C(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821673508 599416325 /nfs/dbraw/zinc/41/63/25/599416325.db2.gz DIGJJDDHBPHOBE-JTQLQIEISA-N -1 1 342.359 2.045 20 0 EEADMM COc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1OC ZINC000821838524 599627190 /nfs/dbraw/zinc/62/71/90/599627190.db2.gz OLIJSARBHRUCQM-UHFFFAOYSA-N -1 1 332.341 2.165 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(-c2nnn[n-]2)s1 ZINC000823145031 607439690 /nfs/dbraw/zinc/43/96/90/607439690.db2.gz OOBBVUDSAFJUTI-BYCMXARLSA-N -1 1 337.408 2.386 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc(-c2nn[n-]n2)s1 ZINC000823145031 607439693 /nfs/dbraw/zinc/43/96/93/607439693.db2.gz OOBBVUDSAFJUTI-BYCMXARLSA-N -1 1 337.408 2.386 20 0 EEADMM COc1ccc2c(CN3CCSC[C@@H]3CC(=O)[O-])cc(=O)oc2c1 ZINC000832487317 601016633 /nfs/dbraw/zinc/01/66/33/601016633.db2.gz XRXAGEZEOLNRGO-LBPRGKRZSA-N -1 1 349.408 2.194 20 0 EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833006666 601102255 /nfs/dbraw/zinc/10/22/55/601102255.db2.gz RAFFZTQNPGWXNP-CYBMUJFWSA-N -1 1 341.411 2.164 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000827368340 601124155 /nfs/dbraw/zinc/12/41/55/601124155.db2.gz BRYPCZSFFWXCCR-CYBMUJFWSA-N -1 1 331.416 2.188 20 0 EEADMM CC[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829162667 601325341 /nfs/dbraw/zinc/32/53/41/601325341.db2.gz SMEKILUTWYXDFQ-HUUCEWRRSA-N -1 1 347.459 2.461 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000833313556 601360601 /nfs/dbraw/zinc/36/06/01/601360601.db2.gz ZBJACVCTQOTZAX-UHFFFAOYSA-N -1 1 342.399 2.240 20 0 EEADMM CCOC(=O)CC1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000829842918 601397144 /nfs/dbraw/zinc/39/71/44/601397144.db2.gz BOOBWADEPZXQLK-UHFFFAOYSA-N -1 1 345.399 2.357 20 0 EEADMM CC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000828672458 601480206 /nfs/dbraw/zinc/48/02/06/601480206.db2.gz SIMHJVHSNAVWOD-GFCCVEGCSA-N -1 1 325.308 2.026 20 0 EEADMM CCc1cc2c(C[N@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000830224785 601522948 /nfs/dbraw/zinc/52/29/48/601522948.db2.gz VTLPFVDHYYICHS-YGRLFVJLSA-N -1 1 331.368 2.214 20 0 EEADMM CCc1cc2c(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)cc(=O)oc2cc1[O-] ZINC000830224785 601522950 /nfs/dbraw/zinc/52/29/50/601522950.db2.gz VTLPFVDHYYICHS-YGRLFVJLSA-N -1 1 331.368 2.214 20 0 EEADMM C[C@@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000828462490 601820519 /nfs/dbraw/zinc/82/05/19/601820519.db2.gz KCBPYFBRXIHLRT-YPMHNXCESA-N -1 1 338.477 2.300 20 0 EEADMM O=C([O-])c1ccc(NC(=O)COc2ccccc2-c2nnc[nH]2)cc1 ZINC000833114729 601933918 /nfs/dbraw/zinc/93/39/18/601933918.db2.gz KPMXHEMOKJLWIU-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825058874 607649928 /nfs/dbraw/zinc/64/99/28/607649928.db2.gz AYWALTUIMIKDCN-ZJUUUORDSA-N -1 1 341.412 2.109 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000833771131 604762990 /nfs/dbraw/zinc/76/29/90/604762990.db2.gz WEHUIEYSSKHTEX-QGZVFWFLSA-N -1 1 336.407 2.083 20 0 EEADMM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000827915350 604767095 /nfs/dbraw/zinc/76/70/95/604767095.db2.gz NFPYJULZFFLYRI-MNOVXSKESA-N -1 1 345.424 2.262 20 0 EEADMM COc1cc2c(cc1OC)CN(C[C@H]1CC(C(=O)[O-])=C(C)O1)CC2 ZINC000833730332 604825101 /nfs/dbraw/zinc/82/51/01/604825101.db2.gz STQMELVXIUUNKE-CQSZACIVSA-N -1 1 333.384 2.209 20 0 EEADMM CC(C)c1nnc(CCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)o1 ZINC000833511692 604867028 /nfs/dbraw/zinc/86/70/28/604867028.db2.gz DOTIFDSGKDDABR-UHFFFAOYSA-N -1 1 343.343 2.339 20 0 EEADMM O=C([O-])c1cncc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000322462023 604889559 /nfs/dbraw/zinc/88/95/59/604889559.db2.gz HXMPRIIXQUOBRX-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@H]1CC(=O)[O-] ZINC000833746316 604970220 /nfs/dbraw/zinc/97/02/20/604970220.db2.gz YOLFAFYAMNCKBI-HNNXBMFYSA-N -1 1 345.443 2.473 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccccc1 ZINC000833410889 605054137 /nfs/dbraw/zinc/05/41/37/605054137.db2.gz IFFFKMXJNROYFU-DUVNUKRYSA-N -1 1 336.457 2.002 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccc(F)c1 ZINC000833514565 605098566 /nfs/dbraw/zinc/09/85/66/605098566.db2.gz ULPIXGMQUCAAMX-KGLIPLIRSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccccc1Cl ZINC000833621244 605107720 /nfs/dbraw/zinc/10/77/20/605107720.db2.gz MXMQVEFZJVGDFY-FWWRYZNZSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCN1CCC(=O)[O-] ZINC000833620233 605254146 /nfs/dbraw/zinc/25/41/46/605254146.db2.gz VXZVGXQOKBKQFK-OAHLLOKOSA-N -1 1 332.444 2.362 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833748216 605472360 /nfs/dbraw/zinc/47/23/60/605472360.db2.gz DNVOCFDKRDVWIY-HZPDHXFCSA-N -1 1 332.444 2.181 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820876032 606127193 /nfs/dbraw/zinc/12/71/93/606127193.db2.gz KJUFIMRIMKDLIQ-SNVBAGLBSA-N -1 1 341.375 2.030 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820876032 606127195 /nfs/dbraw/zinc/12/71/95/606127195.db2.gz KJUFIMRIMKDLIQ-SNVBAGLBSA-N -1 1 341.375 2.030 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000820919308 606172122 /nfs/dbraw/zinc/17/21/22/606172122.db2.gz BJHSGTXZPFNLSK-GFCCVEGCSA-N -1 1 332.412 2.081 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000820919308 606172124 /nfs/dbraw/zinc/17/21/24/606172124.db2.gz BJHSGTXZPFNLSK-GFCCVEGCSA-N -1 1 332.412 2.081 20 0 EEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)ccc1C ZINC000821703056 606237971 /nfs/dbraw/zinc/23/79/71/606237971.db2.gz MTRZAYYXUUFBIC-UHFFFAOYSA-N -1 1 344.400 2.225 20 0 EEADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)ccc1C ZINC000821703056 606237973 /nfs/dbraw/zinc/23/79/73/606237973.db2.gz MTRZAYYXUUFBIC-UHFFFAOYSA-N -1 1 344.400 2.225 20 0 EEADMM O=C(Oc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)s1 ZINC000823535826 606501016 /nfs/dbraw/zinc/50/10/16/606501016.db2.gz ITSHBMCHIFIPFP-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C(Oc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)s1 ZINC000823535826 606501018 /nfs/dbraw/zinc/50/10/18/606501018.db2.gz ITSHBMCHIFIPFP-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823074765 606531646 /nfs/dbraw/zinc/53/16/46/606531646.db2.gz VELDFEQHQHWPIU-UHFFFAOYSA-N -1 1 345.366 2.438 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823074765 606531648 /nfs/dbraw/zinc/53/16/48/606531648.db2.gz VELDFEQHQHWPIU-UHFFFAOYSA-N -1 1 345.366 2.438 20 0 EEADMM O=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823074362 606531707 /nfs/dbraw/zinc/53/17/07/606531707.db2.gz PZJNAHMRUUZXOY-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(Cc1c(Cl)cccc1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823074362 606531708 /nfs/dbraw/zinc/53/17/08/606531708.db2.gz PZJNAHMRUUZXOY-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM CCc1ccc([C@H](COC)NC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821482824 606572936 /nfs/dbraw/zinc/57/29/36/606572936.db2.gz VLBICPKBBMUBMO-JTQLQIEISA-N -1 1 347.400 2.201 20 0 EEADMM CCc1ccc([C@H](COC)NC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821482824 606572938 /nfs/dbraw/zinc/57/29/38/606572938.db2.gz VLBICPKBBMUBMO-JTQLQIEISA-N -1 1 347.400 2.201 20 0 EEADMM Cc1nc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2n1C ZINC000822459186 606577757 /nfs/dbraw/zinc/57/77/57/606577757.db2.gz OPGBTJSPHRFTTO-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2n1C ZINC000822459186 606577758 /nfs/dbraw/zinc/57/77/58/606577758.db2.gz OPGBTJSPHRFTTO-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3cccc(Cl)c3o2)n1 ZINC000822619646 606604368 /nfs/dbraw/zinc/60/43/68/606604368.db2.gz CNUMTWUSQXKVBD-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3cccc(Cl)c3o2)n1 ZINC000822619646 606604370 /nfs/dbraw/zinc/60/43/70/606604370.db2.gz CNUMTWUSQXKVBD-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM O=C(C=Cc1ccccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935247 606649744 /nfs/dbraw/zinc/64/97/44/606649744.db2.gz IOCROSMAEFBQCD-AATRIKPKSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(C=Cc1ccccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935247 606649745 /nfs/dbraw/zinc/64/97/45/606649745.db2.gz IOCROSMAEFBQCD-AATRIKPKSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(CCc1ccccc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983873 606651376 /nfs/dbraw/zinc/65/13/76/606651376.db2.gz VUGDGXSCAURYNH-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(CCc1ccccc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983873 606651377 /nfs/dbraw/zinc/65/13/77/606651377.db2.gz VUGDGXSCAURYNH-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082822 606653913 /nfs/dbraw/zinc/65/39/13/606653913.db2.gz RSRVRMIWTWSJOP-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082822 606653914 /nfs/dbraw/zinc/65/39/14/606653914.db2.gz RSRVRMIWTWSJOP-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1ccc(F)cc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823083162 606697312 /nfs/dbraw/zinc/69/73/12/606697312.db2.gz ZPDDZGVTDAURRO-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820231618 607045417 /nfs/dbraw/zinc/04/54/17/607045417.db2.gz CDIIMMCPIPBRBD-SCZZXKLOSA-N -1 1 334.767 2.432 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820231618 607045419 /nfs/dbraw/zinc/04/54/19/607045419.db2.gz CDIIMMCPIPBRBD-SCZZXKLOSA-N -1 1 334.767 2.432 20 0 EEADMM c1ccc(-c2nnc(CNc3cccc(-c4nnn[n-]4)n3)s2)cc1 ZINC000823767246 607118369 /nfs/dbraw/zinc/11/83/69/607118369.db2.gz QJOUMMHQYZDHEX-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1ccc(-c2nnc(CNc3cccc(-c4nn[n-]n4)n3)s2)cc1 ZINC000823767246 607118371 /nfs/dbraw/zinc/11/83/71/607118371.db2.gz QJOUMMHQYZDHEX-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM Cc1ccccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826307923 607867833 /nfs/dbraw/zinc/86/78/33/607867833.db2.gz BSDZDOVSTJMUSS-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826307923 607867834 /nfs/dbraw/zinc/86/78/34/607867834.db2.gz BSDZDOVSTJMUSS-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM C[C@H](OCCCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC000824727541 607988436 /nfs/dbraw/zinc/98/84/36/607988436.db2.gz BAAIBCLVPIKCKQ-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](OCCCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC000824727541 607988437 /nfs/dbraw/zinc/98/84/37/607988437.db2.gz BAAIBCLVPIKCKQ-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM O=C(CCOc1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826407840 607997515 /nfs/dbraw/zinc/99/75/15/607997515.db2.gz DDXJRTWRVSQZCM-UHFFFAOYSA-N -1 1 343.318 2.119 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc2ccccc21 ZINC000826451259 607999008 /nfs/dbraw/zinc/99/90/08/607999008.db2.gz XVILQYIQCOOGIE-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826321336 608171363 /nfs/dbraw/zinc/17/13/63/608171363.db2.gz BJZKXRYCHRKCKD-QMMMGPOBSA-N -1 1 341.375 2.045 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826507591 608176498 /nfs/dbraw/zinc/17/64/98/608176498.db2.gz RNENWZURGSEWPH-PSASIEDQSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826507591 608176501 /nfs/dbraw/zinc/17/65/01/608176501.db2.gz RNENWZURGSEWPH-PSASIEDQSA-N -1 1 334.792 2.047 20 0 EEADMM Clc1nsc(N2CCOC[C@@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826354222 608189245 /nfs/dbraw/zinc/18/92/45/608189245.db2.gz UBUZURQKFRGTRB-SSDOTTSWSA-N -1 1 338.780 2.148 20 0 EEADMM Clc1nsc(N2CCOC[C@@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826354222 608189246 /nfs/dbraw/zinc/18/92/46/608189246.db2.gz UBUZURQKFRGTRB-SSDOTTSWSA-N -1 1 338.780 2.148 20 0 EEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ncc(Cl)n1C ZINC000824731314 608333176 /nfs/dbraw/zinc/33/31/76/608333176.db2.gz UEUVUWZMBUIGRI-LURJTMIESA-N -1 1 338.780 2.233 20 0 EEADMM Fc1cccc2c1SCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377929 608394221 /nfs/dbraw/zinc/39/42/21/608394221.db2.gz MZFOBKIXWNFXLF-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc2c1SCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377929 608394223 /nfs/dbraw/zinc/39/42/23/608394223.db2.gz MZFOBKIXWNFXLF-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Cc1nc(SCc2ccc(-c3nn[nH]n3)cc2F)[n-]c(=O)c1C ZINC000826327722 609182456 /nfs/dbraw/zinc/18/24/56/609182456.db2.gz RUDFDBLAXODEAJ-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1=CCCC1 ZINC000826458410 609290035 /nfs/dbraw/zinc/29/00/35/609290035.db2.gz OMNBTLZPHLZDHP-UHFFFAOYSA-N -1 1 339.334 2.240 20 0 EEADMM Cc1nn(CCCc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335097 609487007 /nfs/dbraw/zinc/48/70/07/609487007.db2.gz YESJRNSONXCZRS-UHFFFAOYSA-N -1 1 344.806 2.326 20 0 EEADMM Cn1c(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)n[n-]c1=S ZINC000092604964 674884989 /nfs/dbraw/zinc/88/49/89/674884989.db2.gz JNOCXNQJXMWITH-UHFFFAOYSA-N -1 1 342.768 2.361 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cccc(Cl)n2)C1 ZINC000969547104 675096044 /nfs/dbraw/zinc/09/60/44/675096044.db2.gz YDDYXALEGVCRJH-LLVKDONJSA-N -1 1 346.818 2.086 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1)C1CCCCCC1 ZINC001021209714 675829108 /nfs/dbraw/zinc/82/91/08/675829108.db2.gz JEAOQRXIKFPPGE-GOOCMWNKSA-N -1 1 347.463 2.092 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCc2cccs2)cc1 ZINC000022315166 676377890 /nfs/dbraw/zinc/37/78/90/676377890.db2.gz BDYQYENTPHCLSK-UHFFFAOYSA-N -1 1 347.392 2.189 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000077400353 676626649 /nfs/dbraw/zinc/62/66/49/676626649.db2.gz JJLIHCJEHNKKGH-NWDGAFQWSA-N -1 1 325.821 2.216 20 0 EEADMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(OC)c1 ZINC000891632137 676736938 /nfs/dbraw/zinc/73/69/38/676736938.db2.gz RNYLGSMFPLHKSK-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM Cn1c(CNC(=O)c2c[nH]nc2-c2ccccc2Cl)n[n-]c1=S ZINC000087298321 676822363 /nfs/dbraw/zinc/82/23/63/676822363.db2.gz DHDYCVIEJCEFEL-UHFFFAOYSA-N -1 1 348.819 2.451 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1cc(F)ccc1OC ZINC000092102100 676895484 /nfs/dbraw/zinc/89/54/84/676895484.db2.gz YUMGIFIILFNWJJ-UHFFFAOYSA-N -1 1 339.396 2.472 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCCC2(O)CCC2)n1 ZINC000840553121 679070282 /nfs/dbraw/zinc/07/02/82/679070282.db2.gz ZWKGNWMGNCCEEN-UHFFFAOYSA-N -1 1 334.347 2.487 20 0 EEADMM O=C(NC[C@@H]1CCCCN1Cc1cncc(F)c1)c1ncccc1[O-] ZINC001024407635 679891806 /nfs/dbraw/zinc/89/18/06/679891806.db2.gz QEWBUTSNKVUZDD-HNNXBMFYSA-N -1 1 344.390 2.106 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccoc1C ZINC000984801289 685275977 /nfs/dbraw/zinc/27/59/77/685275977.db2.gz NHUMDJJWPZCVOM-UONOGXRCSA-N -1 1 343.383 2.112 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSC[C@H]2c2ccccc2)C1 ZINC000909404090 681267637 /nfs/dbraw/zinc/26/76/37/681267637.db2.gz YRMDOQPJQKTSKC-HOTGVXAUSA-N -1 1 348.468 2.100 20 0 EEADMM Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC001024937803 681613895 /nfs/dbraw/zinc/61/38/95/681613895.db2.gz AKWZWRCCIXWOAS-ZIAGYGMSSA-N -1 1 344.415 2.429 20 0 EEADMM CN(C(=O)[C@@H]1CCCC1(C)C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217581 681711417 /nfs/dbraw/zinc/71/14/17/681711417.db2.gz XDAFPOKKDRLVOD-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCCC1 ZINC000982669125 682006232 /nfs/dbraw/zinc/00/62/32/682006232.db2.gz AKUVFJQGMCINQG-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CCC1(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000983221639 682040080 /nfs/dbraw/zinc/04/00/80/682040080.db2.gz KMHDEHUTCSWTOV-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(Cc2cscn2)C1 ZINC001025394547 682666807 /nfs/dbraw/zinc/66/68/07/682666807.db2.gz RHSSVTAKGQCPCL-STQMWFEESA-N -1 1 346.456 2.274 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000983466673 682705078 /nfs/dbraw/zinc/70/50/78/682705078.db2.gz BQYIWDLFOVZFBA-CHWSQXEVSA-N -1 1 345.424 2.320 20 0 EEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H]1CCO[C@H]1C ZINC000092213205 682746926 /nfs/dbraw/zinc/74/69/26/682746926.db2.gz ITPOWTIRZCSYFE-WCQYABFASA-N -1 1 345.424 2.305 20 0 EEADMM CCCC(=O)N1CCC2(CC1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000936299241 683023816 /nfs/dbraw/zinc/02/38/16/683023816.db2.gz RNKQANFGPGIACF-UHFFFAOYSA-N -1 1 345.443 2.432 20 0 EEADMM CC[C@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Oc1cccc(C)c1 ZINC000909415312 683333446 /nfs/dbraw/zinc/33/34/46/683333446.db2.gz NXFOEKYYYDLQDQ-JKSUJKDBSA-N -1 1 348.443 2.065 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c(F)c1)c1ccco1 ZINC000914213984 683365243 /nfs/dbraw/zinc/36/52/43/683365243.db2.gz AITQAOKOODVZGD-GFCCVEGCSA-N -1 1 347.339 2.232 20 0 EEADMM CC1(C)CC[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978743832 693865682 /nfs/dbraw/zinc/86/56/82/693865682.db2.gz SGOFLIPEJXDFIY-MELADBBJSA-N -1 1 345.443 2.238 20 0 EEADMM CCc1ccc(N2C[C@H](C(=O)[N-]OCc3ccccn3)CC2=O)cc1 ZINC000909520846 684582118 /nfs/dbraw/zinc/58/21/18/684582118.db2.gz FBPWUCUVOYTMMF-OAHLLOKOSA-N -1 1 339.395 2.245 20 0 EEADMM CC(=O)NC[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000895944767 684783976 /nfs/dbraw/zinc/78/39/76/684783976.db2.gz RVJYBFHSYLTOLE-ZDUSSCGKSA-N -1 1 342.395 2.239 20 0 EEADMM CS(=O)(=O)c1cc(C(=O)Nc2nc(Cl)ccc2[O-])cs1 ZINC000194588500 684952498 /nfs/dbraw/zinc/95/24/98/684952498.db2.gz RPUILEJGVOEEEP-UHFFFAOYSA-N -1 1 332.790 2.158 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCC2(C1)OCCO2 ZINC000897084561 686096197 /nfs/dbraw/zinc/09/61/97/686096197.db2.gz HVFUXGQXLZTAOV-UHFFFAOYSA-N -1 1 329.352 2.230 20 0 EEADMM 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CCc1nn(C)cc1S(=O)(=O)[N-]c1c(Cl)cccc1OC ZINC000886419878 1202506248 /nfs/dbraw/zinc/50/62/48/1202506248.db2.gz OGXDXKPOAPSJST-UHFFFAOYSA-N -1 1 329.809 2.445 20 0 EEADMM CCC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(=O)OC ZINC000091136270 1204318419 /nfs/dbraw/zinc/31/84/19/1204318419.db2.gz DUQWXNHTSITIAJ-SNVBAGLBSA-N -1 1 330.178 2.226 20 0 EEADMM CCn1ccnc1CN1CCC12CN(Cc1c(F)cc([O-])cc1F)C2 ZINC001275125286 1205261833 /nfs/dbraw/zinc/26/18/33/1205261833.db2.gz NTGOWQFPRJGXPA-UHFFFAOYSA-N -1 1 348.397 2.347 20 0 EEADMM CN(CC(C)(C)CNC(=O)CC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001411452023 1205366961 /nfs/dbraw/zinc/36/69/61/1205366961.db2.gz WFHFNVCPQSDFGA-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1cc(C)cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001411531367 1205404429 /nfs/dbraw/zinc/40/44/29/1205404429.db2.gz KEWNPRYYTAPNHQ-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM O=C(c1cccc([O-])c1Cl)N1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001275650065 1205465892 /nfs/dbraw/zinc/46/58/92/1205465892.db2.gz CYOUJLDOWNYZSC-UHFFFAOYSA-N -1 1 331.803 2.474 20 0 EEADMM O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001411657893 1205475386 /nfs/dbraw/zinc/47/53/86/1205475386.db2.gz BMJVLKPEQIUXCR-UHFFFAOYSA-N -1 1 339.273 2.332 20 0 EEADMM CCC[C@@H](NC(=O)COc1cccc(OCC(C)C)c1)c1nn[n-]n1 ZINC001411859212 1205558965 /nfs/dbraw/zinc/55/89/65/1205558965.db2.gz SQAJNBBODOZTMO-OAHLLOKOSA-N -1 1 347.419 2.271 20 0 EEADMM COC(=O)c1csc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1C ZINC001411990189 1205617488 /nfs/dbraw/zinc/61/74/88/1205617488.db2.gz SBPKNLUPFHRPGN-UHFFFAOYSA-N -1 1 333.369 2.468 20 0 EEADMM CCNC(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC001412429313 1205722333 /nfs/dbraw/zinc/72/23/33/1205722333.db2.gz IRVNSKTVWVDQEZ-UHFFFAOYSA-N -1 1 340.383 2.370 20 0 EEADMM COC(=O)[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H]1C ZINC000926609411 1206230938 /nfs/dbraw/zinc/23/09/38/1206230938.db2.gz RZWHIJMZQUGXSA-MEBBXXQBSA-N -1 1 329.352 2.132 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCCC[C@@H]([C@@H]4CCOC4)C3)ccnc1-2 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345.443 2.478 20 0 EEADMM O=C(NC[C@@H]1CCN1C(=O)c1ncccc1[O-])C12CCC(CC1)CC2 ZINC000950273961 1210124203 /nfs/dbraw/zinc/12/42/03/1210124203.db2.gz MSEFFCWCFGZKEJ-BIWSTMPVSA-N -1 1 343.427 2.088 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000950543028 1210268157 /nfs/dbraw/zinc/26/81/57/1210268157.db2.gz PLDFDIULFGZWAR-QLFBSQMISA-N -1 1 345.443 2.190 20 0 EEADMM O=C(C[C@H]1C=CCCC1)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000951209251 1210678963 /nfs/dbraw/zinc/67/89/63/1210678963.db2.gz WHKDVAPASNFVLE-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM Nc1nc([O-])c(CC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000079898923 1210742429 /nfs/dbraw/zinc/74/24/29/1210742429.db2.gz FNZYUPHQVQHFNT-CABCVRRESA-N -1 1 343.452 2.402 20 0 EEADMM CCCCC[C@H]([N-]S(=O)(=O)Cc1ccccc1F)C(=O)OC ZINC000080279258 1210846567 /nfs/dbraw/zinc/84/65/67/1210846567.db2.gz AXVMNKMPFCKJRF-AWEZNQCLSA-N -1 1 331.409 2.367 20 0 EEADMM CC[C@@H]1CN(C(=O)Cc2sc(N)nc2[O-])CC[C@H]1c1ccccc1 ZINC000080450421 1210917084 /nfs/dbraw/zinc/91/70/84/1210917084.db2.gz KDOWPNAADNTTJI-BPLDGKMQSA-N -1 1 345.468 2.376 20 0 EEADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000952464687 1211435668 /nfs/dbraw/zinc/43/56/68/1211435668.db2.gz HQFFRZCOFRAIPX-HUUCEWRRSA-N -1 1 345.443 2.048 20 0 EEADMM CS/C=C/C(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000083607121 1211488997 /nfs/dbraw/zinc/48/89/97/1211488997.db2.gz FCUQFHPMYDOGSI-SNAWJCMRSA-N -1 1 333.182 2.226 20 0 EEADMM CC[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC000953888074 1212190279 /nfs/dbraw/zinc/19/02/79/1212190279.db2.gz JJJCAOZWTOUNOS-IFXJQAMLSA-N -1 1 345.443 2.286 20 0 EEADMM CC1=C(C)C[C@@H](C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC000954125309 1212474561 /nfs/dbraw/zinc/47/45/61/1212474561.db2.gz KFORZINDYRVZBV-AWEZNQCLSA-N -1 1 343.427 2.207 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954128186 1212477696 /nfs/dbraw/zinc/47/76/96/1212477696.db2.gz WBNTXCVQRUSWIE-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795304685 1212477732 /nfs/dbraw/zinc/47/77/32/1212477732.db2.gz DFYWXHWNTQOMCG-NSHDSACASA-N -1 1 346.836 2.467 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954676606 1212486722 /nfs/dbraw/zinc/48/67/22/1212486722.db2.gz GWDINNWNGIPYEY-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)C2=CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955655937 1213240297 /nfs/dbraw/zinc/24/02/97/1213240297.db2.gz UYNPKLFPCCXBKD-OCCSQVGLSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)C2=CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955655940 1213240426 /nfs/dbraw/zinc/24/04/26/1213240426.db2.gz UYNPKLFPCCXBKD-TZMCWYRMSA-N -1 1 329.400 2.007 20 0 EEADMM CC1(C)C(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])C1(C)C ZINC000955979204 1213447240 /nfs/dbraw/zinc/44/72/40/1213447240.db2.gz AEEMTLYIJPHNCW-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CCC1(C(=O)N2CCC(C)(NC(=O)c3ncccc3[O-])CC2)CCC1 ZINC000956347291 1213734921 /nfs/dbraw/zinc/73/49/21/1213734921.db2.gz CJLZRKOYZLWIIG-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](Cc2ccccc2F)C(C)=O)[n-]1 ZINC000796348328 1213866865 /nfs/dbraw/zinc/86/68/65/1213866865.db2.gz XWJFZIFJNQNBAL-OAHLLOKOSA-N -1 1 333.315 2.298 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000959071499 1214141372 /nfs/dbraw/zinc/14/13/72/1214141372.db2.gz QQBXBJFTEQBQJZ-JSGCOSHPSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@]1(NC(=O)[C@H]2CCCC23CC3)CCN(C(=O)c2ncccc2[O-])C1 ZINC000957161244 1214899383 /nfs/dbraw/zinc/89/93/83/1214899383.db2.gz HLNWTHAZMMMPLC-ACJLOTCBSA-N -1 1 343.427 2.088 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)c1c(F)cccc1F)c1cccc(F)c1F ZINC000305215429 1216157917 /nfs/dbraw/zinc/15/79/17/1216157917.db2.gz RUINCRGUJMPMSN-LLVKDONJSA-N -1 1 349.305 2.255 20 0 EEADMM CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000961092998 1217038144 /nfs/dbraw/zinc/03/81/44/1217038144.db2.gz MKRVJILTAGPNNZ-ZIAGYGMSSA-N -1 1 349.479 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COc1ccc(-n2cc([O-])c(C(=O)O[C@H](C)c3nnc(C)o3)n2)cc1 ZINC000801364998 1235460021 /nfs/dbraw/zinc/46/00/21/1235460021.db2.gz LMNOBUDPSZMRFH-SECBINFHSA-N -1 1 344.327 2.196 20 0 EEADMM Cc1noc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n1 ZINC000801373030 1235469397 /nfs/dbraw/zinc/46/93/97/1235469397.db2.gz AHGHBDYNDFZHSX-UHFFFAOYSA-N -1 1 334.719 2.280 20 0 EEADMM CCCNC(=O)[C@@H](C)OC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801417217 1235547522 /nfs/dbraw/zinc/54/75/22/1235547522.db2.gz FZGSKCIPASHLIW-CYBMUJFWSA-N -1 1 345.399 2.266 20 0 EEADMM COc1ccc(Br)c(CN[C@]2(CC(=O)[O-])CCOC2)c1 ZINC000901838314 1236423873 /nfs/dbraw/zinc/42/38/73/1236423873.db2.gz UHJMGHBUYGGFPE-AWEZNQCLSA-N -1 1 344.205 2.181 20 0 EEADMM COc1cc(C)c([C@H](C)NCc2cn(C)nc2C(=O)[O-])cc1OC ZINC000902253313 1237290825 /nfs/dbraw/zinc/29/08/25/1237290825.db2.gz WDAYINAJZQQLHL-NSHDSACASA-N -1 1 333.388 2.295 20 0 EEADMM O=C([O-])c1nn(-c2ccccc2)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000902553147 1237881157 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CCC(C)(CC)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052423713 1247250910 /nfs/dbraw/zinc/25/09/10/1247250910.db2.gz ZBNGMMIEHCQLAV-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)c1nsc(N2CCC(NC(=O)c3ncccc3[O-])CC2)n1 ZINC001057861525 1248011713 /nfs/dbraw/zinc/01/17/13/1248011713.db2.gz ATFLLHQGZHISEQ-UHFFFAOYSA-N -1 1 347.444 2.161 20 0 EEADMM C[C@@H]1C[C@H](CNc2cccc(F)n2)CN1C(=O)c1ncccc1[O-] ZINC001068322161 1250795196 /nfs/dbraw/zinc/79/51/96/1250795196.db2.gz SPATUDFGMHUGQR-VXGBXAGGSA-N -1 1 330.363 2.284 20 0 EEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000385956466 1251377844 /nfs/dbraw/zinc/37/78/44/1251377844.db2.gz FVTIRXNPBOZNHU-UHFFFAOYSA-N -1 1 344.751 2.462 20 0 EEADMM Cc1nc(C)c(C)c(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC001068821460 1251739882 /nfs/dbraw/zinc/73/98/82/1251739882.db2.gz BHRVHZPXQWECSR-GXTWGEPZSA-N -1 1 341.415 2.218 20 0 EEADMM Cc1nc(C)c(F)c(N[C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069062969 1252165056 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/nfs/dbraw/zinc/32/74/75/1331327475.db2.gz XKXLBBPAOLZABU-UHFFFAOYSA-N -1 1 326.356 2.247 20 0 EEADMM Cc1cc([C@@H](NCc2ccc3c(c2)NC(=O)CO3)C(=O)[O-])ccc1F ZINC001607612514 1351525445 /nfs/dbraw/zinc/52/54/45/1351525445.db2.gz OZFCEZDUURNIHZ-QGZVFWFLSA-N -1 1 344.342 2.381 20 0 EEADMM O=C([O-])C1(C(=O)Nc2cnn(-c3ccncc3)c2)CC2(CCC2)C1 ZINC001608567429 1351717611 /nfs/dbraw/zinc/71/76/11/1351717611.db2.gz VCECAJSBXNEUSL-UHFFFAOYSA-N -1 1 326.356 2.241 20 0 EEADMM O=C([O-])CN1CCN(C(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC001608749233 1351755457 /nfs/dbraw/zinc/75/54/57/1351755457.db2.gz TUHRWKABCJEHBQ-OWOJBTEDSA-N -1 1 348.346 2.009 20 0 EEADMM O=C([O-])c1cc(Br)oc1CNCc1n[nH]c(C2CC2)n1 ZINC001608834702 1351774538 /nfs/dbraw/zinc/77/45/38/1351774538.db2.gz ZDXGPROXPBYWJP-UHFFFAOYSA-N -1 1 341.165 2.026 20 0 EEADMM O=C([O-])c1ccc(F)c(CN2CCC(c3nnc4n3CCC4)CC2)c1 ZINC001608895077 1351789254 /nfs/dbraw/zinc/78/92/54/1351789254.db2.gz NSQOBRGCNSLPPI-UHFFFAOYSA-N -1 1 344.390 2.441 20 0 EEADMM Cn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccccn1 ZINC001319236027 1332668880 /nfs/dbraw/zinc/66/88/80/1332668880.db2.gz GQPSHKMHYSPNHG-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(C)C ZINC001319777309 1332765369 /nfs/dbraw/zinc/76/53/69/1332765369.db2.gz FHUDDGPTCSKMHX-VIFPVBQESA-N -1 1 327.233 2.338 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)Nc2c3c(ccc2Cl)OCC3)c1 ZINC001608990927 1351809813 /nfs/dbraw/zinc/80/98/13/1351809813.db2.gz WAEXPEVHJDFKRI-UHFFFAOYSA-N -1 1 343.744 2.367 20 0 EEADMM O=C(NCc1ccc(-n2cnc3ccccc32)nc1)c1ncccc1[O-] ZINC001321483601 1333111655 /nfs/dbraw/zinc/11/16/55/1333111655.db2.gz DPRHEWZONOAAJT-UHFFFAOYSA-N -1 1 345.362 2.451 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(-c2nnc(CCc3ccccc3)o2)o1 ZINC001322329122 1333247622 /nfs/dbraw/zinc/24/76/22/1333247622.db2.gz BHNHVQVSGPTHHR-UHFFFAOYSA-N -1 1 333.369 2.023 20 0 EEADMM CC(C)(C)c1ncsc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609081786 1351833278 /nfs/dbraw/zinc/83/32/78/1351833278.db2.gz LTVWXVYRDJVHON-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1ncsc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609081786 1351833282 /nfs/dbraw/zinc/83/32/82/1351833282.db2.gz LTVWXVYRDJVHON-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM C[C@@H](C1CC1)n1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001609108632 1351846752 /nfs/dbraw/zinc/84/67/52/1351846752.db2.gz RYRVIHJWJFTQCV-VIFPVBQESA-N -1 1 341.350 2.426 20 0 EEADMM C[C@@H](C1CC1)n1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001609108632 1351846756 /nfs/dbraw/zinc/84/67/56/1351846756.db2.gz RYRVIHJWJFTQCV-VIFPVBQESA-N -1 1 341.350 2.426 20 0 EEADMM O=C([N-]c1nnc(-c2ccncc2)s1)c1cc2n[nH]nc2cc1F ZINC001324300192 1333652530 /nfs/dbraw/zinc/65/25/30/1333652530.db2.gz VZOUOIXTYNBSGZ-UHFFFAOYSA-N -1 1 341.331 2.263 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609159502 1351868186 /nfs/dbraw/zinc/86/81/86/1351868186.db2.gz OMJZTLMOQTWHKV-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609159502 1351868188 /nfs/dbraw/zinc/86/81/88/1351868188.db2.gz OMJZTLMOQTWHKV-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@H]1F ZINC001609168946 1351874351 /nfs/dbraw/zinc/87/43/51/1351874351.db2.gz RXAVUKLPKRRISR-IONNQARKSA-N -1 1 330.289 2.465 20 0 EEADMM C[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@H]1F ZINC001609168946 1351874356 /nfs/dbraw/zinc/87/43/56/1351874356.db2.gz RXAVUKLPKRRISR-IONNQARKSA-N -1 1 330.289 2.465 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204769 1351890613 /nfs/dbraw/zinc/89/06/13/1351890613.db2.gz OKEWOKRQVGURDD-WDEREUQCSA-N -1 1 339.421 2.049 20 0 EEADMM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609246030 1351907634 /nfs/dbraw/zinc/90/76/34/1351907634.db2.gz ZDTOJVSZPJUMIT-QWHCGFSZSA-N -1 1 339.355 2.144 20 0 EEADMM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609246030 1351907638 /nfs/dbraw/zinc/90/76/38/1351907638.db2.gz ZDTOJVSZPJUMIT-QWHCGFSZSA-N -1 1 339.355 2.144 20 0 EEADMM COC1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001609313050 1351929794 /nfs/dbraw/zinc/92/97/94/1351929794.db2.gz BCPJHDAXAZBLKJ-UHFFFAOYSA-N -1 1 325.376 2.179 20 0 EEADMM COC1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001609313050 1351929798 /nfs/dbraw/zinc/92/97/98/1351929798.db2.gz BCPJHDAXAZBLKJ-UHFFFAOYSA-N -1 1 325.376 2.179 20 0 EEADMM CSc1cccc(N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609373294 1351950518 /nfs/dbraw/zinc/95/05/18/1351950518.db2.gz PVXJHPBOLJQPNI-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1cccc(N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609373294 1351950522 /nfs/dbraw/zinc/95/05/22/1351950522.db2.gz PVXJHPBOLJQPNI-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2cc(F)cc(C)c2C1 ZINC001609403696 1351962749 /nfs/dbraw/zinc/96/27/49/1351962749.db2.gz SPXSFNRRKFZMQY-UHFFFAOYSA-N -1 1 341.346 2.414 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2cc(F)cc(C)c2C1 ZINC001609403696 1351962751 /nfs/dbraw/zinc/96/27/51/1351962751.db2.gz SPXSFNRRKFZMQY-UHFFFAOYSA-N -1 1 341.346 2.414 20 0 EEADMM Cc1nn(C/C=C/c2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459361 1351985746 /nfs/dbraw/zinc/98/57/46/1351985746.db2.gz CBCIYMBINZJDEL-ONEGZZNKSA-N -1 1 342.790 2.407 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c1-c1nnn[n-]1 ZINC001609465691 1351987850 /nfs/dbraw/zinc/98/78/50/1351987850.db2.gz OSJJIZCDCFKYMT-FSPLSTOPSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c1-c1nn[n-]n1 ZINC001609465691 1351987853 /nfs/dbraw/zinc/98/78/53/1351987853.db2.gz OSJJIZCDCFKYMT-FSPLSTOPSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC001609467977 1351988832 /nfs/dbraw/zinc/98/88/32/1351988832.db2.gz XPCNMVAWCZAWTL-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(F)c(Cl)c1 ZINC001609467977 1351988834 /nfs/dbraw/zinc/98/88/34/1351988834.db2.gz XPCNMVAWCZAWTL-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM FC(F)(F)c1csc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001609485770 1351994936 /nfs/dbraw/zinc/99/49/36/1351994936.db2.gz WWVXPRRUMLRPMR-UHFFFAOYSA-N -1 1 347.351 2.088 20 0 EEADMM FC(F)(F)c1csc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001609485770 1351994938 /nfs/dbraw/zinc/99/49/38/1351994938.db2.gz WWVXPRRUMLRPMR-UHFFFAOYSA-N -1 1 347.351 2.088 20 0 EEADMM O=C(Nc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC001609565697 1352018340 /nfs/dbraw/zinc/01/83/40/1352018340.db2.gz ADYASILJXCIFTO-UHFFFAOYSA-N -1 1 325.303 2.193 20 0 EEADMM O=C(Nc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC001609565697 1352018345 /nfs/dbraw/zinc/01/83/45/1352018345.db2.gz ADYASILJXCIFTO-UHFFFAOYSA-N -1 1 325.303 2.193 20 0 EEADMM O=C1Nc2ccc(Cl)cc2C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609589790 1352029303 /nfs/dbraw/zinc/02/93/03/1352029303.db2.gz INQNQUSNTWOEKG-YWEYNIOJSA-N -1 1 330.760 2.469 20 0 EEADMM O=C1Nc2ccc(Cl)cc2C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609589790 1352029308 /nfs/dbraw/zinc/02/93/08/1352029308.db2.gz INQNQUSNTWOEKG-YWEYNIOJSA-N -1 1 330.760 2.469 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609607391 1352034576 /nfs/dbraw/zinc/03/45/76/1352034576.db2.gz AABPYZZGSQRCET-CYZMBNFOSA-N -1 1 348.838 2.435 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609607391 1352034578 /nfs/dbraw/zinc/03/45/78/1352034578.db2.gz AABPYZZGSQRCET-CYZMBNFOSA-N -1 1 348.838 2.435 20 0 EEADMM c1ccc([C@@H]2CN(c3ncncc3-c3nn[n-]n3)CC23CCC3)cc1 ZINC001609617011 1352040968 /nfs/dbraw/zinc/04/09/68/1352040968.db2.gz QAWOKLWOEXOPPR-HNNXBMFYSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)[C@@H]3CCOC[C@@H]23)cc1 ZINC001609617190 1352040622 /nfs/dbraw/zinc/04/06/22/1352040622.db2.gz ZMBWPNJSKKQCPY-XYJFISCASA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)[C@@H]3CCOC[C@@H]23)cc1 ZINC001609617190 1352040626 /nfs/dbraw/zinc/04/06/26/1352040626.db2.gz ZMBWPNJSKKQCPY-XYJFISCASA-N -1 1 348.410 2.271 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001609650686 1352050440 /nfs/dbraw/zinc/05/04/40/1352050440.db2.gz LGMQJFLRDUBVNM-UHFFFAOYSA-N -1 1 328.771 2.100 20 0 EEADMM CC(C)(C)N1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001609657879 1352051991 /nfs/dbraw/zinc/05/19/91/1352051991.db2.gz LJXUNMLTJMRSPC-UHFFFAOYSA-N -1 1 343.427 2.282 20 0 EEADMM C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(C(=O)[O-])co1 ZINC001609782630 1352085068 /nfs/dbraw/zinc/08/50/68/1352085068.db2.gz XBMPOSNXFZFLLY-NSHDSACASA-N -1 1 337.397 2.373 20 0 EEADMM CCOc1cccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c1 ZINC001338359749 1336847598 /nfs/dbraw/zinc/84/75/98/1336847598.db2.gz ZJUJRNOLOPJMNR-UHFFFAOYSA-N -1 1 332.385 2.168 20 0 EEADMM CC1(CNCc2ccc(C(=O)[O-])cc2Br)OCCCO1 ZINC001609819791 1352093228 /nfs/dbraw/zinc/09/32/28/1352093228.db2.gz BMZUIBVHKJGJIT-UHFFFAOYSA-N -1 1 344.205 2.390 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC001609868826 1352107264 /nfs/dbraw/zinc/10/72/64/1352107264.db2.gz BRMYVPGXWWLZEB-CYBMUJFWSA-N -1 1 347.390 2.462 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001341052717 1337277834 /nfs/dbraw/zinc/27/78/34/1337277834.db2.gz UQFXCFWPOGURGI-CQSZACIVSA-N -1 1 338.419 2.052 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001341052717 1337277836 /nfs/dbraw/zinc/27/78/36/1337277836.db2.gz UQFXCFWPOGURGI-CQSZACIVSA-N -1 1 338.419 2.052 20 0 EEADMM CCCOc1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC001609982997 1352134531 /nfs/dbraw/zinc/13/45/31/1352134531.db2.gz RBPSWZSMGTUUNY-CQSZACIVSA-N -1 1 349.431 2.488 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C[C@H]1C ZINC001610004897 1352138968 /nfs/dbraw/zinc/13/89/68/1352138968.db2.gz RYXPJZORSHHTIP-VXGBXAGGSA-N -1 1 335.404 2.340 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001347617912 1337516156 /nfs/dbraw/zinc/51/61/56/1337516156.db2.gz PUJIVKUHKGYHIZ-UHFFFAOYSA-N -1 1 332.429 2.165 20 0 EEADMM COCC[C@H](C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001348536698 1337558834 /nfs/dbraw/zinc/55/88/34/1337558834.db2.gz JXSFIMDCUQJEBO-QMMMGPOBSA-N -1 1 327.233 2.339 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)COCC1CCCCC1 ZINC001349383431 1337619915 /nfs/dbraw/zinc/61/99/15/1337619915.db2.gz LZDHEPYXKOPTST-SNVBAGLBSA-N -1 1 339.461 2.495 20 0 EEADMM CCOc1ccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)cc1F ZINC001610043073 1352148112 /nfs/dbraw/zinc/14/81/12/1352148112.db2.gz PDAJFNJCYROKSZ-UHFFFAOYSA-N -1 1 340.332 2.118 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccccc1OCC1CC1 ZINC001351317526 1337808046 /nfs/dbraw/zinc/80/80/46/1337808046.db2.gz GZMGPGFCXZEKRT-UHFFFAOYSA-N -1 1 345.424 2.498 20 0 EEADMM COc1cc(S(=O)(=O)Nc2c(C)cccc2O)ccc1C(=O)[O-] ZINC001610306185 1352202989 /nfs/dbraw/zinc/20/29/89/1352202989.db2.gz IDUFHEKIJWCAFW-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM COc1ccccc1C(=O)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610365377 1352211228 /nfs/dbraw/zinc/21/12/28/1352211228.db2.gz YGAWBEWTPFKRCQ-UHFFFAOYSA-N -1 1 339.307 2.091 20 0 EEADMM Cc1noc(C)c1-c1nc(C)c(C(=O)Nc2ccncc2[O-])s1 ZINC001610371589 1352212542 /nfs/dbraw/zinc/21/25/42/1352212542.db2.gz DRUJITMLJZNYEK-UHFFFAOYSA-N -1 1 330.369 2.498 20 0 EEADMM Cc1c(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)ccc2cncn21 ZINC001610405483 1352217583 /nfs/dbraw/zinc/21/75/83/1352217583.db2.gz JNCHOAMTVLNNMQ-UHFFFAOYSA-N -1 1 339.351 2.383 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@@](C)(N)c2ccccc2)C(=O)[O-])cc1 ZINC001610491415 1352231817 /nfs/dbraw/zinc/23/18/17/1352231817.db2.gz BWGKOUQGMAAJKZ-LPHOPBHVSA-N -1 1 326.396 2.154 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001610552852 1352243956 /nfs/dbraw/zinc/24/39/56/1352243956.db2.gz HTJVVNPPXLAGHS-CYBMUJFWSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccc(O)cc3)c2[nH]1 ZINC001610558837 1352244581 /nfs/dbraw/zinc/24/45/81/1352244581.db2.gz GZDZESYXBGSBJR-CQSZACIVSA-N -1 1 325.324 2.133 20 0 EEADMM CC(C)[C@H](F)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428372630 1339483886 /nfs/dbraw/zinc/48/38/86/1339483886.db2.gz TUIUZCHSKIKFKG-OLZOCXBDSA-N -1 1 339.411 2.042 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ncccc32)cn1 ZINC001610839951 1352283257 /nfs/dbraw/zinc/28/32/57/1352283257.db2.gz KQYXYEAANFINKZ-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM O=C([O-])c1coc(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 ZINC001610868200 1352287994 /nfs/dbraw/zinc/28/79/94/1352287994.db2.gz YTVNNXAAHUEFHM-OAHLLOKOSA-N -1 1 328.368 2.372 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(C)s1)NC(=O)c1ncccc1[O-] ZINC001430509567 1340241722 /nfs/dbraw/zinc/24/17/22/1340241722.db2.gz KZYIXCWXFARESE-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CCCC[C@@H](C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1)C(C)C ZINC001432403842 1341280957 /nfs/dbraw/zinc/28/09/57/1341280957.db2.gz CSUNUCLAENJAJB-OAHLLOKOSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001433215014 1341539854 /nfs/dbraw/zinc/53/98/54/1341539854.db2.gz ILCCNWMSTOKSJU-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM CSc1ncc(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c(=O)[n-]1 ZINC001433841349 1341704649 /nfs/dbraw/zinc/70/46/49/1341704649.db2.gz BZEOJSXXVUSCOC-GFCCVEGCSA-N -1 1 347.444 2.489 20 0 EEADMM CSc1ncc(C(=O)NCc2cccc(-c3cnco3)c2)c(=O)[n-]1 ZINC001557314367 1342445863 /nfs/dbraw/zinc/44/58/63/1342445863.db2.gz OERIBHQWFAMMTF-UHFFFAOYSA-N -1 1 342.380 2.489 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576398863 1344009834 /nfs/dbraw/zinc/00/98/34/1344009834.db2.gz QHXMCVXFFKNMMQ-KSHIFHCESA-N -1 1 347.448 2.001 20 0 EEADMM CCCCC(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577416676 1344144772 /nfs/dbraw/zinc/14/47/72/1344144772.db2.gz KEKTXJNVNKJKEV-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)NC[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577416676 1344144775 /nfs/dbraw/zinc/14/47/75/1344144775.db2.gz KEKTXJNVNKJKEV-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001577736321 1344188734 /nfs/dbraw/zinc/18/87/34/1344188734.db2.gz MMJNAVAGSJRAOG-UHFFFAOYSA-N -1 1 338.371 2.481 20 0 EEADMM CCOC(=O)c1cccc2nc(NC(=O)c3sc(N)nc3C)[nH]c21 ZINC001578061134 1344229416 /nfs/dbraw/zinc/22/94/16/1344229416.db2.gz PMSBJIVYVCKMRA-UHFFFAOYSA-N -1 1 345.384 2.339 20 0 EEADMM COc1cccc(C[C@H](N)C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])c1 ZINC001579275533 1344364608 /nfs/dbraw/zinc/36/46/08/1344364608.db2.gz YALKRCKGVSGMMD-HNNXBMFYSA-N -1 1 346.358 2.251 20 0 EEADMM COc1cc(COC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC001579929551 1344433897 /nfs/dbraw/zinc/43/38/97/1344433897.db2.gz QTKCJGMXJBHLMZ-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(COC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC001579929551 1344433899 /nfs/dbraw/zinc/43/38/99/1344433899.db2.gz QTKCJGMXJBHLMZ-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1Cl ZINC001580069887 1344463021 /nfs/dbraw/zinc/46/30/21/1344463021.db2.gz LWHIREOUCWCTQO-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM C[C@@H](NC(=O)CSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001580306817 1344508672 /nfs/dbraw/zinc/50/86/72/1344508672.db2.gz CCHVCHTVUGMQQG-LLVKDONJSA-N -1 1 340.412 2.231 20 0 EEADMM C[C@@H](NC(=O)CSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001580306817 1344508676 /nfs/dbraw/zinc/50/86/76/1344508676.db2.gz CCHVCHTVUGMQQG-LLVKDONJSA-N -1 1 340.412 2.231 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC[C@@H]2F)c1-c1nnn[n-]1 ZINC001581686966 1344654433 /nfs/dbraw/zinc/65/44/33/1344654433.db2.gz XIFNJBBZVVSLMN-JGVFFNPUSA-N -1 1 325.373 2.034 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC[C@@H]2F)c1-c1nn[n-]n1 ZINC001581686966 1344654438 /nfs/dbraw/zinc/65/44/38/1344654438.db2.gz XIFNJBBZVVSLMN-JGVFFNPUSA-N -1 1 325.373 2.034 20 0 EEADMM O=C(Cc1c(F)cccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582137393 1344705968 /nfs/dbraw/zinc/70/59/68/1344705968.db2.gz WSQFYDWLLUPBPD-UHFFFAOYSA-N -1 1 335.339 2.065 20 0 EEADMM O=C(O[C@H]1CCOc2cc(F)ccc21)c1coc(-c2nnn[n-]2)c1 ZINC001582655999 1344778898 /nfs/dbraw/zinc/77/88/98/1344778898.db2.gz LFPKRQBTZKBGKR-NSHDSACASA-N -1 1 330.275 2.279 20 0 EEADMM O=C(O[C@H]1CCOc2cc(F)ccc21)c1coc(-c2nn[n-]n2)c1 ZINC001582655999 1344778903 /nfs/dbraw/zinc/77/89/03/1344778903.db2.gz LFPKRQBTZKBGKR-NSHDSACASA-N -1 1 330.275 2.279 20 0 EEADMM O=C(O[C@H]1CCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582655427 1344779004 /nfs/dbraw/zinc/77/90/04/1344779004.db2.gz BYHZDNJCBILOON-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=C(O[C@H]1CCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582655427 1344779006 /nfs/dbraw/zinc/77/90/06/1344779006.db2.gz BYHZDNJCBILOON-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=C(c1sccc1F)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001582755427 1344789469 /nfs/dbraw/zinc/78/94/69/1344789469.db2.gz RBSOMZAHYSDJDR-UHFFFAOYSA-N -1 1 330.348 2.055 20 0 EEADMM O=C(c1sccc1F)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001582755427 1344789473 /nfs/dbraw/zinc/78/94/73/1344789473.db2.gz RBSOMZAHYSDJDR-UHFFFAOYSA-N -1 1 330.348 2.055 20 0 EEADMM CC(C)(C)c1csc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001589235561 1348973666 /nfs/dbraw/zinc/97/36/66/1348973666.db2.gz HPEXYRMMPAYUSW-UHFFFAOYSA-N -1 1 346.416 2.186 20 0 EEADMM CC(C)(C)c1csc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001589235561 1348973675 /nfs/dbraw/zinc/97/36/75/1348973675.db2.gz HPEXYRMMPAYUSW-UHFFFAOYSA-N -1 1 346.416 2.186 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC23CCCC3)n1 ZINC001589249736 1348974605 /nfs/dbraw/zinc/97/46/05/1348974605.db2.gz XQGAZCRINPTZPJ-LLVKDONJSA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC23CCCC3)n1 ZINC001589249736 1348974608 /nfs/dbraw/zinc/97/46/08/1348974608.db2.gz XQGAZCRINPTZPJ-LLVKDONJSA-N -1 1 329.408 2.337 20 0 EEADMM CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589437061 1348990836 /nfs/dbraw/zinc/99/08/36/1348990836.db2.gz ROHMLPINJGIGBF-SECBINFHSA-N -1 1 341.462 2.126 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001589538068 1349001806 /nfs/dbraw/zinc/00/18/06/1349001806.db2.gz YUZPFVFSCDGNKN-UHFFFAOYSA-N -1 1 325.170 2.009 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001589538068 1349001811 /nfs/dbraw/zinc/00/18/11/1349001811.db2.gz YUZPFVFSCDGNKN-UHFFFAOYSA-N -1 1 325.170 2.009 20 0 EEADMM CC(C)CCC1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589586411 1349006686 /nfs/dbraw/zinc/00/66/86/1349006686.db2.gz LJLOBGXCKWCVRU-UHFFFAOYSA-N -1 1 342.447 2.479 20 0 EEADMM CC(C)CCC1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589586411 1349006692 /nfs/dbraw/zinc/00/66/92/1349006692.db2.gz LJLOBGXCKWCVRU-UHFFFAOYSA-N -1 1 342.447 2.479 20 0 EEADMM CC(C)Cc1c[nH]c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC001589661181 1349016931 /nfs/dbraw/zinc/01/69/31/1349016931.db2.gz JLHUMTCQFPILFV-UHFFFAOYSA-N -1 1 326.360 2.351 20 0 EEADMM CC(C)N1CCC[C@@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001589715775 1349023537 /nfs/dbraw/zinc/02/35/37/1349023537.db2.gz ZMOIHAJUHHNMJJ-GFCCVEGCSA-N -1 1 335.408 2.497 20 0 EEADMM CC(C)OC1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001589736961 1349025693 /nfs/dbraw/zinc/02/56/93/1349025693.db2.gz FLNAXYWUAUUPLO-UHFFFAOYSA-N -1 1 342.812 2.263 20 0 EEADMM CC(C)c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001589769365 1349035702 /nfs/dbraw/zinc/03/57/02/1349035702.db2.gz HTKRSWKIYOXUSN-UHFFFAOYSA-N -1 1 328.401 2.377 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC001589775554 1349036622 /nfs/dbraw/zinc/03/66/22/1349036622.db2.gz BFPXCYATVGGHSJ-GFCCVEGCSA-N -1 1 340.391 2.500 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC001589775554 1349036626 /nfs/dbraw/zinc/03/66/26/1349036626.db2.gz BFPXCYATVGGHSJ-GFCCVEGCSA-N -1 1 340.391 2.500 20 0 EEADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001589786694 1349042131 /nfs/dbraw/zinc/04/21/31/1349042131.db2.gz JURLDLURHFAXSL-QMMMGPOBSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589786694 1349042135 /nfs/dbraw/zinc/04/21/35/1349042135.db2.gz JURLDLURHFAXSL-QMMMGPOBSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@H](Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F)C(F)(F)F ZINC001589905584 1349059822 /nfs/dbraw/zinc/05/98/22/1349059822.db2.gz XRPWCJYVUQXNSB-RXMQYKEDSA-N -1 1 341.215 2.246 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001589905396 1349060032 /nfs/dbraw/zinc/06/00/32/1349060032.db2.gz ADVOUAPYZGPSQS-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001589905396 1349060036 /nfs/dbraw/zinc/06/00/36/1349060036.db2.gz ADVOUAPYZGPSQS-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC001589948967 1349073507 /nfs/dbraw/zinc/07/35/07/1349073507.db2.gz SXLBYILVYCEHCE-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001589948967 1349073516 /nfs/dbraw/zinc/07/35/16/1349073516.db2.gz SXLBYILVYCEHCE-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM CC(C)n1cc([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001589982801 1349092394 /nfs/dbraw/zinc/09/23/94/1349092394.db2.gz XXJAXXDSFWRNKJ-JTQLQIEISA-N -1 1 339.407 2.485 20 0 EEADMM CC(C)n1cc([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001589982801 1349092399 /nfs/dbraw/zinc/09/23/99/1349092399.db2.gz XXJAXXDSFWRNKJ-JTQLQIEISA-N -1 1 339.407 2.485 20 0 EEADMM CC1(C)C(C(=O)COC(=O)c2csc(-c3nnn[n-]3)c2)C1(C)C ZINC001590074136 1349138308 /nfs/dbraw/zinc/13/83/08/1349138308.db2.gz YWRYDZQGZFTLOL-UHFFFAOYSA-N -1 1 334.401 2.336 20 0 EEADMM CC1(C)C(C(=O)COC(=O)c2csc(-c3nn[n-]n3)c2)C1(C)C ZINC001590074136 1349138315 /nfs/dbraw/zinc/13/83/15/1349138315.db2.gz YWRYDZQGZFTLOL-UHFFFAOYSA-N -1 1 334.401 2.336 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001590087840 1349146834 /nfs/dbraw/zinc/14/68/34/1349146834.db2.gz ZLSXJUSRJYARBJ-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001590087840 1349146836 /nfs/dbraw/zinc/14/68/36/1349146836.db2.gz ZLSXJUSRJYARBJ-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](C(F)(F)F)O1 ZINC001590104718 1349157339 /nfs/dbraw/zinc/15/73/39/1349157339.db2.gz SXVSIIPBDPSIFE-SNVBAGLBSA-N -1 1 331.298 2.001 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](C(F)(F)F)O1 ZINC001590104718 1349157342 /nfs/dbraw/zinc/15/73/42/1349157342.db2.gz SXVSIIPBDPSIFE-SNVBAGLBSA-N -1 1 331.298 2.001 20 0 EEADMM CC1(F)CCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001590141131 1349172285 /nfs/dbraw/zinc/17/22/85/1349172285.db2.gz AYAMUUVBEHKQHG-UHFFFAOYSA-N -1 1 325.294 2.109 20 0 EEADMM CC1(F)CCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001590141131 1349172288 /nfs/dbraw/zinc/17/22/88/1349172288.db2.gz AYAMUUVBEHKQHG-UHFFFAOYSA-N -1 1 325.294 2.109 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[C@H](C)O1 ZINC001590195205 1349194810 /nfs/dbraw/zinc/19/48/10/1349194810.db2.gz YNSVMGQIPVZIOT-VWYCJHECSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[C@H](C)O1 ZINC001590195205 1349194814 /nfs/dbraw/zinc/19/48/14/1349194814.db2.gz YNSVMGQIPVZIOT-VWYCJHECSA-N -1 1 325.376 2.035 20 0 EEADMM CCC(C)(C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590375605 1349290617 /nfs/dbraw/zinc/29/06/17/1349290617.db2.gz NGYOUDYJVGVKHR-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590406354 1349308430 /nfs/dbraw/zinc/30/84/30/1349308430.db2.gz MEWHPZHYALTHNO-VHSXEESVSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C(C)C ZINC001590423245 1349317360 /nfs/dbraw/zinc/31/73/60/1349317360.db2.gz NZDBAMUDXFIOST-LLVKDONJSA-N -1 1 344.419 2.345 20 0 EEADMM CC[C@H](CC(F)(F)F)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590422181 1349317423 /nfs/dbraw/zinc/31/74/23/1349317423.db2.gz PSKAOQHXYONAPR-MRVPVSSYSA-N -1 1 329.282 2.284 20 0 EEADMM CC[C@H](CC(F)(F)F)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590422181 1349317428 /nfs/dbraw/zinc/31/74/28/1349317428.db2.gz PSKAOQHXYONAPR-MRVPVSSYSA-N -1 1 329.282 2.284 20 0 EEADMM CC[C@H]1CCCCN1S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590512332 1349361677 /nfs/dbraw/zinc/36/16/77/1349361677.db2.gz GNDQUOXUVSKBHA-NSHDSACASA-N -1 1 341.462 2.023 20 0 EEADMM CC[C@H]1CCCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590513470 1349362454 /nfs/dbraw/zinc/36/24/54/1349362454.db2.gz KEUQCMZFKDHLAB-VIFPVBQESA-N -1 1 340.309 2.295 20 0 EEADMM CCCCc1nnc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001590614693 1349376728 /nfs/dbraw/zinc/37/67/28/1349376728.db2.gz QCVOGROFPTUFCM-UHFFFAOYSA-N -1 1 333.377 2.215 20 0 EEADMM CCCCc1nnc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001590614693 1349376732 /nfs/dbraw/zinc/37/67/32/1349376732.db2.gz QCVOGROFPTUFCM-UHFFFAOYSA-N -1 1 333.377 2.215 20 0 EEADMM CCO[C@@H](c1noc(-c2cccc(-c3nnn[n-]3)n2)n1)c1ccccc1 ZINC001590784856 1349399454 /nfs/dbraw/zinc/39/94/54/1349399454.db2.gz FVILTNJNXFYYEN-CQSZACIVSA-N -1 1 349.354 2.438 20 0 EEADMM CCO[C@@H](c1noc(-c2cccc(-c3nn[n-]n3)n2)n1)c1ccccc1 ZINC001590784856 1349399461 /nfs/dbraw/zinc/39/94/61/1349399461.db2.gz FVILTNJNXFYYEN-CQSZACIVSA-N -1 1 349.354 2.438 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001590868320 1349406320 /nfs/dbraw/zinc/40/63/20/1349406320.db2.gz LLYZJSPOIULFSR-VIFPVBQESA-N -1 1 338.799 2.447 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001590868320 1349406329 /nfs/dbraw/zinc/40/63/29/1349406329.db2.gz LLYZJSPOIULFSR-VIFPVBQESA-N -1 1 338.799 2.447 20 0 EEADMM CCc1nc(N[C@@H](C)c2cccc(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590917503 1349412191 /nfs/dbraw/zinc/41/21/91/1349412191.db2.gz YQAAGCUVUOFWGF-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM CCc1nc(N[C@@H](C)c2cccc(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590917503 1349412196 /nfs/dbraw/zinc/41/21/96/1349412196.db2.gz YQAAGCUVUOFWGF-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM CON(Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC001591468784 1349488535 /nfs/dbraw/zinc/48/85/35/1349488535.db2.gz VXBZJCOOMQBXDA-UHFFFAOYSA-N -1 1 330.779 2.479 20 0 EEADMM CON(Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC001591468784 1349488540 /nfs/dbraw/zinc/48/85/40/1349488540.db2.gz VXBZJCOOMQBXDA-UHFFFAOYSA-N -1 1 330.779 2.479 20 0 EEADMM COc1ccc(N(C)C(=O)c2cc(-c3nnn[n-]3)oc2C)c(OC)c1 ZINC001591606721 1349513121 /nfs/dbraw/zinc/51/31/21/1349513121.db2.gz XUSAURFUZNEGMB-UHFFFAOYSA-N -1 1 343.343 2.062 20 0 EEADMM COc1ccc(N(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)c(OC)c1 ZINC001591606721 1349513124 /nfs/dbraw/zinc/51/31/24/1349513124.db2.gz XUSAURFUZNEGMB-UHFFFAOYSA-N -1 1 343.343 2.062 20 0 EEADMM COc1ccc(Cn2cc(Nc3cccc(-c4nnn[n-]4)n3)cn2)cc1 ZINC001591605874 1349513727 /nfs/dbraw/zinc/51/37/27/1349513727.db2.gz QBUOEAMBIBXVBW-UHFFFAOYSA-N -1 1 348.370 2.259 20 0 EEADMM COc1ccc(Cn2cc(Nc3cccc(-c4nn[n-]n4)n3)cn2)cc1 ZINC001591605874 1349513731 /nfs/dbraw/zinc/51/37/31/1349513731.db2.gz QBUOEAMBIBXVBW-UHFFFAOYSA-N -1 1 348.370 2.259 20 0 EEADMM COc1cccc2c1OCC[C@H]2OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591643187 1349520382 /nfs/dbraw/zinc/52/03/82/1349520382.db2.gz CFPJMNLJDLVWFY-LLVKDONJSA-N -1 1 342.311 2.149 20 0 EEADMM COc1cccc2c1OCC[C@H]2OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591643187 1349520390 /nfs/dbraw/zinc/52/03/90/1349520390.db2.gz CFPJMNLJDLVWFY-LLVKDONJSA-N -1 1 342.311 2.149 20 0 EEADMM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cnn1CCC(C)C ZINC001591812709 1349538662 /nfs/dbraw/zinc/53/86/62/1349538662.db2.gz KJVFKQOSFUQKOE-UHFFFAOYSA-N -1 1 344.375 2.368 20 0 EEADMM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cnn1CCC(C)C ZINC001591812709 1349538664 /nfs/dbraw/zinc/53/86/64/1349538664.db2.gz KJVFKQOSFUQKOE-UHFFFAOYSA-N -1 1 344.375 2.368 20 0 EEADMM Cc1cccc(C)c1OCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592225100 1349612433 /nfs/dbraw/zinc/61/24/33/1349612433.db2.gz VRIASSUJYBHBPV-UHFFFAOYSA-N -1 1 328.328 2.312 20 0 EEADMM Cc1nc([C@@H]2CCCCN2Cc2csc(-c3nn[n-]n3)c2)no1 ZINC001592356871 1349623987 /nfs/dbraw/zinc/62/39/87/1349623987.db2.gz VCIKXLPJXMAURS-NSHDSACASA-N -1 1 331.405 2.347 20 0 EEADMM Cc1nc(N[C@@H]2c3ccccc3CC[C@H]2F)cc(-c2nnn[n-]2)n1 ZINC001592383733 1349625770 /nfs/dbraw/zinc/62/57/70/1349625770.db2.gz IEVRWYHKSARSEO-IUODEOHRSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nc(N[C@@H]2c3ccccc3CC[C@H]2F)cc(-c2nn[n-]n2)n1 ZINC001592383733 1349625771 /nfs/dbraw/zinc/62/57/71/1349625771.db2.gz IEVRWYHKSARSEO-IUODEOHRSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001592497097 1349637132 /nfs/dbraw/zinc/63/71/32/1349637132.db2.gz UZSISWJUIUHXLE-OCAPTIKFSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001592497097 1349637133 /nfs/dbraw/zinc/63/71/33/1349637133.db2.gz UZSISWJUIUHXLE-OCAPTIKFSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1sccc1CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001592522810 1349645230 /nfs/dbraw/zinc/64/52/30/1349645230.db2.gz ODTRCWCVODBANI-UHFFFAOYSA-N -1 1 340.412 2.154 20 0 EEADMM Cc1sccc1CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001592522810 1349645231 /nfs/dbraw/zinc/64/52/31/1349645231.db2.gz ODTRCWCVODBANI-UHFFFAOYSA-N -1 1 340.412 2.154 20 0 EEADMM Clc1ccc(N2CCC[C@H](OC3CCC3)C2)nc1-c1nnn[n-]1 ZINC001592532947 1349649939 /nfs/dbraw/zinc/64/99/39/1349649939.db2.gz XPXQIFMVYXFMGG-NSHDSACASA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCC[C@H](OC3CCC3)C2)nc1-c1nn[n-]n1 ZINC001592532947 1349649942 /nfs/dbraw/zinc/64/99/42/1349649942.db2.gz XPXQIFMVYXFMGG-NSHDSACASA-N -1 1 334.811 2.453 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2COC3(CCC3)C2)c1 ZINC001592622370 1349677151 /nfs/dbraw/zinc/67/71/51/1349677151.db2.gz FGTMSJKFBHNORI-VIFPVBQESA-N -1 1 340.309 2.404 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2COC3(CCC3)C2)c1 ZINC001592622370 1349677157 /nfs/dbraw/zinc/67/71/57/1349677157.db2.gz FGTMSJKFBHNORI-VIFPVBQESA-N -1 1 340.309 2.404 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592654397 1349698548 /nfs/dbraw/zinc/69/85/48/1349698548.db2.gz IXHNRKNMOHKIAQ-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592654397 1349698553 /nfs/dbraw/zinc/69/85/53/1349698553.db2.gz IXHNRKNMOHKIAQ-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592654464 1349699052 /nfs/dbraw/zinc/69/90/52/1349699052.db2.gz KKKJTXHCPHLRCT-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592654464 1349699059 /nfs/dbraw/zinc/69/90/59/1349699059.db2.gz KKKJTXHCPHLRCT-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccccc1CN(CC1CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001592658615 1349702955 /nfs/dbraw/zinc/70/29/55/1349702955.db2.gz BNEMANQITUUESM-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM O=C(CCc1cc(F)ccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592849434 1349720393 /nfs/dbraw/zinc/72/03/93/1349720393.db2.gz ZBKWFOUUPMYSTP-UHFFFAOYSA-N -1 1 349.366 2.455 20 0 EEADMM O=C(Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)c1ccsc1 ZINC001592942984 1349728076 /nfs/dbraw/zinc/72/80/76/1349728076.db2.gz NYLQNSUCLOSIGQ-UHFFFAOYSA-N -1 1 337.368 2.070 20 0 EEADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001592983613 1349731431 /nfs/dbraw/zinc/73/14/31/1349731431.db2.gz WSAMGSIOSBNUBE-NSHDSACASA-N -1 1 325.328 2.103 20 0 EEADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001592983613 1349731433 /nfs/dbraw/zinc/73/14/33/1349731433.db2.gz WSAMGSIOSBNUBE-NSHDSACASA-N -1 1 325.328 2.103 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(F)c(F)c(F)c1F ZINC001593245508 1349749456 /nfs/dbraw/zinc/74/94/56/1349749456.db2.gz QNJCMLWVUKVJQV-UHFFFAOYSA-N -1 1 338.224 2.070 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(F)c(F)c(F)c1F ZINC001593245508 1349749458 /nfs/dbraw/zinc/74/94/58/1349749458.db2.gz QNJCMLWVUKVJQV-UHFFFAOYSA-N -1 1 338.224 2.070 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593255747 1349751889 /nfs/dbraw/zinc/75/18/89/1349751889.db2.gz JKMGYRRWNMUULE-VNQPRFMTSA-N -1 1 347.382 2.112 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC001593255747 1349751893 /nfs/dbraw/zinc/75/18/93/1349751893.db2.gz JKMGYRRWNMUULE-VNQPRFMTSA-N -1 1 347.382 2.112 20 0 EEADMM O=C(Nc1ccn(C2CCCCC2)n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593253828 1349752149 /nfs/dbraw/zinc/75/21/49/1349752149.db2.gz LIRRXYDNUUMLPL-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1ccn(C2CCCCC2)n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593253828 1349752153 /nfs/dbraw/zinc/75/21/53/1349752153.db2.gz LIRRXYDNUUMLPL-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1cnn(C2CCCC2)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593259731 1349754129 /nfs/dbraw/zinc/75/41/29/1349754129.db2.gz ZRGMXRAVTFVLRB-UHFFFAOYSA-N -1 1 329.389 2.492 20 0 EEADMM O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593280890 1349760875 /nfs/dbraw/zinc/76/08/75/1349760875.db2.gz DIMCMIQDFPAPPG-JTQLQIEISA-N -1 1 339.233 2.315 20 0 EEADMM O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593280890 1349760881 /nfs/dbraw/zinc/76/08/81/1349760881.db2.gz DIMCMIQDFPAPPG-JTQLQIEISA-N -1 1 339.233 2.315 20 0 EEADMM O=C(OCc1ccc(OC(F)F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593298777 1349771274 /nfs/dbraw/zinc/77/12/74/1349771274.db2.gz HPKRORRMCQYVEP-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccc(OC(F)F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593298777 1349771275 /nfs/dbraw/zinc/77/12/75/1349771275.db2.gz HPKRORRMCQYVEP-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@]2(CCSC2)C1 ZINC001593350650 1349788557 /nfs/dbraw/zinc/78/85/57/1349788557.db2.gz RPFDRGRFPCHZOQ-MRXNPFEDSA-N -1 1 347.419 2.365 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@]2(CCSC2)C1 ZINC001593350650 1349788558 /nfs/dbraw/zinc/78/85/58/1349788558.db2.gz RPFDRGRFPCHZOQ-MRXNPFEDSA-N -1 1 347.419 2.365 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2nccs2)C1 ZINC001593371050 1349792848 /nfs/dbraw/zinc/79/28/48/1349792848.db2.gz LQGKPGBMBZSERR-VIFPVBQESA-N -1 1 346.441 2.090 20 0 EEADMM O=Cc1ccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c(F)c1 ZINC001593416554 1349799254 /nfs/dbraw/zinc/79/92/54/1349799254.db2.gz YZOQAYGNHCLLJY-UHFFFAOYSA-N -1 1 326.291 2.278 20 0 EEADMM O=Cc1ccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c(F)c1 ZINC001593416554 1349799259 /nfs/dbraw/zinc/79/92/59/1349799259.db2.gz YZOQAYGNHCLLJY-UHFFFAOYSA-N -1 1 326.291 2.278 20 0 EEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H]1c1ccccc1 ZINC001593453973 1349801738 /nfs/dbraw/zinc/80/17/38/1349801738.db2.gz FMRIXWXEXPQURD-LLVKDONJSA-N -1 1 347.425 2.064 20 0 EEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]1c1ccccc1 ZINC001593453973 1349801747 /nfs/dbraw/zinc/80/17/47/1349801747.db2.gz FMRIXWXEXPQURD-LLVKDONJSA-N -1 1 347.425 2.064 20 0 EEADMM OC[C@H]1c2ccccc2CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593528573 1349832040 /nfs/dbraw/zinc/83/20/40/1349832040.db2.gz IZXHRSKLKMLQEK-JTQLQIEISA-N -1 1 348.819 2.073 20 0 EEADMM OC[C@H]1c2ccccc2CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593528573 1349832045 /nfs/dbraw/zinc/83/20/45/1349832045.db2.gz IZXHRSKLKMLQEK-JTQLQIEISA-N -1 1 348.819 2.073 20 0 EEADMM c1c(-c2nn[n-]n2)nnn1Cc1ccc(OCc2ccccc2)cc1 ZINC001593575157 1349857874 /nfs/dbraw/zinc/85/78/74/1349857874.db2.gz QZUGHPPABHYEBH-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3nccnc3-c3nnn[n-]3)CC1)C2 ZINC001593581454 1349863407 /nfs/dbraw/zinc/86/34/07/1349863407.db2.gz QIRGBJAATYBIOZ-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3nccnc3-c3nn[n-]n3)CC1)C2 ZINC001593581454 1349863410 /nfs/dbraw/zinc/86/34/10/1349863410.db2.gz QIRGBJAATYBIOZ-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1nc(C2CC2)sc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593590313 1349869243 /nfs/dbraw/zinc/86/92/43/1349869243.db2.gz NVPARPZGNQBFPF-UHFFFAOYSA-N -1 1 328.405 2.413 20 0 EEADMM c1nc(C2CC2)sc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593590313 1349869246 /nfs/dbraw/zinc/86/92/46/1349869246.db2.gz NVPARPZGNQBFPF-UHFFFAOYSA-N -1 1 328.405 2.413 20 0 EEADMM Cc1c(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cccc1C(=O)[O-] ZINC001600042330 1349960473 /nfs/dbraw/zinc/96/04/73/1349960473.db2.gz DORCEVMWTGHHRU-STQMWFEESA-N -1 1 349.431 2.314 20 0 EEADMM Cc1cc(NC(=O)Cc2n[nH]c3c2CCCC3)nc(C)c1C(=O)[O-] ZINC001600257305 1350003659 /nfs/dbraw/zinc/00/36/59/1350003659.db2.gz KBLWKIMQBQDNAR-UHFFFAOYSA-N -1 1 328.372 2.180 20 0 EEADMM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001600301778 1350015272 /nfs/dbraw/zinc/01/52/72/1350015272.db2.gz TUHLROPDNJAHJJ-UHFFFAOYSA-N -1 1 349.412 2.409 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001600404112 1350042062 /nfs/dbraw/zinc/04/20/62/1350042062.db2.gz HYHWUQWDWNPJHY-WMZOPIPTSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1cccc([C@@H]2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)c1 ZINC001600525551 1350073078 /nfs/dbraw/zinc/07/30/78/1350073078.db2.gz YNHITYUHUONRFU-SJORKVTESA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccccc1C(F)(F)CNS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600571692 1350086344 /nfs/dbraw/zinc/08/63/44/1350086344.db2.gz PPMPVHUEIMZTKW-UHFFFAOYSA-N -1 1 345.323 2.357 20 0 EEADMM Cc1n[nH]c(Br)c1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001600668466 1350113741 /nfs/dbraw/zinc/11/37/41/1350113741.db2.gz OSXWWNADCURBNH-UHFFFAOYSA-N -1 1 344.209 2.340 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001600675865 1350114620 /nfs/dbraw/zinc/11/46/20/1350114620.db2.gz UDECYDKNTPMTBO-ZDUSSCGKSA-N -1 1 330.388 2.356 20 0 EEADMM Cc1nn(C(C)C)cc1CN1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001600766743 1350131604 /nfs/dbraw/zinc/13/16/04/1350131604.db2.gz XIRDCQVMFAOPFS-UHFFFAOYSA-N -1 1 335.448 2.354 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc([S@@](C)=O)cc1 ZINC001600787700 1350137611 /nfs/dbraw/zinc/13/76/11/1350137611.db2.gz YLHVHPQSRYBGLD-XMMPIXPASA-N -1 1 349.456 2.002 20 0 EEADMM Cc1oc(CNC(=O)Nc2cc(CN(C)C)ccn2)cc1C(=O)[O-] ZINC001600850965 1350152065 /nfs/dbraw/zinc/15/20/65/1350152065.db2.gz ACTCGIKKSQOITC-UHFFFAOYSA-N -1 1 332.360 2.065 20 0 EEADMM Cc1sc([C@H]2CCCN2Cc2ccn(C)c(=O)c2)nc1C(=O)[O-] ZINC001600885018 1350160217 /nfs/dbraw/zinc/16/02/17/1350160217.db2.gz SPUPQTAMNOMFLJ-GFCCVEGCSA-N -1 1 333.413 2.186 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC001600903085 1350163852 /nfs/dbraw/zinc/16/38/52/1350163852.db2.gz FKXLKXHOTNHPQR-HNNXBMFYSA-N -1 1 345.399 2.273 20 0 EEADMM Cn1c([C@@H]2CCCCN2C2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001600911149 1350166211 /nfs/dbraw/zinc/16/62/11/1350166211.db2.gz PRWSHPPTBVJKAH-ZFWWWQNUSA-N -1 1 347.463 2.196 20 0 EEADMM N=C(NOCc1ccc(C(=O)[O-])cc1F)[C@@H]1COc2ccccc2O1 ZINC001601136366 1350218761 /nfs/dbraw/zinc/21/87/61/1350218761.db2.gz DYPCMZCGMNZPNP-HNNXBMFYSA-N -1 1 346.314 2.362 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c21)c1ccccn1 ZINC001601402025 1350275104 /nfs/dbraw/zinc/27/51/04/1350275104.db2.gz KIDMMEGUNDEPPJ-LBPRGKRZSA-N -1 1 346.293 2.451 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001601660388 1350330928 /nfs/dbraw/zinc/33/09/28/1350330928.db2.gz UVULOYUKJIXVGT-SWLSCSKDSA-N -1 1 332.331 2.208 20 0 EEADMM O=C([O-])[C@H]1[C@H](CN2CCN(c3ccc4ccccc4n3)CC2)C1(F)F ZINC001601750225 1350355474 /nfs/dbraw/zinc/35/54/74/1350355474.db2.gz RBQBVQFJHWTHRR-XJKSGUPXSA-N -1 1 347.365 2.323 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC001601772132 1350360925 /nfs/dbraw/zinc/36/09/25/1350360925.db2.gz JKTMWLKKJMOXEI-KSSFIOAISA-N -1 1 343.379 2.378 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC/C(Cl)=C\Cl)CCCC1 ZINC001601782824 1350363840 /nfs/dbraw/zinc/36/38/40/1350363840.db2.gz YYCSEGDZMKEGJE-WHTZOINASA-N -1 1 335.231 2.045 20 0 EEADMM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(F)cc(F)c1O ZINC001602009040 1350417674 /nfs/dbraw/zinc/41/76/74/1350417674.db2.gz LTDGVNCEUNGDPJ-UHFFFAOYSA-N -1 1 336.294 2.183 20 0 EEADMM O=C([O-])CN1CCN(C(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC001602062407 1350430420 /nfs/dbraw/zinc/43/04/20/1350430420.db2.gz MEPQHCUTNJHNPM-UHFFFAOYSA-N -1 1 332.787 2.336 20 0 EEADMM O=C([O-])COc1ccccc1CNC[C@H](n1cccn1)C(F)(F)F ZINC001602096117 1350436666 /nfs/dbraw/zinc/43/66/66/1350436666.db2.gz LBJGKZMYEXLWBN-ZDUSSCGKSA-N -1 1 343.305 2.240 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1F ZINC001602126153 1350445445 /nfs/dbraw/zinc/44/54/45/1350445445.db2.gz FKVDJUKFBGAATI-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])c1cc(C2CCN(C[C@H](O)c3ccccc3F)CC2)no1 ZINC001602252509 1350477347 /nfs/dbraw/zinc/47/73/47/1350477347.db2.gz HXNNEDAMJUPDMH-HNNXBMFYSA-N -1 1 334.347 2.425 20 0 EEADMM O=C([O-])c1cc(CN2CCC(O[C@H]3CCOC3)CC2)n2c1CCCC2 ZINC001602256589 1350479408 /nfs/dbraw/zinc/47/94/08/1350479408.db2.gz JXXOJZSCWQAUNN-INIZCTEOSA-N -1 1 348.443 2.293 20 0 EEADMM O=C([O-])c1ccccc1CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001602466485 1350525752 /nfs/dbraw/zinc/52/57/52/1350525752.db2.gz MERWDXZKPVVZJR-GXTWGEPZSA-N -1 1 331.334 2.420 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001603019466 1350622093 /nfs/dbraw/zinc/62/20/93/1350622093.db2.gz GXUDVCYIDIMMEI-JTQLQIEISA-N -1 1 342.790 2.335 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001603019466 1350622097 /nfs/dbraw/zinc/62/20/97/1350622097.db2.gz GXUDVCYIDIMMEI-JTQLQIEISA-N -1 1 342.790 2.335 20 0 EEADMM CC(C)[C@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603240233 1350668944 /nfs/dbraw/zinc/66/89/44/1350668944.db2.gz ANNGVTLVAPNZOT-CMPLNLGQSA-N -1 1 336.417 2.423 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603463166 1350709470 /nfs/dbraw/zinc/70/94/70/1350709470.db2.gz FRWZHXMYUCEEKG-GXFFZTMASA-N -1 1 343.412 2.170 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603463166 1350709473 /nfs/dbraw/zinc/70/94/73/1350709473.db2.gz FRWZHXMYUCEEKG-GXFFZTMASA-N -1 1 343.412 2.170 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001603486093 1350711039 /nfs/dbraw/zinc/71/10/39/1350711039.db2.gz AUSKIKRFFGDHRS-UHFFFAOYSA-N -1 1 334.353 2.173 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CCCCC1 ZINC001603677259 1350740477 /nfs/dbraw/zinc/74/04/77/1350740477.db2.gz QWCBEDKAIXWBCX-SECBINFHSA-N -1 1 341.462 2.175 20 0 EEADMM CC1(C)CCC[C@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603773595 1350764211 /nfs/dbraw/zinc/76/42/11/1350764211.db2.gz GHZCOEORYUBFNH-ZDUSSCGKSA-N -1 1 328.420 2.137 20 0 EEADMM CC1(C)CCC[C@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603773595 1350764214 /nfs/dbraw/zinc/76/42/14/1350764214.db2.gz GHZCOEORYUBFNH-ZDUSSCGKSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001603885637 1350792175 /nfs/dbraw/zinc/79/21/75/1350792175.db2.gz DWCJIVVMWUXVDR-MWLCHTKSSA-N -1 1 345.407 2.001 20 0 EEADMM C[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)[C@H]1C ZINC001603903146 1350799104 /nfs/dbraw/zinc/79/91/04/1350799104.db2.gz FHIDWKZDMODBGX-YUMQZZPRSA-N -1 1 340.309 2.151 20 0 EEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001603941087 1350808901 /nfs/dbraw/zinc/80/89/01/1350808901.db2.gz OYXAJZRDVAZRHI-NSHDSACASA-N -1 1 344.371 2.349 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603965991 1350815983 /nfs/dbraw/zinc/81/59/83/1350815983.db2.gz YPXPEVSRJYHOAD-IBUXWKBASA-N -1 1 326.404 2.009 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603965991 1350815985 /nfs/dbraw/zinc/81/59/85/1350815985.db2.gz YPXPEVSRJYHOAD-IBUXWKBASA-N -1 1 326.404 2.009 20 0 EEADMM CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC001604049703 1350838456 /nfs/dbraw/zinc/83/84/56/1350838456.db2.gz DVEYXBVHWCOZIH-GFCCVEGCSA-N -1 1 341.396 2.320 20 0 EEADMM CCC(O)(CC)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604065996 1350844761 /nfs/dbraw/zinc/84/47/61/1350844761.db2.gz GUMKNBRXLJLDNV-UHFFFAOYSA-N -1 1 330.314 2.244 20 0 EEADMM CCC(O)(CC)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604065996 1350844764 /nfs/dbraw/zinc/84/47/64/1350844764.db2.gz GUMKNBRXLJLDNV-UHFFFAOYSA-N -1 1 330.314 2.244 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cccnc1-c1nnn[n-]1 ZINC001604066306 1350845070 /nfs/dbraw/zinc/84/50/70/1350845070.db2.gz RQEBYWMGVLCWOR-LBPRGKRZSA-N -1 1 330.314 2.157 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cccnc1-c1nn[n-]n1 ZINC001604066306 1350845074 /nfs/dbraw/zinc/84/50/74/1350845074.db2.gz RQEBYWMGVLCWOR-LBPRGKRZSA-N -1 1 330.314 2.157 20 0 EEADMM CC[C@@H](OCCNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001604071223 1350846352 /nfs/dbraw/zinc/84/63/52/1350846352.db2.gz KOESDXARZWVITB-CYBMUJFWSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@@H](OCCNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001604071223 1350846354 /nfs/dbraw/zinc/84/63/54/1350846354.db2.gz KOESDXARZWVITB-CYBMUJFWSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@H](OCCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001604071922 1350847450 /nfs/dbraw/zinc/84/74/50/1350847450.db2.gz OQZKZJXDVCZWSS-AWEZNQCLSA-N -1 1 325.376 2.237 20 0 EEADMM CC[C@H](OCCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001604071922 1350847452 /nfs/dbraw/zinc/84/74/52/1350847452.db2.gz OQZKZJXDVCZWSS-AWEZNQCLSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H](CCO)c1ccco1 ZINC001604073270 1350847486 /nfs/dbraw/zinc/84/74/86/1350847486.db2.gz ZFWUBQOFTSKIIP-IUODEOHRSA-N -1 1 346.383 2.408 20 0 EEADMM CCC1(CC)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001604084245 1350850251 /nfs/dbraw/zinc/85/02/51/1350850251.db2.gz JQKRPMMEFUTTLJ-UHFFFAOYSA-N -1 1 347.448 2.401 20 0 EEADMM CCC1(CC)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001604084245 1350850255 /nfs/dbraw/zinc/85/02/55/1350850255.db2.gz JQKRPMMEFUTTLJ-UHFFFAOYSA-N -1 1 347.448 2.401 20 0 EEADMM CCCCCCO[C@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001604177040 1350884487 /nfs/dbraw/zinc/88/44/87/1350884487.db2.gz CYWMRIWAWHYZHA-LLVKDONJSA-N -1 1 333.392 2.496 20 0 EEADMM CCCOc1cccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001604232090 1350898914 /nfs/dbraw/zinc/89/89/14/1350898914.db2.gz BHWKOVDWDCPMEL-UHFFFAOYSA-N -1 1 325.372 2.174 20 0 EEADMM C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(C(=O)[O-])co1 ZINC001604324698 1350915285 /nfs/dbraw/zinc/91/52/85/1350915285.db2.gz KVNQDYFFIARSLL-IUODEOHRSA-N -1 1 330.384 2.328 20 0 EEADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC001604327762 1350916842 /nfs/dbraw/zinc/91/68/42/1350916842.db2.gz YILGQRVMLYWIQO-YOEHRIQHSA-N -1 1 326.396 2.323 20 0 EEADMM C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cncc(C(=O)[O-])c1 ZINC001604348913 1350920996 /nfs/dbraw/zinc/92/09/96/1350920996.db2.gz CAOZSMGUSGPRPP-GFCCVEGCSA-N -1 1 348.424 2.175 20 0 EEADMM C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cncc(C(=O)[O-])c1 ZINC001604346876 1350921135 /nfs/dbraw/zinc/92/11/35/1350921135.db2.gz SWWUPAJKYNMKJY-LBPRGKRZSA-N -1 1 348.424 2.175 20 0 EEADMM C[C@H](Oc1ccc(CN[C@@](C)(CO)c2cccc(O)c2)cc1)C(=O)[O-] ZINC001604430543 1350936434 /nfs/dbraw/zinc/93/64/34/1350936434.db2.gz UGRGTRVVGKZURM-DJJJIMSYSA-N -1 1 345.395 2.241 20 0 EEADMM CCc1nc(NCCOc2ccc(C)cc2C)cc(-c2nnn[n-]2)n1 ZINC001604567762 1350962119 /nfs/dbraw/zinc/96/21/19/1350962119.db2.gz LRFWVUNEVUHLAG-UHFFFAOYSA-N -1 1 339.403 2.327 20 0 EEADMM CCc1nc(NCCOc2ccc(C)cc2C)cc(-c2nn[n-]n2)n1 ZINC001604567762 1350962121 /nfs/dbraw/zinc/96/21/21/1350962121.db2.gz LRFWVUNEVUHLAG-UHFFFAOYSA-N -1 1 339.403 2.327 20 0 EEADMM CCc1nnc(CNc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC001604581337 1350964298 /nfs/dbraw/zinc/96/42/98/1350964298.db2.gz RQWOSGKJLBUXFC-UHFFFAOYSA-N -1 1 328.814 2.003 20 0 EEADMM CCc1nnc(CNc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC001604581337 1350964299 /nfs/dbraw/zinc/96/42/99/1350964299.db2.gz RQWOSGKJLBUXFC-UHFFFAOYSA-N -1 1 328.814 2.003 20 0 EEADMM C[C@@H](C(=O)N1CCC(C)CC1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001604742319 1350995500 /nfs/dbraw/zinc/99/55/00/1350995500.db2.gz VBSCWBCZRUTVHP-HNNXBMFYSA-N -1 1 348.443 2.229 20 0 EEADMM C[C@H]1CN(C(=O)C2CCc3ccccc3CC2)CCN1CCC(=O)[O-] ZINC001604772476 1351000098 /nfs/dbraw/zinc/00/00/98/1351000098.db2.gz XVDLOMSSXQAILE-HNNXBMFYSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001604790945 1351004483 /nfs/dbraw/zinc/00/44/83/1351004483.db2.gz PFUIUBWBDIAOKH-LRDDRELGSA-N -1 1 349.406 2.003 20 0 EEADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604800867 1351008162 /nfs/dbraw/zinc/00/81/62/1351008162.db2.gz QMUBMVNWXPTYEM-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604800867 1351008166 /nfs/dbraw/zinc/00/81/66/1351008166.db2.gz QMUBMVNWXPTYEM-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604800560 1351008587 /nfs/dbraw/zinc/00/85/87/1351008587.db2.gz KDGPWOJBCJBYLK-UHFFFAOYSA-N -1 1 348.366 2.209 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604800560 1351008593 /nfs/dbraw/zinc/00/85/93/1351008593.db2.gz KDGPWOJBCJBYLK-UHFFFAOYSA-N -1 1 348.366 2.209 20 0 EEADMM CN(Cc1nc(-c2cccs2)no1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604823342 1351015441 /nfs/dbraw/zinc/01/54/41/1351015441.db2.gz DKRXMXIEQXXJHD-UHFFFAOYSA-N -1 1 340.372 2.010 20 0 EEADMM CN(Cc1nc(-c2cccs2)no1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604823342 1351015443 /nfs/dbraw/zinc/01/54/43/1351015443.db2.gz DKRXMXIEQXXJHD-UHFFFAOYSA-N -1 1 340.372 2.010 20 0 EEADMM COC(=O)[C@@H](C)CSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604902345 1351028690 /nfs/dbraw/zinc/02/86/90/1351028690.db2.gz HDOBFIXSDBAMRE-LURJTMIESA-N -1 1 347.322 2.182 20 0 EEADMM COC(=O)[C@@H](C)CSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604902345 1351028692 /nfs/dbraw/zinc/02/86/92/1351028692.db2.gz HDOBFIXSDBAMRE-LURJTMIESA-N -1 1 347.322 2.182 20 0 EEADMM COCC(C)(C)CCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001605044059 1351065299 /nfs/dbraw/zinc/06/52/99/1351065299.db2.gz LEKZXXPBILNMDO-UHFFFAOYSA-N -1 1 331.424 2.399 20 0 EEADMM COCC(C)(C)CCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001605044059 1351065304 /nfs/dbraw/zinc/06/53/04/1351065304.db2.gz LEKZXXPBILNMDO-UHFFFAOYSA-N -1 1 331.424 2.399 20 0 EEADMM CC[C@H](N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1OC ZINC001605089959 1351075809 /nfs/dbraw/zinc/07/58/09/1351075809.db2.gz OROGEAJSCQSFDH-CJNGLKHVSA-N -1 1 348.443 2.448 20 0 EEADMM COCCc1ccc(Oc2ncncc2-c2nnn[n-]2)c(Cl)c1 ZINC001605122551 1351081693 /nfs/dbraw/zinc/08/16/93/1351081693.db2.gz AAGGPCPRUHAWQN-UHFFFAOYSA-N -1 1 332.751 2.291 20 0 EEADMM COCCc1ccc(Oc2ncncc2-c2nn[n-]n2)c(Cl)c1 ZINC001605122551 1351081696 /nfs/dbraw/zinc/08/16/96/1351081696.db2.gz AAGGPCPRUHAWQN-UHFFFAOYSA-N -1 1 332.751 2.291 20 0 EEADMM COc1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c(C)c1 ZINC001605257912 1351117788 /nfs/dbraw/zinc/11/77/88/1351117788.db2.gz XOIOQQPJEAOIRE-UHFFFAOYSA-N -1 1 344.400 2.225 20 0 EEADMM COc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c(C)c1 ZINC001605257912 1351117792 /nfs/dbraw/zinc/11/77/92/1351117792.db2.gz XOIOQQPJEAOIRE-UHFFFAOYSA-N -1 1 344.400 2.225 20 0 EEADMM COc1ccc(OC)c(CCNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001605304954 1351131019 /nfs/dbraw/zinc/13/10/19/1351131019.db2.gz XIBFNAXCOPEZCH-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM COc1ccc(OC)c(CCNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001605304954 1351131022 /nfs/dbraw/zinc/13/10/22/1351131022.db2.gz XIBFNAXCOPEZCH-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM COc1cccc([C@@]2(C)CCN(c3cccnc3-c3nnn[n-]3)C2)c1 ZINC001605314920 1351134227 /nfs/dbraw/zinc/13/42/27/1351134227.db2.gz HFQKCADONUWCFU-SFHVURJKSA-N -1 1 336.399 2.438 20 0 EEADMM COc1cccc([C@@]2(C)CCN(c3cccnc3-c3nn[n-]n3)C2)c1 ZINC001605314920 1351134230 /nfs/dbraw/zinc/13/42/30/1351134230.db2.gz HFQKCADONUWCFU-SFHVURJKSA-N -1 1 336.399 2.438 20 0 EEADMM COc1cccc2c1CCN(c1snc(C)c1-c1nn[n-]n1)C2 ZINC001605324929 1351137057 /nfs/dbraw/zinc/13/70/57/1351137057.db2.gz KLDNRNYRUWONAD-UHFFFAOYSA-N -1 1 328.401 2.203 20 0 EEADMM COc1ccccc1OCCNc1nc(-c2nn[n-]n2)ccc1C ZINC001605335085 1351139488 /nfs/dbraw/zinc/13/94/88/1351139488.db2.gz JUGFLCQZWLMBSC-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ncc(NC(=O)N2CCCC[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC001605346968 1351142973 /nfs/dbraw/zinc/14/29/73/1351142973.db2.gz LBFQQAZWOBYJLY-CYBMUJFWSA-N -1 1 345.407 2.313 20 0 EEADMM CSCc1ccc(CNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605374390 1351147291 /nfs/dbraw/zinc/14/72/91/1351147291.db2.gz AGOKFNBGRYRMMT-UHFFFAOYSA-N -1 1 327.417 2.440 20 0 EEADMM CSCc1ccc(CNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605374390 1351147293 /nfs/dbraw/zinc/14/72/93/1351147293.db2.gz AGOKFNBGRYRMMT-UHFFFAOYSA-N -1 1 327.417 2.440 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCNc2ccc3ccccc3n2)n1 ZINC001605581013 1351193886 /nfs/dbraw/zinc/19/38/86/1351193886.db2.gz VYGFAUUFBVYTPR-UHFFFAOYSA-N -1 1 347.386 2.037 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCNc2ccc3ccccc3n2)n1 ZINC001605581013 1351193889 /nfs/dbraw/zinc/19/38/89/1351193889.db2.gz VYGFAUUFBVYTPR-UHFFFAOYSA-N -1 1 347.386 2.037 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)[NH2+]CCC(C)(C)C(=O)[O-])[n-]1 ZINC001605581276 1351193993 /nfs/dbraw/zinc/19/39/93/1351193993.db2.gz MIJXUPWLHWHILY-NSHDSACASA-N -1 1 340.424 2.159 20 0 EEADMM Cc1cc(C)c2c(c1)CCN(C(=O)c1cccc(-c3nnn[n-]3)n1)C2 ZINC001605643896 1351209017 /nfs/dbraw/zinc/20/90/17/1351209017.db2.gz YLFSHSLIFLIDPM-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM Cc1cc(C)c2c(c1)CCN(C(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001605643896 1351209021 /nfs/dbraw/zinc/20/90/21/1351209021.db2.gz YLFSHSLIFLIDPM-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM Cc1cccc([C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001605907590 1351251235 /nfs/dbraw/zinc/25/12/35/1351251235.db2.gz KXCLKZIWGGFOJN-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1cccc([C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001605907590 1351251237 /nfs/dbraw/zinc/25/12/37/1351251237.db2.gz KXCLKZIWGGFOJN-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001605914009 1351252700 /nfs/dbraw/zinc/25/27/00/1351252700.db2.gz UYJYLXDXPLADOJ-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001605914009 1351252702 /nfs/dbraw/zinc/25/27/02/1351252702.db2.gz UYJYLXDXPLADOJ-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C2CCCCC2)cc1 ZINC001606623277 1351333272 /nfs/dbraw/zinc/33/32/72/1351333272.db2.gz FBLZFEVJDJWWLM-UHFFFAOYSA-N -1 1 337.387 2.389 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606683242 1351341335 /nfs/dbraw/zinc/34/13/35/1351341335.db2.gz OEHNPZXUBXQRLB-ZDUSSCGKSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606683242 1351341339 /nfs/dbraw/zinc/34/13/39/1351341339.db2.gz OEHNPZXUBXQRLB-ZDUSSCGKSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(Nc1ccc2c(c1)CCO2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606928926 1351378675 /nfs/dbraw/zinc/37/86/75/1351378675.db2.gz JMNQZAOKSHHGNI-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM O=C(Nc1ccc2c(c1)CCO2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606928926 1351378677 /nfs/dbraw/zinc/37/86/77/1351378677.db2.gz JMNQZAOKSHHGNI-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM COCc1nc(NC(=O)Cc2n[nH]c3ccccc32)sc1C(=O)[O-] ZINC001606976108 1351389517 /nfs/dbraw/zinc/38/95/17/1351389517.db2.gz IHTSOOUIZBQLRT-UHFFFAOYSA-N -1 1 346.368 2.045 20 0 EEADMM COCc1nc(NC(=O)c2[nH]cnc2C(C)(C)C)sc1C(=O)[O-] ZINC001606976384 1351389737 /nfs/dbraw/zinc/38/97/37/1351389737.db2.gz OSBWMBFSOAVAHO-UHFFFAOYSA-N -1 1 338.389 2.261 20 0 EEADMM COc1c(NS(=O)(=O)C[C@H](CC(C)C)OC)cccc1C(=O)[O-] ZINC001607049798 1351403987 /nfs/dbraw/zinc/40/39/87/1351403987.db2.gz JEZHMPDSMNYUMZ-NSHDSACASA-N -1 1 345.417 2.196 20 0 EEADMM O=c1cc2c(nn1Cc1ccc(-c3nn[n-]n3)s1)-c1ccccc1C2 ZINC001607091416 1351413774 /nfs/dbraw/zinc/41/37/74/1351413774.db2.gz MXRMBFVGZCQGBZ-UHFFFAOYSA-N -1 1 348.391 2.104 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1 ZINC001607096289 1351416582 /nfs/dbraw/zinc/41/65/82/1351416582.db2.gz DQSWWUPKUMYDCI-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1cccnc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1 ZINC001607096289 1351416584 /nfs/dbraw/zinc/41/65/84/1351416584.db2.gz DQSWWUPKUMYDCI-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM c1nc(-c2nn[n-]n2)nn1-c1ncnc2sc(-c3ccccc3)cc21 ZINC001607124620 1351428942 /nfs/dbraw/zinc/42/89/42/1351428942.db2.gz VYRCSTBTQKWEQE-UHFFFAOYSA-N -1 1 347.367 2.119 20 0 EEADMM c1ccc(CCCOC2CN(c3cccnc3-c3nnn[n-]3)C2)cc1 ZINC001607128073 1351430568 /nfs/dbraw/zinc/43/05/68/1351430568.db2.gz DNQCYRFTTSHGOL-UHFFFAOYSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc(CCCOC2CN(c3cccnc3-c3nn[n-]n3)C2)cc1 ZINC001607128073 1351430569 /nfs/dbraw/zinc/43/05/69/1351430569.db2.gz DNQCYRFTTSHGOL-UHFFFAOYSA-N -1 1 336.399 2.100 20 0 EEADMM c1nc2ccccc2n1[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001607132247 1351434179 /nfs/dbraw/zinc/43/41/79/1351434179.db2.gz ZHAKJUXKBUBKRX-CYBMUJFWSA-N -1 1 332.371 2.063 20 0 EEADMM c1nc2ccccc2n1[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001607132247 1351434180 /nfs/dbraw/zinc/43/41/80/1351434180.db2.gz ZHAKJUXKBUBKRX-CYBMUJFWSA-N -1 1 332.371 2.063 20 0 EEADMM COc1cc(CC2CN(Cc3c[nH]c(C(=O)[O-])c3)C2)cc(OC)c1 ZINC001607155671 1351439247 /nfs/dbraw/zinc/43/92/47/1351439247.db2.gz VVDGKCRRVRHCPE-UHFFFAOYSA-N -1 1 330.384 2.405 20 0 EEADMM COc1ccc([C@H](NCc2ccnn2CC2CCC2)C(=O)[O-])cc1O ZINC001607234387 1351455528 /nfs/dbraw/zinc/45/55/28/1351455528.db2.gz LHVFLXKMZKOEJV-KRWDZBQOSA-N -1 1 345.399 2.313 20 0 EEADMM COc1cccc2c1CC[C@]2(N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001607334609 1351477010 /nfs/dbraw/zinc/47/70/10/1351477010.db2.gz YISFTYDNOHRPDV-MRXNPFEDSA-N -1 1 332.381 2.194 20 0 EEADMM COc1ccccc1CN(C)C(=O)CN[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001607343402 1351478685 /nfs/dbraw/zinc/47/86/85/1351478685.db2.gz BVZVKTDNMLHKRH-QUWSVYMGSA-N -1 1 348.443 2.277 20 0 EEADMM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001607551376 1351514768 /nfs/dbraw/zinc/51/47/68/1351514768.db2.gz KNHWVEVLJJGKMT-HNNXBMFYSA-N -1 1 347.459 2.294 20 0 EEADMM Cc1cc(NCc2cc(C(=O)[O-])no2)ccc1N1CCN(C)CC1 ZINC001607695977 1351541409 /nfs/dbraw/zinc/54/14/09/1351541409.db2.gz RXUBIZVMKLVBQK-UHFFFAOYSA-N -1 1 330.388 2.045 20 0 EEADMM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cnc1C(F)F ZINC001607697862 1351541564 /nfs/dbraw/zinc/54/15/64/1351541564.db2.gz VTDIUSMNQJJFPR-UHFFFAOYSA-N -1 1 349.340 2.283 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC[C@H]1C1(O)CC1 ZINC001607741306 1351550133 /nfs/dbraw/zinc/55/01/33/1351550133.db2.gz HMSPQOATPXHAQZ-HNNXBMFYSA-N -1 1 332.400 2.011 20 0 EEADMM Cc1cccc2nc(CN3CCC[C@@](O)(C4(C(=O)[O-])CCC4)C3)cn21 ZINC001607868567 1351575373 /nfs/dbraw/zinc/57/53/73/1351575373.db2.gz ONVULVOKCIUMRF-IBGZPJMESA-N -1 1 343.427 2.225 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)ccc1F ZINC000024425371 1352366687 /nfs/dbraw/zinc/36/66/87/1352366687.db2.gz JMEGJIUHBHBLPZ-UHFFFAOYSA-N -1 1 335.316 2.201 20 0 EEADMM CCC(CC)(NC(=O)Cn1ccc2ccc(F)cc21)c1nn[n-]n1 ZINC001623446015 1352397197 /nfs/dbraw/zinc/39/71/97/1352397197.db2.gz RDXHACDAFHYLQY-UHFFFAOYSA-N -1 1 330.367 2.125 20 0 EEADMM O=C(NC[C@H](c1nc[nH]n1)c1ccccc1)c1cc(F)cc(F)c1[O-] ZINC001635399454 1352644879 /nfs/dbraw/zinc/64/48/79/1352644879.db2.gz JPQGCJWOAPHYSG-ZDUSSCGKSA-N -1 1 344.321 2.350 20 0 EEADMM CCC(CC)(NC(=O)c1cnc2cc(OC)ccc2c1)c1nn[n-]n1 ZINC001635935784 1352655590 /nfs/dbraw/zinc/65/55/90/1352655590.db2.gz AQMUZLKKXCDLKU-UHFFFAOYSA-N -1 1 340.387 2.202 20 0 EEADMM Cn1c2ccc(NC(=O)CCCc3nn[n-]n3)cc2nc1C(C)(C)C ZINC001637951229 1352682781 /nfs/dbraw/zinc/68/27/81/1352682781.db2.gz HJFJGAMQCFYEBB-UHFFFAOYSA-N -1 1 341.419 2.345 20 0 EEADMM Cc1ccc(-c2c[nH]cc2C(=O)NCc2nc([O-])cc(=O)[nH]2)s1 ZINC001647868732 1353406583 /nfs/dbraw/zinc/40/65/83/1353406583.db2.gz WXMDJWHDIOTNIS-UHFFFAOYSA-N -1 1 330.369 2.183 20 0 EEADMM O=C(NCc1ccc(F)cn1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001663807961 1355036347 /nfs/dbraw/zinc/03/63/47/1355036347.db2.gz KMIDVVOOMDYXFN-UHFFFAOYSA-N -1 1 327.319 2.434 20 0 EEADMM CCn1c(CNC(=O)Nc2ccc([S@](C)=O)cc2)n[n-]c1=S ZINC000081635877 1355470879 /nfs/dbraw/zinc/47/08/79/1355470879.db2.gz FEQCTIJRWXXORQ-JOCHJYFZSA-N -1 1 339.446 2.020 20 0 EEADMM O=C(Cn1cc(C2CC2)cn1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000849974807 1367115627 /nfs/dbraw/zinc/11/56/27/1367115627.db2.gz OLYDDJBKRUATOV-UHFFFAOYSA-N -1 1 340.335 2.316 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CC(C)(C)C2CC2)cc1 ZINC000815469112 1368012839 /nfs/dbraw/zinc/01/28/39/1368012839.db2.gz XPMCRUZZWNPGCU-UHFFFAOYSA-N -1 1 333.384 2.321 20 0 EEADMM O=C([N-]c1noc2nccnc12)c1ccc(OC(F)(F)F)cn1 ZINC001192839314 1368429314 /nfs/dbraw/zinc/42/93/14/1368429314.db2.gz HCRIMMYILPZWQJ-UHFFFAOYSA-N -1 1 325.206 2.164 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)cc(C(=O)OC)c1O ZINC001195487771 1368542088 /nfs/dbraw/zinc/54/20/88/1368542088.db2.gz ZXUWVESNVZFSOR-UHFFFAOYSA-N -1 1 332.765 2.275 20 0 EEADMM CCC(C)(CC)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001488130721 1368743157 /nfs/dbraw/zinc/74/31/57/1368743157.db2.gz WHEBAOIXFBQHLI-CHWSQXEVSA-N -1 1 333.432 2.333 20 0 EEADMM O=C1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201275649 1368801418 /nfs/dbraw/zinc/80/14/18/1368801418.db2.gz CGDGOCGYTCXHGU-QMMMGPOBSA-N -1 1 344.216 2.443 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H]1CCc2cccnc21 ZINC001201767070 1368840806 /nfs/dbraw/zinc/84/08/06/1368840806.db2.gz LJLPWUMXFCMKAE-VIFPVBQESA-N -1 1 329.834 2.466 20 0 EEADMM CC(C)(C(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccccc1 ZINC000006467500 1369150619 /nfs/dbraw/zinc/15/06/19/1369150619.db2.gz VJCANCLNAFACBT-UHFFFAOYSA-N -1 1 325.364 2.464 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](N2CCOC2=O)C1 ZINC000855510327 1369393537 /nfs/dbraw/zinc/39/35/37/1369393537.db2.gz NTCFRACJJODQTL-CYBMUJFWSA-N -1 1 326.352 2.212 20 0 EEADMM COC(=O)CCN(Cn1[n-]c(-c2ccccn2)nc1=S)C(C)C ZINC000117320295 1369460944 /nfs/dbraw/zinc/46/09/44/1369460944.db2.gz LZYGKESHQUSJKZ-UHFFFAOYSA-N -1 1 335.433 2.234 20 0 EEADMM COc1cncc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000799123104 1371630804 /nfs/dbraw/zinc/63/08/04/1371630804.db2.gz NOBLERATJRFHMA-UHFFFAOYSA-N -1 1 348.359 2.216 20 0 EEADMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000830545140 1372334934 /nfs/dbraw/zinc/33/49/34/1372334934.db2.gz RTMMAARWRDAFDA-QGZVFWFLSA-N -1 1 329.896 2.227 20 0 EEADMM CCCc1[nH]ccc1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830794845 1372349865 /nfs/dbraw/zinc/34/98/65/1372349865.db2.gz CXZZSKJQUZAMNP-AWEZNQCLSA-N -1 1 331.338 2.250 20 0 EEADMM CC[C@@H](COCC(F)(F)F)NC(=O)c1nnc2ccccc2c1O ZINC000833434578 1372519531 /nfs/dbraw/zinc/51/95/31/1372519531.db2.gz SDEHIIPBAXGRQR-VIFPVBQESA-N -1 1 343.305 2.423 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC2CCN(C=O)CC2)c1 ZINC000834896430 1372573813 /nfs/dbraw/zinc/57/38/13/1372573813.db2.gz WFIARQCXKYQIFN-UHFFFAOYSA-N -1 1 343.349 2.206 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCCCC2(F)F)o1 ZINC000835638358 1372644266 /nfs/dbraw/zinc/64/42/66/1372644266.db2.gz OEPWAXKDJOBLPG-VIFPVBQESA-N -1 1 337.344 2.170 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@H]2CCOC[C@@H]2C)c(=O)[n-]1 ZINC000835781885 1372655690 /nfs/dbraw/zinc/65/56/90/1372655690.db2.gz NLPMQAMCSKSURI-CABZTGNLSA-N -1 1 326.418 2.113 20 0 EEADMM O=C([O-])[C@H]1C=C[C@H](NCc2cn3ccc(Br)cc3n2)C1 ZINC001353944592 1373041450 /nfs/dbraw/zinc/04/14/50/1373041450.db2.gz HRFAPSASNGEBBD-ONGXEEELSA-N -1 1 336.189 2.216 20 0 EEADMM COc1ccc(NC(=O)c2ccc(Cl)[nH]2)cc1[N-]S(C)(=O)=O ZINC001361785895 1373336899 /nfs/dbraw/zinc/33/68/99/1373336899.db2.gz YGSCMEZVRGQRGY-UHFFFAOYSA-N -1 1 343.792 2.301 20 0 EEADMM CCC(CC)(NC(=O)c1cccc([C@H]2CCOC2)c1)c1nn[n-]n1 ZINC001362423011 1373406163 /nfs/dbraw/zinc/40/61/63/1373406163.db2.gz JKCAUWBMGCECMM-AWEZNQCLSA-N -1 1 329.404 2.149 20 0 EEADMM Cc1ccc(CNC(=O)c2ccc([O-])cn2)c(OC[C@@H]2CCOC2)c1 ZINC001362467468 1373417118 /nfs/dbraw/zinc/41/71/18/1373417118.db2.gz LABJUPMUEWNBLJ-CQSZACIVSA-N -1 1 342.395 2.441 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NC[C@@H](C)c2c(C)noc2C)c1 ZINC001364808370 1373619866 /nfs/dbraw/zinc/61/98/66/1373619866.db2.gz YPSDLRQMDJKSAF-SECBINFHSA-N -1 1 340.401 2.088 20 0 EEADMM CCC1(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001372834343 1376235427 /nfs/dbraw/zinc/23/54/27/1376235427.db2.gz MCPCZWBMXJVRHH-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001390113573 1388443667 /nfs/dbraw/zinc/44/36/67/1388443667.db2.gz PGJYFPUAQNINKG-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374282134 1376643269 /nfs/dbraw/zinc/64/32/69/1376643269.db2.gz KTISRYGKKNJAHI-DOTOQJQBSA-N -1 1 347.459 2.140 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1C(C)(C)C1(C)C ZINC001375060977 1377329521 /nfs/dbraw/zinc/32/95/21/1377329521.db2.gz RJROSAQARXCUHE-NSHDSACASA-N -1 1 333.432 2.094 20 0 EEADMM Cc1cccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])c1Cl ZINC001377242259 1379067184 /nfs/dbraw/zinc/06/71/84/1379067184.db2.gz BFNIWGGWIRXKCG-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)NC(=O)CC1(C)CC1 ZINC001377827088 1379535221 /nfs/dbraw/zinc/53/52/21/1379535221.db2.gz XMYHHNOLQWLGDC-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC001377879365 1379556454 /nfs/dbraw/zinc/55/64/54/1379556454.db2.gz XYYCUABVKTUTCQ-CQSZACIVSA-N -1 1 344.459 2.330 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(CC)CC1 ZINC001381101953 1381513724 /nfs/dbraw/zinc/51/37/24/1381513724.db2.gz HVZQLHNGMOGOQY-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CN(CC(C)(C)CNC(=O)C1CC(C)(C)C1)C(=O)c1ncccc1[O-] ZINC001382850438 1382239622 /nfs/dbraw/zinc/23/96/22/1382239622.db2.gz PAJYYOVYLKBQNO-UHFFFAOYSA-N -1 1 347.459 2.438 20 0 EEADMM CCC[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001383590087 1382581323 /nfs/dbraw/zinc/58/13/23/1382581323.db2.gz AHMYUJQWHBVANY-GXTWGEPZSA-N -1 1 333.432 2.190 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001384150359 1382823510 /nfs/dbraw/zinc/82/35/10/1382823510.db2.gz UDFSRXNHMGYRMO-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(CCC1CCCC1)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385668129 1385757659 /nfs/dbraw/zinc/75/76/59/1385757659.db2.gz FDWXJQVTOHWOMN-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@H](CC)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385864806 1385878097 /nfs/dbraw/zinc/87/80/97/1385878097.db2.gz HJMRCLWDHSNCOZ-JSGCOSHPSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](NC(=O)C(C)(C)C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386463893 1386154077 /nfs/dbraw/zinc/15/40/77/1386154077.db2.gz NANIFICJKCESKX-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001387080023 1386484310 /nfs/dbraw/zinc/48/43/10/1386484310.db2.gz LFJHNRZHHMEIDJ-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM CCC1(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)CCC1 ZINC001391583431 1389453896 /nfs/dbraw/zinc/45/38/96/1389453896.db2.gz NLPSERRPZBHHHC-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001396812627 1390972712 /nfs/dbraw/zinc/97/27/12/1390972712.db2.gz KURKSWWCKVDVOU-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM O=C(C=C1CCCCC1)NCCC[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753022684 1406598712 /nfs/dbraw/zinc/59/87/12/1406598712.db2.gz OXPBEEKSLHVKNZ-OAHLLOKOSA-N -1 1 347.463 2.262 20 0 EEADMM O=C(NC[C@H](NC(=O)C1CCC1)C1CCCCC1)c1ncccc1[O-] ZINC001399470629 1395131533 /nfs/dbraw/zinc/13/15/33/1395131533.db2.gz RWCCJQTZMILULV-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc(C)c(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)c1 ZINC001400552256 1396423849 /nfs/dbraw/zinc/42/38/49/1396423849.db2.gz ONZAFZBKMLOHQO-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM C[C@]1(CNC(=O)c2ccccc2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400953478 1396758982 /nfs/dbraw/zinc/75/89/82/1396758982.db2.gz CJHNETHVIUDFTI-LJQANCHMSA-N -1 1 339.395 2.069 20 0 EEADMM CN(C(=O)C1CCCCCCC1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001422988388 1400328438 /nfs/dbraw/zinc/32/84/38/1400328438.db2.gz YYLIIYQBALMUFU-OAHLLOKOSA-N -1 1 349.479 2.197 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)c1ccsc1 ZINC001423987926 1400851899 /nfs/dbraw/zinc/85/18/99/1400851899.db2.gz SHJORPHEXMMDMK-UHFFFAOYSA-N -1 1 347.440 2.377 20 0 EEADMM C[C@@H](CNC(=O)C1(F)CCCCC1)N(C)C(=O)c1ncccc1[O-] ZINC001424300346 1401035545 /nfs/dbraw/zinc/03/55/45/1401035545.db2.gz KRRKSQNMMFVXJO-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001426336300 1402045743 /nfs/dbraw/zinc/04/57/43/1402045743.db2.gz NOJXZSAVQHUDIX-RBSFLKMASA-N -1 1 347.459 2.436 20 0 EEADMM O=C(CCC1CC1)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001426564376 1402100091 /nfs/dbraw/zinc/10/00/91/1402100091.db2.gz PFYMVECLKGKGOJ-CABCVRRESA-N -1 1 343.427 2.135 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])c(C)c1 ZINC001432963491 1403337828 /nfs/dbraw/zinc/33/78/28/1403337828.db2.gz PRZYIOUFNWETHV-CYBMUJFWSA-N -1 1 341.411 2.200 20 0 EEADMM O=C(CCCc1nn[n-]n1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC001570077638 1403509755 /nfs/dbraw/zinc/50/97/55/1403509755.db2.gz UJLKJBUQEYYYHR-UHFFFAOYSA-N -1 1 341.371 2.050 20 0 EEADMM CCC(=O)N1CCC([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576414983 1403573209 /nfs/dbraw/zinc/57/32/09/1403573209.db2.gz GFOFPCSWWCRNEM-VIFPVBQESA-N -1 1 349.464 2.081 20 0 EEADMM CCCCC(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577404125 1403647456 /nfs/dbraw/zinc/64/74/56/1403647456.db2.gz YFKQMHSYNXOVRR-UHFFFAOYSA-N -1 1 349.464 2.225 20 0 EEADMM CCN(CCC1CC1)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577911585 1403693682 /nfs/dbraw/zinc/69/36/82/1403693682.db2.gz GWDWNIQIIMNVQU-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM CCN(CCC1CC1)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577911585 1403693689 /nfs/dbraw/zinc/69/36/89/1403693689.db2.gz GWDWNIQIIMNVQU-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM COc1ccc(Cl)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001580033144 1403812177 /nfs/dbraw/zinc/81/21/77/1403812177.db2.gz ZUEJKAKXQIGTKF-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(Cl)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001580033144 1403812188 /nfs/dbraw/zinc/81/21/88/1403812188.db2.gz ZUEJKAKXQIGTKF-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1cccc2c1CC[C@H]2OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001580075279 1403821421 /nfs/dbraw/zinc/82/14/21/1403821421.db2.gz WLFNJJKOYSWAJK-GFCCVEGCSA-N -1 1 326.312 2.313 20 0 EEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001581204853 1403877485 /nfs/dbraw/zinc/87/74/85/1403877485.db2.gz LOGNDDYYKNSAEZ-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(Cl)ccc2C)c1-c1nnn[n-]1 ZINC001581201820 1403877614 /nfs/dbraw/zinc/87/76/14/1403877614.db2.gz VEPSZUYXYMYFON-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(Cl)ccc2C)c1-c1nn[n-]n1 ZINC001581201820 1403877618 /nfs/dbraw/zinc/87/76/18/1403877618.db2.gz VEPSZUYXYMYFON-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590499924 1403881571 /nfs/dbraw/zinc/88/15/71/1403881571.db2.gz NHDZNLVYXGIPDH-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590499924 1403881574 /nfs/dbraw/zinc/88/15/74/1403881574.db2.gz NHDZNLVYXGIPDH-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM COc1cccc(C(C)(C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001591638145 1403931282 /nfs/dbraw/zinc/93/12/82/1403931282.db2.gz JTAQSYGIYMGKEB-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM COc1cccc(C(C)(C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001591638145 1403931288 /nfs/dbraw/zinc/93/12/88/1403931288.db2.gz JTAQSYGIYMGKEB-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM Cc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591977599 1403977872 /nfs/dbraw/zinc/97/78/72/1403977872.db2.gz SYYUGPMQSDAPEG-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591977599 1403977879 /nfs/dbraw/zinc/97/78/79/1403977879.db2.gz SYYUGPMQSDAPEG-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1cc(Cl)ccc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001591977568 1403979229 /nfs/dbraw/zinc/97/92/29/1403979229.db2.gz SHAQHIVEEQJQCD-UHFFFAOYSA-N -1 1 330.779 2.050 20 0 EEADMM Cc1cc(N2CCc3c(F)ccc(F)c3C2)cc(-c2nnn[n-]2)n1 ZINC001592009776 1403983482 /nfs/dbraw/zinc/98/34/82/1403983482.db2.gz RAUHJSQYSINCHB-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1cc(N2CCc3c(F)ccc(F)c3C2)cc(-c2nn[n-]n2)n1 ZINC001592009776 1403983488 /nfs/dbraw/zinc/98/34/88/1403983488.db2.gz RAUHJSQYSINCHB-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC001592481654 1404701570 /nfs/dbraw/zinc/70/15/70/1404701570.db2.gz FZARZOUITAEHDP-DTWKUNHWSA-N -1 1 332.414 2.435 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC001592481654 1404701578 /nfs/dbraw/zinc/70/15/78/1404701578.db2.gz FZARZOUITAEHDP-DTWKUNHWSA-N -1 1 332.414 2.435 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1c1cccn1C ZINC001592498812 1404703388 /nfs/dbraw/zinc/70/33/88/1404703388.db2.gz BLWYAZFHHJLERR-ZDUSSCGKSA-N -1 1 326.360 2.084 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1c1cccn1C ZINC001592498812 1404703392 /nfs/dbraw/zinc/70/33/92/1404703392.db2.gz BLWYAZFHHJLERR-ZDUSSCGKSA-N -1 1 326.360 2.084 20 0 EEADMM O=C(NCC1=CCCC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593021686 1404733018 /nfs/dbraw/zinc/73/30/18/1404733018.db2.gz ODKAELZNGPXYAI-UHFFFAOYSA-N -1 1 338.293 2.121 20 0 EEADMM Cc1nsc(NC(=O)C2CC3(CC3(F)F)C2)c1-c1nnn[n-]1 ZINC001606149549 1404769250 /nfs/dbraw/zinc/76/92/50/1404769250.db2.gz VEFGBVNCBYCTEB-UHFFFAOYSA-N -1 1 326.332 2.006 20 0 EEADMM Cc1nsc(NC(=O)C2CC3(CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001606149549 1404769256 /nfs/dbraw/zinc/76/92/56/1404769256.db2.gz VEFGBVNCBYCTEB-UHFFFAOYSA-N -1 1 326.332 2.006 20 0 EEADMM Clc1ccc(NCCc2ccc3c(c2)OCO3)nc1-c1nnn[n-]1 ZINC001606193762 1404776629 /nfs/dbraw/zinc/77/66/29/1404776629.db2.gz VJGIKVRMEYVOOU-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Clc1ccc(NCCc2ccc3c(c2)OCO3)nc1-c1nn[n-]n1 ZINC001606193762 1404776636 /nfs/dbraw/zinc/77/66/36/1404776636.db2.gz VJGIKVRMEYVOOU-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Fc1cc(CNc2ccnc(C3CC3)n2)cc(F)c1-c1nnn[n-]1 ZINC001606310611 1404785647 /nfs/dbraw/zinc/78/56/47/1404785647.db2.gz VNNGICKMGVQCQQ-UHFFFAOYSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(CNc2ccnc(C3CC3)n2)cc(F)c1-c1nn[n-]n1 ZINC001606310611 1404785653 /nfs/dbraw/zinc/78/56/53/1404785653.db2.gz VNNGICKMGVQCQQ-UHFFFAOYSA-N -1 1 329.314 2.424 20 0 EEADMM CNc1ccc(Cl)c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001606310867 1404786279 /nfs/dbraw/zinc/78/62/79/1404786279.db2.gz CAYUKQROAKIZNA-LLVKDONJSA-N -1 1 339.823 2.003 20 0 EEADMM Fc1ccccc1CC1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001606335204 1404795792 /nfs/dbraw/zinc/79/57/92/1404795792.db2.gz ACFXETHLDNCBQA-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=c1[n-]c(C2CC2)ncc1-c1nnc(N2CCCC2)n1CC1CC1 ZINC001772400868 1410169302 /nfs/dbraw/zinc/16/93/02/1410169302.db2.gz ZBEPAVZDGBVUPL-UHFFFAOYSA-N -1 1 326.404 2.328 20 0 EEADMM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001772457213 1410196798 /nfs/dbraw/zinc/19/67/98/1410196798.db2.gz DYYMOFQVIRWEDH-JQWIXIFHSA-N -1 1 347.806 2.078 20 0 EEADMM [O-]c1ccc(CN2CCn3nc(C(F)(F)F)nc3C2)c(F)c1F ZINC001140889837 764559866 /nfs/dbraw/zinc/55/98/66/764559866.db2.gz MGTXHUVAMUARLD-UHFFFAOYSA-N -1 1 334.248 2.297 20 0 EEADMM CC1(CC(=O)NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001060715964 769091291 /nfs/dbraw/zinc/09/12/91/769091291.db2.gz RQTRHKZLBVJBJO-HDJSIYSDSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)c1cnc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027841629 773389742 /nfs/dbraw/zinc/38/97/42/773389742.db2.gz JLKKHUXWUWBIPG-CYBMUJFWSA-N -1 1 344.415 2.293 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000938569826 774138781 /nfs/dbraw/zinc/13/87/81/774138781.db2.gz RBVXSQWHWYKUKL-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c1Cl ZINC000068838753 774965991 /nfs/dbraw/zinc/96/59/91/774965991.db2.gz VYKOCKNIBGYIIF-UHFFFAOYSA-N -1 1 336.804 2.100 20 0 EEADMM CC(C)Oc1cccc([N-]S(=O)(=O)c2cncc(N)c2)c1F ZINC001212321824 775729557 /nfs/dbraw/zinc/72/95/57/775729557.db2.gz QMDIKPOTLJNMTK-UHFFFAOYSA-N -1 1 325.365 2.391 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832393 779377731 /nfs/dbraw/zinc/37/77/31/779377731.db2.gz FRBWNVSCPPQJNT-HUUCEWRRSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)n1c(CCNC(=O)c2cc(-c3ccco3)n[nH]2)n[n-]c1=S ZINC000067073794 780517926 /nfs/dbraw/zinc/51/79/26/780517926.db2.gz UUSBEKQIHOFOIH-UHFFFAOYSA-N -1 1 346.416 2.477 20 0 EEADMM O=C(COc1ccc(F)cc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078804 780549988 /nfs/dbraw/zinc/54/99/88/780549988.db2.gz OIQNKMHKALLUDJ-UHFFFAOYSA-N -1 1 336.392 2.152 20 0 EEADMM Cc1nc(C)c(F)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167936261 780998738 /nfs/dbraw/zinc/99/87/38/780998738.db2.gz YBFPMYCWEHHSSH-UHFFFAOYSA-N -1 1 337.291 2.317 20 0 EEADMM O=C(NNc1ccc(Br)c(F)c1)c1ncccc1[O-] ZINC000184514590 783306348 /nfs/dbraw/zinc/30/63/48/783306348.db2.gz LQRNJVWSIOKLLD-UHFFFAOYSA-N -1 1 326.125 2.446 20 0 EEADMM Cc1nc(C)c(CC(=O)OC(C(F)(F)F)C(F)(F)F)c(=O)[n-]1 ZINC000816221193 783792222 /nfs/dbraw/zinc/79/22/22/783792222.db2.gz DOEUGYLTWRQOQO-UHFFFAOYSA-N -1 1 332.200 2.378 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945337510 783870065 /nfs/dbraw/zinc/87/00/65/783870065.db2.gz MFBNHFWWIVICCM-KGLIPLIRSA-N -1 1 347.459 2.436 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945615041 784510826 /nfs/dbraw/zinc/51/08/26/784510826.db2.gz ADGHHQNRMOLERI-OLZOCXBDSA-N -1 1 349.406 2.408 20 0 EEADMM CCOC(=O)CCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817294944 784661241 /nfs/dbraw/zinc/66/12/41/784661241.db2.gz UCBJOZBORZOVIY-GFCCVEGCSA-N -1 1 344.333 2.049 20 0 EEADMM COC(=O)C12CC(C(=O)Nc3cccc([O-])c3Br)(C1)C2 ZINC000908707815 785660712 /nfs/dbraw/zinc/66/07/12/785660712.db2.gz LEHVKKKMHLRPRX-UHFFFAOYSA-N -1 1 340.173 2.437 20 0 EEADMM CC[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CC1 ZINC000908746775 785685953 /nfs/dbraw/zinc/68/59/53/785685953.db2.gz DVENNGMPPRAJQE-CABCVRRESA-N -1 1 349.431 2.454 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NCCN1CCc2ccccc2C1)C1CCC1 ZINC000908809204 785741861 /nfs/dbraw/zinc/74/18/61/785741861.db2.gz RFDSHDGIENZDNC-CQSZACIVSA-N -1 1 345.443 2.082 20 0 EEADMM CCC(CC)(NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908818824 785754640 /nfs/dbraw/zinc/75/46/40/785754640.db2.gz IHNWHULPNSYNSB-AWEZNQCLSA-N -1 1 339.411 2.371 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1ccco1)N(CC)CC)C(=O)[O-] ZINC000908876157 785814719 /nfs/dbraw/zinc/81/47/19/785814719.db2.gz QMBMCAQWCVPSHE-QFVHEQCKSA-N -1 1 337.420 2.381 20 0 EEADMM CSc1nc(C)c(CCC(=O)NCCCCCC(C)=O)c(=O)[n-]1 ZINC000909081350 785983950 /nfs/dbraw/zinc/98/39/50/785983950.db2.gz MYIOUDUTHSQOEY-UHFFFAOYSA-N -1 1 339.461 2.411 20 0 EEADMM CCC(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996146647 786084463 /nfs/dbraw/zinc/08/44/63/786084463.db2.gz ZJZQYUMYVWYPGZ-RDBSUJKOSA-N -1 1 331.416 2.085 20 0 EEADMM CCN(C)[C@@H](C(=O)N1CCC[C@](COC)(C(=O)[O-])C1)c1ccccc1 ZINC000909710778 786188247 /nfs/dbraw/zinc/18/82/47/786188247.db2.gz XFJDZYWBKRTIHH-APWZRJJASA-N -1 1 348.443 2.019 20 0 EEADMM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)CN2CCC(C)CC2)c1 ZINC000909820142 786276300 /nfs/dbraw/zinc/27/63/00/786276300.db2.gz SXVBPSPRAQRQNV-LJQANCHMSA-N -1 1 348.443 2.233 20 0 EEADMM C[C@H](NC(=O)CN1CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909823419 786280212 /nfs/dbraw/zinc/28/02/12/786280212.db2.gz OPECLMOGAOLDOL-RDJZCZTQSA-N -1 1 332.444 2.167 20 0 EEADMM O=C(COC(=O)c1cc(Cl)cc(Cl)c1[O-])N1CCCC1=O ZINC000909862223 786318523 /nfs/dbraw/zinc/31/85/23/786318523.db2.gz AWZNUMVBUVAERD-UHFFFAOYSA-N -1 1 332.139 2.005 20 0 EEADMM CCN(CC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000910071865 786431786 /nfs/dbraw/zinc/43/17/86/786431786.db2.gz YNRRCCFPAHRQIO-SFHVURJKSA-N -1 1 340.423 2.436 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCc3cccnc32)c1 ZINC000820780603 786455317 /nfs/dbraw/zinc/45/53/17/786455317.db2.gz WSQLTAFKMPFSFD-CMJOXMDJSA-N -1 1 331.393 2.429 20 0 EEADMM O=C([O-])C[C@H]1CN(C(=O)CCCCc2cn[nH]n2)c2ccccc21 ZINC000910365242 786694605 /nfs/dbraw/zinc/69/46/05/786694605.db2.gz UYONSTJIMPOBRJ-LBPRGKRZSA-N -1 1 328.372 2.123 20 0 EEADMM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(CN(C)C)nc2)c1 ZINC000910370817 786700469 /nfs/dbraw/zinc/70/04/69/786700469.db2.gz SWJRXFJNLYEYKY-QGZVFWFLSA-N -1 1 341.411 2.397 20 0 EEADMM CCc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821486553 786783304 /nfs/dbraw/zinc/78/33/04/786783304.db2.gz GECAIBZKBOAMCT-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821608684 786823220 /nfs/dbraw/zinc/82/32/20/786823220.db2.gz QJRHXAUCOVDMOX-UHFFFAOYSA-N -1 1 334.339 2.280 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821608684 786823225 /nfs/dbraw/zinc/82/32/25/786823225.db2.gz QJRHXAUCOVDMOX-UHFFFAOYSA-N -1 1 334.339 2.280 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC000910504525 786842680 /nfs/dbraw/zinc/84/26/80/786842680.db2.gz WSBFOZOOXHIRSD-AWEZNQCLSA-N -1 1 325.368 2.113 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN1C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000910505783 786842903 /nfs/dbraw/zinc/84/29/03/786842903.db2.gz LZLAYJYIMYKVDI-KXBFYZLASA-N -1 1 330.428 2.321 20 0 EEADMM COc1ccccc1[C@@](N)(C(=O)[N-]C1=NC[C@H](C)S1)C(F)(F)F ZINC000822481129 787227184 /nfs/dbraw/zinc/22/71/84/787227184.db2.gz JMYQJZQZDUIUJX-ISVAXAHUSA-N -1 1 347.362 2.019 20 0 EEADMM Cc1nc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1C(=O)[O-] ZINC000911100238 787242543 /nfs/dbraw/zinc/24/25/43/787242543.db2.gz IIQZUNQQHJGVEH-ZDUSSCGKSA-N -1 1 333.413 2.182 20 0 EEADMM O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000911155128 787276365 /nfs/dbraw/zinc/27/63/65/787276365.db2.gz QMIWPQCYXOPBSR-QMMMGPOBSA-N -1 1 347.198 2.434 20 0 EEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000911155128 787276373 /nfs/dbraw/zinc/27/63/73/787276373.db2.gz QMIWPQCYXOPBSR-QMMMGPOBSA-N -1 1 347.198 2.434 20 0 EEADMM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(F)(F)F ZINC000911161155 787280059 /nfs/dbraw/zinc/28/00/59/787280059.db2.gz KXNAWYHOADCGMT-RYUDHWBXSA-N -1 1 336.354 2.305 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCCCC[C@H]2c2ccncc2)C1 ZINC000911234167 787341961 /nfs/dbraw/zinc/34/19/61/787341961.db2.gz LISBMXLYZYBBOC-IRXDYDNUSA-N -1 1 345.443 2.322 20 0 EEADMM O=C(CSCc1nc2ccccc2[nH]1)N[N-]C(=O)c1cccs1 ZINC000028775712 787941098 /nfs/dbraw/zinc/94/10/98/787941098.db2.gz QLJADHJNEIXUIP-UHFFFAOYSA-N -1 1 346.437 2.319 20 0 EEADMM COCCN(CCC(=O)OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000325417093 788055016 /nfs/dbraw/zinc/05/50/16/788055016.db2.gz MRNPEIRUQIVWSN-UHFFFAOYSA-N -1 1 331.368 2.197 20 0 EEADMM CSCC[C@H](NC(=O)c1ccccc1OC1CCC1)c1nn[n-]n1 ZINC000912861556 788422410 /nfs/dbraw/zinc/42/24/10/788422410.db2.gz PUNJXORKVVCNKK-ZDUSSCGKSA-N -1 1 347.444 2.355 20 0 EEADMM CSCC[C@H](NC(=O)C1(Cc2ccccc2F)CC1)c1nn[n-]n1 ZINC000912861914 788424007 /nfs/dbraw/zinc/42/40/07/788424007.db2.gz BUAOZYOXQLLRNA-ZDUSSCGKSA-N -1 1 349.435 2.272 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(Cc2cncs2)CC1 ZINC000913415453 788859843 /nfs/dbraw/zinc/85/98/43/788859843.db2.gz REIBSINKZPKNPS-UHFFFAOYSA-N -1 1 337.832 2.460 20 0 EEADMM Cc1nc(C)c(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)[nH]1 ZINC000913481839 788931952 /nfs/dbraw/zinc/93/19/52/788931952.db2.gz BAUKNKLJWOOISO-UHFFFAOYSA-N -1 1 348.834 2.344 20 0 EEADMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000923469789 789624153 /nfs/dbraw/zinc/62/41/53/789624153.db2.gz GIEAGZLNNFIUEK-OAHLLOKOSA-N -1 1 325.796 2.250 20 0 EEADMM O=C(CSc1nnc(C2CC2)s1)N[N-]C(=O)c1cccs1 ZINC000074796945 789695451 /nfs/dbraw/zinc/69/54/51/789695451.db2.gz AUTGQMPGMIIOMK-UHFFFAOYSA-N -1 1 340.455 2.030 20 0 EEADMM O=C([N-]CCCOC(=O)c1cn(-c2ccccc2)cn1)C(F)(F)F ZINC000845413291 789759473 /nfs/dbraw/zinc/75/94/73/789759473.db2.gz CROQRKQGCYEUNR-UHFFFAOYSA-N -1 1 341.289 2.098 20 0 EEADMM CCc1cc2c(COC(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)cc(=O)oc2cc1[O-] ZINC000923586333 789829334 /nfs/dbraw/zinc/82/93/34/789829334.db2.gz PTOFIYBHEJUKHI-HWOJHCLVSA-N -1 1 342.347 2.329 20 0 EEADMM Cc1ccc(CN2CC(NC(=O)c3ncccc3[O-])C2)c(Cl)c1 ZINC001030242429 789866213 /nfs/dbraw/zinc/86/62/13/789866213.db2.gz SSCMZLVQRAFKJN-UHFFFAOYSA-N -1 1 331.803 2.363 20 0 EEADMM C[C@@H](c1ccc(F)cc1F)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030243801 789875396 /nfs/dbraw/zinc/87/53/96/789875396.db2.gz RSXAURZFWBCRHV-JTQLQIEISA-N -1 1 333.338 2.241 20 0 EEADMM O=C(c1ccco1)N1C[C@@H]2CN(Cc3c(F)cc([O-])cc3F)C[C@H]2C1 ZINC001144550611 789932281 /nfs/dbraw/zinc/93/22/81/789932281.db2.gz SJTWETKUUVTJHL-RYUDHWBXSA-N -1 1 348.349 2.467 20 0 EEADMM CC1(C)CC(CC(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)C1 ZINC000947927085 790234498 /nfs/dbraw/zinc/23/44/98/790234498.db2.gz XRRWLWKYWCWSSA-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(Cc1nc([N-]C(=O)c2cc(C3CC3)on2)n[nH]1)c1ccccc1 ZINC001146917509 791598832 /nfs/dbraw/zinc/59/88/32/791598832.db2.gz MPPPSZBSOOAMFW-UHFFFAOYSA-N -1 1 337.339 2.348 20 0 EEADMM C[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Cc1cccs1 ZINC000173448140 791856874 /nfs/dbraw/zinc/85/68/74/791856874.db2.gz URMVKZRELYNXIJ-VIFPVBQESA-N -1 1 333.866 2.292 20 0 EEADMM Cc1ccc2nc(C(=O)NCCCC[P@](=O)([O-])O)sc2c1 ZINC001147562198 791870100 /nfs/dbraw/zinc/87/01/00/791870100.db2.gz AYYUIABLXHJBRI-UHFFFAOYSA-N -1 1 328.330 2.292 20 0 EEADMM COc1cc2[nH]ccc2c(NC(=O)c2c([O-])c(C)ncc2CO)c1 ZINC001147842760 792000401 /nfs/dbraw/zinc/00/04/01/792000401.db2.gz LYRSANABWWTMJG-UHFFFAOYSA-N -1 1 327.340 2.330 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)C1 ZINC001064055939 792220261 /nfs/dbraw/zinc/22/02/61/792220261.db2.gz IJANQHPTPGZMKF-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064332306 792868475 /nfs/dbraw/zinc/86/84/75/792868475.db2.gz QSQQHOCBBSYFHH-UGSOOPFHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)c2ncccc2[O-])on1 ZINC001089163905 793003001 /nfs/dbraw/zinc/00/30/01/793003001.db2.gz BTOHAZPGKJEOTE-AWEZNQCLSA-N -1 1 344.415 2.210 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421811 793059564 /nfs/dbraw/zinc/05/95/64/793059564.db2.gz VWDUUQFPHSQQLR-SCLBCKFNSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867028858 793181720 /nfs/dbraw/zinc/18/17/20/793181720.db2.gz ZFEHGRHHCBJZLR-SWLSCSKDSA-N -1 1 342.486 2.406 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2CCN(c3cccc(F)n3)[C@@H]2C1 ZINC001064678803 793558323 /nfs/dbraw/zinc/55/83/23/793558323.db2.gz VUXNCTOBEMFBCS-CHWSQXEVSA-N -1 1 342.374 2.062 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000999003134 793683745 /nfs/dbraw/zinc/68/37/45/793683745.db2.gz AWBULYYVBRDZDD-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM Cc1cnc(C)nc1N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001064767085 793695929 /nfs/dbraw/zinc/69/59/29/793695929.db2.gz UOYPEYKDVNZASJ-TZMCWYRMSA-N -1 1 341.415 2.299 20 0 EEADMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743827 794207129 /nfs/dbraw/zinc/20/71/29/794207129.db2.gz MZSZXQHTBNNVQK-CFVMTHIKSA-N -1 1 335.452 2.280 20 0 EEADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744920 794211273 /nfs/dbraw/zinc/21/12/73/794211273.db2.gz KFEOAHGBEURSAY-JTQLQIEISA-N -1 1 335.795 2.027 20 0 EEADMM O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC000913746640 794223493 /nfs/dbraw/zinc/22/34/93/794223493.db2.gz COMZNGDLEGYIKJ-WDEREUQCSA-N -1 1 331.342 2.274 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3ccc(C)cc3)C2)c1[O-] ZINC001007119725 794932673 /nfs/dbraw/zinc/93/26/73/794932673.db2.gz HMCLGHDQMPRFQH-OAHLLOKOSA-N -1 1 328.416 2.127 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079609532 794987980 /nfs/dbraw/zinc/98/79/80/794987980.db2.gz KMOGCTPEQKVPTO-DGCLKSJQSA-N -1 1 346.818 2.086 20 0 EEADMM CCc1nc(CN2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC001079612273 795023547 /nfs/dbraw/zinc/02/35/47/795023547.db2.gz HHUPCQUATVZVJL-DGCLKSJQSA-N -1 1 346.456 2.056 20 0 EEADMM CC1(C)C[C@H](NC(=O)C2CCCCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001089303008 795091502 /nfs/dbraw/zinc/09/15/02/795091502.db2.gz JTWVFOLDTLNJQU-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536302 795588402 /nfs/dbraw/zinc/58/84/02/795588402.db2.gz XIDXBEXJVNQKOB-AUUYWEPGSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1CCC[C@H]1CC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946538571 795668473 /nfs/dbraw/zinc/66/84/73/795668473.db2.gz ILQGJAREWJAHBL-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)[C@H]2C)c1[O-] ZINC000993225011 796121168 /nfs/dbraw/zinc/12/11/68/796121168.db2.gz PQCZRZDBDFKRRC-SWLSCSKDSA-N -1 1 346.406 2.346 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1cncc(F)c1 ZINC000993252203 796158999 /nfs/dbraw/zinc/15/89/99/796158999.db2.gz UOWFWDFWQBNSSA-SWLSCSKDSA-N -1 1 344.390 2.104 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OCCO)cc2)c1C ZINC000785510942 806514926 /nfs/dbraw/zinc/51/49/26/806514926.db2.gz WMBCKYFAGLCWBX-UHFFFAOYSA-N -1 1 349.408 2.253 20 0 EEADMM CCCC(=O)N(CC)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001081073919 796635392 /nfs/dbraw/zinc/63/53/92/796635392.db2.gz GBSNYKSCGTVZRV-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)C=C(C)C ZINC001081074392 796636099 /nfs/dbraw/zinc/63/60/99/796636099.db2.gz ZBQCIQXPRCPMRA-UHFFFAOYSA-N -1 1 345.443 2.454 20 0 EEADMM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)nc2F)CCO1 ZINC000867031597 796843712 /nfs/dbraw/zinc/84/37/12/796843712.db2.gz WMKJUJYYRWJPHZ-GXSJLCMTSA-N -1 1 334.388 2.232 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000993926299 797135630 /nfs/dbraw/zinc/13/56/30/797135630.db2.gz QAAJSUZOHXRVPC-KBUPBQIOSA-N -1 1 345.443 2.048 20 0 EEADMM CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1cnn(C)c1 ZINC000921847456 797208766 /nfs/dbraw/zinc/20/87/66/797208766.db2.gz IYXIEHYVSMKZKB-ZDUSSCGKSA-N -1 1 329.372 2.374 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000916591138 797662936 /nfs/dbraw/zinc/66/29/36/797662936.db2.gz TZLOQPPYQIUIMM-CQSZACIVSA-N -1 1 341.363 2.262 20 0 EEADMM CS(=O)(=O)c1ccc([O-])c(Nc2cnn([C@@H]3CCCCO3)c2)c1 ZINC001174606342 797821565 /nfs/dbraw/zinc/82/15/65/797821565.db2.gz ZTMPKRIZFSYOSM-HNNXBMFYSA-N -1 1 337.401 2.435 20 0 EEADMM Cc1ccccc1NCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001168693236 797916117 /nfs/dbraw/zinc/91/61/17/797916117.db2.gz HUXNUIGRNQHURA-QGZVFWFLSA-N -1 1 336.399 2.216 20 0 EEADMM CSc1nc(NC(=O)c2cc3c(cn2)OCC3(C)C)cc(=O)[n-]1 ZINC001174931006 797920225 /nfs/dbraw/zinc/92/02/25/797920225.db2.gz WXUHYUZJBLWJSM-UHFFFAOYSA-N -1 1 332.385 2.221 20 0 EEADMM CCNC(=O)c1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001175632466 798172237 /nfs/dbraw/zinc/17/22/37/798172237.db2.gz NIIGZXZOAJGXRN-UHFFFAOYSA-N -1 1 334.397 2.289 20 0 EEADMM Cc1cnc([C@H](C)N2CCC(NC(=O)c3ncccc3[O-])CC2)o1 ZINC001002663510 798412217 /nfs/dbraw/zinc/41/22/17/798412217.db2.gz IESGESKOVYWSDA-LBPRGKRZSA-N -1 1 330.388 2.039 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCCO)cc2)cc1C ZINC000922059110 798786990 /nfs/dbraw/zinc/78/69/90/798786990.db2.gz NBDUWQIICFOZCZ-UHFFFAOYSA-N -1 1 349.408 2.253 20 0 EEADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](CO)c1ccccc1 ZINC000922081146 798846788 /nfs/dbraw/zinc/84/67/88/798846788.db2.gz IUKFUZZTSNBVGW-HNNXBMFYSA-N -1 1 327.384 2.255 20 0 EEADMM Cc1cnc([C@@H](C)NCCCCCCNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001178209042 799340169 /nfs/dbraw/zinc/34/01/69/799340169.db2.gz DDINFBUMLJIWJB-CYBMUJFWSA-N -1 1 349.435 2.361 20 0 EEADMM CCc1nsc(N[C@@H](C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065701461 799392658 /nfs/dbraw/zinc/39/26/58/799392658.db2.gz SVIVIGQKTITRKL-QWRGUYRKSA-N -1 1 347.444 2.164 20 0 EEADMM CCn1nc2c(c1C(=O)Nc1cc(=O)[n-]c(SC)n1)CCCC2 ZINC001150843401 799769229 /nfs/dbraw/zinc/76/92/29/799769229.db2.gz RPOOVMIORYPTHS-UHFFFAOYSA-N -1 1 333.417 2.252 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc2nc(C)ccc2c1)c1nn[n-]n1 ZINC000824911495 800300513 /nfs/dbraw/zinc/30/05/13/800300513.db2.gz PCGZVWLVNVKKIG-AWEZNQCLSA-N -1 1 342.428 2.281 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(Cc2ccccc2)CCC1 ZINC000827660647 800498632 /nfs/dbraw/zinc/49/86/32/800498632.db2.gz USOPUBVTTMUUEK-UHFFFAOYSA-N -1 1 325.416 2.319 20 0 EEADMM O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000827968207 800552537 /nfs/dbraw/zinc/55/25/37/800552537.db2.gz ZPBJEKKEMMXIJY-BBWFWOEESA-N -1 1 349.394 2.057 20 0 EEADMM Cc1nsc(C)c1CN1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085562933 800789156 /nfs/dbraw/zinc/78/91/56/800789156.db2.gz ZXBNISQSDDSATC-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001182403745 801154795 /nfs/dbraw/zinc/15/47/95/801154795.db2.gz LKRKPIBLLGTEFS-ZETCQYMHSA-N -1 1 342.277 2.370 20 0 EEADMM O=C(CCOc1ccccc1Cl)NCCCC[P@@](=O)([O-])O ZINC001182912928 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EEADMM CCC(CC)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001004746649 802741063 /nfs/dbraw/zinc/74/10/63/802741063.db2.gz BRIHVBQBJVTDBW-OCCSQVGLSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004759413 802807053 /nfs/dbraw/zinc/80/70/53/802807053.db2.gz QIJOZQAMBRZVPK-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cscc1C(=O)N1CCCC[C@@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004797874 802946775 /nfs/dbraw/zinc/94/67/75/802946775.db2.gz DDYGYHMXVXQYIT-WCQYABFASA-N -1 1 349.460 2.053 20 0 EEADMM C[C@@H](CN(C)c1ncnc2ccsc21)NC(=O)c1ncccc1[O-] ZINC001108946580 804720872 /nfs/dbraw/zinc/72/08/72/804720872.db2.gz NRJCBFJYDANMPV-JTQLQIEISA-N -1 1 343.412 2.047 20 0 EEADMM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)[N-]OCCO)OCC3 ZINC000787293138 807069780 /nfs/dbraw/zinc/06/97/80/807069780.db2.gz MJGIQZGKUZVVBY-LJQANCHMSA-N -1 1 346.427 2.339 20 0 EEADMM Cn1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(-c2ccncc2)n1 ZINC000790047712 808376093 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C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccc(F)cc1 ZINC000806489520 811878547 /nfs/dbraw/zinc/87/85/47/811878547.db2.gz USDWXWGMJVWXNJ-LLVKDONJSA-N -1 1 343.362 2.070 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)ccnc1-2 ZINC000806488064 811897644 /nfs/dbraw/zinc/89/76/44/811897644.db2.gz JNKUBOAZZGSIGJ-SWLSCSKDSA-N -1 1 345.447 2.305 20 0 EEADMM CC(=O)c1ccc(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001573556710 946929463 /nfs/dbraw/zinc/92/94/63/946929463.db2.gz VKXIIFAMNCVYCX-UHFFFAOYSA-N -1 1 342.384 2.015 20 0 EEADMM CC(=O)c1ccc(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573556710 946929467 /nfs/dbraw/zinc/92/94/67/946929467.db2.gz VKXIIFAMNCVYCX-UHFFFAOYSA-N -1 1 342.384 2.015 20 0 EEADMM Cc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1[C@H](C)O ZINC000826326484 947952258 /nfs/dbraw/zinc/95/22/58/947952258.db2.gz RESUYGZNISYJIU-VIFPVBQESA-N -1 1 345.794 2.284 20 0 EEADMM Cc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1[C@H](C)O ZINC000826326484 947952264 /nfs/dbraw/zinc/95/22/64/947952264.db2.gz RESUYGZNISYJIU-VIFPVBQESA-N -1 1 345.794 2.284 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001570930864 948826685 /nfs/dbraw/zinc/82/66/85/948826685.db2.gz QBRPAGHLMSUPQV-JBLDHEPKSA-N -1 1 332.433 2.164 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2C[C@@H](OC)C2(CC)CC)n1 ZINC001570945179 949464888 /nfs/dbraw/zinc/46/48/88/949464888.db2.gz PGZQMJFWRRWYQN-QWHCGFSZSA-N -1 1 345.451 2.249 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2C[C@@H](OC)C2(CC)CC)n1 ZINC001570945179 949464894 /nfs/dbraw/zinc/46/48/94/949464894.db2.gz PGZQMJFWRRWYQN-QWHCGFSZSA-N -1 1 345.451 2.249 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(C)c1OC(F)F ZINC001570950485 949684532 /nfs/dbraw/zinc/68/45/32/949684532.db2.gz IZXMXHXYQJKJTE-UHFFFAOYSA-N -1 1 349.301 2.060 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC001570950485 949684549 /nfs/dbraw/zinc/68/45/49/949684549.db2.gz IZXMXHXYQJKJTE-UHFFFAOYSA-N -1 1 349.301 2.060 20 0 EEADMM CCN(Cc1cc(C(=O)[O-])nn1C)[C@H](COC)Cc1ccccc1 ZINC001589736536 950541288 /nfs/dbraw/zinc/54/12/88/950541288.db2.gz YJRSNSAOALPGPW-INIZCTEOSA-N -1 1 331.416 2.198 20 0 EEADMM Cn1ncc(C(=O)[O-])c1CNCc1csc(Br)c1 ZINC000397320592 951546541 /nfs/dbraw/zinc/54/65/41/951546541.db2.gz AQQXFPLUGKQNGT-UHFFFAOYSA-N -1 1 330.207 2.232 20 0 EEADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)C1 ZINC001595164584 952202923 /nfs/dbraw/zinc/20/29/23/952202923.db2.gz FHIXPXQTZAQDOA-LLVKDONJSA-N -1 1 338.367 2.495 20 0 EEADMM C[C@@H](COc1ccccc1F)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575179521 952411922 /nfs/dbraw/zinc/41/19/22/952411922.db2.gz VNYYGIXEAJDRQA-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575191802 952469909 /nfs/dbraw/zinc/46/99/09/952469909.db2.gz YSPIWUZLGKJBFO-MRVPVSSYSA-N -1 1 331.767 2.061 20 0 EEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575191802 952469911 /nfs/dbraw/zinc/46/99/11/952469911.db2.gz 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O=C(Cc1ccc2ccccc2c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773165599 577320433 /nfs/dbraw/zinc/32/04/33/577320433.db2.gz ZIHNCMKDISBBOY-OAHLLOKOSA-N -1 1 339.424 2.212 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000773685968 577358422 /nfs/dbraw/zinc/35/84/22/577358422.db2.gz RZEGOJAVMRKKIB-GFCCVEGCSA-N -1 1 335.404 2.030 20 0 EEADMM CCOc1ccccc1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773857173 577369438 /nfs/dbraw/zinc/36/94/38/577369438.db2.gz XWSOMAFUXJIAJH-UHFFFAOYSA-N -1 1 328.397 2.347 20 0 EEADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc2n[n-]c(=S)n2c1 ZINC000774003771 577377846 /nfs/dbraw/zinc/37/78/46/577377846.db2.gz PBQOXRXILPUDHL-UHFFFAOYSA-N -1 1 339.380 2.155 20 0 EEADMM Cn1[n-]c(COC(=O)COc2ccc(Cl)c3ccccc23)nc1=O ZINC000765413485 577500546 /nfs/dbraw/zinc/50/05/46/577500546.db2.gz GTBOQCBAOFSLSO-UHFFFAOYSA-N -1 1 347.758 2.037 20 0 EEADMM CCc1cc2c(COC(=O)C[C@H]3COC(=O)C3)cc(=O)oc2cc1[O-] ZINC000767600094 577540944 /nfs/dbraw/zinc/54/09/44/577540944.db2.gz MCOFAPXPNQJKJS-JTQLQIEISA-N -1 1 346.335 2.057 20 0 EEADMM Cn1ccnc1[C@@](O)(CC(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000768258225 577552996 /nfs/dbraw/zinc/55/29/96/577552996.db2.gz KTVLDMGYNPWRRB-ZDUSSCGKSA-N -1 1 347.268 2.044 20 0 EEADMM CCc1ccccc1CCOC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000768578667 577558918 /nfs/dbraw/zinc/55/89/18/577558918.db2.gz IDTLQNCUOYCKLD-UHFFFAOYSA-N -1 1 337.397 2.150 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@H]2CCC[C@@H]2C)cc1 ZINC000769170760 577571593 /nfs/dbraw/zinc/57/15/93/577571593.db2.gz MOBHKCKLGIUXGP-GXTWGEPZSA-N -1 1 333.384 2.321 20 0 EEADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(OC)c1F ZINC000769892555 577586600 /nfs/dbraw/zinc/58/66/00/577586600.db2.gz WXBQTKCALGTFCE-UHFFFAOYSA-N -1 1 341.408 2.493 20 0 EEADMM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1c([O-])cccc1Cl ZINC000770829014 577604242 /nfs/dbraw/zinc/60/42/42/577604242.db2.gz CWWWHEBSZMZXTE-WFASDCNBSA-N -1 1 335.787 2.260 20 0 EEADMM O=C([N-][C@H]1CCCN(Cc2ccccc2)C1=O)C(F)(F)C(F)F ZINC000761941007 577692042 /nfs/dbraw/zinc/69/20/42/577692042.db2.gz PQDNYGOHLWXNPT-NSHDSACASA-N -1 1 332.297 2.194 20 0 EEADMM CCc1ccsc1C(=O)[N-]N1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000763235837 577717495 /nfs/dbraw/zinc/71/74/95/577717495.db2.gz YIJOBBGHNVPLLS-QGZVFWFLSA-N -1 1 343.408 2.423 20 0 EEADMM Cc1cc2c(cc1Br)N(Cc1nc(=O)n(C)[n-]1)CCC2 ZINC000754075120 577799749 /nfs/dbraw/zinc/79/97/49/577799749.db2.gz MWZGUZCVZVJXGM-UHFFFAOYSA-N -1 1 337.221 2.132 20 0 EEADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000754647058 577810046 /nfs/dbraw/zinc/81/00/46/577810046.db2.gz UJITXQKMZYMHRR-VNHYZAJKSA-N -1 1 341.415 2.089 20 0 EEADMM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1F ZINC000756718081 577849281 /nfs/dbraw/zinc/84/92/81/577849281.db2.gz MYQPAHTXAVRVTN-JTQLQIEISA-N -1 1 344.314 2.405 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C(C)C)N2CCCC2=O)c1 ZINC000744918732 577905264 /nfs/dbraw/zinc/90/52/64/577905264.db2.gz LLPFEZONERCDDB-GOSISDBHSA-N -1 1 347.411 2.328 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000747352226 577942838 /nfs/dbraw/zinc/94/28/38/577942838.db2.gz DBFHGNZJGSZGMW-UHFFFAOYSA-N -1 1 329.360 2.357 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000748590025 577964411 /nfs/dbraw/zinc/96/44/11/577964411.db2.gz YFLMYKJVWNWAHO-CQSZACIVSA-N -1 1 349.431 2.024 20 0 EEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)CCOC(C)C)cc2)o1 ZINC000749010696 577970046 /nfs/dbraw/zinc/97/00/46/577970046.db2.gz IQBFMNIAZYMCME-UHFFFAOYSA-N -1 1 325.390 2.212 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1[O-] ZINC000749420370 577976161 /nfs/dbraw/zinc/97/61/61/577976161.db2.gz RBSNMLCAXMUDMG-UHFFFAOYSA-N -1 1 333.348 2.418 20 0 EEADMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000749847102 577982971 /nfs/dbraw/zinc/98/29/71/577982971.db2.gz VDGBJWBWFZXCNR-UHFFFAOYSA-N -1 1 344.751 2.462 20 0 EEADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000749929718 577983961 /nfs/dbraw/zinc/98/39/61/577983961.db2.gz HJHOKUAPHQHSNW-UHFFFAOYSA-N -1 1 345.742 2.329 20 0 EEADMM Cc1cccnc1[C@@H](NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C ZINC000738785028 578026797 /nfs/dbraw/zinc/02/67/97/578026797.db2.gz FPOWEMNLOIVKHR-HOCLYGCPSA-N -1 1 335.448 2.292 20 0 EEADMM O=C([O-])Nc1ccccc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000740042260 578078454 /nfs/dbraw/zinc/07/84/54/578078454.db2.gz ZIXSGQWCUTUFTJ-AWEZNQCLSA-N -1 1 347.415 2.103 20 0 EEADMM NC(=O)C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC000735919821 578173931 /nfs/dbraw/zinc/17/39/31/578173931.db2.gz MBABRXPMMCEFFJ-UHFFFAOYSA-N -1 1 343.257 2.131 20 0 EEADMM COCCCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000735132796 578136176 /nfs/dbraw/zinc/13/61/76/578136176.db2.gz NELXSVSVNNFVFZ-UHFFFAOYSA-N -1 1 347.433 2.330 20 0 EEADMM CC1(C)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]2CCO[C@H]21 ZINC000736204721 578187248 /nfs/dbraw/zinc/18/72/48/578187248.db2.gz GKNXFVRAVZCPAM-UIISKDMLSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000736204721 578187249 /nfs/dbraw/zinc/18/72/49/578187249.db2.gz GKNXFVRAVZCPAM-UIISKDMLSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736211217 578187459 /nfs/dbraw/zinc/18/74/59/578187459.db2.gz MZCWCVDTMKPIHJ-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM CC1(C)CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736211217 578187460 /nfs/dbraw/zinc/18/74/60/578187460.db2.gz MZCWCVDTMKPIHJ-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM CC1(C)C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C(C)(C)CO1 ZINC000736215002 578188488 /nfs/dbraw/zinc/18/84/88/578188488.db2.gz ZKWJTGWZAZPOOK-UHFFFAOYSA-N -1 1 331.420 2.135 20 0 EEADMM CC1(C)CN(CCOc2cccc(-c3nn[nH]n3)c2)C(C)(C)CO1 ZINC000736215002 578188489 /nfs/dbraw/zinc/18/84/89/578188489.db2.gz ZKWJTGWZAZPOOK-UHFFFAOYSA-N -1 1 331.420 2.135 20 0 EEADMM CC[C@@](C)([NH2+]Cc1cnc2c(-c3nn[n-]n3)cnn2c1)c1ccccc1 ZINC000736315824 578195165 /nfs/dbraw/zinc/19/51/65/578195165.db2.gz MFEAJOCPTUCWHX-GOSISDBHSA-N -1 1 348.414 2.324 20 0 EEADMM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1cnc[nH]1 ZINC000736724617 578220306 /nfs/dbraw/zinc/22/03/06/578220306.db2.gz NEORNQVEWRTDKH-LLVKDONJSA-N -1 1 340.339 2.500 20 0 EEADMM C[C@@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736796735 578224236 /nfs/dbraw/zinc/22/42/36/578224236.db2.gz ZBIUJRJJODLQJT-DYVFJYSZSA-N -1 1 343.427 2.012 20 0 EEADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737071670 578236325 /nfs/dbraw/zinc/23/63/25/578236325.db2.gz GDHSGGAALCPOFA-LLVKDONJSA-N -1 1 338.371 2.104 20 0 EEADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737071670 578236326 /nfs/dbraw/zinc/23/63/26/578236326.db2.gz GDHSGGAALCPOFA-LLVKDONJSA-N -1 1 338.371 2.104 20 0 EEADMM CCOCCN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)C[C@H]1CC ZINC000737176315 578242210 /nfs/dbraw/zinc/24/22/10/578242210.db2.gz KELZALKFQZLJCY-MRXNPFEDSA-N -1 1 349.431 2.349 20 0 EEADMM Cc1cc(C)n2nc(Sc3cccc(F)c3-c3nnn[n-]3)nc2n1 ZINC000737257640 578246464 /nfs/dbraw/zinc/24/64/64/578246464.db2.gz XERLFPXVVZNIQD-UHFFFAOYSA-N -1 1 342.363 2.212 20 0 EEADMM Cc1cc(C)n2nc(Sc3cccc(F)c3-c3nn[n-]n3)nc2n1 ZINC000737257640 578246465 /nfs/dbraw/zinc/24/64/65/578246465.db2.gz XERLFPXVVZNIQD-UHFFFAOYSA-N -1 1 342.363 2.212 20 0 EEADMM Cc1ccc(CSCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737342540 578251575 /nfs/dbraw/zinc/25/15/75/578251575.db2.gz GWQCEPXCGKXOJI-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM Cc1ccc(CSCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737342540 578251576 /nfs/dbraw/zinc/25/15/76/578251576.db2.gz GWQCEPXCGKXOJI-UHFFFAOYSA-N -1 1 327.417 2.310 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000737357817 578252391 /nfs/dbraw/zinc/25/23/91/578252391.db2.gz FCGNCURTDZUTCV-SQWLQELKSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1ccn2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)nc2c1 ZINC000737436460 578257263 /nfs/dbraw/zinc/25/72/63/578257263.db2.gz NAXUFLZJDLNMHJ-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM Cc1ccn2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)nc2c1 ZINC000737436460 578257264 /nfs/dbraw/zinc/25/72/64/578257264.db2.gz NAXUFLZJDLNMHJ-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM CN1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737518236 578261911 /nfs/dbraw/zinc/26/19/11/578261911.db2.gz CPEOESXDKRVSRO-AEFFLSMTSA-N -1 1 340.423 2.294 20 0 EEADMM Clc1nsc(N2CCC(c3cc[nH]n3)CC2)c1-c1nn[n-]n1 ZINC000737583384 578265630 /nfs/dbraw/zinc/26/56/30/578265630.db2.gz KAWDRVUNDAAFLH-UHFFFAOYSA-N -1 1 336.812 2.084 20 0 EEADMM COc1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737993917 578275654 /nfs/dbraw/zinc/27/56/54/578275654.db2.gz BTYMALATQSVKAP-UHFFFAOYSA-N -1 1 334.416 2.031 20 0 EEADMM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738024547 578276831 /nfs/dbraw/zinc/27/68/31/578276831.db2.gz KNFAWWBTBJCJTP-UHFFFAOYSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738024547 578276832 /nfs/dbraw/zinc/27/68/32/578276832.db2.gz KNFAWWBTBJCJTP-UHFFFAOYSA-N -1 1 340.309 2.113 20 0 EEADMM C[C@](O)(CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccco1 ZINC000820468303 599041078 /nfs/dbraw/zinc/04/10/78/599041078.db2.gz TYLCOXFLQJSFHU-KRWDZBQOSA-N -1 1 336.355 2.328 20 0 EEADMM C[C@](O)(CNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccco1 ZINC000820468303 599041081 /nfs/dbraw/zinc/04/10/81/599041081.db2.gz TYLCOXFLQJSFHU-KRWDZBQOSA-N -1 1 336.355 2.328 20 0 EEADMM Cc1ccc(C(=O)N(C)C)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822224856 607312932 /nfs/dbraw/zinc/31/29/32/607312932.db2.gz CQZWKAOEOTTXOU-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM Cc1ccc(C(=O)N(C)C)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822224856 607312933 /nfs/dbraw/zinc/31/29/33/607312933.db2.gz CQZWKAOEOTTXOU-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM FC(F)n1ccnc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822736369 599501517 /nfs/dbraw/zinc/50/15/17/599501517.db2.gz DNYOOUMRBVPPAF-UHFFFAOYSA-N -1 1 326.698 2.119 20 0 EEADMM FC(F)n1ccnc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822736369 599501519 /nfs/dbraw/zinc/50/15/19/599501519.db2.gz DNYOOUMRBVPPAF-UHFFFAOYSA-N -1 1 326.698 2.119 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCCCCC(=O)[O-] ZINC000321746421 600358254 /nfs/dbraw/zinc/35/82/54/600358254.db2.gz VFSVKIHOQIHWCL-HUUCEWRRSA-N -1 1 325.453 2.290 20 0 EEADMM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823375991 607450027 /nfs/dbraw/zinc/45/00/27/607450027.db2.gz TYZKOJPRZVNPCH-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1 ZINC000827375316 601104581 /nfs/dbraw/zinc/10/45/81/601104581.db2.gz UHNNRSMRDIKTIE-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM C[C@@H](C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])N(C)C ZINC000832803788 601137327 /nfs/dbraw/zinc/13/73/27/601137327.db2.gz YGLMHCSFWNKJKA-BBRMVZONSA-N -1 1 328.412 2.149 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000826787782 601328647 /nfs/dbraw/zinc/32/86/47/601328647.db2.gz UOPRTRYWOMYHOO-XIRDDKMYSA-N -1 1 332.444 2.480 20 0 EEADMM Cc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1C ZINC000832949059 601339182 /nfs/dbraw/zinc/33/91/82/601339182.db2.gz NQAOKVZLQDKAIX-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM CCN(C(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829596808 601517235 /nfs/dbraw/zinc/51/72/35/601517235.db2.gz CLGGYFAUCFTVFE-NWDGAFQWSA-N -1 1 347.440 2.302 20 0 EEADMM CCN(C(=O)[C@@H](C)N1CCSC[C@@H]1CC(=O)[O-])C1CCCCC1 ZINC000829591751 601918804 /nfs/dbraw/zinc/91/88/04/601918804.db2.gz XGVXTAOYXRJJQR-HIFRSBDPSA-N -1 1 342.505 2.448 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000826025679 602048091 /nfs/dbraw/zinc/04/80/91/602048091.db2.gz FMSHSKXWGYCGDZ-NORZTCDRSA-N -1 1 327.384 2.408 20 0 EEADMM N=C(NOCc1ccc(C(=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000833077851 602160756 /nfs/dbraw/zinc/16/07/56/602160756.db2.gz DXOSKVVUTVODCG-HNNXBMFYSA-N -1 1 328.324 2.223 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000818864156 602181736 /nfs/dbraw/zinc/18/17/36/602181736.db2.gz LUJSSVLYNOHWFV-ZDUSSCGKSA-N -1 1 348.428 2.098 20 0 EEADMM CNS(=O)(=O)c1cccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)c1 ZINC000820645694 602231878 /nfs/dbraw/zinc/23/18/78/602231878.db2.gz PZBCVXAFMKBSBY-GFCCVEGCSA-N -1 1 348.424 2.144 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)CCc1nc(-c2ccccc2)no1 ZINC000827016365 604404754 /nfs/dbraw/zinc/40/47/54/604404754.db2.gz NTPQSJJDNURIIV-AWEZNQCLSA-N -1 1 333.388 2.089 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(C(F)F)CC1 ZINC000826004790 604506540 /nfs/dbraw/zinc/50/65/40/604506540.db2.gz JYBDKUHEWPHHPK-NSHDSACASA-N -1 1 340.370 2.367 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(F)c1 ZINC000830580575 604673072 /nfs/dbraw/zinc/67/30/72/604673072.db2.gz HZTWDEAZXNPEJO-LSDHHAIUSA-N -1 1 337.395 2.077 20 0 EEADMM C[C@H]1CN(c2cccc(C(=O)[O-])n2)CCN1C[C@@H](O)c1ccccc1 ZINC000833634320 604713116 /nfs/dbraw/zinc/71/31/16/604713116.db2.gz GJZZSHZNDHZPCK-WMLDXEAASA-N -1 1 341.411 2.024 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cnn(-c3ccccc3)c2)O1 ZINC000833582482 604824242 /nfs/dbraw/zinc/82/42/42/604824242.db2.gz FEYKOBYIQDAYHD-INIZCTEOSA-N -1 1 327.384 2.452 20 0 EEADMM CC(C)[C@@]1(C)CC(=O)N(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833470737 604865056 /nfs/dbraw/zinc/86/50/56/604865056.db2.gz LGJYAJAFFYUETH-SCLBCKFNSA-N -1 1 338.448 2.188 20 0 EEADMM CCOc1c(OC)cc(CN[C@@H](C(=O)[O-])c2cccnc2)cc1OC ZINC000830026744 604997719 /nfs/dbraw/zinc/99/77/19/604997719.db2.gz BGNSJFWSBQLZLG-MRXNPFEDSA-N -1 1 346.383 2.413 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1ccn(-c2c(F)cccc2F)n1 ZINC000833722344 605077073 /nfs/dbraw/zinc/07/70/73/605077073.db2.gz RXLSPSFGMYZGGD-MRXNPFEDSA-N -1 1 339.342 2.120 20 0 EEADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833609688 605137660 /nfs/dbraw/zinc/13/76/60/605137660.db2.gz RWMBLTPVIDQISO-QLFBSQMISA-N -1 1 325.453 2.003 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833637455 605292406 /nfs/dbraw/zinc/29/24/06/605292406.db2.gz DTJGHKGOONIBKY-AMJWSMQMSA-N -1 1 328.359 2.231 20 0 EEADMM CCC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000821020946 606164013 /nfs/dbraw/zinc/16/40/13/606164013.db2.gz KDAVDWSTDLMVFS-CYBMUJFWSA-N -1 1 346.439 2.471 20 0 EEADMM CCC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821020946 606164014 /nfs/dbraw/zinc/16/40/14/606164014.db2.gz KDAVDWSTDLMVFS-CYBMUJFWSA-N -1 1 346.439 2.471 20 0 EEADMM CC(C)(C)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000819957944 606296403 /nfs/dbraw/zinc/29/64/03/606296403.db2.gz FFIGGKWBARGCGX-UHFFFAOYSA-N -1 1 328.332 2.110 20 0 EEADMM Fc1ccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000822766674 606432665 /nfs/dbraw/zinc/43/26/65/606432665.db2.gz MYQAOPBONXNZJG-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000822766674 606432666 /nfs/dbraw/zinc/43/26/66/606432666.db2.gz MYQAOPBONXNZJG-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822328381 606531647 /nfs/dbraw/zinc/53/16/47/606531647.db2.gz OWLLJCCOHHAHLG-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822328381 606531649 /nfs/dbraw/zinc/53/16/49/606531649.db2.gz OWLLJCCOHHAHLG-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000820549350 606532063 /nfs/dbraw/zinc/53/20/63/606532063.db2.gz MJZKZOFPFDVFIJ-ZETCQYMHSA-N -1 1 349.807 2.363 20 0 EEADMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000820549350 606532066 /nfs/dbraw/zinc/53/20/66/606532066.db2.gz MJZKZOFPFDVFIJ-ZETCQYMHSA-N -1 1 349.807 2.363 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cn(-c2ccccc2)nn1 ZINC000820461891 606728329 /nfs/dbraw/zinc/72/83/29/606728329.db2.gz SJCDQYRITWSRQB-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000820461891 606728332 /nfs/dbraw/zinc/72/83/32/606728332.db2.gz SJCDQYRITWSRQB-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690646 606878000 /nfs/dbraw/zinc/87/80/00/606878000.db2.gz QMTNHNNGHSYFRW-SNVBAGLBSA-N -1 1 339.384 2.017 20 0 EEADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690646 606878001 /nfs/dbraw/zinc/87/80/01/606878001.db2.gz QMTNHNNGHSYFRW-SNVBAGLBSA-N -1 1 339.384 2.017 20 0 EEADMM CCOc1c(F)cccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821389335 607102758 /nfs/dbraw/zinc/10/27/58/607102758.db2.gz JKVCZWWVSCILCR-UHFFFAOYSA-N -1 1 334.336 2.113 20 0 EEADMM CCOc1c(F)cccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821389335 607102759 /nfs/dbraw/zinc/10/27/59/607102759.db2.gz JKVCZWWVSCILCR-UHFFFAOYSA-N -1 1 334.336 2.113 20 0 EEADMM O=C(/C=C\SCc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822923549 607132346 /nfs/dbraw/zinc/13/23/46/607132346.db2.gz SWJWSSKYVBLORA-DAXSKMNVSA-N -1 1 343.368 2.345 20 0 EEADMM O=C(/C=C\SCc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822923549 607132348 /nfs/dbraw/zinc/13/23/48/607132348.db2.gz SWJWSSKYVBLORA-DAXSKMNVSA-N -1 1 343.368 2.345 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2cccnc21 ZINC000826450733 607996975 /nfs/dbraw/zinc/99/69/75/607996975.db2.gz BCFWNSGVJHTBPK-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826321335 608171375 /nfs/dbraw/zinc/17/13/75/608171375.db2.gz BJZKXRYCHRKCKD-MRVPVSSYSA-N -1 1 341.375 2.045 20 0 EEADMM O=C1Cc2cc(Nc3snc(Cl)c3-c3nnn[n-]3)ccc2N1 ZINC000826481816 608185072 /nfs/dbraw/zinc/18/50/72/608185072.db2.gz JLMRPQUIIQIMMY-UHFFFAOYSA-N -1 1 333.764 2.215 20 0 EEADMM O=C1Cc2cc(Nc3snc(Cl)c3-c3nn[n-]n3)ccc2N1 ZINC000826481816 608185073 /nfs/dbraw/zinc/18/50/73/608185073.db2.gz JLMRPQUIIQIMMY-UHFFFAOYSA-N -1 1 333.764 2.215 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826467487 608248926 /nfs/dbraw/zinc/24/89/26/608248926.db2.gz YHCJJAXIUDKLOP-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826467487 608248927 /nfs/dbraw/zinc/24/89/27/608248927.db2.gz YHCJJAXIUDKLOP-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM Brc1ccc2c(c1)N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000823832420 608417824 /nfs/dbraw/zinc/41/78/24/608417824.db2.gz NSAYEJWAJMSCCO-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000823832420 608417825 /nfs/dbraw/zinc/41/78/25/608417825.db2.gz NSAYEJWAJMSCCO-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000820380275 608492936 /nfs/dbraw/zinc/49/29/36/608492936.db2.gz OWPLQCLXACEGPB-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000820380275 608492937 /nfs/dbraw/zinc/49/29/37/608492937.db2.gz OWPLQCLXACEGPB-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM CC(C)(C)OC(=O)Nc1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000824114119 608889873 /nfs/dbraw/zinc/88/98/73/608889873.db2.gz JLAATBYHNTWPKV-UHFFFAOYSA-N -1 1 341.375 2.459 20 0 EEADMM CC(C)(C)OC(=O)Nc1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000824114119 608889874 /nfs/dbraw/zinc/88/98/74/608889874.db2.gz JLAATBYHNTWPKV-UHFFFAOYSA-N -1 1 341.375 2.459 20 0 EEADMM CC(C)OCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824315179 609278259 /nfs/dbraw/zinc/27/82/59/609278259.db2.gz MINOAJCUUJHNDF-UHFFFAOYSA-N -1 1 331.355 2.028 20 0 EEADMM C[C@H]1C[C@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824885587 609596316 /nfs/dbraw/zinc/59/63/16/609596316.db2.gz SYXTZHIPPPZYQL-NWDGAFQWSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@H]1C[C@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824885587 609596319 /nfs/dbraw/zinc/59/63/19/609596319.db2.gz SYXTZHIPPPZYQL-NWDGAFQWSA-N -1 1 339.403 2.427 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCCC12OCCO2 ZINC000866838193 674581172 /nfs/dbraw/zinc/58/11/72/674581172.db2.gz JVLPOQJNDVWLQN-AWEZNQCLSA-N -1 1 325.792 2.390 20 0 EEADMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845426 674602729 /nfs/dbraw/zinc/60/27/29/674602729.db2.gz HDXATLLOJJTWJK-UFBFGSQYSA-N -1 1 341.260 2.464 20 0 EEADMM CC[C@@H]1c2ccccc2CN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000890612613 675106538 /nfs/dbraw/zinc/10/65/38/675106538.db2.gz OXRYVRVTGXTNKJ-CQSZACIVSA-N -1 1 334.397 2.295 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1CC(F)(F)C(F)F ZINC000947236896 676037308 /nfs/dbraw/zinc/03/73/08/676037308.db2.gz ZDIMJOKRUKZZCY-VHSXEESVSA-N -1 1 349.328 2.270 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)[N-]NC(=O)Cc1ccncc1 ZINC000081016936 675475599 /nfs/dbraw/zinc/47/55/99/675475599.db2.gz YDZZPDWKTJZAMM-UHFFFAOYSA-N -1 1 327.315 2.279 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)CC[C@@H]3CCc4ccccc43)nc2n1 ZINC000890964645 675834784 /nfs/dbraw/zinc/83/47/84/675834784.db2.gz XOUIFLAKYIRDPR-ZDUSSCGKSA-N -1 1 337.383 2.175 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)[C@H](C)c3ccccc3F)C2)c1[O-] ZINC000971350545 676496495 /nfs/dbraw/zinc/49/64/95/676496495.db2.gz HOMAWYQXLJALDW-CHWSQXEVSA-N -1 1 346.406 2.470 20 0 EEADMM CC(C)(C)c1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3O)C2)o1 ZINC001021843714 676518431 /nfs/dbraw/zinc/51/84/31/676518431.db2.gz WJAANKSBHVYWRQ-TXEJJXNPSA-N -1 1 344.415 2.123 20 0 EEADMM Cc1ccc(C)c(OCC(=O)N[N-]C(=O)c2cc(F)ccc2F)c1 ZINC000022627235 676764588 /nfs/dbraw/zinc/76/45/88/676764588.db2.gz WFJXVTATWUCARC-UHFFFAOYSA-N -1 1 334.322 2.422 20 0 EEADMM O=C(C=C1CCC1)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937336675 681286118 /nfs/dbraw/zinc/28/61/18/681286118.db2.gz GYGVVDLFHSJTOY-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])[C@@H]1CC12CCC2 ZINC000937363527 681345584 /nfs/dbraw/zinc/34/55/84/681345584.db2.gz WXPLGEQJLVKDQQ-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM CN(C(=O)[C@@H]1CCCC12CC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216817 681699552 /nfs/dbraw/zinc/69/95/52/681699552.db2.gz MSQLISLHPLHSFE-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)C12CCC(CC1)C2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217015 681701624 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C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-])C1CCC1 ZINC000937426136 683358557 /nfs/dbraw/zinc/35/85/57/683358557.db2.gz WSZIUDVEWPSQHL-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C(=O)N[C@@H]2C[C@@H](NC(=O)c3ncccc3[O-])C23CCC3)CCC1 ZINC001025903764 683620279 /nfs/dbraw/zinc/62/02/79/683620279.db2.gz KFYDAYIGSBBRBM-ZIAGYGMSSA-N -1 1 343.427 2.135 20 0 EEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cccc(Cl)c1C ZINC000193878929 684882788 /nfs/dbraw/zinc/88/27/88/684882788.db2.gz WVAIEMOLROIZOH-UHFFFAOYSA-N -1 1 346.774 2.087 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984627813 684902992 /nfs/dbraw/zinc/90/29/92/684902992.db2.gz YSPXEFVBTZIXOP-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866908308 686044949 /nfs/dbraw/zinc/04/49/49/686044949.db2.gz BRRBVIOVLBUISC-UHFFFAOYSA-N -1 1 341.216 2.010 20 0 EEADMM CCc1noc(C[N@H+](C)C2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC000985275553 686193893 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EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cnc(C)s2)C1 ZINC001033805278 1195309645 /nfs/dbraw/zinc/30/96/45/1195309645.db2.gz ZDLNVOPUXJWZCI-ZDUSSCGKSA-N -1 1 346.456 2.289 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)C2=CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001018084513 1224311640 /nfs/dbraw/zinc/31/16/40/1224311640.db2.gz MABPIPJEBQRYMO-GXTWGEPZSA-N -1 1 329.400 2.007 20 0 EEADMM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1sccc1Cl ZINC001434562244 1197461757 /nfs/dbraw/zinc/46/17/57/1197461757.db2.gz JPXDOLOHAQGQLX-NSHDSACASA-N -1 1 331.846 2.283 20 0 EEADMM CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-])C1CCCC1 ZINC001410610508 1198189548 /nfs/dbraw/zinc/18/95/48/1198189548.db2.gz XSKWRCPDFGFIHB-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC1(C(=O)N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)CC1 ZINC001410985459 1198661414 /nfs/dbraw/zinc/66/14/14/1198661414.db2.gz ULQZUHIEILUKEO-KRWDZBQOSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cnc1Cl ZINC000874048888 1198773725 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C[C@@H]1Cc2ccccc2N1CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900413916 1234330978 /nfs/dbraw/zinc/33/09/78/1234330978.db2.gz DGMVRXMEHOYTID-GFCCVEGCSA-N -1 1 338.411 2.241 20 0 EEADMM CC(=O)N(C)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900415662 1234333765 /nfs/dbraw/zinc/33/37/65/1234333765.db2.gz WCGWLXSDPPQGSW-UHFFFAOYSA-N -1 1 326.356 2.295 20 0 EEADMM CN1CCC[C@@H](OC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1=O ZINC000801360786 1235456922 /nfs/dbraw/zinc/45/69/22/1235456922.db2.gz OBYRBBKZGFXEOR-CYBMUJFWSA-N -1 1 349.774 2.009 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCCC1 ZINC000801373535 1235469812 /nfs/dbraw/zinc/46/98/12/1235469812.db2.gz IYTCPHOMSFCTLT-UHFFFAOYSA-N -1 1 349.774 2.011 20 0 EEADMM COc1ccc(COCCNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000901312513 1235526034 /nfs/dbraw/zinc/52/60/34/1235526034.db2.gz BYIHJEUIVPXWFS-UHFFFAOYSA-N -1 1 343.383 2.015 20 0 EEADMM CC[C@H](OC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(N)=O ZINC000801411304 1235535564 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COCc1cccc(CNCc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC000902110361 1237067024 /nfs/dbraw/zinc/06/70/24/1237067024.db2.gz LXEJUSCCDNRXEF-UHFFFAOYSA-N -1 1 331.416 2.411 20 0 EEADMM Cc1cccc(OC[C@H](O)CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902179438 1237174306 /nfs/dbraw/zinc/17/43/06/1237174306.db2.gz UWUDNYBKJRDSES-HSBSLETESA-N -1 1 331.368 2.215 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3c(C(F)(F)F)nc4n3CCCC4)C[C@@H]21 ZINC000902555593 1237888188 /nfs/dbraw/zinc/88/81/88/1237888188.db2.gz YSRVIXUAMUUFCF-GBIKHYSHSA-N -1 1 343.349 2.391 20 0 EEADMM CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001056357205 1239252702 /nfs/dbraw/zinc/25/27/02/1239252702.db2.gz KIFUQUNAQUNESS-KBPBESRZSA-N -1 1 331.416 2.183 20 0 EEADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])nnn1Cc1ccncc1 ZINC000803172858 1239657613 /nfs/dbraw/zinc/65/76/13/1239657613.db2.gz XJJOYWAYAHYVPK-UHFFFAOYSA-N -1 1 344.762 2.036 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(Nc2cnc(F)cn2)CC1 ZINC001067909477 1249946220 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CCC[C@H](CC)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001491948572 1330340283 /nfs/dbraw/zinc/34/02/83/1330340283.db2.gz RYLRDBGNWAXLBJ-KBPBESRZSA-N -1 1 333.432 2.286 20 0 EEADMM O=C([O-])c1cnc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)s1 ZINC001602521134 1350537607 /nfs/dbraw/zinc/53/76/07/1350537607.db2.gz MFAGHZPKSJYNQG-BLLLJJGKSA-N -1 1 336.388 2.236 20 0 EEADMM O=Cc1[nH]nc2cc(C(=O)OCCc3ccccc3C(=O)[O-])ccc12 ZINC001602668815 1350570376 /nfs/dbraw/zinc/57/03/76/1350570376.db2.gz YGFXXECCBHWLFX-UHFFFAOYSA-N -1 1 338.319 2.473 20 0 EEADMM Brc1cnc(-c2nnn[n-]2)c(NC[C@H]2CCCCO2)c1 ZINC001602680161 1350572050 /nfs/dbraw/zinc/57/20/50/1350572050.db2.gz SGYAYWKAHXKTDB-SECBINFHSA-N -1 1 339.197 2.005 20 0 EEADMM Brc1cnc(-c2nn[n-]n2)c(NC[C@H]2CCCCO2)c1 ZINC001602680161 1350572054 /nfs/dbraw/zinc/57/20/54/1350572054.db2.gz SGYAYWKAHXKTDB-SECBINFHSA-N -1 1 339.197 2.005 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603584803 1350725669 /nfs/dbraw/zinc/72/56/69/1350725669.db2.gz 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349.770 2.291 20 0 EEADMM Cc1nnc(CCNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC001311062815 1331748123 /nfs/dbraw/zinc/74/81/23/1331748123.db2.gz JJLJCEXYYMBQIQ-UHFFFAOYSA-N -1 1 344.400 2.102 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2coc([C@@H]3CCCN3)n2)[C@@H]2CCCC[C@@H]12 ZINC001608633640 1351730495 /nfs/dbraw/zinc/73/04/95/1351730495.db2.gz XOBWUGNFMJPHCJ-SFDCQRBFSA-N -1 1 347.415 2.205 20 0 EEADMM O=C([O-])C=Cc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)o1 ZINC001608658632 1351735594 /nfs/dbraw/zinc/73/55/94/1351735594.db2.gz ZSIKQLRYUKSEGX-VQHVLOKHSA-N -1 1 338.323 2.093 20 0 EEADMM O=C([O-])C=Cc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)o1 ZINC001608658632 1351735598 /nfs/dbraw/zinc/73/55/98/1351735598.db2.gz ZSIKQLRYUKSEGX-VQHVLOKHSA-N -1 1 338.323 2.093 20 0 EEADMM O=C([O-])CC1CC(NC(=O)c2cc(Br)cc(F)c2O)C1 ZINC001608692087 1351742908 /nfs/dbraw/zinc/74/29/08/1351742908.db2.gz KYFYVWYHKWDASZ-UHFFFAOYSA-N -1 1 346.152 2.277 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2ncc(Cl)s2)s1 ZINC001608720387 1351749136 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C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609159501 1351868021 /nfs/dbraw/zinc/86/80/21/1351868021.db2.gz OMJZTLMOQTWHKV-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609159501 1351868025 /nfs/dbraw/zinc/86/80/25/1351868025.db2.gz OMJZTLMOQTWHKV-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2C1 ZINC001609170105 1351874178 /nfs/dbraw/zinc/87/41/78/1351874178.db2.gz SZKNLPPNJLHBFT-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2C1 ZINC001609170105 1351874182 /nfs/dbraw/zinc/87/41/82/1351874182.db2.gz SZKNLPPNJLHBFT-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM CCCCCC[C@H](C)NC(=O)COc1cccnc1-c1nnn[n-]1 ZINC001609209353 1351893050 /nfs/dbraw/zinc/89/30/50/1351893050.db2.gz ZXTZJTBZXRKPLV-LBPRGKRZSA-N -1 1 332.408 2.116 20 0 EEADMM CCCCCC[C@H](C)NC(=O)COc1cccnc1-c1nn[n-]n1 ZINC001609209353 1351893055 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UJOPLUFOYGVKBT-UHFFFAOYSA-N -1 1 325.347 2.095 20 0 EEADMM CN1CCN(c2ccc(NC(=O)C3(C(=O)[O-])CCCC3)cc2)CC1 ZINC001335019314 1336326057 /nfs/dbraw/zinc/32/60/57/1336326057.db2.gz QMSPYENXMVMQHR-UHFFFAOYSA-N -1 1 331.416 2.022 20 0 EEADMM C[C@@H](NC(=S)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccs1 ZINC001609772419 1352081562 /nfs/dbraw/zinc/08/15/62/1352081562.db2.gz CVUXDECQMTWQNP-VXGBXAGGSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@H](Oc1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1)C(=O)[O-] ZINC001609802975 1352089163 /nfs/dbraw/zinc/08/91/63/1352089163.db2.gz NHVSBNYRCQSPGM-LIRRHRJNSA-N -1 1 349.427 2.308 20 0 EEADMM C[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@@H](C2CC2)O1 ZINC001338182460 1336811128 /nfs/dbraw/zinc/81/11/28/1336811128.db2.gz VTNJMHUOXLCESW-ZANVPECISA-N -1 1 349.822 2.240 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC001609811751 1352091167 /nfs/dbraw/zinc/09/11/67/1352091167.db2.gz NSRUVEKDAMXLDN-HXUWFJFHSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC001609824755 1352094293 /nfs/dbraw/zinc/09/42/93/1352094293.db2.gz JERXNJPOOLJAOB-LPHOPBHVSA-N -1 1 342.439 2.321 20 0 EEADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001609836964 1352097563 /nfs/dbraw/zinc/09/75/63/1352097563.db2.gz OPDSEOLJOMWFBL-RHYQMDGZSA-N -1 1 348.390 2.282 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1CCN1CCc2ccccc21 ZINC001609854932 1352103138 /nfs/dbraw/zinc/10/31/38/1352103138.db2.gz WSEFJNBUYWRSHU-ZSGPHXLJSA-N -1 1 330.428 2.144 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001341052715 1337277738 /nfs/dbraw/zinc/27/77/38/1337277738.db2.gz UQFXCFWPOGURGI-AWEZNQCLSA-N -1 1 338.419 2.052 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001341052715 1337277741 /nfs/dbraw/zinc/27/77/41/1337277741.db2.gz UQFXCFWPOGURGI-AWEZNQCLSA-N -1 1 338.419 2.052 20 0 EEADMM Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)s1 ZINC001350232930 1337685544 /nfs/dbraw/zinc/68/55/44/1337685544.db2.gz BSXIQISLDDMIQD-LBPRGKRZSA-N -1 1 340.412 2.261 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001610125580 1352167614 /nfs/dbraw/zinc/16/76/14/1352167614.db2.gz QOLBVEKUWBGWQA-HOTGVXAUSA-N -1 1 330.428 2.220 20 0 EEADMM CN(C)c1cccc2sc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)cc21 ZINC001352587067 1337989538 /nfs/dbraw/zinc/98/95/38/1337989538.db2.gz WOXUBFXNUKHXFO-JTQLQIEISA-N -1 1 342.428 2.110 20 0 EEADMM COCc1nc(NC(=O)c2cccc3c[nH]nc32)sc1C(=O)[O-] ZINC001610274002 1352197687 /nfs/dbraw/zinc/19/76/87/1352197687.db2.gz OIJKGHRTZJTFQZ-UHFFFAOYSA-N -1 1 332.341 2.116 20 0 EEADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001610311142 1352203553 /nfs/dbraw/zinc/20/35/53/1352203553.db2.gz OQCJHTOVXNYGNB-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM Cc1[nH]c(C(=O)Nc2ccccc2-c2nnc[nH]2)c(C)c1C(=O)[O-] ZINC001610402059 1352217049 /nfs/dbraw/zinc/21/70/49/1352217049.db2.gz OVEJCKJHZVJOOA-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001610514898 1352236544 /nfs/dbraw/zinc/23/65/44/1352236544.db2.gz SCJULONVGWXMID-HYVNUMGLSA-N -1 1 345.443 2.041 20 0 EEADMM Cc1nc2cccc(C(=O)NCCOc3ccc(C(=O)[O-])cc3)c2[nH]1 ZINC001610559442 1352244825 /nfs/dbraw/zinc/24/48/25/1352244825.db2.gz XJBOZTDXRGEOCM-UHFFFAOYSA-N -1 1 339.351 2.378 20 0 EEADMM Cn1cc([C@H](NCc2ccc(C(=O)[O-])s2)C2(CO)CCC2)cn1 ZINC001610600854 1352251994 /nfs/dbraw/zinc/25/19/94/1352251994.db2.gz AMUXTRDRUWSOEN-AWEZNQCLSA-N -1 1 335.429 2.173 20 0 EEADMM CC(C)(CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001427643981 1339329589 /nfs/dbraw/zinc/32/95/89/1339329589.db2.gz HPVSWJQSWKKWBQ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001610734557 1352266725 /nfs/dbraw/zinc/26/67/25/1352266725.db2.gz BPDHHWKQFRBCRK-UKRRQHHQSA-N -1 1 339.819 2.396 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001610765141 1352270818 /nfs/dbraw/zinc/27/08/18/1352270818.db2.gz IYPLKUHPHUJFDS-ZIAGYGMSSA-N -1 1 342.461 2.032 20 0 EEADMM Cc1cscc1C(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428992666 1339761436 /nfs/dbraw/zinc/76/14/36/1339761436.db2.gz BBGYEIYRJKDUEE-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(F)c[nH]c1=O ZINC001611187028 1352296382 /nfs/dbraw/zinc/29/63/82/1352296382.db2.gz IVJIIZMUPHUSGA-UHFFFAOYSA-N -1 1 349.709 2.323 20 0 EEADMM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)c[nH]c1=O ZINC001611187028 1352296384 /nfs/dbraw/zinc/29/63/84/1352296384.db2.gz IVJIIZMUPHUSGA-UHFFFAOYSA-N -1 1 349.709 2.323 20 0 EEADMM O=C(Cc1ccccc1)NNC(=O)c1cc(Br)ccc1[O-] ZINC000012019854 1352314744 /nfs/dbraw/zinc/31/47/44/1352314744.db2.gz DJPNGGPXCDIGCZ-UHFFFAOYSA-N -1 1 349.184 2.158 20 0 EEADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCCC1)c1ccccc1 ZINC001430749673 1340318566 /nfs/dbraw/zinc/31/85/66/1340318566.db2.gz PPYVJMYVOCMJAG-UHFFFAOYSA-N -1 1 339.395 2.260 20 0 EEADMM COc1cc(C)ccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001617743323 1352344379 /nfs/dbraw/zinc/34/43/79/1352344379.db2.gz CQYAETDDCUWTKT-UHFFFAOYSA-N -1 1 339.355 2.348 20 0 EEADMM CCN(CCNC(=O)[C@H](C)c1cccs1)C(=O)c1ncccc1[O-] ZINC001431714522 1340698462 /nfs/dbraw/zinc/69/84/62/1340698462.db2.gz YWTOMIXPCJNUBA-GFCCVEGCSA-N -1 1 347.440 2.231 20 0 EEADMM C[C@@](O)(CNC(=O)c1ccc(F)c([O-])c1)c1ccc(F)cc1F ZINC001433734917 1341671575 /nfs/dbraw/zinc/67/15/75/1341671575.db2.gz MERDPNLKBQQMHV-MRXNPFEDSA-N -1 1 325.286 2.447 20 0 EEADMM CCC(CC)(NC(=O)CCc1nnc(C2CCCC2)o1)c1nn[n-]n1 ZINC001433968718 1341733807 /nfs/dbraw/zinc/73/38/07/1341733807.db2.gz NXLDMTJNLHPYID-UHFFFAOYSA-N -1 1 347.423 2.005 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2scnc2Br)n1 ZINC001436229214 1342015385 /nfs/dbraw/zinc/01/53/85/1342015385.db2.gz ZKGUJRCLFBCAOZ-UHFFFAOYSA-N -1 1 345.178 2.058 20 0 EEADMM CO[C@H]1CCCCN(CC(=O)Nc2ccc([O-])c(Cl)c2)C1=O ZINC001552119039 1342333143 /nfs/dbraw/zinc/33/31/43/1342333143.db2.gz TUONZYAADSJFSK-ZDUSSCGKSA-N -1 1 326.780 2.012 20 0 EEADMM CN(C)Cc1ccnc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001574550206 1343682518 /nfs/dbraw/zinc/68/25/18/1343682518.db2.gz HRNXAZRAMHCQMR-HNNXBMFYSA-N -1 1 342.399 2.133 20 0 EEADMM CCO[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001578256282 1344256064 /nfs/dbraw/zinc/25/60/64/1344256064.db2.gz CPWYWFXXCPAVNB-HNNXBMFYSA-N -1 1 338.371 2.002 20 0 EEADMM CCO[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001578256282 1344256066 /nfs/dbraw/zinc/25/60/66/1344256066.db2.gz CPWYWFXXCPAVNB-HNNXBMFYSA-N -1 1 338.371 2.002 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001579466156 1344385796 /nfs/dbraw/zinc/38/57/96/1344385796.db2.gz FHHKGACLGRQHEV-UHFFFAOYSA-N -1 1 345.340 2.326 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001579466156 1344385799 /nfs/dbraw/zinc/38/57/99/1344385799.db2.gz FHHKGACLGRQHEV-UHFFFAOYSA-N -1 1 345.340 2.326 20 0 EEADMM COc1cccc(F)c1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580069361 1344463242 /nfs/dbraw/zinc/46/32/42/1344463242.db2.gz LORHIFPPZZAWPF-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cccc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1Cl ZINC001580069871 1344463337 /nfs/dbraw/zinc/46/33/37/1344463337.db2.gz LDOXDNPPWDMVSF-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM COc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001580070814 1344464179 /nfs/dbraw/zinc/46/41/79/1344464179.db2.gz DDXAFPODAYBBGV-UHFFFAOYSA-N -1 1 330.373 2.259 20 0 EEADMM COc1ncc(NC(=O)Cc2cc(C)cc(C)c2)cc1-c1nn[n-]n1 ZINC001580134658 1344478713 /nfs/dbraw/zinc/47/87/13/1344478713.db2.gz IIEUXXOPTUJSTF-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1nscc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001580153389 1344481724 /nfs/dbraw/zinc/48/17/24/1344481724.db2.gz YOQZJWFDKCXQTL-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM C[C@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001580441520 1344520719 /nfs/dbraw/zinc/52/07/19/1344520719.db2.gz OOZZPULPLJBCEC-JTQLQIEISA-N -1 1 349.441 2.109 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)oc1C ZINC001580870415 1344566527 /nfs/dbraw/zinc/56/65/27/1344566527.db2.gz BERDQOPJISRFHI-UHFFFAOYSA-N -1 1 333.298 2.285 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)oc1C ZINC001580870415 1344566532 /nfs/dbraw/zinc/56/65/32/1344566532.db2.gz BERDQOPJISRFHI-UHFFFAOYSA-N -1 1 333.298 2.285 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001581215183 1344600347 /nfs/dbraw/zinc/60/03/47/1344600347.db2.gz ROYASRUPBYAHBL-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001581215183 1344600352 /nfs/dbraw/zinc/60/03/52/1344600352.db2.gz ROYASRUPBYAHBL-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Fc1c(Br)cccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001581852368 1344677619 /nfs/dbraw/zinc/67/76/19/1344677619.db2.gz XPGMGPNODNLDND-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1c(Br)cccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001581852368 1344677617 /nfs/dbraw/zinc/67/76/17/1344677617.db2.gz XPGMGPNODNLDND-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccsc1-c1nnn[n-]1 ZINC001582381975 1344746738 /nfs/dbraw/zinc/74/67/38/1344746738.db2.gz QUWJOCWJOBQTSI-LLVKDONJSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccsc1-c1nn[n-]n1 ZINC001582381975 1344746742 /nfs/dbraw/zinc/74/67/42/1344746742.db2.gz QUWJOCWJOBQTSI-LLVKDONJSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NCCc1ccc(F)cc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582526593 1344758006 /nfs/dbraw/zinc/75/80/06/1344758006.db2.gz LZIVMKGTCCDPQT-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1ccc(F)cc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582526593 1344758009 /nfs/dbraw/zinc/75/80/09/1344758009.db2.gz LZIVMKGTCCDPQT-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC001582526854 1344758227 /nfs/dbraw/zinc/75/82/27/1344758227.db2.gz ZZEFSAXNEQGQOQ-UHFFFAOYSA-N -1 1 343.774 2.198 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccnc1C(F)F ZINC001582551329 1344761711 /nfs/dbraw/zinc/76/17/11/1344761711.db2.gz DUFLJBJBYPWDAE-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM c1ccc([C@H]2C[C@@H]3[C@@H](CCCN3c3ccnc(-c4nn[n-]n4)n3)O2)cc1 ZINC001582818618 1344798094 /nfs/dbraw/zinc/79/80/94/1344798094.db2.gz ICMPSIBIEDOVIC-RBSFLKMASA-N -1 1 349.398 2.156 20 0 EEADMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1-c1nn[nH]n1)C(F)(F)F ZINC001589313959 1348981658 /nfs/dbraw/zinc/98/16/58/1348981658.db2.gz LAXVJIZKYASPAB-UHFFFAOYSA-N -1 1 349.263 2.416 20 0 EEADMM CC(C)CC1(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001589573482 1349006234 /nfs/dbraw/zinc/00/62/34/1349006234.db2.gz YXNPJIHDMGVTEN-UHFFFAOYSA-N -1 1 341.462 2.033 20 0 EEADMM CC(C)Cc1nc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cs1 ZINC001589664480 1349016890 /nfs/dbraw/zinc/01/68/90/1349016890.db2.gz GNNXLOAQEFMLPT-UHFFFAOYSA-N -1 1 333.373 2.472 20 0 EEADMM CC(C)Cc1nc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cs1 ZINC001589664480 1349016895 /nfs/dbraw/zinc/01/68/95/1349016895.db2.gz GNNXLOAQEFMLPT-UHFFFAOYSA-N -1 1 333.373 2.472 20 0 EEADMM CC(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589768572 1349033812 /nfs/dbraw/zinc/03/38/12/1349033812.db2.gz OCHBQXYPPNDTCG-UHFFFAOYSA-N -1 1 347.400 2.062 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cn1 ZINC001589770635 1349034730 /nfs/dbraw/zinc/03/47/30/1349034730.db2.gz SVAASSXSOAKBQM-UHFFFAOYSA-N -1 1 349.398 2.373 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cn1 ZINC001589770635 1349034733 /nfs/dbraw/zinc/03/47/33/1349034733.db2.gz SVAASSXSOAKBQM-UHFFFAOYSA-N -1 1 349.398 2.373 20 0 EEADMM CC(C)c1cccc(NC(=O)COc2cccnc2-c2nnn[n-]2)c1 ZINC001589771472 1349035299 /nfs/dbraw/zinc/03/52/99/1349035299.db2.gz PNNZAGLLJUKUAB-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CC(C)c1cccc(NC(=O)COc2cccnc2-c2nn[n-]n2)c1 ZINC001589771472 1349035302 /nfs/dbraw/zinc/03/53/02/1349035302.db2.gz PNNZAGLLJUKUAB-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589900222 1349057182 /nfs/dbraw/zinc/05/71/82/1349057182.db2.gz UQUUMAXMVDTRGO-SNVBAGLBSA-N -1 1 329.335 2.302 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589900222 1349057185 /nfs/dbraw/zinc/05/71/85/1349057185.db2.gz UQUUMAXMVDTRGO-SNVBAGLBSA-N -1 1 329.335 2.302 20 0 EEADMM C[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590247330 1349225101 /nfs/dbraw/zinc/22/51/01/1349225101.db2.gz JNWIDGSWGHZGOI-RITPCOANSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251890 1349227183 /nfs/dbraw/zinc/22/71/83/1349227183.db2.gz JNKDXRPWXKTDIV-OCCSQVGLSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251890 1349227190 /nfs/dbraw/zinc/22/71/90/1349227190.db2.gz JNKDXRPWXKTDIV-OCCSQVGLSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@H]12 ZINC001590270239 1349241488 /nfs/dbraw/zinc/24/14/88/1349241488.db2.gz QQZHAPIQQNAQIP-LALPHHSUSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@H]12 ZINC001590270239 1349241491 /nfs/dbraw/zinc/24/14/91/1349241491.db2.gz QQZHAPIQQNAQIP-LALPHHSUSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC2(CCCCC2)O1 ZINC001590299132 1349252232 /nfs/dbraw/zinc/25/22/32/1349252232.db2.gz WDIURLGIZDVXQA-NSHDSACASA-N -1 1 331.376 2.024 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC2(CCCCC2)O1 ZINC001590299132 1349252235 /nfs/dbraw/zinc/25/22/35/1349252235.db2.gz WDIURLGIZDVXQA-NSHDSACASA-N -1 1 331.376 2.024 20 0 EEADMM CC[C@](C)(NC(=O)c1csc(-c2nn[n-]n2)c1)c1nccs1 ZINC001590383234 1349296987 /nfs/dbraw/zinc/29/69/87/1349296987.db2.gz WHYSNOAUAOYQPX-ZDUSSCGKSA-N -1 1 334.430 2.440 20 0 EEADMM CC[C@H](C)C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)OC ZINC001590404631 1349306457 /nfs/dbraw/zinc/30/64/57/1349306457.db2.gz OGEJOBUKEXLYAG-BQBZGAKWSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC001590422597 1349317637 /nfs/dbraw/zinc/31/76/37/1349317637.db2.gz OEOYBJSZLDBOBE-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590422597 1349317643 /nfs/dbraw/zinc/31/76/43/1349317643.db2.gz OEOYBJSZLDBOBE-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CCc1nc(Nc2cc(F)cc(N(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001590923568 1349413528 /nfs/dbraw/zinc/41/35/28/1349413528.db2.gz ZJDKWYQEUXSMSS-UHFFFAOYSA-N -1 1 328.355 2.168 20 0 EEADMM CCc1nc(Nc2cc(F)cc(N(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001590923568 1349413532 /nfs/dbraw/zinc/41/35/32/1349413532.db2.gz ZJDKWYQEUXSMSS-UHFFFAOYSA-N -1 1 328.355 2.168 20 0 EEADMM CCc1nc(NCc2cc(COC)cs2)cc(-c2nnn[n-]2)n1 ZINC001590922943 1349414418 /nfs/dbraw/zinc/41/44/18/1349414418.db2.gz AUSAZRGNEIVLFP-UHFFFAOYSA-N -1 1 331.405 2.039 20 0 EEADMM CCc1nc(NCc2cc(COC)cs2)cc(-c2nn[n-]n2)n1 ZINC001590922943 1349414420 /nfs/dbraw/zinc/41/44/20/1349414420.db2.gz AUSAZRGNEIVLFP-UHFFFAOYSA-N -1 1 331.405 2.039 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591336078 1349464574 /nfs/dbraw/zinc/46/45/74/1349464574.db2.gz NGCNHZFIAPGANH-BONVTDFDSA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591336078 1349464575 /nfs/dbraw/zinc/46/45/75/1349464575.db2.gz NGCNHZFIAPGANH-BONVTDFDSA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@H]1Cc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc2C1 ZINC001591363041 1349473727 /nfs/dbraw/zinc/47/37/27/1349473727.db2.gz YWCNKSQOASPUMJ-LBPRGKRZSA-N -1 1 328.401 2.049 20 0 EEADMM CO[C@H]1Cc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc2C1 ZINC001591363041 1349473730 /nfs/dbraw/zinc/47/37/30/1349473730.db2.gz YWCNKSQOASPUMJ-LBPRGKRZSA-N -1 1 328.401 2.049 20 0 EEADMM COCC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(C)o1 ZINC001591400179 1349481262 /nfs/dbraw/zinc/48/12/62/1349481262.db2.gz OVDJBHPBBHCQKC-CYBMUJFWSA-N -1 1 328.376 2.083 20 0 EEADMM COCC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(C)o1 ZINC001591400179 1349481267 /nfs/dbraw/zinc/48/12/67/1349481267.db2.gz OVDJBHPBBHCQKC-CYBMUJFWSA-N -1 1 328.376 2.083 20 0 EEADMM CO[C@H]1C[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)C1 ZINC001591472855 1349488284 /nfs/dbraw/zinc/48/82/84/1349488284.db2.gz IPZIGSLNTHMVTN-JGZJWPJOSA-N -1 1 345.790 2.260 20 0 EEADMM Cc1cc(N2C[C@H](C)OC3(CCCCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591997792 1349581000 /nfs/dbraw/zinc/58/10/00/1349581000.db2.gz DOCHXEKDYZAOTC-ZDUSSCGKSA-N -1 1 328.420 2.498 20 0 EEADMM Cc1cc(N2C[C@H](C)OC3(CCCCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591997792 1349581004 /nfs/dbraw/zinc/58/10/04/1349581004.db2.gz DOCHXEKDYZAOTC-ZDUSSCGKSA-N -1 1 328.420 2.498 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(C)c(F)c2)c1-c1nnn[n-]1 ZINC001592161437 1349599945 /nfs/dbraw/zinc/59/99/45/1349599945.db2.gz HZGTYQHTUGMCNZ-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(C)c(F)c2)c1-c1nn[n-]n1 ZINC001592161437 1349599951 /nfs/dbraw/zinc/59/99/51/1349599951.db2.gz HZGTYQHTUGMCNZ-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1nsc(NC(=O)NCc2c(C)cccc2F)c1-c1nnn[n-]1 ZINC001592232325 1349613305 /nfs/dbraw/zinc/61/33/05/1349613305.db2.gz XEQAAJKKZJJEHH-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1nsc(NC(=O)NCc2c(C)cccc2F)c1-c1nn[n-]n1 ZINC001592232325 1349613306 /nfs/dbraw/zinc/61/33/06/1349613306.db2.gz XEQAAJKKZJJEHH-UHFFFAOYSA-N -1 1 347.379 2.401 20 0 EEADMM Cc1nc(C)c(COC(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001592357141 1349625117 /nfs/dbraw/zinc/62/51/17/1349625117.db2.gz DVKZKQRACFUDGJ-UHFFFAOYSA-N -1 1 333.348 2.436 20 0 EEADMM Cc1nc(C)c(COC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001592357141 1349625122 /nfs/dbraw/zinc/62/51/22/1349625122.db2.gz DVKZKQRACFUDGJ-UHFFFAOYSA-N -1 1 333.348 2.436 20 0 EEADMM Cc1nc(N[C@H]2c3ccccc3CC[C@@H]2F)cc(-c2nnn[n-]2)n1 ZINC001592383735 1349625997 /nfs/dbraw/zinc/62/59/97/1349625997.db2.gz IEVRWYHKSARSEO-WFASDCNBSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nc(N[C@H]2c3ccccc3CC[C@@H]2F)cc(-c2nn[n-]n2)n1 ZINC001592383735 1349626000 /nfs/dbraw/zinc/62/60/00/1349626000.db2.gz IEVRWYHKSARSEO-WFASDCNBSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nn(C(C)C)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592429767 1349630712 /nfs/dbraw/zinc/63/07/12/1349630712.db2.gz RKBYBHPJLOVODM-UHFFFAOYSA-N -1 1 327.396 2.165 20 0 EEADMM Cc1nn(C(C)C)cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592429767 1349630716 /nfs/dbraw/zinc/63/07/16/1349630716.db2.gz RKBYBHPJLOVODM-UHFFFAOYSA-N -1 1 327.396 2.165 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1-c1nnn[n-]1 ZINC001592468212 1349634677 /nfs/dbraw/zinc/63/46/77/1349634677.db2.gz HBAQBFKMKCXBNI-JGPRNRPPSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c1-c1nn[n-]n1 ZINC001592468212 1349634680 /nfs/dbraw/zinc/63/46/80/1349634680.db2.gz HBAQBFKMKCXBNI-JGPRNRPPSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccsc2C)c1-c1nnn[n-]1 ZINC001592467865 1349634839 /nfs/dbraw/zinc/63/48/39/1349634839.db2.gz MMKQSNCEKYVEAV-UHFFFAOYSA-N -1 1 334.430 2.207 20 0 EEADMM Cc1nsc(N(C)C(=O)Cc2ccsc2C)c1-c1nn[n-]n1 ZINC001592467865 1349634840 /nfs/dbraw/zinc/63/48/40/1349634840.db2.gz MMKQSNCEKYVEAV-UHFFFAOYSA-N -1 1 334.430 2.207 20 0 EEADMM Cc1nsc(NC[C@H](O)CCc2ccccc2)c1-c1nn[n-]n1 ZINC001592488231 1349636160 /nfs/dbraw/zinc/63/61/60/1349636160.db2.gz ZQJVIEOVMPXYID-GFCCVEGCSA-N -1 1 330.417 2.037 20 0 EEADMM Cc1nsc(NC(=O)NCc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592483122 1349636731 /nfs/dbraw/zinc/63/67/31/1349636731.db2.gz DDQRTOBTPMCWFK-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1nsc(NC(=O)NCc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592483122 1349636744 /nfs/dbraw/zinc/63/67/44/1349636744.db2.gz DDQRTOBTPMCWFK-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cc(OC(C)C)ccn1 ZINC001592503793 1349640343 /nfs/dbraw/zinc/64/03/43/1349640343.db2.gz MRUYYKNCOSQUOS-UHFFFAOYSA-N -1 1 343.343 2.307 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cc(OC(C)C)ccn1 ZINC001592503793 1349640349 /nfs/dbraw/zinc/64/03/49/1349640349.db2.gz MRUYYKNCOSQUOS-UHFFFAOYSA-N -1 1 343.343 2.307 20 0 EEADMM Clc1nc(N2CC[C@@H](Cc3ccncc3)C2)sc1-c1nnn[n-]1 ZINC001592540395 1349652401 /nfs/dbraw/zinc/65/24/01/1349652401.db2.gz JZVPDCCUIBLKBN-JTQLQIEISA-N -1 1 347.835 2.441 20 0 EEADMM Clc1nc(N2CC[C@@H](Cc3ccncc3)C2)sc1-c1nn[n-]n1 ZINC001592540395 1349652402 /nfs/dbraw/zinc/65/24/02/1349652402.db2.gz JZVPDCCUIBLKBN-JTQLQIEISA-N -1 1 347.835 2.441 20 0 EEADMM Clc1nc2ccccc2cc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592539318 1349653208 /nfs/dbraw/zinc/65/32/08/1349653208.db2.gz TTZUSXBJNXLSAU-UHFFFAOYSA-N -1 1 339.746 2.437 20 0 EEADMM Cn1c(COc2cccnc2-c2nnn[n-]2)nc2cc(Cl)ccc21 ZINC001592554038 1349656515 /nfs/dbraw/zinc/65/65/15/1349656515.db2.gz FQCOFQJVZGJHFX-UHFFFAOYSA-N -1 1 341.762 2.381 20 0 EEADMM Cn1c(COc2cccnc2-c2nn[n-]n2)nc2cc(Cl)ccc21 ZINC001592554038 1349656518 /nfs/dbraw/zinc/65/65/18/1349656518.db2.gz FQCOFQJVZGJHFX-UHFFFAOYSA-N -1 1 341.762 2.381 20 0 EEADMM Cn1ccnc1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001592582583 1349661533 /nfs/dbraw/zinc/66/15/33/1349661533.db2.gz WCSPDBLIEFSYHK-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM FC(F)(F)C[C@@H]1CCCC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001592615460 1349672405 /nfs/dbraw/zinc/67/24/05/1349672405.db2.gz YJLIIXQECUXHPV-IUCAKERBSA-N -1 1 327.314 2.002 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592621869 1349677008 /nfs/dbraw/zinc/67/70/08/1349677008.db2.gz CJCDLQRJBLIEBL-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592621869 1349677010 /nfs/dbraw/zinc/67/70/10/1349677010.db2.gz CJCDLQRJBLIEBL-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cc(-c4nnn[n-]4)ncn3)CCO2)cc1 ZINC001592647391 1349692425 /nfs/dbraw/zinc/69/24/25/1349692425.db2.gz RHKOGDNILDTVSI-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cc(-c4nn[n-]n4)ncn3)CCO2)cc1 ZINC001592647391 1349692429 /nfs/dbraw/zinc/69/24/29/1349692429.db2.gz RHKOGDNILDTVSI-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc(C2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC001592647698 1349692934 /nfs/dbraw/zinc/69/29/34/1349692934.db2.gz WYNAFCBYMYIGNQ-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Fc1ccc(C2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC001592647698 1349692942 /nfs/dbraw/zinc/69/29/42/1349692942.db2.gz WYNAFCBYMYIGNQ-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Fc1cccc(CC2CCN(c3ncncc3-c3nn[n-]n3)CC2)c1 ZINC001592655090 1349700286 /nfs/dbraw/zinc/70/02/86/1349700286.db2.gz RCPSODQTUXJUOR-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)Cc1ccccc1Cl ZINC001592881791 1349722146 /nfs/dbraw/zinc/72/21/46/1349722146.db2.gz LMUWMRKDZXXMTB-UHFFFAOYSA-N -1 1 346.730 2.082 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(O)Cc1ccccc1 ZINC001593137567 1349739860 /nfs/dbraw/zinc/73/98/60/1349739860.db2.gz IODSEZUDLABDDP-UHFFFAOYSA-N -1 1 330.373 2.029 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)CCC2=O)c1coc(-c2nnn[n-]2)c1 ZINC001593212459 1349747212 /nfs/dbraw/zinc/74/72/12/1349747212.db2.gz LUVMRNJRGLLQCW-UHFFFAOYSA-N -1 1 343.730 2.494 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)CCC2=O)c1coc(-c2nn[n-]n2)c1 ZINC001593212459 1349747217 /nfs/dbraw/zinc/74/72/17/1349747217.db2.gz LUVMRNJRGLLQCW-UHFFFAOYSA-N -1 1 343.730 2.494 20 0 EEADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1coc(-c2nnn[n-]2)c1 ZINC001593262681 1349754869 /nfs/dbraw/zinc/75/48/69/1349754869.db2.gz NYQCERUMGOHSDC-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1coc(-c2nn[n-]n2)c1 ZINC001593262681 1349754871 /nfs/dbraw/zinc/75/48/71/1349754871.db2.gz NYQCERUMGOHSDC-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(OCCCOC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593287623 1349764337 /nfs/dbraw/zinc/76/43/37/1349764337.db2.gz KKNFMIHZBOPDDY-UHFFFAOYSA-N -1 1 334.229 2.089 20 0 EEADMM O=C(OCCCOC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593287623 1349764342 /nfs/dbraw/zinc/76/43/42/1349764342.db2.gz KKNFMIHZBOPDDY-UHFFFAOYSA-N -1 1 334.229 2.089 20 0 EEADMM O=C(OCc1cc(C(F)(F)F)on1)c1ccc(-c2nnn[n-]2)s1 ZINC001593294122 1349769019 /nfs/dbraw/zinc/76/90/19/1349769019.db2.gz MUBCDFBRHAGCIA-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C(OCc1cc(C(F)(F)F)on1)c1ccc(-c2nn[n-]n2)s1 ZINC001593294122 1349769025 /nfs/dbraw/zinc/76/90/25/1349769025.db2.gz MUBCDFBRHAGCIA-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C(OCc1ccc(Cl)c(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593298473 1349771481 /nfs/dbraw/zinc/77/14/81/1349771481.db2.gz DHODNVXCKDWFTG-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(Cl)c(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593298473 1349771483 /nfs/dbraw/zinc/77/14/83/1349771483.db2.gz DHODNVXCKDWFTG-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1ccc(OCC2CC2)nc1 ZINC001593298191 1349771844 /nfs/dbraw/zinc/77/18/44/1349771844.db2.gz ZTTGABGIRIXJIG-UHFFFAOYSA-N -1 1 341.327 2.001 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1ccc(OCC2CC2)nc1 ZINC001593298191 1349771849 /nfs/dbraw/zinc/77/18/49/1349771849.db2.gz ZTTGABGIRIXJIG-UHFFFAOYSA-N -1 1 341.327 2.001 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001593371913 1349792718 /nfs/dbraw/zinc/79/27/18/1349792718.db2.gz WNWYJIMZXMEGSX-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c1 ZINC001593550441 1349843887 /nfs/dbraw/zinc/84/38/87/1349843887.db2.gz VKKRXTCHWYCTKF-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c1 ZINC001593550441 1349843889 /nfs/dbraw/zinc/84/38/89/1349843889.db2.gz VKKRXTCHWYCTKF-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM CCC(CC)(NCC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)C(=O)[O-] ZINC001595097612 1349881330 /nfs/dbraw/zinc/88/13/30/1349881330.db2.gz BGOZSZWJMYPSQI-KRWDZBQOSA-N -1 1 348.443 2.496 20 0 EEADMM CSc1ncc(C(=O)Nc2cccnc2-n2ccnc2C)c(=O)[n-]1 ZINC001596488718 1349907158 /nfs/dbraw/zinc/90/71/58/1349907158.db2.gz SQBWVOFGEUJAGK-UHFFFAOYSA-N -1 1 342.384 2.046 20 0 EEADMM Cc1cc(NC(=O)c2ccc(CN(C)C)nc2)nc(C)c1C(=O)[O-] ZINC001600275264 1350008505 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1350760782 /nfs/dbraw/zinc/76/07/82/1350760782.db2.gz IEYNCURMLUIANN-MRXNPFEDSA-N -1 1 348.410 2.343 20 0 EEADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001603767753 1350761696 /nfs/dbraw/zinc/76/16/96/1350761696.db2.gz CUAPUTHBTZBCOA-KSSFIOAISA-N -1 1 335.448 2.254 20 0 EEADMM CC1(C)CCC(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603771737 1350762745 /nfs/dbraw/zinc/76/27/45/1350762745.db2.gz FAVHDJPAMCPXJR-UHFFFAOYSA-N -1 1 335.437 2.091 20 0 EEADMM CC1(C)CCC(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603771737 1350762750 /nfs/dbraw/zinc/76/27/50/1350762750.db2.gz FAVHDJPAMCPXJR-UHFFFAOYSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@]1(F)Cl ZINC001603800065 1350770562 /nfs/dbraw/zinc/77/05/62/1350770562.db2.gz HAASNVILRGGTRU-NWDGAFQWSA-N -1 1 329.788 2.363 20 0 EEADMM C[C@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@]1(F)Cl ZINC001603800065 1350770568 /nfs/dbraw/zinc/77/05/68/1350770568.db2.gz HAASNVILRGGTRU-NWDGAFQWSA-N -1 1 329.788 2.363 20 0 EEADMM CC(C)c1[nH]c(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-] ZINC001603985506 1350820016 /nfs/dbraw/zinc/82/00/16/1350820016.db2.gz ATAQNZYSKFDXBU-OKILXGFUSA-N -1 1 337.464 2.377 20 0 EEADMM CC[C@@H](CNc1cc(-c2nnn[n-]2)nc(C)n1)Oc1ccccc1F ZINC001604038079 1350835243 /nfs/dbraw/zinc/83/52/43/1350835243.db2.gz VNBWYHAHLXURFL-NSHDSACASA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H](CNc1cc(-c2nn[n-]n2)nc(C)n1)Oc1ccccc1F ZINC001604038079 1350835244 /nfs/dbraw/zinc/83/52/44/1350835244.db2.gz VNBWYHAHLXURFL-NSHDSACASA-N -1 1 343.366 2.374 20 0 EEADMM C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604269251 1350906372 /nfs/dbraw/zinc/90/63/72/1350906372.db2.gz MJXVWHSAJAAMIU-BMGDILEWSA-N -1 1 344.455 2.452 20 0 EEADMM CCN(CCNc1snc(C)c1-c1nn[n-]n1)C(=O)CC1(C)CC1 ZINC001604316080 1350914240 /nfs/dbraw/zinc/91/42/40/1350914240.db2.gz IPBSZYCOKRSHDJ-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001604521913 1350954367 /nfs/dbraw/zinc/95/43/67/1350954367.db2.gz IHUAOVAOWQJUJL-SECBINFHSA-N -1 1 325.376 2.203 20 0 EEADMM CCc1ccc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001604523949 1350954982 /nfs/dbraw/zinc/95/49/82/1350954982.db2.gz QIEPCVPZGGDAFR-MRXNPFEDSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1ccc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001604523949 1350954984 /nfs/dbraw/zinc/95/49/84/1350954984.db2.gz QIEPCVPZGGDAFR-MRXNPFEDSA-N -1 1 336.399 2.402 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1cnc2ccccc2n1 ZINC001604659126 1350979454 /nfs/dbraw/zinc/97/94/54/1350979454.db2.gz STJYEHZFPXMATM-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1cnc2ccccc2n1 ZINC001604659126 1350979457 /nfs/dbraw/zinc/97/94/57/1350979457.db2.gz STJYEHZFPXMATM-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C)c1nccc2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)ccc21 ZINC001604705109 1350988855 /nfs/dbraw/zinc/98/88/55/1350988855.db2.gz FKDBOHVXWFIJKC-UHFFFAOYSA-N -1 1 349.354 2.326 20 0 EEADMM CN(C)c1nccc2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)ccc21 ZINC001604705109 1350988856 /nfs/dbraw/zinc/98/88/56/1350988856.db2.gz FKDBOHVXWFIJKC-UHFFFAOYSA-N -1 1 349.354 2.326 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001604767681 1350999312 /nfs/dbraw/zinc/99/93/12/1350999312.db2.gz VQJHHAWWYZTDMA-YEWDVWPNSA-N -1 1 341.411 2.278 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(Cc2ccccc2F)CC1 ZINC001604787315 1351002960 /nfs/dbraw/zinc/00/29/60/1351002960.db2.gz AELKICHJXWOQMA-AWEZNQCLSA-N -1 1 348.418 2.156 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)C1CCC1 ZINC001604790783 1351004083 /nfs/dbraw/zinc/00/40/83/1351004083.db2.gz NSOZHDJYYCFCPJ-CYBMUJFWSA-N -1 1 325.453 2.003 20 0 EEADMM CN(Cc1ccsc1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604822397 1351015604 /nfs/dbraw/zinc/01/56/04/1351015604.db2.gz YLBDPSLWWBEFRF-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1ccsc1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604822397 1351015607 /nfs/dbraw/zinc/01/56/07/1351015607.db2.gz YLBDPSLWWBEFRF-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM COC(=O)c1ccc(NCCCc2ccsc2)c(-c2nnn[n-]2)n1 ZINC001604976103 1351043602 /nfs/dbraw/zinc/04/36/02/1351043602.db2.gz ZZZXINRJNNKLMW-UHFFFAOYSA-N -1 1 344.400 2.155 20 0 EEADMM COC(=O)c1ccc(NCCCc2ccsc2)c(-c2nn[n-]n2)n1 ZINC001604976103 1351043603 /nfs/dbraw/zinc/04/36/03/1351043603.db2.gz ZZZXINRJNNKLMW-UHFFFAOYSA-N -1 1 344.400 2.155 20 0 EEADMM COC(=O)c1oc(COc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC001604990284 1351047496 /nfs/dbraw/zinc/04/74/96/1351047496.db2.gz CWNUSOHEKUIWTO-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM COC(=O)c1oc(COc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC001604990284 1351047501 /nfs/dbraw/zinc/04/75/01/1351047501.db2.gz CWNUSOHEKUIWTO-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM CC[C@@](CNC(=O)c1ccc2cncn2c1)(C(=O)[O-])c1ccccc1 ZINC001605039707 1351064700 /nfs/dbraw/zinc/06/47/00/1351064700.db2.gz YUIVHSQAWLOXLE-IBGZPJMESA-N -1 1 337.379 2.497 20 0 EEADMM COCc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001605133672 1351085252 /nfs/dbraw/zinc/08/52/52/1351085252.db2.gz DWOWDBNZBXLIRY-YFHOEESVSA-N -1 1 338.371 2.378 20 0 EEADMM CON(Cc1ccccc1Cl)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605143471 1351087737 /nfs/dbraw/zinc/08/77/37/1351087737.db2.gz WCXZOVUJWYFMQA-UHFFFAOYSA-N -1 1 333.735 2.317 20 0 EEADMM CON(Cc1ccccc1Cl)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605143471 1351087743 /nfs/dbraw/zinc/08/77/43/1351087743.db2.gz WCXZOVUJWYFMQA-UHFFFAOYSA-N -1 1 333.735 2.317 20 0 EEADMM CON(Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001605143455 1351087989 /nfs/dbraw/zinc/08/79/89/1351087989.db2.gz VPXLIYZSKWBAKE-UHFFFAOYSA-N -1 1 344.400 2.201 20 0 EEADMM COc1cc(Cc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)ccc1C ZINC001605222459 1351108258 /nfs/dbraw/zinc/10/82/58/1351108258.db2.gz PWADVNXHULTCOR-UHFFFAOYSA-N -1 1 349.354 2.220 20 0 EEADMM COc1cc(Cc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)ccc1C ZINC001605222459 1351108262 /nfs/dbraw/zinc/10/82/62/1351108262.db2.gz PWADVNXHULTCOR-UHFFFAOYSA-N -1 1 349.354 2.220 20 0 EEADMM COc1cc(F)cc(C[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605224471 1351108577 /nfs/dbraw/zinc/10/85/77/1351108577.db2.gz NYIFJSJMQZBLFK-VIFPVBQESA-N -1 1 343.366 2.156 20 0 EEADMM COc1cc(F)cc(C[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605224471 1351108578 /nfs/dbraw/zinc/10/85/78/1351108578.db2.gz NYIFJSJMQZBLFK-VIFPVBQESA-N -1 1 343.366 2.156 20 0 EEADMM COc1ncc(NC(=O)N2CCCC[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC001605346969 1351142652 /nfs/dbraw/zinc/14/26/52/1351142652.db2.gz LBFQQAZWOBYJLY-ZDUSSCGKSA-N -1 1 345.407 2.313 20 0 EEADMM COc1nccc2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)ccc21 ZINC001605349315 1351142693 /nfs/dbraw/zinc/14/26/93/1351142693.db2.gz BRJVVAPASRQVSH-UHFFFAOYSA-N -1 1 336.311 2.269 20 0 EEADMM COc1nccc2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)ccc21 ZINC001605349315 1351142695 /nfs/dbraw/zinc/14/26/95/1351142695.db2.gz BRJVVAPASRQVSH-UHFFFAOYSA-N -1 1 336.311 2.269 20 0 EEADMM CSC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001605375747 1351147455 /nfs/dbraw/zinc/14/74/55/1351147455.db2.gz HRWCGMQFALOYDP-SNVBAGLBSA-N -1 1 342.428 2.316 20 0 EEADMM CSc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605389139 1351151889 /nfs/dbraw/zinc/15/18/89/1351151889.db2.gz MEUAFGHZBZRWJG-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605389139 1351151892 /nfs/dbraw/zinc/15/18/92/1351151892.db2.gz MEUAFGHZBZRWJG-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CCN(CC(=O)Nc1nc(CC(=O)[O-])cs1)C1CC(C)(C)C1 ZINC001605412443 1351155920 /nfs/dbraw/zinc/15/59/20/1351155920.db2.gz MIMFJMYCVJSTHF-UHFFFAOYSA-N -1 1 325.434 2.219 20 0 EEADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605458313 1351163034 /nfs/dbraw/zinc/16/30/34/1351163034.db2.gz FNIVDGRMDYSDAU-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605458313 1351163037 /nfs/dbraw/zinc/16/30/37/1351163037.db2.gz FNIVDGRMDYSDAU-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001605490478 1351169777 /nfs/dbraw/zinc/16/97/77/1351169777.db2.gz TVHIZSSYJBANHI-UHFFFAOYSA-N -1 1 339.764 2.222 20 0 EEADMM CCOC(=O)C1(C)CC(N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC001605516996 1351176254 /nfs/dbraw/zinc/17/62/54/1351176254.db2.gz GBCMGEDMZRESNR-XNVJVGRKSA-N -1 1 327.327 2.412 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc(C)n1 ZINC001605619684 1351202881 /nfs/dbraw/zinc/20/28/81/1351202881.db2.gz BKSDPMGILIUJQJ-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc(C)n1 ZINC001605619684 1351202884 /nfs/dbraw/zinc/20/28/84/1351202884.db2.gz BKSDPMGILIUJQJ-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605646518 1351209697 /nfs/dbraw/zinc/20/96/97/1351209697.db2.gz TVLNDSBBPASGET-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605646518 1351209698 /nfs/dbraw/zinc/20/96/98/1351209698.db2.gz TVLNDSBBPASGET-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM CCOc1c(Cl)cccc1CN1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605653127 1351210889 /nfs/dbraw/zinc/21/08/89/1351210889.db2.gz NZGRLZUNENLXLB-NWDGAFQWSA-N -1 1 341.791 2.044 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605828019 1351230256 /nfs/dbraw/zinc/23/02/56/1351230256.db2.gz YOUSPLGJFRVVBE-GXFFZTMASA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605828019 1351230260 /nfs/dbraw/zinc/23/02/60/1351230260.db2.gz YOUSPLGJFRVVBE-GXFFZTMASA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc(C2(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)CCC2)cc1 ZINC001605832334 1351231826 /nfs/dbraw/zinc/23/18/26/1351231826.db2.gz RBNLYAJDEPQUDA-UHFFFAOYSA-N -1 1 348.410 2.308 20 0 EEADMM Cc1ccc(C2(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)CCC2)cc1 ZINC001605832334 1351231828 /nfs/dbraw/zinc/23/18/28/1351231828.db2.gz RBNLYAJDEPQUDA-UHFFFAOYSA-N -1 1 348.410 2.308 20 0 EEADMM CCc1ncc(CN[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC001605861343 1351240054 /nfs/dbraw/zinc/24/00/54/1351240054.db2.gz OHLMRKOBPAJFDG-NSHDSACASA-N -1 1 331.372 2.442 20 0 EEADMM Cc1ccc(N[C@@H]2c3ccccc3OC[C@H]2F)nc1-c1nnn[n-]1 ZINC001605871895 1351242504 /nfs/dbraw/zinc/24/25/04/1351242504.db2.gz MVOFYJOANXIRLH-IAQYHMDHSA-N -1 1 326.335 2.454 20 0 EEADMM Cc1ccc(N[C@@H]2c3ccccc3OC[C@H]2F)nc1-c1nn[n-]n1 ZINC001605871895 1351242506 /nfs/dbraw/zinc/24/25/06/1351242506.db2.gz MVOFYJOANXIRLH-IAQYHMDHSA-N -1 1 326.335 2.454 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c(C)n1 ZINC001605870471 1351242694 /nfs/dbraw/zinc/24/26/94/1351242694.db2.gz JNVHHUCLWAWUKU-UHFFFAOYSA-N -1 1 329.751 2.179 20 0 EEADMM Cc1ccc2c(CCNc3ccc(-c4nnn[n-]4)nn3)cn(C)c2c1 ZINC001605888031 1351246854 /nfs/dbraw/zinc/24/68/54/1351246854.db2.gz VTCWXPPDEWEPJD-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1ccc2c(CCNc3ccc(-c4nn[n-]n4)nn3)cn(C)c2c1 ZINC001605888031 1351246856 /nfs/dbraw/zinc/24/68/56/1351246856.db2.gz VTCWXPPDEWEPJD-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1ccc2[nH]c(C(=O)NCc3nc(-c4nnn[n-]4)cs3)cc2c1 ZINC001605887157 1351246891 /nfs/dbraw/zinc/24/68/91/1351246891.db2.gz GMWJCTKPELBNQC-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM Cc1ccc2[nH]c(C(=O)NCc3nc(-c4nn[n-]n4)cs3)cc2c1 ZINC001605887157 1351246894 /nfs/dbraw/zinc/24/68/94/1351246894.db2.gz GMWJCTKPELBNQC-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM CCc1oc2ccccc2c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001605891902 1351248011 /nfs/dbraw/zinc/24/80/11/1351248011.db2.gz DMZQZUTZJVMMHF-LBPRGKRZSA-N -1 1 327.340 2.144 20 0 EEADMM Cc1csc2ncn(Cc3ccc(-c4nn[n-]n4)s3)c(=O)c12 ZINC001606006948 1351262464 /nfs/dbraw/zinc/26/24/64/1351262464.db2.gz GWVSOIMWAOHQMD-UHFFFAOYSA-N -1 1 330.398 2.056 20 0 EEADMM Cc1noc2ncc(NC(=O)c3ccsc3-c3nnn[n-]3)cc12 ZINC001606135031 1351277577 /nfs/dbraw/zinc/27/75/77/1351277577.db2.gz JKYQPSUIHIMDRL-UHFFFAOYSA-N -1 1 327.329 2.025 20 0 EEADMM Cc1noc2ncc(NC(=O)c3ccsc3-c3nn[n-]n3)cc12 ZINC001606135031 1351277580 /nfs/dbraw/zinc/27/75/80/1351277580.db2.gz JKYQPSUIHIMDRL-UHFFFAOYSA-N -1 1 327.329 2.025 20 0 EEADMM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001606177485 1351282618 /nfs/dbraw/zinc/28/26/18/1351282618.db2.gz KEERPONBDAUGAY-DTWKUNHWSA-N -1 1 341.289 2.261 20 0 EEADMM Cn1nc([C@@H]2CCCOC2)cc1NCc1csc(-c2nn[n-]n2)c1 ZINC001606268914 1351287948 /nfs/dbraw/zinc/28/79/48/1351287948.db2.gz VGBANKXWXYLKEM-LLVKDONJSA-N -1 1 345.432 2.168 20 0 EEADMM NC(=O)[C@@H](Cc1ccccc1)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001606402187 1351301059 /nfs/dbraw/zinc/30/10/59/1351301059.db2.gz QVTXJYCVBUXUEJ-CYBMUJFWSA-N -1 1 343.387 2.195 20 0 EEADMM COC(=O)c1cccc([C@@H](NCc2ccc(Cl)nc2)C(=O)[O-])c1 ZINC001606611226 1351331590 /nfs/dbraw/zinc/33/15/90/1351331590.db2.gz LDLXGIQBIKXUEL-CQSZACIVSA-N -1 1 334.759 2.437 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)Nc2ccc(C)cc2C)C(=O)[O-])C1 ZINC001606743698 1351350457 /nfs/dbraw/zinc/35/04/57/1351350457.db2.gz VBARXWVCWHMEFU-HDMKZQKVSA-N -1 1 348.443 2.490 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC001606779585 1351355981 /nfs/dbraw/zinc/35/59/81/1351355981.db2.gz DXBLEXFCXGSSSH-UHFFFAOYSA-N -1 1 349.431 2.268 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C1(F)CCCCC1 ZINC001606816545 1351359838 /nfs/dbraw/zinc/35/98/38/1351359838.db2.gz GQYLLOZFJYSDOL-UHFFFAOYSA-N -1 1 339.321 2.434 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1(F)CCCCC1 ZINC001606816545 1351359840 /nfs/dbraw/zinc/35/98/40/1351359840.db2.gz GQYLLOZFJYSDOL-UHFFFAOYSA-N -1 1 339.321 2.434 20 0 EEADMM COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCCCC(=O)[O-] ZINC001606864759 1351367773 /nfs/dbraw/zinc/36/77/73/1351367773.db2.gz JDSDCBBHTBOOGZ-CQSZACIVSA-N -1 1 344.452 2.199 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1Cc2cccc(Cl)c2C1 ZINC001606943687 1351381359 /nfs/dbraw/zinc/38/13/59/1351381359.db2.gz DRUWBIOGIUZHTJ-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1Cc2cccc(Cl)c2C1 ZINC001606943687 1351381360 /nfs/dbraw/zinc/38/13/60/1351381360.db2.gz DRUWBIOGIUZHTJ-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1c1ccc(O)cc1 ZINC001607016576 1351397651 /nfs/dbraw/zinc/39/76/51/1351397651.db2.gz AFILRRHYZJPRON-LBPRGKRZSA-N -1 1 325.328 2.143 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1c1ccc(O)cc1 ZINC001607016576 1351397653 /nfs/dbraw/zinc/39/76/53/1351397653.db2.gz AFILRRHYZJPRON-LBPRGKRZSA-N -1 1 325.328 2.143 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCn2c3ccccc3nc21 ZINC001607022367 1351399966 /nfs/dbraw/zinc/39/99/66/1351399966.db2.gz OEHADKPQQBIAIT-UHFFFAOYSA-N -1 1 349.329 2.016 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCn2c3ccccc3nc21 ZINC001607022367 1351399967 /nfs/dbraw/zinc/39/99/67/1351399967.db2.gz OEHADKPQQBIAIT-UHFFFAOYSA-N -1 1 349.329 2.016 20 0 EEADMM O=c1[nH]c2c(cc1CNc1nc(-c3nn[n-]n3)c(Cl)s1)CCC2 ZINC001607087918 1351413069 /nfs/dbraw/zinc/41/30/69/1351413069.db2.gz AHCRZPXVDOWHPF-UHFFFAOYSA-N -1 1 349.807 2.178 20 0 EEADMM OCC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC001607107443 1351420897 /nfs/dbraw/zinc/42/08/97/1351420897.db2.gz UOGDLPMIYAGTSN-ZDUSSCGKSA-N -1 1 348.769 2.012 20 0 EEADMM OCC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC001607107443 1351420900 /nfs/dbraw/zinc/42/09/00/1351420900.db2.gz UOGDLPMIYAGTSN-ZDUSSCGKSA-N -1 1 348.769 2.012 20 0 EEADMM c1ccc(COCCCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607128345 1351431589 /nfs/dbraw/zinc/43/15/89/1351431589.db2.gz AETLSVFGRCGDRL-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM c1ccc(COCCCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607128345 1351431590 /nfs/dbraw/zinc/43/15/90/1351431590.db2.gz AETLSVFGRCGDRL-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001607130260 1351432395 /nfs/dbraw/zinc/43/23/95/1351432395.db2.gz LKTLAXZUUIZAEO-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001607130260 1351432398 /nfs/dbraw/zinc/43/23/98/1351432398.db2.gz LKTLAXZUUIZAEO-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM COc1ccc(-c2nc(CN[C@]3(CC(=O)[O-])CCOC3)co2)cc1 ZINC001607196811 1351447735 /nfs/dbraw/zinc/44/77/35/1351447735.db2.gz FVQNWFDAZKHSKY-KRWDZBQOSA-N -1 1 332.356 2.074 20 0 EEADMM COc1ccc(/C(C)=C\C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC001607220594 1351451745 /nfs/dbraw/zinc/45/17/45/1351451745.db2.gz RWELZMNPAZMVPN-ZSMUJPCHSA-N -1 1 346.427 2.106 20 0 EEADMM COc1cccc([C@H](C(=O)[O-])N2CCN(c3ccnc(F)c3)CC2)c1 ZINC001607313484 1351471527 /nfs/dbraw/zinc/47/15/27/1351471527.db2.gz WXZNAFKJVKCBAC-QGZVFWFLSA-N -1 1 345.374 2.177 20 0 EEADMM Cc1cc(CNCc2n[nH]c(C3CC3)n2)cc(C)c1OCC(=O)[O-] ZINC001607649718 1351533136 /nfs/dbraw/zinc/53/31/36/1351533136.db2.gz INMSMKNPLUQROX-UHFFFAOYSA-N -1 1 330.388 2.052 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC001607740866 1351550230 /nfs/dbraw/zinc/55/02/30/1351550230.db2.gz BYVWPLQTHXQWNC-AWEZNQCLSA-N -1 1 348.399 2.351 20 0 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EEADMM O=C(Nc1cscc1Cl)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001651293741 1354047751 /nfs/dbraw/zinc/04/77/51/1354047751.db2.gz ZMXTYZKBVQVLIV-UHFFFAOYSA-N -1 1 336.760 2.233 20 0 EEADMM COc1ccc2c(c1)[n-]cc(C(=O)N1Cc3ccc(O)cc3C1)c2=O ZINC001654734180 1354156196 /nfs/dbraw/zinc/15/61/96/1354156196.db2.gz AILQCDRCLHFXCM-UHFFFAOYSA-N -1 1 336.347 2.398 20 0 EEADMM CCc1cc2ncc(NC(=O)c3c([O-])cc(OC)cc3OC)cn2n1 ZINC001190109962 1368394657 /nfs/dbraw/zinc/39/46/57/1368394657.db2.gz FBDLTPMVITYJFZ-UHFFFAOYSA-N -1 1 342.355 2.267 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCCc1ccncc1 ZINC001201768649 1368841837 /nfs/dbraw/zinc/84/18/37/1368841837.db2.gz HDMAGXWSMCCDPR-UHFFFAOYSA-N -1 1 331.850 2.411 20 0 EEADMM CCCCOC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759705 1369298959 /nfs/dbraw/zinc/29/89/59/1369298959.db2.gz SGQDKXHHFCLNPX-NEPJUHHUSA-N -1 1 338.370 2.109 20 0 EEADMM C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757868 1369299137 /nfs/dbraw/zinc/29/91/37/1369299137.db2.gz ORGAOWIBIMQAST-MFKMUULPSA-N -1 1 340.349 2.452 20 0 EEADMM C[C@@H]1CCN(C(=O)N[C@H]2CC=CCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853764127 1369375420 /nfs/dbraw/zinc/37/54/20/1369375420.db2.gz QVFBNZVALRPIRQ-WOPDTQHZSA-N -1 1 333.354 2.194 20 0 EEADMM CCC[C@@H](OCC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000862145987 1369521057 /nfs/dbraw/zinc/52/10/57/1369521057.db2.gz RWOCGAHQZATNPC-IJLUTSLNSA-N -1 1 338.370 2.250 20 0 EEADMM CC(C)c1ncsc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831122099 1372364974 /nfs/dbraw/zinc/36/49/74/1372364974.db2.gz VBIPFFXOCYIKCS-UHFFFAOYSA-N -1 1 335.351 2.017 20 0 EEADMM Cc1cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c(C)n1C(C)C ZINC000831158571 1372368963 /nfs/dbraw/zinc/36/89/63/1372368963.db2.gz MNWDVDXTPMPTEY-UHFFFAOYSA-N -1 1 345.365 2.436 20 0 EEADMM CC1(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001389577360 1388199355 /nfs/dbraw/zinc/19/93/55/1388199355.db2.gz XHKWYQXSSVDSBG-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001362217173 1373378565 /nfs/dbraw/zinc/37/85/65/1373378565.db2.gz TXYVFYFSYCVWIJ-NSHDSACASA-N -1 1 349.412 2.116 20 0 EEADMM CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC001362270787 1373386657 /nfs/dbraw/zinc/38/66/57/1373386657.db2.gz ZOWDKGBLRVIWRR-UHFFFAOYSA-N -1 1 337.395 2.234 20 0 EEADMM O=S(=O)([N-]C[C@H](O)COc1ccccc1)c1sccc1Cl ZINC001363931620 1373557749 /nfs/dbraw/zinc/55/77/49/1373557749.db2.gz FRKRDWSXZYOKTG-JTQLQIEISA-N -1 1 347.845 2.120 20 0 EEADMM CCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001372485145 1376033402 /nfs/dbraw/zinc/03/34/02/1376033402.db2.gz NSDBIZVTNPVPHW-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CCCCC(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001390396560 1388623014 /nfs/dbraw/zinc/62/30/14/1388623014.db2.gz YDFLKDHTPAVJRX-GOSISDBHSA-N -1 1 333.432 2.336 20 0 EEADMM CCCC[C@H](CNC(=O)[C@@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001383223928 1382402959 /nfs/dbraw/zinc/40/29/59/1382402959.db2.gz NKKRREIWNMVZKR-GXTWGEPZSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001383225996 1382403731 /nfs/dbraw/zinc/40/37/31/1382403731.db2.gz JZEBRZNDXWTKPD-OCCSQVGLSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1ccsc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001383707585 1382666235 /nfs/dbraw/zinc/66/62/35/1382666235.db2.gz YUXJJOQFBQFZAR-LLVKDONJSA-N -1 1 333.413 2.048 20 0 EEADMM CCN(C(=O)c1ccc(F)cc1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383718947 1382686324 /nfs/dbraw/zinc/68/63/24/1382686324.db2.gz UZBYNWULECXMMO-GFCCVEGCSA-N -1 1 345.374 2.207 20 0 EEADMM Cc1c(F)cccc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001383730177 1382691200 /nfs/dbraw/zinc/69/12/00/1382691200.db2.gz UAMVEISHCKMXHN-LLVKDONJSA-N -1 1 345.374 2.125 20 0 EEADMM CCC(CC)C(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390830507 1388807119 /nfs/dbraw/zinc/80/71/19/1388807119.db2.gz XIVGASKQCPSDPP-GOSISDBHSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385540553 1385662540 /nfs/dbraw/zinc/66/25/40/1385662540.db2.gz WGMPHMIGMIAEPR-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)CCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001385645363 1385738939 /nfs/dbraw/zinc/73/89/39/1385738939.db2.gz NVSSLVHLJFCDNF-HNNXBMFYSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001387800334 1387005731 /nfs/dbraw/zinc/00/57/31/1387005731.db2.gz XJZYDRSPYUSCLI-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@H](C(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-])C(C)C ZINC001388054232 1387160052 /nfs/dbraw/zinc/16/00/52/1387160052.db2.gz FGWONZXNAVIIOB-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C)c1C ZINC001388056342 1387160501 /nfs/dbraw/zinc/16/05/01/1387160501.db2.gz MUQLLPJTONGRJS-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001391808234 1389619729 /nfs/dbraw/zinc/61/97/29/1389619729.db2.gz OPOCHVQRIFGVQG-QGZVFWFLSA-N -1 1 339.411 2.236 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1cnc(Cl)s1 ZINC001394061431 1390600072 /nfs/dbraw/zinc/60/00/72/1390600072.db2.gz DPMNGJWCZCAMAM-VIFPVBQESA-N -1 1 340.836 2.147 20 0 EEADMM CCC[C@H](C)CC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001396187203 1390919556 /nfs/dbraw/zinc/91/95/56/1390919556.db2.gz ITVGMKLIRBCQED-HSBZDZAISA-N -1 1 333.432 2.333 20 0 EEADMM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396883375 1390985354 /nfs/dbraw/zinc/98/53/54/1390985354.db2.gz XQQKOSDOIIONHJ-VXGBXAGGSA-N -1 1 337.395 2.035 20 0 EEADMM CC[C@H](C)CC(=O)N[C@H](C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397785051 1391478843 /nfs/dbraw/zinc/47/88/43/1391478843.db2.gz DKYRAQZKRWSHBD-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM Cc1ccc(C(=O)NC[C@](C)(NC(=O)c2ncccc2[O-])C2CC2)o1 ZINC001399197844 1394802526 /nfs/dbraw/zinc/80/25/26/1394802526.db2.gz KYEQHPIXTWHESX-SFHVURJKSA-N -1 1 343.383 2.017 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CCC1CC1 ZINC001400344214 1396215189 /nfs/dbraw/zinc/21/51/89/1396215189.db2.gz COCYTDYSCVBKNY-LSDHHAIUSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2O)c(F)c1 ZINC001423720050 1400767301 /nfs/dbraw/zinc/76/73/01/1400767301.db2.gz MOTYWUOELKIVIO-UHFFFAOYSA-N -1 1 327.352 2.500 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C/C=C\c2cccnc2)c(F)c1 ZINC001424346292 1401080085 /nfs/dbraw/zinc/08/00/85/1401080085.db2.gz DEPGHJDORSGCOQ-HYXAFXHYSA-N -1 1 340.351 2.360 20 0 EEADMM CC1(CC(=O)NC[C@H]2CCCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001424468140 1401124791 /nfs/dbraw/zinc/12/47/91/1401124791.db2.gz RNMKSYNBMVGNOZ-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCC1 ZINC001426024207 1401857379 /nfs/dbraw/zinc/85/73/79/1401857379.db2.gz VIHCCSZXMNLTGY-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001428971586 1402862076 /nfs/dbraw/zinc/86/20/76/1402862076.db2.gz JLVQRMVJLZXXKR-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cccs1 ZINC001431795230 1403128397 /nfs/dbraw/zinc/12/83/97/1403128397.db2.gz LRAAWSBQLVYRLJ-UHFFFAOYSA-N -1 1 333.413 2.131 20 0 EEADMM Cc1coc(C(=O)N[C@@](C)(CNC(=O)c2ncccc2[O-])C2CC2)c1 ZINC001432882922 1403312737 /nfs/dbraw/zinc/31/27/37/1403312737.db2.gz QOWARSJLVPEDJK-SFHVURJKSA-N -1 1 343.383 2.017 20 0 EEADMM O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc([O-])cc1O ZINC000016208615 1403637413 /nfs/dbraw/zinc/63/74/13/1403637413.db2.gz XHDHAKWYVVWQIO-UHFFFAOYSA-N -1 1 339.303 2.391 20 0 EEADMM CCOc1cccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001578402811 1403747081 /nfs/dbraw/zinc/74/70/81/1403747081.db2.gz ZMBFCDTZANYJCF-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM CCOc1cccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001578402811 1403747084 /nfs/dbraw/zinc/74/70/84/1403747084.db2.gz ZMBFCDTZANYJCF-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM COC(=O)c1ccc(NCc2ccc(C)s2)c(-c2nnn[n-]2)n1 ZINC001579484302 1403784390 /nfs/dbraw/zinc/78/43/90/1403784390.db2.gz AFOFMSGEZBVYOE-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COC(=O)c1ccc(NCc2ccc(C)s2)c(-c2nn[n-]n2)n1 ZINC001579484302 1403784395 /nfs/dbraw/zinc/78/43/95/1403784395.db2.gz AFOFMSGEZBVYOE-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001580050256 1403813962 /nfs/dbraw/zinc/81/39/62/1403813962.db2.gz NSCVLVSGSCXCSS-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001580050256 1403813972 /nfs/dbraw/zinc/81/39/72/1403813972.db2.gz NSCVLVSGSCXCSS-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001592128764 1404001181 /nfs/dbraw/zinc/00/11/81/1404001181.db2.gz XESSWSISHJGNOC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001592128764 1404001188 /nfs/dbraw/zinc/00/11/88/1404001188.db2.gz XESSWSISHJGNOC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1nc(NCC2(c3cccc(F)c3)CC2)cc(-c2nnn[n-]2)n1 ZINC001592388404 1404025734 /nfs/dbraw/zinc/02/57/34/1404025734.db2.gz TWGZRLQDCYUKPA-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1nc(NCC2(c3cccc(F)c3)CC2)cc(-c2nn[n-]n2)n1 ZINC001592388404 1404025747 /nfs/dbraw/zinc/02/57/47/1404025747.db2.gz TWGZRLQDCYUKPA-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1nc(NC[C@]2(C)CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592386648 1404027202 /nfs/dbraw/zinc/02/72/02/1404027202.db2.gz XEYQTYIEKCXCCW-OAHLLOKOSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NC[C@]2(C)CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592386648 1404027211 /nfs/dbraw/zinc/02/72/11/1404027211.db2.gz XEYQTYIEKCXCCW-OAHLLOKOSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2ncccc2c1 ZINC001592500378 1404705214 /nfs/dbraw/zinc/70/52/14/1404705214.db2.gz FERUVOPQCBWJKE-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2ncccc2c1 ZINC001592500378 1404705219 /nfs/dbraw/zinc/70/52/19/1404705219.db2.gz FERUVOPQCBWJKE-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(C(=O)[O-])ccn3)cccc21 ZINC001606016411 1404754841 /nfs/dbraw/zinc/75/48/41/1404754841.db2.gz LKRTVGOCAOJWAT-OAHLLOKOSA-N -1 1 341.367 2.417 20 0 EEADMM Cc1nc(NC2CCC3(CCOCC3)CC2)cc(-c2nnn[n-]2)n1 ZINC001606064048 1404761011 /nfs/dbraw/zinc/76/10/11/1404761011.db2.gz VOGPDYJXQYVKGL-UHFFFAOYSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NC2CCC3(CCOCC3)CC2)cc(-c2nn[n-]n2)n1 ZINC001606064048 1404761013 /nfs/dbraw/zinc/76/10/13/1404761013.db2.gz VOGPDYJXQYVKGL-UHFFFAOYSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(Nc2ccc(NC(=O)C3CC3)cc2)cc(-c2nnn[n-]2)n1 ZINC001606078932 1404764696 /nfs/dbraw/zinc/76/46/96/1404764696.db2.gz FDEDGQFLLOWAAQ-UHFFFAOYSA-N -1 1 336.359 2.057 20 0 EEADMM Cc1nc(Nc2ccc(NC(=O)C3CC3)cc2)cc(-c2nn[n-]n2)n1 ZINC001606078932 1404764701 /nfs/dbraw/zinc/76/47/01/1404764701.db2.gz FDEDGQFLLOWAAQ-UHFFFAOYSA-N -1 1 336.359 2.057 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001606149210 1404768964 /nfs/dbraw/zinc/76/89/64/1404768964.db2.gz IVBJLFADXMXFAD-UHFFFAOYSA-N -1 1 347.379 2.435 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001606149210 1404768966 /nfs/dbraw/zinc/76/89/66/1404768966.db2.gz IVBJLFADXMXFAD-UHFFFAOYSA-N -1 1 347.379 2.435 20 0 EEADMM Cc1oc(C)c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1C ZINC001606173679 1404772421 /nfs/dbraw/zinc/77/24/21/1404772421.db2.gz CBUQOGSGIVFVOG-UHFFFAOYSA-N -1 1 327.348 2.238 20 0 EEADMM CN[C@H](C)c1cn(Cc2cc(Br)ccc2C(=O)[O-])nn1 ZINC001606295577 1404779997 /nfs/dbraw/zinc/77/99/97/1404779997.db2.gz REWRWNTYUDERPC-MRVPVSSYSA-N -1 1 339.193 2.068 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccnc(Cl)c3)ccc21 ZINC000180245080 1405819967 /nfs/dbraw/zinc/81/99/67/1405819967.db2.gz MFLHLAWPEJZDMV-UHFFFAOYSA-N -1 1 337.788 2.055 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)CC(C)(C)OC ZINC001771609624 1406143996 /nfs/dbraw/zinc/14/39/96/1406143996.db2.gz QHPZNBLNYDUFKZ-SECBINFHSA-N -1 1 337.388 2.455 20 0 EEADMM Cc1cc(C(=O)NCCC[C@@H](C)NC(=O)c2ncccc2[O-])oc1C ZINC001756296728 1408299295 /nfs/dbraw/zinc/29/92/95/1408299295.db2.gz WZIRVDCAXWEPFC-GFCCVEGCSA-N -1 1 345.399 2.326 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@@H]1C=CCCC1 ZINC001756445389 1408504251 /nfs/dbraw/zinc/50/42/51/1408504251.db2.gz LVMUISOCBGBBBT-ZIAGYGMSSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001772457216 1410196961 /nfs/dbraw/zinc/19/69/61/1410196961.db2.gz DYYMOFQVIRWEDH-ZYHUDNBSSA-N -1 1 347.806 2.078 20 0 EEADMM CCCC(=O)N1CCC([C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001075444731 760263053 /nfs/dbraw/zinc/26/30/53/760263053.db2.gz JXVKCGGNOPDTPO-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM Cc1ccnc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935936 765607757 /nfs/dbraw/zinc/60/77/57/765607757.db2.gz YPATYEJNQGBXMZ-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2F)n1 ZINC000692801054 769735690 /nfs/dbraw/zinc/73/56/90/769735690.db2.gz FMYWWOLZHQWTBD-UHFFFAOYSA-N -1 1 335.813 2.160 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673525 770827872 /nfs/dbraw/zinc/82/78/72/770827872.db2.gz PAZMQJNISJXGTO-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(C[C@H]1C=CCC1)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980032957 773750912 /nfs/dbraw/zinc/75/09/12/773750912.db2.gz GGFBXLIOQTWAFL-NFOMZHRRSA-N -1 1 343.427 2.301 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000942756855 783142485 /nfs/dbraw/zinc/14/24/85/783142485.db2.gz RWWDLOQOAPTMMR-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3scc(C)c3Cl)nc2n1 ZINC001131778611 783229353 /nfs/dbraw/zinc/22/93/53/783229353.db2.gz PXZQIRBJOLCEEZ-UHFFFAOYSA-N -1 1 337.792 2.256 20 0 EEADMM O=C(CC1CCCCCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000939000084 775141760 /nfs/dbraw/zinc/14/17/60/775141760.db2.gz LPURZGITZBHPGS-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000317434948 776392662 /nfs/dbraw/zinc/39/26/62/776392662.db2.gz QVLXEBOJEJECCT-UHFFFAOYSA-N -1 1 328.365 2.448 20 0 EEADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC000319805677 778143909 /nfs/dbraw/zinc/14/39/09/778143909.db2.gz BBGYVGZQCVGWDT-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000940628822 779002297 /nfs/dbraw/zinc/00/22/97/779002297.db2.gz XTNOBPVITNJHNC-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)c2C1 ZINC000893796885 780180130 /nfs/dbraw/zinc/18/01/30/780180130.db2.gz WNJKRJSKSVEVFV-VIFPVBQESA-N -1 1 349.403 2.030 20 0 EEADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])CCCCC1 ZINC000936968058 780606615 /nfs/dbraw/zinc/60/66/15/780606615.db2.gz ZYXOEJMNETXFSB-KBPBESRZSA-N -1 1 343.427 2.183 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1CCCCC1 ZINC000945290063 783769805 /nfs/dbraw/zinc/76/98/05/783769805.db2.gz RAAJXJKJFWLPLG-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](C)C2)CCC1 ZINC000945451549 784144153 /nfs/dbraw/zinc/14/41/53/784144153.db2.gz KWSVRRJCFQXMAR-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)C1CC=CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945625318 784462067 /nfs/dbraw/zinc/46/20/67/784462067.db2.gz WBCOMAICBJXNEE-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC000945678386 784610983 /nfs/dbraw/zinc/61/09/83/784610983.db2.gz QNMCSOFSWHULAC-KGLIPLIRSA-N -1 1 347.463 2.132 20 0 EEADMM O=C(CCc1cc(Cl)cs1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473893 784642455 /nfs/dbraw/zinc/64/24/55/784642455.db2.gz HLZCDGIVTBIKAM-JTQLQIEISA-N -1 1 343.865 2.164 20 0 EEADMM O=C(CC1CC(c2ccccc2)C1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907476328 784646141 /nfs/dbraw/zinc/64/61/41/784646141.db2.gz CJGFPWBCORGSMQ-PESDSKBTSA-N -1 1 343.456 2.400 20 0 EEADMM O=C(c1ccc(C2CCC2)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480319 784687091 /nfs/dbraw/zinc/68/70/91/784687091.db2.gz SFLKMBVSPMDUCD-AWEZNQCLSA-N -1 1 329.429 2.398 20 0 EEADMM CCCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](CC)OC)cc1 ZINC000817348121 784687901 /nfs/dbraw/zinc/68/79/01/784687901.db2.gz GZFXFJISRGBMQT-CQSZACIVSA-N -1 1 329.418 2.420 20 0 EEADMM O=C(NOCCC1CC1)c1cc(I)ccc1[O-] ZINC000817416746 784768059 /nfs/dbraw/zinc/76/80/59/784768059.db2.gz SIAHXEGCMSBFRN-UHFFFAOYSA-N -1 1 347.152 2.458 20 0 EEADMM CCc1cc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)nn1C ZINC000817500344 784820674 /nfs/dbraw/zinc/82/06/74/784820674.db2.gz LDYQPMLQURBPBL-UHFFFAOYSA-N -1 1 335.433 2.080 20 0 EEADMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cnc(C2CC2)[n-]c1=O ZINC000907769659 784851385 /nfs/dbraw/zinc/85/13/85/784851385.db2.gz CURONBXGBXJMQG-CYBMUJFWSA-N -1 1 325.368 2.053 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945870521 785000980 /nfs/dbraw/zinc/00/09/80/785000980.db2.gz 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COc1ccc(SCCC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742685 794202413 /nfs/dbraw/zinc/20/24/13/794202413.db2.gz PTBLRQRUVDZGLO-UHFFFAOYSA-N -1 1 347.444 2.097 20 0 EEADMM O=C(c1cccn1Cc1cccs1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743387 794204767 /nfs/dbraw/zinc/20/47/67/794204767.db2.gz SRAKVJIFESWGHJ-UHFFFAOYSA-N -1 1 342.428 2.131 20 0 EEADMM O=C(c1cc2sccc2c(O)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744896 794210851 /nfs/dbraw/zinc/21/08/51/794210851.db2.gz JKTHQIKYDZMQML-UHFFFAOYSA-N -1 1 329.385 2.140 20 0 EEADMM CCCOc1cc(OC)ccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745280 794212139 /nfs/dbraw/zinc/21/21/39/794212139.db2.gz WRSSLZKAWHJNBZ-UHFFFAOYSA-N -1 1 345.403 2.017 20 0 EEADMM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])C=CCC1 ZINC000999399330 794384298 /nfs/dbraw/zinc/38/42/98/794384298.db2.gz YUEBUJBHWURAFS-UMCXVIDHSA-N -1 1 341.411 2.005 20 0 EEADMM O=C(N[C@H]1CCCN(Cc2coc(C3CC3)n2)C1)c1ncccc1[O-] ZINC001007177232 794562071 /nfs/dbraw/zinc/56/20/71/794562071.db2.gz KNPLXHWHPVRFOF-ZDUSSCGKSA-N -1 1 342.399 2.047 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C/C=C/c3ccccc3)C[C@H]2C)c1[O-] ZINC001079578089 794956370 /nfs/dbraw/zinc/95/63/70/794956370.db2.gz ZXOJFUJGXBVBIQ-OKZVOGLASA-N -1 1 340.427 2.187 20 0 EEADMM Cc1cc2ncnc(NCCNC(=O)c3ncccc3[O-])c2cc1C ZINC001093562795 795419952 /nfs/dbraw/zinc/41/99/52/795419952.db2.gz HTQXPOZOFQTQSF-UHFFFAOYSA-N -1 1 337.383 2.189 20 0 EEADMM CCN(C(=O)C[C@@H]1C=CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079992925 795441089 /nfs/dbraw/zinc/44/10/89/795441089.db2.gz UOVNRVOKBBWIDZ-CQSZACIVSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1ccc2oc(NCCCNC(=O)c3ncccc3[O-])nc2c1 ZINC001094375731 796183768 /nfs/dbraw/zinc/18/37/68/796183768.db2.gz NIOOQEKLFIWVES-UHFFFAOYSA-N -1 1 326.356 2.469 20 0 EEADMM Cc1cc(NC2CCC(NC(=O)c3ncccc3[O-])CC2)nc(C)n1 ZINC001060589385 796697388 /nfs/dbraw/zinc/69/73/88/796697388.db2.gz RPHDLLMVPCTVAV-UHFFFAOYSA-N -1 1 341.415 2.347 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])CCCC1 ZINC001082022412 797080803 /nfs/dbraw/zinc/08/08/03/797080803.db2.gz BGYFFOUAGGKMLC-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)c1ccccc1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000994120774 797302668 /nfs/dbraw/zinc/30/26/68/797302668.db2.gz MMIZXUPTTTWWMG-UHFFFAOYSA-N -1 1 339.395 2.165 20 0 EEADMM CCCCNC(=O)c1cccc(Nc2c(N)[nH]c(=S)[n-]c2=O)c1 ZINC001174189256 797711297 /nfs/dbraw/zinc/71/12/97/797711297.db2.gz QTEJHEZEJYQTFH-UHFFFAOYSA-N -1 1 333.417 2.327 20 0 EEADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc(CN2CCOCC2)cc1 ZINC001174447457 797757512 /nfs/dbraw/zinc/75/75/12/797757512.db2.gz DMLVYKJZLKZIBO-UHFFFAOYSA-N -1 1 347.400 2.445 20 0 EEADMM Cc1ccnc(N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061074059 797933003 /nfs/dbraw/zinc/93/30/03/797933003.db2.gz BJKNMIAPSGSXFO-STQMWFEESA-N -1 1 327.388 2.039 20 0 EEADMM COC(=O)C1(c2ccc(Nc3c(N)[nH]c(=S)[n-]c3=O)cc2)CC1 ZINC001175919789 798287489 /nfs/dbraw/zinc/28/74/89/798287489.db2.gz YREPPSMYJUYVGM-UHFFFAOYSA-N -1 1 332.385 2.001 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCc2cccc(C)n2)c(=O)[n-]1 ZINC000154553597 798390882 /nfs/dbraw/zinc/39/08/82/798390882.db2.gz PSWIDWPEUJXDSN-UHFFFAOYSA-N -1 1 333.413 2.180 20 0 EEADMM COc1ccccc1Oc1ccc(NC(=O)Cc2nn[n-]n2)cc1 ZINC001176842967 798598471 /nfs/dbraw/zinc/59/84/71/798598471.db2.gz XFVFJMSSBLLQOH-UHFFFAOYSA-N -1 1 325.328 2.182 20 0 EEADMM CCCCCCN1CCO[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001176982866 798672729 /nfs/dbraw/zinc/67/27/29/798672729.db2.gz KDYXOUSDIOWKFZ-NVXWUHKLSA-N -1 1 347.459 2.283 20 0 EEADMM CC(C)c1cc(N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001065245358 798804487 /nfs/dbraw/zinc/80/44/87/798804487.db2.gz RTNFNBQZMPAHGS-GOSISDBHSA-N -1 1 341.415 2.099 20 0 EEADMM Cc1cc2c(cc1C)O[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C2 ZINC000786387604 806765067 /nfs/dbraw/zinc/76/50/67/806765067.db2.gz WHNYMCPRQLHVPB-ZDUSSCGKSA-N -1 1 345.317 2.219 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066076215 799972571 /nfs/dbraw/zinc/97/25/71/799972571.db2.gz CUYSPNHBJGMXFZ-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM CSCC[C@H](NC(=O)c1cccc(Cl)c1F)c1nn[n-]n1 ZINC000824911461 800300962 /nfs/dbraw/zinc/30/09/62/800300962.db2.gz AMJOHPCXHCWIIB-VIFPVBQESA-N -1 1 329.788 2.216 20 0 EEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1C1OCCO1 ZINC000888437023 800360022 /nfs/dbraw/zinc/36/00/22/800360022.db2.gz ITHOSVIQQKUWBI-LLVKDONJSA-N -1 1 342.189 2.132 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2ccc(C)cc2C)c1[O-] ZINC001085550540 800760789 /nfs/dbraw/zinc/76/07/89/800760789.db2.gz XJLRRHKKBGTVSV-INIZCTEOSA-N -1 1 342.443 2.387 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cccc(Cl)n2)C1 ZINC001033025095 800901999 /nfs/dbraw/zinc/90/19/99/800901999.db2.gz JHJPVRQICNOJKX-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM CN(C(=O)C1(C)CC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001004118433 800995706 /nfs/dbraw/zinc/99/57/06/800995706.db2.gz XKWDNBHDGBAHMW-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@@H](CCCCNc1cnc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001090079861 801244744 /nfs/dbraw/zinc/24/47/44/801244744.db2.gz OJCNLMNWSALWEY-NSHDSACASA-N -1 1 333.367 2.117 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]1C1OCCO1 ZINC000888445917 801318988 /nfs/dbraw/zinc/31/89/88/801318988.db2.gz NFDZQMRYRZNLSY-OAHLLOKOSA-N -1 1 329.352 2.229 20 0 EEADMM CSc1nc(NC(=O)[C@H]2CCc3ccccc3[C@@H]2O)cc(=O)[n-]1 ZINC001183383884 801596187 /nfs/dbraw/zinc/59/61/87/801596187.db2.gz NLCGNFURAQSOGU-FZMZJTMJSA-N -1 1 331.397 2.139 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001183563450 801646668 /nfs/dbraw/zinc/64/66/68/801646668.db2.gz URGNIKGXGVZCEH-UHFFFAOYSA-N -1 1 327.319 2.181 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3c(C)nccc3C(F)(F)F)c1-2 ZINC001185024511 802290414 /nfs/dbraw/zinc/29/04/14/802290414.db2.gz BSINYTZPFUONJE-UHFFFAOYSA-N -1 1 336.277 2.009 20 0 EEADMM CN(C)c1cccnc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185098068 802331275 /nfs/dbraw/zinc/33/12/75/802331275.db2.gz CZZRNZRRWAEOLM-UHFFFAOYSA-N -1 1 327.356 2.368 20 0 EEADMM CC(C)(O)CO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000788219579 807439803 /nfs/dbraw/zinc/43/98/03/807439803.db2.gz AJSZVKGCYTUQCR-CQSZACIVSA-N -1 1 342.395 2.011 20 0 EEADMM CCCc1nsc(N[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983680 807763384 /nfs/dbraw/zinc/76/33/84/807763384.db2.gz OXFAXVWRUHSRFX-VHSXEESVSA-N -1 1 335.433 2.210 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC[C@@H](Oc2ccncc2)C1 ZINC000790154863 808454828 /nfs/dbraw/zinc/45/48/28/808454828.db2.gz MPSQWIVCWJDZAB-CQSZACIVSA-N -1 1 342.399 2.303 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(-c3ccccn3)nc3c2CCC3)[n-]1 ZINC001170226891 809844738 /nfs/dbraw/zinc/84/47/38/809844738.db2.gz BBJBIFADQOUITL-UHFFFAOYSA-N -1 1 346.354 2.143 20 0 EEADMM Cc1nc(-c2cccnc2)nc(Nc2[n-]c(=O)nc3nc[nH]c32)c1C ZINC001170227435 809845878 /nfs/dbraw/zinc/84/58/78/809845878.db2.gz MRQJYTADGMFAGP-UHFFFAOYSA-N -1 1 334.343 2.271 20 0 EEADMM CCOC(=O)c1c(F)cc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1F ZINC001170229280 809846969 /nfs/dbraw/zinc/84/69/69/809846969.db2.gz QDDFTJOSRCUYRD-UHFFFAOYSA-N -1 1 335.270 2.257 20 0 EEADMM O=C(NCC1(Nc2ncnc3ccccc32)CC1)c1ncccc1[O-] ZINC001110098043 809884366 /nfs/dbraw/zinc/88/43/66/809884366.db2.gz OUMWGFXHTBFYIW-UHFFFAOYSA-N -1 1 335.367 2.105 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])Nc1ncc(F)cn1 ZINC001114089621 810322328 /nfs/dbraw/zinc/32/23/28/810322328.db2.gz MZIYWHZNFRCAEZ-CYBMUJFWSA-N -1 1 347.394 2.315 20 0 EEADMM CCc1ccc2occ(C(=O)Nc3nc4nc(C)cc(=O)n4[n-]3)c2c1 ZINC001129408709 810826404 /nfs/dbraw/zinc/82/64/04/810826404.db2.gz GSSHWAIILPALAA-UHFFFAOYSA-N -1 1 337.339 2.287 20 0 EEADMM C[C@@H]1CCCN1CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805072006 811132772 /nfs/dbraw/zinc/13/27/72/811132772.db2.gz AXBSHFDJWCJQSD-SECBINFHSA-N -1 1 338.807 2.381 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000805606669 811371710 /nfs/dbraw/zinc/37/17/10/811371710.db2.gz KAVCJKOXICZBAL-SNVBAGLBSA-N -1 1 344.371 2.218 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)ccnc1-2 ZINC000806481914 811892152 /nfs/dbraw/zinc/89/21/52/811892152.db2.gz KSACHBACXRPHHT-YMTOWFKASA-N -1 1 343.337 2.298 20 0 EEADMM C[C@H](C(=O)C(C)(C)C)n1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001573586323 947286365 /nfs/dbraw/zinc/28/63/65/947286365.db2.gz OAOLPUZEWRATGG-SNVBAGLBSA-N -1 1 325.376 2.301 20 0 EEADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC001573602886 947474492 /nfs/dbraw/zinc/47/44/92/947474492.db2.gz AYNITKIUYCJVKI-VIFPVBQESA-N -1 1 344.325 2.306 20 0 EEADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC001573602886 947474500 /nfs/dbraw/zinc/47/45/00/947474500.db2.gz AYNITKIUYCJVKI-VIFPVBQESA-N -1 1 344.325 2.306 20 0 EEADMM COc1c(Cl)cccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826166948 947526400 /nfs/dbraw/zinc/52/64/00/947526400.db2.gz IWIBFHHAECZRFF-UHFFFAOYSA-N -1 1 348.750 2.006 20 0 EEADMM COc1c(Cl)cccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826166948 947526410 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ODBIMNQCKIFIGW-VIFPVBQESA-N -1 1 341.412 2.061 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736142387 578183092 /nfs/dbraw/zinc/18/30/92/578183092.db2.gz NQSXWKCKNXBJGX-OAHLLOKOSA-N -1 1 330.779 2.235 20 0 EEADMM C[C@@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736142387 578183093 /nfs/dbraw/zinc/18/30/93/578183093.db2.gz NQSXWKCKNXBJGX-OAHLLOKOSA-N -1 1 330.779 2.235 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736304353 578194546 /nfs/dbraw/zinc/19/45/46/578194546.db2.gz UXYWNYAOGMBRHH-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736304353 578194547 /nfs/dbraw/zinc/19/45/47/578194547.db2.gz UXYWNYAOGMBRHH-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)cc1 ZINC000736360230 578198894 /nfs/dbraw/zinc/19/88/94/578198894.db2.gz AIYNUEWQFDSEPO-AWEZNQCLSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)cc1 ZINC000736360230 578198895 /nfs/dbraw/zinc/19/88/95/578198895.db2.gz AIYNUEWQFDSEPO-AWEZNQCLSA-N -1 1 338.371 2.151 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736468369 578205979 /nfs/dbraw/zinc/20/59/79/578205979.db2.gz ANOMRUCOQCHJJU-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM C[C@@H](CN(C(=O)[C@H](C)N1CCc2ccccc2C1)C1CC1)C(=O)[O-] ZINC000736561767 578211376 /nfs/dbraw/zinc/21/13/76/578211376.db2.gz MTKUCUGMXQKGHT-KBPBESRZSA-N -1 1 330.428 2.145 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCOC[C@@H]1CCCO1 ZINC000736824680 578225846 /nfs/dbraw/zinc/22/58/46/578225846.db2.gz PJETUZLFGJGWGZ-QAPCUYQASA-N -1 1 348.443 2.091 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737326075 578250545 /nfs/dbraw/zinc/25/05/45/578250545.db2.gz KWGQRGXSASHNGH-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000737530878 578262313 /nfs/dbraw/zinc/26/23/13/578262313.db2.gz YJJUTAVHAPDGMB-LSDHHAIUSA-N -1 1 345.443 2.268 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1nccnc1-c1nn[n-]n1 ZINC000737592196 578265952 /nfs/dbraw/zinc/26/59/52/578265952.db2.gz LKGNBAYLENKLHX-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccs1 ZINC000818374851 597040983 /nfs/dbraw/zinc/04/09/83/597040983.db2.gz SMNAFHUSJJUJPK-OLZOCXBDSA-N -1 1 339.461 2.247 20 0 EEADMM C[C@H](O)CC(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820475145 599584980 /nfs/dbraw/zinc/58/49/80/599584980.db2.gz YPGQHDQGRBJNHI-JTQLQIEISA-N -1 1 327.392 2.019 20 0 EEADMM C[C@H](O)CC(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820475145 599584983 /nfs/dbraw/zinc/58/49/83/599584983.db2.gz YPGQHDQGRBJNHI-JTQLQIEISA-N -1 1 327.392 2.019 20 0 EEADMM COc1cccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821859962 599627362 /nfs/dbraw/zinc/62/73/62/599627362.db2.gz VAPRRLQZMQMSOX-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM COc1cccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821859962 599627363 /nfs/dbraw/zinc/62/73/63/599627363.db2.gz VAPRRLQZMQMSOX-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000405425112 600263197 /nfs/dbraw/zinc/26/31/97/600263197.db2.gz GXOTYNVBSLJHRA-AWEZNQCLSA-N -1 1 334.416 2.448 20 0 EEADMM Cc1oc(NC(=O)CN(C)c2ccc(C)cc2)c(-c2nn[n-]n2)c1C ZINC000822241398 607446530 /nfs/dbraw/zinc/44/65/30/607446530.db2.gz UXURBNRNRBLPGU-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM C[C@](NCC(=O)Nc1ccc(N2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000827727215 601030849 /nfs/dbraw/zinc/03/08/49/601030849.db2.gz HDFGXHUNSSTOLD-LJQANCHMSA-N -1 1 345.443 2.458 20 0 EEADMM CCSCC[C@@H](C)N(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000830163679 601052911 /nfs/dbraw/zinc/05/29/11/601052911.db2.gz CLPHGEJHLUITHP-CYBMUJFWSA-N -1 1 330.494 2.354 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C)C(=O)[O-] ZINC000828716998 601328892 /nfs/dbraw/zinc/32/88/92/601328892.db2.gz IFIVDROHJMDFLG-KPEUIFRASA-N -1 1 332.444 2.480 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc3c(c2)CCC3)CC1 ZINC000827385953 601337796 /nfs/dbraw/zinc/33/77/96/601337796.db2.gz PLMMENLIDWBPGI-CYBMUJFWSA-N -1 1 347.484 2.353 20 0 EEADMM Cc1nc(NC(=O)c2nnc3ccccc3c2O)sc1C(=O)[O-] ZINC000833002051 601435477 /nfs/dbraw/zinc/43/54/77/601435477.db2.gz KEWKKHPCKWCLCF-UHFFFAOYSA-N -1 1 330.325 2.051 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000833347341 601604170 /nfs/dbraw/zinc/60/41/70/601604170.db2.gz ZDEUEHVSMPLWNP-UHFFFAOYSA-N -1 1 336.753 2.435 20 0 EEADMM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000825989862 601630842 /nfs/dbraw/zinc/63/08/42/601630842.db2.gz HRMSSPHVWZICBH-RDTXWAMCSA-N -1 1 344.455 2.309 20 0 EEADMM Cc1cc(C(=O)N2CCN(CC(C)C)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861407 601674865 /nfs/dbraw/zinc/67/48/65/601674865.db2.gz GTCDHTJUBXHSKD-UHFFFAOYSA-N -1 1 348.443 2.181 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828325500 601757068 /nfs/dbraw/zinc/75/70/68/601757068.db2.gz GWDUUIRNBADPHE-HYVNUMGLSA-N -1 1 330.428 2.220 20 0 EEADMM C[C@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000828462488 601820315 /nfs/dbraw/zinc/82/03/15/601820315.db2.gz KCBPYFBRXIHLRT-WCQYABFASA-N -1 1 338.477 2.300 20 0 EEADMM Cc1nn(C)c(Cl)c1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826334131 607534769 /nfs/dbraw/zinc/53/47/69/607534769.db2.gz IZBGMJNTKVUGHV-UHFFFAOYSA-N -1 1 335.824 2.390 20 0 EEADMM Cc1nn(C)c(Cl)c1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826334131 607534771 /nfs/dbraw/zinc/53/47/71/607534771.db2.gz IZBGMJNTKVUGHV-UHFFFAOYSA-N -1 1 335.824 2.390 20 0 EEADMM COc1ccccc1[C@H](CNC(=O)[C@H](C)CC(=O)[O-])N1CCCCC1 ZINC000832595959 602110073 /nfs/dbraw/zinc/11/00/73/602110073.db2.gz NILMXNGBDQKUKZ-ZBFHGGJFSA-N -1 1 348.443 2.449 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000833172612 604682981 /nfs/dbraw/zinc/68/29/81/604682981.db2.gz KKCPHFUVQJWQPO-AWEZNQCLSA-N -1 1 325.792 2.347 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCOC2(CCOCC2)C1 ZINC000833172612 604682987 /nfs/dbraw/zinc/68/29/87/604682987.db2.gz KKCPHFUVQJWQPO-AWEZNQCLSA-N -1 1 325.792 2.347 20 0 EEADMM COc1ccc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000832393934 604740234 /nfs/dbraw/zinc/74/02/34/604740234.db2.gz KWSMGPHRUZTLNV-JTQLQIEISA-N -1 1 340.807 2.472 20 0 EEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000833503611 604790201 /nfs/dbraw/zinc/79/02/01/604790201.db2.gz FEXSUZFXBJVCFH-OAHLLOKOSA-N -1 1 337.420 2.408 20 0 EEADMM CCN(CC)C(=O)CCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833653894 604869835 /nfs/dbraw/zinc/86/98/35/604869835.db2.gz OLYPFTYFDMUNNF-UHFFFAOYSA-N -1 1 346.387 2.238 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC1CCCCC1 ZINC000833622823 605045654 /nfs/dbraw/zinc/04/56/54/605045654.db2.gz GSGAFEMCPYISMH-CQSZACIVSA-N -1 1 325.453 2.147 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)C1CCCC1 ZINC000833625741 605056292 /nfs/dbraw/zinc/05/62/92/605056292.db2.gz OTEAFBDGQSKACH-AWEZNQCLSA-N -1 1 339.480 2.393 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000833618295 605114188 /nfs/dbraw/zinc/11/41/88/605114188.db2.gz AFEOXAILPRCVMT-LLPBQKLSSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC000833513983 605114473 /nfs/dbraw/zinc/11/44/73/605114473.db2.gz MFJWTVGXQPJVFN-UONOGXRCSA-N -1 1 336.407 2.327 20 0 EEADMM O=C([O-])C1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCOCC1 ZINC000833766360 605137263 /nfs/dbraw/zinc/13/72/63/605137263.db2.gz SMCSKFMESLINGZ-UHFFFAOYSA-N -1 1 348.182 2.310 20 0 EEADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833466348 605159321 /nfs/dbraw/zinc/15/93/21/605159321.db2.gz XIDMYNZDQMFCQX-QAPCUYQASA-N -1 1 332.444 2.434 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c2ccccc2n1 ZINC000833742150 605163651 /nfs/dbraw/zinc/16/36/51/605163651.db2.gz GFTJGAMLGMMTRF-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@@H](C)[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000833715140 605213266 /nfs/dbraw/zinc/21/32/66/605213266.db2.gz PCLXQRCNXGHROF-VXGBXAGGSA-N -1 1 348.399 2.088 20 0 EEADMM C/C(=C/c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833382820 605470168 /nfs/dbraw/zinc/47/01/68/605470168.db2.gz HAWYLMASPAKVAA-RTYFKUQISA-N -1 1 330.428 2.406 20 0 EEADMM Cc1ccccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822366514 606139786 /nfs/dbraw/zinc/13/97/86/606139786.db2.gz LCKWTWQMTQTYQK-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cc1ccccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822366514 606139788 /nfs/dbraw/zinc/13/97/88/606139788.db2.gz LCKWTWQMTQTYQK-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C2CCCCC2)n1 ZINC000822609581 606168841 /nfs/dbraw/zinc/16/88/41/606168841.db2.gz QQMVQIONWXDZJJ-CYBMUJFWSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C2CCCCC2)n1 ZINC000822609581 606168842 /nfs/dbraw/zinc/16/88/42/606168842.db2.gz QQMVQIONWXDZJJ-CYBMUJFWSA-N -1 1 344.423 2.177 20 0 EEADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820706377 606195430 /nfs/dbraw/zinc/19/54/30/606195430.db2.gz ZHUGPQVQKJERMG-IINYFYTJSA-N -1 1 331.376 2.106 20 0 EEADMM C[S@@](=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821943173 606431165 /nfs/dbraw/zinc/43/11/65/606431165.db2.gz TYUYFSSDERFPAV-HSZRJFAPSA-N -1 1 348.819 2.265 20 0 EEADMM C[S@@](=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821943173 606431167 /nfs/dbraw/zinc/43/11/67/606431167.db2.gz TYUYFSSDERFPAV-HSZRJFAPSA-N -1 1 348.819 2.265 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cccc(-c3nnn[n-]3)n2)C12CCCC2 ZINC000821362064 606468770 /nfs/dbraw/zinc/46/87/70/606468770.db2.gz XYNLCOWBFHAVLS-UONOGXRCSA-N -1 1 328.420 2.436 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cccc(-c3nn[n-]n3)n2)C12CCCC2 ZINC000821362064 606468772 /nfs/dbraw/zinc/46/87/72/606468772.db2.gz XYNLCOWBFHAVLS-UONOGXRCSA-N -1 1 328.420 2.436 20 0 EEADMM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821342316 606487584 /nfs/dbraw/zinc/48/75/84/606487584.db2.gz AYIKZVVKPFFYGO-UHFFFAOYSA-N -1 1 343.368 2.357 20 0 EEADMM CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821342316 606487585 /nfs/dbraw/zinc/48/75/85/606487585.db2.gz AYIKZVVKPFFYGO-UHFFFAOYSA-N -1 1 343.368 2.357 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882423 606492364 /nfs/dbraw/zinc/49/23/64/606492364.db2.gz ACXAYSDMNVZGKV-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882423 606492365 /nfs/dbraw/zinc/49/23/65/606492365.db2.gz ACXAYSDMNVZGKV-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821669891 606501762 /nfs/dbraw/zinc/50/17/62/606501762.db2.gz CTLCIZKTIXRJPS-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821669891 606501763 /nfs/dbraw/zinc/50/17/63/606501763.db2.gz CTLCIZKTIXRJPS-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccccc1 ZINC000820270052 606560959 /nfs/dbraw/zinc/56/09/59/606560959.db2.gz UAFQDFDGDJURDZ-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccccc1 ZINC000820270052 606560960 /nfs/dbraw/zinc/56/09/60/606560960.db2.gz UAFQDFDGDJURDZ-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820379799 606596902 /nfs/dbraw/zinc/59/69/02/606596902.db2.gz HKVKRSGVAHGQFW-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820379799 606596903 /nfs/dbraw/zinc/59/69/03/606596903.db2.gz HKVKRSGVAHGQFW-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819875922 606603453 /nfs/dbraw/zinc/60/34/53/606603453.db2.gz CGPWUXNVCGOPRS-LLVKDONJSA-N -1 1 347.382 2.496 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819875922 606603454 /nfs/dbraw/zinc/60/34/54/606603454.db2.gz CGPWUXNVCGOPRS-LLVKDONJSA-N -1 1 347.382 2.496 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000819928865 606723993 /nfs/dbraw/zinc/72/39/93/606723993.db2.gz YXMAJELYENLYJT-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000819928865 606723994 /nfs/dbraw/zinc/72/39/94/606723994.db2.gz YXMAJELYENLYJT-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822258859 607024091 /nfs/dbraw/zinc/02/40/91/607024091.db2.gz FQWWENFWVTWDKD-VIFPVBQESA-N -1 1 330.373 2.038 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822258859 607024093 /nfs/dbraw/zinc/02/40/93/607024093.db2.gz FQWWENFWVTWDKD-VIFPVBQESA-N -1 1 330.373 2.038 20 0 EEADMM O=C(CCCOCc1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822959355 607106793 /nfs/dbraw/zinc/10/67/93/607106793.db2.gz ZNLCIPKZFRDJCO-UHFFFAOYSA-N -1 1 344.400 2.259 20 0 EEADMM O=C(CCCOCc1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822959355 607106794 /nfs/dbraw/zinc/10/67/94/607106794.db2.gz ZNLCIPKZFRDJCO-UHFFFAOYSA-N -1 1 344.400 2.259 20 0 EEADMM CCCCC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821048690 607194579 /nfs/dbraw/zinc/19/45/79/607194579.db2.gz FZAULHJKUCYNME-LLVKDONJSA-N -1 1 332.412 2.177 20 0 EEADMM CCCCC[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821048690 607194580 /nfs/dbraw/zinc/19/45/80/607194580.db2.gz FZAULHJKUCYNME-LLVKDONJSA-N -1 1 332.412 2.177 20 0 EEADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826456176 607825889 /nfs/dbraw/zinc/82/58/89/607825889.db2.gz SUDPKYJKHJAEJZ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826456176 607825890 /nfs/dbraw/zinc/82/58/90/607825890.db2.gz SUDPKYJKHJAEJZ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM Cc1nc2[nH]c(-c3ccc(-c4nnn[n-]4)o3)nc2cc1Br ZINC000826328909 607976254 /nfs/dbraw/zinc/97/62/54/607976254.db2.gz JAHMVJGYMQDMJJ-UHFFFAOYSA-N -1 1 346.148 2.469 20 0 EEADMM Cc1nc2[nH]c(-c3ccc(-c4nn[n-]n4)o3)nc2cc1Br ZINC000826328909 607976255 /nfs/dbraw/zinc/97/62/55/607976255.db2.gz JAHMVJGYMQDMJJ-UHFFFAOYSA-N -1 1 346.148 2.469 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ncc(C3CC3)o2)n1 ZINC000826324572 608023117 /nfs/dbraw/zinc/02/31/17/608023117.db2.gz WXANGIGVUWGIMN-UHFFFAOYSA-N -1 1 329.389 2.431 20 0 EEADMM CCCc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000825353248 608190489 /nfs/dbraw/zinc/19/04/89/608190489.db2.gz TZJMGNWQIFXSRK-UHFFFAOYSA-N -1 1 329.798 2.463 20 0 EEADMM CCCc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000825353248 608190490 /nfs/dbraw/zinc/19/04/90/608190490.db2.gz TZJMGNWQIFXSRK-UHFFFAOYSA-N -1 1 329.798 2.463 20 0 EEADMM Brc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823832451 608405831 /nfs/dbraw/zinc/40/58/31/608405831.db2.gz OVRAYJLJEGDEAQ-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823832451 608405830 /nfs/dbraw/zinc/40/58/30/608405830.db2.gz OVRAYJLJEGDEAQ-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824897866 608424180 /nfs/dbraw/zinc/42/41/80/608424180.db2.gz CAPSWJDCJQQAJE-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824897866 608424182 /nfs/dbraw/zinc/42/41/82/608424182.db2.gz CAPSWJDCJQQAJE-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367329 608430083 /nfs/dbraw/zinc/43/00/83/608430083.db2.gz UXLUFIXTFOWWET-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367329 608430086 /nfs/dbraw/zinc/43/00/86/608430086.db2.gz UXLUFIXTFOWWET-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000826280441 608542516 /nfs/dbraw/zinc/54/25/16/608542516.db2.gz BSRZGUCQJVFJHJ-ZDUSSCGKSA-N -1 1 330.779 2.369 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCC[C@H](O)C1)c1cc(Cl)cnc1Cl ZINC000866862123 677924893 /nfs/dbraw/zinc/92/48/93/677924893.db2.gz CFLZBZYSVKLWEG-WPRPVWTQSA-N -1 1 339.244 2.218 20 0 EEADMM COCc1nc(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc(=O)[n-]1 ZINC000891870962 676876289 /nfs/dbraw/zinc/87/62/89/676876289.db2.gz GYNPWTCQDNKVTO-JTQLQIEISA-N -1 1 328.372 2.386 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1)C(C)(C)C ZINC000971902059 677794952 /nfs/dbraw/zinc/79/49/52/677794952.db2.gz GCEPKYFCFVZZDU-MGPQQGTHSA-N -1 1 345.443 2.142 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])N(C)C)c1 ZINC000327003778 678619274 /nfs/dbraw/zinc/61/92/74/678619274.db2.gz KUQUWZFSUNJRQB-IKGGRYGDSA-N -1 1 348.443 2.305 20 0 EEADMM O=C(NC[C@H]1CCCN(CC(F)(F)C(F)F)C1)c1ncccc1[O-] ZINC001023328138 679255273 /nfs/dbraw/zinc/25/52/73/679255273.db2.gz KRXONPDHJDWBDU-SNVBAGLBSA-N -1 1 349.328 2.129 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000937362141 681343880 /nfs/dbraw/zinc/34/38/80/681343880.db2.gz IUTYLIBWPCFBQM-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])[C@H]1CC=CCC1 ZINC000937362606 681346262 /nfs/dbraw/zinc/34/62/62/681346262.db2.gz LIRLCRVYTSEAGU-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM COCc1nc(N2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000894249604 681563758 /nfs/dbraw/zinc/56/37/58/681563758.db2.gz RFFCUQQKHNETJV-RYUDHWBXSA-N -1 1 337.420 2.133 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1cccs1)c1ncccc1[O-] ZINC000937193651 681595845 /nfs/dbraw/zinc/59/58/45/681595845.db2.gz PPPXUBBAGOBCNF-LBPRGKRZSA-N -1 1 345.424 2.273 20 0 EEADMM Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC001024937801 681613922 /nfs/dbraw/zinc/61/39/22/681613922.db2.gz AKWZWRCCIXWOAS-UONOGXRCSA-N -1 1 344.415 2.429 20 0 EEADMM C[C@H]1[C@@H](C(=O)[N-]OCc2ccccn2)CCN1C(=O)OC(C)(C)C ZINC000909542711 685461412 /nfs/dbraw/zinc/46/14/12/685461412.db2.gz XOGZIGQKXYDOAB-JSGCOSHPSA-N -1 1 335.404 2.275 20 0 EEADMM CC1=C(C)C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000973200026 682297454 /nfs/dbraw/zinc/29/74/54/682297454.db2.gz WIBHJLXYBIGODU-KKUMJFAQSA-N -1 1 343.427 2.301 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC000983439682 682665007 /nfs/dbraw/zinc/66/50/07/682665007.db2.gz WWRKAPWGJAUWHI-HUUCEWRRSA-N -1 1 339.395 2.258 20 0 EEADMM O=C(N[C@H]1C[C@H](Nc2nc(C3CCC3)ns2)C1)c1ncccc1[O-] ZINC001059200809 683198378 /nfs/dbraw/zinc/19/83/78/683198378.db2.gz CJLIDOWXKDYTHX-XYPYZODXSA-N -1 1 345.428 2.279 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000909412151 683205339 /nfs/dbraw/zinc/20/53/39/683205339.db2.gz HRYXEPVNECVEDW-CQSZACIVSA-N -1 1 340.489 2.061 20 0 EEADMM CC[C@H](Cc1ccccc1Br)C(=O)N(C)c1nn[n-]n1 ZINC000892954070 683321374 /nfs/dbraw/zinc/32/13/74/683321374.db2.gz BQVUCZQHDGVIBF-SECBINFHSA-N -1 1 338.209 2.194 20 0 EEADMM O=C(N[C@@H]1C[C@@H](NC(=O)C2CCCC2)C12CCC2)c1ncccc1[O-] ZINC001025854207 683365466 /nfs/dbraw/zinc/36/54/66/683365466.db2.gz NUFAVMVKBCKCQK-HUUCEWRRSA-N -1 1 343.427 2.135 20 0 EEADMM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000894967386 683437025 /nfs/dbraw/zinc/43/70/25/683437025.db2.gz ONPZATGFJUVDKE-YPMHNXCESA-N -1 1 341.791 2.276 20 0 EEADMM Cc1cc(N2CC(C[N-]C(=O)C(F)(F)F)C2)nc(C2CCC2)n1 ZINC000895041996 683490844 /nfs/dbraw/zinc/49/08/44/683490844.db2.gz QBFKRRRBVDIQNL-UHFFFAOYSA-N -1 1 328.338 2.167 20 0 EEADMM COCc1nc(N2CCC(O)(Cc3cccc(F)c3)CC2)cc(=O)[n-]1 ZINC000893238417 684205084 /nfs/dbraw/zinc/20/50/84/684205084.db2.gz TWITVHUJIGQCON-UHFFFAOYSA-N -1 1 347.390 2.042 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccc(Cl)c1 ZINC000974058507 684271769 /nfs/dbraw/zinc/27/17/69/684271769.db2.gz USDMPEGVDGFOFQ-BETUJISGSA-N -1 1 345.786 2.131 20 0 EEADMM COCC(C)(C)c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000896575903 685084374 /nfs/dbraw/zinc/08/43/74/685084374.db2.gz CXXNHUOPKPNAGQ-SECBINFHSA-N -1 1 345.446 2.095 20 0 EEADMM CCCCC[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)C(=O)[O-] ZINC000909346069 686153813 /nfs/dbraw/zinc/15/38/13/686153813.db2.gz HFLHJHGWPTYJFT-GPANFISMSA-N -1 1 340.464 2.027 20 0 EEADMM C[C@H](C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC001059516190 686285871 /nfs/dbraw/zinc/28/58/71/686285871.db2.gz HJDGCKBUKKUTCN-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC001059518269 686292335 /nfs/dbraw/zinc/29/23/35/686292335.db2.gz JRTRQWNTWFBRCP-IFXJQAMLSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)cn1 ZINC000909595936 686514495 /nfs/dbraw/zinc/51/44/95/686514495.db2.gz BAJMSUVMQADHTR-OAHLLOKOSA-N -1 1 348.447 2.438 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCc3c2cccc3Cl)C1 ZINC000909401669 694040422 /nfs/dbraw/zinc/04/04/22/694040422.db2.gz RZFZWSFUVIGZDS-NHYWBVRUSA-N -1 1 336.819 2.240 20 0 EEADMM CCO[C@@H]1C[C@](NC(=O)c2ccc(O)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599103 686951694 /nfs/dbraw/zinc/95/16/94/686951694.db2.gz BYEIIWVXQGBBIQ-WBMJQRKESA-N -1 1 341.791 2.434 20 0 EEADMM CC[N@@H+](CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)C1CC1 ZINC000909639241 687283105 /nfs/dbraw/zinc/28/31/05/687283105.db2.gz DRLUCHXDBNXJHO-UHFFFAOYSA-N -1 1 342.399 2.302 20 0 EEADMM CCN(CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)C1CC1 ZINC000909639241 687283111 /nfs/dbraw/zinc/28/31/11/687283111.db2.gz DRLUCHXDBNXJHO-UHFFFAOYSA-N -1 1 342.399 2.302 20 0 EEADMM CC/C(C)=C\C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059598303 687306461 /nfs/dbraw/zinc/30/64/61/687306461.db2.gz ASSUKNIYNYEDFO-YBEMTRGBSA-N -1 1 331.416 2.112 20 0 EEADMM Cc1cccc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)c1Cl ZINC000990972119 694135729 /nfs/dbraw/zinc/13/57/29/694135729.db2.gz LKDOLUQCXMUPKI-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(F)c2)co1 ZINC000163336213 688146460 /nfs/dbraw/zinc/14/64/60/688146460.db2.gz XLURMGNFGIDMGY-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)c2ccco2)CC1 ZINC000986741774 688875563 /nfs/dbraw/zinc/87/55/63/688875563.db2.gz RVFXNKJFDMXBBX-GFCCVEGCSA-N -1 1 343.383 2.051 20 0 EEADMM CC(C)(F)C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986831550 688987192 /nfs/dbraw/zinc/98/71/92/688987192.db2.gz QBSFNLJRHWDLIA-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM O=C(N[C@H]1CCCCCN(C(=O)c2ccoc2)C1)c1ncccc1[O-] ZINC000986896524 689065057 /nfs/dbraw/zinc/06/50/57/689065057.db2.gz XTNPJZCKUDORBP-AWEZNQCLSA-N -1 1 343.383 2.195 20 0 EEADMM CC[C@@H](C)Oc1cc(C)ccc1C[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866949398 689486074 /nfs/dbraw/zinc/48/60/74/689486074.db2.gz RHXYIJTWQSNQBY-GFCCVEGCSA-N -1 1 348.490 2.234 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)s1 ZINC000987238548 689525395 /nfs/dbraw/zinc/52/53/95/689525395.db2.gz OFDOPMYSXULYHK-NEPJUHHUSA-N -1 1 345.424 2.190 20 0 EEADMM CC(C)c1cccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)c1 ZINC000987316721 689598230 /nfs/dbraw/zinc/59/82/30/689598230.db2.gz JOLGTWRGTVIJPQ-WFASDCNBSA-N -1 1 343.431 2.027 20 0 EEADMM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)cs1 ZINC000987684133 689928840 /nfs/dbraw/zinc/92/88/40/689928840.db2.gz LKRGWXFTECWTCZ-YPMHNXCESA-N -1 1 345.424 2.190 20 0 EEADMM CN(CC1CCN(C(=O)[C@H]2CC2(C)C)CC1)C(=O)c1ncccc1[O-] ZINC000988511765 690773025 /nfs/dbraw/zinc/77/30/25/690773025.db2.gz YIWREVGJHYWUET-CQSZACIVSA-N -1 1 345.443 2.144 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)CC1CCCCC1)C(=O)c1ncccc1[O-] ZINC000977607043 692816694 /nfs/dbraw/zinc/81/66/94/692816694.db2.gz DSMDSALNGBITLN-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)C[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC000977618871 692851736 /nfs/dbraw/zinc/85/17/36/692851736.db2.gz PJWDWCAHMMXLOO-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H](CC(=O)NCc1nc([O-])cc(=O)[nH]1)Cc1ccc(Cl)cc1 ZINC000898757595 693442542 /nfs/dbraw/zinc/44/25/42/693442542.db2.gz RLKUZCLVGXDJBW-SNVBAGLBSA-N -1 1 335.791 2.426 20 0 EEADMM CC1CCN(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000909391266 693631591 /nfs/dbraw/zinc/63/15/91/693631591.db2.gz SISHUBOXOCUDJW-HNNXBMFYSA-N -1 1 342.798 2.453 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943204794 1192114543 /nfs/dbraw/zinc/11/45/43/1192114543.db2.gz XGHYOWFGQMCMFC-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1)=C1CCC1 ZINC000943684316 1192473585 /nfs/dbraw/zinc/47/35/85/1192473585.db2.gz BQBWXCPVLDJFDC-SHTZXODSSA-N -1 1 343.427 2.445 20 0 EEADMM CC[C@]1(C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000943684481 1192474101 /nfs/dbraw/zinc/47/41/01/1192474101.db2.gz OHVSHINQLSVASI-QGDIXAPHSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)s1 ZINC000943708758 1192497264 /nfs/dbraw/zinc/49/72/64/1192497264.db2.gz DJWWGGSETFSWSD-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCNC3=O)c2)n1 ZINC000066504348 1176747453 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EEADMM COCC1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000932041592 1207520906 /nfs/dbraw/zinc/52/09/06/1207520906.db2.gz CERNJCUWVGWWPN-UHFFFAOYSA-N -1 1 330.388 2.468 20 0 EEADMM C[C@H](O)CC(C)(C)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932042898 1207521009 /nfs/dbraw/zinc/52/10/09/1207521009.db2.gz ITDLBYAKXOYDAI-LBPRGKRZSA-N -1 1 332.404 2.497 20 0 EEADMM C[C@H](Sc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000935037119 1208083226 /nfs/dbraw/zinc/08/32/26/1208083226.db2.gz OELMFHKNRIRJFA-QWRGUYRKSA-N -1 1 335.408 2.226 20 0 EEADMM CCCCNC(=O)N[N-]C(=O)c1ccc(Br)cc1F ZINC000049143780 1208521039 /nfs/dbraw/zinc/52/10/39/1208521039.db2.gz KTEIACRBJHGBKJ-UHFFFAOYSA-N -1 1 332.173 2.332 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccoc2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000948297662 1209022795 /nfs/dbraw/zinc/02/27/95/1209022795.db2.gz KOCPUCIADLTKKK-OCCSQVGLSA-N -1 1 343.383 2.051 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1=CCCC1 ZINC000948390543 1209109126 /nfs/dbraw/zinc/10/91/26/1209109126.db2.gz UCFFTBNJOBQVRR-ZFWWWQNUSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000949793533 1209845814 /nfs/dbraw/zinc/84/58/14/1209845814.db2.gz YNYGSNBWSOJRFE-LBPRGKRZSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000950539614 1210266801 /nfs/dbraw/zinc/26/68/01/1210266801.db2.gz UBZGZQGZJUQOHX-ZDUSSCGKSA-N -1 1 343.383 2.032 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1occc1Cl ZINC000950542767 1210267502 /nfs/dbraw/zinc/26/75/02/1210267502.db2.gz JCNIZXRPMJKQAX-SNVBAGLBSA-N -1 1 349.774 2.068 20 0 EEADMM CCC(Nc1cc(C)ccn1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192695406 1210584279 /nfs/dbraw/zinc/58/42/79/1210584279.db2.gz MTOIAHALLCRGPP-WYMLVPIESA-N -1 1 346.456 2.365 20 0 EEADMM CC1(C)CC(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC001015419251 1225229979 /nfs/dbraw/zinc/22/99/79/1225229979.db2.gz FLBXLJZSBNYLNR-OCCSQVGLSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(SCC(=O)NNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000080000871 1210770124 /nfs/dbraw/zinc/77/01/24/1210770124.db2.gz BHBNOBLGFBVERK-UHFFFAOYSA-N -1 1 334.372 2.393 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000952003965 1211162509 /nfs/dbraw/zinc/16/25/09/1211162509.db2.gz IVQQVFIMMVKPMK-ZDUSSCGKSA-N -1 1 349.406 2.180 20 0 EEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1c(F)cccc1Cl ZINC000081448656 1211209988 /nfs/dbraw/zinc/20/99/88/1211209988.db2.gz FOGOYODCMCKWJH-RCOVLWMOSA-N -1 1 329.784 2.003 20 0 EEADMM CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000952421005 1211413694 /nfs/dbraw/zinc/41/36/94/1211413694.db2.gz CQPIHTNKXMTXOG-AGUYFDCRSA-N -1 1 345.443 2.475 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000953154999 1211684252 /nfs/dbraw/zinc/68/42/52/1211684252.db2.gz ZAQBMUWEAMBKTI-KUHUBIRLSA-N -1 1 345.443 2.144 20 0 EEADMM CC1(CC(=O)N2CC[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@H]3C2)CC1 ZINC000953387058 1211790857 /nfs/dbraw/zinc/79/08/57/1211790857.db2.gz UKDCSIVBZDHUCQ-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1c(C)nn(CC)c1C ZINC000089483067 1211998279 /nfs/dbraw/zinc/99/82/79/1211998279.db2.gz NBSPYQSGGDHQIG-UHFFFAOYSA-N -1 1 337.453 2.158 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)cn1 ZINC000795345077 1212000880 /nfs/dbraw/zinc/00/08/80/1212000880.db2.gz MDLFCUOLCKCKTK-AWEZNQCLSA-N -1 1 334.397 2.005 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001017248109 1212123012 /nfs/dbraw/zinc/12/30/12/1212123012.db2.gz DYOBFOWBPVSKTE-KKUMJFAQSA-N -1 1 349.479 2.007 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)oc1C ZINC001012504197 1225390206 /nfs/dbraw/zinc/39/02/06/1225390206.db2.gz AJUYVDUWKFZONO-DGCLKSJQSA-N -1 1 343.383 2.030 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](C)CC2)CN1C(=O)c1ncccc1[O-] ZINC001012514661 1225400171 /nfs/dbraw/zinc/40/01/71/1225400171.db2.gz ZBGQQQZFNIKVIC-KBUPBQIOSA-N -1 1 345.443 2.333 20 0 EEADMM CN(C(=O)CC1CCCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000955445126 1213077363 /nfs/dbraw/zinc/07/73/63/1213077363.db2.gz QCPKOVVGZFTHDL-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccsc1 ZINC000955527400 1213138621 /nfs/dbraw/zinc/13/86/21/1213138621.db2.gz DMJNBZGLYDHNMG-DGCLKSJQSA-N -1 1 345.424 2.272 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)C2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955648035 1213234074 /nfs/dbraw/zinc/23/40/74/1213234074.db2.gz CZJRLCGCPLHDGI-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])c(C)o1 ZINC000955979457 1213447194 /nfs/dbraw/zinc/44/71/94/1213447194.db2.gz KEPOUSAHLOIZED-ZDUSSCGKSA-N -1 1 343.383 2.032 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000956122678 1213544835 /nfs/dbraw/zinc/54/48/35/1213544835.db2.gz BKKZUDUYBYGFPK-BFHYXJOUSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])C1 ZINC000956210778 1213613662 /nfs/dbraw/zinc/61/36/62/1213613662.db2.gz SAYVTCSYXGEUDM-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956343204 1213731278 /nfs/dbraw/zinc/73/12/78/1213731278.db2.gz GHAOWQVTRUSDMN-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000956344135 1213732033 /nfs/dbraw/zinc/73/20/33/1213732033.db2.gz WPDRBEKGPIXQNL-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM S=c1nc(-c2ccccn2)[n-]n1CN1CCS[C@H]2COCC[C@H]21 ZINC000247282884 1213795309 /nfs/dbraw/zinc/79/53/09/1213795309.db2.gz SYLUNDBMXHXBEC-OLZOCXBDSA-N -1 1 349.485 2.166 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2F)[n-]1 ZINC000796359936 1213878624 /nfs/dbraw/zinc/87/86/24/1213878624.db2.gz BYRXLKKDWYGRMB-SNVBAGLBSA-N -1 1 348.330 2.433 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000959066969 1214134773 /nfs/dbraw/zinc/13/47/73/1214134773.db2.gz GJSVWOBNDVJQTE-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(CC(=O)N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000956848838 1214525376 /nfs/dbraw/zinc/52/53/76/1214525376.db2.gz GHMMWCUENOUNGM-LJQANCHMSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1sccc1C(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956849773 1214527351 /nfs/dbraw/zinc/52/73/51/1214527351.db2.gz YHUUFHBWLDUFFP-QGZVFWFLSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1ccc2c(c1)CC[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)O2 ZINC000796295266 1215737062 /nfs/dbraw/zinc/73/70/62/1215737062.db2.gz FYIRRGCDWODFJJ-CYBMUJFWSA-N -1 1 345.317 2.300 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC000962613002 1215970034 /nfs/dbraw/zinc/97/00/34/1215970034.db2.gz FZMDXAANLQQHIM-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962737382 1216036789 /nfs/dbraw/zinc/03/67/89/1216036789.db2.gz KGVASXVDRFLINP-KGLIPLIRSA-N -1 1 331.416 2.039 20 0 EEADMM CCC(CC)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962785419 1216082064 /nfs/dbraw/zinc/08/20/64/1216082064.db2.gz VDONPWBBHVITMH-CABCVRRESA-N -1 1 345.443 2.429 20 0 EEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](C)C(=O)Nc1ncccc1O ZINC001412934610 1216140444 /nfs/dbraw/zinc/14/04/44/1216140444.db2.gz MINCLKZDHFCFPV-NXEZZACHSA-N -1 1 347.346 2.025 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1ccc(F)s1 ZINC001013018353 1225665898 /nfs/dbraw/zinc/66/58/98/1225665898.db2.gz AOIAXTKAADJBLV-VHSXEESVSA-N -1 1 349.387 2.021 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963680657 1217962806 /nfs/dbraw/zinc/96/28/06/1217962806.db2.gz HHMQMJJXTNEQTO-CYBMUJFWSA-N -1 1 347.390 2.162 20 0 EEADMM C[C@H](NC(=O)C1CC1)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC000963882940 1218102753 /nfs/dbraw/zinc/10/27/53/1218102753.db2.gz FEVLRYNUIAODDY-LBPRGKRZSA-N -1 1 339.395 2.304 20 0 EEADMM C/C(=C\C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000964441513 1218365459 /nfs/dbraw/zinc/36/54/59/1218365459.db2.gz CKXOMUCXKYMRCA-HFBDAHEESA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000966371538 1219708789 /nfs/dbraw/zinc/70/87/89/1219708789.db2.gz HHDQIHCQLCCLLO-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(=O)C1CCCC1 ZINC000966563063 1219847533 /nfs/dbraw/zinc/84/75/33/1219847533.db2.gz KHKUGFMDSBJESJ-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000967523592 1220595710 /nfs/dbraw/zinc/59/57/10/1220595710.db2.gz FTVQRHSDXWEBLU-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)C1(C)CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000967571856 1220638632 /nfs/dbraw/zinc/63/86/32/1220638632.db2.gz NIYRGEVAYBAYNN-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(CC1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000968886570 1221645682 /nfs/dbraw/zinc/64/56/82/1221645682.db2.gz RGSLLKGZVXJLAQ-GASCZTMLSA-N -1 1 343.427 2.183 20 0 EEADMM O=C(N[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)c1ncccc1[O-] ZINC001007179612 1222121910 /nfs/dbraw/zinc/12/19/10/1222121910.db2.gz ZELDLCQVGFWORI-ZDUSSCGKSA-N -1 1 347.365 2.460 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001008084735 1222613349 /nfs/dbraw/zinc/61/33/49/1222613349.db2.gz QPMBZDYDJLRNGY-TZMCWYRMSA-N -1 1 333.432 2.046 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C1(F)CCCC1 ZINC001008296467 1222743543 /nfs/dbraw/zinc/74/35/43/1222743543.db2.gz NIDRAMFFJYBCBS-ZDUSSCGKSA-N -1 1 349.406 2.036 20 0 EEADMM C/C=C(\C)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2ncccc2[O-])C1 ZINC001009160314 1223159917 /nfs/dbraw/zinc/15/99/17/1223159917.db2.gz IXJZTBHQMTZWAC-WGXKJALSSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001009829572 1223401273 /nfs/dbraw/zinc/40/12/73/1223401273.db2.gz HIDRMNQIFNDOCC-KKUMJFAQSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])CN1C(=O)c1ccccc1 ZINC001009960385 1223468791 /nfs/dbraw/zinc/46/87/91/1223468791.db2.gz PKUODVWLYNDEOT-KBPBESRZSA-N -1 1 339.395 2.068 20 0 EEADMM COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ncccc3O)C2)cc1C ZINC001010735966 1223879079 /nfs/dbraw/zinc/87/90/79/1223879079.db2.gz ZYFNCXPZSTXIMA-HNNXBMFYSA-N -1 1 341.411 2.109 20 0 EEADMM CC1(CC(=O)N2CC[C@]3(NC(=O)c4ncccc4[O-])CCC[C@@H]23)CC1 ZINC001014252317 1226414465 /nfs/dbraw/zinc/41/44/65/1226414465.db2.gz GHMGNMSUYBXAKS-AUUYWEPGSA-N -1 1 343.427 2.231 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001016428207 1226468445 /nfs/dbraw/zinc/46/84/45/1226468445.db2.gz UQJUIWPTFJMXCI-JXQTWKCFSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001016430788 1226470324 /nfs/dbraw/zinc/47/03/24/1226470324.db2.gz MGNRWOOHIUQBFS-UHFFFAOYSA-N -1 1 329.400 2.007 20 0 EEADMM CC1(Nc2cccc(F)n2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001067256101 1229791973 /nfs/dbraw/zinc/79/19/73/1229791973.db2.gz GLIFTWRXPAKFKL-UHFFFAOYSA-N -1 1 330.363 2.428 20 0 EEADMM 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CCc1cc(Nc2cc(=O)[n-]c(N(C)C)n2)cc(OC)c1C(=O)OC ZINC001248623502 1310920267 /nfs/dbraw/zinc/92/02/67/1310920267.db2.gz VJTLQAUYIXOOLW-UHFFFAOYSA-N -1 1 346.387 2.349 20 0 EEADMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)COC1 ZINC001260206706 1319829260 /nfs/dbraw/zinc/82/92/60/1319829260.db2.gz YSXFVFLYFJXHRP-UHFFFAOYSA-N -1 1 325.764 2.323 20 0 EEADMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CCCOC1 ZINC001260208585 1319831950 /nfs/dbraw/zinc/83/19/50/1319831950.db2.gz RDWKQUDLGOSWPX-LBPRGKRZSA-N -1 1 325.764 2.466 20 0 EEADMM Cc1cnc(CC[N-]S(=O)(=O)c2cc(F)c(F)cc2Cl)nc1 ZINC001260277273 1319850949 /nfs/dbraw/zinc/85/09/49/1319850949.db2.gz AGFJIOPSIVLZAA-UHFFFAOYSA-N -1 1 347.774 2.238 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)c1ccncc1)c1cc(F)c(F)cc1Cl ZINC001260290906 1319858077 /nfs/dbraw/zinc/85/80/77/1319858077.db2.gz YJHSATKNPDWONP-GFCCVEGCSA-N -1 1 348.758 2.025 20 0 EEADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(CO)ccc1F ZINC001260296973 1319860987 /nfs/dbraw/zinc/86/09/87/1319860987.db2.gz 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ZINC000841534030 1315573061 /nfs/dbraw/zinc/57/30/61/1315573061.db2.gz HXHKYGOKBIYUPH-JGVFFNPUSA-N -1 1 325.217 2.234 20 0 EEADMM CCOC[C@H](NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC000841807522 1315616053 /nfs/dbraw/zinc/61/60/53/1315616053.db2.gz CGWJZKNSWIYBBT-AWEZNQCLSA-N -1 1 337.807 2.413 20 0 EEADMM COc1ccc(CN(C)C(=O)CO[N-]C(=O)CC(C)(C)C)cc1F ZINC000842063993 1315655958 /nfs/dbraw/zinc/65/59/58/1315655958.db2.gz VIEQWROSBVIVAU-UHFFFAOYSA-N -1 1 340.395 2.277 20 0 EEADMM CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc2cccnc2c1[O-] ZINC001149320907 1315945552 /nfs/dbraw/zinc/94/55/52/1315945552.db2.gz PPBMLKOVSTWZTP-AWEZNQCLSA-N -1 1 328.368 2.498 20 0 EEADMM O=C(Nc1ccccc1-c1nn[nH]n1)c1ccc2cccnc2c1[O-] ZINC001149323111 1315946436 /nfs/dbraw/zinc/94/64/36/1315946436.db2.gz UTBRSLMHIXAXEI-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM Cn1ccc2c1cccc2C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001149500133 1315978536 /nfs/dbraw/zinc/97/85/36/1315978536.db2.gz HWBUKPCMFFRGGT-MRXNPFEDSA-N -1 1 332.367 2.211 20 0 EEADMM Cc1ncccc1CNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001150730192 1316355813 /nfs/dbraw/zinc/35/58/13/1316355813.db2.gz QREQDMMOSGMHHA-UHFFFAOYSA-N -1 1 349.394 2.115 20 0 EEADMM COC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c3cccc(O)c3[n-]2)[C@@H]1C ZINC001152678863 1316707580 /nfs/dbraw/zinc/70/75/80/1316707580.db2.gz DZCDCAGRVCGXRL-GHMZBOCLSA-N -1 1 344.367 2.060 20 0 EEADMM O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1cccc2sccc21 ZINC001153447027 1316829610 /nfs/dbraw/zinc/82/96/10/1316829610.db2.gz QICZBRYJZPJWRW-UHFFFAOYSA-N -1 1 327.325 2.183 20 0 EEADMM O=S(=O)([N-]C1CC(O)C1)c1cc(Cl)c(Cl)cc1Cl ZINC001251255945 1317440826 /nfs/dbraw/zinc/44/08/26/1317440826.db2.gz ISWSPFFDKAZVPS-UHFFFAOYSA-N -1 1 330.620 2.448 20 0 EEADMM COC(=O)c1scc(-c2ccccc2)c1[N-]S(=O)(=O)N(C)C ZINC001251056091 1317410571 /nfs/dbraw/zinc/41/05/71/1317410571.db2.gz LLDBBCBQYMCDIS-UHFFFAOYSA-N -1 1 340.426 2.420 20 0 EEADMM NS(=O)(=O)c1ccc2[nH]c(-c3cc(F)c(Cl)cc3[O-])nc2c1 ZINC001251681327 1317486142 /nfs/dbraw/zinc/48/61/42/1317486142.db2.gz UBMZXCHGVOLIFX-UHFFFAOYSA-N -1 1 341.751 2.375 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nnsc3c2)cc1 ZINC001251845789 1317507844 /nfs/dbraw/zinc/50/78/44/1317507844.db2.gz GCGDEGZTSCZHFX-UHFFFAOYSA-N -1 1 348.409 2.451 20 0 EEADMM CCCCOC(=O)[C@H]1CCN(C(=O)c2[n-][nH]c3cc(=O)ccc2-3)C1 ZINC001155266767 1317531050 /nfs/dbraw/zinc/53/10/50/1317531050.db2.gz PITNGBBIEXRNMV-NSHDSACASA-N -1 1 331.372 2.074 20 0 EEADMM O=S(=O)([N-]c1cc(Br)c2nccn2c1)C(F)(F)F ZINC001252285513 1317575198 /nfs/dbraw/zinc/57/51/98/1317575198.db2.gz BMBHIRKKVNJVJM-UHFFFAOYSA-N -1 1 344.112 2.358 20 0 EEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C(F)(F)F)CCN1Cc1ccccc1 ZINC001252371882 1317592829 /nfs/dbraw/zinc/59/28/29/1317592829.db2.gz GTBALEKFMUHNAW-YPMHNXCESA-N -1 1 336.379 2.479 20 0 EEADMM CC(C)S(=O)(=O)[N-][C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001252605564 1317646288 /nfs/dbraw/zinc/64/62/88/1317646288.db2.gz HTNIXZWMKZPOMM-CQSZACIVSA-N -1 1 332.416 2.224 20 0 EEADMM 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20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609333075 1351936118 /nfs/dbraw/zinc/93/61/18/1351936118.db2.gz JORNTQGGCKIMJB-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609333075 1351936119 /nfs/dbraw/zinc/93/61/19/1351936119.db2.gz JORNTQGGCKIMJB-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1c(C)cnc(CNc2snc(C)c2-c2nn[n-]n2)c1C ZINC001609333051 1351936254 /nfs/dbraw/zinc/93/62/54/1351936254.db2.gz HMTNNMATHONKFP-UHFFFAOYSA-N -1 1 331.405 2.264 20 0 EEADMM COc1cccc(F)c1[C@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001609361861 1351947192 /nfs/dbraw/zinc/94/71/92/1351947192.db2.gz BLRWMQMENAGUCD-QMMMGPOBSA-N -1 1 334.380 2.322 20 0 EEADMM COc1cccc(F)c1[C@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001609361861 1351947196 /nfs/dbraw/zinc/94/71/96/1351947196.db2.gz BLRWMQMENAGUCD-QMMMGPOBSA-N -1 1 334.380 2.322 20 0 EEADMM CSCC(C)(C)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609370420 1351949647 /nfs/dbraw/zinc/94/96/47/1351949647.db2.gz IJKOCQREXAKIQQ-UHFFFAOYSA-N -1 1 341.387 2.150 20 0 EEADMM CSCC(C)(C)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609370420 1351949650 /nfs/dbraw/zinc/94/96/50/1351949650.db2.gz IJKOCQREXAKIQQ-UHFFFAOYSA-N -1 1 341.387 2.150 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2cccc(Cl)c2)nn1C ZINC001609378809 1351952656 /nfs/dbraw/zinc/95/26/56/1351952656.db2.gz GFVYYVLYTCIUQU-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2cccc(Cl)c2)nn1C ZINC001609378809 1351952659 /nfs/dbraw/zinc/95/26/59/1351952659.db2.gz GFVYYVLYTCIUQU-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1cc(N2CCCN(c3ccccc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001609405770 1351963632 /nfs/dbraw/zinc/96/36/32/1351963632.db2.gz XNZFGQWQCPCYLR-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM Cc1cc(N2CCCN(c3ccccc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001609405770 1351963635 /nfs/dbraw/zinc/96/36/35/1351963635.db2.gz XNZFGQWQCPCYLR-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1OC(F)F ZINC001609426799 1351972472 /nfs/dbraw/zinc/97/24/72/1351972472.db2.gz QYMGAGJIBOCBTR-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC001609426799 1351972476 /nfs/dbraw/zinc/97/24/76/1351972476.db2.gz QYMGAGJIBOCBTR-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001609416582 1351968330 /nfs/dbraw/zinc/96/83/30/1351968330.db2.gz WRSMHVQGMYXMQC-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609436235 1351976089 /nfs/dbraw/zinc/97/60/89/1351976089.db2.gz XLVQGILZIOQNMG-UHFFFAOYSA-N -1 1 332.367 2.110 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609436235 1351976090 /nfs/dbraw/zinc/97/60/90/1351976090.db2.gz XLVQGILZIOQNMG-UHFFFAOYSA-N -1 1 332.367 2.110 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001609466124 1351988049 /nfs/dbraw/zinc/98/80/49/1351988049.db2.gz DPFIMFMUGKHQEW-UHFFFAOYSA-N -1 1 338.283 2.214 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001609466124 1351988050 /nfs/dbraw/zinc/98/80/50/1351988050.db2.gz DPFIMFMUGKHQEW-UHFFFAOYSA-N -1 1 338.283 2.214 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC001609467456 1351988424 /nfs/dbraw/zinc/98/84/24/1351988424.db2.gz GZOVINUXMHGVMC-CQSZACIVSA-N -1 1 340.387 2.333 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](c1cccnc1)C(C)C ZINC001609467456 1351988428 /nfs/dbraw/zinc/98/84/28/1351988428.db2.gz GZOVINUXMHGVMC-CQSZACIVSA-N -1 1 340.387 2.333 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3ccnc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC001609490416 1351996177 /nfs/dbraw/zinc/99/61/77/1351996177.db2.gz TXTAXWUPDAQMBW-GOEBONIOSA-N -1 1 340.362 2.155 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC001609490416 1351996179 /nfs/dbraw/zinc/99/61/79/1351996179.db2.gz TXTAXWUPDAQMBW-GOEBONIOSA-N -1 1 340.362 2.155 20 0 EEADMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001609545193 1352011323 /nfs/dbraw/zinc/01/13/23/1352011323.db2.gz NMWPUJAGIMIZIK-UHFFFAOYSA-N -1 1 341.346 2.352 20 0 EEADMM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609545193 1352011329 /nfs/dbraw/zinc/01/13/29/1352011329.db2.gz NMWPUJAGIMIZIK-UHFFFAOYSA-N -1 1 341.346 2.352 20 0 EEADMM c1ccc2c(c1)COC21CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609618835 1352042047 /nfs/dbraw/zinc/04/20/47/1352042047.db2.gz RCIUXWUCXLJWSN-UHFFFAOYSA-N -1 1 334.383 2.288 20 0 EEADMM c1ccc2c(c1)COC21CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609618835 1352042053 /nfs/dbraw/zinc/04/20/53/1352042053.db2.gz RCIUXWUCXLJWSN-UHFFFAOYSA-N -1 1 334.383 2.288 20 0 EEADMM CC(C)(C)c1nc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC001609671553 1352055365 /nfs/dbraw/zinc/05/53/65/1352055365.db2.gz WXBSDCMHBHJZHF-UHFFFAOYSA-N -1 1 335.339 2.261 20 0 EEADMM CC(C)c1[nH]ncc1C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001609717809 1352067807 /nfs/dbraw/zinc/06/78/07/1352067807.db2.gz ASXOOBOZBCDHCT-UHFFFAOYSA-N -1 1 340.343 2.064 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1ccc2nn[nH]c2c1 ZINC001609727188 1352070007 /nfs/dbraw/zinc/07/00/07/1352070007.db2.gz ITZZDUSLENLWML-JTQLQIEISA-N -1 1 339.355 2.485 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1ccc2n[nH]nc2c1 ZINC001609727188 1352070014 /nfs/dbraw/zinc/07/00/14/1352070014.db2.gz ITZZDUSLENLWML-JTQLQIEISA-N -1 1 339.355 2.485 20 0 EEADMM C[C@H](CN(CN1C(=O)C(C)(C)[C@H]1c1ccncc1)C1CC1)C(=O)[O-] ZINC001609741763 1352074204 /nfs/dbraw/zinc/07/42/04/1352074204.db2.gz MUWJMBQDXYJAGG-IUODEOHRSA-N -1 1 331.416 2.134 20 0 EEADMM Cn1c(Cc2nnn[n-]2)nnc1N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001338271584 1336829575 /nfs/dbraw/zinc/82/95/75/1336829575.db2.gz ITMCAALXHWXZPV-LBPRGKRZSA-N -1 1 338.419 2.200 20 0 EEADMM Cn1c(Cc2nn[n-]n2)nnc1N1C[C@H](C(C)(C)C)c2ccccc21 ZINC001338271584 1336829577 /nfs/dbraw/zinc/82/95/77/1336829577.db2.gz ITMCAALXHWXZPV-LBPRGKRZSA-N -1 1 338.419 2.200 20 0 EEADMM C[C@@]1(c2ccccc2)CC(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001609825840 1352094743 /nfs/dbraw/zinc/09/47/43/1352094743.db2.gz ZZICLDCLLVHIJH-VQIMIIECSA-N -1 1 342.439 2.321 20 0 EEADMM COCC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)CC1 ZINC001339682801 1337052546 /nfs/dbraw/zinc/05/25/46/1337052546.db2.gz WGJJUSJEGFKZTP-UHFFFAOYSA-N -1 1 337.811 2.099 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC001609870162 1352107524 /nfs/dbraw/zinc/10/75/24/1352107524.db2.gz ZLHFCARAKFBFQX-SFAKSCPVSA-N -1 1 334.391 2.236 20 0 EEADMM CCN(C(C)=O)c1nc(CN[C@@H](CC(C)(C)C)C(=O)[O-])cs1 ZINC001609989478 1352135725 /nfs/dbraw/zinc/13/57/25/1352135725.db2.gz ILGYNAUVROWCEC-LBPRGKRZSA-N -1 1 327.450 2.495 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(Cl)c1 ZINC001347975388 1337529052 /nfs/dbraw/zinc/52/90/52/1337529052.db2.gz RXPJSBDUSKGCLK-GFCCVEGCSA-N -1 1 349.822 2.337 20 0 EEADMM CCOC(=O)c1cnn(C2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC001610025177 1352144497 /nfs/dbraw/zinc/14/44/97/1352144497.db2.gz WTZKOENZTRUQGX-UHFFFAOYSA-N -1 1 347.371 2.188 20 0 EEADMM Cc1cc(OCCCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)ccc1Cl ZINC001350234520 1337685248 /nfs/dbraw/zinc/68/52/48/1337685248.db2.gz NRKKHHHXQJDQHJ-GFCCVEGCSA-N -1 1 349.822 2.337 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](CCCO)c1ccccc1 ZINC001351657453 1337834726 /nfs/dbraw/zinc/83/47/26/1337834726.db2.gz PRPPQHRYTVOYRS-GFCCVEGCSA-N -1 1 333.413 2.023 20 0 EEADMM O=C(c1cccc(Nc2nccs2)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352583210 1337988772 /nfs/dbraw/zinc/98/87/72/1337988772.db2.gz BMCCDCBBWBMRPI-LLVKDONJSA-N -1 1 341.400 2.030 20 0 EEADMM CC[C@H](C)CONC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847376084 1337993207 /nfs/dbraw/zinc/99/32/07/1337993207.db2.gz OBJBZQSORZHNDB-HBNTYKKESA-N -1 1 339.358 2.205 20 0 EEADMM COC(=O)[C@@H](Sc1nc(C2CC2)n[nH]1)c1cccc(C(=O)[O-])c1 ZINC001610155607 1352174357 /nfs/dbraw/zinc/17/43/57/1352174357.db2.gz MKYDTGKPRIKLSN-NSHDSACASA-N -1 1 333.369 2.387 20 0 EEADMM COC(=O)[C@@H]1CSCCN([C@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001610179253 1352179651 /nfs/dbraw/zinc/17/96/51/1352179651.db2.gz OIZVBTGENTVJGA-MNOVXSKESA-N -1 1 327.402 2.185 20 0 EEADMM COc1ccc([C@H](C)CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001610319753 1352204740 /nfs/dbraw/zinc/20/47/40/1352204740.db2.gz ZMGINMHXHNUVEU-HUUCEWRRSA-N -1 1 348.443 2.196 20 0 EEADMM COc1ccccc1-c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001610362937 1352210871 /nfs/dbraw/zinc/21/08/71/1352210871.db2.gz PNELXGLOURUDPL-RDJZCZTQSA-N -1 1 327.380 2.382 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](CCCO)C1 ZINC001610486777 1352230953 /nfs/dbraw/zinc/23/09/53/1352230953.db2.gz LOOPDRKYHDDZMP-ZIAGYGMSSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cccc3c[nH]nc32)c1C(=O)[O-] ZINC001610526804 1352238954 /nfs/dbraw/zinc/23/89/54/1352238954.db2.gz YMHQBHWWYGMMME-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM CC(C)CC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001427705538 1339373548 /nfs/dbraw/zinc/37/35/48/1339373548.db2.gz QWGGYFYVLOCSJD-ZDUSSCGKSA-N -1 1 335.448 2.436 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001610663704 1352258665 /nfs/dbraw/zinc/25/86/65/1352258665.db2.gz JKKJNCZQDIYZNP-LSDHHAIUSA-N -1 1 332.400 2.072 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001428941754 1339746473 /nfs/dbraw/zinc/74/64/73/1339746473.db2.gz BPKARGPUHFYQHK-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC1(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001428973715 1339757475 /nfs/dbraw/zinc/75/74/75/1339757475.db2.gz OZOHEPDNNNZSPX-CHWSQXEVSA-N -1 1 331.416 2.135 20 0 EEADMM CC1(C)CC[C@H](C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)C1 ZINC001429957277 1340069189 /nfs/dbraw/zinc/06/91/89/1340069189.db2.gz VETCUFCIUFWDAW-KBPBESRZSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)c1cnc2nccn2c1 ZINC001616325422 1352327700 /nfs/dbraw/zinc/32/77/00/1352327700.db2.gz XSCYBVUTROTCIG-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM Cc1csc([C@@H](C)C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)n1 ZINC001617743781 1352344261 /nfs/dbraw/zinc/34/42/61/1352344261.db2.gz LXUUWFLFTIKBIE-JTQLQIEISA-N -1 1 344.400 2.286 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(F)cc(F)c1)NC(=O)c1ncccc1[O-] ZINC001432820121 1341402145 /nfs/dbraw/zinc/40/21/45/1341402145.db2.gz BCOLBLCIKDYFBK-ZDUSSCGKSA-N -1 1 349.337 2.004 20 0 EEADMM CC(C)C[C@H](CNC(=O)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001433014594 1341465456 /nfs/dbraw/zinc/46/54/56/1341465456.db2.gz FPOUKFYMQBFRHF-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1ccoc1C1CC1 ZINC001433168061 1341522142 /nfs/dbraw/zinc/52/21/42/1341522142.db2.gz ZVLJUGAASAZDIO-UHFFFAOYSA-N -1 1 343.383 2.102 20 0 EEADMM O=C(NCCc1cscn1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130502 1342541632 /nfs/dbraw/zinc/54/16/32/1342541632.db2.gz FCVINKHXENOAAY-UHFFFAOYSA-N -1 1 329.385 2.399 20 0 EEADMM CCOc1c(F)cccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001578384252 1344271094 /nfs/dbraw/zinc/27/10/94/1344271094.db2.gz FMYBQCXULPDYSC-UHFFFAOYSA-N -1 1 342.334 2.076 20 0 EEADMM CCOc1c(F)cccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001578384252 1344271099 /nfs/dbraw/zinc/27/10/99/1344271099.db2.gz FMYBQCXULPDYSC-UHFFFAOYSA-N -1 1 342.334 2.076 20 0 EEADMM CC[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001578427545 1344278047 /nfs/dbraw/zinc/27/80/47/1344278047.db2.gz INDXMDFFWQOISE-VHSXEESVSA-N -1 1 341.462 2.127 20 0 EEADMM CC[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001578427545 1344278050 /nfs/dbraw/zinc/27/80/50/1344278050.db2.gz INDXMDFFWQOISE-VHSXEESVSA-N -1 1 341.462 2.127 20 0 EEADMM CN[C@H](C(=O)[N-]O[C@H](CO)C(C)C)c1cccc(Cl)c1Cl ZINC001578567342 1344288730 /nfs/dbraw/zinc/28/87/30/1344288730.db2.gz AVNZWNUGCWXKDO-YPMHNXCESA-N -1 1 335.231 2.319 20 0 EEADMM COC(=O)C[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001579450788 1344383612 /nfs/dbraw/zinc/38/36/12/1344383612.db2.gz AKFQFZHOBFDANU-BDAKNGLRSA-N -1 1 336.783 2.059 20 0 EEADMM COC(=O)C[C@@H]1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001579450788 1344383617 /nfs/dbraw/zinc/38/36/17/1344383617.db2.gz AKFQFZHOBFDANU-BDAKNGLRSA-N -1 1 336.783 2.059 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001580070274 1344463279 /nfs/dbraw/zinc/46/32/79/1344463279.db2.gz POOIKQRPCBWXNR-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001580070274 1344463281 /nfs/dbraw/zinc/46/32/81/1344463281.db2.gz POOIKQRPCBWXNR-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580079267 1344467331 /nfs/dbraw/zinc/46/73/31/1344467331.db2.gz FEYVMBFLIDFDBU-WMLDXEAASA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580079267 1344467332 /nfs/dbraw/zinc/46/73/32/1344467332.db2.gz FEYVMBFLIDFDBU-WMLDXEAASA-N -1 1 337.387 2.116 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCCC1 ZINC001580435092 1344520163 /nfs/dbraw/zinc/52/01/63/1344520163.db2.gz DMDPRGIIYPILTQ-JTQLQIEISA-N -1 1 332.412 2.081 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCCC1 ZINC001580435092 1344520165 /nfs/dbraw/zinc/52/01/65/1344520165.db2.gz DMDPRGIIYPILTQ-JTQLQIEISA-N -1 1 332.412 2.081 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(C)(C)CC(C)C ZINC001580603433 1344542170 /nfs/dbraw/zinc/54/21/70/1344542170.db2.gz MRUQDVZORPGQAU-UHFFFAOYSA-N -1 1 332.408 2.078 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)n1C ZINC001580887188 1344569276 /nfs/dbraw/zinc/56/92/76/1344569276.db2.gz JMSWRGNULJFDSG-UHFFFAOYSA-N -1 1 342.407 2.026 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(C)n1C ZINC001580887188 1344569278 /nfs/dbraw/zinc/56/92/78/1344569278.db2.gz JMSWRGNULJFDSG-UHFFFAOYSA-N -1 1 342.407 2.026 20 0 EEADMM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nnn[n-]4)nc3)c[nH]c2c1 ZINC001581214209 1344599559 /nfs/dbraw/zinc/59/95/59/1344599559.db2.gz AIMVYWZKQBZEDN-UHFFFAOYSA-N -1 1 347.382 2.257 20 0 EEADMM Cc1ccc2c(CC(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)c[nH]c2c1 ZINC001581214209 1344599562 /nfs/dbraw/zinc/59/95/62/1344599562.db2.gz AIMVYWZKQBZEDN-UHFFFAOYSA-N -1 1 347.382 2.257 20 0 EEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001581260926 1344607749 /nfs/dbraw/zinc/60/77/49/1344607749.db2.gz KMXLGODIPYPVFY-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM Cc1nc(Nc2cccc(N=S(C)(C)=O)c2)cc(-c2nnn[n-]2)n1 ZINC001581530792 1344635811 /nfs/dbraw/zinc/63/58/11/1344635811.db2.gz MDHHHCGNTJJMIN-UHFFFAOYSA-N -1 1 344.404 2.068 20 0 EEADMM Cc1nc(Nc2cccc(N=S(C)(C)=O)c2)cc(-c2nn[n-]n2)n1 ZINC001581530792 1344635817 /nfs/dbraw/zinc/63/58/17/1344635817.db2.gz MDHHHCGNTJJMIN-UHFFFAOYSA-N -1 1 344.404 2.068 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC[C@H]2F)c1-c1nnn[n-]1 ZINC001581686965 1344654324 /nfs/dbraw/zinc/65/43/24/1344654324.db2.gz XIFNJBBZVVSLMN-HTQZYQBOSA-N -1 1 325.373 2.034 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC[C@H]2F)c1-c1nn[n-]n1 ZINC001581686965 1344654327 /nfs/dbraw/zinc/65/43/27/1344654327.db2.gz XIFNJBBZVVSLMN-HTQZYQBOSA-N -1 1 325.373 2.034 20 0 EEADMM Clc1cc2c(cc1Sc1ncncc1-c1nnn[n-]1)OCCO2 ZINC001581746300 1344660670 /nfs/dbraw/zinc/66/06/70/1344660670.db2.gz QSFVHZOSNSZPNJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cc2c(cc1Sc1ncncc1-c1nn[n-]n1)OCCO2 ZINC001581746300 1344660674 /nfs/dbraw/zinc/66/06/74/1344660674.db2.gz QSFVHZOSNSZPNJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Cn1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC001581824304 1344673686 /nfs/dbraw/zinc/67/36/86/1344673686.db2.gz MESDAZQKOGLSSG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC001581824304 1344673689 /nfs/dbraw/zinc/67/36/89/1344673689.db2.gz MESDAZQKOGLSSG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1Cl ZINC001582558497 1344762520 /nfs/dbraw/zinc/76/25/20/1344762520.db2.gz ADJGCFJEZTXJHR-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1Cl ZINC001582558497 1344762524 /nfs/dbraw/zinc/76/25/24/1344762524.db2.gz ADJGCFJEZTXJHR-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1ccc(C)c(-c3nnn[n-]3)n1)CC2 ZINC001588878583 1348939770 /nfs/dbraw/zinc/93/97/70/1348939770.db2.gz KCVJGMAXBZGSGD-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1ccc(C)c(-c3nn[n-]n3)n1)CC2 ZINC001588878583 1348939772 /nfs/dbraw/zinc/93/97/72/1348939772.db2.gz KCVJGMAXBZGSGD-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(C)(C)C1CCN(NC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001589103292 1348959816 /nfs/dbraw/zinc/95/98/16/1348959816.db2.gz QVEBKEOPMAOFDJ-UHFFFAOYSA-N -1 1 334.449 2.331 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001589148770 1348966094 /nfs/dbraw/zinc/96/60/94/1348966094.db2.gz OGVBTFMAAUIKTR-LBPRGKRZSA-N -1 1 344.419 2.352 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001589148770 1348966096 /nfs/dbraw/zinc/96/60/96/1348966096.db2.gz OGVBTFMAAUIKTR-LBPRGKRZSA-N -1 1 344.419 2.352 20 0 EEADMM CC(C)(CC(F)(F)F)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589269895 1348976448 /nfs/dbraw/zinc/97/64/48/1348976448.db2.gz MBQRSOMHYKTOPW-UHFFFAOYSA-N -1 1 329.286 2.114 20 0 EEADMM CC(C)(CC(F)(F)F)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589269895 1348976451 /nfs/dbraw/zinc/97/64/51/1348976451.db2.gz MBQRSOMHYKTOPW-UHFFFAOYSA-N -1 1 329.286 2.114 20 0 EEADMM CC(C)(CCCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589275658 1348977604 /nfs/dbraw/zinc/97/76/04/1348977604.db2.gz DGGRIXHEQRCJKH-UHFFFAOYSA-N -1 1 339.403 2.335 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589550324 1349002871 /nfs/dbraw/zinc/00/28/71/1349002871.db2.gz DYLHNCJHWBRWFZ-NSHDSACASA-N -1 1 337.449 2.386 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589550333 1349003004 /nfs/dbraw/zinc/00/30/04/1349003004.db2.gz FKCGMWQEXFGHDD-GFCCVEGCSA-N -1 1 333.392 2.146 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589550333 1349003009 /nfs/dbraw/zinc/00/30/09/1349003009.db2.gz FKCGMWQEXFGHDD-GFCCVEGCSA-N -1 1 333.392 2.146 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001589899578 1349057509 /nfs/dbraw/zinc/05/75/09/1349057509.db2.gz LINMYEPLTVWFDY-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001589899578 1349057514 /nfs/dbraw/zinc/05/75/14/1349057514.db2.gz LINMYEPLTVWFDY-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H]1OCCc2sccc21 ZINC001589983642 1349091743 /nfs/dbraw/zinc/09/17/43/1349091743.db2.gz GORJVKPBHZWHMW-LKFCYVNXSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H]1OCCc2sccc21 ZINC001589983642 1349091748 /nfs/dbraw/zinc/09/17/48/1349091748.db2.gz GORJVKPBHZWHMW-LKFCYVNXSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1nc2cc(Cl)ccc2[nH]1 ZINC001589992666 1349097116 /nfs/dbraw/zinc/09/71/16/1349097116.db2.gz YXQMCGZTDJZPGB-SSDOTTSWSA-N -1 1 341.766 2.360 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590051564 1349132017 /nfs/dbraw/zinc/13/20/17/1349132017.db2.gz LSGJGKYSZPKHEX-GXFFZTMASA-N -1 1 344.806 2.492 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590051564 1349132023 /nfs/dbraw/zinc/13/20/23/1349132023.db2.gz LSGJGKYSZPKHEX-GXFFZTMASA-N -1 1 344.806 2.492 20 0 EEADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590153319 1349176127 /nfs/dbraw/zinc/17/61/27/1349176127.db2.gz MBLRNAXMVAUBJW-IBGZPJMESA-N -1 1 348.410 2.456 20 0 EEADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590153319 1349176136 /nfs/dbraw/zinc/17/61/36/1349176136.db2.gz MBLRNAXMVAUBJW-IBGZPJMESA-N -1 1 348.410 2.456 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216945 1349203943 /nfs/dbraw/zinc/20/39/43/1349203943.db2.gz BQQFBIKFBNHZCE-GRLWKWRFSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216945 1349203948 /nfs/dbraw/zinc/20/39/48/1349203948.db2.gz BQQFBIKFBNHZCE-GRLWKWRFSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590216083 1349204015 /nfs/dbraw/zinc/20/40/15/1349204015.db2.gz YBWOZUMHRNVTFQ-JSGCOSHPSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590216083 1349204019 /nfs/dbraw/zinc/20/40/19/1349204019.db2.gz YBWOZUMHRNVTFQ-JSGCOSHPSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1c1cccc(F)c1 ZINC001590274702 1349243676 /nfs/dbraw/zinc/24/36/76/1349243676.db2.gz OLZASHRGBSBXKA-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC001590274702 1349243679 /nfs/dbraw/zinc/24/36/79/1349243679.db2.gz OLZASHRGBSBXKA-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590283627 1349245949 /nfs/dbraw/zinc/24/59/49/1349245949.db2.gz VBZJEUWRDXDDTP-OQPBUACISA-N -1 1 344.400 2.061 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccccc2)O1 ZINC001590298744 1349252653 /nfs/dbraw/zinc/25/26/53/1349252653.db2.gz NUSQQJMWVFKUBW-IAQYHMDHSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccccc2)O1 ZINC001590298744 1349252657 /nfs/dbraw/zinc/25/26/57/1349252657.db2.gz NUSQQJMWVFKUBW-IAQYHMDHSA-N -1 1 339.355 2.062 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590356355 1349281541 /nfs/dbraw/zinc/28/15/41/1349281541.db2.gz YQJPBOCJZPGVES-QAVQXKDTSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590356355 1349281548 /nfs/dbraw/zinc/28/15/48/1349281548.db2.gz YQJPBOCJZPGVES-QAVQXKDTSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@@H](C)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001590406502 1349307428 /nfs/dbraw/zinc/30/74/28/1349307428.db2.gz AWBCNHWMVYHLPC-SECBINFHSA-N -1 1 349.391 2.385 20 0 EEADMM CC[C@@H](C)N(CC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001590411110 1349311410 /nfs/dbraw/zinc/31/14/10/1349311410.db2.gz BITWTFDZINADNI-SECBINFHSA-N -1 1 343.840 2.329 20 0 EEADMM CC[C@]1(C)CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001590490416 1349353872 /nfs/dbraw/zinc/35/38/72/1349353872.db2.gz MRXQGZOACGWJQX-CYBMUJFWSA-N -1 1 342.325 2.286 20 0 EEADMM CC[C@]1(C)CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001590490416 1349353878 /nfs/dbraw/zinc/35/38/78/1349353878.db2.gz MRXQGZOACGWJQX-CYBMUJFWSA-N -1 1 342.325 2.286 20 0 EEADMM CCCN(C(=O)c1nccs1)c1snc(C)c1-c1nnn[n-]1 ZINC001590617634 1349377665 /nfs/dbraw/zinc/37/76/65/1349377665.db2.gz FJFAPBRYDLHQKQ-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCCN(C(=O)c1nccs1)c1snc(C)c1-c1nn[n-]n1 ZINC001590617634 1349377670 /nfs/dbraw/zinc/37/76/70/1349377670.db2.gz FJFAPBRYDLHQKQ-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCCc1ccc(C(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001590657519 1349383154 /nfs/dbraw/zinc/38/31/54/1349383154.db2.gz KJGVYFLKMDLFLH-UHFFFAOYSA-N -1 1 337.383 2.172 20 0 EEADMM CCO[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC001590789637 1349400210 /nfs/dbraw/zinc/40/02/10/1349400210.db2.gz AZAHURABXVEXAO-GJZGRUSLSA-N -1 1 328.420 2.223 20 0 EEADMM CCO[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC001590789637 1349400214 /nfs/dbraw/zinc/40/02/14/1349400214.db2.gz AZAHURABXVEXAO-GJZGRUSLSA-N -1 1 328.420 2.223 20 0 EEADMM CCc1nc(NC[C@]2(C)CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001590918049 1349413180 /nfs/dbraw/zinc/41/31/80/1349413180.db2.gz NEBNQQHTPSHMIH-MRXNPFEDSA-N -1 1 343.435 2.370 20 0 EEADMM CCc1nc(NC[C@]2(C)CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001590918049 1349413185 /nfs/dbraw/zinc/41/31/85/1349413185.db2.gz NEBNQQHTPSHMIH-MRXNPFEDSA-N -1 1 343.435 2.370 20 0 EEADMM CCc1nc(NCc2ccc(-n3ccnc3)cc2)cc(-c2nnn[n-]2)n1 ZINC001590923176 1349414891 /nfs/dbraw/zinc/41/48/91/1349414891.db2.gz WZVBRZOTOBYLAH-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(NCc2ccc(-n3ccnc3)cc2)cc(-c2nn[n-]n2)n1 ZINC001590923176 1349414895 /nfs/dbraw/zinc/41/48/95/1349414895.db2.gz WZVBRZOTOBYLAH-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)C[C@H](OC)C3)cc(-c2nnn[n-]2)n1 ZINC001590925821 1349415783 /nfs/dbraw/zinc/41/57/83/1349415783.db2.gz ZTKOYJRWSRVGCE-CYBMUJFWSA-N -1 1 337.387 2.076 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)C[C@H](OC)C3)cc(-c2nn[n-]n2)n1 ZINC001590925821 1349415788 /nfs/dbraw/zinc/41/57/88/1349415788.db2.gz ZTKOYJRWSRVGCE-CYBMUJFWSA-N -1 1 337.387 2.076 20 0 EEADMM COc1cc2c(cc1F)CC[C@H]2Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591554627 1349505914 /nfs/dbraw/zinc/50/59/14/1349505914.db2.gz FQOQTHWMHDKGGH-CQSZACIVSA-N -1 1 340.362 2.239 20 0 EEADMM COc1cc2c(cc1F)CC[C@H]2Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591554627 1349505918 /nfs/dbraw/zinc/50/59/18/1349505918.db2.gz FQOQTHWMHDKGGH-CQSZACIVSA-N -1 1 340.362 2.239 20 0 EEADMM COc1cccc(OCCCNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001591642137 1349520777 /nfs/dbraw/zinc/52/07/77/1349520777.db2.gz RTVLFKJKCRKDCZ-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1cccc(OCCCNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001591642137 1349520782 /nfs/dbraw/zinc/52/07/82/1349520782.db2.gz RTVLFKJKCRKDCZ-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1ccccc1C1(CNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001591648254 1349523480 /nfs/dbraw/zinc/52/34/80/1349523480.db2.gz BDZMHGBDTHKIEZ-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM COc1ccccc1C1(CNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001591648254 1349523486 /nfs/dbraw/zinc/52/34/86/1349523486.db2.gz BDZMHGBDTHKIEZ-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM Cc1cc([C@](C)(O)CNc2snc(C)c2-c2nn[n-]n2)c(C)o1 ZINC001591940590 1349564141 /nfs/dbraw/zinc/56/41/41/1349564141.db2.gz MSDGRDNGLNPWJF-CQSZACIVSA-N -1 1 334.405 2.161 20 0 EEADMM Cc1cc2scc(CC(=O)Nc3n[nH]cc3-c3nnn[n-]3)c2s1 ZINC001592072250 1349589281 /nfs/dbraw/zinc/58/92/81/1349589281.db2.gz MDEIKDAMGPBDES-UHFFFAOYSA-N -1 1 345.413 2.356 20 0 EEADMM Cc1cc2scc(CC(=O)Nc3n[nH]cc3-c3nn[n-]n3)c2s1 ZINC001592072250 1349589284 /nfs/dbraw/zinc/58/92/84/1349589284.db2.gz MDEIKDAMGPBDES-UHFFFAOYSA-N -1 1 345.413 2.356 20 0 EEADMM Cc1ccc2c(ccc(C)c2C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC001592199625 1349607276 /nfs/dbraw/zinc/60/72/76/1349607276.db2.gz ADCPTLRGVOKZNI-UHFFFAOYSA-N -1 1 333.355 2.104 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001592328167 1349622235 /nfs/dbraw/zinc/62/22/35/1349622235.db2.gz RNLCZYFBMILLGF-SFYZADRCSA-N -1 1 343.313 2.205 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CC(=O)c2ccccc2)n1 ZINC001592341692 1349623208 /nfs/dbraw/zinc/62/32/08/1349623208.db2.gz ZSLAVSDEVSLCLY-CQSZACIVSA-N -1 1 349.398 2.207 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CC(=O)c2ccccc2)n1 ZINC001592341692 1349623210 /nfs/dbraw/zinc/62/32/10/1349623210.db2.gz ZSLAVSDEVSLCLY-CQSZACIVSA-N -1 1 349.398 2.207 20 0 EEADMM Cc1nsc(N2CCC(C3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC001592472514 1349634859 /nfs/dbraw/zinc/63/48/59/1349634859.db2.gz OABCPDBFZPYNTF-UHFFFAOYSA-N -1 1 334.449 2.275 20 0 EEADMM Cc1nsc(N2CCOc3cc(F)ccc3C2)c1-c1nn[n-]n1 ZINC001592476586 1349635498 /nfs/dbraw/zinc/63/54/98/1349635498.db2.gz WWLRDTJNLQKQNW-UHFFFAOYSA-N -1 1 332.364 2.170 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC001592496322 1349637096 /nfs/dbraw/zinc/63/70/96/1349637096.db2.gz DFTFXXNKDNBVDJ-CYBMUJFWSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 ZINC001592496322 1349637097 /nfs/dbraw/zinc/63/70/97/1349637097.db2.gz DFTFXXNKDNBVDJ-CYBMUJFWSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC001592496534 1349637156 /nfs/dbraw/zinc/63/71/56/1349637156.db2.gz GKRKFDOIJCBUEJ-UHFFFAOYSA-N -1 1 345.403 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(OC2CCCC2)CC1 ZINC001592496534 1349637157 /nfs/dbraw/zinc/63/71/57/1349637157.db2.gz GKRKFDOIJCBUEJ-UHFFFAOYSA-N -1 1 345.403 2.332 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC001592503895 1349640685 /nfs/dbraw/zinc/64/06/85/1349640685.db2.gz ZKWUJGFDXNJBNA-YMTOWFKASA-N -1 1 325.328 2.020 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC001592503895 1349640689 /nfs/dbraw/zinc/64/06/89/1349640689.db2.gz ZKWUJGFDXNJBNA-YMTOWFKASA-N -1 1 325.328 2.020 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2ncccn2)nc1-c1nnn[n-]1 ZINC001592532554 1349650141 /nfs/dbraw/zinc/65/01/41/1349650141.db2.gz RNKYYEBJCHFFQN-NSHDSACASA-N -1 1 342.794 2.437 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592532554 1349650143 /nfs/dbraw/zinc/65/01/43/1349650143.db2.gz RNKYYEBJCHFFQN-NSHDSACASA-N -1 1 342.794 2.437 20 0 EEADMM Clc1nc(Nc2cccc(-n3ccnn3)c2)sc1-c1nnn[n-]1 ZINC001592538917 1349651989 /nfs/dbraw/zinc/65/19/89/1349651989.db2.gz NIJQAOYTXSQLRB-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM Clc1nc(Nc2cccc(-n3ccnn3)c2)sc1-c1nn[n-]n1 ZINC001592538917 1349651992 /nfs/dbraw/zinc/65/19/92/1349651992.db2.gz NIJQAOYTXSQLRB-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM Clc1nsc(N2CC(CC3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001592538603 1349652299 /nfs/dbraw/zinc/65/22/99/1349652299.db2.gz ZSBLCBFUQFITHW-UHFFFAOYSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CC(CC3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001592538603 1349652300 /nfs/dbraw/zinc/65/23/00/1349652300.db2.gz ZSBLCBFUQFITHW-UHFFFAOYSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1sc(NCCc2cn3ccccc3n2)nc1-c1nn[n-]n1 ZINC001592543041 1349654267 /nfs/dbraw/zinc/65/42/67/1349654267.db2.gz LDBHPVUMARNYOW-UHFFFAOYSA-N -1 1 346.807 2.279 20 0 EEADMM Clc1sc(NCc2ccn3ccnc3c2)nc1-c1nn[n-]n1 ZINC001592542476 1349654337 /nfs/dbraw/zinc/65/43/37/1349654337.db2.gz FGOIGIMHQQQKAY-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Cn1cc2c(n1)CCC[C@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592577569 1349660876 /nfs/dbraw/zinc/66/08/76/1349660876.db2.gz IIBVBHUBGNYLHU-SNVBAGLBSA-N -1 1 330.783 2.138 20 0 EEADMM Cn1cc2c(n1)CCC[C@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592577569 1349660878 /nfs/dbraw/zinc/66/08/78/1349660878.db2.gz IIBVBHUBGNYLHU-SNVBAGLBSA-N -1 1 330.783 2.138 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC001592622358 1349676682 /nfs/dbraw/zinc/67/66/82/1349676682.db2.gz DQFBVDAVWYYCEE-ONGXEEELSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC001592622358 1349676686 /nfs/dbraw/zinc/67/66/86/1349676686.db2.gz DQFBVDAVWYYCEE-ONGXEEELSA-N -1 1 340.309 2.260 20 0 EEADMM FC1(F)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1ccccc1 ZINC001592631902 1349682354 /nfs/dbraw/zinc/68/23/54/1349682354.db2.gz ZUXHMKCALFIQSA-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM FC1(F)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1ccccc1 ZINC001592631902 1349682364 /nfs/dbraw/zinc/68/23/64/1349682364.db2.gz ZUXHMKCALFIQSA-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM Fc1ccc(-c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)c(F)c1 ZINC001592646702 1349692823 /nfs/dbraw/zinc/69/28/23/1349692823.db2.gz ZAIGGSJVXBNITA-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1ccc(-c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)c(F)c1 ZINC001592646702 1349692825 /nfs/dbraw/zinc/69/28/25/1349692825.db2.gz ZAIGGSJVXBNITA-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592829328 1349717776 /nfs/dbraw/zinc/71/77/76/1349717776.db2.gz SQSRIXIZBNKFOL-YFKPBYRVSA-N -1 1 333.204 2.236 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592829328 1349717777 /nfs/dbraw/zinc/71/77/77/1349717777.db2.gz SQSRIXIZBNKFOL-YFKPBYRVSA-N -1 1 333.204 2.236 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592954681 1349729714 /nfs/dbraw/zinc/72/97/14/1349729714.db2.gz FGWBWFWXWZUAQL-UKRRQHHQSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592954681 1349729716 /nfs/dbraw/zinc/72/97/16/1349729716.db2.gz FGWBWFWXWZUAQL-UKRRQHHQSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H]1CCCC12CCOCC2)c1csc(-c2nn[n-]n2)c1 ZINC001592978636 1349731532 /nfs/dbraw/zinc/73/15/32/1349731532.db2.gz QJGIROAFWAZUPN-LBPRGKRZSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1coc2cc(O)ccc12 ZINC001593137053 1349739491 /nfs/dbraw/zinc/73/94/91/1349739491.db2.gz NTHAGNSZJLXTFU-UHFFFAOYSA-N -1 1 341.352 2.310 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc2c(F)cccc2c1 ZINC001593245440 1349749539 /nfs/dbraw/zinc/74/95/39/1349749539.db2.gz MIYRCHREZBURNQ-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc2c(F)cccc2c1 ZINC001593245440 1349749543 /nfs/dbraw/zinc/74/95/43/1349749543.db2.gz MIYRCHREZBURNQ-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CC(c2ccccc2)C1 ZINC001593256375 1349752898 /nfs/dbraw/zinc/75/28/98/1349752898.db2.gz QYLCPBJJJDDZED-UHFFFAOYSA-N -1 1 335.371 2.329 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CC(c2ccccc2)C1 ZINC001593256375 1349752902 /nfs/dbraw/zinc/75/29/02/1349752902.db2.gz QYLCPBJJJDDZED-UHFFFAOYSA-N -1 1 335.371 2.329 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001593263911 1349755260 /nfs/dbraw/zinc/75/52/60/1349755260.db2.gz IEYHZNYHYOLFPU-FSDSQADBSA-N -1 1 339.812 2.287 20 0 EEADMM O=C(Nc1nccnc1-c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593268565 1349756442 /nfs/dbraw/zinc/75/64/42/1349756442.db2.gz XFZYIKUEDWMPDQ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1nccnc1-c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593268565 1349756443 /nfs/dbraw/zinc/75/64/43/1349756443.db2.gz XFZYIKUEDWMPDQ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccsc1-c1nnn[n-]1 ZINC001593285920 1349763159 /nfs/dbraw/zinc/76/31/59/1349763159.db2.gz ZYVVMFRXDHPETL-POYBYMJQSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OC[C@@H]1CC[C@H](C(F)(F)F)O1)c1ccsc1-c1nn[n-]n1 ZINC001593285920 1349763163 /nfs/dbraw/zinc/76/31/63/1349763163.db2.gz ZYVVMFRXDHPETL-POYBYMJQSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCc2c(O)cccc21 ZINC001593298029 1349771588 /nfs/dbraw/zinc/77/15/88/1349771588.db2.gz WVBYSYZPGCTDEP-CYBMUJFWSA-N -1 1 340.339 2.329 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCc2c(O)cccc21 ZINC001593298029 1349771592 /nfs/dbraw/zinc/77/15/92/1349771592.db2.gz WVBYSYZPGCTDEP-CYBMUJFWSA-N -1 1 340.339 2.329 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001593348043 1349786750 /nfs/dbraw/zinc/78/67/50/1349786750.db2.gz MFJQSUTZPSOXMT-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001593348043 1349786756 /nfs/dbraw/zinc/78/67/56/1349786756.db2.gz MFJQSUTZPSOXMT-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(CC1CC1)C1CCCCC1 ZINC001593358854 1349789698 /nfs/dbraw/zinc/78/96/98/1349789698.db2.gz QQANIVYZEBPKLS-UHFFFAOYSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(CC1CC1)C1CCCCC1 ZINC001593358854 1349789703 /nfs/dbraw/zinc/78/97/03/1349789703.db2.gz QQANIVYZEBPKLS-UHFFFAOYSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC001593387965 1349795750 /nfs/dbraw/zinc/79/57/50/1349795750.db2.gz BMRQZCQEDHKSBD-ZDUSSCGKSA-N -1 1 349.350 2.271 20 0 EEADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)Nc2cc(F)c(F)cc21 ZINC001593402561 1349797310 /nfs/dbraw/zinc/79/73/10/1349797310.db2.gz QFBSCZTTWFJDDC-NSHDSACASA-N -1 1 334.311 2.061 20 0 EEADMM c1c(Sc2nnc(C3CC3)s2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543565 1349838240 /nfs/dbraw/zinc/83/82/40/1349838240.db2.gz TYPGYATXGMKDIT-UHFFFAOYSA-N -1 1 344.429 2.414 20 0 EEADMM c1c(Sc2nnc(C3CC3)s2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543565 1349838245 /nfs/dbraw/zinc/83/82/45/1349838245.db2.gz TYPGYATXGMKDIT-UHFFFAOYSA-N -1 1 344.429 2.414 20 0 EEADMM c1cc2c(cccc2N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001593549756 1349843359 /nfs/dbraw/zinc/84/33/59/1349843359.db2.gz DEKFRQORROMOLD-UHFFFAOYSA-N -1 1 346.398 2.070 20 0 EEADMM c1cc2c(cccc2N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001593549756 1349843369 /nfs/dbraw/zinc/84/33/69/1349843369.db2.gz DEKFRQORROMOLD-UHFFFAOYSA-N -1 1 346.398 2.070 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1nccnc1-c1nnn[n-]1 ZINC001593567814 1349853831 /nfs/dbraw/zinc/85/38/31/1349853831.db2.gz UQVSJZOMLKIROT-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1nccnc1-c1nn[n-]n1 ZINC001593567814 1349853836 /nfs/dbraw/zinc/85/38/36/1349853836.db2.gz UQVSJZOMLKIROT-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1cc(CCNc2cccc(-c3nnn[n-]3)n2)n(-c2ccccc2)n1 ZINC001593569921 1349854369 /nfs/dbraw/zinc/85/43/69/1349854369.db2.gz KKFSGLOFRCFNOH-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1cc(CCNc2cccc(-c3nn[n-]n3)n2)n(-c2ccccc2)n1 ZINC001593569921 1349854373 /nfs/dbraw/zinc/85/43/73/1349854373.db2.gz KKFSGLOFRCFNOH-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1nn(-c2ccccc2)cc1CCNc1cccnc1-c1nnn[n-]1 ZINC001593569641 1349854770 /nfs/dbraw/zinc/85/47/70/1349854770.db2.gz QIARKPUQOUWHTM-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1nn(-c2ccccc2)cc1CCNc1cccnc1-c1nn[n-]n1 ZINC001593569641 1349854776 /nfs/dbraw/zinc/85/47/76/1349854776.db2.gz QIARKPUQOUWHTM-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1ccc2c(c1)OC[C@H]2CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001593579883 1349860637 /nfs/dbraw/zinc/86/06/37/1349860637.db2.gz NUCKLBJNLVXANP-LLVKDONJSA-N -1 1 345.366 2.398 20 0 EEADMM c1ccc2c(c1)OC[C@H]2CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001593579883 1349860640 /nfs/dbraw/zinc/86/06/40/1349860640.db2.gz NUCKLBJNLVXANP-LLVKDONJSA-N -1 1 345.366 2.398 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(NCCCc2ccc3c(c2)OCCO3)c1 ZINC001593584790 1349865469 /nfs/dbraw/zinc/86/54/69/1349865469.db2.gz NZIKNSFVIFATLV-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(NCCCc2ccc3c(c2)OCCO3)c1 ZINC001593584790 1349865473 /nfs/dbraw/zinc/86/54/73/1349865473.db2.gz NZIKNSFVIFATLV-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1cncc(C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CCCC2)c1 ZINC001593587056 1349865819 /nfs/dbraw/zinc/86/58/19/1349865819.db2.gz ATEGOEAYPQQNOS-CQSZACIVSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CCCC2)c1 ZINC001593587056 1349865822 /nfs/dbraw/zinc/86/58/22/1349865822.db2.gz ATEGOEAYPQQNOS-CQSZACIVSA-N -1 1 336.403 2.265 20 0 EEADMM c1sc(CSCc2noc(C3CCC3)n2)nc1-c1nnn[n-]1 ZINC001593595614 1349870401 /nfs/dbraw/zinc/87/04/01/1349870401.db2.gz ZGOHUFWTRDECNX-UHFFFAOYSA-N -1 1 335.418 2.407 20 0 EEADMM c1sc(CSCc2noc(C3CCC3)n2)nc1-c1nn[n-]n1 ZINC001593595614 1349870402 /nfs/dbraw/zinc/87/04/02/1349870402.db2.gz ZGOHUFWTRDECNX-UHFFFAOYSA-N -1 1 335.418 2.407 20 0 EEADMM COc1cccc(C[C@@H](N)C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001599668655 1349948209 /nfs/dbraw/zinc/94/82/09/1349948209.db2.gz ISXDZIXWHHTLIF-MRXNPFEDSA-N -1 1 348.443 2.249 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)oc1C(=O)[O-] ZINC001600091016 1349969477 /nfs/dbraw/zinc/96/94/77/1349969477.db2.gz UEZCGPYZFFZBHP-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cc1cc(NC(=O)c2cccc3nc(CO)[nH]c32)nc(C)c1C(=O)[O-] ZINC001600276239 1350009214 /nfs/dbraw/zinc/00/92/14/1350009214.db2.gz IKXWHNLMAYOQHK-UHFFFAOYSA-N -1 1 340.339 2.018 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1C(=O)[O-] ZINC001600301682 1350015215 /nfs/dbraw/zinc/01/52/15/1350015215.db2.gz QIWHNBQFAAELHO-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM Cc1cc(CN[C@H]2CCN(c3ccc(C)cc3)C2=O)[nH]c1C(=O)[O-] ZINC001600435472 1350050843 /nfs/dbraw/zinc/05/08/43/1350050843.db2.gz WJFHSPMUHAAHRC-HNNXBMFYSA-N -1 1 327.384 2.225 20 0 EEADMM Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1 ZINC001600447687 1350054411 /nfs/dbraw/zinc/05/44/11/1350054411.db2.gz SDZAXUITVIMOSY-USXIJHARSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1cccc([C@@H](NCCC(=O)NCCC(=O)[O-])c2ccccn2)c1 ZINC001600520418 1350071448 /nfs/dbraw/zinc/07/14/48/1350071448.db2.gz XAUMXGUXFPXHRY-LJQANCHMSA-N -1 1 341.411 2.050 20 0 EEADMM Cc1cccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001600539553 1350076812 /nfs/dbraw/zinc/07/68/12/1350076812.db2.gz UBZPNIDLAXHLKG-SFHVURJKSA-N -1 1 327.384 2.308 20 0 EEADMM Cc1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2c1CCCC2 ZINC001600718923 1350120284 /nfs/dbraw/zinc/12/02/84/1350120284.db2.gz ZIOPAYNRKKJQFV-UHFFFAOYSA-N -1 1 347.396 2.163 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2cccc3ncccc32)cc1C(=O)[O-] ZINC001600747632 1350127173 /nfs/dbraw/zinc/12/71/73/1350127173.db2.gz UASVEVSGOWMKNG-UHFFFAOYSA-N -1 1 343.364 2.437 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)CCN1CC[C@@H](F)C1)C1CCCCCC1 ZINC001601274614 1350246353 /nfs/dbraw/zinc/24/63/53/1350246353.db2.gz IWMALCAXSAVYTN-CABCVRRESA-N -1 1 328.428 2.208 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC001601447970 1350285850 /nfs/dbraw/zinc/28/58/50/1350285850.db2.gz LZOKSPHBWOOTIJ-RWMBFGLXSA-N -1 1 331.416 2.152 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cc(-n4ccnc4)ccn3)[nH]c21 ZINC001601631926 1350324390 /nfs/dbraw/zinc/32/43/90/1350324390.db2.gz CWLHGDQHVOPGKP-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])C1(C2(O)CCN(CCSC(F)(F)F)CC2)CCC1 ZINC001601705195 1350343672 /nfs/dbraw/zinc/34/36/72/1350343672.db2.gz DIBHKSPVDMKGKK-UHFFFAOYSA-N -1 1 327.368 2.321 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nccn2CC(F)F)C1 ZINC001601727731 1350349555 /nfs/dbraw/zinc/34/95/55/1350349555.db2.gz CRQYAARZKXTCPF-QGZVFWFLSA-N -1 1 335.354 2.377 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCC(O)(c3c(F)cccc3F)CC2)C1(F)F ZINC001601749003 1350355555 /nfs/dbraw/zinc/35/55/55/1350355555.db2.gz JCWNFDFQAZZKJY-CABZTGNLSA-N -1 1 347.308 2.214 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1=CCCCC1 ZINC001601776396 1350362697 /nfs/dbraw/zinc/36/26/97/1350362697.db2.gz ABQLEGRCBWRIOD-VVLHAWIVSA-N -1 1 332.444 2.273 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC001601809830 1350369831 /nfs/dbraw/zinc/36/98/31/1350369831.db2.gz JGUBEOLXBHYJOA-OLZOCXBDSA-N -1 1 347.383 2.341 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1cnn(CC(F)(F)F)c1 ZINC001602095531 1350436770 /nfs/dbraw/zinc/43/67/70/1350436770.db2.gz YZQAHSQEDXSIGA-UHFFFAOYSA-N -1 1 343.305 2.199 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 ZINC001602196533 1350463425 /nfs/dbraw/zinc/46/34/25/1350463425.db2.gz DVKAAZQKNRIBSB-VFZGTOFNSA-N -1 1 342.330 2.195 20 0 EEADMM O=C([O-])c1cc(C2CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)no1 ZINC001602249420 1350476326 /nfs/dbraw/zinc/47/63/26/1350476326.db2.gz CAULZBOJUFQRQL-UHFFFAOYSA-N -1 1 340.286 2.053 20 0 EEADMM O=C([O-])c1cn(C2CCN(Cc3ccc(C(F)F)nc3)CC2)nn1 ZINC001602499393 1350533171 /nfs/dbraw/zinc/53/31/71/1350533171.db2.gz NAORVRYUUUILDK-UHFFFAOYSA-N -1 1 337.330 2.146 20 0 EEADMM O=C([O-])c1coc(CNC(=O)c2c(O)cc(Cl)cc2Cl)n1 ZINC001602554218 1350544991 /nfs/dbraw/zinc/54/49/91/1350544991.db2.gz BEZVFVLXPMPHJK-UHFFFAOYSA-N -1 1 331.111 2.315 20 0 EEADMM CC(C)(C)OC(=O)C1(NCc2ccc(-c3nnn[n-]3)o2)CCCC1 ZINC001603082148 1350635911 /nfs/dbraw/zinc/63/59/11/1350635911.db2.gz CNEJJDCVIOFNQJ-UHFFFAOYSA-N -1 1 333.392 2.204 20 0 EEADMM CC(C)(C)OC(=O)C1(NCc2ccc(-c3nn[n-]n3)o2)CCCC1 ZINC001603082148 1350635922 /nfs/dbraw/zinc/63/59/22/1350635922.db2.gz CNEJJDCVIOFNQJ-UHFFFAOYSA-N -1 1 333.392 2.204 20 0 EEADMM CC(=O)c1[nH]c(CC(=O)Nc2ccc3cncn3c2)c(C(=O)[O-])c1C ZINC001603093502 1350638876 /nfs/dbraw/zinc/63/88/76/1350638876.db2.gz CPQJALKOEIEOSG-UHFFFAOYSA-N -1 1 340.339 2.053 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001603101550 1350640463 /nfs/dbraw/zinc/64/04/63/1350640463.db2.gz WXAFUYOWKDOWIT-RYUDHWBXSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001603101550 1350640465 /nfs/dbraw/zinc/64/04/65/1350640465.db2.gz WXAFUYOWKDOWIT-RYUDHWBXSA-N -1 1 329.408 2.195 20 0 EEADMM CC(=O)c1ccc(NC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001603111363 1350643016 /nfs/dbraw/zinc/64/30/16/1350643016.db2.gz FIECQBAHUXCXRR-KRWDZBQOSA-N -1 1 332.400 2.451 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001603146853 1350649572 /nfs/dbraw/zinc/64/95/72/1350649572.db2.gz CEJQNDXIRCFSBQ-CYBMUJFWSA-N -1 1 347.394 2.331 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001603146853 1350649576 /nfs/dbraw/zinc/64/95/76/1350649576.db2.gz CEJQNDXIRCFSBQ-CYBMUJFWSA-N -1 1 347.394 2.331 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603179503 1350656383 /nfs/dbraw/zinc/65/63/83/1350656383.db2.gz OVBOVHJVFTYLMN-HWNAMQAFSA-N -1 1 342.317 2.295 20 0 EEADMM CC(C)[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCCO1 ZINC001603249132 1350671645 /nfs/dbraw/zinc/67/16/45/1350671645.db2.gz GFHRDACOVJMIBM-AWEZNQCLSA-N -1 1 339.403 2.061 20 0 EEADMM CC(C)[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCCO1 ZINC001603249132 1350671646 /nfs/dbraw/zinc/67/16/46/1350671646.db2.gz GFHRDACOVJMIBM-AWEZNQCLSA-N -1 1 339.403 2.061 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603251119 1350672735 /nfs/dbraw/zinc/67/27/35/1350672735.db2.gz BSJURUQLGFHMKN-GWCFXTLKSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(C(F)F)n[nH]2)n1 ZINC001603281153 1350679319 /nfs/dbraw/zinc/67/93/19/1350679319.db2.gz NYUJYTJAWPWZNU-UHFFFAOYSA-N -1 1 330.316 2.418 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603463165 1350709258 /nfs/dbraw/zinc/70/92/58/1350709258.db2.gz FRWZHXMYUCEEKG-GWCFXTLKSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603463165 1350709263 /nfs/dbraw/zinc/70/92/63/1350709263.db2.gz FRWZHXMYUCEEKG-GWCFXTLKSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603727609 1350751705 /nfs/dbraw/zinc/75/17/05/1350751705.db2.gz ZBHMUAODNDKNQN-LLVKDONJSA-N -1 1 340.362 2.163 20 0 EEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603727609 1350751707 /nfs/dbraw/zinc/75/17/07/1350751707.db2.gz ZBHMUAODNDKNQN-LLVKDONJSA-N -1 1 340.362 2.163 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891146 1350795168 /nfs/dbraw/zinc/79/51/68/1350795168.db2.gz PQSQEZREOHUVEC-RISCZKNCSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891146 1350795169 /nfs/dbraw/zinc/79/51/69/1350795169.db2.gz PQSQEZREOHUVEC-RISCZKNCSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ncc2C1 ZINC001603912295 1350800769 /nfs/dbraw/zinc/80/07/69/1350800769.db2.gz ADJRUDPPOUGZSF-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ncc2C1 ZINC001603912295 1350800771 /nfs/dbraw/zinc/80/07/71/1350800771.db2.gz ADJRUDPPOUGZSF-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM CC(C)OCCN1CCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CC1 ZINC001603923671 1350802652 /nfs/dbraw/zinc/80/26/52/1350802652.db2.gz NPIDWFRVTGIYEE-UHFFFAOYSA-N -1 1 337.464 2.379 20 0 EEADMM CC[C@@H](C)NC(=O)[C@@H](Sc1cccnc1-c1nnn[n-]1)C(C)C ZINC001604007902 1350828403 /nfs/dbraw/zinc/82/84/03/1350828403.db2.gz SLFUQNVHIQOEIY-MFKMUULPSA-N -1 1 334.449 2.293 20 0 EEADMM CC[C@@H](C)NC(=O)[C@@H](Sc1cccnc1-c1nn[n-]n1)C(C)C ZINC001604007902 1350828407 /nfs/dbraw/zinc/82/84/07/1350828407.db2.gz SLFUQNVHIQOEIY-MFKMUULPSA-N -1 1 334.449 2.293 20 0 EEADMM CCC(CC)(CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604020196 1350831338 /nfs/dbraw/zinc/83/13/38/1350831338.db2.gz STGYPNYSKPIHQZ-UHFFFAOYSA-N -1 1 330.314 2.244 20 0 EEADMM CCC(CC)(CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604020196 1350831342 /nfs/dbraw/zinc/83/13/42/1350831342.db2.gz STGYPNYSKPIHQZ-UHFFFAOYSA-N -1 1 330.314 2.244 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604074209 1350847606 /nfs/dbraw/zinc/84/76/06/1350847606.db2.gz JBXSTAPUAXZSFU-CYBMUJFWSA-N -1 1 326.360 2.468 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604074209 1350847610 /nfs/dbraw/zinc/84/76/10/1350847610.db2.gz JBXSTAPUAXZSFU-CYBMUJFWSA-N -1 1 326.360 2.468 20 0 EEADMM CC/C=C(\C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604117577 1350863670 /nfs/dbraw/zinc/86/36/70/1350863670.db2.gz UXPFVNVQHGBMAN-NKLKJHRZSA-N -1 1 347.448 2.001 20 0 EEADMM C[C@H](CNCc1ccc(-c2ccccc2C(=O)[O-])o1)S(C)(=O)=O ZINC001604186532 1350888434 /nfs/dbraw/zinc/88/84/34/1350888434.db2.gz YTHAVFMTECTTFC-LLVKDONJSA-N -1 1 337.397 2.168 20 0 EEADMM C[C@@H](NCCC(=O)NCCC(=O)[O-])c1csc(-c2ccccc2)n1 ZINC001604339005 1350918809 /nfs/dbraw/zinc/91/88/09/1350918809.db2.gz TXYMLLBTHYGWGP-GFCCVEGCSA-N -1 1 347.440 2.442 20 0 EEADMM CCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC001604358730 1350923079 /nfs/dbraw/zinc/92/30/79/1350923079.db2.gz LLIKCALPSLDQTN-UHFFFAOYSA-N -1 1 342.334 2.396 20 0 EEADMM C[C@H](O)CCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001604384508 1350927024 /nfs/dbraw/zinc/92/70/24/1350927024.db2.gz SRMZYVHJXKDBAG-BBRMVZONSA-N -1 1 340.851 2.244 20 0 EEADMM C[C@@H](O)CN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001604386904 1350927499 /nfs/dbraw/zinc/92/74/99/1350927499.db2.gz GDYWAVFAHLGTEW-QMTHXVAHSA-N -1 1 347.242 2.118 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1OC ZINC001604462526 1350942710 /nfs/dbraw/zinc/94/27/10/1350942710.db2.gz CTTDQFDBAFLNMZ-UHFFFAOYSA-N -1 1 329.316 2.119 20 0 EEADMM CC1(C)CN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCN1 ZINC001604540092 1350957953 /nfs/dbraw/zinc/95/79/53/1350957953.db2.gz JIULLSWUWJXVBP-UHFFFAOYSA-N -1 1 341.795 2.019 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001604563316 1350961623 /nfs/dbraw/zinc/96/16/23/1350961623.db2.gz OYHANUIIOAFRJW-JTQLQIEISA-N -1 1 343.366 2.238 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001604563316 1350961640 /nfs/dbraw/zinc/96/16/40/1350961640.db2.gz OYHANUIIOAFRJW-JTQLQIEISA-N -1 1 343.366 2.238 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1nnc(-c2ccccc2)s1 ZINC001604795750 1351006366 /nfs/dbraw/zinc/00/63/66/1351006366.db2.gz ZYHLUOLLKZFCHM-CYBMUJFWSA-N -1 1 346.456 2.186 20 0 EEADMM CN(OCc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604828451 1351016814 /nfs/dbraw/zinc/01/68/14/1351016814.db2.gz PCBROTNAEIGYLD-UHFFFAOYSA-N -1 1 344.400 2.201 20 0 EEADMM CN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1Cc2ccccc2C1 ZINC001604828302 1351017055 /nfs/dbraw/zinc/01/70/55/1351017055.db2.gz MRNBXSMIATVKMN-UHFFFAOYSA-N -1 1 333.399 2.138 20 0 EEADMM CN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1Cc2ccccc2C1 ZINC001604828302 1351017058 /nfs/dbraw/zinc/01/70/58/1351017058.db2.gz MRNBXSMIATVKMN-UHFFFAOYSA-N -1 1 333.399 2.138 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001604872021 1351023812 /nfs/dbraw/zinc/02/38/12/1351023812.db2.gz SZUJHDQQAIBLOS-IAGOWNOFSA-N -1 1 332.444 2.466 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCC2CCCCCC2)c1 ZINC001604964532 1351040316 /nfs/dbraw/zinc/04/03/16/1351040316.db2.gz SWOQJFCHROWNOG-UHFFFAOYSA-N -1 1 345.403 2.176 20 0 EEADMM COC(=O)c1cccc(F)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604985253 1351045743 /nfs/dbraw/zinc/04/57/43/1351045743.db2.gz NBQCXFRADSLADX-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1cccc(F)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604985253 1351045745 /nfs/dbraw/zinc/04/57/45/1351045745.db2.gz NBQCXFRADSLADX-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CO[C@@H](C)c1nc(CNc2snc(C)c2-c2nn[n-]n2)cs1 ZINC001605005915 1351051013 /nfs/dbraw/zinc/05/10/13/1351051013.db2.gz SZOCDLCXPPFRSL-ZETCQYMHSA-N -1 1 337.434 2.408 20 0 EEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605268360 1351120928 /nfs/dbraw/zinc/12/09/28/1351120928.db2.gz SZLZZGHNNURJMI-ZDUSSCGKSA-N -1 1 339.355 2.446 20 0 EEADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605268360 1351120934 /nfs/dbraw/zinc/12/09/34/1351120934.db2.gz SZLZZGHNNURJMI-ZDUSSCGKSA-N -1 1 339.355 2.446 20 0 EEADMM COc1cccc(SCCn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC001605323832 1351136791 /nfs/dbraw/zinc/13/67/91/1351136791.db2.gz XKJAPIHYXMUXMY-UHFFFAOYSA-N -1 1 343.412 2.138 20 0 EEADMM COc1ccccc1OC[C@H](C)CNc1cccnc1-c1nnn[n-]1 ZINC001605334907 1351139091 /nfs/dbraw/zinc/13/90/91/1351139091.db2.gz AJOMAZLGHNEMCI-GFCCVEGCSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ccccc1OC[C@H](C)CNc1cccnc1-c1nn[n-]n1 ZINC001605334907 1351139094 /nfs/dbraw/zinc/13/90/94/1351139094.db2.gz AJOMAZLGHNEMCI-GFCCVEGCSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ccccc1OCCNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001605335289 1351139237 /nfs/dbraw/zinc/13/92/37/1351139237.db2.gz QPDVCKBVRTXJBJ-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccccc1OCCNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001605335289 1351139241 /nfs/dbraw/zinc/13/92/41/1351139241.db2.gz QPDVCKBVRTXJBJ-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605369668 1351146024 /nfs/dbraw/zinc/14/60/24/1351146024.db2.gz BLHMPUWVGHMVGC-VHSXEESVSA-N -1 1 335.408 2.362 20 0 EEADMM CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605369668 1351146025 /nfs/dbraw/zinc/14/60/25/1351146025.db2.gz BLHMPUWVGHMVGC-VHSXEESVSA-N -1 1 335.408 2.362 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3ccccc3s2)nn1C ZINC001605464892 1351163215 /nfs/dbraw/zinc/16/32/15/1351163215.db2.gz CGDYTCMWDSYZJT-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3ccccc3s2)nn1C ZINC001605464892 1351163217 /nfs/dbraw/zinc/16/32/17/1351163217.db2.gz CGDYTCMWDSYZJT-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCCOc2ccc(C)c(C)c2)c1 ZINC001605510436 1351174845 /nfs/dbraw/zinc/17/48/45/1351174845.db2.gz AYPMBVYYZDXATK-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM Cc1cc(C)cc(NC(=O)COc2ccc(F)nc2-c2nn[n-]n2)c1 ZINC001605647647 1351209705 /nfs/dbraw/zinc/20/97/05/1351209705.db2.gz XOQVOQUHQIXFDB-UHFFFAOYSA-N -1 1 342.334 2.035 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001605669118 1351213924 /nfs/dbraw/zinc/21/39/24/1351213924.db2.gz UHYUFUCRQFETET-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001605669118 1351213927 /nfs/dbraw/zinc/21/39/27/1351213927.db2.gz UHYUFUCRQFETET-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001605683221 1351215056 /nfs/dbraw/zinc/21/50/56/1351215056.db2.gz WUINNTIHLUWCBK-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001605683221 1351215061 /nfs/dbraw/zinc/21/50/61/1351215061.db2.gz WUINNTIHLUWCBK-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(F)(F)F ZINC001605761937 1351221697 /nfs/dbraw/zinc/22/16/97/1351221697.db2.gz VNNWTBBHGSDIFI-VIFPVBQESA-N -1 1 343.298 2.452 20 0 EEADMM CCc1nnc([C@@H](C)OC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[nH]1 ZINC001605842343 1351234057 /nfs/dbraw/zinc/23/40/57/1351234057.db2.gz IAQNVYWULFHEEM-SECBINFHSA-N -1 1 342.355 2.394 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCc2ccc(C)cc2C)nn1C ZINC001605843819 1351234506 /nfs/dbraw/zinc/23/45/06/1351234506.db2.gz NQIDUYYGARJPPD-UHFFFAOYSA-N -1 1 339.403 2.097 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2ccc(C)cc2C)nn1C ZINC001605843819 1351234508 /nfs/dbraw/zinc/23/45/08/1351234508.db2.gz NQIDUYYGARJPPD-UHFFFAOYSA-N -1 1 339.403 2.097 20 0 EEADMM Cc1ccc(COCC(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605858810 1351239232 /nfs/dbraw/zinc/23/92/32/1351239232.db2.gz ILFCDLYMVNCWEC-UHFFFAOYSA-N -1 1 328.328 2.028 20 0 EEADMM Cc1ccc(COCC(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605858810 1351239237 /nfs/dbraw/zinc/23/92/37/1351239237.db2.gz ILFCDLYMVNCWEC-UHFFFAOYSA-N -1 1 328.328 2.028 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(F)ccc2C)c1-c1nnn[n-]1 ZINC001605864279 1351240457 /nfs/dbraw/zinc/24/04/57/1351240457.db2.gz WZJIXSQVIZHFIM-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(F)ccc2C)c1-c1nn[n-]n1 ZINC001605864279 1351240458 /nfs/dbraw/zinc/24/04/58/1351240458.db2.gz WZJIXSQVIZHFIM-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1ccc2cc(OC(=O)[C@H](C)n3cnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001605890185 1351247717 /nfs/dbraw/zinc/24/77/17/1351247717.db2.gz ZEAKHCZDCHSKKZ-NSHDSACASA-N -1 1 349.354 2.086 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3cc[nH]c3n2)no1 ZINC001606165349 1351279991 /nfs/dbraw/zinc/27/99/91/1351279991.db2.gz SWJMDLILLAKYFC-UHFFFAOYSA-N -1 1 334.299 2.361 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3cc[nH]c3n2)no1 ZINC001606165349 1351279995 /nfs/dbraw/zinc/27/99/95/1351279995.db2.gz SWJMDLILLAKYFC-UHFFFAOYSA-N -1 1 334.299 2.361 20 0 EEADMM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001606263292 1351288052 /nfs/dbraw/zinc/28/80/52/1351288052.db2.gz JKKJURDZJIKDFT-CQSZACIVSA-N -1 1 348.296 2.024 20 0 EEADMM COC(=O)c1cccc([C@H](C(=O)[O-])N2C[C@H](C)OC3(CCC3)C2)c1 ZINC001606612720 1351331837 /nfs/dbraw/zinc/33/18/37/1351331837.db2.gz KKEYEDKIBXTUKC-SWLSCSKDSA-N -1 1 333.384 2.242 20 0 EEADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606723970 1351347072 /nfs/dbraw/zinc/34/70/72/1351347072.db2.gz VBVCPXNWBKYSHT-ZETCQYMHSA-N -1 1 342.737 2.080 20 0 EEADMM O=C(NCC[C@@H]1CC1(Cl)Cl)c1ccsc1-c1nnn[n-]1 ZINC001606762038 1351353362 /nfs/dbraw/zinc/35/33/62/1351353362.db2.gz SLYPJUQULNQPPM-ZCFIWIBFSA-N -1 1 332.216 2.242 20 0 EEADMM O=C(NCC[C@@H]1CC1(Cl)Cl)c1ccsc1-c1nn[n-]n1 ZINC001606762038 1351353363 /nfs/dbraw/zinc/35/33/63/1351353363.db2.gz SLYPJUQULNQPPM-ZCFIWIBFSA-N -1 1 332.216 2.242 20 0 EEADMM O=C(Nc1cccc2nonc21)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606938089 1351379648 /nfs/dbraw/zinc/37/96/48/1351379648.db2.gz HHOMGVLEVGWMGF-UHFFFAOYSA-N -1 1 346.310 2.137 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccoc1C(F)(F)F ZINC001606981812 1351391833 /nfs/dbraw/zinc/39/18/33/1351391833.db2.gz GMPAYPPSWHQNCU-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccoc1C(F)(F)F ZINC001606981812 1351391834 /nfs/dbraw/zinc/39/18/34/1351391834.db2.gz GMPAYPPSWHQNCU-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606990826 1351394387 /nfs/dbraw/zinc/39/43/87/1351394387.db2.gz UEKDTRRFQDIRJZ-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606990826 1351394388 /nfs/dbraw/zinc/39/43/88/1351394388.db2.gz UEKDTRRFQDIRJZ-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2ccccc2F)C1 ZINC001607021900 1351399864 /nfs/dbraw/zinc/39/98/64/1351399864.db2.gz HHBAUETVAUWQKK-LLVKDONJSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2ccccc2F)C1 ZINC001607021900 1351399867 /nfs/dbraw/zinc/39/98/67/1351399867.db2.gz HHBAUETVAUWQKK-LLVKDONJSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001607026460 1351400220 /nfs/dbraw/zinc/40/02/20/1351400220.db2.gz BXFBVMZEWMZJDY-GFCCVEGCSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](Oc2ccccc2)C1 ZINC001607026460 1351400222 /nfs/dbraw/zinc/40/02/22/1351400222.db2.gz BXFBVMZEWMZJDY-GFCCVEGCSA-N -1 1 341.396 2.222 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]2CCCC[C@@H]12 ZINC001607099207 1351417052 /nfs/dbraw/zinc/41/70/52/1351417052.db2.gz FOHFOUANJZITDJ-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]2CCCC[C@@H]12 ZINC001607099207 1351417053 /nfs/dbraw/zinc/41/70/53/1351417053.db2.gz FOHFOUANJZITDJ-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc3nc[nH]c32)c1O ZINC001607103333 1351419738 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CCN(CCNC(=O)C1CCC2(CC2)CC1)C(=O)c1ncccc1[O-] ZINC001387255752 1386598539 /nfs/dbraw/zinc/59/85/39/1386598539.db2.gz ZXOAYTOEHCMSIS-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(CCC1CCCCC1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387822511 1387022028 /nfs/dbraw/zinc/02/20/28/1387022028.db2.gz DKVRHKCSTPCPNQ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)C(C)(C)C1CCCC1 ZINC001391247665 1389165733 /nfs/dbraw/zinc/16/57/33/1389165733.db2.gz PYDPTTJSXKFTAS-ZDUSSCGKSA-N -1 1 347.459 2.486 20 0 EEADMM CCC[C@H](CC)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001391868403 1389673469 /nfs/dbraw/zinc/67/34/69/1389673469.db2.gz JZMOMTOFJIUNML-AWEZNQCLSA-N -1 1 349.479 2.151 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001391910612 1389704686 /nfs/dbraw/zinc/70/46/86/1389704686.db2.gz BFXGQQZZHAFIBX-UONOGXRCSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)C1CCCCC1 ZINC001398275455 1392125812 /nfs/dbraw/zinc/12/58/12/1392125812.db2.gz IIHBTPXEYCHZRN-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@H](C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001399473304 1395135174 /nfs/dbraw/zinc/13/51/74/1395135174.db2.gz MAAGBJYWITZJBG-UKRRQHHQSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(CCCC1CCCC1)NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400196890 1396040107 /nfs/dbraw/zinc/04/01/07/1396040107.db2.gz IXPUVBJPHGVORU-HNNXBMFYSA-N -1 1 349.479 2.199 20 0 EEADMM CC1(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC001400279069 1396132426 /nfs/dbraw/zinc/13/24/26/1396132426.db2.gz NLLIMUBYRBWWON-CQSZACIVSA-N -1 1 344.459 2.330 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cccc(C(C)=O)c1)c1nn[n-]n1 ZINC001424962280 1401338441 /nfs/dbraw/zinc/33/84/41/1401338441.db2.gz IUAPKAQCKNURGX-LBPRGKRZSA-N -1 1 334.405 2.018 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCC1(C)C ZINC001425040502 1401405405 /nfs/dbraw/zinc/40/54/05/1401405405.db2.gz RDCMYJZXHRLPFS-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CN1C(=O)c1ncccc1[O-] ZINC001425595920 1401653105 /nfs/dbraw/zinc/65/31/05/1401653105.db2.gz FUGKFCVHMIDJMK-GXTWGEPZSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425709754 1401752272 /nfs/dbraw/zinc/75/22/72/1401752272.db2.gz IMDIEHALGGRXLV-KGLIPLIRSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001428124972 1402632501 /nfs/dbraw/zinc/63/25/01/1402632501.db2.gz WVRBBJNJIZZIST-UONOGXRCSA-N -1 1 333.432 2.333 20 0 EEADMM CC[C@@H](CNC(=O)C1CCCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576789084 1403603551 /nfs/dbraw/zinc/60/35/51/1403603551.db2.gz FPMKBTHGKBNUKS-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CCc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c(C(=O)OC)c1 ZINC001578526231 1403767921 /nfs/dbraw/zinc/76/79/21/1403767921.db2.gz HCCLJXWEBJXSNO-UHFFFAOYSA-N -1 1 341.327 2.061 20 0 EEADMM CCc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c(C(=O)OC)c1 ZINC001578526231 1403767929 /nfs/dbraw/zinc/76/79/29/1403767929.db2.gz HCCLJXWEBJXSNO-UHFFFAOYSA-N -1 1 341.327 2.061 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001580048851 1403814757 /nfs/dbraw/zinc/81/47/57/1403814757.db2.gz AJOIDXDBQIKHPN-QWHCGFSZSA-N -1 1 336.355 2.013 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001580048851 1403814775 /nfs/dbraw/zinc/81/47/75/1403814775.db2.gz AJOIDXDBQIKHPN-QWHCGFSZSA-N -1 1 336.355 2.013 20 0 EEADMM COc1ncc(NC(=O)[C@H](C)c2ccsc2)cc1-c1nn[n-]n1 ZINC001580130171 1403831829 /nfs/dbraw/zinc/83/18/29/1403831829.db2.gz JXCUOYVEVWOAFF-MRVPVSSYSA-N -1 1 330.373 2.074 20 0 EEADMM COc1ncc(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001580136667 1403834219 /nfs/dbraw/zinc/83/42/19/1403834219.db2.gz RKLWCHWKZRHJOT-IWIIMEHWSA-N -1 1 345.407 2.217 20 0 EEADMM CCOC(=O)[C@H](CC)N(Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001590752211 1403895947 /nfs/dbraw/zinc/89/59/47/1403895947.db2.gz MBTHJYSWFUDIGP-LBPRGKRZSA-N -1 1 335.433 2.234 20 0 EEADMM C[C@]12CN(C(=O)c3ccsc3-c3nnn[n-]3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591778663 1403946349 /nfs/dbraw/zinc/94/63/49/1403946349.db2.gz NGNOUUJWQIGGCL-AXPHHGHSSA-N -1 1 329.429 2.436 20 0 EEADMM C[C@]12CN(C(=O)c3ccsc3-c3nn[n-]n3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591778663 1403946353 /nfs/dbraw/zinc/94/63/53/1403946353.db2.gz NGNOUUJWQIGGCL-AXPHHGHSSA-N -1 1 329.429 2.436 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001591789029 1403951690 /nfs/dbraw/zinc/95/16/90/1403951690.db2.gz IQANBDQZXYHWEW-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001591789029 1403951697 /nfs/dbraw/zinc/95/16/97/1403951697.db2.gz IQANBDQZXYHWEW-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)c2ccc(F)cc2F)n1 ZINC001591894489 1403970476 /nfs/dbraw/zinc/97/04/76/1403970476.db2.gz IEQVMNSOEWFIRD-QMMMGPOBSA-N -1 1 331.330 2.459 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)c2ccc(F)cc2F)n1 ZINC001591894489 1403970480 /nfs/dbraw/zinc/97/04/80/1403970480.db2.gz IEQVMNSOEWFIRD-QMMMGPOBSA-N -1 1 331.330 2.459 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001591896375 1403970741 /nfs/dbraw/zinc/97/07/41/1403970741.db2.gz FFBWRNSFBFLKOB-WCQYABFASA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001591896375 1403970750 /nfs/dbraw/zinc/97/07/50/1403970750.db2.gz FFBWRNSFBFLKOB-WCQYABFASA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C3CCOCC3)C2)c1 ZINC001591889659 1403970855 /nfs/dbraw/zinc/97/08/55/1403970855.db2.gz XVTRIKBFMQGOCE-AWEZNQCLSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C3CCOCC3)C2)c1 ZINC001591889659 1403970874 /nfs/dbraw/zinc/97/08/74/1403970874.db2.gz XVTRIKBFMQGOCE-AWEZNQCLSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001592134662 1404003216 /nfs/dbraw/zinc/00/32/16/1404003216.db2.gz JKOHTVSSBGPKAN-MRVPVSSYSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001592134662 1404003222 /nfs/dbraw/zinc/00/32/22/1404003222.db2.gz JKOHTVSSBGPKAN-MRVPVSSYSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C2CC2)n1 ZINC001592133248 1404003243 /nfs/dbraw/zinc/00/32/43/1404003243.db2.gz ZIBODNJLKYITJP-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C2CC2)n1 ZINC001592133248 1404003255 /nfs/dbraw/zinc/00/32/55/1404003255.db2.gz ZIBODNJLKYITJP-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM Cc1nccc2c(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)cccc12 ZINC001592416337 1404029185 /nfs/dbraw/zinc/02/91/85/1404029185.db2.gz OWSDMYKKZAAQSI-UHFFFAOYSA-N -1 1 345.366 2.300 20 0 EEADMM Cc1nccc2c(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)cccc12 ZINC001592416337 1404029192 /nfs/dbraw/zinc/02/91/92/1404029192.db2.gz OWSDMYKKZAAQSI-UHFFFAOYSA-N -1 1 345.366 2.300 20 0 EEADMM Cc1nsc(NC(=O)C2(c3ccc(F)cc3)CC2)c1-c1nnn[n-]1 ZINC001592480180 1404697150 /nfs/dbraw/zinc/69/71/50/1404697150.db2.gz VITJKKBESPKVPJ-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1nsc(NC(=O)C2(c3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC001592480180 1404697161 /nfs/dbraw/zinc/69/71/61/1404697161.db2.gz VITJKKBESPKVPJ-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2c(Cl)cccc21 ZINC001592498942 1404703963 /nfs/dbraw/zinc/70/39/63/1404703963.db2.gz DZJUKGKMGDQSGV-UHFFFAOYSA-N -1 1 345.746 2.461 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2c(Cl)cccc21 ZINC001592498942 1404703967 /nfs/dbraw/zinc/70/39/67/1404703967.db2.gz DZJUKGKMGDQSGV-UHFFFAOYSA-N -1 1 345.746 2.461 20 0 EEADMM O=C(/C=C\SCc1ccco1)OCc1cccnc1-c1nnn[n-]1 ZINC001592793635 1404723652 /nfs/dbraw/zinc/72/36/52/1404723652.db2.gz FQBSSMVXGKVFSM-YVMONPNESA-N -1 1 343.368 2.345 20 0 EEADMM O=C(/C=C\SCc1ccco1)OCc1cccnc1-c1nn[n-]n1 ZINC001592793635 1404723657 /nfs/dbraw/zinc/72/36/57/1404723657.db2.gz FQBSSMVXGKVFSM-YVMONPNESA-N -1 1 343.368 2.345 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccnc(C3CC3)c2)c1-c1nnn[n-]1 ZINC001606141109 1404766434 /nfs/dbraw/zinc/76/64/34/1404766434.db2.gz JOPQEZUKNXZVRD-UHFFFAOYSA-N -1 1 341.400 2.181 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccnc(C3CC3)c2)c1-c1nn[n-]n1 ZINC001606141109 1404766438 /nfs/dbraw/zinc/76/64/38/1404766438.db2.gz JOPQEZUKNXZVRD-UHFFFAOYSA-N -1 1 341.400 2.181 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC001606166064 1404771346 /nfs/dbraw/zinc/77/13/46/1404771346.db2.gz NEVIDGJYADKOPL-GFCCVEGCSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](c2ccccn2)C1 ZINC001606166064 1404771350 /nfs/dbraw/zinc/77/13/50/1404771350.db2.gz NEVIDGJYADKOPL-GFCCVEGCSA-N -1 1 338.371 2.183 20 0 EEADMM Fc1ccc(CN(CC2CC2)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001606319353 1404791428 /nfs/dbraw/zinc/79/14/28/1404791428.db2.gz WBXNRLJMKRRHIW-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM Fc1ccc(CN(CC2CC2)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001606319353 1404791435 /nfs/dbraw/zinc/79/14/35/1404791435.db2.gz WBXNRLJMKRRHIW-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)/C=C/C(C)(C)C ZINC001757280867 1409615772 /nfs/dbraw/zinc/61/57/72/1409615772.db2.gz UMIKLUVCFJDKRH-XOVSCCBYSA-N -1 1 331.416 2.062 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CC2)[C@@H]1CCCNC(=O)c1ncccc1[O-] ZINC001757416261 1409703036 /nfs/dbraw/zinc/70/30/36/1409703036.db2.gz PAYOECNYAYHUDC-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC001771645900 1409900273 /nfs/dbraw/zinc/90/02/73/1409900273.db2.gz CPMPVABKVMQLDM-NSHDSACASA-N -1 1 335.372 2.211 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCN(C)c3ccccc32)n1 ZINC000846651530 790311415 /nfs/dbraw/zinc/31/14/15/790311415.db2.gz VMETZNVUGPPYDZ-GFCCVEGCSA-N -1 1 328.372 2.149 20 0 EEADMM C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001210678677 758092221 /nfs/dbraw/zinc/09/22/21/758092221.db2.gz VGVMFVHTONBMHP-QWHCGFSZSA-N -1 1 337.468 2.053 20 0 EEADMM Cc1nc(CNC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])co1 ZINC001087154731 759691425 /nfs/dbraw/zinc/69/14/25/759691425.db2.gz HQCRVBSHZITDQI-DOMZBBRYSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1n[nH]c(C(=O)NCCNCc2c(Cl)oc3ccccc32)c1[O-] ZINC001125734141 761197169 /nfs/dbraw/zinc/19/71/69/761197169.db2.gz HJOABBZASFAFMA-UHFFFAOYSA-N -1 1 348.790 2.343 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCCC1)c1ccsc1 ZINC000780386037 761563841 /nfs/dbraw/zinc/56/38/41/761563841.db2.gz TVZKRVARHUSLQV-ZDUSSCGKSA-N -1 1 339.461 2.438 20 0 EEADMM CCc1nsc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935734 765606818 /nfs/dbraw/zinc/60/68/18/765606818.db2.gz WBSADNIPTYYTPC-LLVKDONJSA-N -1 1 349.460 2.458 20 0 EEADMM CCc1cc(N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)nc(C)n1 ZINC001105175146 769248068 /nfs/dbraw/zinc/24/80/68/769248068.db2.gz WLJQKVKLTQYUBU-AWEZNQCLSA-N -1 1 343.431 2.315 20 0 EEADMM O=C(Cc1ccncc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000781925102 769604233 /nfs/dbraw/zinc/60/42/33/769604233.db2.gz CZHXJRPQSKKCDD-UHFFFAOYSA-N -1 1 345.830 2.328 20 0 EEADMM O=C(NN=Cc1cc([O-])ccc1[N+](=O)[O-])c1cc(Cl)ccc1O ZINC000254836548 770385785 /nfs/dbraw/zinc/38/57/85/770385785.db2.gz QELXRXRMPYXHRI-UHFFFAOYSA-N -1 1 335.703 2.423 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2ccccc2Cl)c1[O-] ZINC001027832280 770972444 /nfs/dbraw/zinc/97/24/44/770972444.db2.gz CBMQGSHZPSCRDG-CYBMUJFWSA-N -1 1 348.834 2.472 20 0 EEADMM CCN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942667903 782974684 /nfs/dbraw/zinc/97/46/84/782974684.db2.gz IHYPSKFTOGFKBA-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000942754928 783137579 /nfs/dbraw/zinc/13/75/79/783137579.db2.gz SXHMJIUDLVGCLQ-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(NC[C@@H]1CCC[N@@H+]1C/C=C\Cl)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027956087 775015326 /nfs/dbraw/zinc/01/53/26/775015326.db2.gz OACFDFKQTHJBGW-DWMUBGRBSA-N -1 1 336.823 2.006 20 0 EEADMM CCOC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCC3)n[nH]1 ZINC000180922178 775164868 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ZINC000998997044 793650307 /nfs/dbraw/zinc/65/03/07/793650307.db2.gz SSODMAAJRPGXCJ-STQMWFEESA-N -1 1 330.388 2.039 20 0 EEADMM Cc1cc(C)nc(N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272471 793925412 /nfs/dbraw/zinc/92/54/12/793925412.db2.gz PNSPAMVBRVMYIC-GHMZBOCLSA-N -1 1 329.404 2.203 20 0 EEADMM Cc1cnc([C@@H](C)[N@H+]2C[C@@H](CNC(=O)c3ncccc3O)[C@H](C)C2)o1 ZINC001092562721 794095552 /nfs/dbraw/zinc/09/55/52/794095552.db2.gz VNVKSRAGVQFLSA-MRVWCRGKSA-N -1 1 344.415 2.143 20 0 EEADMM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743883 794206804 /nfs/dbraw/zinc/20/68/04/794206804.db2.gz PMMIAOQMOBAYSU-LLVKDONJSA-N -1 1 333.823 2.438 20 0 EEADMM CCOCc1ccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)cc1 ZINC001116658067 795678883 /nfs/dbraw/zinc/67/88/83/795678883.db2.gz HLYZXRMFFROVHA-UHFFFAOYSA-N -1 1 346.412 2.306 20 0 EEADMM CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080281557 795822775 /nfs/dbraw/zinc/82/27/75/795822775.db2.gz DIWUVZJWTOSXHY-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001060956491 796032082 /nfs/dbraw/zinc/03/20/82/796032082.db2.gz RKDKUYLEKUFZNS-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(N)c2)c1 ZINC001174194849 797712035 /nfs/dbraw/zinc/71/20/35/797712035.db2.gz MUCOMAQHODVFMY-UHFFFAOYSA-N -1 1 347.440 2.455 20 0 EEADMM C/C(=C/C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001002217441 797734492 /nfs/dbraw/zinc/73/44/92/797734492.db2.gz AYYCKSCBDJHQJO-BMOGTNHUSA-N -1 1 343.427 2.207 20 0 EEADMM [O-]c1cc(Nc2cnn(CCN3CCOCC3)c2)c(F)cc1Cl ZINC001174492053 797768721 /nfs/dbraw/zinc/76/87/21/797768721.db2.gz JCMCDKVLCAIQLO-UHFFFAOYSA-N -1 1 340.786 2.457 20 0 EEADMM Cc1ccoc1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001002411976 798030902 /nfs/dbraw/zinc/03/09/02/798030902.db2.gz NYZASIWKTZGWHH-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])o1 ZINC001002409743 798043180 /nfs/dbraw/zinc/04/31/80/798043180.db2.gz DPTFCLWJWQAMJD-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000780692978 798088878 /nfs/dbraw/zinc/08/88/78/798088878.db2.gz XJFPALYJHCIKRT-BBRMVZONSA-N -1 1 348.447 2.015 20 0 EEADMM CSc1nc(NC(=O)[C@@H]2CCCN2Cc2ccco2)cc(=O)[n-]1 ZINC001177616279 799048588 /nfs/dbraw/zinc/04/85/88/799048588.db2.gz NDCAGIFYQLNPSY-NSHDSACASA-N -1 1 334.401 2.100 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065851810 799606939 /nfs/dbraw/zinc/60/69/39/799606939.db2.gz CGEOGJDVUHPRLJ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)(C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)N1CCCCC1 ZINC000827635409 800495113 /nfs/dbraw/zinc/49/51/13/800495113.db2.gz CCQPXDZSWHKKSU-UHFFFAOYSA-N -1 1 330.388 2.233 20 0 EEADMM C[C@H](SCc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000827916230 800534587 /nfs/dbraw/zinc/53/45/87/800534587.db2.gz NESZIVZNGTWRLP-LBPRGKRZSA-N -1 1 331.445 2.228 20 0 EEADMM CC(C)[C@@H](C)C(=O)Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12 ZINC001181495384 800805991 /nfs/dbraw/zinc/80/59/91/800805991.db2.gz WJCYUCHOWBVSFR-SECBINFHSA-N -1 1 327.344 2.204 20 0 EEADMM Cc1c(F)cccc1CC(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001181700118 800887662 /nfs/dbraw/zinc/88/76/62/800887662.db2.gz ZVGZHJUJNRFJLA-UHFFFAOYSA-N -1 1 333.323 2.275 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC001033026349 800943136 /nfs/dbraw/zinc/94/31/36/800943136.db2.gz WDWMPJXMJJSRAT-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM CC(C)c1ocnc1CN1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001033036349 801029322 /nfs/dbraw/zinc/02/93/22/801029322.db2.gz PIONLXFDFMSXLQ-CYBMUJFWSA-N -1 1 344.415 2.245 20 0 EEADMM C[C@H](CCCCNc1nccnc1F)NC(=O)c1ncccc1[O-] ZINC001090079818 801243417 /nfs/dbraw/zinc/24/34/17/801243417.db2.gz NGYPTSQJGSSDCI-LLVKDONJSA-N -1 1 333.367 2.117 20 0 EEADMM CC(C)C1OCC(C(=O)Nc2nc(Br)ccc2[O-])CO1 ZINC001183174362 801497154 /nfs/dbraw/zinc/49/71/54/801497154.db2.gz 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ZINC001004823188 803008700 /nfs/dbraw/zinc/00/87/00/803008700.db2.gz LTZPQMGLHZLVNA-DZGCQCFKSA-N -1 1 347.463 2.260 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccnc(C(C)(C)C)n1 ZINC001112982704 807785890 /nfs/dbraw/zinc/78/58/90/807785890.db2.gz ASUUKWYSSUYCSY-RYUDHWBXSA-N -1 1 343.431 2.494 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1 ZINC000790347541 808609375 /nfs/dbraw/zinc/60/93/75/808609375.db2.gz AJCHZCSNQZUEMO-UHFFFAOYSA-N -1 1 344.392 2.427 20 0 EEADMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000790646185 808863261 /nfs/dbraw/zinc/86/32/61/808863261.db2.gz KIMLAWYBILWSAO-UHFFFAOYSA-N -1 1 325.781 2.059 20 0 EEADMM CC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCOC1 ZINC000790931665 808983100 /nfs/dbraw/zinc/98/31/00/808983100.db2.gz MZDKATBYLMIFIC-LLVKDONJSA-N -1 1 325.217 2.236 20 0 EEADMM Cc1nc(-c2ccccc2)ncc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791285161 809172810 /nfs/dbraw/zinc/17/28/10/809172810.db2.gz FMAINDANWAQADW-UHFFFAOYSA-N -1 1 344.378 2.360 20 0 EEADMM Cc1csc2c1nc(Cl)nc2Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170213914 809816884 /nfs/dbraw/zinc/81/68/84/809816884.db2.gz ROBRTMYNLDPXIH-UHFFFAOYSA-N -1 1 349.763 2.426 20 0 EEADMM CC(C)(C)NC(=O)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170227828 809845545 /nfs/dbraw/zinc/84/55/45/809845545.db2.gz VVHCNLCDCCPIFR-UHFFFAOYSA-N -1 1 326.360 2.330 20 0 EEADMM COc1ccc(N[C@H](C)c2cc(C)nn2C)cc1[N-]S(C)(=O)=O ZINC000793540650 810397237 /nfs/dbraw/zinc/39/72/37/810397237.db2.gz APPJPDYLKRCKIV-LLVKDONJSA-N -1 1 338.433 2.282 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(C)c(-n4cccc4)c3)nc2n1 ZINC001129521062 810889133 /nfs/dbraw/zinc/88/91/33/810889133.db2.gz WJBYBNGAPVEWMP-UHFFFAOYSA-N -1 1 348.366 2.077 20 0 EEADMM C[C@H](OC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nncn1C ZINC000805556351 811347360 /nfs/dbraw/zinc/34/73/60/811347360.db2.gz ZQAZKDOUHYDZRZ-VIFPVBQESA-N -1 1 347.762 2.278 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)ccnc1-2 ZINC000806482457 811891566 /nfs/dbraw/zinc/89/15/66/811891566.db2.gz PYQBHFKOMMCELD-IUODEOHRSA-N -1 1 325.347 2.159 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](C[C@@H]4CCOC4)C3)ccnc1-2 ZINC000806483513 811894338 /nfs/dbraw/zinc/89/43/38/811894338.db2.gz HQNOTMSXCFFIFA-KBPBESRZSA-N -1 1 343.431 2.012 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000807094837 812094616 /nfs/dbraw/zinc/09/46/16/812094616.db2.gz CLPMAXGDFPDFNM-MEDUHNTESA-N -1 1 331.343 2.342 20 0 EEADMM COCc1cccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c1 ZINC000808127570 812447363 /nfs/dbraw/zinc/44/73/63/812447363.db2.gz KGBYHNZLBVFDNN-UHFFFAOYSA-N -1 1 333.365 2.304 20 0 EEADMM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000809065135 812954595 /nfs/dbraw/zinc/95/45/95/812954595.db2.gz WANJUZSFXSUCLH-UHFFFAOYSA-N -1 1 329.381 2.131 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ncccc32)cn1 ZINC000322509621 970895865 /nfs/dbraw/zinc/89/58/65/970895865.db2.gz FFAIDUVDVAWZSX-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1 ZINC000322954140 970950057 /nfs/dbraw/zinc/95/00/57/970950057.db2.gz LTJLUBQWLHBKCF-UHFFFAOYSA-N -1 1 337.353 2.203 20 0 EEADMM O=C([O-])[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000324427070 971119372 /nfs/dbraw/zinc/11/93/72/971119372.db2.gz OZSJKFUNWFHRFB-QGZVFWFLSA-N -1 1 325.320 2.414 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cnc(C3CC3)[nH]2)C[C@H]1c1ccccc1 ZINC001602185558 971170174 /nfs/dbraw/zinc/17/01/74/971170174.db2.gz OTRSSWXSDVMKRW-UONOGXRCSA-N -1 1 325.368 2.228 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001573361560 947692631 /nfs/dbraw/zinc/69/26/31/947692631.db2.gz BOEMNNSMDCSPPS-JXMROGBWSA-N -1 1 326.385 2.043 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001573361560 947692643 /nfs/dbraw/zinc/69/26/43/947692643.db2.gz BOEMNNSMDCSPPS-JXMROGBWSA-N -1 1 326.385 2.043 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(C)s1 ZINC000826261369 947754128 /nfs/dbraw/zinc/75/41/28/947754128.db2.gz BXJTUINUAPMZCS-MRVPVSSYSA-N -1 1 346.416 2.261 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(C)s1 ZINC000826261369 947754136 /nfs/dbraw/zinc/75/41/36/947754136.db2.gz BXJTUINUAPMZCS-MRVPVSSYSA-N -1 1 346.416 2.261 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348579 948077847 /nfs/dbraw/zinc/07/78/47/948077847.db2.gz TZKKGGTTWIZFDF-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348579 948077855 /nfs/dbraw/zinc/07/78/55/948077855.db2.gz TZKKGGTTWIZFDF-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000328359791 971465986 /nfs/dbraw/zinc/46/59/86/971465986.db2.gz XXHAFKAHTLJQDQ-LBPRGKRZSA-N -1 1 331.303 2.029 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1ccnc(-c2nn[n-]n2)n1 ZINC001570927444 948711129 /nfs/dbraw/zinc/71/11/29/948711129.db2.gz RUXYOOWUYTWHFF-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM CO[C@H](C)CN(C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C(C)C ZINC001570941499 949225996 /nfs/dbraw/zinc/22/59/96/949225996.db2.gz WQYCDHKOEPYVHD-LLVKDONJSA-N -1 1 342.403 2.234 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575857086 949261450 /nfs/dbraw/zinc/26/14/50/949261450.db2.gz MWTQKULRWNGZJI-GUYCJALGSA-N -1 1 335.371 2.113 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575857086 949261471 /nfs/dbraw/zinc/26/14/71/949261471.db2.gz MWTQKULRWNGZJI-GUYCJALGSA-N -1 1 335.371 2.113 20 0 EEADMM CS(C)(=O)=Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001570946509 949532105 /nfs/dbraw/zinc/53/21/05/949532105.db2.gz MTDDTGOSJMFTGH-UHFFFAOYSA-N -1 1 346.372 2.071 20 0 EEADMM CCCCOc1ccccc1CN[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001589654837 949810337 /nfs/dbraw/zinc/81/03/37/949810337.db2.gz VPOYCQZDUNAQOM-INIZCTEOSA-N -1 1 348.443 2.421 20 0 EEADMM CCCOc1ccc(CNCc2c(C(=O)[O-])cnn2C)cc1OC ZINC001589681637 950054715 /nfs/dbraw/zinc/05/47/15/950054715.db2.gz YDVXTHJCAMHORC-UHFFFAOYSA-N -1 1 333.388 2.206 20 0 EEADMM C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)n1cccc1 ZINC001574519549 950685476 /nfs/dbraw/zinc/68/54/76/950685476.db2.gz FVFIDCKUYONUEM-LLVKDONJSA-N -1 1 342.407 2.210 20 0 EEADMM C[C@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)n1cccc1 ZINC001574519549 950685484 /nfs/dbraw/zinc/68/54/84/950685484.db2.gz FVFIDCKUYONUEM-LLVKDONJSA-N -1 1 342.407 2.210 20 0 EEADMM O=C([O-])CC[C@@H]1CCCCN1C[C@@H](O)c1cc(Br)no1 ZINC001595012979 951273615 /nfs/dbraw/zinc/27/36/15/951273615.db2.gz YXICQOSPGONTBM-VHSXEESVSA-N -1 1 347.209 2.190 20 0 EEADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC001595018983 951306428 /nfs/dbraw/zinc/30/64/28/951306428.db2.gz JFRHVFCQIKOVNY-ZDUSSCGKSA-N -1 1 330.388 2.050 20 0 EEADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1cccc(Cl)c1 ZINC001575166153 952320985 /nfs/dbraw/zinc/32/09/85/952320985.db2.gz SKDODRVEHKLLPP-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1cccc(Cl)c1 ZINC001575166153 952320992 /nfs/dbraw/zinc/32/09/92/952320992.db2.gz SKDODRVEHKLLPP-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](COc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001575180051 952414562 /nfs/dbraw/zinc/41/45/62/952414562.db2.gz XLIGMXQBUFZJDB-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](COc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001575180051 952414567 /nfs/dbraw/zinc/41/45/67/952414567.db2.gz XLIGMXQBUFZJDB-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM CCc1c(NC(=O)c2ccc(C(=O)[O-])nc2)[nH]nc1-c1ccncc1 ZINC001593625597 953547975 /nfs/dbraw/zinc/54/79/75/953547975.db2.gz JKGMTXCYCOVKIP-UHFFFAOYSA-N -1 1 337.339 2.380 20 0 EEADMM CC(C)(CCNC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(=O)[O-] ZINC000716311880 955130430 /nfs/dbraw/zinc/13/04/30/955130430.db2.gz AMXJBUQIYXFPQE-HNNXBMFYSA-N -1 1 333.432 2.061 20 0 EEADMM Cn1ncc(C(=O)[O-])c1CN1CCC(COc2ccccc2)CC1 ZINC001594579197 955948737 /nfs/dbraw/zinc/94/87/37/955948737.db2.gz QNYBYIUCABQDAO-UHFFFAOYSA-N -1 1 329.400 2.409 20 0 EEADMM C[C@H](NC(=O)c1cc(C(=O)[O-])nn1C)c1nc2ccc(Cl)cc2[nH]1 ZINC001589115438 956093608 /nfs/dbraw/zinc/09/36/08/956093608.db2.gz VREASHJMLLBQAA-ZETCQYMHSA-N -1 1 347.762 2.139 20 0 EEADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3cccc([O-])c3Cl)C2)cn1 ZINC000874048428 956112448 /nfs/dbraw/zinc/11/24/48/956112448.db2.gz RTPGKUSESRWQIC-CHWSQXEVSA-N -1 1 349.818 2.469 20 0 EEADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cccc([O-])c3Cl)C2)cn1 ZINC000874048428 956112454 /nfs/dbraw/zinc/11/24/54/956112454.db2.gz RTPGKUSESRWQIC-CHWSQXEVSA-N -1 1 349.818 2.469 20 0 EEADMM COC[C@@]1(C(=O)[O-])CN(Cc2cccc(CC3CCC3)c2)CCO1 ZINC001593983360 956729425 /nfs/dbraw/zinc/72/94/25/956729425.db2.gz GSHZGORZRKFTQU-LJQANCHMSA-N -1 1 333.428 2.331 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC001594369569 958535533 /nfs/dbraw/zinc/53/55/33/958535533.db2.gz CRASSBYSDVNLAS-INIZCTEOSA-N -1 1 330.359 2.358 20 0 EEADMM CS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001594174338 959026426 /nfs/dbraw/zinc/02/64/26/959026426.db2.gz LFGHUKSPXJQEPN-ZDUSSCGKSA-N -1 1 343.401 2.206 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ncccc2Cl)c(F)c1 ZINC000231768700 960205281 /nfs/dbraw/zinc/20/52/81/960205281.db2.gz QSDVOLWTQUCAGL-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM CN(CCNC(=O)OC(C)(C)C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001138920943 960490057 /nfs/dbraw/zinc/49/00/57/960490057.db2.gz OOULNHJGJXLUSS-UHFFFAOYSA-N -1 1 338.404 2.107 20 0 EEADMM C[C@@H]1CN(Cc2ccc(CN(C)C(=O)CCC(=O)[O-])cc2)C[C@H](C)O1 ZINC001574291460 960688067 /nfs/dbraw/zinc/68/80/67/960688067.db2.gz USDQRKBERFGTAO-GASCZTMLSA-N -1 1 348.443 2.119 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n[nH]1 ZINC001588726732 961063432 /nfs/dbraw/zinc/06/34/32/961063432.db2.gz MLSGFJREGFENSG-MRXNPFEDSA-N -1 1 335.360 2.115 20 0 EEADMM CCC[N@@H+](CC(=O)[O-])Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001573854105 961137578 /nfs/dbraw/zinc/13/75/78/961137578.db2.gz PEHGPQVEBOHHSJ-UHFFFAOYSA-N -1 1 325.748 2.449 20 0 EEADMM CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001588817761 961605934 /nfs/dbraw/zinc/60/59/34/961605934.db2.gz SPWARQJSTPDBAK-ZOBUZTSGSA-N -1 1 332.444 2.465 20 0 EEADMM CC(C)[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCN1C ZINC001588963870 962642564 /nfs/dbraw/zinc/64/25/64/962642564.db2.gz WSFKYPAKHMMHDO-YESZJQIVSA-N -1 1 345.443 2.281 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000901576842 969441966 /nfs/dbraw/zinc/44/19/66/969441966.db2.gz KVSXDBNBRSGPCC-KRWDZBQOSA-N -1 1 332.444 2.407 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CC[C@@H]1C[C@H]1C1CC1 ZINC000903407917 969576520 /nfs/dbraw/zinc/57/65/20/969576520.db2.gz AUXKHRHPSNHBRP-VOAKCMCISA-N -1 1 348.365 2.019 20 0 EEADMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001603322217 972649601 /nfs/dbraw/zinc/64/96/01/972649601.db2.gz IJJASTBGCSRFPB-ACJLOTCBSA-N -1 1 334.416 2.424 20 0 EEADMM Cc1nc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(C)s1 ZINC001605403927 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EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CC(C)(C)C ZINC001452338579 1105417216 /nfs/dbraw/zinc/41/72/16/1105417216.db2.gz SDJLZLHSJKWJHL-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM CC[C@@H](C)CCC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001452605161 1105599586 /nfs/dbraw/zinc/59/95/86/1105599586.db2.gz XLAQCERFOIZWNB-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001453600446 1106332975 /nfs/dbraw/zinc/33/29/75/1106332975.db2.gz OMSCXWWCDDBGSF-IFXJQAMLSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC001454188667 1106848628 /nfs/dbraw/zinc/84/86/28/1106848628.db2.gz JOEQCBWPOYDONO-CABCVRRESA-N -1 1 335.363 2.461 20 0 EEADMM Cc1cc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])cc(C)c1F ZINC001455208548 1108307012 /nfs/dbraw/zinc/30/70/12/1108307012.db2.gz IOWPVSPLDFJYRE-UHFFFAOYSA-N -1 1 345.374 2.045 20 0 EEADMM Cc1cc(C(=O)NC[C@](C)(NC(=O)c2ncccc2[O-])C2CC2)co1 ZINC001457084121 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CSCC[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)c1nn[n-]n1 ZINC001465177404 1110412346 /nfs/dbraw/zinc/41/23/46/1110412346.db2.gz KLHDBGJDASFYNE-LBPRGKRZSA-N -1 1 334.405 2.018 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)CCC1CC1 ZINC001500657199 1113004389 /nfs/dbraw/zinc/00/43/89/1113004389.db2.gz FOPKOGOSGCLTNS-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(F)c(C)c1 ZINC001506547618 1114690002 /nfs/dbraw/zinc/69/00/02/1114690002.db2.gz SZYKVOPWMJWMJQ-CYBMUJFWSA-N -1 1 349.410 2.036 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCCc2ccccc2CC1 ZINC001520224528 1119138288 /nfs/dbraw/zinc/13/82/88/1119138288.db2.gz ILXHTIAUZXNWJG-UHFFFAOYSA-N -1 1 329.425 2.410 20 0 EEADMM CSc1ccc(CCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001521553565 1119260546 /nfs/dbraw/zinc/26/05/46/1119260546.db2.gz CYQHORHSQNDTQO-UHFFFAOYSA-N -1 1 335.454 2.474 20 0 EEADMM COCCC[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC001526562647 1120543676 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C[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccc2c(c1)OCO2 ZINC000425324638 241123373 /nfs/dbraw/zinc/12/33/73/241123373.db2.gz QVOGTYIHJQEEGM-JTQLQIEISA-N -1 1 345.355 2.014 20 0 EEADMM COc1cc2c(cc1CN[C@@H](C(=O)[O-])c1ccc(O)cc1)OCO2 ZINC000426772815 241338703 /nfs/dbraw/zinc/33/87/03/241338703.db2.gz GPKZDQWFBJIWEI-MRXNPFEDSA-N -1 1 331.324 2.045 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000451352591 243087039 /nfs/dbraw/zinc/08/70/39/243087039.db2.gz HYSQEPNQSHRIDJ-SNVBAGLBSA-N -1 1 349.733 2.212 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])N1CCOCC1 ZINC000073553644 203268348 /nfs/dbraw/zinc/26/83/48/203268348.db2.gz JQXPEMTYMXIBQW-CQSZACIVSA-N -1 1 326.824 2.132 20 0 EEADMM COCCOc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000102889541 204053728 /nfs/dbraw/zinc/05/37/28/204053728.db2.gz SGYIAMUFPGDYTO-UHFFFAOYSA-N -1 1 330.266 2.101 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCS[C@@H](C)[C@H]2C)c(=O)[n-]1 ZINC000118289503 204595814 /nfs/dbraw/zinc/59/58/14/204595814.db2.gz 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578077761 /nfs/dbraw/zinc/07/77/61/578077761.db2.gz KYMWGYQNWJGMLJ-AWEZNQCLSA-N -1 1 343.383 2.475 20 0 EEADMM O=C([O-])c1cc(-c2csc(NC(=O)c3ncccc3O)n2)c[nH]1 ZINC000740069622 578079581 /nfs/dbraw/zinc/07/95/81/578079581.db2.gz ZOLNZILVBZEJQI-UHFFFAOYSA-N -1 1 330.325 2.189 20 0 EEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1Cl ZINC000735449442 578154162 /nfs/dbraw/zinc/15/41/62/578154162.db2.gz YISCIUUGGJOOHX-VURMDHGXSA-N -1 1 329.751 2.043 20 0 EEADMM C[C@@H](CSc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736046388 578178153 /nfs/dbraw/zinc/17/81/53/578178153.db2.gz ISTLNZCZCWNHKY-LBPRGKRZSA-N -1 1 331.445 2.334 20 0 EEADMM C[C@@H](C(=O)NCc1ccccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736214792 578188470 /nfs/dbraw/zinc/18/84/70/578188470.db2.gz LOXUSSFJUZQGAV-JSGCOSHPSA-N -1 1 334.391 2.017 20 0 EEADMM C[C@@H](CN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736572831 578212350 /nfs/dbraw/zinc/21/23/50/578212350.db2.gz SHMSKWOLTMDAEJ-LBPRGKRZSA-N -1 1 347.440 2.444 20 0 EEADMM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736655825 578216730 /nfs/dbraw/zinc/21/67/30/578216730.db2.gz VBCPDWUKANQGII-LLVKDONJSA-N -1 1 338.371 2.151 20 0 EEADMM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736655825 578216731 /nfs/dbraw/zinc/21/67/31/578216731.db2.gz VBCPDWUKANQGII-LLVKDONJSA-N -1 1 338.371 2.151 20 0 EEADMM C[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000736795186 578224029 /nfs/dbraw/zinc/22/40/29/578224029.db2.gz SVTWVBZZUVIUPS-RBSFLKMASA-N -1 1 337.464 2.003 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CN(C)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736878081 578228024 /nfs/dbraw/zinc/22/80/24/578228024.db2.gz LDMKBQGGWQQRJV-WBMJQRKESA-N -1 1 340.851 2.430 20 0 EEADMM CC[C@H]1CN(CCn2cccn2)CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736944937 578230218 /nfs/dbraw/zinc/23/02/18/578230218.db2.gz VXIWEHZTQBXJGY-HNNXBMFYSA-N -1 1 346.431 2.079 20 0 EEADMM COc1cc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)ccc1O ZINC000737045780 578234953 /nfs/dbraw/zinc/23/49/53/578234953.db2.gz MXSZOIUQXAOMSW-UHFFFAOYSA-N -1 1 343.362 2.352 20 0 EEADMM COc1cc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)ccc1O ZINC000737045780 578234954 /nfs/dbraw/zinc/23/49/54/578234954.db2.gz MXSZOIUQXAOMSW-UHFFFAOYSA-N -1 1 343.362 2.352 20 0 EEADMM COc1cc(CNc2c3ccccc3nnc2-c2nnn[n-]2)ccc1O ZINC000737047713 578235113 /nfs/dbraw/zinc/23/51/13/578235113.db2.gz RPHUHZDHLIXEMG-UHFFFAOYSA-N -1 1 349.354 2.136 20 0 EEADMM COc1cc(CNc2c3ccccc3nnc2-c2nn[n-]n2)ccc1O ZINC000737047713 578235114 /nfs/dbraw/zinc/23/51/14/578235114.db2.gz RPHUHZDHLIXEMG-UHFFFAOYSA-N -1 1 349.354 2.136 20 0 EEADMM COc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1OC ZINC000737131490 578239993 /nfs/dbraw/zinc/23/99/93/578239993.db2.gz DLLKWZQPUILBAT-UHFFFAOYSA-N -1 1 343.362 2.313 20 0 EEADMM CCc1cc2c(C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000737251803 578246147 /nfs/dbraw/zinc/24/61/47/578246147.db2.gz GKPSYKRZIQCCNV-GFCCVEGCSA-N -1 1 331.368 2.358 20 0 EEADMM CCc1cc2c(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000737251803 578246148 /nfs/dbraw/zinc/24/61/48/578246148.db2.gz GKPSYKRZIQCCNV-GFCCVEGCSA-N -1 1 331.368 2.358 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737412437 578256146 /nfs/dbraw/zinc/25/61/46/578256146.db2.gz ZGLQZBYPGYPLOU-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM CN(CCN1CCN(c2ccccc2)CC1)Cc1occc1C(=O)[O-] ZINC000737440929 578257703 /nfs/dbraw/zinc/25/77/03/578257703.db2.gz JACOHBKSVFHEQN-UHFFFAOYSA-N -1 1 343.427 2.232 20 0 EEADMM O=C([C@@H]1CCSc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000737793024 578269682 /nfs/dbraw/zinc/26/96/82/578269682.db2.gz UBXHVQGYUAPOJS-CYBMUJFWSA-N -1 1 329.429 2.185 20 0 EEADMM O=C([O-])c1ccc(CN[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000819676084 597209346 /nfs/dbraw/zinc/20/93/46/597209346.db2.gz NDUACPUHCSRVFX-OAHLLOKOSA-N -1 1 328.343 2.419 20 0 EEADMM C[C@H]1Oc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820819121 607308526 /nfs/dbraw/zinc/30/85/26/607308526.db2.gz FFDZJRZACQDOCD-MRVPVSSYSA-N -1 1 342.384 2.260 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817744403 597535812 /nfs/dbraw/zinc/53/58/12/597535812.db2.gz ZUPVUUKMRJKCDT-DTWKUNHWSA-N -1 1 337.376 2.169 20 0 EEADMM Cn1c(CN2CC[C@@H](C(=O)[O-])C2)nc2cc(C(F)(F)F)ccc21 ZINC000821269160 598129683 /nfs/dbraw/zinc/12/96/83/598129683.db2.gz OTGXKVKUEPJLHM-SECBINFHSA-N -1 1 327.306 2.499 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000820980085 598188992 /nfs/dbraw/zinc/18/89/92/598188992.db2.gz JIPMRCDJSICKTO-QGZVFWFLSA-N -1 1 333.432 2.233 20 0 EEADMM C[C@@H](N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000820307378 599334689 /nfs/dbraw/zinc/33/46/89/599334689.db2.gz MHGWLBVBQKWQGP-SECBINFHSA-N -1 1 341.412 2.061 20 0 EEADMM C[C@@H](N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000820307378 599334690 /nfs/dbraw/zinc/33/46/90/599334690.db2.gz MHGWLBVBQKWQGP-SECBINFHSA-N -1 1 341.412 2.061 20 0 EEADMM c1cnn(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000823791619 599538383 /nfs/dbraw/zinc/53/83/83/599538383.db2.gz GCQIBIHNJMPACU-CYBMUJFWSA-N -1 1 346.398 2.280 20 0 EEADMM c1cnn(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000823791619 599538386 /nfs/dbraw/zinc/53/83/86/599538386.db2.gz GCQIBIHNJMPACU-CYBMUJFWSA-N -1 1 346.398 2.280 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000325515604 599823521 /nfs/dbraw/zinc/82/35/21/599823521.db2.gz OUYCYEDKYZOHDN-INIZCTEOSA-N -1 1 331.416 2.406 20 0 EEADMM Cc1cc(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000219260554 600051057 /nfs/dbraw/zinc/05/10/57/600051057.db2.gz WZQDAEWUCABLAO-UHFFFAOYSA-N -1 1 340.426 2.496 20 0 EEADMM Cc1ccccc1CN(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405316524 600287318 /nfs/dbraw/zinc/28/73/18/600287318.db2.gz KDKHVIBRZDXIQL-MRXNPFEDSA-N -1 1 330.428 2.140 20 0 EEADMM C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405323028 600302180 /nfs/dbraw/zinc/30/21/80/600302180.db2.gz QXGNUPYGXRUJCI-HIFRSBDPSA-N -1 1 328.412 2.151 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])o1 ZINC000320389356 600667229 /nfs/dbraw/zinc/66/72/29/600667229.db2.gz XDFXFACAKBTJDS-LBPRGKRZSA-N -1 1 340.445 2.154 20 0 EEADMM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000828215037 600923849 /nfs/dbraw/zinc/92/38/49/600923849.db2.gz YIEDNTBVMOVCTA-IQMDTDKHSA-N -1 1 326.343 2.080 20 0 EEADMM C/C(=C\CN1CCN(CCOc2ccccc2Cl)CC1)C(=O)[O-] ZINC000825742112 601047959 /nfs/dbraw/zinc/04/79/59/601047959.db2.gz WEACUNDEMMOYIV-MKMNVTDBSA-N -1 1 338.835 2.367 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000827374712 601124022 /nfs/dbraw/zinc/12/40/22/601124022.db2.gz KZWRWWRMRWXKNY-SNVBAGLBSA-N -1 1 338.433 2.033 20 0 EEADMM CC[C@H]1CN2CCCC[C@H]2CN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829162665 601324908 /nfs/dbraw/zinc/32/49/08/601324908.db2.gz SMEKILUTWYXDFQ-GJZGRUSLSA-N -1 1 347.459 2.461 20 0 EEADMM C/C(=C/CN1CCCN(C(=O)CCc2ccccc2)CC1)C(=O)[O-] ZINC000825741517 601325748 /nfs/dbraw/zinc/32/57/48/601325748.db2.gz ORLAGOGOSDIDEW-YBEGLDIGSA-N -1 1 330.428 2.184 20 0 EEADMM C[C@H]1CN(Cc2ccc(I)cc2)C[C@H]1C(=O)[O-] ZINC000251911796 601520878 /nfs/dbraw/zinc/52/08/78/601520878.db2.gz XGCWJHSQHBPYIW-JOYOIKCWSA-N -1 1 345.180 2.444 20 0 EEADMM CCc1cc2c(C[N@@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224784 601522886 /nfs/dbraw/zinc/52/28/86/601522886.db2.gz VTLPFVDHYYICHS-QMTHXVAHSA-N -1 1 331.368 2.214 20 0 EEADMM CCc1cc2c(C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224784 601522888 /nfs/dbraw/zinc/52/28/88/601522888.db2.gz VTLPFVDHYYICHS-QMTHXVAHSA-N -1 1 331.368 2.214 20 0 EEADMM CCCCC[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825267563 607583187 /nfs/dbraw/zinc/58/31/87/607583187.db2.gz KVHVHGDHSUNYSS-JTQLQIEISA-N -1 1 341.412 2.253 20 0 EEADMM CCCCC[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825267563 607583190 /nfs/dbraw/zinc/58/31/90/607583190.db2.gz KVHVHGDHSUNYSS-JTQLQIEISA-N -1 1 341.412 2.253 20 0 EEADMM Cc1ccc(Cl)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1N ZINC000826288554 607612649 /nfs/dbraw/zinc/61/26/49/607612649.db2.gz MPQOFOSLIKOGBA-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM Cc1ccc(Cl)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1N ZINC000826288554 607612651 /nfs/dbraw/zinc/61/26/51/607612651.db2.gz MPQOFOSLIKOGBA-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM Cc1ccc(F)c(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826289726 607643814 /nfs/dbraw/zinc/64/38/14/607643814.db2.gz KWJZMAUITYTCQL-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1 ZINC000833462880 604619724 /nfs/dbraw/zinc/61/97/24/604619724.db2.gz HWSVAMRKFBEODA-GOEBONIOSA-N -1 1 348.443 2.275 20 0 EEADMM C[C@@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)C[C@@H]1C(=O)[O-] ZINC000833629887 604666147 /nfs/dbraw/zinc/66/61/47/604666147.db2.gz NXEIJJRZKWEYOP-SCZZXKLOSA-N -1 1 329.299 2.169 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccccc1 ZINC000833623574 605044088 /nfs/dbraw/zinc/04/40/88/605044088.db2.gz ILZFWDRHXZIHKA-OAHLLOKOSA-N -1 1 347.459 2.155 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC000833381079 605111226 /nfs/dbraw/zinc/11/12/26/605111226.db2.gz ALPMHZPCJNMHKZ-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833609691 605137647 /nfs/dbraw/zinc/13/76/47/605137647.db2.gz RWMBLTPVIDQISO-RBSFLKMASA-N -1 1 325.453 2.003 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000833620660 605168362 /nfs/dbraw/zinc/16/83/62/605168362.db2.gz LWBDKTFXZPEWMJ-YWZLYKJASA-N -1 1 344.455 2.189 20 0 EEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)CCCN(C)C(=O)[O-] ZINC000833618597 605171726 /nfs/dbraw/zinc/17/17/26/605171726.db2.gz PBXRTVGNUXDOOB-JKSUJKDBSA-N -1 1 347.459 2.498 20 0 EEADMM CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833674221 605270620 /nfs/dbraw/zinc/27/06/20/605270620.db2.gz OOLWKODUJMIPTM-OLZOCXBDSA-N -1 1 333.432 2.006 20 0 EEADMM CC(=O)NCC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833396132 605371913 /nfs/dbraw/zinc/37/19/13/605371913.db2.gz GFKLXJSJYDYCCS-HNNXBMFYSA-N -1 1 342.798 2.453 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn(-c2ccccc2)c1 ZINC000823294488 606194729 /nfs/dbraw/zinc/19/47/29/606194729.db2.gz CPMXMVWUORECGN-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM COc1ccc([C@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821777523 606296769 /nfs/dbraw/zinc/29/67/69/606296769.db2.gz HDKNZWUENWNQFD-JTQLQIEISA-N -1 1 339.355 2.323 20 0 EEADMM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820218878 606493112 /nfs/dbraw/zinc/49/31/12/606493112.db2.gz AYPRAZIZSLWDJT-MRVPVSSYSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820218878 606493115 /nfs/dbraw/zinc/49/31/15/606493115.db2.gz AYPRAZIZSLWDJT-MRVPVSSYSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1cccc(F)c1 ZINC000820269975 606573589 /nfs/dbraw/zinc/57/35/89/606573589.db2.gz QZHQASWVHQAXEY-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1cccc(F)c1 ZINC000820269975 606573590 /nfs/dbraw/zinc/57/35/90/606573590.db2.gz QZHQASWVHQAXEY-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820908867 606608923 /nfs/dbraw/zinc/60/89/23/606608923.db2.gz QMGASKGRLZNCGF-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820908867 606608925 /nfs/dbraw/zinc/60/89/25/606608925.db2.gz QMGASKGRLZNCGF-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820636515 606690782 /nfs/dbraw/zinc/69/07/82/606690782.db2.gz SXGDGMGOIDAFBX-GOSISDBHSA-N -1 1 334.383 2.066 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820636515 606690783 /nfs/dbraw/zinc/69/07/83/606690783.db2.gz SXGDGMGOIDAFBX-GOSISDBHSA-N -1 1 334.383 2.066 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819883699 606787913 /nfs/dbraw/zinc/78/79/13/606787913.db2.gz KWOMUWAWPOXTAI-MRVPVSSYSA-N -1 1 338.799 2.082 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819883699 606787915 /nfs/dbraw/zinc/78/79/15/606787915.db2.gz KWOMUWAWPOXTAI-MRVPVSSYSA-N -1 1 338.799 2.082 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC2(C1)CCCCCC2 ZINC000823483955 606939080 /nfs/dbraw/zinc/93/90/80/606939080.db2.gz QCHCUBDGPRGJQV-UHFFFAOYSA-N -1 1 347.444 2.494 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC2(C1)CCCCCC2 ZINC000823483955 606939081 /nfs/dbraw/zinc/93/90/81/606939081.db2.gz QCHCUBDGPRGJQV-UHFFFAOYSA-N -1 1 347.444 2.494 20 0 EEADMM Cc1ccc(OCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1C ZINC000822263242 607023385 /nfs/dbraw/zinc/02/33/85/607023385.db2.gz JVOXVSAONMMDOR-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM Cc1ccc(OCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1C ZINC000822263242 607023386 /nfs/dbraw/zinc/02/33/86/607023386.db2.gz JVOXVSAONMMDOR-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(OC(F)F)c1 ZINC000823383263 607025344 /nfs/dbraw/zinc/02/53/44/607025344.db2.gz OGAREOQQXGKUFA-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(OC(F)F)c1 ZINC000823383263 607025346 /nfs/dbraw/zinc/02/53/46/607025346.db2.gz OGAREOQQXGKUFA-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820249385 607103167 /nfs/dbraw/zinc/10/31/67/607103167.db2.gz WETSOXGLTGNHAP-JTQLQIEISA-N -1 1 344.400 2.367 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820249385 607103170 /nfs/dbraw/zinc/10/31/70/607103170.db2.gz WETSOXGLTGNHAP-JTQLQIEISA-N -1 1 344.400 2.367 20 0 EEADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000822128261 607225151 /nfs/dbraw/zinc/22/51/51/607225151.db2.gz AEQHGUZRSZCETD-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM O=C(Nc1nc2ccccc2n1C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826460119 607861944 /nfs/dbraw/zinc/86/19/44/607861944.db2.gz NUABHRFCRAXDQS-UHFFFAOYSA-N -1 1 346.354 2.199 20 0 EEADMM O=C(Nc1nc2ccccc2n1C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826460119 607861945 /nfs/dbraw/zinc/86/19/45/607861945.db2.gz NUABHRFCRAXDQS-UHFFFAOYSA-N -1 1 346.354 2.199 20 0 EEADMM Cc1cccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300291 607874884 /nfs/dbraw/zinc/87/48/84/607874884.db2.gz OLKOCTQFXZFPBS-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1cccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300291 607874885 /nfs/dbraw/zinc/87/48/85/607874885.db2.gz OLKOCTQFXZFPBS-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM c1cn(Cc2ccccn2)c(Sc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826522205 607900482 /nfs/dbraw/zinc/90/04/82/607900482.db2.gz QPGKVLHIAJEEQM-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM c1cn(Cc2ccccn2)c(Sc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826522205 607900483 /nfs/dbraw/zinc/90/04/83/607900483.db2.gz QPGKVLHIAJEEQM-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763805 607900530 /nfs/dbraw/zinc/90/05/30/607900530.db2.gz PITSHGRNPVDBLF-JNDILOIQSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763805 607900531 /nfs/dbraw/zinc/90/05/31/607900531.db2.gz PITSHGRNPVDBLF-JNDILOIQSA-N -1 1 342.428 2.197 20 0 EEADMM CC(=O)N1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000823972665 607937250 /nfs/dbraw/zinc/93/72/50/607937250.db2.gz DXVKDIDQHIKOEO-ZDUSSCGKSA-N -1 1 335.371 2.172 20 0 EEADMM CC(=O)N1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000823972665 607937251 /nfs/dbraw/zinc/93/72/51/607937251.db2.gz DXVKDIDQHIKOEO-ZDUSSCGKSA-N -1 1 335.371 2.172 20 0 EEADMM CC(C)Cn1ncc(Nc2nccnc2-c2nnn[n-]2)c1C(F)F ZINC000824285167 608017783 /nfs/dbraw/zinc/01/77/83/608017783.db2.gz ZSBQRYLPDGNCCU-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM CC(C)Cn1ncc(Nc2nccnc2-c2nn[n-]n2)c1C(F)F ZINC000824285167 608017784 /nfs/dbraw/zinc/01/77/84/608017784.db2.gz ZSBQRYLPDGNCCU-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM CC(C)C[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824242759 608188179 /nfs/dbraw/zinc/18/81/79/608188179.db2.gz BGJUMEREDIQXAZ-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)C[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824242759 608188181 /nfs/dbraw/zinc/18/81/81/608188181.db2.gz BGJUMEREDIQXAZ-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824883639 608195598 /nfs/dbraw/zinc/19/55/98/608195598.db2.gz IFTIIAWWZXWYQT-GHMZBOCLSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824883639 608195599 /nfs/dbraw/zinc/19/55/99/608195599.db2.gz IFTIIAWWZXWYQT-GHMZBOCLSA-N -1 1 325.376 2.037 20 0 EEADMM Fc1ccccc1C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826377917 608421453 /nfs/dbraw/zinc/42/14/53/608421453.db2.gz MBUXUEUYDCLOJD-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826377917 608421454 /nfs/dbraw/zinc/42/14/54/608421454.db2.gz MBUXUEUYDCLOJD-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(C)c1 ZINC000825122405 608429214 /nfs/dbraw/zinc/42/92/14/608429214.db2.gz YVSOQNJDWBTKLF-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(C)c1 ZINC000825122405 608429215 /nfs/dbraw/zinc/42/92/15/608429215.db2.gz YVSOQNJDWBTKLF-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)CCOc1ccccc1F ZINC000826280088 608542352 /nfs/dbraw/zinc/54/23/52/608542352.db2.gz NAKKXJIMZWQFGW-UHFFFAOYSA-N -1 1 328.351 2.224 20 0 EEADMM CCOc1ccc(C2=CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000825639131 608555466 /nfs/dbraw/zinc/55/54/66/608555466.db2.gz REXVVRMJFHNRSJ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM CCOc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000825639131 608555467 /nfs/dbraw/zinc/55/54/67/608555467.db2.gz REXVVRMJFHNRSJ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](C(F)(F)F)O1 ZINC000824985845 608728265 /nfs/dbraw/zinc/72/82/65/608728265.db2.gz ZCKUNNMZKHMWJY-XVKPBYJWSA-N -1 1 333.339 2.080 20 0 EEADMM CCO[C@@H](C)c1noc(CN(C)Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC000825577145 608731654 /nfs/dbraw/zinc/73/16/54/608731654.db2.gz TYHSWYOWEBTEIL-VIFPVBQESA-N -1 1 349.420 2.041 20 0 EEADMM COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215595 609593023 /nfs/dbraw/zinc/59/30/23/609593023.db2.gz UGOCRMCFVNYUIH-NHYWBVRUSA-N -1 1 337.387 2.253 20 0 EEADMM COc1cccc([C@@H]2C[C@H](C)CN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215595 609593024 /nfs/dbraw/zinc/59/30/24/609593024.db2.gz UGOCRMCFVNYUIH-NHYWBVRUSA-N -1 1 337.387 2.253 20 0 EEADMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845424 674602471 /nfs/dbraw/zinc/60/24/71/674602471.db2.gz HDXATLLOJJTWJK-PRHODGIISA-N -1 1 341.260 2.464 20 0 EEADMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845344 674602832 /nfs/dbraw/zinc/60/28/32/674602832.db2.gz FMXVPCORDDOEGL-JTQLQIEISA-N -1 1 341.260 2.464 20 0 EEADMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866849025 674649686 /nfs/dbraw/zinc/64/96/86/674649686.db2.gz PVJUXIQONDWIRG-CBAPKCEASA-N -1 1 327.233 2.074 20 0 EEADMM Cc1nc(CN2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000969542731 675098595 /nfs/dbraw/zinc/09/85/95/675098595.db2.gz HVNKLPARGWELBD-JTQLQIEISA-N -1 1 346.456 2.111 20 0 EEADMM C[C@@H]1CN(C(=O)CC(C)(C)C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020691561 675412041 /nfs/dbraw/zinc/41/20/41/675412041.db2.gz HDZCLYLZBYIHTJ-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H]1CN(C(=O)CC2(C)CC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020773682 675486281 /nfs/dbraw/zinc/48/62/81/675486281.db2.gz TWHMKVGGPSRZHN-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020808595 675506025 /nfs/dbraw/zinc/50/60/25/675506025.db2.gz KSDPVQOUUXFGOU-OLZOCXBDSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)Oc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)nc1 ZINC000891618903 676726908 /nfs/dbraw/zinc/72/69/08/676726908.db2.gz UOYJQXBTEWNVCI-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621919 676732703 /nfs/dbraw/zinc/73/27/03/676732703.db2.gz KQCWLMXVXVSTBY-SNVBAGLBSA-N -1 1 343.431 2.229 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cc(F)ccc2F)o1 ZINC000056284124 679707129 /nfs/dbraw/zinc/70/71/29/679707129.db2.gz LFWCUUHXOAUYEP-QMMMGPOBSA-N -1 1 345.323 2.384 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000866861010 677923022 /nfs/dbraw/zinc/92/30/22/677923022.db2.gz CXIPEVACRCQVOR-CYBMUJFWSA-N -1 1 332.491 2.441 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CC=CCC1 ZINC000984801010 685276546 /nfs/dbraw/zinc/27/65/46/685276546.db2.gz IKBBWQHWZRKWDI-SOUVJXGZSA-N -1 1 343.427 2.253 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ncccc1[O-] ZINC001059067219 681480444 /nfs/dbraw/zinc/48/04/44/681480444.db2.gz CQUQJMHYBXHPJX-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccccc2O)no1 ZINC001024877129 681524283 /nfs/dbraw/zinc/52/42/83/681524283.db2.gz ZIZIZCIBFFIGLG-OAHLLOKOSA-N -1 1 329.400 2.473 20 0 EEADMM CN(C(=O)c1ccc(Cl)o1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937210627 681685502 /nfs/dbraw/zinc/68/55/02/681685502.db2.gz DTSZMUMIMWWPMZ-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM CN(C(=O)[C@@]12C[C@@H]1CCCC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217199 681702399 /nfs/dbraw/zinc/70/23/99/681702399.db2.gz SMSLAXHGDULURB-KSMMKXTCSA-N -1 1 343.427 2.040 20 0 EEADMM CC1=CC[C@](C)(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001025166927 682141211 /nfs/dbraw/zinc/14/12/11/682141211.db2.gz CNWWEMCDELCWHH-KDOFPFPSSA-N -1 1 347.463 2.118 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000973199099 682296590 /nfs/dbraw/zinc/29/65/90/682296590.db2.gz OPBANUFQRUEHPH-IHRRRGAJSA-N -1 1 345.443 2.381 20 0 EEADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000973728122 683188885 /nfs/dbraw/zinc/18/88/85/683188885.db2.gz VSYJMGORXXJFTR-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000078776567 683723543 /nfs/dbraw/zinc/72/35/43/683723543.db2.gz IGFSWYSCXPXEEG-UHFFFAOYSA-N -1 1 329.356 2.241 20 0 EEADMM CN(C(=O)C1CCCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984109658 684112078 /nfs/dbraw/zinc/11/20/78/684112078.db2.gz XUMPIOUPJAYBEA-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000909510582 684372868 /nfs/dbraw/zinc/37/28/68/684372868.db2.gz UIQSVIPGAMKJOQ-UHFFFAOYSA-N -1 1 339.298 2.083 20 0 EEADMM CCc1ccccc1N1C[C@@H](C(=O)[N-]OCc2ccccn2)CC1=O ZINC000909520576 684573934 /nfs/dbraw/zinc/57/39/34/684573934.db2.gz AZLPCZCCHUTYLA-HNNXBMFYSA-N -1 1 339.395 2.245 20 0 EEADMM CO[C@@]1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCSC1 ZINC000895561751 684642763 /nfs/dbraw/zinc/64/27/63/684642763.db2.gz GXFXOANIEVAWRK-SFHVURJKSA-N -1 1 349.452 2.336 20 0 EEADMM CC(C)(C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000975253947 686359970 /nfs/dbraw/zinc/35/99/70/686359970.db2.gz JKWPMRAEHGKTBY-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(C)s2)o1 ZINC000054260755 686430660 /nfs/dbraw/zinc/43/06/60/686430660.db2.gz IWQGMQJVTOPWHN-SECBINFHSA-N -1 1 328.415 2.049 20 0 EEADMM CC[C@@H](C)CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059547015 686623752 /nfs/dbraw/zinc/62/37/52/686623752.db2.gz HMHRTOVJGLWJNX-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2CC3(CC3)C2)CCN1C(=O)c1ncccc1[O-] ZINC000985445059 686772174 /nfs/dbraw/zinc/77/21/74/686772174.db2.gz HNPURZGQRNJZJW-UONOGXRCSA-N -1 1 343.427 2.087 20 0 EEADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001027262753 686988058 /nfs/dbraw/zinc/98/80/58/686988058.db2.gz GBPWLLXOBBCGPT-GFCCVEGCSA-N -1 1 346.456 2.230 20 0 EEADMM CC(C)c1nsc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059613922 687401658 /nfs/dbraw/zinc/40/16/58/687401658.db2.gz POEHZLQPOBRGHZ-AOOOYVTPSA-N -1 1 333.417 2.135 20 0 EEADMM C[N@H+](Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001029855223 687472898 /nfs/dbraw/zinc/47/28/98/687472898.db2.gz JVTKQNLNWHRYJK-HNNXBMFYSA-N -1 1 349.479 2.151 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001029855223 687472902 /nfs/dbraw/zinc/47/29/02/687472902.db2.gz JVTKQNLNWHRYJK-HNNXBMFYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029859470 687549295 /nfs/dbraw/zinc/54/92/95/687549295.db2.gz RQMAYTTYXSKFIU-UKRRQHHQSA-N -1 1 349.479 2.007 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985725710 687564985 /nfs/dbraw/zinc/56/49/85/687564985.db2.gz QONSGLOELWDOOT-HIFRSBDPSA-N -1 1 349.479 2.150 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029912430 688261839 /nfs/dbraw/zinc/26/18/39/688261839.db2.gz JPRQDPYTXATVKV-UONOGXRCSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@H](C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000986975108 689161366 /nfs/dbraw/zinc/16/13/66/689161366.db2.gz GWIRAOABXNHCKK-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987003746 689210193 /nfs/dbraw/zinc/21/01/93/689210193.db2.gz PFNAPPOUYZYXTQ-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1c([C@@H](NCc2cccc3c2OC(C)(C)C3)C(=O)[O-])cnn1C ZINC000904048354 694282745 /nfs/dbraw/zinc/28/27/45/694282745.db2.gz PNBAVQUNMKMQHX-OAHLLOKOSA-N -1 1 329.400 2.358 20 0 EEADMM Cc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000987252841 689535422 /nfs/dbraw/zinc/53/54/22/689535422.db2.gz SJTQWZFXZKMQTQ-HIFRSBDPSA-N -1 1 339.395 2.129 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccccc2)sn1 ZINC000866954405 689553671 /nfs/dbraw/zinc/55/36/71/689553671.db2.gz GFNQZMBIBDJTKE-WCQYABFASA-N -1 1 326.443 2.242 20 0 EEADMM C/C(=C/C(=O)N1CC[C@H](CN(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000987782344 690028313 /nfs/dbraw/zinc/02/83/13/690028313.db2.gz CUTBGOWMIVSLIC-QLKUMGTLSA-N -1 1 343.427 2.064 20 0 EEADMM O=C([O-])COCCOCCNCc1c(Cl)oc2ccccc21 ZINC000904272440 694341598 /nfs/dbraw/zinc/34/15/98/694341598.db2.gz RLADQIGBAMHINM-UHFFFAOYSA-N -1 1 327.764 2.294 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC001059875464 690543455 /nfs/dbraw/zinc/54/34/55/690543455.db2.gz AIJWUJZKRGHGQE-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM O=C(CC1=CCCCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937751488 690939635 /nfs/dbraw/zinc/93/96/35/690939635.db2.gz JJKSISQBMWVLAM-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000937867143 691043650 /nfs/dbraw/zinc/04/36/50/691043650.db2.gz URHNEJVYPQCSIK-IFXJQAMLSA-N -1 1 343.427 2.254 20 0 EEADMM CCC(=O)c1ccc([O-])c(NC(=O)C2CN(C3CCOCC3)C2)c1 ZINC000897809388 691789487 /nfs/dbraw/zinc/78/94/87/691789487.db2.gz SMZOSHHHSHEXMJ-UHFFFAOYSA-N -1 1 332.400 2.034 20 0 EEADMM CC(F)(F)C(=O)[N-]C1CN(C(=O)c2ccsc2C(F)(F)F)C1 ZINC000990054430 692608775 /nfs/dbraw/zinc/60/87/75/692608775.db2.gz TZXWIZSLKKBVGQ-UHFFFAOYSA-N -1 1 342.289 2.363 20 0 EEADMM Cc1sccc1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977621687 692856015 /nfs/dbraw/zinc/85/60/15/692856015.db2.gz ULUMYBJRXCGVMX-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)[C@@H]1CC1(C)C ZINC000990522013 692999165 /nfs/dbraw/zinc/99/91/65/692999165.db2.gz PEIYPTZSVNBKQF-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757212 693441953 /nfs/dbraw/zinc/44/19/53/693441953.db2.gz PULNQBNQRMUKQQ-SECBINFHSA-N -1 1 337.376 2.072 20 0 EEADMM C[C@H]1C(=O)N([N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)C(=O)N1C ZINC000899039244 693579628 /nfs/dbraw/zinc/57/96/28/693579628.db2.gz VVFUZZGEMKMZTG-XVKPBYJWSA-N -1 1 347.268 2.030 20 0 EEADMM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(-c2nccn(C)c2=O)c1=O ZINC000899353352 693712669 /nfs/dbraw/zinc/71/26/69/693712669.db2.gz XJJWJXFXDXRCEI-CYBMUJFWSA-N -1 1 344.802 2.457 20 0 EEADMM CC1(CC(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CCCC1 ZINC000943998962 1192745724 /nfs/dbraw/zinc/74/57/24/1192745724.db2.gz NHUACLRRBKIEFE-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CCc1sc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])cc1C ZINC001408554076 1178129770 /nfs/dbraw/zinc/12/97/70/1178129770.db2.gz AKMQODCQHXBRIH-UHFFFAOYSA-N -1 1 347.440 2.222 20 0 EEADMM Cn1cc(Cl)c(CNC(=O)c2ccc(Br)cc2[O-])n1 ZINC000393657913 1179174933 /nfs/dbraw/zinc/17/49/33/1179174933.db2.gz QDWJGCKEXVZLIA-UHFFFAOYSA-N -1 1 344.596 2.472 20 0 EEADMM CCc1ccc(C(=O)NCCN(CC)C(=O)c2ncccc2[O-])cc1 ZINC001408797593 1180384907 /nfs/dbraw/zinc/38/49/07/1180384907.db2.gz LFVPLXFSPZGMSG-UHFFFAOYSA-N -1 1 341.411 2.242 20 0 EEADMM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)c1ncccc1[O-] ZINC001268843402 1183761763 /nfs/dbraw/zinc/76/17/63/1183761763.db2.gz 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EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901053729 1235166454 /nfs/dbraw/zinc/16/64/54/1235166454.db2.gz NCTGDEAGLYWSHP-AWEZNQCLSA-N -1 1 325.368 2.486 20 0 EEADMM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325920 1235425033 /nfs/dbraw/zinc/42/50/33/1235425033.db2.gz KEDOFYMAXARTJR-QWRGUYRKSA-N -1 1 349.362 2.177 20 0 EEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCCOC[C@@H]3CCCO3)n2)cc1 ZINC000801367616 1235463670 /nfs/dbraw/zinc/46/36/70/1235463670.db2.gz USCIWPSVLSXQIT-HNNXBMFYSA-N -1 1 346.383 2.239 20 0 EEADMM CCCCNC(=O)COC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000801417208 1235546959 /nfs/dbraw/zinc/54/69/59/1235546959.db2.gz FQIULVAVLUFULW-UHFFFAOYSA-N -1 1 345.399 2.213 20 0 EEADMM CCc1noc(COC(=O)c2nn(-c3ccccc3CC)cc2[O-])n1 ZINC000801418705 1235550832 /nfs/dbraw/zinc/55/08/32/1235550832.db2.gz UDUDBROJKYHFGB-UHFFFAOYSA-N -1 1 342.355 2.443 20 0 EEADMM Cc1ccc([C@H](C)CN(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000901628354 1236071845 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CC[C@@H](C)n1nc(NC(=O)N2CCC(c3nn[n-]n3)CC2)cc1C ZINC001413536465 1241145819 /nfs/dbraw/zinc/14/58/19/1241145819.db2.gz DKKWVZPCFZEDEN-SNVBAGLBSA-N -1 1 332.412 2.087 20 0 EEADMM CC(C)CN(Cc1nnnn1Cc1ccccc1)CC(C)(C)C(=O)[O-] ZINC000903620578 1241210026 /nfs/dbraw/zinc/21/00/26/1241210026.db2.gz BDBOBABOLXYUJE-UHFFFAOYSA-N -1 1 345.447 2.290 20 0 EEADMM C[C@H](NC(=O)/C=C/C(C)(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050523674 1243778688 /nfs/dbraw/zinc/77/86/88/1243778688.db2.gz SBOJMBSKXBQXQA-LUIPGBGBSA-N -1 1 345.443 2.356 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC(CNc2cccc(F)n2)CC1 ZINC001057492822 1243979362 /nfs/dbraw/zinc/97/93/62/1243979362.db2.gz PFTNMJOVJLHUBT-UHFFFAOYSA-N -1 1 330.363 2.286 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001052674948 1244725308 /nfs/dbraw/zinc/72/53/08/1244725308.db2.gz AMMUQJUTDXZYBY-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001052998969 1245637213 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CC(C)(CC(F)(F)F)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609083075 1351834781 /nfs/dbraw/zinc/83/47/81/1351834781.db2.gz UJHPBDHQFYBLEK-UHFFFAOYSA-N -1 1 329.286 2.114 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609154988 1351865994 /nfs/dbraw/zinc/86/59/94/1351865994.db2.gz KJLMEDXLWDPKDU-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609154988 1351865995 /nfs/dbraw/zinc/86/59/95/1351865995.db2.gz KJLMEDXLWDPKDU-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@H](C)CCC(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001609186194 1351881158 /nfs/dbraw/zinc/88/11/58/1351881158.db2.gz VTIBKWMPJFVTGD-NSHDSACASA-N -1 1 340.391 2.212 20 0 EEADMM CC/C=C/CCn1c(C)c(Br)cc(-c2nn[n-]n2)c1=O ZINC001609203339 1351889920 /nfs/dbraw/zinc/88/99/20/1351889920.db2.gz IXAWCHQNTGWNDA-SNAWJCMRSA-N -1 1 338.209 2.456 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001609231916 1351903061 /nfs/dbraw/zinc/90/30/61/1351903061.db2.gz YUSFHOKYBDTYLR-JTQLQIEISA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609231916 1351903063 /nfs/dbraw/zinc/90/30/63/1351903063.db2.gz YUSFHOKYBDTYLR-JTQLQIEISA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)c1cnn(CC2CCC(C)(C)CC2)c1-c1nn[n-]n1 ZINC001609235899 1351904218 /nfs/dbraw/zinc/90/42/18/1351904218.db2.gz FZJZMLXXRMHESO-UHFFFAOYSA-N -1 1 332.408 2.456 20 0 EEADMM CCSc1cccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609248996 1351908219 /nfs/dbraw/zinc/90/82/19/1351908219.db2.gz JOXZAMMJYRMFAO-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM CCSc1cccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609248996 1351908220 /nfs/dbraw/zinc/90/82/20/1351908220.db2.gz JOXZAMMJYRMFAO-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM CCc1nocc1CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001609256530 1351912289 /nfs/dbraw/zinc/91/22/89/1351912289.db2.gz QKVSOLMLCCNZJE-UHFFFAOYSA-N -1 1 325.785 2.163 20 0 EEADMM CCc1nocc1CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001609256530 1351912291 /nfs/dbraw/zinc/91/22/91/1351912291.db2.gz QKVSOLMLCCNZJE-UHFFFAOYSA-N -1 1 325.785 2.163 20 0 EEADMM CCc1c(Nc2cc(-c3nnn[n-]3)ncn2)cnn1CCC(C)C ZINC001609250256 1351909001 /nfs/dbraw/zinc/90/90/01/1351909001.db2.gz ZJVMQHGDHXRKSI-UHFFFAOYSA-N -1 1 327.396 2.205 20 0 EEADMM CCc1c(Nc2cc(-c3nn[n-]n3)ncn2)cnn1CCC(C)C ZINC001609250256 1351909004 /nfs/dbraw/zinc/90/90/04/1351909004.db2.gz ZJVMQHGDHXRKSI-UHFFFAOYSA-N -1 1 327.396 2.205 20 0 EEADMM CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC001609280066 1351920788 /nfs/dbraw/zinc/92/07/88/1351920788.db2.gz WMSQEGCECOVYHP-UHFFFAOYSA-N -1 1 343.774 2.498 20 0 EEADMM COCCC1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001609321509 1351932564 /nfs/dbraw/zinc/93/25/64/1351932564.db2.gz DMVQJWPRDKBWHW-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM COc1cc(OC)c2ncc(-c3nn[n-]n3)c(OCC(C)C)c2c1 ZINC001609347579 1351940881 /nfs/dbraw/zinc/94/08/81/1351940881.db2.gz CVGAOHVGTHGYHS-UHFFFAOYSA-N -1 1 329.360 2.467 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccccc2F)cc1-c1nn[n-]n1 ZINC001609372576 1351950645 /nfs/dbraw/zinc/95/06/45/1351950645.db2.gz RYKOMUGYWSDEAO-UHFFFAOYSA-N -1 1 346.347 2.081 20 0 EEADMM Cc1c([C@@H](C)Nc2c3ccccc3nnc2-c2nnn[n-]2)cnn1C ZINC001609382741 1351953992 /nfs/dbraw/zinc/95/39/92/1351953992.db2.gz PKLXCSXNGCHJCK-SECBINFHSA-N -1 1 335.375 2.025 20 0 EEADMM Cc1c([C@@H](C)Nc2c3ccccc3nnc2-c2nn[n-]n2)cnn1C ZINC001609382741 1351953994 /nfs/dbraw/zinc/95/39/94/1351953994.db2.gz PKLXCSXNGCHJCK-SECBINFHSA-N -1 1 335.375 2.025 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609408523 1351964708 /nfs/dbraw/zinc/96/47/08/1351964708.db2.gz AJWGUZBEEJMZCD-LLVKDONJSA-N -1 1 340.435 2.425 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609408523 1351964709 /nfs/dbraw/zinc/96/47/09/1351964709.db2.gz AJWGUZBEEJMZCD-LLVKDONJSA-N -1 1 340.435 2.425 20 0 EEADMM Cc1cc(NCc2cccc3c2OCCCO3)cc(-c2nnn[n-]2)n1 ZINC001609410255 1351966087 /nfs/dbraw/zinc/96/60/87/1351966087.db2.gz BJJRUXZRGSRISA-UHFFFAOYSA-N -1 1 338.371 2.344 20 0 EEADMM Cc1cc(NCc2cccc3c2OCCCO3)cc(-c2nn[n-]n2)n1 ZINC001609410255 1351966089 /nfs/dbraw/zinc/96/60/89/1351966089.db2.gz BJJRUXZRGSRISA-UHFFFAOYSA-N -1 1 338.371 2.344 20 0 EEADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609436326 1351975973 /nfs/dbraw/zinc/97/59/73/1351975973.db2.gz JQFWNZOIUTXGNL-UHFFFAOYSA-N -1 1 347.375 2.256 20 0 EEADMM Cc1[nH]nc(NCc2ccc3c(c2)OCCCCO3)c1-c1nnn[n-]1 ZINC001609444796 1351980702 /nfs/dbraw/zinc/98/07/02/1351980702.db2.gz SQAWVJNXWWNODK-UHFFFAOYSA-N -1 1 341.375 2.062 20 0 EEADMM Cc1[nH]nc(NCc2ccc3c(c2)OCCCCO3)c1-c1nn[n-]n1 ZINC001609444796 1351980703 /nfs/dbraw/zinc/98/07/03/1351980703.db2.gz SQAWVJNXWWNODK-UHFFFAOYSA-N -1 1 341.375 2.062 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nnn[n-]3)n1)CCCO2 ZINC001609491610 1351998020 /nfs/dbraw/zinc/99/80/20/1351998020.db2.gz UQOIWLDAALDWND-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nn[n-]n3)n1)CCCO2 ZINC001609491610 1351998021 /nfs/dbraw/zinc/99/80/21/1351998021.db2.gz UQOIWLDAALDWND-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(c2ccccc2)CC1 ZINC001609583050 1352026791 /nfs/dbraw/zinc/02/67/91/1352026791.db2.gz ONJFMGOPPRDWIF-UHFFFAOYSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(c2ccccc2)CC1 ZINC001609583050 1352026793 /nfs/dbraw/zinc/02/67/93/1352026793.db2.gz ONJFMGOPPRDWIF-UHFFFAOYSA-N -1 1 334.383 2.282 20 0 EEADMM C[C@@H](C(=O)NC1CCCCC1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001609634444 1352046955 /nfs/dbraw/zinc/04/69/55/1352046955.db2.gz FHZPBBKDQOGTBH-IINYFYTJSA-N -1 1 336.354 2.163 20 0 EEADMM CCCSC[C@@H](NCc1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC001334396404 1336248265 /nfs/dbraw/zinc/24/82/65/1336248265.db2.gz GXRUDVCQUXGKEP-OAHLLOKOSA-N -1 1 334.445 2.012 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c(C)c1 ZINC001338374069 1336850497 /nfs/dbraw/zinc/85/04/97/1336850497.db2.gz QSAMJPOUQGIJKZ-UHFFFAOYSA-N -1 1 332.385 2.086 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C[C@H](O)c1ccc(F)c(F)c1 ZINC001609849274 1352101152 /nfs/dbraw/zinc/10/11/52/1352101152.db2.gz BHMHILZGXXNOKL-HOUZQUGISA-N -1 1 341.354 2.093 20 0 EEADMM COc1ccc2cc(C(=O)N3CCC(c4nn[n-]n4)CC3)ccc2c1 ZINC001339720069 1337060161 /nfs/dbraw/zinc/06/01/61/1337060161.db2.gz AZWWITURUZYFSR-UHFFFAOYSA-N -1 1 337.383 2.381 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001609927572 1352121932 /nfs/dbraw/zinc/12/19/32/1352121932.db2.gz ZROYPJXYWOPJNV-CJNGLKHVSA-N -1 1 329.400 2.099 20 0 EEADMM CCO[C@H](C)c1noc(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)n1 ZINC001610025952 1352144480 /nfs/dbraw/zinc/14/44/80/1352144480.db2.gz KRPYRWVQVJLBAN-SNPRPXQTSA-N -1 1 345.399 2.467 20 0 EEADMM CCOc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cn1 ZINC001610044923 1352148701 /nfs/dbraw/zinc/14/87/01/1352148701.db2.gz WNWAFSIMRASFJS-UHFFFAOYSA-N -1 1 342.398 2.349 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001351743669 1337843185 /nfs/dbraw/zinc/84/31/85/1337843185.db2.gz CZOMKIQYSIKRKR-UHFFFAOYSA-N -1 1 333.417 2.423 20 0 EEADMM CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)CC1(C(=O)[O-])CC1 ZINC001610140656 1352172152 /nfs/dbraw/zinc/17/21/52/1352172152.db2.gz YZXNKJOQFNCRPO-UHFFFAOYSA-N -1 1 344.333 2.118 20 0 EEADMM COC(=O)c1oc([C@@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1C ZINC001610220130 1352189362 /nfs/dbraw/zinc/18/93/62/1352189362.db2.gz CANJIUPIDLUGFX-GHMZBOCLSA-N -1 1 327.402 2.328 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2nc(C)cnc2Cl)ccc1F ZINC001200386850 1338294595 /nfs/dbraw/zinc/29/45/95/1338294595.db2.gz BAPGULHXGKHAEJ-UHFFFAOYSA-N -1 1 331.756 2.387 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC001610242147 1352193538 /nfs/dbraw/zinc/19/35/38/1352193538.db2.gz GDWJVUCAEGQGBQ-UHFFFAOYSA-N -1 1 349.431 2.268 20 0 EEADMM COCc1cc(NC(=O)NCc2n[nH]c(C(C)C)n2)cc(C(=O)[O-])c1 ZINC001610271472 1352197163 /nfs/dbraw/zinc/19/71/63/1352197163.db2.gz WPNJXKYSZXKHDP-UHFFFAOYSA-N -1 1 347.375 2.094 20 0 EEADMM CSCCCN(C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610381912 1352213843 /nfs/dbraw/zinc/21/38/43/1352213843.db2.gz DNADPBHZXRNHOH-LLVKDONJSA-N -1 1 328.459 2.237 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCC[C@@H]1O ZINC001610487503 1352230883 /nfs/dbraw/zinc/23/08/83/1352230883.db2.gz VFCZHVXNSORLLQ-BJJXKVORSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc2nc(CNC(=O)Nc3cccc(CC(=O)[O-])n3)[nH]c2c1 ZINC001610515408 1352236647 /nfs/dbraw/zinc/23/66/47/1352236647.db2.gz NJMDDHRGFGWJDF-UHFFFAOYSA-N -1 1 339.355 2.215 20 0 EEADMM Nc1nccc([C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)n1 ZINC001610648940 1352257422 /nfs/dbraw/zinc/25/74/22/1352257422.db2.gz QZAGTYXKALGSNJ-GFCCVEGCSA-N -1 1 330.363 2.276 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN[C@H]3CCCCNC3=O)o2)cc1 ZINC001610819141 1352279900 /nfs/dbraw/zinc/27/99/00/1352279900.db2.gz UVVHTVJSYVQWMQ-HNNXBMFYSA-N -1 1 328.368 2.403 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC(Oc3cnccn3)CC2)c1 ZINC001610849779 1352285329 /nfs/dbraw/zinc/28/53/29/1352285329.db2.gz XWIUAJGQAOZKQQ-UHFFFAOYSA-N -1 1 343.383 2.097 20 0 EEADMM CC(C)CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001430146052 1340139444 /nfs/dbraw/zinc/13/94/44/1340139444.db2.gz KIFXMPGHUBPBQH-HDJSIYSDSA-N -1 1 345.443 2.381 20 0 EEADMM CCC(CC)(NC(=O)COc1ccc(Cl)c(F)c1)c1nn[n-]n1 ZINC001433966364 1341733259 /nfs/dbraw/zinc/73/32/59/1341733259.db2.gz IIMRWZKMBIPJAW-UHFFFAOYSA-N -1 1 341.774 2.203 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccn1 ZINC001575320036 1343776210 /nfs/dbraw/zinc/77/62/10/1343776210.db2.gz QHTURPUJZZBSNU-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccn1 ZINC001575320036 1343776214 /nfs/dbraw/zinc/77/62/14/1343776214.db2.gz QHTURPUJZZBSNU-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM CCN(CCOc1ccccc1C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001578171117 1344245052 /nfs/dbraw/zinc/24/50/52/1344245052.db2.gz QCBOXTXBPDBIHB-UHFFFAOYSA-N -1 1 339.403 2.179 20 0 EEADMM CCN(CCOc1ccccc1C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001578171117 1344245056 /nfs/dbraw/zinc/24/50/56/1344245056.db2.gz QCBOXTXBPDBIHB-UHFFFAOYSA-N -1 1 339.403 2.179 20 0 EEADMM CCOc1ccccc1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001578404175 1344273870 /nfs/dbraw/zinc/27/38/70/1344273870.db2.gz RWTWPGHDXLMYCE-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM CCOc1ccccc1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001578404175 1344273873 /nfs/dbraw/zinc/27/38/73/1344273873.db2.gz RWTWPGHDXLMYCE-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578854263 1344309096 /nfs/dbraw/zinc/30/90/96/1344309096.db2.gz LLLOKYJKEIDAGM-UONOGXRCSA-N -1 1 338.346 2.167 20 0 EEADMM CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578854263 1344309099 /nfs/dbraw/zinc/30/90/99/1344309099.db2.gz LLLOKYJKEIDAGM-UONOGXRCSA-N -1 1 338.346 2.167 20 0 EEADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1C ZINC001579988767 1344443727 /nfs/dbraw/zinc/44/37/27/1344443727.db2.gz QWBYINQWZULWTD-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1C ZINC001579988767 1344443731 /nfs/dbraw/zinc/44/37/31/1344443731.db2.gz QWBYINQWZULWTD-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM COc1ccc(N(C)C(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001580035220 1344452314 /nfs/dbraw/zinc/45/23/14/1344452314.db2.gz PAXVFBPJHLQCMR-UHFFFAOYSA-N -1 1 343.322 2.078 20 0 EEADMM COc1ccc(N(C)C(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001580035220 1344452317 /nfs/dbraw/zinc/45/23/17/1344452317.db2.gz PAXVFBPJHLQCMR-UHFFFAOYSA-N -1 1 343.322 2.078 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cncc(F)c1 ZINC001580434481 1344520059 /nfs/dbraw/zinc/52/00/59/1344520059.db2.gz CMCCTQRNEJVDTF-ZETCQYMHSA-N -1 1 348.288 2.170 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cncc(F)c1 ZINC001580434481 1344520061 /nfs/dbraw/zinc/52/00/61/1344520061.db2.gz CMCCTQRNEJVDTF-ZETCQYMHSA-N -1 1 348.288 2.170 20 0 EEADMM Cc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c(C)c1 ZINC001581137632 1344591910 /nfs/dbraw/zinc/59/19/10/1344591910.db2.gz CXBXGYLQHHCRRU-UHFFFAOYSA-N -1 1 349.394 2.017 20 0 EEADMM Cc1cncc(CCC(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001581328179 1344617551 /nfs/dbraw/zinc/61/75/51/1344617551.db2.gz WNEKYRWLQGNPGO-UHFFFAOYSA-N -1 1 349.807 2.251 20 0 EEADMM Cc1cncc(CCC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001581328179 1344617554 /nfs/dbraw/zinc/61/75/54/1344617554.db2.gz WNEKYRWLQGNPGO-UHFFFAOYSA-N -1 1 349.807 2.251 20 0 EEADMM Cc1coc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC001581368670 1344620519 /nfs/dbraw/zinc/62/05/19/1344620519.db2.gz UQTCEFDNDHXQEA-UHFFFAOYSA-N -1 1 342.378 2.229 20 0 EEADMM Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)CC(C)C)C2)c1-c1nn[n-]n1 ZINC001581697404 1344654797 /nfs/dbraw/zinc/65/47/97/1344654797.db2.gz JJEFLLBWAMSDEO-MWLCHTKSSA-N -1 1 349.464 2.079 20 0 EEADMM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1c([O-])cccc1Cl ZINC001582526422 1344758145 /nfs/dbraw/zinc/75/81/45/1344758145.db2.gz BKCFNNVASSLTAT-UHFFFAOYSA-N -1 1 343.774 2.198 20 0 EEADMM O=C(NCCc1ccc(Cl)cc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582526639 1344758448 /nfs/dbraw/zinc/75/84/48/1344758448.db2.gz OBZJGVODTGHMQJ-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O=C(NCCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582526639 1344758451 /nfs/dbraw/zinc/75/84/51/1344758451.db2.gz OBZJGVODTGHMQJ-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O[C@@H](Cn1ccnc1-c1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC001582813355 1344795639 /nfs/dbraw/zinc/79/56/39/1344795639.db2.gz CXJDWRVBYLQHEQ-JTQLQIEISA-N -1 1 325.159 2.104 20 0 EEADMM O[C@@H](Cn1ccnc1-c1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC001582813355 1344795643 /nfs/dbraw/zinc/79/56/43/1344795643.db2.gz CXJDWRVBYLQHEQ-JTQLQIEISA-N -1 1 325.159 2.104 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)c2-c2nn[n-]n2)cc1 ZINC001582817259 1344797170 /nfs/dbraw/zinc/79/71/70/1344797170.db2.gz BKCPZEYIAAXPEJ-IHRRRGAJSA-N -1 1 337.387 2.083 20 0 EEADMM CC(=Cc1ccco1)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588772133 1348934425 /nfs/dbraw/zinc/93/44/25/1348934425.db2.gz LEDMZJXNQICOSQ-ZHACJKMWSA-N -1 1 336.355 2.237 20 0 EEADMM CC(=Cc1ccco1)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588772133 1348934427 /nfs/dbraw/zinc/93/44/27/1348934427.db2.gz LEDMZJXNQICOSQ-ZHACJKMWSA-N -1 1 336.355 2.237 20 0 EEADMM CC(C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc2ccccc21 ZINC001589064044 1348956517 /nfs/dbraw/zinc/95/65/17/1348956517.db2.gz ISHNFPGSRRUJOU-UHFFFAOYSA-N -1 1 347.382 2.417 20 0 EEADMM CC(C)(C)C1CCN(NC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001589102424 1348959779 /nfs/dbraw/zinc/95/97/79/1348959779.db2.gz KIFITIXHZIGLMP-UHFFFAOYSA-N -1 1 346.410 2.409 20 0 EEADMM CC(C)(C)C1CCN(NC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001589102424 1348959784 /nfs/dbraw/zinc/95/97/84/1348959784.db2.gz KIFITIXHZIGLMP-UHFFFAOYSA-N -1 1 346.410 2.409 20 0 EEADMM CC(C)(C)CC(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001589109790 1348961337 /nfs/dbraw/zinc/96/13/37/1348961337.db2.gz BOYCCWYYOBNNCK-UHFFFAOYSA-N -1 1 325.372 2.187 20 0 EEADMM CC(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCCC1 ZINC001589668235 1349018209 /nfs/dbraw/zinc/01/82/09/1349018209.db2.gz GEDSVIKNLCXTIJ-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM CC(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCCC1 ZINC001589668235 1349018214 /nfs/dbraw/zinc/01/82/14/1349018214.db2.gz GEDSVIKNLCXTIJ-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM CC(C)c1ccccc1OCCNc1cncc(-c2nnn[n-]2)n1 ZINC001589772430 1349035381 /nfs/dbraw/zinc/03/53/81/1349035381.db2.gz ORJLQHAKEGDVSS-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccccc1OCCNc1cncc(-c2nn[n-]n2)n1 ZINC001589772430 1349035384 /nfs/dbraw/zinc/03/53/84/1349035384.db2.gz ORJLQHAKEGDVSS-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccc(N)cc1 ZINC001589794751 1349043891 /nfs/dbraw/zinc/04/38/91/1349043891.db2.gz GKETXMKZEXETPI-JTQLQIEISA-N -1 1 327.344 2.279 20 0 EEADMM C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccc(N)cc1 ZINC001589794751 1349043896 /nfs/dbraw/zinc/04/38/96/1349043896.db2.gz GKETXMKZEXETPI-JTQLQIEISA-N -1 1 327.344 2.279 20 0 EEADMM C[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)[C@]12C[C@H]1CCCC2 ZINC001589934164 1349067511 /nfs/dbraw/zinc/06/75/11/1349067511.db2.gz IAZLLWHVZZYNPH-WMFXKJRFSA-N -1 1 347.448 2.091 20 0 EEADMM C[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)[C@]12C[C@H]1CCCC2 ZINC001589934164 1349067519 /nfs/dbraw/zinc/06/75/19/1349067519.db2.gz IAZLLWHVZZYNPH-WMFXKJRFSA-N -1 1 347.448 2.091 20 0 EEADMM C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC001589947848 1349074731 /nfs/dbraw/zinc/07/47/31/1349074731.db2.gz ZCPDEGNFWBOTCV-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC001589947848 1349074740 /nfs/dbraw/zinc/07/47/40/1349074740.db2.gz ZCPDEGNFWBOTCV-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1 ZINC001589991707 1349098175 /nfs/dbraw/zinc/09/81/75/1349098175.db2.gz QOXJYLATJUDVER-SSDOTTSWSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1 ZINC001589991707 1349098178 /nfs/dbraw/zinc/09/81/78/1349098178.db2.gz QOXJYLATJUDVER-SSDOTTSWSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@@H](O)[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001589998745 1349100285 /nfs/dbraw/zinc/10/02/85/1349100285.db2.gz YYBYKKHPPLYMPJ-BMIGLBTASA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@H](O)[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001589998745 1349100293 /nfs/dbraw/zinc/10/02/93/1349100293.db2.gz YYBYKKHPPLYMPJ-BMIGLBTASA-N -1 1 337.387 2.068 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2O1 ZINC001590119055 1349162654 /nfs/dbraw/zinc/16/26/54/1349162654.db2.gz XRLYVAWAMMALLQ-POBXSPIYSA-N -1 1 342.812 2.071 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2O1 ZINC001590119055 1349162658 /nfs/dbraw/zinc/16/26/58/1349162658.db2.gz XRLYVAWAMMALLQ-POBXSPIYSA-N -1 1 342.812 2.071 20 0 EEADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1cnc(-c2nnn[n-]2)cn1 ZINC001590180619 1349184195 /nfs/dbraw/zinc/18/41/95/1349184195.db2.gz SKNIUIPKFQAZOW-ZETCQYMHSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1cnc(-c2nn[n-]n2)cn1 ZINC001590180619 1349184196 /nfs/dbraw/zinc/18/41/96/1349184196.db2.gz SKNIUIPKFQAZOW-ZETCQYMHSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216944 1349204419 /nfs/dbraw/zinc/20/44/19/1349204419.db2.gz BQQFBIKFBNHZCE-DQDDRIPDSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216944 1349204423 /nfs/dbraw/zinc/20/44/23/1349204423.db2.gz BQQFBIKFBNHZCE-DQDDRIPDSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274433 1349243656 /nfs/dbraw/zinc/24/36/56/1349243656.db2.gz KOCRLDDJJGXPGY-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274433 1349243660 /nfs/dbraw/zinc/24/36/60/1349243660.db2.gz KOCRLDDJJGXPGY-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1Cc2cc(COC(=O)c3coc(-c4nnn[n-]4)c3)ccc2O1 ZINC001590330475 1349267824 /nfs/dbraw/zinc/26/78/24/1349267824.db2.gz WZDCEBCOPXVGPM-VIFPVBQESA-N -1 1 326.312 2.140 20 0 EEADMM C[C@H]1Cc2cc(COC(=O)c3coc(-c4nn[n-]n4)c3)ccc2O1 ZINC001590330475 1349267832 /nfs/dbraw/zinc/26/78/32/1349267832.db2.gz WZDCEBCOPXVGPM-VIFPVBQESA-N -1 1 326.312 2.140 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590334896 1349270967 /nfs/dbraw/zinc/27/09/67/1349270967.db2.gz DVONWMWNLUMENH-ISVAXAHUSA-N -1 1 327.369 2.180 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590334896 1349270977 /nfs/dbraw/zinc/27/09/77/1349270977.db2.gz DVONWMWNLUMENH-ISVAXAHUSA-N -1 1 327.369 2.180 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590355642 1349282287 /nfs/dbraw/zinc/28/22/87/1349282287.db2.gz TYEOQVUYAGUCON-KXMPLOMGSA-N -1 1 347.448 2.211 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590355642 1349282301 /nfs/dbraw/zinc/28/23/01/1349282301.db2.gz TYEOQVUYAGUCON-KXMPLOMGSA-N -1 1 347.448 2.211 20 0 EEADMM CC[C@@H](C)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590400390 1349302757 /nfs/dbraw/zinc/30/27/57/1349302757.db2.gz QQJZACKWAHBFNS-ZWNOBZJWSA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@@H](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590400390 1349302763 /nfs/dbraw/zinc/30/27/63/1349302763.db2.gz QQJZACKWAHBFNS-ZWNOBZJWSA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@@H](C)C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)OC ZINC001590404641 1349306140 /nfs/dbraw/zinc/30/61/40/1349306140.db2.gz OGEJOBUKEXLYAG-RQJHMYQMSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@H](CSc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590449241 1349330903 /nfs/dbraw/zinc/33/09/03/1349330903.db2.gz ILRBBFMOIJYVCV-LLVKDONJSA-N -1 1 327.417 2.061 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC001590474624 1349347282 /nfs/dbraw/zinc/34/72/82/1349347282.db2.gz LGAKNKKRIQGNKU-SNVBAGLBSA-N -1 1 335.375 2.405 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC001590474624 1349347291 /nfs/dbraw/zinc/34/72/91/1349347291.db2.gz LGAKNKKRIQGNKU-SNVBAGLBSA-N -1 1 335.375 2.405 20 0 EEADMM CCC1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC001590497218 1349355665 /nfs/dbraw/zinc/35/56/65/1349355665.db2.gz AZQDPMVJWRYNCT-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCC1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC001590497218 1349355671 /nfs/dbraw/zinc/35/56/71/1349355671.db2.gz AZQDPMVJWRYNCT-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCOC(=O)Cc1nc(-c2ccc(-c3nnn[n-]3)s2)sc1C ZINC001590766138 1349397863 /nfs/dbraw/zinc/39/78/63/1349397863.db2.gz ITOPOLUDHKRTDA-UHFFFAOYSA-N -1 1 335.414 2.466 20 0 EEADMM CCOC(=O)Cc1nc(-c2ccc(-c3nn[n-]n3)s2)sc1C ZINC001590766138 1349397868 /nfs/dbraw/zinc/39/78/68/1349397868.db2.gz ITOPOLUDHKRTDA-UHFFFAOYSA-N -1 1 335.414 2.466 20 0 EEADMM CCn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)c(C2CC2)n1 ZINC001590951439 1349422304 /nfs/dbraw/zinc/42/23/04/1349422304.db2.gz CLARQMCMUWXVGM-UHFFFAOYSA-N -1 1 344.400 2.379 20 0 EEADMM CN(C(=O)c1cc2ccncc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590992120 1349428158 /nfs/dbraw/zinc/42/81/58/1349428158.db2.gz QIAOAOKWGOPFCN-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CO[C@@H](C)c1nc(CNc2nc(-c3nn[n-]n3)ccc2C)cs1 ZINC001591325729 1349461211 /nfs/dbraw/zinc/46/12/11/1349461211.db2.gz VZDKZOKGFFNISC-VIFPVBQESA-N -1 1 331.405 2.346 20 0 EEADMM COc1cc(CCNc2snc(C)c2-c2nn[n-]n2)cc(OC)c1 ZINC001591524718 1349499101 /nfs/dbraw/zinc/49/91/01/1349499101.db2.gz RHQQMIZWHPBWQK-UHFFFAOYSA-N -1 1 346.416 2.303 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001591643380 1349520016 /nfs/dbraw/zinc/52/00/16/1349520016.db2.gz CGWUACMOEVXVHS-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001591643380 1349520022 /nfs/dbraw/zinc/52/00/22/1349520022.db2.gz CGWUACMOEVXVHS-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM COc1ccccc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591645944 1349522115 /nfs/dbraw/zinc/52/21/15/1349522115.db2.gz FPCFCDXMUYDVES-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccccc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591645944 1349522120 /nfs/dbraw/zinc/52/21/20/1349522120.db2.gz FPCFCDXMUYDVES-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591653863 1349527051 /nfs/dbraw/zinc/52/70/51/1349527051.db2.gz YMUPJVRLQHACMY-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591653863 1349527056 /nfs/dbraw/zinc/52/70/56/1349527056.db2.gz YMUPJVRLQHACMY-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592043141 1349587208 /nfs/dbraw/zinc/58/72/08/1349587208.db2.gz BBMASQIJLVKAOU-WPRPVWTQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592043141 1349587210 /nfs/dbraw/zinc/58/72/10/1349587210.db2.gz BBMASQIJLVKAOU-WPRPVWTQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592227541 1349611596 /nfs/dbraw/zinc/61/15/96/1349611596.db2.gz HYZFJLCHSMYZRC-GFCCVEGCSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592227541 1349611600 /nfs/dbraw/zinc/61/16/00/1349611600.db2.gz HYZFJLCHSMYZRC-GFCCVEGCSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1ccoc1CN(C)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001592282177 1349616224 /nfs/dbraw/zinc/61/62/24/1349616224.db2.gz PMZHUBOATJHLRE-UHFFFAOYSA-N -1 1 333.377 2.197 20 0 EEADMM Cc1ccoc1CN(C)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001592282177 1349616227 /nfs/dbraw/zinc/61/62/27/1349616227.db2.gz PMZHUBOATJHLRE-UHFFFAOYSA-N -1 1 333.377 2.197 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3sccc3s2)c1-c1nnn[n-]1 ZINC001592433212 1349631883 /nfs/dbraw/zinc/63/18/83/1349631883.db2.gz WVVXNTZVMPKGAI-UHFFFAOYSA-N -1 1 345.413 2.437 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3sccc3s2)c1-c1nn[n-]n1 ZINC001592433212 1349631885 /nfs/dbraw/zinc/63/18/85/1349631885.db2.gz WVVXNTZVMPKGAI-UHFFFAOYSA-N -1 1 345.413 2.437 20 0 EEADMM Cc1nnc([C@@H](C)Nc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001592440799 1349632925 /nfs/dbraw/zinc/63/29/25/1349632925.db2.gz MLLKLIHSVMKYLZ-GSVOUGTGSA-N -1 1 328.814 2.310 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1-c1nnn[n-]1 ZINC001592478821 1349635929 /nfs/dbraw/zinc/63/59/29/1349635929.db2.gz HSOBMBOPMSHPSG-PRJMDXOYSA-N -1 1 340.359 2.252 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001592478821 1349635931 /nfs/dbraw/zinc/63/59/31/1349635931.db2.gz HSOBMBOPMSHPSG-PRJMDXOYSA-N -1 1 340.359 2.252 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC001592502456 1349638158 /nfs/dbraw/zinc/63/81/58/1349638158.db2.gz GLUISTSLMBVMRF-QMMMGPOBSA-N -1 1 327.348 2.188 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC001592502456 1349638159 /nfs/dbraw/zinc/63/81/59/1349638159.db2.gz GLUISTSLMBVMRF-QMMMGPOBSA-N -1 1 327.348 2.188 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC001592503407 1349640810 /nfs/dbraw/zinc/64/08/10/1349640810.db2.gz IPYNLNCWSSTIGF-ZKCHVHJHSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1C[C@H](OCC(F)(F)F)C1 ZINC001592503407 1349640815 /nfs/dbraw/zinc/64/08/15/1349640815.db2.gz IPYNLNCWSSTIGF-ZKCHVHJHSA-N -1 1 346.265 2.035 20 0 EEADMM Clc1nc(N2CCCC[C@@H]2c2ncccn2)sc1-c1nnn[n-]1 ZINC001592540887 1349653024 /nfs/dbraw/zinc/65/30/24/1349653024.db2.gz QSBNTQVKGQMQKK-MRVPVSSYSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nc(N2CCCC[C@@H]2c2ncccn2)sc1-c1nn[n-]n1 ZINC001592540887 1349653026 /nfs/dbraw/zinc/65/30/26/1349653026.db2.gz QSBNTQVKGQMQKK-MRVPVSSYSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nsc(NCCOC2CCSCC2)c1-c1nnn[n-]1 ZINC001592541556 1349653859 /nfs/dbraw/zinc/65/38/59/1349653859.db2.gz DJWGQRBNXQBEHD-UHFFFAOYSA-N -1 1 346.869 2.301 20 0 EEADMM Clc1nsc(NCCOC2CCSCC2)c1-c1nn[n-]n1 ZINC001592541556 1349653865 /nfs/dbraw/zinc/65/38/65/1349653865.db2.gz DJWGQRBNXQBEHD-UHFFFAOYSA-N -1 1 346.869 2.301 20 0 EEADMM Cn1nc(NC(=O)c2ccsc2-c2nnn[n-]2)c2ccccc21 ZINC001592594902 1349665594 /nfs/dbraw/zinc/66/55/94/1349665594.db2.gz LROZIZNVJNOVBG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1nc(NC(=O)c2ccsc2-c2nn[n-]n2)c2ccccc21 ZINC001592594902 1349665601 /nfs/dbraw/zinc/66/56/01/1349665601.db2.gz LROZIZNVJNOVBG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2ncncc2-c2nn[n-]n2)CC12CCC2 ZINC001592615735 1349672496 /nfs/dbraw/zinc/67/24/96/1349672496.db2.gz LQFOBOOIXOUNHJ-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM Fc1ccc(CN(c2cc(-c3nnn[n-]3)ncn2)C2CC2)c(F)c1 ZINC001592648814 1349694445 /nfs/dbraw/zinc/69/44/45/1349694445.db2.gz DUXUNIFCTXLQIW-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1ccc(CN(c2cc(-c3nn[n-]n3)ncn2)C2CC2)c(F)c1 ZINC001592648814 1349694451 /nfs/dbraw/zinc/69/44/51/1349694451.db2.gz DUXUNIFCTXLQIW-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)CC12CC3CC(CC(C3)C1)C2 ZINC001592939111 1349727952 /nfs/dbraw/zinc/72/79/52/1349727952.db2.gz ZVOROHFXGCEINT-UHFFFAOYSA-N -1 1 326.404 2.239 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)CC12CC3CC(CC(C3)C1)C2 ZINC001592939111 1349727956 /nfs/dbraw/zinc/72/79/56/1349727956.db2.gz ZVOROHFXGCEINT-UHFFFAOYSA-N -1 1 326.404 2.239 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCCC2(CC2)C1 ZINC001593263667 1349755187 /nfs/dbraw/zinc/75/51/87/1349755187.db2.gz DOFASSJRZHFLSL-UHFFFAOYSA-N -1 1 339.812 2.385 20 0 EEADMM O=C(O[C@@H]1CCc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593280056 1349759924 /nfs/dbraw/zinc/75/99/24/1349759924.db2.gz COGULMPJDFPKOU-GFCCVEGCSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@@H]1CCc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593280056 1349759925 /nfs/dbraw/zinc/75/99/25/1349759925.db2.gz COGULMPJDFPKOU-GFCCVEGCSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(OC1CC2(CC2)C1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593282335 1349761241 /nfs/dbraw/zinc/76/12/41/1349761241.db2.gz SVINZTMVIWUVSZ-UHFFFAOYSA-N -1 1 339.277 2.380 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCc2cc(F)ccc21 ZINC001593306687 1349774958 /nfs/dbraw/zinc/77/49/58/1349774958.db2.gz DLQGWSHNAJFQQR-LLVKDONJSA-N -1 1 345.359 2.236 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCc2cc(F)ccc21 ZINC001593306687 1349774961 /nfs/dbraw/zinc/77/49/61/1349774961.db2.gz DLQGWSHNAJFQQR-LLVKDONJSA-N -1 1 345.359 2.236 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2c(Cl)cccc2C1 ZINC001593348760 1349788657 /nfs/dbraw/zinc/78/86/57/1349788657.db2.gz OVOAYTBSXDVCNN-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2c(Cl)cccc2C1 ZINC001593348760 1349788662 /nfs/dbraw/zinc/78/86/62/1349788662.db2.gz OVOAYTBSXDVCNN-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC001593366979 1349790627 /nfs/dbraw/zinc/79/06/27/1349790627.db2.gz FMSZMWVRHNEILA-UHFFFAOYSA-N -1 1 339.355 2.218 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC001593366979 1349790630 /nfs/dbraw/zinc/79/06/30/1349790630.db2.gz FMSZMWVRHNEILA-UHFFFAOYSA-N -1 1 339.355 2.218 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@H]1CC2(CCC2)CO1 ZINC001593493582 1349818727 /nfs/dbraw/zinc/81/87/27/1349818727.db2.gz BPLCZVGCINICJN-SNVBAGLBSA-N -1 1 343.412 2.202 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccsc1 ZINC001593506631 1349824258 /nfs/dbraw/zinc/82/42/58/1349824258.db2.gz KAFRBWYUYFGTJP-ZCFIWIBFSA-N -1 1 328.810 2.184 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccsc1 ZINC001593506631 1349824262 /nfs/dbraw/zinc/82/42/62/1349824262.db2.gz KAFRBWYUYFGTJP-ZCFIWIBFSA-N -1 1 328.810 2.184 20 0 EEADMM OCCC1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC1 ZINC001593529503 1349831843 /nfs/dbraw/zinc/83/18/43/1349831843.db2.gz KYEYNOSPTJBRDM-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM OCCCOc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001593531002 1349832956 /nfs/dbraw/zinc/83/29/56/1349832956.db2.gz DMFQZLDDDVYGIJ-UHFFFAOYSA-N -1 1 331.401 2.302 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@H]1CCCOC1 ZINC001593580793 1349862178 /nfs/dbraw/zinc/86/21/78/1349862178.db2.gz ZDYZNESNXGMYSN-LLVKDONJSA-N -1 1 325.376 2.039 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@H]1CCCOC1 ZINC001593580793 1349862179 /nfs/dbraw/zinc/86/21/79/1349862179.db2.gz ZDYZNESNXGMYSN-LLVKDONJSA-N -1 1 325.376 2.039 20 0 EEADMM c1c2ccccc2n2c1CN(c1cc(-c3nnn[n-]3)ncn1)CCC2 ZINC001593580414 1349862234 /nfs/dbraw/zinc/86/22/34/1349862234.db2.gz WOJLIVCIMJEBDM-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1c2ccccc2n2c1CN(c1cc(-c3nn[n-]n3)ncn1)CCC2 ZINC001593580414 1349862236 /nfs/dbraw/zinc/86/22/36/1349862236.db2.gz WOJLIVCIMJEBDM-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1nc(N2CCC(OCC3CCCCC3)CC2)cnc1-c1nnn[n-]1 ZINC001593590665 1349868693 /nfs/dbraw/zinc/86/86/93/1349868693.db2.gz BISNZGOMGYASID-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM c1nc(N2CCC(OCC3CCCCC3)CC2)cnc1-c1nn[n-]n1 ZINC001593590665 1349868700 /nfs/dbraw/zinc/86/87/00/1349868700.db2.gz BISNZGOMGYASID-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM Cc1cc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc(C)c1O ZINC001600191331 1349988654 /nfs/dbraw/zinc/98/86/54/1349988654.db2.gz GJNVYYVWJIVAFK-TXKKKEFDSA-N -1 1 333.384 2.006 20 0 EEADMM Cc1cc(CNCc2ccncc2OC[C@@H]2CCOC2)[nH]c1C(=O)[O-] ZINC001600209271 1349993293 /nfs/dbraw/zinc/99/32/93/1349993293.db2.gz CPDBQNDIHTVJKO-CYBMUJFWSA-N -1 1 345.399 2.121 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(Cl)cc2C)c1C(=O)[O-] ZINC001600220954 1349996073 /nfs/dbraw/zinc/99/60/73/1349996073.db2.gz QURYFFDZKYOBID-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM Cc1cc(=NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cc(C)[nH]1 ZINC001600284167 1350011326 /nfs/dbraw/zinc/01/13/26/1350011326.db2.gz SPWSFSAUUIELSR-UHFFFAOYSA-N -1 1 348.424 2.283 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@](CO)(C(C)C)C1 ZINC001600351495 1350026640 /nfs/dbraw/zinc/02/66/40/1350026640.db2.gz BOWKOKDAXAFDTC-KUHUBIRLSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC001600380051 1350035013 /nfs/dbraw/zinc/03/50/13/1350035013.db2.gz BFTHNHWXGCJYFW-QGZVFWFLSA-N -1 1 328.368 2.487 20 0 EEADMM Cc1ccc(CC2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1C ZINC001600403883 1350041683 /nfs/dbraw/zinc/04/16/83/1350041683.db2.gz BPIZDTQDDRLPNJ-UHFFFAOYSA-N -1 1 332.444 2.149 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001600404109 1350041703 /nfs/dbraw/zinc/04/17/03/1350041703.db2.gz HYHWUQWDWNPJHY-AEFFLSMTSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1ccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c(=O)n1C ZINC001600420289 1350047232 /nfs/dbraw/zinc/04/72/32/1350047232.db2.gz VBLLSFHBZHNZHH-CYBMUJFWSA-N -1 1 330.384 2.008 20 0 EEADMM Cc1ccc2nc(CNC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC001600488716 1350064033 /nfs/dbraw/zinc/06/40/33/1350064033.db2.gz FKIMAUCFOZUJRG-NWDGAFQWSA-N -1 1 330.388 2.314 20 0 EEADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600496578 1350065450 /nfs/dbraw/zinc/06/54/50/1350065450.db2.gz NVUOKHMWBXGMHN-PBHICJAKSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1ccc2cc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)ccc2n1 ZINC001600497713 1350066584 /nfs/dbraw/zinc/06/65/84/1350066584.db2.gz AHPGCQPEKUMMEE-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@H]2CCN2C(C)(C)C)C(=O)[O-])c1 ZINC001600526655 1350073585 /nfs/dbraw/zinc/07/35/85/1350073585.db2.gz DNHMIMOUOSGASX-HZPDHXFCSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2cn(CC(=O)[O-])nn2)c1 ZINC001600544232 1350078368 /nfs/dbraw/zinc/07/83/68/1350078368.db2.gz FGQJBAQXSHLPSI-IAGOWNOFSA-N -1 1 344.415 2.151 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)CCC1 ZINC001600573727 1350087063 /nfs/dbraw/zinc/08/70/63/1350087063.db2.gz LAPJZGWUIFMDGX-INIZCTEOSA-N -1 1 344.455 2.424 20 0 EEADMM Cc1cn2c(nc(CN(C)[C@H](C(=O)[O-])c3ccccc3)cc2=O)s1 ZINC001600614230 1350098361 /nfs/dbraw/zinc/09/83/61/1350098361.db2.gz VIRFUTKYGDKCKP-HNNXBMFYSA-N -1 1 343.408 2.322 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001600643758 1350106715 /nfs/dbraw/zinc/10/67/15/1350106715.db2.gz ZLFOOYCYEIKYJA-UHFFFAOYSA-N -1 1 344.302 2.392 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N1CCN(C(C)C)CC1 ZINC001600646976 1350106902 /nfs/dbraw/zinc/10/69/02/1350106902.db2.gz GFRICCISUHIYTH-LBPRGKRZSA-N -1 1 339.461 2.108 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001600675445 1350114713 /nfs/dbraw/zinc/11/47/13/1350114713.db2.gz ZWRNIHHNCUCQAA-UHFFFAOYSA-N -1 1 346.387 2.407 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(Cn2cncn2)cc1 ZINC001600831268 1350147355 /nfs/dbraw/zinc/14/73/55/1350147355.db2.gz NFZWTEBRZZBGLP-UHFFFAOYSA-N -1 1 326.356 2.216 20 0 EEADMM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001600833207 1350147766 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EEADMM CCCC[C@H](CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372241915 1375879434 /nfs/dbraw/zinc/87/94/34/1375879434.db2.gz CBOGHZHSRNOTRK-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1sc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])cc1C ZINC001372839856 1376238029 /nfs/dbraw/zinc/23/80/29/1376238029.db2.gz ZJLFDGHXSKRACQ-LLVKDONJSA-N -1 1 347.440 2.268 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001374375248 1376745677 /nfs/dbraw/zinc/74/56/77/1376745677.db2.gz JUKMIBAHMWBTSB-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)[C@H](CNC(=O)C1(C)CCCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001374424552 1376801861 /nfs/dbraw/zinc/80/18/61/1376801861.db2.gz JNTVDSXGLZEIBW-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM CC1(CC(=O)N2CCC(CCNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001375417408 1377714775 /nfs/dbraw/zinc/71/47/75/1377714775.db2.gz ISPRVHQWIZUYGO-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001375890561 1378113649 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C[C@H](NC(=O)CC1CCC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385540547 1385662638 /nfs/dbraw/zinc/66/26/38/1385662638.db2.gz WGMPHMIGMIAEPR-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)C12CCC(CC1)C2 ZINC001387501912 1386784216 /nfs/dbraw/zinc/78/42/16/1386784216.db2.gz WEXFNIXPRPRCKZ-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM CC[C@H](CNC(=O)CC1CC1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001387988735 1387125249 /nfs/dbraw/zinc/12/52/49/1387125249.db2.gz AVSVQWNIRQEHHH-CYBMUJFWSA-N -1 1 348.447 2.039 20 0 EEADMM O=C(CCC1CCCC1)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001391063702 1389008182 /nfs/dbraw/zinc/00/81/82/1389008182.db2.gz FMQJFSLEFQGWSQ-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(CCC1CCCCC1)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001391780150 1389595283 /nfs/dbraw/zinc/59/52/83/1389595283.db2.gz VSOJPTCYNHKFTM-UHFFFAOYSA-N -1 1 349.479 2.389 20 0 EEADMM CC[C@H](C)CC(=O)N1CC2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC001395391652 1390818383 /nfs/dbraw/zinc/81/83/83/1390818383.db2.gz WCCMVPMYMNOBBL-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CCN(C(=O)[C@H](C)C(C)(F)F)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001396299725 1390935420 /nfs/dbraw/zinc/93/54/20/1390935420.db2.gz AAMRYBYIBJBHME-MNOVXSKESA-N -1 1 343.374 2.045 20 0 EEADMM CCCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])CC1 ZINC001397108753 1391085628 /nfs/dbraw/zinc/08/56/28/1391085628.db2.gz UXZZWPNBTYOOAE-OKILXGFUSA-N -1 1 343.427 2.183 20 0 EEADMM CCC[C@H](CC)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001398169416 1391767735 /nfs/dbraw/zinc/76/77/35/1391767735.db2.gz IXHYIHPDKQQXNP-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001399476016 1395138128 /nfs/dbraw/zinc/13/81/28/1395138128.db2.gz OMCYBRNCRSURLV-ZIAGYGMSSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H](CNC(=O)CCCc1cccs1)NC(=O)c1ncccc1[O-] ZINC001400167059 1396001520 /nfs/dbraw/zinc/00/15/20/1396001520.db2.gz GTFPXIRZQSFIHY-LBPRGKRZSA-N -1 1 347.440 2.106 20 0 EEADMM CCc1cnc(CNC2(CNC(=O)c3ncccc3[O-])CCCC2)o1 ZINC001401176673 1397008943 /nfs/dbraw/zinc/00/89/43/1397008943.db2.gz LZQVXTCOJOFHHY-UHFFFAOYSA-N -1 1 344.415 2.170 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)CC1CCC1 ZINC001423719816 1400767265 /nfs/dbraw/zinc/76/72/65/1400767265.db2.gz CQRYYWFMEOLNHJ-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001424381547 1401082057 /nfs/dbraw/zinc/08/20/57/1401082057.db2.gz ILJBHCVMLGUNIS-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM CCOC(=O)[C@@](C)(C[N-]S(=O)(=O)c1cc(C)ns1)CC(C)C ZINC001424716055 1401238882 /nfs/dbraw/zinc/23/88/82/1401238882.db2.gz JJUHTUVTPHDCTE-CQSZACIVSA-N -1 1 348.490 2.345 20 0 EEADMM CCCC1(C(=O)N(C)C2CC(NC(=O)c3ncccc3[O-])C2)CC1 ZINC001426160078 1401924631 /nfs/dbraw/zinc/92/46/31/1401924631.db2.gz KBNYCZHJFFAGSV-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001426615677 1402119659 /nfs/dbraw/zinc/11/96/59/1402119659.db2.gz IYNFZVXIFWHKAC-LLVKDONJSA-N -1 1 347.440 2.356 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001433643631 1403419345 /nfs/dbraw/zinc/41/93/45/1403419345.db2.gz BEBMMCKNFKIVHR-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576540741 1403582240 /nfs/dbraw/zinc/58/22/40/1403582240.db2.gz FSLNLFAIHQCJMI-AOOOYVTPSA-N -1 1 349.464 2.127 20 0 EEADMM CCOc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001578402023 1403747220 /nfs/dbraw/zinc/74/72/20/1403747220.db2.gz GSEWJEOEXLTCST-UHFFFAOYSA-N -1 1 346.368 2.033 20 0 EEADMM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cnn1CC(C)C ZINC001580543735 1403861039 /nfs/dbraw/zinc/86/10/39/1403861039.db2.gz QUTFCQKYVDRTJR-UHFFFAOYSA-N -1 1 345.432 2.019 20 0 EEADMM COCCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@@H]1CC[C@@H](C)C1 ZINC001591419983 1403910486 /nfs/dbraw/zinc/91/04/86/1403910486.db2.gz DDZODFCBPHQJRQ-ZYHUDNBSSA-N -1 1 333.392 2.045 20 0 EEADMM COCCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)[C@@H]1CC[C@@H](C)C1 ZINC001591419983 1403910487 /nfs/dbraw/zinc/91/04/87/1403910487.db2.gz DDZODFCBPHQJRQ-ZYHUDNBSSA-N -1 1 333.392 2.045 20 0 EEADMM Cc1cc([C@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C)o1 ZINC001591941399 1403974706 /nfs/dbraw/zinc/97/47/06/1403974706.db2.gz VEORJIBHMOKSJU-QMMMGPOBSA-N -1 1 347.404 2.093 20 0 EEADMM Cc1cc([C@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C)o1 ZINC001591941399 1403974713 /nfs/dbraw/zinc/97/47/13/1403974713.db2.gz VEORJIBHMOKSJU-QMMMGPOBSA-N -1 1 347.404 2.093 20 0 EEADMM Cc1nsc(N[C@@H]2COc3cccc(C)c3C2)c1-c1nn[n-]n1 ZINC001592244269 1404014372 /nfs/dbraw/zinc/01/43/72/1404014372.db2.gz RCRCDVIPVXMPOV-JTQLQIEISA-N -1 1 328.401 2.356 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c1-c1nnn[n-]1 ZINC001592480524 1404701866 /nfs/dbraw/zinc/70/18/66/1404701866.db2.gz YPZNYXLYVJRPNI-MEBBXXQBSA-N -1 1 344.375 2.455 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c1-c1nn[n-]n1 ZINC001592480524 1404701870 /nfs/dbraw/zinc/70/18/70/1404701870.db2.gz YPZNYXLYVJRPNI-MEBBXXQBSA-N -1 1 344.375 2.455 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001592499302 1404702686 /nfs/dbraw/zinc/70/26/86/1404702686.db2.gz KKPJJVRIERXWOU-STQMWFEESA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001592499302 1404702690 /nfs/dbraw/zinc/70/26/90/1404702690.db2.gz KKPJJVRIERXWOU-STQMWFEESA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCc1cccc(F)c1 ZINC001592500606 1404704847 /nfs/dbraw/zinc/70/48/47/1404704847.db2.gz GFMQGOHLTGASSF-UHFFFAOYSA-N -1 1 329.335 2.270 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCc1cccc(F)c1 ZINC001592500606 1404704852 /nfs/dbraw/zinc/70/48/52/1404704852.db2.gz GFMQGOHLTGASSF-UHFFFAOYSA-N -1 1 329.335 2.270 20 0 EEADMM Fc1ccccc1CSCCNc1ncncc1-c1nn[n-]n1 ZINC001592662006 1404707881 /nfs/dbraw/zinc/70/78/81/1404707881.db2.gz YPUZJZYAICMSPM-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593024797 1404735008 /nfs/dbraw/zinc/73/50/08/1404735008.db2.gz ODRRSWOYXSZVOZ-UHFFFAOYSA-N -1 1 345.309 2.200 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593024797 1404735011 /nfs/dbraw/zinc/73/50/11/1404735011.db2.gz ODRRSWOYXSZVOZ-UHFFFAOYSA-N -1 1 345.309 2.200 20 0 EEADMM CCOc1cccc([C@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001605702556 1404750431 /nfs/dbraw/zinc/75/04/31/1404750431.db2.gz PYNCROWFJODGEI-LBPRGKRZSA-N -1 1 343.383 2.468 20 0 EEADMM Cc1nc(NC[C@@H](C)c2nc3ccccc3o2)cc(-c2nnn[n-]2)n1 ZINC001606067291 1404761438 /nfs/dbraw/zinc/76/14/38/1404761438.db2.gz NZJIYJBLFJGXBB-SECBINFHSA-N -1 1 336.359 2.322 20 0 EEADMM Cc1nc(NC[C@@H](C)c2nc3ccccc3o2)cc(-c2nn[n-]n2)n1 ZINC001606067291 1404761440 /nfs/dbraw/zinc/76/14/40/1404761440.db2.gz NZJIYJBLFJGXBB-SECBINFHSA-N -1 1 336.359 2.322 20 0 EEADMM CN(CCc1nc(-c2ccccc2)no1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606141794 1404767003 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CCc1c(C(=O)N2CCC(c3nn[n-]n3)CC2)cnn1C1CCCC1 ZINC000913745342 794212210 /nfs/dbraw/zinc/21/22/10/794212210.db2.gz ZJIBKEFIQPWHRS-UHFFFAOYSA-N -1 1 343.435 2.094 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]2C)c1[O-] ZINC001079574188 794951593 /nfs/dbraw/zinc/95/15/93/794951593.db2.gz VQCZNGXMMUOCOH-IFUGULHKSA-N -1 1 346.406 2.374 20 0 EEADMM C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079609599 794987492 /nfs/dbraw/zinc/98/74/92/794987492.db2.gz NOMUNNFZJPLWMW-IAQYHMDHSA-N -1 1 347.365 2.316 20 0 EEADMM CCC(CC)(CC)C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001036856201 795534393 /nfs/dbraw/zinc/53/43/93/795534393.db2.gz NZSYWDDPYMPGPX-UONOGXRCSA-N -1 1 349.479 2.150 20 0 EEADMM Cc1nc(C)c(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)o1 ZINC000993235814 796154195 /nfs/dbraw/zinc/15/41/95/796154195.db2.gz AAFZGODSUBYJNG-GXTWGEPZSA-N -1 1 344.415 2.175 20 0 EEADMM CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCP(=O)([O-])[O-])C2 ZINC001172080646 796865784 /nfs/dbraw/zinc/86/57/84/796865784.db2.gz AVTDBLMDHCUMME-CLLJXQQHSA-N -1 1 348.380 2.074 20 0 EEADMM CC(C)CCC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081866912 796928626 /nfs/dbraw/zinc/92/86/26/796928626.db2.gz YMTKYDDJHZQQHK-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2cccnc21 ZINC000921841720 797057966 /nfs/dbraw/zinc/05/79/66/797057966.db2.gz KNWHKWPPKBMQCV-NSHDSACASA-N -1 1 340.836 2.133 20 0 EEADMM C/C(=C\C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001082022785 797081926 /nfs/dbraw/zinc/08/19/26/797081926.db2.gz ODGWODGWXRZAFM-FQNOHDAGSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(C(=O)N(C)C)ccc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001212731377 797473371 /nfs/dbraw/zinc/47/33/71/797473371.db2.gz CQJQDHXUOZFRHI-UHFFFAOYSA-N -1 1 333.413 2.080 20 0 EEADMM Nc1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203331798 806597793 /nfs/dbraw/zinc/59/77/93/806597793.db2.gz JEEJTCCYARLKPE-UHFFFAOYSA-N -1 1 346.286 2.185 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000994463160 798034630 /nfs/dbraw/zinc/03/46/30/798034630.db2.gz XRBLHSYGZJGRLH-MGPQQGTHSA-N -1 1 345.443 2.048 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])cc3)cc2CO)CC1 ZINC001176712644 798552192 /nfs/dbraw/zinc/55/21/92/798552192.db2.gz MBLJFDMCQYOAEO-UHFFFAOYSA-N -1 1 341.411 2.373 20 0 EEADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000821004050 798600507 /nfs/dbraw/zinc/60/05/07/798600507.db2.gz MMDBHXGXNOFOEG-JOYOIKCWSA-N -1 1 333.413 2.363 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=S)N[C@@H](C)Cc2ccccc2)n1 ZINC000786086709 806679846 /nfs/dbraw/zinc/67/98/46/806679846.db2.gz URCYVYSKNXGWIG-NSHDSACASA-N -1 1 331.445 2.216 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@]1(C)C=CCC1)C(=O)c1ncccc1[O-] ZINC001002825633 798668083 /nfs/dbraw/zinc/66/80/83/798668083.db2.gz GGOBZCPHJWTEAB-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM O=C([N-]Cc1cn(CC(F)(F)F)cn1)C(F)(F)c1ccccn1 ZINC001177304743 798834932 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2.179 20 0 EEADMM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)NCc1cnc[nH]1 ZINC001184115175 801872886 /nfs/dbraw/zinc/87/28/86/801872886.db2.gz XKYLEOINMDMTRZ-UHFFFAOYSA-N -1 1 333.775 2.302 20 0 EEADMM O=C(CC(=O)C(F)(F)F)Nc1nc(Br)ccc1[O-] ZINC001184460736 802042818 /nfs/dbraw/zinc/04/28/18/802042818.db2.gz RKYBLQTUQRNJBW-UHFFFAOYSA-N -1 1 327.056 2.010 20 0 EEADMM CC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184670190 802104613 /nfs/dbraw/zinc/10/46/13/802104613.db2.gz OALFXBYINCEWPF-UHFFFAOYSA-N -1 1 334.353 2.092 20 0 EEADMM Cc1conc1CN[C@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001004828000 802997606 /nfs/dbraw/zinc/99/76/06/802997606.db2.gz ZMBUUPMSPYIGOR-HIFRSBDPSA-N -1 1 344.415 2.257 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1c(F)cc(F)cc1F ZINC000073998024 803083474 /nfs/dbraw/zinc/08/34/74/803083474.db2.gz VJKWEWSMIQZQFT-UHFFFAOYSA-N -1 1 330.335 2.350 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001004866531 803103873 /nfs/dbraw/zinc/10/38/73/803103873.db2.gz PZUFJLZMCBIWRD-ZIAGYGMSSA-N -1 1 349.479 2.340 20 0 EEADMM CC(C)Cc1nsc(NC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001108322812 803311585 /nfs/dbraw/zinc/31/15/85/803311585.db2.gz CFIRPCFLONJAGU-JTQLQIEISA-N -1 1 335.433 2.068 20 0 EEADMM CCC(CC)[C@@H](CC[N-]S(=O)(=O)N=S(=O)(CC)CC)OC ZINC000866996890 803804122 /nfs/dbraw/zinc/80/41/22/803804122.db2.gz ZBQQINWYIILJDZ-CYBMUJFWSA-N -1 1 342.527 2.170 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]CC2([C@H](O)c3ccccc3)CC2)sn1 ZINC000867000829 803870498 /nfs/dbraw/zinc/87/04/98/803870498.db2.gz NJVVFUHDLSSHDA-CQSZACIVSA-N -1 1 338.454 2.244 20 0 EEADMM O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(Cl)nc1F ZINC000867008988 804047688 /nfs/dbraw/zinc/04/76/88/804047688.db2.gz NHPQUEPSGDDGFD-AXTRIDKLSA-N -1 1 346.811 2.110 20 0 EEADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)NC(C)(C)C ZINC000787953532 807312357 /nfs/dbraw/zinc/31/23/57/807312357.db2.gz AIRHWGUNVPJRQX-SNVBAGLBSA-N -1 1 349.362 2.177 20 0 EEADMM CC(C)c1nsc(N[C@@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983649 807763198 /nfs/dbraw/zinc/76/31/98/807763198.db2.gz OKVUEPCWVJXXER-ZJUUUORDSA-N -1 1 335.433 2.381 20 0 EEADMM Cc1ccc(NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])nn1 ZINC001113416687 808947670 /nfs/dbraw/zinc/94/76/70/808947670.db2.gz WEFJOZHMVUPYDA-UHFFFAOYSA-N -1 1 329.404 2.096 20 0 EEADMM CN(C)c1cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c2ccccc2n1 ZINC000791163810 809088141 /nfs/dbraw/zinc/08/81/41/809088141.db2.gz FERZPAYFXDEIPQ-UHFFFAOYSA-N -1 1 346.394 2.208 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)ccnc1-2 ZINC000791167400 809101351 /nfs/dbraw/zinc/10/13/51/809101351.db2.gz OZYXXQMYSGKFTH-WDEREUQCSA-N -1 1 328.322 2.362 20 0 EEADMM CC(C)(C)n1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)nn1 ZINC000791640537 809340241 /nfs/dbraw/zinc/34/02/41/809340241.db2.gz ZFBJLYRYXWRYKJ-UHFFFAOYSA-N -1 1 343.339 2.202 20 0 EEADMM COC(=O)c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)c2cc[nH]c2c1C ZINC001170230661 809848404 /nfs/dbraw/zinc/84/84/04/809848404.db2.gz WSTPKWCAGCMBNW-UHFFFAOYSA-N -1 1 338.327 2.378 20 0 EEADMM CC(C)c1cc(NC2(CNC(=O)c3ncccc3[O-])CC2)ncn1 ZINC001110098121 809885825 /nfs/dbraw/zinc/88/58/25/809885825.db2.gz STSJOJQICUUYLF-UHFFFAOYSA-N -1 1 327.388 2.075 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c(C)coc2C)cc1 ZINC000792778714 810011641 /nfs/dbraw/zinc/01/16/41/810011641.db2.gz UPHZWZMWLUFNNE-UHFFFAOYSA-N -1 1 331.324 2.018 20 0 EEADMM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc1 ZINC000793119057 810152176 /nfs/dbraw/zinc/15/21/76/810152176.db2.gz XWCRXDSXOOHWDE-UHFFFAOYSA-N -1 1 343.408 2.406 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3cc(-c4ccccc4)on3)ccnc1-2 ZINC000806480514 811891749 /nfs/dbraw/zinc/89/17/49/811891749.db2.gz OHMCTYUHRCWNDA-UHFFFAOYSA-N -1 1 348.366 2.319 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccc(Cl)cc3F)ccnc1-2 ZINC000806489048 811897572 /nfs/dbraw/zinc/89/75/72/811897572.db2.gz VRQHXFWDELZEQV-UHFFFAOYSA-N -1 1 333.754 2.456 20 0 EEADMM CN(C(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1nn[n-]n1 ZINC001130969272 812246730 /nfs/dbraw/zinc/24/67/30/812246730.db2.gz ITYAXZPKYIXWFW-UHFFFAOYSA-N -1 1 334.383 2.039 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000780451619 939123769 /nfs/dbraw/zinc/12/37/69/939123769.db2.gz PKZYUYZEVVJFCB-CQSZACIVSA-N -1 1 337.395 2.125 20 0 EEADMM Cc1c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])sc2cccc(F)c12 ZINC000323943914 971063121 /nfs/dbraw/zinc/06/31/21/971063121.db2.gz KWWCGRFLOMIJGS-NSHDSACASA-N -1 1 347.371 2.498 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826344932 948015775 /nfs/dbraw/zinc/01/57/75/948015775.db2.gz WYLYESKRFDEAEK-LBPRGKRZSA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826344932 948015783 /nfs/dbraw/zinc/01/57/83/948015783.db2.gz WYLYESKRFDEAEK-LBPRGKRZSA-N -1 1 344.400 2.131 20 0 EEADMM CC(=O)N1CCC[C@H](C)[C@H]1CCNc1snc(C)c1-c1nn[n-]n1 ZINC001573442671 948297161 /nfs/dbraw/zinc/29/71/61/948297161.db2.gz JUXFQDGWRVZFCD-JOYOIKCWSA-N -1 1 349.464 2.081 20 0 EEADMM O=c1[nH]c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2[nH]1 ZINC000826501055 948417520 /nfs/dbraw/zinc/41/75/20/948417520.db2.gz XMRNSPQPKXFRKC-UHFFFAOYSA-N -1 1 342.750 2.109 20 0 EEADMM O=c1[nH]c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2[nH]1 ZINC000826501055 948417525 /nfs/dbraw/zinc/41/75/25/948417525.db2.gz XMRNSPQPKXFRKC-UHFFFAOYSA-N -1 1 342.750 2.109 20 0 EEADMM O=[S@](CCSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001570928303 948729799 /nfs/dbraw/zinc/72/97/99/948729799.db2.gz FSSIQKZNYMBGJA-JOCHJYFZSA-N -1 1 331.426 2.162 20 0 EEADMM O=[S@](CCSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001570928303 948729804 /nfs/dbraw/zinc/72/98/04/948729804.db2.gz FSSIQKZNYMBGJA-JOCHJYFZSA-N -1 1 331.426 2.162 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2ccc(C)c(Cl)c2)c1-c1nn[n-]n1 ZINC001570928608 948737263 /nfs/dbraw/zinc/73/72/63/948737263.db2.gz IDTDXEWLHJTZFU-UHFFFAOYSA-N -1 1 331.767 2.041 20 0 EEADMM CCCOc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001570934137 948925535 /nfs/dbraw/zinc/92/55/35/948925535.db2.gz BCASACIJMRAFKG-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM CCCOc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001570934137 948925539 /nfs/dbraw/zinc/92/55/39/948925539.db2.gz BCASACIJMRAFKG-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM Cc1ccc(CCCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001570935680 948993822 /nfs/dbraw/zinc/99/38/22/948993822.db2.gz TYESKDVHZKYPHF-UHFFFAOYSA-N -1 1 336.399 2.209 20 0 EEADMM Cc1ccc(CCCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001570935680 948993836 /nfs/dbraw/zinc/99/38/36/948993836.db2.gz TYESKDVHZKYPHF-UHFFFAOYSA-N -1 1 336.399 2.209 20 0 EEADMM CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001589585481 949044236 /nfs/dbraw/zinc/04/42/36/949044236.db2.gz JRHQYINVGBOQSH-BBWFWOEESA-N -1 1 330.428 2.393 20 0 EEADMM CCOC(=O)c1cccc(Sc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001570940101 949169337 /nfs/dbraw/zinc/16/93/37/949169337.db2.gz KMPSGMNOKTWHML-UHFFFAOYSA-N -1 1 342.384 2.293 20 0 EEADMM CCOC(=O)c1cccc(Sc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001570940101 949169349 /nfs/dbraw/zinc/16/93/49/949169349.db2.gz KMPSGMNOKTWHML-UHFFFAOYSA-N -1 1 342.384 2.293 20 0 EEADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H](C)CC(C)C ZINC001570941737 949244171 /nfs/dbraw/zinc/24/41/71/949244171.db2.gz ZYGSYXNVEBBQPZ-SNVBAGLBSA-N -1 1 341.412 2.027 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H](CF)c1ccc(F)cc1 ZINC001570944572 949428607 /nfs/dbraw/zinc/42/86/07/949428607.db2.gz UOOGEVXVIPBCPQ-LBPRGKRZSA-N -1 1 345.313 2.233 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H](CF)c1ccc(F)cc1 ZINC001570944572 949428614 /nfs/dbraw/zinc/42/86/14/949428614.db2.gz UOOGEVXVIPBCPQ-LBPRGKRZSA-N -1 1 345.313 2.233 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC001595256351 949622593 /nfs/dbraw/zinc/62/25/93/949622593.db2.gz XLXQIIRGYHEAEG-AWEZNQCLSA-N -1 1 347.415 2.103 20 0 EEADMM CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@@H](C)C(=O)[O-] ZINC001589707217 950305747 /nfs/dbraw/zinc/30/57/47/950305747.db2.gz PEDDSRAEJNIBCJ-AWEZNQCLSA-N -1 1 348.447 2.074 20 0 EEADMM C[C@H]1CCc2c(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)csc2C1 ZINC001576220362 950832829 /nfs/dbraw/zinc/83/28/29/950832829.db2.gz XHYZCIUGXHYLHA-QMMMGPOBSA-N -1 1 343.416 2.039 20 0 EEADMM C[C@H]1CCc2c(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)csc2C1 ZINC001576220362 950832849 /nfs/dbraw/zinc/83/28/49/950832849.db2.gz XHYZCIUGXHYLHA-QMMMGPOBSA-N -1 1 343.416 2.039 20 0 EEADMM O=C([O-])CCCCNC(=O)c1cc(Br)cc(F)c1O ZINC001595043435 951434562 /nfs/dbraw/zinc/43/45/62/951434562.db2.gz DXPVHSIURCMJQZ-UHFFFAOYSA-N -1 1 334.141 2.279 20 0 EEADMM O=C([O-])CCN(Cc1nc(Br)cs1)C1CCOCC1 ZINC001595056051 951500445 /nfs/dbraw/zinc/50/04/45/951500445.db2.gz SSBRYCBDVHWLIY-UHFFFAOYSA-N -1 1 349.250 2.361 20 0 EEADMM O=C([O-])[C@H](C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC001594831827 953973678 /nfs/dbraw/zinc/97/36/78/953973678.db2.gz KBSJQIRIPGYHHQ-IRXDYDNUSA-N -1 1 348.418 2.060 20 0 EEADMM CN(CCCN(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1)Cc1ccco1 ZINC001593751682 954421321 /nfs/dbraw/zinc/42/13/21/954421321.db2.gz QFHZJCFRWTXCFG-SFHVURJKSA-N -1 1 334.416 2.371 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001593759788 954474032 /nfs/dbraw/zinc/47/40/32/954474032.db2.gz KNJJIRWKCXNKEX-CSKARUKUSA-N -1 1 340.379 2.334 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC001593786968 954711263 /nfs/dbraw/zinc/71/12/63/954711263.db2.gz MPSSQTYFFXSFIB-UHFFFAOYSA-N -1 1 348.447 2.061 20 0 EEADMM CC[C@@H](C(=O)[O-])n1cc([C@@H](N)c2ccc(Br)cc2)nn1 ZINC001589447085 954773006 /nfs/dbraw/zinc/77/30/06/954773006.db2.gz TWGXQMRTHXNVHY-RYUDHWBXSA-N -1 1 339.193 2.124 20 0 EEADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CC1CCCCC1 ZINC000852736039 955847043 /nfs/dbraw/zinc/84/70/43/955847043.db2.gz KHGAGNPOOLFFLL-VXGBXAGGSA-N -1 1 336.354 2.163 20 0 EEADMM C[C@@](O)(CNCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001589148666 956324186 /nfs/dbraw/zinc/32/41/86/956324186.db2.gz WVYGCTJOIRFJEC-CYBMUJFWSA-N -1 1 328.162 2.121 20 0 EEADMM C[C@H](c1nc2ccccc2c(=O)[nH]1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589182568 956538657 /nfs/dbraw/zinc/53/86/57/956538657.db2.gz LLIQISZMPYJUSG-DDTOSNHZSA-N -1 1 327.384 2.439 20 0 EEADMM COC[C@]1(C(=O)[O-])CN(Cc2cccc(CC3CCC3)c2)CCO1 ZINC001593983359 956729145 /nfs/dbraw/zinc/72/91/45/956729145.db2.gz GSHZGORZRKFTQU-IBGZPJMESA-N -1 1 333.428 2.331 20 0 EEADMM Cc1cccc([C@@H](NC(=O)CN(C)CCc2ccccc2)C(=O)[O-])c1 ZINC001594391371 958727897 /nfs/dbraw/zinc/72/78/97/958727897.db2.gz CRGAAQQLIHBAQE-LJQANCHMSA-N -1 1 340.423 2.411 20 0 EEADMM Cc1cccc2nc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)[nH]c21 ZINC001594411150 958949532 /nfs/dbraw/zinc/94/95/32/958949532.db2.gz JOBOQDYVFYWVDI-UHFFFAOYSA-N -1 1 339.351 2.265 20 0 EEADMM COc1ccc(C(=O)[O-])c(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000392745950 972517451 /nfs/dbraw/zinc/51/74/51/972517451.db2.gz NWTPGBDRNORIER-UHFFFAOYSA-N -1 1 347.415 2.486 20 0 EEADMM Cc1n[nH]c(Br)c1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001574416240 961319492 /nfs/dbraw/zinc/31/94/92/961319492.db2.gz XDHVHDBOZDTFOX-SECBINFHSA-N -1 1 344.209 2.340 20 0 EEADMM CC(C)N1CCC[C@@H]1C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001571190670 962246852 /nfs/dbraw/zinc/24/68/52/962246852.db2.gz BDNHJMOLBJZLSV-GFCCVEGCSA-N -1 1 330.388 2.083 20 0 EEADMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000314197577 963723618 /nfs/dbraw/zinc/72/36/18/963723618.db2.gz HRJUPXUTZQQHRG-UHFFFAOYSA-N -1 1 342.354 2.464 20 0 EEADMM COC(=O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000314225453 963728160 /nfs/dbraw/zinc/72/81/60/963728160.db2.gz FMSKOSLCLUOMRM-UHFFFAOYSA-N -1 1 341.366 2.034 20 0 EEADMM O=C([O-])[C@@H]1CCCN(Cc2cn3ccc(Br)cc3n2)C1 ZINC000874050373 969367886 /nfs/dbraw/zinc/36/78/86/969367886.db2.gz PCCQAFXRHGNUTM-SNVBAGLBSA-N -1 1 338.205 2.393 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCN1Cc1ccccc1 ZINC000902152694 969521652 /nfs/dbraw/zinc/52/16/52/969521652.db2.gz PIGKKBOFHWWYPF-ROUUACIJSA-N -1 1 344.455 2.466 20 0 EEADMM CC1(C(=O)[O-])CCN(CN2CC[C@H](Cc3ccccc3)C2=O)CC1 ZINC001603306746 972585880 /nfs/dbraw/zinc/58/58/80/972585880.db2.gz HOYMFZINCOQSQW-MRXNPFEDSA-N -1 1 330.428 2.222 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001603404947 973056992 /nfs/dbraw/zinc/05/69/92/973056992.db2.gz JRIHAMFVXDATBQ-UAGQMJEPSA-N -1 1 332.444 2.309 20 0 EEADMM CCCCc1nc2ccc(NC(=O)[C@@]3(C(=O)[O-])CCCO3)cc2[nH]1 ZINC001603653419 974019778 /nfs/dbraw/zinc/01/97/78/974019778.db2.gz UHKCRASTQIGKCK-QGZVFWFLSA-N -1 1 331.372 2.478 20 0 EEADMM CC(C)OC(=O)c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001591685428 975480260 /nfs/dbraw/zinc/48/02/60/975480260.db2.gz CHZPRWGEOBPBKA-UHFFFAOYSA-N -1 1 345.355 2.244 20 0 EEADMM CC(C)[C@H](NCc1ccccc1OCC(=O)[O-])[C@H](O)C(F)(F)F ZINC001591903987 976300222 /nfs/dbraw/zinc/30/02/22/976300222.db2.gz MCFXIILXKKAWIA-KBPBESRZSA-N -1 1 335.322 2.187 20 0 EEADMM CC(C)[C@H]1CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCN1C ZINC001591907510 976312666 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c1ccc(OC2CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)cc1 ZINC000738436476 578015132 /nfs/dbraw/zinc/01/51/32/578015132.db2.gz RAPKLWGLOJCGEJ-UHFFFAOYSA-N -1 1 345.366 2.078 20 0 EEADMM Cn1cc(-c2nc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)cs2)cn1 ZINC000739015067 576019015 /nfs/dbraw/zinc/01/90/15/576019015.db2.gz DNTLAQCETWRXMG-ZDUSSCGKSA-N -1 1 332.429 2.230 20 0 EEADMM C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000730360944 577026183 /nfs/dbraw/zinc/02/61/83/577026183.db2.gz UIIGUIULOHPZPY-QMMMGPOBSA-N -1 1 348.182 2.103 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000772060212 577248617 /nfs/dbraw/zinc/24/86/17/577248617.db2.gz JDIICVJAMXOTBR-HNNXBMFYSA-N -1 1 337.441 2.118 20 0 EEADMM CCCc1ccc(N2C[C@H](C(=O)[N-]OCCOCC)CC2=O)cc1 ZINC000772689616 577289994 /nfs/dbraw/zinc/28/99/94/577289994.db2.gz AOZPIAQYWVMRET-OAHLLOKOSA-N -1 1 334.416 2.076 20 0 EEADMM O=C(c1cc2ccccc2s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773157154 577319594 /nfs/dbraw/zinc/31/95/94/577319594.db2.gz GZLFPQXWVIGVNT-SNVBAGLBSA-N -1 1 331.426 2.345 20 0 EEADMM C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(Br)ccc1[O-] ZINC000773196342 577322101 /nfs/dbraw/zinc/32/21/01/577322101.db2.gz CUQQMDPFVQXALQ-SNVBAGLBSA-N -1 1 327.222 2.369 20 0 EEADMM COC(=O)c1cncc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c1 ZINC000773603537 577353948 /nfs/dbraw/zinc/35/39/48/577353948.db2.gz PVGPUWMKFASHPD-UHFFFAOYSA-N -1 1 343.335 2.176 20 0 EEADMM O=C(NCCc1c[nH]c2ccccc12)c1ccc2n[n-]c(=S)n2c1 ZINC000773707232 577360205 /nfs/dbraw/zinc/36/02/05/577360205.db2.gz OGBZZBBKAMCRAY-UHFFFAOYSA-N -1 1 337.408 2.472 20 0 EEADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774063603 577380820 /nfs/dbraw/zinc/38/08/20/577380820.db2.gz IBCATWIWBXIDQD-JTQLQIEISA-N -1 1 328.397 2.085 20 0 EEADMM Cc1noc2nc(C)cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c12 ZINC000774911691 577422922 /nfs/dbraw/zinc/42/29/22/577422922.db2.gz HIGSWVUHHMWWRH-UHFFFAOYSA-N -1 1 345.277 2.065 20 0 EEADMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccnc2Cl)[n-]1 ZINC000776433690 577459809 /nfs/dbraw/zinc/45/98/09/577459809.db2.gz IXBSTTUJNNNTEW-ZETCQYMHSA-N -1 1 340.792 2.364 20 0 EEADMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2cccnc2Cl)n1 ZINC000776433690 577459810 /nfs/dbraw/zinc/45/98/10/577459810.db2.gz IXBSTTUJNNNTEW-ZETCQYMHSA-N -1 1 340.792 2.364 20 0 EEADMM CC[C@@H](CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccccc1 ZINC000776561845 577462362 /nfs/dbraw/zinc/46/23/62/577462362.db2.gz ABJODCAIXGFESI-JSGCOSHPSA-N -1 1 331.445 2.400 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000776563834 577462369 /nfs/dbraw/zinc/46/23/69/577462369.db2.gz LIHYGEDMRWPURF-ZDUSSCGKSA-N -1 1 347.444 2.307 20 0 EEADMM Cn1[n-]c(COC(=O)c2ccc(COc3ccccc3)cc2)nc1=O ZINC000765386543 577500055 /nfs/dbraw/zinc/50/00/55/577500055.db2.gz MXLXKZDVUHHCMY-UHFFFAOYSA-N -1 1 339.351 2.044 20 0 EEADMM Cn1[n-]c(COC(=O)c2ccccc2OCc2cccs2)nc1=O ZINC000765472843 577501556 /nfs/dbraw/zinc/50/15/56/577501556.db2.gz GXVNYSSVUHRCGJ-UHFFFAOYSA-N -1 1 345.380 2.106 20 0 EEADMM Cn1[n-]c(COC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)nc1=O ZINC000765474190 577501616 /nfs/dbraw/zinc/50/16/16/577501616.db2.gz RUQBFDFBPRCBBB-NXEZZACHSA-N -1 1 342.182 2.262 20 0 EEADMM Cn1[n-]c(COC(=O)c2cc(C3CC3)nc3ccc(F)cc32)nc1=O ZINC000765488362 577501864 /nfs/dbraw/zinc/50/18/64/577501864.db2.gz LCHRKJOAZUVYKE-UHFFFAOYSA-N -1 1 342.330 2.030 20 0 EEADMM CC(C)(C)[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)c2ccccc21 ZINC000768097375 577550232 /nfs/dbraw/zinc/55/02/32/577550232.db2.gz IRPLECQQOKBXAQ-AWEZNQCLSA-N -1 1 341.411 2.103 20 0 EEADMM COc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000768281728 577553177 /nfs/dbraw/zinc/55/31/77/577553177.db2.gz GCYNYAVOPLPLOO-UHFFFAOYSA-N -1 1 343.307 2.472 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000769598966 577581124 /nfs/dbraw/zinc/58/11/24/577581124.db2.gz ZSVVWVCNDCKEMZ-CYBMUJFWSA-N -1 1 349.431 2.072 20 0 EEADMM CCc1ccc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc1C(=O)[O-] ZINC000769873349 577586271 /nfs/dbraw/zinc/58/62/71/577586271.db2.gz ZSTHPLSSBTYQCV-UHFFFAOYSA-N -1 1 349.412 2.359 20 0 EEADMM COc1cccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1F ZINC000769892612 577586627 /nfs/dbraw/zinc/58/66/27/577586627.db2.gz XSTYTYLSHCECFO-UHFFFAOYSA-N -1 1 331.756 2.266 20 0 EEADMM Cc1cc(-c2noc(CCC(=O)[N-]OCC(F)F)n2)ccc1F ZINC000759339488 577641282 /nfs/dbraw/zinc/64/12/82/577641282.db2.gz XHYJOSDXTHUUDI-UHFFFAOYSA-N -1 1 329.278 2.430 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(CC(C)C)CC2)o1 ZINC000760939477 577672468 /nfs/dbraw/zinc/67/24/68/577672468.db2.gz LFZYXBXEUOIRES-UHFFFAOYSA-N -1 1 328.434 2.086 20 0 EEADMM COc1cccc([C@H](O)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000762407926 577700629 /nfs/dbraw/zinc/70/06/29/577700629.db2.gz YDEIUCXQKHVUNV-CQSZACIVSA-N -1 1 345.399 2.086 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 ZINC000750952440 577745813 /nfs/dbraw/zinc/74/58/13/577745813.db2.gz JNSQJUKMUTZWRR-UHFFFAOYSA-N -1 1 344.776 2.234 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)CC(C)C ZINC000751654728 577756884 /nfs/dbraw/zinc/75/68/84/577756884.db2.gz AJZKHRDXOUVHAS-UHFFFAOYSA-N -1 1 327.402 2.220 20 0 EEADMM Cc1nc(Cl)ccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000751770290 577759415 /nfs/dbraw/zinc/75/94/15/577759415.db2.gz DJXAKEKEHLICCY-UHFFFAOYSA-N -1 1 332.743 2.157 20 0 EEADMM Cc1nc(=NC(=O)c2cc3ccccc3oc2=O)n(-c2ccccc2)[n-]1 ZINC000753344163 577785478 /nfs/dbraw/zinc/78/54/78/577785478.db2.gz VUCFPWJACXGSNJ-UHFFFAOYSA-N -1 1 346.346 2.356 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)C1(C)C ZINC000753951535 577797302 /nfs/dbraw/zinc/79/73/02/577797302.db2.gz VTFLDAIHDXPGON-ZIAGYGMSSA-N -1 1 344.415 2.050 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCCC1CCC1 ZINC000755649779 577828524 /nfs/dbraw/zinc/82/85/24/577828524.db2.gz SLNPDGQZFFSCEO-UHFFFAOYSA-N -1 1 326.400 2.402 20 0 EEADMM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCC4(CCCC4)C3)C2=O)cc1 ZINC000742267178 577870276 /nfs/dbraw/zinc/87/02/76/577870276.db2.gz YEMMURZZWSCGBQ-OAHLLOKOSA-N -1 1 342.395 2.283 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCOC[C@@H]2CCCO2)c1 ZINC000744747638 577902358 /nfs/dbraw/zinc/90/23/58/577902358.db2.gz CNXUIOQIRDQOIQ-INIZCTEOSA-N -1 1 336.384 2.266 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)NC(=O)C2CCCC2)c1 ZINC000744794488 577903137 /nfs/dbraw/zinc/90/31/37/577903137.db2.gz WVBMTLBXOXWCIG-GFCCVEGCSA-N -1 1 347.411 2.375 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC1(C)COC1 ZINC000744827853 577903827 /nfs/dbraw/zinc/90/38/27/577903827.db2.gz DDKYDOURXLAEHY-UHFFFAOYSA-N -1 1 327.402 2.032 20 0 EEADMM COC(=O)Cc1ccccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747278150 577942254 /nfs/dbraw/zinc/94/22/54/577942254.db2.gz NHFUEVCSCMDIEM-UHFFFAOYSA-N -1 1 338.385 2.016 20 0 EEADMM COC(=O)Cc1ccccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747278150 577942255 /nfs/dbraw/zinc/94/22/55/577942255.db2.gz NHFUEVCSCMDIEM-UHFFFAOYSA-N -1 1 338.385 2.016 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c(C)cccc2C)cc1 ZINC000738706220 578024409 /nfs/dbraw/zinc/02/44/09/578024409.db2.gz QKELWZFHHPYLGT-UHFFFAOYSA-N -1 1 341.363 2.425 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)c3nnc4ccccc4c3O)cc21 ZINC000739481310 578054943 /nfs/dbraw/zinc/05/49/43/578054943.db2.gz VXWLKGNRZGATPW-UHFFFAOYSA-N -1 1 349.306 2.162 20 0 EEADMM COc1ccc([C@@H](NC(=O)CNC2(C(=O)[O-])CCCC2)C2CC2)cc1 ZINC000739892561 578071962 /nfs/dbraw/zinc/07/19/62/578071962.db2.gz HMKQSWMQVXQOSO-KRWDZBQOSA-N -1 1 346.427 2.250 20 0 EEADMM COc1ccc([C@H](NC(=O)CNC2(C(=O)[O-])CCCC2)C2CC2)cc1 ZINC000739892562 578072009 /nfs/dbraw/zinc/07/20/09/578072009.db2.gz HMKQSWMQVXQOSO-QGZVFWFLSA-N -1 1 346.427 2.250 20 0 EEADMM Brc1cc(CNc2nccnc2-c2nnn[n-]2)cs1 ZINC000735368484 578149837 /nfs/dbraw/zinc/14/98/37/578149837.db2.gz MPPOPJPMQMHXNM-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1cc(CNc2nccnc2-c2nn[n-]n2)cs1 ZINC000735368484 578149838 /nfs/dbraw/zinc/14/98/38/578149838.db2.gz MPPOPJPMQMHXNM-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccsc1CNc1nccnc1-c1nnn[n-]1 ZINC000735374918 578149990 /nfs/dbraw/zinc/14/99/90/578149990.db2.gz FWVBMUQNOFTQOB-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccsc1CNc1nccnc1-c1nn[n-]n1 ZINC000735374918 578149991 /nfs/dbraw/zinc/14/99/91/578149991.db2.gz FWVBMUQNOFTQOB-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM O=C(COC(=O)[C@H]1CSc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000735741666 578166095 /nfs/dbraw/zinc/16/60/95/578166095.db2.gz WYKVWJGFRGABTD-AWEZNQCLSA-N -1 1 341.388 2.376 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)ccc1F ZINC000736156899 578183566 /nfs/dbraw/zinc/18/35/66/578183566.db2.gz FUFYXWJTRPEPDA-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)ccc1F ZINC000736156899 578183567 /nfs/dbraw/zinc/18/35/67/578183567.db2.gz FUFYXWJTRPEPDA-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000736205064 578187170 /nfs/dbraw/zinc/18/71/70/578187170.db2.gz MRVHPMBNFVJPGL-BBRMVZONSA-N -1 1 348.418 2.327 20 0 EEADMM C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736206861 578187313 /nfs/dbraw/zinc/18/73/13/578187313.db2.gz ZGFYHKRVWFCRFO-WMLDXEAASA-N -1 1 342.439 2.147 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC000736213538 578187677 /nfs/dbraw/zinc/18/76/77/578187677.db2.gz JZEKLKMUDPDSDQ-HNNXBMFYSA-N -1 1 334.383 2.485 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC000736213538 578187678 /nfs/dbraw/zinc/18/76/78/578187678.db2.gz JZEKLKMUDPDSDQ-HNNXBMFYSA-N -1 1 334.383 2.485 20 0 EEADMM CC(C)(C)c1nc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000736300053 578194146 /nfs/dbraw/zinc/19/41/46/578194146.db2.gz RVEREKIMIUURRG-AWEZNQCLSA-N -1 1 344.415 2.374 20 0 EEADMM CC(C)(C)c1nnc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3)CCO2)[nH]1 ZINC000736300053 578194147 /nfs/dbraw/zinc/19/41/47/578194147.db2.gz RVEREKIMIUURRG-AWEZNQCLSA-N -1 1 344.415 2.374 20 0 EEADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccccc1 ZINC000736383018 578200159 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CCc1nnc([C@H](C)Sc2nc(C)nc(C)c2-c2nn[n-]n2)o1 ZINC000736708583 578219134 /nfs/dbraw/zinc/21/91/34/578219134.db2.gz YFTFFFMAYJWEDV-ZETCQYMHSA-N -1 1 332.393 2.072 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](c1ncccc1C)C(C)C)C(=O)[O-] ZINC000736889729 578228325 /nfs/dbraw/zinc/22/83/25/578228325.db2.gz YUZBBCHHYHRPQI-MJEQTWJJSA-N -1 1 335.448 2.292 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccco1 ZINC000737085241 578237275 /nfs/dbraw/zinc/23/72/75/578237275.db2.gz IPQZQPJDWQGFHJ-ZDUSSCGKSA-N -1 1 349.387 2.453 20 0 EEADMM CCOCc1ccccc1CNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737178081 578242340 /nfs/dbraw/zinc/24/23/40/578242340.db2.gz ODAYYOZBXCVXRH-UHFFFAOYSA-N -1 1 348.443 2.216 20 0 EEADMM CN(C)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC000737359644 578252541 /nfs/dbraw/zinc/25/25/41/578252541.db2.gz VMPFMVUAXJCOKZ-CQSZACIVSA-N -1 1 349.362 2.219 20 0 EEADMM CN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C(C)(C)CO ZINC000737395033 578254692 /nfs/dbraw/zinc/25/46/92/578254692.db2.gz 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Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000822609372 606159810 /nfs/dbraw/zinc/15/98/10/606159810.db2.gz NABVFJITNMAFGW-SNVBAGLBSA-N -1 1 344.404 2.031 20 0 EEADMM O=C(CSc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823070605 606194390 /nfs/dbraw/zinc/19/43/90/606194390.db2.gz GXPNZLAHFMUZJA-UHFFFAOYSA-N -1 1 327.369 2.303 20 0 EEADMM Clc1ccc(Nc2ccc3c(c2)OCCO3)nc1-c1nnn[n-]1 ZINC000822578692 606438941 /nfs/dbraw/zinc/43/89/41/606438941.db2.gz NYGQCNNWVTYIJC-UHFFFAOYSA-N -1 1 330.735 2.430 20 0 EEADMM Clc1ccc(Nc2ccc3c(c2)OCCO3)nc1-c1nn[n-]n1 ZINC000822578692 606438943 /nfs/dbraw/zinc/43/89/43/606438943.db2.gz NYGQCNNWVTYIJC-UHFFFAOYSA-N -1 1 330.735 2.430 20 0 EEADMM OC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823706402 606478109 /nfs/dbraw/zinc/47/81/09/606478109.db2.gz MHKHYSSNMUFNRJ-SECBINFHSA-N -1 1 336.808 2.165 20 0 EEADMM OC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823706402 606478110 /nfs/dbraw/zinc/47/81/10/606478110.db2.gz MHKHYSSNMUFNRJ-SECBINFHSA-N -1 1 336.808 2.165 20 0 EEADMM O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nnn[n-]2)s1 ZINC000823144777 606496078 /nfs/dbraw/zinc/49/60/78/606496078.db2.gz LNHSWOMAGOHFGX-UHFFFAOYSA-N -1 1 329.429 2.483 20 0 EEADMM O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[n-]n2)s1 ZINC000823144777 606496079 /nfs/dbraw/zinc/49/60/79/606496079.db2.gz LNHSWOMAGOHFGX-UHFFFAOYSA-N -1 1 329.429 2.483 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1c1ccncc1 ZINC000823483156 606522029 /nfs/dbraw/zinc/52/20/29/606522029.db2.gz DLJBGHRUTINDKB-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1c1ccncc1 ZINC000823483156 606522030 /nfs/dbraw/zinc/52/20/30/606522030.db2.gz DLJBGHRUTINDKB-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821849934 606539511 /nfs/dbraw/zinc/53/95/11/606539511.db2.gz SXRDHWVMNIKYIW-UHFFFAOYSA-N -1 1 327.369 2.140 20 0 EEADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821849934 606539512 /nfs/dbraw/zinc/53/95/12/606539512.db2.gz SXRDHWVMNIKYIW-UHFFFAOYSA-N -1 1 327.369 2.140 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821357386 606571319 /nfs/dbraw/zinc/57/13/19/606571319.db2.gz CWMOYRZWGHAODO-NEPJUHHUSA-N -1 1 335.433 2.204 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821357386 606571321 /nfs/dbraw/zinc/57/13/21/606571321.db2.gz CWMOYRZWGHAODO-NEPJUHHUSA-N -1 1 335.433 2.204 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819883208 606650743 /nfs/dbraw/zinc/65/07/43/606650743.db2.gz FUNPOJNSASDMDU-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819883208 606650744 /nfs/dbraw/zinc/65/07/44/606650744.db2.gz FUNPOJNSASDMDU-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822519470 606652193 /nfs/dbraw/zinc/65/21/93/606652193.db2.gz HLJJLOGWLGYWRD-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822519470 606652194 /nfs/dbraw/zinc/65/21/94/606652194.db2.gz HLJJLOGWLGYWRD-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM CC(C)CC1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCCC1 ZINC000820062875 606696976 /nfs/dbraw/zinc/69/69/76/606696976.db2.gz RBZLRQYMOXMRCW-UHFFFAOYSA-N -1 1 346.439 2.328 20 0 EEADMM CC(C)CC1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCCC1 ZINC000820062875 606696977 /nfs/dbraw/zinc/69/69/77/606696977.db2.gz RBZLRQYMOXMRCW-UHFFFAOYSA-N -1 1 346.439 2.328 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822258858 607024397 /nfs/dbraw/zinc/02/43/97/607024397.db2.gz FQWWENFWVTWDKD-SECBINFHSA-N -1 1 330.373 2.038 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822258858 607024399 /nfs/dbraw/zinc/02/43/99/607024399.db2.gz FQWWENFWVTWDKD-SECBINFHSA-N -1 1 330.373 2.038 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](c2ccsc2)O1 ZINC000820774308 607116063 /nfs/dbraw/zinc/11/60/63/607116063.db2.gz AJPCERICYCAEPU-GXFFZTMASA-N -1 1 328.401 2.290 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](c2ccsc2)O1 ZINC000820774308 607116065 /nfs/dbraw/zinc/11/60/65/607116065.db2.gz AJPCERICYCAEPU-GXFFZTMASA-N -1 1 328.401 2.290 20 0 EEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826304288 607867689 /nfs/dbraw/zinc/86/76/89/607867689.db2.gz FWZGIOOOWCGEAS-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826304288 607867690 /nfs/dbraw/zinc/86/76/90/607867690.db2.gz FWZGIOOOWCGEAS-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CC(=O)CCCCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823966830 608255736 /nfs/dbraw/zinc/25/57/36/608255736.db2.gz BTOFQHGAZFHQOR-UHFFFAOYSA-N -1 1 331.376 2.235 20 0 EEADMM CC(=O)CCCCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823966830 608255737 /nfs/dbraw/zinc/25/57/37/608255737.db2.gz BTOFQHGAZFHQOR-UHFFFAOYSA-N -1 1 331.376 2.235 20 0 EEADMM Cc1ccc(F)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1F ZINC000826289046 608382865 /nfs/dbraw/zinc/38/28/65/608382865.db2.gz IGEOLVBNDQJWMK-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Clc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826351548 608412116 /nfs/dbraw/zinc/41/21/16/608412116.db2.gz QVCIHCPUGYRAAJ-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826351548 608412117 /nfs/dbraw/zinc/41/21/17/608412117.db2.gz QVCIHCPUGYRAAJ-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377470 608423751 /nfs/dbraw/zinc/42/37/51/608423751.db2.gz TVAYVWXNOVJCSV-CPCISQLKSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377470 608423752 /nfs/dbraw/zinc/42/37/52/608423752.db2.gz TVAYVWXNOVJCSV-CPCISQLKSA-N -1 1 331.742 2.417 20 0 EEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(Cl)c1 ZINC000824426498 608424338 /nfs/dbraw/zinc/42/43/38/608424338.db2.gz GNMRJWDKUCMOTO-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(Cl)c1 ZINC000824426498 608424340 /nfs/dbraw/zinc/42/43/40/608424340.db2.gz GNMRJWDKUCMOTO-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520185 608438155 /nfs/dbraw/zinc/43/81/55/608438155.db2.gz BZJDGFWPJHWCPX-SWLSCSKDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520185 608438156 /nfs/dbraw/zinc/43/81/56/608438156.db2.gz BZJDGFWPJHWCPX-SWLSCSKDSA-N -1 1 337.387 2.237 20 0 EEADMM CCc1ccccc1NC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825723024 608500382 /nfs/dbraw/zinc/50/03/82/608500382.db2.gz QUWVMVYKVXMQMR-UHFFFAOYSA-N -1 1 340.387 2.093 20 0 EEADMM CCc1ccccc1NC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825723024 608500383 /nfs/dbraw/zinc/50/03/83/608500383.db2.gz QUWVMVYKVXMQMR-UHFFFAOYSA-N -1 1 340.387 2.093 20 0 EEADMM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1F ZINC000826373930 608675475 /nfs/dbraw/zinc/67/54/75/608675475.db2.gz FTWVKRHCNABRCW-HNNXBMFYSA-N -1 1 347.325 2.311 20 0 EEADMM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cc1F ZINC000826373930 608675476 /nfs/dbraw/zinc/67/54/76/608675476.db2.gz FTWVKRHCNABRCW-HNNXBMFYSA-N -1 1 347.325 2.311 20 0 EEADMM COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215594 609592756 /nfs/dbraw/zinc/59/27/56/609592756.db2.gz UGOCRMCFVNYUIH-IAQYHMDHSA-N -1 1 337.387 2.253 20 0 EEADMM COc1cccc([C@H]2C[C@@H](C)CN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215594 609592759 /nfs/dbraw/zinc/59/27/59/609592759.db2.gz UGOCRMCFVNYUIH-IAQYHMDHSA-N -1 1 337.387 2.253 20 0 EEADMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866837425 674579104 /nfs/dbraw/zinc/57/91/04/674579104.db2.gz BGRGGZSSHMHKFN-SECBINFHSA-N -1 1 327.233 2.074 20 0 EEADMM CC[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(Cl)c1 ZINC000079485077 675437259 /nfs/dbraw/zinc/43/72/59/675437259.db2.gz XDYNWFMXMONIDH-GHMZBOCLSA-N -1 1 325.821 2.254 20 0 EEADMM C[C@H]1CN(C(=O)C2=CCCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020733408 675460003 /nfs/dbraw/zinc/46/00/03/675460003.db2.gz YORBAUPADZANJP-DZGCQCFKSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H]1CC=CC[C@H]1C ZINC000890771781 675620258 /nfs/dbraw/zinc/62/02/58/675620258.db2.gz ZWHZCJDWSUPOIB-IAQYHMDHSA-N -1 1 328.416 2.455 20 0 EEADMM COCc1nc(N2CCN(c3cccc(C)c3C)CC2)cc(=O)[n-]1 ZINC000891440761 676606263 /nfs/dbraw/zinc/60/62/63/676606263.db2.gz PNHVXXBHGFDHST-UHFFFAOYSA-N -1 1 328.416 2.272 20 0 EEADMM O=C(COCCc1ccccc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622705 676731144 /nfs/dbraw/zinc/73/11/44/676731144.db2.gz DLUAKHOOWAPFRD-UHFFFAOYSA-N -1 1 327.384 2.259 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CC(c2ccccc2)=NO1 ZINC000891622036 676732940 /nfs/dbraw/zinc/73/29/40/676732940.db2.gz BLHFOLZDPFJPRG-HNNXBMFYSA-N -1 1 338.367 2.193 20 0 EEADMM CCCN(CCC)C(=O)CCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623680 676733091 /nfs/dbraw/zinc/73/30/91/676733091.db2.gz XWFFRHVTNSXPTP-UHFFFAOYSA-N -1 1 348.447 2.428 20 0 EEADMM O=C(Cc1ccc2c(c1)OCCO2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627626 676735706 /nfs/dbraw/zinc/73/57/06/676735706.db2.gz JNWZIOMJAXBXQQ-UHFFFAOYSA-N -1 1 341.367 2.013 20 0 EEADMM COCc1nc(NCc2ccnc(OCC(F)(F)F)c2)cc(=O)[n-]1 ZINC000891821680 676847938 /nfs/dbraw/zinc/84/79/38/676847938.db2.gz GIFQBKJZBWJAOF-UHFFFAOYSA-N -1 1 344.293 2.277 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2Cc2ccsc2)c1[O-] ZINC001024384449 679886350 /nfs/dbraw/zinc/88/63/50/679886350.db2.gz CRMBDCUNKCNIBO-ZDUSSCGKSA-N -1 1 334.445 2.270 20 0 EEADMM Cn1c(CNC(=O)Cc2coc(-c3cccs3)n2)n[n-]c1=S ZINC000066625137 681739409 /nfs/dbraw/zinc/73/94/09/681739409.db2.gz BRDYOFDFSLDKDK-UHFFFAOYSA-N -1 1 335.414 2.053 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000937306016 682165780 /nfs/dbraw/zinc/16/57/80/682165780.db2.gz PLYSKFXKUWGVRP-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM COCc1nc(NCCc2nc(C(F)(F)F)cs2)cc(=O)[n-]1 ZINC000892743391 682979534 /nfs/dbraw/zinc/97/95/34/682979534.db2.gz WSVCMWAWERAUQI-UHFFFAOYSA-N -1 1 334.323 2.459 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000973724258 683165936 /nfs/dbraw/zinc/16/59/36/683165936.db2.gz TYMBCEQFMPIRQK-BCNRKGMWSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)C2CC=CC2)C1 ZINC000983740712 683231791 /nfs/dbraw/zinc/23/17/91/683231791.db2.gz OHLWUVHBPJIJLT-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM COCc1nc(N2CCC[C@H]2Cn2cnc3ccccc32)cc(=O)[n-]1 ZINC000892984895 683476065 /nfs/dbraw/zinc/47/60/65/683476065.db2.gz BXGCKKZMKYVPJF-ZDUSSCGKSA-N -1 1 339.399 2.347 20 0 EEADMM COCc1nc(N2CCN(c3ccc(C)c(C)c3)CC2)cc(=O)[n-]1 ZINC000893011736 683552663 /nfs/dbraw/zinc/55/26/63/683552663.db2.gz ANYYHCRSOGAWDS-UHFFFAOYSA-N -1 1 328.416 2.272 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000983828624 683583723 /nfs/dbraw/zinc/58/37/23/683583723.db2.gz KWVHFDIDDVXTIF-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM 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CC(C)S(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000905252934 694580501 /nfs/dbraw/zinc/58/05/01/694580501.db2.gz OFRDLIVEJCWZKP-UHFFFAOYSA-N -1 1 330.207 2.416 20 0 EEADMM CN(C[C@@H](O)COCc1cccs1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000905369350 694626419 /nfs/dbraw/zinc/62/64/19/694626419.db2.gz MADJYSRDEXUCQX-GDBMZVCRSA-N -1 1 335.425 2.383 20 0 EEADMM Cc1ccc([C@H](NCCS(=O)(=O)c2ccccc2)C(=O)[O-])cc1C ZINC000905379986 694629656 /nfs/dbraw/zinc/62/96/56/694629656.db2.gz YKBBETNUJUEKMJ-KRWDZBQOSA-N -1 1 347.436 2.493 20 0 EEADMM O=C(C[C@H]1C=CCC1)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943080104 1192039027 /nfs/dbraw/zinc/03/90/27/1192039027.db2.gz SNIKYTOXMDHACG-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943088804 1192048203 /nfs/dbraw/zinc/04/82/03/1192048203.db2.gz YDPLQESMBKMUEW-CYBMUJFWSA-N -1 1 343.383 2.113 20 0 EEADMM Cc1cc(C(=O)N2CCCC[C@H](NC(=O)c3ncccc3[O-])C2)co1 ZINC000943204381 1192114179 /nfs/dbraw/zinc/11/41/79/1192114179.db2.gz 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LDWPVFWLWBQQCC-SNVBAGLBSA-N -1 1 348.369 2.258 20 0 EEADMM COC(=O)c1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877774211 1200087301 /nfs/dbraw/zinc/08/73/01/1200087301.db2.gz BLTPUXPPFPRDRI-OAHLLOKOSA-N -1 1 344.333 2.116 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1Cl ZINC000126809318 1200184473 /nfs/dbraw/zinc/18/44/73/1200184473.db2.gz DVTWIGIQVZFHOC-UHFFFAOYSA-N -1 1 329.813 2.255 20 0 EEADMM O=C([N-]C[C@H]1CCCN(c2nnc(C3CC3)s2)C1)C(F)(F)F ZINC000811856778 1200360055 /nfs/dbraw/zinc/36/00/55/1200360055.db2.gz RMCIMDIPIRMYKL-MRVPVSSYSA-N -1 1 334.367 2.310 20 0 EEADMM C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000879765831 1201247759 /nfs/dbraw/zinc/24/77/59/1201247759.db2.gz INACOWQXMZZKOU-UKRRQHHQSA-N -1 1 330.350 2.253 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)C2CC3(CC3)C2)CN1C(=O)c1ncccc1[O-] ZINC001018399166 1224676161 /nfs/dbraw/zinc/67/61/61/1224676161.db2.gz MBIZTQMPFCYBSM-JSGCOSHPSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866586279 1201555180 /nfs/dbraw/zinc/55/51/80/1201555180.db2.gz FFRVVUUMMCZINE-DTWKUNHWSA-N -1 1 336.255 2.277 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1cc2c(s1)CCCC2 ZINC000866537067 1201543714 /nfs/dbraw/zinc/54/37/14/1201543714.db2.gz ZYCLQAADAPEDGI-UHFFFAOYSA-N -1 1 348.515 2.223 20 0 EEADMM CCOCCC[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000881735802 1201748161 /nfs/dbraw/zinc/74/81/61/1201748161.db2.gz RCXGRKLJCKTVAS-UHFFFAOYSA-N -1 1 346.758 2.459 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)[C@@H](C)O ZINC000882238486 1201837979 /nfs/dbraw/zinc/83/79/79/1201837979.db2.gz VDXGORNVECULCT-SVRRBLITSA-N -1 1 346.758 2.192 20 0 EEADMM O=C(Cc1csc(-c2nc[nH]n2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000129527012 1201839557 /nfs/dbraw/zinc/83/95/57/1201839557.db2.gz AQKDDPKNBCZVGH-UHFFFAOYSA-N -1 1 335.776 2.468 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CC1)C[C@H](O)CCO2 ZINC000886108766 1202473502 /nfs/dbraw/zinc/47/35/02/1202473502.db2.gz 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C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)O1 ZINC000352357328 1322144749 /nfs/dbraw/zinc/14/47/49/1322144749.db2.gz QDDMFQKBVDQRBU-FZMZJTMJSA-N -1 1 331.376 2.065 20 0 EEADMM [O-]c1ccc(-c2nc(-c3ccc(OC4COC4)c(F)c3)no2)nn1 ZINC001205298915 1322345845 /nfs/dbraw/zinc/34/58/45/1322345845.db2.gz GHZBZECLLVCOHX-UHFFFAOYSA-N -1 1 330.275 2.377 20 0 EEADMM Cc1noc(CN(C)c2nnc(-c3ccc(Cl)cc3[O-])n2C)n1 ZINC001262864892 1322386965 /nfs/dbraw/zinc/38/69/65/1322386965.db2.gz TYDMCWJMFXIYPM-UHFFFAOYSA-N -1 1 334.767 2.169 20 0 EEADMM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209850602 1325070948 /nfs/dbraw/zinc/07/09/48/1325070948.db2.gz CPEHSSQABQFYGH-UHFFFAOYSA-N -1 1 346.368 2.351 20 0 EEADMM CN1CCN(c2ccc(Nc3cccc(CC(=O)[O-])c3)cn2)CC1 ZINC001210068418 1325146877 /nfs/dbraw/zinc/14/68/77/1325146877.db2.gz YHKPUUCFDBEZMB-UHFFFAOYSA-N -1 1 326.400 2.204 20 0 EEADMM CC(C)CC1(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001210176442 1325192246 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O=C([O-])c1cccc(CS(=O)(=O)Nc2n[nH]c3ccccc32)c1 ZINC001608933008 1351797546 /nfs/dbraw/zinc/79/75/46/1351797546.db2.gz PYYUOZLLGRLABI-UHFFFAOYSA-N -1 1 331.353 2.203 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(Cc3[nH]nc4c3COCC4)C2)s1 ZINC001608967522 1351804318 /nfs/dbraw/zinc/80/43/18/1351804318.db2.gz GNMREZUPKLDWFC-SNVBAGLBSA-N -1 1 348.428 2.017 20 0 EEADMM CS(=O)(=O)CCCCN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001320587024 1332915742 /nfs/dbraw/zinc/91/57/42/1332915742.db2.gz ORRVAPRGHOXMCO-UHFFFAOYSA-N -1 1 339.457 2.389 20 0 EEADMM CC(=O)N1Cc2ccc(Nc3snc(C)c3-c3nn[n-]n3)cc2C1 ZINC001609063121 1351828399 /nfs/dbraw/zinc/82/83/99/1351828399.db2.gz SSTZRJJVLULOOK-UHFFFAOYSA-N -1 1 341.400 2.237 20 0 EEADMM O=C(COC(=O)c1cc(-c2ccccn2)no1)c1ccc([O-])cc1O ZINC001322363453 1333253989 /nfs/dbraw/zinc/25/39/89/1333253989.db2.gz DNIMFODPCKIXCS-UHFFFAOYSA-N -1 1 340.291 2.188 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609080088 1351834061 /nfs/dbraw/zinc/83/40/61/1351834061.db2.gz KHZRWTYHPDSBKO-UHFFFAOYSA-N -1 1 328.332 2.284 20 0 EEADMM CC(C)=CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001609085913 1351835922 /nfs/dbraw/zinc/83/59/22/1351835922.db2.gz WXCRFCLJIGZKSP-UHFFFAOYSA-N -1 1 331.376 2.026 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1OC ZINC001609187989 1351882312 /nfs/dbraw/zinc/88/23/12/1351882312.db2.gz VOASGMNQZGDKFJ-JTQLQIEISA-N -1 1 343.391 2.388 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1OC ZINC001609187989 1351882315 /nfs/dbraw/zinc/88/23/15/1351882315.db2.gz VOASGMNQZGDKFJ-JTQLQIEISA-N -1 1 343.391 2.388 20 0 EEADMM CC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1)C(C)(C)O ZINC001609194861 1351884506 /nfs/dbraw/zinc/88/45/06/1351884506.db2.gz QHZSVHAQHFGLJM-MRVPVSSYSA-N -1 1 330.314 2.242 20 0 EEADMM CC[C@@H](Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1)C(C)(C)O ZINC001609194861 1351884510 /nfs/dbraw/zinc/88/45/10/1351884510.db2.gz QHZSVHAQHFGLJM-MRVPVSSYSA-N -1 1 330.314 2.242 20 0 EEADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609205221 1351890690 /nfs/dbraw/zinc/89/06/90/1351890690.db2.gz DJOUNQURTZWEEA-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609205221 1351890691 /nfs/dbraw/zinc/89/06/91/1351890691.db2.gz DJOUNQURTZWEEA-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609248075 1351908275 /nfs/dbraw/zinc/90/82/75/1351908275.db2.gz WGRLCQNVWJECRB-MFKMUULPSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609248075 1351908277 /nfs/dbraw/zinc/90/82/77/1351908277.db2.gz WGRLCQNVWJECRB-MFKMUULPSA-N -1 1 332.433 2.056 20 0 EEADMM CCc1c(Nc2cncc(-c3nnn[n-]3)n2)cnn1CCC(C)C ZINC001609249944 1351909061 /nfs/dbraw/zinc/90/90/61/1351909061.db2.gz BMIXVVLPIYTCSO-UHFFFAOYSA-N -1 1 327.396 2.205 20 0 EEADMM CCc1c(Nc2cncc(-c3nn[n-]n3)n2)cnn1CCC(C)C ZINC001609249944 1351909063 /nfs/dbraw/zinc/90/90/63/1351909063.db2.gz BMIXVVLPIYTCSO-UHFFFAOYSA-N -1 1 327.396 2.205 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001609427088 1351972339 /nfs/dbraw/zinc/97/23/39/1351972339.db2.gz LAALGQOEOLJROT-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001609427088 1351972341 /nfs/dbraw/zinc/97/23/41/1351972341.db2.gz LAALGQOEOLJROT-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CCC2)cc1 ZINC001609421368 1351969877 /nfs/dbraw/zinc/96/98/77/1351969877.db2.gz AOWYRUUYBVCTFA-UHFFFAOYSA-N -1 1 334.383 2.379 20 0 EEADMM Cc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CCC2)cc1 ZINC001609421368 1351969878 /nfs/dbraw/zinc/96/98/78/1351969878.db2.gz AOWYRUUYBVCTFA-UHFFFAOYSA-N -1 1 334.383 2.379 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C)cc2Cl)nn1C ZINC001609422199 1351970319 /nfs/dbraw/zinc/97/03/19/1351970319.db2.gz NJMZUJLISJUTFH-UHFFFAOYSA-N -1 1 345.794 2.052 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C)cc2Cl)nn1C ZINC001609422199 1351970321 /nfs/dbraw/zinc/97/03/21/1351970321.db2.gz NJMZUJLISJUTFH-UHFFFAOYSA-N -1 1 345.794 2.052 20 0 EEADMM O=C(C[C@H]1CCc2ccccc21)OCc1cccnc1-c1nnn[n-]1 ZINC001609521196 1352003914 /nfs/dbraw/zinc/00/39/14/1352003914.db2.gz AKIPXKPBMMBYMK-CYBMUJFWSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(C[C@H]1CCc2ccccc21)OCc1cccnc1-c1nn[n-]n1 ZINC001609521196 1352003917 /nfs/dbraw/zinc/00/39/17/1352003917.db2.gz AKIPXKPBMMBYMK-CYBMUJFWSA-N -1 1 335.367 2.425 20 0 EEADMM O=C1Nc2ccc(Cl)cc2C1=Cc1nc(-c2nnn[n-]2)cs1 ZINC001609589789 1352029350 /nfs/dbraw/zinc/02/93/50/1352029350.db2.gz INQNQUSNTWOEKG-XBXARRHUSA-N -1 1 330.760 2.469 20 0 EEADMM O=C1Nc2ccc(Cl)cc2C1=Cc1nc(-c2nn[n-]n2)cs1 ZINC001609589789 1352029355 /nfs/dbraw/zinc/02/93/55/1352029355.db2.gz INQNQUSNTWOEKG-XBXARRHUSA-N -1 1 330.760 2.469 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(C)c2ccccc2n1)c1nn[n-]n1 ZINC001334254919 1336228689 /nfs/dbraw/zinc/22/86/89/1336228689.db2.gz WTCZWGAWURCRNH-ZDUSSCGKSA-N -1 1 342.428 2.281 20 0 EEADMM O=C(CCc1ccc(-c2ccccc2)o1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001350232854 1337685465 /nfs/dbraw/zinc/68/54/65/1337685465.db2.gz AKIWRLMPQBHSDQ-CQSZACIVSA-N -1 1 337.383 2.408 20 0 EEADMM CCCCCNC(=S)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001200065330 1337970852 /nfs/dbraw/zinc/97/08/52/1337970852.db2.gz RWWLARQEYMIEJV-UHFFFAOYSA-N -1 1 342.401 2.314 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc(C2CCC2)ns1 ZINC001100515464 1338464474 /nfs/dbraw/zinc/46/44/74/1338464474.db2.gz RKQZCUDKDUFYLC-UHFFFAOYSA-N -1 1 347.444 2.163 20 0 EEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(CN)o2)cc1 ZINC001610385152 1352214262 /nfs/dbraw/zinc/21/42/62/1352214262.db2.gz YMBPNCPTLWKMDA-ZDUSSCGKSA-N -1 1 334.397 2.406 20 0 EEADMM COC(=O)C1(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000848716944 1338746943 /nfs/dbraw/zinc/74/69/43/1338746943.db2.gz OXRKFERMSRYRJG-UHFFFAOYSA-N -1 1 347.150 2.378 20 0 EEADMM Cc1cc(CC(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n[nH]1 ZINC001610459851 1352226272 /nfs/dbraw/zinc/22/62/72/1352226272.db2.gz WUJRYXSLTXCFIA-CYBMUJFWSA-N -1 1 326.711 2.422 20 0 EEADMM Cc1ccc2cccnc2c1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC001610517831 1352237267 /nfs/dbraw/zinc/23/72/67/1352237267.db2.gz WTPLKLQQYPYWOS-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM CC1(CC(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001413994563 1339056798 /nfs/dbraw/zinc/05/67/98/1339056798.db2.gz VHZRGFRCOMQLNI-UONOGXRCSA-N -1 1 343.427 2.135 20 0 EEADMM O=C([O-])C[C@]1(NCc2nccn2Cc2ccccc2)CCCOC1 ZINC001610759081 1352270166 /nfs/dbraw/zinc/27/01/66/1352270166.db2.gz BKPWKDQXTORDJO-GOSISDBHSA-N -1 1 329.400 2.045 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)c2n[nH]nc2-c2ccccc2)cc1 ZINC001610824809 1352280853 /nfs/dbraw/zinc/28/08/53/1352280853.db2.gz MUOUVNUWFMJBPY-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C([O-])c1cccc(C(=O)COC(=O)C2CN(C3CCCCC3)C2)c1 ZINC001610844341 1352284540 /nfs/dbraw/zinc/28/45/40/1352284540.db2.gz VRROFVXZBOXJLY-UHFFFAOYSA-N -1 1 345.395 2.375 20 0 EEADMM Cc1cccc([C@H](C)C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1 ZINC001429227907 1339842414 /nfs/dbraw/zinc/84/24/14/1339842414.db2.gz RMZFQIJZEVKRRP-AWEZNQCLSA-N -1 1 341.411 2.088 20 0 EEADMM CCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CCCC2)CC1 ZINC001432513815 1341312964 /nfs/dbraw/zinc/31/29/64/1341312964.db2.gz ZDNZJSSNIAZLLR-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001432961806 1341446712 /nfs/dbraw/zinc/44/67/12/1341446712.db2.gz IFCABOMPJMQPQK-QWHCGFSZSA-N -1 1 333.432 2.096 20 0 EEADMM O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cc([O-])c(F)cc1F ZINC001434051632 1341754009 /nfs/dbraw/zinc/75/40/09/1341754009.db2.gz UAOMWUAGEFTCCX-UHFFFAOYSA-N -1 1 342.248 2.317 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001434723926 1341927411 /nfs/dbraw/zinc/92/74/11/1341927411.db2.gz BINYTYKPZYLRMJ-CQSZACIVSA-N -1 1 342.403 2.115 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1CCCC12CCOCC2 ZINC001553608724 1342353805 /nfs/dbraw/zinc/35/38/05/1342353805.db2.gz BPECOTUMIFHPOO-CABCVRRESA-N -1 1 341.415 2.002 20 0 EEADMM COc1ccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c([O-])c1 ZINC001570189598 1343030329 /nfs/dbraw/zinc/03/03/29/1343030329.db2.gz DGGFXKPXACCOLU-UHFFFAOYSA-N -1 1 332.287 2.237 20 0 EEADMM C[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575498028 1343810269 /nfs/dbraw/zinc/81/02/69/1343810269.db2.gz JKAIUHOMTBVGNV-SECBINFHSA-N -1 1 347.375 2.151 20 0 EEADMM CC[C@H](C)CC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576630755 1344042649 /nfs/dbraw/zinc/04/26/49/1344042649.db2.gz WGUOOICUCWCNMF-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM COC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c(C)s1 ZINC001579479603 1344387608 /nfs/dbraw/zinc/38/76/08/1344387608.db2.gz PDLAJGKOBBGWJB-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c(C)s1 ZINC001579479603 1344387611 /nfs/dbraw/zinc/38/76/11/1344387611.db2.gz PDLAJGKOBBGWJB-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM CO[C@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001579530506 1344393041 /nfs/dbraw/zinc/39/30/41/1344393041.db2.gz MXUHGQYTYGRMNO-NSHDSACASA-N -1 1 348.363 2.097 20 0 EEADMM CO[C@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001579530506 1344393047 /nfs/dbraw/zinc/39/30/47/1344393047.db2.gz MXUHGQYTYGRMNO-NSHDSACASA-N -1 1 348.363 2.097 20 0 EEADMM COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1C ZINC001580071000 1344464256 /nfs/dbraw/zinc/46/42/56/1344464256.db2.gz MLNNFJISIVPCTP-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM CSc1cc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1C ZINC001580230380 1344494834 /nfs/dbraw/zinc/49/48/34/1344494834.db2.gz CKKHKZXTCVKHNG-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM CSc1cc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1C ZINC001580230380 1344494840 /nfs/dbraw/zinc/49/48/40/1344494840.db2.gz CKKHKZXTCVKHNG-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001580309856 1344509429 /nfs/dbraw/zinc/50/94/29/1344509429.db2.gz XHCNDQMCYTTWCK-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001580309856 1344509432 /nfs/dbraw/zinc/50/94/32/1344509432.db2.gz XHCNDQMCYTTWCK-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cnc1C(F)F ZINC001580985343 1344579906 /nfs/dbraw/zinc/57/99/06/1344579906.db2.gz ABTXCPHQDSZRQO-UHFFFAOYSA-N -1 1 331.286 2.155 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cnc1C(F)F ZINC001580985343 1344579907 /nfs/dbraw/zinc/57/99/07/1344579907.db2.gz ABTXCPHQDSZRQO-UHFFFAOYSA-N -1 1 331.286 2.155 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nnn[n-]1 ZINC001581683666 1344653412 /nfs/dbraw/zinc/65/34/12/1344653412.db2.gz IHQRGVVDQNYKPS-SNVBAGLBSA-N -1 1 344.425 2.287 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2Cc3ccccc3S2)c1-c1nn[n-]n1 ZINC001581683666 1344653415 /nfs/dbraw/zinc/65/34/15/1344653415.db2.gz IHQRGVVDQNYKPS-SNVBAGLBSA-N -1 1 344.425 2.287 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCC(F)(F)C1 ZINC001582549795 1344761035 /nfs/dbraw/zinc/76/10/35/1344761035.db2.gz KAGGXNXQHDOHDP-QMMMGPOBSA-N -1 1 342.375 2.163 20 0 EEADMM CC(C)[C@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589430488 1348990575 /nfs/dbraw/zinc/99/05/75/1348990575.db2.gz ZNRNXPVYTQALQH-GFCCVEGCSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)[C@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589430488 1348990577 /nfs/dbraw/zinc/99/05/77/1348990577.db2.gz ZNRNXPVYTQALQH-GFCCVEGCSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)OCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001589750307 1349029261 /nfs/dbraw/zinc/02/92/61/1349029261.db2.gz ZGYCCIZNILGFAH-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM CC(C)OCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001589750307 1349029265 /nfs/dbraw/zinc/02/92/65/1349029265.db2.gz ZGYCCIZNILGFAH-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM CC(C)Oc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nc1 ZINC001589754447 1349030289 /nfs/dbraw/zinc/03/02/89/1349030289.db2.gz VDGAFSOSTXSHFW-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM C[C@H](CO)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC001589886802 1349054840 /nfs/dbraw/zinc/05/48/40/1349054840.db2.gz LCSMDCJKPSNKJS-GFCCVEGCSA-N -1 1 338.415 2.260 20 0 EEADMM C[C@H](CO)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC001589886802 1349054843 /nfs/dbraw/zinc/05/48/43/1349054843.db2.gz LCSMDCJKPSNKJS-GFCCVEGCSA-N -1 1 338.415 2.260 20 0 EEADMM CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590095529 1349152411 /nfs/dbraw/zinc/15/24/11/1349152411.db2.gz LNAQDHWFMOBDTO-SECBINFHSA-N -1 1 334.811 2.471 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(F)ccc21 ZINC001590102435 1349155726 /nfs/dbraw/zinc/15/57/26/1349155726.db2.gz PIVJCEXINPQRCZ-UHFFFAOYSA-N -1 1 338.346 2.339 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(F)ccc21 ZINC001590102435 1349155734 /nfs/dbraw/zinc/15/57/34/1349155734.db2.gz PIVJCEXINPQRCZ-UHFFFAOYSA-N -1 1 338.346 2.339 20 0 EEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590167406 1349182053 /nfs/dbraw/zinc/18/20/53/1349182053.db2.gz FEJLJKGPRWVRDJ-DZGCQCFKSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590167406 1349182057 /nfs/dbraw/zinc/18/20/57/1349182057.db2.gz FEJLJKGPRWVRDJ-DZGCQCFKSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590195534 1349194566 /nfs/dbraw/zinc/19/45/66/1349194566.db2.gz XETKGEWASOZOLV-VHSXEESVSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590195534 1349194569 /nfs/dbraw/zinc/19/45/69/1349194569.db2.gz XETKGEWASOZOLV-VHSXEESVSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590252869 1349228917 /nfs/dbraw/zinc/22/89/17/1349228917.db2.gz OQUMHUBEFWNNIR-UWVGGRQHSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590252869 1349228926 /nfs/dbraw/zinc/22/89/26/1349228926.db2.gz OQUMHUBEFWNNIR-UWVGGRQHSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590268491 1349242033 /nfs/dbraw/zinc/24/20/33/1349242033.db2.gz CIGHABSESSILMI-LBPRGKRZSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590268491 1349242047 /nfs/dbraw/zinc/24/20/47/1349242047.db2.gz CIGHABSESSILMI-LBPRGKRZSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@@H]1CCN(c2cc(Br)cnc2-c2nnn[n-]2)C[C@@H]1F ZINC001590276434 1349245724 /nfs/dbraw/zinc/24/57/24/1349245724.db2.gz NWAQGWDDDVTRAW-APPZFPTMSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@@H]1CCN(c2cc(Br)cnc2-c2nn[n-]n2)C[C@@H]1F ZINC001590276434 1349245727 /nfs/dbraw/zinc/24/57/27/1349245727.db2.gz NWAQGWDDDVTRAW-APPZFPTMSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590282354 1349247057 /nfs/dbraw/zinc/24/70/57/1349247057.db2.gz PPGJQXVPXRETAY-LBPRGKRZSA-N -1 1 334.383 2.172 20 0 EEADMM C[C@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590282354 1349247062 /nfs/dbraw/zinc/24/70/62/1349247062.db2.gz PPGJQXVPXRETAY-LBPRGKRZSA-N -1 1 334.383 2.172 20 0 EEADMM C[C@H]1CSCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001590325275 1349264320 /nfs/dbraw/zinc/26/43/20/1349264320.db2.gz BUHBRABOJPLTSQ-MRVPVSSYSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@H]1CSCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001590325275 1349264323 /nfs/dbraw/zinc/26/43/23/1349264323.db2.gz BUHBRABOJPLTSQ-MRVPVSSYSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590334855 1349272142 /nfs/dbraw/zinc/27/21/42/1349272142.db2.gz BVLJEDAGBKHNRH-QMMMGPOBSA-N -1 1 345.309 2.497 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590334855 1349272148 /nfs/dbraw/zinc/27/21/48/1349272148.db2.gz BVLJEDAGBKHNRH-QMMMGPOBSA-N -1 1 345.309 2.497 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nc(C)cs1 ZINC001590383094 1349295684 /nfs/dbraw/zinc/29/56/84/1349295684.db2.gz TXUASJXVBIPASS-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nc(C)cs1 ZINC001590383094 1349295687 /nfs/dbraw/zinc/29/56/87/1349295687.db2.gz TXUASJXVBIPASS-CQSZACIVSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590478996 1349350302 /nfs/dbraw/zinc/35/03/02/1349350302.db2.gz JMCLZQYCUZPWPS-LBPRGKRZSA-N -1 1 335.433 2.282 20 0 EEADMM CCC1CCC(N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590504724 1349358523 /nfs/dbraw/zinc/35/85/23/1349358523.db2.gz KVEMZGYZGPDQOG-UHFFFAOYSA-N -1 1 349.464 2.433 20 0 EEADMM CCC1CCC(N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590504724 1349358530 /nfs/dbraw/zinc/35/85/30/1349358530.db2.gz KVEMZGYZGPDQOG-UHFFFAOYSA-N -1 1 349.464 2.433 20 0 EEADMM CC[C@H]1CCCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001590513046 1349361544 /nfs/dbraw/zinc/36/15/44/1349361544.db2.gz NHJCEOJQVMRVGP-NSHDSACASA-N -1 1 345.407 2.314 20 0 EEADMM CCN(C)[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001590677919 1349385809 /nfs/dbraw/zinc/38/58/09/1349385809.db2.gz BCGYCRMMDNHBGW-OAHLLOKOSA-N -1 1 341.371 2.196 20 0 EEADMM CCN(C)[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001590677919 1349385816 /nfs/dbraw/zinc/38/58/16/1349385816.db2.gz BCGYCRMMDNHBGW-OAHLLOKOSA-N -1 1 341.371 2.196 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001590868272 1349406681 /nfs/dbraw/zinc/40/66/81/1349406681.db2.gz JCVVRGUHQQEKHS-NSHDSACASA-N -1 1 349.441 2.358 20 0 EEADMM CCc1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cc(Cl)n1 ZINC001590881247 1349408509 /nfs/dbraw/zinc/40/85/09/1349408509.db2.gz PRLOTRHOZVYYGM-UHFFFAOYSA-N -1 1 349.807 2.495 20 0 EEADMM CCc1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cc(Cl)n1 ZINC001590881247 1349408513 /nfs/dbraw/zinc/40/85/13/1349408513.db2.gz PRLOTRHOZVYYGM-UHFFFAOYSA-N -1 1 349.807 2.495 20 0 EEADMM CN(C(=O)c1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993446 1349427934 /nfs/dbraw/zinc/42/79/34/1349427934.db2.gz DWXLHZVJLOAJLG-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591346168 1349465412 /nfs/dbraw/zinc/46/54/12/1349465412.db2.gz RSSGJMJIDJDMSX-WRHMKCCWSA-N -1 1 348.410 2.275 20 0 EEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591346168 1349465417 /nfs/dbraw/zinc/46/54/17/1349465417.db2.gz RSSGJMJIDJDMSX-WRHMKCCWSA-N -1 1 348.410 2.275 20 0 EEADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001591354853 1349469037 /nfs/dbraw/zinc/46/90/37/1349469037.db2.gz LGIKGSLNDOEXOP-JQWIXIFHSA-N -1 1 331.376 2.106 20 0 EEADMM COCCOc1ccc(NCc2cccc(-c3nnn[n-]3)n2)cc1F ZINC001591445328 1349485124 /nfs/dbraw/zinc/48/51/24/1349485124.db2.gz KTVMHICDARBECE-UHFFFAOYSA-N -1 1 344.350 2.038 20 0 EEADMM COCCOc1ccc(NCc2cccc(-c3nn[n-]n3)n2)cc1F ZINC001591445328 1349485126 /nfs/dbraw/zinc/48/51/26/1349485126.db2.gz KTVMHICDARBECE-UHFFFAOYSA-N -1 1 344.350 2.038 20 0 EEADMM CSc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001591716672 1349534185 /nfs/dbraw/zinc/53/41/85/1349534185.db2.gz YYYVHUONHSREMA-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc2c(c1)CCO2 ZINC001591732990 1349536767 /nfs/dbraw/zinc/53/67/67/1349536767.db2.gz SRWFAINARAZLIW-SECBINFHSA-N -1 1 326.312 2.313 20 0 EEADMM Cc1cc(C(F)(F)F)ncc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591939317 1349563552 /nfs/dbraw/zinc/56/35/52/1349563552.db2.gz KGQBKRBAICKCTO-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC2(CC1)C(F)(F)C2(F)F ZINC001592110420 1349592859 /nfs/dbraw/zinc/59/28/59/1349592859.db2.gz PBNPGHSEALCLCO-UHFFFAOYSA-N -1 1 342.300 2.441 20 0 EEADMM Cc1[nH]nc(NC(=O)CSc2ccc(C)cc2C)c1-c1nn[n-]n1 ZINC001592196823 1349604056 /nfs/dbraw/zinc/60/40/56/1349604056.db2.gz NHTGDUXIXAJIDX-UHFFFAOYSA-N -1 1 343.416 2.246 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nnn[n-]1)CCO2 ZINC001592203865 1349607652 /nfs/dbraw/zinc/60/76/52/1349607652.db2.gz LZSFZVMMMZXMTN-UHFFFAOYSA-N -1 1 341.396 2.271 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nn[n-]n1)CCO2 ZINC001592203865 1349607655 /nfs/dbraw/zinc/60/76/55/1349607655.db2.gz LZSFZVMMMZXMTN-UHFFFAOYSA-N -1 1 341.396 2.271 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC001592233017 1349613098 /nfs/dbraw/zinc/61/30/98/1349613098.db2.gz ZWHDXUXHAFHRQM-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC001592233017 1349613101 /nfs/dbraw/zinc/61/31/01/1349613101.db2.gz ZWHDXUXHAFHRQM-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1sc2ncnc(NCc3ccnc(-c4nnn[n-]4)c3)c2c1C ZINC001592519280 1349645078 /nfs/dbraw/zinc/64/50/78/1349645078.db2.gz CZWXFANHOXJINQ-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1sc2ncnc(NCc3ccnc(-c4nn[n-]n4)c3)c2c1C ZINC001592519280 1349645082 /nfs/dbraw/zinc/64/50/82/1349645082.db2.gz CZWXFANHOXJINQ-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Clc1ccccc1-n1cc(Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001592535548 1349650545 /nfs/dbraw/zinc/65/05/45/1349650545.db2.gz FMUJVALRVHMHJT-UHFFFAOYSA-N -1 1 338.762 2.266 20 0 EEADMM Clc1ccccc1-n1cc(Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001592535548 1349650547 /nfs/dbraw/zinc/65/05/47/1349650547.db2.gz FMUJVALRVHMHJT-UHFFFAOYSA-N -1 1 338.762 2.266 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001592542196 1349653834 /nfs/dbraw/zinc/65/38/34/1349653834.db2.gz CYMGOWZGHJNUCK-LBPRGKRZSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001592542196 1349653842 /nfs/dbraw/zinc/65/38/42/1349653842.db2.gz CYMGOWZGHJNUCK-LBPRGKRZSA-N -1 1 340.391 2.024 20 0 EEADMM Clc1sc(N2CCC([C@H]3CCCO3)CC2)nc1-c1nn[n-]n1 ZINC001592541533 1349654294 /nfs/dbraw/zinc/65/42/94/1349654294.db2.gz CCIMRLIMONWXMA-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM O=C(CCCc1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592837288 1349718277 /nfs/dbraw/zinc/71/82/77/1349718277.db2.gz RVKLWMUWXOORCH-UHFFFAOYSA-N -1 1 326.335 2.362 20 0 EEADMM O=C(CCCc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592837288 1349718280 /nfs/dbraw/zinc/71/82/80/1349718280.db2.gz RVKLWMUWXOORCH-UHFFFAOYSA-N -1 1 326.335 2.362 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)c1cccs1 ZINC001592936739 1349728282 /nfs/dbraw/zinc/72/82/82/1349728282.db2.gz ZWDVCXVVNBJLAJ-UHFFFAOYSA-N -1 1 343.393 2.188 20 0 EEADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)c1csc2ccccc12 ZINC001592937957 1349728479 /nfs/dbraw/zinc/72/84/79/1349728479.db2.gz SDIDXGLWBOFUQL-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C([O-])[C@@H]1CCCCCC[C@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593274966 1349758171 /nfs/dbraw/zinc/75/81/71/1349758171.db2.gz SHUWKDUWXDAMPA-VXGBXAGGSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593282535 1349760764 /nfs/dbraw/zinc/76/07/64/1349760764.db2.gz XVEFFNCAIFSWFR-WCFLWFBJSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593282535 1349760765 /nfs/dbraw/zinc/76/07/65/1349760765.db2.gz XVEFFNCAIFSWFR-WCFLWFBJSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H](c1ncccn1)C1CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593281544 1349761152 /nfs/dbraw/zinc/76/11/52/1349761152.db2.gz JKFFTNPDNKNRNJ-CYBMUJFWSA-N -1 1 340.343 2.338 20 0 EEADMM O=C(O[C@@H](c1ncccn1)C1CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593281544 1349761155 /nfs/dbraw/zinc/76/11/55/1349761155.db2.gz JKFFTNPDNKNRNJ-CYBMUJFWSA-N -1 1 340.343 2.338 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593304903 1349775503 /nfs/dbraw/zinc/77/55/03/1349775503.db2.gz BFAMXBNAKOHZPL-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593304903 1349775508 /nfs/dbraw/zinc/77/55/08/1349775508.db2.gz BFAMXBNAKOHZPL-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593309441 1349777519 /nfs/dbraw/zinc/77/75/19/1349777519.db2.gz GIFFBSMCTWQISJ-UHFFFAOYSA-N -1 1 336.286 2.168 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593309441 1349777523 /nfs/dbraw/zinc/77/75/23/1349777523.db2.gz GIFFBSMCTWQISJ-UHFFFAOYSA-N -1 1 336.286 2.168 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2ccccn2)C1 ZINC001593349896 1349788489 /nfs/dbraw/zinc/78/84/89/1349788489.db2.gz IWRZNBRKMBYHRV-LLVKDONJSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2ccccn2)C1 ZINC001593349896 1349788492 /nfs/dbraw/zinc/78/84/92/1349788492.db2.gz IWRZNBRKMBYHRV-LLVKDONJSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c(F)cccc2C1 ZINC001593349674 1349788567 /nfs/dbraw/zinc/78/85/67/1349788567.db2.gz BWBFJKNUKUOIDR-UHFFFAOYSA-N -1 1 341.321 2.343 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c(F)cccc2C1 ZINC001593349674 1349788569 /nfs/dbraw/zinc/78/85/69/1349788569.db2.gz BWBFJKNUKUOIDR-UHFFFAOYSA-N -1 1 341.321 2.343 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cnc3ccccc3c1)CCC2 ZINC001593490141 1349816844 /nfs/dbraw/zinc/81/68/44/1349816844.db2.gz BWADMBOPWNUYCA-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM c1c(N[C@H]2CCOC23CCCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543184 1349837998 /nfs/dbraw/zinc/83/79/98/1349837998.db2.gz FKNIIEMANDFXLC-LBPRGKRZSA-N -1 1 327.392 2.048 20 0 EEADMM c1c(N[C@H]2CCOC23CCCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543184 1349838002 /nfs/dbraw/zinc/83/80/02/1349838002.db2.gz FKNIIEMANDFXLC-LBPRGKRZSA-N -1 1 327.392 2.048 20 0 EEADMM c1c2c(oc1-c1ccccc1)CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001593568721 1349854928 /nfs/dbraw/zinc/85/49/28/1349854928.db2.gz YYRACRXUEJBZOO-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001593568721 1349854929 /nfs/dbraw/zinc/85/49/29/1349854929.db2.gz YYRACRXUEJBZOO-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1ccnc(-c2nn[n-]n2)n1 ZINC001593580718 1349861519 /nfs/dbraw/zinc/86/15/19/1349861519.db2.gz PYSFEZNWIDJEQP-GFCCVEGCSA-N -1 1 326.385 2.063 20 0 EEADMM Cc1nc(-c2ccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)cc2)n[nH]1 ZINC001598299915 1349937070 /nfs/dbraw/zinc/93/70/70/1349937070.db2.gz PACYSFAVUVIMND-UHFFFAOYSA-N -1 1 336.355 2.405 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC001599878026 1349948780 /nfs/dbraw/zinc/94/87/80/1349948780.db2.gz ACHFSEHFZNMZQM-HUUCEWRRSA-N -1 1 330.428 2.020 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](c2nnc[nH]2)c2ccccc2)n1C ZINC001599995320 1349951885 /nfs/dbraw/zinc/95/18/85/1349951885.db2.gz MVFWHTFQFQKGAI-HNNXBMFYSA-N -1 1 325.372 2.029 20 0 EEADMM Cc1cc(C2OCCO2)c(C)cc1CN1CCOC[C@@H]1CC(=O)[O-] ZINC001600183753 1349987649 /nfs/dbraw/zinc/98/76/49/1349987649.db2.gz DLDRGZYBQUMWPE-HNNXBMFYSA-N -1 1 335.400 2.024 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001600186047 1349988232 /nfs/dbraw/zinc/98/82/32/1349988232.db2.gz OPXWYTZPXASWHG-UHFFFAOYSA-N -1 1 339.307 2.340 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001600346464 1350025617 /nfs/dbraw/zinc/02/56/17/1350025617.db2.gz XPJARHSLAUJKPZ-UHFFFAOYSA-N -1 1 349.364 2.135 20 0 EEADMM Cc1ccc(CN(C(=O)CN[C@](C)(CCF)C(=O)[O-])C2CC2)cc1 ZINC001600410065 1350043686 /nfs/dbraw/zinc/04/36/86/1350043686.db2.gz LGGANALZQOTSCH-GOSISDBHSA-N -1 1 336.407 2.279 20 0 EEADMM Cc1csc2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc(=O)n12 ZINC001600665556 1350113203 /nfs/dbraw/zinc/11/32/03/1350113203.db2.gz YVZMICIOGGJQRA-IHRRRGAJSA-N -1 1 347.440 2.140 20 0 EEADMM Cc1nc(CN[C@@]2(CC(=O)[O-])CCCOC2)sc1Br ZINC001600702077 1350118440 /nfs/dbraw/zinc/11/84/40/1350118440.db2.gz HVDNCFGEFYEAKB-GFCCVEGCSA-N -1 1 349.250 2.328 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@H]3CCCn4nc(C(=O)[O-])cc43)c2[nH]1 ZINC001600720513 1350120688 /nfs/dbraw/zinc/12/06/88/1350120688.db2.gz HDCFYRZRWROVQR-NSHDSACASA-N -1 1 339.355 2.031 20 0 EEADMM Cc1nccnc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001600756890 1350130205 /nfs/dbraw/zinc/13/02/05/1350130205.db2.gz HBJCAXROHOAWEE-CYBMUJFWSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001600820467 1350144266 /nfs/dbraw/zinc/14/42/66/1350144266.db2.gz JWQRNAKZHDLLQX-OAHLLOKOSA-N -1 1 339.351 2.404 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)Cc1cnc[nH]1)Cc1ccc2ccccc2c1 ZINC001601371878 1350269266 /nfs/dbraw/zinc/26/92/66/1350269266.db2.gz CRUYDLGULFGQLB-MRXNPFEDSA-N -1 1 337.379 2.165 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1[nH]nc2ccccc21 ZINC001601375607 1350269725 /nfs/dbraw/zinc/26/97/25/1350269725.db2.gz STGGOYPPSFHWQD-MRXNPFEDSA-N -1 1 341.342 2.057 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)Cc1ccccc1 ZINC001601464938 1350289722 /nfs/dbraw/zinc/28/97/22/1350289722.db2.gz MLNSNXDQLIYTSV-HUUCEWRRSA-N -1 1 342.399 2.030 20 0 EEADMM O=C([O-])c1n[nH]cc1NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001601580810 1350312250 /nfs/dbraw/zinc/31/22/50/1350312250.db2.gz VCHNQPOZNOCODX-UHFFFAOYSA-N -1 1 331.719 2.404 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001601660389 1350330843 /nfs/dbraw/zinc/33/08/43/1350330843.db2.gz UVULOYUKJIXVGT-WFASDCNBSA-N -1 1 332.331 2.208 20 0 EEADMM O=C([O-])C1([C@]2(O)CCCN(Cc3scnc3Cl)C2)CCC1 ZINC001601704755 1350342856 /nfs/dbraw/zinc/34/28/56/1350342856.db2.gz ASCJLYFCQSTZMN-AWEZNQCLSA-N -1 1 330.837 2.378 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CC3(CCOCC3)[C@@H]2c2ccco2)C1(F)F ZINC001601752070 1350356044 /nfs/dbraw/zinc/35/60/44/1350356044.db2.gz RXKXSJMKGDJADN-WXHSDQCUSA-N -1 1 327.327 2.399 20 0 EEADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC001601759687 1350358383 /nfs/dbraw/zinc/35/83/83/1350358383.db2.gz WJXUNSMOJQIHNT-ZFWWWQNUSA-N -1 1 334.391 2.286 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001601864929 1350384996 /nfs/dbraw/zinc/38/49/96/1350384996.db2.gz UBXSAJXIUSDUSF-DLBZAZTESA-N -1 1 349.333 2.215 20 0 EEADMM O=C([O-])CC1(CNS(=O)(=O)c2cc(O)cc(F)c2)CCCCC1 ZINC001601921880 1350398360 /nfs/dbraw/zinc/39/83/60/1350398360.db2.gz FSZUNQGGLSXLBX-UHFFFAOYSA-N -1 1 345.392 2.235 20 0 EEADMM O=C([O-])CSc1ccc(OS(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC001602103973 1350438900 /nfs/dbraw/zinc/43/89/00/1350438900.db2.gz XKGHSTPCSNGPQI-UHFFFAOYSA-N -1 1 348.789 2.008 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)C1 ZINC001602214132 1350467957 /nfs/dbraw/zinc/46/79/57/1350467957.db2.gz QZWIFILLVXKHBK-RBZYPMLTSA-N -1 1 329.356 2.464 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1cc2ccccc2[nH]c1=O ZINC001602307633 1350489914 /nfs/dbraw/zinc/48/99/14/1350489914.db2.gz CAIUTRZXUNVKKO-CQSZACIVSA-N -1 1 338.367 2.460 20 0 EEADMM O=C([O-])c1ccc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)s1 ZINC001602371632 1350505527 /nfs/dbraw/zinc/50/55/27/1350505527.db2.gz RDSIUAHSYPINPD-HNNXBMFYSA-N -1 1 346.452 2.172 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001602417713 1350514528 /nfs/dbraw/zinc/51/45/28/1350514528.db2.gz OMGOLWIXDKXSDA-UHFFFAOYSA-N -1 1 348.362 2.297 20 0 EEADMM O=C([O-])c1cccc2c1CN(CCn1cnc3ccccc3c1=O)CC2 ZINC001602459810 1350524331 /nfs/dbraw/zinc/52/43/31/1350524331.db2.gz DIQJYMWRZPCLLC-UHFFFAOYSA-N -1 1 349.390 2.153 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001602629163 1350561416 /nfs/dbraw/zinc/56/14/16/1350561416.db2.gz IDFUISPCRLTKLR-SWLSCSKDSA-N -1 1 348.365 2.259 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001602629163 1350561419 /nfs/dbraw/zinc/56/14/19/1350561419.db2.gz IDFUISPCRLTKLR-SWLSCSKDSA-N -1 1 348.365 2.259 20 0 EEADMM CC(=O)Nc1cccc([C@H](C)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001602956606 1350610473 /nfs/dbraw/zinc/61/04/73/1350610473.db2.gz VKFZVUSKSXCUKK-VIFPVBQESA-N -1 1 343.416 2.132 20 0 EEADMM CC(=O)Nc1cccc([C@H](C)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001602956606 1350610477 /nfs/dbraw/zinc/61/04/77/1350610477.db2.gz VKFZVUSKSXCUKK-VIFPVBQESA-N -1 1 343.416 2.132 20 0 EEADMM CC(C)(C)OC(=O)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603084797 1350637008 /nfs/dbraw/zinc/63/70/08/1350637008.db2.gz AVURZNNBJKHGRJ-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603111466 1350642979 /nfs/dbraw/zinc/64/29/79/1350642979.db2.gz LOPJEASBJVBZTB-NXEZZACHSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603111466 1350642984 /nfs/dbraw/zinc/64/29/84/1350642984.db2.gz LOPJEASBJVBZTB-NXEZZACHSA-N -1 1 335.358 2.443 20 0 EEADMM C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603179504 1350656234 /nfs/dbraw/zinc/65/62/34/1350656234.db2.gz OVBOVHJVFTYLMN-KMLBCRHOSA-N -1 1 342.317 2.295 20 0 EEADMM CC(C)[C@H]1N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC12CCCC2 ZINC001603249208 1350671465 /nfs/dbraw/zinc/67/14/65/1350671465.db2.gz ICNZDFGMAHGDFB-MRXNPFEDSA-N -1 1 340.431 2.231 20 0 EEADMM CC(C)[C@H]1N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC12CCCC2 ZINC001603249208 1350671469 /nfs/dbraw/zinc/67/14/69/1350671469.db2.gz ICNZDFGMAHGDFB-MRXNPFEDSA-N -1 1 340.431 2.231 20 0 EEADMM CC(C)(C)N1CC[C@@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001603344929 1350691160 /nfs/dbraw/zinc/69/11/60/1350691160.db2.gz WUHYIHSNYRUXIR-DZGCQCFKSA-N -1 1 336.407 2.058 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603483606 1350711186 /nfs/dbraw/zinc/71/11/86/1350711186.db2.gz WQKISLHYWNLLBV-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603483606 1350711195 /nfs/dbraw/zinc/71/11/95/1350711195.db2.gz WQKISLHYWNLLBV-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001603726313 1350751485 /nfs/dbraw/zinc/75/14/85/1350751485.db2.gz GLOOQQCROLXIBP-GFCCVEGCSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001603726313 1350751488 /nfs/dbraw/zinc/75/14/88/1350751488.db2.gz GLOOQQCROLXIBP-GFCCVEGCSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603735520 1350754828 /nfs/dbraw/zinc/75/48/28/1350754828.db2.gz RQYBMEVPQFSGTP-QMTHXVAHSA-N -1 1 343.412 2.275 20 0 EEADMM C[C@H]1CC(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@H](C)C1 ZINC001603845844 1350781220 /nfs/dbraw/zinc/78/12/20/1350781220.db2.gz MSUVHAVRBUAXPD-RKDXNWHRSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603868282 1350787572 /nfs/dbraw/zinc/78/75/72/1350787572.db2.gz URBMKYAGBWVMDY-SUMWQHHRSA-N -1 1 348.410 2.414 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603868282 1350787577 /nfs/dbraw/zinc/78/75/77/1350787577.db2.gz URBMKYAGBWVMDY-SUMWQHHRSA-N -1 1 348.410 2.414 20 0 EEADMM CC(C)N(C)c1ccccc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603871412 1350787817 /nfs/dbraw/zinc/78/78/17/1350787817.db2.gz MNPXWTZPNBOQLV-UHFFFAOYSA-N -1 1 349.412 2.425 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603885045 1350792450 /nfs/dbraw/zinc/79/24/50/1350792450.db2.gz VRKCJLZWTDHFAW-GHMZBOCLSA-N -1 1 335.433 2.482 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603885045 1350792458 /nfs/dbraw/zinc/79/24/58/1350792458.db2.gz VRKCJLZWTDHFAW-GHMZBOCLSA-N -1 1 335.433 2.482 20 0 EEADMM CC(C)OC(=O)C1CCN(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001603908412 1350800583 /nfs/dbraw/zinc/80/05/83/1350800583.db2.gz QZIHLGHHDGROBS-UHFFFAOYSA-N -1 1 335.400 2.427 20 0 EEADMM C[C@@H]1Cc2cccc(C(=O)OCc3nc(-c4nnn[n-]4)cs3)c2O1 ZINC001603952064 1350812484 /nfs/dbraw/zinc/81/24/84/1350812484.db2.gz BWRBUXSLCYXGGU-MRVPVSSYSA-N -1 1 343.368 2.004 20 0 EEADMM C[C@@H]1Cc2cccc(C(=O)OCc3nc(-c4nn[n-]n4)cs3)c2O1 ZINC001603952064 1350812487 /nfs/dbraw/zinc/81/24/87/1350812487.db2.gz BWRBUXSLCYXGGU-MRVPVSSYSA-N -1 1 343.368 2.004 20 0 EEADMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604000907 1350826301 /nfs/dbraw/zinc/82/63/01/1350826301.db2.gz PDPHVJUYKABKMG-DTWKUNHWSA-N -1 1 329.451 2.031 20 0 EEADMM CCC(CC)CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604025998 1350832257 /nfs/dbraw/zinc/83/22/57/1350832257.db2.gz YPRUSPRURHCJAS-UHFFFAOYSA-N -1 1 342.325 2.447 20 0 EEADMM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1O ZINC001604058749 1350842871 /nfs/dbraw/zinc/84/28/71/1350842871.db2.gz FXGHPHGNTJIOFC-VROIDLATSA-N -1 1 332.125 2.053 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1ccn(C)n1 ZINC001604072331 1350847373 /nfs/dbraw/zinc/84/73/73/1350847373.db2.gz QAMXUDJQZWKELZ-RYUDHWBXSA-N -1 1 330.388 2.186 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604086725 1350851935 /nfs/dbraw/zinc/85/19/35/1350851935.db2.gz WWDXADBEVFDRRC-OLZOCXBDSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604086725 1350851937 /nfs/dbraw/zinc/85/19/37/1350851937.db2.gz WWDXADBEVFDRRC-OLZOCXBDSA-N -1 1 331.376 2.012 20 0 EEADMM CCCN(C(=O)c1coc(CC)n1)c1snc(C)c1-c1nnn[n-]1 ZINC001604197834 1350890968 /nfs/dbraw/zinc/89/09/68/1350890968.db2.gz PFGHSFQYJDCYDF-UHFFFAOYSA-N -1 1 347.404 2.239 20 0 EEADMM CCCN(C(=O)c1coc(CC)n1)c1snc(C)c1-c1nn[n-]n1 ZINC001604197834 1350890970 /nfs/dbraw/zinc/89/09/70/1350890970.db2.gz PFGHSFQYJDCYDF-UHFFFAOYSA-N -1 1 347.404 2.239 20 0 EEADMM CCN(C[C@H]1CCOC1)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001604288898 1350910369 /nfs/dbraw/zinc/91/03/69/1350910369.db2.gz DGIKBIXKKBQSDG-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CCN(C[C@H]1CCOC1)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001604288898 1350910370 /nfs/dbraw/zinc/91/03/70/1350910370.db2.gz DGIKBIXKKBQSDG-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604319802 1350914682 /nfs/dbraw/zinc/91/46/82/1350914682.db2.gz NAWCSCFGHHKPDQ-UHFFFAOYSA-N -1 1 333.298 2.400 20 0 EEADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604319802 1350914685 /nfs/dbraw/zinc/91/46/85/1350914685.db2.gz NAWCSCFGHHKPDQ-UHFFFAOYSA-N -1 1 333.298 2.400 20 0 EEADMM CCOC(=O)c1cnn(CC2CCC(F)(F)CC2)c1-c1nn[n-]n1 ZINC001604390700 1350927906 /nfs/dbraw/zinc/92/79/06/1350927906.db2.gz KKJHKZZOFZFCIO-UHFFFAOYSA-N -1 1 340.334 2.065 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001604441355 1350938526 /nfs/dbraw/zinc/93/85/26/1350938526.db2.gz YTOIMDNVLAJBDU-DTORHVGOSA-N -1 1 339.197 2.004 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001604441355 1350938529 /nfs/dbraw/zinc/93/85/29/1350938529.db2.gz YTOIMDNVLAJBDU-DTORHVGOSA-N -1 1 339.197 2.004 20 0 EEADMM CCS(=O)(=O)CCCCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001604473685 1350945409 /nfs/dbraw/zinc/94/54/09/1350945409.db2.gz CCAMQKILXYIBEF-UHFFFAOYSA-N -1 1 344.462 2.298 20 0 EEADMM CCS(=O)(=O)CCCCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001604473685 1350945413 /nfs/dbraw/zinc/94/54/13/1350945413.db2.gz CCAMQKILXYIBEF-UHFFFAOYSA-N -1 1 344.462 2.298 20 0 EEADMM CCSc1cc(CNc2cc(-c3nnn[n-]3)nc(CC)n2)ccn1 ZINC001604482580 1350947246 /nfs/dbraw/zinc/94/72/46/1350947246.db2.gz CQWUJVYHLZXIHR-UHFFFAOYSA-N -1 1 342.432 2.338 20 0 EEADMM CCSc1cc(CNc2cc(-c3nn[n-]n3)nc(CC)n2)ccn1 ZINC001604482580 1350947248 /nfs/dbraw/zinc/94/72/48/1350947248.db2.gz CQWUJVYHLZXIHR-UHFFFAOYSA-N -1 1 342.432 2.338 20 0 EEADMM CCSc1ccccc1Cn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC001604484353 1350947675 /nfs/dbraw/zinc/94/76/75/1350947675.db2.gz NMZBHYAISSXETQ-UHFFFAOYSA-N -1 1 342.428 2.201 20 0 EEADMM CC[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001604500019 1350949810 /nfs/dbraw/zinc/94/98/10/1350949810.db2.gz SXZUHQOONNSAPL-NSHDSACASA-N -1 1 343.416 2.274 20 0 EEADMM CC[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001604500019 1350949815 /nfs/dbraw/zinc/94/98/15/1350949815.db2.gz SXZUHQOONNSAPL-NSHDSACASA-N -1 1 343.416 2.274 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC001604544074 1350958615 /nfs/dbraw/zinc/95/86/15/1350958615.db2.gz BEULXRJIGHNOCT-IBGZPJMESA-N -1 1 347.426 2.313 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC001604544074 1350958618 /nfs/dbraw/zinc/95/86/18/1350958618.db2.gz BEULXRJIGHNOCT-IBGZPJMESA-N -1 1 347.426 2.313 20 0 EEADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCN1C ZINC001604637112 1350974476 /nfs/dbraw/zinc/97/44/76/1350974476.db2.gz HBDNZHGPXXUFDF-NXEZZACHSA-N -1 1 340.449 2.062 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001604766651 1350999123 /nfs/dbraw/zinc/99/91/23/1350999123.db2.gz KHIAPYFSFDRPGQ-BJOHPYRUSA-N -1 1 331.347 2.229 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC1(C)C ZINC001604790985 1351004223 /nfs/dbraw/zinc/00/42/23/1351004223.db2.gz QDXBUZJJKCQKSF-KGLIPLIRSA-N -1 1 325.453 2.003 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001604791503 1351005688 /nfs/dbraw/zinc/00/56/88/1351005688.db2.gz YCPIZGGVKKDGGG-WBMJQRKESA-N -1 1 349.406 2.003 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1ccc(F)cc1F ZINC001604795135 1351006518 /nfs/dbraw/zinc/00/65/18/1351006518.db2.gz SEUSMSCCNFRGQD-JTQLQIEISA-N -1 1 343.399 2.142 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001604929703 1351033779 /nfs/dbraw/zinc/03/37/79/1351033779.db2.gz YKMKWWWMOITWKY-LESCRADOSA-N -1 1 332.444 2.482 20 0 EEADMM CC[C@H](CCc1ccccc1)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025312 1351058510 /nfs/dbraw/zinc/05/85/10/1351058510.db2.gz UMVHZTXOLSSYIV-GFCCVEGCSA-N -1 1 338.385 2.063 20 0 EEADMM COc1ccc(C(F)(F)C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605263194 1351118972 /nfs/dbraw/zinc/11/89/72/1351118972.db2.gz LFYYHLLIDOICKA-UHFFFAOYSA-N -1 1 346.297 2.001 20 0 EEADMM COc1ccc(C(F)(F)C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605263194 1351118974 /nfs/dbraw/zinc/11/89/74/1351118974.db2.gz LFYYHLLIDOICKA-UHFFFAOYSA-N -1 1 346.297 2.001 20 0 EEADMM COc1cccc2c1N(C(=O)c1coc(-c3nnn[n-]3)c1)CCC2 ZINC001605325016 1351137132 /nfs/dbraw/zinc/13/71/32/1351137132.db2.gz NNAHPHVJQLWHJZ-UHFFFAOYSA-N -1 1 325.328 2.061 20 0 EEADMM COc1cccc2c1N(C(=O)c1coc(-c3nn[n-]n3)c1)CCC2 ZINC001605325016 1351137135 /nfs/dbraw/zinc/13/71/35/1351137135.db2.gz NNAHPHVJQLWHJZ-UHFFFAOYSA-N -1 1 325.328 2.061 20 0 EEADMM COc1ncc(NC(=O)NC[C@H]2CCCC2(C)C)cc1-c1nn[n-]n1 ZINC001605347868 1351143033 /nfs/dbraw/zinc/14/30/33/1351143033.db2.gz QLBJWBOBHSOKKN-SNVBAGLBSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1nc(SCc2cncc(-c3nn[nH]n3)c2)[n-]c(=O)c1C1CC1 ZINC001605456497 1351162027 /nfs/dbraw/zinc/16/20/27/1351162027.db2.gz GRCNHKXSAFDUOJ-UHFFFAOYSA-N -1 1 341.400 2.235 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)C[C@H]1C ZINC001605470433 1351164911 /nfs/dbraw/zinc/16/49/11/1351164911.db2.gz TVWITQOAWAGMSH-ZJUUUORDSA-N -1 1 340.811 2.380 20 0 EEADMM CCOC(=O)[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C(C)C ZINC001605505144 1351173717 /nfs/dbraw/zinc/17/37/17/1351173717.db2.gz DEUJPTYDPCOMPE-LLVKDONJSA-N -1 1 333.344 2.035 20 0 EEADMM CCOC(=O)c1[nH]nc(NC(=O)c2ccccc2CCC(=O)[O-])c1C ZINC001605562046 1351190916 /nfs/dbraw/zinc/19/09/16/1351190916.db2.gz RAXXQCIZDABQMH-UHFFFAOYSA-N -1 1 345.355 2.164 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCOC3(CCC3)C2)n1 ZINC001605575468 1351192561 /nfs/dbraw/zinc/19/25/61/1351192561.db2.gz PEUBEYBMBXKXJJ-OAHLLOKOSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCOC3(CCC3)C2)n1 ZINC001605575468 1351192565 /nfs/dbraw/zinc/19/25/65/1351192565.db2.gz PEUBEYBMBXKXJJ-OAHLLOKOSA-N -1 1 329.408 2.116 20 0 EEADMM CCOC(=O)c1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])[nH]1 ZINC001605571856 1351192824 /nfs/dbraw/zinc/19/28/24/1351192824.db2.gz UNQPGDPUMIFEBW-INIZCTEOSA-N -1 1 328.368 2.203 20 0 EEADMM CCO[C@@H]1COCC[C@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001605615190 1351201734 /nfs/dbraw/zinc/20/17/34/1351201734.db2.gz CGHHCRCFPUCLCP-BZPMIXESSA-N -1 1 331.771 2.388 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2C[C@H]1CCCO1 ZINC001605667731 1351214038 /nfs/dbraw/zinc/21/40/38/1351214038.db2.gz YZDGARGKNOQSQI-SNVBAGLBSA-N -1 1 345.790 2.322 20 0 EEADMM Cc1cc(N2CC[C@H](N(C)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605693120 1351215880 /nfs/dbraw/zinc/21/58/80/1351215880.db2.gz HSYMQFQCHJTTPI-HNNXBMFYSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CC[C@H](N(C)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605693120 1351215882 /nfs/dbraw/zinc/21/58/82/1351215882.db2.gz HSYMQFQCHJTTPI-HNNXBMFYSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001605691374 1351216196 /nfs/dbraw/zinc/21/61/96/1351216196.db2.gz AMSQLOONUWZJPL-QGZVFWFLSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cc(N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001605691374 1351216200 /nfs/dbraw/zinc/21/62/00/1351216200.db2.gz AMSQLOONUWZJPL-QGZVFWFLSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(CC2CN(C(=O)Nc3ccnc(-c4nnn[n-]4)c3)C2)cc1 ZINC001605842002 1351234024 /nfs/dbraw/zinc/23/40/24/1351234024.db2.gz NQHVVGQNIUKPHI-UHFFFAOYSA-N -1 1 349.398 2.277 20 0 EEADMM Cc1ccc(CC2CN(C(=O)Nc3ccnc(-c4nn[n-]n4)c3)C2)cc1 ZINC001605842002 1351234027 /nfs/dbraw/zinc/23/40/27/1351234027.db2.gz NQHVVGQNIUKPHI-UHFFFAOYSA-N -1 1 349.398 2.277 20 0 EEADMM Cc1cccc(CCCOC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001605912400 1351252234 /nfs/dbraw/zinc/25/22/34/1351252234.db2.gz RFFYADUVDRWOES-UHFFFAOYSA-N -1 1 329.385 2.421 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccccc2C)c1-c1nnn[n-]1 ZINC001605939409 1351256990 /nfs/dbraw/zinc/25/69/90/1351256990.db2.gz UTDAYDBFXIAUMA-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccccc2C)c1-c1nn[n-]n1 ZINC001605939409 1351256993 /nfs/dbraw/zinc/25/69/93/1351256993.db2.gz UTDAYDBFXIAUMA-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001606115174 1351273137 /nfs/dbraw/zinc/27/31/37/1351273137.db2.gz BRBOTZZLDRAAKB-HZPDHXFCSA-N -1 1 341.367 2.165 20 0 EEADMM Cc1nsc(N(C)CCOc2ccccc2F)c1-c1nn[n-]n1 ZINC001606140815 1351278088 /nfs/dbraw/zinc/27/80/88/1351278088.db2.gz YUGNYCHEIIQVFJ-UHFFFAOYSA-N -1 1 334.380 2.286 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001606164725 1351280009 /nfs/dbraw/zinc/28/00/09/1351280009.db2.gz FDKLFTNDRVJOJV-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cc(F)cc(F)c1 ZINC001606164725 1351280014 /nfs/dbraw/zinc/28/00/14/1351280014.db2.gz FDKLFTNDRVJOJV-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Fc1cc(Br)cnc1Oc1cccnc1-c1nnn[n-]1 ZINC001606309260 1351291205 /nfs/dbraw/zinc/29/12/05/1351291205.db2.gz SHIGULYYFMXYTG-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Br)cnc1Oc1cccnc1-c1nn[n-]n1 ZINC001606309260 1351291207 /nfs/dbraw/zinc/29/12/07/1351291207.db2.gz SHIGULYYFMXYTG-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c(F)c1 ZINC001606317208 1351291827 /nfs/dbraw/zinc/29/18/27/1351291827.db2.gz VFHZTBSUBDKXTL-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c(F)c1 ZINC001606317208 1351291831 /nfs/dbraw/zinc/29/18/31/1351291831.db2.gz VFHZTBSUBDKXTL-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637808 1351335294 /nfs/dbraw/zinc/33/52/94/1351335294.db2.gz GDJKGYUBCHSDBG-SWLSCSKDSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637808 1351335298 /nfs/dbraw/zinc/33/52/98/1351335298.db2.gz 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ZINC001606913161 1351374578 /nfs/dbraw/zinc/37/45/78/1351374578.db2.gz CMXFUBHZHHSZQM-WWGRRREGSA-N -1 1 341.404 2.053 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001606934178 1351379725 /nfs/dbraw/zinc/37/97/25/1351379725.db2.gz WPVGUWAOMIHJLD-SDDRHHMPSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001606934178 1351379729 /nfs/dbraw/zinc/37/97/29/1351379729.db2.gz WPVGUWAOMIHJLD-SDDRHHMPSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1nccn1C1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606954393 1351383520 /nfs/dbraw/zinc/38/35/20/1351383520.db2.gz RGPKVDNSWVMXTH-UHFFFAOYSA-N -1 1 334.343 2.132 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1CC1CCCC1 ZINC001607022571 1351399776 /nfs/dbraw/zinc/39/97/76/1351399776.db2.gz VNHDYYPSTBFXCK-CYBMUJFWSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1CC1CCCC1 ZINC001607022571 1351399780 /nfs/dbraw/zinc/39/97/80/1351399780.db2.gz VNHDYYPSTBFXCK-CYBMUJFWSA-N 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0 EEADMM C[C@@H]1CCCC[C@H]1OCCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374282142 1376643525 /nfs/dbraw/zinc/64/35/25/1376643525.db2.gz KTISRYGKKNJAHI-NVXWUHKLSA-N -1 1 347.459 2.140 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(F)cc1F)NC(=O)c1ncccc1[O-] ZINC001375230379 1377518184 /nfs/dbraw/zinc/51/81/84/1377518184.db2.gz JLBYAYKCQJTSIS-NSHDSACASA-N -1 1 349.337 2.004 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001375840480 1378050073 /nfs/dbraw/zinc/05/00/73/1378050073.db2.gz GOKLQUFFLIPHEQ-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1=CCCC1 ZINC001375885205 1378106174 /nfs/dbraw/zinc/10/61/74/1378106174.db2.gz GIWYJOSRHGKKBF-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccccc1C ZINC001383678209 1382634953 /nfs/dbraw/zinc/63/49/53/1382634953.db2.gz UGOITJJHOHOVJG-CQSZACIVSA-N -1 1 341.411 2.376 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccsc1Cl ZINC001387696032 1386946852 /nfs/dbraw/zinc/94/68/52/1386946852.db2.gz NELVAOIIGAZERJ-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM C[C@H](CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1)C1CCCCC1 ZINC001387774210 1386993458 /nfs/dbraw/zinc/99/34/58/1386993458.db2.gz HVEIJJNLKXOVAU-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1=CCCCCC1 ZINC001391247725 1389166501 /nfs/dbraw/zinc/16/65/01/1389166501.db2.gz QCJRSWDIYTULFN-ZDUSSCGKSA-N -1 1 331.416 2.160 20 0 EEADMM CC(C)c1ocnc1CN(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001392647822 1390135026 /nfs/dbraw/zinc/13/50/26/1390135026.db2.gz NOKDRUBTEOPDNJ-GFCCVEGCSA-N -1 1 332.404 2.149 20 0 EEADMM CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001396891230 1390986469 /nfs/dbraw/zinc/98/64/69/1390986469.db2.gz VNDVLFBEEFQSGG-KGLIPLIRSA-N -1 1 333.432 2.477 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])cc1F ZINC001399361184 1395007324 /nfs/dbraw/zinc/00/73/24/1395007324.db2.gz YGRPYIQPVGEQDZ-LLVKDONJSA-N -1 1 345.374 2.031 20 0 EEADMM Cc1cccc(Cl)c1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001400288352 1396140502 /nfs/dbraw/zinc/14/05/02/1396140502.db2.gz PRTHPUHKKZLUIL-NSHDSACASA-N -1 1 347.802 2.297 20 0 EEADMM Cc1cc(C[N-]S(=O)(=O)c2cscc2Br)on1 ZINC001423644673 1400717951 /nfs/dbraw/zinc/71/79/51/1400717951.db2.gz LPBGTSLTFJOYDC-UHFFFAOYSA-N -1 1 337.220 2.286 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001426003649 1401845210 /nfs/dbraw/zinc/84/52/10/1401845210.db2.gz VORMAZPGTRBQFC-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CCNC(=O)CCc1cccs1)NC(=O)c1ncccc1[O-] ZINC001429017714 1402875525 /nfs/dbraw/zinc/87/55/25/1402875525.db2.gz DAPSJAJZDFPPQT-GFCCVEGCSA-N -1 1 347.440 2.106 20 0 EEADMM Cc1cc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])ccc1F ZINC001432963868 1403338088 /nfs/dbraw/zinc/33/80/88/1403338088.db2.gz RHYFMTQXVUTNOY-NSHDSACASA-N -1 1 345.374 2.031 20 0 EEADMM CCC[C@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)C(C)C ZINC001433864501 1403440300 /nfs/dbraw/zinc/44/03/00/1403440300.db2.gz GQCPXQULUFUJPJ-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H]1Cc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC001576382250 1403568972 /nfs/dbraw/zinc/56/89/72/1403568972.db2.gz CUWAMAPKFZSIMC-VIFPVBQESA-N -1 1 341.396 2.182 20 0 EEADMM CCc1ccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001578526250 1403767545 /nfs/dbraw/zinc/76/75/45/1403767545.db2.gz HWERUSAQKQRXTR-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM CCc1ccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001578526250 1403767548 /nfs/dbraw/zinc/76/75/48/1403767548.db2.gz HWERUSAQKQRXTR-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM CN(CCOc1ccccc1F)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579230074 1403779497 /nfs/dbraw/zinc/77/94/97/1403779497.db2.gz SRDXHROINUCWLS-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM COc1cc(Br)cc(Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001579888978 1403791488 /nfs/dbraw/zinc/79/14/88/1403791488.db2.gz YEBGBHNDEKUCNN-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Br)cc(Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001579888978 1403791494 /nfs/dbraw/zinc/79/14/94/1403791494.db2.gz YEBGBHNDEKUCNN-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580032722 1403813135 /nfs/dbraw/zinc/81/31/35/1403813135.db2.gz HYOFEMODFPRHOG-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580032722 1403813150 /nfs/dbraw/zinc/81/31/50/1403813150.db2.gz HYOFEMODFPRHOG-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM C[S@](=O)(=NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001580151626 1403837858 /nfs/dbraw/zinc/83/78/58/1403837858.db2.gz CXPVUUGKBWLAMX-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@](=O)(=NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001580151626 1403837880 /nfs/dbraw/zinc/83/78/80/1403837880.db2.gz CXPVUUGKBWLAMX-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM CCNC(=O)N(C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001590742540 1403891501 /nfs/dbraw/zinc/89/15/01/1403891501.db2.gz TVNAKKYUXYWMQY-UHFFFAOYSA-N -1 1 341.375 2.238 20 0 EEADMM CCNC(=O)N(C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001590742540 1403891508 /nfs/dbraw/zinc/89/15/08/1403891508.db2.gz TVNAKKYUXYWMQY-UHFFFAOYSA-N -1 1 341.375 2.238 20 0 EEADMM COC(=O)c1ccc(Oc2ccncc2-c2nn[n-]n2)c(Cl)c1 ZINC001591298399 1403904775 /nfs/dbraw/zinc/90/47/75/1403904775.db2.gz ODDMOVPVXHRQBU-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COc1ccccc1OCCCNc1cccnc1-c1nnn[n-]1 ZINC001591652158 1403934317 /nfs/dbraw/zinc/93/43/17/1403934317.db2.gz BTAXVTGIUSNVGR-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM COc1ccccc1OCCCNc1cccnc1-c1nn[n-]n1 ZINC001591652158 1403934329 /nfs/dbraw/zinc/93/43/29/1403934329.db2.gz BTAXVTGIUSNVGR-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001591846294 1403962773 /nfs/dbraw/zinc/96/27/73/1403962773.db2.gz IOFBTZLFRNHTFY-BMIGLBTASA-N -1 1 329.404 2.169 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(c3ccc(F)cc3F)CC2)n1 ZINC001591894969 1403968939 /nfs/dbraw/zinc/96/89/39/1403968939.db2.gz KDJXFJBTNAMGTL-UHFFFAOYSA-N -1 1 343.341 2.387 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(c3ccc(F)cc3F)CC2)n1 ZINC001591894969 1403968946 /nfs/dbraw/zinc/96/89/46/1403968946.db2.gz KDJXFJBTNAMGTL-UHFFFAOYSA-N -1 1 343.341 2.387 20 0 EEADMM Cc1noc([C@@H]2CCCN2c2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001592461351 1404697367 /nfs/dbraw/zinc/69/73/67/1404697367.db2.gz SGTQFSUCOHSOEV-LURJTMIESA-N -1 1 338.784 2.010 20 0 EEADMM Cc1noc([C@@H]2CCCN2c2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592461351 1404697379 /nfs/dbraw/zinc/69/73/79/1404697379.db2.gz SGTQFSUCOHSOEV-LURJTMIESA-N -1 1 338.784 2.010 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)OCc2ccccc2)c1-c1nnn[n-]1 ZINC001592482018 1404701115 /nfs/dbraw/zinc/70/11/15/1404701115.db2.gz NWEBHYACENMDHR-JTQLQIEISA-N -1 1 344.400 2.175 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)OCc2ccccc2)c1-c1nn[n-]n1 ZINC001592482018 1404701120 /nfs/dbraw/zinc/70/11/20/1404701120.db2.gz NWEBHYACENMDHR-JTQLQIEISA-N -1 1 344.400 2.175 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C2CCCC2)C1 ZINC001592914107 1404729585 /nfs/dbraw/zinc/72/95/85/1404729585.db2.gz XFCJNDVPQCFGMR-HNNXBMFYSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C2CCCC2)C1 ZINC001592914107 1404729590 /nfs/dbraw/zinc/72/95/90/1404729590.db2.gz XFCJNDVPQCFGMR-HNNXBMFYSA-N -1 1 340.431 2.233 20 0 EEADMM Cc1nsc(NC(=O)N2CCCc3occc3C2)c1-c1nnn[n-]1 ZINC001606149315 1404769521 /nfs/dbraw/zinc/76/95/21/1404769521.db2.gz MQXRDFLXXKSROR-UHFFFAOYSA-N -1 1 345.388 2.205 20 0 EEADMM Cc1nsc(NC(=O)N2CCCc3occc3C2)c1-c1nn[n-]n1 ZINC001606149315 1404769522 /nfs/dbraw/zinc/76/95/22/1404769522.db2.gz MQXRDFLXXKSROR-UHFFFAOYSA-N -1 1 345.388 2.205 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001606149371 1404769538 /nfs/dbraw/zinc/76/95/38/1404769538.db2.gz OEBUXWSMXDXZHU-ZCFIWIBFSA-N -1 1 347.404 2.369 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001606149371 1404769540 /nfs/dbraw/zinc/76/95/40/1404769540.db2.gz OEBUXWSMXDXZHU-ZCFIWIBFSA-N -1 1 347.404 2.369 20 0 EEADMM CN(Cc1cccc(C(=O)[O-])n1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001606165998 1404771043 /nfs/dbraw/zinc/77/10/43/1404771043.db2.gz MEGQDCNRKFVONZ-UHFFFAOYSA-N -1 1 335.404 2.267 20 0 EEADMM COC(=O)/C(C)=C\CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001606320049 1404791390 /nfs/dbraw/zinc/79/13/90/1404791390.db2.gz CJBIYMIREXTXJZ-XURPKSDJSA-N -1 1 327.764 2.183 20 0 EEADMM O=C(Cc1cccnc1)Nc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC001638304830 1404815464 /nfs/dbraw/zinc/81/54/64/1404815464.db2.gz YSJPMAAPUUXFPL-UHFFFAOYSA-N -1 1 348.362 2.038 20 0 EEADMM COC(=O)c1cccc([N-]S(=O)(=O)CCC(F)(F)F)c1F ZINC000117386529 1404900172 /nfs/dbraw/zinc/90/01/72/1404900172.db2.gz RILHXEQMAGJRBX-UHFFFAOYSA-N -1 1 329.271 2.306 20 0 EEADMM CN(CC(C)(C)CNC(=O)[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001755990017 1408059386 /nfs/dbraw/zinc/05/93/86/1408059386.db2.gz AZPMQFHMGOJSQJ-AWEZNQCLSA-N -1 1 345.443 2.358 20 0 EEADMM O=C(N[C@@H](c1ncon1)C1CC1)c1cc(Br)ccc1[O-] ZINC001772469806 1410199619 /nfs/dbraw/zinc/19/96/19/1410199619.db2.gz HANBVQRNZAWYTK-LLVKDONJSA-N -1 1 338.161 2.419 20 0 EEADMM CC1(C)CCCC[C@H]1CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000995246495 782438308 /nfs/dbraw/zinc/43/83/08/782438308.db2.gz TYMBJLDIUXQSJA-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2CCCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087116535 757636731 /nfs/dbraw/zinc/63/67/31/757636731.db2.gz HFSZMLIZNXLYOD-HIFRSBDPSA-N -1 1 349.479 2.197 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167584572 760456006 /nfs/dbraw/zinc/45/60/06/760456006.db2.gz YIEBTENWZONNNG-KGLIPLIRSA-N -1 1 349.479 2.103 20 0 EEADMM CC[C@H]1CCCC[C@@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167584571 760456073 /nfs/dbraw/zinc/45/60/73/760456073.db2.gz YIEBTENWZONNNG-KBPBESRZSA-N -1 1 349.479 2.103 20 0 EEADMM CCCC[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000780384712 761467270 /nfs/dbraw/zinc/46/72/70/761467270.db2.gz KNUVQRNMCLFESZ-STQMWFEESA-N -1 1 327.450 2.293 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1coc(C2CC2)n1)c1ncccc1[O-] ZINC001027842902 773397384 /nfs/dbraw/zinc/39/73/84/773397384.db2.gz AGEAEDACNKXTPD-AWEZNQCLSA-N -1 1 342.399 2.047 20 0 EEADMM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000055597829 775591541 /nfs/dbraw/zinc/59/15/41/775591541.db2.gz OGSXTKISBSGBIZ-UHFFFAOYSA-N -1 1 335.360 2.156 20 0 EEADMM Cc1ccc(OCC[N-]S(=O)(=O)c2ncn(C)c2Cl)c(C)c1 ZINC000027959353 775628290 /nfs/dbraw/zinc/62/82/90/775628290.db2.gz HZCKZGJZMLVDJX-UHFFFAOYSA-N -1 1 343.836 2.048 20 0 EEADMM O=C([N-]OCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000069368806 776056703 /nfs/dbraw/zinc/05/67/03/776056703.db2.gz PZISORRKLXQERA-AWEZNQCLSA-N -1 1 328.343 2.427 20 0 EEADMM CCc1cccc(CN2CCCN(C(=O)c3n[nH]c(C)c3[O-])CC2)c1 ZINC000980982014 776254380 /nfs/dbraw/zinc/25/43/80/776254380.db2.gz SBTUJANDJWUQIJ-UHFFFAOYSA-N -1 1 342.443 2.334 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2nc(C3CCC3)ns2)C1 ZINC001058879011 777135447 /nfs/dbraw/zinc/13/54/47/777135447.db2.gz IDCKCCGOGUAHGX-NSHDSACASA-N -1 1 345.428 2.233 20 0 EEADMM CCCC(=O)N1CCC2(C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982245563 779356870 /nfs/dbraw/zinc/35/68/70/779356870.db2.gz QSOIDNBUPPLFSJ-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832689 779378469 /nfs/dbraw/zinc/37/84/69/779378469.db2.gz MGPFXAINYQUBHE-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832922 779378623 /nfs/dbraw/zinc/37/86/23/779378623.db2.gz QMVXUCGBKIWKRO-KUHUBIRLSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832962 779378660 /nfs/dbraw/zinc/37/86/60/779378660.db2.gz RWVUNXXKVBMWFY-AUUYWEPGSA-N -1 1 345.443 2.144 20 0 EEADMM Cc1cc(C)cc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c1 ZINC000060861713 790804660 /nfs/dbraw/zinc/80/46/60/790804660.db2.gz WBDJUMZZZBCZEX-ZSOIEALJSA-N -1 1 331.441 2.499 20 0 EEADMM CCc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060863294 790808063 /nfs/dbraw/zinc/80/80/63/790808063.db2.gz LWHBOEDTESSSLG-LCYFTJDESA-N -1 1 331.441 2.444 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cnc(C3CC3)nc2)Cc2ccccc2C1 ZINC001167936142 780998301 /nfs/dbraw/zinc/99/83/01/780998301.db2.gz WUJCVJNDAISOAB-UHFFFAOYSA-N -1 1 331.312 2.439 20 0 EEADMM Cc1nc2nc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)ccc2[nH]1 ZINC001167937122 781009308 /nfs/dbraw/zinc/00/93/08/781009308.db2.gz SJMTVHMGZFOKFI-UHFFFAOYSA-N -1 1 344.311 2.351 20 0 EEADMM Cc1nc2ccc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)nc2[nH]1 ZINC001167937122 781009318 /nfs/dbraw/zinc/00/93/18/781009318.db2.gz SJMTVHMGZFOKFI-UHFFFAOYSA-N -1 1 344.311 2.351 20 0 EEADMM Cc1nc2ccc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)nc2[nH]1 ZINC001167937122 781009325 /nfs/dbraw/zinc/00/93/25/781009325.db2.gz SJMTVHMGZFOKFI-UHFFFAOYSA-N -1 1 344.311 2.351 20 0 EEADMM O=C([O-])C(F)(F)CNS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000905998704 783629753 /nfs/dbraw/zinc/62/97/53/783629753.db2.gz AAJNHRXXGXPEEQ-UHFFFAOYSA-N -1 1 348.154 2.133 20 0 EEADMM C[C@@H](NC(=O)C1=CCCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945626867 784465006 /nfs/dbraw/zinc/46/50/06/784465006.db2.gz ZSSYKYPGSZAJOC-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(C/C=C\Cc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907476178 784644999 /nfs/dbraw/zinc/64/49/99/784644999.db2.gz MPKIZWGYJUGEAJ-ZRUQZJFASA-N -1 1 329.429 2.005 20 0 EEADMM O=C([C@H](F)CC1CCCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478294 784647542 /nfs/dbraw/zinc/64/75/42/784647542.db2.gz ILGADOAEQXVMPB-NEPJUHHUSA-N -1 1 327.429 2.125 20 0 EEADMM CCc1c2ccccc2oc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479282 784686137 /nfs/dbraw/zinc/68/61/37/784686137.db2.gz BASJZOWEJGYWCM-GFCCVEGCSA-N -1 1 343.412 2.439 20 0 EEADMM C[C@@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000907479351 784686331 /nfs/dbraw/zinc/68/63/31/784686331.db2.gz CNILOYXTDIABAW-SKDRFNHKSA-N -1 1 337.836 2.273 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] 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/nfs/dbraw/zinc/59/20/26/792592026.db2.gz PXTJGSAPLXLBQS-RYUDHWBXSA-N -1 1 345.378 2.117 20 0 EEADMM O=C(Nc1cnc2nccn2c1)c1cc([O-])c(Br)c(O)c1 ZINC001148984770 792842157 /nfs/dbraw/zinc/84/21/57/792842157.db2.gz SEQASBWTTPMXOW-UHFFFAOYSA-N -1 1 349.144 2.155 20 0 EEADMM COCCN(C(=O)c1cc([O-])c(Br)c(O)c1)C(C)C ZINC001148989030 792846951 /nfs/dbraw/zinc/84/69/51/792846951.db2.gz KMLHMYKTSDGUCH-UHFFFAOYSA-N -1 1 332.194 2.357 20 0 EEADMM COc1ccc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c([O-])c1 ZINC000186419525 793331783 /nfs/dbraw/zinc/33/17/83/793331783.db2.gz PYMDNBKALLRMDL-UHFFFAOYSA-N -1 1 332.331 2.494 20 0 EEADMM CC(=O)n1ncc2ccc(Nc3nc(N(C)C)[n-]c(=O)c3N=O)cc21 ZINC001212415188 793975455 /nfs/dbraw/zinc/97/54/55/793975455.db2.gz WPVOOFIGKGNJQM-UHFFFAOYSA-N -1 1 341.331 2.400 20 0 EEADMM CC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)c1ccccc1 ZINC000913788865 794279080 /nfs/dbraw/zinc/27/90/80/794279080.db2.gz PQEQGPGKUCZTPA-AWEZNQCLSA-N -1 1 325.368 2.451 20 0 EEADMM C[C@@H]1CN(Cc2ccc(F)cc2F)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611020 794989584 /nfs/dbraw/zinc/98/95/84/794989584.db2.gz KLEJAYOLOBYNLE-IAQYHMDHSA-N -1 1 347.365 2.316 20 0 EEADMM Cc1cnc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)s1 ZINC000993251510 796173311 /nfs/dbraw/zinc/17/33/11/796173311.db2.gz SIIVEIYIGKPNCM-CHWSQXEVSA-N -1 1 346.456 2.335 20 0 EEADMM O=C(NCCCNc1cc(Cl)nc(C2CC2)n1)c1ncccc1[O-] ZINC001094375794 796184048 /nfs/dbraw/zinc/18/40/48/796184048.db2.gz QQUNJXUSEZYIBT-UHFFFAOYSA-N -1 1 347.806 2.340 20 0 EEADMM O=C(NCCCNc1nc(C(F)(F)F)cs1)c1ncccc1[O-] ZINC001094375989 796184648 /nfs/dbraw/zinc/18/46/48/796184648.db2.gz ZCSPIMKWZCKPIN-UHFFFAOYSA-N -1 1 346.334 2.495 20 0 EEADMM Cc1cncc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000785672061 806552987 /nfs/dbraw/zinc/55/29/87/806552987.db2.gz OAZIFHINXZRIBS-UHFFFAOYSA-N -1 1 340.383 2.431 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1(CCF)CC1 ZINC001082022757 797081235 /nfs/dbraw/zinc/08/12/35/797081235.db2.gz NHZLVZSIVUZLJA-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM O=C(C=C1CCC1)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022885 797082095 /nfs/dbraw/zinc/08/20/95/797082095.db2.gz RHBCGUVMRXXYPF-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1)C(C)(C)C ZINC000993931272 797141700 /nfs/dbraw/zinc/14/17/00/797141700.db2.gz CAMYNUPQOKSFOM-HZSPNIEDSA-N -1 1 347.459 2.294 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CC1CCCC1)C(=O)c1ncccc1[O-] ZINC001002097193 797557782 /nfs/dbraw/zinc/55/77/82/797557782.db2.gz WZFNJLPEIKPUSG-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ccsc1)C(=O)c1ncccc1[O-] ZINC001002125145 797600777 /nfs/dbraw/zinc/60/07/77/797600777.db2.gz GUPZCGWALAGQRK-CYBMUJFWSA-N -1 1 345.424 2.226 20 0 EEADMM Nc1ccc(Cl)cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000916594310 797674068 /nfs/dbraw/zinc/67/40/68/797674068.db2.gz DXVZXQPJOBCBNJ-UHFFFAOYSA-N -1 1 332.743 2.036 20 0 EEADMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C1CCC1 ZINC001002202311 797703172 /nfs/dbraw/zinc/70/31/72/797703172.db2.gz JHGBRRWJANHKAQ-NGFQHRJXSA-N -1 1 343.427 2.085 20 0 EEADMM Nc1ccc(N)c(S(=O)(=O)[N-]c2ccnc(C(F)(F)F)c2)c1 ZINC001174364375 797748594 /nfs/dbraw/zinc/74/85/94/797748594.db2.gz YLHMEBJRUIZHOG-UHFFFAOYSA-N -1 1 332.307 2.066 20 0 EEADMM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)s1 ZINC000994307284 797789699 /nfs/dbraw/zinc/78/96/99/797789699.db2.gz WJUJYAXPTYDAHL-UHFFFAOYSA-N -1 1 345.424 2.227 20 0 EEADMM Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)nn1 ZINC001061074088 797933172 /nfs/dbraw/zinc/93/31/72/797933172.db2.gz BUTIXPRYAKTYDF-CHWSQXEVSA-N -1 1 327.388 2.039 20 0 EEADMM CSc1cc(C)c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)o1 ZINC001168694469 798013117 /nfs/dbraw/zinc/01/31/17/798013117.db2.gz MUDXNIFYCHTVDS-LBPRGKRZSA-N -1 1 329.385 2.342 20 0 EEADMM COCOc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1F ZINC001176189883 798369082 /nfs/dbraw/zinc/36/90/82/798369082.db2.gz NISUIMUJBPTGNR-UHFFFAOYSA-N -1 1 326.349 2.191 20 0 EEADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)n1)C2)c1ncccc1[O-] ZINC001065542209 799189992 /nfs/dbraw/zinc/18/99/92/799189992.db2.gz JGFKZZUZCRASJZ-XQQFMLRXSA-N -1 1 342.374 2.109 20 0 EEADMM Cc1cc(C)nc(N[C@H](C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065701790 799393346 /nfs/dbraw/zinc/39/33/46/799393346.db2.gz VMEWFUZHSWPDDO-ZIAGYGMSSA-N -1 1 341.415 2.157 20 0 EEADMM Cc1cc(C)nc(NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001065839652 799619078 /nfs/dbraw/zinc/61/90/78/799619078.db2.gz XOKURFOMCGCIBS-SMDDNHRTSA-N -1 1 341.415 2.014 20 0 EEADMM CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)nn2C)C1 ZINC000691603262 799683812 /nfs/dbraw/zinc/68/38/12/799683812.db2.gz CKEBIMMPYBUTCJ-ZDUSSCGKSA-N -1 1 330.226 2.115 20 0 EEADMM CC(C)[C@]1(C(=O)[O-])CCN(Cc2cc(Br)nn2C)C1 ZINC000691603262 799683815 /nfs/dbraw/zinc/68/38/15/799683815.db2.gz CKEBIMMPYBUTCJ-ZDUSSCGKSA-N -1 1 330.226 2.115 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2sccc2Cl)o1 ZINC000786547187 806808525 /nfs/dbraw/zinc/80/85/25/806808525.db2.gz HNMHSNLQQOOCNS-UHFFFAOYSA-N -1 1 335.790 2.260 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2c(F)cccc2F)C1 ZINC001033025318 800913477 /nfs/dbraw/zinc/91/34/77/800913477.db2.gz JXHOKCIXEUBGSU-LBPRGKRZSA-N -1 1 347.365 2.412 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)[C@H](C)Cc2ccc3c(c2)OCO3)[n-]1 ZINC001182404073 801154841 /nfs/dbraw/zinc/15/48/41/801154841.db2.gz QJVZELGXIGJKQM-SNVBAGLBSA-N -1 1 345.355 2.132 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)Cc2ccc3c(c2)OCO3)n1 ZINC001182404073 801154846 /nfs/dbraw/zinc/15/48/46/801154846.db2.gz QJVZELGXIGJKQM-SNVBAGLBSA-N -1 1 345.355 2.132 20 0 EEADMM Nc1nc2ccc(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)cc2s1 ZINC001183299133 801552933 /nfs/dbraw/zinc/55/29/33/801552933.db2.gz RMRBVQBGQIQJDK-UHFFFAOYSA-N -1 1 342.306 2.197 20 0 EEADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066412307 802265783 /nfs/dbraw/zinc/26/57/83/802265783.db2.gz MZKJHLFYYMGVGS-UJMHRVFCSA-N -1 1 343.427 2.421 20 0 EEADMM COC(=O)c1sc([N-]C(=O)c2cccc[n+]2[O-])nc1C1CCCC1 ZINC000186829946 802854352 /nfs/dbraw/zinc/85/43/52/802854352.db2.gz NNSKMHACSNGPNB-UHFFFAOYSA-N -1 1 347.396 2.473 20 0 EEADMM C[C@@H](CNc1nc(C(C)(C)C)ns1)NC(=O)c1ncccc1[O-] ZINC001108323046 803312848 /nfs/dbraw/zinc/31/28/48/803312848.db2.gz HRQAUFHXJKLNRK-VIFPVBQESA-N -1 1 335.433 2.167 20 0 EEADMM CCOC(=O)c1nc(=N[C@@H](C)c2cnccn2)c2sccc2[n-]1 ZINC001169512993 803804733 /nfs/dbraw/zinc/80/47/33/803804733.db2.gz FCMRFDODRJTDRJ-VIFPVBQESA-N -1 1 329.385 2.253 20 0 EEADMM CC(C)CNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954382 807312100 /nfs/dbraw/zinc/31/21/00/807312100.db2.gz FTXJQTDPPIQWBO-NSHDSACASA-N -1 1 349.362 2.035 20 0 EEADMM CC(=O)c1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1C ZINC000789132210 807840225 /nfs/dbraw/zinc/84/02/25/807840225.db2.gz HXJGOWBKTSDSCX-UHFFFAOYSA-N -1 1 339.347 2.311 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2nc(Cl)ccc2[O-])c1Br ZINC000790047072 808376683 /nfs/dbraw/zinc/37/66/83/808376683.db2.gz COIFSYRJOMRHQL-UHFFFAOYSA-N -1 1 331.557 2.487 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000790122107 808448036 /nfs/dbraw/zinc/44/80/36/808448036.db2.gz JKAKSEZARODBHT-GFCCVEGCSA-N -1 1 345.403 2.451 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCSc3ccccc3)ccnc1-2 ZINC000791087576 809048528 /nfs/dbraw/zinc/04/85/28/809048528.db2.gz DUFFAFHYRSZNQV-UHFFFAOYSA-N -1 1 327.413 2.256 20 0 EEADMM Cc1cc2nc(Cl)nc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c2s1 ZINC001170213607 809816325 /nfs/dbraw/zinc/81/63/25/809816325.db2.gz LZRYITXZKDNIOY-UHFFFAOYSA-N -1 1 349.763 2.426 20 0 EEADMM CCc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc(-c2ccccn2)n1 ZINC001170227453 809845804 /nfs/dbraw/zinc/84/58/04/809845804.db2.gz NPOCDANSKNUEAL-UHFFFAOYSA-N -1 1 334.343 2.217 20 0 EEADMM CCOC(=O)C1(c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2)CC1 ZINC001170228484 809846424 /nfs/dbraw/zinc/84/64/24/809846424.db2.gz GHOKIHVGKZQORC-UHFFFAOYSA-N -1 1 339.355 2.397 20 0 EEADMM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1ccc2cncn2c1 ZINC000793113743 810149159 /nfs/dbraw/zinc/14/91/59/810149159.db2.gz VYHBYWNYFUWJOT-HJWRWDBZSA-N -1 1 327.365 2.065 20 0 EEADMM Cc1cnn([C@@H]2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)C2)c1 ZINC000794186096 810703382 /nfs/dbraw/zinc/70/33/82/810703382.db2.gz SUISVCZJDREZEQ-CYBMUJFWSA-N -1 1 329.404 2.206 20 0 EEADMM CCOc1cc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)OC)cc(Cl)c1[O-] ZINC000794211478 810736510 /nfs/dbraw/zinc/73/65/10/810736510.db2.gz CKTMGNFSNGPFKP-ONGXEEELSA-N -1 1 345.754 2.170 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCc3ccc(F)c(F)c3F)ccnc1-2 ZINC000806491402 811878929 /nfs/dbraw/zinc/87/89/29/811878929.db2.gz YRJOFICPMADYRP-UHFFFAOYSA-N -1 1 349.316 2.123 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCc4c(F)ccc(F)c4C3)ccnc1-2 ZINC000806490906 811880384 /nfs/dbraw/zinc/88/03/84/811880384.db2.gz QGGCJJFQUNBQRX-UHFFFAOYSA-N -1 1 343.337 2.210 20 0 EEADMM CCOc1ccc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806493341 811882467 /nfs/dbraw/zinc/88/24/67/811882467.db2.gz 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COc1ccccc1[C@@H]1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000738126571 578000392 /nfs/dbraw/zinc/00/03/92/578000392.db2.gz HHPSSVMFKZNZRD-ZBFHGGJFSA-N -1 1 348.443 2.100 20 0 EEADMM O=C(CNC(=O)c1c([O-])cccc1Cl)N1CCc2ccccc2C1 ZINC000726627369 576282218 /nfs/dbraw/zinc/28/22/18/576282218.db2.gz HHTWWHFSCLQDMU-UHFFFAOYSA-N -1 1 344.798 2.360 20 0 EEADMM O=Cc1ccc(OC(F)(F)C(=O)[N-]CCOCC(F)(F)F)cc1 ZINC000731602596 577110722 /nfs/dbraw/zinc/11/07/22/577110722.db2.gz LKMHICPQYVSXPE-UHFFFAOYSA-N -1 1 341.232 2.166 20 0 EEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000732220552 577159613 /nfs/dbraw/zinc/15/96/13/577159613.db2.gz YYMHPJYDIVCQES-UHFFFAOYSA-N -1 1 346.368 2.413 20 0 EEADMM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1cncc([O-])c1 ZINC000732281371 577165499 /nfs/dbraw/zinc/16/54/99/577165499.db2.gz BCLPHLQWNPIVDM-UHFFFAOYSA-N -1 1 343.364 2.235 20 0 EEADMM O=C1OCCN1c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cn1 ZINC000734555930 577307165 /nfs/dbraw/zinc/30/71/65/577307165.db2.gz AIBBVADTJUXLBZ-UHFFFAOYSA-N -1 1 326.287 2.493 20 0 EEADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccc2c(c1)CCC(=O)N2 ZINC000773571175 577352166 /nfs/dbraw/zinc/35/21/66/577352166.db2.gz QJKVMDYIITUYJI-UHFFFAOYSA-N -1 1 343.310 2.456 20 0 EEADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)c1 ZINC000773570861 577352190 /nfs/dbraw/zinc/35/21/90/577352190.db2.gz DXRQGAVKPSPBLS-NSHDSACASA-N -1 1 347.342 2.402 20 0 EEADMM COc1cccc(CCC(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774908502 577422789 /nfs/dbraw/zinc/42/27/89/577422789.db2.gz JHBLHVGROPWGMH-UHFFFAOYSA-N -1 1 333.306 2.240 20 0 EEADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774986802 577425452 /nfs/dbraw/zinc/42/54/52/577425452.db2.gz VUYYVYYCXNENQT-QMMMGPOBSA-N -1 1 335.326 2.132 20 0 EEADMM COc1ccccc1[C@H](C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562731 577462440 /nfs/dbraw/zinc/46/24/40/577462440.db2.gz FEBVRCDZNXKXHK-YPMHNXCESA-N -1 1 347.444 2.019 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2ccc(Br)c([O-])c2)on1 ZINC000777066723 577472219 /nfs/dbraw/zinc/47/22/19/577472219.db2.gz ZWQGIFGQNALFKF-UHFFFAOYSA-N -1 1 340.129 2.491 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)C[C@@H]1CCCC[C@H]1C ZINC000777359580 577477152 /nfs/dbraw/zinc/47/71/52/577477152.db2.gz BGKKQCZROAAXJM-YPMHNXCESA-N -1 1 332.404 2.028 20 0 EEADMM Cn1[n-]c(COC(=O)/C=C\c2cccc(OC3CCCC3)c2)nc1=O ZINC000765461799 577501350 /nfs/dbraw/zinc/50/13/50/577501350.db2.gz AKFHDPCAHFQLEQ-KTKRTIGZSA-N -1 1 343.383 2.186 20 0 EEADMM Cc1cc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)ccc1N1CCCC1 ZINC000766029743 577511444 /nfs/dbraw/zinc/51/14/44/577511444.db2.gz LLPGCPLLFHMANC-HNNXBMFYSA-N -1 1 345.443 2.330 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000769598968 577581090 /nfs/dbraw/zinc/58/10/90/577581090.db2.gz ZSVVWVCNDCKEMZ-ZDUSSCGKSA-N -1 1 349.431 2.072 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ncccn2)c([O-])c1 ZINC000770056215 577589774 /nfs/dbraw/zinc/58/97/74/577589774.db2.gz MEOLWZRKFKZJJI-UHFFFAOYSA-N -1 1 344.371 2.459 20 0 EEADMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759067090 577636559 /nfs/dbraw/zinc/63/65/59/577636559.db2.gz OOTJKMAVKZLUJL-IUCAKERBSA-N -1 1 338.223 2.136 20 0 EEADMM CC(=O)CCCCCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000763976404 577728948 /nfs/dbraw/zinc/72/89/48/577728948.db2.gz GFPOFKMNGBSRED-MRXNPFEDSA-N -1 1 329.404 2.335 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(C)cc1C ZINC000750972561 577746108 /nfs/dbraw/zinc/74/61/08/577746108.db2.gz LLCXAHLHGUHJKQ-UHFFFAOYSA-N -1 1 338.385 2.279 20 0 EEADMM Cc1ncc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)s1 ZINC000754742140 577811897 /nfs/dbraw/zinc/81/18/97/577811897.db2.gz ZFWHUUGZGNTMPL-UHFFFAOYSA-N -1 1 338.336 2.171 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000747208440 577940797 /nfs/dbraw/zinc/94/07/97/577940797.db2.gz WESCXBZPGVSTNL-ZDUSSCGKSA-N -1 1 345.403 2.242 20 0 EEADMM Cc1ccc(C)n1C1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000738579111 578020003 /nfs/dbraw/zinc/02/00/03/578020003.db2.gz MJTHCKUNTUUPHV-QGZVFWFLSA-N -1 1 349.475 2.357 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000739539081 578057339 /nfs/dbraw/zinc/05/73/39/578057339.db2.gz OYMCGUKWYALCKW-RRFJBIMHSA-N -1 1 336.819 2.314 20 0 EEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000739919668 578073382 /nfs/dbraw/zinc/07/33/82/578073382.db2.gz FWGYWDVGBCMYGS-VURMDHGXSA-N -1 1 341.776 2.034 20 0 EEADMM CNC(=O)c1cccc(CCNC(=O)c2c([O-])cccc2Cl)c1 ZINC000740928547 578109289 /nfs/dbraw/zinc/10/92/89/578109289.db2.gz OKZAOYGQWGRYQQ-UHFFFAOYSA-N -1 1 332.787 2.378 20 0 EEADMM CC(C)Oc1ccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000735914040 578173591 /nfs/dbraw/zinc/17/35/91/578173591.db2.gz GZSGSZQXXPMVQT-UHFFFAOYSA-N -1 1 330.392 2.398 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](c2ccccc2F)C1 ZINC000736203655 578187086 /nfs/dbraw/zinc/18/70/86/578187086.db2.gz FCGDEPMFPZDMIY-DZGCQCFKSA-N -1 1 348.418 2.327 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736303466 578194372 /nfs/dbraw/zinc/19/43/72/578194372.db2.gz JLYXZWKRAJERFF-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736303466 578194373 /nfs/dbraw/zinc/19/43/73/578194373.db2.gz JLYXZWKRAJERFF-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM CC(C)(NCC(=O)NCCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000736340059 578197209 /nfs/dbraw/zinc/19/72/09/578197209.db2.gz YHOBBIWKAGPUID-UHFFFAOYSA-N -1 1 333.215 2.105 20 0 EEADMM CC(C)c1nc(CN(C)[C@H]2CCN(Cc3ccc(C(=O)[O-])o3)C2)no1 ZINC000736526128 578209221 /nfs/dbraw/zinc/20/92/21/578209221.db2.gz QMUFNPXLFACULL-LBPRGKRZSA-N -1 1 348.403 2.191 20 0 EEADMM CCOc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736653685 578216653 /nfs/dbraw/zinc/21/66/53/578216653.db2.gz KOIRMMZUHBGLLM-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736653685 578216654 /nfs/dbraw/zinc/21/66/54/578216654.db2.gz KOIRMMZUHBGLLM-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM COc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000737076845 578236692 /nfs/dbraw/zinc/23/66/92/578236692.db2.gz RNGUHFLXOWBPJU-JTQLQIEISA-N -1 1 326.360 2.452 20 0 EEADMM COc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000737076845 578236693 /nfs/dbraw/zinc/23/66/93/578236693.db2.gz RNGUHFLXOWBPJU-JTQLQIEISA-N -1 1 326.360 2.452 20 0 EEADMM COc1ccccc1CC(C)(C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737152574 578241167 /nfs/dbraw/zinc/24/11/67/578241167.db2.gz KHYDKRQZNBVFIV-UHFFFAOYSA-N -1 1 343.431 2.183 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000737530874 578262281 /nfs/dbraw/zinc/26/22/81/578262281.db2.gz YJJUTAVHAPDGMB-GJZGRUSLSA-N -1 1 345.443 2.268 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000737886303 578271955 /nfs/dbraw/zinc/27/19/55/578271955.db2.gz NMLGMACPMUHSRE-SNVBAGLBSA-N -1 1 328.796 2.248 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738016129 578276578 /nfs/dbraw/zinc/27/65/78/578276578.db2.gz NYHVJYBMOJKBSK-NXEZZACHSA-N -1 1 328.796 2.328 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1-c1nn[nH]n1 ZINC000822130622 607255344 /nfs/dbraw/zinc/25/53/44/607255344.db2.gz XRLZZNCPSLAUNV-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822492119 599047066 /nfs/dbraw/zinc/04/70/66/599047066.db2.gz RKRQQIXZBJGRFA-MRVPVSSYSA-N -1 1 346.826 2.309 20 0 EEADMM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822492119 599047069 /nfs/dbraw/zinc/04/70/69/599047069.db2.gz RKRQQIXZBJGRFA-MRVPVSSYSA-N -1 1 346.826 2.309 20 0 EEADMM CC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820981717 599342341 /nfs/dbraw/zinc/34/23/41/599342341.db2.gz WCTPWNZSGWGPED-JTQLQIEISA-N -1 1 341.824 2.083 20 0 EEADMM CS(=O)(=O)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821932439 607314315 /nfs/dbraw/zinc/31/43/15/607314315.db2.gz MSFUSULHARZHSZ-UHFFFAOYSA-N -1 1 349.441 2.085 20 0 EEADMM CN(CCCCC(=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000820592273 597807410 /nfs/dbraw/zinc/80/74/10/597807410.db2.gz XBOQFWJZPVYVOW-ZDUSSCGKSA-N -1 1 343.221 2.162 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnn(C(C)C)c2)c1C(=O)[O-] ZINC000314961159 600099023 /nfs/dbraw/zinc/09/90/23/600099023.db2.gz DRGNNJZUUBTTCU-UHFFFAOYSA-N -1 1 327.362 2.173 20 0 EEADMM COC(=O)COc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831185555 600750700 /nfs/dbraw/zinc/75/07/00/600750700.db2.gz YFZNHKSEXWRTFZ-QGZVFWFLSA-N -1 1 347.342 2.293 20 0 EEADMM Cc1ccc2c([n-]cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2=O)[nH+]1 ZINC000832961724 600776038 /nfs/dbraw/zinc/77/60/38/600776038.db2.gz LHLZAOOKDICOCB-LLVKDONJSA-N -1 1 331.372 2.121 20 0 EEADMM CCc1cc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)n[nH]1 ZINC000362682396 600792998 /nfs/dbraw/zinc/79/29/98/600792998.db2.gz YXVTZHWKUSHFBP-UHFFFAOYSA-N -1 1 337.326 2.367 20 0 EEADMM COc1cc(NC(=O)CN2[C@H](C)CC[C@H]2C)c(C(=O)[O-])cc1OC ZINC000832016480 600884507 /nfs/dbraw/zinc/88/45/07/600884507.db2.gz DKOKWHMIENAAPG-GHMZBOCLSA-N -1 1 336.388 2.213 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2C[C@H](C)CC[C@@H]2C)cc(C(=O)[O-])c1 ZINC000831270280 601051022 /nfs/dbraw/zinc/05/10/22/601051022.db2.gz VTTJUFAOSYTFBQ-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000827368581 601129036 /nfs/dbraw/zinc/12/90/36/601129036.db2.gz GWZLBBZOROHDJY-SNVBAGLBSA-N -1 1 343.786 2.492 20 0 EEADMM CCOc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830104717 601130323 /nfs/dbraw/zinc/13/03/23/601130323.db2.gz OEVRMPOOTPIIRQ-ZDUSSCGKSA-N -1 1 335.404 2.098 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000826800934 601147214 /nfs/dbraw/zinc/14/72/14/601147214.db2.gz RRMWEHUJWIMOLA-OAHLLOKOSA-N -1 1 339.411 2.056 20 0 EEADMM C[C@H]1CN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C[C@@H]1C(=O)[O-] ZINC000828465413 601513281 /nfs/dbraw/zinc/51/32/81/601513281.db2.gz XTRIYHYHVLOJQH-ONGXEEELSA-N -1 1 346.456 2.305 20 0 EEADMM CCc1cc2c(C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224782 601523038 /nfs/dbraw/zinc/52/30/38/601523038.db2.gz VTLPFVDHYYICHS-HZMBPMFUSA-N -1 1 331.368 2.214 20 0 EEADMM CCc1cc2c(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224782 601523040 /nfs/dbraw/zinc/52/30/40/601523040.db2.gz VTLPFVDHYYICHS-HZMBPMFUSA-N -1 1 331.368 2.214 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828420274 601529150 /nfs/dbraw/zinc/52/91/50/601529150.db2.gz BZIKTPIVNGEYCQ-OUAUKWLOSA-N -1 1 333.413 2.276 20 0 EEADMM Cc1cc(C(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000832857895 601534664 /nfs/dbraw/zinc/53/46/64/601534664.db2.gz DAHDIVJWBAUGHW-HZMBPMFUSA-N -1 1 347.440 2.386 20 0 EEADMM CCOc1ccc(-c2noc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)cc1 ZINC000830054028 601535403 /nfs/dbraw/zinc/53/54/03/601535403.db2.gz JGWHRAQBNAXBNH-BXUZGUMPSA-N -1 1 331.372 2.288 20 0 EEADMM C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000828455659 601537005 /nfs/dbraw/zinc/53/70/05/601537005.db2.gz DSDPDQNRBVFTBK-WPRPVWTQSA-N -1 1 342.189 2.330 20 0 EEADMM O=C([O-])C[C@@H]1CN(CCC(=O)Nc2cccc3ccccc32)CCO1 ZINC000833219873 601572713 /nfs/dbraw/zinc/57/27/13/601572713.db2.gz KPTWXKBOTZGKPC-OAHLLOKOSA-N -1 1 342.395 2.344 20 0 EEADMM CSc1ccncc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832790869 601577326 /nfs/dbraw/zinc/57/73/26/601577326.db2.gz YXIDONGZZQBLLR-UHFFFAOYSA-N -1 1 338.410 2.231 20 0 EEADMM C[C@@H]1CCCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000828257625 601634283 /nfs/dbraw/zinc/63/42/83/601634283.db2.gz GXDINBBLVSSKBG-DYVFJYSZSA-N -1 1 343.427 2.154 20 0 EEADMM CN(Cc1nnc[nH]1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830882769 602015687 /nfs/dbraw/zinc/01/56/87/602015687.db2.gz DPCPYBBYTHDIQC-UHFFFAOYSA-N -1 1 343.265 2.186 20 0 EEADMM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)c2ccccc21 ZINC000833215402 602019719 /nfs/dbraw/zinc/01/97/19/602019719.db2.gz ISVGKCYKJBXMHV-WCQYABFASA-N -1 1 325.368 2.435 20 0 EEADMM O=C([O-])[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1 ZINC000833124436 602047578 /nfs/dbraw/zinc/04/75/78/602047578.db2.gz APXFXBOYNNCQKM-BXUZGUMPSA-N -1 1 333.775 2.425 20 0 EEADMM N=C(NOCc1ccc(F)cc1C(=O)[O-])[C@H]1COc2ccccc2O1 ZINC000833077911 602160767 /nfs/dbraw/zinc/16/07/67/602160767.db2.gz GLKZXRMGBSJUMH-OAHLLOKOSA-N -1 1 346.314 2.362 20 0 EEADMM CC(C)NC(=O)c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824304884 607548504 /nfs/dbraw/zinc/54/85/04/607548504.db2.gz HYQHGMAHIAXGIT-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM CC(C)NC(=O)c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824304884 607548505 /nfs/dbraw/zinc/54/85/05/607548505.db2.gz HYQHGMAHIAXGIT-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C(=O)[O-])C(C)C)n2)cc1 ZINC000818864154 602181598 /nfs/dbraw/zinc/18/15/98/602181598.db2.gz LUJSSVLYNOHWFV-CYBMUJFWSA-N -1 1 348.428 2.098 20 0 EEADMM COc1ccc(-c2cnc(CNC3(CC(=O)[O-])CCOCC3)o2)cc1 ZINC000832124608 602257906 /nfs/dbraw/zinc/25/79/06/602257906.db2.gz WUKQFRLBIBASHQ-UHFFFAOYSA-N -1 1 346.383 2.464 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826292627 607571679 /nfs/dbraw/zinc/57/16/79/607571679.db2.gz DLVNOJGCIWZPGF-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826292627 607571681 /nfs/dbraw/zinc/57/16/81/607571681.db2.gz DLVNOJGCIWZPGF-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM O=C([O-])N1CCC[C@H](NC(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000831583744 603800624 /nfs/dbraw/zinc/80/06/24/603800624.db2.gz GCRYGTBHEGEYSW-DLBZAZTESA-N -1 1 345.443 2.300 20 0 EEADMM COc1cccc(-c2cc(C(=O)N(CCC(=O)[O-])C(C)C)n[nH]2)c1 ZINC000832510358 604273701 /nfs/dbraw/zinc/27/37/01/604273701.db2.gz ILFUGPBPHBTJMI-UHFFFAOYSA-N -1 1 331.372 2.411 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000832959562 604330483 /nfs/dbraw/zinc/33/04/83/604330483.db2.gz WNANEZWXPQSHGQ-UHFFFAOYSA-N -1 1 326.356 2.444 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC000832906238 604452664 /nfs/dbraw/zinc/45/26/64/604452664.db2.gz VFRPFOIEDUJWRH-MRXNPFEDSA-N -1 1 345.399 2.335 20 0 EEADMM O=C([O-])C[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000833209185 604673578 /nfs/dbraw/zinc/67/35/78/604673578.db2.gz BNCSVMUTRKQHFU-CABCVRRESA-N -1 1 349.431 2.455 20 0 EEADMM CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1F ZINC000833663236 604688145 /nfs/dbraw/zinc/68/81/45/604688145.db2.gz SRJRWYXLLPJYPD-UHFFFAOYSA-N -1 1 340.332 2.118 20 0 EEADMM CN(C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000830563081 605003113 /nfs/dbraw/zinc/00/31/13/605003113.db2.gz DIXCFTPCRDZSMC-OAHLLOKOSA-N -1 1 328.372 2.091 20 0 EEADMM O=C([O-])c1occc1CNCc1cccc(CN2CCCC2=O)c1 ZINC000833785299 605059121 /nfs/dbraw/zinc/05/91/21/605059121.db2.gz ORGQKLOBDFHTDP-UHFFFAOYSA-N -1 1 328.368 2.390 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)[nH]c21 ZINC000833717349 605059165 /nfs/dbraw/zinc/05/91/65/605059165.db2.gz ZENQVGZPRPQROL-ZJUUUORDSA-N -1 1 345.355 2.179 20 0 EEADMM CCc1nn(C)cc1CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833677777 605239009 /nfs/dbraw/zinc/23/90/09/605239009.db2.gz CNOIJBWUZYEDRB-CQSZACIVSA-N -1 1 342.443 2.391 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCC2(C(=O)[O-])CCCCC2)C[C@H]1C ZINC000833658588 605435919 /nfs/dbraw/zinc/43/59/19/605435919.db2.gz UEFOUOVUMVZXQC-KGLIPLIRSA-N -1 1 325.453 2.146 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC1(C2CC2)CC1 ZINC000822009896 606169970 /nfs/dbraw/zinc/16/99/70/606169970.db2.gz GWSZJQZSQLIELN-UHFFFAOYSA-N -1 1 343.387 2.003 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000819987764 606193535 /nfs/dbraw/zinc/19/35/35/606193535.db2.gz KVKHZMWBSJZYKV-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000819987764 606193537 /nfs/dbraw/zinc/19/35/37/606193537.db2.gz KVKHZMWBSJZYKV-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CCOc1ccccc1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821431060 606237098 /nfs/dbraw/zinc/23/70/98/606237098.db2.gz KNTGXLQXBULXCT-UHFFFAOYSA-N -1 1 344.400 2.307 20 0 EEADMM CCOc1ccccc1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821431060 606237099 /nfs/dbraw/zinc/23/70/99/606237099.db2.gz KNTGXLQXBULXCT-UHFFFAOYSA-N -1 1 344.400 2.307 20 0 EEADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1cnc2ccccc21 ZINC000819866091 606293893 /nfs/dbraw/zinc/29/38/93/606293893.db2.gz IVOJYLMBYTUUPU-JTQLQIEISA-N -1 1 349.354 2.122 20 0 EEADMM CN1CCOc2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc21 ZINC000821630320 606471663 /nfs/dbraw/zinc/47/16/63/606471663.db2.gz UGVWEKNXYVNFFS-UHFFFAOYSA-N -1 1 343.778 2.487 20 0 EEADMM CN1CCOc2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc21 ZINC000821630320 606471665 /nfs/dbraw/zinc/47/16/65/606471665.db2.gz UGVWEKNXYVNFFS-UHFFFAOYSA-N -1 1 343.778 2.487 20 0 EEADMM O=C(Cc1ccc(Cl)cc1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823083080 606531719 /nfs/dbraw/zinc/53/17/19/606531719.db2.gz VHKBCRKXXGLDBS-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(Cc1ccc(Cl)cc1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823083080 606531720 /nfs/dbraw/zinc/53/17/20/606531720.db2.gz VHKBCRKXXGLDBS-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1-c1nnn[n-]1 ZINC000822591596 606727841 /nfs/dbraw/zinc/72/78/41/606727841.db2.gz WKQKTVIUFQKJKM-XLPZGREQSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c1-c1nn[n-]n1 ZINC000822591596 606727843 /nfs/dbraw/zinc/72/78/43/606727843.db2.gz WKQKTVIUFQKJKM-XLPZGREQSA-N -1 1 326.813 2.346 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821016547 607194663 /nfs/dbraw/zinc/19/46/63/607194663.db2.gz XJXYFPOBCBOKLN-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821016547 607194664 /nfs/dbraw/zinc/19/46/64/607194664.db2.gz XJXYFPOBCBOKLN-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824936905 607864136 /nfs/dbraw/zinc/86/41/36/607864136.db2.gz NDOSGRUXMITDLJ-AAEUAGOBSA-N -1 1 347.394 2.422 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824936905 607864137 /nfs/dbraw/zinc/86/41/37/607864137.db2.gz NDOSGRUXMITDLJ-AAEUAGOBSA-N -1 1 347.394 2.422 20 0 EEADMM Cc1nnc(Sc2cccc(-c3nnn[n-]3)n2)n1-c1ccccc1 ZINC000826337457 607895634 /nfs/dbraw/zinc/89/56/34/607895634.db2.gz PGIOXIHRYXOCSS-UHFFFAOYSA-N -1 1 336.384 2.302 20 0 EEADMM Cc1nnc(Sc2cccc(-c3nn[n-]n3)n2)n1-c1ccccc1 ZINC000826337457 607895635 /nfs/dbraw/zinc/89/56/35/607895635.db2.gz PGIOXIHRYXOCSS-UHFFFAOYSA-N -1 1 336.384 2.302 20 0 EEADMM COCCN(CCCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC000826158180 607897507 /nfs/dbraw/zinc/89/75/07/607897507.db2.gz DTEARWRXVYUSHM-UHFFFAOYSA-N -1 1 338.415 2.347 20 0 EEADMM COCCN(CCCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC000826158180 607897508 /nfs/dbraw/zinc/89/75/08/607897508.db2.gz DTEARWRXVYUSHM-UHFFFAOYSA-N -1 1 338.415 2.347 20 0 EEADMM CC[C@](C)(CCCNc1cccc(-c2nnn[n-]2)n1)C1OCCO1 ZINC000825043097 607900798 /nfs/dbraw/zinc/90/07/98/607900798.db2.gz DTXUMNZTCNHRRG-MRXNPFEDSA-N -1 1 332.408 2.243 20 0 EEADMM CC[C@](C)(CCCNc1cccc(-c2nn[n-]n2)n1)C1OCCO1 ZINC000825043097 607900799 /nfs/dbraw/zinc/90/07/99/607900799.db2.gz DTXUMNZTCNHRRG-MRXNPFEDSA-N -1 1 332.408 2.243 20 0 EEADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)c1c(F)cccc1F ZINC000825149364 607900928 /nfs/dbraw/zinc/90/09/28/607900928.db2.gz XKYVPICXGWGGHT-ABAIWWIYSA-N -1 1 346.341 2.464 20 0 EEADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1F ZINC000825149364 607900929 /nfs/dbraw/zinc/90/09/29/607900929.db2.gz XKYVPICXGWGGHT-ABAIWWIYSA-N -1 1 346.341 2.464 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824663040 607904353 /nfs/dbraw/zinc/90/43/53/607904353.db2.gz VEHNPUYXVKMPCC-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824663040 607904354 /nfs/dbraw/zinc/90/43/54/607904354.db2.gz VEHNPUYXVKMPCC-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(C)noc1C ZINC000825132579 607956819 /nfs/dbraw/zinc/95/68/19/607956819.db2.gz BDKYBBWPGKHWHR-VIFPVBQESA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(C)noc1C ZINC000825132579 607956820 /nfs/dbraw/zinc/95/68/20/607956820.db2.gz BDKYBBWPGKHWHR-VIFPVBQESA-N -1 1 332.389 2.414 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1OC(F)F ZINC000826450769 607998248 /nfs/dbraw/zinc/99/82/48/607998248.db2.gz CVQWUFNFVOHPPH-UHFFFAOYSA-N -1 1 347.281 2.426 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824907286 608012631 /nfs/dbraw/zinc/01/26/31/608012631.db2.gz HVBYJLAMVNGDCO-AGIUHOORSA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824907286 608012632 /nfs/dbraw/zinc/01/26/32/608012632.db2.gz HVBYJLAMVNGDCO-AGIUHOORSA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824214446 608242199 /nfs/dbraw/zinc/24/21/99/608242199.db2.gz GVFYLZWEWSVDFW-FZMZJTMJSA-N -1 1 339.403 2.425 20 0 EEADMM CC(C)[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824214446 608242202 /nfs/dbraw/zinc/24/22/02/608242202.db2.gz GVFYLZWEWSVDFW-FZMZJTMJSA-N -1 1 339.403 2.425 20 0 EEADMM COc1cc(CN(C)c2ccc(-c3nnn[n-]3)nn2)ccc1SC ZINC000826179483 608408419 /nfs/dbraw/zinc/40/84/19/608408419.db2.gz PTNSKADPUDGBET-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM COc1cc(CN(C)c2ccc(-c3nn[n-]n3)nn2)ccc1SC ZINC000826179483 608408421 /nfs/dbraw/zinc/40/84/21/608408421.db2.gz PTNSKADPUDGBET-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM CCCCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000825291606 608427566 /nfs/dbraw/zinc/42/75/66/608427566.db2.gz UYVMOIGNVSMQOF-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000825291606 608427567 /nfs/dbraw/zinc/42/75/67/608427567.db2.gz UYVMOIGNVSMQOF-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826505996 608847974 /nfs/dbraw/zinc/84/79/74/608847974.db2.gz KNCKIPBWOKLJKY-QMTHXVAHSA-N -1 1 347.325 2.046 20 0 EEADMM O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826505996 608847978 /nfs/dbraw/zinc/84/79/78/608847978.db2.gz KNCKIPBWOKLJKY-QMTHXVAHSA-N -1 1 347.325 2.046 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC=CC1 ZINC000826458308 609291685 /nfs/dbraw/zinc/29/16/85/609291685.db2.gz LBDZSLDILVUEDU-UHFFFAOYSA-N -1 1 339.334 2.096 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1F ZINC000826300301 609571196 /nfs/dbraw/zinc/57/11/96/609571196.db2.gz OWIRRWIXABBCAR-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1nn(C)c2ncc(NCc3ccc(-c4nn[n-]n4)s3)cc12 ZINC000826334070 609596733 /nfs/dbraw/zinc/59/67/33/609596733.db2.gz GRDUNFHMRSWUAB-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000084297731 675501520 /nfs/dbraw/zinc/50/15/20/675501520.db2.gz IZMAIBFJVKLEKI-UHFFFAOYSA-N -1 1 330.417 2.391 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000891327066 676387880 /nfs/dbraw/zinc/38/78/80/676387880.db2.gz FNQOGXLPORUEAS-GXTWGEPZSA-N -1 1 346.456 2.297 20 0 EEADMM COCc1nc(NCC(=O)Nc2c(C)cc(C)cc2C)cc(=O)[n-]1 ZINC000891495513 676675199 /nfs/dbraw/zinc/67/51/99/676675199.db2.gz PMTUXVOIPJSHNB-UHFFFAOYSA-N -1 1 330.388 2.304 20 0 EEADMM CN(C)c1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000891615849 676723175 /nfs/dbraw/zinc/72/31/75/676723175.db2.gz VLTKPECSCIHOLU-UHFFFAOYSA-N -1 1 347.806 2.428 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059459485 685427722 /nfs/dbraw/zinc/42/77/22/685427722.db2.gz XMDZCLZRAWSVRZ-GFCCVEGCSA-N -1 1 335.379 2.019 20 0 EEADMM Cc1nc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccccc3O)C2)c(C)o1 ZINC001028415105 681341531 /nfs/dbraw/zinc/34/15/31/681341531.db2.gz HNHKBOKKPMXUQF-AWEZNQCLSA-N -1 1 329.400 2.249 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982603813 681780964 /nfs/dbraw/zinc/78/09/64/681780964.db2.gz NYBWCTNWUICHOA-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)N(C)C)c1 ZINC000327578275 681932116 /nfs/dbraw/zinc/93/21/16/681932116.db2.gz FVPLNNWCZJTIQM-ZOBUZTSGSA-N -1 1 348.443 2.305 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025175370 682158947 /nfs/dbraw/zinc/15/89/47/682158947.db2.gz ITTPVRAJYLSVTR-LBPRGKRZSA-N -1 1 349.479 2.053 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983575284 682881445 /nfs/dbraw/zinc/88/14/45/682881445.db2.gz OGCRRIAQVYMRPG-KGLIPLIRSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H]1CCN(C(=O)C=C2CCC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983711898 683150925 /nfs/dbraw/zinc/15/09/25/683150925.db2.gz YMNWULBMMKIPRG-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(N[C@H]1C[C@H](Nc2ncnc3ccsc32)C1)c1ncccc1[O-] ZINC001059196870 683179619 /nfs/dbraw/zinc/17/96/19/683179619.db2.gz LSINEKWYELOOCA-MGCOHNPYSA-N -1 1 341.396 2.165 20 0 EEADMM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000894968359 683437464 /nfs/dbraw/zinc/43/74/64/683437464.db2.gz VXOIREBEKJRVGV-WCQYABFASA-N -1 1 341.791 2.276 20 0 EEADMM COCc1nc(NCCOc2cccc(C(F)(F)F)n2)cc(=O)[n-]1 ZINC000893002975 683526651 /nfs/dbraw/zinc/52/66/51/683526651.db2.gz CUHZKZLGXXREMZ-UHFFFAOYSA-N -1 1 344.293 2.233 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)[C@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000153120005 683771121 /nfs/dbraw/zinc/77/11/21/683771121.db2.gz LSQASLCBAAKHMT-VIFPVBQESA-N -1 1 338.820 2.313 20 0 EEADMM CN(C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1cccc(F)n1 ZINC001058683715 683857552 /nfs/dbraw/zinc/85/75/52/683857552.db2.gz FVVMYTAPDODQEO-CYBMUJFWSA-N -1 1 344.390 2.310 20 0 EEADMM CC(C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000984175843 684200403 /nfs/dbraw/zinc/20/04/03/684200403.db2.gz UUTADNQJSWDYJL-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1cccc(N2C[C@H](C(=O)[N-]OCc3ccccn3)CC2=O)c1C ZINC000909524699 684658362 /nfs/dbraw/zinc/65/83/62/684658362.db2.gz DCOCSMJLOLHCOZ-OAHLLOKOSA-N -1 1 339.395 2.299 20 0 EEADMM Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2O)nc(C)[nH+]1 ZINC001058730012 684936383 /nfs/dbraw/zinc/93/63/83/684936383.db2.gz AKBHXZLHHLYLSG-GASCZTMLSA-N -1 1 338.411 2.292 20 0 EEADMM Cc1cncc(CN2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)c1 ZINC000974491396 684981503 /nfs/dbraw/zinc/98/15/03/684981503.db2.gz PWGZVVKSIYQIEH-MRXNPFEDSA-N -1 1 340.427 2.131 20 0 EEADMM Cn1[n-]c(COC(=O)CSCc2ccc(C(C)(C)C)cc2)nc1=O ZINC000909534917 685140793 /nfs/dbraw/zinc/14/07/93/685140793.db2.gz UPIMAARLRIEEKV-UHFFFAOYSA-N -1 1 349.456 2.383 20 0 EEADMM Cc1nc(-c2ccc(N3CCC[C@H]3C3OCCO3)nc2)[n-]c(=O)c1C ZINC000897005554 686039464 /nfs/dbraw/zinc/03/94/64/686039464.db2.gz BBDRDRGUUUEFQV-AWEZNQCLSA-N -1 1 342.399 2.203 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CC=CCC1 ZINC001059515156 686278808 /nfs/dbraw/zinc/27/88/08/686278808.db2.gz SKKPTWIHIQADMS-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(CC1CCCC1)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975226698 686319875 /nfs/dbraw/zinc/31/98/75/686319875.db2.gz RDQMHRCLSYIEIV-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CC=CC1 ZINC000987000831 689205125 /nfs/dbraw/zinc/20/51/25/689205125.db2.gz DDARIJBRABSEHM-OAHLLOKOSA-N -1 1 343.427 2.254 20 0 EEADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1OC ZINC000904049088 694283171 /nfs/dbraw/zinc/28/31/71/694283171.db2.gz WDLJHJWYEHRIKU-KRWDZBQOSA-N -1 1 347.415 2.441 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C1CCOCC1 ZINC000866964664 689727240 /nfs/dbraw/zinc/72/72/40/689727240.db2.gz NFLJPJDNEDNJJQ-MRVPVSSYSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C1CCOCC1 ZINC000866964665 689727261 /nfs/dbraw/zinc/72/72/61/689727261.db2.gz NFLJPJDNEDNJJQ-QMMMGPOBSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)CC2=CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000987457700 689734551 /nfs/dbraw/zinc/73/45/51/689734551.db2.gz CMRWNFBNPREGDT-HIFRSBDPSA-N -1 1 343.427 2.397 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000987671407 689938163 /nfs/dbraw/zinc/93/81/63/689938163.db2.gz JRKVTIFPCZFMJW-YPMHNXCESA-N -1 1 345.424 2.190 20 0 EEADMM CN(C[C@H]1CCN(C(=O)CCC2CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987888697 690130906 /nfs/dbraw/zinc/13/09/06/690130906.db2.gz RZQKXTNTXWCUFW-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000987985854 690218574 /nfs/dbraw/zinc/21/85/74/690218574.db2.gz ORWYMHNXNAXCBN-AWEZNQCLSA-N -1 1 343.427 2.208 20 0 EEADMM CCC(NCc1ccccc1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054502001 690899953 /nfs/dbraw/zinc/89/99/53/690899953.db2.gz MTHZOPKTXGUSRO-PFONDFGASA-N -1 1 345.468 2.340 20 0 EEADMM COCC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCOCC1 ZINC000897820255 691793029 /nfs/dbraw/zinc/79/30/29/691793029.db2.gz MNKSUDISUVZXKJ-UHFFFAOYSA-N -1 1 345.395 2.424 20 0 EEADMM CC1(C(=O)N2CC[C@@H](CCNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001059993198 692121939 /nfs/dbraw/zinc/12/19/39/692121939.db2.gz JVBWCANMCCPGEF-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C1CC2(CCC2)C1)C(=O)c1ncccc1[O-] ZINC000977615914 692829888 /nfs/dbraw/zinc/82/98/88/692829888.db2.gz GZJOLZGHUQYYFK-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)nc2F)n1 ZINC000866969638 693054924 /nfs/dbraw/zinc/05/49/24/693054924.db2.gz NEBGPKBTQRGSEZ-UHFFFAOYSA-N -1 1 333.385 2.418 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000978105375 693321221 /nfs/dbraw/zinc/32/12/21/693321221.db2.gz PRBCAPSVHUOXKI-BFHYXJOUSA-N -1 1 345.443 2.142 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1(Cc2ccccc2Cl)CC1 ZINC000898758190 693442702 /nfs/dbraw/zinc/44/27/02/693442702.db2.gz XDVUSHCLAXVJBZ-UHFFFAOYSA-N -1 1 333.775 2.180 20 0 EEADMM O=C(CC1CCCC1)N1CCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000943212405 1192105455 /nfs/dbraw/zinc/10/54/55/1192105455.db2.gz GPCMEDGQOZSKMY-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)c2cccs2)C1)c1ncccc1[O-] ZINC000943212708 1192105808 /nfs/dbraw/zinc/10/58/08/1192105808.db2.gz HWSXDXLAZWKVJL-LBPRGKRZSA-N -1 1 345.424 2.273 20 0 EEADMM CCOCCO[N-]C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000184782672 1192239695 /nfs/dbraw/zinc/23/96/95/1192239695.db2.gz BLAQCISRMIENGE-HNNXBMFYSA-N -1 1 342.395 2.277 20 0 EEADMM CCC(C)(CC)C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001408573240 1178370703 /nfs/dbraw/zinc/37/07/03/1178370703.db2.gz ARWPLRJGRAXKOJ-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC2(CCN(C(=O)C3CCC3)C2)CC1 ZINC000944378279 1193048128 /nfs/dbraw/zinc/04/81/28/1193048128.db2.gz UUHYBFNYYLKHCO-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC(=O)NC[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC001481359541 1181112349 /nfs/dbraw/zinc/11/23/49/1181112349.db2.gz JSYGPERLVPEBRM-CQSZACIVSA-N -1 1 342.424 2.364 20 0 EEADMM C[C@@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)CC(C)(C)C ZINC001481953772 1183031495 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Cc1cccc2c(N[C@@H](C)CNC(=O)c3ncccc3[O-])ncnc12 ZINC001097765272 1244584074 /nfs/dbraw/zinc/58/40/74/1244584074.db2.gz QGFATGOFWMBOEQ-LBPRGKRZSA-N -1 1 337.383 2.269 20 0 EEADMM CCC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000780343214 1246274915 /nfs/dbraw/zinc/27/49/15/1246274915.db2.gz GVLZHSPQKNRPFX-UONOGXRCSA-N -1 1 337.420 2.359 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001052420686 1247240649 /nfs/dbraw/zinc/24/06/49/1247240649.db2.gz GWUWWKAPAGSZJM-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM CCc1nsc(NC[C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001068321362 1250794243 /nfs/dbraw/zinc/79/42/43/1250794243.db2.gz IHYRITPYUABNFU-GHMZBOCLSA-N -1 1 347.444 2.164 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cncc(Cl)n1 ZINC001069363152 1252793250 /nfs/dbraw/zinc/79/32/50/1252793250.db2.gz YETNKXRBAYUBIJ-QWRGUYRKSA-N -1 1 347.806 2.018 20 0 EEADMM Cc1nc(Cl)cc(NC2CC(N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001069731670 1253200652 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Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2cn(C)nc21 ZINC001185906448 1278841398 /nfs/dbraw/zinc/84/13/98/1278841398.db2.gz WZXKQDHYEWHDQB-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnc3occc3c2)ccc1F ZINC001186150359 1278974022 /nfs/dbraw/zinc/97/40/22/1278974022.db2.gz CWJKMNJYXNAIFZ-UHFFFAOYSA-N -1 1 336.300 2.466 20 0 EEADMM Cn1cnc2cccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c21 ZINC001186190701 1278984003 /nfs/dbraw/zinc/98/40/03/1278984003.db2.gz PWWNGBYGNMWJFA-UHFFFAOYSA-N -1 1 349.343 2.211 20 0 EEADMM CC(=O)N1CCC(n2nccc2NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC001186209643 1279006464 /nfs/dbraw/zinc/00/64/64/1279006464.db2.gz ZFMRYLNSGLYSGH-UHFFFAOYSA-N -1 1 346.362 2.164 20 0 EEADMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)O1 ZINC000867379567 1287234376 /nfs/dbraw/zinc/23/43/76/1287234376.db2.gz RECZQLSMQMJGOE-APPZFPTMSA-N -1 1 325.217 2.234 20 0 EEADMM C[C@@H](CN(C)C(=O)C(=Cc1ccccc1)C(F)(F)F)c1nn[n-]n1 ZINC000867380057 1287242842 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/nfs/dbraw/zinc/87/09/86/1318870986.db2.gz KHCKXOVWBGPQRQ-UHFFFAOYSA-N -1 1 325.773 2.207 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2c(Br)cnn2C)c1 ZINC001256864986 1318879935 /nfs/dbraw/zinc/87/99/35/1318879935.db2.gz YUCCNSJVTBTCPI-UHFFFAOYSA-N -1 1 330.207 2.292 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2nc(C)cnc2Cl)cc1OC ZINC001257021470 1318919400 /nfs/dbraw/zinc/91/94/00/1318919400.db2.gz CRILCGDVPLVGTI-UHFFFAOYSA-N -1 1 343.792 2.256 20 0 EEADMM CO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257516044 1319015518 /nfs/dbraw/zinc/01/55/18/1319015518.db2.gz VEGQVYGUEBFBIQ-HTQZYQBOSA-N -1 1 346.257 2.137 20 0 EEADMM C[C@@H]1CN(CCc2nnc(-c3cc(F)c([O-])cc3F)o2)C[C@@H](C)O1 ZINC001258153224 1319193089 /nfs/dbraw/zinc/19/30/89/1319193089.db2.gz NODIQAMCCIZGIS-NXEZZACHSA-N -1 1 339.342 2.372 20 0 EEADMM CC(C)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cnccn1 ZINC001259042377 1319421274 /nfs/dbraw/zinc/42/12/74/1319421274.db2.gz LCXMRJATFFVBGP-UHFFFAOYSA-N -1 1 345.346 2.150 20 0 EEADMM 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IBPLDAYNIVBGNK-CQSZACIVSA-N -1 1 332.444 2.432 20 0 EEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccco1 ZINC001607142839 1351437476 /nfs/dbraw/zinc/43/74/76/1351437476.db2.gz WWRHHQZEKSWPSD-OCCSQVGLSA-N -1 1 349.383 2.419 20 0 EEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)[C@H](C)c1ccco1 ZINC001607142839 1351437477 /nfs/dbraw/zinc/43/74/77/1351437477.db2.gz WWRHHQZEKSWPSD-OCCSQVGLSA-N -1 1 349.383 2.419 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)C[C@H]1c1ccccc1 ZINC001608567581 1351717437 /nfs/dbraw/zinc/71/74/37/1351717437.db2.gz ZNULTKBFEOSVHC-YVEFUNNKSA-N -1 1 326.356 2.269 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)C[C@H]1c1ccccc1 ZINC001608567581 1351717440 /nfs/dbraw/zinc/71/74/40/1351717440.db2.gz ZNULTKBFEOSVHC-YVEFUNNKSA-N -1 1 326.356 2.269 20 0 EEADMM O=C1CCc2c1cccc2OS(=O)(=O)c1c[n-]nc1C(F)(F)F ZINC001309032585 1331614379 /nfs/dbraw/zinc/61/43/79/1331614379.db2.gz WNSZGSUVAAUEMR-UHFFFAOYSA-N -1 1 346.286 2.325 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(C=O)c(F)c2F)[n-]1 ZINC001309843079 1331644981 /nfs/dbraw/zinc/64/49/81/1331644981.db2.gz HAGNLBWLELWARP-UHFFFAOYSA-N -1 1 330.312 2.392 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(C=O)c(F)c2F)c[n-]1 ZINC001309843079 1331644989 /nfs/dbraw/zinc/64/49/89/1331644989.db2.gz HAGNLBWLELWARP-UHFFFAOYSA-N -1 1 330.312 2.392 20 0 EEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCN1CC[C@H](F)C1 ZINC001608705905 1351745359 /nfs/dbraw/zinc/74/53/59/1351745359.db2.gz YSTIZZSTKGWEHT-HOTGVXAUSA-N -1 1 336.407 2.013 20 0 EEADMM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1c[nH]cc2ncnc1-2 ZINC001608713800 1351746999 /nfs/dbraw/zinc/74/69/99/1351746999.db2.gz JGYVFPXCNMGEHH-UHFFFAOYSA-N -1 1 338.367 2.465 20 0 EEADMM O=C([O-])CNC(=O)[C@H]1CCCN1CCSc1cccc(Cl)c1 ZINC001608751443 1351755855 /nfs/dbraw/zinc/75/58/55/1351755855.db2.gz PLRHBOMIHLCSSO-CYBMUJFWSA-N -1 1 342.848 2.097 20 0 EEADMM O=C([O-])c1ccc(CN[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)[nH]1 ZINC001608885628 1351786638 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CC(C)(Oc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609085475 1351836200 /nfs/dbraw/zinc/83/62/00/1351836200.db2.gz BFDULPRUIHHRHK-UHFFFAOYSA-N -1 1 345.384 2.224 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609085475 1351836202 /nfs/dbraw/zinc/83/62/02/1351836202.db2.gz BFDULPRUIHHRHK-UHFFFAOYSA-N -1 1 345.384 2.224 20 0 EEADMM CC(C)Oc1ccc([C@H](O)CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001609102764 1351843536 /nfs/dbraw/zinc/84/35/36/1351843536.db2.gz PTLSJNCDPFDDGG-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1ccc([C@H](O)CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001609102764 1351843538 /nfs/dbraw/zinc/84/35/38/1351843538.db2.gz PTLSJNCDPFDDGG-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)CCc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)nc1 ZINC001609094541 1351840585 /nfs/dbraw/zinc/84/05/85/1351840585.db2.gz GDVJCCACCUJPHJ-UHFFFAOYSA-N -1 1 337.387 2.498 20 0 EEADMM CC(C)CCc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)nc1 ZINC001609094541 1351840589 /nfs/dbraw/zinc/84/05/89/1351840589.db2.gz GDVJCCACCUJPHJ-UHFFFAOYSA-N -1 1 337.387 2.498 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC2(CCCC2)O1 ZINC001609172345 1351875752 /nfs/dbraw/zinc/87/57/52/1351875752.db2.gz UDDVGQBJCDUKKG-LLVKDONJSA-N -1 1 345.378 2.180 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC2(CCCC2)O1 ZINC001609172345 1351875760 /nfs/dbraw/zinc/87/57/60/1351875760.db2.gz UDDVGQBJCDUKKG-LLVKDONJSA-N -1 1 345.378 2.180 20 0 EEADMM CC[C@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609199885 1351887905 /nfs/dbraw/zinc/88/79/05/1351887905.db2.gz IHMKYVIUDMZLDS-RYUDHWBXSA-N -1 1 332.408 2.038 20 0 EEADMM CC[C@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609199885 1351887906 /nfs/dbraw/zinc/88/79/06/1351887906.db2.gz IHMKYVIUDMZLDS-RYUDHWBXSA-N -1 1 332.408 2.038 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609218427 1351898731 /nfs/dbraw/zinc/89/87/31/1351898731.db2.gz FZMCOBLVTNSLQJ-UHFFFAOYSA-N -1 1 348.370 2.274 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609218427 1351898738 /nfs/dbraw/zinc/89/87/38/1351898738.db2.gz FZMCOBLVTNSLQJ-UHFFFAOYSA-N -1 1 348.370 2.274 20 0 EEADMM CO[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313640 1351929294 /nfs/dbraw/zinc/92/92/94/1351929294.db2.gz OWHQONVUVUTPML-BQBZGAKWSA-N -1 1 326.813 2.346 20 0 EEADMM CO[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313640 1351929297 /nfs/dbraw/zinc/92/92/97/1351929297.db2.gz OWHQONVUVUTPML-BQBZGAKWSA-N -1 1 326.813 2.346 20 0 EEADMM COc1cc(Nc2cnc(-c3nnn[n-]3)cn2)ccc1OC(C)C ZINC001609346623 1351940667 /nfs/dbraw/zinc/94/06/67/1351940667.db2.gz HKNWJLDTPYKLND-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1cc(Nc2cnc(-c3nn[n-]n3)cn2)ccc1OC(C)C ZINC001609346623 1351940673 /nfs/dbraw/zinc/94/06/73/1351940673.db2.gz HKNWJLDTPYKLND-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1cc(Nc2snc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC001609346930 1351940859 /nfs/dbraw/zinc/94/08/59/1351940859.db2.gz WNXISWYCNCJJNT-UHFFFAOYSA-N -1 1 348.388 2.401 20 0 EEADMM Cc1cc(NC(=O)C2(C(=O)[O-])CC=CC2)ccc1N1CCN(C)CC1 ZINC001329964682 1334750086 /nfs/dbraw/zinc/75/00/86/1334750086.db2.gz VQIDPLRRNGBWMY-UHFFFAOYSA-N -1 1 343.427 2.106 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccccc2Br)n1 ZINC001609392548 1351957499 /nfs/dbraw/zinc/95/74/99/1351957499.db2.gz USPYWJYWFOUBKD-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccccc2Br)n1 ZINC001609392548 1351957503 /nfs/dbraw/zinc/95/75/03/1351957503.db2.gz USPYWJYWFOUBKD-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(Br)ccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001609393441 1351957754 /nfs/dbraw/zinc/95/77/54/1351957754.db2.gz YSYSZTUSRWVQNA-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(Br)ccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001609393441 1351957755 /nfs/dbraw/zinc/95/77/55/1351957755.db2.gz YSYSZTUSRWVQNA-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001609398235 1351960003 /nfs/dbraw/zinc/96/00/03/1351960003.db2.gz JXSLLGUYZZXJJE-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nn[n-]n1 ZINC001609429586 1351973577 /nfs/dbraw/zinc/97/35/77/1351973577.db2.gz QMWDRJUVLRBYFV-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CCc1nccs1)C(C)C ZINC001609466483 1351988581 /nfs/dbraw/zinc/98/85/81/1351988581.db2.gz BMBAMZQKCLLVMG-UHFFFAOYSA-N -1 1 346.416 2.318 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CCc1nccs1)C(C)C ZINC001609466483 1351988583 /nfs/dbraw/zinc/98/85/83/1351988583.db2.gz BMBAMZQKCLLVMG-UHFFFAOYSA-N -1 1 346.416 2.318 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC001609468568 1351989570 /nfs/dbraw/zinc/98/95/70/1351989570.db2.gz ZVPDKPRXWPUBFN-UHFFFAOYSA-N -1 1 341.327 2.182 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC001609468568 1351989571 /nfs/dbraw/zinc/98/95/71/1351989571.db2.gz ZVPDKPRXWPUBFN-UHFFFAOYSA-N -1 1 341.327 2.182 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)nn1)CCC2 ZINC001609489582 1351996467 /nfs/dbraw/zinc/99/64/67/1351996467.db2.gz PUFDLULBNHHMTG-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1ccc(-c3nn[n-]n3)nn1)CCC2 ZINC001609489582 1351996471 /nfs/dbraw/zinc/99/64/71/1351996471.db2.gz PUFDLULBNHHMTG-LBPRGKRZSA-N -1 1 329.314 2.424 20 0 EEADMM O=C(CCc1cccc(F)c1F)OCc1cccnc1-c1nnn[n-]1 ZINC001609524991 1352005298 /nfs/dbraw/zinc/00/52/98/1352005298.db2.gz DTICXSIWLXAEAC-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(CCc1cccc(F)c1F)OCc1cccnc1-c1nn[n-]n1 ZINC001609524991 1352005300 /nfs/dbraw/zinc/00/53/00/1352005300.db2.gz DTICXSIWLXAEAC-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609543380 1352010605 /nfs/dbraw/zinc/01/06/05/1352010605.db2.gz OONMQXYLTZNGMI-LLVKDONJSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609543380 1352010608 /nfs/dbraw/zinc/01/06/08/1352010608.db2.gz OONMQXYLTZNGMI-LLVKDONJSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccoc1C(F)(F)F ZINC001609561219 1352016290 /nfs/dbraw/zinc/01/62/90/1352016290.db2.gz OQLQSJXQFHCHCN-UHFFFAOYSA-N -1 1 339.233 2.436 20 0 EEADMM O=C(OCc1ccc(Cl)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609576655 1352023698 /nfs/dbraw/zinc/02/36/98/1352023698.db2.gz HRMFUCXYSSBSHW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(Cl)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609576655 1352023702 /nfs/dbraw/zinc/02/37/02/1352023702.db2.gz HRMFUCXYSSBSHW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)[C@H]3CCC[C@H]23)cc1 ZINC001609617087 1352040753 /nfs/dbraw/zinc/04/07/53/1352040753.db2.gz UQIYVYIWILVEKG-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)[C@H]3CCC[C@H]23)cc1 ZINC001609617087 1352040758 /nfs/dbraw/zinc/04/07/58/1352040758.db2.gz UQIYVYIWILVEKG-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc(-c2cncnc2)cn1 ZINC001609621199 1352043069 /nfs/dbraw/zinc/04/30/69/1352043069.db2.gz UUTDRJDDQUADFK-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM O=C(NCCc1nc(Cc2ccccc2)no1)c1c([O-])cccc1F ZINC001336270458 1336510796 /nfs/dbraw/zinc/51/07/96/1336510796.db2.gz ZBRSTRSMWVAOTJ-UHFFFAOYSA-N -1 1 341.342 2.478 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H]1CCn2ccnc21 ZINC001609727337 1352070120 /nfs/dbraw/zinc/07/01/20/1352070120.db2.gz KYYNJWXGEXXGAL-BXUZGUMPSA-N -1 1 328.372 2.033 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC001609811298 1352091416 /nfs/dbraw/zinc/09/14/16/1352091416.db2.gz NZCNKUXVCPOKQC-KBXCAEBGSA-N -1 1 334.391 2.286 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001340088123 1337120488 /nfs/dbraw/zinc/12/04/88/1337120488.db2.gz VYVOROQHTIDJSI-BETUJISGSA-N -1 1 338.415 2.258 20 0 EEADMM CCN1C[C@@H](CN(C)Cc2cccc(C(=O)[O-])n2)Oc2ccccc21 ZINC001610004107 1352139023 /nfs/dbraw/zinc/13/90/23/1352139023.db2.gz CDRIJFUTXMYMTC-OAHLLOKOSA-N -1 1 341.411 2.499 20 0 EEADMM O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347972924 1337528524 /nfs/dbraw/zinc/52/85/24/1337528524.db2.gz BCLVJVNDWUNWBP-LBPRGKRZSA-N -1 1 334.383 2.255 20 0 EEADMM CC[C@](O)(CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000847093269 1337865836 /nfs/dbraw/zinc/86/58/36/1337865836.db2.gz WDYVMMGMCVWWTR-ACJLOTCBSA-N -1 1 345.399 2.169 20 0 EEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001610124434 1352167994 /nfs/dbraw/zinc/16/79/94/1352167994.db2.gz TZJUVNNUSMQIAG-KRWDZBQOSA-N -1 1 344.386 2.471 20 0 EEADMM CN1CCN(C(=O)c2cc3c(cccc3F)s2)C[C@@H](C(=O)[O-])C1 ZINC001610137002 1352170662 /nfs/dbraw/zinc/17/06/62/1352170662.db2.gz PXPGWAFRZSXNFT-JTQLQIEISA-N -1 1 336.388 2.129 20 0 EEADMM COc1cccc(/C(C)=C/C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001610355061 1352209992 /nfs/dbraw/zinc/20/99/92/1352209992.db2.gz CSTCESZHTIWACB-GOFCXVBSSA-N -1 1 346.427 2.106 20 0 EEADMM C[C@H]1CN([C@H](C(=O)[O-])c2ccccc2)CCN1C(=O)c1cscn1 ZINC001610396081 1352215928 /nfs/dbraw/zinc/21/59/28/1352215928.db2.gz WEDUQFMLJVSZRW-WFASDCNBSA-N -1 1 345.424 2.115 20 0 EEADMM Cc1[nH]c(C(=O)N2CCNC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001610400413 1352216679 /nfs/dbraw/zinc/21/66/79/1352216679.db2.gz XJAPEVIRXRNCQM-AWEZNQCLSA-N -1 1 327.384 2.116 20 0 EEADMM COCCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCCF ZINC001358404993 1339043224 /nfs/dbraw/zinc/04/32/24/1339043224.db2.gz YKGFAZPAVMOPOB-UHFFFAOYSA-N -1 1 343.790 2.141 20 0 EEADMM Cc1[nH]ncc1CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001610549581 1352243096 /nfs/dbraw/zinc/24/30/96/1352243096.db2.gz QGSQFCLITWVXIX-UHFFFAOYSA-N -1 1 340.286 2.339 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cccc(C(F)F)c1 ZINC001429224077 1339841097 /nfs/dbraw/zinc/84/10/97/1339841097.db2.gz HVKKCWFKXHAMQU-UHFFFAOYSA-N -1 1 349.337 2.227 20 0 EEADMM Cc1coc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC001611200950 1352296356 /nfs/dbraw/zinc/29/63/56/1352296356.db2.gz SAWUDZVTRUKPPX-LBPRGKRZSA-N -1 1 335.726 2.413 20 0 EEADMM CCCC(CCC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001430089917 1340120345 /nfs/dbraw/zinc/12/03/45/1340120345.db2.gz GVDXPXPNSCBWHK-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@](CNC(=O)c1ccsc1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001430791480 1340334219 /nfs/dbraw/zinc/33/42/19/1340334219.db2.gz GQFDWZNKSZQWKS-QGZVFWFLSA-N -1 1 345.424 2.177 20 0 EEADMM CC1(C)Cc2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)c2O1 ZINC001575751922 1343869560 /nfs/dbraw/zinc/86/95/60/1343869560.db2.gz HJPDBKGRTRTVMF-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC1(C)Cc2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)c2O1 ZINC001575751922 1343869563 /nfs/dbraw/zinc/86/95/63/1343869563.db2.gz HJPDBKGRTRTVMF-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H](O)c1ccccc1F ZINC001576999090 1344081650 /nfs/dbraw/zinc/08/16/50/1344081650.db2.gz MUUVPKKIUDVGTM-SWLSCSKDSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H](O)c1ccccc1F ZINC001576999090 1344081652 /nfs/dbraw/zinc/08/16/52/1344081652.db2.gz MUUVPKKIUDVGTM-SWLSCSKDSA-N -1 1 343.366 2.028 20 0 EEADMM CCCC(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577190535 1344100757 /nfs/dbraw/zinc/10/07/57/1344100757.db2.gz JVQUCPZUCQRVRL-LLVKDONJSA-N -1 1 349.464 2.082 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001577301191 1344124995 /nfs/dbraw/zinc/12/49/95/1344124995.db2.gz QLIDORSFKNRSCH-SECBINFHSA-N -1 1 329.451 2.033 20 0 EEADMM CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc([O-])cn1 ZINC001577659838 1344176863 /nfs/dbraw/zinc/17/68/63/1344176863.db2.gz PPFUCGYICFAVLK-UHFFFAOYSA-N -1 1 338.371 2.020 20 0 EEADMM COCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001579820439 1344417861 /nfs/dbraw/zinc/41/78/61/1344417861.db2.gz KCJQIRPIUFDSPH-UHFFFAOYSA-N -1 1 331.357 2.163 20 0 EEADMM COCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001579820439 1344417863 /nfs/dbraw/zinc/41/78/63/1344417863.db2.gz KCJQIRPIUFDSPH-UHFFFAOYSA-N -1 1 331.357 2.163 20 0 EEADMM COc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC001579988522 1344443488 /nfs/dbraw/zinc/44/34/88/1344443488.db2.gz LGDVJSSHHYNCGT-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC001579988522 1344443493 /nfs/dbraw/zinc/44/34/93/1344443493.db2.gz LGDVJSSHHYNCGT-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccccc1Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001580083334 1344468347 /nfs/dbraw/zinc/46/83/47/1344468347.db2.gz GLUPWBULGDBZEK-UHFFFAOYSA-N -1 1 333.351 2.239 20 0 EEADMM COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001580083356 1344469308 /nfs/dbraw/zinc/46/93/08/1344469308.db2.gz JYPKHWVVJCTBEA-UHFFFAOYSA-N -1 1 348.366 2.287 20 0 EEADMM COc1ncc(NC(=O)c2cc(SC)oc2C)cc1-c1nn[n-]n1 ZINC001580138004 1344479864 /nfs/dbraw/zinc/47/98/64/1344479864.db2.gz FTAVXVWHPSWOOZ-UHFFFAOYSA-N -1 1 346.372 2.146 20 0 EEADMM C[S@](=O)(=NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001580153342 1344481672 /nfs/dbraw/zinc/48/16/72/1344481672.db2.gz WBGKMVMBYMICSG-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3ccncn3)C2)nc1-c1nnn[n-]1 ZINC001581746314 1344660564 /nfs/dbraw/zinc/66/05/64/1344660564.db2.gz RATNOKMXGNCWCD-SNVBAGLBSA-N -1 1 342.794 2.089 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3ccncn3)C2)nc1-c1nn[n-]n1 ZINC001581746314 1344660568 /nfs/dbraw/zinc/66/05/68/1344660568.db2.gz RATNOKMXGNCWCD-SNVBAGLBSA-N -1 1 342.794 2.089 20 0 EEADMM NC(=O)c1cccc(Sc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001581905368 1344686413 /nfs/dbraw/zinc/68/64/13/1344686413.db2.gz FNFHUEAYRPQOTR-UHFFFAOYSA-N -1 1 338.805 2.227 20 0 EEADMM O=C(CCc1cccc(Cl)c1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001582060532 1344697474 /nfs/dbraw/zinc/69/74/74/1344697474.db2.gz BYOGXUGVZZVFIJ-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(CCc1cccc(Cl)c1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001582060532 1344697479 /nfs/dbraw/zinc/69/74/79/1344697479.db2.gz BYOGXUGVZZVFIJ-UHFFFAOYSA-N -1 1 348.819 2.226 20 0 EEADMM O=C(Cc1c(Cl)cccc1Cl)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582137531 1344705527 /nfs/dbraw/zinc/70/55/27/1344705527.db2.gz ZYJICQMMONOPGJ-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(Cc1csc(C2CC2)n1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582176901 1344708930 /nfs/dbraw/zinc/70/89/30/1344708930.db2.gz QBKAXZIDRJVGOP-UHFFFAOYSA-N -1 1 346.441 2.121 20 0 EEADMM O=C(N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1ccc(F)c([O-])c1 ZINC001582327622 1344732493 /nfs/dbraw/zinc/73/24/93/1344732493.db2.gz HEKDWXUTGSGCGM-CQSZACIVSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(C(F)F)cc1 ZINC001582559687 1344763652 /nfs/dbraw/zinc/76/36/52/1344763652.db2.gz ZSNNFNCTXJJZOZ-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(C(F)F)cc1 ZINC001582559687 1344763658 /nfs/dbraw/zinc/76/36/58/1344763658.db2.gz ZSNNFNCTXJJZOZ-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1nc2ccccc2o1 ZINC001582806861 1344794216 /nfs/dbraw/zinc/79/42/16/1344794216.db2.gz WLZLWHKTYCYFTQ-UHFFFAOYSA-N -1 1 344.334 2.371 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001586100323 1348840162 /nfs/dbraw/zinc/84/01/62/1348840162.db2.gz SHNAHVLPFZQBET-OAHLLOKOSA-N -1 1 337.383 2.263 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589208002 1348970949 /nfs/dbraw/zinc/97/09/49/1348970949.db2.gz OVDHKGALULTOES-UHFFFAOYSA-N -1 1 328.332 2.284 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589208002 1348970952 /nfs/dbraw/zinc/97/09/52/1348970952.db2.gz OVDHKGALULTOES-UHFFFAOYSA-N -1 1 328.332 2.284 20 0 EEADMM CC(C)(CCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O)C1CC1 ZINC001589277814 1348978094 /nfs/dbraw/zinc/97/80/94/1348978094.db2.gz CVXVIPAHJGRAEU-UHFFFAOYSA-N -1 1 341.415 2.374 20 0 EEADMM CC(C)CC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589587869 1349006944 /nfs/dbraw/zinc/00/69/44/1349006944.db2.gz FGWXQNSMCRKZOW-MRXNPFEDSA-N -1 1 331.424 2.133 20 0 EEADMM CC(C)CC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589587869 1349006948 /nfs/dbraw/zinc/00/69/48/1349006948.db2.gz FGWXQNSMCRKZOW-MRXNPFEDSA-N -1 1 331.424 2.133 20 0 EEADMM CC(C)CSCCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589653243 1349015378 /nfs/dbraw/zinc/01/53/78/1349015378.db2.gz ARKMWNDVWGAWLT-UHFFFAOYSA-N -1 1 333.461 2.296 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589803809 1349047300 /nfs/dbraw/zinc/04/73/00/1349047300.db2.gz RUMOORIMFGRCOM-SKDRFNHKSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589803809 1349047302 /nfs/dbraw/zinc/04/73/02/1349047302.db2.gz RUMOORIMFGRCOM-SKDRFNHKSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(C(=O)[O-])c1ccccc1 ZINC001589871843 1349053417 /nfs/dbraw/zinc/05/34/17/1349053417.db2.gz DGPHXAZIDPZIHK-INIZCTEOSA-N -1 1 343.412 2.060 20 0 EEADMM C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(C(=O)[O-])c1ccccc1 ZINC001589871843 1349053422 /nfs/dbraw/zinc/05/34/22/1349053422.db2.gz DGPHXAZIDPZIHK-INIZCTEOSA-N -1 1 343.412 2.060 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1C(F)(F)F ZINC001589986976 1349094396 /nfs/dbraw/zinc/09/43/96/1349094396.db2.gz ZWXKZLGCOMPLQZ-MRVPVSSYSA-N -1 1 335.293 2.271 20 0 EEADMM CC1=C(Br)CN(Cc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590154929 1349177205 /nfs/dbraw/zinc/17/72/05/1349177205.db2.gz FLTMKCDGIUVHCA-UHFFFAOYSA-N -1 1 341.238 2.198 20 0 EEADMM CC1=C(Br)CN(Cc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590154929 1349177210 /nfs/dbraw/zinc/17/72/10/1349177210.db2.gz FLTMKCDGIUVHCA-UHFFFAOYSA-N -1 1 341.238 2.198 20 0 EEADMM C[C@@H]1CCC[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590239775 1349217982 /nfs/dbraw/zinc/21/79/82/1349217982.db2.gz BNTPMELKFPCSAF-MNOVXSKESA-N -1 1 325.376 2.179 20 0 EEADMM C[C@@H]1CCC[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590239775 1349217989 /nfs/dbraw/zinc/21/79/89/1349217989.db2.gz BNTPMELKFPCSAF-MNOVXSKESA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCC[C@@H](N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590245737 1349223646 /nfs/dbraw/zinc/22/36/46/1349223646.db2.gz ZETHTAQXUWGSNA-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCC[C@@H](N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590245737 1349223650 /nfs/dbraw/zinc/22/36/50/1349223650.db2.gz ZETHTAQXUWGSNA-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM C/C=C(\C)C(=O)N[C@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590356589 1349283074 /nfs/dbraw/zinc/28/30/74/1349283074.db2.gz UZESGUBFCKCFQZ-NAZIUFLLSA-N -1 1 349.464 2.295 20 0 EEADMM CC/C(C)=C/C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590388437 1349298498 /nfs/dbraw/zinc/29/84/98/1349298498.db2.gz JXAGRHBGCKSGPR-FCDMQRSQSA-N -1 1 347.448 2.047 20 0 EEADMM CC[C@H](C)c1ncc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001590417612 1349314272 /nfs/dbraw/zinc/31/42/72/1349314272.db2.gz KYPDGQHRYDZQAB-QMMMGPOBSA-N -1 1 329.389 2.484 20 0 EEADMM CC[C@H](CC1CCCC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590436164 1349324619 /nfs/dbraw/zinc/32/46/19/1349324619.db2.gz GWUWCEFEYDTOEU-CQSZACIVSA-N -1 1 328.420 2.484 20 0 EEADMM CC[C@H](CC1CCCC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590436164 1349324624 /nfs/dbraw/zinc/32/46/24/1349324624.db2.gz GWUWCEFEYDTOEU-CQSZACIVSA-N -1 1 328.420 2.484 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590438993 1349325551 /nfs/dbraw/zinc/32/55/51/1349325551.db2.gz KJIJHNNJFIMMED-CYBMUJFWSA-N -1 1 327.344 2.423 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590438993 1349325554 /nfs/dbraw/zinc/32/55/54/1349325554.db2.gz KJIJHNNJFIMMED-CYBMUJFWSA-N -1 1 327.344 2.423 20 0 EEADMM CC[C@H](CNc1ccnc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001590447126 1349329128 /nfs/dbraw/zinc/32/91/28/1349329128.db2.gz ZLVYKVKPSFHJAG-CYBMUJFWSA-N -1 1 328.351 2.092 20 0 EEADMM CC[C@H](CNc1ccnc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001590447126 1349329136 /nfs/dbraw/zinc/32/91/36/1349329136.db2.gz ZLVYKVKPSFHJAG-CYBMUJFWSA-N -1 1 328.351 2.092 20 0 EEADMM CC[C@@H](Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590450569 1349331741 /nfs/dbraw/zinc/33/17/41/1349331741.db2.gz WRQNUVVBEKHYOC-LBPRGKRZSA-N -1 1 329.795 2.165 20 0 EEADMM CC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@H](O)c1ccccc1 ZINC001590459440 1349336703 /nfs/dbraw/zinc/33/67/03/1349336703.db2.gz KDNQUERXOMJEBO-GXTWGEPZSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@@H](OCCn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001590478908 1349350736 /nfs/dbraw/zinc/35/07/36/1349350736.db2.gz GALIBAKMGPGVFI-OAHLLOKOSA-N -1 1 325.372 2.196 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590512181 1349362936 /nfs/dbraw/zinc/36/29/36/1349362936.db2.gz PQRBFIBAZHLWEJ-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590512181 1349362940 /nfs/dbraw/zinc/36/29/40/1349362940.db2.gz PQRBFIBAZHLWEJ-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM CCCOC(=O)C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)CC(C)C ZINC001590639680 1349381686 /nfs/dbraw/zinc/38/16/86/1349381686.db2.gz IWROTDCINPGGLV-LBPRGKRZSA-N -1 1 347.423 2.074 20 0 EEADMM CCCOC(=O)C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)CC(C)C ZINC001590639680 1349381691 /nfs/dbraw/zinc/38/16/91/1349381691.db2.gz IWROTDCINPGGLV-LBPRGKRZSA-N -1 1 347.423 2.074 20 0 EEADMM CCc1nc(NCC[C@@H]2CC2(Cl)Cl)cc(-c2nnn[n-]2)n1 ZINC001590920616 1349411911 /nfs/dbraw/zinc/41/19/11/1349411911.db2.gz ZRZILNOMBOKVOB-SSDOTTSWSA-N -1 1 328.207 2.215 20 0 EEADMM CCc1nc(NCC[C@@H]2CC2(Cl)Cl)cc(-c2nn[n-]n2)n1 ZINC001590920616 1349411915 /nfs/dbraw/zinc/41/19/15/1349411915.db2.gz ZRZILNOMBOKVOB-SSDOTTSWSA-N -1 1 328.207 2.215 20 0 EEADMM CCc1nc(NCCSc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590922094 1349412323 /nfs/dbraw/zinc/41/23/23/1349412323.db2.gz APGNTMNFXZKRBF-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CCc1nc(NCCSc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590922094 1349412327 /nfs/dbraw/zinc/41/23/27/1349412327.db2.gz APGNTMNFXZKRBF-UHFFFAOYSA-N -1 1 327.417 2.423 20 0 EEADMM CN(C(=O)c1ccc(F)c2ccncc12)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994328 1349429055 /nfs/dbraw/zinc/42/90/55/1349429055.db2.gz JIMKCODTCDTXIL-UHFFFAOYSA-N -1 1 349.329 2.226 20 0 EEADMM CN(CCC1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591065487 1349438302 /nfs/dbraw/zinc/43/83/02/1349438302.db2.gz NKDIBBJBOLULHE-UHFFFAOYSA-N -1 1 339.421 2.051 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591336976 1349464374 /nfs/dbraw/zinc/46/43/74/1349464374.db2.gz XRDKSWGSSJWEQS-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591336976 1349464377 /nfs/dbraw/zinc/46/43/77/1349464377.db2.gz XRDKSWGSSJWEQS-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM COCCC1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCCCC1 ZINC001591400979 1349481559 /nfs/dbraw/zinc/48/15/59/1349481559.db2.gz JUWSEOCPOYZQBV-UHFFFAOYSA-N -1 1 333.392 2.177 20 0 EEADMM COCCC1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCCCC1 ZINC001591400979 1349481562 /nfs/dbraw/zinc/48/15/62/1349481562.db2.gz JUWSEOCPOYZQBV-UHFFFAOYSA-N -1 1 333.392 2.177 20 0 EEADMM COc1ccc(Oc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)cn1 ZINC001591621360 1349516719 /nfs/dbraw/zinc/51/67/19/1349516719.db2.gz OABRINCDIKCWCQ-UHFFFAOYSA-N -1 1 338.249 2.476 20 0 EEADMM COc1ccc(Oc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)cn1 ZINC001591621360 1349516727 /nfs/dbraw/zinc/51/67/27/1349516727.db2.gz OABRINCDIKCWCQ-UHFFFAOYSA-N -1 1 338.249 2.476 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001592204883 1349609471 /nfs/dbraw/zinc/60/94/71/1349609471.db2.gz JSHKOAJGAWVUBL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001592204883 1349609479 /nfs/dbraw/zinc/60/94/79/1349609479.db2.gz JSHKOAJGAWVUBL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC001592496842 1349637144 /nfs/dbraw/zinc/63/71/44/1349637144.db2.gz MLRDKBGWQFMJGP-AWEZNQCLSA-N -1 1 338.371 2.386 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC001592496842 1349637145 /nfs/dbraw/zinc/63/71/45/1349637145.db2.gz MLRDKBGWQFMJGP-AWEZNQCLSA-N -1 1 338.371 2.386 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC=C(C(F)(F)F)CC1 ZINC001592496722 1349637256 /nfs/dbraw/zinc/63/72/56/1349637256.db2.gz JSGWONUGTBAQFL-UHFFFAOYSA-N -1 1 327.266 2.103 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC=C(C(F)(F)F)CC1 ZINC001592496722 1349637257 /nfs/dbraw/zinc/63/72/57/1349637257.db2.gz JSGWONUGTBAQFL-UHFFFAOYSA-N -1 1 327.266 2.103 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1C=CCC1 ZINC001592504949 1349643209 /nfs/dbraw/zinc/64/32/09/1349643209.db2.gz TVRFIBMTYZHSBN-LBPRGKRZSA-N -1 1 338.371 2.255 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1C=CCC1 ZINC001592504949 1349643212 /nfs/dbraw/zinc/64/32/12/1349643212.db2.gz TVRFIBMTYZHSBN-LBPRGKRZSA-N -1 1 338.371 2.255 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3cc(-c4nnn[n-]4)ncn3)c2c1 ZINC001592532686 1349650070 /nfs/dbraw/zinc/65/00/70/1349650070.db2.gz CHDRCPUIJJVHFZ-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3cc(-c4nn[n-]n4)ncn3)c2c1 ZINC001592532686 1349650071 /nfs/dbraw/zinc/65/00/71/1349650071.db2.gz CHDRCPUIJJVHFZ-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534148 1349650293 /nfs/dbraw/zinc/65/02/93/1349650293.db2.gz CXXGDRRVHDFQKH-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1nsc(NC2([C@H]3CCCO3)CCC2)c1-c1nnn[n-]1 ZINC001592537313 1349651336 /nfs/dbraw/zinc/65/13/36/1349651336.db2.gz CFSXMCITUGSZHM-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(NC2([C@H]3CCCO3)CCC2)c1-c1nn[n-]n1 ZINC001592537313 1349651338 /nfs/dbraw/zinc/65/13/38/1349651338.db2.gz CFSXMCITUGSZHM-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nc(NCc2cnc(Cl)cn2)sc1-c1nnn[n-]1 ZINC001592536851 1349651341 /nfs/dbraw/zinc/65/13/41/1349651341.db2.gz WIWSMLGXQVRXGL-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM Clc1nc(NCc2cnc(Cl)cn2)sc1-c1nn[n-]n1 ZINC001592536851 1349651342 /nfs/dbraw/zinc/65/13/42/1349651342.db2.gz WIWSMLGXQVRXGL-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618708 1349673924 /nfs/dbraw/zinc/67/39/24/1349673924.db2.gz WCFHOCHCSLDMAS-GXSJLCMTSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618708 1349673927 /nfs/dbraw/zinc/67/39/27/1349673927.db2.gz WCFHOCHCSLDMAS-GXSJLCMTSA-N -1 1 340.309 2.260 20 0 EEADMM Fc1ccc(C2(CNc3ncncc3-c3nn[n-]n3)CC2)c(F)c1 ZINC001592647037 1349692390 /nfs/dbraw/zinc/69/23/90/1349692390.db2.gz HBSBXHMDVCYALF-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001592954701 1349729806 /nfs/dbraw/zinc/72/98/06/1349729806.db2.gz GAIXPRDHLCQGKK-NSHDSACASA-N -1 1 337.261 2.493 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001592954701 1349729827 /nfs/dbraw/zinc/72/98/27/1349729827.db2.gz GAIXPRDHLCQGKK-NSHDSACASA-N -1 1 337.261 2.493 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCc2cc(F)ccc21 ZINC001593137524 1349740372 /nfs/dbraw/zinc/74/03/72/1349740372.db2.gz HQNLXKKPLHOEJV-UHFFFAOYSA-N -1 1 344.375 2.340 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1COc2ccccc21 ZINC001593263610 1349755180 /nfs/dbraw/zinc/75/51/80/1349755180.db2.gz VKPWKTLPVGZXIN-SSDOTTSWSA-N -1 1 348.775 2.091 20 0 EEADMM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283597 1349761963 /nfs/dbraw/zinc/76/19/63/1349761963.db2.gz AOBUMYQNPUOYMK-NRUUGDAUSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283597 1349761965 /nfs/dbraw/zinc/76/19/65/1349761965.db2.gz AOBUMYQNPUOYMK-NRUUGDAUSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OCCC1CC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593286257 1349763931 /nfs/dbraw/zinc/76/39/31/1349763931.db2.gz GAYXHAKRCUTTAN-UHFFFAOYSA-N -1 1 327.266 2.237 20 0 EEADMM O=C(OCCSCc1nccs1)c1coc(-c2nnn[n-]2)c1 ZINC001593291106 1349767141 /nfs/dbraw/zinc/76/71/41/1349767141.db2.gz WSOOEAAWGACNGI-UHFFFAOYSA-N -1 1 337.386 2.006 20 0 EEADMM O=C(OCCSCc1nccs1)c1coc(-c2nn[n-]n2)c1 ZINC001593291106 1349767143 /nfs/dbraw/zinc/76/71/43/1349767143.db2.gz WSOOEAAWGACNGI-UHFFFAOYSA-N -1 1 337.386 2.006 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CSc2ccccc21 ZINC001593302324 1349774482 /nfs/dbraw/zinc/77/44/82/1349774482.db2.gz XVNPKCAXHOPHCN-LBPRGKRZSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CSc2ccccc21 ZINC001593302324 1349774488 /nfs/dbraw/zinc/77/44/88/1349774488.db2.gz XVNPKCAXHOPHCN-LBPRGKRZSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(OCc1nc2ccccc2s1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593306601 1349775636 /nfs/dbraw/zinc/77/56/36/1349775636.db2.gz BLTAGQWDIBVPHY-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(OCc1nc2ccccc2s1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593306601 1349775641 /nfs/dbraw/zinc/77/56/41/1349775641.db2.gz BLTAGQWDIBVPHY-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(Cc1cccs1)C1CC1 ZINC001593358885 1349789596 /nfs/dbraw/zinc/78/95/96/1349789596.db2.gz RVFYAGVCGYWAHT-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(Cc1cccs1)C1CC1 ZINC001593358885 1349789598 /nfs/dbraw/zinc/78/95/98/1349789598.db2.gz RVFYAGVCGYWAHT-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(F)cc1F)CCCC2 ZINC001593490471 1349816895 /nfs/dbraw/zinc/81/68/95/1349816895.db2.gz IFGPJWFCKXARNJ-UHFFFAOYSA-N -1 1 343.337 2.234 20 0 EEADMM c1cc(-c2nc(COc3cnc(-c4nn[n-]n4)nc3)cs2)cs1 ZINC001593544378 1349840101 /nfs/dbraw/zinc/84/01/01/1349840101.db2.gz DCZBKNLAMVYRDQ-UHFFFAOYSA-N -1 1 343.397 2.421 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CCCSC1 ZINC001593580724 1349861834 /nfs/dbraw/zinc/86/18/34/1349861834.db2.gz WQRDIJGHVJXBSS-SNVBAGLBSA-N -1 1 327.417 2.365 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CCCSC1 ZINC001593580724 1349861837 /nfs/dbraw/zinc/86/18/37/1349861837.db2.gz WQRDIJGHVJXBSS-SNVBAGLBSA-N -1 1 327.417 2.365 20 0 EEADMM Cc1oncc1C(=O)Nc1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1 ZINC001596982530 1349915825 /nfs/dbraw/zinc/91/58/25/1349915825.db2.gz QSJUQVBSFZFZFP-UHFFFAOYSA-N -1 1 341.327 2.225 20 0 EEADMM Cc1cc(C)c(NC(=O)CNCc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC001600162386 1349983485 /nfs/dbraw/zinc/98/34/85/1349983485.db2.gz WGAFLAAXWJDPJK-UHFFFAOYSA-N -1 1 329.400 2.377 20 0 EEADMM Cc1cc(CNC[C@@H](O)COc2ccc(F)c(F)c2)oc1C(=O)[O-] ZINC001600206905 1349993006 /nfs/dbraw/zinc/99/30/06/1349993006.db2.gz ISTFZIWTEXFOIW-SNVBAGLBSA-N -1 1 341.310 2.094 20 0 EEADMM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001600309363 1350017018 /nfs/dbraw/zinc/01/70/18/1350017018.db2.gz ZOXQPKVCYIUZLQ-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCSC[C@H]3C(=O)[O-])n[nH]2)cc1C ZINC001600312905 1350017450 /nfs/dbraw/zinc/01/74/50/1350017450.db2.gz XZIXEXNMKDKVSD-HNNXBMFYSA-N -1 1 345.424 2.336 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3c[nH]nc3C(=O)[O-])[nH]n2)c(C)c1 ZINC001600312789 1350017614 /nfs/dbraw/zinc/01/76/14/1350017614.db2.gz HTEHHBKTWDSPBS-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC([C@H](C)CO)CC1 ZINC001600353471 1350027399 /nfs/dbraw/zinc/02/73/99/1350027399.db2.gz YGLACTNEYSTTDK-ZIAGYGMSSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc([C@H](N)C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001600380353 1350035176 /nfs/dbraw/zinc/03/51/76/1350035176.db2.gz HPZVJIOOZCXQMI-HOTGVXAUSA-N -1 1 330.359 2.119 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])c(Cl)c1 ZINC001600448736 1350053980 /nfs/dbraw/zinc/05/39/80/1350053980.db2.gz OMJDHMWCFZPNAU-RISCZKNCSA-N -1 1 340.807 2.199 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@H](N)c2ccccc2)C(=O)[O-])c1 ZINC001600526642 1350073512 /nfs/dbraw/zinc/07/35/12/1350073512.db2.gz DFEQLAVQUSVGTJ-IAGOWNOFSA-N -1 1 326.396 2.055 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600575864 1350087021 /nfs/dbraw/zinc/08/70/21/1350087021.db2.gz SFHKFTDCSHNWQK-CVEARBPZSA-N -1 1 332.444 2.181 20 0 EEADMM Cc1cncc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1 ZINC001600628232 1350101718 /nfs/dbraw/zinc/10/17/18/1350101718.db2.gz OFPHUPKOBIPYIU-UHFFFAOYSA-N -1 1 343.364 2.437 20 0 EEADMM Cc1nc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)co1 ZINC001600702074 1350118482 /nfs/dbraw/zinc/11/84/82/1350118482.db2.gz HRVFNISHCAGUSG-GOSISDBHSA-N -1 1 329.400 2.192 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC[C@H](OC(F)F)C1 ZINC001600783909 1350135955 /nfs/dbraw/zinc/13/59/55/1350135955.db2.gz FWTNFYZSYHAQAA-LBPRGKRZSA-N -1 1 331.363 2.178 20 0 EEADMM Cc1oc(CN(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc1C(=O)[O-] ZINC001600843773 1350149547 /nfs/dbraw/zinc/14/95/47/1350149547.db2.gz QTOUWMKCCPPJFT-KBPBESRZSA-N -1 1 327.352 2.352 20 0 EEADMM Cn1c(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)nc2ccccc2c1=O ZINC001600913823 1350166592 /nfs/dbraw/zinc/16/65/92/1350166592.db2.gz QUKXEGDDQOVNFS-WWGRRREGSA-N -1 1 341.411 2.009 20 0 EEADMM Cn1cc(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1C(=O)[O-] ZINC001600955081 1350176059 /nfs/dbraw/zinc/17/60/59/1350176059.db2.gz UXEOEEQYCDMZJO-OCCSQVGLSA-N -1 1 336.413 2.148 20 0 EEADMM Cn1ncc2c1CC(C)(C)CN(Cc1ccc(OCC(=O)[O-])cc1)C2 ZINC001601030346 1350193901 /nfs/dbraw/zinc/19/39/01/1350193901.db2.gz GBBDUBVGCSEWGF-UHFFFAOYSA-N -1 1 343.427 2.468 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(CCC(=O)NC1CCCC1)C2 ZINC001601276382 1350247019 /nfs/dbraw/zinc/24/70/19/1350247019.db2.gz BKMOHCDAAHQMKH-UHFFFAOYSA-N -1 1 332.400 2.028 20 0 EEADMM O=C([O-])C1(NC(=O)CN[C@@H]2CCc3c2cccc3F)CCCCC1 ZINC001601328173 1350258349 /nfs/dbraw/zinc/25/83/49/1350258349.db2.gz BLPODIXWAKDPIU-OAHLLOKOSA-N -1 1 334.391 2.306 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)Cc2ccccc21 ZINC001601847118 1350379330 /nfs/dbraw/zinc/37/93/30/1350379330.db2.gz OCIKZQCGBXDXIT-MRXNPFEDSA-N -1 1 348.362 2.296 20 0 EEADMM O=C([O-])/C=C/c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC001601878764 1350387948 /nfs/dbraw/zinc/38/79/48/1350387948.db2.gz JFXYGAVZIQFQOD-MMQHEFTJSA-N -1 1 326.352 2.273 20 0 EEADMM O=C([O-])CN1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC001602060539 1350430114 /nfs/dbraw/zinc/43/01/14/1350430114.db2.gz DOHBNKXFEUKQSV-UHFFFAOYSA-N -1 1 338.407 2.120 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)on1 ZINC001602294886 1350487145 /nfs/dbraw/zinc/48/71/45/1350487145.db2.gz RAAFVLXXFVNCST-GARJFASQSA-N -1 1 328.390 2.010 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN[C@]3(CCO)CCOC3)o2)cc1 ZINC001602309954 1350490355 /nfs/dbraw/zinc/49/03/55/1350490355.db2.gz ZRAXNCGZFKZLGS-GOSISDBHSA-N -1 1 331.368 2.276 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@H](O)c1ccc(F)cn1)CC2 ZINC001602366890 1350505311 /nfs/dbraw/zinc/50/53/11/1350505311.db2.gz LAFNTNKZKGVRJF-INIZCTEOSA-N -1 1 334.322 2.150 20 0 EEADMM O=C([O-])c1cccc2c1CCN2C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602458523 1350523835 /nfs/dbraw/zinc/52/38/35/1350523835.db2.gz YROYIYZCDJZQRJ-UHFFFAOYSA-N -1 1 334.335 2.373 20 0 EEADMM O=C([O-])c1cnc(CN[C@H]2c3ccccc3CC23CCOCC3)cn1 ZINC001602521777 1350538081 /nfs/dbraw/zinc/53/80/81/1350538081.db2.gz YKQFPSTXVQVNBX-KRWDZBQOSA-N -1 1 339.395 2.359 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)c1ccc(F)cc1 ZINC001602901771 1350602882 /nfs/dbraw/zinc/60/28/82/1350602882.db2.gz POJLRZVRWSRESB-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)c1ccc(F)cc1 ZINC001602901771 1350602887 /nfs/dbraw/zinc/60/28/87/1350602887.db2.gz POJLRZVRWSRESB-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM C/C(=C/CN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001602974670 1350616614 /nfs/dbraw/zinc/61/66/14/1350616614.db2.gz GAKLMMILMFBZOR-DGUGNXMESA-N -1 1 325.430 2.090 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)cc2F)n1 ZINC001603127945 1350647100 /nfs/dbraw/zinc/64/71/00/1350647100.db2.gz DXBPAEZFEURMPO-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)cc2F)n1 ZINC001603127945 1350647104 /nfs/dbraw/zinc/64/71/04/1350647104.db2.gz DXBPAEZFEURMPO-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)c(F)c1 ZINC001603145064 1350648648 /nfs/dbraw/zinc/64/86/48/1350648648.db2.gz AOXXDEQMDGPCEZ-NWDGAFQWSA-N -1 1 340.370 2.076 20 0 EEADMM CC(C)(CNc1c2ccccc2nnc1-c1nnn[n-]1)OCC1CC1 ZINC001603150673 1350650678 /nfs/dbraw/zinc/65/06/78/1350650678.db2.gz KJPMFBRMCXZCPS-UHFFFAOYSA-N -1 1 339.403 2.427 20 0 EEADMM CC(C)(CNc1c2ccccc2nnc1-c1nn[n-]n1)OCC1CC1 ZINC001603150673 1350650685 /nfs/dbraw/zinc/65/06/85/1350650685.db2.gz KJPMFBRMCXZCPS-UHFFFAOYSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603148757 1350650946 /nfs/dbraw/zinc/65/09/46/1350650946.db2.gz ICDVVDZNIKSVKD-QKNJOQAUSA-N -1 1 328.412 2.005 20 0 EEADMM CC(C)COc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001603301796 1350682821 /nfs/dbraw/zinc/68/28/21/1350682821.db2.gz CBDSGHAKQFRYKJ-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)n1cnc2ccc(CNc3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001603434880 1350704242 /nfs/dbraw/zinc/70/42/42/1350704242.db2.gz ZKFURIZGOLRGNI-UHFFFAOYSA-N -1 1 334.387 2.226 20 0 EEADMM CC(C)n1cnc2ccc(CNc3ccnc(-c4nn[n-]n4)c3)cc21 ZINC001603434880 1350704246 /nfs/dbraw/zinc/70/42/46/1350704246.db2.gz ZKFURIZGOLRGNI-UHFFFAOYSA-N -1 1 334.387 2.226 20 0 EEADMM C[C@H](CCc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603499827 1350712940 /nfs/dbraw/zinc/71/29/40/1350712940.db2.gz XEGIHSSKISIKDP-SECBINFHSA-N -1 1 346.778 2.259 20 0 EEADMM CC(C)(C)n1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001603567585 1350720500 /nfs/dbraw/zinc/72/05/00/1350720500.db2.gz FXPHKCMSLQUWCL-UHFFFAOYSA-N -1 1 327.344 2.465 20 0 EEADMM C[C@@H](CSc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001603570762 1350722304 /nfs/dbraw/zinc/72/23/04/1350722304.db2.gz CKWNYWTZGGVLDD-NSHDSACASA-N -1 1 327.417 2.274 20 0 EEADMM C[C@@H](CSc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001603570762 1350722308 /nfs/dbraw/zinc/72/23/08/1350722308.db2.gz CKWNYWTZGGVLDD-NSHDSACASA-N -1 1 327.417 2.274 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC001603759635 1350759485 /nfs/dbraw/zinc/75/94/85/1350759485.db2.gz PDAZEHDVXPNYKY-KSZLIROESA-N -1 1 344.455 2.466 20 0 EEADMM CC1(C)C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC001603764348 1350760856 /nfs/dbraw/zinc/76/08/56/1350760856.db2.gz IEYNCURMLUIANN-INIZCTEOSA-N -1 1 348.410 2.343 20 0 EEADMM CC1(C)C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC001603764348 1350760858 /nfs/dbraw/zinc/76/08/58/1350760858.db2.gz IEYNCURMLUIANN-INIZCTEOSA-N -1 1 348.410 2.343 20 0 EEADMM CC(C)C[C@H]1CN(C)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001603785122 1350767574 /nfs/dbraw/zinc/76/75/74/1350767574.db2.gz VZOACDDPOGZTQO-LBPRGKRZSA-N -1 1 339.461 2.047 20 0 EEADMM CC1(C)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1[C@H]1CCCO1 ZINC001603787951 1350768062 /nfs/dbraw/zinc/76/80/62/1350768062.db2.gz PQSIOWQUJRHZOF-ZWNOBZJWSA-N -1 1 334.811 2.309 20 0 EEADMM CC1(C)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1[C@H]1CCCO1 ZINC001603787951 1350768066 /nfs/dbraw/zinc/76/80/66/1350768066.db2.gz PQSIOWQUJRHZOF-ZWNOBZJWSA-N -1 1 334.811 2.309 20 0 EEADMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc2n1CCN[C@@H]2C ZINC001603806157 1350773126 /nfs/dbraw/zinc/77/31/26/1350773126.db2.gz HEFFSNFNZXIORN-CYBMUJFWSA-N -1 1 335.448 2.361 20 0 EEADMM CC(C)c1nc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001604020995 1350831274 /nfs/dbraw/zinc/83/12/74/1350831274.db2.gz IVHAPNACIZFPDT-JTQLQIEISA-N -1 1 331.376 2.438 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604117124 1350863584 /nfs/dbraw/zinc/86/35/84/1350863584.db2.gz XNKPDDGUTDMJDX-QGZVFWFLSA-N -1 1 348.410 2.340 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604117124 1350863591 /nfs/dbraw/zinc/86/35/91/1350863591.db2.gz XNKPDDGUTDMJDX-QGZVFWFLSA-N -1 1 348.410 2.340 20 0 EEADMM CCCC(C)(C)CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001604128469 1350866782 /nfs/dbraw/zinc/86/67/82/1350866782.db2.gz PIRPVDQIZXYIBD-UHFFFAOYSA-N -1 1 344.419 2.489 20 0 EEADMM C[C@H](CCOc1ccccc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604146922 1350874192 /nfs/dbraw/zinc/87/41/92/1350874192.db2.gz CLAZHNGUUJKDCG-CVEARBPZSA-N -1 1 348.443 2.099 20 0 EEADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001604155965 1350877716 /nfs/dbraw/zinc/87/77/16/1350877716.db2.gz MHCILHUXPDRHOH-PWSUYJOCSA-N -1 1 330.392 2.425 20 0 EEADMM CCCc1nnc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001604248209 1350902577 /nfs/dbraw/zinc/90/25/77/1350902577.db2.gz WEBMDOIMZLFFLU-UHFFFAOYSA-N -1 1 329.798 2.463 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(C(=O)[O-])co1 ZINC001604324696 1350915362 /nfs/dbraw/zinc/91/53/62/1350915362.db2.gz KVNQDYFFIARSLL-DOMZBBRYSA-N -1 1 330.384 2.328 20 0 EEADMM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)C(=O)N1c2ccccc2C[C@H]1C ZINC001604349091 1350921713 /nfs/dbraw/zinc/92/17/13/1350921713.db2.gz DNQSUPICJGXQQZ-VXGBXAGGSA-N -1 1 327.384 2.169 20 0 EEADMM CCOC1CC2(C[C@@H]2Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001604411784 1350932396 /nfs/dbraw/zinc/93/23/96/1350932396.db2.gz GWEPBDWMAQPPOS-OGPOBYPUSA-N -1 1 326.813 2.346 20 0 EEADMM CCOC1CC2(C[C@@H]2Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001604411784 1350932394 /nfs/dbraw/zinc/93/23/94/1350932394.db2.gz GWEPBDWMAQPPOS-OGPOBYPUSA-N -1 1 326.813 2.346 20 0 EEADMM CCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001604447301 1350939842 /nfs/dbraw/zinc/93/98/42/1350939842.db2.gz SXMSJQIKLVKNCD-UHFFFAOYSA-N -1 1 327.344 2.097 20 0 EEADMM CCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604447301 1350939844 /nfs/dbraw/zinc/93/98/44/1350939844.db2.gz SXMSJQIKLVKNCD-UHFFFAOYSA-N -1 1 327.344 2.097 20 0 EEADMM CCOc1ccc(C=O)c(OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001604457950 1350941494 /nfs/dbraw/zinc/94/14/94/1350941494.db2.gz QZNSRNBWJUIYKW-UHFFFAOYSA-N -1 1 331.357 2.113 20 0 EEADMM CCOc1ccc(C=O)c(OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001604457950 1350941495 /nfs/dbraw/zinc/94/14/95/1350941495.db2.gz QZNSRNBWJUIYKW-UHFFFAOYSA-N -1 1 331.357 2.113 20 0 EEADMM CCc1nc(Oc2cccc(-n3cccn3)c2)cc(-c2nnn[n-]2)n1 ZINC001604570315 1350962159 /nfs/dbraw/zinc/96/21/59/1350962159.db2.gz BDKOUUZYRYEECN-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CCc1nc(Oc2cccc(-n3cccn3)c2)cc(-c2nn[n-]n2)n1 ZINC001604570315 1350962165 /nfs/dbraw/zinc/96/21/65/1350962165.db2.gz BDKOUUZYRYEECN-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CCc1nc(Oc2cncc(Br)c2)cc(-c2nnn[n-]2)n1 ZINC001604571740 1350962735 /nfs/dbraw/zinc/96/27/35/1350962735.db2.gz ZXOMYWVRTDJRGY-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CCc1nc(Oc2cncc(Br)c2)cc(-c2nn[n-]n2)n1 ZINC001604571740 1350962737 /nfs/dbraw/zinc/96/27/37/1350962737.db2.gz ZXOMYWVRTDJRGY-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CCc1nc(Oc2cccc(-c3nnco3)c2)cc(-c2nnn[n-]2)n1 ZINC001604570543 1350962772 /nfs/dbraw/zinc/96/27/72/1350962772.db2.gz HXNOEPQSJKHOFU-UHFFFAOYSA-N -1 1 336.315 2.061 20 0 EEADMM CCc1nc(Oc2cccc(-c3nnco3)c2)cc(-c2nn[n-]n2)n1 ZINC001604570543 1350962775 /nfs/dbraw/zinc/96/27/75/1350962775.db2.gz HXNOEPQSJKHOFU-UHFFFAOYSA-N -1 1 336.315 2.061 20 0 EEADMM CC1(N2CCOCC2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001604589526 1350966019 /nfs/dbraw/zinc/96/60/19/1350966019.db2.gz RPNPXRXNWANQNY-UHFFFAOYSA-N -1 1 347.415 2.103 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC001604717123 1350991156 /nfs/dbraw/zinc/99/11/56/1350991156.db2.gz PXHPVSCSVAKCKL-ILXRZTDVSA-N -1 1 325.453 2.146 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001604718464 1350991384 /nfs/dbraw/zinc/99/13/84/1350991384.db2.gz WPJGFABFSSJMEQ-LBTNJELSSA-N -1 1 333.432 2.151 20 0 EEADMM C[C@@H]1CN(C(=O)[C@@H]2CCSc3ccccc32)CCN1CCC(=O)[O-] ZINC001604770923 1351000181 /nfs/dbraw/zinc/00/01/81/1351000181.db2.gz JAUSMNYHWGADOR-UKRRQHHQSA-N -1 1 348.468 2.273 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC001604792907 1351005015 /nfs/dbraw/zinc/00/50/15/1351005015.db2.gz IYLDTZSCZMZYSK-AWEZNQCLSA-N -1 1 328.412 2.267 20 0 EEADMM CC[C@H](C)[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949077 1351037314 /nfs/dbraw/zinc/03/73/14/1351037314.db2.gz YCGRXUBBMPUXMK-YLWLKBPMSA-N -1 1 346.352 2.097 20 0 EEADMM COC(=O)c1cc(CSc2cccnc2-c2nnn[n-]2)oc1C ZINC001604966464 1351040601 /nfs/dbraw/zinc/04/06/01/1351040601.db2.gz KCGJYZIHWUMWHR-UHFFFAOYSA-N -1 1 331.357 2.242 20 0 EEADMM COC(=O)c1cc(CSc2cccnc2-c2nn[n-]n2)oc1C ZINC001604966464 1351040604 /nfs/dbraw/zinc/04/06/04/1351040604.db2.gz KCGJYZIHWUMWHR-UHFFFAOYSA-N -1 1 331.357 2.242 20 0 EEADMM CO[C@H](CC(C)C)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001605006454 1351050737 /nfs/dbraw/zinc/05/07/37/1351050737.db2.gz FHFXRGGPCSYGCH-GFCCVEGCSA-N -1 1 327.388 2.243 20 0 EEADMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001605180171 1351097340 /nfs/dbraw/zinc/09/73/40/1351097340.db2.gz VXLNCFFXOVYTKD-CQSZACIVSA-N -1 1 348.447 2.399 20 0 EEADMM COc1cc2c(cc1Cl)CN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC001605238950 1351113383 /nfs/dbraw/zinc/11/33/83/1351113383.db2.gz QXEMCSRIFPGTPH-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1cc2c(cc1Cl)CN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC001605238950 1351113387 /nfs/dbraw/zinc/11/33/87/1351113387.db2.gz QXEMCSRIFPGTPH-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1ccc2ccccc2c1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001605310922 1351132687 /nfs/dbraw/zinc/13/26/87/1351132687.db2.gz COVMYVJZBLGFAN-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccc2ccccc2c1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001605310922 1351132689 /nfs/dbraw/zinc/13/26/89/1351132689.db2.gz COVMYVJZBLGFAN-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccccc1CN(Cc1nc(-c2nnn[n-]2)cs1)C1CC1 ZINC001605333757 1351139149 /nfs/dbraw/zinc/13/91/49/1351139149.db2.gz UOTVCJSIKGOZKU-UHFFFAOYSA-N -1 1 342.428 2.496 20 0 EEADMM COc1ccccc1CN(Cc1nc(-c2nn[n-]n2)cs1)C1CC1 ZINC001605333757 1351139153 /nfs/dbraw/zinc/13/91/53/1351139153.db2.gz UOTVCJSIKGOZKU-UHFFFAOYSA-N -1 1 342.428 2.496 20 0 EEADMM COc1ncc(NC(=O)c2cc3ccsc3[nH]2)cc1-c1nn[n-]n1 ZINC001605346002 1351141640 /nfs/dbraw/zinc/14/16/40/1351141640.db2.gz GMHYUOMNAPXSPX-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ncc(NC(=O)NCCC(C)(C)C2CC2)cc1-c1nn[n-]n1 ZINC001605346522 1351141866 /nfs/dbraw/zinc/14/18/66/1351141866.db2.gz FDAIDQHHGWVOPY-UHFFFAOYSA-N -1 1 345.407 2.218 20 0 EEADMM CCCc1c(C(=O)Nc2nc(C(=O)OCC)c[nH]2)[nH]c(C)c1C(=O)[O-] ZINC001605370064 1351145561 /nfs/dbraw/zinc/14/55/61/1351145561.db2.gz AIZIIYJMIXLVPB-UHFFFAOYSA-N -1 1 348.359 2.126 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cc2ccccc2o1 ZINC001605403201 1351154479 /nfs/dbraw/zinc/15/44/79/1351154479.db2.gz FKOXUOOODPKZAJ-LLVKDONJSA-N -1 1 348.366 2.428 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cc2ccccc2o1 ZINC001605403201 1351154481 /nfs/dbraw/zinc/15/44/81/1351154481.db2.gz FKOXUOOODPKZAJ-LLVKDONJSA-N -1 1 348.366 2.428 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](Cc2ccccc2)c2ncco2)n1 ZINC001605568936 1351191925 /nfs/dbraw/zinc/19/19/25/1351191925.db2.gz XGEFSMJWGSOXTM-CQSZACIVSA-N -1 1 348.370 2.349 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](Cc2ccccc2)c2ncco2)n1 ZINC001605568936 1351191927 /nfs/dbraw/zinc/19/19/27/1351191927.db2.gz XGEFSMJWGSOXTM-CQSZACIVSA-N -1 1 348.370 2.349 20 0 EEADMM Cc1ccc(F)c(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)c1F ZINC001605862220 1351240169 /nfs/dbraw/zinc/24/01/69/1351240169.db2.gz CCRFVKRRNSCHGI-UHFFFAOYSA-N -1 1 343.337 2.152 20 0 EEADMM Cc1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)nc1-c1nnn[n-]1 ZINC001605864776 1351240465 /nfs/dbraw/zinc/24/04/65/1351240465.db2.gz LZWYRIVPENBWJL-CQSZACIVSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)nc1-c1nn[n-]n1 ZINC001605864776 1351240467 /nfs/dbraw/zinc/24/04/67/1351240467.db2.gz LZWYRIVPENBWJL-CQSZACIVSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nnn[n-]2)n1 ZINC001605871687 1351242391 /nfs/dbraw/zinc/24/23/91/1351242391.db2.gz IAYCPRGKMQFNRC-GFCCVEGCSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1ccc(N[C@@H]2CCOC3(CCSCC3)C2)c(-c2nn[n-]n2)n1 ZINC001605871687 1351242395 /nfs/dbraw/zinc/24/23/95/1351242395.db2.gz IAYCPRGKMQFNRC-GFCCVEGCSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c(-c2nnn[n-]2)n1 ZINC001605871970 1351242701 /nfs/dbraw/zinc/24/27/01/1351242701.db2.gz PHOWNJLMOCGYAV-UKRRQHHQSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)c(-c2nn[n-]n2)n1 ZINC001605871970 1351242704 /nfs/dbraw/zinc/24/27/04/1351242704.db2.gz PHOWNJLMOCGYAV-UKRRQHHQSA-N -1 1 337.387 2.297 20 0 EEADMM CCc1oc(CNCCNC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC001605890531 1351248069 /nfs/dbraw/zinc/24/80/69/1351248069.db2.gz IWMTXJNMPWOSPZ-UHFFFAOYSA-N -1 1 346.383 2.068 20 0 EEADMM Cc1ncc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)s1 ZINC001606089255 1351269188 /nfs/dbraw/zinc/26/91/88/1351269188.db2.gz KHAOVBDOAXNVKG-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM CNC(=O)CC[C@@H]1CCCCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001606267882 1351288017 /nfs/dbraw/zinc/28/80/17/1351288017.db2.gz QUXZGNGUDWVXMS-QWRGUYRKSA-N -1 1 325.434 2.283 20 0 EEADMM Cn1ncc(C2CCC2)c1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606276278 1351288756 /nfs/dbraw/zinc/28/87/56/1351288756.db2.gz JUWGBHRVDXAOBI-UHFFFAOYSA-N -1 1 344.400 2.286 20 0 EEADMM Fc1cccc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nnn[n-]1 ZINC001606328757 1351293669 /nfs/dbraw/zinc/29/36/69/1351293669.db2.gz HFFUZDOUMXAMQA-XCBNKYQSSA-N -1 1 332.257 2.495 20 0 EEADMM Fc1cccc(OC[C@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001606328757 1351293671 /nfs/dbraw/zinc/29/36/71/1351293671.db2.gz HFFUZDOUMXAMQA-XCBNKYQSSA-N -1 1 332.257 2.495 20 0 EEADMM O=C([C@H]1CCCC(F)(F)C1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606469744 1351307083 /nfs/dbraw/zinc/30/70/83/1351307083.db2.gz MLKLMTLEBORBAL-JTQLQIEISA-N -1 1 348.357 2.366 20 0 EEADMM O=C([C@H]1CCCC(F)(F)C1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606469744 1351307085 /nfs/dbraw/zinc/30/70/85/1351307085.db2.gz MLKLMTLEBORBAL-JTQLQIEISA-N -1 1 348.357 2.366 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(CCc1ccccc1)C1CC1 ZINC001606595562 1351329495 /nfs/dbraw/zinc/32/94/95/1351329495.db2.gz ZHFDRPJWJPJJIL-UHFFFAOYSA-N -1 1 348.410 2.038 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(CCc1ccccc1)C1CC1 ZINC001606595562 1351329498 /nfs/dbraw/zinc/32/94/98/1351329498.db2.gz ZHFDRPJWJPJJIL-UHFFFAOYSA-N -1 1 348.410 2.038 20 0 EEADMM COC(=O)c1cccc([C@@H](C(=O)[O-])N2C[C@H](C)OC3(CCC3)C2)c1 ZINC001606612721 1351332098 /nfs/dbraw/zinc/33/20/98/1351332098.db2.gz KKEYEDKIBXTUKC-WFASDCNBSA-N -1 1 333.384 2.242 20 0 EEADMM O=C(N1CCCc2nc(-c3nnn[n-]3)ccc21)C1(F)CCCCC1 ZINC001606632316 1351334836 /nfs/dbraw/zinc/33/48/36/1351334836.db2.gz RTVHDLZGIJVKPA-UHFFFAOYSA-N -1 1 330.367 2.213 20 0 EEADMM O=C(N1CCCc2nc(-c3nn[n-]n3)ccc21)C1(F)CCCCC1 ZINC001606632316 1351334840 /nfs/dbraw/zinc/33/48/40/1351334840.db2.gz RTVHDLZGIJVKPA-UHFFFAOYSA-N -1 1 330.367 2.213 20 0 EEADMM COC(=O)c1oc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1C ZINC001606636777 1351335227 /nfs/dbraw/zinc/33/52/27/1351335227.db2.gz IEHWQHNFDIDZMH-UHFFFAOYSA-N -1 1 343.295 2.201 20 0 EEADMM O=C(N[C@@H]1CCCOc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606670081 1351340144 /nfs/dbraw/zinc/34/01/44/1351340144.db2.gz JZQFRFPBKCWOJG-GFCCVEGCSA-N -1 1 325.328 2.103 20 0 EEADMM O=C(N[C@@H]1CCCOc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606670081 1351340145 /nfs/dbraw/zinc/34/01/45/1351340145.db2.gz JZQFRFPBKCWOJG-GFCCVEGCSA-N -1 1 325.328 2.103 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)N(C)C2CCCCC2)C(=O)[O-])C1 ZINC001606742609 1351350185 /nfs/dbraw/zinc/35/01/85/1351350185.db2.gz QWKWTOPZECPTJT-YSVLISHTSA-N -1 1 340.464 2.026 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1nc(Cl)ccc1F ZINC001606832002 1351363131 /nfs/dbraw/zinc/36/31/31/1351363131.db2.gz MZMJNWBTGOCCHZ-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC(C2CC2)CC1 ZINC001606831541 1351363504 /nfs/dbraw/zinc/36/35/04/1351363504.db2.gz NNMCWMOMDANLEF-UHFFFAOYSA-N -1 1 332.433 2.260 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCc2ccccc21 ZINC001606844182 1351366151 /nfs/dbraw/zinc/36/61/51/1351366151.db2.gz AJWQXEWPJOPVSG-LBPRGKRZSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCc2ccccc21 ZINC001606844182 1351366153 /nfs/dbraw/zinc/36/61/53/1351366153.db2.gz AJWQXEWPJOPVSG-LBPRGKRZSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1coc2ccccc12 ZINC001606892387 1351370932 /nfs/dbraw/zinc/37/09/32/1351370932.db2.gz HKTGZUPITUCNAE-UHFFFAOYSA-N -1 1 335.327 2.466 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1C1CCOCC1 ZINC001606978779 1351391094 /nfs/dbraw/zinc/39/10/94/1351391094.db2.gz IANOPTJGJGDCGK-NWDGAFQWSA-N -1 1 334.401 2.034 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CSc1nnnn1C1CCCC1 ZINC001607117708 1351425877 /nfs/dbraw/zinc/42/58/77/1351425877.db2.gz RZEMMMIJXCNGPV-UHFFFAOYSA-N -1 1 334.434 2.322 20 0 EEADMM COc1cc(NC(=O)c2cn[nH]c2-c2ccncc2)ccc1C(=O)[O-] ZINC001607179148 1351443923 /nfs/dbraw/zinc/44/39/23/1351443923.db2.gz SJYKAFSMDPUCAZ-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM COc1ccc([C@H](CO)CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001607224980 1351452866 /nfs/dbraw/zinc/45/28/66/1351452866.db2.gz NLHNYJRKAIICGN-PWSUYJOCSA-N -1 1 336.413 2.277 20 0 EEADMM COc1ccc2c(c1)C(=O)N(CN1CCC[C@H](C(C)(C)C(=O)[O-])C1)C2 ZINC001607294109 1351466480 /nfs/dbraw/zinc/46/64/80/1351466480.db2.gz CYXPTTPPGLJOSU-AWEZNQCLSA-N -1 1 346.427 2.431 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001607337831 1351477422 /nfs/dbraw/zinc/47/74/22/1351477422.db2.gz GFGPGIPPLQYZAC-CABCVRRESA-N -1 1 348.443 2.449 20 0 EEADMM C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])co1 ZINC001607482103 1351500745 /nfs/dbraw/zinc/50/07/45/1351500745.db2.gz FVKVGYBOUYBQGN-KWQFWETISA-N -1 1 334.294 2.009 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@H](CO)c1ccccc1C ZINC001607740625 1351550157 /nfs/dbraw/zinc/55/01/57/1351550157.db2.gz ZZAJNIZRHCRABA-QGZVFWFLSA-N -1 1 342.395 2.263 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)C(C)(C)c2cnc[nH]2)C(=O)[O-])c1 ZINC001607847024 1351570297 /nfs/dbraw/zinc/57/02/97/1351570297.db2.gz NMSYBWPMPHHQBB-AWEZNQCLSA-N -1 1 329.400 2.055 20 0 EEADMM Cc1oc(CN(C)C[C@H](O)CC2(O)CCCCC2)cc1C(=O)[O-] ZINC001608046051 1351613175 /nfs/dbraw/zinc/61/31/75/1351613175.db2.gz MSYVTZKBUIFDMZ-CYBMUJFWSA-N -1 1 325.405 2.164 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H]2CCc3ncnn32)nc1C(=O)[O-] ZINC001608068268 1351618457 /nfs/dbraw/zinc/61/84/57/1351618457.db2.gz MHXWUOBZLFRZDP-WDEREUQCSA-N -1 1 333.417 2.066 20 0 EEADMM O=C([O-])c1cc(NC(=O)CCCCc2cn[nH]n2)cc2[nH]ccc21 ZINC001608303296 1351667160 /nfs/dbraw/zinc/66/71/60/1351667160.db2.gz YYNWHAYYBUWHFE-UHFFFAOYSA-N -1 1 327.344 2.336 20 0 EEADMM O=C(CN1CCC[C@@H]2C[C@@]21C(=O)[O-])N[C@@H](c1ccccc1)C1CC1 ZINC001608330491 1351672402 /nfs/dbraw/zinc/67/24/02/1351672402.db2.gz LCVYSZMQLIBADS-AYBZRNKSSA-N -1 1 328.412 2.193 20 0 EEADMM CC(C)C[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC(C)C)C1 ZINC001649188175 1352386532 /nfs/dbraw/zinc/38/65/32/1352386532.db2.gz YERLCDHJERXOIV-CQSZACIVSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)C[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)C1 ZINC001649188175 1352386537 /nfs/dbraw/zinc/38/65/37/1352386537.db2.gz YERLCDHJERXOIV-CQSZACIVSA-N -1 1 346.483 2.301 20 0 EEADMM COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC001625210492 1352443339 /nfs/dbraw/zinc/44/33/39/1352443339.db2.gz DRBBCYDALDLWPD-UHFFFAOYSA-N -1 1 329.287 2.447 20 0 EEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ncc[nH]1 ZINC001625580382 1352452345 /nfs/dbraw/zinc/45/23/45/1352452345.db2.gz CIXPOKBQHZETPB-UHFFFAOYSA-N -1 1 342.380 2.463 20 0 EEADMM CCC(CC)(NC(=O)Cc1c[nH]c2cc(C)ccc12)c1nn[n-]n1 ZINC001626904560 1352476922 /nfs/dbraw/zinc/47/69/22/1352476922.db2.gz SISGZGTZPVPMEW-UHFFFAOYSA-N -1 1 326.404 2.364 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC001627143691 1352485165 /nfs/dbraw/zinc/48/51/65/1352485165.db2.gz VQVFDXZRBYOJET-UHFFFAOYSA-N -1 1 325.376 2.305 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001627759063 1352509270 /nfs/dbraw/zinc/50/92/70/1352509270.db2.gz CGOCKZHMGCLBFT-UHFFFAOYSA-N -1 1 349.394 2.473 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnn2c1OCCC2 ZINC001629758357 1352557956 /nfs/dbraw/zinc/55/79/56/1352557956.db2.gz CYEHQYCGRFWAIW-UHFFFAOYSA-N -1 1 325.328 2.014 20 0 EEADMM CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060950319 1352773436 /nfs/dbraw/zinc/77/34/36/1352773436.db2.gz OMHNXWRISAZDHO-ZCFIWIBFSA-N -1 1 345.273 2.248 20 0 EEADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CNC[C@H](O)C(=O)[O-] ZINC001647416029 1353269564 /nfs/dbraw/zinc/26/95/64/1353269564.db2.gz KFCNSEWQLAGORD-ZDUSSCGKSA-N -1 1 337.807 2.184 20 0 EEADMM O=C(Cn1cc(C2CC2)nn1)Nc1cccc([O-])c1Br ZINC001647422459 1353271498 /nfs/dbraw/zinc/27/14/98/1353271498.db2.gz OPTIAZWLLJXUCP-UHFFFAOYSA-N -1 1 337.177 2.262 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1C(F)(F)F ZINC001649332731 1353483442 /nfs/dbraw/zinc/48/34/42/1353483442.db2.gz CBLLNANZWBZMBX-SNVBAGLBSA-N -1 1 325.294 2.157 20 0 EEADMM C[C@@](O)(CCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649791088 1353600178 /nfs/dbraw/zinc/60/01/78/1353600178.db2.gz PPXRTJIANXRDDC-LJQANCHMSA-N -1 1 344.363 2.208 20 0 EEADMM COc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cn1 ZINC001654506012 1354150296 /nfs/dbraw/zinc/15/02/96/1354150296.db2.gz WTIXKJOZQXCVHW-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM COc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cn1 ZINC001654506012 1354150298 /nfs/dbraw/zinc/15/02/98/1354150298.db2.gz WTIXKJOZQXCVHW-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1nn[n-]n1 ZINC001666697056 1355567904 /nfs/dbraw/zinc/56/79/04/1355567904.db2.gz FTBVPMGWGUSKLS-LBPRGKRZSA-N -1 1 331.405 2.297 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001388739603 1387687944 /nfs/dbraw/zinc/68/79/44/1387687944.db2.gz OCAWIHDHSPCRKJ-ZIAGYGMSSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)CN(/C=C\c2ccccc2)C1=O ZINC000736469104 1367705656 /nfs/dbraw/zinc/70/56/56/1367705656.db2.gz ZHYKZNBLSXZBNT-NTMALXAHSA-N -1 1 345.399 2.064 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNC(=O)c2ccncc2[O-])CCCC1 ZINC001188639145 1368310215 /nfs/dbraw/zinc/31/02/15/1368310215.db2.gz UYQHKZSTXFSOLE-UHFFFAOYSA-N -1 1 335.404 2.355 20 0 EEADMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCCF)cc1O ZINC001189920136 1368383883 /nfs/dbraw/zinc/38/38/83/1368383883.db2.gz SUYKPHLADVDXLG-UHFFFAOYSA-N -1 1 333.381 2.449 20 0 EEADMM CC(C)CC(=O)NC1CCN(C(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195305745 1368516318 /nfs/dbraw/zinc/51/63/18/1368516318.db2.gz OCUCBAFUWOVGSX-UHFFFAOYSA-N -1 1 339.823 2.208 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO[C@H]1C1CC1 ZINC000867117458 1368522047 /nfs/dbraw/zinc/52/20/47/1368522047.db2.gz FCTRUUDBKXERFS-GXTWGEPZSA-N -1 1 348.827 2.358 20 0 EEADMM Cc1ccc(C)c(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001487903914 1368738962 /nfs/dbraw/zinc/73/89/62/1368738962.db2.gz ROHBQIGCTZSYDS-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1ccc[n+]([O-])c1 ZINC000106831750 1369016874 /nfs/dbraw/zinc/01/68/74/1369016874.db2.gz KMNGQLLBLYOFME-UHFFFAOYSA-N -1 1 330.344 2.154 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccco1 ZINC000780479242 1371162324 /nfs/dbraw/zinc/16/23/24/1371162324.db2.gz IFIWJVYNMDEOBT-GHMZBOCLSA-N -1 1 347.362 2.070 20 0 EEADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)[n-]1 ZINC000796906116 1371481311 /nfs/dbraw/zinc/48/13/11/1371481311.db2.gz FJFOEMURCDEEKN-CYBMUJFWSA-N -1 1 328.368 2.485 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C1CC1 ZINC001116461954 1371727324 /nfs/dbraw/zinc/72/73/24/1371727324.db2.gz CQEKZYAGMLFDKK-VIFPVBQESA-N -1 1 325.217 2.092 20 0 EEADMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)OCc1nn[n-]n1 ZINC001123018519 1372086768 /nfs/dbraw/zinc/08/67/68/1372086768.db2.gz JHUZVSBPUYHUPN-UHFFFAOYSA-N -1 1 346.778 2.072 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000830795434 1372349855 /nfs/dbraw/zinc/34/98/55/1372349855.db2.gz KMZDXWNICBXEHV-RJVJFLMVSA-N -1 1 332.366 2.482 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831125662 1372365843 /nfs/dbraw/zinc/36/58/43/1372365843.db2.gz OXHXMIKNGBALQB-UHFFFAOYSA-N -1 1 332.322 2.462 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCN1CCc2ccccc21 ZINC000831614116 1372382825 /nfs/dbraw/zinc/38/28/25/1372382825.db2.gz FHKVEUUKMDSNEK-UHFFFAOYSA-N -1 1 344.440 2.005 20 0 EEADMM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140990608 1372730891 /nfs/dbraw/zinc/73/08/91/1372730891.db2.gz JNRBPIBYAMGSLA-UHFFFAOYSA-N -1 1 338.310 2.393 20 0 EEADMM CC(C)c1ncsc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000838057139 1372819281 /nfs/dbraw/zinc/81/92/81/1372819281.db2.gz XQCXURBAXOGDQB-UHFFFAOYSA-N -1 1 332.381 2.380 20 0 EEADMM CCCNC(=O)COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000838085677 1372821398 /nfs/dbraw/zinc/82/13/98/1372821398.db2.gz RENWHRLZUPFUBQ-UHFFFAOYSA-N -1 1 344.367 2.055 20 0 EEADMM CSc1nc(CNC(=O)c2cc(C(F)(F)F)ccn2)cc(=O)[n-]1 ZINC001362964363 1373473326 /nfs/dbraw/zinc/47/33/26/1373473326.db2.gz KBYLHTITUSURKE-UHFFFAOYSA-N -1 1 344.318 2.248 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc(CN(C)C)cs1 ZINC001363269231 1373499257 /nfs/dbraw/zinc/49/92/57/1373499257.db2.gz OTUZKIFZJHOIPL-UHFFFAOYSA-N -1 1 335.433 2.384 20 0 EEADMM COC(=O)c1ccccc1CCNC(=O)c1c(F)ccc([O-])c1F ZINC001364984899 1373643057 /nfs/dbraw/zinc/64/30/57/1373643057.db2.gz HRBHHUOOLVGCFZ-UHFFFAOYSA-N -1 1 335.306 2.430 20 0 EEADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC001369896650 1374706019 /nfs/dbraw/zinc/70/60/19/1374706019.db2.gz JQAAXIKHIYDALG-KBPBESRZSA-N -1 1 341.411 2.168 20 0 EEADMM CCC(CC)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001370814479 1375043995 /nfs/dbraw/zinc/04/39/95/1375043995.db2.gz DHKNNJJPNCTXQH-JSGCOSHPSA-N -1 1 333.432 2.333 20 0 EEADMM CCC(CC)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001370856599 1375077293 /nfs/dbraw/zinc/07/72/93/1375077293.db2.gz GCPWZTXXYKQFBW-GXTWGEPZSA-N -1 1 333.432 2.333 20 0 EEADMM CN(C(=O)CCCC1CC1)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001371203481 1375295307 /nfs/dbraw/zinc/29/53/07/1375295307.db2.gz NCSTXMLJLCNKHV-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(C)[nH]1 ZINC001371268046 1375338393 /nfs/dbraw/zinc/33/83/93/1375338393.db2.gz CNLDFXBGQDUVEM-GHMZBOCLSA-N -1 1 344.415 2.059 20 0 EEADMM C[C@H](c1ncc(C(C)(C)C)o1)N(C)CCNC(=O)c1ncccc1[O-] ZINC001371952340 1375679992 /nfs/dbraw/zinc/67/99/92/1375679992.db2.gz NVFXDRIFLVPWRF-GFCCVEGCSA-N -1 1 346.431 2.496 20 0 EEADMM CC(C)C[C@H](CNC(=O)C1CC(C)C1)NC(=O)c1ncccc1[O-] ZINC001375820906 1378028763 /nfs/dbraw/zinc/02/87/63/1378028763.db2.gz FATBTTVOTBMVFF-JXQTWKCFSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@H](c1c(F)cccc1F)N(C)CCNC(=O)c1ncccc1[O-] ZINC001377143050 1379000925 /nfs/dbraw/zinc/00/09/25/1379000925.db2.gz ZEDLZNXQAGMVOS-LLVKDONJSA-N -1 1 335.354 2.488 20 0 EEADMM CCN(C(=O)C1(F)CCCC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383716426 1382685284 /nfs/dbraw/zinc/68/52/84/1382685284.db2.gz GBKILLHUZBIRQQ-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM CCC1(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001384391322 1382922156 /nfs/dbraw/zinc/92/21/56/1382922156.db2.gz YMTXRQDQTGILRW-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1)C(C)(C)C ZINC001385466006 1385594950 /nfs/dbraw/zinc/59/49/50/1385594950.db2.gz ARPULNUYHPAYGO-ZDUSSCGKSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)[C@@H](C)C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385468130 1385597763 /nfs/dbraw/zinc/59/77/63/1385597763.db2.gz NJQRWTVYMYUDOR-CYBMUJFWSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(CCC1CCCC1)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385668133 1385757496 /nfs/dbraw/zinc/75/74/96/1385757496.db2.gz FDWXJQVTOHWOMN-OAHLLOKOSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(CC1CCCCC1)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385865799 1385877832 /nfs/dbraw/zinc/87/78/32/1385877832.db2.gz OAQBXBWSIDKPHU-OAHLLOKOSA-N -1 1 345.443 2.382 20 0 EEADMM CC1(CC(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001386127621 1385997864 /nfs/dbraw/zinc/99/78/64/1385997864.db2.gz QCPJKRJBEPUKCO-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM CCCN(CCNC(=O)CCC1CCC1)C(=O)c1ncccc1[O-] ZINC001387407916 1386711838 /nfs/dbraw/zinc/71/18/38/1386711838.db2.gz CEAJGLCACJCVCC-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCCC[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001396365015 1390939524 /nfs/dbraw/zinc/93/95/24/1390939524.db2.gz RJJFVAGBVBNFOR-SOUVJXGZSA-N -1 1 345.443 2.286 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CCCC2 ZINC001398231073 1391944116 /nfs/dbraw/zinc/94/41/16/1391944116.db2.gz QJQRNWNCPJGUKQ-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](CC)C(C)C ZINC001398950992 1394362541 /nfs/dbraw/zinc/36/25/41/1394362541.db2.gz YINZLYCYUBFFHU-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCCC1(C)C ZINC001399361602 1395007438 /nfs/dbraw/zinc/00/74/38/1395007438.db2.gz ZDUVCAJFHCRTGP-OLZOCXBDSA-N -1 1 333.432 2.096 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(C2CCC2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001400804752 1396598368 /nfs/dbraw/zinc/59/83/68/1396598368.db2.gz QZBCWOJSWVWLNR-HNNXBMFYSA-N -1 1 343.431 2.076 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001423609513 1400686533 /nfs/dbraw/zinc/68/65/33/1400686533.db2.gz UFAQHHCGIHRJSI-ZDUSSCGKSA-N -1 1 345.447 2.061 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccccc1C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001425600936 1401657223 /nfs/dbraw/zinc/65/72/23/1401657223.db2.gz USVBIMSHIKSHJF-LBPRGKRZSA-N -1 1 345.447 2.058 20 0 EEADMM C[C@H](CN(C)C(=O)Nc1nn[nH]c1C(=O)NC1CC1)C1CCCCC1 ZINC001426386801 1402060781 /nfs/dbraw/zinc/06/07/81/1402060781.db2.gz KXPYLXIJJJWVAC-LLVKDONJSA-N -1 1 348.451 2.377 20 0 EEADMM CCC(C)(CC)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001426769037 1402183345 /nfs/dbraw/zinc/18/33/45/1402183345.db2.gz LDPFVGZNVGOLMU-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1cccc(C)c1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001426842295 1402221771 /nfs/dbraw/zinc/22/17/71/1402221771.db2.gz GLXNDMLWPLNPLN-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001427845689 1402542836 /nfs/dbraw/zinc/54/28/36/1402542836.db2.gz ZPFKDJJTPQGPGZ-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428139768 1402640389 /nfs/dbraw/zinc/64/03/89/1402640389.db2.gz NKKNOGJLPNFIAS-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc2c1OCO2 ZINC001575486122 1403551325 /nfs/dbraw/zinc/55/13/25/1403551325.db2.gz OQAOQNCPDLPQNM-QMMMGPOBSA-N -1 1 328.284 2.106 20 0 EEADMM C[C@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc2c1OCO2 ZINC001575486122 1403551326 /nfs/dbraw/zinc/55/13/26/1403551326.db2.gz OQAOQNCPDLPQNM-QMMMGPOBSA-N -1 1 328.284 2.106 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC001575486586 1403551396 /nfs/dbraw/zinc/55/13/96/1403551396.db2.gz RIIWMUXTKUCXNR-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC001575486586 1403551399 /nfs/dbraw/zinc/55/13/99/1403551399.db2.gz RIIWMUXTKUCXNR-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM CC[C@@H](C)[C@H](C)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001576611059 1403591601 /nfs/dbraw/zinc/59/16/01/1403591601.db2.gz MPYIDSLRTHUZIM-SCZZXKLOSA-N -1 1 341.412 2.027 20 0 EEADMM CCC(CC)N(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CC1 ZINC001576758884 1403601605 /nfs/dbraw/zinc/60/16/05/1403601605.db2.gz TXCQQHUHAGSCHZ-UHFFFAOYSA-N -1 1 330.392 2.069 20 0 EEADMM CCC[C@@H]1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001577393688 1403644424 /nfs/dbraw/zinc/64/44/24/1403644424.db2.gz XWYCRSLCMKKTPN-GHMZBOCLSA-N -1 1 335.433 2.140 20 0 EEADMM CCc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC001578526408 1403768261 /nfs/dbraw/zinc/76/82/61/1403768261.db2.gz PLKRSQBAFPHNOF-UHFFFAOYSA-N -1 1 338.371 2.014 20 0 EEADMM CCc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC001578526408 1403768267 /nfs/dbraw/zinc/76/82/67/1403768267.db2.gz PLKRSQBAFPHNOF-UHFFFAOYSA-N -1 1 338.371 2.014 20 0 EEADMM CCc1ccc([C@@H](C)CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001578523795 1403768485 /nfs/dbraw/zinc/76/84/85/1403768485.db2.gz PRJJZGIJTQEPPE-NSHDSACASA-N -1 1 339.403 2.295 20 0 EEADMM CCc1ccc([C@@H](C)CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001578523795 1403768493 /nfs/dbraw/zinc/76/84/93/1403768493.db2.gz PRJJZGIJTQEPPE-NSHDSACASA-N -1 1 339.403 2.295 20 0 EEADMM COc1ncc(NC(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC001580139806 1403832962 /nfs/dbraw/zinc/83/29/62/1403832962.db2.gz KWRFPCOEJRQGTE-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ncc(NC(=O)c2ccccc2SC)cc1-c1nn[n-]n1 ZINC001580139901 1403833014 /nfs/dbraw/zinc/83/30/14/1403833014.db2.gz NCKAWQYRBVHACN-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM CCC[C@@H](C)N(C)S(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590551420 1403887131 /nfs/dbraw/zinc/88/71/31/1403887131.db2.gz ZCXUPMFCRCBJBX-SNVBAGLBSA-N -1 1 341.412 2.123 20 0 EEADMM COC(=O)c1ccc(Oc2ccncc2-c2nn[n-]n2)cc1Cl ZINC001591298745 1403902486 /nfs/dbraw/zinc/90/24/86/1403902486.db2.gz YDWRDAPYYHBXCR-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCC[C@@H]2CC2(Cl)Cl)n1 ZINC001591897105 1403970096 /nfs/dbraw/zinc/97/00/96/1403970096.db2.gz APPPOPHYPOORCB-MRVPVSSYSA-N -1 1 328.207 2.351 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCC[C@@H]2CC2(Cl)Cl)n1 ZINC001591897105 1403970102 /nfs/dbraw/zinc/97/01/02/1403970102.db2.gz APPPOPHYPOORCB-MRVPVSSYSA-N -1 1 328.207 2.351 20 0 EEADMM Cc1ccc([C@H](C)C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001592135098 1404002227 /nfs/dbraw/zinc/00/22/27/1404002227.db2.gz OXFSOIFYJJYNHO-QMMMGPOBSA-N -1 1 327.348 2.111 20 0 EEADMM Cc1cccc2c1[C@H](OC(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001592243483 1404012718 /nfs/dbraw/zinc/01/27/18/1404012718.db2.gz ZNNZNRJGMOQTQR-LLVKDONJSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1nsc(NCc2cc3c([nH]c2=O)CCCC3)c1-c1nn[n-]n1 ZINC001592493169 1404703450 /nfs/dbraw/zinc/70/34/50/1404703450.db2.gz OYHRCDRNZSIEGH-UHFFFAOYSA-N -1 1 343.416 2.223 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC001592500169 1404704881 /nfs/dbraw/zinc/70/48/81/1404704881.db2.gz UJXXJBUXPPIJOU-OAHLLOKOSA-N -1 1 345.403 2.189 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC001592500169 1404704885 /nfs/dbraw/zinc/70/48/85/1404704885.db2.gz UJXXJBUXPPIJOU-OAHLLOKOSA-N -1 1 345.403 2.189 20 0 EEADMM O=C(CSc1ccccc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592905057 1404727154 /nfs/dbraw/zinc/72/71/54/1404727154.db2.gz CNQUYTXEDOBXBQ-UHFFFAOYSA-N -1 1 341.400 2.198 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@@H]1CCCC(F)(F)C1 ZINC001592915137 1404729330 /nfs/dbraw/zinc/72/93/30/1404729330.db2.gz QTTRVMWHHVPWKY-LLVKDONJSA-N -1 1 337.330 2.173 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@@H]1CCCC(F)(F)C1 ZINC001592915137 1404729335 /nfs/dbraw/zinc/72/93/35/1404729335.db2.gz QTTRVMWHHVPWKY-LLVKDONJSA-N -1 1 337.330 2.173 20 0 EEADMM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593099135 1404741504 /nfs/dbraw/zinc/74/15/04/1404741504.db2.gz INXCGNVQHGMMOP-ZIAGYGMSSA-N -1 1 337.383 2.458 20 0 EEADMM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593099135 1404741506 /nfs/dbraw/zinc/74/15/06/1404741506.db2.gz INXCGNVQHGMMOP-ZIAGYGMSSA-N -1 1 337.383 2.458 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593224938 1404746423 /nfs/dbraw/zinc/74/64/23/1404746423.db2.gz NEIKOUHTSFGGFC-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593224938 1404746428 /nfs/dbraw/zinc/74/64/28/1404746428.db2.gz NEIKOUHTSFGGFC-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM Cc1nsc(N(C)C(=O)c2csc(C3CC3)n2)c1-c1nnn[n-]1 ZINC001606141632 1404766177 /nfs/dbraw/zinc/76/61/77/1404766177.db2.gz PHOYEUGDDHVZBV-UHFFFAOYSA-N -1 1 347.429 2.242 20 0 EEADMM Cc1nsc(N(C)C(=O)c2csc(C3CC3)n2)c1-c1nn[n-]n1 ZINC001606141632 1404766180 /nfs/dbraw/zinc/76/61/80/1404766180.db2.gz PHOYEUGDDHVZBV-UHFFFAOYSA-N -1 1 347.429 2.242 20 0 EEADMM CNc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC001606310309 1404785819 /nfs/dbraw/zinc/78/58/19/1404785819.db2.gz OEYRKUJIUOIRPY-LLVKDONJSA-N -1 1 339.823 2.003 20 0 EEADMM CC(C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-])=C1CCCC1 ZINC001756443119 1408487913 /nfs/dbraw/zinc/48/79/13/1408487913.db2.gz POWUNAIBXHLSSS-LBPRGKRZSA-N -1 1 331.416 2.254 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001756622665 1409152850 /nfs/dbraw/zinc/15/28/50/1409152850.db2.gz GSOCDUGLAUZRCI-UXHADMKASA-N -1 1 343.427 2.419 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001756622664 1409153047 /nfs/dbraw/zinc/15/30/47/1409153047.db2.gz GSOCDUGLAUZRCI-FVIMBVCGSA-N -1 1 343.427 2.419 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)/C=C/c1ccco1 ZINC001756811908 1409359782 /nfs/dbraw/zinc/35/97/82/1409359782.db2.gz JNTBRCGFEOIIPY-WUOSCTTQSA-N -1 1 343.383 2.107 20 0 EEADMM CN(CCNC(=O)c1cc2ccccc2o1)C(=O)c1ncccc1[O-] ZINC001758982944 1409778924 /nfs/dbraw/zinc/77/89/24/1409778924.db2.gz FRMMLBFVBBHKAH-UHFFFAOYSA-N -1 1 339.351 2.035 20 0 EEADMM O=S(=O)([N-]Cc1ccns1)c1sccc1Br ZINC000404452906 1409789116 /nfs/dbraw/zinc/78/91/16/1409789116.db2.gz SQPNHAOQYGVTHY-UHFFFAOYSA-N -1 1 339.261 2.446 20 0 EEADMM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1cc(Br)ccc1[O-] ZINC000689235371 1410397484 /nfs/dbraw/zinc/39/74/84/1410397484.db2.gz YRNKRLHQLXXZNT-SKDRFNHKSA-N -1 1 328.206 2.388 20 0 EEADMM O=c1cc([C@H]2CC[N@H+](Cc3cscn3)C2)nc(N2CCCC2)[nH]1 ZINC000864329350 1410461038 /nfs/dbraw/zinc/46/10/38/1410461038.db2.gz CAZQYHAPLCMPBK-LBPRGKRZSA-N -1 1 331.445 2.228 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001069593496 1411064031 /nfs/dbraw/zinc/06/40/31/1411064031.db2.gz DYLWVQFBWWZBPR-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC000780350444 760446804 /nfs/dbraw/zinc/44/68/04/760446804.db2.gz 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CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](C)C(=O)OC(C)(C)C ZINC000912282984 788085600 /nfs/dbraw/zinc/08/56/00/788085600.db2.gz SUIPBRWPYKCVGU-SNVBAGLBSA-N -1 1 335.404 2.252 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2c1nc2ccccc2o1 ZINC001062479723 788115273 /nfs/dbraw/zinc/11/52/73/788115273.db2.gz IGVJRDSJNNOKOE-RYUDHWBXSA-N -1 1 336.351 2.032 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nn[n-]n1 ZINC000912859888 788416492 /nfs/dbraw/zinc/41/64/92/788416492.db2.gz HYEJDSIBKPIMGL-JTQLQIEISA-N -1 1 347.778 2.356 20 0 EEADMM CCc1ccc([C@H](C)C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1 ZINC000912860010 788416934 /nfs/dbraw/zinc/41/69/34/788416934.db2.gz HMESNJRAKBRDMI-FZMZJTMJSA-N -1 1 333.461 2.476 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](OC(C)C)c1ccccc1)c1nn[n-]n1 ZINC000912863159 788427247 /nfs/dbraw/zinc/42/72/47/788427247.db2.gz NCUGBPONNUZARH-UONOGXRCSA-N -1 1 349.460 2.276 20 0 EEADMM CSCC[C@H](NC(=O)c1c(F)ccc2ccncc21)c1nn[n-]n1 ZINC000912863266 788427355 /nfs/dbraw/zinc/42/73/55/788427355.db2.gz QXQDKEMAVXXTFO-LBPRGKRZSA-N -1 1 346.391 2.111 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CCN(Cc2nccs2)CC1 ZINC000997039072 788538298 /nfs/dbraw/zinc/53/82/98/788538298.db2.gz KSUDDADRTRTINF-GFCCVEGCSA-N -1 1 346.456 2.274 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(N[C@H]3CCc4cc(Cl)ccc4C3)c2[nH]1 ZINC001171105532 788853154 /nfs/dbraw/zinc/85/31/54/788853154.db2.gz UTBNIBSJSZWHTI-JTQLQIEISA-N -1 1 331.763 2.339 20 0 EEADMM CCC[C@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccn1 ZINC000913438317 788874884 /nfs/dbraw/zinc/87/48/84/788874884.db2.gz QPEQOIPWNVYEQX-HOCLYGCPSA-N -1 1 336.399 2.384 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)NCCc3ccccc3C(=O)[O-])c2C1 ZINC000923124719 788897707 /nfs/dbraw/zinc/89/77/07/788897707.db2.gz QRFOCXKSXIIXPJ-NSHDSACASA-N -1 1 327.384 2.205 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C(F)=C2CCCC2)C1 ZINC001005948746 788982015 /nfs/dbraw/zinc/98/20/15/788982015.db2.gz DKATZECRFZCWKS-LLVKDONJSA-N -1 1 347.390 2.162 20 0 EEADMM CC(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)n[nH]1 ZINC000923165838 789029265 /nfs/dbraw/zinc/02/92/65/789029265.db2.gz MGUQXWBSNYDMBK-NILFDRSVSA-N -1 1 335.404 2.018 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2nc3c(s2)CCCC3)sn1 ZINC000921593585 789795652 /nfs/dbraw/zinc/79/56/52/789795652.db2.gz NRDDRIQHZZTWAO-UHFFFAOYSA-N -1 1 329.472 2.265 20 0 EEADMM CC1(C)C(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)C1(C)C ZINC001062758310 789844792 /nfs/dbraw/zinc/84/47/92/789844792.db2.gz QKSVCSACMFVDDS-UHFFFAOYSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](c1ccc(F)c(F)c1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030242806 789866900 /nfs/dbraw/zinc/86/69/00/789866900.db2.gz WXCVDBDIKLDJPS-SNVBAGLBSA-N -1 1 333.338 2.241 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1)c1ccncc1 ZINC001144561702 789938603 /nfs/dbraw/zinc/93/86/03/789938603.db2.gz MHXZMZVPXMQGAD-CYBMUJFWSA-N -1 1 347.365 2.460 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840227 789939760 /nfs/dbraw/zinc/93/97/60/789939760.db2.gz UWNUZFPVOLSRBS-CHWSQXEVSA-N -1 1 345.443 2.238 20 0 EEADMM COc1ccnc(O[C@@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)n1 ZINC001144663624 790019911 /nfs/dbraw/zinc/01/99/11/790019911.db2.gz IFMPUFPIDMVYPW-LLVKDONJSA-N -1 1 337.326 2.122 20 0 EEADMM O=C([O-])/C=C\c1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000846258178 790106554 /nfs/dbraw/zinc/10/65/54/790106554.db2.gz RQVHSMRWOBUFIV-AGCMFXJMSA-N -1 1 349.452 2.370 20 0 EEADMM Cc1nc(Cl)cc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060856837 790117927 /nfs/dbraw/zinc/11/79/27/790117927.db2.gz SNRHSSOPBMBUSE-NSHDSACASA-N -1 1 347.806 2.113 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](CO)CCF)c([O-])c1 ZINC000846556496 790233272 /nfs/dbraw/zinc/23/32/72/790233272.db2.gz GLVTZGDUUIBFPD-LLVKDONJSA-N -1 1 342.367 2.190 20 0 EEADMM O=C(NC1(CNC(=O)[C@H]2CCCC23CC3)CCC1)c1ncccc1[O-] ZINC001063502081 791166546 /nfs/dbraw/zinc/16/65/46/791166546.db2.gz NVPNNQYZHHMRQR-CYBMUJFWSA-N -1 1 343.427 2.136 20 0 EEADMM CCc1cc(C)nc(NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821500 806043817 /nfs/dbraw/zinc/04/38/17/806043817.db2.gz IGKMPOSPCWPODX-CQSZACIVSA-N -1 1 341.415 2.069 20 0 EEADMM O=C(N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-])c1ccoc1 ZINC000946361487 791369671 /nfs/dbraw/zinc/36/96/71/791369671.db2.gz NSEKGOAXPWTJNY-OCCSQVGLSA-N -1 1 343.383 2.099 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1nnc2ccccc2c1O ZINC000171760926 791465396 /nfs/dbraw/zinc/46/53/96/791465396.db2.gz APFKIUXGBKWMMQ-UHFFFAOYSA-N -1 1 343.770 2.385 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOC(C)(C)C ZINC000062294136 791532307 /nfs/dbraw/zinc/53/23/07/791532307.db2.gz ODNUPVNNKVLPTJ-UHFFFAOYSA-N -1 1 329.418 2.420 20 0 EEADMM CSc1cccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)n1 ZINC001147000685 791616853 /nfs/dbraw/zinc/61/68/53/791616853.db2.gz OAUCBSVLKVBYPM-UHFFFAOYSA-N -1 1 342.384 2.148 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1ncncc1Cl ZINC001063736966 791624295 /nfs/dbraw/zinc/62/42/95/791624295.db2.gz 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ZINC001148798767 792712612 /nfs/dbraw/zinc/71/26/12/792712612.db2.gz BWCFKMRVBYQHIM-WPRPVWTQSA-N -1 1 331.290 2.483 20 0 EEADMM O=C(NCCCc1c[nH][nH]c1=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148869241 792756615 /nfs/dbraw/zinc/75/66/15/792756615.db2.gz GPZUGUJTDCNBNT-AWEZNQCLSA-N -1 1 337.379 2.301 20 0 EEADMM C[C@@H](NC(=O)c1cc([O-])c(Br)c(O)c1)c1cnn(C)c1 ZINC001148997113 792819313 /nfs/dbraw/zinc/81/93/13/792819313.db2.gz USZDHHBREWYIMZ-SSDOTTSWSA-N -1 1 340.177 2.085 20 0 EEADMM O=C(Nc1cn(CCF)cn1)c1cc([O-])c(Br)c(O)c1 ZINC001148984703 792842768 /nfs/dbraw/zinc/84/27/68/792842768.db2.gz QUHKRFIOAVHNCN-UHFFFAOYSA-N -1 1 344.140 2.279 20 0 EEADMM Cc1cc(C)nc(N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272474 793925820 /nfs/dbraw/zinc/92/58/20/793925820.db2.gz PNSPAMVBRVMYIC-WDEREUQCSA-N -1 1 329.404 2.203 20 0 EEADMM CCc1cc(C)nc(N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089273403 793932240 /nfs/dbraw/zinc/93/22/40/793932240.db2.gz WXKJJAPQRVIFMC-NWDGAFQWSA-N -1 1 343.431 2.457 20 0 EEADMM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1cc(Cl)cnc1Cl ZINC000866975599 794006111 /nfs/dbraw/zinc/00/61/11/794006111.db2.gz XJCHYXOPFOTDNH-VIFPVBQESA-N -1 1 347.227 2.467 20 0 EEADMM O=C(CCCc1c[nH]c2ccccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913742072 794200421 /nfs/dbraw/zinc/20/04/21/794200421.db2.gz FSAUJILULCPKKG-UHFFFAOYSA-N -1 1 338.415 2.410 20 0 EEADMM C/C=C/COc1cccc(CC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913746416 794223316 /nfs/dbraw/zinc/22/33/16/794223316.db2.gz SJDFTKGMRVSNIG-NSCUHMNNSA-N -1 1 341.415 2.103 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2ccnc3ccccc32)CC1 ZINC000913746705 794224798 /nfs/dbraw/zinc/22/47/98/794224798.db2.gz FGACZECCKNYTQV-UHFFFAOYSA-N -1 1 348.410 2.186 20 0 EEADMM CC(=O)n1ncc2ccc([N-]S(=O)(=O)c3ccc(F)cc3N)cc21 ZINC001212424743 794387483 /nfs/dbraw/zinc/38/74/83/794387483.db2.gz BNYSDMHAJLPKNN-UHFFFAOYSA-N -1 1 348.359 2.219 20 0 EEADMM CCN(C(=O)C[C@H]1CCC[C@H]1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079910576 795337978 /nfs/dbraw/zinc/33/79/78/795337978.db2.gz SDSKROZNQMNFTO-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCCNc1ccnc(Cc2ccccc2)n1)c1ncccc1[O-] ZINC001093563195 795420569 /nfs/dbraw/zinc/42/05/69/795420569.db2.gz ZISDTHLLYYPLIR-UHFFFAOYSA-N -1 1 349.394 2.010 20 0 EEADMM CC1(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC000946538882 795678558 /nfs/dbraw/zinc/67/85/58/795678558.db2.gz TXXBARZZBCNLKZ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@@H](CO)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000781102019 795700518 /nfs/dbraw/zinc/70/05/18/795700518.db2.gz WHOSNOOHTPFQSF-LBPRGKRZSA-N -1 1 334.416 2.412 20 0 EEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(N)c2)ccc1C ZINC001212626679 796722764 /nfs/dbraw/zinc/72/27/64/796722764.db2.gz HRXWIKXGPJEFIC-UHFFFAOYSA-N -1 1 334.397 2.473 20 0 EEADMM CC1(C)C[C@H]([NH2+]CCOP(=O)([O-])[O-])CCN1Cc1ccccc1 ZINC001171973401 796836562 /nfs/dbraw/zinc/83/65/62/796836562.db2.gz YOKJQMUPZHZCDU-OAHLLOKOSA-N -1 1 342.376 2.129 20 0 EEADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172157513 796905276 /nfs/dbraw/zinc/90/52/76/796905276.db2.gz ABFODLADQMELJN-HIFRSBDPSA-N -1 1 326.400 2.452 20 0 EEADMM CC(=O)Nc1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1F ZINC001212702910 797214749 /nfs/dbraw/zinc/21/47/49/797214749.db2.gz WKCULRXGRHGFKE-UHFFFAOYSA-N -1 1 334.311 2.487 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1cccs1)C(=O)c1ncccc1[O-] ZINC001002101020 797563706 /nfs/dbraw/zinc/56/37/06/797563706.db2.gz OMKOLHUURTTZRL-GFCCVEGCSA-N -1 1 345.424 2.226 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(c2ccc([N-]c3nnco3)cn2)CC1 ZINC001174452435 797775544 /nfs/dbraw/zinc/77/55/44/797775544.db2.gz HBTRMFXYEKAMGJ-UHFFFAOYSA-N -1 1 346.391 2.265 20 0 EEADMM Cc1nccc(N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061074360 797938505 /nfs/dbraw/zinc/93/85/05/797938505.db2.gz GLVZWBWFRFSHQL-STQMWFEESA-N -1 1 327.388 2.039 20 0 EEADMM O=C(N[C@H]1CCC[C@H](Nc2cccc(F)n2)C1)c1ncccc1[O-] ZINC001061077149 797974496 /nfs/dbraw/zinc/97/44/96/797974496.db2.gz YMBFLMFKCKWMBU-RYUDHWBXSA-N -1 1 330.363 2.474 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CC=CCC1 ZINC001002412447 798031267 /nfs/dbraw/zinc/03/12/67/798031267.db2.gz OMBNAOLALMKZSJ-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CCC1(C)C ZINC001002413976 798033448 /nfs/dbraw/zinc/03/34/48/798033448.db2.gz ZATJHUYNUPYZAB-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CSc1nc(Nc2cccc(CN3CCOCC3)c2)cc(=O)[n-]1 ZINC001175857401 798270374 /nfs/dbraw/zinc/27/03/74/798270374.db2.gz YEHNXUHQWAMOLE-UHFFFAOYSA-N -1 1 332.429 2.480 20 0 EEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCO4)cc21 ZINC000917736643 798332944 /nfs/dbraw/zinc/33/29/44/798332944.db2.gz XDXZHRRGSBKZFM-UHFFFAOYSA-N -1 1 331.349 2.093 20 0 EEADMM Nc1ccc(-c2nc([C@H]3CC(=O)N(CC4CCC4)C3)no2)c([O-])c1 ZINC000843194060 798735606 /nfs/dbraw/zinc/73/56/06/798735606.db2.gz PKXYGCZHZNMNOC-NSHDSACASA-N -1 1 328.372 2.140 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001002960483 798927350 /nfs/dbraw/zinc/92/73/50/798927350.db2.gz BMCXSPMQTBQXFB-HUUCEWRRSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cc(NC[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001065412086 799023850 /nfs/dbraw/zinc/02/38/50/799023850.db2.gz SVRATXIKPOQRJQ-SFHVURJKSA-N -1 1 341.415 2.158 20 0 EEADMM CCc1nsc(NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001065839482 799618992 /nfs/dbraw/zinc/61/89/92/799618992.db2.gz WMKZRVHLTJKJDL-QWRGUYRKSA-N -1 1 347.444 2.021 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2cnc3n[nH]cc3c2)c(=O)[n-]1 ZINC001179052115 799752103 /nfs/dbraw/zinc/75/21/03/799752103.db2.gz ZNJCKBJQILJLGV-UHFFFAOYSA-N -1 1 344.400 2.055 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2c(C)cc(C)cc2F)co1 ZINC000786574057 806816225 /nfs/dbraw/zinc/81/62/25/806816225.db2.gz GAMIPDURSZFTFQ-UHFFFAOYSA-N -1 1 341.360 2.301 20 0 EEADMM C[C@@H](CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001066250021 800451835 /nfs/dbraw/zinc/45/18/35/800451835.db2.gz JZDFFLZIEZTGPR-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCCOc1ccc([C@H](O)C(=O)Nc2cc(=O)[n-]c(SC)n2)cc1 ZINC001180833121 800567809 /nfs/dbraw/zinc/56/78/09/800567809.db2.gz PZUSWWYEFBQTPB-AWEZNQCLSA-N -1 1 349.412 2.365 20 0 EEADMM COc1cc(F)c(CC(=O)Nc2cc(=O)[n-]c(SC)n2)c(F)c1 ZINC001181122360 800679683 /nfs/dbraw/zinc/67/96/83/800679683.db2.gz RRLVQLDSQXQOAN-UHFFFAOYSA-N -1 1 341.339 2.372 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)C(C)(C)c3c(F)cccc3F)c1-2 ZINC001181187449 800702263 /nfs/dbraw/zinc/70/22/63/800702263.db2.gz OMQNFGOMMASOPA-UHFFFAOYSA-N -1 1 331.326 2.229 20 0 EEADMM CCc1nc(CN2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])cs1 ZINC001085561814 800768481 /nfs/dbraw/zinc/76/84/81/800768481.db2.gz VQKFJDISWZSXFM-CYBMUJFWSA-N -1 1 346.456 2.153 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)[n-]1 ZINC000797201365 801282647 /nfs/dbraw/zinc/28/26/47/801282647.db2.gz ZRWOIDPHUXYDMX-LDYMZIIASA-N -1 1 335.278 2.316 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)Oc2ccc(O)cc2)n1 ZINC001183598412 801664755 /nfs/dbraw/zinc/66/47/55/801664755.db2.gz 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CCOC(=O)C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(C)=O ZINC000805482525 811312016 /nfs/dbraw/zinc/31/20/16/811312016.db2.gz IIOANSCAPKZDRZ-LLVKDONJSA-N -1 1 332.711 2.252 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)Nc1ccccc1Oc1ccccc1 ZINC000805607251 811372769 /nfs/dbraw/zinc/37/27/69/811372769.db2.gz IAJHJRSKJMCIKG-UHFFFAOYSA-N -1 1 338.323 2.393 20 0 EEADMM COCCOc1cccc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806488424 811897712 /nfs/dbraw/zinc/89/77/12/811897712.db2.gz HFENHWNHGUROTB-UHFFFAOYSA-N -1 1 341.371 2.011 20 0 EEADMM Cc1nn(C)c(C)c1CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000809202041 813015789 /nfs/dbraw/zinc/01/57/89/813015789.db2.gz XHWXRGZAEMZNBD-UHFFFAOYSA-N -1 1 342.351 2.135 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000325483176 971219913 /nfs/dbraw/zinc/21/99/13/971219913.db2.gz WNITTYIPHWXGID-CVEARBPZSA-N -1 1 330.428 2.050 20 0 EEADMM Cc1onc(CC(=O)NC(CC(C)C)CC(C)C)c1-c1nnn[n-]1 ZINC000826345782 948030200 /nfs/dbraw/zinc/03/02/00/948030200.db2.gz 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O=C([O-])[C@@]1(C(=O)NC[C@@H](c2ccco2)N2CCCC2)CC=CCC1 ZINC001594855034 954221354 /nfs/dbraw/zinc/22/13/54/954221354.db2.gz HJVCZZHZKDCJLE-KSSFIOAISA-N -1 1 332.400 2.344 20 0 EEADMM O=C([O-])C1CCC(O)(CNCc2csc(-c3ccco3)n2)CC1 ZINC001594917104 954765450 /nfs/dbraw/zinc/76/54/50/954765450.db2.gz ZLUGSKBWGPNZJC-UHFFFAOYSA-N -1 1 336.413 2.499 20 0 EEADMM CC(C)(CCNC(=O)NC[C@H]1CCN1Cc1ccccc1)C(=O)[O-] ZINC000716311885 955130207 /nfs/dbraw/zinc/13/02/07/955130207.db2.gz AMXJBUQIYXFPQE-OAHLLOKOSA-N -1 1 333.432 2.061 20 0 EEADMM COC(=O)c1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001593877062 955684666 /nfs/dbraw/zinc/68/46/66/955684666.db2.gz HTJQTGNUHOZZJI-SNVBAGLBSA-N -1 1 342.189 2.142 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCC[C@H](CC(=O)[O-])C3)nc2c1 ZINC001593886735 955758250 /nfs/dbraw/zinc/75/82/50/955758250.db2.gz LYJCYOSWAFLKPZ-LLVKDONJSA-N -1 1 331.372 2.036 20 0 EEADMM N[C@@H](CC(=O)[O-])c1noc(-c2cccc(Oc3ccncc3)c2)n1 ZINC001594661601 956540357 /nfs/dbraw/zinc/54/03/57/956540357.db2.gz 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CN(Cc1cccc(S(C)(=O)=O)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000566360748 319278742 /nfs/dbraw/zinc/27/87/42/319278742.db2.gz AGNUKLFFZJBCJE-QGZVFWFLSA-N -1 1 347.436 2.218 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cncc(F)c2)n[n-]1 ZINC000566862614 319327774 /nfs/dbraw/zinc/32/77/74/319327774.db2.gz IXIKBGUBUHBHPF-GFCCVEGCSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cncc(F)c2)[n-]1 ZINC000566862614 319327776 /nfs/dbraw/zinc/32/77/76/319327776.db2.gz IXIKBGUBUHBHPF-GFCCVEGCSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cncc(F)c2)n1 ZINC000566862614 319327778 /nfs/dbraw/zinc/32/77/78/319327778.db2.gz IXIKBGUBUHBHPF-GFCCVEGCSA-N -1 1 349.366 2.033 20 0 EEADMM CC(C)[C@]1(C(=O)[O-])CCN([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000567173388 319355328 /nfs/dbraw/zinc/35/53/28/319355328.db2.gz YGRMPIKBFPZONS-GUYCJALGSA-N -1 1 329.404 2.156 20 0 EEADMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000567349573 319372255 /nfs/dbraw/zinc/37/22/55/319372255.db2.gz VVGVSFGMEGTTAJ-GHMZBOCLSA-N -1 1 328.459 2.372 20 0 EEADMM CC(=O)N[C@@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000568515379 319495953 /nfs/dbraw/zinc/49/59/53/319495953.db2.gz PEVJCQFUTWBFSG-YFKPBYRVSA-N -1 1 335.585 2.271 20 0 EEADMM COc1cccc2c(C(=O)Nc3ccnn3C[C@@H]3CCOC3)n[nH]c21 ZINC000575787069 320114304 /nfs/dbraw/zinc/11/43/04/320114304.db2.gz CGMWXXVKVZVMJV-NSHDSACASA-N -1 1 341.371 2.057 20 0 EEADMM CO[C@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000576123699 320143649 /nfs/dbraw/zinc/14/36/49/320143649.db2.gz YDTMXDVBZKHDAD-JQWIXIFHSA-N -1 1 327.764 2.133 20 0 EEADMM CO[C@H](C)CS(=O)(=O)[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000193332038 323485619 /nfs/dbraw/zinc/48/56/19/323485619.db2.gz FCAOCWQXFASNKL-LLVKDONJSA-N -1 1 343.836 2.361 20 0 EEADMM COCCN1CCN(c2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000580079862 323989891 /nfs/dbraw/zinc/98/98/91/323989891.db2.gz GWQBHQBUFZWFFA-UHFFFAOYSA-N -1 1 329.400 2.010 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000580298064 324032672 /nfs/dbraw/zinc/03/26/72/324032672.db2.gz KFEGFWNFROLPCW-LBPRGKRZSA-N -1 1 339.260 2.446 20 0 EEADMM COc1cc(C)nc(CN2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1 ZINC000580574934 324092072 /nfs/dbraw/zinc/09/20/72/324092072.db2.gz RDVPXYAVEBWCRZ-SJORKVTESA-N -1 1 334.416 2.100 20 0 EEADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1-n1cnnn1 ZINC000326317654 465036731 /nfs/dbraw/zinc/03/67/31/465036731.db2.gz LQKHMVHVUHDBDJ-UHFFFAOYSA-N -1 1 347.375 2.219 20 0 EEADMM O=S(=O)(CCc1cscn1)c1n[n-]c(CCC2CCCC2)n1 ZINC000295995671 465045346 /nfs/dbraw/zinc/04/53/46/465045346.db2.gz SBKXIFNEXDQKEL-UHFFFAOYSA-N -1 1 340.474 2.400 20 0 EEADMM C[C@@H]1CCC[C@@]1(O)CNC(=O)c1cc(Br)ccc1[O-] ZINC000328048597 465056885 /nfs/dbraw/zinc/05/68/85/465056885.db2.gz YURZBMZWASTDIC-YMTOWFKASA-N -1 1 328.206 2.436 20 0 EEADMM C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000336894808 465087078 /nfs/dbraw/zinc/08/70/78/465087078.db2.gz MHCCLKOGSLPZFA-OTYXRUKQSA-N -1 1 328.206 2.436 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(C(N)=O)c2)c1 ZINC000339162788 465117846 /nfs/dbraw/zinc/11/78/46/465117846.db2.gz LPDKOQIAXYVUIO-UHFFFAOYSA-N -1 1 327.340 2.010 20 0 EEADMM CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339203896 465141357 /nfs/dbraw/zinc/14/13/57/465141357.db2.gz LAIDPAPOLQDOPZ-YPMHNXCESA-N -1 1 349.362 2.478 20 0 EEADMM COc1cncc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000337297750 465291305 /nfs/dbraw/zinc/29/13/05/465291305.db2.gz ORXSXORWVSWXOI-GFCCVEGCSA-N -1 1 338.351 2.490 20 0 EEADMM O=S(=O)([N-][C@H]1CCC[C@H]1OC(F)F)c1cccc(F)c1F ZINC000337323332 465305099 /nfs/dbraw/zinc/30/50/99/465305099.db2.gz AJKLCFGXGTVWRG-DTWKUNHWSA-N -1 1 327.299 2.403 20 0 EEADMM CO[C@@H]1CCCC[C@@H]1C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000496475378 468271446 /nfs/dbraw/zinc/27/14/46/468271446.db2.gz OEPDHDIOMBYONV-FRRDWIJNSA-N -1 1 330.425 2.153 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)c1 ZINC000152763132 462578071 /nfs/dbraw/zinc/57/80/71/462578071.db2.gz ACHTWLLZLZUJGH-CQSZACIVSA-N -1 1 335.381 2.340 20 0 EEADMM CCc1nc(S(=O)(=O)Cc2nc3ccccc3n2C(F)F)n[n-]1 ZINC000153129327 462618572 /nfs/dbraw/zinc/61/85/72/462618572.db2.gz YPGKYRVIPCKSGJ-UHFFFAOYSA-N -1 1 341.343 2.086 20 0 EEADMM C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000153942286 462711170 /nfs/dbraw/zinc/71/11/70/462711170.db2.gz KZLPAXYFXNGKRG-MRVPVSSYSA-N -1 1 347.341 2.237 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCCO2)o1 ZINC000065478305 462778803 /nfs/dbraw/zinc/77/88/03/462778803.db2.gz OWBPWMOYNRSLFM-LLVKDONJSA-N -1 1 345.417 2.082 20 0 EEADMM Cc1csc(CCCC[N-]S(=O)(=O)c2ncn(C)c2Cl)n1 ZINC000066106312 462853547 /nfs/dbraw/zinc/85/35/47/462853547.db2.gz UPQIEKMPFIFUAZ-UHFFFAOYSA-N -1 1 348.881 2.140 20 0 EEADMM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000132692998 462873040 /nfs/dbraw/zinc/87/30/40/462873040.db2.gz QEBKCPDNOICISG-ZIAGYGMSSA-N -1 1 343.431 2.498 20 0 EEADMM O=C(Nc1nc(SCCO)n[nH]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000155355786 462879057 /nfs/dbraw/zinc/87/90/57/462879057.db2.gz FXDPGTVDSFGTBD-DYVFJYSZSA-N -1 1 344.440 2.122 20 0 EEADMM COc1ccc(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cc1Cl ZINC000119372806 462893959 /nfs/dbraw/zinc/89/39/59/462893959.db2.gz WQDDDQSVPYFVQA-UHFFFAOYSA-N -1 1 346.774 2.266 20 0 EEADMM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000133232266 462910530 /nfs/dbraw/zinc/91/05/30/462910530.db2.gz YITRSKFXMSPHJI-SECBINFHSA-N -1 1 343.221 2.189 20 0 EEADMM CC(C)n1c(CCNC(=O)COc2ccccc2F)n[n-]c1=S ZINC000067074498 462963323 /nfs/dbraw/zinc/96/33/23/462963323.db2.gz PMWYYBIVMVGHAR-UHFFFAOYSA-N -1 1 338.408 2.398 20 0 EEADMM Cc1noc(CCCC(=O)Nc2nc(Br)ccc2[O-])n1 ZINC000156330690 463008490 /nfs/dbraw/zinc/00/84/90/463008490.db2.gz TWBRUOGMZLJJOR-UHFFFAOYSA-N -1 1 341.165 2.203 20 0 EEADMM CCC1(CO)CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000135263406 463135022 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CCC[C@H]1C[C@@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000079505603 463223101 /nfs/dbraw/zinc/22/31/01/463223101.db2.gz AYBTWQTXZYUIPG-JQWIXIFHSA-N -1 1 326.418 2.441 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000029434903 463257245 /nfs/dbraw/zinc/25/72/45/463257245.db2.gz YFZXSKTXOHOFHY-UHFFFAOYSA-N -1 1 349.412 2.060 20 0 EEADMM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000069568383 463277338 /nfs/dbraw/zinc/27/73/38/463277338.db2.gz ZZEONKYEQSCBBG-UHFFFAOYSA-N -1 1 343.358 2.417 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)o1 ZINC000030600578 463306400 /nfs/dbraw/zinc/30/64/00/463306400.db2.gz CLWDRDJRUKGOFY-OAHLLOKOSA-N -1 1 334.397 2.069 20 0 EEADMM CCC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)OC ZINC000032417820 463375835 /nfs/dbraw/zinc/37/58/35/463375835.db2.gz CDBWZSXXEFCBEV-CYBMUJFWSA-N -1 1 337.800 2.489 20 0 EEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C ZINC000032631886 463384455 /nfs/dbraw/zinc/38/44/55/463384455.db2.gz OYOAGTDOFXPQQV-UHFFFAOYSA-N -1 1 340.351 2.434 20 0 EEADMM C[C@H]1CCc2onc(C(=O)[N-]c3nnc(C4CCOCC4)s3)c2C1 ZINC000568550162 468355862 /nfs/dbraw/zinc/35/58/62/468355862.db2.gz CQDJWUVFMJAFCJ-VIFPVBQESA-N -1 1 348.428 2.797 20 0 EEADMM CCn1cc(S(=O)(=O)[N-]c2ccncc2Br)nc1C ZINC000147722242 463395797 /nfs/dbraw/zinc/39/57/97/463395797.db2.gz GPFUAYUXEBVHAP-UHFFFAOYSA-N -1 1 345.222 2.170 20 0 EEADMM CCOC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151176596 463489108 /nfs/dbraw/zinc/48/91/08/463489108.db2.gz FJOAUMKYTZONLU-UHFFFAOYSA-N -1 1 345.726 2.200 20 0 EEADMM CCc1cc(=O)[n-]c(SCC(=O)N2CCc3ccccc3C2)n1 ZINC000041626531 463498228 /nfs/dbraw/zinc/49/82/28/463498228.db2.gz ZQIRDBPZTCYJGF-UHFFFAOYSA-N -1 1 329.425 2.009 20 0 EEADMM O=C([N-]c1nncs1)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000072292166 463501108 /nfs/dbraw/zinc/50/11/08/463501108.db2.gz YEFLRDANWCCNPE-UHFFFAOYSA-N -1 1 340.290 2.390 20 0 EEADMM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3[nH]nc(C)c3C)cc2F)c1 ZINC000151415707 463527192 /nfs/dbraw/zinc/52/71/92/463527192.db2.gz REWDDZLURWKENF-UHFFFAOYSA-N -1 1 349.391 2.461 20 0 EEADMM Cc1csc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)n1 ZINC000042091411 463540368 /nfs/dbraw/zinc/54/03/68/463540368.db2.gz JCNQUHJNDWOXQU-UHFFFAOYSA-N -1 1 341.396 2.086 20 0 EEADMM CO[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000083877237 463566207 /nfs/dbraw/zinc/56/62/07/463566207.db2.gz DFYQBKHMNPGREK-WCQYABFASA-N -1 1 330.306 2.293 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)o1 ZINC000107699438 463579065 /nfs/dbraw/zinc/57/90/65/463579065.db2.gz TUHJEKJAXWRPGN-UHFFFAOYSA-N -1 1 349.817 2.302 20 0 EEADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000042666269 463586217 /nfs/dbraw/zinc/58/62/17/463586217.db2.gz SFSVKMZYHBIMKH-UHFFFAOYSA-N -1 1 343.401 2.338 20 0 EEADMM O=C(NCCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000042763876 463595383 /nfs/dbraw/zinc/59/53/83/463595383.db2.gz PVDXTXSPUVUSPT-UHFFFAOYSA-N -1 1 334.807 2.336 20 0 EEADMM 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WSHYBUMAUYEAPE-QMMMGPOBSA-N -1 1 348.182 2.151 20 0 EEADMM O=C(O[C@H]1CCOC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000730399962 577030327 /nfs/dbraw/zinc/03/03/27/577030327.db2.gz LPPMOUSAHIGXJQ-HNNXBMFYSA-N -1 1 347.392 2.433 20 0 EEADMM CCc1cc2c(COC(=O)c3cc(OC)no3)cc(=O)oc2cc1[O-] ZINC000772330595 577265411 /nfs/dbraw/zinc/26/54/11/577265411.db2.gz CVQPKHKDNQKZLD-UHFFFAOYSA-N -1 1 345.307 2.415 20 0 EEADMM O=C(CC12CC3CC(CC(C3)C1)C2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773158720 577319690 /nfs/dbraw/zinc/31/96/90/577319690.db2.gz JHBVXUSRWBQWCM-DLUQRMLASA-N -1 1 347.488 2.423 20 0 EEADMM Cc1ccn2c(=O)cc(COC(=O)c3ccc([O-])cc3F)nc2c1 ZINC000773566402 577351920 /nfs/dbraw/zinc/35/19/20/577351920.db2.gz NFTVRWWCPQBHHF-UHFFFAOYSA-N -1 1 328.299 2.205 20 0 EEADMM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773578214 577352536 /nfs/dbraw/zinc/35/25/36/577352536.db2.gz XJXVOEIKKMYKTD-LLVKDONJSA-N -1 1 347.342 2.402 20 0 EEADMM CCOc1ccc(N2C[C@H](C(=O)[N-]OC3CCCC3)CC2=O)cc1 ZINC000774874672 577421620 /nfs/dbraw/zinc/42/16/20/577421620.db2.gz FWADHRXLCPZISA-CYBMUJFWSA-N -1 1 332.400 2.429 20 0 EEADMM CCCc1ccc(N)c(C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774922310 577423324 /nfs/dbraw/zinc/42/33/24/577423324.db2.gz SPUHHPXXZUTGLQ-UHFFFAOYSA-N -1 1 332.322 2.447 20 0 EEADMM COCCN(CCC(=O)OC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776480414 577460506 /nfs/dbraw/zinc/46/05/06/577460506.db2.gz UKBFNPPPXOUWFQ-UHFFFAOYSA-N -1 1 349.305 2.063 20 0 EEADMM C[C@@H](CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cccc(F)c1 ZINC000776564565 577462503 /nfs/dbraw/zinc/46/25/03/577462503.db2.gz NKPNOCQGHJDXOO-GWCFXTLKSA-N -1 1 335.408 2.149 20 0 EEADMM O=C([O-])c1ccccc1CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000777359672 577477110 /nfs/dbraw/zinc/47/71/10/577477110.db2.gz IASDPUYTCTYVKZ-UHFFFAOYSA-N -1 1 336.351 2.029 20 0 EEADMM O=C([O-])c1ccccc1CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000777359672 577477111 /nfs/dbraw/zinc/47/71/11/577477111.db2.gz IASDPUYTCTYVKZ-UHFFFAOYSA-N -1 1 336.351 2.029 20 0 EEADMM COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000768266917 577553025 /nfs/dbraw/zinc/55/30/25/577553025.db2.gz YISRBNBQEXKIDZ-MRXNPFEDSA-N -1 1 335.331 2.012 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000768272534 577553099 /nfs/dbraw/zinc/55/30/99/577553099.db2.gz UFENWWPFKQDMQS-CRAIPNDOSA-N -1 1 345.370 2.496 20 0 EEADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1c([O-])cccc1Cl ZINC000769755636 577583612 /nfs/dbraw/zinc/58/36/12/577583612.db2.gz ZTSZQMHSABUDKU-JTQLQIEISA-N -1 1 328.821 2.039 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000769765722 577583955 /nfs/dbraw/zinc/58/39/55/577583955.db2.gz WUKVZHUPTWQKOM-CYBMUJFWSA-N -1 1 343.431 2.367 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N(CCO)CCOCC(F)(F)F ZINC000770048198 577589636 /nfs/dbraw/zinc/58/96/36/577589636.db2.gz BOZSKADGKWPTEC-UHFFFAOYSA-N -1 1 341.713 2.059 20 0 EEADMM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000758171502 577617553 /nfs/dbraw/zinc/61/75/53/577617553.db2.gz UKKRDLACJCZHOD-UHFFFAOYSA-N -1 1 349.364 2.281 20 0 EEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1[nH]nc(C2CC2)c1C ZINC000760319158 577660618 /nfs/dbraw/zinc/66/06/18/577660618.db2.gz GIBOKYQMGYRGIM-UHFFFAOYSA-N -1 1 349.412 2.491 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(C)(C)C ZINC000750858279 577743814 /nfs/dbraw/zinc/74/38/14/577743814.db2.gz SKMNPKYFJBTBLU-MRXNPFEDSA-N -1 1 343.427 2.139 20 0 EEADMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000751446871 577752901 /nfs/dbraw/zinc/75/29/01/577752901.db2.gz NDNAOTHKPAXKJS-NSHDSACASA-N -1 1 335.303 2.017 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H](C)c2ccccc2)cc1 ZINC000751985146 577763942 /nfs/dbraw/zinc/76/39/42/577763942.db2.gz JXIAYKLLMYAIBL-CYBMUJFWSA-N -1 1 341.363 2.299 20 0 EEADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000754647052 577810086 /nfs/dbraw/zinc/81/00/86/577810086.db2.gz UJITXQKMZYMHRR-IPYPFGDCSA-N -1 1 341.415 2.089 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nnc2n1CCC2 ZINC000756941058 577853570 /nfs/dbraw/zinc/85/35/70/577853570.db2.gz UPXZPWNJMXSHAU-QMMMGPOBSA-N -1 1 342.296 2.472 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc3nnc(C)n3c2)c1 ZINC000744905443 577905104 /nfs/dbraw/zinc/90/51/04/577905104.db2.gz YTCNBEOEOGDFNU-UHFFFAOYSA-N -1 1 339.351 2.345 20 0 EEADMM COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000748024165 577953799 /nfs/dbraw/zinc/95/37/99/577953799.db2.gz JPMRQXVMOMYINQ-OAHLLOKOSA-N -1 1 335.331 2.012 20 0 EEADMM Cc1nn(C)c2nc(C)c(CC(=O)[N-]O[C@H]3CCCCO3)c(C)c12 ZINC000749616203 577979125 /nfs/dbraw/zinc/97/91/25/577979125.db2.gz BBGBMFVKKYRESN-HNNXBMFYSA-N -1 1 332.404 2.010 20 0 EEADMM Cc1ccc2c([n-]cc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2=O)[nH+]1 ZINC000738666044 578023296 /nfs/dbraw/zinc/02/32/96/578023296.db2.gz QUICNSLQSSTYDF-UHFFFAOYSA-N -1 1 349.346 2.498 20 0 EEADMM Cc1noc2ncc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])cc12 ZINC000738747274 578025580 /nfs/dbraw/zinc/02/55/80/578025580.db2.gz RGMTYCXJSURMOW-UHFFFAOYSA-N -1 1 347.352 2.339 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)CC2 ZINC000739279163 578046642 /nfs/dbraw/zinc/04/66/42/578046642.db2.gz VVWNEYOTLRYDNW-WMZOPIPTSA-N -1 1 342.439 2.441 20 0 EEADMM O=C([O-])COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000739818893 578068888 /nfs/dbraw/zinc/06/88/88/578068888.db2.gz HLEHEEROORUMSE-AWEZNQCLSA-N -1 1 331.290 2.069 20 0 EEADMM O=C([O-])Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cn1 ZINC000739900648 578072420 /nfs/dbraw/zinc/07/24/20/578072420.db2.gz VFOCBDUMNRQNOU-UHFFFAOYSA-N -1 1 345.746 2.264 20 0 EEADMM O=C([O-])c1cccc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000740214954 578085991 /nfs/dbraw/zinc/08/59/91/578085991.db2.gz BEQNMDIEBPZAJC-AWEZNQCLSA-N -1 1 326.352 2.211 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000740231174 578086538 /nfs/dbraw/zinc/08/65/38/578086538.db2.gz HKWRXXSJKCAQDM-OLZOCXBDSA-N -1 1 333.306 2.151 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccncc3)n2)cnc1Cl ZINC000735267879 578141272 /nfs/dbraw/zinc/14/12/72/578141272.db2.gz LAXHFCYSSZICII-UHFFFAOYSA-N -1 1 349.803 2.425 20 0 EEADMM CC(C)N(C)c1cccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000735859629 578170556 /nfs/dbraw/zinc/17/05/56/578170556.db2.gz YTDJBIPRGNRDDL-UHFFFAOYSA-N -1 1 343.435 2.456 20 0 EEADMM C[C@](O)(CNc1snc(Cl)c1-c1nnn[n-]1)c1cccs1 ZINC000736140777 578182986 /nfs/dbraw/zinc/18/29/86/578182986.db2.gz BUVGROJSUDANNT-NSHDSACASA-N -1 1 342.837 2.358 20 0 EEADMM C[C@](O)(CNc1snc(Cl)c1-c1nn[n-]n1)c1cccs1 ZINC000736140777 578182987 /nfs/dbraw/zinc/18/29/87/578182987.db2.gz BUVGROJSUDANNT-NSHDSACASA-N -1 1 342.837 2.358 20 0 EEADMM CC[C@@H](C)CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736323099 578195752 /nfs/dbraw/zinc/19/57/52/578195752.db2.gz UCRFNGAPUNKSAH-SNVBAGLBSA-N -1 1 346.435 2.021 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736413057 578202431 /nfs/dbraw/zinc/20/24/31/578202431.db2.gz RFAGISYRDFBAKH-DLBZAZTESA-N -1 1 332.444 2.167 20 0 EEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000736506372 578209346 /nfs/dbraw/zinc/20/93/46/578209346.db2.gz VZHDVXIFZIRUAS-UHFFFAOYSA-N -1 1 330.298 2.207 20 0 EEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000736506372 578209347 /nfs/dbraw/zinc/20/93/47/578209347.db2.gz VZHDVXIFZIRUAS-UHFFFAOYSA-N -1 1 330.298 2.207 20 0 EEADMM CN(C)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC000736762989 578222448 /nfs/dbraw/zinc/22/24/48/578222448.db2.gz ZDAAWEMRQDLPKE-ZDUSSCGKSA-N -1 1 345.357 2.255 20 0 EEADMM C[C@@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000736795183 578224072 /nfs/dbraw/zinc/22/40/72/578224072.db2.gz SVTWVBZZUVIUPS-QLFBSQMISA-N -1 1 337.464 2.003 20 0 EEADMM CN(CCc1ccccn1)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736807946 578224953 /nfs/dbraw/zinc/22/49/53/578224953.db2.gz YMRGTMZGXDYMEW-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CN(CCc1ccccn1)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736807946 578224954 /nfs/dbraw/zinc/22/49/54/578224954.db2.gz YMRGTMZGXDYMEW-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(n2c(C)ccc2C)CC1)C(=O)[O-] ZINC000736880810 578228267 /nfs/dbraw/zinc/22/82/67/578228267.db2.gz ZJCFBUYNDLUDDQ-UGSOOPFHSA-N -1 1 349.475 2.357 20 0 EEADMM COC(=O)C1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736910955 578228883 /nfs/dbraw/zinc/22/88/83/578228883.db2.gz QZPAFASZDDROLT-UHFFFAOYSA-N -1 1 342.812 2.120 20 0 EEADMM COC(=O)C1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736910955 578228884 /nfs/dbraw/zinc/22/88/84/578228884.db2.gz QZPAFASZDDROLT-UHFFFAOYSA-N -1 1 342.812 2.120 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccnc12 ZINC000737103924 578238185 /nfs/dbraw/zinc/23/81/85/578238185.db2.gz LGNAKKUFBUDGLE-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccnc12 ZINC000737103924 578238186 /nfs/dbraw/zinc/23/81/86/578238186.db2.gz LGNAKKUFBUDGLE-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM CCN1CCN(c2ccccc2NC(=O)CCCN(C)C(=O)[O-])CC1 ZINC000737121565 578239559 /nfs/dbraw/zinc/23/95/59/578239559.db2.gz CTFHKCJIYDNOTJ-UHFFFAOYSA-N -1 1 348.447 2.157 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737320106 578250192 /nfs/dbraw/zinc/25/01/92/578250192.db2.gz NPWDDDUMBZKHED-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737320106 578250193 /nfs/dbraw/zinc/25/01/93/578250193.db2.gz NPWDDDUMBZKHED-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000737400289 578255125 /nfs/dbraw/zinc/25/51/25/578255125.db2.gz SKMQMGDCJYSFKK-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM CN(CC(=O)[O-])C(=O)CCN(Cc1ccco1)Cc1ccccc1 ZINC000737402568 578255499 /nfs/dbraw/zinc/25/54/99/578255499.db2.gz LEQHMPTZWWYTIB-UHFFFAOYSA-N -1 1 330.384 2.215 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000737548827 578263444 /nfs/dbraw/zinc/26/34/44/578263444.db2.gz SESKZXMSNIUCNQ-NEPJUHHUSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000737548827 578263445 /nfs/dbraw/zinc/26/34/45/578263445.db2.gz SESKZXMSNIUCNQ-NEPJUHHUSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1nc(C)c(CNc2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000822431810 599044502 /nfs/dbraw/zinc/04/45/02/599044502.db2.gz KQYOYXQCTYDHOU-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1nc(C)c(CNc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000822431810 599044504 /nfs/dbraw/zinc/04/45/04/599044504.db2.gz KQYOYXQCTYDHOU-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000822242335 599060666 /nfs/dbraw/zinc/06/06/66/599060666.db2.gz IQNMNGYTZHMHCI-HNNXBMFYSA-N -1 1 349.398 2.178 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2=O)cc1 ZINC000822242335 599060670 /nfs/dbraw/zinc/06/06/70/599060670.db2.gz IQNMNGYTZHMHCI-HNNXBMFYSA-N -1 1 349.398 2.178 20 0 EEADMM O=C([O-])Cc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000324547517 597339261 /nfs/dbraw/zinc/33/92/61/597339261.db2.gz UZAAWNYMIYEWAQ-UHFFFAOYSA-N -1 1 331.416 2.406 20 0 EEADMM C[S@](=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821941784 607317940 /nfs/dbraw/zinc/31/79/40/607317940.db2.gz JKNRXTGPPURRLW-QFIPXVFZSA-N -1 1 333.442 2.419 20 0 EEADMM CCC(CC)n1nccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820902231 607323922 /nfs/dbraw/zinc/32/39/22/607323922.db2.gz ITVHXTXWTXYNGX-UHFFFAOYSA-N -1 1 341.375 2.382 20 0 EEADMM O[C@H](CN(c1cccc(-c2nnn[n-]2)n1)C1CC1)c1ccc(F)cc1 ZINC000823673354 607329018 /nfs/dbraw/zinc/32/90/18/607329018.db2.gz LFNCANWZNJZCRT-OAHLLOKOSA-N -1 1 340.362 2.103 20 0 EEADMM O[C@H](CN(c1cccc(-c2nn[n-]n2)n1)C1CC1)c1ccc(F)cc1 ZINC000823673354 607329019 /nfs/dbraw/zinc/32/90/19/607329019.db2.gz LFNCANWZNJZCRT-OAHLLOKOSA-N -1 1 340.362 2.103 20 0 EEADMM C[C@H](N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C(=O)[O-] ZINC000820136294 598195857 /nfs/dbraw/zinc/19/58/57/598195857.db2.gz OXAUWEANCVLTDR-GWCFXTLKSA-N -1 1 344.333 2.259 20 0 EEADMM O=C(NCCc1cc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823219773 607350105 /nfs/dbraw/zinc/35/01/05/607350105.db2.gz QBZQNVDWWXYOSI-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C(NCCc1cc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)s1 ZINC000823219773 607350107 /nfs/dbraw/zinc/35/01/07/607350107.db2.gz QBZQNVDWWXYOSI-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C1OCCN1Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823551566 599413273 /nfs/dbraw/zinc/41/32/73/599413273.db2.gz VRUBXSULEVIHDU-UHFFFAOYSA-N -1 1 340.343 2.024 20 0 EEADMM O=C1OCCN1Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823551566 599413275 /nfs/dbraw/zinc/41/32/75/599413275.db2.gz VRUBXSULEVIHDU-UHFFFAOYSA-N -1 1 340.343 2.024 20 0 EEADMM CC(C)CCc1noc(CN(CCC(=O)[O-])C2CCOCC2)n1 ZINC000826865369 600857438 /nfs/dbraw/zinc/85/74/38/600857438.db2.gz NFAULNFZLYLIDQ-UHFFFAOYSA-N -1 1 325.409 2.114 20 0 EEADMM CCN(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1nc2ccccc2s1 ZINC000829597547 601038859 /nfs/dbraw/zinc/03/88/59/601038859.db2.gz PFNSTWGFKUNTPE-KRWDZBQOSA-N -1 1 347.440 2.492 20 0 EEADMM Cc1cccc(OCCC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C ZINC000832972082 601098796 /nfs/dbraw/zinc/09/87/96/601098796.db2.gz IUKUJISJPDFDSO-OAHLLOKOSA-N -1 1 348.443 2.080 20 0 EEADMM C[C@H]1c2ccccc2CN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000828528189 601117137 /nfs/dbraw/zinc/11/71/37/601117137.db2.gz RUXSMQDDQSRFLG-PFSWGADMSA-N -1 1 332.425 2.455 20 0 EEADMM CCN(CC)c1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000829684409 601122721 /nfs/dbraw/zinc/12/27/21/601122721.db2.gz XWAIHMSYUIXSMP-OAHLLOKOSA-N -1 1 347.459 2.154 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000827368706 601123370 /nfs/dbraw/zinc/12/33/70/601123370.db2.gz HYLBXYREAHVFMP-SECBINFHSA-N -1 1 345.321 2.117 20 0 EEADMM Cc1ccc(SCCNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832957515 601174888 /nfs/dbraw/zinc/17/48/88/601174888.db2.gz KYOWAFCOWONIJM-KRWDZBQOSA-N -1 1 336.457 2.046 20 0 EEADMM CN(C)[C@@H](CNC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830584935 601338846 /nfs/dbraw/zinc/33/88/46/601338846.db2.gz HTZZQZBJQNDFTJ-ZDUSSCGKSA-N -1 1 343.880 2.272 20 0 EEADMM CN(C)Cc1ccsc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000830623771 601559231 /nfs/dbraw/zinc/55/92/31/601559231.db2.gz JJQWLKDGEKAGBA-AWEZNQCLSA-N -1 1 332.425 2.408 20 0 EEADMM O=C([O-])[C@@]1(NC(=O)[C@H]2CCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128216 601734807 /nfs/dbraw/zinc/73/48/07/601734807.db2.gz BHIXITBIWRDCPU-CRAIPNDOSA-N -1 1 348.468 2.118 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C2CC2)cc1 ZINC000832244328 601874582 /nfs/dbraw/zinc/87/45/82/601874582.db2.gz CMKBRAMZWSEKBR-SJORKVTESA-N -1 1 348.443 2.351 20 0 EEADMM CN(C)C1(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CCC1 ZINC000830585117 601934837 /nfs/dbraw/zinc/93/48/37/601934837.db2.gz PPDCCRQOIKKZAR-UHFFFAOYSA-N -1 1 334.401 2.259 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832368262 601952056 /nfs/dbraw/zinc/95/20/56/601952056.db2.gz YKSYFUVQQLOWOU-QLJPJBMISA-N -1 1 340.807 2.472 20 0 EEADMM FC1(F)Oc2ccc(NCc3ccnc(-c4nnn[n-]4)c3)cc2O1 ZINC000826370089 607547993 /nfs/dbraw/zinc/54/79/93/607547993.db2.gz DDNGOIMLVVBHAX-UHFFFAOYSA-N -1 1 332.270 2.195 20 0 EEADMM FC1(F)Oc2ccc(NCc3ccnc(-c4nn[n-]n4)c3)cc2O1 ZINC000826370089 607547994 /nfs/dbraw/zinc/54/79/94/607547994.db2.gz DDNGOIMLVVBHAX-UHFFFAOYSA-N -1 1 332.270 2.195 20 0 EEADMM CCO[C@H](C)c1nc(CNC2(CC(=O)[O-])CCOCC2)cs1 ZINC000829901246 602256286 /nfs/dbraw/zinc/25/62/86/602256286.db2.gz KMKKDQKZLKLHDD-LLVKDONJSA-N -1 1 328.434 2.354 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000833257056 604319247 /nfs/dbraw/zinc/31/92/47/604319247.db2.gz LXNYCAWJTFNLBA-ZDUSSCGKSA-N -1 1 330.344 2.072 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1Cl ZINC000388127847 604337930 /nfs/dbraw/zinc/33/79/30/604337930.db2.gz DODGTSOUTRBLCP-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc2c1OCO2 ZINC000392801154 604465568 /nfs/dbraw/zinc/46/55/68/604465568.db2.gz WSMPLPPRBDQVKE-HNNXBMFYSA-N -1 1 341.363 2.435 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)Nc2cc(C(=O)[O-])cs2)C[C@@H](C)O1 ZINC000828448522 604521141 /nfs/dbraw/zinc/52/11/41/604521141.db2.gz CZCKSMIHCTZCQY-GHMZBOCLSA-N -1 1 341.433 2.067 20 0 EEADMM CC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2cccnc2)c2ccccc21 ZINC000833394349 604631931 /nfs/dbraw/zinc/63/19/31/604631931.db2.gz QLSKNONYDGBBJL-DOTOQJQBSA-N -1 1 325.368 2.295 20 0 EEADMM CC(C)CN1CCO[C@@H](COC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833487232 604780737 /nfs/dbraw/zinc/78/07/37/604780737.db2.gz HGTKAVHFFLSIIH-MRXNPFEDSA-N -1 1 349.427 2.217 20 0 EEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)NCCCCC(=O)[O-])CC1 ZINC000820199732 604932116 /nfs/dbraw/zinc/93/21/16/604932116.db2.gz FKVTUSWZKALPDS-CQSZACIVSA-N -1 1 348.447 2.161 20 0 EEADMM O=C([O-])[C@@H](Nc1ccc(CCN2CCOCC2)cc1)c1cccnc1 ZINC000833169091 604995858 /nfs/dbraw/zinc/99/58/58/604995858.db2.gz CDSWOAOBJNQYBW-SFHVURJKSA-N -1 1 341.411 2.194 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(Cl)cc1 ZINC000833626786 605048367 /nfs/dbraw/zinc/04/83/67/605048367.db2.gz RFSHKRFJYOCJSA-LBPRGKRZSA-N -1 1 339.823 2.030 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2cncc(C(=O)[O-])c2)N2CCCC2)o1 ZINC000833748516 605109244 /nfs/dbraw/zinc/10/92/44/605109244.db2.gz BSXPZZUIRICACX-HNNXBMFYSA-N -1 1 343.383 2.248 20 0 EEADMM O[C@@]1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC000826506352 607739268 /nfs/dbraw/zinc/73/92/68/607739268.db2.gz SLXAWLWHCNDIKS-MRXNPFEDSA-N -1 1 342.790 2.161 20 0 EEADMM O[C@@]1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC000826506352 607739269 /nfs/dbraw/zinc/73/92/69/607739269.db2.gz SLXAWLWHCNDIKS-MRXNPFEDSA-N -1 1 342.790 2.161 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833637457 605292367 /nfs/dbraw/zinc/29/23/67/605292367.db2.gz DTJGHKGOONIBKY-WMFXKJRFSA-N -1 1 328.359 2.231 20 0 EEADMM C/C(=C\c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833382813 605470099 /nfs/dbraw/zinc/47/00/99/605470099.db2.gz HAWYLMASPAKVAA-ASNKMWSDSA-N -1 1 330.428 2.406 20 0 EEADMM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nnc[nH]1 ZINC000833522295 605510374 /nfs/dbraw/zinc/51/03/74/605510374.db2.gz ISJJNCBVICBYQD-ZYHUDNBSSA-N -1 1 331.376 2.017 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C1CCC1 ZINC000822009682 606156782 /nfs/dbraw/zinc/15/67/82/606156782.db2.gz AZTBJMIOYSADTF-NSHDSACASA-N -1 1 345.403 2.249 20 0 EEADMM Fc1ccc(OC2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000822783117 606220278 /nfs/dbraw/zinc/22/02/78/606220278.db2.gz VSLMGFQVGIGWNZ-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1ccc(OC2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822783117 606220279 /nfs/dbraw/zinc/22/02/79/606220279.db2.gz VSLMGFQVGIGWNZ-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM COc1ccccc1C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821891119 606400885 /nfs/dbraw/zinc/40/08/85/606400885.db2.gz VVNFTUQWZGHHII-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM COc1ccccc1C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821891119 606400886 /nfs/dbraw/zinc/40/08/86/606400886.db2.gz VVNFTUQWZGHHII-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821319557 606470682 /nfs/dbraw/zinc/47/06/82/606470682.db2.gz DPKKTEUNTGFKOL-MRVPVSSYSA-N -1 1 327.797 2.349 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821319557 606470684 /nfs/dbraw/zinc/47/06/84/606470684.db2.gz DPKKTEUNTGFKOL-MRVPVSSYSA-N -1 1 327.797 2.349 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2cn[nH]c2)nc1-c1nnn[n-]1 ZINC000822578581 606481046 /nfs/dbraw/zinc/48/10/46/606481046.db2.gz KXJRAOQFEBMNFV-NSHDSACASA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2cn[nH]c2)nc1-c1nn[n-]n1 ZINC000822578581 606481047 /nfs/dbraw/zinc/48/10/47/606481047.db2.gz KXJRAOQFEBMNFV-NSHDSACASA-N -1 1 330.783 2.370 20 0 EEADMM COc1ccc(C)cc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782872 606497087 /nfs/dbraw/zinc/49/70/87/606497087.db2.gz QMMCUPLNWLYECD-UHFFFAOYSA-N -1 1 343.412 2.218 20 0 EEADMM COc1ccc(C)cc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782872 606497089 /nfs/dbraw/zinc/49/70/89/606497089.db2.gz QMMCUPLNWLYECD-UHFFFAOYSA-N -1 1 343.412 2.218 20 0 EEADMM CC(C)Oc1ncccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820178216 606513271 /nfs/dbraw/zinc/51/32/71/606513271.db2.gz LFRUAYBTKHCULM-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)Oc1ncccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820178216 606513272 /nfs/dbraw/zinc/51/32/72/606513272.db2.gz LFRUAYBTKHCULM-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC000822714767 606595549 /nfs/dbraw/zinc/59/55/49/606595549.db2.gz UCEFBMXZCMXXCQ-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC000822714767 606595551 /nfs/dbraw/zinc/59/55/51/606595551.db2.gz UCEFBMXZCMXXCQ-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM Clc1nsc(N2CCO[C@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000822590039 606633645 /nfs/dbraw/zinc/63/36/45/606633645.db2.gz GLYRQTSMONUZCZ-QMMMGPOBSA-N -1 1 338.780 2.148 20 0 EEADMM Clc1nsc(N2CCO[C@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000822590039 606633646 /nfs/dbraw/zinc/63/36/46/606633646.db2.gz GLYRQTSMONUZCZ-QMMMGPOBSA-N -1 1 338.780 2.148 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(s1)CCC2 ZINC000823436006 606653001 /nfs/dbraw/zinc/65/30/01/606653001.db2.gz DLPMIAQMZOBJIK-UHFFFAOYSA-N -1 1 327.369 2.169 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(s1)CCC2 ZINC000823436006 606653002 /nfs/dbraw/zinc/65/30/02/606653002.db2.gz DLPMIAQMZOBJIK-UHFFFAOYSA-N -1 1 327.369 2.169 20 0 EEADMM Cc1cccc(C(C)C)c1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000822288575 606654943 /nfs/dbraw/zinc/65/49/43/606654943.db2.gz CFQVSUZZMUXTQR-UHFFFAOYSA-N -1 1 325.376 2.134 20 0 EEADMM Cc1cccc(C(C)C)c1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000822288575 606654944 /nfs/dbraw/zinc/65/49/44/606654944.db2.gz CFQVSUZZMUXTQR-UHFFFAOYSA-N -1 1 325.376 2.134 20 0 EEADMM c1cc(NCCCc2ccc3c(c2)OCCO3)nc(-c2nnn[n-]2)c1 ZINC000823757019 606948628 /nfs/dbraw/zinc/94/86/28/606948628.db2.gz JMOFGBSUGPDSTO-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1cc(NCCCc2ccc3c(c2)OCCO3)nc(-c2nn[n-]n2)c1 ZINC000823757019 606948629 /nfs/dbraw/zinc/94/86/29/606948629.db2.gz JMOFGBSUGPDSTO-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc2ccccc2nc1Cl ZINC000823656830 607159626 /nfs/dbraw/zinc/15/96/26/607159626.db2.gz KDYABULPFKCGGU-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=C([N-]CCCSc1cccc(-c2nn[nH]n2)c1)C(F)(F)F ZINC000823198039 607234558 /nfs/dbraw/zinc/23/45/58/607234558.db2.gz XKZFRKCSQXKNBX-UHFFFAOYSA-N -1 1 331.323 2.027 20 0 EEADMM COCC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826154257 607836727 /nfs/dbraw/zinc/83/67/27/607836727.db2.gz LIVCDEHLYIGWEA-SNVBAGLBSA-N -1 1 345.359 2.141 20 0 EEADMM COCC[C@@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826154257 607836728 /nfs/dbraw/zinc/83/67/28/607836728.db2.gz LIVCDEHLYIGWEA-SNVBAGLBSA-N -1 1 345.359 2.141 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825759660 607850523 /nfs/dbraw/zinc/85/05/23/607850523.db2.gz MLIIISORDSOBPE-UHFFFAOYSA-N -1 1 346.826 2.386 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825759660 607850524 /nfs/dbraw/zinc/85/05/24/607850524.db2.gz MLIIISORDSOBPE-UHFFFAOYSA-N -1 1 346.826 2.386 20 0 EEADMM c1nc2ccccc2n1C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826514160 607905593 /nfs/dbraw/zinc/90/55/93/607905593.db2.gz JDFPQUOELXDORV-ZDUSSCGKSA-N -1 1 346.398 2.280 20 0 EEADMM c1nc2ccccc2n1C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826514160 607905594 /nfs/dbraw/zinc/90/55/94/607905594.db2.gz JDFPQUOELXDORV-ZDUSSCGKSA-N -1 1 346.398 2.280 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826211511 608168355 /nfs/dbraw/zinc/16/83/55/608168355.db2.gz HWZLVYDLHDVGMZ-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826211511 608168356 /nfs/dbraw/zinc/16/83/56/608168356.db2.gz HWZLVYDLHDVGMZ-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM COCCN(c1snc(Cl)c1-c1nn[n-]n1)C1CCCC1 ZINC000826159928 608180597 /nfs/dbraw/zinc/18/05/97/608180597.db2.gz XYAAPZNDMZOXKE-UHFFFAOYSA-N -1 1 328.829 2.372 20 0 EEADMM COCCN(c1snc(Cl)c1-c1nnn[n-]1)C1CCCC1 ZINC000826159928 608180595 /nfs/dbraw/zinc/18/05/95/608180595.db2.gz XYAAPZNDMZOXKE-UHFFFAOYSA-N -1 1 328.829 2.372 20 0 EEADMM CCOC(=O)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC000825553891 608190562 /nfs/dbraw/zinc/19/05/62/608190562.db2.gz YHTKEUCEDXQYRT-SSDOTTSWSA-N -1 1 344.828 2.366 20 0 EEADMM CCOC(=O)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC000825553891 608190564 /nfs/dbraw/zinc/19/05/64/608190564.db2.gz YHTKEUCEDXQYRT-SSDOTTSWSA-N -1 1 344.828 2.366 20 0 EEADMM COCCN(Cc1ccco1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826159765 608190655 /nfs/dbraw/zinc/19/06/55/608190655.db2.gz QRECALHQUMLVAS-UHFFFAOYSA-N -1 1 340.796 2.223 20 0 EEADMM COCCN(Cc1ccco1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826159765 608190657 /nfs/dbraw/zinc/19/06/57/608190657.db2.gz QRECALHQUMLVAS-UHFFFAOYSA-N -1 1 340.796 2.223 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521086 608405909 /nfs/dbraw/zinc/40/59/09/608405909.db2.gz ZGYGHOLZXAVSJM-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521086 608405910 /nfs/dbraw/zinc/40/59/10/608405910.db2.gz ZGYGHOLZXAVSJM-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM FC(F)(F)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826367310 608433267 /nfs/dbraw/zinc/43/32/67/608433267.db2.gz UGEGKEXGIPDPMM-LLVKDONJSA-N -1 1 335.293 2.242 20 0 EEADMM FC(F)(F)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826367310 608433268 /nfs/dbraw/zinc/43/32/68/608433268.db2.gz UGEGKEXGIPDPMM-LLVKDONJSA-N -1 1 335.293 2.242 20 0 EEADMM Fc1cccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccn2)c1 ZINC000826376753 608441524 /nfs/dbraw/zinc/44/15/24/608441524.db2.gz QMGDWGDTUGDSSO-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccn2)c1 ZINC000826376753 608441525 /nfs/dbraw/zinc/44/15/25/608441525.db2.gz QMGDWGDTUGDSSO-INIZCTEOSA-N -1 1 348.345 2.392 20 0 EEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nccn1Cc1ccccc1 ZINC000825961371 608694259 /nfs/dbraw/zinc/69/42/59/608694259.db2.gz DOBXZMPPNCQCPF-UHFFFAOYSA-N -1 1 349.398 2.337 20 0 EEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nccn1Cc1ccccc1 ZINC000825961371 608694263 /nfs/dbraw/zinc/69/42/63/608694263.db2.gz DOBXZMPPNCQCPF-UHFFFAOYSA-N -1 1 349.398 2.337 20 0 EEADMM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824092972 608737825 /nfs/dbraw/zinc/73/78/25/608737825.db2.gz CNZGLBJRBVPRPM-GFCCVEGCSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)(C)OC(=O)[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824092972 608737829 /nfs/dbraw/zinc/73/78/29/608737829.db2.gz CNZGLBJRBVPRPM-GFCCVEGCSA-N -1 1 333.392 2.156 20 0 EEADMM O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826506398 608851746 /nfs/dbraw/zinc/85/17/46/608851746.db2.gz UDEINQZQAGHYTD-QMTHXVAHSA-N -1 1 347.325 2.046 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1C ZINC000825712382 609470364 /nfs/dbraw/zinc/47/03/64/609470364.db2.gz PVOXOYOQQDSBOZ-UHFFFAOYSA-N -1 1 326.360 2.215 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1C ZINC000825712382 609470366 /nfs/dbraw/zinc/47/03/66/609470366.db2.gz PVOXOYOQQDSBOZ-UHFFFAOYSA-N -1 1 326.360 2.215 20 0 EEADMM COc1ccc(N(C#N)Cc2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC000826209127 609524573 /nfs/dbraw/zinc/52/45/73/609524573.db2.gz NVQMETAQONTEKR-UHFFFAOYSA-N -1 1 341.762 2.411 20 0 EEADMM COc1ccc(N(C#N)Cc2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC000826209127 609524574 /nfs/dbraw/zinc/52/45/74/609524574.db2.gz NVQMETAQONTEKR-UHFFFAOYSA-N -1 1 341.762 2.411 20 0 EEADMM CCCCO[C@H](C)C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000065618074 674902040 /nfs/dbraw/zinc/90/20/40/674902040.db2.gz ZFBZIWNUZXWWPP-GFCCVEGCSA-N -1 1 330.388 2.043 20 0 EEADMM C[C@H]1CN(C(=O)C=C2CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020725288 675449666 /nfs/dbraw/zinc/44/96/66/675449666.db2.gz XYNBJTDDDALRBC-ZFWWWQNUSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@H]1CN(C(=O)C=C2CCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020725285 675449690 /nfs/dbraw/zinc/44/96/90/675449690.db2.gz XYNBJTDDDALRBC-DZGCQCFKSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C1=CCCC1 ZINC001020734905 675460511 /nfs/dbraw/zinc/46/05/11/675460511.db2.gz FEXJWRKCSISZAZ-HIFRSBDPSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ncccc1Br ZINC000891616791 676724495 /nfs/dbraw/zinc/72/44/95/676724495.db2.gz AFAYUJPXJOFOBV-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623964 676733497 /nfs/dbraw/zinc/73/34/97/676733497.db2.gz MGIYHYIOFBXQKY-VIFPVBQESA-N -1 1 329.404 2.154 20 0 EEADMM COc1ccc(OC)c(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891627798 676736369 /nfs/dbraw/zinc/73/63/69/676736369.db2.gz NHTDSSVIYBUESW-UHFFFAOYSA-N -1 1 343.383 2.259 20 0 EEADMM COc1ccccc1OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891631179 676737925 /nfs/dbraw/zinc/73/79/25/676737925.db2.gz NABAZZNOSXRXNF-UHFFFAOYSA-N -1 1 329.356 2.087 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)cn1 ZINC000947229526 677812081 /nfs/dbraw/zinc/81/20/81/677812081.db2.gz CEFWWDNCYPAORZ-OCCSQVGLSA-N -1 1 344.390 2.104 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1[O-] ZINC001023313711 679246799 /nfs/dbraw/zinc/24/67/99/679246799.db2.gz ALROGIWIYZNKDP-AWEZNQCLSA-N -1 1 346.406 2.205 20 0 EEADMM O=C(CCC1CCC1)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937322664 681269278 /nfs/dbraw/zinc/26/92/78/681269278.db2.gz AZUOTQSMUVIDIT-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CN(C(=O)[C@@H]1CC12CCCC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937221161 681728324 /nfs/dbraw/zinc/72/83/24/681728324.db2.gz ZCOUDNJFUKLSKT-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)n1c(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n[n-]c1=S ZINC000066640504 681780159 /nfs/dbraw/zinc/78/01/59/681780159.db2.gz PXEAIYNMXIOHKJ-NEPJUHHUSA-N -1 1 342.465 2.112 20 0 EEADMM CC(C)c1occc1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025171916 682150663 /nfs/dbraw/zinc/15/06/63/682150663.db2.gz VGBKTPCYHICQLI-GFCCVEGCSA-N -1 1 347.419 2.011 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC001059135911 682551979 /nfs/dbraw/zinc/55/19/79/682551979.db2.gz BNBRJHZEXCLNFW-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1cocc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983572886 682882600 /nfs/dbraw/zinc/88/26/00/682882600.db2.gz JACVYEYLXKLRIX-OLZOCXBDSA-N -1 1 343.383 2.160 20 0 EEADMM C[C@]1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909407590 683182500 /nfs/dbraw/zinc/18/25/00/683182500.db2.gz UDVTWGDUUJJGBT-BEFAXECRSA-N -1 1 330.428 2.151 20 0 EEADMM CCCCCC[C@@](C)(NC(=O)CN(C)[C@@H]1CCSC1)C(=O)[O-] ZINC000909429188 683666965 /nfs/dbraw/zinc/66/69/65/683666965.db2.gz HSCQHODEHLUCJT-CZUORRHYSA-N -1 1 330.494 2.354 20 0 EEADMM Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c2ncccc12 ZINC000899538514 693782750 /nfs/dbraw/zinc/78/27/50/693782750.db2.gz ROZLAAQXBMDNNW-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM CC(C)C(=O)N(C)Cc1ccccc1CNC(=O)c1ncccc1[O-] ZINC001060490783 683795260 /nfs/dbraw/zinc/79/52/60/683795260.db2.gz IMOJANOGQSUDNC-UHFFFAOYSA-N -1 1 341.411 2.332 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)CCO1 ZINC000179870142 683961221 /nfs/dbraw/zinc/96/12/21/683961221.db2.gz IADRISYSCZLVQW-RYUDHWBXSA-N -1 1 349.884 2.336 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000181163346 684098250 /nfs/dbraw/zinc/09/82/50/684098250.db2.gz HDSAEQJFRCAQTE-UHFFFAOYSA-N -1 1 346.408 2.266 20 0 EEADMM CN(C(=O)CC1CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984108947 684111191 /nfs/dbraw/zinc/11/11/91/684111191.db2.gz VVNCEVCWOKEELZ-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)(C)/C=C/C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059352948 684342739 /nfs/dbraw/zinc/34/27/39/684342739.db2.gz CPSOVTPKSZQYSY-MRZGDXHCSA-N -1 1 345.443 2.358 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2cc(C(=O)[O-])co2)CCN1Cc1ccccc1 ZINC000310068837 684639799 /nfs/dbraw/zinc/63/97/99/684639799.db2.gz CNWXVCGEZDBOBF-WFASDCNBSA-N -1 1 328.368 2.371 20 0 EEADMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895949878 684786071 /nfs/dbraw/zinc/78/60/71/684786071.db2.gz WRJTULKILCQJOH-QWRGUYRKSA-N -1 1 330.384 2.284 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000194585460 684952226 /nfs/dbraw/zinc/95/22/26/684952226.db2.gz JSHKPONPWWUHJO-CQSZACIVSA-N -1 1 347.802 2.280 20 0 EEADMM Cc1cnc([C@H](C)N2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000974482490 684974827 /nfs/dbraw/zinc/97/48/27/684974827.db2.gz FBNCZAKQVLWVEE-GXTWGEPZSA-N -1 1 344.415 2.285 20 0 EEADMM C[C@H](C(=O)NC1(C(=O)[O-])CCC1)N1CCC(Cc2ccccc2)CC1 ZINC000909338701 685101103 /nfs/dbraw/zinc/10/11/03/685101103.db2.gz YREBAQONFJFTDO-OAHLLOKOSA-N -1 1 344.455 2.453 20 0 EEADMM CCn1ccnc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2O)CC1 ZINC000985276801 686204178 /nfs/dbraw/zinc/20/41/78/686204178.db2.gz KMZPHMIUENWXRY-UHFFFAOYSA-N -1 1 342.443 2.345 20 0 EEADMM CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514416 686261302 /nfs/dbraw/zinc/26/13/02/686261302.db2.gz CGVSUDJSIJLLIS-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC/C(C)=C\C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516380 686286338 /nfs/dbraw/zinc/28/63/38/686286338.db2.gz KZAVAUCGSNLQBP-YBEMTRGBSA-N -1 1 331.416 2.112 20 0 EEADMM CC1(C)CC(C(=O)N2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000975227551 686320889 /nfs/dbraw/zinc/32/08/89/686320889.db2.gz UMAJSIXKOPFGEZ-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM COc1ccc([C@@H](NCc2cc(C(F)(F)F)n[nH]2)C(=O)[O-])cc1 ZINC000901646580 694065299 /nfs/dbraw/zinc/06/52/99/694065299.db2.gz GZCXARUXTRDRAW-GFCCVEGCSA-N -1 1 329.278 2.353 20 0 EEADMM CC[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985494258 687040550 /nfs/dbraw/zinc/04/05/50/687040550.db2.gz GOSHBOHBRQBQDB-UGSOOPFHSA-N -1 1 349.479 2.150 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1[C@@H]1CCCN1C(=O)C1CC1 ZINC000975947044 687196993 /nfs/dbraw/zinc/19/69/93/687196993.db2.gz HVTMBADSWZKMNO-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM Nc1nc([O-])c(CC(=O)Nc2ncc(Cc3ccccc3)s2)s1 ZINC000079606121 688035186 /nfs/dbraw/zinc/03/51/86/688035186.db2.gz CJPOAUZVALTOCG-LLVKDONJSA-N -1 1 346.437 2.019 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000866937988 688251323 /nfs/dbraw/zinc/25/13/23/688251323.db2.gz MYBVLQFYGPLYHM-SNVBAGLBSA-N -1 1 339.360 2.473 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000987000102 689203643 /nfs/dbraw/zinc/20/36/43/689203643.db2.gz AARROARVMYUVML-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CCN1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)[C@H](C)C1 ZINC000904239337 694338192 /nfs/dbraw/zinc/33/81/92/694338192.db2.gz KQHLLVDADJQATL-CQSZACIVSA-N -1 1 335.448 2.107 20 0 EEADMM 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CC(C)c1nccc(N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001096639056 1243027517 /nfs/dbraw/zinc/02/75/17/1243027517.db2.gz INEPMARFTJPZTE-ZDUSSCGKSA-N -1 1 341.415 2.321 20 0 EEADMM CC(C)c1nsc(N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001096638852 1243027905 /nfs/dbraw/zinc/02/79/05/1243027905.db2.gz FLHZEOLLSFEVEA-NSHDSACASA-N -1 1 347.444 2.383 20 0 EEADMM CCC[C@H]1C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CCO1 ZINC000780166160 1243596094 /nfs/dbraw/zinc/59/60/94/1243596094.db2.gz VTINGPOKHQTOLY-MNOVXSKESA-N -1 1 325.327 2.194 20 0 EEADMM O=C(N[C@H]1CCCN(CC(F)(F)C(F)F)CC1)c1ncccc1[O-] ZINC001052330408 1247029405 /nfs/dbraw/zinc/02/94/05/1247029405.db2.gz SNSJMWXIPFXKGE-JTQLQIEISA-N -1 1 349.328 2.272 20 0 EEADMM CCc1nsc(NC[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001068321363 1250793453 /nfs/dbraw/zinc/79/34/53/1250793453.db2.gz IHYRITPYUABNFU-MNOVXSKESA-N -1 1 347.444 2.164 20 0 EEADMM CSc1ccnc(N[C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069066296 1252173133 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Cc1c(CO)cccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259383880 1319548186 /nfs/dbraw/zinc/54/81/86/1319548186.db2.gz CJOLFIVYEDOZHJ-UHFFFAOYSA-N -1 1 334.353 2.135 20 0 EEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001259383846 1319548306 /nfs/dbraw/zinc/54/83/06/1319548306.db2.gz ZZAOEETWLRZAMS-UHFFFAOYSA-N -1 1 333.369 2.400 20 0 EEADMM Cc1cc(F)ccc1S(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001259484994 1319593874 /nfs/dbraw/zinc/59/38/74/1319593874.db2.gz QDRWOTXSJYEXRI-UHFFFAOYSA-N -1 1 344.349 2.117 20 0 EEADMM Cc1ccc2nnc(CNC(=O)Cc3ccc([O-])c(Cl)c3)n2c1 ZINC001299591765 1319614935 /nfs/dbraw/zinc/61/49/35/1319614935.db2.gz CJNQOIUKUWFHTD-UHFFFAOYSA-N -1 1 330.775 2.256 20 0 EEADMM O=S(=O)(CCc1ccccc1)[N-]c1cnc(C(F)(F)F)nc1 ZINC001259731908 1319651769 /nfs/dbraw/zinc/65/17/69/1319651769.db2.gz DKVOFKYRYOYTIE-UHFFFAOYSA-N -1 1 331.319 2.480 20 0 EEADMM O=S(=O)(CCc1ccc(F)cc1)[N-]c1ccnc2cccnc12 ZINC001259754428 1319663246 /nfs/dbraw/zinc/66/32/46/1319663246.db2.gz 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O=C([O-])CCN1CC[C@@H](N2CCC(F)(c3ccccc3)CC2)C1=O ZINC001608723716 1351749844 /nfs/dbraw/zinc/74/98/44/1351749844.db2.gz XNIBGVVUZBPIJZ-OAHLLOKOSA-N -1 1 334.391 2.023 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC001608849036 1351778063 /nfs/dbraw/zinc/77/80/63/1351778063.db2.gz LYHWUHWTNQDGAQ-UHFFFAOYSA-N -1 1 331.278 2.469 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC2CCC(F)(F)CC2)oc1Cl ZINC001608860232 1351780380 /nfs/dbraw/zinc/78/03/80/1351780380.db2.gz BFIJSAPAFSGLCL-UHFFFAOYSA-N -1 1 343.735 2.487 20 0 EEADMM O=C([O-])c1ccc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)cc1Cl ZINC001608887341 1351787307 /nfs/dbraw/zinc/78/73/07/1351787307.db2.gz SCRLXHAGWLNPEZ-LBPRGKRZSA-N -1 1 336.779 2.298 20 0 EEADMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320020877 1332811696 /nfs/dbraw/zinc/81/16/96/1332811696.db2.gz QFONKDJZLOEOQP-VIFPVBQESA-N -1 1 327.233 2.074 20 0 EEADMM O=C([O-])c1cncc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC001608983042 1351808017 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O=C(c1ccc(Cn2cccc2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001323445865 1333465847 /nfs/dbraw/zinc/46/58/47/1333465847.db2.gz PHFWFAQSZMDYRV-INIZCTEOSA-N -1 1 336.399 2.069 20 0 EEADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC001324512149 1333699993 /nfs/dbraw/zinc/69/99/93/1333699993.db2.gz FXUFWYDHFSOVBD-LLVKDONJSA-N -1 1 332.429 2.097 20 0 EEADMM C[C@@]1(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1(Cl)Cl ZINC001609149098 1351862622 /nfs/dbraw/zinc/86/26/22/1351862622.db2.gz ZBPBYCHMPWVVKY-GFCCVEGCSA-N -1 1 342.186 2.485 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609152315 1351864687 /nfs/dbraw/zinc/86/46/87/1351864687.db2.gz AHVZCFHHIKZDAG-JGVFFNPUSA-N -1 1 332.355 2.486 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609152315 1351864690 /nfs/dbraw/zinc/86/46/90/1351864690.db2.gz AHVZCFHHIKZDAG-JGVFFNPUSA-N -1 1 332.355 2.486 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609159503 1351868642 /nfs/dbraw/zinc/86/86/42/1351868642.db2.gz OMJZTLMOQTWHKV-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609159503 1351868645 /nfs/dbraw/zinc/86/86/45/1351868645.db2.gz OMJZTLMOQTWHKV-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001609169354 1351875157 /nfs/dbraw/zinc/87/51/57/1351875157.db2.gz XSJJIAROWKAXON-SNVBAGLBSA-N -1 1 345.384 2.162 20 0 EEADMM CCC(CC)c1nnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001609189579 1351883023 /nfs/dbraw/zinc/88/30/23/1351883023.db2.gz MUKNVFWCCRNZNV-UHFFFAOYSA-N -1 1 344.404 2.269 20 0 EEADMM CCC(CC)c1nnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001609189579 1351883027 /nfs/dbraw/zinc/88/30/27/1351883027.db2.gz MUKNVFWCCRNZNV-UHFFFAOYSA-N -1 1 344.404 2.269 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1OC ZINC001609187990 1351882247 /nfs/dbraw/zinc/88/22/47/1351882247.db2.gz VOASGMNQZGDKFJ-SNVBAGLBSA-N -1 1 343.391 2.388 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1OC ZINC001609187990 1351882254 /nfs/dbraw/zinc/88/22/54/1351882254.db2.gz VOASGMNQZGDKFJ-SNVBAGLBSA-N -1 1 343.391 2.388 20 0 EEADMM CCC[C@@H](C)NC(=O)[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001609204968 1351890423 /nfs/dbraw/zinc/89/04/23/1351890423.db2.gz UVIKHAJHEMANRI-SCZZXKLOSA-N -1 1 349.464 2.059 20 0 EEADMM CCCC[C@H](C)N(CCCC)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609207658 1351891772 /nfs/dbraw/zinc/89/17/72/1351891772.db2.gz ORDCUUFRXDACRH-QWHCGFSZSA-N -1 1 348.455 2.227 20 0 EEADMM CCCc1[nH]ncc1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001326759082 1334155536 /nfs/dbraw/zinc/15/55/36/1334155536.db2.gz YKVGCAAMDDWEFR-UHFFFAOYSA-N -1 1 326.360 2.414 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609231899 1351903530 /nfs/dbraw/zinc/90/35/30/1351903530.db2.gz YIPMEVGNASWLPA-VIFPVBQESA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609231899 1351903532 /nfs/dbraw/zinc/90/35/32/1351903532.db2.gz YIPMEVGNASWLPA-VIFPVBQESA-N -1 1 338.389 2.063 20 0 EEADMM CCOc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cn1 ZINC001609244665 1351906845 /nfs/dbraw/zinc/90/68/45/1351906845.db2.gz DZXFUQGUGDDQSI-UHFFFAOYSA-N -1 1 341.356 2.439 20 0 EEADMM CCOc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cn1 ZINC001609244665 1351906849 /nfs/dbraw/zinc/90/68/49/1351906849.db2.gz DZXFUQGUGDDQSI-UHFFFAOYSA-N -1 1 341.356 2.439 20 0 EEADMM CCOc1ccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609244454 1351906963 /nfs/dbraw/zinc/90/69/63/1351906963.db2.gz DOUDUZGPTVKVME-UHFFFAOYSA-N -1 1 341.346 2.335 20 0 EEADMM CCOc1ccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609244454 1351906966 /nfs/dbraw/zinc/90/69/66/1351906966.db2.gz DOUDUZGPTVKVME-UHFFFAOYSA-N -1 1 341.346 2.335 20 0 EEADMM CN(C)c1ccccc1CN(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609280586 1351921180 /nfs/dbraw/zinc/92/11/80/1351921180.db2.gz MSXPSLJGFUDUKF-UHFFFAOYSA-N -1 1 342.428 2.266 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2csc(-c3nn[n-]n3)c2)C1(C)C ZINC001609312518 1351928524 /nfs/dbraw/zinc/92/85/24/1351928524.db2.gz HOBKDLQANFZXSO-ABAIWWIYSA-N -1 1 335.433 2.204 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(Br)c2)n1 ZINC001609392653 1351957976 /nfs/dbraw/zinc/95/79/76/1351957976.db2.gz YROMUBPOBTWMKK-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(Br)c2)n1 ZINC001609392653 1351957978 /nfs/dbraw/zinc/95/79/78/1351957978.db2.gz YROMUBPOBTWMKK-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(N[C@H]2CCCOc3c(F)cccc32)cc(-c2nnn[n-]2)n1 ZINC001609408729 1351964872 /nfs/dbraw/zinc/96/48/72/1351964872.db2.gz JJSJUEXCPPKPSV-AWEZNQCLSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cc(N[C@H]2CCCOc3c(F)cccc32)cc(-c2nn[n-]n2)n1 ZINC001609408729 1351964874 /nfs/dbraw/zinc/96/48/74/1351964874.db2.gz JJSJUEXCPPKPSV-AWEZNQCLSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1-c1nn[nH]n1 ZINC001609412845 1351966607 /nfs/dbraw/zinc/96/66/07/1351966607.db2.gz RNCPITMEDJMFPL-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccc(NC2CCN(c3ccccn3)CC2)nc1-c1nn[n-]n1 ZINC001609426412 1351971797 /nfs/dbraw/zinc/97/17/97/1351971797.db2.gz RJZIFQRSFOBZOW-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cnn([C@@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)c1 ZINC001609441486 1351978587 /nfs/dbraw/zinc/97/85/87/1351978587.db2.gz JAJCUSWJDWWUDH-CYBMUJFWSA-N -1 1 346.398 2.371 20 0 EEADMM Cc1cnn([C@@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)c1 ZINC001609441486 1351978589 /nfs/dbraw/zinc/97/85/89/1351978589.db2.gz JAJCUSWJDWWUDH-CYBMUJFWSA-N -1 1 346.398 2.371 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC001609467034 1351988696 /nfs/dbraw/zinc/98/86/96/1351988696.db2.gz RMYOWFXMDSRNLT-JTQLQIEISA-N -1 1 349.350 2.489 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC001609467034 1351988697 /nfs/dbraw/zinc/98/86/97/1351988697.db2.gz RMYOWFXMDSRNLT-JTQLQIEISA-N -1 1 349.350 2.489 20 0 EEADMM Cc1nsc(SCC(=O)Nc2ccccc2)c1-c1nnn[n-]1 ZINC001609466418 1351988846 /nfs/dbraw/zinc/98/88/46/1351988846.db2.gz UVCZXPZXMFRUSD-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM Cc1nsc(SCC(=O)Nc2ccccc2)c1-c1nn[n-]n1 ZINC001609466418 1351988848 /nfs/dbraw/zinc/98/88/48/1351988848.db2.gz UVCZXPZXMFRUSD-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM FC(F)(F)c1nc(Cl)ccc1Cn1ccnc1-c1nnn[n-]1 ZINC001609485157 1351993950 /nfs/dbraw/zinc/99/39/50/1351993950.db2.gz FTKGAWLLOGINLL-UHFFFAOYSA-N -1 1 329.673 2.179 20 0 EEADMM FC(F)(F)c1nc(Cl)ccc1Cn1ccnc1-c1nn[n-]n1 ZINC001609485157 1351993954 /nfs/dbraw/zinc/99/39/54/1351993954.db2.gz FTKGAWLLOGINLL-UHFFFAOYSA-N -1 1 329.673 2.179 20 0 EEADMM Fc1ccc(Oc2nccc(C(F)(F)F)n2)c(-c2nn[n-]n2)n1 ZINC001609491212 1351997013 /nfs/dbraw/zinc/99/70/13/1351997013.db2.gz OVBIYWIESASWEK-UHFFFAOYSA-N -1 1 327.201 2.002 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540787 1352009754 /nfs/dbraw/zinc/00/97/54/1352009754.db2.gz NHBJGFZXSVXHTA-GOEBONIOSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540787 1352009756 /nfs/dbraw/zinc/00/97/56/1352009756.db2.gz NHBJGFZXSVXHTA-GOEBONIOSA-N -1 1 348.410 2.403 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571987 1352020467 /nfs/dbraw/zinc/02/04/67/1352020467.db2.gz WWBFTSVUDMAYIT-USWWRNFRSA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571987 1352020469 /nfs/dbraw/zinc/02/04/69/1352020469.db2.gz WWBFTSVUDMAYIT-USWWRNFRSA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571987 1352020473 /nfs/dbraw/zinc/02/04/73/1352020473.db2.gz WWBFTSVUDMAYIT-USWWRNFRSA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571987 1352020475 /nfs/dbraw/zinc/02/04/75/1352020475.db2.gz WWBFTSVUDMAYIT-USWWRNFRSA-N -1 1 333.417 2.146 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609575485 1352021939 /nfs/dbraw/zinc/02/19/39/1352021939.db2.gz QUMDTENLEQYQOI-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609575485 1352021941 /nfs/dbraw/zinc/02/19/41/1352021941.db2.gz QUMDTENLEQYQOI-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM CC(C)N(C(=O)[C@H](C)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C(C)C ZINC001609632044 1352046506 /nfs/dbraw/zinc/04/65/06/1352046506.db2.gz ZOJXDPSYHPZSFO-FZMZJTMJSA-N -1 1 338.370 2.359 20 0 EEADMM CC(C)[C@]1(CO)CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)C1 ZINC001609688413 1352059872 /nfs/dbraw/zinc/05/98/72/1352059872.db2.gz KLZCUPNUHBMQLE-LJQANCHMSA-N -1 1 344.411 2.389 20 0 EEADMM CC(C)[C@H](NC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC001609716488 1352067024 /nfs/dbraw/zinc/06/70/24/1352067024.db2.gz JXHBPVDJLQCWPP-BBRMVZONSA-N -1 1 338.835 2.355 20 0 EEADMM C[C@H](NCCC(=O)N1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001609779413 1352083490 /nfs/dbraw/zinc/08/34/90/1352083490.db2.gz PRUMARMSVDPJMV-NSHDSACASA-N -1 1 345.424 2.471 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(CN2C[C@@H](c3ccccc3F)CC2=O)C1 ZINC001609811717 1352091376 /nfs/dbraw/zinc/09/13/76/1352091376.db2.gz SWSGMTVNPXPHFX-SCLBCKFNSA-N -1 1 334.391 2.286 20 0 EEADMM CCOC[C@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001338339664 1336843806 /nfs/dbraw/zinc/84/38/06/1336843806.db2.gz ZQUYSCOAVDMCGX-JTQLQIEISA-N -1 1 337.811 2.099 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001609849276 1352100846 /nfs/dbraw/zinc/10/08/46/1352100846.db2.gz BHMHILZGXXNOKL-OUSDRQIFSA-N -1 1 341.354 2.093 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609900242 1352114534 /nfs/dbraw/zinc/11/45/34/1352114534.db2.gz NZOGCXYROBLCAE-BLLLJJGKSA-N -1 1 336.407 2.410 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CC[C@H](c3nn[n-]n3)C2)c(Cl)c1 ZINC001347975389 1337529196 /nfs/dbraw/zinc/52/91/96/1337529196.db2.gz RXPJSBDUSKGCLK-LBPRGKRZSA-N -1 1 349.822 2.337 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(Cc1ccccn1)CC(C)C ZINC001350609357 1337728412 /nfs/dbraw/zinc/72/84/12/1337728412.db2.gz CCPBLDPKFRXDDR-UHFFFAOYSA-N -1 1 332.429 2.473 20 0 EEADMM C[C@@H](NC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C1CCC1 ZINC000847341621 1337961271 /nfs/dbraw/zinc/96/12/71/1337961271.db2.gz BNFBTXIQFPSSCJ-CKYFFXLPSA-N -1 1 335.370 2.416 20 0 EEADMM COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001610159625 1352176424 /nfs/dbraw/zinc/17/64/24/1352176424.db2.gz RZYBIJDFDDPVND-SMDDNHRTSA-N -1 1 349.280 2.379 20 0 EEADMM Cc1cc([C@@H](NCc2ccc(C(=O)N(C)C)[nH]2)C(=O)[O-])ccc1F ZINC001610449630 1352224064 /nfs/dbraw/zinc/22/40/64/1352224064.db2.gz FFRFJSQWISFGME-OAHLLOKOSA-N -1 1 333.363 2.080 20 0 EEADMM CCCC1(C(=O)NC2CC(N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC001428467729 1339527117 /nfs/dbraw/zinc/52/71/17/1339527117.db2.gz PCEZECOVSIQYMB-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccsc1C ZINC001428657834 1339619016 /nfs/dbraw/zinc/61/90/16/1339619016.db2.gz WJURIZXUWROMKO-LLVKDONJSA-N -1 1 347.440 2.438 20 0 EEADMM O=C([O-])COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC001610787093 1352274333 /nfs/dbraw/zinc/27/43/33/1352274333.db2.gz SKNVODZEJGAXAX-OCCSQVGLSA-N -1 1 347.333 2.143 20 0 EEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC001610796128 1352276162 /nfs/dbraw/zinc/27/61/62/1352276162.db2.gz LGISQIPXQFBRJO-UHFFFAOYSA-N -1 1 346.408 2.388 20 0 EEADMM O=C([O-])c1cncc(S(=O)(=O)Nc2cccc3c2CCCC3)c1 ZINC001610863856 1352287373 /nfs/dbraw/zinc/28/73/73/1352287373.db2.gz GZEPXBMSHCFLLQ-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM C[C@H](CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1)CC(C)(C)C ZINC001430311813 1340184914 /nfs/dbraw/zinc/18/49/14/1340184914.db2.gz OUZFUOWGPGMBSR-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM COc1ccc(C(=O)N[N-]C(=O)c2cc3c(C)nn(C)c3s2)cc1 ZINC000014055977 1352319523 /nfs/dbraw/zinc/31/95/23/1352319523.db2.gz FVHIDJNLCWIBFY-UHFFFAOYSA-N -1 1 344.396 2.027 20 0 EEADMM COCc1nsc([N-]C(=O)c2ncoc2CCC(F)(F)F)n1 ZINC001433446371 1341601172 /nfs/dbraw/zinc/60/11/72/1341601172.db2.gz IKJQCBIHUUWIAJ-UHFFFAOYSA-N -1 1 336.295 2.420 20 0 EEADMM Cn1nc(C(=O)Nc2cc([O-])c(F)cc2F)cc1Br ZINC001434049854 1341753640 /nfs/dbraw/zinc/75/36/40/1341753640.db2.gz JPBBLDHMUDIJQM-UHFFFAOYSA-N -1 1 332.104 2.419 20 0 EEADMM CC(C)(C)C(=O)NCC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434297428 1341823063 /nfs/dbraw/zinc/82/30/63/1341823063.db2.gz WCVZGXWEXHLOCN-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM COC(=O)Cc1occ(C)c1C(=O)[N-]c1c(C)onc1OC(F)F ZINC001435896307 1342003838 /nfs/dbraw/zinc/00/38/38/1342003838.db2.gz IJSKGJVRSRBCEP-UHFFFAOYSA-N -1 1 344.270 2.454 20 0 EEADMM COc1ccc2c(c1)C[C@@H](C)C[C@@H]2Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC001553969314 1342389026 /nfs/dbraw/zinc/38/90/26/1342389026.db2.gz QDHOEBTVMKVBGJ-OTYXRUKQSA-N -1 1 325.372 2.176 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1noc(C)n1 ZINC001577000007 1344081511 /nfs/dbraw/zinc/08/15/11/1344081511.db2.gz ZHDYWNCKINHWAS-YFKPBYRVSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1noc(C)n1 ZINC001577000007 1344081517 /nfs/dbraw/zinc/08/15/17/1344081517.db2.gz ZHDYWNCKINHWAS-YFKPBYRVSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@@H]1CCCC[C@H]1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577156010 1344096309 /nfs/dbraw/zinc/09/63/09/1344096309.db2.gz IYPOYJMCVNRYGV-NEPJUHHUSA-N -1 1 344.419 2.222 20 0 EEADMM CN(CCc1cccc2ccccc21)c1ccnc(-c2nn[n-]n2)n1 ZINC001579232383 1344355609 /nfs/dbraw/zinc/35/56/09/1344355609.db2.gz WZGBFOSEXTZEBA-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CN(Cc1ccccc1Cl)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579262767 1344360792 /nfs/dbraw/zinc/36/07/92/1344360792.db2.gz KFMYFIDTXQQWEY-UHFFFAOYSA-N -1 1 342.790 2.116 20 0 EEADMM CN(Cc1ccccc1Cl)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579262767 1344360794 /nfs/dbraw/zinc/36/07/94/1344360794.db2.gz KFMYFIDTXQQWEY-UHFFFAOYSA-N -1 1 342.790 2.116 20 0 EEADMM COC(=O)c1cc(C)cc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001579478417 1344386736 /nfs/dbraw/zinc/38/67/36/1344386736.db2.gz FPTNJGLLIBAXFN-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COC(=O)c1cc(C)cc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001579478417 1344386742 /nfs/dbraw/zinc/38/67/42/1344386742.db2.gz FPTNJGLLIBAXFN-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc(OC)c1Cl ZINC001579935041 1344436051 /nfs/dbraw/zinc/43/60/51/1344436051.db2.gz CEJFWAKMQCQFRL-UHFFFAOYSA-N -1 1 349.734 2.383 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133091 1344477967 /nfs/dbraw/zinc/47/79/67/1344477967.db2.gz GPGOKAUEAYQMDL-OUAUKWLOSA-N -1 1 330.392 2.281 20 0 EEADMM CSc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)ccn1 ZINC001580230417 1344495107 /nfs/dbraw/zinc/49/51/07/1344495107.db2.gz FBIYUQRZJAICSP-UHFFFAOYSA-N -1 1 347.429 2.025 20 0 EEADMM CSc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)ccn1 ZINC001580230417 1344495109 /nfs/dbraw/zinc/49/51/09/1344495109.db2.gz FBIYUQRZJAICSP-UHFFFAOYSA-N -1 1 347.429 2.025 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1ccnc(-c2nn[n-]n2)n1)CC3 ZINC001581215120 1344599829 /nfs/dbraw/zinc/59/98/29/1344599829.db2.gz QTEFQVSKNDDXMC-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1cccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC001581241380 1344605808 /nfs/dbraw/zinc/60/58/08/1344605808.db2.gz YODGJCWJEUCZMU-UHFFFAOYSA-N -1 1 339.403 2.308 20 0 EEADMM Cc1cccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC001581241380 1344605814 /nfs/dbraw/zinc/60/58/14/1344605814.db2.gz YODGJCWJEUCZMU-UHFFFAOYSA-N -1 1 339.403 2.308 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581260688 1344607673 /nfs/dbraw/zinc/60/76/73/1344607673.db2.gz YDMPPPUQNPCFTN-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581260688 1344607680 /nfs/dbraw/zinc/60/76/80/1344607680.db2.gz YDMPPPUQNPCFTN-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581261080 1344607842 /nfs/dbraw/zinc/60/78/42/1344607842.db2.gz RYLJKQMQQXXNNB-GXTWGEPZSA-N -1 1 335.371 2.248 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581261080 1344607844 /nfs/dbraw/zinc/60/78/44/1344607844.db2.gz RYLJKQMQQXXNNB-GXTWGEPZSA-N -1 1 335.371 2.248 20 0 EEADMM Cc1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581611947 1344644103 /nfs/dbraw/zinc/64/41/03/1344644103.db2.gz CRBMPBMIPFCJRY-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM Cc1nnc(N2CCCC(C)(C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581611947 1344644108 /nfs/dbraw/zinc/64/41/08/1344644108.db2.gz CRBMPBMIPFCJRY-UHFFFAOYSA-N -1 1 342.407 2.034 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)c1cccc(F)c1[O-] ZINC001582653015 1344778035 /nfs/dbraw/zinc/77/80/35/1344778035.db2.gz DIILULOJMILLBK-UHFFFAOYSA-N -1 1 340.727 2.074 20 0 EEADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1csc(-c2nn[n-]n2)c1 ZINC001582774310 1344789841 /nfs/dbraw/zinc/78/98/41/1344789841.db2.gz FZELXONJGRNTJT-UHFFFAOYSA-N -1 1 340.368 2.065 20 0 EEADMM CC(C)(C)OC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)C1CCC1 ZINC001589156042 1348967137 /nfs/dbraw/zinc/96/71/37/1348967137.db2.gz MZHBEUFSEREAIO-UHFFFAOYSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)(C)OC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)C1CCC1 ZINC001589156042 1348967141 /nfs/dbraw/zinc/96/71/41/1348967141.db2.gz MZHBEUFSEREAIO-UHFFFAOYSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001589518217 1348999452 /nfs/dbraw/zinc/99/94/52/1348999452.db2.gz QYIQGMWHRSVAQJ-LLVKDONJSA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001589518217 1348999455 /nfs/dbraw/zinc/99/94/55/1348999455.db2.gz QYIQGMWHRSVAQJ-LLVKDONJSA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001589769568 1349034987 /nfs/dbraw/zinc/03/49/87/1349034987.db2.gz PHIVKXRGWPZRMZ-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001589769568 1349034993 /nfs/dbraw/zinc/03/49/93/1349034993.db2.gz PHIVKXRGWPZRMZ-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)n1ccc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001589782643 1349040242 /nfs/dbraw/zinc/04/02/42/1349040242.db2.gz RYGBHRFVTWQTEZ-UHFFFAOYSA-N -1 1 330.323 2.140 20 0 EEADMM CC(C)n1ccc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589782643 1349040244 /nfs/dbraw/zinc/04/02/44/1349040244.db2.gz RYGBHRFVTWQTEZ-UHFFFAOYSA-N -1 1 330.323 2.140 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589803807 1349047741 /nfs/dbraw/zinc/04/77/41/1349047741.db2.gz RUMOORIMFGRCOM-CABZTGNLSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589803807 1349047745 /nfs/dbraw/zinc/04/77/45/1349047745.db2.gz RUMOORIMFGRCOM-CABZTGNLSA-N -1 1 341.375 2.051 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Br)cn1 ZINC001589986148 1349093942 /nfs/dbraw/zinc/09/39/42/1349093942.db2.gz YRYUCEKZUZUZBQ-MRVPVSSYSA-N -1 1 346.192 2.014 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Br)cn1 ZINC001589986148 1349093948 /nfs/dbraw/zinc/09/39/48/1349093948.db2.gz YRYUCEKZUZUZBQ-MRVPVSSYSA-N -1 1 346.192 2.014 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590051563 1349131745 /nfs/dbraw/zinc/13/17/45/1349131745.db2.gz LSGJGKYSZPKHEX-GWCFXTLKSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590051563 1349131752 /nfs/dbraw/zinc/13/17/52/1349131752.db2.gz LSGJGKYSZPKHEX-GWCFXTLKSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@@H]1C(=O)CC[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001590163235 1349180222 /nfs/dbraw/zinc/18/02/22/1349180222.db2.gz HNDGVYIKCODXTC-BDAKNGLRSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@@H]1C(=O)CC[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001590163235 1349180229 /nfs/dbraw/zinc/18/02/29/1349180229.db2.gz HNDGVYIKCODXTC-BDAKNGLRSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590221311 1349207358 /nfs/dbraw/zinc/20/73/58/1349207358.db2.gz UCSFMSFBXRNFJF-ONGXEEELSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590221311 1349207364 /nfs/dbraw/zinc/20/73/64/1349207364.db2.gz UCSFMSFBXRNFJF-ONGXEEELSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CC2(CCCCC2)O1 ZINC001590301064 1349251814 /nfs/dbraw/zinc/25/18/14/1349251814.db2.gz POWCAUICZGCNNY-LLVKDONJSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590339175 1349275724 /nfs/dbraw/zinc/27/57/24/1349275724.db2.gz WCACKLLGTRJADO-MRVPVSSYSA-N -1 1 332.751 2.132 20 0 EEADMM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590339175 1349275728 /nfs/dbraw/zinc/27/57/28/1349275728.db2.gz WCACKLLGTRJADO-MRVPVSSYSA-N -1 1 332.751 2.132 20 0 EEADMM CCC(=O)N[C@H](C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590363759 1349284668 /nfs/dbraw/zinc/28/46/68/1349284668.db2.gz UJVINXSBQUJIKI-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCC(CC)(CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590428423 1349320099 /nfs/dbraw/zinc/32/00/99/1349320099.db2.gz BJCWFZZWNCCZTE-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CCC(CC)(CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590428423 1349320105 /nfs/dbraw/zinc/32/01/05/1349320105.db2.gz BJCWFZZWNCCZTE-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590431688 1349321830 /nfs/dbraw/zinc/32/18/30/1349321830.db2.gz OMERNHUMZRHKDQ-GXTWGEPZSA-N -1 1 331.424 2.361 20 0 EEADMM CCC(CC)[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590431688 1349321834 /nfs/dbraw/zinc/32/18/34/1349321834.db2.gz OMERNHUMZRHKDQ-GXTWGEPZSA-N -1 1 331.424 2.361 20 0 EEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590439631 1349326335 /nfs/dbraw/zinc/32/63/35/1349326335.db2.gz RSCJVEBBTSHJQL-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590439631 1349326340 /nfs/dbraw/zinc/32/63/40/1349326340.db2.gz RSCJVEBBTSHJQL-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CC[C@H](CNc1ncncc1-c1nn[n-]n1)Oc1ccccc1C ZINC001590446766 1349329529 /nfs/dbraw/zinc/32/95/29/1349329529.db2.gz VFPOHPMYTVVPNM-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001590450819 1349332518 /nfs/dbraw/zinc/33/25/18/1349332518.db2.gz VAZSOXLMRCQHGD-ZDUSSCGKSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001590450819 1349332524 /nfs/dbraw/zinc/33/25/24/1349332524.db2.gz VAZSOXLMRCQHGD-ZDUSSCGKSA-N -1 1 339.403 2.116 20 0 EEADMM CCC(F)(F)C(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590451602 1349332633 /nfs/dbraw/zinc/33/26/33/1349332633.db2.gz JFDBDLGECRFCOM-UHFFFAOYSA-N -1 1 325.319 2.490 20 0 EEADMM CCC(F)(F)C(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590451602 1349332642 /nfs/dbraw/zinc/33/26/42/1349332642.db2.gz JFDBDLGECRFCOM-UHFFFAOYSA-N -1 1 325.319 2.490 20 0 EEADMM CC[C@@](NCc1ccc(-c2nnn[n-]2)o1)(C(=O)OC)c1ccccc1 ZINC001590466869 1349341010 /nfs/dbraw/zinc/34/10/10/1349341010.db2.gz POHUUFIEMGNASD-KRWDZBQOSA-N -1 1 341.371 2.028 20 0 EEADMM CC[C@@](NCc1ccc(-c2nn[n-]n2)o1)(C(=O)OC)c1ccccc1 ZINC001590466869 1349341015 /nfs/dbraw/zinc/34/10/15/1349341015.db2.gz POHUUFIEMGNASD-KRWDZBQOSA-N -1 1 341.371 2.028 20 0 EEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001590503851 1349356890 /nfs/dbraw/zinc/35/68/90/1349356890.db2.gz SOTYKZLQURXLLD-VHSXEESVSA-N -1 1 336.421 2.165 20 0 EEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590503851 1349356897 /nfs/dbraw/zinc/35/68/97/1349356897.db2.gz SOTYKZLQURXLLD-VHSXEESVSA-N -1 1 336.421 2.165 20 0 EEADMM CCc1nc(Oc2ccc(C)c(C(=O)OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590925636 1349414990 /nfs/dbraw/zinc/41/49/90/1349414990.db2.gz PXTVZHJDTUKUPV-UHFFFAOYSA-N -1 1 340.343 2.106 20 0 EEADMM CCc1nc(Oc2ccc(C)c(C(=O)OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590925636 1349414992 /nfs/dbraw/zinc/41/49/92/1349414992.db2.gz PXTVZHJDTUKUPV-UHFFFAOYSA-N -1 1 340.343 2.106 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nsc2ccccc21 ZINC001590992698 1349428639 /nfs/dbraw/zinc/42/86/39/1349428639.db2.gz UKMORPDGUUNITL-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nsc2ccccc21 ZINC001590992698 1349428643 /nfs/dbraw/zinc/42/86/43/1349428643.db2.gz UKMORPDGUUNITL-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM COC1(C(F)(F)F)CCN(c2ccc(C)c(-c3nnn[n-]3)n2)CC1 ZINC001591337465 1349463705 /nfs/dbraw/zinc/46/37/05/1349463705.db2.gz GKGRSEJKQURCGT-UHFFFAOYSA-N -1 1 342.325 2.118 20 0 EEADMM COC1(C(F)(F)F)CCN(c2ccc(C)c(-c3nn[n-]n3)n2)CC1 ZINC001591337465 1349463707 /nfs/dbraw/zinc/46/37/07/1349463707.db2.gz GKGRSEJKQURCGT-UHFFFAOYSA-N -1 1 342.325 2.118 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c(OC)c1 ZINC001591621983 1349518810 /nfs/dbraw/zinc/51/88/10/1349518810.db2.gz PGECQNXFWXFWFI-SNVBAGLBSA-N -1 1 341.375 2.155 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c(OC)c1 ZINC001591621983 1349518815 /nfs/dbraw/zinc/51/88/15/1349518815.db2.gz PGECQNXFWXFWFI-SNVBAGLBSA-N -1 1 341.375 2.155 20 0 EEADMM Cc1cc(N2C[C@@H](C)OC3(CCCCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001591997788 1349580575 /nfs/dbraw/zinc/58/05/75/1349580575.db2.gz DOCHXEKDYZAOTC-CYBMUJFWSA-N -1 1 328.420 2.498 20 0 EEADMM Cc1cc(N2C[C@@H](C)OC3(CCCCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001591997788 1349580582 /nfs/dbraw/zinc/58/05/82/1349580582.db2.gz DOCHXEKDYZAOTC-CYBMUJFWSA-N -1 1 328.420 2.498 20 0 EEADMM Cc1nsc(NCc2nc3cc(C)ccc3n2C)c1-c1nn[n-]n1 ZINC001592205710 1349608329 /nfs/dbraw/zinc/60/83/29/1349608329.db2.gz WOBRWABDYSQXPG-UHFFFAOYSA-N -1 1 340.416 2.439 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc(OC(C)(C)C)n2)c1C ZINC001592340630 1349623087 /nfs/dbraw/zinc/62/30/87/1349623087.db2.gz YWGITEZLWVBHHX-UHFFFAOYSA-N -1 1 327.392 2.301 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2cccc(OC(C)(C)C)n2)c1C ZINC001592340630 1349623088 /nfs/dbraw/zinc/62/30/88/1349623088.db2.gz YWGITEZLWVBHHX-UHFFFAOYSA-N -1 1 327.392 2.301 20 0 EEADMM Cc1ncsc1NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592425896 1349629569 /nfs/dbraw/zinc/62/95/69/1349629569.db2.gz LJTPQCBUESIODK-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Clc1ccc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001592528429 1349649101 /nfs/dbraw/zinc/64/91/01/1349649101.db2.gz QGFOJNSOCFOMNO-ZDUSSCGKSA-N -1 1 327.779 2.295 20 0 EEADMM Clc1cccc(C2(CNc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001592534147 1349650464 /nfs/dbraw/zinc/65/04/64/1349650464.db2.gz CXWDFRWPWIIBOS-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1cccc(C2(CNc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001592534147 1349650466 /nfs/dbraw/zinc/65/04/66/1349650466.db2.gz CXWDFRWPWIIBOS-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Fc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC001592639492 1349688135 /nfs/dbraw/zinc/68/81/35/1349688135.db2.gz AELRIARGOONFEK-UHFFFAOYSA-N -1 1 327.245 2.360 20 0 EEADMM Fc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001592639492 1349688142 /nfs/dbraw/zinc/68/81/42/1349688142.db2.gz AELRIARGOONFEK-UHFFFAOYSA-N -1 1 327.245 2.360 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001592647838 1349692785 /nfs/dbraw/zinc/69/27/85/1349692785.db2.gz YAJBFXKDAGTMCD-GFCCVEGCSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc(CNc2cc(-c3nnn[n-]3)ncn2)c(C(F)(F)F)c1 ZINC001592649613 1349694116 /nfs/dbraw/zinc/69/41/16/1349694116.db2.gz MQYNKPGGQYXYTQ-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1ccc(CNc2cc(-c3nn[n-]n3)ncn2)c(C(F)(F)F)c1 ZINC001592649613 1349694119 /nfs/dbraw/zinc/69/41/19/1349694119.db2.gz MQYNKPGGQYXYTQ-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1cccc(C2(CNc3cc(-c4nnn[n-]4)ncn3)CCC2)c1 ZINC001592655757 1349700457 /nfs/dbraw/zinc/70/04/57/1349700457.db2.gz WPOXHSTZXHOYPU-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1cccc(C2(CNc3cc(-c4nn[n-]n4)ncn3)CCC2)c1 ZINC001592655757 1349700462 /nfs/dbraw/zinc/70/04/62/1349700462.db2.gz WPOXHSTZXHOYPU-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592656650 1349700980 /nfs/dbraw/zinc/70/09/80/1349700980.db2.gz IBWCYHXAJSSNDF-BXKDBHETSA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592656650 1349700984 /nfs/dbraw/zinc/70/09/84/1349700984.db2.gz IBWCYHXAJSSNDF-BXKDBHETSA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cccc(F)c1C1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001592656829 1349701611 /nfs/dbraw/zinc/70/16/11/1349701611.db2.gz QTIQGBYHGYPYJV-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM Fc1cccc(F)c1C1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001592656829 1349701614 /nfs/dbraw/zinc/70/16/14/1349701614.db2.gz QTIQGBYHGYPYJV-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592950072 1349729159 /nfs/dbraw/zinc/72/91/59/1349729159.db2.gz RQPFOYOVVGCPJV-HNNXBMFYSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@H](C1CCC1)C1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592950072 1349729162 /nfs/dbraw/zinc/72/91/62/1349729162.db2.gz RQPFOYOVVGCPJV-HNNXBMFYSA-N -1 1 326.404 2.350 20 0 EEADMM O=C([N-][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(F)(F)C(F)F ZINC001592982873 1349731908 /nfs/dbraw/zinc/73/19/08/1349731908.db2.gz ODGRXFBAFCXKLP-JTQLQIEISA-N -1 1 343.284 2.261 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccsc1-c1nnn[n-]1 ZINC001592997392 1349732870 /nfs/dbraw/zinc/73/28/70/1349732870.db2.gz UIHBHIYSXWYOKB-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccsc1-c1nn[n-]n1 ZINC001592997392 1349732871 /nfs/dbraw/zinc/73/28/71/1349732871.db2.gz UIHBHIYSXWYOKB-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCC[C@H]1CC1(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593059777 1349734670 /nfs/dbraw/zinc/73/46/70/1349734670.db2.gz DETBDZYXBNTVCV-QMMMGPOBSA-N -1 1 332.314 2.123 20 0 EEADMM O=C([N-]CCCSc1cccc(F)c1-c1nn[nH]n1)C(F)(F)F ZINC001593078405 1349737872 /nfs/dbraw/zinc/73/78/72/1349737872.db2.gz NUVLVGJFVLZPDE-UHFFFAOYSA-N -1 1 349.313 2.167 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2sccc2c1 ZINC001593146646 1349742122 /nfs/dbraw/zinc/74/21/22/1349742122.db2.gz YFYKIWHAGDNBNS-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2sccc2c1 ZINC001593146646 1349742126 /nfs/dbraw/zinc/74/21/26/1349742126.db2.gz YFYKIWHAGDNBNS-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1sccc1Cl ZINC001593195842 1349744413 /nfs/dbraw/zinc/74/44/13/1349744413.db2.gz HDQZZUAYTWUEID-UHFFFAOYSA-N -1 1 335.780 2.434 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CCSC2(CCC2)C1 ZINC001593243252 1349748864 /nfs/dbraw/zinc/74/88/64/1349748864.db2.gz BFNUHWLBLNPGIJ-SNVBAGLBSA-N -1 1 345.432 2.202 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CCSC2(CCC2)C1 ZINC001593243252 1349748867 /nfs/dbraw/zinc/74/88/67/1349748867.db2.gz BFNUHWLBLNPGIJ-SNVBAGLBSA-N -1 1 345.432 2.202 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1scnc1Cl ZINC001593269965 1349757279 /nfs/dbraw/zinc/75/72/79/1349757279.db2.gz RFXCJJKYPWNWBJ-UHFFFAOYSA-N -1 1 348.200 2.339 20 0 EEADMM O=C(OCc1ccc(-c2nn[nH]n2)cc1)c1c([O-])cc(F)cc1F ZINC001593295002 1349769693 /nfs/dbraw/zinc/76/96/93/1349769693.db2.gz XIBFESUQJZAIIE-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM O=C(OCc1cccc(Cl)n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593300666 1349773155 /nfs/dbraw/zinc/77/31/55/1349773155.db2.gz GDVVRZWMWNKMFB-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(Cl)n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593300666 1349773161 /nfs/dbraw/zinc/77/31/61/1349773161.db2.gz GDVVRZWMWNKMFB-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593329354 1349782302 /nfs/dbraw/zinc/78/23/02/1349782302.db2.gz LYBPZJZXIINCME-IAQYHMDHSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593329354 1349782307 /nfs/dbraw/zinc/78/23/07/1349782307.db2.gz LYBPZJZXIINCME-IAQYHMDHSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593367540 1349791877 /nfs/dbraw/zinc/79/18/77/1349791877.db2.gz LUNSLIVIKQORRY-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593367540 1349791880 /nfs/dbraw/zinc/79/18/80/1349791880.db2.gz LUNSLIVIKQORRY-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@H]1C(F)(F)F ZINC001593370152 1349792105 /nfs/dbraw/zinc/79/21/05/1349792105.db2.gz JBEQKISIVMPDJT-VIFPVBQESA-N -1 1 335.336 2.006 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCOCC2CCCC2)c2ccccc12 ZINC001593493987 1349818292 /nfs/dbraw/zinc/81/82/92/1349818292.db2.gz CRDVZWSAPBOTDA-UHFFFAOYSA-N -1 1 339.399 2.388 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001593496809 1349821027 /nfs/dbraw/zinc/82/10/27/1349821027.db2.gz YNPBBWWVMDXSDN-HZPDHXFCSA-N -1 1 337.383 2.339 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543427 1349838185 /nfs/dbraw/zinc/83/81/85/1349838185.db2.gz OEOKWVNCBSSZHQ-DZGCQCFKSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543427 1349838190 /nfs/dbraw/zinc/83/81/90/1349838190.db2.gz OEOKWVNCBSSZHQ-DZGCQCFKSA-N -1 1 341.419 2.294 20 0 EEADMM c1coc([C@@H]2N(c3cccc(-c4nnn[n-]4)n3)CC23CCOCC3)c1 ZINC001593549829 1349843233 /nfs/dbraw/zinc/84/32/33/1349843233.db2.gz FTTNYPGPGMEYGW-HNNXBMFYSA-N -1 1 338.371 2.213 20 0 EEADMM c1coc([C@@H]2N(c3cccc(-c4nn[n-]n4)n3)CC23CCOCC3)c1 ZINC001593549829 1349843236 /nfs/dbraw/zinc/84/32/36/1349843236.db2.gz FTTNYPGPGMEYGW-HNNXBMFYSA-N -1 1 338.371 2.213 20 0 EEADMM c1nc2ccccc2n1[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001593550456 1349844589 /nfs/dbraw/zinc/84/45/89/1349844589.db2.gz VXMARYHEYUIWQI-GFCCVEGCSA-N -1 1 332.371 2.063 20 0 EEADMM c1nc2ccccc2n1[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001593550456 1349844593 /nfs/dbraw/zinc/84/45/93/1349844593.db2.gz VXMARYHEYUIWQI-GFCCVEGCSA-N -1 1 332.371 2.063 20 0 EEADMM c1ccc(C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC001593574037 1349858184 /nfs/dbraw/zinc/85/81/84/1349858184.db2.gz VXYGFZATJIRTME-QGZVFWFLSA-N -1 1 343.394 2.475 20 0 EEADMM c1ccc(C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC001593574037 1349858188 /nfs/dbraw/zinc/85/81/88/1349858188.db2.gz VXYGFZATJIRTME-QGZVFWFLSA-N -1 1 343.394 2.475 20 0 EEADMM Cc1c(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cccc1C(=O)[O-] ZINC001600037146 1349959481 /nfs/dbraw/zinc/95/94/81/1349959481.db2.gz PACCHZQKJJQDFQ-GFCCVEGCSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(C(F)(F)F)ccc1CN1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001600142027 1349978874 /nfs/dbraw/zinc/97/88/74/1349978874.db2.gz CYBANZZDAJXFSS-CYBMUJFWSA-N -1 1 344.333 2.179 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001600351537 1350026819 /nfs/dbraw/zinc/02/68/19/1350026819.db2.gz CVFIMRUDGFLISF-XPKDYRNWSA-N -1 1 332.400 2.131 20 0 EEADMM Cc1ccc(N2CCC[C@H](N[C@@H](C[C@@H]3CCCO3)C(=O)[O-])C2=O)cc1 ZINC001600434286 1350050330 /nfs/dbraw/zinc/05/03/30/1350050330.db2.gz ANFLTSIPGBCZQY-ULQDDVLXSA-N -1 1 346.427 2.102 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccnn2C2CCC2)cc1C(=O)[O-] ZINC001600463957 1350057734 /nfs/dbraw/zinc/05/77/34/1350057734.db2.gz HZOHFRLWTGMDJH-UHFFFAOYSA-N -1 1 335.385 2.416 20 0 EEADMM Cc1ccc2nc(CN3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc(=O)n2c1 ZINC001600504282 1350068223 /nfs/dbraw/zinc/06/82/23/1350068223.db2.gz XSOYLGMFDLOOLN-JYJNAYRXSA-N -1 1 341.411 2.078 20 0 EEADMM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600550226 1350079902 /nfs/dbraw/zinc/07/99/02/1350079902.db2.gz LWGGOVGBYPDOJN-UHFFFAOYSA-N -1 1 349.412 2.409 20 0 EEADMM Cc1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)nc2c1CCCC2 ZINC001600717886 1350120574 /nfs/dbraw/zinc/12/05/74/1350120574.db2.gz MZIFSIPETFFPDR-UHFFFAOYSA-N -1 1 347.396 2.163 20 0 EEADMM Cc1nc([C@H](C)NC(=O)Nc2cccc(CSCC(=O)[O-])c2)n[nH]1 ZINC001600791680 1350138476 /nfs/dbraw/zinc/13/84/76/1350138476.db2.gz BEQJCPLGMZWVHI-VIFPVBQESA-N -1 1 349.416 2.314 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)Nc2ccc(C(=O)[O-])s2)[nH]n1 ZINC001600980843 1350181582 /nfs/dbraw/zinc/18/15/82/1350181582.db2.gz JSTCXPDHGOEPSM-UHFFFAOYSA-N -1 1 332.345 2.214 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@H](CCO)c2cccs2)cc1 ZINC001601323981 1350257142 /nfs/dbraw/zinc/25/71/42/1350257142.db2.gz PDIIXFSEMCKQCT-CYBMUJFWSA-N -1 1 334.397 2.098 20 0 EEADMM O=C([O-])c1cnc(Cl)c(NC(=O)NCc2ccc3cncn3c2)c1 ZINC001601541152 1350304014 /nfs/dbraw/zinc/30/40/14/1350304014.db2.gz CPVIQNSXRUTKIF-UHFFFAOYSA-N -1 1 345.746 2.403 20 0 EEADMM O=C([O-])c1ccc(NC(=O)NCc2ccc3cncn3c2)c(F)c1 ZINC001601541806 1350304216 /nfs/dbraw/zinc/30/42/16/1350304216.db2.gz RSSJSPBPCMRGKW-UHFFFAOYSA-N -1 1 328.303 2.493 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@H]1Cc2ccccc2CN1)CC1CCCC1 ZINC001601652440 1350328834 /nfs/dbraw/zinc/32/88/34/1350328834.db2.gz QEEVORZKCALULC-DLBZAZTESA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001601883881 1350390641 /nfs/dbraw/zinc/39/06/41/1350390641.db2.gz OSKVQUNTJBTCRG-ZPDKFOGYSA-N -1 1 345.395 2.206 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1cncc2nc[nH]c21)c1ccc(F)cc1 ZINC001601907586 1350395412 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ZINC001604975738 1351043488 /nfs/dbraw/zinc/04/34/88/1351043488.db2.gz XDLDXHAJUUSOEK-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cc1 ZINC001605134413 1351084835 /nfs/dbraw/zinc/08/48/35/1351084835.db2.gz ZJYXCRMGSMKFAR-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001605178232 1351096676 /nfs/dbraw/zinc/09/66/76/1351096676.db2.gz FPKZBOTZUPCHGD-ZDUSSCGKSA-N -1 1 335.404 2.341 20 0 EEADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C[C@H](C)CC(=O)[O-])[nH]1 ZINC001605292804 1351127380 /nfs/dbraw/zinc/12/73/80/1351127380.db2.gz HAUUJRGGQXREAH-JTQLQIEISA-N -1 1 339.392 2.368 20 0 EEADMM CSC1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001605369662 1351146021 /nfs/dbraw/zinc/14/60/21/1351146021.db2.gz TYQNXGKJBVXVPB-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM CSC1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001605369662 1351146022 /nfs/dbraw/zinc/14/60/22/1351146022.db2.gz TYQNXGKJBVXVPB-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM CSc1c(F)cccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001605381168 1351149780 /nfs/dbraw/zinc/14/97/80/1351149780.db2.gz QUVKYZHRZCKLPJ-UHFFFAOYSA-N -1 1 344.375 2.399 20 0 EEADMM CSc1c(F)cccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001605381168 1351149782 /nfs/dbraw/zinc/14/97/82/1351149782.db2.gz QUVKYZHRZCKLPJ-UHFFFAOYSA-N -1 1 344.375 2.399 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(Cc3nccs3)CC2)c1 ZINC001605560433 1351190324 /nfs/dbraw/zinc/19/03/24/1351190324.db2.gz SSBWFWMMJNFBNV-UHFFFAOYSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(Cc3nccs3)CC2)c1 ZINC001605560433 1351190328 /nfs/dbraw/zinc/19/03/28/1351190328.db2.gz SSBWFWMMJNFBNV-UHFFFAOYSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNc2cccc(F)c2)n1 ZINC001605578422 1351193452 /nfs/dbraw/zinc/19/34/52/1351193452.db2.gz LZPLQJCGZBRMHY-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNc2cccc(F)c2)n1 ZINC001605578422 1351193456 /nfs/dbraw/zinc/19/34/56/1351193456.db2.gz LZPLQJCGZBRMHY-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001605795126 1351224598 /nfs/dbraw/zinc/22/45/98/1351224598.db2.gz XBAHEQSGLXCKQL-NOZJJQNGSA-N -1 1 337.387 2.203 20 0 EEADMM Cc1ccc([C@@H](C)CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605830425 1351231195 /nfs/dbraw/zinc/23/11/95/1351231195.db2.gz UPJHZNJFOQAJGG-LBPRGKRZSA-N -1 1 337.387 2.495 20 0 EEADMM Cc1ccc([C@@H](C)CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605830425 1351231196 /nfs/dbraw/zinc/23/11/96/1351231196.db2.gz UPJHZNJFOQAJGG-LBPRGKRZSA-N -1 1 337.387 2.495 20 0 EEADMM Cc1ccc2c(c1)CCCN2Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001605888454 1351247528 /nfs/dbraw/zinc/24/75/28/1351247528.db2.gz HFMIJWOEYAGVLC-UHFFFAOYSA-N -1 1 336.399 2.056 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001605908570 1351251891 /nfs/dbraw/zinc/25/18/91/1351251891.db2.gz FOVCMMXAUGPBCP-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001605908570 1351251893 /nfs/dbraw/zinc/25/18/93/1351251893.db2.gz FOVCMMXAUGPBCP-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H](C)SCc2ccccc2)c1-c1nn[n-]n1 ZINC001606013186 1351263659 /nfs/dbraw/zinc/26/36/59/1351263659.db2.gz GMIXCKSPZMDXSF-SNVBAGLBSA-N -1 1 343.416 2.159 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2Cc3ccccc3C(F)(F)C2)n1 ZINC001606021729 1351264409 /nfs/dbraw/zinc/26/44/09/1351264409.db2.gz ZVFFXPLJLZKGSX-UHFFFAOYSA-N -1 1 329.314 2.077 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2Cc3ccccc3C(F)(F)C2)n1 ZINC001606021729 1351264412 /nfs/dbraw/zinc/26/44/12/1351264412.db2.gz ZVFFXPLJLZKGSX-UHFFFAOYSA-N -1 1 329.314 2.077 20 0 EEADMM Cc1nc(CC(=O)OCc2ccc(-c3nn[n-]n3)s2)c(C)s1 ZINC001606040178 1351265358 /nfs/dbraw/zinc/26/53/58/1351265358.db2.gz GFVNFHBPVXZUMB-UHFFFAOYSA-N -1 1 335.414 2.287 20 0 EEADMM Cc1nc(CC(C)C)c(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001606040448 1351265533 /nfs/dbraw/zinc/26/55/33/1351265533.db2.gz LRWSCVVEOPEXIX-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1nc(CC(C)C)c(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001606040448 1351265534 /nfs/dbraw/zinc/26/55/34/1351265534.db2.gz LRWSCVVEOPEXIX-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Fc1cccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)n1 ZINC001606327777 1351293630 /nfs/dbraw/zinc/29/36/30/1351293630.db2.gz IGIFERLRSJHLNA-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1cccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)n1 ZINC001606327777 1351293634 /nfs/dbraw/zinc/29/36/34/1351293634.db2.gz IGIFERLRSJHLNA-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM COC(=O)c1ccc(CN(CCC(=O)[O-])C[C@@H]2CCCO2)c(F)c1 ZINC001606586521 1351327321 /nfs/dbraw/zinc/32/73/21/1351327321.db2.gz XJMSOWOPPITGFG-AWEZNQCLSA-N -1 1 339.363 2.068 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCOC1CCCCC1 ZINC001606596868 1351329308 /nfs/dbraw/zinc/32/93/08/1351329308.db2.gz YHSZKHOTDXAWHJ-UHFFFAOYSA-N -1 1 345.403 2.087 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCOC1CCCCC1 ZINC001606596868 1351329310 /nfs/dbraw/zinc/32/93/10/1351329310.db2.gz YHSZKHOTDXAWHJ-UHFFFAOYSA-N -1 1 345.403 2.087 20 0 EEADMM COC(=O)c1coc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001606631428 1351334252 /nfs/dbraw/zinc/33/42/52/1351334252.db2.gz RJONFPRDGOIYQR-VIFPVBQESA-N -1 1 336.369 2.210 20 0 EEADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606683646 1351341579 /nfs/dbraw/zinc/34/15/79/1351341579.db2.gz SHGIIPJISQSPLK-ZIAGYGMSSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606683646 1351341585 /nfs/dbraw/zinc/34/15/85/1351341585.db2.gz SHGIIPJISQSPLK-ZIAGYGMSSA-N -1 1 339.355 2.110 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1coc(-c2ccccc2OC)n1 ZINC001606785943 1351356383 /nfs/dbraw/zinc/35/63/83/1351356383.db2.gz CGIWESVVUYKICN-QGZVFWFLSA-N -1 1 334.372 2.320 20 0 EEADMM O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)o1 ZINC001606847015 1351366328 /nfs/dbraw/zinc/36/63/28/1351366328.db2.gz DDJKJZFNLFRVAE-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(NCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)o1 ZINC001606847015 1351366330 /nfs/dbraw/zinc/36/63/30/1351366330.db2.gz DDJKJZFNLFRVAE-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC001606964761 1351386074 /nfs/dbraw/zinc/38/60/74/1351386074.db2.gz AKLXWKNTXHAJOW-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC001606964761 1351386079 /nfs/dbraw/zinc/38/60/79/1351386079.db2.gz AKLXWKNTXHAJOW-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001606965757 1351386258 /nfs/dbraw/zinc/38/62/58/1351386258.db2.gz UQYOCXHTUOLPPU-ZFRGLUTLSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001606965757 1351386262 /nfs/dbraw/zinc/38/62/62/1351386262.db2.gz UQYOCXHTUOLPPU-ZFRGLUTLSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(Oc1ccccc1OC(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606990889 1351394362 /nfs/dbraw/zinc/39/43/62/1351394362.db2.gz YIJRLLRIIIZMCV-UHFFFAOYSA-N -1 1 333.254 2.082 20 0 EEADMM O=C(Oc1ccccc1OC(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606990889 1351394363 /nfs/dbraw/zinc/39/43/63/1351394363.db2.gz YIJRLLRIIIZMCV-UHFFFAOYSA-N -1 1 333.254 2.082 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCO[C@H](c2cccs2)C1 ZINC001607026451 1351400377 /nfs/dbraw/zinc/40/03/77/1351400377.db2.gz BDIOMGHQWAWFRC-JTQLQIEISA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCO[C@H](c2cccs2)C1 ZINC001607026451 1351400380 /nfs/dbraw/zinc/40/03/80/1351400380.db2.gz BDIOMGHQWAWFRC-JTQLQIEISA-N -1 1 347.425 2.203 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(Cl)c(F)c1)CCC2 ZINC001607089463 1351413461 /nfs/dbraw/zinc/41/34/61/1351413461.db2.gz VNLNRPQRHZEFPN-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]2CCCC[C@H]12 ZINC001607099209 1351417182 /nfs/dbraw/zinc/41/71/82/1351417182.db2.gz FOHFOUANJZITDJ-XHNCKOQMSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]2CCCC[C@H]12 ZINC001607099209 1351417185 /nfs/dbraw/zinc/41/71/85/1351417185.db2.gz FOHFOUANJZITDJ-XHNCKOQMSA-N -1 1 340.840 2.106 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC001607133292 1351434790 /nfs/dbraw/zinc/43/47/90/1351434790.db2.gz BMQUDXIQYBXWKE-LLVKDONJSA-N -1 1 332.433 2.118 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC001607133292 1351434791 /nfs/dbraw/zinc/43/47/91/1351434791.db2.gz BMQUDXIQYBXWKE-LLVKDONJSA-N -1 1 332.433 2.118 20 0 EEADMM COc1cc(CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1SC ZINC001607157774 1351440480 /nfs/dbraw/zinc/44/04/80/1351440480.db2.gz MLSUFQMMYRKMKK-GFCCVEGCSA-N -1 1 348.428 2.154 20 0 EEADMM COc1cc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)ccc1C(=O)[O-] ZINC001607174545 1351443088 /nfs/dbraw/zinc/44/30/88/1351443088.db2.gz XFNKXWHMYSYVKJ-ZANVPECISA-N -1 1 329.356 2.421 20 0 EEADMM COc1ccc(-c2nc(CN[C@@]3(CC(=O)[O-])CCOC3)co2)cc1 ZINC001607196812 1351447682 /nfs/dbraw/zinc/44/76/82/1351447682.db2.gz FVQNWFDAZKHSKY-QGZVFWFLSA-N -1 1 332.356 2.074 20 0 EEADMM COc1cccc([C@H](N)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001607312076 1351471080 /nfs/dbraw/zinc/47/10/80/1351471080.db2.gz CROXHPGNWCFISN-KRWDZBQOSA-N -1 1 328.368 2.351 20 0 EEADMM CSCc1n[nH]c(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)n1 ZINC001607401096 1351487874 /nfs/dbraw/zinc/48/78/74/1351487874.db2.gz UWZGPIMBQRPYCM-UHFFFAOYSA-N -1 1 347.322 2.392 20 0 EEADMM CSCc1nnc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)[nH]1 ZINC001607401096 1351487876 /nfs/dbraw/zinc/48/78/76/1351487876.db2.gz UWZGPIMBQRPYCM-UHFFFAOYSA-N -1 1 347.322 2.392 20 0 EEADMM C[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc(O)c1 ZINC001607460732 1351497448 /nfs/dbraw/zinc/49/74/48/1351497448.db2.gz HUEXTAVTUJWRFT-LBPRGKRZSA-N -1 1 328.368 2.404 20 0 EEADMM Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485640 1351502004 /nfs/dbraw/zinc/50/20/04/1351502004.db2.gz JQRPPQUIIKPPBM-GFCCVEGCSA-N -1 1 336.388 2.089 20 0 EEADMM Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485640 1351502006 /nfs/dbraw/zinc/50/20/06/1351502006.db2.gz JQRPPQUIIKPPBM-GFCCVEGCSA-N -1 1 336.388 2.089 20 0 EEADMM Cc1[nH]c(C(=O)COc2ccccc2-c2nnc[nH]2)c(C)c1C(=O)[O-] ZINC001607489801 1351502983 /nfs/dbraw/zinc/50/29/83/1351502983.db2.gz VFZKZUIXMWCEFH-UHFFFAOYSA-N -1 1 340.339 2.377 20 0 EEADMM Cc1[nH]c2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc2c1C ZINC001607499239 1351506228 /nfs/dbraw/zinc/50/62/28/1351506228.db2.gz JKMLSRUHCSUDKG-LBPRGKRZSA-N -1 1 343.427 2.406 20 0 EEADMM Cc1c(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cccc1C(=O)[O-] ZINC001607538423 1351512248 /nfs/dbraw/zinc/51/22/48/1351512248.db2.gz OABBFYNAQUHBBO-UHFFFAOYSA-N -1 1 332.278 2.089 20 0 EEADMM Cc1cc(CN2CCC(F)(F)[C@@H](CO)C2)cc(C)c1OCC(=O)[O-] ZINC001607637699 1351530659 /nfs/dbraw/zinc/53/06/59/1351530659.db2.gz HELXOAHYXJAFEC-CQSZACIVSA-N -1 1 343.370 2.216 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)n[nH]1 ZINC001607637576 1351530816 /nfs/dbraw/zinc/53/08/16/1351530816.db2.gz IQKLZZFZMLKTNE-NSHDSACASA-N -1 1 342.399 2.115 20 0 EEADMM Cc1cc(CNCc2cccc(C(N)=O)c2)cc(C)c1OCC(=O)[O-] ZINC001607648280 1351532947 /nfs/dbraw/zinc/53/29/47/1351532947.db2.gz GZLCOMWEMZFQLP-UHFFFAOYSA-N -1 1 342.395 2.156 20 0 EEADMM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1C(=O)[O-] ZINC001607733498 1351548653 /nfs/dbraw/zinc/54/86/53/1351548653.db2.gz MIMAHAXNBZMFFG-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC001607739333 1351549685 /nfs/dbraw/zinc/54/96/85/1351549685.db2.gz NHCANOQRXKHFOW-GDBMZVCRSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCCC[C@H]1O ZINC001607739333 1351549690 /nfs/dbraw/zinc/54/96/90/1351549690.db2.gz NHCANOQRXKHFOW-GDBMZVCRSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](O)CC(C)(C)C1 ZINC001607741766 1351549921 /nfs/dbraw/zinc/54/99/21/1351549921.db2.gz UBTAGTUAZHAYHT-AWEZNQCLSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC001607741307 1351549961 /nfs/dbraw/zinc/54/99/61/1351549961.db2.gz HMSPQOATPXHAQZ-OAHLLOKOSA-N -1 1 332.400 2.011 20 0 EEADMM Cc1ccccc1[C@@H](C(=O)[O-])N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001607873557 1351576125 /nfs/dbraw/zinc/57/61/25/1351576125.db2.gz CYYQDJKOXQOEPN-KURKYZTESA-N -1 1 327.380 2.245 20 0 EEADMM Cn1cc(C[C@@H]2CCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)cn1 ZINC001608110972 1351627076 /nfs/dbraw/zinc/62/70/76/1351627076.db2.gz PEMHXGGNSNSTJN-LBPRGKRZSA-N -1 1 339.399 2.059 20 0 EEADMM Cn1nc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1C(F)F ZINC001608141114 1351633364 /nfs/dbraw/zinc/63/33/64/1351633364.db2.gz UTLGCSVHNNSXLH-UHFFFAOYSA-N -1 1 335.270 2.185 20 0 EEADMM O=C([O-])[C@H](NCC(=O)NCc1ccccc1OC1CCCC1)C1CC1 ZINC001608341306 1351674521 /nfs/dbraw/zinc/67/45/21/1351674521.db2.gz VODFWTVPVXFHBA-GOSISDBHSA-N -1 1 346.427 2.077 20 0 EEADMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N[N-]C(=O)c1ccccn1 ZINC000028776032 1352375103 /nfs/dbraw/zinc/37/51/03/1352375103.db2.gz WRFOYYKCKKVFLR-UHFFFAOYSA-N -1 1 347.440 2.311 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cnn2ccncc12 ZINC001624607805 1352425849 /nfs/dbraw/zinc/42/58/49/1352425849.db2.gz AKRCDHFCWDVTRL-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM COc1cc(F)c(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)c(F)c1 ZINC001626420153 1352462632 /nfs/dbraw/zinc/46/26/32/1352462632.db2.gz FYSDUMXVAQEZAI-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cccc2cc(C(=O)N[C@@H](CCSC)c3nn[n-]n3)oc21 ZINC001629930979 1352560729 /nfs/dbraw/zinc/56/07/29/1352560729.db2.gz AFKDNWRBFFXCLF-JTQLQIEISA-N -1 1 347.400 2.179 20 0 EEADMM CCOC(=O)c1nc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c[nH]1 ZINC001631330223 1352582288 /nfs/dbraw/zinc/58/22/88/1352582288.db2.gz XXTNIPITMLCKLB-UHFFFAOYSA-N -1 1 341.323 2.403 20 0 EEADMM CCC(CC)(NC(=O)c1cn(C)c2ccc(F)cc12)c1nn[n-]n1 ZINC001635937738 1352655505 /nfs/dbraw/zinc/65/55/05/1352655505.db2.gz RWNCERBANIGCGJ-UHFFFAOYSA-N -1 1 330.367 2.276 20 0 EEADMM O=C(Cn1ccc2ccccc21)OCC(=O)c1ccc([O-])cc1O ZINC000052375188 1352680120 /nfs/dbraw/zinc/68/01/20/1352680120.db2.gz FCPUCPUDARKWIE-UHFFFAOYSA-N -1 1 325.320 2.479 20 0 EEADMM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001646983598 1353089209 /nfs/dbraw/zinc/08/92/09/1353089209.db2.gz HURACTBAWTVCAR-CABCVRRESA-N -1 1 345.472 2.474 20 0 EEADMM CCOc1cc(C(=O)NC2(C)CN(C(=O)OC)C2)cc(Cl)c1[O-] ZINC001650209474 1353776316 /nfs/dbraw/zinc/77/63/16/1353776316.db2.gz NQOCVKSKYQXEOM-UHFFFAOYSA-N -1 1 342.779 2.015 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCCC(CC)(CC)CC1 ZINC001650295194 1353829180 /nfs/dbraw/zinc/82/91/80/1353829180.db2.gz DGSSSXGGXAYWHN-UHFFFAOYSA-N -1 1 332.456 2.199 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCCC(CC)(CC)CC1 ZINC001650295194 1353829183 /nfs/dbraw/zinc/82/91/83/1353829183.db2.gz DGSSSXGGXAYWHN-UHFFFAOYSA-N -1 1 332.456 2.199 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000096743773 1358001863 /nfs/dbraw/zinc/00/18/63/1358001863.db2.gz LSLMYDSTQOTWHT-UHFFFAOYSA-N -1 1 338.316 2.070 20 0 EEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000077701947 1354659210 /nfs/dbraw/zinc/65/92/10/1354659210.db2.gz LXUBLMGUTYPHMB-UHFFFAOYSA-N -1 1 341.392 2.395 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(F)cc1C ZINC001388239293 1387275920 /nfs/dbraw/zinc/27/59/20/1387275920.db2.gz DJRCRHNZHSPESL-UHFFFAOYSA-N -1 1 345.374 2.127 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)nn1 ZINC000815437095 1368000592 /nfs/dbraw/zinc/00/05/92/1368000592.db2.gz AJYRTJSZONJYHX-UHFFFAOYSA-N -1 1 332.699 2.299 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)c1c[nH]c(C)c1)c1ccccc1N ZINC001188200863 1368286319 /nfs/dbraw/zinc/28/63/19/1368286319.db2.gz HNRWSXDMADFGJI-UHFFFAOYSA-N -1 1 332.385 2.193 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)c1c[nH]c(C)c1)c1ccccc1N ZINC001188200863 1368286323 /nfs/dbraw/zinc/28/63/23/1368286323.db2.gz HNRWSXDMADFGJI-UHFFFAOYSA-N -1 1 332.385 2.193 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)NC(=O)C1CCCC1 ZINC001389129001 1387935734 /nfs/dbraw/zinc/93/57/34/1387935734.db2.gz NRDQIDTYOVWUKZ-LLVKDONJSA-N -1 1 348.447 2.039 20 0 EEADMM C[C@@H](CN(C)C(=O)CCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001487699172 1368712692 /nfs/dbraw/zinc/71/26/92/1368712692.db2.gz NZVWLOQBGJBKLJ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC1=NO[C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000867347352 1368714008 /nfs/dbraw/zinc/71/40/08/1368714008.db2.gz YVYSUDCHBIPLNM-ZCFIWIBFSA-N -1 1 329.230 2.498 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@@H](F)C1)c1c(F)cccc1Br ZINC001201047814 1368778199 /nfs/dbraw/zinc/77/81/99/1368778199.db2.gz HVAMPVPFLDSUNW-KNVOCYPGSA-N -1 1 326.162 2.367 20 0 EEADMM O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc([O-])cc1O ZINC000053361649 1369802930 /nfs/dbraw/zinc/80/29/30/1369802930.db2.gz CYSRWIHJWCVCDG-UHFFFAOYSA-N -1 1 341.319 2.022 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(C)c1 ZINC000057502687 1369809179 /nfs/dbraw/zinc/80/91/79/1369809179.db2.gz AEKVJPCTBNEKGR-UHFFFAOYSA-N -1 1 346.408 2.358 20 0 EEADMM COc1ccccc1CO[N-]C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000799090981 1371628197 /nfs/dbraw/zinc/62/81/97/1371628197.db2.gz ADICYBXLTYUJQT-AWEZNQCLSA-N -1 1 332.400 2.034 20 0 EEADMM O=S(=O)([N-]Cc1nc(C2CC2)no1)c1cc2cc(F)ccc2o1 ZINC000830091429 1372308119 /nfs/dbraw/zinc/30/81/19/1372308119.db2.gz BZTODWFCBBFDMS-UHFFFAOYSA-N -1 1 337.332 2.311 20 0 EEADMM CCO[C@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccccc1 ZINC000831299960 1372372210 /nfs/dbraw/zinc/37/22/10/1372372210.db2.gz WMABYRZEERECPW-LLVKDONJSA-N -1 1 329.809 2.119 20 0 EEADMM Cc1[nH]c(CN2CC[C@H](Oc3nccnc3C)C2)c(C)c1C(=O)[O-] ZINC001140499318 1372588580 /nfs/dbraw/zinc/58/85/80/1372588580.db2.gz PFKBSOIVXLDPLZ-ZDUSSCGKSA-N -1 1 330.388 2.081 20 0 EEADMM CCCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000835833897 1372659699 /nfs/dbraw/zinc/65/96/99/1372659699.db2.gz QWEHZWLTNQUCEF-HNNXBMFYSA-N -1 1 326.462 2.030 20 0 EEADMM O=C(c1cccnc1)N1CCN(Cc2cc(F)c([O-])c(F)c2)CC1 ZINC001140990745 1372731040 /nfs/dbraw/zinc/73/10/40/1372731040.db2.gz PSLGNIZOESSKRJ-UHFFFAOYSA-N -1 1 333.338 2.023 20 0 EEADMM NC(=O)CSc1ccccc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC001355828437 1373176460 /nfs/dbraw/zinc/17/64/60/1373176460.db2.gz IGKBINNSUGPZTH-UHFFFAOYSA-N -1 1 344.352 2.159 20 0 EEADMM CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001361755203 1373333421 /nfs/dbraw/zinc/33/34/21/1373333421.db2.gz JAICCSSIUMLNLE-UHFFFAOYSA-N -1 1 332.787 2.346 20 0 EEADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])cn1 ZINC001362222444 1373379965 /nfs/dbraw/zinc/37/99/65/1373379965.db2.gz PRHYBGWOSAUGBG-MRXNPFEDSA-N -1 1 342.395 2.470 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(=O)[n-]1 ZINC001362294851 1373389198 /nfs/dbraw/zinc/38/91/98/1373389198.db2.gz DKEOUPGZEVSZRR-NSHDSACASA-N -1 1 335.360 2.297 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)c1ccccc1 ZINC001364996427 1373644994 /nfs/dbraw/zinc/64/49/94/1373644994.db2.gz GRDAGFBQXDUVNF-ZDUSSCGKSA-N -1 1 325.411 2.249 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1ccccc1 ZINC001365092152 1373666963 /nfs/dbraw/zinc/66/69/63/1373666963.db2.gz LXZASKLLTNVYGJ-AAEUAGOBSA-N -1 1 343.349 2.428 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1c[nH]cc1C ZINC001370057363 1374773982 /nfs/dbraw/zinc/77/39/82/1374773982.db2.gz GHNAAYBOTPKNMZ-ZDUSSCGKSA-N -1 1 344.415 2.142 20 0 EEADMM CCC[C@](C)(CC)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372011150 1375713855 /nfs/dbraw/zinc/71/38/55/1375713855.db2.gz GCXQAEKGLHZBPN-ACJLOTCBSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC1(C(=O)N(C)[C@H](C)CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001374304710 1376658562 /nfs/dbraw/zinc/65/85/62/1376658562.db2.gz UHTLUZMWXAMDCY-CYBMUJFWSA-N -1 1 337.468 2.053 20 0 EEADMM CC[C@H](CNC(=O)c1ccsc1C)NC(=O)c1ncccc1[O-] ZINC001375077132 1377347664 /nfs/dbraw/zinc/34/76/64/1377347664.db2.gz WDIRJVRJENIFAE-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CC[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)NC(=O)C1(C)CC1 ZINC001375170397 1377455602 /nfs/dbraw/zinc/45/56/02/1377455602.db2.gz DWJJMPLYFDOSEC-LBPRGKRZSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1cc(C)c(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001375698816 1377932333 /nfs/dbraw/zinc/93/23/33/1377932333.db2.gz WCADAKZKTXJTMG-JTQLQIEISA-N -1 1 347.440 2.261 20 0 EEADMM CC1(CNC(=O)c2ncccc2[O-])CCN(Cc2nccs2)CC1 ZINC001375914895 1378149244 /nfs/dbraw/zinc/14/92/44/1378149244.db2.gz WCWHHGPJUQQUDK-UHFFFAOYSA-N -1 1 346.456 2.276 20 0 EEADMM CCCC1(C(=O)N2CCC(CN(C)Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001377786247 1379517604 /nfs/dbraw/zinc/51/76/04/1379517604.db2.gz AXIDWDBCIZQFGF-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCCCCC1 ZINC001378072871 1379684778 /nfs/dbraw/zinc/68/47/78/1379684778.db2.gz JMNSMLVCGJJQPF-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)C(C)(C)C(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001383412093 1382474817 /nfs/dbraw/zinc/47/48/17/1382474817.db2.gz QHOLNGQQPKIIMA-UHFFFAOYSA-N -1 1 333.432 2.189 20 0 EEADMM CCCC1(C(=O)N2CC3(C2)CCN(C(=O)c2ncccc2[O-])C3)CC1 ZINC001383618136 1382596557 /nfs/dbraw/zinc/59/65/57/1382596557.db2.gz MGXBXDUKUVDFBA-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384535290 1384545126 /nfs/dbraw/zinc/54/51/26/1384545126.db2.gz NTEIDEAYDUREEP-GHMZBOCLSA-N -1 1 348.447 2.119 20 0 EEADMM CCC(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001386221841 1386019121 /nfs/dbraw/zinc/01/91/21/1386019121.db2.gz IZONQWUJTUDROG-GOOCMWNKSA-N -1 1 345.443 2.475 20 0 EEADMM CCCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387540793 1386818606 /nfs/dbraw/zinc/81/86/06/1386818606.db2.gz NCRCIHIQKJRPPU-AWEZNQCLSA-N -1 1 327.384 2.175 20 0 EEADMM CC[C@H](CNC(=O)c1cc(C)cc(F)c1)NC(=O)c1ncccc1[O-] ZINC001388192241 1387241332 /nfs/dbraw/zinc/24/13/32/1387241332.db2.gz DFDMPHDLZYZRBI-CQSZACIVSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001391241734 1389161501 /nfs/dbraw/zinc/16/15/01/1389161501.db2.gz IYQGKHUZXZXGKA-KGLIPLIRSA-N -1 1 347.459 2.486 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001391806080 1389616289 /nfs/dbraw/zinc/61/62/89/1389616289.db2.gz GXWAHQAXHFBDGV-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)c1cnc(CN(C)[C@@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001394067336 1390601218 /nfs/dbraw/zinc/60/12/18/1390601218.db2.gz SYJJTUDBAGWFNV-LBPRGKRZSA-N -1 1 332.404 2.149 20 0 EEADMM C[C@H](CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001394873681 1390763093 /nfs/dbraw/zinc/76/30/93/1390763093.db2.gz HMWBDBKMGJUWLA-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CC(C)(C)C1CC1 ZINC001395063290 1390780100 /nfs/dbraw/zinc/78/01/00/1390780100.db2.gz DQJWLELOUHNRIW-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ncccc4[O-])[C@@H]3C2)CC1 ZINC001396445209 1390942429 /nfs/dbraw/zinc/94/24/29/1390942429.db2.gz QZXOMFZSBQRTHG-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(CCC1CC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001396457818 1390943957 /nfs/dbraw/zinc/94/39/57/1390943957.db2.gz VDGHMASBZFRWKW-ZIAGYGMSSA-N -1 1 331.416 2.135 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCC1 ZINC001397298081 1391151691 /nfs/dbraw/zinc/15/16/91/1391151691.db2.gz ISGXPDJUSWZXHG-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM CCC(CC)C(=O)N(CC)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001398088438 1391682895 /nfs/dbraw/zinc/68/28/95/1391682895.db2.gz SXKYGQVJKVLNSF-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM CC1(CCC(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001398506550 1393096367 /nfs/dbraw/zinc/09/63/67/1393096367.db2.gz FHSJFINNZXHRBY-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001399992899 1395781265 /nfs/dbraw/zinc/78/12/65/1395781265.db2.gz IFVYSYVEINLPEQ-ZIAGYGMSSA-N -1 1 341.411 2.134 20 0 EEADMM Cc1cccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)c1 ZINC001427900374 1402554071 /nfs/dbraw/zinc/55/40/71/1402554071.db2.gz WQNVGFMLIMWPBD-OAHLLOKOSA-N -1 1 339.395 2.034 20 0 EEADMM C[C@@H](C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CCC1 ZINC001428366752 1402692887 /nfs/dbraw/zinc/69/28/87/1402692887.db2.gz KVTYQNMDSNLGFG-DOMZBBRYSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])cc1 ZINC001429011165 1402873589 /nfs/dbraw/zinc/87/35/89/1402873589.db2.gz FMKKNZMSLFQBEH-CYBMUJFWSA-N -1 1 327.384 2.034 20 0 EEADMM CC(C)c1ccoc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431439461 1403068784 /nfs/dbraw/zinc/06/87/84/1403068784.db2.gz KYPREGRBXLZOJW-UHFFFAOYSA-N -1 1 331.372 2.006 20 0 EEADMM CCN(C(=O)CC1CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001432547617 1403252413 /nfs/dbraw/zinc/25/24/13/1403252413.db2.gz PTDVZVPWCHPLLK-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CSc1ncc(C(=O)NC2CCC3(CCOCC3)CC2)c(=O)[n-]1 ZINC001433760917 1403429243 /nfs/dbraw/zinc/42/92/43/1403429243.db2.gz NOTYBXHPUSZRCN-UHFFFAOYSA-N -1 1 337.445 2.373 20 0 EEADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC001576344307 1403566668 /nfs/dbraw/zinc/56/66/68/1403566668.db2.gz DNRFCQMALSXLEC-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM CCCCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577399518 1403645326 /nfs/dbraw/zinc/64/53/26/1403645326.db2.gz RJMVAQBGQUVOFD-LLVKDONJSA-N -1 1 349.464 2.082 20 0 EEADMM COc1ccc(Cl)cc1CCNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001580032721 1403812404 /nfs/dbraw/zinc/81/24/04/1403812404.db2.gz HXEBYSAQEUDSKX-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM COc1ccc(Cl)cc1CCNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001580032721 1403812418 /nfs/dbraw/zinc/81/24/18/1403812418.db2.gz HXEBYSAQEUDSKX-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM Cc1ccc(F)c(OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581205074 1403877704 /nfs/dbraw/zinc/87/77/04/1403877704.db2.gz TWXGLFJGVPGBNR-UHFFFAOYSA-N -1 1 347.375 2.071 20 0 EEADMM CCCC[C@H](CC)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590579267 1403889317 /nfs/dbraw/zinc/88/93/17/1403889317.db2.gz KDXQZTMDEHBCHY-JTQLQIEISA-N -1 1 343.478 2.423 20 0 EEADMM CCCC[C@H](CC)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590579267 1403889327 /nfs/dbraw/zinc/88/93/27/1403889327.db2.gz KDXQZTMDEHBCHY-JTQLQIEISA-N -1 1 343.478 2.423 20 0 EEADMM COCCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H](C)C1 ZINC001591420771 1403910801 /nfs/dbraw/zinc/91/08/01/1403910801.db2.gz HMHRTVAHBNACKT-CMPLNLGQSA-N -1 1 335.433 2.205 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)c2ccccc2O1 ZINC001591752210 1403944079 /nfs/dbraw/zinc/94/40/79/1403944079.db2.gz CUVQPICLCITNNQ-MWLCHTKSSA-N -1 1 325.328 2.102 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)c2ccccc2O1 ZINC001591752210 1403944089 /nfs/dbraw/zinc/94/40/89/1403944089.db2.gz CUVQPICLCITNNQ-MWLCHTKSSA-N -1 1 325.328 2.102 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(C)c2Cl)nn1C ZINC001592133181 1404002854 /nfs/dbraw/zinc/00/28/54/1404002854.db2.gz YVFRAWGRTYAHSF-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(C)c2Cl)nn1C ZINC001592133181 1404002862 /nfs/dbraw/zinc/00/28/62/1404002862.db2.gz YVFRAWGRTYAHSF-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCCC12CCOCC2 ZINC001592500414 1404705033 /nfs/dbraw/zinc/70/50/33/1404705033.db2.gz AZFQNOZIVFIHTE-CYBMUJFWSA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCCC12CCOCC2 ZINC001592500414 1404705045 /nfs/dbraw/zinc/70/50/45/1404705045.db2.gz AZFQNOZIVFIHTE-CYBMUJFWSA-N -1 1 332.360 2.274 20 0 EEADMM O=C(NCC12CCC(CC1)C2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593021623 1404733580 /nfs/dbraw/zinc/73/35/80/1404733580.db2.gz MDMURWHSNZJGND-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCC12CCC(CC1)C2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593021623 1404733584 /nfs/dbraw/zinc/73/35/84/1404733584.db2.gz MDMURWHSNZJGND-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM Cc1nc(Nc2ccc3c(c2)[C@@H](O)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001606078943 1404764414 /nfs/dbraw/zinc/76/44/14/1404764414.db2.gz FQOGXGMDTFNZBA-HNNXBMFYSA-N -1 1 337.387 2.469 20 0 EEADMM Cc1nc(Nc2ccc3c(c2)[C@@H](O)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001606078943 1404764416 /nfs/dbraw/zinc/76/44/16/1404764416.db2.gz FQOGXGMDTFNZBA-HNNXBMFYSA-N -1 1 337.387 2.469 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001606326963 1404792702 /nfs/dbraw/zinc/79/27/02/1404792702.db2.gz OKUSJTWVAKPGIX-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001606326963 1404792708 /nfs/dbraw/zinc/79/27/08/1404792708.db2.gz OKUSJTWVAKPGIX-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1ccc(N2CC[C@H](CNc3cccnc3-c3nnn[n-]3)C2)cc1 ZINC001606321908 1404793744 /nfs/dbraw/zinc/79/37/44/1404793744.db2.gz IXVVNBQUEKUXPU-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM Fc1ccc(N2CC[C@H](CNc3cccnc3-c3nn[n-]n3)C2)cc1 ZINC001606321908 1404793750 /nfs/dbraw/zinc/79/37/50/1404793750.db2.gz IXVVNBQUEKUXPU-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC001606414387 1404809395 /nfs/dbraw/zinc/80/93/95/1404809395.db2.gz QKZYPQSCOAKZNS-QMTHXVAHSA-N -1 1 341.791 2.187 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)cc1Cl ZINC000171337780 1405729903 /nfs/dbraw/zinc/72/99/03/1405729903.db2.gz HUDBBYQSIRJZSA-UHFFFAOYSA-N -1 1 344.742 2.394 20 0 EEADMM CC(C)=CC(=O)N[C@H](C)CCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001756271766 1408274959 /nfs/dbraw/zinc/27/49/59/1408274959.db2.gz JVQXIHZRFWCDGY-GFCCVEGCSA-N -1 1 346.431 2.041 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001756622666 1409152630 /nfs/dbraw/zinc/15/26/30/1409152630.db2.gz GSOCDUGLAUZRCI-XZVYODRBSA-N -1 1 343.427 2.419 20 0 EEADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc([O-])cc2F)c1C ZINC000391574166 1410208389 /nfs/dbraw/zinc/20/83/89/1410208389.db2.gz WXXXWGDNCYQBRI-UHFFFAOYSA-N -1 1 338.360 2.048 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCC(C)(C)C1=O ZINC000840225488 782435234 /nfs/dbraw/zinc/43/52/34/782435234.db2.gz YQQBRUMZMAVKCR-ZDUSSCGKSA-N -1 1 339.413 2.363 20 0 EEADMM C[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)CNc1cccc(F)n1 ZINC001104232639 757366153 /nfs/dbraw/zinc/36/61/53/757366153.db2.gz RMAWQTKJAUJZNB-SNVBAGLBSA-N -1 1 345.378 2.072 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC001167253727 757578737 /nfs/dbraw/zinc/57/87/37/757578737.db2.gz WUPLANIUNRMPOF-GXFFZTMASA-N -1 1 343.349 2.459 20 0 EEADMM C[C@H]1C[C@@H]1CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715594 769084065 /nfs/dbraw/zinc/08/40/65/769084065.db2.gz CQOJMFGHBKIKRR-XQLPTFJDSA-N -1 1 345.443 2.238 20 0 EEADMM CCc1cc(C)nc(N(C)CCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001112081365 769118805 /nfs/dbraw/zinc/11/88/05/769118805.db2.gz QBUQVIXEEKZQFU-UHFFFAOYSA-N -1 1 343.431 2.047 20 0 EEADMM O=C(N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)C(F)=C1CCCC1 ZINC000979666589 770811641 /nfs/dbraw/zinc/81/16/41/770811641.db2.gz XEOTUJUKIBRLAZ-AULYBMBSSA-N -1 1 347.390 2.209 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979678989 770868921 /nfs/dbraw/zinc/86/89/21/770868921.db2.gz IJXBTNLGUGVAPR-BFHYXJOUSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@H](F)CN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001089626103 773573325 /nfs/dbraw/zinc/57/33/25/773573325.db2.gz YUMPQPZGJSNMGF-STQMWFEESA-N -1 1 340.443 2.392 20 0 EEADMM CSc1nsc([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)n1 ZINC000175523616 773622763 /nfs/dbraw/zinc/62/27/63/773622763.db2.gz XAUQJEBBCVCRMX-UHFFFAOYSA-N -1 1 336.377 2.232 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC000942756911 783142853 /nfs/dbraw/zinc/14/28/53/783142853.db2.gz TVUWQFXZLVISRR-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000942757942 783145103 /nfs/dbraw/zinc/14/51/03/783145103.db2.gz JITVMQWDTCIFSJ-BMOGTNHUSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000980339614 774371041 /nfs/dbraw/zinc/37/10/41/774371041.db2.gz FOFUETNISMNBQN-APIJFGDWSA-N -1 1 345.443 2.238 20 0 EEADMM CCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC001078925542 783223756 /nfs/dbraw/zinc/22/37/56/783223756.db2.gz PUVGAXYTOBRPAB-AWEZNQCLSA-N -1 1 333.432 2.431 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccnc(C(F)(F)F)c1 ZINC000809585236 783229994 /nfs/dbraw/zinc/22/99/94/783229994.db2.gz FOIKXFVVKXLDFF-UHFFFAOYSA-N -1 1 325.172 2.490 20 0 EEADMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000921497043 775987116 /nfs/dbraw/zinc/98/71/16/775987116.db2.gz GAMUTYHEZPVJAB-XPUUQOCRSA-N -1 1 328.192 2.446 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC000939645228 777058370 /nfs/dbraw/zinc/05/83/70/777058370.db2.gz OWNVGDWYMZVXLY-ZDUSSCGKSA-N -1 1 349.406 2.133 20 0 EEADMM Cc1ccc(C(=O)OCCc2c(C)nc3[n-]cnn3c2=O)cc1Cl ZINC000182001671 778171551 /nfs/dbraw/zinc/17/15/51/778171551.db2.gz PLQATVPCJQVPCF-UHFFFAOYSA-N -1 1 346.774 2.087 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940831718 779376718 /nfs/dbraw/zinc/37/67/18/779376718.db2.gz LFXBATOKEGWGIB-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000940832708 779378667 /nfs/dbraw/zinc/37/86/67/779378667.db2.gz NFWKMJFAYSDFHK-LIRRHRJNSA-N -1 1 343.427 2.042 20 0 EEADMM Cc1cc2cnc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)nc2[nH]1 ZINC001167931666 780964096 /nfs/dbraw/zinc/96/40/96/780964096.db2.gz HEOOLOJOTRKUKP-UHFFFAOYSA-N -1 1 344.311 2.303 20 0 EEADMM Cn1ccc2nc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)ncc21 ZINC001167932948 780976362 /nfs/dbraw/zinc/97/63/62/780976362.db2.gz BOKXRJISIDGDEX-UHFFFAOYSA-N -1 1 344.311 2.053 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(C/C(Cl)=C/Cl)C[C@H]21 ZINC001075722357 781212259 /nfs/dbraw/zinc/21/22/59/781212259.db2.gz PAZLYHGBXOKHKH-VXIQVKHPSA-N -1 1 342.226 2.253 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1cncc(F)c1 ZINC001087552312 781812992 /nfs/dbraw/zinc/81/29/92/781812992.db2.gz YCPBWBIQTRQLFY-LSDHHAIUSA-N -1 1 344.390 2.104 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1ncc(C)s1 ZINC001087552807 781815239 /nfs/dbraw/zinc/81/52/39/781815239.db2.gz ZHBMYZMQJABYKC-QWHCGFSZSA-N -1 1 346.456 2.335 20 0 EEADMM CC(C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1)=C1CCC1 ZINC000945311864 783831422 /nfs/dbraw/zinc/83/14/22/783831422.db2.gz LDCLOMNDNBODDQ-SWLSCSKDSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(F)(F)F ZINC000906988019 784303786 /nfs/dbraw/zinc/30/37/86/784303786.db2.gz VUPIKKRNZJSXQX-BYPYZUCNSA-N -1 1 349.689 2.406 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(OC(F)F)c(Cl)c1)c1nn[n-]n1 ZINC000907351159 784557375 /nfs/dbraw/zinc/55/73/75/784557375.db2.gz ZKAWCBIEAJZOJD-SSDOTTSWSA-N -1 1 345.737 2.330 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478770 784648015 /nfs/dbraw/zinc/64/80/15/784648015.db2.gz ZHTZYRFOBWKSNK-OLZOCXBDSA-N -1 1 349.485 2.387 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478845 784686241 /nfs/dbraw/zinc/68/62/41/784686241.db2.gz WSOFZIWQRLRPSM-PMUGQKEBSA-N -1 1 340.412 2.011 20 0 EEADMM CC[C@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907480590 784686810 /nfs/dbraw/zinc/68/68/10/784686810.db2.gz UQJFUXFHRMPQKT-UONOGXRCSA-N -1 1 347.444 2.019 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1C ZINC000907480804 784687769 /nfs/dbraw/zinc/68/77/69/784687769.db2.gz DKLHPNHKXWZNMO-ZNMIVQPWSA-N -1 1 343.456 2.237 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CC=CC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945746788 784759922 /nfs/dbraw/zinc/75/99/22/784759922.db2.gz IABWCTKJASPBBI-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000946326826 791073826 /nfs/dbraw/zinc/07/38/26/791073826.db2.gz DLRBUZCWUBLSRO-KBPBESRZSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1nc(Cl)cc(NC[C@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063474706 791089565 /nfs/dbraw/zinc/08/95/65/791089565.db2.gz QRDRUHYKNUBXSD-LLVKDONJSA-N -1 1 347.806 2.256 20 0 EEADMM Cn1c2ccccc2sc1=NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908278201 785293017 /nfs/dbraw/zinc/29/30/17/785293017.db2.gz HMWZOSXRMVVIMO-UHFFFAOYSA-N -1 1 326.381 2.354 20 0 EEADMM CC(C)(C)C1CCC(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1 ZINC000819620268 785618888 /nfs/dbraw/zinc/61/88/88/785618888.db2.gz LXCPSFVIALAAJH-UHFFFAOYSA-N -1 1 349.479 2.252 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccs1)N(C)C)C1CCC1 ZINC000908745970 785684522 /nfs/dbraw/zinc/68/45/22/785684522.db2.gz GJSNCYZZWLTDCS-WCQYABFASA-N -1 1 339.461 2.388 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000908748388 785688308 /nfs/dbraw/zinc/68/83/08/785688308.db2.gz VZKNVNDKVYAIKP-RBSFLKMASA-N -1 1 349.431 2.311 20 0 EEADMM O=C([O-])C1(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000908776811 785697085 /nfs/dbraw/zinc/69/70/85/785697085.db2.gz VAUMVTHLAWOUMN-UHFFFAOYSA-N -1 1 349.406 2.097 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000908762116 785707600 /nfs/dbraw/zinc/70/76/00/785707600.db2.gz COEKTQQTKGDWHF-INIZCTEOSA-N -1 1 346.427 2.348 20 0 EEADMM CCCCCC[C@](C)(NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(=O)[O-] ZINC000908889022 785829141 /nfs/dbraw/zinc/82/91/41/785829141.db2.gz KJSNIAIWZBHFBH-GUYCJALGSA-N -1 1 325.453 2.336 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@@H](CC2CC2)C(=O)[O-])N2CCCC2)o1 ZINC000908924929 785873411 /nfs/dbraw/zinc/87/34/11/785873411.db2.gz JTEHGNXECSZPGC-GJZGRUSLSA-N -1 1 349.431 2.277 20 0 EEADMM CC[C@@](C)(NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908926839 785875526 /nfs/dbraw/zinc/87/55/26/785875526.db2.gz VJZBBSYWAXEVAF-SUMWQHHRSA-N -1 1 337.420 2.277 20 0 EEADMM COc1cccc([C@H](NCc2cc(C(F)(F)F)nn2C)C(=O)[O-])c1 ZINC000901749559 785885885 /nfs/dbraw/zinc/88/58/85/785885885.db2.gz BWFFOIQNPUNZQA-ZDUSSCGKSA-N -1 1 343.305 2.363 20 0 EEADMM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CCc1cnc[nH]1 ZINC000908973686 785891434 /nfs/dbraw/zinc/89/14/34/785891434.db2.gz MMVKMCYDLOVJDU-UHFFFAOYSA-N -1 1 337.326 2.124 20 0 EEADMM Cc1ccc2nc(CNC(=O)N(CC(=O)[O-])C3CCCC3)[nH]c2c1 ZINC000909011102 785911435 /nfs/dbraw/zinc/91/14/35/785911435.db2.gz ZPLPIRGCMZMWQQ-UHFFFAOYSA-N -1 1 330.388 2.410 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)CCn2cccn2)c1 ZINC000820514866 785951511 /nfs/dbraw/zinc/95/15/11/785951511.db2.gz GZBKJQPISMSEMI-NPMABZOXSA-N -1 1 336.413 2.021 20 0 EEADMM Cc1ccc2ncnc(NC/C=C/CNC(=O)c3ncccc3[O-])c2c1 ZINC001107139055 785967739 /nfs/dbraw/zinc/96/77/39/785967739.db2.gz GQRNGDZKPOSEOI-NSCUHMNNSA-N -1 1 349.394 2.437 20 0 EEADMM CC(C)c1nsc(NC/C=C/CNC(=O)c2ncccc2[O-])n1 ZINC001107140062 786018631 /nfs/dbraw/zinc/01/86/31/786018631.db2.gz WLEXJYDZBFIJLZ-ONEGZZNKSA-N -1 1 333.417 2.160 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1 ZINC000909903568 786334631 /nfs/dbraw/zinc/33/46/31/786334631.db2.gz KPFPJUOTYFMMTD-LSDHHAIUSA-N -1 1 334.416 2.304 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000909960676 786363042 /nfs/dbraw/zinc/36/30/42/786363042.db2.gz ZIZAAYAZZBMNSI-NSHDSACASA-N -1 1 345.226 2.406 20 0 EEADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979707 786372041 /nfs/dbraw/zinc/37/20/41/786372041.db2.gz SZEAJHRTSIRRLR-ZCFIWIBFSA-N -1 1 341.343 2.111 20 0 EEADMM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)c1[nH]nc2c1CCC2 ZINC000910066935 786428020 /nfs/dbraw/zinc/42/80/20/786428020.db2.gz BTRSECNFTRBXNW-QGZVFWFLSA-N -1 1 349.390 2.477 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCCc2cscn2)c1 ZINC000820994770 786553797 /nfs/dbraw/zinc/55/37/97/786553797.db2.gz SHOSITPXDIJBDI-QFIPXVFZSA-N -1 1 339.438 2.435 20 0 EEADMM CCN1CCN(CC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC000910243918 786569046 /nfs/dbraw/zinc/56/90/46/786569046.db2.gz GCYNWQALXAIOTR-UHFFFAOYSA-N -1 1 341.411 2.114 20 0 EEADMM CN(CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C1CCC1 ZINC000910315810 786645701 /nfs/dbraw/zinc/64/57/01/786645701.db2.gz RXXPBPPUOMYQNT-KRWDZBQOSA-N -1 1 338.835 2.326 20 0 EEADMM Cc1nc(N2CCN([C@@H](C)c3ccccc3)CC2)ncc1C(=O)[O-] ZINC000910372048 786701989 /nfs/dbraw/zinc/70/19/89/786701989.db2.gz FUAUTMHUQQIZRK-AWEZNQCLSA-N -1 1 326.400 2.366 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2ncc(C)s2)c1 ZINC000821351367 786711149 /nfs/dbraw/zinc/71/11/49/786711149.db2.gz AXGOBFKOWBLMPO-NRFANRHFSA-N -1 1 325.411 2.311 20 0 EEADMM CCN(Cc1c(O)c(C)ncc1CO)C(=O)c1cc(F)ccc1[O-] ZINC000910539621 786856899 /nfs/dbraw/zinc/85/68/99/786856899.db2.gz UFMKBSNRCGPONM-UHFFFAOYSA-N -1 1 334.347 2.095 20 0 EEADMM CN1CCN(C(=O)c2cccc(CC(=O)[O-])c2)C2(CCCCC2)C1 ZINC000910687989 786981714 /nfs/dbraw/zinc/98/17/14/786981714.db2.gz QEVCVNRMDGIBFX-UHFFFAOYSA-N -1 1 330.428 2.404 20 0 EEADMM Cc1sc([C@@H]2CCCN2C(=O)[C@H](C)Cc2cnc[nH]2)nc1C(=O)[O-] ZINC000910721639 786992418 /nfs/dbraw/zinc/99/24/18/786992418.db2.gz VPGNHXRBFFGDGI-SKDRFNHKSA-N -1 1 348.428 2.415 20 0 EEADMM CCCc1cc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)n[nH]1 ZINC000911031588 787202195 /nfs/dbraw/zinc/20/21/95/787202195.db2.gz QIXNNLBDARJARN-UHFFFAOYSA-N -1 1 329.356 2.095 20 0 EEADMM CN1CCCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000911062334 787224723 /nfs/dbraw/zinc/22/47/23/787224723.db2.gz VLOOQKCNSQUSCB-QWHCGFSZSA-N -1 1 344.333 2.432 20 0 EEADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000911064504 787227222 /nfs/dbraw/zinc/22/72/22/787227222.db2.gz YDSOWHRPZQAWNJ-AWEZNQCLSA-N -1 1 344.333 2.432 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC000822531157 787237085 /nfs/dbraw/zinc/23/70/85/787237085.db2.gz VIEWNEVHHQJWFY-VOTSOKGWSA-N -1 1 344.375 2.447 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000822531157 787237089 /nfs/dbraw/zinc/23/70/89/787237089.db2.gz VIEWNEVHHQJWFY-VOTSOKGWSA-N -1 1 344.375 2.447 20 0 EEADMM CC1(C)Cc2cc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000911466169 787461007 /nfs/dbraw/zinc/46/10/07/787461007.db2.gz OLVVWFZLUDQEEG-GFCCVEGCSA-N -1 1 332.400 2.135 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062149500 787484202 /nfs/dbraw/zinc/48/42/02/787484202.db2.gz IYHVMSGHUVELMN-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(CCCOc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822959144 787485742 /nfs/dbraw/zinc/48/57/42/787485742.db2.gz UASLJEYRGUCOLG-UHFFFAOYSA-N -1 1 339.355 2.370 20 0 EEADMM CC(C)N(C)c1ccccc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911721163 787657107 /nfs/dbraw/zinc/65/71/07/787657107.db2.gz RGRUYUWWHGDMFJ-AWEZNQCLSA-N -1 1 333.432 2.266 20 0 EEADMM CC(C)c1cc(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)n[nH]1 ZINC000911763098 787695574 /nfs/dbraw/zinc/69/55/74/787695574.db2.gz OJEHTTPSBXIJRA-UHFFFAOYSA-N -1 1 348.428 2.255 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCC2)C1 ZINC000823637889 787846735 /nfs/dbraw/zinc/84/67/35/787846735.db2.gz NVSKWEADBVUADK-HNNXBMFYSA-N -1 1 330.428 2.021 20 0 EEADMM C[C@@H](CCNC(=O)C(C)(C)C(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001077653701 788043055 /nfs/dbraw/zinc/04/30/55/788043055.db2.gz LDOVQMBIGAOLIP-VIFPVBQESA-N -1 1 347.337 2.000 20 0 EEADMM C[C@H](CNc1ccc(C(F)(F)F)cn1)NC(=O)c1ncccc1[O-] ZINC001107690302 788070424 /nfs/dbraw/zinc/07/04/24/788070424.db2.gz SPCQHJZFDPAXPI-SECBINFHSA-N -1 1 340.305 2.431 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(C)c(F)c1F)c1nn[n-]n1 ZINC000912858047 788415159 /nfs/dbraw/zinc/41/51/59/788415159.db2.gz CCTPVAWRYOMDIG-VIFPVBQESA-N -1 1 327.360 2.011 20 0 EEADMM CSCC[C@H](NC(=O)CCSc1ccccc1)c1nn[n-]n1 ZINC000912860321 788418306 /nfs/dbraw/zinc/41/83/06/788418306.db2.gz SOMZJVVRPROICH-LBPRGKRZSA-N -1 1 337.474 2.293 20 0 EEADMM CSCC[C@H](NC(=O)c1csc(CC(C)C)n1)c1nn[n-]n1 ZINC000912860815 788419998 /nfs/dbraw/zinc/41/99/98/788419998.db2.gz ZKNRTRQKBUQRHV-VIFPVBQESA-N -1 1 340.478 2.079 20 0 EEADMM CSCC[C@H](NC(=O)C1(Cc2ccc(F)cc2)CC1)c1nn[n-]n1 ZINC000912862899 788426026 /nfs/dbraw/zinc/42/60/26/788426026.db2.gz ZKHCITLVWYWYJR-ZDUSSCGKSA-N -1 1 349.435 2.272 20 0 EEADMM CSCC[C@H](NC(=O)[C@@]1(c2ccccc2)CC1(C)C)c1nn[n-]n1 ZINC000912863182 788427025 /nfs/dbraw/zinc/42/70/25/788427025.db2.gz NZKKNUYVGRVNFF-GUYCJALGSA-N -1 1 345.472 2.478 20 0 EEADMM CCCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000844083918 788831856 /nfs/dbraw/zinc/83/18/56/788831856.db2.gz URPAVESBMDRKGI-SNVBAGLBSA-N -1 1 341.205 2.260 20 0 EEADMM C[C@@]1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CCc2ccccc21 ZINC000913437313 788875138 /nfs/dbraw/zinc/87/51/38/788875138.db2.gz MABVQWIUWLTCSU-QFBILLFUSA-N -1 1 333.395 2.309 20 0 EEADMM C[C@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000913496206 788927426 /nfs/dbraw/zinc/92/74/26/788927426.db2.gz VJQMLZXOBPMIHD-LRDDRELGSA-N -1 1 337.383 2.057 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C2(F)CCCCC2)C1 ZINC001005950320 788983875 /nfs/dbraw/zinc/98/38/75/788983875.db2.gz JDWWUONERFJNJM-GFCCVEGCSA-N -1 1 349.406 2.036 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C2=CCCCCC2)C1 ZINC001005949612 788983990 /nfs/dbraw/zinc/98/39/90/788983990.db2.gz HOENFYIGIIWYQW-CYBMUJFWSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(CN3CCCCC3)o2)[C@H]2C[C@H]21 ZINC000923197549 789116070 /nfs/dbraw/zinc/11/60/70/789116070.db2.gz OQQYHSLXFWYGGN-BARDWOONSA-N -1 1 332.400 2.105 20 0 EEADMM CC(C)c1nsc(N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001115718971 789833420 /nfs/dbraw/zinc/83/34/20/789833420.db2.gz CNUOAVZRFBBBMI-JTQLQIEISA-N -1 1 335.433 2.335 20 0 EEADMM [O-]c1cc(F)c(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c(F)c1 ZINC001144550171 789932485 /nfs/dbraw/zinc/93/24/85/789932485.db2.gz BLRYXIXDOYETKH-VXGBXAGGSA-N -1 1 332.354 2.029 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840977 789933966 /nfs/dbraw/zinc/93/39/66/789933966.db2.gz ROVLHQLWOMZWOX-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NCC1(NC(=O)C2CCCCC2)CCC1)c1ncccc1[O-] ZINC001062839674 789939106 /nfs/dbraw/zinc/93/91/06/789939106.db2.gz ZSJFNPJVHPVMRY-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CC(C)c1nsc(N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001062922901 790018847 /nfs/dbraw/zinc/01/88/47/790018847.db2.gz CQMNSYGXVSPABY-LLVKDONJSA-N -1 1 347.444 2.113 20 0 EEADMM COc1ccnc(N2CCN(Cc3sccc3C(=O)[O-])CC2)c1 ZINC001144685013 790036113 /nfs/dbraw/zinc/03/61/13/790036113.db2.gz UIRBYRKXISHSGY-UHFFFAOYSA-N -1 1 333.413 2.172 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-])c1ccco1 ZINC000946348629 791196890 /nfs/dbraw/zinc/19/68/90/791196890.db2.gz JBUBAJMHORXHLD-QWHCGFSZSA-N -1 1 343.383 2.099 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1CCNc1cnc(F)cn1 ZINC001063833281 791804296 /nfs/dbraw/zinc/80/42/96/791804296.db2.gz VPCDYHAXNBJHIW-LBPRGKRZSA-N -1 1 345.378 2.213 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)c1cncc(C)c1)c1ccccc1N ZINC001147402412 791822100 /nfs/dbraw/zinc/82/21/00/791822100.db2.gz KZTQGPJOCCNEFX-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)c1cncc(C)c1)c1ccccc1N ZINC001147402412 791822102 /nfs/dbraw/zinc/82/21/02/791822102.db2.gz KZTQGPJOCCNEFX-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM Cc1ccnc(N[C@H](C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879898 791874627 /nfs/dbraw/zinc/87/46/27/791874627.db2.gz GFHKXANNPRNCOU-KGLIPLIRSA-N -1 1 341.415 2.238 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NC3(c4ncccn4)CC3)cc2)[n-]1 ZINC001148340114 792349745 /nfs/dbraw/zinc/34/97/45/792349745.db2.gz JLHFQNLYLAJNDA-UHFFFAOYSA-N -1 1 335.367 2.008 20 0 EEADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cnc(F)cn1)c1ncccc1[O-] ZINC001064170896 792588654 /nfs/dbraw/zinc/58/86/54/792588654.db2.gz IAUWFOWMHQPNRI-NEPJUHHUSA-N -1 1 345.378 2.117 20 0 EEADMM COC(=O)c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001148790174 792680878 /nfs/dbraw/zinc/68/08/78/792680878.db2.gz GYRGTAXEZVCLHV-UHFFFAOYSA-N -1 1 341.245 2.240 20 0 EEADMM N=C(NC(=O)c1ccc(C(F)(F)F)cc1[O-])n1nnc2ccccc21 ZINC001148806391 792719357 /nfs/dbraw/zinc/71/93/57/792719357.db2.gz UKIUDZJCKHFLBM-UHFFFAOYSA-N -1 1 349.272 2.369 20 0 EEADMM CC1(CCC(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)CC1 ZINC001064351654 792912159 /nfs/dbraw/zinc/91/21/59/792912159.db2.gz VHOVTDQEFSTFTH-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CN(Cc1nccs1)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001089164010 792997303 /nfs/dbraw/zinc/99/73/03/792997303.db2.gz HWGVCCFFYLNOAC-ZDUSSCGKSA-N -1 1 346.456 2.370 20 0 EEADMM O=C(NC1(CNC(=O)[C@H]2CC23CCCC3)CCC1)c1ncccc1[O-] ZINC001064508033 793291364 /nfs/dbraw/zinc/29/13/64/793291364.db2.gz BRCSNSAWLSFJAZ-CYBMUJFWSA-N -1 1 343.427 2.136 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@]2(CCN(c3cccc(F)n3)C2)C1 ZINC001064616830 793441984 /nfs/dbraw/zinc/44/19/84/793441984.db2.gz CPDNTZJSMVGODT-GOSISDBHSA-N -1 1 342.374 2.064 20 0 EEADMM C[C@H](C[C@H](C)Nc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001089272614 793927634 /nfs/dbraw/zinc/92/76/34/793927634.db2.gz PTHMPJGNFDMXRY-VHSXEESVSA-N -1 1 335.795 2.240 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CCC(c3nn[n-]n3)CC2)c(C)c1 ZINC000913743664 794207286 /nfs/dbraw/zinc/20/72/86/794207286.db2.gz FXBPQNRXZTZIET-UHFFFAOYSA-N -1 1 343.431 2.382 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCC1 ZINC000913745130 794212014 /nfs/dbraw/zinc/21/20/14/794212014.db2.gz PVFOZUOWIWEALQ-UHFFFAOYSA-N -1 1 325.416 2.336 20 0 EEADMM CC[C@H](C)CCC(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080338711 795898294 /nfs/dbraw/zinc/89/82/94/795898294.db2.gz KIFYRMWZZVBHGU-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1ncc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)s1 ZINC000993235866 796154454 /nfs/dbraw/zinc/15/44/54/796154454.db2.gz AHGMWZTXTGTFJV-RISCZKNCSA-N -1 1 346.456 2.335 20 0 EEADMM CCCCCC(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001060979254 796373782 /nfs/dbraw/zinc/37/37/82/796373782.db2.gz BLGNHTGQAYJSFR-UHFFFAOYSA-N -1 1 345.443 2.432 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C(=O)c2ncccc2[O-])o1 ZINC001002113272 797585085 /nfs/dbraw/zinc/58/50/85/797585085.db2.gz MJNOULRBHYXUAQ-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C(C)(C)C ZINC001002190081 797673627 /nfs/dbraw/zinc/67/36/27/797673627.db2.gz YCDVACRZZFNRCE-DGAVXFQQSA-N -1 1 345.443 2.331 20 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FSNZJDHYMUDBFL-UHFFFAOYSA-N -1 1 327.340 2.188 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)CC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001002701296 798482289 /nfs/dbraw/zinc/48/22/89/798482289.db2.gz ADNHJVWYOVFPMU-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(C)C ZINC000921976738 798512501 /nfs/dbraw/zinc/51/25/01/798512501.db2.gz OZYJPDSMHMJYKA-GFCCVEGCSA-N -1 1 337.800 2.096 20 0 EEADMM COc1cnc(F)c(CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001178423533 799473579 /nfs/dbraw/zinc/47/35/79/799473579.db2.gz ZGRYPFKKKSEPPV-UHFFFAOYSA-N -1 1 342.330 2.302 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065997613 799857389 /nfs/dbraw/zinc/85/73/89/799857389.db2.gz JOUHZUZDKXQCDM-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C(=O)C1CCC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001003969661 800659132 /nfs/dbraw/zinc/65/91/32/800659132.db2.gz WVWQQTFCESRCNS-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001182884831 801383859 /nfs/dbraw/zinc/38/38/59/801383859.db2.gz BXMLHWJNHFIIQE-UHFFFAOYSA-N -1 1 328.206 2.155 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cnn1C ZINC001183250888 801538236 /nfs/dbraw/zinc/53/82/36/801538236.db2.gz JUJSLOAFCSKIGW-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM Cc1c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cnn1C ZINC001183250888 801538239 /nfs/dbraw/zinc/53/82/39/801538239.db2.gz JUJSLOAFCSKIGW-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cccc3c2OCC3)cc1C(=O)[O-] ZINC001185312599 802454670 /nfs/dbraw/zinc/45/46/70/802454670.db2.gz ZKCRJEAOSHQSAH-UHFFFAOYSA-N -1 1 349.364 2.129 20 0 EEADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NCc2n[nH]c(=O)[n-]2)cs1 ZINC001004957119 803313056 /nfs/dbraw/zinc/31/30/56/803313056.db2.gz ARZGGFIACOYLSI-DGCLKSJQSA-N -1 1 349.460 2.053 20 0 EEADMM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)nc2F)c1 ZINC000866989577 803685351 /nfs/dbraw/zinc/68/53/51/803685351.db2.gz FPIMSWGDIDAURL-UHFFFAOYSA-N -1 1 342.367 2.280 20 0 EEADMM COC(=O)C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000787412753 807105841 /nfs/dbraw/zinc/10/58/41/807105841.db2.gz QXOLVAPUSNMMMR-LBPRGKRZSA-N -1 1 334.759 2.475 20 0 EEADMM CC(=O)c1ccc(O)c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000790014327 808349301 /nfs/dbraw/zinc/34/93/01/808349301.db2.gz UZQLKNUMSICAKQ-LBPRGKRZSA-N -1 1 346.305 2.236 20 0 EEADMM CC(C)c1nsc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001113574588 809272959 /nfs/dbraw/zinc/27/29/59/809272959.db2.gz APAYJJMOBPGRSW-JTQLQIEISA-N -1 1 335.433 2.017 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1O ZINC000793469504 810354796 /nfs/dbraw/zinc/35/47/96/810354796.db2.gz RBJXGOSEYDPPBP-NSHDSACASA-N -1 1 344.333 2.231 20 0 EEADMM CCOC(=O)c1nc(NC(=O)c2nc(Br)cs2)c[n-]1 ZINC000793965564 810606214 /nfs/dbraw/zinc/60/62/14/810606214.db2.gz YWRICPZMTOKANY-UHFFFAOYSA-N -1 1 345.178 2.058 20 0 EEADMM CCCC[C@@H](CNc1ccc(C)nn1)NC(=O)c1ncccc1[O-] ZINC001114241392 810664408 /nfs/dbraw/zinc/66/44/08/810664408.db2.gz USKIAVSWSYVNSW-ZDUSSCGKSA-N -1 1 329.404 2.286 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccccc2)cc1[O-])c1cscn1 ZINC000805345882 811231625 /nfs/dbraw/zinc/23/16/25/811231625.db2.gz PJNUNCGDXUIWPX-UHFFFAOYSA-N -1 1 329.337 2.074 20 0 EEADMM COc1ccc(C2(NC(=O)N=c3ccnc4n(C)[n-]cc3-4)CC2)cc1 ZINC000806489635 811878489 /nfs/dbraw/zinc/87/84/89/811878489.db2.gz YNVJNBIGOVDCPZ-UHFFFAOYSA-N -1 1 337.383 2.161 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@H]3CSc4ccccc43)ccnc1-2 ZINC000806491431 811878823 /nfs/dbraw/zinc/87/88/23/811878823.db2.gz ZDBCKSHKUXSEAL-ZDUSSCGKSA-N -1 1 325.397 2.310 20 0 EEADMM C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1cccc(F)c1 ZINC000806490565 811881196 /nfs/dbraw/zinc/88/11/96/811881196.db2.gz JZUOZGFIQXPRMU-LLVKDONJSA-N -1 1 343.362 2.070 20 0 EEADMM C[C@@H](Cc1ccccc1F)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806485304 811895305 /nfs/dbraw/zinc/89/53/05/811895305.db2.gz QOQALZGQPWQSEW-NSHDSACASA-N -1 1 327.363 2.234 20 0 EEADMM Cc1cc(Br)cc2cc(C(=O)N(C)c3nn[n-]n3)oc21 ZINC001130971903 812248768 /nfs/dbraw/zinc/24/87/68/812248768.db2.gz IQNUKJMKNSAPLT-UHFFFAOYSA-N -1 1 336.149 2.293 20 0 EEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)OC4)cc2o1 ZINC000808125783 812446083 /nfs/dbraw/zinc/44/60/83/812446083.db2.gz OBALNROLTJAQJM-UHFFFAOYSA-N -1 1 346.320 2.005 20 0 EEADMM CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1(C)C ZINC000325942254 971256182 /nfs/dbraw/zinc/25/61/82/971256182.db2.gz LMIVTNOPIHYPGX-KSSFIOAISA-N -1 1 334.416 2.175 20 0 EEADMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000326090982 971265652 /nfs/dbraw/zinc/26/56/52/971265652.db2.gz SQVADYPKVFMGHV-NCHVAJSOSA-N -1 1 329.352 2.184 20 0 EEADMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000326090982 971265658 /nfs/dbraw/zinc/26/56/58/971265658.db2.gz SQVADYPKVFMGHV-NCHVAJSOSA-N -1 1 329.352 2.184 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826348733 948079984 /nfs/dbraw/zinc/07/99/84/948079984.db2.gz BHHHUPDZDIIYOR-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826348733 948079994 /nfs/dbraw/zinc/07/99/94/948079994.db2.gz BHHHUPDZDIIYOR-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826348934 948085720 /nfs/dbraw/zinc/08/57/20/948085720.db2.gz MSEHVFDWIDTPPZ-UHFFFAOYSA-N -1 1 326.360 2.468 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826348934 948085727 /nfs/dbraw/zinc/08/57/27/948085727.db2.gz MSEHVFDWIDTPPZ-UHFFFAOYSA-N -1 1 326.360 2.468 20 0 EEADMM CC(=O)N(C)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001573415454 948108561 /nfs/dbraw/zinc/10/85/61/948108561.db2.gz TXTCSEUYSPQQSJ-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM C[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC001575504012 949060715 /nfs/dbraw/zinc/06/07/15/949060715.db2.gz QTJBCNUEJMUBSV-JTQLQIEISA-N -1 1 326.385 2.381 20 0 EEADMM C[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC001575504012 949060737 /nfs/dbraw/zinc/06/07/37/949060737.db2.gz 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EEADMM CN(C)Cc1ccnc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000833689531 604772158 /nfs/dbraw/zinc/77/21/58/604772158.db2.gz FYPCBHPXLAAOKX-UHFFFAOYSA-N -1 1 327.384 2.413 20 0 EEADMM CCCc1c(C(=O)N[C@H](C)c2n[nH]c(CC)n2)[nH]c(C)c1C(=O)[O-] ZINC000833653402 605072502 /nfs/dbraw/zinc/07/25/02/605072502.db2.gz SERMWNPMBNXHMM-SECBINFHSA-N -1 1 333.392 2.145 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833535669 605114257 /nfs/dbraw/zinc/11/42/57/605114257.db2.gz LLZROMKYGGWEFW-HUUCEWRRSA-N -1 1 340.464 2.122 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OC1CCC1 ZINC000833627607 605156048 /nfs/dbraw/zinc/15/60/48/605156048.db2.gz ZMUSIWHCEPPINE-CQSZACIVSA-N -1 1 346.427 2.239 20 0 EEADMM CC(=O)NCC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833396133 605371773 /nfs/dbraw/zinc/37/17/73/605371773.db2.gz GFKLXJSJYDYCCS-OAHLLOKOSA-N -1 1 342.798 2.453 20 0 EEADMM C[C@@](O)(CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccccc1 ZINC000833525150 605764390 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OCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCCC1 ZINC000823712996 606432735 /nfs/dbraw/zinc/43/27/35/606432735.db2.gz BACZHEUAYZONQY-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM Clc1ccc(N2CC(Oc3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000822574376 606464968 /nfs/dbraw/zinc/46/49/68/606464968.db2.gz TVYUHDZWGKXHEC-UHFFFAOYSA-N -1 1 328.763 2.183 20 0 EEADMM Clc1ccc(N2CC(Oc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000822574376 606464969 /nfs/dbraw/zinc/46/49/69/606464969.db2.gz TVYUHDZWGKXHEC-UHFFFAOYSA-N -1 1 328.763 2.183 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821798722 606507225 /nfs/dbraw/zinc/50/72/25/606507225.db2.gz LEMFTONKPMBMJS-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821798722 606507227 /nfs/dbraw/zinc/50/72/27/606507227.db2.gz LEMFTONKPMBMJS-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM O=C(NCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823261154 606538421 /nfs/dbraw/zinc/53/84/21/606538421.db2.gz CWMOBTRIFFIZSR-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823261154 606538422 /nfs/dbraw/zinc/53/84/22/606538422.db2.gz CWMOBTRIFFIZSR-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM CO[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678646 606609538 /nfs/dbraw/zinc/60/95/38/606609538.db2.gz QKKJSGZDGHRJAB-VXGBXAGGSA-N -1 1 325.376 2.035 20 0 EEADMM CO[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678646 606609539 /nfs/dbraw/zinc/60/95/39/606609539.db2.gz QKKJSGZDGHRJAB-VXGBXAGGSA-N -1 1 325.376 2.035 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC1(C)CCC1 ZINC000822009977 606632722 /nfs/dbraw/zinc/63/27/22/606632722.db2.gz ITTCMSHXVPKBEP-UHFFFAOYSA-N -1 1 331.376 2.003 20 0 EEADMM CCOc1c(F)cccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821389924 606650296 /nfs/dbraw/zinc/65/02/96/606650296.db2.gz RFOHBQQWHOBGEW-UHFFFAOYSA-N -1 1 343.318 2.157 20 0 EEADMM CCOc1c(F)cccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821389924 606650297 /nfs/dbraw/zinc/65/02/97/606650297.db2.gz RFOHBQQWHOBGEW-UHFFFAOYSA-N -1 1 343.318 2.157 20 0 EEADMM Cc1ccc(SCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822267526 606651178 /nfs/dbraw/zinc/65/11/78/606651178.db2.gz YVEJLTNLSZVZIS-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM Cc1ccc(SCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822267526 606651179 /nfs/dbraw/zinc/65/11/79/606651179.db2.gz YVEJLTNLSZVZIS-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM Fc1cccc(F)c1N1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822792198 606728644 /nfs/dbraw/zinc/72/86/44/606728644.db2.gz QSMZNVWEPSDSLI-JTQLQIEISA-N -1 1 343.341 2.231 20 0 EEADMM Fc1cccc(F)c1N1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822792198 606728646 /nfs/dbraw/zinc/72/86/46/606728646.db2.gz QSMZNVWEPSDSLI-JTQLQIEISA-N -1 1 343.341 2.231 20 0 EEADMM CN(CCOCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821603614 606818160 /nfs/dbraw/zinc/81/81/60/606818160.db2.gz GYNFNLUHAIRQNS-UHFFFAOYSA-N -1 1 343.412 2.217 20 0 EEADMM CN(CCOCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821603614 606818161 /nfs/dbraw/zinc/81/81/61/606818161.db2.gz GYNFNLUHAIRQNS-UHFFFAOYSA-N -1 1 343.412 2.217 20 0 EEADMM Cc1ccc(SCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822267236 607023563 /nfs/dbraw/zinc/02/35/63/607023563.db2.gz PJOPRPFXHXKUAU-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM Cc1ccc(SCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822267236 607023565 /nfs/dbraw/zinc/02/35/65/607023565.db2.gz PJOPRPFXHXKUAU-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM CC(C)(C)OC(=O)N1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000824104383 608076745 /nfs/dbraw/zinc/07/67/45/608076745.db2.gz QSSOTVKCDQXLTD-UHFFFAOYSA-N -1 1 334.355 2.368 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824390904 608123040 /nfs/dbraw/zinc/12/30/40/608123040.db2.gz FHYOIGJTNSSVTH-NKWVEPMBSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824390904 608123041 /nfs/dbraw/zinc/12/30/41/608123041.db2.gz FHYOIGJTNSSVTH-NKWVEPMBSA-N -1 1 340.796 2.494 20 0 EEADMM CCc1csc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000825739964 608408065 /nfs/dbraw/zinc/40/80/65/608408065.db2.gz LWBYGDWUKRDKAP-JTQLQIEISA-N -1 1 342.432 2.060 20 0 EEADMM CCc1csc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000825739964 608408067 /nfs/dbraw/zinc/40/80/67/608408067.db2.gz LWBYGDWUKRDKAP-JTQLQIEISA-N -1 1 342.432 2.060 20 0 EEADMM Cc1ccnc(-c2cccc(Nc3ccc(-c4nnn[n-]4)nn3)c2)n1 ZINC000826308974 608420026 /nfs/dbraw/zinc/42/00/26/608420026.db2.gz YPXCFOORITVXDE-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM Cc1ccnc(-c2cccc(Nc3ccc(-c4nn[n-]n4)nn3)c2)n1 ZINC000826308974 608420027 /nfs/dbraw/zinc/42/00/27/608420027.db2.gz YPXCFOORITVXDE-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826219922 608432313 /nfs/dbraw/zinc/43/23/13/608432313.db2.gz VZQPYUFRBOJDNK-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826219922 608432314 /nfs/dbraw/zinc/43/23/14/608432314.db2.gz VZQPYUFRBOJDNK-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM CC(C)Cn1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C(F)F ZINC000824284362 608438074 /nfs/dbraw/zinc/43/80/74/608438074.db2.gz GQQBDNSPNLSZGW-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM CC(C)Cn1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C(F)F ZINC000824284362 608438076 /nfs/dbraw/zinc/43/80/76/608438076.db2.gz GQQBDNSPNLSZGW-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM CN1Cc2cc(Oc3ccc(Cl)c(-c4nnn[n-]4)n3)ccc2C1=O ZINC000826045057 608553924 /nfs/dbraw/zinc/55/39/24/608553924.db2.gz OCQTXGZBVOEQAL-UHFFFAOYSA-N -1 1 342.746 2.293 20 0 EEADMM CN1Cc2cc(Oc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc2C1=O ZINC000826045057 608553925 /nfs/dbraw/zinc/55/39/25/608553925.db2.gz OCQTXGZBVOEQAL-UHFFFAOYSA-N -1 1 342.746 2.293 20 0 EEADMM O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826505995 608847666 /nfs/dbraw/zinc/84/76/66/608847666.db2.gz KNCKIPBWOKLJKY-IINYFYTJSA-N -1 1 347.325 2.046 20 0 EEADMM O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826505995 608847667 /nfs/dbraw/zinc/84/76/67/608847667.db2.gz KNCKIPBWOKLJKY-IINYFYTJSA-N -1 1 347.325 2.046 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC000825075222 609172584 /nfs/dbraw/zinc/17/25/84/609172584.db2.gz NHKNZWOCBXJPNV-NSHDSACASA-N -1 1 325.376 2.446 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC000825075222 609172585 /nfs/dbraw/zinc/17/25/85/609172585.db2.gz NHKNZWOCBXJPNV-NSHDSACASA-N -1 1 325.376 2.446 20 0 EEADMM Cc1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000826267824 609283412 /nfs/dbraw/zinc/28/34/12/609283412.db2.gz YCSKAFDCICLOON-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1cc(Cl)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC000826267824 609283414 /nfs/dbraw/zinc/28/34/14/609283414.db2.gz YCSKAFDCICLOON-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)[C@@H](C)C2 ZINC000826294222 609603190 /nfs/dbraw/zinc/60/31/90/609603190.db2.gz MEIDHQXRTXCAOG-ZBEGNZNMSA-N -1 1 334.383 2.233 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)[C@@H](C)C2 ZINC000826294222 609603192 /nfs/dbraw/zinc/60/31/92/609603192.db2.gz MEIDHQXRTXCAOG-ZBEGNZNMSA-N -1 1 334.383 2.233 20 0 EEADMM COCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC000826153878 609628065 /nfs/dbraw/zinc/62/80/65/609628065.db2.gz CDGGFJWHBHPKEE-SECBINFHSA-N -1 1 333.373 2.029 20 0 EEADMM COCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC000826153878 609628066 /nfs/dbraw/zinc/62/80/66/609628066.db2.gz CDGGFJWHBHPKEE-SECBINFHSA-N -1 1 333.373 2.029 20 0 EEADMM CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866837547 674579572 /nfs/dbraw/zinc/57/95/72/674579572.db2.gz DOVURGIGYCOODN-UHFFFAOYSA-N -1 1 327.233 2.218 20 0 EEADMM CCCn1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1=O ZINC000081556312 676701145 /nfs/dbraw/zinc/70/11/45/676701145.db2.gz SPFZNNKBIYDKOK-UHFFFAOYSA-N -1 1 330.388 2.026 20 0 EEADMM O=C(CCc1cccc2c1OCO2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617772 676725495 /nfs/dbraw/zinc/72/54/95/676725495.db2.gz JAOOXFYUTHKVGQ-UHFFFAOYSA-N -1 1 341.367 2.361 20 0 EEADMM O=C(NCC1CC1)N[N-]C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000065192165 677813939 /nfs/dbraw/zinc/81/39/39/677813939.db2.gz CNNURNDSMZUFHW-UHFFFAOYSA-N -1 1 333.779 2.084 20 0 EEADMM COCc1nc(N2CCC(N(C)c3ccccc3)CC2)cc(=O)[n-]1 ZINC000892424520 679798801 /nfs/dbraw/zinc/79/88/01/679798801.db2.gz DQHBBMHMPVAPHL-UHFFFAOYSA-N -1 1 328.416 2.434 20 0 EEADMM O=S(=O)([N-]C[C@H]1COc2ccccc2C1)c1cc(F)ccc1F ZINC000052537108 679227263 /nfs/dbraw/zinc/22/72/63/679227263.db2.gz BSOVDIPIVYQGQW-NSHDSACASA-N -1 1 339.363 2.494 20 0 EEADMM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000263403499 679573147 /nfs/dbraw/zinc/57/31/47/679573147.db2.gz HDGRTSGGELCDIO-GFCCVEGCSA-N -1 1 328.372 2.189 20 0 EEADMM Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)c3ccccc3O)C2)c(C)o1 ZINC001028415108 681341745 /nfs/dbraw/zinc/34/17/45/681341745.db2.gz HNHKBOKKPMXUQF-CQSZACIVSA-N -1 1 329.400 2.249 20 0 EEADMM COCc1nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000892535222 681620378 /nfs/dbraw/zinc/62/03/78/681620378.db2.gz HDAHCOWPZXZQDB-LLVKDONJSA-N -1 1 338.408 2.140 20 0 EEADMM CCOc1ccc(SCC(=O)NCc2n[n-]c(=S)n2C)cc1 ZINC000066625965 681740471 /nfs/dbraw/zinc/74/04/71/681740471.db2.gz YTTLZFDZQUHXKM-UHFFFAOYSA-N -1 1 338.458 2.285 20 0 EEADMM CCCc1occc1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199342 682296404 /nfs/dbraw/zinc/29/64/04/682296404.db2.gz RQPMHZWTGNHWSV-HAQNSBGRSA-N -1 1 343.383 2.024 20 0 EEADMM CC1(CC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001025253457 682341881 /nfs/dbraw/zinc/34/18/81/682341881.db2.gz VSJNUXXLEDVLPF-UONOGXRCSA-N -1 1 347.463 2.046 20 0 EEADMM O=C(CC1CCC1)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983571019 682877134 /nfs/dbraw/zinc/87/71/34/682877134.db2.gz KHYUIPZKDPRTFW-KGLIPLIRSA-N -1 1 331.416 2.135 20 0 EEADMM CC1(C)CC(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000983584619 682899350 /nfs/dbraw/zinc/89/93/50/682899350.db2.gz JOCFRLRYWJJCQH-ZIAGYGMSSA-N -1 1 345.443 2.381 20 0 EEADMM CC1CC(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)c2ncccc2[O-])C1 ZINC000983708859 683149463 /nfs/dbraw/zinc/14/94/63/683149463.db2.gz DEACXNCDOGQHPY-URGYJCLVSA-N -1 1 345.443 2.190 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983709548 683151383 /nfs/dbraw/zinc/15/13/83/683151383.db2.gz SXTKRHSSJZIKKE-MSUNXFKOSA-N -1 1 331.416 2.110 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000909552043 685637608 /nfs/dbraw/zinc/63/76/08/685637608.db2.gz MTQGHYYDUDPTJI-QGZVFWFLSA-N -1 1 344.455 2.455 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c(F)c1)c1ccco1 ZINC000914213985 683365368 /nfs/dbraw/zinc/36/53/68/683365368.db2.gz AITQAOKOODVZGD-LBPRGKRZSA-N -1 1 347.339 2.232 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937454746 683636833 /nfs/dbraw/zinc/63/68/33/683636833.db2.gz GXHKDVFKTABXAG-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000983871108 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/nfs/dbraw/zinc/88/29/36/1351882936.db2.gz ODBHEJNRGZOKJH-GXTWGEPZSA-N -1 1 347.419 2.482 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609178974 1351878699 /nfs/dbraw/zinc/87/86/99/1351878699.db2.gz ISPQPGBGJVZSAO-RFAUZJTJSA-N -1 1 339.330 2.258 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609178974 1351878701 /nfs/dbraw/zinc/87/87/01/1351878701.db2.gz ISPQPGBGJVZSAO-RFAUZJTJSA-N -1 1 339.330 2.258 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001609199889 1351887403 /nfs/dbraw/zinc/88/74/03/1351887403.db2.gz IITKGMMXOCMICF-UKRRQHHQSA-N -1 1 345.403 2.290 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001609199889 1351887407 /nfs/dbraw/zinc/88/74/07/1351887407.db2.gz IITKGMMXOCMICF-UKRRQHHQSA-N -1 1 345.403 2.290 20 0 EEADMM CCS[C@@H]1CCCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609248655 1351908301 /nfs/dbraw/zinc/90/83/01/1351908301.db2.gz LNBYTTHGSUMVMU-LLVKDONJSA-N -1 1 332.433 2.010 20 0 EEADMM CCS[C@@H]1CCCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609248655 1351908302 /nfs/dbraw/zinc/90/83/02/1351908302.db2.gz LNBYTTHGSUMVMU-LLVKDONJSA-N -1 1 332.433 2.010 20 0 EEADMM CCc1ccc(CC)c(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC001609251629 1351910073 /nfs/dbraw/zinc/91/00/73/1351910073.db2.gz DQUUFDQCDNZZBS-UHFFFAOYSA-N -1 1 337.383 2.036 20 0 EEADMM O=S(=O)([N-]CC1(CO)CCCC1)c1cnc(Cl)cc1Cl ZINC001328524785 1334473624 /nfs/dbraw/zinc/47/36/24/1334473624.db2.gz OUGQIQAEPDSEDE-UHFFFAOYSA-N -1 1 339.244 2.219 20 0 EEADMM COc1cc2c(cc1CNc1cccnc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC001609348857 1351941384 /nfs/dbraw/zinc/94/13/84/1351941384.db2.gz NYTOSQUBDCDNAG-JTQLQIEISA-N -1 1 338.371 2.206 20 0 EEADMM COc1cc2c(cc1CNc1cccnc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC001609348857 1351941389 /nfs/dbraw/zinc/94/13/89/1351941389.db2.gz NYTOSQUBDCDNAG-JTQLQIEISA-N -1 1 338.371 2.206 20 0 EEADMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001330138615 1334783762 /nfs/dbraw/zinc/78/37/62/1334783762.db2.gz AJYFIVHXWROBIC-MRVPVSSYSA-N -1 1 327.233 2.074 20 0 EEADMM CSc1ccc(OCCOc2cccnc2-c2nnn[n-]2)cc1 ZINC001609372828 1351950404 /nfs/dbraw/zinc/95/04/04/1351950404.db2.gz LXJSWPPCIUACQW-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM CSc1ccc(OCCOc2cccnc2-c2nn[n-]n2)cc1 ZINC001609372828 1351950406 /nfs/dbraw/zinc/95/04/06/1351950406.db2.gz LXJSWPPCIUACQW-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)c3ccc(F)cc3F)nc2n1 ZINC001331459529 1335017615 /nfs/dbraw/zinc/01/76/15/1335017615.db2.gz ARGWCDUFMONHOB-QMMMGPOBSA-N -1 1 347.325 2.000 20 0 EEADMM FC(F)Oc1ccc(Cl)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001609486617 1351995040 /nfs/dbraw/zinc/99/50/40/1351995040.db2.gz ZJYDZNOGGULYBH-UHFFFAOYSA-N -1 1 341.709 2.457 20 0 EEADMM FC(F)Oc1ccc(Cl)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001609486617 1351995043 /nfs/dbraw/zinc/99/50/43/1351995043.db2.gz ZJYDZNOGGULYBH-UHFFFAOYSA-N -1 1 341.709 2.457 20 0 EEADMM Fc1ccc([C@@H]2COCCN2Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609490277 1351996091 /nfs/dbraw/zinc/99/60/91/1351996091.db2.gz LLMFIDNFAWEINB-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM Fc1ccc([C@@H]2COCCN2Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609490277 1351996093 /nfs/dbraw/zinc/99/60/93/1351996093.db2.gz LLMFIDNFAWEINB-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM O=C(NC[C@H]1CCCC1(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609545994 1352011519 /nfs/dbraw/zinc/01/15/19/1352011519.db2.gz WYRZEQQBJZSJLS-MRVPVSSYSA-N -1 1 325.294 2.171 20 0 EEADMM O=C(NC[C@H]1CCCC1(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609545994 1352011523 /nfs/dbraw/zinc/01/15/23/1352011523.db2.gz WYRZEQQBJZSJLS-MRVPVSSYSA-N -1 1 325.294 2.171 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571988 1352020202 /nfs/dbraw/zinc/02/02/02/1352020202.db2.gz WWBFTSVUDMAYIT-WCQGTBRESA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001609571988 1352020204 /nfs/dbraw/zinc/02/02/04/1352020204.db2.gz WWBFTSVUDMAYIT-WCQGTBRESA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571988 1352020207 /nfs/dbraw/zinc/02/02/07/1352020207.db2.gz WWBFTSVUDMAYIT-WCQGTBRESA-N -1 1 333.417 2.146 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609571988 1352020210 /nfs/dbraw/zinc/02/02/10/1352020210.db2.gz WWBFTSVUDMAYIT-WCQGTBRESA-N -1 1 333.417 2.146 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1sccc1-c1nn[n-]n1 ZINC001609579201 1352024441 /nfs/dbraw/zinc/02/44/41/1352024441.db2.gz HRILFYBWBBVKLF-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM OCC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccco1 ZINC001609609180 1352035496 /nfs/dbraw/zinc/03/54/96/1352035496.db2.gz DGVJVNWCVMNGLG-ZCFIWIBFSA-N -1 1 326.769 2.105 20 0 EEADMM OCC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccco1 ZINC001609609180 1352035500 /nfs/dbraw/zinc/03/55/00/1352035500.db2.gz DGVJVNWCVMNGLG-ZCFIWIBFSA-N -1 1 326.769 2.105 20 0 EEADMM CC(C)(C)[C@@H](NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccs1 ZINC001609654202 1352051074 /nfs/dbraw/zinc/05/10/74/1352051074.db2.gz LOSHQYXMWXAPAS-DRABBMOASA-N -1 1 336.457 2.214 20 0 EEADMM CC(C)[C@H](NC(=O)CNC(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC001609716829 1352066706 /nfs/dbraw/zinc/06/67/06/1352066706.db2.gz WKVZZWZPPLWVOT-AWEZNQCLSA-N -1 1 326.824 2.390 20 0 EEADMM C[C@@H](CN(CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)C1CC1)C(=O)[O-] ZINC001609741765 1352073883 /nfs/dbraw/zinc/07/38/83/1352073883.db2.gz MUWJMBQDXYJAGG-WFASDCNBSA-N -1 1 331.416 2.134 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609831157 1352095709 /nfs/dbraw/zinc/09/57/09/1352095709.db2.gz CZFHQOSEKYRBHI-BODMPHMZSA-N -1 1 330.428 2.044 20 0 EEADMM C[C@H]1C[C@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)N1c1ccccc1 ZINC001609844447 1352099334 /nfs/dbraw/zinc/09/93/34/1352099334.db2.gz KLAAJUAXXPDBDW-WFASDCNBSA-N -1 1 327.384 2.007 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001340287403 1337151699 /nfs/dbraw/zinc/15/16/99/1337151699.db2.gz DWANCTYDFWURRM-DTORHVGOSA-N -1 1 341.749 2.420 20 0 EEADMM CCC[C@H]1CN([C@H](C(=O)[O-])c2ccsc2)CCN1CCOC ZINC001609959508 1352130511 /nfs/dbraw/zinc/13/05/11/1352130511.db2.gz FSAVCKPAKPWBCD-GJZGRUSLSA-N -1 1 326.462 2.307 20 0 EEADMM CCN1CCCC[C@H]1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001610006802 1352139699 /nfs/dbraw/zinc/13/96/99/1352139699.db2.gz FUGUIXQCQYTQNV-LPHOPBHVSA-N -1 1 332.444 2.410 20 0 EEADMM O=C(c1cc(C2CC2)nc2ccccc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347972919 1337528657 /nfs/dbraw/zinc/52/86/57/1337528657.db2.gz BCLVJVNDWUNWBP-GFCCVEGCSA-N -1 1 334.383 2.255 20 0 EEADMM CCO[C@@H](C)c1noc(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)n1 ZINC001610025951 1352144358 /nfs/dbraw/zinc/14/43/58/1352144358.db2.gz KRPYRWVQVJLBAN-QEJZJMRPSA-N -1 1 345.399 2.467 20 0 EEADMM CNC(=O)CCCN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC001610139182 1352171711 /nfs/dbraw/zinc/17/17/11/1352171711.db2.gz LRIGXTXHQMBRBT-UHFFFAOYSA-N -1 1 343.221 2.105 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n[nH]1 ZINC001610459381 1352226486 /nfs/dbraw/zinc/22/64/86/1352226486.db2.gz PGHKYEAOSFYNPC-DGCLKSJQSA-N -1 1 336.436 2.182 20 0 EEADMM Cc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)s1 ZINC001610498982 1352233828 /nfs/dbraw/zinc/23/38/28/1352233828.db2.gz FONIFWPJPCLBJQ-ZDUSSCGKSA-N -1 1 338.473 2.387 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610537970 1352241302 /nfs/dbraw/zinc/24/13/02/1352241302.db2.gz FWKUJWSRNMHVTQ-MJBXVCDLSA-N -1 1 336.457 2.167 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1cnn[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001610753357 1352269165 /nfs/dbraw/zinc/26/91/65/1352269165.db2.gz VIIMFTOXBDZNOD-HNNXBMFYSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])Cn1cc(CCN2CCC[C@@H]2c2ccc(F)cc2F)nn1 ZINC001610799341 1352276724 /nfs/dbraw/zinc/27/67/24/1352276724.db2.gz FAFNNXRILMIXDM-OAHLLOKOSA-N -1 1 336.342 2.021 20 0 EEADMM O=C([O-])c1ccc(Cl)c(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c1 ZINC001610830658 1352281883 /nfs/dbraw/zinc/28/18/83/1352281883.db2.gz XGDNIQWCJDUYKM-UHFFFAOYSA-N -1 1 343.730 2.471 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3Cc4cc(F)ccc4O3)[nH]c21 ZINC001610849833 1352285308 /nfs/dbraw/zinc/28/53/08/1352285308.db2.gz BGTFPHSKODGMOS-ZDUSSCGKSA-N -1 1 341.298 2.342 20 0 EEADMM CC(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001429025394 1339770155 /nfs/dbraw/zinc/77/01/55/1339770155.db2.gz QKZMVAWVUHWWAH-CYBMUJFWSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1nc(-c2ccncc2)no1 ZINC001617695627 1352344026 /nfs/dbraw/zinc/34/40/26/1352344026.db2.gz QZWADTSCGQAMLK-UHFFFAOYSA-N -1 1 344.758 2.350 20 0 EEADMM Cc1nc(CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c(C)s1 ZINC001617743357 1352344465 /nfs/dbraw/zinc/34/44/65/1352344465.db2.gz DMDCQWYZERMVGB-UHFFFAOYSA-N -1 1 344.400 2.033 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001432560220 1341328343 /nfs/dbraw/zinc/32/83/43/1341328343.db2.gz UMZIJIVHLGMPBQ-ACJLOTCBSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574554632 1343684251 /nfs/dbraw/zinc/68/42/51/1343684251.db2.gz VIDLDYPPGKHJHP-LURJTMIESA-N -1 1 334.327 2.068 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577156013 1344096156 /nfs/dbraw/zinc/09/61/56/1344096156.db2.gz IYPOYJMCVNRYGV-VXGBXAGGSA-N -1 1 344.419 2.222 20 0 EEADMM CCCC(=O)N[C@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001577203278 1344104314 /nfs/dbraw/zinc/10/43/14/1344104314.db2.gz UQTUEIPFKIKZSS-SECBINFHSA-N -1 1 337.453 2.129 20 0 EEADMM CCSCc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001578417593 1344276786 /nfs/dbraw/zinc/27/67/86/1344276786.db2.gz PZZOJKMZTSWOIJ-UHFFFAOYSA-N -1 1 343.416 2.106 20 0 EEADMM CCSCc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001578417593 1344276791 /nfs/dbraw/zinc/27/67/91/1344276791.db2.gz PZZOJKMZTSWOIJ-UHFFFAOYSA-N -1 1 343.416 2.106 20 0 EEADMM CN[C@H](C(=O)[N-]O[C@@H](CO)C(C)C)c1cccc(Cl)c1Cl ZINC001578567336 1344288849 /nfs/dbraw/zinc/28/88/49/1344288849.db2.gz AVNZWNUGCWXKDO-AAEUAGOBSA-N -1 1 335.231 2.319 20 0 EEADMM CN(C(=O)[C@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578847425 1344308420 /nfs/dbraw/zinc/30/84/20/1344308420.db2.gz ARNSFUGYPSUHJM-DYVFJYSZSA-N -1 1 338.346 2.109 20 0 EEADMM CN(C(=O)[C@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578847425 1344308422 /nfs/dbraw/zinc/30/84/22/1344308422.db2.gz ARNSFUGYPSUHJM-DYVFJYSZSA-N -1 1 338.346 2.109 20 0 EEADMM COC(=O)c1ccc(Cl)c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001579482936 1344388206 /nfs/dbraw/zinc/38/82/06/1344388206.db2.gz SMYRFRQODXRAHU-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1ccc(Cl)c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001579482936 1344388210 /nfs/dbraw/zinc/38/82/10/1344388210.db2.gz SMYRFRQODXRAHU-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COc1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1OC ZINC001580071193 1344464365 /nfs/dbraw/zinc/46/43/65/1344464365.db2.gz XVDXNABEDFMYBN-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1OC ZINC001580071193 1344464367 /nfs/dbraw/zinc/46/43/67/1344464367.db2.gz XVDXNABEDFMYBN-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1csc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC001580117373 1344475070 /nfs/dbraw/zinc/47/50/70/1344475070.db2.gz BUYGBNKTYRDVEA-UHFFFAOYSA-N -1 1 347.404 2.141 20 0 EEADMM COc1csc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC001580117373 1344475073 /nfs/dbraw/zinc/47/50/73/1344475073.db2.gz BUYGBNKTYRDVEA-UHFFFAOYSA-N -1 1 347.404 2.141 20 0 EEADMM COc1ncc(NC(=O)C=CC=C(Cl)Cl)cc1-c1nn[n-]n1 ZINC001580133549 1344478365 /nfs/dbraw/zinc/47/83/65/1344478365.db2.gz OMPWLYFWAVVGSU-DUXPYHPUSA-N -1 1 341.158 2.084 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001580173093 1344484931 /nfs/dbraw/zinc/48/49/31/1344484931.db2.gz ZHZKPTUICUMZSV-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM Cc1ccccc1CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581259172 1344608382 /nfs/dbraw/zinc/60/83/82/1344608382.db2.gz NYGMISLXTSLPIL-UHFFFAOYSA-N -1 1 342.428 2.279 20 0 EEADMM Fc1cc(CNc2ncncc2-c2nn[n-]n2)ccc1OC(F)F ZINC001581852541 1344677479 /nfs/dbraw/zinc/67/74/79/1344677479.db2.gz AYYKAVBVPKWQEX-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(F)cc(C(F)(F)CNc2nccnc2-c2nnn[n-]2)c1 ZINC001581852906 1344677642 /nfs/dbraw/zinc/67/76/42/1344677642.db2.gz HDPURILGAIXNMJ-UHFFFAOYSA-N -1 1 339.256 2.139 20 0 EEADMM Fc1cc(F)cc(C(F)(F)CNc2nccnc2-c2nn[n-]n2)c1 ZINC001581852906 1344677647 /nfs/dbraw/zinc/67/76/47/1344677647.db2.gz HDPURILGAIXNMJ-UHFFFAOYSA-N -1 1 339.256 2.139 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC(C(F)F)CC1 ZINC001582548976 1344760456 /nfs/dbraw/zinc/76/04/56/1344760456.db2.gz KWENDOHWONKCAR-UHFFFAOYSA-N -1 1 342.375 2.115 20 0 EEADMM CC(=O)NCCCCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588861980 1348940013 /nfs/dbraw/zinc/94/00/13/1348940013.db2.gz LSQYUTIXBZYTSE-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CC(=O)NCCCCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588861980 1348940016 /nfs/dbraw/zinc/94/00/16/1348940016.db2.gz LSQYUTIXBZYTSE-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001588917437 1348947278 /nfs/dbraw/zinc/94/72/78/1348947278.db2.gz JIEKRRJXNWBYOC-UHFFFAOYSA-N -1 1 343.730 2.337 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001588917437 1348947280 /nfs/dbraw/zinc/94/72/80/1348947280.db2.gz JIEKRRJXNWBYOC-UHFFFAOYSA-N -1 1 343.730 2.337 20 0 EEADMM C[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC001589000365 1348952582 /nfs/dbraw/zinc/95/25/82/1348952582.db2.gz ZZCLPAUMTHYWIL-QMMMGPOBSA-N -1 1 348.819 2.397 20 0 EEADMM C[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC001589000365 1348952586 /nfs/dbraw/zinc/95/25/86/1348952586.db2.gz ZZCLPAUMTHYWIL-QMMMGPOBSA-N -1 1 348.819 2.397 20 0 EEADMM CC(C)(C)CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001589127205 1348963146 /nfs/dbraw/zinc/96/31/46/1348963146.db2.gz BEZKMEJZJMWZEC-UHFFFAOYSA-N -1 1 337.387 2.350 20 0 EEADMM CC(C)(C)CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589127205 1348963148 /nfs/dbraw/zinc/96/31/48/1348963148.db2.gz BEZKMEJZJMWZEC-UHFFFAOYSA-N -1 1 337.387 2.350 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001589193287 1348967957 /nfs/dbraw/zinc/96/79/57/1348967957.db2.gz PESJPJASJFPSAZ-UONOGXRCSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001589193287 1348967960 /nfs/dbraw/zinc/96/79/60/1348967960.db2.gz PESJPJASJFPSAZ-UONOGXRCSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)C1CCC(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001589504777 1348998593 /nfs/dbraw/zinc/99/85/93/1348998593.db2.gz ZIFJBXJSYHDXSQ-UHFFFAOYSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)C1CCC(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001589504777 1348998596 /nfs/dbraw/zinc/99/85/96/1348998596.db2.gz ZIFJBXJSYHDXSQ-UHFFFAOYSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(=O)OC(C)(C)C ZINC001589560069 1349003758 /nfs/dbraw/zinc/00/37/58/1349003758.db2.gz UEYVDTJYBMBUHK-NSHDSACASA-N -1 1 347.423 2.073 20 0 EEADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(=O)OC(C)(C)C ZINC001589560069 1349003762 /nfs/dbraw/zinc/00/37/62/1349003762.db2.gz UEYVDTJYBMBUHK-NSHDSACASA-N -1 1 347.423 2.073 20 0 EEADMM CC(C)CN(Cc1cnn(C)c1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589628422 1349012837 /nfs/dbraw/zinc/01/28/37/1349012837.db2.gz CHRPNYKHVJOPTQ-UHFFFAOYSA-N -1 1 346.826 2.311 20 0 EEADMM CC(C)CN(Cc1cnn(C)c1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589628422 1349012840 /nfs/dbraw/zinc/01/28/40/1349012840.db2.gz CHRPNYKHVJOPTQ-UHFFFAOYSA-N -1 1 346.826 2.311 20 0 EEADMM CC(C)CSCCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589653428 1349015210 /nfs/dbraw/zinc/01/52/10/1349015210.db2.gz NZWKDQXYHVJXEP-UHFFFAOYSA-N -1 1 335.433 2.127 20 0 EEADMM CC(C)CSCCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589653428 1349015213 /nfs/dbraw/zinc/01/52/13/1349015213.db2.gz NZWKDQXYHVJXEP-UHFFFAOYSA-N -1 1 335.433 2.127 20 0 EEADMM CC(C)COc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589647935 1349016028 /nfs/dbraw/zinc/01/60/28/1349016028.db2.gz AQFGHJMOLIFYGN-UHFFFAOYSA-N -1 1 341.371 2.425 20 0 EEADMM CC(C)COc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589647935 1349016031 /nfs/dbraw/zinc/01/60/31/1349016031.db2.gz AQFGHJMOLIFYGN-UHFFFAOYSA-N -1 1 341.371 2.425 20 0 EEADMM CC1(/C=C/C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001590120189 1349162909 /nfs/dbraw/zinc/16/29/09/1349162909.db2.gz KZCIZEJCRPZBDQ-SNAWJCMRSA-N -1 1 334.401 2.344 20 0 EEADMM C[C@@]1(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CC1(Cl)Cl ZINC001590142383 1349174649 /nfs/dbraw/zinc/17/46/49/1349174649.db2.gz ZOUILPUFAVIQEY-ZDUSSCGKSA-N -1 1 340.214 2.101 20 0 EEADMM CC1CCC(N(C(=O)c2cccc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001590229109 1349214744 /nfs/dbraw/zinc/21/47/44/1349214744.db2.gz AYSVHLYTNAFPNP-UHFFFAOYSA-N -1 1 326.404 2.445 20 0 EEADMM CC1CCC(N(C(=O)c2cccc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001590229109 1349214750 /nfs/dbraw/zinc/21/47/50/1349214750.db2.gz AYSVHLYTNAFPNP-UHFFFAOYSA-N -1 1 326.404 2.445 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590253404 1349228334 /nfs/dbraw/zinc/22/83/34/1349228334.db2.gz FGKRSEFPOODIAP-PWSUYJOCSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590338941 1349274504 /nfs/dbraw/zinc/27/45/04/1349274504.db2.gz SVYJYFUTPXUVLZ-LLVKDONJSA-N -1 1 349.398 2.494 20 0 EEADMM C[C@@H]1c2ccccc2OCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590338941 1349274508 /nfs/dbraw/zinc/27/45/08/1349274508.db2.gz SVYJYFUTPXUVLZ-LLVKDONJSA-N -1 1 349.398 2.494 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590401183 1349302429 /nfs/dbraw/zinc/30/24/29/1349302429.db2.gz CRZHEXORIYJBGT-SWLSCSKDSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590401183 1349302435 /nfs/dbraw/zinc/30/24/35/1349302435.db2.gz CRZHEXORIYJBGT-SWLSCSKDSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H](CSC)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590450734 1349332064 /nfs/dbraw/zinc/33/20/64/1349332064.db2.gz XXTVMVBGTGDACE-QMMMGPOBSA-N -1 1 327.360 2.016 20 0 EEADMM CC[C@@H](CSC)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590450734 1349332071 /nfs/dbraw/zinc/33/20/71/1349332071.db2.gz XXTVMVBGTGDACE-QMMMGPOBSA-N -1 1 327.360 2.016 20 0 EEADMM CCOC(=O)CN(CC(C)C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001590764609 1349396755 /nfs/dbraw/zinc/39/67/55/1349396755.db2.gz IYTPEFMRSTVVAA-UHFFFAOYSA-N -1 1 344.828 2.002 20 0 EEADMM CCOC(=O)CN(CC(C)C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590764609 1349396760 /nfs/dbraw/zinc/39/67/60/1349396760.db2.gz IYTPEFMRSTVVAA-UHFFFAOYSA-N -1 1 344.828 2.002 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001590790485 1349401123 /nfs/dbraw/zinc/40/11/23/1349401123.db2.gz BZFMTUXGLMVNRM-OLZOCXBDSA-N -1 1 343.435 2.174 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001590790485 1349401128 /nfs/dbraw/zinc/40/11/28/1349401128.db2.gz BZFMTUXGLMVNRM-OLZOCXBDSA-N -1 1 343.435 2.174 20 0 EEADMM CCc1nc(NCCc2cc(C)ccc2OC)cc(-c2nnn[n-]2)n1 ZINC001590922148 1349412132 /nfs/dbraw/zinc/41/21/32/1349412132.db2.gz FLIIVYHHEJWBJP-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM CCc1nc(NCCc2cc(C)ccc2OC)cc(-c2nn[n-]n2)n1 ZINC001590922148 1349412139 /nfs/dbraw/zinc/41/21/39/1349412139.db2.gz FLIIVYHHEJWBJP-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM CCc1nc(NCc2cnn(-c3ccccc3)c2)cc(-c2nnn[n-]2)n1 ZINC001590922496 1349412286 /nfs/dbraw/zinc/41/22/86/1349412286.db2.gz AZEAJQCMXFMIGV-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(NCc2cnn(-c3ccccc3)c2)cc(-c2nn[n-]n2)n1 ZINC001590922496 1349412291 /nfs/dbraw/zinc/41/22/91/1349412291.db2.gz AZEAJQCMXFMIGV-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CN(Cc1nc(C(F)(F)F)cs1)c1cccnc1-c1nnn[n-]1 ZINC001591151782 1349441646 /nfs/dbraw/zinc/44/16/46/1349441646.db2.gz FIZZMMPRYUEIMI-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CN(Cc1nc(C(F)(F)F)cs1)c1cccnc1-c1nn[n-]n1 ZINC001591151782 1349441651 /nfs/dbraw/zinc/44/16/51/1349441651.db2.gz FIZZMMPRYUEIMI-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC2CCC(C)(C)CC2)c1 ZINC001591286773 1349456706 /nfs/dbraw/zinc/45/67/06/1349456706.db2.gz PDAVDOKWYSFDHO-UHFFFAOYSA-N -1 1 345.403 2.031 20 0 EEADMM COC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001591381993 1349476092 /nfs/dbraw/zinc/47/60/92/1349476092.db2.gz AJPHPSGYMJAPLA-OAHLLOKOSA-N -1 1 344.806 2.445 20 0 EEADMM COC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001591381993 1349476103 /nfs/dbraw/zinc/47/61/03/1349476103.db2.gz AJPHPSGYMJAPLA-OAHLLOKOSA-N -1 1 344.806 2.445 20 0 EEADMM Cc1cc(C(=O)COc2cnc(-c3nn[n-]n3)nc2)c(Cl)cc1F ZINC001591906905 1349555779 /nfs/dbraw/zinc/55/57/79/1349555779.db2.gz OIUZLNVDFGLEKG-UHFFFAOYSA-N -1 1 348.725 2.019 20 0 EEADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC(C)(C)C(C)C ZINC001591989893 1349579463 /nfs/dbraw/zinc/57/94/63/1349579463.db2.gz ITWAJRWHOZFGSE-UHFFFAOYSA-N -1 1 341.412 2.027 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)n(Cc2ccccc2)n1 ZINC001592031685 1349585603 /nfs/dbraw/zinc/58/56/03/1349585603.db2.gz OJJKCINFQGIXSI-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)n(Cc2ccccc2)n1 ZINC001592031685 1349585614 /nfs/dbraw/zinc/58/56/14/1349585614.db2.gz OJJKCINFQGIXSI-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1cccnc1[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001592263735 1349614987 /nfs/dbraw/zinc/61/49/87/1349614987.db2.gz JNEPQXIWRFSALS-CQSZACIVSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1cccnc1[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001592263735 1349614989 /nfs/dbraw/zinc/61/49/89/1349614989.db2.gz JNEPQXIWRFSALS-CQSZACIVSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1nc(N[C@H]2CCCOc3cc(F)ccc32)cc(-c2nnn[n-]2)n1 ZINC001592383670 1349625885 /nfs/dbraw/zinc/62/58/85/1349625885.db2.gz FPHIOMKGNOOJPZ-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nc(N[C@H]2CCCOc3cc(F)ccc32)cc(-c2nn[n-]n2)n1 ZINC001592383670 1349625887 /nfs/dbraw/zinc/62/58/87/1349625887.db2.gz FPHIOMKGNOOJPZ-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(Cl)cc1F ZINC001592502213 1349638008 /nfs/dbraw/zinc/63/80/08/1349638008.db2.gz ZBMQAJNSIJDZML-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(Cl)cc1F ZINC001592502213 1349638009 /nfs/dbraw/zinc/63/80/09/1349638009.db2.gz ZBMQAJNSIJDZML-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]1C1CC1 ZINC001592505146 1349642692 /nfs/dbraw/zinc/64/26/92/1349642692.db2.gz RVHPOJMSWHEXGZ-GFCCVEGCSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]1C1CC1 ZINC001592505146 1349642697 /nfs/dbraw/zinc/64/26/97/1349642697.db2.gz RVHPOJMSWHEXGZ-GFCCVEGCSA-N -1 1 338.371 2.183 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)sc1-c1nnn[n-]1 ZINC001592540586 1349653033 /nfs/dbraw/zinc/65/30/33/1349653033.db2.gz NHQYYJQSBYPGBP-BWZBUEFSSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)sc1-c1nn[n-]n1 ZINC001592540586 1349653035 /nfs/dbraw/zinc/65/30/35/1349653035.db2.gz NHQYYJQSBYPGBP-BWZBUEFSSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1sc(N2CC[C@H](c3cccnc3)C2)nc1-c1nn[n-]n1 ZINC001592541497 1349653596 /nfs/dbraw/zinc/65/35/96/1349653596.db2.gz AIHFRCKDUBLZND-VIFPVBQESA-N -1 1 333.808 2.366 20 0 EEADMM Clc1sc(NC[C@@H]2CCC3(CCC3)O2)nc1-c1nn[n-]n1 ZINC001592543442 1349654990 /nfs/dbraw/zinc/65/49/90/1349654990.db2.gz OHIZJLVSBVLNMV-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Cn1cc(Nc2ccc(-c3nnn[n-]3)nn2)c(C2CCCCC2)n1 ZINC001592574387 1349661060 /nfs/dbraw/zinc/66/10/60/1349661060.db2.gz GTJBLCNUPXZCBG-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM Cn1cc(Nc2ccc(-c3nn[n-]n3)nn2)c(C2CCCCC2)n1 ZINC001592574387 1349661061 /nfs/dbraw/zinc/66/10/61/1349661061.db2.gz GTJBLCNUPXZCBG-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592614008 1349671175 /nfs/dbraw/zinc/67/11/75/1349671175.db2.gz QNNWNSUUGZIUJQ-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592614008 1349671179 /nfs/dbraw/zinc/67/11/79/1349671179.db2.gz QNNWNSUUGZIUJQ-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM Fc1ccc2oc(COc3ccc(F)nc3-c3nn[n-]n3)nc2c1 ZINC001592654664 1349699085 /nfs/dbraw/zinc/69/90/85/1349699085.db2.gz JIQHOIBVVAIGRK-UHFFFAOYSA-N -1 1 330.254 2.260 20 0 EEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1coc(-c2nnn[n-]2)c1 ZINC001592983719 1349731418 /nfs/dbraw/zinc/73/14/18/1349731418.db2.gz XMIYRCHLZBUVEP-GFCCVEGCSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1coc(-c2nn[n-]n2)c1 ZINC001592983719 1349731420 /nfs/dbraw/zinc/73/14/20/1349731420.db2.gz XMIYRCHLZBUVEP-GFCCVEGCSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592976027 1349731424 /nfs/dbraw/zinc/73/14/24/1349731424.db2.gz FBSWJICRYPDGGP-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592976027 1349731427 /nfs/dbraw/zinc/73/14/27/1349731427.db2.gz FBSWJICRYPDGGP-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCCCOc1ccccc1F)c1csc(-c2nn[n-]n2)c1 ZINC001593078673 1349737040 /nfs/dbraw/zinc/73/70/40/1349737040.db2.gz PHVWDZXMDNKPHI-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCc2ccc(F)cc21 ZINC001593137654 1349739894 /nfs/dbraw/zinc/73/98/94/1349739894.db2.gz MUKRIVFTXPIKJE-UHFFFAOYSA-N -1 1 344.375 2.340 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1nc(Cl)ccc1Cl ZINC001593244992 1349749271 /nfs/dbraw/zinc/74/92/71/1349749271.db2.gz BDRDGWOYJJONGZ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1nc(Cl)ccc1Cl ZINC001593244992 1349749273 /nfs/dbraw/zinc/74/92/73/1349749273.db2.gz BDRDGWOYJJONGZ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1nc2ccc(Cl)nc2s1)c1ccc(-c2nn[n-]n2)o1 ZINC001593265950 1349756544 /nfs/dbraw/zinc/75/65/44/1349756544.db2.gz CKLCURNFJKMXCZ-UHFFFAOYSA-N -1 1 347.747 2.370 20 0 EEADMM O=C([O-])C1([NH2+]Cc2csc(-c3nn[n-]n3)c2)CCC(F)(F)CC1 ZINC001593274583 1349758332 /nfs/dbraw/zinc/75/83/32/1349758332.db2.gz OHXSNASYZVPUPN-UHFFFAOYSA-N -1 1 343.359 2.051 20 0 EEADMM O=C([O-])C[C@@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)C1CCCC1 ZINC001593277462 1349759993 /nfs/dbraw/zinc/75/99/93/1349759993.db2.gz ZLMQNAIXKCUNHT-LBPRGKRZSA-N -1 1 335.433 2.299 20 0 EEADMM O=C(O[C@H]1COc2cc(Cl)ccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593281395 1349760751 /nfs/dbraw/zinc/76/07/51/1349760751.db2.gz XHFAWWBDPSAFIT-LBPRGKRZSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(O[C@H]1COc2cc(Cl)ccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593281395 1349760753 /nfs/dbraw/zinc/76/07/53/1349760753.db2.gz XHFAWWBDPSAFIT-LBPRGKRZSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@]2(CC2(F)F)C1 ZINC001593338300 1349784269 /nfs/dbraw/zinc/78/42/69/1349784269.db2.gz ZQEYTKFOINZJSN-GFCCVEGCSA-N -1 1 325.344 2.190 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@]2(CC2(F)F)C1 ZINC001593338300 1349784273 /nfs/dbraw/zinc/78/42/73/1349784273.db2.gz ZQEYTKFOINZJSN-GFCCVEGCSA-N -1 1 325.344 2.190 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC001593338889 1349784656 /nfs/dbraw/zinc/78/46/56/1349784656.db2.gz JQNUFUNVKKNQOW-ZDUSSCGKSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC001593338889 1349784662 /nfs/dbraw/zinc/78/46/62/1349784662.db2.gz JQNUFUNVKKNQOW-ZDUSSCGKSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001593339736 1349784894 /nfs/dbraw/zinc/78/48/94/1349784894.db2.gz UURQJMDKCKURAL-ZDUSSCGKSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001593339736 1349784897 /nfs/dbraw/zinc/78/48/97/1349784897.db2.gz UURQJMDKCKURAL-ZDUSSCGKSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1Cc2ccc(Cl)cc2C1 ZINC001593340912 1349785615 /nfs/dbraw/zinc/78/56/15/1349785615.db2.gz ORHLCSRJMIQCIB-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1Cc2ccc(Cl)cc2C1 ZINC001593340912 1349785617 /nfs/dbraw/zinc/78/56/17/1349785617.db2.gz ORHLCSRJMIQCIB-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC001593349721 1349788447 /nfs/dbraw/zinc/78/84/47/1349788447.db2.gz DBSIUJAKRUZALZ-QMMMGPOBSA-N -1 1 343.284 2.420 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC001593349721 1349788450 /nfs/dbraw/zinc/78/84/50/1349788450.db2.gz DBSIUJAKRUZALZ-QMMMGPOBSA-N -1 1 343.284 2.420 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2cc(Cl)ccc2C1 ZINC001593358444 1349789571 /nfs/dbraw/zinc/78/95/71/1349789571.db2.gz HRPAKSMMXFJAKC-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2cc(Cl)ccc2C1 ZINC001593358444 1349789572 /nfs/dbraw/zinc/78/95/72/1349789572.db2.gz HRPAKSMMXFJAKC-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(OC2CCCC2)CC1 ZINC001593368260 1349791612 /nfs/dbraw/zinc/79/16/12/1349791612.db2.gz XKHVTKVWFYXEOH-UHFFFAOYSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(OC2CCCC2)CC1 ZINC001593368260 1349791617 /nfs/dbraw/zinc/79/16/17/1349791617.db2.gz XKHVTKVWFYXEOH-UHFFFAOYSA-N -1 1 331.376 2.024 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cccc(Cl)c1F)CCC2 ZINC001593490349 1349817383 /nfs/dbraw/zinc/81/73/83/1349817383.db2.gz FWIBCSNSQOTVLK-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cccc3cccnc31)CCC2 ZINC001593490854 1349817649 /nfs/dbraw/zinc/81/76/49/1349817649.db2.gz PJRSMQGSADQJLH-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCCOc1ccc(Cl)cc1 ZINC001593494052 1349818687 /nfs/dbraw/zinc/81/86/87/1349818687.db2.gz NOQUNDOFSZVEIH-UHFFFAOYSA-N -1 1 331.763 2.151 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001593506183 1349823600 /nfs/dbraw/zinc/82/36/00/1349823600.db2.gz GJQGJRMMGIKREG-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001593506183 1349823602 /nfs/dbraw/zinc/82/36/02/1349823602.db2.gz GJQGJRMMGIKREG-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)cc1 ZINC001593571189 1349855603 /nfs/dbraw/zinc/85/56/03/1349855603.db2.gz REWZKOSTQDHAHD-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)cc1 ZINC001593571189 1349855608 /nfs/dbraw/zinc/85/56/08/1349855608.db2.gz REWZKOSTQDHAHD-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CCOCC2)cc1 ZINC001593571335 1349857634 /nfs/dbraw/zinc/85/76/34/1349857634.db2.gz SBOSMSLBIDOPKN-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CCOCC2)cc1 ZINC001593571335 1349857639 /nfs/dbraw/zinc/85/76/39/1349857639.db2.gz SBOSMSLBIDOPKN-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593580146 1349860824 /nfs/dbraw/zinc/86/08/24/1349860824.db2.gz KLYFHFRZVUZXFW-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593580146 1349860828 /nfs/dbraw/zinc/86/08/28/1349860828.db2.gz KLYFHFRZVUZXFW-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM CCC[C@@H](NC(=O)c1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001595997242 1349900319 /nfs/dbraw/zinc/90/03/19/1349900319.db2.gz NQMGZKOHHKJZME-SECBINFHSA-N -1 1 334.141 2.277 20 0 EEADMM Cc1cc(C)c(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)c1 ZINC001600160667 1349983025 /nfs/dbraw/zinc/98/30/25/1349983025.db2.gz RCEPVDHPIIVPLT-MRXNPFEDSA-N -1 1 332.444 2.162 20 0 EEADMM Cc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001600182668 1349987361 /nfs/dbraw/zinc/98/73/61/1349987361.db2.gz MKMNVEVRJOPOGK-UHFFFAOYSA-N -1 1 347.396 2.470 20 0 EEADMM Cc1cc(CCC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC001600188239 1349988088 /nfs/dbraw/zinc/98/80/88/1349988088.db2.gz JHSYIAYZOSQPQQ-HNNXBMFYSA-N -1 1 329.400 2.243 20 0 EEADMM Cc1cc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)oc1C(=O)[O-] ZINC001600202487 1349991976 /nfs/dbraw/zinc/99/19/76/1349991976.db2.gz OOPOSOIQIRUUPO-UHFFFAOYSA-N -1 1 326.312 2.001 20 0 EEADMM Cc1cc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)no1 ZINC001600205231 1349992844 /nfs/dbraw/zinc/99/28/44/1349992844.db2.gz FYCZBLDNBYVTTF-GOSISDBHSA-N -1 1 329.400 2.192 20 0 EEADMM Cc1cc2oc(=O)cc(CN3CCSC[C@@H]3C(=O)[O-])c2cc1C ZINC001600311790 1350017576 /nfs/dbraw/zinc/01/75/76/1350017576.db2.gz UXXSTSBBVBBYQH-CQSZACIVSA-N -1 1 333.409 2.412 20 0 EEADMM Cc1ccncc1CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001600604778 1350095977 /nfs/dbraw/zinc/09/59/77/1350095977.db2.gz CYOZOZMUXAFJQU-INIZCTEOSA-N -1 1 325.368 2.131 20 0 EEADMM Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cncc(C(=O)[O-])c2)no1 ZINC001600693833 1350117297 /nfs/dbraw/zinc/11/72/97/1350117297.db2.gz RRJCEDLISNLIQP-LQDVMPOASA-N -1 1 328.372 2.382 20 0 EEADMM Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2cncc(C(=O)[O-])c2)no1 ZINC001600693833 1350117302 /nfs/dbraw/zinc/11/73/02/1350117302.db2.gz RRJCEDLISNLIQP-LQDVMPOASA-N -1 1 328.372 2.382 20 0 EEADMM Cn1c2ccccc2nc1[C@@H](NC[C@@](C)(O)C(=O)[O-])c1ccccc1 ZINC001600908100 1350165611 /nfs/dbraw/zinc/16/56/11/1350165611.db2.gz LOGLTAXCBJVXFO-QFBILLFUSA-N -1 1 339.395 2.088 20 0 EEADMM Cn1c(CN2CCC(CC(=O)NC3CCCC3)CC2)ccc1C(=O)[O-] ZINC001600914171 1350167028 /nfs/dbraw/zinc/16/70/28/1350167028.db2.gz ZXLXPTPLGBPXPJ-UHFFFAOYSA-N -1 1 347.459 2.384 20 0 EEADMM O=C([O-])c1ccc2cc(CCNC(=O)CCN3CC[C@@H](F)C3)oc2c1 ZINC001601274790 1350247035 /nfs/dbraw/zinc/24/70/35/1350247035.db2.gz KRRHURCDGGJABU-CQSZACIVSA-N -1 1 348.374 2.224 20 0 EEADMM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001601407551 1350277217 /nfs/dbraw/zinc/27/72/17/1350277217.db2.gz YCIJLEOZFJCREO-ZDUSSCGKSA-N -1 1 335.310 2.085 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC001601770084 1350360280 /nfs/dbraw/zinc/36/02/80/1350360280.db2.gz TWRAGWACFVZZJX-DZGCQCFKSA-N -1 1 346.358 2.280 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(Cc1cn(-c3ccccc3F)nn1)CC2 ZINC001601774943 1350362068 /nfs/dbraw/zinc/36/20/68/1350362068.db2.gz UFUDIXFMQPCBTK-CYBMUJFWSA-N -1 1 330.363 2.093 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2ccn(-c3ccccc3F)n2)C1 ZINC001601856116 1350381469 /nfs/dbraw/zinc/38/14/69/1350381469.db2.gz HLFRMLKCFFPVLH-GFCCVEGCSA-N -1 1 335.404 2.261 20 0 EEADMM O=C([O-])/C=C/c1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)o1 ZINC001601879688 1350388747 /nfs/dbraw/zinc/38/87/47/1350388747.db2.gz UFJAPDYFFNCPNT-XEHSLEBBSA-N -1 1 332.400 2.401 20 0 EEADMM O=C([O-])Cc1csc(NC(=O)CN[C@H]2CCc3c2cccc3F)n1 ZINC001602152562 1350452631 /nfs/dbraw/zinc/45/26/31/1350452631.db2.gz PEQJEHNUDCEAFI-ZDUSSCGKSA-N -1 1 349.387 2.125 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1[N@H+](Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC001602223046 1350469814 /nfs/dbraw/zinc/46/98/14/1350469814.db2.gz NZLFWTCGNBJBMC-QAPCUYQASA-N -1 1 329.352 2.328 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC001602223046 1350469816 /nfs/dbraw/zinc/46/98/16/1350469816.db2.gz NZLFWTCGNBJBMC-QAPCUYQASA-N -1 1 329.352 2.328 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)nc1C1CC1 ZINC001602342393 1350499398 /nfs/dbraw/zinc/49/93/98/1350499398.db2.gz XZYBFGSWZVJFNW-MRXNPFEDSA-N -1 1 343.427 2.290 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)nc1C1CC1 ZINC001602342393 1350499399 /nfs/dbraw/zinc/49/93/99/1350499399.db2.gz XZYBFGSWZVJFNW-MRXNPFEDSA-N -1 1 343.427 2.290 20 0 EEADMM O=C([O-])c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)nn1 ZINC001602370152 1350505856 /nfs/dbraw/zinc/50/58/56/1350505856.db2.gz WNVFHVGHEWTTEK-UHFFFAOYSA-N -1 1 341.293 2.301 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cn1 ZINC001602385575 1350507804 /nfs/dbraw/zinc/50/78/04/1350507804.db2.gz OECUOWRUMVJBHI-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM O=C([O-])c1ccc2c(c1)C(=O)N(CN1CC[C@H](C3CCOCC3)C1)C2 ZINC001602410817 1350513470 /nfs/dbraw/zinc/51/34/70/1350513470.db2.gz VDCGLCWFVXJFRY-HNNXBMFYSA-N -1 1 344.411 2.047 20 0 EEADMM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCc1nc[nH]n1 ZINC001602463058 1350524842 /nfs/dbraw/zinc/52/48/42/1350524842.db2.gz QSTZAQLOLRVMKE-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(Cc3ccccc3C(F)(F)F)C2)nn1 ZINC001602499203 1350532479 /nfs/dbraw/zinc/53/24/79/1350532479.db2.gz LBDITXJASWCBPY-NSHDSACASA-N -1 1 340.305 2.442 20 0 EEADMM O=C([O-])c1coc(C(=O)NCc2ccc(Nc3ccncc3)cc2)c1 ZINC001602550361 1350544151 /nfs/dbraw/zinc/54/41/51/1350544151.db2.gz CJXMBOGSJMWUOQ-UHFFFAOYSA-N -1 1 337.335 2.468 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC001602624999 1350560522 /nfs/dbraw/zinc/56/05/22/1350560522.db2.gz PYJPNRVVBCJIGY-HNNXBMFYSA-N -1 1 337.738 2.369 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001602624765 1350560648 /nfs/dbraw/zinc/56/06/48/1350560648.db2.gz IIZKYJLVXBYROO-GOSISDBHSA-N -1 1 325.368 2.156 20 0 EEADMM C=Cc1ccc(CCNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001602889026 1350601193 /nfs/dbraw/zinc/60/11/93/1350601193.db2.gz FESFMNRNXMZDHD-UHFFFAOYSA-N -1 1 335.371 2.269 20 0 EEADMM C=Cc1ccc(CCNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001602889026 1350601195 /nfs/dbraw/zinc/60/11/95/1350601195.db2.gz FESFMNRNXMZDHD-UHFFFAOYSA-N -1 1 335.371 2.269 20 0 EEADMM CC(=Cc1ccc2c(c1)ncn2C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001602907325 1350604337 /nfs/dbraw/zinc/60/43/37/1350604337.db2.gz XVJMQFRFAXNQKL-RMKNXTFCSA-N -1 1 348.370 2.118 20 0 EEADMM CC(C)CN(CC(C)C)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603288208 1350679972 /nfs/dbraw/zinc/67/99/72/1350679972.db2.gz GVEHWQUGAFSECF-UHFFFAOYSA-N -1 1 343.478 2.231 20 0 EEADMM CC(C)CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccccn1 ZINC001603293999 1350681841 /nfs/dbraw/zinc/68/18/41/1350681841.db2.gz MTCXNIAHDNSGAT-UHFFFAOYSA-N -1 1 329.433 2.376 20 0 EEADMM CC(C)CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccccn1 ZINC001603293999 1350681844 /nfs/dbraw/zinc/68/18/44/1350681844.db2.gz MTCXNIAHDNSGAT-UHFFFAOYSA-N -1 1 329.433 2.376 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603413998 1350702230 /nfs/dbraw/zinc/70/22/30/1350702230.db2.gz LVTLECKLYDBOOO-UHFFFAOYSA-N -1 1 337.343 2.483 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603413998 1350702234 /nfs/dbraw/zinc/70/22/34/1350702234.db2.gz LVTLECKLYDBOOO-UHFFFAOYSA-N -1 1 337.343 2.483 20 0 EEADMM C[C@H](CCCCO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603471467 1350710287 /nfs/dbraw/zinc/71/02/87/1350710287.db2.gz FOMHVHIORZFQRO-MRVPVSSYSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@H](CCCCO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603471467 1350710291 /nfs/dbraw/zinc/71/02/91/1350710291.db2.gz FOMHVHIORZFQRO-MRVPVSSYSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Sc1ccccc1 ZINC001603547587 1350718719 /nfs/dbraw/zinc/71/87/19/1350718719.db2.gz LKYNBSUGZGREJT-SNVBAGLBSA-N -1 1 329.385 2.370 20 0 EEADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Sc1ccccc1 ZINC001603547587 1350718723 /nfs/dbraw/zinc/71/87/23/1350718723.db2.gz LKYNBSUGZGREJT-SNVBAGLBSA-N -1 1 329.385 2.370 20 0 EEADMM CC(C)(NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H]1CCCCO1 ZINC001603685170 1350741707 /nfs/dbraw/zinc/74/17/07/1350741707.db2.gz BIBNVURZISABJV-AWEZNQCLSA-N -1 1 345.399 2.471 20 0 EEADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1cc(F)ccc1N(C)C ZINC001603686827 1350742291 /nfs/dbraw/zinc/74/22/91/1350742291.db2.gz PRWNYNKKAVFIRI-SECBINFHSA-N -1 1 328.355 2.035 20 0 EEADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1cc(F)ccc1N(C)C ZINC001603686827 1350742294 /nfs/dbraw/zinc/74/22/94/1350742294.db2.gz PRWNYNKKAVFIRI-SECBINFHSA-N -1 1 328.355 2.035 20 0 EEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603725521 1350750986 /nfs/dbraw/zinc/75/09/86/1350750986.db2.gz LCHYGIYSOWXIRD-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603725521 1350750990 /nfs/dbraw/zinc/75/09/90/1350750990.db2.gz LCHYGIYSOWXIRD-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM CC1(C)CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)s2)OC1 ZINC001603769699 1350762291 /nfs/dbraw/zinc/76/22/91/1350762291.db2.gz BMTGIECYINXQQR-JTQLQIEISA-N -1 1 335.433 2.253 20 0 EEADMM CC1(C)CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)s2)OC1 ZINC001603769699 1350762293 /nfs/dbraw/zinc/76/22/93/1350762293.db2.gz BMTGIECYINXQQR-JTQLQIEISA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H]1CCC[C@@H](C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001603885044 1350792671 /nfs/dbraw/zinc/79/26/71/1350792671.db2.gz VRBOSSQRSWLXCU-WDEREUQCSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@H]1CCC[C@@H](CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001603887394 1350794002 /nfs/dbraw/zinc/79/40/02/1350794002.db2.gz QYRPFDLGHRZHGA-VHSXEESVSA-N -1 1 341.462 2.033 20 0 EEADMM CC[C@@H](O)CCCNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604067193 1350845893 /nfs/dbraw/zinc/84/58/93/1350845893.db2.gz WUAXPKCMMXQHMF-SECBINFHSA-N -1 1 330.314 2.244 20 0 EEADMM CC[C@@H](O)CCCNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604067193 1350845890 /nfs/dbraw/zinc/84/58/90/1350845890.db2.gz WUAXPKCMMXQHMF-SECBINFHSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cccc(F)n1 ZINC001604076252 1350848170 /nfs/dbraw/zinc/84/81/70/1350848170.db2.gz POEOLKPZKOAPGE-NSHDSACASA-N -1 1 331.347 2.426 20 0 EEADMM C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604125125 1350866380 /nfs/dbraw/zinc/86/63/80/1350866380.db2.gz JBLILCQJBDVLFQ-SCSAIBSYSA-N -1 1 335.687 2.250 20 0 EEADMM CCN(Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604324814 1350915943 /nfs/dbraw/zinc/91/59/43/1350915943.db2.gz LNIXRDAPKUOPHT-UHFFFAOYSA-N -1 1 344.404 2.081 20 0 EEADMM CCN(Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604324814 1350915945 /nfs/dbraw/zinc/91/59/45/1350915945.db2.gz LNIXRDAPKUOPHT-UHFFFAOYSA-N -1 1 344.404 2.081 20 0 EEADMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)C(=O)NCc1ccccc1 ZINC001604349691 1350921449 /nfs/dbraw/zinc/92/14/49/1350921449.db2.gz JIDVUOAQBMCILU-LBPRGKRZSA-N -1 1 330.359 2.318 20 0 EEADMM C[C@@H](NCc1n[nH]c(C2CCOCC2)n1)c1cc(C(=O)[O-])cs1 ZINC001604349881 1350921767 /nfs/dbraw/zinc/92/17/67/1350921767.db2.gz RDUCXIXFMNAINX-SECBINFHSA-N -1 1 336.417 2.309 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC001604484035 1350947912 /nfs/dbraw/zinc/94/79/12/1350947912.db2.gz QZVJQRVGLFXEGP-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC001604484035 1350947913 /nfs/dbraw/zinc/94/79/13/1350947913.db2.gz QZVJQRVGLFXEGP-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM CCc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c(OC)c1 ZINC001604525147 1350955077 /nfs/dbraw/zinc/95/50/77/1350955077.db2.gz WRFVJIFVNQMOFT-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM CCc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c(OC)c1 ZINC001604525147 1350955079 /nfs/dbraw/zinc/95/50/79/1350955079.db2.gz WRFVJIFVNQMOFT-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001604589741 1350966480 /nfs/dbraw/zinc/96/64/80/1350966480.db2.gz ZWAXOSLJTVEBFP-BXUZGUMPSA-N -1 1 348.296 2.094 20 0 EEADMM C[C@H]1CCc2c(sc(=O)n2CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)C1 ZINC001604760812 1350998490 /nfs/dbraw/zinc/99/84/90/1350998490.db2.gz WBNFIDZOZWOZHG-KHIZAZIESA-N -1 1 336.457 2.321 20 0 EEADMM C[C@H]1CN(C(=O)[C@@H]2CCSc3ccccc32)CCN1CCC(=O)[O-] ZINC001604770921 1351000157 /nfs/dbraw/zinc/00/01/57/1351000157.db2.gz JAUSMNYHWGADOR-DZGCQCFKSA-N -1 1 348.468 2.273 20 0 EEADMM CO[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001605007427 1351051770 /nfs/dbraw/zinc/05/17/70/1351051770.db2.gz ANZMPFAPAPFOOT-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001605007427 1351051774 /nfs/dbraw/zinc/05/17/74/1351051774.db2.gz ANZMPFAPAPFOOT-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CC[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025313 1351058979 /nfs/dbraw/zinc/05/89/79/1351058979.db2.gz UMVHZTXOLSSYIV-LBPRGKRZSA-N -1 1 338.385 2.063 20 0 EEADMM CC[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1nnc2n1CCCCC2 ZINC001605095411 1351077674 /nfs/dbraw/zinc/07/76/74/1351077674.db2.gz FSFLOSHSPQREFC-NHCYSSNCSA-N -1 1 328.363 2.011 20 0 EEADMM CCC[C@@H](O)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001605221743 1351108196 /nfs/dbraw/zinc/10/81/96/1351108196.db2.gz UZBJNNPVDYDOTC-HZPDHXFCSA-N -1 1 340.851 2.244 20 0 EEADMM COc1ccc(C2CC2)cc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605267861 1351120177 /nfs/dbraw/zinc/12/01/77/1351120177.db2.gz BVRQJHYSRXYRTF-UHFFFAOYSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc(C2CC2)cc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605267861 1351120179 /nfs/dbraw/zinc/12/01/79/1351120179.db2.gz BVRQJHYSRXYRTF-UHFFFAOYSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccccc1OCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001605335122 1351139063 /nfs/dbraw/zinc/13/90/63/1351139063.db2.gz LRRSZGSWMUULPQ-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COc1ncc(NC(=O)N[C@]2(C)CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001605346368 1351141689 /nfs/dbraw/zinc/14/16/89/1351141689.db2.gz AJLSQZNTGDYXAI-QLJPJBMISA-N -1 1 345.407 2.361 20 0 EEADMM CCCc1cnc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)s1 ZINC001605378100 1351149134 /nfs/dbraw/zinc/14/91/34/1351149134.db2.gz MHVBDEMYBBRNAB-NSHDSACASA-N -1 1 340.449 2.108 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001605393739 1351153117 /nfs/dbraw/zinc/15/31/17/1351153117.db2.gz RDCPMFOZJRJJMO-GFCCVEGCSA-N -1 1 334.383 2.345 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001605393739 1351153119 /nfs/dbraw/zinc/15/31/19/1351153119.db2.gz RDCPMFOZJRJJMO-GFCCVEGCSA-N -1 1 334.383 2.345 20 0 EEADMM Cc1c(C[S@@](C)=O)cccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001605488235 1351169460 /nfs/dbraw/zinc/16/94/60/1351169460.db2.gz RDWLEPNRCSSAJA-HSZRJFAPSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1c(C[S@@](C)=O)cccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001605488235 1351169464 /nfs/dbraw/zinc/16/94/64/1351169464.db2.gz RDWLEPNRCSSAJA-HSZRJFAPSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cccc(Cl)c2C)nn1C ZINC001605490125 1351169646 /nfs/dbraw/zinc/16/96/46/1351169646.db2.gz OVQYSIBIDDOTLP-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cccc(Cl)c2C)nn1C ZINC001605490125 1351169645 /nfs/dbraw/zinc/16/96/45/1351169645.db2.gz OVQYSIBIDDOTLP-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM CCOC(=O)[C@](C)(CNCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001605507431 1351174034 /nfs/dbraw/zinc/17/40/34/1351174034.db2.gz GZNRVEPTHSDFKP-QGZVFWFLSA-N -1 1 348.424 2.452 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc2occc2c1 ZINC001605510442 1351174732 /nfs/dbraw/zinc/17/47/32/1351174732.db2.gz BRSPVJRZHOBAHJ-UHFFFAOYSA-N -1 1 336.311 2.274 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC001605559623 1351190336 /nfs/dbraw/zinc/19/03/36/1351190336.db2.gz CKHPBBBTEXALSJ-SFHVURJKSA-N -1 1 333.399 2.059 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC001605559623 1351190338 /nfs/dbraw/zinc/19/03/38/1351190338.db2.gz CKHPBBBTEXALSJ-SFHVURJKSA-N -1 1 333.399 2.059 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(n3cc(Cl)cn3)CC2)c1 ZINC001605560073 1351190351 /nfs/dbraw/zinc/19/03/51/1351190351.db2.gz NZOGJXDZMGRSFF-UHFFFAOYSA-N -1 1 344.810 2.262 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(n3cc(Cl)cn3)CC2)c1 ZINC001605560073 1351190356 /nfs/dbraw/zinc/19/03/56/1351190356.db2.gz NZOGJXDZMGRSFF-UHFFFAOYSA-N -1 1 344.810 2.262 20 0 EEADMM Cc1cc(NC2CCN(c3ccccc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001605724430 1351218287 /nfs/dbraw/zinc/21/82/87/1351218287.db2.gz XAWWDNQFDQDWKQ-UHFFFAOYSA-N -1 1 335.415 2.073 20 0 EEADMM Cc1cc(NC2CCN(c3ccccc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001605724430 1351218289 /nfs/dbraw/zinc/21/82/89/1351218289.db2.gz XAWWDNQFDQDWKQ-UHFFFAOYSA-N -1 1 335.415 2.073 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001605830382 1351231125 /nfs/dbraw/zinc/23/11/25/1351231125.db2.gz KNRZKNRFINKLFV-CVEARBPZSA-N -1 1 348.443 2.362 20 0 EEADMM Cc1ccc(OC2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001605878959 1351244727 /nfs/dbraw/zinc/24/47/27/1351244727.db2.gz XDSGLMRKDOQNEK-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc2sc(CNc3cc(-c4nnn[n-]4)nc(C)n3)nc2c1 ZINC001605895581 1351249343 /nfs/dbraw/zinc/24/93/43/1351249343.db2.gz YGTRUQDSMOUSNV-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1ccc2sc(CNc3cc(-c4nn[n-]n4)nc(C)n3)nc2c1 ZINC001605895581 1351249344 /nfs/dbraw/zinc/24/93/44/1351249344.db2.gz YGTRUQDSMOUSNV-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)sc2n1 ZINC001605893941 1351249355 /nfs/dbraw/zinc/24/93/55/1351249355.db2.gz SAVJSKDENIIYML-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM Cc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)sc2n1 ZINC001605893941 1351249356 /nfs/dbraw/zinc/24/93/56/1351249356.db2.gz SAVJSKDENIIYML-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM COC(=O)[C@H]1CN(Cc2nc(-c3ccccc3)cs2)C[C@@H]1C(=O)[O-] ZINC001606429559 1351302328 /nfs/dbraw/zinc/30/23/28/1351302328.db2.gz KKYVKNPMWPWEMQ-STQMWFEESA-N -1 1 346.408 2.116 20 0 EEADMM O=C(C/C=C\Cc1ccccc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606508388 1351313813 /nfs/dbraw/zinc/31/38/13/1351313813.db2.gz UWCAWUFYSSBCHD-PLNGDYQASA-N -1 1 340.412 2.128 20 0 EEADMM O=C(C/C=C\Cc1ccccc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606508388 1351313817 /nfs/dbraw/zinc/31/38/17/1351313817.db2.gz UWCAWUFYSSBCHD-PLNGDYQASA-N -1 1 340.412 2.128 20 0 EEADMM O=C(CCSc1cccc(Cl)c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606526514 1351317120 /nfs/dbraw/zinc/31/71/20/1351317120.db2.gz XGSGQHRZQLTMHL-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1ccsc1-c1nnn[n-]1 ZINC001606794906 1351357550 /nfs/dbraw/zinc/35/75/50/1351357550.db2.gz OLNCUNHTPVWNTM-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1cc(F)ccc1F)c1ccsc1-c1nn[n-]n1 ZINC001606794906 1351357552 /nfs/dbraw/zinc/35/75/52/1351357552.db2.gz OLNCUNHTPVWNTM-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCCC(F)(F)C1 ZINC001606892479 1351370899 /nfs/dbraw/zinc/37/08/99/1351370899.db2.gz LTZGDZFZAWUZHC-MRVPVSSYSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(Nc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1)c1ccco1 ZINC001606926032 1351378033 /nfs/dbraw/zinc/37/80/33/1351378033.db2.gz WVIDYENSDAJPJZ-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1)c1ccco1 ZINC001606926032 1351378039 /nfs/dbraw/zinc/37/80/39/1351378039.db2.gz WVIDYENSDAJPJZ-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606929427 1351378659 /nfs/dbraw/zinc/37/86/59/1351378659.db2.gz WLAVBPNBRWUBJD-UHFFFAOYSA-N -1 1 348.366 2.423 20 0 EEADMM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606929427 1351378664 /nfs/dbraw/zinc/37/86/64/1351378664.db2.gz WLAVBPNBRWUBJD-UHFFFAOYSA-N -1 1 348.366 2.423 20 0 EEADMM COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnccc2C)c1 ZINC001606942180 1351380974 /nfs/dbraw/zinc/38/09/74/1351380974.db2.gz SWQAFUFGWDNGFU-UHFFFAOYSA-N -1 1 336.369 2.035 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCSC2(CCC2)CC1 ZINC001606944360 1351381226 /nfs/dbraw/zinc/38/12/26/1351381226.db2.gz QGGSNISJCGRXLX-UHFFFAOYSA-N -1 1 345.432 2.155 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCSC2(CCC2)CC1 ZINC001606944360 1351381231 /nfs/dbraw/zinc/38/12/31/1351381231.db2.gz QGGSNISJCGRXLX-UHFFFAOYSA-N -1 1 345.432 2.155 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(c2ccc(Cl)cc2)C1 ZINC001607030892 1351400958 /nfs/dbraw/zinc/40/09/58/1351400958.db2.gz PEDPOZZTQMMOTM-UHFFFAOYSA-N -1 1 329.747 2.353 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(c2ccc(Cl)cc2)C1 ZINC001607030892 1351400959 /nfs/dbraw/zinc/40/09/59/1351400959.db2.gz PEDPOZZTQMMOTM-UHFFFAOYSA-N -1 1 329.747 2.353 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1cc(C2CC2)no1 ZINC001607089779 1351413414 /nfs/dbraw/zinc/41/34/14/1351413414.db2.gz BDIFXCRLARVVIK-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1CCC(F)(F)CC1)CCC2 ZINC001607089123 1351413450 /nfs/dbraw/zinc/41/34/50/1351413450.db2.gz GZFTZSJWNUQHSF-UHFFFAOYSA-N -1 1 335.358 2.343 20 0 EEADMM O[C@H](CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001607091935 1351414976 /nfs/dbraw/zinc/41/49/76/1351414976.db2.gz MURDUPBWNXIASZ-CQSZACIVSA-N -1 1 337.387 2.070 20 0 EEADMM O[C@H](CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001607091935 1351414978 /nfs/dbraw/zinc/41/49/78/1351414978.db2.gz MURDUPBWNXIASZ-CQSZACIVSA-N -1 1 337.387 2.070 20 0 EEADMM c1cc(-c2ncc(CNc3n[nH]cc3-c3nnn[n-]3)s2)cs1 ZINC001607113979 1351424241 /nfs/dbraw/zinc/42/42/41/1351424241.db2.gz SLHQSNDLYPGBAI-UHFFFAOYSA-N -1 1 330.402 2.387 20 0 EEADMM c1cc(-c2ncc(CNc3n[nH]cc3-c3nn[n-]n3)s2)cs1 ZINC001607113979 1351424242 /nfs/dbraw/zinc/42/42/42/1351424242.db2.gz SLHQSNDLYPGBAI-UHFFFAOYSA-N -1 1 330.402 2.387 20 0 EEADMM c1cc(Oc2ccnc(-c3nn[n-]n3)n2)cc(Oc2cnccn2)c1 ZINC001607125793 1351429610 /nfs/dbraw/zinc/42/96/10/1351429610.db2.gz QDHOZLOJAZKODH-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001607131666 1351432873 /nfs/dbraw/zinc/43/28/73/1351432873.db2.gz HHIOAPCYWLWDCV-NSHDSACASA-N -1 1 335.371 2.122 20 0 EEADMM c1ccc2c(c1)OC[C@@H]2CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001607131666 1351432877 /nfs/dbraw/zinc/43/28/77/1351432877.db2.gz HHIOAPCYWLWDCV-NSHDSACASA-N -1 1 335.371 2.122 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(OCc2noc(C3CCCCC3)n2)c1 ZINC001607134068 1351434795 /nfs/dbraw/zinc/43/47/95/1351434795.db2.gz UETWDBKQQMPWGG-UHFFFAOYSA-N -1 1 327.348 2.271 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(OCc2noc(C3CCCCC3)n2)c1 ZINC001607134068 1351434797 /nfs/dbraw/zinc/43/47/97/1351434797.db2.gz UETWDBKQQMPWGG-UHFFFAOYSA-N -1 1 327.348 2.271 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CNc1ccc(OC2COC2)cc1 ZINC001607138350 1351436218 /nfs/dbraw/zinc/43/62/18/1351436218.db2.gz RIHLINZXDHKVGW-UHFFFAOYSA-N -1 1 329.385 2.318 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001607295099 1351466627 /nfs/dbraw/zinc/46/66/27/1351466627.db2.gz LUZDRXSBDIBYGD-AEFFLSMTSA-N -1 1 348.443 2.230 20 0 EEADMM COc1cccc([C@@H](N)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001607312831 1351470871 /nfs/dbraw/zinc/47/08/71/1351470871.db2.gz KVJTYMPDIWIREE-QGZVFWFLSA-N -1 1 328.368 2.351 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)CC2)c1 ZINC001607625596 1351528195 /nfs/dbraw/zinc/52/81/95/1351528195.db2.gz MNKJNYHPCFQATO-INIZCTEOSA-N -1 1 344.455 2.342 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)C[C@@H](O)c3cccc(F)c3)[nH]c21 ZINC001608289807 1351664385 /nfs/dbraw/zinc/66/43/85/1351664385.db2.gz FJFNUUIHSBHTHG-CYBMUJFWSA-N -1 1 343.314 2.462 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccccc21)c1ccc2c(c1)CCO2 ZINC001608386253 1351683440 /nfs/dbraw/zinc/68/34/40/1351683440.db2.gz SSCAVNFUKOCIKN-OAHLLOKOSA-N -1 1 337.335 2.054 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(-c3nnco3)cc2)c(=O)[n-]1 ZINC001625567667 1352451793 /nfs/dbraw/zinc/45/17/93/1352451793.db2.gz IKBVPXQKCXQANM-UHFFFAOYSA-N -1 1 329.341 2.206 20 0 EEADMM CCC(CC)(NC(=O)c1cccc(-c2cnco2)c1)c1nn[n-]n1 ZINC001626908685 1352477406 /nfs/dbraw/zinc/47/74/06/1352477406.db2.gz NBKWXGORWGGONW-UHFFFAOYSA-N -1 1 326.360 2.300 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccnn1-c1cccc(Cl)c1 ZINC001627085496 1352482677 /nfs/dbraw/zinc/48/26/77/1352482677.db2.gz CKKZFZPMNMOZID-UHFFFAOYSA-N -1 1 331.767 2.000 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1nc2cc3c(cc2[nH]1)OCO3 ZINC001629627154 1352556033 /nfs/dbraw/zinc/55/60/33/1352556033.db2.gz MMHQEDWUCSUXFV-UHFFFAOYSA-N -1 1 327.296 2.258 20 0 EEADMM Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(Br)cc2)n[n-]1 ZINC001645797867 1352801682 /nfs/dbraw/zinc/80/16/82/1352801682.db2.gz CJBISNGBUKECTA-ZETCQYMHSA-N -1 1 330.207 2.411 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(Sc2ccccc2)CC1 ZINC001646269999 1352824832 /nfs/dbraw/zinc/82/48/32/1352824832.db2.gz QTXQSGKOSDKAHL-UHFFFAOYSA-N -1 1 329.429 2.231 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@H]1CCO[C@H](C)C1 ZINC001647137755 1353159036 /nfs/dbraw/zinc/15/90/36/1353159036.db2.gz WHIJGMIQNQVVNU-MNOVXSKESA-N -1 1 349.399 2.457 20 0 EEADMM CC(C)c1ccc(OCCC(=O)N2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001649335678 1353484771 /nfs/dbraw/zinc/48/47/71/1353484771.db2.gz MJLGOGKVPQGIIA-AWEZNQCLSA-N -1 1 329.404 2.108 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c1Cl ZINC001649762016 1353589297 /nfs/dbraw/zinc/58/92/97/1353589297.db2.gz DJGKLVOPPZTMPF-UHFFFAOYSA-N -1 1 335.763 2.490 20 0 EEADMM COC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001649794031 1353600889 /nfs/dbraw/zinc/60/08/89/1353600889.db2.gz NQQVHGOCPJXDQI-ONGXEEELSA-N -1 1 335.784 2.099 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1cc(C)nc(C)c1 ZINC001649836599 1353620244 /nfs/dbraw/zinc/62/02/44/1353620244.db2.gz BJTHORUYHUGTSV-UHFFFAOYSA-N -1 1 342.367 2.464 20 0 EEADMM C[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001650012800 1353687782 /nfs/dbraw/zinc/68/77/82/1353687782.db2.gz AZFWYFDJBZMAMR-ZENOOKHLSA-N -1 1 339.457 2.236 20 0 EEADMM O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2ccc(O)cc2c1[O-] ZINC001650684269 1354026541 /nfs/dbraw/zinc/02/65/41/1354026541.db2.gz RQUOXUUTDSVRHD-UHFFFAOYSA-N -1 1 347.334 2.479 20 0 EEADMM COC(=O)c1ccc2[nH]c(CSc3ncc(C)c(=O)[n-]3)nc2c1 ZINC001652851350 1354105287 /nfs/dbraw/zinc/10/52/87/1354105287.db2.gz HFABGFSEZSHDTC-UHFFFAOYSA-N -1 1 330.369 2.446 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)Nc1ccccc1 ZINC001661180221 1354601832 /nfs/dbraw/zinc/60/18/32/1354601832.db2.gz AUTDOICAIOQRNO-UHFFFAOYSA-N -1 1 348.355 2.489 20 0 EEADMM Cn1ccc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)n1 ZINC001663176713 1354932092 /nfs/dbraw/zinc/93/20/92/1354932092.db2.gz LWUSLYIPJDDYDN-UHFFFAOYSA-N -1 1 334.426 2.022 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001388993636 1387868122 /nfs/dbraw/zinc/86/81/22/1387868122.db2.gz XDLFNICMJGTCEU-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM COc1cccc(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1C ZINC001186465588 1368201171 /nfs/dbraw/zinc/20/11/71/1368201171.db2.gz AWRXCJICWCIGSP-UHFFFAOYSA-N -1 1 345.359 2.144 20 0 EEADMM C[C@H](NC(=O)c1n[n-]nc1C(F)(F)F)c1cccc(N(C)C)c1 ZINC001187773243 1368262923 /nfs/dbraw/zinc/26/29/23/1368262923.db2.gz BKCNHGJFXSBGJX-QMMMGPOBSA-N -1 1 327.310 2.381 20 0 EEADMM COC(=O)[C@@H](NC(=O)Nc1cccc([O-])c1Br)C(C)C ZINC001190245062 1368400578 /nfs/dbraw/zinc/40/05/78/1368400578.db2.gz ULWKKNVBVJLUGW-NSHDSACASA-N -1 1 345.193 2.474 20 0 EEADMM CCOC(=O)[C@H](CCSC)NC(=O)Nc1ccc(F)cc1[O-] ZINC001193228439 1368453398 /nfs/dbraw/zinc/45/33/98/1368453398.db2.gz YCJCXJMSRIUSNB-NSHDSACASA-N -1 1 330.381 2.338 20 0 EEADMM COC(=O)c1cc(NC(=O)c2cc([O-])cnc2Cl)cc2n[nH]cc21 ZINC001195306569 1368518081 /nfs/dbraw/zinc/51/80/81/1368518081.db2.gz UDYIPCSOQJLPJV-UHFFFAOYSA-N -1 1 346.730 2.356 20 0 EEADMM COC(C)(C)CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000867727928 1368564155 /nfs/dbraw/zinc/56/41/55/1368564155.db2.gz QYXZWIDEHNWUIJ-UHFFFAOYSA-N -1 1 326.212 2.136 20 0 EEADMM O=C(CCCCNC(=O)c1ncccc1[O-])OCc1ccccc1 ZINC000121503781 1368627134 /nfs/dbraw/zinc/62/71/34/1368627134.db2.gz AESKQIULRLVNEE-UHFFFAOYSA-N -1 1 328.368 2.431 20 0 EEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)C12CCC2 ZINC000867386849 1368808670 /nfs/dbraw/zinc/80/86/70/1368808670.db2.gz MQICKHSGXYVXEV-UWVGGRQHSA-N -1 1 334.800 2.110 20 0 EEADMM CC(=O)CCCCCC[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000867441035 1368937335 /nfs/dbraw/zinc/93/73/35/1368937335.db2.gz HOPPBRXAHWICRC-UHFFFAOYSA-N -1 1 341.355 2.246 20 0 EEADMM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000109424238 1369237855 /nfs/dbraw/zinc/23/78/55/1369237855.db2.gz CKZUIHASTBTIOW-UHFFFAOYSA-N -1 1 332.381 2.224 20 0 EEADMM O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1c([O-])cccc1Cl ZINC000856142173 1369409679 /nfs/dbraw/zinc/40/96/79/1369409679.db2.gz BVWIGJVCDHDEMV-NSHDSACASA-N -1 1 337.807 2.066 20 0 EEADMM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000856309980 1369412568 /nfs/dbraw/zinc/41/25/68/1369412568.db2.gz UCGHCJIUXPVIOI-KZULUSFZSA-N -1 1 349.431 2.466 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C(C1CC1)C1CC1)NC(=O)c1ncccc1[O-] ZINC001413703426 1370535601 /nfs/dbraw/zinc/53/56/01/1370535601.db2.gz NPMZEYVXNQBNRC-NWDGAFQWSA-N -1 1 345.443 2.237 20 0 EEADMM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952862 1370586787 /nfs/dbraw/zinc/58/67/87/1370586787.db2.gz RQHHHCZFGAUUER-TZMCWYRMSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H]1C[C@H](NC(=O)CCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001074902224 1370958496 /nfs/dbraw/zinc/95/84/96/1370958496.db2.gz JZKFBZHSPYVQAN-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM C[N-]S(=O)(=O)c1cc(-c2nnc(CCc3ccccc3)o2)co1 ZINC001117257071 1371746993 /nfs/dbraw/zinc/74/69/93/1371746993.db2.gz FTAVCQNVEOBACX-UHFFFAOYSA-N -1 1 333.369 2.023 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001123927958 1372198253 /nfs/dbraw/zinc/19/82/53/1372198253.db2.gz HSRRMDYIIAAEJB-WDEREUQCSA-N -1 1 331.397 2.074 20 0 EEADMM C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830841737 1372353548 /nfs/dbraw/zinc/35/35/48/1372353548.db2.gz UJFQIWASUGPKHY-IAQYHMDHSA-N -1 1 344.333 2.123 20 0 EEADMM O=C([O-])c1ccccc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001140501939 1372589340 /nfs/dbraw/zinc/58/93/40/1372589340.db2.gz QOAMTKZZMDNANT-UHFFFAOYSA-N -1 1 340.427 2.193 20 0 EEADMM CC(=O)N[C@H](C)COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000835721972 1372649713 /nfs/dbraw/zinc/64/97/13/1372649713.db2.gz XPRLBDKNMHQKKU-GFCCVEGCSA-N -1 1 344.367 2.053 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCc2ccncc2F)c(=O)[n-]1 ZINC000836007174 1372675839 /nfs/dbraw/zinc/67/58/39/1372675839.db2.gz UNKNKYCZYGVUMV-UHFFFAOYSA-N -1 1 337.376 2.423 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000837851530 1372808926 /nfs/dbraw/zinc/80/89/26/1372808926.db2.gz WADDEJDSXXLYRO-DOMZBBRYSA-N -1 1 333.384 2.321 20 0 EEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C(C)C)nc2ccccn21 ZINC001356069957 1373188478 /nfs/dbraw/zinc/18/84/78/1373188478.db2.gz KPSQETYUKORPIJ-UHFFFAOYSA-N -1 1 333.417 2.300 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C)COc2cccc(F)c2)c(=O)[n-]1 ZINC001361957347 1373356629 /nfs/dbraw/zinc/35/66/29/1373356629.db2.gz KHXYXMSKDLBQMB-VIFPVBQESA-N -1 1 337.376 2.241 20 0 EEADMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cnc(SC)[n-]c2=O)[nH]1 ZINC001362430795 1373407228 /nfs/dbraw/zinc/40/72/28/1373407228.db2.gz ZEZSHJYYKHVIJY-JGVFFNPUSA-N -1 1 336.421 2.027 20 0 EEADMM CSc1ncc(C(=O)NCc2ccc(Br)o2)c(=O)[n-]1 ZINC001362653465 1373442322 /nfs/dbraw/zinc/44/23/22/1373442322.db2.gz OLKKIIAGJTZLQQ-UHFFFAOYSA-N -1 1 344.190 2.190 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)c2c(F)cncc2F)c(=O)[n-]1 ZINC001363176113 1373488039 /nfs/dbraw/zinc/48/80/39/1373488039.db2.gz OCYRLRKMYYFCEP-ZCFIWIBFSA-N -1 1 326.328 2.068 20 0 EEADMM COC(=O)[C@@H](CNC(=O)c1c([O-])cccc1Cl)Oc1ccccc1 ZINC001363537555 1373530627 /nfs/dbraw/zinc/53/06/27/1373530627.db2.gz MKEPGEQPXWKBQX-CQSZACIVSA-N -1 1 349.770 2.396 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cccs2)c1F ZINC001365619832 1373744963 /nfs/dbraw/zinc/74/49/63/1373744963.db2.gz VLHNPROCCAYPDT-UHFFFAOYSA-N -1 1 347.364 2.291 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cocc1C ZINC001370061439 1374777426 /nfs/dbraw/zinc/77/74/26/1374777426.db2.gz UODFZSIERJWSQO-CYBMUJFWSA-N -1 1 345.399 2.407 20 0 EEADMM C[C@H](NC(=O)CC(C)(C)C1CC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001370099801 1374801989 /nfs/dbraw/zinc/80/19/89/1374801989.db2.gz FGTLXRZRCBAIDA-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])[C@H](C)c1ncc(C)o1 ZINC001372685603 1376140453 /nfs/dbraw/zinc/14/04/53/1376140453.db2.gz CEOAFUALKPIIOI-CYBMUJFWSA-N -1 1 332.404 2.287 20 0 EEADMM CCC(CC)[C@H](C)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001374823897 1377095640 /nfs/dbraw/zinc/09/56/40/1377095640.db2.gz IYXIAOPDPPZDDZ-LBPRGKRZSA-N -1 1 333.432 2.048 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cc(C)c1 ZINC001375056909 1377325514 /nfs/dbraw/zinc/32/55/14/1377325514.db2.gz CSXVRJGMLJYCCS-OAHLLOKOSA-N -1 1 341.411 2.342 20 0 EEADMM C[C@@]1(CNC(=O)CC2CCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380007085 1380993467 /nfs/dbraw/zinc/99/34/67/1380993467.db2.gz DXVUNOLDQASMHM-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)C1(C)CC1 ZINC001381026586 1381490307 /nfs/dbraw/zinc/49/03/07/1381490307.db2.gz HHHRJOMRNLBTNF-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC1CCCCC1 ZINC001382510409 1382105308 /nfs/dbraw/zinc/10/53/08/1382105308.db2.gz LKHLEWVOIGVPLD-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CCC(CC)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384147696 1382821699 /nfs/dbraw/zinc/82/16/99/1382821699.db2.gz ORRARCCCOBLKIM-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219067 1386576962 /nfs/dbraw/zinc/57/69/62/1386576962.db2.gz CNHMYNPAJGHUGU-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1csc(C)c1C ZINC001388058579 1387162147 /nfs/dbraw/zinc/16/21/47/1387162147.db2.gz TXMMMKGOFWEJQU-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM CC[C@H](CNC(=O)C1(F)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001388181493 1387234701 /nfs/dbraw/zinc/23/47/01/1387234701.db2.gz LEYLHIMVTXGSJP-GFCCVEGCSA-N -1 1 337.395 2.084 20 0 EEADMM C[C@@H](NCCN(C)C(=O)c1ncccc1[O-])c1ncc(C(C)(C)C)o1 ZINC001391204304 1389129950 /nfs/dbraw/zinc/12/99/50/1389129950.db2.gz DHVBHUWGSOMHSE-GFCCVEGCSA-N -1 1 346.431 2.496 20 0 EEADMM CN(CCN(C)C(=O)[C@H]1CCC(C)(C)C1)C(=O)c1ncccc1[O-] ZINC001391804989 1389616420 /nfs/dbraw/zinc/61/64/20/1389616420.db2.gz CDGKVRXUUGMPAV-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM CCCc1ccc(C(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC001392233428 1389917020 /nfs/dbraw/zinc/91/70/20/1389917020.db2.gz MSSIRCCZQXRNGT-OAHLLOKOSA-N -1 1 345.447 2.007 20 0 EEADMM Cc1cnc([C@@H](C)NCC(C)(C)CN(C)C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001394016837 1390586355 /nfs/dbraw/zinc/58/63/55/1390586355.db2.gz LYDABVGRPLCAQU-GFCCVEGCSA-N -1 1 349.435 2.169 20 0 EEADMM CC(C)(C)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001395948858 1390885966 /nfs/dbraw/zinc/88/59/66/1390885966.db2.gz LMSMRXJWRJWSHN-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397007028 1391001777 /nfs/dbraw/zinc/00/17/77/1391001777.db2.gz CZMMCPCEMDUGKH-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)CC1(C)CC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398414858 1392557172 /nfs/dbraw/zinc/55/71/72/1392557172.db2.gz LYRGPLOHYBIVJR-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CCCCC(=O)NC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001399552503 1395239847 /nfs/dbraw/zinc/23/98/47/1395239847.db2.gz GXIZQVZILMIDMZ-AWEZNQCLSA-N -1 1 348.447 2.120 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])Cc1nc(C)c(C)o1 ZINC001399953365 1395738417 /nfs/dbraw/zinc/73/84/17/1395738417.db2.gz HLUGWPWRZUCCEU-UHFFFAOYSA-N -1 1 332.404 2.034 20 0 EEADMM CC(C)C[C@H](CN[C@@H](C)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001401272355 1397106935 /nfs/dbraw/zinc/10/69/35/1397106935.db2.gz DRGKSUGAXXSMFG-NWDGAFQWSA-N -1 1 349.460 2.134 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCC(N(C)CC=C(Cl)Cl)CC2)c1[O-] ZINC001422929062 1400285252 /nfs/dbraw/zinc/28/52/52/1400285252.db2.gz GWXJGVYTDLRDGH-UHFFFAOYSA-N -1 1 347.246 2.279 20 0 EEADMM CCC[C@@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001423992438 1400856621 /nfs/dbraw/zinc/85/66/21/1400856621.db2.gz KOEQHURYQUDQLH-CYBMUJFWSA-N -1 1 335.448 2.438 20 0 EEADMM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC001424114500 1400917697 /nfs/dbraw/zinc/91/76/97/1400917697.db2.gz NLMSIZFJVIVSBX-LLVKDONJSA-N -1 1 344.387 2.142 20 0 EEADMM CCCC(=O)N(C)C[C@@H]1CCN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001426716798 1402158910 /nfs/dbraw/zinc/15/89/10/1402158910.db2.gz NSFIHZSAXWGQQG-ZDUSSCGKSA-N -1 1 348.447 2.087 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC001428055517 1402600640 /nfs/dbraw/zinc/60/06/40/1402600640.db2.gz FJCBEYDXAPYIGU-OLZOCXBDSA-N -1 1 333.432 2.333 20 0 EEADMM CC(C)Oc1cc(C(N)=O)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC001434115226 1403456581 /nfs/dbraw/zinc/45/65/81/1403456581.db2.gz AXDSWJBJFYEGGM-UHFFFAOYSA-N -1 1 330.340 2.236 20 0 EEADMM C[C@H]1COc2ccccc2N1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576378314 1403568954 /nfs/dbraw/zinc/56/89/54/1403568954.db2.gz PWJSOPXYZRIJQZ-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM CCCC1CCC(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001577393659 1403644324 /nfs/dbraw/zinc/64/43/24/1403644324.db2.gz XONMEBMBACJXJF-UHFFFAOYSA-N -1 1 344.419 2.364 20 0 EEADMM CCCCC(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577421195 1403649801 /nfs/dbraw/zinc/64/98/01/1403649801.db2.gz GUVZJACCXHSIFJ-SECBINFHSA-N -1 1 337.453 2.129 20 0 EEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NCc1ccc(-c2nnn[n-]2)o1 ZINC001590754081 1403895233 /nfs/dbraw/zinc/89/52/33/1403895233.db2.gz ZSZRWZYGSRXWAA-GFCCVEGCSA-N -1 1 335.408 2.307 20 0 EEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NCc1ccc(-c2nn[n-]n2)o1 ZINC001590754081 1403895239 /nfs/dbraw/zinc/89/52/39/1403895239.db2.gz ZSZRWZYGSRXWAA-GFCCVEGCSA-N -1 1 335.408 2.307 20 0 EEADMM CCOC(=O)[C@@H](O)Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001590754541 1403895473 /nfs/dbraw/zinc/89/54/73/1403895473.db2.gz YBXLGOHYJSIOJT-LBPRGKRZSA-N -1 1 344.396 2.062 20 0 EEADMM COC(=O)c1ccc(Oc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001591297897 1403902682 /nfs/dbraw/zinc/90/26/82/1403902682.db2.gz BHHWXWISUHMYHR-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COC(=O)c1ccc(Oc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001591297897 1403902718 /nfs/dbraw/zinc/90/27/18/1403902718.db2.gz BHHWXWISUHMYHR-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM Cc1c(NC(=O)c2csc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC001591829181 1403952496 /nfs/dbraw/zinc/95/24/96/1403952496.db2.gz UMIYRRGQIZWQQV-UHFFFAOYSA-N -1 1 331.405 2.341 20 0 EEADMM Cc1c(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cnn1CC(C)C ZINC001591828208 1403952675 /nfs/dbraw/zinc/95/26/75/1403952675.db2.gz AIBCIAVEEOBAMV-UHFFFAOYSA-N -1 1 339.407 2.439 20 0 EEADMM Cc1c(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cnn1CC(C)C ZINC001591828208 1403952686 /nfs/dbraw/zinc/95/26/86/1403952686.db2.gz AIBCIAVEEOBAMV-UHFFFAOYSA-N -1 1 339.407 2.439 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)c2ccc(F)cc2F)n1 ZINC001591894487 1403970119 /nfs/dbraw/zinc/97/01/19/1403970119.db2.gz IEQVMNSOEWFIRD-MRVPVSSYSA-N -1 1 331.330 2.459 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)c2ccc(F)cc2F)n1 ZINC001591894487 1403970126 /nfs/dbraw/zinc/97/01/26/1403970126.db2.gz IEQVMNSOEWFIRD-MRVPVSSYSA-N -1 1 331.330 2.459 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001591894467 1403970460 /nfs/dbraw/zinc/97/04/60/1403970460.db2.gz WOPZYKULRICLBM-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCc3cnn(C(C)C)c32)n1 ZINC001591894467 1403970464 /nfs/dbraw/zinc/97/04/64/1403970464.db2.gz WOPZYKULRICLBM-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592138252 1404006066 /nfs/dbraw/zinc/00/60/66/1404006066.db2.gz VGNOOPJHCVWLKQ-YGRLFVJLSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592138252 1404006072 /nfs/dbraw/zinc/00/60/72/1404006072.db2.gz VGNOOPJHCVWLKQ-YGRLFVJLSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC001592480434 1404701507 /nfs/dbraw/zinc/70/15/07/1404701507.db2.gz MDGPFTGPPOSQJJ-VHSXEESVSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC001592480434 1404701513 /nfs/dbraw/zinc/70/15/13/1404701513.db2.gz MDGPFTGPPOSQJJ-VHSXEESVSA-N -1 1 333.421 2.428 20 0 EEADMM O=C(CSCc1nc(-c2nnn[n-]2)cs1)OC1CCCCC1 ZINC001592904416 1404727764 /nfs/dbraw/zinc/72/77/64/1404727764.db2.gz UDJDLVQKTSFTJU-UHFFFAOYSA-N -1 1 339.446 2.432 20 0 EEADMM O=C(CSCc1nc(-c2nn[n-]n2)cs1)OC1CCCCC1 ZINC001592904416 1404727768 /nfs/dbraw/zinc/72/77/68/1404727768.db2.gz UDJDLVQKTSFTJU-UHFFFAOYSA-N -1 1 339.446 2.432 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001593044416 1404740163 /nfs/dbraw/zinc/74/01/63/1404740163.db2.gz HRIQBSMDJFUTHH-NSHDSACASA-N -1 1 339.424 2.463 20 0 EEADMM 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CC1(C)CN(Cc2nccs2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000940703752 779149558 /nfs/dbraw/zinc/14/95/58/779149558.db2.gz UOBCQTNVXARQLP-ZDUSSCGKSA-N -1 1 346.456 2.274 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832394 779377952 /nfs/dbraw/zinc/37/79/52/779377952.db2.gz FRBWNVSCPPQJNT-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@H]1CC=CC[C@H]1C ZINC000067019269 779451871 /nfs/dbraw/zinc/45/18/71/779451871.db2.gz NLDMCEUEQRERQW-BXUZGUMPSA-N -1 1 329.400 2.327 20 0 EEADMM CO[C@H]1COCC[C@@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000893835125 780213363 /nfs/dbraw/zinc/21/33/63/780213363.db2.gz JNCRJTOMAJMYKZ-AAEUAGOBSA-N -1 1 344.205 2.031 20 0 EEADMM CC(C)CN1C(=O)C(=CNc2ccc3c(c2)CCC3)C(=O)[N-]C1=S ZINC000060863546 790806216 /nfs/dbraw/zinc/80/62/16/790806216.db2.gz ICZDIOJIBGLAOZ-DHDCSXOGSA-N -1 1 343.452 2.370 20 0 EEADMM CC(C)Oc1cccc(F)c1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001211777859 780882357 /nfs/dbraw/zinc/88/23/57/780882357.db2.gz 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COc1ccc([C@H](NCc2ccccc2N(C)C)C(=O)[O-])cc1O ZINC001599531537 997662969 /nfs/dbraw/zinc/66/29/69/997662969.db2.gz MRKNFGRVQGECQV-KRWDZBQOSA-N -1 1 330.384 2.382 20 0 EEADMM COC(=O)c1cc(COC(=O)CN2[C@@H](C)CC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001598934667 997840268 /nfs/dbraw/zinc/84/02/68/997840268.db2.gz OIEQNSCHMBYKJN-RYUDHWBXSA-N -1 1 349.383 2.087 20 0 EEADMM COc1cc(OC)c(OC)cc1CNCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599449952 998074637 /nfs/dbraw/zinc/07/46/37/998074637.db2.gz RTBVOGUUURYDQV-UHFFFAOYSA-N -1 1 334.372 2.337 20 0 EEADMM COCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599143781 998177362 /nfs/dbraw/zinc/17/73/62/998177362.db2.gz DFFLTZVQEQDDTA-OAHLLOKOSA-N -1 1 334.397 2.249 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)c1O ZINC001599359016 998228966 /nfs/dbraw/zinc/22/89/66/998228966.db2.gz USRBFYQIMPVEDU-KWQFWETISA-N -1 1 345.355 2.127 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCCCCC1 ZINC001598966121 998424140 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325.416 2.175 20 0 EEADMM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1cccnc1Cl ZINC001116762903 1126145428 /nfs/dbraw/zinc/14/54/28/1126145428.db2.gz JAIWIMXIFPBCKD-VIFPVBQESA-N -1 1 348.712 2.193 20 0 EEADMM CCC(CC)(NC(=O)c1[nH]c(-c2ccccc2)nc1C)c1nn[n-]n1 ZINC001449018195 1094020068 /nfs/dbraw/zinc/02/00/68/1094020068.db2.gz RVBFETVMGXKULQ-UHFFFAOYSA-N -1 1 339.403 2.344 20 0 EEADMM O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cc([O-])c(F)cc1F ZINC001450900183 1095437571 /nfs/dbraw/zinc/43/75/71/1095437571.db2.gz MPTRRWPBUAGXPJ-CQSZACIVSA-N -1 1 334.278 2.399 20 0 EEADMM CC[C@H](C)CC(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001442583023 1096948496 /nfs/dbraw/zinc/94/84/96/1096948496.db2.gz RVQZFGMUXMYWJI-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM C[C@H]1CCCC[C@@]1(CNC(=O)C1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001451324504 1097590543 /nfs/dbraw/zinc/59/05/43/1097590543.db2.gz LNEDVKYWBXMMMN-DJJJIMSYSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001451361205 1097613206 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C[C@@H](CSC(F)(F)F)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001467972083 1110466954 /nfs/dbraw/zinc/46/69/54/1110466954.db2.gz YVXSBUMOTCRPBB-ZETCQYMHSA-N -1 1 339.339 2.370 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nn2ccccc2=O)c([O-])c1 ZINC001472538337 1110558494 /nfs/dbraw/zinc/55/84/94/1110558494.db2.gz WNBPWNVIJJRYQA-UHFFFAOYSA-N -1 1 345.355 2.285 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001472570926 1110559326 /nfs/dbraw/zinc/55/93/26/1110559326.db2.gz VGQGURHNNXJABF-UHFFFAOYSA-N -1 1 329.356 2.337 20 0 EEADMM O=S(=O)([N-]Cc1ncccn1)c1c(Cl)cc(F)cc1Cl ZINC001475640722 1110616224 /nfs/dbraw/zinc/61/62/24/1110616224.db2.gz GNRNMEJTTVOVFV-UHFFFAOYSA-N -1 1 336.175 2.401 20 0 EEADMM C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001508652978 1115597544 /nfs/dbraw/zinc/59/75/44/1115597544.db2.gz TXBDBOXCGOHNRA-LBPRGKRZSA-N -1 1 333.432 2.048 20 0 EEADMM CC[C@H](C)CC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001508657400 1115598771 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CCC[C@H](C)C(=O)NC1CC2(CC(NC(=O)c3ncccc3[O-])C2)C1 ZINC001522474652 1119398324 /nfs/dbraw/zinc/39/83/24/1119398324.db2.gz DIEFZYVBFJJIKM-SLUJNAFXSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])ccc1Cl ZINC001526515242 1120534000 /nfs/dbraw/zinc/53/40/00/1120534000.db2.gz YQJRTDLEQDQECD-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@H](C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001527562203 1120819759 /nfs/dbraw/zinc/81/97/59/1120819759.db2.gz GVOIUBSPSZWWQA-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM CCn1ccnc1[C@H]1OCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC001549445783 1121266892 /nfs/dbraw/zinc/26/68/92/1121266892.db2.gz WKIFSYJGUSVLSP-NHYWBVRUSA-N -1 1 333.363 2.255 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H]2[C@@H](O)C(C)(C)[C@@H]21 ZINC001549867624 1121501853 /nfs/dbraw/zinc/50/18/53/1121501853.db2.gz PCURSQJFUXTHRM-IACUBPJLSA-N -1 1 333.432 2.236 20 0 EEADMM O=C([O-])[C@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1c1ccccc1 ZINC001549923900 1121536789 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ZINC000832907716 602144333 /nfs/dbraw/zinc/14/43/33/602144333.db2.gz IRUQPONSECDUMQ-UHFFFAOYSA-N -1 1 342.311 2.089 20 0 EEADMM CC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000824837656 607595749 /nfs/dbraw/zinc/59/57/49/607595749.db2.gz IYJNQIDYQNRTKP-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccs1 ZINC000833772574 604460426 /nfs/dbraw/zinc/46/04/26/604460426.db2.gz CZJUVGIBGHAWEB-LBPRGKRZSA-N -1 1 342.380 2.479 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1nnc(C(C)(C)C)s1)C(=O)[O-] ZINC000829193611 604474519 /nfs/dbraw/zinc/47/45/19/604474519.db2.gz BAPIATGMBCGDRJ-AWEZNQCLSA-N -1 1 328.438 2.007 20 0 EEADMM C[C@@H](c1ccccn1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833550432 604564859 /nfs/dbraw/zinc/56/48/59/604564859.db2.gz VWDOSLJPOFTCAE-ZFWWWQNUSA-N -1 1 330.384 2.213 20 0 EEADMM C[C@@H](CN(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C(=O)[O-] ZINC000827442489 604671904 /nfs/dbraw/zinc/67/19/04/604671904.db2.gz NCTAZOOYBBSTDG-ZETCQYMHSA-N -1 1 329.278 2.306 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccco1 ZINC000829666711 604675640 /nfs/dbraw/zinc/67/56/40/604675640.db2.gz PWWLZJJNFNNUHA-ZIAGYGMSSA-N -1 1 337.420 2.311 20 0 EEADMM C[C@@]1(NS(=O)(=O)c2c(F)cccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570385 604809080 /nfs/dbraw/zinc/80/90/80/604809080.db2.gz SEIAIPSYDNPXRY-YMTOWFKASA-N -1 1 333.356 2.277 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccccc1Cl ZINC000833621248 605107953 /nfs/dbraw/zinc/10/79/53/605107953.db2.gz MXMQVEFZJVGDFY-YBJDMEARSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Cl)c1F ZINC000833625156 605111775 /nfs/dbraw/zinc/11/17/75/605111775.db2.gz JYCRNOPPDZKWHQ-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM CC1(O)CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833570861 605204799 /nfs/dbraw/zinc/20/47/99/605204799.db2.gz GGRNFSBNEADNKD-LBPRGKRZSA-N -1 1 328.206 2.422 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)CCN1CCC(=O)[O-] ZINC000833619582 605278687 /nfs/dbraw/zinc/27/86/87/605278687.db2.gz CRNJJGRSFZGIJW-VIFPVBQESA-N -1 1 346.761 2.239 20 0 EEADMM CN1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000833697495 605554507 /nfs/dbraw/zinc/55/45/07/605554507.db2.gz MHLPRFWSVWNIBS-UHFFFAOYSA-N -1 1 343.330 2.156 20 0 EEADMM C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824392502 607764809 /nfs/dbraw/zinc/76/48/09/607764809.db2.gz OSOUWHRSDDPEBT-IUCAKERBSA-N -1 1 349.441 2.232 20 0 EEADMM C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824392502 607764810 /nfs/dbraw/zinc/76/48/10/607764810.db2.gz OSOUWHRSDDPEBT-IUCAKERBSA-N -1 1 349.441 2.232 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833638041 605699838 /nfs/dbraw/zinc/69/98/38/605699838.db2.gz HLWMEFUJEKPXKI-HDMKZQKVSA-N -1 1 348.443 2.003 20 0 EEADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000823103449 606131987 /nfs/dbraw/zinc/13/19/87/606131987.db2.gz GSFHEZGHAOUYSD-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM Cc1oc(NC(=O)COC(=O)CCC2CCC2)c(-c2nn[n-]n2)c1C ZINC000822548827 606132954 /nfs/dbraw/zinc/13/29/54/606132954.db2.gz ORTIGZYFGJQQQW-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM CC(C)C[C@H]1CCCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820062139 606164909 /nfs/dbraw/zinc/16/49/09/606164909.db2.gz HSMGWZCPTMVVEN-GFCCVEGCSA-N -1 1 346.439 2.423 20 0 EEADMM CC(C)C[C@H]1CCCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820062139 606164911 /nfs/dbraw/zinc/16/49/11/606164911.db2.gz HSMGWZCPTMVVEN-GFCCVEGCSA-N -1 1 346.439 2.423 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cncc2ccccc21 ZINC000823294530 606296931 /nfs/dbraw/zinc/29/69/31/606296931.db2.gz FRZUZXSRMIEOQE-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823350584 606301879 /nfs/dbraw/zinc/30/18/79/606301879.db2.gz SPOABIOGDQSTLX-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM O=C(Nc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823350584 606301881 /nfs/dbraw/zinc/30/18/81/606301881.db2.gz SPOABIOGDQSTLX-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM CC(C)(C)c1nc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n[nH]1 ZINC000819971877 606445959 /nfs/dbraw/zinc/44/59/59/606445959.db2.gz VKKDOPCUFQQIQO-UHFFFAOYSA-N -1 1 336.812 2.482 20 0 EEADMM CC(C)(C)c1nc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n[nH]1 ZINC000819971877 606445962 /nfs/dbraw/zinc/44/59/62/606445962.db2.gz VKKDOPCUFQQIQO-UHFFFAOYSA-N -1 1 336.812 2.482 20 0 EEADMM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823357432 606494672 /nfs/dbraw/zinc/49/46/72/606494672.db2.gz VIANGAMKAPVTCC-UHFFFAOYSA-N -1 1 343.368 2.342 20 0 EEADMM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823357432 606494673 /nfs/dbraw/zinc/49/46/73/606494673.db2.gz VIANGAMKAPVTCC-UHFFFAOYSA-N -1 1 343.368 2.342 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2ccccc2)C1 ZINC000823483730 606524316 /nfs/dbraw/zinc/52/43/16/606524316.db2.gz LFUKBAHMZWACKP-LBPRGKRZSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2ccccc2)C1 ZINC000823483730 606524318 /nfs/dbraw/zinc/52/43/18/606524318.db2.gz LFUKBAHMZWACKP-LBPRGKRZSA-N -1 1 341.396 2.142 20 0 EEADMM COc1c(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821698737 606529595 /nfs/dbraw/zinc/52/95/95/606529595.db2.gz WQOUXHBMTZDMTI-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1c(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821698737 606529596 /nfs/dbraw/zinc/52/95/96/606529596.db2.gz WQOUXHBMTZDMTI-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM CN(CCc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821604982 606532987 /nfs/dbraw/zinc/53/29/87/606532987.db2.gz PPIPBEDEBVGEHT-UHFFFAOYSA-N -1 1 331.376 2.382 20 0 EEADMM CN(CCc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821604982 606532988 /nfs/dbraw/zinc/53/29/88/606532988.db2.gz PPIPBEDEBVGEHT-UHFFFAOYSA-N -1 1 331.376 2.382 20 0 EEADMM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144363 606538518 /nfs/dbraw/zinc/53/85/18/606538518.db2.gz FOVWQTYOOWHOIK-QWRGUYRKSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144363 606538520 /nfs/dbraw/zinc/53/85/20/606538520.db2.gz FOVWQTYOOWHOIK-QWRGUYRKSA-N -1 1 329.360 2.353 20 0 EEADMM COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821790888 606548692 /nfs/dbraw/zinc/54/86/92/606548692.db2.gz VVONUFVGERIEMM-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821790888 606548694 /nfs/dbraw/zinc/54/86/94/606548694.db2.gz VVONUFVGERIEMM-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccccc1CCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821889836 606552695 /nfs/dbraw/zinc/55/26/95/606552695.db2.gz GPZAENRMMURQAV-UHFFFAOYSA-N -1 1 343.412 2.252 20 0 EEADMM COc1ccccc1CCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821889836 606552696 /nfs/dbraw/zinc/55/26/96/606552696.db2.gz GPZAENRMMURQAV-UHFFFAOYSA-N -1 1 343.412 2.252 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccccc1F ZINC000820269117 606575172 /nfs/dbraw/zinc/57/51/72/606575172.db2.gz HOPZIEDAYQICHO-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccccc1F ZINC000820269117 606575174 /nfs/dbraw/zinc/57/51/74/606575174.db2.gz HOPZIEDAYQICHO-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](COCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820286607 606575561 /nfs/dbraw/zinc/57/55/61/606575561.db2.gz CVNWGRLEHWJAJE-LLVKDONJSA-N -1 1 343.412 2.263 20 0 EEADMM C[C@H](COCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820286607 606575563 /nfs/dbraw/zinc/57/55/63/606575563.db2.gz CVNWGRLEHWJAJE-LLVKDONJSA-N -1 1 343.412 2.263 20 0 EEADMM CC(C)CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC000820073339 606657998 /nfs/dbraw/zinc/65/79/98/606657998.db2.gz RZNGZCULYWXKDH-UHFFFAOYSA-N -1 1 346.439 2.423 20 0 EEADMM CC(C)CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCC1 ZINC000820073339 606657999 /nfs/dbraw/zinc/65/79/99/606657999.db2.gz RZNGZCULYWXKDH-UHFFFAOYSA-N -1 1 346.439 2.423 20 0 EEADMM O=S(=O)([N-]c1cc(-c2nn[nH]n2)ccc1Cl)c1cccs1 ZINC000823583694 606713046 /nfs/dbraw/zinc/71/30/46/606713046.db2.gz YKEGHGMKFZEDIK-UHFFFAOYSA-N -1 1 341.805 2.382 20 0 EEADMM CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)nc1 ZINC000821421783 606752381 /nfs/dbraw/zinc/75/23/81/606752381.db2.gz FTVJRUBLIWIGDI-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)nc1 ZINC000821421783 606752383 /nfs/dbraw/zinc/75/23/83/606752383.db2.gz FTVJRUBLIWIGDI-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM O=C(OC[C@@H]1Cc2ccccc2O1)c1sccc1-c1nn[n-]n1 ZINC000823400281 606760478 /nfs/dbraw/zinc/76/04/78/606760478.db2.gz ARKGLMRYRBDSEB-JTQLQIEISA-N -1 1 328.353 2.089 20 0 EEADMM C[C@H](N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(C)(C)C ZINC000820308727 606840465 /nfs/dbraw/zinc/84/04/65/606840465.db2.gz WZSIKQIDXJUHRP-VIFPVBQESA-N -1 1 341.412 2.061 20 0 EEADMM Cc1ccc2cccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2n1 ZINC000822280037 607107111 /nfs/dbraw/zinc/10/71/11/607107111.db2.gz IENQSFWTXLVTSY-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1ccc2cccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2n1 ZINC000822280037 607107113 /nfs/dbraw/zinc/10/71/13/607107113.db2.gz IENQSFWTXLVTSY-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNCc1nnc(-c2ccccc2)s1 ZINC000823766666 607130960 /nfs/dbraw/zinc/13/09/60/607130960.db2.gz HHIUBIZXXGJRHV-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNCc1nnc(-c2ccccc2)s1 ZINC000823766666 607130961 /nfs/dbraw/zinc/13/09/61/607130961.db2.gz HHIUBIZXXGJRHV-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)oc1C ZINC000822183597 607239184 /nfs/dbraw/zinc/23/91/84/607239184.db2.gz IMEXLLSBSFPHRA-UHFFFAOYSA-N -1 1 329.364 2.280 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)oc1C ZINC000822183597 607239185 /nfs/dbraw/zinc/23/91/85/607239185.db2.gz IMEXLLSBSFPHRA-UHFFFAOYSA-N -1 1 329.364 2.280 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccco3)no2)c1-c1nnn[n-]1 ZINC000826377694 607863982 /nfs/dbraw/zinc/86/39/82/607863982.db2.gz BNVRMGWHSAYRAI-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccco3)no2)c1-c1nn[n-]n1 ZINC000826377694 607863983 /nfs/dbraw/zinc/86/39/83/607863983.db2.gz BNVRMGWHSAYRAI-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc([S@@](C)=O)cc1 ZINC000824662787 607903133 /nfs/dbraw/zinc/90/31/33/607903133.db2.gz RSFDWYKGLGCUSW-SDWAUSNYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc([S@@](C)=O)cc1 ZINC000824662787 607903134 /nfs/dbraw/zinc/90/31/34/607903134.db2.gz RSFDWYKGLGCUSW-SDWAUSNYSA-N -1 1 328.401 2.172 20 0 EEADMM CCCn1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000825362877 607998115 /nfs/dbraw/zinc/99/81/15/607998115.db2.gz SFHCYXHFVBKWES-UHFFFAOYSA-N -1 1 341.375 2.048 20 0 EEADMM Fc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(C(F)(F)F)c1 ZINC000826375089 608398474 /nfs/dbraw/zinc/39/84/74/608398474.db2.gz ZBVBPPSWJDATQU-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(C(F)(F)F)c1 ZINC000826375089 608398476 /nfs/dbraw/zinc/39/84/76/608398476.db2.gz ZBVBPPSWJDATQU-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM COc1ccccc1C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000826219734 608428164 /nfs/dbraw/zinc/42/81/64/608428164.db2.gz ONAMXSKPIFXYEM-CQSZACIVSA-N -1 1 339.403 2.345 20 0 EEADMM COc1ccccc1C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000826219734 608428166 /nfs/dbraw/zinc/42/81/66/608428166.db2.gz ONAMXSKPIFXYEM-CQSZACIVSA-N -1 1 339.403 2.345 20 0 EEADMM CSc1cccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000826230851 608494088 /nfs/dbraw/zinc/49/40/88/608494088.db2.gz MARPMIPWSMKVJQ-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM CSc1cccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000826230851 608494090 /nfs/dbraw/zinc/49/40/90/608494090.db2.gz MARPMIPWSMKVJQ-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCCC2=O)cc1 ZINC000826280646 608542998 /nfs/dbraw/zinc/54/29/98/608542998.db2.gz KFAJCRHJORHSLZ-UHFFFAOYSA-N -1 1 349.398 2.309 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000826145043 608587949 /nfs/dbraw/zinc/58/79/49/608587949.db2.gz XYFKMDAXBCPZHT-MHSYXAOVSA-N -1 1 328.829 2.448 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000826145043 608587950 /nfs/dbraw/zinc/58/79/50/608587950.db2.gz XYFKMDAXBCPZHT-MHSYXAOVSA-N -1 1 328.829 2.448 20 0 EEADMM Fc1ccc(F)c(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826374635 608702115 /nfs/dbraw/zinc/70/21/15/608702115.db2.gz GVOJRITWBOURIR-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM Fc1ccc(F)c(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826374635 608702117 /nfs/dbraw/zinc/70/21/17/608702117.db2.gz GVOJRITWBOURIR-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(O)c1C ZINC000826282370 608820724 /nfs/dbraw/zinc/82/07/24/608820724.db2.gz LGUACNWMBXPQFZ-UHFFFAOYSA-N -1 1 325.328 2.147 20 0 EEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908581 609135652 /nfs/dbraw/zinc/13/56/52/609135652.db2.gz PYGWMCJDWDJEKG-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908581 609135653 /nfs/dbraw/zinc/13/56/53/609135653.db2.gz PYGWMCJDWDJEKG-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM FC(F)O[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826369730 609316832 /nfs/dbraw/zinc/31/68/32/609316832.db2.gz ONQIHTODUXWOCC-YFKPBYRVSA-N -1 1 336.755 2.185 20 0 EEADMM FC(F)O[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826369730 609316834 /nfs/dbraw/zinc/31/68/34/609316834.db2.gz ONQIHTODUXWOCC-YFKPBYRVSA-N -1 1 336.755 2.185 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826522416 609321820 /nfs/dbraw/zinc/32/18/20/609321820.db2.gz YMACPYJSEVELAC-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM c1ccc(N2CCCCC2)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826522416 609321822 /nfs/dbraw/zinc/32/18/22/609321822.db2.gz YMACPYJSEVELAC-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM 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C[C@H](Cc1cccc(F)c1)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609116088 1351849975 /nfs/dbraw/zinc/84/99/75/1351849975.db2.gz XUHKJSJFNVNCOX-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324503923 1333697035 /nfs/dbraw/zinc/69/70/35/1333697035.db2.gz ZLPGHBUEORBSSY-UHFFFAOYSA-N -1 1 349.243 2.331 20 0 EEADMM CC1=CCCN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001609151803 1351864115 /nfs/dbraw/zinc/86/41/15/1351864115.db2.gz RHPXFZCQLJGYIW-UHFFFAOYSA-N -1 1 338.293 2.073 20 0 EEADMM O=S(=O)([N-]CCCOC(F)F)c1cnc(Cl)cc1Cl ZINC001325217708 1333849029 /nfs/dbraw/zinc/84/90/29/1333849029.db2.gz QIXOFMXRUSCHGV-UHFFFAOYSA-N -1 1 335.159 2.296 20 0 EEADMM CCC(C)(C)OCC[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001325297194 1333860131 /nfs/dbraw/zinc/86/01/31/1333860131.db2.gz FXWOXMRAEVUXMZ-UHFFFAOYSA-N -1 1 337.388 2.457 20 0 EEADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc2ccccc2n1 ZINC001609262822 1351914480 /nfs/dbraw/zinc/91/44/80/1351914480.db2.gz WJFHVRUNLGKKLV-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc2ccccc2n1 ZINC001609262822 1351914481 /nfs/dbraw/zinc/91/44/81/1351914481.db2.gz WJFHVRUNLGKKLV-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609281984 1351920996 /nfs/dbraw/zinc/92/09/96/1351920996.db2.gz WIGNJOPLZGKLSB-UHFFFAOYSA-N -1 1 340.368 2.342 20 0 EEADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609281984 1351920997 /nfs/dbraw/zinc/92/09/97/1351920997.db2.gz WIGNJOPLZGKLSB-UHFFFAOYSA-N -1 1 340.368 2.342 20 0 EEADMM O=C([N-]NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1F ZINC000007137090 1351921886 /nfs/dbraw/zinc/92/18/86/1351921886.db2.gz BLXLYDZLEFDBTR-UHFFFAOYSA-N -1 1 342.305 2.225 20 0 EEADMM CCC[C@H](NC(=O)c1ncc(Cc2ccccc2)o1)c1nn[n-]n1 ZINC001328543855 1334477294 /nfs/dbraw/zinc/47/72/94/1334477294.db2.gz RSCQCFJEQWCWNC-ZDUSSCGKSA-N -1 1 326.360 2.050 20 0 EEADMM COC(=O)c1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609305395 1351925766 /nfs/dbraw/zinc/92/57/66/1351925766.db2.gz HRYLZFLGOJCSQR-UHFFFAOYSA-N -1 1 344.352 2.072 20 0 EEADMM COC(=O)c1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609305395 1351925769 /nfs/dbraw/zinc/92/57/69/1351925769.db2.gz HRYLZFLGOJCSQR-UHFFFAOYSA-N -1 1 344.352 2.072 20 0 EEADMM Cc1cc(N(C)Cc2ccn(-c3ccccc3)n2)cc(-c2nnn[n-]2)n1 ZINC001609404094 1351962845 /nfs/dbraw/zinc/96/28/45/1351962845.db2.gz BQJUYASPVQCKLZ-UHFFFAOYSA-N -1 1 346.398 2.392 20 0 EEADMM Cc1cc(N(C)Cc2ccn(-c3ccccc3)n2)cc(-c2nn[n-]n2)n1 ZINC001609404094 1351962846 /nfs/dbraw/zinc/96/28/46/1351962846.db2.gz BQJUYASPVQCKLZ-UHFFFAOYSA-N -1 1 346.398 2.392 20 0 EEADMM Cc1ccc(-c2nc(COc3cnc(-c4nn[n-]n4)nc3)co2)cc1 ZINC001609414133 1351966399 /nfs/dbraw/zinc/96/63/99/1351966399.db2.gz QVGBTHFGBPBPBO-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609430829 1351974377 /nfs/dbraw/zinc/97/43/77/1351974377.db2.gz VWYIUENFGVDJLM-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609430829 1351974380 /nfs/dbraw/zinc/97/43/80/1351974380.db2.gz VWYIUENFGVDJLM-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001609454814 1351983904 /nfs/dbraw/zinc/98/39/04/1351983904.db2.gz BOKGCWLSAFNWOB-UHFFFAOYSA-N -1 1 334.387 2.422 20 0 EEADMM Cc1nc2ccccc2n1CCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001609454814 1351983905 /nfs/dbraw/zinc/98/39/05/1351983905.db2.gz BOKGCWLSAFNWOB-UHFFFAOYSA-N -1 1 334.387 2.422 20 0 EEADMM Cc1nsc(N(C)C[C@@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001609463738 1351987111 /nfs/dbraw/zinc/98/71/11/1351987111.db2.gz FRZLBAONTLGNPL-MRVPVSSYSA-N -1 1 338.437 2.046 20 0 EEADMM COc1cc(F)cc(OC)c1CNCCSC[C@@H](C)C(=O)[O-] ZINC001331912949 1335672364 /nfs/dbraw/zinc/67/23/64/1335672364.db2.gz OFUVAXMTRHZMGT-SNVBAGLBSA-N -1 1 331.409 2.386 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001609550899 1352013425 /nfs/dbraw/zinc/01/34/25/1352013425.db2.gz UCJSHZAVWOOGDS-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001609550899 1352013431 /nfs/dbraw/zinc/01/34/31/1352013431.db2.gz UCJSHZAVWOOGDS-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1ccccc1Cl)CCC2 ZINC001609604431 1352032549 /nfs/dbraw/zinc/03/25/49/1352032549.db2.gz PMXGUHCRVBRTNN-UHFFFAOYSA-N -1 1 341.802 2.413 20 0 EEADMM O[C@H]1C[C@H](c2ccccc2)N(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001609607572 1352035019 /nfs/dbraw/zinc/03/50/19/1352035019.db2.gz HENOYANZISDUNA-VHSXEESVSA-N -1 1 348.819 2.289 20 0 EEADMM O[C@H]1C[C@H](c2ccccc2)N(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001609607572 1352035023 /nfs/dbraw/zinc/03/50/23/1352035023.db2.gz HENOYANZISDUNA-VHSXEESVSA-N -1 1 348.819 2.289 20 0 EEADMM c1cn(Cc2ccccc2)c(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609617530 1352040844 /nfs/dbraw/zinc/04/08/44/1352040844.db2.gz ZUSWDEVLSRXYMK-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2ccccc2)c(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609617530 1352040842 /nfs/dbraw/zinc/04/08/42/1352040842.db2.gz ZUSWDEVLSRXYMK-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCCCCC(C)=O ZINC001335549272 1336393465 /nfs/dbraw/zinc/39/34/65/1336393465.db2.gz ZCPTXTQHNISWOQ-UHFFFAOYSA-N -1 1 335.372 2.401 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN[C@H](c2cnn(C)c2)c2ccccc2)O1 ZINC001609829493 1352096068 /nfs/dbraw/zinc/09/60/68/1352096068.db2.gz LFJYYZVYQANLBT-WBVHZDCISA-N -1 1 327.384 2.247 20 0 EEADMM C[C@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCN1C ZINC001609839704 1352098397 /nfs/dbraw/zinc/09/83/97/1352098397.db2.gz WDJDSQILEFYPDE-IUCAKERBSA-N -1 1 327.331 2.219 20 0 EEADMM CCOC(=O)C1(N(C)C[C@H]2CC(C(=O)[O-])=C(C)O2)CCCCC1 ZINC001610013218 1352140861 /nfs/dbraw/zinc/14/08/61/1352140861.db2.gz UDMFOJZCLFPAAX-CYBMUJFWSA-N -1 1 325.405 2.332 20 0 EEADMM O=C(c1cc(Cl)cc2cccnc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352595849 1337992971 /nfs/dbraw/zinc/99/29/71/1337992971.db2.gz GOVHUVZAGCAEQD-SNVBAGLBSA-N -1 1 328.763 2.031 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3=O)ccc1F ZINC001200492329 1338366862 /nfs/dbraw/zinc/36/68/62/1338366862.db2.gz ZYXRVCLQQGEBBC-UHFFFAOYSA-N -1 1 337.328 2.306 20 0 EEADMM COc1cc(C)cnc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610291435 1352200781 /nfs/dbraw/zinc/20/07/81/1352200781.db2.gz NKYNWDVAPFLJAW-UHFFFAOYSA-N -1 1 326.312 2.225 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc2occc2[nH]1 ZINC000848341205 1338682124 /nfs/dbraw/zinc/68/21/24/1338682124.db2.gz RAYSCFLQLGTGRR-RKDXNWHRSA-N -1 1 343.305 2.433 20 0 EEADMM COC(=O)c1c[n-]c(SC[C@@H](O)c2cc(OC)ccc2OC)n1 ZINC000848434854 1338701110 /nfs/dbraw/zinc/70/11/10/1338701110.db2.gz MMPYBPSAWLRWOP-GFCCVEGCSA-N -1 1 338.385 2.039 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCC[C@H]1O ZINC001610487507 1352231028 /nfs/dbraw/zinc/23/10/28/1352231028.db2.gz VFCZHVXNSORLLQ-JGGQBBKZSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc3ncsc3c2)c(C(=O)[O-])[nH]1 ZINC001610474464 1352228525 /nfs/dbraw/zinc/22/85/25/1352228525.db2.gz IONRUFWNFPNQON-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM Cc1cc(NC(=O)c2c[nH]c(C(=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001610473747 1352228836 /nfs/dbraw/zinc/22/88/36/1352228836.db2.gz QEJUXWHSTKOXBQ-UHFFFAOYSA-N -1 1 342.399 2.025 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cn1 ZINC001610500606 1352233789 /nfs/dbraw/zinc/23/37/89/1352233789.db2.gz JPILBSBTCLNCOH-HNNXBMFYSA-N -1 1 349.431 2.286 20 0 EEADMM Cc1nc(N(C)C)sc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610556752 1352244117 /nfs/dbraw/zinc/24/41/17/1352244117.db2.gz DVGRCFBIUKFNPS-UHFFFAOYSA-N -1 1 345.384 2.344 20 0 EEADMM Cc1sc(NC(=O)CN(C)C[C@H]2CCC[C@@H]2O)c(C(=O)[O-])c1C ZINC001610590399 1352250137 /nfs/dbraw/zinc/25/01/37/1352250137.db2.gz BRLMPUYHXCTUQT-NEPJUHHUSA-N -1 1 340.445 2.094 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)C[C@@H]21 ZINC001610803636 1352277454 /nfs/dbraw/zinc/27/74/54/1352277454.db2.gz TZQSMCCXNBZKNC-VROVMSAKSA-N -1 1 336.298 2.295 20 0 EEADMM O=C([O-])c1ccc(CS(=O)(=O)Nc2n[nH]c3ccccc32)cc1 ZINC001610829609 1352281980 /nfs/dbraw/zinc/28/19/80/1352281980.db2.gz ICEKGQDMUCTKQU-UHFFFAOYSA-N -1 1 331.353 2.203 20 0 EEADMM O=C([O-])c1ccoc1CN[C@H](CN1CCOCC1)c1ccccc1 ZINC001610855262 1352286284 /nfs/dbraw/zinc/28/62/84/1352286284.db2.gz PJWJVOGIPWQUKR-MRXNPFEDSA-N -1 1 330.384 2.141 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ncc(Cl)s1 ZINC001617744321 1352344242 /nfs/dbraw/zinc/34/42/42/1352344242.db2.gz ZFGLQGKZGJCTAH-UHFFFAOYSA-N -1 1 336.764 2.141 20 0 EEADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1N1CCOCC1=O ZINC001434399254 1341837641 /nfs/dbraw/zinc/83/76/41/1341837641.db2.gz MHYGYHXYEKKCGY-UHFFFAOYSA-N -1 1 344.342 2.455 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccnc(-c3ccccc3)n2)n1 ZINC001436225780 1342015347 /nfs/dbraw/zinc/01/53/47/1342015347.db2.gz FCSXGTCYZYKHBB-UHFFFAOYSA-N -1 1 337.339 2.296 20 0 EEADMM CCOc1ccccc1-c1cc(C(=O)Nc2c(C)[n-][nH]c2=O)[nH]n1 ZINC001556827722 1342434998 /nfs/dbraw/zinc/43/49/98/1342434998.db2.gz UIXLYSHYJIMJLA-UHFFFAOYSA-N -1 1 327.344 2.465 20 0 EEADMM CC(C)COC1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001574228286 1343670539 /nfs/dbraw/zinc/67/05/39/1343670539.db2.gz HUZJVIGKGNTAHV-UHFFFAOYSA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)COC1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001574228286 1343670541 /nfs/dbraw/zinc/67/05/41/1343670541.db2.gz HUZJVIGKGNTAHV-UHFFFAOYSA-N -1 1 342.325 2.142 20 0 EEADMM CC[C@H](C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001576652040 1344045210 /nfs/dbraw/zinc/04/52/10/1344045210.db2.gz PDHPCHUMPMBDHM-VIFPVBQESA-N -1 1 343.840 2.235 20 0 EEADMM CC[C@H](C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001576652040 1344045214 /nfs/dbraw/zinc/04/52/14/1344045214.db2.gz PDHPCHUMPMBDHM-VIFPVBQESA-N -1 1 343.840 2.235 20 0 EEADMM CC[C@@H](CNC(=O)CCC1CC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576804231 1344062425 /nfs/dbraw/zinc/06/24/25/1344062425.db2.gz BDKHZYLNBSSZRS-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CCC1(C(=O)N(C)C[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577061915 1344085431 /nfs/dbraw/zinc/08/54/31/1344085431.db2.gz QAXXDXVUMOZNQL-VIFPVBQESA-N -1 1 349.464 2.081 20 0 EEADMM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155836 1344096024 /nfs/dbraw/zinc/09/60/24/1344096024.db2.gz GRWQPWPJMKCZAT-GHMZBOCLSA-N -1 1 345.407 2.218 20 0 EEADMM CC/C=C(/F)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001577181185 1344099459 /nfs/dbraw/zinc/09/94/59/1344099459.db2.gz CVSUADQNFUZEPT-ONNFQVAWSA-N -1 1 345.313 2.393 20 0 EEADMM CCN(CCNc1snc(C)c1-c1nn[n-]n1)C(=O)C1(CC)CC1 ZINC001578167297 1344244005 /nfs/dbraw/zinc/24/40/05/1344244005.db2.gz CZXDIHKBUORJDV-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578873342 1344311993 /nfs/dbraw/zinc/31/19/93/1344311993.db2.gz HXAJXOYWXAPMFC-UHFFFAOYSA-N -1 1 347.382 2.339 20 0 EEADMM CN(C(=O)CCc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578873342 1344311995 /nfs/dbraw/zinc/31/19/95/1344311995.db2.gz HXAJXOYWXAPMFC-UHFFFAOYSA-N -1 1 347.382 2.339 20 0 EEADMM COC(=O)c1cc(CSc2cccc(F)c2-c2nn[n-]n2)on1 ZINC001579478807 1344386495 /nfs/dbraw/zinc/38/64/95/1344386495.db2.gz VSDFMGDVDYCSBC-UHFFFAOYSA-N -1 1 335.320 2.073 20 0 EEADMM COCCN(C(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001579791508 1344415205 /nfs/dbraw/zinc/41/52/05/1344415205.db2.gz UHUYTZVYYYAZCM-UHFFFAOYSA-N -1 1 329.385 2.221 20 0 EEADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c(C)c1 ZINC001579988271 1344443759 /nfs/dbraw/zinc/44/37/59/1344443759.db2.gz DSODKUMIVBHXSF-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM COc1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c(C)c1 ZINC001579988271 1344443764 /nfs/dbraw/zinc/44/37/64/1344443764.db2.gz DSODKUMIVBHXSF-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM COc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1F ZINC001580059199 1344461386 /nfs/dbraw/zinc/46/13/86/1344461386.db2.gz UESCQEIBWGCUGW-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cccc(F)c1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001580069216 1344463070 /nfs/dbraw/zinc/46/30/70/1344463070.db2.gz GHDNPIQBRZOVBY-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cccc(F)c1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001580069216 1344463071 /nfs/dbraw/zinc/46/30/71/1344463071.db2.gz GHDNPIQBRZOVBY-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2Cc3ccc(F)cc32)c1-c1nnn[n-]1 ZINC001581683585 1344653317 /nfs/dbraw/zinc/65/33/17/1344653317.db2.gz DWBZAJFRKPPMQJ-JTQLQIEISA-N -1 1 330.348 2.049 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2Cc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC001581683585 1344653320 /nfs/dbraw/zinc/65/33/20/1344653320.db2.gz DWBZAJFRKPPMQJ-JTQLQIEISA-N -1 1 330.348 2.049 20 0 EEADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)C(C)C)c1-c1nn[n-]n1 ZINC001581713297 1344657018 /nfs/dbraw/zinc/65/70/18/1344657018.db2.gz ZKZIGUSNANYDCA-LLVKDONJSA-N -1 1 349.464 2.081 20 0 EEADMM O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001582633438 1344771918 /nfs/dbraw/zinc/77/19/18/1344771918.db2.gz BTGBNBCIODGSJT-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 ZINC001582642156 1344775902 /nfs/dbraw/zinc/77/59/02/1344775902.db2.gz WJSVALNUQJJBSM-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC(Cc2ccco2)C1 ZINC001582664865 1344780724 /nfs/dbraw/zinc/78/07/24/1344780724.db2.gz DHIYIGGIHZSZFY-UHFFFAOYSA-N -1 1 348.366 2.256 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccccc1Oc1ccccc1 ZINC001582806982 1344794228 /nfs/dbraw/zinc/79/42/28/1344794228.db2.gz KWENIQCRWPEBRL-UHFFFAOYSA-N -1 1 346.350 2.264 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1)[C@H]1C[C@@H]1C ZINC001588802202 1348938288 /nfs/dbraw/zinc/93/82/88/1348938288.db2.gz NQYZRUYCGUVMRA-GTNSWQLSSA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1)[C@H]1C[C@@H]1C ZINC001588802202 1348938291 /nfs/dbraw/zinc/93/82/91/1348938291.db2.gz NQYZRUYCGUVMRA-GTNSWQLSSA-N -1 1 349.398 2.189 20 0 EEADMM CC(C)(NS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001589324595 1348983641 /nfs/dbraw/zinc/98/36/41/1348983641.db2.gz JNNKSCATNTVVJB-UHFFFAOYSA-N -1 1 349.441 2.142 20 0 EEADMM CC(C)C(=O)Nc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001589412807 1348989015 /nfs/dbraw/zinc/98/90/15/1348989015.db2.gz SRAXIUOHKBWSAP-UHFFFAOYSA-N -1 1 325.332 2.044 20 0 EEADMM CC(C)C(=O)Nc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001589412807 1348989019 /nfs/dbraw/zinc/98/90/19/1348989019.db2.gz SRAXIUOHKBWSAP-UHFFFAOYSA-N -1 1 325.332 2.044 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589490299 1348995571 /nfs/dbraw/zinc/99/55/71/1348995571.db2.gz JWVJQTKPPCYRSH-BDJLRTHQSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589490299 1348995574 /nfs/dbraw/zinc/99/55/74/1348995574.db2.gz JWVJQTKPPCYRSH-BDJLRTHQSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589500969 1348997647 /nfs/dbraw/zinc/99/76/47/1348997647.db2.gz WHLZVZMEJBHTMS-AAEUAGOBSA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589500969 1348997649 /nfs/dbraw/zinc/99/76/49/1348997649.db2.gz WHLZVZMEJBHTMS-AAEUAGOBSA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)C[C@H](C)CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001589549891 1349002144 /nfs/dbraw/zinc/00/21/44/1349002144.db2.gz KRXCMPLOWJMVEV-NSHDSACASA-N -1 1 344.419 2.345 20 0 EEADMM CC(C)NC(=O)c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001589725359 1349024865 /nfs/dbraw/zinc/02/48/65/1349024865.db2.gz PZKJOLBCPOOIRK-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM CC(C)NC(=O)c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001589725359 1349024871 /nfs/dbraw/zinc/02/48/71/1349024871.db2.gz PZKJOLBCPOOIRK-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM CC(C)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c(=O)[nH]1 ZINC001589768111 1349034049 /nfs/dbraw/zinc/03/40/49/1349034049.db2.gz KWGDCUNEGPYYRL-UHFFFAOYSA-N -1 1 329.316 2.041 20 0 EEADMM CC(C)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c(=O)[nH]1 ZINC001589768111 1349034051 /nfs/dbraw/zinc/03/40/51/1349034051.db2.gz KWGDCUNEGPYYRL-UHFFFAOYSA-N -1 1 329.316 2.041 20 0 EEADMM CC(C)c1ncc(CN(C)C(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001589776963 1349037431 /nfs/dbraw/zinc/03/74/31/1349037431.db2.gz GLIQDALLPUAITC-UHFFFAOYSA-N -1 1 343.416 2.114 20 0 EEADMM CC(C)c1ncc(CN(C)C(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001589776963 1349037436 /nfs/dbraw/zinc/03/74/36/1349037436.db2.gz GLIQDALLPUAITC-UHFFFAOYSA-N -1 1 343.416 2.114 20 0 EEADMM CC(C)c1nsc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001589779948 1349039281 /nfs/dbraw/zinc/03/92/81/1349039281.db2.gz XJFAQXRQFCMLDC-UHFFFAOYSA-N -1 1 333.352 2.233 20 0 EEADMM CC(C)c1nsc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589779948 1349039287 /nfs/dbraw/zinc/03/92/87/1349039287.db2.gz XJFAQXRQFCMLDC-UHFFFAOYSA-N -1 1 333.352 2.233 20 0 EEADMM C[C@H](CC(C)(C)O)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001589796454 1349045483 /nfs/dbraw/zinc/04/54/83/1349045483.db2.gz MLGHTHSVVOOGOH-SSDOTTSWSA-N -1 1 330.314 2.242 20 0 EEADMM C[C@H](CC(C)(C)O)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001589796454 1349045488 /nfs/dbraw/zinc/04/54/88/1349045488.db2.gz MLGHTHSVVOOGOH-SSDOTTSWSA-N -1 1 330.314 2.242 20 0 EEADMM CC(C)n1cc([C@@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001589950419 1349074932 /nfs/dbraw/zinc/07/49/32/1349074932.db2.gz VNMPYMPDVPTAJZ-SECBINFHSA-N -1 1 331.405 2.197 20 0 EEADMM CC(C)n1cc([C@@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001589950419 1349074939 /nfs/dbraw/zinc/07/49/39/1349074939.db2.gz VNMPYMPDVPTAJZ-SECBINFHSA-N -1 1 331.405 2.197 20 0 EEADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1N(C)C ZINC001589972799 1349087544 /nfs/dbraw/zinc/08/75/44/1349087544.db2.gz RWHXZRXJAPZWSP-SECBINFHSA-N -1 1 347.423 2.379 20 0 EEADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1N(C)C ZINC001589972799 1349087549 /nfs/dbraw/zinc/08/75/49/1349087549.db2.gz RWHXZRXJAPZWSP-SECBINFHSA-N -1 1 347.423 2.379 20 0 EEADMM CC1(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)CCC1 ZINC001590071339 1349137022 /nfs/dbraw/zinc/13/70/22/1349137022.db2.gz YGTUHFVBEPNTFT-UHFFFAOYSA-N -1 1 337.181 2.153 20 0 EEADMM CC1(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)CCC1 ZINC001590071339 1349137027 /nfs/dbraw/zinc/13/70/27/1349137027.db2.gz YGTUHFVBEPNTFT-UHFFFAOYSA-N -1 1 337.181 2.153 20 0 EEADMM CC1(C)C[C@@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590078641 1349141323 /nfs/dbraw/zinc/14/13/23/1349141323.db2.gz RMALURHPITYUKT-LURJTMIESA-N -1 1 342.812 2.120 20 0 EEADMM CC1(C)C[C@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC001590082053 1349142927 /nfs/dbraw/zinc/14/29/27/1349142927.db2.gz UFLXVRNNEDQHBN-SNVBAGLBSA-N -1 1 347.394 2.329 20 0 EEADMM CC1(C)C[C@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC001590082053 1349142930 /nfs/dbraw/zinc/14/29/30/1349142930.db2.gz UFLXVRNNEDQHBN-SNVBAGLBSA-N -1 1 347.394 2.329 20 0 EEADMM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[NH2+]Cc1csc(-c2nnn[n-]2)c1 ZINC001590121342 1349162885 /nfs/dbraw/zinc/16/28/85/1349162885.db2.gz NHMDGEXZNBNRIN-PWSUYJOCSA-N -1 1 335.433 2.297 20 0 EEADMM CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001590121342 1349162890 /nfs/dbraw/zinc/16/28/90/1349162890.db2.gz NHMDGEXZNBNRIN-PWSUYJOCSA-N -1 1 335.433 2.297 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590152849 1349175252 /nfs/dbraw/zinc/17/52/52/1349175252.db2.gz FCTLVLUQCWDGJJ-GOSISDBHSA-N -1 1 349.398 2.457 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590152849 1349175264 /nfs/dbraw/zinc/17/52/64/1349175264.db2.gz FCTLVLUQCWDGJJ-GOSISDBHSA-N -1 1 349.398 2.457 20 0 EEADMM C[C@@H]1C(=O)CC[C@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001590163243 1349181201 /nfs/dbraw/zinc/18/12/01/1349181201.db2.gz HNDGVYIKCODXTC-RKDXNWHRSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@@H]1C(=O)CC[C@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001590163243 1349181206 /nfs/dbraw/zinc/18/12/06/1349181206.db2.gz HNDGVYIKCODXTC-RKDXNWHRSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216943 1349204731 /nfs/dbraw/zinc/20/47/31/1349204731.db2.gz BQQFBIKFBNHZCE-APHKKCJPSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216943 1349204737 /nfs/dbraw/zinc/20/47/37/1349204737.db2.gz BQQFBIKFBNHZCE-APHKKCJPSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590229689 1349213798 /nfs/dbraw/zinc/21/37/98/1349213798.db2.gz JOVLRSRVGOCACH-MRVPVSSYSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590229689 1349213804 /nfs/dbraw/zinc/21/38/04/1349213804.db2.gz JOVLRSRVGOCACH-MRVPVSSYSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590252250 1349226409 /nfs/dbraw/zinc/22/64/09/1349226409.db2.gz XVAWXTYOZSZNTQ-ZANVPECISA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)c2c(O)cccc21 ZINC001590270065 1349241977 /nfs/dbraw/zinc/24/19/77/1349241977.db2.gz LSBXVEOLSOGANC-VIFPVBQESA-N -1 1 325.328 2.319 20 0 EEADMM C[C@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)c2c(O)cccc21 ZINC001590270065 1349241981 /nfs/dbraw/zinc/24/19/81/1349241981.db2.gz LSBXVEOLSOGANC-VIFPVBQESA-N -1 1 325.328 2.319 20 0 EEADMM C[C@H]1COc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590329814 1349268380 /nfs/dbraw/zinc/26/83/80/1349268380.db2.gz RYRAMVULVIUYKO-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM C[C@H]1COc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590329814 1349268384 /nfs/dbraw/zinc/26/83/84/1349268384.db2.gz RYRAMVULVIUYKO-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM CC/C(C)=C\C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590386578 1349297647 /nfs/dbraw/zinc/29/76/47/1349297647.db2.gz VSBLJZRJHPDFSI-GXMKHXEJSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@H](CC(F)F)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590425205 1349319403 /nfs/dbraw/zinc/31/94/03/1349319403.db2.gz HFBUEFCNKMWUCH-MRVPVSSYSA-N -1 1 345.300 2.443 20 0 EEADMM CC[C@H](CC(F)F)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590425205 1349319413 /nfs/dbraw/zinc/31/94/13/1349319413.db2.gz HFBUEFCNKMWUCH-MRVPVSSYSA-N -1 1 345.300 2.443 20 0 EEADMM CCC(CC)[C@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590431691 1349321938 /nfs/dbraw/zinc/32/19/38/1349321938.db2.gz OMERNHUMZRHKDQ-TZMCWYRMSA-N -1 1 331.424 2.361 20 0 EEADMM CCC(CC)[C@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590431691 1349321945 /nfs/dbraw/zinc/32/19/45/1349321945.db2.gz OMERNHUMZRHKDQ-TZMCWYRMSA-N -1 1 331.424 2.361 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1ccccc1F ZINC001590445446 1349327438 /nfs/dbraw/zinc/32/74/38/1349327438.db2.gz YOLTUNUMVJHBJU-NSHDSACASA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1ccccc1F ZINC001590445446 1349327443 /nfs/dbraw/zinc/32/74/43/1349327443.db2.gz YOLTUNUMVJHBJU-NSHDSACASA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590483859 1349351521 /nfs/dbraw/zinc/35/15/21/1349351521.db2.gz SMAKJOSRSGBJKG-GFCCVEGCSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H]1C[C@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590502695 1349357306 /nfs/dbraw/zinc/35/73/06/1349357306.db2.gz CUVPYCVKGSMQDF-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590505794 1349359466 /nfs/dbraw/zinc/35/94/66/1349359466.db2.gz CGQUMVZHBWROBM-NXEZZACHSA-N -1 1 334.811 2.471 20 0 EEADMM CCc1nc(NCCc2ccc(C)c(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590922113 1349412452 /nfs/dbraw/zinc/41/24/52/1349412452.db2.gz BVLRBIIXRNJDMW-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM CCc1nc(NCCc2ccc(C)c(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590922113 1349412459 /nfs/dbraw/zinc/41/24/59/1349412459.db2.gz BVLRBIIXRNJDMW-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM CCc1nc(Nc2cnn([C@@H](C)C3CC3)c2)cc(-c2nnn[n-]2)n1 ZINC001590924982 1349414710 /nfs/dbraw/zinc/41/47/10/1349414710.db2.gz HVVBLZDQWZJISL-VIFPVBQESA-N -1 1 325.380 2.130 20 0 EEADMM CCc1nc(Nc2cnn([C@@H](C)C3CC3)c2)cc(-c2nn[n-]n2)n1 ZINC001590924982 1349414715 /nfs/dbraw/zinc/41/47/15/1349414715.db2.gz HVVBLZDQWZJISL-VIFPVBQESA-N -1 1 325.380 2.130 20 0 EEADMM CCc1nc(NCc2cc(C)nc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001590923095 1349414860 /nfs/dbraw/zinc/41/48/60/1349414860.db2.gz PQHXCNRAADNUEX-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM CCc1nc(NCc2cc(C)nc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001590923095 1349414868 /nfs/dbraw/zinc/41/48/68/1349414868.db2.gz PQHXCNRAADNUEX-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM CN(C)c1ncc(COc2cccnc2-c2nnn[n-]2)c2ccccc21 ZINC001591035544 1349433310 /nfs/dbraw/zinc/43/33/10/1349433310.db2.gz YYOHJXGTZDKXTK-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM CN(C)c1ncc(COc2cccnc2-c2nn[n-]n2)c2ccccc21 ZINC001591035544 1349433317 /nfs/dbraw/zinc/43/33/17/1349433317.db2.gz YYOHJXGTZDKXTK-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM CO[C@@H]1[C@H]2C[C@H]3CN(c4cc(-c5nnn[n-]5)nc5ccccc54)[C@H]1[C@H]3C2 ZINC001591346165 1349465718 /nfs/dbraw/zinc/46/57/18/1349465718.db2.gz RSSGJMJIDJDMSX-RRGUEFANSA-N -1 1 348.410 2.275 20 0 EEADMM CO[C@@H]1[C@H]2C[C@H]3CN(c4cc(-c5nn[n-]n5)nc5ccccc54)[C@H]1[C@H]3C2 ZINC001591346165 1349465727 /nfs/dbraw/zinc/46/57/27/1349465727.db2.gz RSSGJMJIDJDMSX-RRGUEFANSA-N -1 1 348.410 2.275 20 0 EEADMM COc1ccc(OCCCOc2ccc(F)nc2-c2nnn[n-]2)cc1 ZINC001591620555 1349516184 /nfs/dbraw/zinc/51/61/84/1349516184.db2.gz CKYVVYOVLDLXFT-UHFFFAOYSA-N -1 1 345.334 2.257 20 0 EEADMM COc1ccc(OCCCOc2ccc(F)nc2-c2nn[n-]n2)cc1 ZINC001591620555 1349516189 /nfs/dbraw/zinc/51/61/89/1349516189.db2.gz CKYVVYOVLDLXFT-UHFFFAOYSA-N -1 1 345.334 2.257 20 0 EEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 ZINC001592173610 1349601062 /nfs/dbraw/zinc/60/10/62/1349601062.db2.gz WFKNJEGZDTTWHN-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(SCCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1C ZINC001592197544 1349604759 /nfs/dbraw/zinc/60/47/59/1349604759.db2.gz CWYUWERNPXCVMG-UHFFFAOYSA-N -1 1 343.416 2.328 20 0 EEADMM Cc1ccc(SCCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1C ZINC001592197544 1349604763 /nfs/dbraw/zinc/60/47/63/1349604763.db2.gz CWYUWERNPXCVMG-UHFFFAOYSA-N -1 1 343.416 2.328 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC1CC2(CCC2)C1 ZINC001592202952 1349606648 /nfs/dbraw/zinc/60/66/48/1349606648.db2.gz OOCVTQIJQKMVTK-UHFFFAOYSA-N -1 1 336.399 2.465 20 0 EEADMM Cc1csc([C@H]2CCN(C(=O)c3csc(-c4nn[n-]n4)c3)C2)n1 ZINC001592314090 1349619868 /nfs/dbraw/zinc/61/98/68/1349619868.db2.gz YVVADBMVSFDOIH-VIFPVBQESA-N -1 1 346.441 2.323 20 0 EEADMM Cc1[nH]nc(NC(=O)c2coc(C3CCCCC3)n2)c1-c1nn[n-]n1 ZINC001592330503 1349622439 /nfs/dbraw/zinc/62/24/39/1349622439.db2.gz ICOPXHRAPFKWBS-UHFFFAOYSA-N -1 1 342.363 2.186 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3c(Cl)cc(F)cc3C2)n1 ZINC001592341584 1349623057 /nfs/dbraw/zinc/62/30/57/1349623057.db2.gz XHGHFIUYSZKBKY-UHFFFAOYSA-N -1 1 345.769 2.320 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3c(Cl)cc(F)cc3C2)n1 ZINC001592341584 1349623058 /nfs/dbraw/zinc/62/30/58/1349623058.db2.gz XHGHFIUYSZKBKY-UHFFFAOYSA-N -1 1 345.769 2.320 20 0 EEADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2ccco2)c(-c2nn[n-]n2)c1C ZINC001592509837 1349643661 /nfs/dbraw/zinc/64/36/61/1349643661.db2.gz YRDWPPPQQBDWJJ-JTQLQIEISA-N -1 1 344.375 2.129 20 0 EEADMM Clc1ccc(N[C@@H](c2ncccn2)C2CC2)nc1-c1nnn[n-]1 ZINC001592531948 1349649299 /nfs/dbraw/zinc/64/92/99/1349649299.db2.gz BTMKLFANLUGXSS-LLVKDONJSA-N -1 1 328.767 2.268 20 0 EEADMM Clc1ccc(N[C@@H](c2ncccn2)C2CC2)nc1-c1nn[n-]n1 ZINC001592531948 1349649300 /nfs/dbraw/zinc/64/93/00/1349649300.db2.gz BTMKLFANLUGXSS-LLVKDONJSA-N -1 1 328.767 2.268 20 0 EEADMM Clc1sc(NC[C@H]2Cc3ccccc3O2)nc1-c1nn[n-]n1 ZINC001592542692 1349654113 /nfs/dbraw/zinc/65/41/13/1349654113.db2.gz HUJDGBINTDOZTM-MRVPVSSYSA-N -1 1 334.792 2.392 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3cncc(-c4nnn[n-]4)n3)n2)cc1 ZINC001592642705 1349689099 /nfs/dbraw/zinc/68/90/99/1349689099.db2.gz BVYWWKDBZVNCJI-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3cncc(-c4nn[n-]n4)n3)n2)cc1 ZINC001592642705 1349689103 /nfs/dbraw/zinc/68/91/03/1349689103.db2.gz BVYWWKDBZVNCJI-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1F ZINC001592647195 1349692455 /nfs/dbraw/zinc/69/24/55/1349692455.db2.gz OTBRVLZOZXMKLP-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1F ZINC001592647195 1349692458 /nfs/dbraw/zinc/69/24/58/1349692458.db2.gz OTBRVLZOZXMKLP-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001592647384 1349693110 /nfs/dbraw/zinc/69/31/10/1349693110.db2.gz RGPZZAUUFUFVGU-QWHCGFSZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647384 1349693115 /nfs/dbraw/zinc/69/31/15/1349693115.db2.gz RGPZZAUUFUFVGU-QWHCGFSZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592649462 1349694367 /nfs/dbraw/zinc/69/43/67/1349694367.db2.gz OBTRPKDUEVDZIS-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592649462 1349694376 /nfs/dbraw/zinc/69/43/76/1349694376.db2.gz OBTRPKDUEVDZIS-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(OC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592652163 1349696816 /nfs/dbraw/zinc/69/68/16/1349696816.db2.gz UHJRHNKFNYJYIV-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1ccc(OC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592652163 1349696819 /nfs/dbraw/zinc/69/68/19/1349696819.db2.gz UHJRHNKFNYJYIV-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1ccc(OC(F)F)c(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592652187 1349696834 /nfs/dbraw/zinc/69/68/34/1349696834.db2.gz WFEUXVMDUCFDBP-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1ccc(OC(F)F)c(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592652187 1349696839 /nfs/dbraw/zinc/69/68/39/1349696839.db2.gz WFEUXVMDUCFDBP-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1ccc(OCc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC001592652468 1349696892 /nfs/dbraw/zinc/69/68/92/1349696892.db2.gz LAEFUFIGBCYKQJ-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1ccc(OCc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC001592652468 1349696902 /nfs/dbraw/zinc/69/69/02/1349696902.db2.gz LAEFUFIGBCYKQJ-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)C2)c(F)c1 ZINC001592653127 1349698933 /nfs/dbraw/zinc/69/89/33/1349698933.db2.gz LHGXDQOGBLHIQA-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001592656524 1349700959 /nfs/dbraw/zinc/70/09/59/1349700959.db2.gz AOWWOOYKUKGYRP-GMSGAONNSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001592656524 1349700967 /nfs/dbraw/zinc/70/09/67/1349700967.db2.gz AOWWOOYKUKGYRP-GMSGAONNSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(N2CCCC2)c1CNc1ncncc1-c1nn[n-]n1 ZINC001592657120 1349701544 /nfs/dbraw/zinc/70/15/44/1349701544.db2.gz CRBBHSUAMQVHIO-UHFFFAOYSA-N -1 1 340.366 2.008 20 0 EEADMM O=C(C=Cc1ccco1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592804630 1349715926 /nfs/dbraw/zinc/71/59/26/1349715926.db2.gz SOHLWCRBHADASM-ARJAWSKDSA-N -1 1 331.282 2.068 20 0 EEADMM O=C(C=Cc1ccco1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592804630 1349715931 /nfs/dbraw/zinc/71/59/31/1349715931.db2.gz SOHLWCRBHADASM-ARJAWSKDSA-N -1 1 331.282 2.068 20 0 EEADMM C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ncc(C(=O)[O-])s1 ZINC001593146177 1349742331 /nfs/dbraw/zinc/74/23/31/1349742331.db2.gz LTUXJUHNZIAYKO-QMMMGPOBSA-N -1 1 343.364 2.174 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(Cc2ccccc2F)CC1 ZINC001593244225 1349748589 /nfs/dbraw/zinc/74/85/89/1349748589.db2.gz UXOWSRQQXGCTAJ-UHFFFAOYSA-N -1 1 338.346 2.362 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(Cc2ccccc2F)CC1 ZINC001593244225 1349748590 /nfs/dbraw/zinc/74/85/90/1349748590.db2.gz UXOWSRQQXGCTAJ-UHFFFAOYSA-N -1 1 338.346 2.362 20 0 EEADMM O=C(Nc1cccc2nsnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593250668 1349750624 /nfs/dbraw/zinc/75/06/24/1349750624.db2.gz JBOVFMJZAGWMOR-UHFFFAOYSA-N -1 1 341.331 2.263 20 0 EEADMM O=C(Nc1cccc2nsnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593250668 1349750629 /nfs/dbraw/zinc/75/06/29/1349750629.db2.gz JBOVFMJZAGWMOR-UHFFFAOYSA-N -1 1 341.331 2.263 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593255026 1349751755 /nfs/dbraw/zinc/75/17/55/1349751755.db2.gz BPMRNGRBVLXZOK-CZUORRHYSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001593255026 1349751758 /nfs/dbraw/zinc/75/17/58/1349751758.db2.gz BPMRNGRBVLXZOK-CZUORRHYSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(Cl)c(F)cc1Cl ZINC001593260541 1349754281 /nfs/dbraw/zinc/75/42/81/1349754281.db2.gz NLHWKOPUTKZWQJ-UHFFFAOYSA-N -1 1 342.121 2.288 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2cccc(Cl)c2o1 ZINC001593259460 1349754378 /nfs/dbraw/zinc/75/43/78/1349754378.db2.gz AHBRBDYZUDHURA-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001593281538 1349760735 /nfs/dbraw/zinc/76/07/35/1349760735.db2.gz JDFZKCGZZNRZMI-IMTBSYHQSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@H]([C@H]1CCOC1)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593281538 1349760739 /nfs/dbraw/zinc/76/07/39/1349760739.db2.gz JDFZKCGZZNRZMI-IMTBSYHQSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OCc1ccc2c[nH]nc2c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593300273 1349773296 /nfs/dbraw/zinc/77/32/96/1349773296.db2.gz XAQWGQYGWWGPNM-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1ccc2c[nH]nc2c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593300273 1349773298 /nfs/dbraw/zinc/77/32/98/1349773298.db2.gz XAQWGQYGWWGPNM-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(c2ccccc2)CC1 ZINC001593307949 1349776279 /nfs/dbraw/zinc/77/62/79/1349776279.db2.gz WPOWMIPGUMXOQQ-UHFFFAOYSA-N -1 1 327.369 2.098 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(c2ccccc2)CC1 ZINC001593307949 1349776284 /nfs/dbraw/zinc/77/62/84/1349776284.db2.gz WPOWMIPGUMXOQQ-UHFFFAOYSA-N -1 1 327.369 2.098 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@H](c2ccccc2)CC1 ZINC001593338862 1349784986 /nfs/dbraw/zinc/78/49/86/1349784986.db2.gz IMONUTNATKXHJD-ZDUSSCGKSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@H](c2ccccc2)CC1 ZINC001593338862 1349784989 /nfs/dbraw/zinc/78/49/89/1349784989.db2.gz IMONUTNATKXHJD-ZDUSSCGKSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(CC(F)(F)F)CC1 ZINC001593340918 1349785601 /nfs/dbraw/zinc/78/56/01/1349785601.db2.gz OWAWHQUBNIMLGH-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(CC(F)(F)F)CC1 ZINC001593340918 1349785606 /nfs/dbraw/zinc/78/56/06/1349785606.db2.gz OWAWHQUBNIMLGH-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001593369897 1349791575 /nfs/dbraw/zinc/79/15/75/1349791575.db2.gz QOUYPQNNOXBSGZ-UHFFFAOYSA-N -1 1 349.272 2.470 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001593369897 1349791578 /nfs/dbraw/zinc/79/15/78/1349791578.db2.gz QOUYPQNNOXBSGZ-UHFFFAOYSA-N -1 1 349.272 2.470 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593447997 1349801451 /nfs/dbraw/zinc/80/14/51/1349801451.db2.gz DJQKSVUZAHZXBH-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CC1(Br)CC1 ZINC001593494404 1349819276 /nfs/dbraw/zinc/81/92/76/1349819276.db2.gz MATJQVQDBZIBIA-UHFFFAOYSA-N -1 1 346.188 2.109 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593543850 1349839968 /nfs/dbraw/zinc/83/99/68/1349839968.db2.gz HTGWCZXGBXXSED-CYBMUJFWSA-N -1 1 341.419 2.072 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@@H](OC2CCC2)C1 ZINC001593543850 1349839973 /nfs/dbraw/zinc/83/99/73/1349839973.db2.gz HTGWCZXGBXXSED-CYBMUJFWSA-N -1 1 341.419 2.072 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001593567199 1349853869 /nfs/dbraw/zinc/85/38/69/1349853869.db2.gz GHOILDOJNUYJFU-UHFFFAOYSA-N -1 1 335.396 2.419 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001593567199 1349853872 /nfs/dbraw/zinc/85/38/72/1349853872.db2.gz GHOILDOJNUYJFU-UHFFFAOYSA-N -1 1 335.396 2.419 20 0 EEADMM c1ccc([C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC23CCC3)cc1 ZINC001593573289 1349857187 /nfs/dbraw/zinc/85/71/87/1349857187.db2.gz NNEXAKYQSFGQBW-CQSZACIVSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc2c(c1)CC[C@H](Nc1cc(-c3nnn[n-]3)nc(C3CC3)n1)CO2 ZINC001593580859 1349862166 /nfs/dbraw/zinc/86/21/66/1349862166.db2.gz GUTVTZGXZITHNK-ZDUSSCGKSA-N -1 1 349.398 2.340 20 0 EEADMM c1ccc2c(c1)CC[C@H](Nc1cc(-c3nn[n-]n3)nc(C3CC3)n1)CO2 ZINC001593580859 1349862169 /nfs/dbraw/zinc/86/21/69/1349862169.db2.gz GUTVTZGXZITHNK-ZDUSSCGKSA-N -1 1 349.398 2.340 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CNc1nnc([C@H]2CCCO2)s1 ZINC001593596176 1349870368 /nfs/dbraw/zinc/87/03/68/1349870368.db2.gz OPPFKJVYZQYAAW-MRVPVSSYSA-N -1 1 335.418 2.243 20 0 EEADMM Cc1cc(NC(=O)CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)on1 ZINC001600256619 1350003671 /nfs/dbraw/zinc/00/36/71/1350003671.db2.gz XSKGJVMGZSDDNF-MRXNPFEDSA-N -1 1 335.335 2.040 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@](O)(C2CC2)C1 ZINC001600352098 1350026578 /nfs/dbraw/zinc/02/65/78/1350026578.db2.gz IRWZHOSJGZKPIX-YJYMSZOUSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600533313 1350075657 /nfs/dbraw/zinc/07/56/57/1350075657.db2.gz LVGDPMOQVQECEM-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)CCC1 ZINC001600573732 1350086781 /nfs/dbraw/zinc/08/67/81/1350086781.db2.gz LAPJZGWUIFMDGX-MRXNPFEDSA-N -1 1 344.455 2.424 20 0 EEADMM Cc1cccnc1NC(=O)CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600592975 1350092578 /nfs/dbraw/zinc/09/25/78/1350092578.db2.gz NVVMNIZTKXPGPY-GOSISDBHSA-N -1 1 345.374 2.447 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001600675342 1350115001 /nfs/dbraw/zinc/11/50/01/1350115001.db2.gz UUYNIYIWPKOOST-UHFFFAOYSA-N -1 1 343.387 2.152 20 0 EEADMM Cc1nc([C@@H](C)NCc2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC001600792659 1350138513 /nfs/dbraw/zinc/13/85/13/1350138513.db2.gz QFWINQMSGYBQRV-SSDOTTSWSA-N -1 1 339.193 2.425 20 0 EEADMM Cc1scc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C ZINC001600890594 1350161462 /nfs/dbraw/zinc/16/14/62/1350161462.db2.gz VKQHEVFOTBGUJA-NSHDSACASA-N -1 1 339.461 2.055 20 0 EEADMM Cn1cc(CNCc2cccc(OCC(=O)[O-])c2)c(C(F)F)n1 ZINC001600954917 1350176322 /nfs/dbraw/zinc/17/63/22/1350176322.db2.gz QBOFUNZDDHPSKI-UHFFFAOYSA-N -1 1 325.315 2.111 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@H](c2ccccn2)C2CC2)cc1 ZINC001601323772 1350257000 /nfs/dbraw/zinc/25/70/00/1350257000.db2.gz MIWJIZCSJITVAK-KRWDZBQOSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])c1cccc(CC(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC001601363990 1350267472 /nfs/dbraw/zinc/26/74/72/1350267472.db2.gz UFBYEDYLDYIHFH-SFHVURJKSA-N -1 1 338.407 2.318 20 0 EEADMM O=C([O-])c1cc2cccc(NC(=O)NCCc3nc[nH]n3)c2s1 ZINC001601515775 1350298750 /nfs/dbraw/zinc/29/87/50/1350298750.db2.gz CDDZLQQUBCROPK-UHFFFAOYSA-N -1 1 331.357 2.082 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(Oc2ccccc2)o1 ZINC001601567991 1350308388 /nfs/dbraw/zinc/30/83/88/1350308388.db2.gz DUIWOKTYCKRILE-CYBMUJFWSA-N -1 1 341.323 2.221 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2nc1Cl ZINC001601568440 1350308543 /nfs/dbraw/zinc/30/85/43/1350308543.db2.gz ROSBAWSSZCDMHW-CYBMUJFWSA-N -1 1 344.758 2.037 20 0 EEADMM O=C([O-])c1ccnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001601584131 1350313089 /nfs/dbraw/zinc/31/30/89/1350313089.db2.gz SPAHIYIYMFDVPD-OAHLLOKOSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])c1cc(CN2CCC(NC(=O)Nc3ccccc3)CC2)c[nH]1 ZINC001601622921 1350321705 /nfs/dbraw/zinc/32/17/05/1350321705.db2.gz IKXXFSMFONYVOL-UHFFFAOYSA-N -1 1 342.399 2.499 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(C[C@H]3CC[C@H](c4ccccc4)O3)C2)C1 ZINC001601745070 1350353433 /nfs/dbraw/zinc/35/34/33/1350353433.db2.gz RFYRFIVQWWMXNO-QGPMSJSTSA-N -1 1 330.384 2.212 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC001601765177 1350359107 /nfs/dbraw/zinc/35/91/07/1350359107.db2.gz OGUJCOKBTCDZSS-ZJUUUORDSA-N -1 1 349.770 2.106 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccsc1Cl)C[C@H]2C(=O)[O-] ZINC001601781546 1350363321 /nfs/dbraw/zinc/36/33/21/1350363321.db2.gz PCJAHDMJARSGRQ-XIRUVYRFSA-N -1 1 329.805 2.399 20 0 EEADMM O=C([O-])C[C@@]1(NCc2cc(F)ccc2Br)CCOC1 ZINC001601936084 1350401075 /nfs/dbraw/zinc/40/10/75/1350401075.db2.gz IUYYHWBBRKHJAR-ZDUSSCGKSA-N -1 1 332.169 2.312 20 0 EEADMM O=C([O-])CCCN(Cc1ccccc1)CN1C[C@H](C(F)F)CC1=O ZINC001601989250 1350412025 /nfs/dbraw/zinc/41/20/25/1350412025.db2.gz PBVMVHGAKVMNNK-CQSZACIVSA-N -1 1 340.370 2.425 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2ccccc2O)CC1 ZINC001602144403 1350449660 /nfs/dbraw/zinc/44/96/60/1350449660.db2.gz RKPVKEDHXSBYBZ-UHFFFAOYSA-N -1 1 326.396 2.342 20 0 EEADMM O=C([O-])Cc1csc(NC(=O)c2c(O)cnc3c(F)cccc32)n1 ZINC001602153295 1350453009 /nfs/dbraw/zinc/45/30/09/1350453009.db2.gz JHUVOANTUIKIHP-UHFFFAOYSA-N -1 1 347.327 2.415 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC001602278635 1350484234 /nfs/dbraw/zinc/48/42/34/1350484234.db2.gz FWDBLUQTUMCWTB-NSHDSACASA-N -1 1 337.339 2.110 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@H]2C(=O)NC2CC2)c2ncccc12 ZINC001602337458 1350497565 /nfs/dbraw/zinc/49/75/65/1350497565.db2.gz IPOKMHUPMIEQMH-INIZCTEOSA-N -1 1 339.395 2.176 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c(F)c1 ZINC001602343306 1350499749 /nfs/dbraw/zinc/49/97/49/1350499749.db2.gz HRWOQYSZVNCIOE-UHFFFAOYSA-N -1 1 340.310 2.295 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3C[C@@H]4CCC[C@]4(CO)C3)c2c1 ZINC001602409525 1350512987 /nfs/dbraw/zinc/51/29/87/1350512987.db2.gz BINBUKFUIXSSFY-ORAYPTAESA-N -1 1 342.395 2.143 20 0 EEADMM O=C([O-])c1cnc(N2CCN(C3CCC3)CC2)c(C(F)(F)F)c1 ZINC001602527008 1350538950 /nfs/dbraw/zinc/53/89/50/1350538950.db2.gz KSDVQHDSAOWNIC-UHFFFAOYSA-N -1 1 329.322 2.473 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)NCC(F)(F)c2cccc(F)c2)c1 ZINC001602556966 1350545360 /nfs/dbraw/zinc/54/53/60/1350545360.db2.gz NJBGABSIGIKFTK-UHFFFAOYSA-N -1 1 349.286 2.187 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602606108 1350555398 /nfs/dbraw/zinc/55/53/98/1350555398.db2.gz JPVIYADZCKPEHR-HNNXBMFYSA-N -1 1 337.335 2.324 20 0 EEADMM CC(=O)C1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001602914529 1350606104 /nfs/dbraw/zinc/60/61/04/1350606104.db2.gz PFYPVNUXOKMNOY-UHFFFAOYSA-N -1 1 340.309 2.086 20 0 EEADMM CC(=O)C1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001602914529 1350606109 /nfs/dbraw/zinc/60/61/09/1350606109.db2.gz PFYPVNUXOKMNOY-UHFFFAOYSA-N -1 1 340.309 2.086 20 0 EEADMM CC(C)(C)c1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001603124080 1350646169 /nfs/dbraw/zinc/64/61/69/1350646169.db2.gz MEAGHBLWUPLUDY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001603124080 1350646173 /nfs/dbraw/zinc/64/61/73/1350646173.db2.gz MEAGHBLWUPLUDY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CCc2ccccc2C1 ZINC001603751407 1350757845 /nfs/dbraw/zinc/75/78/45/1350757845.db2.gz HDWGFHKMJRYENV-INIZCTEOSA-N -1 1 340.412 2.457 20 0 EEADMM C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CCc2ccccc2C1 ZINC001603751407 1350757847 /nfs/dbraw/zinc/75/78/47/1350757847.db2.gz HDWGFHKMJRYENV-INIZCTEOSA-N -1 1 340.412 2.457 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001603767215 1350761387 /nfs/dbraw/zinc/76/13/87/1350761387.db2.gz YCWFRABNGUDGAX-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001603767215 1350761393 /nfs/dbraw/zinc/76/13/93/1350761393.db2.gz YCWFRABNGUDGAX-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM C[C@@H]1C[C@H](Nc2cc(Br)cnc2-c2nnn[n-]2)CCO1 ZINC001603860505 1350785238 /nfs/dbraw/zinc/78/52/38/1350785238.db2.gz FTGVINIBNCXBRF-VXNVDRBHSA-N -1 1 339.197 2.004 20 0 EEADMM C[C@@H]1C[C@H](Nc2cc(Br)cnc2-c2nn[n-]n2)CCO1 ZINC001603860505 1350785239 /nfs/dbraw/zinc/78/52/39/1350785239.db2.gz FTGVINIBNCXBRF-VXNVDRBHSA-N -1 1 339.197 2.004 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603891144 1350794605 /nfs/dbraw/zinc/79/46/05/1350794605.db2.gz PQSQEZREOHUVEC-BXUZGUMPSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603891144 1350794611 /nfs/dbraw/zinc/79/46/11/1350794611.db2.gz PQSQEZREOHUVEC-BXUZGUMPSA-N -1 1 331.376 2.014 20 0 EEADMM CC(C)[C@H](NC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C)C(=O)[O-] ZINC001603972990 1350816788 /nfs/dbraw/zinc/81/67/88/1350816788.db2.gz QJCCZIOGNNNIFX-MRRJBJDNSA-N -1 1 336.407 2.229 20 0 EEADMM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001604163196 1350880409 /nfs/dbraw/zinc/88/04/09/1350880409.db2.gz PDTMHQLNLDXZTN-JTQLQIEISA-N -1 1 341.412 2.205 20 0 EEADMM CCCC[C@@H](Sc1cc(-c2nnn[n-]2)nc(CC)n1)C(=O)OC ZINC001604166991 1350881940 /nfs/dbraw/zinc/88/19/40/1350881940.db2.gz OBQDQLLQLYVXMJ-SNVBAGLBSA-N -1 1 336.421 2.043 20 0 EEADMM CCCC[C@@H](Sc1cc(-c2nn[n-]n2)nc(CC)n1)C(=O)OC ZINC001604166991 1350881944 /nfs/dbraw/zinc/88/19/44/1350881944.db2.gz OBQDQLLQLYVXMJ-SNVBAGLBSA-N -1 1 336.421 2.043 20 0 EEADMM C[C@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)[C@H](C(N)=O)C1 ZINC001604757508 1350998020 /nfs/dbraw/zinc/99/80/20/1350998020.db2.gz SYPCHOOTUQYFGU-NHYWBVRUSA-N -1 1 327.384 2.019 20 0 EEADMM CN=[S@@](C)(=O)c1cccc(Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001604872435 1351023604 /nfs/dbraw/zinc/02/36/04/1351023604.db2.gz HXOZDOXKKLCGFI-QHCPKHFHSA-N -1 1 349.445 2.462 20 0 EEADMM CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604967300 1351041348 /nfs/dbraw/zinc/04/13/48/1351041348.db2.gz BIGLZDZYAAYLOA-TUAOUCFPSA-N -1 1 339.461 2.324 20 0 EEADMM COCc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)cc1 ZINC001605131878 1351084067 /nfs/dbraw/zinc/08/40/67/1351084067.db2.gz CTTCNBQZKXTTAZ-CSKARUKUSA-N -1 1 338.371 2.378 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1F ZINC001605264233 1351119229 /nfs/dbraw/zinc/11/92/29/1351119229.db2.gz YVKLEYAYSMGTNQ-SECBINFHSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1F ZINC001605264233 1351119232 /nfs/dbraw/zinc/11/92/32/1351119232.db2.gz YVKLEYAYSMGTNQ-SECBINFHSA-N -1 1 329.339 2.286 20 0 EEADMM CCCc1c(C(=O)NCc2n[nH]c(C(C)(C)C)n2)[nH]c(C)c1C(=O)[O-] ZINC001605366289 1351145179 /nfs/dbraw/zinc/14/51/79/1351145179.db2.gz QXIXYPDKTOOUAV-UHFFFAOYSA-N -1 1 347.419 2.319 20 0 EEADMM Cc1cc(-c2nn[nH]n2)cnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001605552483 1351188742 /nfs/dbraw/zinc/18/87/42/1351188742.db2.gz NSYRGRMXPQRCBT-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3cccc(Cl)c3C2)n1 ZINC001605566362 1351191495 /nfs/dbraw/zinc/19/14/95/1351191495.db2.gz YUJOQHNZSLFOHM-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3cccc(Cl)c3C2)n1 ZINC001605566362 1351191497 /nfs/dbraw/zinc/19/14/97/1351191497.db2.gz YUJOQHNZSLFOHM-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)s2)cc1C(F)(F)F ZINC001605585873 1351195285 /nfs/dbraw/zinc/19/52/85/1351195285.db2.gz HADZZVKURKTLPN-UHFFFAOYSA-N -1 1 341.318 2.465 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc(C)c1F ZINC001605624493 1351204054 /nfs/dbraw/zinc/20/40/54/1351204054.db2.gz HGFQYOQOUPUPMG-UHFFFAOYSA-N -1 1 341.350 2.475 20 0 EEADMM CCOC[C@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)C1 ZINC001605625722 1351204071 /nfs/dbraw/zinc/20/40/71/1351204071.db2.gz GMDOOZGXNSSIIH-LBPRGKRZSA-N -1 1 330.384 2.407 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)c(C)s1 ZINC001605635357 1351206612 /nfs/dbraw/zinc/20/66/12/1351206612.db2.gz JWMNMSQZPFTNFJ-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)c(C)s1 ZINC001605635357 1351206614 /nfs/dbraw/zinc/20/66/14/1351206614.db2.gz JWMNMSQZPFTNFJ-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1ccc([C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)o1 ZINC001605827210 1351230531 /nfs/dbraw/zinc/23/05/31/1351230531.db2.gz FIRQAHYMWRDIIG-ZCFIWIBFSA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc([C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001605827210 1351230533 /nfs/dbraw/zinc/23/05/33/1351230533.db2.gz FIRQAHYMWRDIIG-ZCFIWIBFSA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c(C)c1 ZINC001605832517 1351231605 /nfs/dbraw/zinc/23/16/05/1351231605.db2.gz VQORKNJHJPIEFU-UHFFFAOYSA-N -1 1 348.410 2.340 20 0 EEADMM Cc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c(C)c1 ZINC001605832517 1351231606 /nfs/dbraw/zinc/23/16/06/1351231606.db2.gz VQORKNJHJPIEFU-UHFFFAOYSA-N -1 1 348.410 2.340 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)n[nH]1 ZINC001605845379 1351234513 /nfs/dbraw/zinc/23/45/13/1351234513.db2.gz MISGYJOLNJNCOY-LURJTMIESA-N -1 1 339.302 2.226 20 0 EEADMM Cc1ccc(N2CCc3c(F)cc(F)cc3C2)c(-c2nnn[n-]2)n1 ZINC001605869066 1351241911 /nfs/dbraw/zinc/24/19/11/1351241911.db2.gz VOYSAWGKQYKWLB-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ccc(N2CCc3c(F)cc(F)cc3C2)c(-c2nn[n-]n2)n1 ZINC001605869066 1351241913 /nfs/dbraw/zinc/24/19/13/1351241913.db2.gz VOYSAWGKQYKWLB-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ccc(Nc2nc(Cn3cnc(-c4nn[n-]n4)n3)cs2)cc1 ZINC001605875865 1351243966 /nfs/dbraw/zinc/24/39/66/1351243966.db2.gz RNIZQPUVSSSYNC-UHFFFAOYSA-N -1 1 339.388 2.015 20 0 EEADMM CCn1cc([C@@H](C)N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cn1 ZINC001605919221 1351254026 /nfs/dbraw/zinc/25/40/26/1351254026.db2.gz YSXPXQQUTHTNNB-BZNIZROVSA-N -1 1 333.388 2.397 20 0 EEADMM Cc1nc2c(s1)[C@H](OC(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001606082591 1351268439 /nfs/dbraw/zinc/26/84/39/1351268439.db2.gz SVFUCPBEGGLCCQ-GFCCVEGCSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nc2c(s1)[C@H](OC(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001606082591 1351268443 /nfs/dbraw/zinc/26/84/43/1351268443.db2.gz SVFUCPBEGGLCCQ-GFCCVEGCSA-N -1 1 342.384 2.261 20 0 EEADMM Clc1nsc(N2CCn3nc(C4CC4)cc3C2)c1-c1nnn[n-]1 ZINC001606201075 1351284823 /nfs/dbraw/zinc/28/48/23/1351284823.db2.gz RYRWTACLXQKSET-UHFFFAOYSA-N -1 1 348.823 2.071 20 0 EEADMM Clc1nsc(N2CCn3nc(C4CC4)cc3C2)c1-c1nn[n-]n1 ZINC001606201075 1351284825 /nfs/dbraw/zinc/28/48/25/1351284825.db2.gz RYRWTACLXQKSET-UHFFFAOYSA-N -1 1 348.823 2.071 20 0 EEADMM CNc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c(Cl)c1 ZINC001606309845 1351291413 /nfs/dbraw/zinc/29/14/13/1351291413.db2.gz AFBJDPNNOAWGHN-UHFFFAOYSA-N -1 1 339.823 2.003 20 0 EEADMM COC(=O)C1=CC[C@H](NCc2oc(Br)cc2C(=O)[O-])C1 ZINC001606359306 1351297185 /nfs/dbraw/zinc/29/71/85/1351297185.db2.gz POSDGVZSGNFNJE-QMMMGPOBSA-N -1 1 344.161 2.092 20 0 EEADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)Nc1ccccc1Cl ZINC001606572509 1351324339 /nfs/dbraw/zinc/32/43/39/1351324339.db2.gz VUVFXTDUHPPTDD-UHFFFAOYSA-N -1 1 348.725 2.072 20 0 EEADMM CO[C@@]1(C(=O)[O-])CCN(Cc2sc(C)cc2Br)C1 ZINC001606705841 1351344549 /nfs/dbraw/zinc/34/45/49/1351344549.db2.gz GYRDUNHYBPEUFJ-LBPRGKRZSA-N -1 1 334.235 2.495 20 0 EEADMM O=C(NCCCc1ccsc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606775892 1351355203 /nfs/dbraw/zinc/35/52/03/1351355203.db2.gz NWDMXBQYSXDWLG-UHFFFAOYSA-N -1 1 331.376 2.430 20 0 EEADMM O=C(NCCCc1ccsc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606775892 1351355206 /nfs/dbraw/zinc/35/52/06/1351355206.db2.gz NWDMXBQYSXDWLG-UHFFFAOYSA-N -1 1 331.376 2.430 20 0 EEADMM COCOc1ccc(OC)cc1CNCc1cc(C(=O)[O-])c(C)n1C ZINC001606937201 1351379754 /nfs/dbraw/zinc/37/97/54/1351379754.db2.gz QDCMOSARMDDRLE-UHFFFAOYSA-N -1 1 348.399 2.313 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccsc1-c1nnn[n-]1 ZINC001606938975 1351380610 /nfs/dbraw/zinc/38/06/10/1351380610.db2.gz NLNZINRYVDMAOS-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccsc1-c1nn[n-]n1 ZINC001606938975 1351380613 /nfs/dbraw/zinc/38/06/13/1351380613.db2.gz NLNZINRYVDMAOS-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1ccc(-c2nn[nH]n2)o1 ZINC001606945356 1351380924 /nfs/dbraw/zinc/38/09/24/1351380924.db2.gz UUPLEBZMXYROCO-UHFFFAOYSA-N -1 1 327.348 2.414 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606945356 1351380925 /nfs/dbraw/zinc/38/09/25/1351380925.db2.gz UUPLEBZMXYROCO-UHFFFAOYSA-N -1 1 327.348 2.414 20 0 EEADMM CON(C)C(=O)C1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001606990400 1351393853 /nfs/dbraw/zinc/39/38/53/1351393853.db2.gz YZCPKNNBZVMTTH-UHFFFAOYSA-N -1 1 340.807 2.270 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114449 1351424259 /nfs/dbraw/zinc/42/42/59/1351424259.db2.gz KJGWQICIYYHJPT-HIFRSBDPSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114449 1351424261 /nfs/dbraw/zinc/42/42/61/1351424261.db2.gz KJGWQICIYYHJPT-HIFRSBDPSA-N -1 1 341.419 2.294 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)[C@H]3CCOC[C@@H]23)cc1 ZINC001607129304 1351431311 /nfs/dbraw/zinc/43/13/11/1351431311.db2.gz JFIZSVQMMWSMIF-ZOBUZTSGSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)[C@H]3CCOC[C@@H]23)cc1 ZINC001607129304 1351431313 /nfs/dbraw/zinc/43/13/13/1351431313.db2.gz JFIZSVQMMWSMIF-ZOBUZTSGSA-N -1 1 348.410 2.271 20 0 EEADMM COc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)c(F)c1OC ZINC001607260059 1351460916 /nfs/dbraw/zinc/46/09/16/1351460916.db2.gz PBNOCIHKZRTJIG-UHFFFAOYSA-N -1 1 336.363 2.478 20 0 EEADMM COc1ccc2cc(CN3CCC[C@@H]3C(=O)NCC(=O)[O-])ccc2c1 ZINC001607302050 1351468476 /nfs/dbraw/zinc/46/84/76/1351468476.db2.gz ISWWZTYIIZJLIB-QGZVFWFLSA-N -1 1 342.395 2.014 20 0 EEADMM COc1cccc([C@@H](N)C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001607314364 1351471338 /nfs/dbraw/zinc/47/13/38/1351471338.db2.gz XMGXPDAZYPMYDV-OAHLLOKOSA-N -1 1 334.416 2.236 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC001607597837 1351522138 /nfs/dbraw/zinc/52/21/38/1351522138.db2.gz STSFDNCXDALFMX-UHFFFAOYSA-N -1 1 346.412 2.199 20 0 EEADMM Cc1cc(CCC(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])n[nH]1 ZINC001607638225 1351530541 /nfs/dbraw/zinc/53/05/41/1351530541.db2.gz OKRPJOGVVPDVSY-XJKSGUPXSA-N -1 1 329.400 2.099 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCN1C1CCCC1 ZINC001607700962 1351542528 /nfs/dbraw/zinc/54/25/28/1351542528.db2.gz GPNOMEKUXRLJJI-INIZCTEOSA-N -1 1 332.400 2.414 20 0 EEADMM Cc1ccc2cc(OS(=O)(=O)c3cc(C(=O)[O-])n[nH]3)ccc2c1 ZINC001607834262 1351567879 /nfs/dbraw/zinc/56/78/79/1351567879.db2.gz VCQYJCHTJGXPPD-UHFFFAOYSA-N -1 1 332.337 2.337 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)c2ccc3cncn3c2)C(=O)[O-])c1 ZINC001607848990 1351570943 /nfs/dbraw/zinc/57/09/43/1351570943.db2.gz AOVTVHMKCHCUGI-MRXNPFEDSA-N -1 1 337.379 2.316 20 0 EEADMM Cc1[nH+]c(N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1C(=O)[O-] ZINC001607960066 1351593123 /nfs/dbraw/zinc/59/31/23/1351593123.db2.gz CJDCLMXEOVIELF-UHFFFAOYSA-N -1 1 330.369 2.435 20 0 EEADMM Cc1oc(CNC(=O)Nc2cnn(-c3ccncc3)c2)cc1C(=O)[O-] ZINC001608051597 1351614720 /nfs/dbraw/zinc/61/47/20/1351614720.db2.gz WOGAAYYDGRPMCT-UHFFFAOYSA-N -1 1 341.327 2.189 20 0 EEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001608390500 1351684944 /nfs/dbraw/zinc/68/49/44/1351684944.db2.gz QZDPVVNLVRFLNG-MRVPVSSYSA-N -1 1 335.669 2.352 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccsc1 ZINC001608391465 1351685479 /nfs/dbraw/zinc/68/54/79/1351685479.db2.gz OOGIVKYJFCRUBR-GFCCVEGCSA-N -1 1 328.353 2.089 20 0 EEADMM O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1cccc([O-])c1F ZINC001627197085 1352487240 /nfs/dbraw/zinc/48/72/40/1352487240.db2.gz IFUFOLKWDHNDRJ-LBPRGKRZSA-N -1 1 343.314 2.045 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cn1 ZINC001629758446 1352557862 /nfs/dbraw/zinc/55/78/62/1352557862.db2.gz INOIFPNPIATQQO-UHFFFAOYSA-N -1 1 338.323 2.216 20 0 EEADMM CSC[C@H]1CCCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001646686635 1352922146 /nfs/dbraw/zinc/92/21/46/1352922146.db2.gz DIPUEJPQMRZJTD-LLVKDONJSA-N -1 1 346.460 2.187 20 0 EEADMM C[C@H]1SCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)[C@@H]1C ZINC001646929093 1353053113 /nfs/dbraw/zinc/05/31/13/1353053113.db2.gz RIVUHBDWBAGGLQ-NXEZZACHSA-N -1 1 334.449 2.114 20 0 EEADMM C[C@@H](CN(C)C(=O)C(F)(F)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001649755770 1353586839 /nfs/dbraw/zinc/58/68/39/1353586839.db2.gz DEIDGFDTUHZGGH-QMMMGPOBSA-N -1 1 329.738 2.207 20 0 EEADMM COc1ccc(C[N@@H+](CCO)Cc2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC001649969980 1353669668 /nfs/dbraw/zinc/66/96/68/1353669668.db2.gz WMZGADHOJWTIOV-UHFFFAOYSA-N -1 1 329.400 2.063 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)c1Cl ZINC001649985789 1353676080 /nfs/dbraw/zinc/67/60/80/1353676080.db2.gz CYMKGSOUNWOJBS-VIFPVBQESA-N -1 1 331.743 2.240 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCC2 ZINC001185909521 1368173453 /nfs/dbraw/zinc/17/34/53/1368173453.db2.gz ZFNWIJLFJBFQNY-UHFFFAOYSA-N -1 1 333.365 2.429 20 0 EEADMM COC(=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnoc2C)c1 ZINC001187376904 1368239505 /nfs/dbraw/zinc/23/95/05/1368239505.db2.gz QTUUTLWYNDMEJU-UHFFFAOYSA-N -1 1 344.776 2.153 20 0 EEADMM COc1ncnc([N-]C(=O)c2ncsc2C(F)(F)F)c1OC ZINC001188207922 1368289762 /nfs/dbraw/zinc/28/97/62/1368289762.db2.gz XKCODRCAXXRWEN-UHFFFAOYSA-N -1 1 334.279 2.221 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc(S(=O)(=O)C(C)C)cc1 ZINC001195482187 1368540830 /nfs/dbraw/zinc/54/08/30/1368540830.db2.gz GCSSHSKAYPCQTC-UHFFFAOYSA-N -1 1 330.431 2.312 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)c1cn(-c2ccccc2)nc1C ZINC001199204062 1368676866 /nfs/dbraw/zinc/67/68/66/1368676866.db2.gz JBWBHEFDCVYHPK-UHFFFAOYSA-N -1 1 339.355 2.333 20 0 EEADMM CCOc1ncc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001199225995 1368678209 /nfs/dbraw/zinc/67/82/09/1368678209.db2.gz LRWLVVOQAPHXPB-UHFFFAOYSA-N -1 1 325.328 2.019 20 0 EEADMM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000856309979 1369412698 /nfs/dbraw/zinc/41/26/98/1369412698.db2.gz UCGHCJIUXPVIOI-KPZWWZAWSA-N -1 1 349.431 2.466 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000842755300 1369917340 /nfs/dbraw/zinc/91/73/40/1369917340.db2.gz FOVGQYNVCIJMGZ-LBPRGKRZSA-N -1 1 328.368 2.245 20 0 EEADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(Cl)n2)C1)c1ncccc1[O-] ZINC001069461947 1370134307 /nfs/dbraw/zinc/13/43/07/1370134307.db2.gz VNWLTUJBSQRKBA-MNOVXSKESA-N -1 1 347.806 2.241 20 0 EEADMM CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952859 1370586995 /nfs/dbraw/zinc/58/69/95/1370586995.db2.gz RQHHHCZFGAUUER-GXTWGEPZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1[nH]c(CN2CCC[C@@H](Oc3nccnc3C)C2)c(C)c1C(=O)[O-] ZINC001140499153 1372588495 /nfs/dbraw/zinc/58/84/95/1372588495.db2.gz OFAKIQMPVSUKJM-CQSZACIVSA-N -1 1 344.415 2.472 20 0 EEADMM C[C@@H](CCCc1cccnc1)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000839075018 1372890346 /nfs/dbraw/zinc/89/03/46/1372890346.db2.gz QYFCVZPSSJTWML-ZDUSSCGKSA-N -1 1 338.415 2.270 20 0 EEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000847077074 1372982557 /nfs/dbraw/zinc/98/25/57/1372982557.db2.gz GJXLEYLYINSSOY-SECBINFHSA-N -1 1 346.368 2.225 20 0 EEADMM Cc1nc(Cl)c(Cl)cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000847726421 1373004958 /nfs/dbraw/zinc/00/49/58/1373004958.db2.gz XZSJVASSSRBZCW-LURJTMIESA-N -1 1 329.191 2.086 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2nnn[n-]2)c2ccccc21 ZINC001362003340 1373359624 /nfs/dbraw/zinc/35/96/24/1373359624.db2.gz HDRYBYJNWDXUDQ-SNVBAGLBSA-N -1 1 344.375 2.067 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@@H](CC(=O)Nc2nn[n-]n2)c2ccccc21 ZINC001362003340 1373359626 /nfs/dbraw/zinc/35/96/26/1373359626.db2.gz HDRYBYJNWDXUDQ-SNVBAGLBSA-N -1 1 344.375 2.067 20 0 EEADMM C[C@H](C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccn1 ZINC001362217441 1373378749 /nfs/dbraw/zinc/37/87/49/1373378749.db2.gz BPDKQJHDYNUFDJ-JTQLQIEISA-N -1 1 337.376 2.334 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC001362309196 1373392114 /nfs/dbraw/zinc/39/21/14/1373392114.db2.gz XLUPOJFCCBQRTL-LLVKDONJSA-N -1 1 329.381 2.270 20 0 EEADMM C[C@@H](CSC(F)(F)F)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001362717038 1373454899 /nfs/dbraw/zinc/45/48/99/1373454899.db2.gz SJYUYZIWDJONCL-WCBMZHEXSA-N -1 1 345.350 2.294 20 0 EEADMM CN(C)C(=O)C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001362735946 1373457269 /nfs/dbraw/zinc/45/72/69/1373457269.db2.gz FVDUKYSBUDYSNV-OAHLLOKOSA-N -1 1 330.359 2.481 20 0 EEADMM CO[C@@H](C(=O)Nc1cccc([O-])c1Br)c1cnn(C)c1 ZINC001363015947 1373475674 /nfs/dbraw/zinc/47/56/74/1373475674.db2.gz NJFZWUGXGVDQOL-GFCCVEGCSA-N -1 1 340.177 2.214 20 0 EEADMM Cc1ccn(CC(=O)Nc2cccc([O-])c2Br)c(=O)c1 ZINC001363015966 1373475704 /nfs/dbraw/zinc/47/57/04/1373475704.db2.gz OBTXGHGCGBIETG-UHFFFAOYSA-N -1 1 337.173 2.264 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001363046935 1373477663 /nfs/dbraw/zinc/47/76/63/1373477663.db2.gz HZWJRSWLGWQXMJ-UHFFFAOYSA-N -1 1 335.404 2.355 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001363465318 1373522340 /nfs/dbraw/zinc/52/23/40/1373522340.db2.gz HZZQTHLPZFPWBV-SYEHKZFSSA-N -1 1 332.366 2.481 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001370260462 1374861190 /nfs/dbraw/zinc/86/11/90/1374861190.db2.gz XQVVWHZVKNJTRZ-KBPBESRZSA-N -1 1 333.432 2.381 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001373150067 1376464476 /nfs/dbraw/zinc/46/44/76/1376464476.db2.gz QQEHEZZPGJOQQZ-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1ccoc1C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001380531047 1381274484 /nfs/dbraw/zinc/27/44/84/1381274484.db2.gz ISABVQCDOPUHGC-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM Cc1c(F)cccc1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001383730178 1382691354 /nfs/dbraw/zinc/69/13/54/1382691354.db2.gz UAMVEISHCKMXHN-NSHDSACASA-N -1 1 345.374 2.125 20 0 EEADMM CCCC1(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001384547162 1384670989 /nfs/dbraw/zinc/67/09/89/1384670989.db2.gz ZLQXUULXLNBXLT-OLZOCXBDSA-N -1 1 333.432 2.381 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(F)c(C)c1 ZINC001387179976 1386553902 /nfs/dbraw/zinc/55/39/02/1386553902.db2.gz KPPRMTJMESXHQI-UHFFFAOYSA-N -1 1 345.374 2.127 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001387444144 1386738641 /nfs/dbraw/zinc/73/86/41/1386738641.db2.gz XWAYYNCTPMYQAE-SJKOYZFVSA-N -1 1 339.411 2.330 20 0 EEADMM CCC1(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])CCCC1 ZINC001391808428 1389619537 /nfs/dbraw/zinc/61/95/37/1389619537.db2.gz PYAYKDVRLGHNMX-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CN(C(=O)CC(C)(C)C)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001395481407 1390826949 /nfs/dbraw/zinc/82/69/49/1390826949.db2.gz YYENGEYEEDVOIV-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001395947452 1390885448 /nfs/dbraw/zinc/88/54/48/1390885448.db2.gz JUTNKQMWTZYKHI-KGLIPLIRSA-N -1 1 347.459 2.484 20 0 EEADMM CC1(C)CCC(CC(=O)NC[C@@H](NCc2n[nH]c(=O)[n-]2)C2CC2)CC1 ZINC001398463388 1392850539 /nfs/dbraw/zinc/85/05/39/1392850539.db2.gz WZJCKSUYCWNQHZ-CQSZACIVSA-N -1 1 349.479 2.101 20 0 EEADMM C[C@@](CNC(=O)c1ncccc1[O-])(NC(=O)c1ccsc1)C1CC1 ZINC001399167210 1394773543 /nfs/dbraw/zinc/77/35/43/1394773543.db2.gz LEQDEOXQIRLESV-KRWDZBQOSA-N -1 1 345.424 2.177 20 0 EEADMM Cc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])cc1F ZINC001399361192 1395006536 /nfs/dbraw/zinc/00/65/36/1395006536.db2.gz YGRPYIQPVGEQDZ-NSHDSACASA-N -1 1 345.374 2.031 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccsc1 ZINC001399575123 1395266151 /nfs/dbraw/zinc/26/61/51/1395266151.db2.gz NJFARRGKZRQOBV-GFCCVEGCSA-N -1 1 333.413 2.033 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])[C@@H](C)c1nnc(C)s1 ZINC001399955053 1395740564 /nfs/dbraw/zinc/74/05/64/1395740564.db2.gz JQFQDRUXRAYJIS-NSHDSACASA-N -1 1 349.460 2.150 20 0 EEADMM O=C(NCCN(Cc1ccc(F)cc1F)C1CC1)c1ncccc1[O-] ZINC001400007268 1395802907 /nfs/dbraw/zinc/80/29/07/1395802907.db2.gz DPIHEYLJJLVFQI-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)CC1CCC1 ZINC001423986906 1400849083 /nfs/dbraw/zinc/84/90/83/1400849083.db2.gz MIGPWXUAAUAVRO-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CNC(=O)C1CCC2(CC2)CC1)N(C)C(=O)c1ncccc1[O-] ZINC001424218819 1400976914 /nfs/dbraw/zinc/97/69/14/1400976914.db2.gz JFZVLMKFQXPJMB-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C(=O)NC[C@H]2CCCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001424458604 1401119876 /nfs/dbraw/zinc/11/98/76/1401119876.db2.gz RDAVLBHUUQTYPD-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H](NC(=O)Nc1nn[nH]c1C(=O)NC1CC1)[C@H]1CCC[C@@H](C)C1 ZINC001426387605 1402061117 /nfs/dbraw/zinc/06/11/17/1402061117.db2.gz LNZDOZVYZPYZSM-VWYCJHECSA-N -1 1 334.424 2.033 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCC1CC1 ZINC001431218826 1403002542 /nfs/dbraw/zinc/00/25/42/1403002542.db2.gz DRFMKEFMJFHVMG-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)c1ccsc1 ZINC001432162568 1403210039 /nfs/dbraw/zinc/21/00/39/1403210039.db2.gz FHKBNQSURDQLFI-LLVKDONJSA-N -1 1 345.424 2.031 20 0 EEADMM C[C@@H](Oc1cccc(F)c1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575493034 1403551449 /nfs/dbraw/zinc/55/14/49/1403551449.db2.gz INTPQJYODYLHJH-SECBINFHSA-N -1 1 347.375 2.151 20 0 EEADMM C[C@@H]1Cc2cnccc2N1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576386528 1403571139 /nfs/dbraw/zinc/57/11/39/1403571139.db2.gz AHAHBSUHCAOMBG-MRVPVSSYSA-N -1 1 342.309 2.131 20 0 EEADMM C[C@@H]1Cc2cnccc2N1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576386528 1403571142 /nfs/dbraw/zinc/57/11/42/1403571142.db2.gz AHAHBSUHCAOMBG-MRVPVSSYSA-N -1 1 342.309 2.131 20 0 EEADMM CCC1(CC)CCN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CC1 ZINC001577110509 1403623985 /nfs/dbraw/zinc/62/39/85/1403623985.db2.gz NIJJAKWPBZJORY-UHFFFAOYSA-N -1 1 344.419 2.318 20 0 EEADMM CCCC[C@H](CNc1snc(C)c1-c1nn[n-]n1)NC(=O)C1CC1 ZINC001577487594 1403656182 /nfs/dbraw/zinc/65/61/82/1403656182.db2.gz AMLUORQSMQENGY-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM C[S@@](=O)(=NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001580152803 1403836885 /nfs/dbraw/zinc/83/68/85/1403836885.db2.gz PPDWYJWRMWTFNL-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@@](=O)(=NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001580152803 1403836888 /nfs/dbraw/zinc/83/68/88/1403836888.db2.gz PPDWYJWRMWTFNL-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590751292 1403893426 /nfs/dbraw/zinc/89/34/26/1403893426.db2.gz HNRHQQHPWVARGA-RXMQYKEDSA-N -1 1 333.826 2.410 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591651876 1403935399 /nfs/dbraw/zinc/93/53/99/1403935399.db2.gz SBNSAHZTFXATQH-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591651876 1403935413 /nfs/dbraw/zinc/93/54/13/1403935413.db2.gz SBNSAHZTFXATQH-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM CSCc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001591700596 1403941405 /nfs/dbraw/zinc/94/14/05/1403941405.db2.gz QFCYULGOAQYVBR-UHFFFAOYSA-N -1 1 340.412 2.306 20 0 EEADMM CSCc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001591700596 1403941411 /nfs/dbraw/zinc/94/14/11/1403941411.db2.gz QFCYULGOAQYVBR-UHFFFAOYSA-N -1 1 340.412 2.306 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1ccccc1 ZINC001591788939 1403951771 /nfs/dbraw/zinc/95/17/71/1403951771.db2.gz JOVGMZYZGQLBRZ-UHFFFAOYSA-N -1 1 339.355 2.122 20 0 EEADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001591846297 1403962073 /nfs/dbraw/zinc/96/20/73/1403962073.db2.gz IOFBTZLFRNHTFY-ZUZCIYMTSA-N -1 1 329.404 2.169 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC001591892941 1403969220 /nfs/dbraw/zinc/96/92/20/1403969220.db2.gz URIVBJMQKHOUQK-KCJUWKMLSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC001591892941 1403969227 /nfs/dbraw/zinc/96/92/27/1403969227.db2.gz URIVBJMQKHOUQK-KCJUWKMLSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC001591889661 1403970899 /nfs/dbraw/zinc/97/08/99/1403970899.db2.gz YBZTYBPOQRPMEY-KBPBESRZSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC001591889661 1403970905 /nfs/dbraw/zinc/97/09/05/1403970905.db2.gz YBZTYBPOQRPMEY-KBPBESRZSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cccc2c1OCC[C@H]2OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592246270 1404013920 /nfs/dbraw/zinc/01/39/20/1404013920.db2.gz RFBXXJISZLVWQV-GFCCVEGCSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1cccc2c1OCC[C@H]2OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592246270 1404013930 /nfs/dbraw/zinc/01/39/30/1404013930.db2.gz RFBXXJISZLVWQV-GFCCVEGCSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592246718 1404014494 /nfs/dbraw/zinc/01/44/94/1404014494.db2.gz YCBXHMFWEOEZOU-AWEZNQCLSA-N -1 1 337.339 2.251 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592246718 1404014500 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EEADMM Cc1nsc(NC(=O)Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001606149620 1404768974 /nfs/dbraw/zinc/76/89/74/1404768974.db2.gz WYRZXNVJPHDLGW-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Cc1nsc(NC(=O)Cc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606149620 1404768977 /nfs/dbraw/zinc/76/89/77/1404768977.db2.gz WYRZXNVJPHDLGW-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Fc1cc(Cn2cc(-c3nn[n-]n3)nn2)ccc1Oc1ccccc1 ZINC001606310988 1404787168 /nfs/dbraw/zinc/78/71/68/1404787168.db2.gz DURUTLLKANIZRT-UHFFFAOYSA-N -1 1 337.318 2.438 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C1C[C@@H](C)O[C@H](C)C1 ZINC001645645700 1404835211 /nfs/dbraw/zinc/83/52/11/1404835211.db2.gz VZKLDHRDEHBCGH-RKDXNWHRSA-N -1 1 335.372 2.208 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@]1(C)CCO[C@H]1C1CC1 ZINC001645669613 1404838628 /nfs/dbraw/zinc/83/86/28/1404838628.db2.gz CRXQPOBSHPBQFK-GJZGRUSLSA-N -1 1 347.383 2.209 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)n1 ZINC000268009115 1405839386 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/nfs/dbraw/zinc/23/84/26/787238426.db2.gz XWZYRRFNALYFRG-HNNXBMFYSA-N -1 1 345.443 2.412 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)C[C@@H](C)CC(=O)[O-])N1CCCC1 ZINC000911104587 787245105 /nfs/dbraw/zinc/24/51/05/787245105.db2.gz XVFIEQOPHHSKNR-GDBMZVCRSA-N -1 1 348.443 2.449 20 0 EEADMM O=C([O-])C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(F)(F)F ZINC000911161153 787279953 /nfs/dbraw/zinc/27/99/53/787279953.db2.gz KXNAWYHOADCGMT-NEPJUHHUSA-N -1 1 336.354 2.305 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000911195604 787322135 /nfs/dbraw/zinc/32/21/35/787322135.db2.gz YIGPBQCLJJZWEQ-AWEZNQCLSA-N -1 1 348.374 2.387 20 0 EEADMM CCN(CC)[C@H](CNC(=O)c1ccc(C(=O)[O-])c(C)n1)c1ccco1 ZINC000911251943 787334674 /nfs/dbraw/zinc/33/46/74/787334674.db2.gz APYFJFVQCOXJSQ-OAHLLOKOSA-N -1 1 345.399 2.494 20 0 EEADMM C[C@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])C=CCC1 ZINC001062150667 787487204 /nfs/dbraw/zinc/48/72/04/787487204.db2.gz QCUBOXYPOIAXPP-KUHUBIRLSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000911663757 787607684 /nfs/dbraw/zinc/60/76/84/787607684.db2.gz HWLJOVQUOYKFKK-SQNIBIBYSA-N -1 1 344.455 2.483 20 0 EEADMM CCn1cc(CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C(C)C)cn1 ZINC000911898173 787803150 /nfs/dbraw/zinc/80/31/50/787803150.db2.gz RMXRASCDXFZIGY-UHFFFAOYSA-N -1 1 329.404 2.327 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)c1nn[n-]n1 ZINC000912859855 788417293 /nfs/dbraw/zinc/41/72/93/788417293.db2.gz GOWQGLLEZFNQBU-ZDUSSCGKSA-N -1 1 336.465 2.423 20 0 EEADMM CSCC[C@H](NC(=O)CC(C)(C)c1ccccc1)c1nn[n-]n1 ZINC000912860141 788418609 /nfs/dbraw/zinc/41/86/09/788418609.db2.gz IIQMTXGKWOJZRA-ZDUSSCGKSA-N -1 1 333.461 2.478 20 0 EEADMM CSCC[C@H](NC(=O)CCCOc1ccccc1C)c1nn[n-]n1 ZINC000912860277 788419268 /nfs/dbraw/zinc/41/92/68/788419268.db2.gz QRFVLSMNXSRIAL-ZDUSSCGKSA-N -1 1 349.460 2.278 20 0 EEADMM COc1cccc(C(C)=CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912861237 788423023 /nfs/dbraw/zinc/42/30/23/788423023.db2.gz 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EEADMM O=C([O-])CC[C@H]1CCCN(CCS(=O)(=O)Cc2ccccc2)C1 ZINC000846281035 790113107 /nfs/dbraw/zinc/11/31/07/790113107.db2.gz JNPFVLIBTVIFNZ-OAHLLOKOSA-N -1 1 339.457 2.178 20 0 EEADMM O=C(NC[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])c1ccco1 ZINC000946384537 791457374 /nfs/dbraw/zinc/45/73/74/791457374.db2.gz ZJBGTFXKYWABOG-QWHCGFSZSA-N -1 1 343.383 2.099 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1cncc(Cl)n1 ZINC001063737981 791627699 /nfs/dbraw/zinc/62/76/99/791627699.db2.gz YPJMBXZVYLHHKR-QWRGUYRKSA-N -1 1 347.806 2.193 20 0 EEADMM COC(=O)c1onc(C)c1[N-]C(=O)c1cnccc1C(F)(F)F ZINC001147263528 791776352 /nfs/dbraw/zinc/77/63/52/791776352.db2.gz HNWBLWCGNMEXEP-UHFFFAOYSA-N -1 1 329.234 2.436 20 0 EEADMM O=C(CC1=CCCCC1)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992048877 792472116 /nfs/dbraw/zinc/47/21/16/792472116.db2.gz LYPJJTXXJNMLFD-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM O=S(=O)([N-]CC1CC2(C1)OCCO2)c1cc2cc(F)ccc2o1 ZINC000921659489 792784405 /nfs/dbraw/zinc/78/44/05/792784405.db2.gz 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794200861 /nfs/dbraw/zinc/20/08/61/794200861.db2.gz LSROQNAIPMQORC-UHFFFAOYSA-N -1 1 336.399 2.087 20 0 EEADMM O=C(c1cc(-c2ccccc2)ns1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742968 794203944 /nfs/dbraw/zinc/20/39/44/794203944.db2.gz VJQKQZPNOWTGRL-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM CCOc1ccc2cc(C(=O)N3CCC(c4nn[n-]n4)CC3)[nH]c2c1 ZINC000913743338 794204815 /nfs/dbraw/zinc/20/48/15/794204815.db2.gz QPSOEFZXXCVDRF-UHFFFAOYSA-N -1 1 340.387 2.100 20 0 EEADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C1CCCCCCC1 ZINC001092810851 794333463 /nfs/dbraw/zinc/33/34/63/794333463.db2.gz IGSRQPPHMQDWSG-UKRRQHHQSA-N -1 1 349.479 2.055 20 0 EEADMM O=C(CC1=CCCCC1)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946533104 795534131 /nfs/dbraw/zinc/53/41/31/795534131.db2.gz MFNKBOPXYBHBIG-UHFFFAOYSA-N -1 1 343.427 2.399 20 0 EEADMM CCN(C(=O)[C@]1(C)CCC[C@@H]1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080480675 796071432 /nfs/dbraw/zinc/07/14/32/796071432.db2.gz YMSKGSPNOBPPHY-ORAYPTAESA-N -1 1 345.443 2.286 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1 ZINC000781115990 796255427 /nfs/dbraw/zinc/25/54/27/796255427.db2.gz XEPCKMDZZOUQRJ-UHFFFAOYSA-N -1 1 348.380 2.483 20 0 EEADMM CC1(C)CCC(CC(=O)N2CCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001001084565 796540806 /nfs/dbraw/zinc/54/08/06/796540806.db2.gz FARNBEDGKWMABW-AWEZNQCLSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001078603489 796715776 /nfs/dbraw/zinc/71/57/76/796715776.db2.gz SSNVHQSMEOALIF-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(CN2CC(O)C2)cc1 ZINC001212667236 797002254 /nfs/dbraw/zinc/00/22/54/797002254.db2.gz IEYIVZQTRZJCME-UHFFFAOYSA-N -1 1 338.363 2.419 20 0 EEADMM O=C(CCC1CCC1)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022990 797082275 /nfs/dbraw/zinc/08/22/75/797082275.db2.gz VPIWCFCGTPOHER-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM Nc1cccc(S(=O)(=O)[N-]c2ccc(Cn3ccnc3)cc2)c1 ZINC001212697478 797198831 /nfs/dbraw/zinc/19/88/31/797198831.db2.gz AAHDWFAVSWSMEJ-UHFFFAOYSA-N -1 1 328.397 2.314 20 0 EEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1)C1CCC1 ZINC001095085958 797330760 /nfs/dbraw/zinc/33/07/60/797330760.db2.gz JFBJWPZPBJQCLV-PMPSAXMXSA-N -1 1 342.443 2.081 20 0 EEADMM CC(=O)NCc1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001174369637 797750142 /nfs/dbraw/zinc/75/01/42/797750142.db2.gz VEQVFDLBEIVHIV-UHFFFAOYSA-N -1 1 334.397 2.175 20 0 EEADMM COC(=O)c1nsnc1[N-]c1cnn(Cc2ccc(OC)cc2)c1 ZINC001174436051 797761090 /nfs/dbraw/zinc/76/10/90/797761090.db2.gz FNZQNWAJRIKLPZ-UHFFFAOYSA-N -1 1 345.384 2.322 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(NC2=CCC3(CC2)OCCO3)c1 ZINC001174640677 797815445 /nfs/dbraw/zinc/81/54/45/797815445.db2.gz XHPKOTCOZIXZCJ-UHFFFAOYSA-N -1 1 339.413 2.409 20 0 EEADMM CN1CCN(c2ncccc2Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001175154751 798001094 /nfs/dbraw/zinc/00/10/94/798001094.db2.gz RYNLLJRGWMQIBL-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1cc(N)ccc1N ZINC001175226461 798039221 /nfs/dbraw/zinc/03/92/21/798039221.db2.gz IEJPBCWAPURGMZ-UHFFFAOYSA-N -1 1 325.365 2.190 20 0 EEADMM Cn1ncc2cccc(Nc3cc(S(=O)(=O)C(N)=O)ccc3[O-])c21 ZINC001175448845 798126023 /nfs/dbraw/zinc/12/60/23/798126023.db2.gz WGMHODFIUGLLOY-UHFFFAOYSA-N -1 1 346.368 2.289 20 0 EEADMM Cc1nc(CN2CCC(NC(=O)c3ncccc3[O-])CC2)sc1C ZINC001002659068 798396950 /nfs/dbraw/zinc/39/69/50/798396950.db2.gz IUANURYBBISLGA-UHFFFAOYSA-N -1 1 346.456 2.255 20 0 EEADMM O=C(NC1CCN(Cc2cc(C3CC3)no2)CC1)c1ncccc1[O-] ZINC001002664283 798415887 /nfs/dbraw/zinc/41/58/87/798415887.db2.gz KWPWEDACBUBNLO-UHFFFAOYSA-N -1 1 342.399 2.047 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2nc3ccccc3o2)C1 ZINC001065245370 798804632 /nfs/dbraw/zinc/80/46/32/798804632.db2.gz SETYPXBKMCJFJX-GOSISDBHSA-N -1 1 338.367 2.327 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2cnc3ccccc3n2)C1 ZINC001065245040 798818746 /nfs/dbraw/zinc/81/87/46/798818746.db2.gz KBQJXVNAIKFBSP-LJQANCHMSA-N -1 1 349.394 2.129 20 0 EEADMM Cc1[nH]nc2cc(NC(=O)c3ccn(C)c3CC(=O)[O-])cc(F)c12 ZINC001177367663 798884161 /nfs/dbraw/zinc/88/41/61/798884161.db2.gz RSFYYMPCFSJFJN-UHFFFAOYSA-N -1 1 330.319 2.228 20 0 EEADMM CCc1cnc(CNCCCCCCNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001178209885 799341092 /nfs/dbraw/zinc/34/10/92/799341092.db2.gz LCOSOYDUELSTOB-UHFFFAOYSA-N -1 1 349.435 2.054 20 0 EEADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)NCC(=O)c1ccccc1 ZINC000786303162 806743959 /nfs/dbraw/zinc/74/39/59/806743959.db2.gz IBUINUVDPKWTEW-LLVKDONJSA-N -1 1 345.326 2.076 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1cccc(F)n1 ZINC001065838781 799617670 /nfs/dbraw/zinc/61/76/70/799617670.db2.gz KMSHFNMMSRSDCS-NEPJUHHUSA-N -1 1 330.363 2.142 20 0 EEADMM CCCCC[C@@H](C)CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001179667204 800048391 /nfs/dbraw/zinc/04/83/91/800048391.db2.gz VKMXBRADIKRIJM-RDBSUJKOSA-N -1 1 337.468 2.196 20 0 EEADMM CN(C[C@@H]1CCN1CC=C(Cl)Cl)C(=O)c1ncccc1[O-] ZINC001085561142 800766468 /nfs/dbraw/zinc/76/64/68/800766468.db2.gz DHUNQNHVWFCCFZ-JTQLQIEISA-N -1 1 330.215 2.253 20 0 EEADMM CSc1nc(NC(=O)[C@@H](C)Cc2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC001182403061 801154020 /nfs/dbraw/zinc/15/40/20/801154020.db2.gz BOIODGYWUUPURF-VIFPVBQESA-N -1 1 347.396 2.450 20 0 EEADMM CCOC(=O)[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)[C@@H](C)CC ZINC001183197273 801508810 /nfs/dbraw/zinc/50/88/10/801508810.db2.gz HCXVXBKZSMIBSD-JGVFFNPUSA-N -1 1 335.269 2.252 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2cc(C)sn2)c1 ZINC000820889452 801802446 /nfs/dbraw/zinc/80/24/46/801802446.db2.gz JOXKSFJKBSVNNB-NRFANRHFSA-N -1 1 325.411 2.311 20 0 EEADMM CS(=O)(=O)c1cc(F)c([N-]C(=O)c2cnc(C3CC3)o2)cc1F ZINC001185222978 802404205 /nfs/dbraw/zinc/40/42/05/802404205.db2.gz AELBWWJIHJOURZ-UHFFFAOYSA-N -1 1 342.323 2.486 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ncnc2ccccc21 ZINC001112984337 807764563 /nfs/dbraw/zinc/76/45/63/807764563.db2.gz UYAQGCHBMMDGKT-VXGBXAGGSA-N -1 1 337.383 2.349 20 0 EEADMM CC(C)c1cc(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])ncn1 ZINC001112984882 807765297 /nfs/dbraw/zinc/76/52/97/807765297.db2.gz ZDBIHRCMFIFPTF-VXGBXAGGSA-N -1 1 329.404 2.320 20 0 EEADMM CONC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000790938081 808992992 /nfs/dbraw/zinc/99/29/92/808992992.db2.gz NBTYJOBJVAGJGW-UHFFFAOYSA-N -1 1 338.360 2.226 20 0 EEADMM CN(CCOc1ccc(F)cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791091878 809067685 /nfs/dbraw/zinc/06/76/85/809067685.db2.gz YHSAUAIYWBKCFF-UHFFFAOYSA-N -1 1 343.362 2.024 20 0 EEADMM C[C@H](Oc1ccccc1Cl)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791167790 809099926 /nfs/dbraw/zinc/09/99/26/809099926.db2.gz KCKZHJMHHJHWBR-JTQLQIEISA-N -1 1 330.775 2.401 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1nc(C2CCC2)ns1 ZINC001113575346 809273711 /nfs/dbraw/zinc/27/37/11/809273711.db2.gz SXUKZPSAPJKPDZ-JTQLQIEISA-N -1 1 347.444 2.161 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)O)c2)cc1 ZINC000792203182 809652116 /nfs/dbraw/zinc/65/21/16/809652116.db2.gz OCSGPTMLSCRGRZ-ZDUSSCGKSA-N -1 1 349.408 2.333 20 0 EEADMM CNC(=O)c1ccc2cc(Nc3[n-]c(=O)nc4nc[nH]c43)ccc2c1 ZINC001170233242 809832911 /nfs/dbraw/zinc/83/29/11/809832911.db2.gz MCRYPHPZVUYLHY-UHFFFAOYSA-N -1 1 334.339 2.315 20 0 EEADMM O=C(NCC1(Nc2cnc3ccccc3n2)CC1)c1ncccc1[O-] ZINC001110097824 809873124 /nfs/dbraw/zinc/87/31/24/809873124.db2.gz HGXNXMVJOJBSSF-UHFFFAOYSA-N -1 1 335.367 2.105 20 0 EEADMM COCc1ncsc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000792743697 809975853 /nfs/dbraw/zinc/97/58/53/809975853.db2.gz GTDDMIXIHQKBGE-UHFFFAOYSA-N -1 1 347.348 2.459 20 0 EEADMM Cc1ccnc(N[C@H](CCN(C)C(=O)c2ncccc2[O-])C(C)C)n1 ZINC001114090118 810325331 /nfs/dbraw/zinc/32/53/31/810325331.db2.gz YNCQUSDAUZMXEQ-CQSZACIVSA-N -1 1 343.431 2.484 20 0 EEADMM C[C@H]1CCCN1CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805072008 811132951 /nfs/dbraw/zinc/13/29/51/811132951.db2.gz AXBSHFDJWCJQSD-VIFPVBQESA-N -1 1 338.807 2.381 20 0 EEADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](C)S1(=O)=O ZINC000805400455 811251520 /nfs/dbraw/zinc/25/15/20/811251520.db2.gz UYIKUTJMBWVFQJ-ZJUUUORDSA-N -1 1 331.821 2.083 20 0 EEADMM COc1ccncc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000805542982 811341621 /nfs/dbraw/zinc/34/16/21/811341621.db2.gz WASFHAUOOQMMLS-UHFFFAOYSA-N -1 1 343.314 2.478 20 0 EEADMM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cn[n-]n1 ZINC000805603293 811363767 /nfs/dbraw/zinc/36/37/67/811363767.db2.gz KVBHRLVSOPFHGU-LLVKDONJSA-N -1 1 341.154 2.074 20 0 EEADMM COc1ccc(-c2nc(COC(=O)c3cn[n-]n3)cs2)c(OC)c1 ZINC000805605428 811371751 /nfs/dbraw/zinc/37/17/51/811371751.db2.gz MMRVSPWRNQQXPK-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM O=C(COC(=O)c1ccccc1OC1CC1)[N-]C(=O)c1ccccc1 ZINC000805726067 811505161 /nfs/dbraw/zinc/50/51/61/811505161.db2.gz SZNVECNZZXMREO-UHFFFAOYSA-N -1 1 339.347 2.341 20 0 EEADMM Cc1ocnc1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806020031 811710231 /nfs/dbraw/zinc/71/02/31/811710231.db2.gz JQEMKMXIBDJKOH-UHFFFAOYSA-N -1 1 340.339 2.249 20 0 EEADMM CC[C@H](C)n1ncc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C ZINC000806489713 811878514 /nfs/dbraw/zinc/87/85/14/811878514.db2.gz AYJABOYANLTMJJ-JTQLQIEISA-N -1 1 327.392 2.462 20 0 EEADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1ccc(F)cc1 ZINC000806489521 811879454 /nfs/dbraw/zinc/87/94/54/811879454.db2.gz USDWXWGMJVWXNJ-NSHDSACASA-N -1 1 343.362 2.070 20 0 EEADMM CC(C)Oc1cccc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806493295 811882534 /nfs/dbraw/zinc/88/25/34/811882534.db2.gz WKOFYUJYDHCWKA-UHFFFAOYSA-N -1 1 339.399 2.451 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)no1 ZINC000806487230 811896678 /nfs/dbraw/zinc/89/66/78/811896678.db2.gz VAEWUTOJHNDASP-CQSZACIVSA-N -1 1 326.360 2.007 20 0 EEADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](O)c1ccccc1 ZINC000807443140 812241599 /nfs/dbraw/zinc/24/15/99/812241599.db2.gz BEDCTOXOBFLDKQ-SJORKVTESA-N -1 1 327.380 2.449 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)[C@H](O)c1ccccc1 ZINC000808339337 812604961 /nfs/dbraw/zinc/60/49/61/812604961.db2.gz RWISQHAUKLNKOM-BONVTDFDSA-N -1 1 327.352 2.365 20 0 EEADMM O=C(COC(=O)C1(C(F)F)CCCC1)[N-]C(=O)c1ccccc1 ZINC000808647503 812763135 /nfs/dbraw/zinc/76/31/35/812763135.db2.gz CYUGHIKDJGHCHB-UHFFFAOYSA-N -1 1 325.311 2.312 20 0 EEADMM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1[nH]nc2c1cccc2OC ZINC000808673435 812805961 /nfs/dbraw/zinc/80/59/61/812805961.db2.gz CWZAZFATMGPIKK-QWRGUYRKSA-N -1 1 333.388 2.422 20 0 EEADMM CCO[C@@H]1C[C@](NC(=O)c2cc(F)cc3nc[nH]c32)(C(=O)[O-])C1(C)C ZINC000193049060 939041250 /nfs/dbraw/zinc/04/12/50/939041250.db2.gz BOPSWSNNLJDOLY-PXAZEXFGSA-N -1 1 349.362 2.090 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c(F)c1 ZINC001611057908 970872334 /nfs/dbraw/zinc/87/23/34/970872334.db2.gz VNZNWYBQGCFJOJ-UHFFFAOYSA-N -1 1 339.344 2.262 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001601659325 971039034 /nfs/dbraw/zinc/03/90/34/971039034.db2.gz GAJYVBSWHCRQMP-SJORKVTESA-N -1 1 330.428 2.206 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H]2CCCC[C@H]2C)c1-c1nnn[n-]1 ZINC000826347213 948050268 /nfs/dbraw/zinc/05/02/68/948050268.db2.gz ITSXHIXRXFNAQL-ZYHUDNBSSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H]2CCCC[C@H]2C)c1-c1nn[n-]n1 ZINC000826347213 948050277 /nfs/dbraw/zinc/05/02/77/948050277.db2.gz ITSXHIXRXFNAQL-ZYHUDNBSSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCCCCC2CCCC2)c1-c1nnn[n-]1 ZINC000826347202 948051801 /nfs/dbraw/zinc/05/18/01/948051801.db2.gz IKDTVDIFYUTRLT-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM Cc1onc(CC(=O)NCCCCC2CCCC2)c1-c1nn[n-]n1 ZINC000826347202 948051808 /nfs/dbraw/zinc/05/18/08/948051808.db2.gz IKDTVDIFYUTRLT-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826429154 948278738 /nfs/dbraw/zinc/27/87/38/948278738.db2.gz VOLKCCZCXXGWRZ-OASPWFOLSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826429154 948278749 /nfs/dbraw/zinc/27/87/49/948278749.db2.gz VOLKCCZCXXGWRZ-OASPWFOLSA-N -1 1 345.428 2.006 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001570931154 948837076 /nfs/dbraw/zinc/83/70/76/948837076.db2.gz SMWFETALXBMMPQ-UHFFFAOYSA-N -1 1 332.389 2.278 20 0 EEADMM CC(C)[C@@H]1CCc2ccccc2[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574099196 949175889 /nfs/dbraw/zinc/17/58/89/949175889.db2.gz JJLXMSFSQQIQIQ-XJKSGUPXSA-N -1 1 335.415 2.450 20 0 EEADMM CC(C)c1oncc1[N-]C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574451165 949218492 /nfs/dbraw/zinc/21/84/92/949218492.db2.gz FNTBCBZBOJREMR-UHFFFAOYSA-N -1 1 333.739 2.279 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H](CF)c1ccc(F)cc1 ZINC001570944571 949426808 /nfs/dbraw/zinc/42/68/08/949426808.db2.gz UOOGEVXVIPBCPQ-GFCCVEGCSA-N -1 1 345.313 2.233 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H](CF)c1ccc(F)cc1 ZINC001570944571 949426815 /nfs/dbraw/zinc/42/68/15/949426815.db2.gz UOOGEVXVIPBCPQ-GFCCVEGCSA-N -1 1 345.313 2.233 20 0 EEADMM O=C([O-])[C@H]1CCN(C(=O)CCCCc2cn[nH]n2)c2ccccc21 ZINC001594919323 954795926 /nfs/dbraw/zinc/79/59/26/954795926.db2.gz RLSXHQGXEICYIF-AWEZNQCLSA-N -1 1 328.372 2.123 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001589458406 954849553 /nfs/dbraw/zinc/84/95/53/954849553.db2.gz AKENOLPDEQMSLW-IAOVAPTHSA-N -1 1 345.443 2.425 20 0 EEADMM CC[C@@H](C)c1ccc(NC(=O)CNC2(C(=O)[O-])CCOCC2)cc1 ZINC001589464439 954889354 /nfs/dbraw/zinc/88/93/54/954889354.db2.gz PUXLIZBTAADFKX-CYBMUJFWSA-N -1 1 334.416 2.362 20 0 EEADMM O=C([O-])C1CCC(NC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000716315633 955130745 /nfs/dbraw/zinc/13/07/45/955130745.db2.gz MPUSOXGVQIDKFC-OFLPRAFFSA-N -1 1 345.443 2.204 20 0 EEADMM CCc1cc(CNC(=O)N2c3ccccc3C[C@H](C)[C@H]2C(=O)[O-])n[nH]1 ZINC001552981312 1125464992 /nfs/dbraw/zinc/46/49/92/1125464992.db2.gz TXSGIAYDOBMWPC-ZBEGNZNMSA-N -1 1 342.399 2.334 20 0 EEADMM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000874036424 956098962 /nfs/dbraw/zinc/09/89/62/956098962.db2.gz HMCMQYQPEKSZFF-DLBZAZTESA-N 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ZINC000438921827 242062973 /nfs/dbraw/zinc/06/29/73/242062973.db2.gz WREKYVJEFLLDCV-SNVBAGLBSA-N -1 1 335.306 2.437 20 0 EEADMM Cc1cnc([C@@H](C)S(=O)(=O)c2nnc(Cc3cccs3)[n-]2)o1 ZINC000447492403 242280617 /nfs/dbraw/zinc/28/06/17/242280617.db2.gz RRMCVHHBLWVOCR-SECBINFHSA-N -1 1 338.414 2.288 20 0 EEADMM Cc1cnc([C@@H](C)S(=O)(=O)c2n[n-]c(Cc3cccs3)n2)o1 ZINC000447492403 242280623 /nfs/dbraw/zinc/28/06/23/242280623.db2.gz RRMCVHHBLWVOCR-SECBINFHSA-N -1 1 338.414 2.288 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1)Cn1cccn1 ZINC000451063958 242988509 /nfs/dbraw/zinc/98/85/09/242988509.db2.gz NMHIHSPVUMLESX-NSHDSACASA-N -1 1 337.376 2.383 20 0 EEADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451336158 243082097 /nfs/dbraw/zinc/08/20/97/243082097.db2.gz DYFZJKSCQMJULG-SECBINFHSA-N -1 1 349.861 2.230 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)ccc1C ZINC000080716143 217327330 /nfs/dbraw/zinc/32/73/30/217327330.db2.gz UZQAZWPQZORTKY-UHFFFAOYSA-N -1 1 345.380 2.459 20 0 EEADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000080937936 217342987 /nfs/dbraw/zinc/34/29/87/217342987.db2.gz IATDJWKPCIKRCB-UHFFFAOYSA-N -1 1 339.438 2.453 20 0 EEADMM CSCC[C@@H](NC(=O)c1cncc([O-])c1)c1nnc2ccccn21 ZINC000111549930 220165456 /nfs/dbraw/zinc/16/54/56/220165456.db2.gz PMCPYGPUHWMNQV-CYBMUJFWSA-N -1 1 343.412 2.054 20 0 EEADMM CCn1c(CNC(=O)C[C@@H](O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000091442050 218006921 /nfs/dbraw/zinc/00/69/21/218006921.db2.gz KYGBISPMCHUSLL-LLVKDONJSA-N -1 1 340.836 2.354 20 0 EEADMM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094034370 218261761 /nfs/dbraw/zinc/26/17/61/218261761.db2.gz UUDRNXJERKYKJE-AWEZNQCLSA-N -1 1 332.331 2.045 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000095416575 218355961 /nfs/dbraw/zinc/35/59/61/218355961.db2.gz MKEXGJDNLWJVNW-CYBMUJFWSA-N -1 1 349.818 2.319 20 0 EEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000155008006 255782442 /nfs/dbraw/zinc/78/24/42/255782442.db2.gz BFGGJNWXWZOEEF-UHFFFAOYSA-N -1 1 334.372 2.454 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)o1 ZINC000025015588 255747099 /nfs/dbraw/zinc/74/70/99/255747099.db2.gz PGDFFTXILHGJNF-SECBINFHSA-N -1 1 342.442 2.357 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000268121899 256115470 /nfs/dbraw/zinc/11/54/70/256115470.db2.gz LTKVBYYUIQMWGP-GASCZTMLSA-N -1 1 338.411 2.354 20 0 EEADMM CC(C)n1nnnc1-c1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000272976285 256253777 /nfs/dbraw/zinc/25/37/77/256253777.db2.gz XBCRRLLPLCPWFB-UHFFFAOYSA-N -1 1 335.433 2.463 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H]1C ZINC000131420650 533628045 /nfs/dbraw/zinc/62/80/45/533628045.db2.gz KOVHDLBFYAXJHJ-NWDGAFQWSA-N -1 1 342.461 2.475 20 0 EEADMM COc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000159884982 143803662 /nfs/dbraw/zinc/80/36/62/143803662.db2.gz BNZBRBHLTOWQKJ-UHFFFAOYSA-N -1 1 331.346 2.395 20 0 EEADMM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=CC(=O)Nc1nnn[n-]1 ZINC000118685565 292238797 /nfs/dbraw/zinc/23/87/97/292238797.db2.gz DXDASLIOQWXICC-CMDGGOBGSA-N -1 1 337.387 2.022 20 0 EEADMM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=CC(=O)Nc1nn[n-]n1 ZINC000118685565 292238798 /nfs/dbraw/zinc/23/87/98/292238798.db2.gz DXDASLIOQWXICC-CMDGGOBGSA-N -1 1 337.387 2.022 20 0 EEADMM O=C([N-]c1nncs1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000172711557 152111706 /nfs/dbraw/zinc/11/17/06/152111706.db2.gz JLVHTMNODKRTHG-UHFFFAOYSA-N -1 1 330.325 2.217 20 0 EEADMM COc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(OCC(C)C)c1 ZINC000191022216 152235296 /nfs/dbraw/zinc/23/52/96/152235296.db2.gz XWRNTJDFHRPFKS-LBPRGKRZSA-N -1 1 347.419 2.119 20 0 EEADMM CCOC(=O)CC(C)(C)CC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000357724722 153307816 /nfs/dbraw/zinc/30/78/16/153307816.db2.gz VNQPSZROOQDUSN-UHFFFAOYSA-N -1 1 337.372 2.487 20 0 EEADMM COCCc1nc(=N[C@H]2CCN([C@H](C)c3ccccc3)C2)s[n-]1 ZINC000359486654 153393644 /nfs/dbraw/zinc/39/36/44/153393644.db2.gz JEJHCRBOFUJFAB-HIFRSBDPSA-N -1 1 332.473 2.396 20 0 EEADMM COC(=O)c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000128725552 292346861 /nfs/dbraw/zinc/34/68/61/292346861.db2.gz BTUPGEODIPETOJ-UHFFFAOYSA-N -1 1 341.335 2.230 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000263504992 160467964 /nfs/dbraw/zinc/46/79/64/160467964.db2.gz WVISESNHAKDXJI-JTQLQIEISA-N -1 1 331.376 2.187 20 0 EEADMM COCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000322809378 160538596 /nfs/dbraw/zinc/53/85/96/160538596.db2.gz SYRYGCLNYKSVPI-UHFFFAOYSA-N -1 1 339.369 2.276 20 0 EEADMM CC(C)n1c(CNC(=O)Cc2cn3ccccc3n2)n[n-]c1=S ZINC000066640879 159001266 /nfs/dbraw/zinc/00/12/66/159001266.db2.gz SMFAKCZSYUPUJE-UHFFFAOYSA-N -1 1 330.417 2.028 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000067070647 159006203 /nfs/dbraw/zinc/00/62/03/159006203.db2.gz TWAFXLGPVWMNRC-ZDUSSCGKSA-N -1 1 343.412 2.085 20 0 EEADMM COc1ccccc1C[C@H](C)CC(=O)NCCc1n[n-]c(=S)n1C ZINC000067051006 159006990 /nfs/dbraw/zinc/00/69/90/159006990.db2.gz DIEOPMSEAPHQRR-LBPRGKRZSA-N -1 1 348.472 2.414 20 0 EEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(-c2ccco2)n[nH]1 ZINC000067079266 159007052 /nfs/dbraw/zinc/00/70/52/159007052.db2.gz SSSHOLNAEOPVJU-UHFFFAOYSA-N -1 1 344.400 2.231 20 0 EEADMM C[C@@H](c1ccccc1)N(C)C(=O)CS(=O)(=O)c1ccc([O-])cc1 ZINC000069163683 159026447 /nfs/dbraw/zinc/02/64/47/159026447.db2.gz IDKZVLMZYDAUFW-ZDUSSCGKSA-N -1 1 333.409 2.386 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccc(Cl)c1 ZINC000104012228 159281713 /nfs/dbraw/zinc/28/17/13/159281713.db2.gz CAOQUDYLMIDDAW-UHFFFAOYSA-N -1 1 344.802 2.152 20 0 EEADMM COC(=O)c1cnc(S[C@@H](C)c2nnnn2-c2ccccc2)[n-]1 ZINC000187586782 160105113 /nfs/dbraw/zinc/10/51/13/160105113.db2.gz NXBLXIQIWYGZHW-VIFPVBQESA-N -1 1 330.373 2.025 20 0 EEADMM COC(=O)c1c[n-]c(S[C@@H](C)c2nnnn2-c2ccccc2)n1 ZINC000187586782 160105114 /nfs/dbraw/zinc/10/51/14/160105114.db2.gz NXBLXIQIWYGZHW-VIFPVBQESA-N -1 1 330.373 2.025 20 0 EEADMM Cc1ccc([C@H](C)N(C)C(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000343191080 161111645 /nfs/dbraw/zinc/11/16/45/161111645.db2.gz WVJODJSZNTVKAT-ZDUSSCGKSA-N -1 1 327.384 2.045 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2cnn(C(F)F)c2)c(=O)[n-]1 ZINC000345254951 161285864 /nfs/dbraw/zinc/28/58/64/161285864.db2.gz SUPPQJRHQMMJLX-UHFFFAOYSA-N -1 1 343.359 2.375 20 0 EEADMM Cc1cccc(OCCNC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000346719361 161395793 /nfs/dbraw/zinc/39/57/93/161395793.db2.gz YAJQBHYYYBEEQU-UHFFFAOYSA-N -1 1 347.440 2.395 20 0 EEADMM COCc1cccc(CNC(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000346750440 161398478 /nfs/dbraw/zinc/39/84/78/161398478.db2.gz YHYVJKZRZKTFPQ-UHFFFAOYSA-N -1 1 347.440 2.354 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3[nH]c(C)cc3c2)o1 ZINC000352383677 162115126 /nfs/dbraw/zinc/11/51/26/162115126.db2.gz MDCOMCWCTUHNLO-UHFFFAOYSA-N -1 1 348.380 2.334 20 0 EEADMM Cn1ncc2c1[n-]cc(C(=O)NCCc1ccc(Cl)cc1)c2=O ZINC000355699948 163273723 /nfs/dbraw/zinc/27/37/23/163273723.db2.gz HJBLYTHXESLJKR-UHFFFAOYSA-N -1 1 330.775 2.300 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)o1 ZINC000358884057 164008046 /nfs/dbraw/zinc/00/80/46/164008046.db2.gz NFVQXCKBMJRPCM-UHFFFAOYSA-N -1 1 349.408 2.150 20 0 EEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000359030910 164041666 /nfs/dbraw/zinc/04/16/66/164041666.db2.gz OXKPPEADIHICBD-UHFFFAOYSA-N -1 1 333.394 2.196 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(CC(C)C)CC2)c1 ZINC000359687329 164152904 /nfs/dbraw/zinc/15/29/04/164152904.db2.gz XAGQPHKATNDCLK-UHFFFAOYSA-N -1 1 326.418 2.065 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(C)c2C)c1 ZINC000359701226 164155965 /nfs/dbraw/zinc/15/59/65/164155965.db2.gz SVZWHPCLKJAIKB-UHFFFAOYSA-N -1 1 340.426 2.231 20 0 EEADMM CC(C)(NC(=O)CCCc1nc2ccccc2s1)c1nn[n-]n1 ZINC000359787809 164171299 /nfs/dbraw/zinc/17/12/99/164171299.db2.gz MVYJHNVZVSDLKO-UHFFFAOYSA-N -1 1 330.417 2.184 20 0 EEADMM O=C([O-])[C@H]1CCCN(Cc2cc3c(cc2Br)OCO3)C1 ZINC000164562797 226083125 /nfs/dbraw/zinc/08/31/25/226083125.db2.gz NRAZCIFYGZRHGZ-VIFPVBQESA-N -1 1 342.189 2.474 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)c2ccco2)C2CC2)co1 ZINC000122254020 222046274 /nfs/dbraw/zinc/04/62/74/222046274.db2.gz OJCFSADTRPVDJG-SNVBAGLBSA-N -1 1 338.385 2.147 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1sccc1OC)c1ccc(C)o1 ZINC000122860920 222173293 /nfs/dbraw/zinc/17/32/93/222173293.db2.gz UPMVSZFWHITBAE-JTQLQIEISA-N -1 1 331.415 2.324 20 0 EEADMM C[C@@H](CN(C)C(=O)Cc1csc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000274810692 269056084 /nfs/dbraw/zinc/05/60/84/269056084.db2.gz VLPXXWUQVZWOMT-NSHDSACASA-N -1 1 342.428 2.128 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC2(CCOCC2)O1 ZINC000279087137 269261261 /nfs/dbraw/zinc/26/12/61/269261261.db2.gz AYIYJWLYUIBNDV-NSHDSACASA-N -1 1 325.792 2.456 20 0 EEADMM CC(C)CN(CC(N)=O)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000280943298 269399917 /nfs/dbraw/zinc/39/99/17/269399917.db2.gz ICHZQOFSSWFKLZ-UHFFFAOYSA-N -1 1 338.791 2.095 20 0 EEADMM CC(C)OC(=O)CCNC(=O)c1cc(Br)ccc1[O-] ZINC000048579433 273934904 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ZINC000745364885 577912754 /nfs/dbraw/zinc/91/27/54/577912754.db2.gz KWVBXARUTJQCAW-LBPRGKRZSA-N -1 1 329.327 2.429 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C(/C)C(C)(C)C)cc1 ZINC000745597619 577915802 /nfs/dbraw/zinc/91/58/02/577915802.db2.gz RCWYPGVKULSRBK-BENRWUELSA-N -1 1 333.384 2.487 20 0 EEADMM O=C(COC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[N-]C(=O)c1ccccc1 ZINC000745722284 577917639 /nfs/dbraw/zinc/91/76/39/577917639.db2.gz VZXFTAFCNYLBFJ-LAUBAEHRSA-N -1 1 349.386 2.390 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000740231177 578086530 /nfs/dbraw/zinc/08/65/30/578086530.db2.gz HKWRXXSJKCAQDM-QWHCGFSZSA-N -1 1 333.306 2.151 20 0 EEADMM CC(C)[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1nnc2ccccn21 ZINC000735736245 578165135 /nfs/dbraw/zinc/16/51/35/578165135.db2.gz XCCZGDUHVWAORJ-MRXNPFEDSA-N -1 1 348.414 2.396 20 0 EEADMM CC(C)(C)c1nc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000736298614 578193942 /nfs/dbraw/zinc/19/39/42/578193942.db2.gz DHIUTQYPPDCENV-AWEZNQCLSA-N -1 1 344.415 2.374 20 0 EEADMM CC(C)(C)c1nnc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000736298614 578193943 /nfs/dbraw/zinc/19/39/43/578193943.db2.gz DHIUTQYPPDCENV-AWEZNQCLSA-N -1 1 344.415 2.374 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000736399469 578200903 /nfs/dbraw/zinc/20/09/03/578200903.db2.gz HHEZCHBUCXDCAL-SECBINFHSA-N -1 1 348.432 2.094 20 0 EEADMM C[C@@H](CN(C)CC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000736572137 578212208 /nfs/dbraw/zinc/21/22/08/578212208.db2.gz NRQZLYHXPUEDNS-AWEZNQCLSA-N -1 1 333.432 2.268 20 0 EEADMM CC[C@@H]1CN(CCn2cccn2)CCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736944309 578230265 /nfs/dbraw/zinc/23/02/65/578230265.db2.gz RSJGCIFAMCBJML-OAHLLOKOSA-N -1 1 346.431 2.079 20 0 EEADMM CCN1CCN(C2CCN(Cc3cc(C(=O)[O-])oc3C)CC2)C1=O ZINC000737115516 578239053 /nfs/dbraw/zinc/23/90/53/578239053.db2.gz LQWSOYDQPIWOEG-UHFFFAOYSA-N -1 1 335.404 2.008 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1F ZINC000737280029 578247791 /nfs/dbraw/zinc/24/77/91/578247791.db2.gz JGNKHXUKQPPQSV-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(F)c2c1N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737345449 578251799 /nfs/dbraw/zinc/25/17/99/578251799.db2.gz RJGUBYGWHSMDND-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737345449 578251800 /nfs/dbraw/zinc/25/18/00/578251800.db2.gz RJGUBYGWHSMDND-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1nn(C[C@H]2CCCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513799 578261637 /nfs/dbraw/zinc/26/16/37/578261637.db2.gz UHIKDBGZIXBUHR-CQSZACIVSA-N -1 1 336.399 2.160 20 0 EEADMM Clc1ccccc1[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000737582828 578265608 /nfs/dbraw/zinc/26/56/08/578265608.db2.gz FZPJJSMESBKZKM-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccccc1[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000737582828 578265609 /nfs/dbraw/zinc/26/56/09/578265609.db2.gz FZPJJSMESBKZKM-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737628058 578267429 /nfs/dbraw/zinc/26/74/29/578267429.db2.gz VNJZYXVUEQEVBL-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737628058 578267430 /nfs/dbraw/zinc/26/74/30/578267430.db2.gz VNJZYXVUEQEVBL-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)o2)cc1 ZINC000737913394 578272728 /nfs/dbraw/zinc/27/27/28/578272728.db2.gz ONGYDQIRRNFMRW-CQSZACIVSA-N -1 1 343.383 2.432 20 0 EEADMM N#Cc1ccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC000321285916 597068801 /nfs/dbraw/zinc/06/88/01/597068801.db2.gz XAZJKUYGSWYBMY-NSHDSACASA-N -1 1 335.791 2.337 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000325216877 597231714 /nfs/dbraw/zinc/23/17/14/597231714.db2.gz KROFLMSWQVBWQD-CZUORRHYSA-N -1 1 331.416 2.153 20 0 EEADMM CCN(Cc1ccccc1NCc1ccc(-c2nnn[n-]2)o1)C(C)=O ZINC000821231178 607308161 /nfs/dbraw/zinc/30/81/61/607308161.db2.gz XJTNTPYIVBMNJW-UHFFFAOYSA-N -1 1 340.387 2.440 20 0 EEADMM CCN(Cc1ccccc1NCc1ccc(-c2nn[n-]n2)o1)C(C)=O ZINC000821231178 607308162 /nfs/dbraw/zinc/30/81/62/607308162.db2.gz XJTNTPYIVBMNJW-UHFFFAOYSA-N -1 1 340.387 2.440 20 0 EEADMM OC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCCCC1 ZINC000823707315 607327821 /nfs/dbraw/zinc/32/78/21/607327821.db2.gz ZGEDFWLEJUOEOA-QGZVFWFLSA-N -1 1 338.415 2.190 20 0 EEADMM OC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCCCC1 ZINC000823707315 607327822 /nfs/dbraw/zinc/32/78/22/607327822.db2.gz ZGEDFWLEJUOEOA-QGZVFWFLSA-N -1 1 338.415 2.190 20 0 EEADMM CC(C)[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000820041798 598188759 /nfs/dbraw/zinc/18/87/59/598188759.db2.gz RMDJVVGQGBKXIP-MEBBXXQBSA-N -1 1 328.359 2.183 20 0 EEADMM O=C1OCCN1Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000823551453 599413979 /nfs/dbraw/zinc/41/39/79/599413979.db2.gz RETOENFRFAOHBO-UHFFFAOYSA-N -1 1 340.343 2.024 20 0 EEADMM O=C1OCCN1Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823551453 599413981 /nfs/dbraw/zinc/41/39/81/599413981.db2.gz RETOENFRFAOHBO-UHFFFAOYSA-N -1 1 340.343 2.024 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000820586305 599571313 /nfs/dbraw/zinc/57/13/13/599571313.db2.gz VEMQVCMLPAUNNS-LYRGGWFBSA-N -1 1 336.399 2.062 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000820586305 599571315 /nfs/dbraw/zinc/57/13/15/599571315.db2.gz VEMQVCMLPAUNNS-LYRGGWFBSA-N -1 1 336.399 2.062 20 0 EEADMM COc1ccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000821787665 599685660 /nfs/dbraw/zinc/68/56/60/599685660.db2.gz XLKYTRXLBRPQHD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000821787665 599685661 /nfs/dbraw/zinc/68/56/61/599685661.db2.gz XLKYTRXLBRPQHD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N(C)Cc1ccccc1 ZINC000825983206 600952673 /nfs/dbraw/zinc/95/26/73/600952673.db2.gz SOQMOEOEUPRAGY-GDBMZVCRSA-N -1 1 330.428 2.220 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN1CCSC[C@H]1CC(=O)[O-] ZINC000320141476 601012658 /nfs/dbraw/zinc/01/26/58/601012658.db2.gz HXPVACABBVTCEJ-UKRRQHHQSA-N -1 1 336.457 2.098 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)N(C)C ZINC000832803093 601137120 /nfs/dbraw/zinc/13/71/20/601137120.db2.gz FAFNQQIYKJAZGN-QMMMGPOBSA-N -1 1 334.294 2.215 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2CCCC[C@H]2C1 ZINC000832915214 601171539 /nfs/dbraw/zinc/17/15/39/601171539.db2.gz HYYOIMOOYQDILT-ZBFHGGJFSA-N -1 1 345.443 2.190 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000833116389 601195357 /nfs/dbraw/zinc/19/53/57/601195357.db2.gz TWGDYJICLNNGNR-UHFFFAOYSA-N -1 1 327.412 2.256 20 0 EEADMM O=C([O-])c1cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)ccn1 ZINC000310576205 601243344 /nfs/dbraw/zinc/24/33/44/601243344.db2.gz IBLLDAAVHWHVQQ-INIZCTEOSA-N -1 1 339.395 2.174 20 0 EEADMM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000833335345 601361915 /nfs/dbraw/zinc/36/19/15/601361915.db2.gz SKFPTHFMPZPYPM-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM O=C([O-])C1(CNC(=O)NC[C@@H](c2ccco2)N2CCCC2)CCCC1 ZINC000833134127 601366044 /nfs/dbraw/zinc/36/60/44/601366044.db2.gz PGKRQHCDKWYZCY-AWEZNQCLSA-N -1 1 349.431 2.361 20 0 EEADMM COc1ccc2c(c1)N(Cc1ccnc(-c3nnn[n-]3)c1)C[C@@H](C)O2 ZINC000826213108 607506060 /nfs/dbraw/zinc/50/60/60/607506060.db2.gz LHIRNSYHGHRGPE-LLVKDONJSA-N -1 1 338.371 2.058 20 0 EEADMM COc1ccc2c(c1)N(Cc1ccnc(-c3nn[n-]n3)c1)C[C@@H](C)O2 ZINC000826213108 607506061 /nfs/dbraw/zinc/50/60/61/607506061.db2.gz LHIRNSYHGHRGPE-LLVKDONJSA-N -1 1 338.371 2.058 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000833175444 601446582 /nfs/dbraw/zinc/44/65/82/601446582.db2.gz QWWKEYFEMIDYJP-MAUKXSAKSA-N -1 1 333.359 2.078 20 0 EEADMM CC[C@@H]1CN(CCOc2cccc(C(=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000829143409 601449873 /nfs/dbraw/zinc/44/98/73/601449873.db2.gz ZMJPTKJZWVMFOR-DLBZAZTESA-N -1 1 348.443 2.485 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000111254921 601520711 /nfs/dbraw/zinc/52/07/11/601520711.db2.gz AYQXEEVBWPTPES-CABZTGNLSA-N -1 1 341.205 2.040 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000828437689 601532825 /nfs/dbraw/zinc/53/28/25/601532825.db2.gz AJMIZCFRWJAUOB-UWVGGRQHSA-N -1 1 330.306 2.296 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC000832923145 601656877 /nfs/dbraw/zinc/65/68/77/601656877.db2.gz JNASIUGJYOSCLX-YUELXQCFSA-N -1 1 349.431 2.087 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccn2)ccc1F ZINC000236458736 601769046 /nfs/dbraw/zinc/76/90/46/601769046.db2.gz QWZDAMDHGCTUDM-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832368261 601951352 /nfs/dbraw/zinc/95/13/52/601951352.db2.gz YKSYFUVQQLOWOU-QFYYESIMSA-N -1 1 340.807 2.472 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832970033 602030540 /nfs/dbraw/zinc/03/05/40/602030540.db2.gz SDSLYPYGVBDSML-HUUCEWRRSA-N -1 1 341.411 2.198 20 0 EEADMM O=C([O-])[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000833165637 602179948 /nfs/dbraw/zinc/17/99/48/602179948.db2.gz KYHCTMZKNIIJBS-OAHLLOKOSA-N -1 1 337.372 2.015 20 0 EEADMM Clc1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)nc1-c1nnn[n-]1 ZINC000826352283 607681310 /nfs/dbraw/zinc/68/13/10/607681310.db2.gz VQJMKNCEMZQLQB-WDEREUQCSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCC[C@H]([C@@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC000826352283 607681312 /nfs/dbraw/zinc/68/13/12/607681312.db2.gz VQJMKNCEMZQLQB-WDEREUQCSA-N -1 1 334.811 2.168 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000833145876 604294308 /nfs/dbraw/zinc/29/43/08/604294308.db2.gz TZFUOBOQKSCTCJ-AWEZNQCLSA-N -1 1 328.372 2.027 20 0 EEADMM CC(C)C(=O)N1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833463967 604592246 /nfs/dbraw/zinc/59/22/46/604592246.db2.gz UUJMXYXYFHEAIT-OAHLLOKOSA-N -1 1 348.443 2.229 20 0 EEADMM O=C(OCc1nc(C2CCCC2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000826467925 607709466 /nfs/dbraw/zinc/70/94/66/607709466.db2.gz RMDKNLSVDNMQRG-UHFFFAOYSA-N -1 1 346.372 2.326 20 0 EEADMM O=C(OCc1nc(C2CCCC2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000826467925 607709468 /nfs/dbraw/zinc/70/94/68/607709468.db2.gz RMDKNLSVDNMQRG-UHFFFAOYSA-N -1 1 346.372 2.326 20 0 EEADMM Cc1cc(NC(=O)CN(CCCC(=O)[O-])Cc2ccccc2)no1 ZINC000832893176 604785938 /nfs/dbraw/zinc/78/59/38/604785938.db2.gz KILVOUPQAOUUIW-UHFFFAOYSA-N -1 1 331.372 2.289 20 0 EEADMM CCCCCC[C@@]1(C)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000829356371 604981068 /nfs/dbraw/zinc/98/10/68/604981068.db2.gz CCXRWIRQIPMCTH-CXAGYDPISA-N -1 1 339.436 2.164 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1 ZINC000833626964 605103264 /nfs/dbraw/zinc/10/32/64/605103264.db2.gz TYHHJTPTZPJSOK-AWEZNQCLSA-N -1 1 326.396 2.461 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2nc(CCC(=O)[O-])cs2)C[C@@H]1C ZINC000833655182 605164580 /nfs/dbraw/zinc/16/45/80/605164580.db2.gz AWPBQOAEWSQNGO-QWRGUYRKSA-N -1 1 340.449 2.107 20 0 EEADMM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Br)c2)CCN1C ZINC000251857885 605209091 /nfs/dbraw/zinc/20/90/91/605209091.db2.gz SDSBKCHAAGZPQV-GXFFZTMASA-N -1 1 327.222 2.211 20 0 EEADMM C[C@H]1CN(C(=O)c2csc3c2CCCC3)CCN1CCC(=O)[O-] ZINC000833625330 605252640 /nfs/dbraw/zinc/25/26/40/605252640.db2.gz UKWNRHUJLBYGLR-LBPRGKRZSA-N -1 1 336.457 2.248 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCN1CCC(=O)[O-] ZINC000833625767 605259233 /nfs/dbraw/zinc/25/92/33/605259233.db2.gz ZZHACGIGSNZWKZ-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC000833382187 605276043 /nfs/dbraw/zinc/27/60/43/605276043.db2.gz KUNUMKGLIXLESG-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM COc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833731616 605277280 /nfs/dbraw/zinc/27/72/80/605277280.db2.gz LFWZBYXDOMJYSV-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623170 606243213 /nfs/dbraw/zinc/24/32/13/606243213.db2.gz HILRMUANWUDOSK-CXAGYDPISA-N -1 1 339.403 2.163 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623170 606243214 /nfs/dbraw/zinc/24/32/14/606243214.db2.gz HILRMUANWUDOSK-CXAGYDPISA-N -1 1 339.403 2.163 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821368690 606399214 /nfs/dbraw/zinc/39/92/14/606399214.db2.gz UVQKTKRKSIWZDF-ZIAGYGMSSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821368690 606399215 /nfs/dbraw/zinc/39/92/15/606399215.db2.gz UVQKTKRKSIWZDF-ZIAGYGMSSA-N -1 1 345.403 2.402 20 0 EEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)CC(C)C ZINC000821641057 606468542 /nfs/dbraw/zinc/46/85/42/606468542.db2.gz VKLSJKJWFLAQTP-VIFPVBQESA-N -1 1 338.799 2.162 20 0 EEADMM COC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)CC(C)C ZINC000821641057 606468543 /nfs/dbraw/zinc/46/85/43/606468543.db2.gz VKLSJKJWFLAQTP-VIFPVBQESA-N -1 1 338.799 2.162 20 0 EEADMM Cc1ccc([C@H]2COCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822232862 606476411 /nfs/dbraw/zinc/47/64/11/606476411.db2.gz CJUFYYMSYOOFPB-LLVKDONJSA-N -1 1 346.778 2.394 20 0 EEADMM Cc1ccc([C@H]2COCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822232862 606476413 /nfs/dbraw/zinc/47/64/13/606476413.db2.gz CJUFYYMSYOOFPB-LLVKDONJSA-N -1 1 346.778 2.394 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823453962 606490920 /nfs/dbraw/zinc/49/09/20/606490920.db2.gz GZLNXXJZZFPQLF-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823453962 606490922 /nfs/dbraw/zinc/49/09/22/606490922.db2.gz GZLNXXJZZFPQLF-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823483794 606497883 /nfs/dbraw/zinc/49/78/83/606497883.db2.gz NMYSAULZNFFWHP-SSDOTTSWSA-N -1 1 331.323 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823483794 606497884 /nfs/dbraw/zinc/49/78/84/606497884.db2.gz NMYSAULZNFFWHP-SSDOTTSWSA-N -1 1 331.323 2.343 20 0 EEADMM COC(=O)c1ccsc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821671507 606515296 /nfs/dbraw/zinc/51/52/96/606515296.db2.gz YZZGKERIVYLZGA-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COC(=O)c1ccsc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821671507 606515297 /nfs/dbraw/zinc/51/52/97/606515297.db2.gz YZZGKERIVYLZGA-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823161673 606554386 /nfs/dbraw/zinc/55/43/86/606554386.db2.gz PJFXVTZGGMWNEE-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823161673 606554387 /nfs/dbraw/zinc/55/43/87/606554387.db2.gz PJFXVTZGGMWNEE-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821357387 606570923 /nfs/dbraw/zinc/57/09/23/606570923.db2.gz CWMOYRZWGHAODO-NWDGAFQWSA-N -1 1 335.433 2.204 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821357387 606570924 /nfs/dbraw/zinc/57/09/24/606570924.db2.gz CWMOYRZWGHAODO-NWDGAFQWSA-N -1 1 335.433 2.204 20 0 EEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821360278 606573256 /nfs/dbraw/zinc/57/32/56/606573256.db2.gz QIZWHEYZGBBMSN-RYUDHWBXSA-N -1 1 333.417 2.006 20 0 EEADMM CCO[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821360278 606573258 /nfs/dbraw/zinc/57/32/58/606573258.db2.gz QIZWHEYZGBBMSN-RYUDHWBXSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-n2cccc2)nc1 ZINC000823294684 606608770 /nfs/dbraw/zinc/60/87/70/606608770.db2.gz MXDGLYCKWBSRDU-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM Cn1cc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822674167 606651274 /nfs/dbraw/zinc/65/12/74/606651274.db2.gz MQRAXPHJKVLQKK-UHFFFAOYSA-N -1 1 348.366 2.039 20 0 EEADMM Cn1cc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822674167 606651275 /nfs/dbraw/zinc/65/12/75/606651275.db2.gz MQRAXPHJKVLQKK-UHFFFAOYSA-N -1 1 348.366 2.039 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000822263555 606799965 /nfs/dbraw/zinc/79/99/65/606799965.db2.gz SOINMFBOYDZTDA-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000822263555 606799967 /nfs/dbraw/zinc/79/99/67/606799967.db2.gz SOINMFBOYDZTDA-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1-c1ncco1 ZINC000822254612 607028446 /nfs/dbraw/zinc/02/84/46/607028446.db2.gz OARFKDDSCWFEPP-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1-c1ncco1 ZINC000822254612 607028447 /nfs/dbraw/zinc/02/84/47/607028447.db2.gz OARFKDDSCWFEPP-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(N2CCCCC2)cn1 ZINC000823757930 607229501 /nfs/dbraw/zinc/22/95/01/607229501.db2.gz XRAPVCSKXZTXIE-UHFFFAOYSA-N -1 1 325.376 2.457 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(N2CCCCC2)cn1 ZINC000823757930 607229502 /nfs/dbraw/zinc/22/95/02/607229502.db2.gz XRAPVCSKXZTXIE-UHFFFAOYSA-N -1 1 325.376 2.457 20 0 EEADMM CCC(C)(C)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825044068 607809441 /nfs/dbraw/zinc/80/94/41/607809441.db2.gz NGNUNNDAVQLXIB-UHFFFAOYSA-N -1 1 325.376 2.022 20 0 EEADMM CN(CC1CCCCC1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825908339 607864458 /nfs/dbraw/zinc/86/44/58/607864458.db2.gz GTSPPWBMJUOEPA-UHFFFAOYSA-N -1 1 347.394 2.423 20 0 EEADMM CN(CC1CCCCC1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825908339 607864459 /nfs/dbraw/zinc/86/44/59/607864459.db2.gz GTSPPWBMJUOEPA-UHFFFAOYSA-N -1 1 347.394 2.423 20 0 EEADMM CCN(CCCNc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000825418991 607896246 /nfs/dbraw/zinc/89/62/46/607896246.db2.gz CHUCQMDRADQJRB-UHFFFAOYSA-N -1 1 347.423 2.321 20 0 EEADMM CCN(CCCNc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000825418991 607896247 /nfs/dbraw/zinc/89/62/47/607896247.db2.gz CHUCQMDRADQJRB-UHFFFAOYSA-N -1 1 347.423 2.321 20 0 EEADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1c(F)cccc1F ZINC000825149370 607900801 /nfs/dbraw/zinc/90/08/01/607900801.db2.gz XKYVPICXGWGGHT-XHDPSFHLSA-N -1 1 346.341 2.464 20 0 EEADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1F ZINC000825149370 607900802 /nfs/dbraw/zinc/90/08/02/607900802.db2.gz XKYVPICXGWGGHT-XHDPSFHLSA-N -1 1 346.341 2.464 20 0 EEADMM Fc1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826372458 607987955 /nfs/dbraw/zinc/98/79/55/607987955.db2.gz XFYOYRGWQXNDDV-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826372458 607987956 /nfs/dbraw/zinc/98/79/56/607987956.db2.gz XFYOYRGWQXNDDV-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824053351 608117245 /nfs/dbraw/zinc/11/72/45/608117245.db2.gz XMULNETULTZNPH-SECBINFHSA-N -1 1 345.309 2.387 20 0 EEADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824053351 608117246 /nfs/dbraw/zinc/11/72/46/608117246.db2.gz XMULNETULTZNPH-SECBINFHSA-N -1 1 345.309 2.387 20 0 EEADMM CCN(CCc1ccccn1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825428845 608187686 /nfs/dbraw/zinc/18/76/86/608187686.db2.gz UKEKAOKWEYIBJJ-UHFFFAOYSA-N -1 1 335.824 2.441 20 0 EEADMM CCN(CCc1ccccn1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825428845 608187688 /nfs/dbraw/zinc/18/76/88/608187688.db2.gz UKEKAOKWEYIBJJ-UHFFFAOYSA-N -1 1 335.824 2.441 20 0 EEADMM Clc1nsc(Nc2cccc(-n3ccnn3)c2)c1-c1nnn[n-]1 ZINC000826354519 608191314 /nfs/dbraw/zinc/19/13/14/608191314.db2.gz ILKJIAFMBKQECJ-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM Clc1nsc(Nc2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC000826354519 608191315 /nfs/dbraw/zinc/19/13/15/608191315.db2.gz ILKJIAFMBKQECJ-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM COC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC000826150676 608314487 /nfs/dbraw/zinc/31/44/87/608314487.db2.gz JMUODDCOZIRKQO-CYBMUJFWSA-N -1 1 335.314 2.215 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826332597 608393633 /nfs/dbraw/zinc/39/36/33/608393633.db2.gz YVDOJVYPFTZVNK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826332597 608393634 /nfs/dbraw/zinc/39/36/34/608393634.db2.gz YVDOJVYPFTZVNK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM CC(C)OCc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824315676 608394511 /nfs/dbraw/zinc/39/45/11/608394511.db2.gz TUGPVBAJSCKOLI-UHFFFAOYSA-N -1 1 325.376 2.194 20 0 EEADMM CC(C)OCc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824315676 608394513 /nfs/dbraw/zinc/39/45/13/608394513.db2.gz TUGPVBAJSCKOLI-UHFFFAOYSA-N -1 1 325.376 2.194 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC000825075220 609172875 /nfs/dbraw/zinc/17/28/75/609172875.db2.gz NHKNZWOCBXJPNV-LLVKDONJSA-N -1 1 325.376 2.446 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC000825075220 609172876 /nfs/dbraw/zinc/17/28/76/609172876.db2.gz NHKNZWOCBXJPNV-LLVKDONJSA-N -1 1 325.376 2.446 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@@H](C)c3cccc(F)c3)C2)c1[O-] ZINC000969500555 675075333 /nfs/dbraw/zinc/07/53/33/675075333.db2.gz QYUCTTZWEOHTMW-JQWIXIFHSA-N -1 1 346.406 2.374 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@H](O)[C@@H](F)C3)c2)o1 ZINC000890680401 675319240 /nfs/dbraw/zinc/31/92/40/675319240.db2.gz YAFMSXHZYFZMIK-ZFWWWQNUSA-N -1 1 333.315 2.010 20 0 EEADMM COc1ccccc1OCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000078794182 675426773 /nfs/dbraw/zinc/42/67/73/675426773.db2.gz BIHCSSVGYPRSMJ-UHFFFAOYSA-N -1 1 345.399 2.019 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000081592054 675487277 /nfs/dbraw/zinc/48/72/77/675487277.db2.gz VSYRAYKRYLJPFZ-UHFFFAOYSA-N -1 1 344.415 2.316 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020795898 675501578 /nfs/dbraw/zinc/50/15/78/675501578.db2.gz IFMOBYDGVKFPKH-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H](O)c1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1F ZINC000804796265 675635047 /nfs/dbraw/zinc/63/50/47/675635047.db2.gz DKGICJDPKRJMIY-QMMMGPOBSA-N -1 1 332.360 2.463 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1ccc(F)c(F)c1)c1ncccc1[O-] ZINC001038183648 675680025 /nfs/dbraw/zinc/68/00/25/675680025.db2.gz LHFCIISNCAMJQM-GFCCVEGCSA-N -1 1 333.338 2.070 20 0 EEADMM Cc1ccn2cc(C(=O)NCCc3n[n-]c(=S)n3C3CC3)nc2c1 ZINC000067078780 676476907 /nfs/dbraw/zinc/47/69/07/676476907.db2.gz RNTZDHPCZDWOMD-UHFFFAOYSA-N -1 1 342.428 2.204 20 0 EEADMM COc1cccc(CN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000078776582 676653158 /nfs/dbraw/zinc/65/31/58/676653158.db2.gz CNAYXEDBYPHMJQ-UHFFFAOYSA-N -1 1 329.400 2.483 20 0 EEADMM O=C(C[C@@H]1Cc2ccccc2O1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891616224 676723647 /nfs/dbraw/zinc/72/36/47/676723647.db2.gz WQKWKRMGEHUKTB-LBPRGKRZSA-N -1 1 325.368 2.393 20 0 EEADMM COc1cccc(OC)c1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621388 676732131 /nfs/dbraw/zinc/73/21/31/676732131.db2.gz IPMCXLORROQUEJ-UHFFFAOYSA-N -1 1 343.383 2.259 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000866854420 677900482 /nfs/dbraw/zinc/90/04/82/677900482.db2.gz NSTSPVJYKYQUOM-UHFFFAOYSA-N -1 1 334.438 2.157 20 0 EEADMM Cc1cccc([C@H](C)C[N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000866861164 677922706 /nfs/dbraw/zinc/92/27/06/677922706.db2.gz HWPTWNCTTXVYPL-CYBMUJFWSA-N -1 1 330.475 2.195 20 0 EEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C[C@H](O)C(F)(F)F ZINC000934175901 677967040 /nfs/dbraw/zinc/96/70/40/677967040.db2.gz YIFMBSGPEFTECT-VIFPVBQESA-N -1 1 347.667 2.480 20 0 EEADMM Cc1nocc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1O ZINC001024337945 679876119 /nfs/dbraw/zinc/87/61/19/679876119.db2.gz UVPMTFIDHKTSIE-HNNXBMFYSA-N -1 1 329.400 2.473 20 0 EEADMM CC(C)(C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001024986506 681676132 /nfs/dbraw/zinc/67/61/32/681676132.db2.gz PHGIWNBJUUWXLL-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC000937211592 681683420 /nfs/dbraw/zinc/68/34/20/681683420.db2.gz MPSMCRBANANADR-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM Cc1nn(CC(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)c1Cl ZINC000066638463 681782118 /nfs/dbraw/zinc/78/21/18/681782118.db2.gz FMTGLSJKNMZIGA-UHFFFAOYSA-N -1 1 340.840 2.059 20 0 EEADMM COCc1nc(NC[C@@H](O)c2cccc(OC(C)C)c2)cc(=O)[n-]1 ZINC000892577492 681837388 /nfs/dbraw/zinc/83/73/88/681837388.db2.gz SKUQDOSOHQRMNI-CQSZACIVSA-N -1 1 333.388 2.261 20 0 EEADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000310894790 681987421 /nfs/dbraw/zinc/98/74/21/681987421.db2.gz LQXRMMDLZSIZHH-SECBINFHSA-N -1 1 338.271 2.348 20 0 EEADMM Cc1cscc1C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982671199 682009851 /nfs/dbraw/zinc/00/98/51/682009851.db2.gz OLZZAFQGIAFBRK-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM CCc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000973198522 682296161 /nfs/dbraw/zinc/29/61/61/682296161.db2.gz YEKOYOQABHXGPL-XYPYZODXSA-N -1 1 345.424 2.102 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCCc2ccc(F)cc2)co1 ZINC000166581993 682528959 /nfs/dbraw/zinc/52/89/59/682528959.db2.gz KHGFULFSZCHEIZ-UHFFFAOYSA-N -1 1 341.360 2.116 20 0 EEADMM Cc1nc([C@@H]([N-]c2nnc(C(F)(F)F)s2)c2cnn(C)c2)no1 ZINC000894888772 683329903 /nfs/dbraw/zinc/32/99/03/683329903.db2.gz UUDRXGNMEPTIOY-ZETCQYMHSA-N -1 1 345.310 2.183 20 0 EEADMM CCCc1ccc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)s1 ZINC000992815580 683516891 /nfs/dbraw/zinc/51/68/91/683516891.db2.gz RCBNLTKXTNQCRB-UHFFFAOYSA-N -1 1 345.424 2.056 20 0 EEADMM COc1cc(NC(=O)c2ccccc2[O-])c(C(=O)N(C)C)cc1OC ZINC000914778927 683964073 /nfs/dbraw/zinc/96/40/73/683964073.db2.gz JVLGRULXQUMFHX-UHFFFAOYSA-N -1 1 344.367 2.364 20 0 EEADMM CN(C(=O)C1(C)CCCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984124787 684128565 /nfs/dbraw/zinc/12/85/65/684128565.db2.gz ZIBJGZJZOJMANA-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978754590 693859899 /nfs/dbraw/zinc/85/98/99/693859899.db2.gz QJZZUKDUNCJKOB-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM O=C([O-])CN(CCc1ccccc1)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000909515891 684499120 /nfs/dbraw/zinc/49/91/20/684499120.db2.gz HWGXXPVCSSDORH-UHFFFAOYSA-N -1 1 341.289 2.198 20 0 EEADMM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1C2CC3CC(C2)CC1C3 ZINC000909398857 693871797 /nfs/dbraw/zinc/87/17/97/693871797.db2.gz OXORTLAKPZMIQS-YWJPIRHGSA-N -1 1 334.460 2.066 20 0 EEADMM CC(=O)N(C)C1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895890773 684765129 /nfs/dbraw/zinc/76/51/29/684765129.db2.gz LEKYFGWQEJELSI-UHFFFAOYSA-N -1 1 342.395 2.334 20 0 EEADMM Cc1cnc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)s1 ZINC000974493389 684987796 /nfs/dbraw/zinc/98/77/96/684987796.db2.gz WMOOULBNHQBUPJ-ZDUSSCGKSA-N -1 1 346.456 2.193 20 0 EEADMM C[C@@H](C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001059515984 686283028 /nfs/dbraw/zinc/28/30/28/686283028.db2.gz BWTPUPQSPRIWOG-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCCC[C@H]1O ZINC000866916121 686424691 /nfs/dbraw/zinc/42/46/91/686424691.db2.gz PTABKKLBGHOHEK-ZWNOBZJWSA-N -1 1 336.816 2.094 20 0 EEADMM O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897299277 686645561 /nfs/dbraw/zinc/64/55/61/686645561.db2.gz CCYMURJTVBLJSP-DJJJIMSYSA-N -1 1 343.379 2.319 20 0 EEADMM CC[C@@](NC(=O)Cc1cc(C)n[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909609727 687127338 /nfs/dbraw/zinc/12/73/38/687127338.db2.gz WREAPGQARUIGQJ-INIZCTEOSA-N -1 1 335.791 2.420 20 0 EEADMM CC(C)(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976393472 687652973 /nfs/dbraw/zinc/65/29/73/687652973.db2.gz JIWIHJHJXMGDDQ-IMRBUKKESA-N -1 1 345.443 2.046 20 0 EEADMM CCC(CC)(CC)C(=O)N1CC[C@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029877848 687996201 /nfs/dbraw/zinc/99/62/01/687996201.db2.gz XNWTYBOKNYFMEA-CYBMUJFWSA-N -1 1 337.468 2.007 20 0 EEADMM Cc1cccc(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000936485501 688035085 /nfs/dbraw/zinc/03/50/85/688035085.db2.gz NVXHGLOAPLBYTC-HNNXBMFYSA-N -1 1 339.395 2.082 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029993078 689104693 /nfs/dbraw/zinc/10/46/93/689104693.db2.gz SVXITBFVXQUPRX-GJZGRUSLSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@@H](C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000986975103 689161686 /nfs/dbraw/zinc/16/16/86/689161686.db2.gz GWIRAOABXNHCKK-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059796358 689656069 /nfs/dbraw/zinc/65/60/69/689656069.db2.gz SCXVHWQGHMUHHJ-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000263329818 689684867 /nfs/dbraw/zinc/68/48/67/689684867.db2.gz LGYYYXVTEFRJHD-MNOVXSKESA-N -1 1 331.347 2.399 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000988086564 690296509 /nfs/dbraw/zinc/29/65/09/690296509.db2.gz KJLROLBLBGGSAL-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1C ZINC000897520203 690829665 /nfs/dbraw/zinc/82/96/65/690829665.db2.gz CARPDLYOSCZHNO-ZWNOBZJWSA-N -1 1 329.352 2.275 20 0 EEADMM Cc1cccc(C)c1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937866328 691043430 /nfs/dbraw/zinc/04/34/30/691043430.db2.gz ZYNPQQSZQIPIIV-AWEZNQCLSA-N -1 1 339.395 2.049 20 0 EEADMM Cn1c(CNC(=O)c2ccc(F)c(Br)c2)n[n-]c1=S ZINC000080026428 691121128 /nfs/dbraw/zinc/12/11/28/691121128.db2.gz RUHMRHMUNZOQFN-UHFFFAOYSA-N -1 1 345.197 2.309 20 0 EEADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000897832943 691796854 /nfs/dbraw/zinc/79/68/54/691796854.db2.gz QRTWWCJSAOWFEB-CQSZACIVSA-N -1 1 329.352 2.417 20 0 EEADMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897945413 691830826 /nfs/dbraw/zinc/83/08/26/691830826.db2.gz CQICPYMNVDAJJO-BLLLJJGKSA-N -1 1 340.379 2.134 20 0 EEADMM Cc1cc(C)nc(NC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060021014 692812054 /nfs/dbraw/zinc/81/20/54/692812054.db2.gz HPIPULCDAPWBII-CQSZACIVSA-N -1 1 341.415 2.158 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)[C@H]1CCCC12CC2)C(=O)c1ncccc1[O-] ZINC000977619408 692852480 /nfs/dbraw/zinc/85/24/80/692852480.db2.gz QJQFIGOHYIWFAR-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C[C@H]1CCN1C(=O)CCC1CCC1)C(=O)c1ncccc1[O-] ZINC000977623611 692858298 /nfs/dbraw/zinc/85/82/98/692858298.db2.gz YMZSQJPDRMNKQI-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CC[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000990491412 692962992 /nfs/dbraw/zinc/96/29/92/692962992.db2.gz WJEYJHNVIBNVLH-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757214 693442337 /nfs/dbraw/zinc/44/23/37/693442337.db2.gz PULNQBNQRMUKQQ-VIFPVBQESA-N -1 1 337.376 2.072 20 0 EEADMM C[C@H](NC(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1cc(=O)[nH][n-]1 ZINC000898878347 693500982 /nfs/dbraw/zinc/50/09/82/693500982.db2.gz RRKMBHQLEHFIPI-LBPRGKRZSA-N -1 1 347.390 2.471 20 0 EEADMM C[C@@]1(C(=O)N2CCCC[C@H](NC(=O)c3ncccc3[O-])C2)C=CCC1 ZINC000943204458 1192114583 /nfs/dbraw/zinc/11/45/83/1192114583.db2.gz TWYCRUCKJICYIX-IFXJQAMLSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C(=O)N[C@H]2CCCCN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC000943393677 1192245422 /nfs/dbraw/zinc/24/54/22/1192245422.db2.gz OASWKRDXWSBSKU-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000943458399 1192271108 /nfs/dbraw/zinc/27/11/08/1192271108.db2.gz PTNGKFLMIOIALZ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000943684339 1192473592 /nfs/dbraw/zinc/47/35/92/1192473592.db2.gz DLCHUQHDPIAZBP-MGPQQGTHSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000943977147 1192734407 /nfs/dbraw/zinc/73/44/07/1192734407.db2.gz VATPYRBFUKERMU-KSMMKXTCSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1ncccc1[O-] ZINC000944108107 1192878378 /nfs/dbraw/zinc/87/83/78/1192878378.db2.gz OCMWKKAMIZICRE-ZIAGYGMSSA-N -1 1 343.427 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C[C@@H](C1CC1)N(C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1)C1CC1 ZINC001609725323 1352069710 /nfs/dbraw/zinc/06/97/10/1352069710.db2.gz YFTSRHNGBCGQGF-DJJJIMSYSA-N -1 1 345.443 2.151 20 0 EEADMM C[C@H](c1ccsc1)N1CCN(C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001609809944 1352090722 /nfs/dbraw/zinc/09/07/22/1352090722.db2.gz QFZPILVQKPIYDU-RTXFEEFZSA-N -1 1 330.400 2.393 20 0 EEADMM CC(C)CN(C)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C ZINC001338531866 1336873822 /nfs/dbraw/zinc/87/38/22/1336873822.db2.gz WDLSQGNKERAASS-UHFFFAOYSA-N -1 1 339.403 2.132 20 0 EEADMM CC[C@H](NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC001609931598 1352123115 /nfs/dbraw/zinc/12/31/15/1352123115.db2.gz DAKXWYOYGRORPS-JSGCOSHPSA-N -1 1 336.413 2.322 20 0 EEADMM CCC[C@H](C)N(C)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001609956227 1352129277 /nfs/dbraw/zinc/12/92/77/1352129277.db2.gz ZZRSQZAPBZSKKX-NSHDSACASA-N -1 1 336.388 2.230 20 0 EEADMM CCn1c(CN2CCSC[C@@H](C(=O)[O-])C2)nc2cc(F)ccc21 ZINC001610082939 1352158395 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1 334.335 2.326 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001431422065 1340589558 /nfs/dbraw/zinc/58/95/58/1340589558.db2.gz CBIQULIUOPDYCH-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM Cc1ccccc1C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001431853930 1340764305 /nfs/dbraw/zinc/76/43/05/1340764305.db2.gz XVVRURQDDNMTGJ-UHFFFAOYSA-N -1 1 339.395 2.130 20 0 EEADMM O=C([C@@H](Cc1ccccc1)C1CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001553575107 1342350296 /nfs/dbraw/zinc/35/02/96/1342350296.db2.gz OFWNWKDEIWYNEX-HOTGVXAUSA-N -1 1 325.416 2.175 20 0 EEADMM Cc1cnc2nc(C(=O)Nc3ccc(Br)c([O-])c3)nn2c1 ZINC001567612509 1342794408 /nfs/dbraw/zinc/79/44/08/1342794408.db2.gz YSWGUIFISVJFOE-UHFFFAOYSA-N -1 1 348.160 2.153 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc2c1OCO2 ZINC001575484514 1343807701 /nfs/dbraw/zinc/80/77/01/1343807701.db2.gz BXYVNHIYTSDLCY-QMMMGPOBSA-N -1 1 328.284 2.106 20 0 EEADMM CCO[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001578268936 1344256762 /nfs/dbraw/zinc/25/67/62/1344256762.db2.gz OVPHZZZELNVRPF-CYBMUJFWSA-N -1 1 335.433 2.140 20 0 EEADMM C[S@](=O)Cc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001580173094 1344484827 /nfs/dbraw/zinc/48/48/27/1344484827.db2.gz ZHZKPTUICUMZSV-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM O=C(NCc1cscc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582558165 1344762632 /nfs/dbraw/zinc/76/26/32/1344762632.db2.gz KFKGLEWKRRNPNY-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1cscc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582558165 1344762634 /nfs/dbraw/zinc/76/26/34/1344762634.db2.gz KFKGLEWKRRNPNY-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(Nc1cnc(-c2ccccc2)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001582649895 1344777375 /nfs/dbraw/zinc/77/73/75/1344777375.db2.gz IFFJFDDGFIVBQI-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cnc(-c2ccccc2)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001582649895 1344777378 /nfs/dbraw/zinc/77/73/78/1344777378.db2.gz IFFJFDDGFIVBQI-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001582708460 1344784812 /nfs/dbraw/zinc/78/48/12/1344784812.db2.gz LHQKKIMLXSDVCF-KFWWJZLASA-N -1 1 346.394 2.137 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001582708460 1344784816 /nfs/dbraw/zinc/78/48/16/1344784816.db2.gz LHQKKIMLXSDVCF-KFWWJZLASA-N -1 1 346.394 2.137 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)OCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001588889264 1348942411 /nfs/dbraw/zinc/94/24/11/1348942411.db2.gz PDAIWNMMEQDHQK-ZJUUUORDSA-N -1 1 349.416 2.008 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)OCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001588889264 1348942415 /nfs/dbraw/zinc/94/24/15/1348942415.db2.gz PDAIWNMMEQDHQK-ZJUUUORDSA-N -1 1 349.416 2.008 20 0 EEADMM CC(=O)c1cccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001588920683 1348948181 /nfs/dbraw/zinc/94/81/81/1348948181.db2.gz TZRDCFYUUHSKEE-UHFFFAOYSA-N -1 1 348.775 2.432 20 0 EEADMM C[C@H](C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)C1CCCC1 ZINC001588958212 1348950362 /nfs/dbraw/zinc/95/03/62/1348950362.db2.gz XQNDWQYHTTZVNT-NSHDSACASA-N -1 1 326.404 2.367 20 0 EEADMM C[C@H](C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)C1CCCC1 ZINC001588958212 1348950365 /nfs/dbraw/zinc/95/03/65/1348950365.db2.gz XQNDWQYHTTZVNT-NSHDSACASA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)C1CCCC1 ZINC001588958211 1348950509 /nfs/dbraw/zinc/95/05/09/1348950509.db2.gz XQNDWQYHTTZVNT-LLVKDONJSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)C1CCCC1 ZINC001588958211 1348950512 /nfs/dbraw/zinc/95/05/12/1348950512.db2.gz XQNDWQYHTTZVNT-LLVKDONJSA-N -1 1 326.404 2.367 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001589283410 1348978554 /nfs/dbraw/zinc/97/85/54/1348978554.db2.gz QDPVOTHNXFATJV-UHFFFAOYSA-N -1 1 343.313 2.362 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001589283410 1348978555 /nfs/dbraw/zinc/97/85/55/1348978555.db2.gz QDPVOTHNXFATJV-UHFFFAOYSA-N -1 1 343.313 2.362 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589452154 1348990816 /nfs/dbraw/zinc/99/08/16/1348990816.db2.gz LUAKUZUYWQEIGK-OAHLLOKOSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589452154 1348990820 /nfs/dbraw/zinc/99/08/20/1348990820.db2.gz LUAKUZUYWQEIGK-OAHLLOKOSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589461902 1348992494 /nfs/dbraw/zinc/99/24/94/1348992494.db2.gz SJCMOAYWVHRZCW-AWEZNQCLSA-N -1 1 325.372 2.457 20 0 EEADMM CC(C)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589461902 1348992496 /nfs/dbraw/zinc/99/24/96/1348992496.db2.gz SJCMOAYWVHRZCW-AWEZNQCLSA-N -1 1 325.372 2.457 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589489935 1348994939 /nfs/dbraw/zinc/99/49/39/1348994939.db2.gz DXMMFVUXUPDMBG-QFYYESIMSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589489935 1348994943 /nfs/dbraw/zinc/99/49/43/1348994943.db2.gz DXMMFVUXUPDMBG-QFYYESIMSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)Oc1ccccc1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589758397 1349031237 /nfs/dbraw/zinc/03/12/37/1349031237.db2.gz JPBWYZXQAFIHNP-LLVKDONJSA-N -1 1 325.376 2.039 20 0 EEADMM CC(C)c1cccc(N(CCO)Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001589771576 1349035564 /nfs/dbraw/zinc/03/55/64/1349035564.db2.gz WDYRRHYAJRUSCD-UHFFFAOYSA-N -1 1 344.444 2.446 20 0 EEADMM CC(C)c1cccc(N(CCO)Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001589771576 1349035566 /nfs/dbraw/zinc/03/55/66/1349035566.db2.gz WDYRRHYAJRUSCD-UHFFFAOYSA-N -1 1 344.444 2.446 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)cs1 ZINC001589775728 1349036426 /nfs/dbraw/zinc/03/64/26/1349036426.db2.gz LWSPYYOTLHAFEL-UHFFFAOYSA-N -1 1 332.389 2.012 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)cs1 ZINC001589775728 1349036431 /nfs/dbraw/zinc/03/64/31/1349036431.db2.gz LWSPYYOTLHAFEL-UHFFFAOYSA-N -1 1 332.389 2.012 20 0 EEADMM CC(C)n1ncc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1Cl ZINC001589785316 1349042116 /nfs/dbraw/zinc/04/21/16/1349042116.db2.gz YBXWYPAAZMUPOU-UHFFFAOYSA-N -1 1 336.739 2.248 20 0 EEADMM CC(C)n1ncc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1Cl ZINC001589785316 1349042120 /nfs/dbraw/zinc/04/21/20/1349042120.db2.gz YBXWYPAAZMUPOU-UHFFFAOYSA-N -1 1 336.739 2.248 20 0 EEADMM C[C@H](CCn1cccc(-c2nn[n-]n2)c1=O)OCc1ccccc1 ZINC001589835630 1349052568 /nfs/dbraw/zinc/05/25/68/1349052568.db2.gz CDQXTMSWFCPQON-CYBMUJFWSA-N -1 1 325.372 2.024 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC001589944565 1349072073 /nfs/dbraw/zinc/07/20/73/1349072073.db2.gz NSEQKRJZLUJNJV-FTGAXOIBSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC001589944565 1349072079 /nfs/dbraw/zinc/07/20/79/1349072079.db2.gz NSEQKRJZLUJNJV-FTGAXOIBSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@@H](OCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001590017189 1349110115 /nfs/dbraw/zinc/11/01/15/1349110115.db2.gz MEIGFQNGLMYNRI-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](OCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001590017189 1349110117 /nfs/dbraw/zinc/11/01/17/1349110117.db2.gz MEIGFQNGLMYNRI-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590103670 1349155800 /nfs/dbraw/zinc/15/58/00/1349155800.db2.gz GKUCRMQGHJCERD-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590103670 1349155802 /nfs/dbraw/zinc/15/58/02/1349155802.db2.gz GKUCRMQGHJCERD-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(C)OCC[C@@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590116915 1349161292 /nfs/dbraw/zinc/16/12/92/1349161292.db2.gz FERJUAXZQFIQTI-SNVBAGLBSA-N -1 1 325.376 2.037 20 0 EEADMM CC1(C)OCC[C@@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590116915 1349161298 /nfs/dbraw/zinc/16/12/98/1349161298.db2.gz FERJUAXZQFIQTI-SNVBAGLBSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCCO1 ZINC001590133377 1349168917 /nfs/dbraw/zinc/16/89/17/1349168917.db2.gz AQUWZBFLZMGNFY-MRXNPFEDSA-N -1 1 325.376 2.181 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCCO1 ZINC001590133377 1349168926 /nfs/dbraw/zinc/16/89/26/1349168926.db2.gz AQUWZBFLZMGNFY-MRXNPFEDSA-N -1 1 325.376 2.181 20 0 EEADMM C[C@@]1(F)CCCN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1 ZINC001590141585 1349171723 /nfs/dbraw/zinc/17/17/23/1349171723.db2.gz KFUPLNQMNAYGRS-CQSZACIVSA-N -1 1 325.294 2.109 20 0 EEADMM C[C@@]1(F)CCCN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1 ZINC001590141585 1349171725 /nfs/dbraw/zinc/17/17/25/1349171725.db2.gz KFUPLNQMNAYGRS-CQSZACIVSA-N -1 1 325.294 2.109 20 0 EEADMM C[C@@H](C(=O)OCCC1C[C@H](C)C[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190535 1349190547 /nfs/dbraw/zinc/19/05/47/1349190547.db2.gz ZYORMVVWJSUYBC-UTUOFQBUSA-N -1 1 347.423 2.025 20 0 EEADMM C[C@@H]1CC[C@H](CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001590231333 1349216676 /nfs/dbraw/zinc/21/66/76/1349216676.db2.gz XFEIXVCLVSYFPM-MNOVXSKESA-N -1 1 342.403 2.099 20 0 EEADMM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590252255 1349227274 /nfs/dbraw/zinc/22/72/74/1349227274.db2.gz KLAOSSUUQIQYDK-UWVGGRQHSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590252255 1349227280 /nfs/dbraw/zinc/22/72/80/1349227280.db2.gz KLAOSSUUQIQYDK-UWVGGRQHSA-N -1 1 341.462 2.175 20 0 EEADMM CC=CC=CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001590353637 1349279417 /nfs/dbraw/zinc/27/94/17/1349279417.db2.gz PMDQJXUAHFLUOS-IAROGAJJSA-N -1 1 335.165 2.095 20 0 EEADMM CC=CC=CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001590353637 1349279429 /nfs/dbraw/zinc/27/94/29/1349279429.db2.gz PMDQJXUAHFLUOS-IAROGAJJSA-N -1 1 335.165 2.095 20 0 EEADMM C/C=C\C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590356137 1349282186 /nfs/dbraw/zinc/28/21/86/1349282186.db2.gz XUEMJKFGOOXQSS-VSQXVHSFSA-N -1 1 342.403 2.231 20 0 EEADMM C/C=C\C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590356137 1349282191 /nfs/dbraw/zinc/28/21/91/1349282191.db2.gz XUEMJKFGOOXQSS-VSQXVHSFSA-N -1 1 342.403 2.231 20 0 EEADMM CC[C@@H](CNc1cc(-c2nnn[n-]2)nc(C)n1)Oc1cccc(F)c1 ZINC001590445663 1349327542 /nfs/dbraw/zinc/32/75/42/1349327542.db2.gz HUFMMCYJYFFFFB-LBPRGKRZSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H](CNc1cc(-c2nn[n-]n2)nc(C)n1)Oc1cccc(F)c1 ZINC001590445663 1349327547 /nfs/dbraw/zinc/32/75/47/1349327547.db2.gz HUFMMCYJYFFFFB-LBPRGKRZSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590452579 1349331471 /nfs/dbraw/zinc/33/14/71/1349331471.db2.gz YYPWUVUKPKZWMU-LLVKDONJSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590452579 1349331479 /nfs/dbraw/zinc/33/14/79/1349331479.db2.gz YYPWUVUKPKZWMU-LLVKDONJSA-N -1 1 325.376 2.106 20 0 EEADMM CCc1nc(NCc2ccc(C)c(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590923006 1349414839 /nfs/dbraw/zinc/41/48/39/1349414839.db2.gz HYTPNNCXYCQMGY-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(NCc2ccc(C)c(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590923006 1349414844 /nfs/dbraw/zinc/41/48/44/1349414844.db2.gz HYTPNNCXYCQMGY-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(Nc2ccc([C@H]3CCOC3)cc2)cc(-c2nnn[n-]2)n1 ZINC001590925777 1349416176 /nfs/dbraw/zinc/41/61/76/1349416176.db2.gz WXISSAZURHGIFJ-LBPRGKRZSA-N -1 1 337.387 2.467 20 0 EEADMM CCc1nc(Nc2ccc([C@H]3CCOC3)cc2)cc(-c2nn[n-]n2)n1 ZINC001590925777 1349416178 /nfs/dbraw/zinc/41/61/78/1349416178.db2.gz WXISSAZURHGIFJ-LBPRGKRZSA-N -1 1 337.387 2.467 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001591028599 1349429828 /nfs/dbraw/zinc/42/98/28/1349429828.db2.gz FCSZFJYLSAFGSD-UHFFFAOYSA-N -1 1 332.364 2.386 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001591028599 1349429834 /nfs/dbraw/zinc/42/98/34/1349429834.db2.gz FCSZFJYLSAFGSD-UHFFFAOYSA-N -1 1 332.364 2.386 20 0 EEADMM COc1ccc(CC(C)(C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001591584193 1349509568 /nfs/dbraw/zinc/50/95/68/1349509568.db2.gz VOQBSEZVNDJKFI-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC(C)(C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001591584193 1349509575 /nfs/dbraw/zinc/50/95/75/1349509575.db2.gz VOQBSEZVNDJKFI-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591992023 1349579686 /nfs/dbraw/zinc/57/96/86/1349579686.db2.gz IPPBRYVVCJQTTB-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591992023 1349579696 /nfs/dbraw/zinc/57/96/96/1349579696.db2.gz IPPBRYVVCJQTTB-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC[C@@H]1C[C@H]1C1CC1 ZINC001592202348 1349607176 /nfs/dbraw/zinc/60/71/76/1349607176.db2.gz CVUXPMRGPDMYNB-OLZOCXBDSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2c2cccc(F)c2)n1 ZINC001592340809 1349623201 /nfs/dbraw/zinc/62/32/01/1349623201.db2.gz ISNGBKGXHZKEQI-CQSZACIVSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2c2cccc(F)c2)n1 ZINC001592340809 1349623203 /nfs/dbraw/zinc/62/32/03/1349623203.db2.gz ISNGBKGXHZKEQI-CQSZACIVSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592479049 1349635666 /nfs/dbraw/zinc/63/56/66/1349635666.db2.gz AVIAKJTVTGWFQY-UHFFFAOYSA-N -1 1 347.379 2.435 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592479049 1349635670 /nfs/dbraw/zinc/63/56/70/1349635670.db2.gz AVIAKJTVTGWFQY-UHFFFAOYSA-N -1 1 347.379 2.435 20 0 EEADMM Cc1nsc(N[C@H]2CCN(c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001592486404 1349636108 /nfs/dbraw/zinc/63/61/08/1349636108.db2.gz JYOJRXNSCZDEGD-NSHDSACASA-N -1 1 345.407 2.462 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCSC[C@H]1C1CC1 ZINC001592498743 1349637226 /nfs/dbraw/zinc/63/72/26/1349637226.db2.gz AQZMDHZNFXLOQR-LBPRGKRZSA-N -1 1 333.417 2.126 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCSC[C@H]1C1CC1 ZINC001592498743 1349637227 /nfs/dbraw/zinc/63/72/27/1349637227.db2.gz AQZMDHZNFXLOQR-LBPRGKRZSA-N -1 1 333.417 2.126 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001592503623 1349640175 /nfs/dbraw/zinc/64/01/75/1349640175.db2.gz VZLMYABKLSUDEE-OLZOCXBDSA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001592503623 1349640177 /nfs/dbraw/zinc/64/01/77/1349640177.db2.gz VZLMYABKLSUDEE-OLZOCXBDSA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC2CC1(C)C2 ZINC001592504486 1349642783 /nfs/dbraw/zinc/64/27/83/1349642783.db2.gz BGYQVINCPCJOKG-UHFFFAOYSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC2CC1(C)C2 ZINC001592504486 1349642786 /nfs/dbraw/zinc/64/27/86/1349642786.db2.gz BGYQVINCPCJOKG-UHFFFAOYSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1onc(CC(=O)N(c2ccccc2)C2CCC2)c1-c1nnn[n-]1 ZINC001592515443 1349644443 /nfs/dbraw/zinc/64/44/43/1349644443.db2.gz ZQWRTUGPMVZLRT-UHFFFAOYSA-N -1 1 338.371 2.291 20 0 EEADMM Cc1onc(CC(=O)N(c2ccccc2)C2CCC2)c1-c1nn[n-]n1 ZINC001592515443 1349644444 /nfs/dbraw/zinc/64/44/44/1349644444.db2.gz ZQWRTUGPMVZLRT-UHFFFAOYSA-N -1 1 338.371 2.291 20 0 EEADMM Clc1nc(N2CCCC[C@H]2c2ncc[nH]2)sc1-c1nnn[n-]1 ZINC001592539796 1349652744 /nfs/dbraw/zinc/65/27/44/1349652744.db2.gz BNXSPBQYLSFERV-ZETCQYMHSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nc(N2CCCC[C@H]2c2ncc[nH]2)sc1-c1nn[n-]n1 ZINC001592539796 1349652748 /nfs/dbraw/zinc/65/27/48/1349652748.db2.gz BNXSPBQYLSFERV-ZETCQYMHSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1sc(N2CCCC[C@@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592541935 1349654309 /nfs/dbraw/zinc/65/43/09/1349654309.db2.gz WTFIPXUGGSYIOY-MRVPVSSYSA-N -1 1 348.823 2.498 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC001592558691 1349657500 /nfs/dbraw/zinc/65/75/00/1349657500.db2.gz GRJUTGFQLPFAQO-QJPTWQEYSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC001592558691 1349657503 /nfs/dbraw/zinc/65/75/03/1349657503.db2.gz GRJUTGFQLPFAQO-QJPTWQEYSA-N -1 1 329.408 2.145 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CCn3ccnc32)nc(-c2nnn[n-]2)c1 ZINC001592618786 1349674167 /nfs/dbraw/zinc/67/41/67/1349674167.db2.gz XBNNZKLCUOEFTG-QMMMGPOBSA-N -1 1 336.281 2.034 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CCn3ccnc32)nc(-c2nn[n-]n2)c1 ZINC001592618786 1349674172 /nfs/dbraw/zinc/67/41/72/1349674172.db2.gz XBNNZKLCUOEFTG-QMMMGPOBSA-N -1 1 336.281 2.034 20 0 EEADMM Fc1ccc(Br)c(F)c1Cn1ccnc1-c1nnn[n-]1 ZINC001592646594 1349692208 /nfs/dbraw/zinc/69/22/08/1349692208.db2.gz RIDOWTZCMVTLNV-UHFFFAOYSA-N -1 1 341.119 2.152 20 0 EEADMM Fc1ccc(Br)c(F)c1Cn1ccnc1-c1nn[n-]n1 ZINC001592646594 1349692209 /nfs/dbraw/zinc/69/22/09/1349692209.db2.gz RIDOWTZCMVTLNV-UHFFFAOYSA-N -1 1 341.119 2.152 20 0 EEADMM Fc1cccc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC001592654196 1349698859 /nfs/dbraw/zinc/69/88/59/1349698859.db2.gz FIFRKQJQUJBKSK-INIZCTEOSA-N -1 1 347.357 2.419 20 0 EEADMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001592968315 1349730677 /nfs/dbraw/zinc/73/06/77/1349730677.db2.gz HPWFZQNTADRDAD-DGCLKSJQSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(NCc1cccc2[nH]ccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593143648 1349740716 /nfs/dbraw/zinc/74/07/16/1349740716.db2.gz AYSFQRJXXDCEIR-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1cccc2[nH]ccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593143648 1349740719 /nfs/dbraw/zinc/74/07/19/1349740719.db2.gz AYSFQRJXXDCEIR-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]cc1-c1ccccc1 ZINC001593146682 1349742584 /nfs/dbraw/zinc/74/25/84/1349742584.db2.gz ZKKKZJXLNYMUAL-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]cc1-c1ccccc1 ZINC001593146682 1349742586 /nfs/dbraw/zinc/74/25/86/1349742586.db2.gz ZKKKZJXLNYMUAL-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001593244391 1349749037 /nfs/dbraw/zinc/74/90/37/1349749037.db2.gz QQJUKVYZCCYZTL-YPMHNXCESA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001593244391 1349749041 /nfs/dbraw/zinc/74/90/41/1349749041.db2.gz QQJUKVYZCCYZTL-YPMHNXCESA-N -1 1 327.392 2.352 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CC[C@@H](C2CCC2)C1 ZINC001593334813 1349782206 /nfs/dbraw/zinc/78/22/06/1349782206.db2.gz AVJLPSHGMUQZSZ-SNVBAGLBSA-N -1 1 332.795 2.177 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(Oc2ccccc2)CC1 ZINC001593367551 1349791829 /nfs/dbraw/zinc/79/18/29/1349791829.db2.gz MEJUGPFYPXSIFT-UHFFFAOYSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(Oc2ccccc2)CC1 ZINC001593367551 1349791832 /nfs/dbraw/zinc/79/18/32/1349791832.db2.gz MEJUGPFYPXSIFT-UHFFFAOYSA-N -1 1 339.355 2.143 20 0 EEADMM O=C1CCN1c1ccc(Nc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001593394626 1349797111 /nfs/dbraw/zinc/79/71/11/1349797111.db2.gz SDHBZOBRYMSDQH-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1CCN1c1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001593394641 1349797246 /nfs/dbraw/zinc/79/72/46/1349797246.db2.gz TUAPPDMKFMFAFU-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1CCN1c1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001593394641 1349797248 /nfs/dbraw/zinc/79/72/48/1349797248.db2.gz TUAPPDMKFMFAFU-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=Cc1ccc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001593415715 1349799142 /nfs/dbraw/zinc/79/91/42/1349799142.db2.gz LUDJCMLRCKZSQK-YVMONPNESA-N -1 1 339.380 2.070 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1CCC3(CCC3)O1)CCCC2 ZINC001593491877 1349816909 /nfs/dbraw/zinc/81/69/09/1349816909.db2.gz AMJJWIKFVBELMC-CYBMUJFWSA-N -1 1 341.415 2.009 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1ccc(F)c(F)c1)CCC2 ZINC001593491984 1349817248 /nfs/dbraw/zinc/81/72/48/1349817248.db2.gz GCXGOOPIZWECRR-UHFFFAOYSA-N -1 1 343.337 2.038 20 0 EEADMM Oc1ccc2c(c1)CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC001593540117 1349836360 /nfs/dbraw/zinc/83/63/60/1349836360.db2.gz QROXNMLHDYQCNT-UHFFFAOYSA-N -1 1 345.366 2.078 20 0 EEADMM Oc1ccc2c(c1)CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC001593540117 1349836362 /nfs/dbraw/zinc/83/63/62/1349836362.db2.gz QROXNMLHDYQCNT-UHFFFAOYSA-N -1 1 345.366 2.078 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001593540885 1349837169 /nfs/dbraw/zinc/83/71/69/1349837169.db2.gz WNELZQLLOFLWPL-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2nccnc2-c2nn[n-]n2)c1 ZINC001593562960 1349851053 /nfs/dbraw/zinc/85/10/53/1349851053.db2.gz UMBNYGHQLXLWIA-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1ccc(C[C@H](Nc2cncc(-c3nnn[n-]3)n2)c2ccccn2)cc1 ZINC001593573084 1349857429 /nfs/dbraw/zinc/85/74/29/1349857429.db2.gz KRSWUPMJDPOQDR-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@H](Nc2cncc(-c3nn[n-]n3)n2)c2ccccn2)cc1 ZINC001593573084 1349857430 /nfs/dbraw/zinc/85/74/30/1349857430.db2.gz KRSWUPMJDPOQDR-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM C[C@H](Cc1cnn(C)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001595436443 1349886404 /nfs/dbraw/zinc/88/64/04/1349886404.db2.gz XIUFIRGQZVALSY-LLVKDONJSA-N -1 1 325.372 2.333 20 0 EEADMM Cc1cc(C)n(-c2ccc(CN3C[C@H](C)O[C@H](C(=O)[O-])C3)cc2)n1 ZINC001600178193 1349986344 /nfs/dbraw/zinc/98/63/44/1349986344.db2.gz YARFALYANSNRFD-YOEHRIQHSA-N -1 1 329.400 2.163 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001600347270 1350025498 /nfs/dbraw/zinc/02/54/98/1350025498.db2.gz HVZVHOHTOVBVRY-SDBXPKJASA-N -1 1 329.356 2.427 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC001600380111 1350035339 /nfs/dbraw/zinc/03/53/39/1350035339.db2.gz TXOISUGQRDXFJU-QLFBSQMISA-N -1 1 349.431 2.277 20 0 EEADMM Cc1ccc(CCC2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)cc1 ZINC001600406055 1350042251 /nfs/dbraw/zinc/04/22/51/1350042251.db2.gz DSXVWSGKFHROGO-HNNXBMFYSA-N -1 1 332.444 2.229 20 0 EEADMM Cc1ccccc1C1(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CCC1 ZINC001600573385 1350086719 /nfs/dbraw/zinc/08/67/19/1350086719.db2.gz DDRMAEBFXYWVFZ-MRXNPFEDSA-N -1 1 344.455 2.424 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600586032 1350091038 /nfs/dbraw/zinc/09/10/38/1350091038.db2.gz WEZCLZGMFDKVCQ-MRXNPFEDSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n1 ZINC001600662309 1350112834 /nfs/dbraw/zinc/11/28/34/1350112834.db2.gz GJUZGPXMYKGFNP-UHFFFAOYSA-N -1 1 330.362 2.398 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1 ZINC001600675080 1350114216 /nfs/dbraw/zinc/11/42/16/1350114216.db2.gz MFFNDZPZBUMESN-CTASWTNQSA-N -1 1 346.431 2.106 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001600675766 1350114944 /nfs/dbraw/zinc/11/49/44/1350114944.db2.gz PNNYQYRNHSRAJN-JTQLQIEISA-N -1 1 342.277 2.078 20 0 EEADMM Cc1nc(CN2CCN(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC001600700932 1350118246 /nfs/dbraw/zinc/11/82/46/1350118246.db2.gz HLSQXTDEZDGYEB-UHFFFAOYSA-N -1 1 331.441 2.468 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1C(=O)[O-] ZINC001600747233 1350127100 /nfs/dbraw/zinc/12/71/00/1350127100.db2.gz QXHGQRFKIIDDLR-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM Cn1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)[nH]n2)c1 ZINC001600970354 1350179167 /nfs/dbraw/zinc/17/91/67/1350179167.db2.gz CQMJLJDEJZCFOH-UHFFFAOYSA-N -1 1 326.312 2.071 20 0 EEADMM Cn1nccc1C1=CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001601036310 1350195434 /nfs/dbraw/zinc/19/54/34/1350195434.db2.gz HFMVDKJOLBTTCS-UHFFFAOYSA-N -1 1 327.384 2.173 20 0 EEADMM NC(=O)C[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001601148548 1350220334 /nfs/dbraw/zinc/22/03/34/1350220334.db2.gz SUYOCYINYIWGCB-GFCCVEGCSA-N -1 1 343.383 2.127 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](Cc3ccccc3)C2)n1 ZINC001601304724 1350253284 /nfs/dbraw/zinc/25/32/84/1350253284.db2.gz CNUWDSAONMQQPG-HNNXBMFYSA-N -1 1 339.395 2.283 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)Nc1ccc2ccccc2c1)C1CCOCC1 ZINC001601326933 1350258341 /nfs/dbraw/zinc/25/83/41/1350258341.db2.gz ZCLWNVBDRHTSBF-SFHVURJKSA-N -1 1 342.395 2.248 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1ccc(CN2CCCC2)o1)c1ccccc1 ZINC001601454070 1350287030 /nfs/dbraw/zinc/28/70/30/1350287030.db2.gz DLXNDGYMYKLVKI-MRXNPFEDSA-N -1 1 342.395 2.474 20 0 EEADMM O=C([O-])c1cc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)c[nH]1 ZINC001601483716 1350293598 /nfs/dbraw/zinc/29/35/98/1350293598.db2.gz YRAVSSGTGKOLRE-MRXNPFEDSA-N -1 1 341.411 2.497 20 0 EEADMM O=C([O-])c1cc(NC(=O)Nc2c[nH]nn2)c(Br)cc1F ZINC001601581133 1350312078 /nfs/dbraw/zinc/31/20/78/1350312078.db2.gz MHPCLXUNVLNLAZ-UHFFFAOYSA-N -1 1 344.100 2.049 20 0 EEADMM O=C([O-])[C@@H]1CC(=O)N(CNC2(c3ccc(F)cc3F)CCCC2)C1 ZINC001601759336 1350358608 /nfs/dbraw/zinc/35/86/08/1350358608.db2.gz NFAQZWAGNJDMIS-LLVKDONJSA-N -1 1 338.354 2.214 20 0 EEADMM O=C([O-])CCN1CCC[C@@H](N2CCC(F)(c3ccccc3)CC2)C1=O ZINC001602013864 1350419316 /nfs/dbraw/zinc/41/93/16/1350419316.db2.gz OYVLBCALWQXNGJ-MRXNPFEDSA-N -1 1 348.418 2.413 20 0 EEADMM O=C([O-])Cn1cc(CCN2CCC[C@H]2c2ccc(F)c(F)c2)nn1 ZINC001602159077 1350454396 /nfs/dbraw/zinc/45/43/96/1350454396.db2.gz HBMQYWCODOVDQG-HNNXBMFYSA-N -1 1 336.342 2.021 20 0 EEADMM O=C([O-])c1cc(-c2nc([C@@H]3CCCN3)no2)n(-c2ccccc2)n1 ZINC001602236100 1350473232 /nfs/dbraw/zinc/47/32/32/1350473232.db2.gz KAEQQMHEFKOVCO-NSHDSACASA-N -1 1 325.328 2.045 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC001602278634 1350484430 /nfs/dbraw/zinc/48/44/30/1350484430.db2.gz FWDBLUQTUMCWTB-LLVKDONJSA-N -1 1 337.339 2.110 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC001602286642 1350486306 /nfs/dbraw/zinc/48/63/06/1350486306.db2.gz SKZVFYBVVBAOGD-UHFFFAOYSA-N -1 1 333.307 2.457 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(N3CCCOC3=O)CC2)c(F)c1 ZINC001602336672 1350497405 /nfs/dbraw/zinc/49/74/05/1350497405.db2.gz LCYOGLBCEVYOKY-UHFFFAOYSA-N -1 1 336.363 2.331 20 0 EEADMM O=C([O-])c1ncccc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001602578736 1350550228 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CC(=O)c1[nH]c(CCN2CCc3c(cccc3C(=O)[O-])C2)nc1C ZINC001603126331 1350646279 /nfs/dbraw/zinc/64/62/79/1350646279.db2.gz LIBAXJXNSRQJQV-UHFFFAOYSA-N -1 1 327.384 2.220 20 0 EEADMM CC(C)N(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001603315726 1350685833 /nfs/dbraw/zinc/68/58/33/1350685833.db2.gz NBWDIOPRAFPHCC-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM CC(C)N(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001603315726 1350685836 /nfs/dbraw/zinc/68/58/36/1350685836.db2.gz NBWDIOPRAFPHCC-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM O=C(Nc1ccc(=O)n(Cc2cccc(F)c2)c1)c1ccc([O-])cn1 ZINC001603385526 1350699211 /nfs/dbraw/zinc/69/92/11/1350699211.db2.gz LKOLUQZIVHIIJM-UHFFFAOYSA-N -1 1 339.326 2.389 20 0 EEADMM CC(C)(C)c1ccccc1NC(=O)CN[C@H](C(=O)[O-])C1CCOCC1 ZINC001603544743 1350718145 /nfs/dbraw/zinc/71/81/45/1350718145.db2.gz HHPJAKPLNLRMJA-KRWDZBQOSA-N -1 1 348.443 2.392 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001603571231 1350722318 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C[C@]1(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC001603815549 1350775168 /nfs/dbraw/zinc/77/51/68/1350775168.db2.gz QPIYPNUINLTLNA-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@]1(NC(=O)c2ccnc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC001603815549 1350775171 /nfs/dbraw/zinc/77/51/71/1350775171.db2.gz QPIYPNUINLTLNA-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@H]1C[C@H](OC(=O)c2sccc2-c2nn[n-]n2)CC(C)(C)C1=O ZINC001603866618 1350787557 /nfs/dbraw/zinc/78/75/57/1350787557.db2.gz BTDRMWCKSLKYJV-IUCAKERBSA-N -1 1 334.401 2.479 20 0 EEADMM C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C[C@H](C)S1 ZINC001603924106 1350803562 /nfs/dbraw/zinc/80/35/62/1350803562.db2.gz ISBXVIDBKLKTDX-AOOOYVTPSA-N -1 1 342.428 2.314 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603956263 1350813734 /nfs/dbraw/zinc/81/37/34/1350813734.db2.gz PUZDDEBYDQCYKT-VIFPVBQESA-N -1 1 327.319 2.358 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603956263 1350813739 /nfs/dbraw/zinc/81/37/39/1350813739.db2.gz PUZDDEBYDQCYKT-VIFPVBQESA-N -1 1 327.319 2.358 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c(F)c1 ZINC001603976775 1350818044 /nfs/dbraw/zinc/81/80/44/1350818044.db2.gz YSBUXSDESYYQTJ-UHFFFAOYSA-N -1 1 341.302 2.213 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC001603976775 1350818052 /nfs/dbraw/zinc/81/80/52/1350818052.db2.gz YSBUXSDESYYQTJ-UHFFFAOYSA-N -1 1 341.302 2.213 20 0 EEADMM CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001603983779 1350819115 /nfs/dbraw/zinc/81/91/15/1350819115.db2.gz WDZGPAVQQXDLDW-FGTMMUONSA-N -1 1 344.455 2.466 20 0 EEADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(OC)c1OC ZINC001604065840 1350844891 /nfs/dbraw/zinc/84/48/91/1350844891.db2.gz ZAAFHNLQRZNTHJ-CYBMUJFWSA-N -1 1 340.387 2.264 20 0 EEADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(OC)c1OC ZINC001604065840 1350844895 /nfs/dbraw/zinc/84/48/95/1350844895.db2.gz ZAAFHNLQRZNTHJ-CYBMUJFWSA-N -1 1 340.387 2.264 20 0 EEADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cn1 ZINC001604070818 1350846544 /nfs/dbraw/zinc/84/65/44/1350846544.db2.gz FMUBDEBQYRFFJC-ZDUSSCGKSA-N -1 1 328.307 2.104 20 0 EEADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cn1 ZINC001604070818 1350846546 /nfs/dbraw/zinc/84/65/46/1350846546.db2.gz FMUBDEBQYRFFJC-ZDUSSCGKSA-N -1 1 328.307 2.104 20 0 EEADMM CCC1(CC)CCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)CC1 ZINC001604084418 1350850874 /nfs/dbraw/zinc/85/08/74/1350850874.db2.gz KUWSPYBANSJBBZ-UHFFFAOYSA-N -1 1 344.419 2.455 20 0 EEADMM CCC1(CC)CCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)CC1 ZINC001604084418 1350850876 /nfs/dbraw/zinc/85/08/76/1350850876.db2.gz KUWSPYBANSJBBZ-UHFFFAOYSA-N -1 1 344.419 2.455 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001604155964 1350878373 /nfs/dbraw/zinc/87/83/73/1350878373.db2.gz MHCILHUXPDRHOH-JQWIXIFHSA-N -1 1 330.392 2.425 20 0 EEADMM CCCN(Cc1ccccc1F)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604215731 1350895112 /nfs/dbraw/zinc/89/51/12/1350895112.db2.gz ROLWVUZFUZOOTJ-UHFFFAOYSA-N -1 1 340.362 2.453 20 0 EEADMM CCCN(Cc1ccccc1F)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604215731 1350895116 /nfs/dbraw/zinc/89/51/16/1350895116.db2.gz ROLWVUZFUZOOTJ-UHFFFAOYSA-N -1 1 340.362 2.453 20 0 EEADMM CCN(c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)[C@H]1CCCOC1 ZINC001604327072 1350916782 /nfs/dbraw/zinc/91/67/82/1350916782.db2.gz KRTAXKWGLGVXAZ-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CCN(c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)[C@H]1CCCOC1 ZINC001604327072 1350916783 /nfs/dbraw/zinc/91/67/83/1350916783.db2.gz KRTAXKWGLGVXAZ-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001604449758 1350940111 /nfs/dbraw/zinc/94/01/11/1350940111.db2.gz XCUWCDOUKFTLQN-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001604449758 1350940112 /nfs/dbraw/zinc/94/01/12/1350940112.db2.gz XCUWCDOUKFTLQN-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CC[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C(F)(F)F ZINC001604499628 1350949635 /nfs/dbraw/zinc/94/96/35/1350949635.db2.gz GZUPFCQNQZDMPT-VIFPVBQESA-N -1 1 338.293 2.419 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2ccccc2C)cc(-c2nnn[n-]2)n1 ZINC001604563028 1350961225 /nfs/dbraw/zinc/96/12/25/1350961225.db2.gz DZRCGFRVAUYCEF-LBPRGKRZSA-N -1 1 339.403 2.407 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2ccccc2C)cc(-c2nn[n-]n2)n1 ZINC001604563028 1350961228 /nfs/dbraw/zinc/96/12/28/1350961228.db2.gz DZRCGFRVAUYCEF-LBPRGKRZSA-N -1 1 339.403 2.407 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C[C@H](O)c1cccc(Cl)c1 ZINC001604712663 1350990036 /nfs/dbraw/zinc/99/00/36/1350990036.db2.gz UINFABLJOSLPMW-OLFNHAQQSA-N -1 1 339.819 2.468 20 0 EEADMM C[C@@H]1CCN(CC(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)C1 ZINC001604753459 1350996945 /nfs/dbraw/zinc/99/69/45/1350996945.db2.gz XNKRXWAHDJRCLM-LPMFXHHGSA-N -1 1 330.428 2.322 20 0 EEADMM C[C@@H]1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001604754238 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COC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c(C)c1 ZINC001604974079 1351043044 /nfs/dbraw/zinc/04/30/44/1351043044.db2.gz AOLNJZGRFSQRJV-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM CC[C@@H](CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(OC)cc1 ZINC001604981032 1351044720 /nfs/dbraw/zinc/04/47/20/1351044720.db2.gz RNXLDOIVNNLIQU-BLLLJJGKSA-N -1 1 345.399 2.114 20 0 EEADMM COCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)o2)CCCCC1 ZINC001605079802 1351073607 /nfs/dbraw/zinc/07/36/07/1351073607.db2.gz IFSPGUJUBUOLNT-UHFFFAOYSA-N -1 1 333.392 2.177 20 0 EEADMM COCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCCCC1 ZINC001605079802 1351073612 /nfs/dbraw/zinc/07/36/12/1351073612.db2.gz IFSPGUJUBUOLNT-UHFFFAOYSA-N -1 1 333.392 2.177 20 0 EEADMM CC[C@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccccc1OC ZINC001605091465 1351076237 /nfs/dbraw/zinc/07/62/37/1351076237.db2.gz LNMHBOUYESBPHT-LSDHHAIUSA-N -1 1 334.416 2.202 20 0 EEADMM CC[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1nnc2n1CCCCC2 ZINC001605095409 1351077403 /nfs/dbraw/zinc/07/74/03/1351077403.db2.gz FSFLOSHSPQREFC-JBLDHEPKSA-N -1 1 328.363 2.011 20 0 EEADMM CC[C@]1(O)CCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001605150141 1351089015 /nfs/dbraw/zinc/08/90/15/1351089015.db2.gz WVYAJUOBINERSI-AWEZNQCLSA-N -1 1 328.206 2.494 20 0 EEADMM COc1cc(Cl)ccc1Cn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001605223027 1351108825 /nfs/dbraw/zinc/10/88/25/1351108825.db2.gz KHDLUHGIOXUKPK-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM COc1ncc(NC(=O)N2CCC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC001605347646 1351142892 /nfs/dbraw/zinc/14/28/92/1351142892.db2.gz QBFCYTIEFRSSKZ-UHFFFAOYSA-N -1 1 343.391 2.068 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccco1 ZINC001605426351 1351156416 /nfs/dbraw/zinc/15/64/16/1351156416.db2.gz XJQKXKCVYWFERT-HNNXBMFYSA-N -1 1 345.399 2.115 20 0 EEADMM C[C@]12CN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605451095 1351160744 /nfs/dbraw/zinc/16/07/44/1351160744.db2.gz ODRQQOXEHLVUAH-GWSNDMCOSA-N -1 1 345.410 2.458 20 0 EEADMM C[C@]12CN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001605451095 1351160748 /nfs/dbraw/zinc/16/07/48/1351160748.db2.gz ODRQQOXEHLVUAH-GWSNDMCOSA-N -1 1 345.410 2.458 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)ccn1C(C)C ZINC001605480636 1351167937 /nfs/dbraw/zinc/16/79/37/1351167937.db2.gz COPXXRSCPIUDDM-UHFFFAOYSA-N -1 1 340.391 2.410 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCCOc2ccc(F)cc2)n1 ZINC001605558152 1351190304 /nfs/dbraw/zinc/19/03/04/1351190304.db2.gz YGPPZJZEHYUKMF-UHFFFAOYSA-N -1 1 343.366 2.010 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCCOc2ccc(F)cc2)n1 ZINC001605558152 1351190306 /nfs/dbraw/zinc/19/03/06/1351190306.db2.gz YGPPZJZEHYUKMF-UHFFFAOYSA-N -1 1 343.366 2.010 20 0 EEADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1-c1nn[nH]n1 ZINC001605823050 1351228987 /nfs/dbraw/zinc/22/89/87/1351228987.db2.gz BLLFGUVBHHYGFM-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1ccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC001605839139 1351232637 /nfs/dbraw/zinc/23/26/37/1351232637.db2.gz ZQBHYRQNRFQDTI-UHFFFAOYSA-N -1 1 345.432 2.369 20 0 EEADMM Cc1ccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC001605839139 1351232638 /nfs/dbraw/zinc/23/26/38/1351232638.db2.gz ZQBHYRQNRFQDTI-UHFFFAOYSA-N -1 1 345.432 2.369 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C)c2)cc1 ZINC001605875574 1351243893 /nfs/dbraw/zinc/24/38/93/1351243893.db2.gz QHXIYWQDGVNAHE-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1n[nH]c2c1CCCC2 ZINC001605881309 1351245031 /nfs/dbraw/zinc/24/50/31/1351245031.db2.gz MKCSZONPVKUXJO-UHFFFAOYSA-N -1 1 332.356 2.428 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC001605883406 1351246011 /nfs/dbraw/zinc/24/60/11/1351246011.db2.gz VXFQQCNTXYWZEM-BDJLRTHQSA-N -1 1 330.384 2.287 20 0 EEADMM CN(C)[C@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccsc1 ZINC001606011895 1351263113 /nfs/dbraw/zinc/26/31/13/1351263113.db2.gz CPDNXYRXYRDNEB-CYBMUJFWSA-N -1 1 337.401 2.141 20 0 EEADMM CN(C)c1cccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)n1 ZINC001606061665 1351267557 /nfs/dbraw/zinc/26/75/57/1351267557.db2.gz RYIGYNLIDAATMA-UHFFFAOYSA-N -1 1 328.416 2.273 20 0 EEADMM Clc1cc2c(s1)CCC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001606190095 1351284038 /nfs/dbraw/zinc/28/40/38/1351284038.db2.gz UMFCTISGZQBTAL-QMMMGPOBSA-N -1 1 333.808 2.283 20 0 EEADMM FC(F)(F)Oc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001606290636 1351289329 /nfs/dbraw/zinc/28/93/29/1351289329.db2.gz JTSDOJRYNRSVOX-UHFFFAOYSA-N -1 1 338.249 2.134 20 0 EEADMM Fc1ccc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c(F)c1 ZINC001606317000 1351292028 /nfs/dbraw/zinc/29/20/28/1351292028.db2.gz QFYXPTUZZKIDPV-AWEZNQCLSA-N -1 1 329.314 2.498 20 0 EEADMM Fc1ccc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c(F)c1 ZINC001606317000 1351292030 /nfs/dbraw/zinc/29/20/30/1351292030.db2.gz QFYXPTUZZKIDPV-AWEZNQCLSA-N -1 1 329.314 2.498 20 0 EEADMM O=C(C=Cc1ccsc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606487360 1351310576 /nfs/dbraw/zinc/31/05/76/1351310576.db2.gz NFJYUDNJXLRSLY-RJRFIUFISA-N -1 1 327.373 2.181 20 0 EEADMM COC(=O)c1cc(CN[C@](C)(CC(=O)[O-])c2ccncc2)c(C)o1 ZINC001606542244 1351320050 /nfs/dbraw/zinc/32/00/50/1351320050.db2.gz DQCHPUVIXWHKSQ-QGZVFWFLSA-N -1 1 332.356 2.249 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC001606578131 1351325353 /nfs/dbraw/zinc/32/53/53/1351325353.db2.gz SFWVIYOLFZTGIK-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM COC(=O)c1cccc([C@@H](NCc2cnn3ccccc23)C(=O)[O-])c1 ZINC001606611742 1351331517 /nfs/dbraw/zinc/33/15/17/1351331517.db2.gz RSUMHJAVYYEFFG-MRXNPFEDSA-N -1 1 339.351 2.036 20 0 EEADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606721900 1351346278 /nfs/dbraw/zinc/34/62/78/1351346278.db2.gz DOGCBSLZDZAFKL-LLVKDONJSA-N -1 1 345.378 2.085 20 0 EEADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606721900 1351346284 /nfs/dbraw/zinc/34/62/84/1351346284.db2.gz DOGCBSLZDZAFKL-LLVKDONJSA-N -1 1 345.378 2.085 20 0 EEADMM COCCN(CCOc1cccc(C(=O)[O-])c1)Cc1ccccn1 ZINC001606889690 1351369993 /nfs/dbraw/zinc/36/99/93/1351369993.db2.gz CWKMGPCQNQIWSN-UHFFFAOYSA-N -1 1 330.384 2.307 20 0 EEADMM O=C(Nc1cc2ccccn2n1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606902086 1351372022 /nfs/dbraw/zinc/37/20/22/1351372022.db2.gz CIHZRBZPSAXNEK-UHFFFAOYSA-N -1 1 344.338 2.248 20 0 EEADMM O=C(Nc1cnc2ccccn21)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606946266 1351382103 /nfs/dbraw/zinc/38/21/03/1351382103.db2.gz PBJWGLWYEONZAB-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(Nc1cnc2ccccn21)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606946266 1351382106 /nfs/dbraw/zinc/38/21/06/1351382106.db2.gz PBJWGLWYEONZAB-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(O[C@@H]1CCN(c2ccccc2)C1)c1sccc1-c1nn[n-]n1 ZINC001606963323 1351385909 /nfs/dbraw/zinc/38/59/09/1351385909.db2.gz AUPOFRZXLUQOGT-GFCCVEGCSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCc2c(F)c(F)cc(F)c21 ZINC001607017491 1351398581 /nfs/dbraw/zinc/39/85/81/1351398581.db2.gz URTQGVSGOJNCJM-UHFFFAOYSA-N -1 1 349.272 2.470 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(Cc1ccccc1)CC(F)F ZINC001607025616 1351399939 /nfs/dbraw/zinc/39/99/39/1351399939.db2.gz KQZVWDKBMVDDGX-UHFFFAOYSA-N -1 1 344.325 2.169 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(Cc1ccccc1)CC(F)F ZINC001607025616 1351399944 /nfs/dbraw/zinc/39/99/44/1351399944.db2.gz KQZVWDKBMVDDGX-UHFFFAOYSA-N -1 1 344.325 2.169 20 0 EEADMM c1ccc2c(c1)CC[C@@H]2c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001607116519 1351425346 /nfs/dbraw/zinc/42/53/46/1351425346.db2.gz NSUBLOFTAAPWGK-LBPRGKRZSA-N -1 1 331.339 2.390 20 0 EEADMM c1ccc2c(c1)CC[C@@H]2c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001607116519 1351425357 /nfs/dbraw/zinc/42/53/57/1351425357.db2.gz NSUBLOFTAAPWGK-LBPRGKRZSA-N -1 1 331.339 2.390 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(SCc2cccc3c2OCCO3)c1 ZINC001607120144 1351426318 /nfs/dbraw/zinc/42/63/18/1351426318.db2.gz NVPRVTXJLHBCFZ-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(SCc2cccc3c2OCCO3)c1 ZINC001607120144 1351426321 /nfs/dbraw/zinc/42/63/21/1351426321.db2.gz NVPRVTXJLHBCFZ-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM c1nn(-c2ccccc2)nc1CSc1cccnc1-c1nnn[n-]1 ZINC001607127491 1351430027 /nfs/dbraw/zinc/43/00/27/1351430027.db2.gz XZNKKQXBFHTNKY-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nn(-c2ccccc2)nc1CSc1cccnc1-c1nn[n-]n1 ZINC001607127491 1351430031 /nfs/dbraw/zinc/43/00/31/1351430031.db2.gz XZNKKQXBFHTNKY-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607128810 1351431229 /nfs/dbraw/zinc/43/12/29/1351431229.db2.gz HCDIKJDIDBKQKY-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607128810 1351431232 /nfs/dbraw/zinc/43/12/32/1351431232.db2.gz HCDIKJDIDBKQKY-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N1CC[C@]2(C1)CCCOC2 ZINC001607131632 1351433334 /nfs/dbraw/zinc/43/33/34/1351433334.db2.gz LCUWEGXXEZYOEK-SFHVURJKSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N1CC[C@]2(C1)CCCOC2 ZINC001607131632 1351433336 /nfs/dbraw/zinc/43/33/36/1351433336.db2.gz LCUWEGXXEZYOEK-SFHVURJKSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3ccnc(-c4nn[n-]n4)n3)CC1)O2 ZINC001607132327 1351434016 /nfs/dbraw/zinc/43/40/16/1351434016.db2.gz CIMPPBMOSJSFEY-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM COc1cccc([C@@H](NCc2cn(C)nc2C(F)(F)F)C(=O)[O-])c1 ZINC001607312692 1351470907 /nfs/dbraw/zinc/47/09/07/1351470907.db2.gz HYVVZCQXFDMWLQ-GFCCVEGCSA-N -1 1 343.305 2.363 20 0 EEADMM COc1cccc([C@@H](N)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001607312078 1351471211 /nfs/dbraw/zinc/47/12/11/1351471211.db2.gz CROXHPGNWCFISN-QGZVFWFLSA-N -1 1 328.368 2.351 20 0 EEADMM COc1cccc2c1CC[C@]2(N)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001607333395 1351476527 /nfs/dbraw/zinc/47/65/27/1351476527.db2.gz DHESNJVVRJNQSB-GOSISDBHSA-N -1 1 344.342 2.271 20 0 EEADMM CSCc1nnc(C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])[n-]1 ZINC001607400880 1351488208 /nfs/dbraw/zinc/48/82/08/1351488208.db2.gz SIEIJHCUZJFOCX-UHFFFAOYSA-N -1 1 331.401 2.137 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@H](N3CCCCC3=O)C2)n1C ZINC001607511901 1351508231 /nfs/dbraw/zinc/50/82/31/1351508231.db2.gz NGXMJCMPCDRGOP-AWEZNQCLSA-N -1 1 333.432 2.009 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001607616421 1351525884 /nfs/dbraw/zinc/52/58/84/1351525884.db2.gz JYOMZLCKHLPKLC-UHFFFAOYSA-N -1 1 345.399 2.329 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001607633181 1351529592 /nfs/dbraw/zinc/52/95/92/1351529592.db2.gz GXOYPLBDKLXCOG-OAHLLOKOSA-N -1 1 341.319 2.006 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC001607739778 1351549449 /nfs/dbraw/zinc/54/94/49/1351549449.db2.gz RYDPFQSHHULCFR-KZULUSFZSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC001607739778 1351549452 /nfs/dbraw/zinc/54/94/52/1351549452.db2.gz RYDPFQSHHULCFR-KZULUSFZSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1cnn(C)c1S(=O)(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001607917126 1351585092 /nfs/dbraw/zinc/58/50/92/1351585092.db2.gz UOIRDLGAEPLVFW-UHFFFAOYSA-N -1 1 347.755 2.020 20 0 EEADMM Cc1n[nH]c2cc(NS(=O)(=O)c3ccsc3C(=O)[O-])ccc12 ZINC001607938820 1351589604 /nfs/dbraw/zinc/58/96/04/1351589604.db2.gz BDUKYRZRVKNQFW-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3ccsc3C(=O)[O-])ccc12 ZINC001607938820 1351589609 /nfs/dbraw/zinc/58/96/09/1351589609.db2.gz BDUKYRZRVKNQFW-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM O=C([O-])c1ccc(CNCCNC(=O)CCCc2ccccc2)nc1 ZINC001608305247 1351667111 /nfs/dbraw/zinc/66/71/11/1351667111.db2.gz HWMLGLXWWRINOZ-UHFFFAOYSA-N -1 1 341.411 2.009 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(CC(=O)Nc2cccc(F)c2)C1 ZINC001608327972 1351671365 /nfs/dbraw/zinc/67/13/65/1351671365.db2.gz MULUVUZWKKSUNP-LJQANCHMSA-N -1 1 342.370 2.493 20 0 EEADMM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001608408685 1351688669 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EEADMM COc1ccc(C)nc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001579991300 1403804677 /nfs/dbraw/zinc/80/46/77/1403804677.db2.gz SHXDEVSTCZCHDX-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM COc1ccc(C)nc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001579991300 1403804679 /nfs/dbraw/zinc/80/46/79/1403804679.db2.gz SHXDEVSTCZCHDX-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM COc1cccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1C ZINC001580060979 1403818899 /nfs/dbraw/zinc/81/88/99/1403818899.db2.gz JGXBVGUPHHBQQA-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM COc1cccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1C ZINC001580060979 1403818915 /nfs/dbraw/zinc/81/89/15/1403818915.db2.gz JGXBVGUPHHBQQA-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM CCCC[C@H](SCc1nc(-c2nn[n-]n2)cs1)C(=O)OC ZINC001590581402 1403888422 /nfs/dbraw/zinc/88/84/22/1403888422.db2.gz BLWMGQBCAGOPHH-VIFPVBQESA-N -1 1 327.435 2.288 20 0 EEADMM CCCC[C@H](SCc1nc(-c2nnn[n-]2)cs1)C(=O)OC ZINC001590581402 1403888413 /nfs/dbraw/zinc/88/84/13/1403888413.db2.gz 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COC(=O)c1cc([N-]S(=O)(=O)CCC(F)(F)F)c(F)cc1F ZINC000171332716 1405729274 /nfs/dbraw/zinc/72/92/74/1405729274.db2.gz MJKAZDDSKVQQLE-UHFFFAOYSA-N -1 1 347.261 2.446 20 0 EEADMM Cc1cccc(F)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000179919107 1405816750 /nfs/dbraw/zinc/81/67/50/1405816750.db2.gz PLAXZJGUUWGVCR-UHFFFAOYSA-N -1 1 328.303 2.032 20 0 EEADMM Cc1cccc(F)c1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000179919107 1405816757 /nfs/dbraw/zinc/81/67/57/1405816757.db2.gz PLAXZJGUUWGVCR-UHFFFAOYSA-N -1 1 328.303 2.032 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC001771641226 1409811055 /nfs/dbraw/zinc/81/10/55/1409811055.db2.gz IJGSHNFUCOIEQC-DGCLKSJQSA-N -1 1 349.399 2.455 20 0 EEADMM O=C(Cc1ccc(F)c(F)c1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000445969577 1409870594 /nfs/dbraw/zinc/87/05/94/1409870594.db2.gz QYJRTNGWIGPPEZ-UHFFFAOYSA-N -1 1 345.309 2.238 20 0 EEADMM O=C([N-][C@@H]1CCO[C@H]1c1cnn(CC2CC2)c1)C(F)(F)C(F)F ZINC000855084171 1410394303 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O=C(CC1CCCCC1)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979665165 770809371 /nfs/dbraw/zinc/80/93/71/770809371.db2.gz POBWTZCUAJEJRD-SHTZXODSSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979669962 770819241 /nfs/dbraw/zinc/81/92/41/770819241.db2.gz AHWYTFMRSXZPJD-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673522 770828522 /nfs/dbraw/zinc/82/85/22/770828522.db2.gz PAZMQJNISJXGTO-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979678993 770871967 /nfs/dbraw/zinc/87/19/67/770871967.db2.gz IJXBTNLGUGVAPR-MELADBBJSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@@H](F)CN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001089626101 773572808 /nfs/dbraw/zinc/57/28/08/773572808.db2.gz YUMPQPZGJSNMGF-OLZOCXBDSA-N -1 1 340.443 2.392 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC000068452691 774562868 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O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCCC2(CC2)C1 ZINC000940436813 778658246 /nfs/dbraw/zinc/65/82/46/778658246.db2.gz XXJDPDLNGZPGNU-UONOGXRCSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1ccc2c(CC(=O)NCCc3n[n-]c(=S)n3C)c[nH]c2c1 ZINC000067051162 779782049 /nfs/dbraw/zinc/78/20/49/779782049.db2.gz WCEWFJSKIWDTKS-UHFFFAOYSA-N -1 1 329.429 2.169 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000941104503 779870199 /nfs/dbraw/zinc/87/01/99/779870199.db2.gz HVUVHCBHUUSBBZ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM COc1ccc(-c2cc(C(=O)[N-]N3Cc4ccccc4C3=O)n[nH]2)cc1 ZINC000183807049 781807530 /nfs/dbraw/zinc/80/75/30/781807530.db2.gz HEOZTLACESKZMK-UHFFFAOYSA-N -1 1 348.362 2.386 20 0 EEADMM CC(C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C)=C1CCC1 ZINC000945287832 783780605 /nfs/dbraw/zinc/78/06/05/783780605.db2.gz ISYNHWBNPRMQPG-WFASDCNBSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000816741215 784230912 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Cc1ccc(NC2(CNC(=O)c3ncccc3[O-])CCCCC2)nn1 ZINC001093388607 795134870 /nfs/dbraw/zinc/13/48/70/795134870.db2.gz BFBRAYGFGSRUBG-UHFFFAOYSA-N -1 1 341.415 2.430 20 0 EEADMM C=C/C(C)=C/CC(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082023953 797082002 /nfs/dbraw/zinc/08/20/02/797082002.db2.gz BLLXPZAWZAGZGH-HNRFISLBSA-N -1 1 343.427 2.421 20 0 EEADMM Cc1occc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002129232 797607618 /nfs/dbraw/zinc/60/76/18/797607618.db2.gz XDUDLEJCZOQAGF-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1 ZINC001175351752 798084895 /nfs/dbraw/zinc/08/48/95/798084895.db2.gz UMCPKPOVBKUCIT-UHFFFAOYSA-N -1 1 332.429 2.373 20 0 EEADMM COc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cc1O ZINC001176259316 798409122 /nfs/dbraw/zinc/40/91/22/798409122.db2.gz GBJVVUNBUQPXLI-UHFFFAOYSA-N -1 1 338.341 2.116 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2ncnc3ccccc32)C1 ZINC001065244847 798818958 /nfs/dbraw/zinc/81/89/58/798818958.db2.gz FGLJZNNOYMMPQH-IBGZPJMESA-N -1 1 349.394 2.129 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H]([C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003115613 799245650 /nfs/dbraw/zinc/24/56/50/799245650.db2.gz QTFCSOMLVKUFPR-CABCVRRESA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1ncncc1Cl ZINC001065839617 799618997 /nfs/dbraw/zinc/61/89/97/799618997.db2.gz XCBPHYRHERVHOF-MNOVXSKESA-N -1 1 347.806 2.051 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079294 799975788 /nfs/dbraw/zinc/97/57/88/799975788.db2.gz WQTBSUDLVMGXRP-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)C2(CCF)CC2)CC1)c1ncccc1[O-] ZINC001066078859 799975897 /nfs/dbraw/zinc/97/58/97/799975897.db2.gz ORHJOEHZXMSGHG-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM CN(C(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)C1(C)COC1 ZINC001181015100 800635004 /nfs/dbraw/zinc/63/50/04/800635004.db2.gz UNTZPOBYDAWOPH-LBPRGKRZSA-N -1 1 344.333 2.044 20 0 EEADMM CN(C[C@H]1CCN1Cc1ccc(Cl)nc1)C(=O)c1ncccc1[O-] ZINC001085562548 800788228 /nfs/dbraw/zinc/78/82/28/800788228.db2.gz OGDDKDRTBVEMIY-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)C2CCCC2)CC1 ZINC001004075796 800918291 /nfs/dbraw/zinc/91/82/91/800918291.db2.gz FMRZAQZYVWFJAJ-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@H](CCCCNc1cnc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001090079860 801243499 /nfs/dbraw/zinc/24/34/99/801243499.db2.gz OJCNLMNWSALWEY-LLVKDONJSA-N -1 1 333.367 2.117 20 0 EEADMM O=C(COc1nc2ccccc2s1)Nc1n[n-]c(C(F)(F)F)n1 ZINC001182696391 801311024 /nfs/dbraw/zinc/31/10/24/801311024.db2.gz OJXLLPVVWQPBMQ-UHFFFAOYSA-N -1 1 343.290 2.451 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)C3(c4ccccc4)CCC(=O)CC3)c1-2 ZINC001182882843 801384014 /nfs/dbraw/zinc/38/40/14/801384014.db2.gz SIJYKYHSRRWZIF-UHFFFAOYSA-N -1 1 349.394 2.054 20 0 EEADMM [O-]C(Nc1ccncc1Oc1ccccc1)=C(CO)C(F)(F)F ZINC001183280346 801532370 /nfs/dbraw/zinc/53/23/70/801532370.db2.gz SKWDNTXQOXLVLE-LLVKDONJSA-N -1 1 326.274 2.405 20 0 EEADMM CC(=O)N1CCCC[C@H]1CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001184122697 801879503 /nfs/dbraw/zinc/87/95/03/801879503.db2.gz HQDPPVKBGLKQOI-HNNXBMFYSA-N -1 1 342.399 2.308 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC001184226355 801935838 /nfs/dbraw/zinc/93/58/38/801935838.db2.gz SGKZTSTVIXQHKO-UHFFFAOYSA-N -1 1 348.370 2.099 20 0 EEADMM COc1ncc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001184664074 802124579 /nfs/dbraw/zinc/12/45/79/802124579.db2.gz MKGPGHDFVCHQLH-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C1(CC2CCC2)CCOCC1 ZINC001185201119 802392623 /nfs/dbraw/zinc/39/26/23/802392623.db2.gz UCKNFIJBHXYRLN-UHFFFAOYSA-N -1 1 336.348 2.211 20 0 EEADMM C[C@H]1CCN(C(=O)C2(C)CC=CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004768150 802854856 /nfs/dbraw/zinc/85/48/56/802854856.db2.gz NOFZTPKGYYGVBI-UONOGXRCSA-N -1 1 343.427 2.110 20 0 EEADMM Cc1cscc1C(=O)N1CCCC[C@@H]1[C@@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004797873 802947155 /nfs/dbraw/zinc/94/71/55/802947155.db2.gz DDYGYHMXVXQYIT-DGCLKSJQSA-N -1 1 349.460 2.053 20 0 EEADMM C[C@@H](CNc1cc(Cl)nc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001108322842 803312203 /nfs/dbraw/zinc/31/22/03/803312203.db2.gz DEPHLOJKMDXCRG-VIFPVBQESA-N -1 1 347.806 2.338 20 0 EEADMM Cc1cc(N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001108932765 804702355 /nfs/dbraw/zinc/70/23/55/804702355.db2.gz DVWREUWEHXGHAG-CYBMUJFWSA-N -1 1 343.431 2.264 20 0 EEADMM C[C@@H](CN(C)c1nc2cc(F)ccc2o1)NC(=O)c1ncccc1[O-] ZINC001108933470 804703666 /nfs/dbraw/zinc/70/36/66/804703666.db2.gz ONMXNMPUCCDSPT-JTQLQIEISA-N -1 1 344.346 2.322 20 0 EEADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](C)Nc1cccc(F)n1 ZINC001113319866 808721964 /nfs/dbraw/zinc/72/19/64/808721964.db2.gz SYHSFRJAEOBWGH-VHSXEESVSA-N -1 1 345.378 2.213 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(-c3ncnn3C)cc2)[n-]1 ZINC000790923181 808978124 /nfs/dbraw/zinc/97/81/24/808978124.db2.gz RRLJRTKAWTWKJU-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(-c3ncnn3C)cc2)c[n-]1 ZINC000790923181 808978128 /nfs/dbraw/zinc/97/81/28/808978128.db2.gz RRLJRTKAWTWKJU-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCOc3ccc(Cl)cc3)ccnc1-2 ZINC000791089732 809067223 /nfs/dbraw/zinc/06/72/23/809067223.db2.gz QKGGTCUIOFLCHO-UHFFFAOYSA-N -1 1 345.790 2.196 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000791148980 809080734 /nfs/dbraw/zinc/08/07/34/809080734.db2.gz FAAIAULKDQAJDW-LBPRGKRZSA-N -1 1 349.431 2.024 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)CSc3ccc(F)c(F)c3)ccnc1-2 ZINC000791285314 809172556 /nfs/dbraw/zinc/17/25/56/809172556.db2.gz HXHPIYCBUKZSSN-UHFFFAOYSA-N -1 1 334.351 2.351 20 0 EEADMM CCCc1cc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc(CCC)n1 ZINC001170217683 809819721 /nfs/dbraw/zinc/81/97/21/809819721.db2.gz SRFJIWOMUSGVDK-UHFFFAOYSA-N -1 1 329.364 2.154 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)nc3ccc(Cl)nc32)[n-]1 ZINC001170226295 809844767 /nfs/dbraw/zinc/84/47/67/809844767.db2.gz GACDBPXKBYJBJX-UHFFFAOYSA-N -1 1 349.141 2.447 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)nc3c2SCCC3)[n-]1 ZINC001170226138 809845051 /nfs/dbraw/zinc/84/50/51/809845051.db2.gz CTMHLEOAAPFMHV-UHFFFAOYSA-N -1 1 335.780 2.284 20 0 EEADMM COC(=O)c1cc(Nc2[n-]c(=O)nc3nc[nH]c32)nc(C(C)(C)C)c1 ZINC001170227238 809845919 /nfs/dbraw/zinc/84/59/19/809845919.db2.gz HYEVYKSNJZFIQJ-UHFFFAOYSA-N -1 1 342.359 2.281 20 0 EEADMM CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000793509579 810375012 /nfs/dbraw/zinc/37/50/12/810375012.db2.gz QXSFBMCPHIVLIT-BXUZGUMPSA-N -1 1 348.447 2.245 20 0 EEADMM Cc1cccc(-n2cc([O-])c(C(=O)O[C@H](C)c3nncn3C)n2)c1C ZINC000805556549 811347471 /nfs/dbraw/zinc/34/74/71/811347471.db2.gz BDSYMUICWNLYMZ-GFCCVEGCSA-N -1 1 341.371 2.241 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)c1ccc(OCc2ccccc2)cc1 ZINC000805607008 811371166 /nfs/dbraw/zinc/37/11/66/811371166.db2.gz QJUGIVJJNHWGNL-UHFFFAOYSA-N -1 1 337.335 2.423 20 0 EEADMM O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1)c1cn[n-]n1 ZINC000805607998 811414251 /nfs/dbraw/zinc/41/42/51/811414251.db2.gz VYFCHSQDMCKIFL-INIZCTEOSA-N -1 1 336.351 2.019 20 0 EEADMM C[C@@](NC(=O)N[C@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccccc1 ZINC000797724738 939187622 /nfs/dbraw/zinc/18/76/22/939187622.db2.gz NMBJVCUYAWNWPM-GUYCJALGSA-N -1 1 328.372 2.086 20 0 EEADMM C=C/C=C\CCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573314959 947241254 /nfs/dbraw/zinc/24/12/54/947241254.db2.gz IPKGYAGFVKQPRI-ARJAWSKDSA-N -1 1 325.785 2.230 20 0 EEADMM CCOc1cc(C)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825615705 947260200 /nfs/dbraw/zinc/26/02/00/947260200.db2.gz HJOKHHIRMDZZSC-UHFFFAOYSA-N -1 1 342.359 2.051 20 0 EEADMM CCOc1cc(C)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825615705 947260212 /nfs/dbraw/zinc/26/02/12/947260212.db2.gz HJOKHHIRMDZZSC-UHFFFAOYSA-N -1 1 342.359 2.051 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(C)c2C)c1-c1nnn[n-]1 ZINC000826295903 947855611 /nfs/dbraw/zinc/85/56/11/947855611.db2.gz CFYGQQXQCJFTFC-NSHDSACASA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(C)c2C)c1-c1nn[n-]n1 ZINC000826295903 947855614 /nfs/dbraw/zinc/85/56/14/947855614.db2.gz CFYGQQXQCJFTFC-NSHDSACASA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N(C)Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826342792 947984674 /nfs/dbraw/zinc/98/46/74/947984674.db2.gz AEFRECMKOOEGMJ-UHFFFAOYSA-N -1 1 346.778 2.018 20 0 EEADMM Cc1onc(CC(=O)N(C)Cc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826342792 947984688 /nfs/dbraw/zinc/98/46/88/947984688.db2.gz AEFRECMKOOEGMJ-UHFFFAOYSA-N -1 1 346.778 2.018 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccsc2)c1-c1nnn[n-]1 ZINC000826344931 948016466 /nfs/dbraw/zinc/01/64/66/948016466.db2.gz WYLYESKRFDEAEK-GFCCVEGCSA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccsc2)c1-c1nn[n-]n1 ZINC000826344931 948016473 /nfs/dbraw/zinc/01/64/73/948016473.db2.gz WYLYESKRFDEAEK-GFCCVEGCSA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346115 948034970 /nfs/dbraw/zinc/03/49/70/948034970.db2.gz CRHVJMUAZZBMJE-KOLCDFICSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826346115 948034983 /nfs/dbraw/zinc/03/49/83/948034983.db2.gz CRHVJMUAZZBMJE-KOLCDFICSA-N -1 1 332.408 2.037 20 0 EEADMM COc1cccc(Cl)c1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001570927986 948722946 /nfs/dbraw/zinc/72/29/46/948722946.db2.gz CEIFFADQTXSPHK-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cccc(Cl)c1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001570927986 948722951 /nfs/dbraw/zinc/72/29/51/948722951.db2.gz CEIFFADQTXSPHK-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM Fc1cccc(C(F)(F)CNCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001570934853 948954407 /nfs/dbraw/zinc/95/44/07/948954407.db2.gz NYJMKUKRFBWXSK-UHFFFAOYSA-N -1 1 334.305 2.282 20 0 EEADMM Fc1cccc(C(F)(F)CNCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001570934853 948954416 /nfs/dbraw/zinc/95/44/16/948954416.db2.gz NYJMKUKRFBWXSK-UHFFFAOYSA-N -1 1 334.305 2.282 20 0 EEADMM Brc1ccsc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001570935851 949001683 /nfs/dbraw/zinc/00/16/83/949001683.db2.gz RBVZNVTVRDVJCK-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccsc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001570935851 949001693 /nfs/dbraw/zinc/00/16/93/949001693.db2.gz RBVZNVTVRDVJCK-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC001589599518 949198568 /nfs/dbraw/zinc/19/85/68/949198568.db2.gz YZWCRBLRTGYUHS-KRWDZBQOSA-N -1 1 343.387 2.376 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCc2cccnc21 ZINC001570942780 949308124 /nfs/dbraw/zinc/30/81/24/949308124.db2.gz WAOAALRUPSJBFL-GFCCVEGCSA-N -1 1 340.412 2.060 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N(C)CCCC(=O)[O-])c1ccco1 ZINC001589722933 950434570 /nfs/dbraw/zinc/43/45/70/950434570.db2.gz IXCLKNALSKESNG-CYBMUJFWSA-N -1 1 325.409 2.169 20 0 EEADMM CC1(C)C(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C1(C)C ZINC001575622781 950643822 /nfs/dbraw/zinc/64/38/22/950643822.db2.gz HAZIPSUKJKTAFL-UHFFFAOYSA-N -1 1 334.811 2.327 20 0 EEADMM CCN1CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)[C@H](C)C1 ZINC001589744222 950645106 /nfs/dbraw/zinc/64/51/06/950645106.db2.gz IAGCANDADFHNSH-HUUCEWRRSA-N -1 1 335.448 2.107 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001573878526 950715985 /nfs/dbraw/zinc/71/59/85/950715985.db2.gz SFNCWVRDUPDFCA-GHMZBOCLSA-N -1 1 326.404 2.223 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001573878526 950715992 /nfs/dbraw/zinc/71/59/92/950715992.db2.gz SFNCWVRDUPDFCA-GHMZBOCLSA-N -1 1 326.404 2.223 20 0 EEADMM CC(C)(C)[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(F)cc1 ZINC001602854689 971706485 /nfs/dbraw/zinc/70/64/85/971706485.db2.gz SQWJYRBTYZRFTJ-CQSZACIVSA-N -1 1 331.409 2.002 20 0 EEADMM C[C@H](CNc1ncncc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC001575177072 952397454 /nfs/dbraw/zinc/39/74/54/952397454.db2.gz GPCCLIJMJPNSFZ-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H]1CCCN(Cc2ccc(Br)nc2N)[C@@H]1C(=O)[O-] ZINC001589334089 953977790 /nfs/dbraw/zinc/97/77/90/953977790.db2.gz MDQNWRXCKZXCBB-KWQFWETISA-N -1 1 328.210 2.111 20 0 EEADMM C[C@@H]1CCN(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001589353249 954102015 /nfs/dbraw/zinc/10/20/15/954102015.db2.gz OPCVTNMFKGISMN-HUUCEWRRSA-N -1 1 330.428 2.399 20 0 EEADMM CN(C)Cc1ccnc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001593704685 954148997 /nfs/dbraw/zinc/14/89/97/954148997.db2.gz XWTQKHGPVKNDJG-HNNXBMFYSA-N -1 1 346.362 2.230 20 0 EEADMM O=C([O-])C1(C(=O)OCc2nc[nH]c2C(F)(F)F)CCSCC1 ZINC001594876247 954377591 /nfs/dbraw/zinc/37/75/91/954377591.db2.gz LTZWGEAYFGQBQH-UHFFFAOYSA-N -1 1 338.307 2.070 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCN(CC3CC3)CC2)c2ccccc21 ZINC001594900613 954626900 /nfs/dbraw/zinc/62/69/00/954626900.db2.gz QULQPXJNVGONPI-DLBZAZTESA-N -1 1 343.427 2.037 20 0 EEADMM CN(C)[C@@H](CNC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000874393941 956147857 /nfs/dbraw/zinc/14/78/57/956147857.db2.gz UXBNQDRJJKRTMH-UBHSHLNASA-N -1 1 339.823 2.105 20 0 EEADMM COCCN(CCC(=O)[O-])Cc1cn(-c2ccccc2F)nc1C ZINC000901661416 956410390 /nfs/dbraw/zinc/41/03/90/956410390.db2.gz JQTDNVGRALZCRU-UHFFFAOYSA-N -1 1 335.379 2.243 20 0 EEADMM N[C@@H](c1cn(Cc2ccc(C(=O)[O-])cc2)nn1)c1ccc(F)cc1 ZINC001594654543 956496703 /nfs/dbraw/zinc/49/67/03/956496703.db2.gz RPIZQHGBTJQQSD-MRXNPFEDSA-N -1 1 326.331 2.212 20 0 EEADMM N[C@@H](CC(=O)[O-])c1noc(-c2ccccc2OCc2ccncc2)n1 ZINC001594661229 956539511 /nfs/dbraw/zinc/53/95/11/956539511.db2.gz RZBWVUGTJKNCFS-ZDUSSCGKSA-N -1 1 340.339 2.185 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(Br)cc1 ZINC000042163719 957405612 /nfs/dbraw/zinc/40/56/12/957405612.db2.gz YZVFIOCOGOOFJY-LBPRGKRZSA-N -1 1 341.205 2.327 20 0 EEADMM COCc1ccccc1CNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001594029086 957742612 /nfs/dbraw/zinc/74/26/12/957742612.db2.gz KHHYDMKPWNFVGG-OAHLLOKOSA-N -1 1 348.443 2.026 20 0 EEADMM CCN(C(C)=O)c1nc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cs1 ZINC000391065756 972314565 /nfs/dbraw/zinc/31/45/65/972314565.db2.gz 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ZINC001592583607 978500343 /nfs/dbraw/zinc/50/03/43/978500343.db2.gz VSNSSYRBQQJISS-ZDUSSCGKSA-N -1 1 327.384 2.454 20 0 EEADMM CC[C@@](CNCc1ncc(C(=O)[O-])s1)(C(=O)OC)c1ccccc1 ZINC001595168151 979727522 /nfs/dbraw/zinc/72/75/22/979727522.db2.gz UGQGHQSWYTYAQR-KRWDZBQOSA-N -1 1 348.424 2.452 20 0 EEADMM O=C([O-])[C@@H](NCc1cccc2c1OCCO2)c1ccc2c(c1)CCO2 ZINC000901527303 980354078 /nfs/dbraw/zinc/35/40/78/980354078.db2.gz CYRJXSIZONWWQS-KRWDZBQOSA-N -1 1 341.363 2.308 20 0 EEADMM CC[C@@](O)(CN1CCOc2ccccc2[C@H]1C(=O)[O-])C(F)(F)F ZINC001595325673 980533324 /nfs/dbraw/zinc/53/33/24/980533324.db2.gz AMGWZLPOAXVSDO-GXTWGEPZSA-N -1 1 333.306 2.210 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCC(c2nc(C)no2)CC1 ZINC000903596281 980979928 /nfs/dbraw/zinc/97/99/28/980979928.db2.gz TTZVBWAZHQBMJY-UHFFFAOYSA-N -1 1 331.372 2.464 20 0 EEADMM CC(C)OCc1noc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)n1 ZINC000903906095 981030953 /nfs/dbraw/zinc/03/09/53/981030953.db2.gz CZNNPRLCDBWJTG-IHRRRGAJSA-N -1 1 337.420 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CSCc1nnc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)[nH]1 ZINC001599805624 988249371 /nfs/dbraw/zinc/24/93/71/988249371.db2.gz NDYMNEHXLQJQIG-LBPRGKRZSA-N -1 1 344.799 2.376 20 0 EEADMM CCc1oc(C(=O)[O-])cc1Cn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC001597772733 989241556 /nfs/dbraw/zinc/24/15/56/989241556.db2.gz BBRMPVZWPWMOOU-MRXNPFEDSA-N -1 1 344.346 2.367 20 0 EEADMM CCc1oc(CN[C@@H]2CCCc3c2ccc(=O)n3C)cc1C(=O)[O-] ZINC001597799236 989379710 /nfs/dbraw/zinc/37/97/10/989379710.db2.gz PCFYJIDDDMXLDH-CQSZACIVSA-N -1 1 330.384 2.406 20 0 EEADMM CCc1oc(CNC[C@H]2CS(=O)(=O)c3ccccc32)cc1C(=O)[O-] ZINC001597802554 989401451 /nfs/dbraw/zinc/40/14/51/989401451.db2.gz RKWCVQAXYCCZBM-NSHDSACASA-N -1 1 349.408 2.201 20 0 EEADMM C[C@@H]1C[C@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)O[C@H]1C(=O)[O-] ZINC001599876335 989423637 /nfs/dbraw/zinc/42/36/37/989423637.db2.gz GEYKVMREYZYROK-DIMCTHFVSA-N -1 1 339.298 2.317 20 0 EEADMM CCn1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc2ccccc21 ZINC001597836128 989520749 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EEADMM COc1ccccc1NC(=O)CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001599714221 991425135 /nfs/dbraw/zinc/42/51/35/991425135.db2.gz DUODLAPWVYPMOP-SFHVURJKSA-N -1 1 343.383 2.008 20 0 EEADMM CN(Cc1cn(Cc2cccc(C(=O)[O-])n2)nn1)C1CCCCC1 ZINC001598533899 992825755 /nfs/dbraw/zinc/82/57/55/992825755.db2.gz VDQKUGXFVRVRRU-UHFFFAOYSA-N -1 1 329.404 2.184 20 0 EEADMM C[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1nnc[nH]1 ZINC001593112129 993785443 /nfs/dbraw/zinc/78/54/43/993785443.db2.gz JNHOSCFZGHMGAR-RXMQYKEDSA-N -1 1 327.703 2.178 20 0 EEADMM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1nc2ccc(Cl)cc2[nH]1 ZINC001593140954 993925659 /nfs/dbraw/zinc/92/56/59/993925659.db2.gz BOMAKJNZTVUPNJ-BPTDKIDVSA-N -1 1 337.763 2.026 20 0 EEADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)Nc1ccccc1OC(F)F ZINC001593190748 994126879 /nfs/dbraw/zinc/12/68/79/994126879.db2.gz VTEULRBWLPMBBC-PRHODGIISA-N -1 1 328.315 2.068 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1nnnn1C1CC1 ZINC001593207125 994213607 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ZINC000824640249 607609711 /nfs/dbraw/zinc/60/97/11/607609711.db2.gz DZNIYNPQILCQDR-SNVBAGLBSA-N -1 1 347.375 2.045 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(Cc2ccc(CSC(F)F)o2)CC1 ZINC000833770688 604763234 /nfs/dbraw/zinc/76/32/34/604763234.db2.gz LOXHCBLDDPUBAQ-GFCCVEGCSA-N -1 1 335.372 2.393 20 0 EEADMM Cc1cccc(C2(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])CCCC2)c1 ZINC000833752645 604901537 /nfs/dbraw/zinc/90/15/37/604901537.db2.gz POTZDEMHUUMYOG-INIZCTEOSA-N -1 1 341.411 2.342 20 0 EEADMM COc1cc(CN[C@H](C(=O)[O-])c2cccnc2)cc(OC)c1OC ZINC000831999868 604987358 /nfs/dbraw/zinc/98/73/58/604987358.db2.gz AGJULJMQWMAIMU-HNNXBMFYSA-N -1 1 332.356 2.023 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC000833603029 605105101 /nfs/dbraw/zinc/10/51/01/605105101.db2.gz DELIOXNNQXCTFS-YCPHGPKFSA-N -1 1 348.443 2.343 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000833624466 605162487 /nfs/dbraw/zinc/16/24/87/605162487.db2.gz VAMXRCXXAKXKGC-MFBWXBCUSA-N -1 1 341.411 2.189 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000833624470 605162547 /nfs/dbraw/zinc/16/25/47/605162547.db2.gz VAMXRCXXAKXKGC-PKXJPQMGSA-N -1 1 341.411 2.189 20 0 EEADMM O=C([O-])c1ccccc1OCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000833765487 605184996 /nfs/dbraw/zinc/18/49/96/605184996.db2.gz PYZWVPDFXSLXPZ-UHFFFAOYSA-N -1 1 340.335 2.426 20 0 EEADMM CCOc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833665359 605194714 /nfs/dbraw/zinc/19/47/14/605194714.db2.gz QUUKGTPPKDIBHW-OAHLLOKOSA-N -1 1 344.367 2.182 20 0 EEADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000833465457 605274860 /nfs/dbraw/zinc/27/48/60/605274860.db2.gz KFSZHFJLWBZUEK-YJBOKZPZSA-N -1 1 332.444 2.434 20 0 EEADMM CC(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833397025 605370885 /nfs/dbraw/zinc/37/08/85/605370885.db2.gz UMZUXKVSTHZOPM-ABAIWWIYSA-N -1 1 342.798 2.453 20 0 EEADMM CN(Cc1cc(C(=O)[O-])ccc1F)[C@@H]1CCCN(c2cccnn2)C1 ZINC000833694138 605833068 /nfs/dbraw/zinc/83/30/68/605833068.db2.gz BHBDZOGVQWKNIT-OAHLLOKOSA-N -1 1 344.390 2.415 20 0 EEADMM Cc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822224968 606139655 /nfs/dbraw/zinc/13/96/55/606139655.db2.gz HZQLCSGJKPUMAQ-UHFFFAOYSA-N -1 1 334.382 2.338 20 0 EEADMM Cc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822224968 606139656 /nfs/dbraw/zinc/13/96/56/606139656.db2.gz HZQLCSGJKPUMAQ-UHFFFAOYSA-N -1 1 334.382 2.338 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCC2CCCCC2)n1 ZINC000822614993 606169557 /nfs/dbraw/zinc/16/95/57/606169557.db2.gz ZCYYCBBMPQDMMM-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCC2CCCCC2)n1 ZINC000822614993 606169558 /nfs/dbraw/zinc/16/95/58/606169558.db2.gz ZCYYCBBMPQDMMM-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM O=C(Oc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823455141 606178354 /nfs/dbraw/zinc/17/83/54/606178354.db2.gz WYTZAZAABIFIOF-UHFFFAOYSA-N -1 1 344.352 2.309 20 0 EEADMM O=C(Oc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823455141 606178356 /nfs/dbraw/zinc/17/83/56/606178356.db2.gz WYTZAZAABIFIOF-UHFFFAOYSA-N -1 1 344.352 2.309 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000823289203 606294537 /nfs/dbraw/zinc/29/45/37/606294537.db2.gz FYFNHQPFTRNDTI-IFXJQAMLSA-N -1 1 347.378 2.415 20 0 EEADMM C[S@](=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821943175 606431301 /nfs/dbraw/zinc/43/13/01/606431301.db2.gz TYUYFSSDERFPAV-QHCPKHFHSA-N -1 1 348.819 2.265 20 0 EEADMM C[S@](=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821943175 606431302 /nfs/dbraw/zinc/43/13/02/606431302.db2.gz TYUYFSSDERFPAV-QHCPKHFHSA-N -1 1 348.819 2.265 20 0 EEADMM CC(C)CCn1nccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820081766 606497894 /nfs/dbraw/zinc/49/78/94/606497894.db2.gz UYJVGRBJZDQDKL-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM CC(C)CCn1nccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820081766 606497897 /nfs/dbraw/zinc/49/78/97/606497897.db2.gz UYJVGRBJZDQDKL-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350192 606522380 /nfs/dbraw/zinc/52/23/80/606522380.db2.gz CWELSGSVXWRWPZ-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350192 606522382 /nfs/dbraw/zinc/52/23/82/606522382.db2.gz CWELSGSVXWRWPZ-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM COc1cc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821720293 606555616 /nfs/dbraw/zinc/55/56/16/606555616.db2.gz QMCHPAHQLUYTPE-UHFFFAOYSA-N -1 1 349.347 2.337 20 0 EEADMM COc1cc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821720293 606555617 /nfs/dbraw/zinc/55/56/17/606555617.db2.gz QMCHPAHQLUYTPE-UHFFFAOYSA-N -1 1 349.347 2.337 20 0 EEADMM O=C(NC[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823181902 606557918 /nfs/dbraw/zinc/55/79/18/606557918.db2.gz FNYGUFUZJSMVOV-SNVBAGLBSA-N -1 1 341.396 2.224 20 0 EEADMM O=C(NC[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823181902 606557919 /nfs/dbraw/zinc/55/79/19/606557919.db2.gz FNYGUFUZJSMVOV-SNVBAGLBSA-N -1 1 341.396 2.224 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2ccccc2CC1 ZINC000823488866 606565547 /nfs/dbraw/zinc/56/55/47/606565547.db2.gz WPVBXRSOAHNGTA-UHFFFAOYSA-N -1 1 325.397 2.169 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2ccccc2CC1 ZINC000823488866 606565548 /nfs/dbraw/zinc/56/55/48/606565548.db2.gz WPVBXRSOAHNGTA-UHFFFAOYSA-N -1 1 325.397 2.169 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000820379800 606596899 /nfs/dbraw/zinc/59/68/99/606596899.db2.gz HKVKRSGVAHGQFW-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000820379800 606596900 /nfs/dbraw/zinc/59/69/00/606596900.db2.gz HKVKRSGVAHGQFW-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H](C)[C@@H](C)O)n1 ZINC000822191133 606695770 /nfs/dbraw/zinc/69/57/70/606695770.db2.gz GDWIOMNOJBNSSU-RNFRBKRXSA-N -1 1 333.339 2.450 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H](C)[C@@H](C)O)n1 ZINC000822191134 606695776 /nfs/dbraw/zinc/69/57/76/606695776.db2.gz GDWIOMNOJBNSSU-RQJHMYQMSA-N -1 1 333.339 2.450 20 0 EEADMM CCN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCCC1 ZINC000821153866 606817047 /nfs/dbraw/zinc/81/70/47/606817047.db2.gz FXEJYWPVYFFYHA-UHFFFAOYSA-N -1 1 348.432 2.094 20 0 EEADMM CCOCCC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000821373632 606924593 /nfs/dbraw/zinc/92/45/93/606924593.db2.gz JBBTUQZSFHIAMB-UHFFFAOYSA-N -1 1 345.403 2.292 20 0 EEADMM CCOCCC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000821373632 606924594 /nfs/dbraw/zinc/92/45/94/606924594.db2.gz JBBTUQZSFHIAMB-UHFFFAOYSA-N -1 1 345.403 2.292 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1OC ZINC000820957726 607036629 /nfs/dbraw/zinc/03/66/29/607036629.db2.gz PRMFSJVDAWNVKP-NEPJUHHUSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1OC ZINC000820957726 607036630 /nfs/dbraw/zinc/03/66/30/607036630.db2.gz PRMFSJVDAWNVKP-NEPJUHHUSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824663042 607904398 /nfs/dbraw/zinc/90/43/98/607904398.db2.gz VEHNPUYXVKMPCC-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-n2ccnn2)cc1 ZINC000824663042 607904399 /nfs/dbraw/zinc/90/43/99/607904399.db2.gz VEHNPUYXVKMPCC-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM O=C(O[C@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826462266 607956194 /nfs/dbraw/zinc/95/61/94/607956194.db2.gz SPGHAHWCEJWFBE-HZGVNTEJSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826462266 607956195 /nfs/dbraw/zinc/95/61/95/607956195.db2.gz SPGHAHWCEJWFBE-HZGVNTEJSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c2cccc(F)c12 ZINC000826450934 608075814 /nfs/dbraw/zinc/07/58/14/608075814.db2.gz JEZXPKYPKHVWNM-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM CN(Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825975914 608402989 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/nfs/dbraw/zinc/06/71/47/1214067147.db2.gz FLAMNWNJRSMBQB-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cccc(C(=O)N[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000956663522 1214207185 /nfs/dbraw/zinc/20/71/85/1214207185.db2.gz HUPXDMQARUMCAN-LJQANCHMSA-N -1 1 339.395 2.130 20 0 EEADMM C[C@]1(NC(=O)c2ccc(Cl)o2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956711047 1214277951 /nfs/dbraw/zinc/27/79/51/1214277951.db2.gz ATIYJJOSNDWAPK-INIZCTEOSA-N -1 1 349.774 2.068 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC000959212906 1214346656 /nfs/dbraw/zinc/34/66/56/1214346656.db2.gz BULHKUOBIFHEIY-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cccc(C(=O)N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)c1 ZINC000956849787 1214526520 /nfs/dbraw/zinc/52/65/20/1214526520.db2.gz YOPLDNMNJDOXOG-LJQANCHMSA-N -1 1 339.395 2.130 20 0 EEADMM CC(C)(C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000956851450 1214528706 /nfs/dbraw/zinc/52/87/06/1214528706.db2.gz HQMVNSBVWHYSCD-IBGZPJMESA-N -1 1 345.443 2.334 20 0 EEADMM CC(C(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000959471491 1214699282 /nfs/dbraw/zinc/69/92/82/1214699282.db2.gz KQVMCXBBMOIVLB-WFASDCNBSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H](C)C(=O)Nc1ncccc1O ZINC001412934616 1216140499 /nfs/dbraw/zinc/14/04/99/1216140499.db2.gz MINCLKZDHFCFPV-VHSXEESVSA-N -1 1 347.346 2.025 20 0 EEADMM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)C=CCC1 ZINC000965099289 1218893503 /nfs/dbraw/zinc/89/35/03/1218893503.db2.gz UADSHQUSKZNYCC-AUUYWEPGSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1nc(CN2CC[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC000965940641 1219380733 /nfs/dbraw/zinc/38/07/33/1219380733.db2.gz KACNWDOIJVXFCZ-BXUZGUMPSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1nc(CN2CC[C@@H](C)[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC000965940643 1219381148 /nfs/dbraw/zinc/38/11/48/1219381148.db2.gz KACNWDOIJVXFCZ-RISCZKNCSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1nc(CN2CC[C@H](C)[C@@H](NC(=O)c3ncccc3[O-])C2)oc1C ZINC000965941489 1219382538 /nfs/dbraw/zinc/38/25/38/1219382538.db2.gz REBLKLDJTZRIIH-FZMZJTMJSA-N -1 1 344.415 2.032 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)c1ccoc1 ZINC000966952808 1220146729 /nfs/dbraw/zinc/14/67/29/1220146729.db2.gz YDTDPTYGDKJCHX-AWEZNQCLSA-N -1 1 343.383 2.051 20 0 EEADMM CCCC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)c2ncccc2[O-])C1 ZINC001013896375 1225973430 /nfs/dbraw/zinc/97/34/30/1225973430.db2.gz WEBQFAYUMOJFIO-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000967523626 1220595809 /nfs/dbraw/zinc/59/58/09/1220595809.db2.gz GFIHLPRCKVIDKY-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967528431 1220600807 /nfs/dbraw/zinc/60/08/07/1220600807.db2.gz UMYFYBBWSZRIHH-ZIAGYGMSSA-N -1 1 333.432 2.286 20 0 EEADMM CC(F)(F)C(=O)[N-][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C(F)(F)F ZINC001008588165 1222947304 /nfs/dbraw/zinc/94/73/04/1222947304.db2.gz QFFHNQABQXYRSY-RKDXNWHRSA-N -1 1 340.248 2.054 20 0 EEADMM Cc1nc(C(C)C)oc1CN1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001010730641 1223875647 /nfs/dbraw/zinc/87/56/47/1223875647.db2.gz GPOANLSINWNUBY-CYBMUJFWSA-N -1 1 344.415 2.211 20 0 EEADMM O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CCCC1)CC2)c1ncccc1[O-] ZINC001014255634 1226418355 /nfs/dbraw/zinc/41/83/55/1226418355.db2.gz DZOGBYGOXFJPJP-BEFAXECRSA-N -1 1 341.411 2.151 20 0 EEADMM O=C(N[C@@]12CCC[C@@H]1N(C(=O)C1CC=CC1)CC2)c1ncccc1[O-] ZINC001014259129 1226422433 /nfs/dbraw/zinc/42/24/33/1226422433.db2.gz PGOROANFYRIBGZ-HNAYVOBHSA-N -1 1 341.411 2.007 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014261389 1226425360 /nfs/dbraw/zinc/42/53/60/1226425360.db2.gz VZBMZYUAVIGWMV-OHNRDTAOSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014261390 1226425454 /nfs/dbraw/zinc/42/54/54/1226425454.db2.gz VZBMZYUAVIGWMV-RFUYNDQBSA-N -1 1 345.443 2.333 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)CC2=CCCCC2)C1 ZINC001016430861 1226470533 /nfs/dbraw/zinc/47/05/33/1226470533.db2.gz MIJUANZKLSVFTM-UHFFFAOYSA-N -1 1 343.427 2.397 20 0 EEADMM CC(C)c1nccc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001067075584 1226510181 /nfs/dbraw/zinc/51/01/81/1226510181.db2.gz JBCJCLKDYADFNS-STQMWFEESA-N -1 1 341.415 2.273 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)c3ncccc3[O-])C2)o1 ZINC001017958230 1227919485 /nfs/dbraw/zinc/91/94/85/1227919485.db2.gz RUCIGSFADJCOJH-AAEUAGOBSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1[C@@H](NC(=O)[C@@]2(C)CC=CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001020206166 1229552744 /nfs/dbraw/zinc/55/27/44/1229552744.db2.gz PMRNGDOLNMYNCP-NJSLBKSFSA-N -1 1 343.427 2.253 20 0 EEADMM CC(C)c1cc(N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)ncn1 ZINC001040107279 1231026082 /nfs/dbraw/zinc/02/60/82/1231026082.db2.gz YWVRFTBLBSVDEX-STQMWFEESA-N -1 1 341.415 2.416 20 0 EEADMM O=C(Nc1ccccc1N1CCCC1=O)c1cnc(C2CC2)[n-]c1=O ZINC000900026174 1233985064 /nfs/dbraw/zinc/98/50/64/1233985064.db2.gz KMSGCOHCBJCXBQ-UHFFFAOYSA-N -1 1 338.367 2.439 20 0 EEADMM Cc1cc([C@@H](NCc2c3c(nn2C)CCOC3)C(=O)[O-])ccc1Cl ZINC000900033305 1233986633 /nfs/dbraw/zinc/98/66/33/1233986633.db2.gz WWVMSSBAVOUACB-MRXNPFEDSA-N -1 1 349.818 2.370 20 0 EEADMM CCc1nc(C)c(CN2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)o1 ZINC001046261774 1234605715 /nfs/dbraw/zinc/60/57/15/1234605715.db2.gz HFECWPYZGUVTMP-SFHVURJKSA-N -1 1 344.415 2.040 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(CC=C(Cl)Cl)C1 ZINC001046262310 1234606389 /nfs/dbraw/zinc/60/63/89/1234606389.db2.gz OKWMJCZMKJPQHB-AWEZNQCLSA-N -1 1 330.215 2.300 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(Cc2ccc(Cl)nc2)C1 ZINC001046262296 1234606500 /nfs/dbraw/zinc/60/65/00/1234606500.db2.gz ODJXUPKPCQWHQV-KRWDZBQOSA-N -1 1 346.818 2.230 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC001413278655 1235141115 /nfs/dbraw/zinc/14/11/15/1235141115.db2.gz MTGHQKIPCNYFMB-UHFFFAOYSA-N -1 1 344.154 2.133 20 0 EEADMM Cc1nnc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])s1 ZINC000801324619 1235423858 /nfs/dbraw/zinc/42/38/58/1235423858.db2.gz BPPLKIICYJHBQL-UHFFFAOYSA-N -1 1 334.332 2.234 20 0 EEADMM CC(C)[C@@H](C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801324857 1235424164 /nfs/dbraw/zinc/42/41/64/1235424164.db2.gz DRKVBPHEIYLMQC-LLVKDONJSA-N -1 1 349.362 2.035 20 0 EEADMM CCN(CC)C(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326345 1235425991 /nfs/dbraw/zinc/42/59/91/1235425991.db2.gz PAMNHRXSRMWASI-NSHDSACASA-N -1 1 349.362 2.131 20 0 EEADMM COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000801385504 1235483828 /nfs/dbraw/zinc/48/38/28/1235483828.db2.gz PZUTYBMMLDTBLB-CQSZACIVSA-N -1 1 344.342 2.463 20 0 EEADMM CC(C)(C)OC(=O)NCCSCCC[N-]C(=O)C(F)(F)F ZINC000901612249 1236048467 /nfs/dbraw/zinc/04/84/67/1236048467.db2.gz OWQSGNCEUJOZOJ-UHFFFAOYSA-N -1 1 330.372 2.313 20 0 EEADMM CC[C@H](CN(C)CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000901626521 1236067032 /nfs/dbraw/zinc/06/70/32/1236067032.db2.gz DXWNJVPENXMPQM-OAHLLOKOSA-N -1 1 332.444 2.435 20 0 EEADMM Cc1cc(C)c(CN(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000901627184 1236069647 /nfs/dbraw/zinc/06/96/47/1236069647.db2.gz RDNVSTQATNJCTC-MRXNPFEDSA-N -1 1 332.444 2.367 20 0 EEADMM O=S(=O)([N-]c1nnc(C(F)F)[nH]1)c1ccc(OC2CC2)cc1 ZINC000903150292 1239877232 /nfs/dbraw/zinc/87/72/32/1239877232.db2.gz PDFARDLVVYXEAT-UHFFFAOYSA-N -1 1 330.316 2.084 20 0 EEADMM COC(=O)c1cnoc1COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000803288279 1240022269 /nfs/dbraw/zinc/02/22/69/1240022269.db2.gz XRPFEBXGGYWFBI-UHFFFAOYSA-N -1 1 331.284 2.110 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2[C@@H]1CCN2Cc1nccs1 ZINC001049436227 1240909768 /nfs/dbraw/zinc/90/97/68/1240909768.db2.gz BVBXQCVJCSODFQ-STQMWFEESA-N -1 1 344.440 2.123 20 0 EEADMM CC1=CC[C@](C)(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001001546760 1242460043 /nfs/dbraw/zinc/46/00/43/1242460043.db2.gz WRRLAMJPMWVWJZ-IBGZPJMESA-N -1 1 343.427 2.112 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)[C@H]2CC2(C)C)cc1 ZINC001050265550 1243214346 /nfs/dbraw/zinc/21/43/46/1243214346.db2.gz ZSPHXYKONNGUCT-BXUZGUMPSA-N -1 1 343.431 2.023 20 0 EEADMM CC(C)=C(C)CC(=O)N1C[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001053166776 1246004146 /nfs/dbraw/zinc/00/41/46/1246004146.db2.gz NCWJWBVCGUUEQX-HUUCEWRRSA-N -1 1 345.443 2.358 20 0 EEADMM Cc1nc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)c(C)o1 ZINC001052330209 1247025748 /nfs/dbraw/zinc/02/57/48/1247025748.db2.gz PEFXRUAEQYFDLX-CQSZACIVSA-N -1 1 344.415 2.177 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001052420684 1247240942 /nfs/dbraw/zinc/24/09/42/1247240942.db2.gz GWUWWKAPAGSZJM-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)CC1 ZINC001052423082 1247248695 /nfs/dbraw/zinc/24/86/95/1247248695.db2.gz UVLYXRAOBWIOOQ-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](Nc1ncc(F)cn1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058007091 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2.082 20 0 EEADMM Cc1nsc(N2CCN(c3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC001609465599 1351988084 /nfs/dbraw/zinc/98/80/84/1351988084.db2.gz WQSXUESJLFEXNS-UHFFFAOYSA-N -1 1 345.407 2.097 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCSc1ccccc1 ZINC001609467281 1351988449 /nfs/dbraw/zinc/98/84/49/1351988449.db2.gz AIVVDSYCSIGSBM-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCSc1ccccc1 ZINC001609467281 1351988451 /nfs/dbraw/zinc/98/84/51/1351988451.db2.gz AIVVDSYCSIGSBM-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cnc(-c3nnn[n-]3)cn1)CCS2 ZINC001609491451 1351997039 /nfs/dbraw/zinc/99/70/39/1351997039.db2.gz IGZVAEMHSKLMNW-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cnc(-c3nn[n-]n3)cn1)CCS2 ZINC001609491451 1351997041 /nfs/dbraw/zinc/99/70/41/1351997041.db2.gz IGZVAEMHSKLMNW-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM O=C(CCn1ccc2ccccc21)OCc1cccnc1-c1nnn[n-]1 ZINC001609525901 1352004900 /nfs/dbraw/zinc/00/49/00/1352004900.db2.gz VMHDQUQRIPSTDN-UHFFFAOYSA-N -1 1 348.366 2.350 20 0 EEADMM O=C(CCn1ccc2ccccc21)OCc1cccnc1-c1nn[n-]n1 ZINC001609525901 1352004908 /nfs/dbraw/zinc/00/49/08/1352004908.db2.gz VMHDQUQRIPSTDN-UHFFFAOYSA-N -1 1 348.366 2.350 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC001609561210 1352016044 /nfs/dbraw/zinc/01/60/44/1352016044.db2.gz NYRGFHCVKMRXTQ-LBPRGKRZSA-N -1 1 336.355 2.026 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)[C@H]3CCOC[C@H]23)cc1 ZINC001609617188 1352041207 /nfs/dbraw/zinc/04/12/07/1352041207.db2.gz ZMBWPNJSKKQCPY-JZXOWHBKSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)[C@H]3CCOC[C@H]23)cc1 ZINC001609617188 1352041210 /nfs/dbraw/zinc/04/12/10/1352041210.db2.gz ZMBWPNJSKKQCPY-JZXOWHBKSA-N -1 1 348.410 2.271 20 0 EEADMM CC(C)CCn1cccc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609696913 1352061840 /nfs/dbraw/zinc/06/18/40/1352061840.db2.gz FDQVWNHOOKTVIV-OAHLLOKOSA-N -1 1 331.420 2.271 20 0 EEADMM Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CCCCC1 ZINC001338367885 1336849583 /nfs/dbraw/zinc/84/95/83/1336849583.db2.gz HLISOFITTXQLRZ-UHFFFAOYSA-N -1 1 337.387 2.030 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001609907177 1352116954 /nfs/dbraw/zinc/11/69/54/1352116954.db2.gz ADZKJYKBUQSCSP-CYBMUJFWSA-N -1 1 349.431 2.479 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC001346281042 1337482046 /nfs/dbraw/zinc/48/20/46/1337482046.db2.gz WTTFPMDDCHCFCV-SNVBAGLBSA-N -1 1 332.429 2.034 20 0 EEADMM CCN1CCCC[C@H]1C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001610006803 1352139409 /nfs/dbraw/zinc/13/94/09/1352139409.db2.gz FUGUIXQCQYTQNV-QFBILLFUSA-N -1 1 332.444 2.410 20 0 EEADMM Cc1cccc2cc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)c(Cl)nc12 ZINC001350225049 1337683562 /nfs/dbraw/zinc/68/35/62/1337683562.db2.gz SVDOVPYMPAPTOU-NSHDSACASA-N -1 1 342.790 2.339 20 0 EEADMM Cc1c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cccc1-c1ccccn1 ZINC001350234564 1337685507 /nfs/dbraw/zinc/68/55/07/1337685507.db2.gz OPUWINLAKNTUBE-CYBMUJFWSA-N -1 1 334.383 2.200 20 0 EEADMM CCc1nc(CNC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)n[nH]1 ZINC001610071311 1352155482 /nfs/dbraw/zinc/15/54/82/1352155482.db2.gz CFOQKPFRJSJVNN-UHFFFAOYSA-N -1 1 347.375 2.174 20 0 EEADMM CN(C)[C@H]1CCOc2c(NC(=O)c3ccnc(C(=O)[O-])c3)cccc21 ZINC001610099187 1352162387 /nfs/dbraw/zinc/16/23/87/1352162387.db2.gz YOKXPWDJOMRMFX-HNNXBMFYSA-N -1 1 341.367 2.417 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001610125581 1352168017 /nfs/dbraw/zinc/16/80/17/1352168017.db2.gz QOLBVEKUWBGWQA-HZPDHXFCSA-N -1 1 330.428 2.220 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001610337984 1352207689 /nfs/dbraw/zinc/20/76/89/1352207689.db2.gz QZWAHNPUOHBMCW-SCVCMEIPSA-N -1 1 340.807 2.471 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)C(=O)OC(C)(C)C ZINC000848310047 1338663553 /nfs/dbraw/zinc/66/35/53/1338663553.db2.gz VDHANTRMOMCQII-SNVBAGLBSA-N -1 1 337.420 2.322 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001610403690 1352217074 /nfs/dbraw/zinc/21/70/74/1352217074.db2.gz IVWXPLYUMGXWAM-CYBMUJFWSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H]2CCN(c3ccc(C)cc3)C2=O)n1C ZINC001610505972 1352235142 /nfs/dbraw/zinc/23/51/42/1352235142.db2.gz MFXMDZDSBAWXCE-KRWDZBQOSA-N -1 1 341.411 2.235 20 0 EEADMM Cc1ccc2c(CC(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)coc2c1 ZINC001610517110 1352237110 /nfs/dbraw/zinc/23/71/10/1352237110.db2.gz KVIRGVQMDOFFOG-CQSZACIVSA-N -1 1 344.411 2.291 20 0 EEADMM O=C(CN1CCSC2(CCC2)CC1)NC1(C(=O)[O-])CCCCC1 ZINC001610663795 1352258357 /nfs/dbraw/zinc/25/83/57/1352258357.db2.gz HZAHQNRRHWKVSS-UHFFFAOYSA-N -1 1 340.489 2.252 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001610664659 1352258428 /nfs/dbraw/zinc/25/84/28/1352258428.db2.gz WPJMQPJHUKTRIH-UONOGXRCSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC001610664657 1352258453 /nfs/dbraw/zinc/25/84/53/1352258453.db2.gz WPJMQPJHUKTRIH-KBPBESRZSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cn1 ZINC001610821306 1352280501 /nfs/dbraw/zinc/28/05/01/1352280501.db2.gz AELLWTUPTZTQDS-HNNXBMFYSA-N -1 1 345.786 2.220 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(C/C=C\c3ccc(F)cc3F)C2)nn1 ZINC001610859901 1352286603 /nfs/dbraw/zinc/28/66/03/1352286603.db2.gz YDHUXADHWNMITO-FYDYADQUSA-N -1 1 334.326 2.215 20 0 EEADMM NC(=O)c1csc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001610925482 1352291995 /nfs/dbraw/zinc/29/19/95/1352291995.db2.gz YLUAZIUNYJYMLS-UHFFFAOYSA-N -1 1 329.337 2.059 20 0 EEADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001431626986 1340656021 /nfs/dbraw/zinc/65/60/21/1340656021.db2.gz JUFHXCCEEAGPKS-UONOGXRCSA-N -1 1 341.411 2.216 20 0 EEADMM Cc1occc1C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432858737 1341417403 /nfs/dbraw/zinc/41/74/03/1341417403.db2.gz DELCUAVFHREDAG-SFHVURJKSA-N -1 1 343.383 2.017 20 0 EEADMM CC[C@@H](C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434141316 1341777242 /nfs/dbraw/zinc/77/72/42/1341777242.db2.gz QHZSTJTXNVTRIT-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(Nc1ncccc1[O-])c1nc(Br)c2ccccn21 ZINC001556164479 1342423838 /nfs/dbraw/zinc/42/38/38/1342423838.db2.gz FUAJHFLPMSUKSC-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Br)c2nccn2c1 ZINC001556827602 1342435258 /nfs/dbraw/zinc/43/52/58/1342435258.db2.gz PYKXUXSCZCXMHB-UHFFFAOYSA-N -1 1 336.149 2.086 20 0 EEADMM CCC[C@H]1CCCN1S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001577393328 1344139903 /nfs/dbraw/zinc/13/99/03/1344139903.db2.gz SZLLMARKBVIUHN-NSHDSACASA-N -1 1 341.462 2.023 20 0 EEADMM COc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001579881317 1344426023 /nfs/dbraw/zinc/42/60/23/1344426023.db2.gz JFFKEEJIDNOXBJ-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM C[S@@](=O)(=NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001580153343 1344481922 /nfs/dbraw/zinc/48/19/22/1344481922.db2.gz WBGKMVMBYMICSG-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1cccs1 ZINC001580441217 1344520500 /nfs/dbraw/zinc/52/05/00/1344520500.db2.gz JRVSLLUPPKDSCS-ZETCQYMHSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001580441217 1344520504 /nfs/dbraw/zinc/52/05/04/1344520504.db2.gz JRVSLLUPPKDSCS-ZETCQYMHSA-N -1 1 341.443 2.029 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1(C)CCC(C)CC1 ZINC001580604261 1344542061 /nfs/dbraw/zinc/54/20/61/1344542061.db2.gz PFHAXYRPBVDREQ-UHFFFAOYSA-N -1 1 344.419 2.222 20 0 EEADMM Cc1cc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc(C)c1F ZINC001580871022 1344566598 /nfs/dbraw/zinc/56/65/98/1344566598.db2.gz YJSTZDVFMGGQAT-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1cc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc(C)c1F ZINC001580871022 1344566600 /nfs/dbraw/zinc/56/66/00/1344566600.db2.gz YJSTZDVFMGGQAT-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1ccccc1CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001581259065 1344608582 /nfs/dbraw/zinc/60/85/82/1344608582.db2.gz JOOGCPWIEDHRIF-UHFFFAOYSA-N -1 1 342.790 2.196 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1csc(-c2nn[n-]n2)c1 ZINC001582583803 1344766520 /nfs/dbraw/zinc/76/65/20/1344766520.db2.gz MBZXPKRUVHEIPX-CMPLNLGQSA-N -1 1 347.350 2.492 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCc1ccccc1Br ZINC001582806626 1344794177 /nfs/dbraw/zinc/79/41/77/1344794177.db2.gz RRDGQERMOAYUEV-UHFFFAOYSA-N -1 1 346.188 2.034 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCc1ccccc1Br ZINC001582806898 1344794365 /nfs/dbraw/zinc/79/43/65/1344794365.db2.gz XBTREXGVTRSRKJ-UHFFFAOYSA-N -1 1 346.188 2.034 20 0 EEADMM CC(C)C(=O)Nc1ccc(OC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001589412426 1348988584 /nfs/dbraw/zinc/98/85/84/1348988584.db2.gz GCUPENLMJRIMHA-UHFFFAOYSA-N -1 1 341.327 2.273 20 0 EEADMM CC(C)C(=O)Nc1ccc(OC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001589412426 1348988587 /nfs/dbraw/zinc/98/85/87/1348988587.db2.gz GCUPENLMJRIMHA-UHFFFAOYSA-N -1 1 341.327 2.273 20 0 EEADMM CC(C)c1cnc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)o1 ZINC001589773357 1349036122 /nfs/dbraw/zinc/03/61/22/1349036122.db2.gz DNPIPWAWHGTCBD-UHFFFAOYSA-N -1 1 336.355 2.341 20 0 EEADMM CC(C)n1ccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)n1 ZINC001589782707 1349040861 /nfs/dbraw/zinc/04/08/61/1349040861.db2.gz XPLHRZSMZQUASC-UHFFFAOYSA-N -1 1 335.371 2.007 20 0 EEADMM C[C@@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C1CC1)C(F)(F)F ZINC001589944948 1349072039 /nfs/dbraw/zinc/07/20/39/1349072039.db2.gz ZFHNFUGDXOGFBT-LLVKDONJSA-N -1 1 331.323 2.389 20 0 EEADMM C[C@@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C1CC1)C(F)(F)F ZINC001589944948 1349072043 /nfs/dbraw/zinc/07/20/43/1349072043.db2.gz ZFHNFUGDXOGFBT-LLVKDONJSA-N -1 1 331.323 2.389 20 0 EEADMM CC(C)n1cc([C@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001589950422 1349075403 /nfs/dbraw/zinc/07/54/03/1349075403.db2.gz VNMPYMPDVPTAJZ-VIFPVBQESA-N -1 1 331.405 2.197 20 0 EEADMM CC(C)n1cc([C@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001589950422 1349075407 /nfs/dbraw/zinc/07/54/07/1349075407.db2.gz VNMPYMPDVPTAJZ-VIFPVBQESA-N -1 1 331.405 2.197 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(N2CCCC2)c1 ZINC001589980301 1349090121 /nfs/dbraw/zinc/09/01/21/1349090121.db2.gz KVLRXSWHSZVUJR-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(N2CCCC2)c1 ZINC001589980301 1349090125 /nfs/dbraw/zinc/09/01/25/1349090125.db2.gz KVLRXSWHSZVUJR-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590140428 1349172525 /nfs/dbraw/zinc/17/25/25/1349172525.db2.gz UAJYSMDXSGAPJD-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590140428 1349172529 /nfs/dbraw/zinc/17/25/29/1349172529.db2.gz UAJYSMDXSGAPJD-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(O)CCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CC1 ZINC001590150815 1349175006 /nfs/dbraw/zinc/17/50/06/1349175006.db2.gz POUIYCWODBRJPJ-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@]1(O)CCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CC1 ZINC001590150815 1349175014 /nfs/dbraw/zinc/17/50/14/1349175014.db2.gz POUIYCWODBRJPJ-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590164590 1349182639 /nfs/dbraw/zinc/18/26/39/1349182639.db2.gz GEEOOIUYSYPMMC-XPUUQOCRSA-N -1 1 331.323 2.341 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590184260 1349186025 /nfs/dbraw/zinc/18/60/25/1349186025.db2.gz FLCWASAMBKJAHD-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590184260 1349186032 /nfs/dbraw/zinc/18/60/32/1349186032.db2.gz FLCWASAMBKJAHD-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCc2ccc(Cl)cc21 ZINC001590317092 1349262104 /nfs/dbraw/zinc/26/21/04/1349262104.db2.gz UFSRELBNABPAPM-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCc2ccc(Cl)cc21 ZINC001590317092 1349262109 /nfs/dbraw/zinc/26/21/09/1349262109.db2.gz UFSRELBNABPAPM-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM CCC(C)(C)OCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590379379 1349293056 /nfs/dbraw/zinc/29/30/56/1349293056.db2.gz YJSKZSJKFBCFAS-UHFFFAOYSA-N -1 1 339.346 2.080 20 0 EEADMM CCC(C)(C)OCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590379379 1349293062 /nfs/dbraw/zinc/29/30/62/1349293062.db2.gz YJSKZSJKFBCFAS-UHFFFAOYSA-N -1 1 339.346 2.080 20 0 EEADMM CC/C(C)=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001590389214 1349299984 /nfs/dbraw/zinc/29/99/84/1349299984.db2.gz PNCWPFSHEYCJLC-MDZDMXLPSA-N -1 1 341.350 2.486 20 0 EEADMM CCC(CC)n1nc(C)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001590436343 1349323520 /nfs/dbraw/zinc/32/35/20/1349323520.db2.gz NUTSOCBQTOAYTQ-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CCC(CC)n1nc(C)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001590436343 1349323523 /nfs/dbraw/zinc/32/35/23/1349323523.db2.gz NUTSOCBQTOAYTQ-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590438619 1349325902 /nfs/dbraw/zinc/32/59/02/1349325902.db2.gz FOQLKNODKJDSBQ-ZDUSSCGKSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590438619 1349325907 /nfs/dbraw/zinc/32/59/07/1349325907.db2.gz FOQLKNODKJDSBQ-ZDUSSCGKSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590452580 1349331762 /nfs/dbraw/zinc/33/17/62/1349331762.db2.gz YYPWUVUKPKZWMU-NSHDSACASA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590452580 1349331768 /nfs/dbraw/zinc/33/17/68/1349331768.db2.gz YYPWUVUKPKZWMU-NSHDSACASA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cc(F)ccc1OC ZINC001590472535 1349346550 /nfs/dbraw/zinc/34/65/50/1349346550.db2.gz FMJQQBWWIUEKIW-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cc(F)ccc1OC ZINC001590472535 1349346558 /nfs/dbraw/zinc/34/65/58/1349346558.db2.gz FMJQQBWWIUEKIW-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCO1 ZINC001590503151 1349357322 /nfs/dbraw/zinc/35/73/22/1349357322.db2.gz IHPWXTCSAVFRRQ-GXSJLCMTSA-N -1 1 345.407 2.001 20 0 EEADMM CC[C@H]1C[C@H](C)CN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502519 1349357473 /nfs/dbraw/zinc/35/74/73/1349357473.db2.gz BMRWILINCLFNLZ-JQWIXIFHSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@H]1C[C@H](C)CN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502519 1349357483 /nfs/dbraw/zinc/35/74/83/1349357483.db2.gz BMRWILINCLFNLZ-JQWIXIFHSA-N -1 1 342.407 2.363 20 0 EEADMM CCCN(C(=O)c1ncccc1C)c1snc(C)c1-c1nnn[n-]1 ZINC001590617571 1349377248 /nfs/dbraw/zinc/37/72/48/1349377248.db2.gz AALPVBKEJRSJFN-UHFFFAOYSA-N -1 1 343.416 2.392 20 0 EEADMM CCCN(C(=O)c1ncccc1C)c1snc(C)c1-c1nn[n-]n1 ZINC001590617571 1349377251 /nfs/dbraw/zinc/37/72/51/1349377251.db2.gz AALPVBKEJRSJFN-UHFFFAOYSA-N -1 1 343.416 2.392 20 0 EEADMM CN(C)c1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1Cl ZINC001591029102 1349431315 /nfs/dbraw/zinc/43/13/15/1349431315.db2.gz VFUDFDOXYVWZLA-UHFFFAOYSA-N -1 1 332.751 2.431 20 0 EEADMM CN(C)c1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1Cl ZINC001591029102 1349431322 /nfs/dbraw/zinc/43/13/22/1349431322.db2.gz VFUDFDOXYVWZLA-UHFFFAOYSA-N -1 1 332.751 2.431 20 0 EEADMM CN(c1cc(-c2nnn[n-]2)ncn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591154751 1349440992 /nfs/dbraw/zinc/44/09/92/1349440992.db2.gz IRFCTOGDRDFQKL-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM CN(c1cc(-c2nn[n-]n2)ncn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591154751 1349440998 /nfs/dbraw/zinc/44/09/98/1349440998.db2.gz IRFCTOGDRDFQKL-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM COC(=O)CCCSc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591263535 1349454029 /nfs/dbraw/zinc/45/40/29/1349454029.db2.gz CAPNKGBUGPJZOY-UHFFFAOYSA-N -1 1 347.322 2.326 20 0 EEADMM COC(=O)CCCSc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591263535 1349454032 /nfs/dbraw/zinc/45/40/32/1349454032.db2.gz CAPNKGBUGPJZOY-UHFFFAOYSA-N -1 1 347.322 2.326 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591335923 1349464026 /nfs/dbraw/zinc/46/40/26/1349464026.db2.gz YRJVWLZVGIACSG-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591335923 1349464031 /nfs/dbraw/zinc/46/40/31/1349464031.db2.gz YRJVWLZVGIACSG-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001591351609 1349467702 /nfs/dbraw/zinc/46/77/02/1349467702.db2.gz OTAPVUIAEFFDJJ-RKDXNWHRSA-N -1 1 328.298 2.260 20 0 EEADMM CO[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001591351609 1349467707 /nfs/dbraw/zinc/46/77/07/1349467707.db2.gz OTAPVUIAEFFDJJ-RKDXNWHRSA-N -1 1 328.298 2.260 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591604835 1349513358 /nfs/dbraw/zinc/51/33/58/1349513358.db2.gz KBDIQXURTGEDLO-UHFFFAOYSA-N -1 1 333.735 2.398 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(C)nc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001591622633 1349518855 /nfs/dbraw/zinc/51/88/55/1349518855.db2.gz RAACMLJKFBNOET-NSHDSACASA-N -1 1 340.387 2.182 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(C)nc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001591622633 1349518859 /nfs/dbraw/zinc/51/88/59/1349518859.db2.gz RAACMLJKFBNOET-NSHDSACASA-N -1 1 340.387 2.182 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001591643363 1349519909 /nfs/dbraw/zinc/51/99/09/1349519909.db2.gz BLHGCPPBRWBQIG-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001591643363 1349519919 /nfs/dbraw/zinc/51/99/19/1349519919.db2.gz BLHGCPPBRWBQIG-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591654198 1349525917 /nfs/dbraw/zinc/52/59/17/1349525917.db2.gz BOHNPZCBXNRDCY-WDEREUQCSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591654198 1349525921 /nfs/dbraw/zinc/52/59/21/1349525921.db2.gz BOHNPZCBXNRDCY-WDEREUQCSA-N -1 1 341.396 2.223 20 0 EEADMM Cc1cc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(-c2nnn[n-]2)c1 ZINC001592034814 1349586446 /nfs/dbraw/zinc/58/64/46/1349586446.db2.gz NXIGRBPQMGTNNU-APXPCNQMSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1cc(N[C@@H](C)c2ccc([S@@](C)=O)cc2)nc(-c2nn[n-]n2)c1 ZINC001592034814 1349586447 /nfs/dbraw/zinc/58/64/47/1349586447.db2.gz NXIGRBPQMGTNNU-APXPCNQMSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N=[S@@](C)(=O)c1ccc(C)cc1 ZINC001592195684 1349603510 /nfs/dbraw/zinc/60/35/10/1349603510.db2.gz MQNQFOSIVZWYAD-DEOSSOPVSA-N -1 1 345.384 2.374 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N=[S@@](C)(=O)c1ccc(C)cc1 ZINC001592195684 1349603514 /nfs/dbraw/zinc/60/35/14/1349603514.db2.gz MQNQFOSIVZWYAD-DEOSSOPVSA-N -1 1 345.384 2.374 20 0 EEADMM Cc1ccc2c(c1)CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CCO2 ZINC001592204507 1349608245 /nfs/dbraw/zinc/60/82/45/1349608245.db2.gz ZFGKWWBADHGQFX-UHFFFAOYSA-N -1 1 349.398 2.242 20 0 EEADMM Cc1ccc2c(c1)CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CCO2 ZINC001592204507 1349608252 /nfs/dbraw/zinc/60/82/52/1349608252.db2.gz ZFGKWWBADHGQFX-UHFFFAOYSA-N -1 1 349.398 2.242 20 0 EEADMM Cc1[nH]nc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1-c1nn[n-]n1 ZINC001592329743 1349622476 /nfs/dbraw/zinc/62/24/76/1349622476.db2.gz FCBLKQPQDRFRNY-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1nn(C)c(NC(=O)c2coc3c2cccc3C)c1-c1nnn[n-]1 ZINC001592432628 1349631889 /nfs/dbraw/zinc/63/18/89/1349631889.db2.gz FDPXYAHSDWAZRF-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1nn(C)c(NC(=O)c2coc3c2cccc3C)c1-c1nn[n-]n1 ZINC001592432628 1349631891 /nfs/dbraw/zinc/63/18/91/1349631891.db2.gz FDPXYAHSDWAZRF-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCN(C)c1ccccc1 ZINC001592504010 1349640057 /nfs/dbraw/zinc/64/00/57/1349640057.db2.gz PUPVOEKFHPKHJE-UHFFFAOYSA-N -1 1 341.371 2.451 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCN(C)c1ccccc1 ZINC001592504010 1349640059 /nfs/dbraw/zinc/64/00/59/1349640059.db2.gz PUPVOEKFHPKHJE-UHFFFAOYSA-N -1 1 341.371 2.451 20 0 EEADMM Clc1ccc(N2CC[C@@H](Cc3nccs3)C2)nc1-c1nnn[n-]1 ZINC001592532539 1349650013 /nfs/dbraw/zinc/65/00/13/1349650013.db2.gz RCMBEDGLWSOMMA-VIFPVBQESA-N -1 1 347.835 2.441 20 0 EEADMM Clc1ccc(N2CC[C@@H](Cc3nccs3)C2)nc1-c1nn[n-]n1 ZINC001592532539 1349650015 /nfs/dbraw/zinc/65/00/15/1349650015.db2.gz RCMBEDGLWSOMMA-VIFPVBQESA-N -1 1 347.835 2.441 20 0 EEADMM Cn1nc(C2CC2)cc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592594466 1349665290 /nfs/dbraw/zinc/66/52/90/1349665290.db2.gz LYCVOZZNFHZXBH-UHFFFAOYSA-N -1 1 330.783 2.138 20 0 EEADMM Cn1nc(C2CC2)cc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592594466 1349665292 /nfs/dbraw/zinc/66/52/92/1349665292.db2.gz LYCVOZZNFHZXBH-UHFFFAOYSA-N -1 1 330.783 2.138 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592648209 1349692729 /nfs/dbraw/zinc/69/27/29/1349692729.db2.gz CYAMLBKMDNJWPT-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592648209 1349692731 /nfs/dbraw/zinc/69/27/31/1349692731.db2.gz CYAMLBKMDNJWPT-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM O=C(CCSc1cccc(Cl)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592849566 1349720053 /nfs/dbraw/zinc/72/00/53/1349720053.db2.gz SXGBIQXJPOHLIE-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(CCSc1cccc(Cl)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592849566 1349720057 /nfs/dbraw/zinc/72/00/57/1349720057.db2.gz SXGBIQXJPOHLIE-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(-c2nnn[n-]2)o1 ZINC001592966054 1349730188 /nfs/dbraw/zinc/73/01/88/1349730188.db2.gz RNXHFKVKANXSAV-DDTOSNHZSA-N -1 1 341.758 2.181 20 0 EEADMM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(-c2nn[n-]n2)o1 ZINC001592966054 1349730192 /nfs/dbraw/zinc/73/01/92/1349730192.db2.gz RNXHFKVKANXSAV-DDTOSNHZSA-N -1 1 341.758 2.181 20 0 EEADMM O=C(NCc1cccc2cc[nH]c21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593143802 1349740587 /nfs/dbraw/zinc/74/05/87/1349740587.db2.gz GNCGRNROYUZVNG-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1cccc2cc[nH]c21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593143802 1349740594 /nfs/dbraw/zinc/74/05/94/1349740594.db2.gz GNCGRNROYUZVNG-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ccc(Cl)cc1[O-] ZINC001593143659 1349741303 /nfs/dbraw/zinc/74/13/03/1349741303.db2.gz HGMQGKJXCQFGQU-UHFFFAOYSA-N -1 1 329.747 2.156 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001593195498 1349744349 /nfs/dbraw/zinc/74/43/49/1349744349.db2.gz FIALXUVGUFAZQO-HRDYMLBCSA-N -1 1 349.345 2.087 20 0 EEADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593261821 1349753558 /nfs/dbraw/zinc/75/35/58/1349753558.db2.gz BPTVOZQOPCAUMD-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593281894 1349761250 /nfs/dbraw/zinc/76/12/50/1349761250.db2.gz MQDLTXFPZVJVEK-MUWHJKNJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593281894 1349761253 /nfs/dbraw/zinc/76/12/53/1349761253.db2.gz MQDLTXFPZVJVEK-MUWHJKNJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OCCOc1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593291154 1349767329 /nfs/dbraw/zinc/76/73/29/1349767329.db2.gz ZUVRJVSPIYMXHZ-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(OCCOc1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593291154 1349767332 /nfs/dbraw/zinc/76/73/32/1349767332.db2.gz ZUVRJVSPIYMXHZ-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2ccc(Cl)cc2C1 ZINC001593339013 1349784487 /nfs/dbraw/zinc/78/44/87/1349784487.db2.gz KSKKPXIGWRDHCH-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2ccc(Cl)cc2C1 ZINC001593339013 1349784489 /nfs/dbraw/zinc/78/44/89/1349784489.db2.gz KSKKPXIGWRDHCH-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCCC[C@@H]1C(F)(F)F ZINC001593348965 1349788818 /nfs/dbraw/zinc/78/88/18/1349788818.db2.gz SUHYXLXTXAGOPB-LLVKDONJSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1C(F)(F)F ZINC001593348965 1349788821 /nfs/dbraw/zinc/78/88/21/1349788821.db2.gz SUHYXLXTXAGOPB-LLVKDONJSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593371921 1349792770 /nfs/dbraw/zinc/79/27/70/1349792770.db2.gz WUZKFNPEFOZBRM-SUMWQHHRSA-N -1 1 337.408 2.342 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cc(C3CC3)no2)c2ccccc12 ZINC001593495085 1349819479 /nfs/dbraw/zinc/81/94/79/1349819479.db2.gz UFZBAADQAQHDCK-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593580147 1349860254 /nfs/dbraw/zinc/86/02/54/1349860254.db2.gz KLYFHFRZVUZXFW-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593580147 1349860259 /nfs/dbraw/zinc/86/02/59/1349860259.db2.gz KLYFHFRZVUZXFW-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593581279 1349861497 /nfs/dbraw/zinc/86/14/97/1349861497.db2.gz NGQXBSPBLCWPAD-MVVMVCHASA-N -1 1 332.411 2.289 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593581279 1349861499 /nfs/dbraw/zinc/86/14/99/1349861499.db2.gz NGQXBSPBLCWPAD-MVVMVCHASA-N -1 1 332.411 2.289 20 0 EEADMM c1cnn(Cc2ccc(CNc3cccnc3-c3nnn[n-]3)cc2)c1 ZINC001593585678 1349865854 /nfs/dbraw/zinc/86/58/54/1349865854.db2.gz YYDQIPDOFWPKSO-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cnn(Cc2ccc(CNc3cccnc3-c3nn[n-]n3)cc2)c1 ZINC001593585678 1349865856 /nfs/dbraw/zinc/86/58/56/1349865856.db2.gz YYDQIPDOFWPKSO-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1coc(CN(Cc2cccnc2)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001593587471 1349866843 /nfs/dbraw/zinc/86/68/43/1349866843.db2.gz IBIGGDRKLGGLFJ-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1coc(CN(Cc2cccnc2)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001593587471 1349866853 /nfs/dbraw/zinc/86/68/53/1349866853.db2.gz IBIGGDRKLGGLFJ-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM Cc1[nH]c(C(=O)N2CCc3nc[nH]c3C23CCC3)c(C)c1C(=O)[O-] ZINC001599950550 1349949324 /nfs/dbraw/zinc/94/93/24/1349949324.db2.gz GLAUIJFEIZDTJZ-UHFFFAOYSA-N -1 1 328.372 2.131 20 0 EEADMM Cc1c(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)cccc1C(=O)[O-] ZINC001600043920 1349961096 /nfs/dbraw/zinc/96/10/96/1349961096.db2.gz BANMNGUFKNFENL-UHFFFAOYSA-N -1 1 331.376 2.431 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001600120424 1349974431 /nfs/dbraw/zinc/97/44/31/1349974431.db2.gz LODANUXMDCYMKM-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001600120424 1349974432 /nfs/dbraw/zinc/97/44/32/1349974432.db2.gz LODANUXMDCYMKM-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC001600121256 1349975076 /nfs/dbraw/zinc/97/50/76/1349975076.db2.gz RYGCBXUKBHDNBD-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001600183987 1349987628 /nfs/dbraw/zinc/98/76/28/1349987628.db2.gz SITMAPQQDGYQTM-HNNXBMFYSA-N -1 1 349.412 2.332 20 0 EEADMM Cc1cc(CNCc2cnn(CCF)c2)cc(C)c1OCC(=O)[O-] ZINC001600209917 1349993670 /nfs/dbraw/zinc/99/36/70/1349993670.db2.gz YKJPSYFMWFILDX-UHFFFAOYSA-N -1 1 335.379 2.223 20 0 EEADMM Cc1cc(NC(=O)NCc2ccc3cncn3c2)ncc1C(=O)[O-] ZINC001600270775 1350007640 /nfs/dbraw/zinc/00/76/40/1350007640.db2.gz IMYKPVFEHCDEBK-UHFFFAOYSA-N -1 1 325.328 2.058 20 0 EEADMM Cc1ccc2nc(CNC(=O)N[C@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)[nH]c2c1 ZINC001600489972 1350064313 /nfs/dbraw/zinc/06/43/13/1350064313.db2.gz VBQJYSOUVMLOAW-BYNQJWBRSA-N -1 1 342.399 2.170 20 0 EEADMM Cc1cccc(C)c1NC(=O)[C@H](C)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001600521201 1350072097 /nfs/dbraw/zinc/07/20/97/1350072097.db2.gz AMXROPSKFQMWCP-SOUVJXGZSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1cccc(OC[C@@H](O)CN(Cc2oncc2C(=O)[O-])C(C)C)c1 ZINC001600543632 1350077610 /nfs/dbraw/zinc/07/76/10/1350077610.db2.gz BBGLSSSVCAVFED-AWEZNQCLSA-N -1 1 348.399 2.332 20 0 EEADMM Cc1ccncc1N1CCN(CCc2ccccc2C(=O)[O-])CC1 ZINC001600606901 1350096409 /nfs/dbraw/zinc/09/64/09/1350096409.db2.gz OSDSNGDZIRGCLW-UHFFFAOYSA-N -1 1 325.412 2.453 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n[nH]1 ZINC001600792416 1350138654 /nfs/dbraw/zinc/13/86/54/1350138654.db2.gz OFKJRPWHIFRIOD-BDAKNGLRSA-N -1 1 334.401 2.169 20 0 EEADMM Cn1c(=O)[nH]nc1SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001600921747 1350168856 /nfs/dbraw/zinc/16/88/56/1350168856.db2.gz SJVGAANRUIPEJN-UHFFFAOYSA-N -1 1 332.341 2.166 20 0 EEADMM NC(=O)[C@H](F)C1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001601139903 1350219425 /nfs/dbraw/zinc/21/94/25/1350219425.db2.gz YXXVJHGXRSOIJL-OLZOCXBDSA-N -1 1 346.761 2.140 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@H](c2cccnc2)C2CC2)c1 ZINC001601323963 1350256955 /nfs/dbraw/zinc/25/69/55/1350256955.db2.gz OQZKTJOZUINNOT-KRWDZBQOSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cc(Cl)c2ccccc2c1O ZINC001601569707 1350309113 /nfs/dbraw/zinc/30/91/13/1350309113.db2.gz PWZLIEYUSHOWTD-GXTWGEPZSA-N -1 1 335.743 2.171 20 0 EEADMM O=C([O-])c1ccnc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001601584130 1350312971 /nfs/dbraw/zinc/31/29/71/1350312971.db2.gz SPAHIYIYMFDVPD-HNNXBMFYSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(C4CC4)[nH]c3=O)[nH]c21 ZINC001601631860 1350324488 /nfs/dbraw/zinc/32/44/88/1350324488.db2.gz AJPIHTIJRVHWHE-UHFFFAOYSA-N -1 1 338.323 2.491 20 0 EEADMM O=C([O-])/C=C/c1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)o1 ZINC001601880170 1350388656 /nfs/dbraw/zinc/38/86/56/1350388656.db2.gz RWQFPKIOCMFRDB-PIIXRYACSA-N -1 1 329.352 2.002 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1Cc1sc(N2CCOCC2)nc1Cl ZINC001601953944 1350404907 /nfs/dbraw/zinc/40/49/07/1350404907.db2.gz RNDRSHVSAMTVBZ-JTQLQIEISA-N -1 1 345.852 2.072 20 0 EEADMM O=C([O-])CCC(=O)COC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001601970004 1350407450 /nfs/dbraw/zinc/40/74/50/1350407450.db2.gz DAUSVTAUCOAKGE-UHFFFAOYSA-N -1 1 326.255 2.091 20 0 EEADMM O=C([O-])CN(CCC(F)(F)F)C(=O)c1cc(F)cc(F)c1O ZINC001602054279 1350428402 /nfs/dbraw/zinc/42/84/02/1350428402.db2.gz MHVBKEFXGDQQQQ-UHFFFAOYSA-N -1 1 327.205 2.150 20 0 EEADMM O=C([O-])CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC001602062435 1350430394 /nfs/dbraw/zinc/43/03/94/1350430394.db2.gz MIDYKOPTNGOZJU-UHFFFAOYSA-N -1 1 338.407 2.125 20 0 EEADMM O=C([O-])c1ccnc(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001602482048 1350529206 /nfs/dbraw/zinc/52/92/06/1350529206.db2.gz ZTOCOUYXKJYKLI-HNNXBMFYSA-N -1 1 326.352 2.211 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001602587198 1350552118 /nfs/dbraw/zinc/55/21/18/1350552118.db2.gz WQNYHAVAIGBTBN-MWLCHTKSSA-N -1 1 342.373 2.278 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccc(-c4nnc[nH]4)cc3)[C@@H]2C1 ZINC001602609899 1350556555 /nfs/dbraw/zinc/55/65/55/1350556555.db2.gz RKEZAJOUGKRNIX-SYQHCUMBSA-N -1 1 327.340 2.128 20 0 EEADMM O=Cc1ccc(F)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001602666570 1350569741 /nfs/dbraw/zinc/56/97/41/1350569741.db2.gz CTFNSHOWJPVZCD-UHFFFAOYSA-N -1 1 327.271 2.465 20 0 EEADMM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001602950950 1350609854 /nfs/dbraw/zinc/60/98/54/1350609854.db2.gz ZLHIBDXFCMKNEZ-UHFFFAOYSA-N -1 1 340.343 2.287 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001602975742 1350616538 /nfs/dbraw/zinc/61/65/38/1350616538.db2.gz AUUJISLFFYQREE-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001602975742 1350616540 /nfs/dbraw/zinc/61/65/40/1350616540.db2.gz AUUJISLFFYQREE-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1C ZINC001602975889 1350616917 /nfs/dbraw/zinc/61/69/17/1350616917.db2.gz GNWZPWSMLBZJQH-UHFFFAOYSA-N -1 1 342.384 2.395 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1C ZINC001602975889 1350616926 /nfs/dbraw/zinc/61/69/26/1350616926.db2.gz GNWZPWSMLBZJQH-UHFFFAOYSA-N -1 1 342.384 2.395 20 0 EEADMM CC(C)=CCCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001603186301 1350658636 /nfs/dbraw/zinc/65/86/36/1350658636.db2.gz KVJVFIJINZVLHK-UHFFFAOYSA-N -1 1 340.309 2.367 20 0 EEADMM CC(C)[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cn1 ZINC001603230932 1350666443 /nfs/dbraw/zinc/66/64/43/1350666443.db2.gz GGMGJKJYKCWVIY-CYBMUJFWSA-N -1 1 333.396 2.344 20 0 EEADMM CC(C)[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cn1 ZINC001603230932 1350666446 /nfs/dbraw/zinc/66/64/46/1350666446.db2.gz GGMGJKJYKCWVIY-CYBMUJFWSA-N -1 1 333.396 2.344 20 0 EEADMM C[C@H](C1CCCCC1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603436957 1350705162 /nfs/dbraw/zinc/70/51/62/1350705162.db2.gz QNBBZTYZOXMXGD-SNVBAGLBSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)[C@@H](NCc1cc(C(=O)[O-])n(C)c1)c1nnc2ccccn21 ZINC001603737829 1350755288 /nfs/dbraw/zinc/75/52/88/1350755288.db2.gz RRALOUUKADBGTJ-OAHLLOKOSA-N -1 1 327.388 2.253 20 0 EEADMM CC(C)Oc1c(NC(=O)N(C)CC2CN(C)C2)cccc1C(=O)[O-] ZINC001603932848 1350804939 /nfs/dbraw/zinc/80/49/39/1350804939.db2.gz QYSFRAHHSDJRTP-UHFFFAOYSA-N -1 1 335.404 2.197 20 0 EEADMM C[C@@H]1c2ccc(Cl)n2CCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001603957190 1350813647 /nfs/dbraw/zinc/81/36/47/1350813647.db2.gz VCUDCTHIXRCHIZ-MRVPVSSYSA-N -1 1 335.824 2.355 20 0 EEADMM C[C@@H]1c2ccc(Cl)n2CCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001603957190 1350813652 /nfs/dbraw/zinc/81/36/52/1350813652.db2.gz VCUDCTHIXRCHIZ-MRVPVSSYSA-N -1 1 335.824 2.355 20 0 EEADMM CCC(CC)(CC)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604018909 1350830782 /nfs/dbraw/zinc/83/07/82/1350830782.db2.gz ASKUVHRUCBTRKA-UHFFFAOYSA-N -1 1 329.451 2.175 20 0 EEADMM CCC1(C(=O)N[C@@H](C)[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001604080733 1350849211 /nfs/dbraw/zinc/84/92/11/1350849211.db2.gz VLRZZNANMVAHNO-IUCAKERBSA-N -1 1 349.464 2.127 20 0 EEADMM CCCCN(Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2)C1CC1 ZINC001604182519 1350887301 /nfs/dbraw/zinc/88/73/01/1350887301.db2.gz FXGQRSSMMYNPEQ-UHFFFAOYSA-N -1 1 342.447 2.129 20 0 EEADMM CC1(CN2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])COC1 ZINC001604575883 1350963097 /nfs/dbraw/zinc/96/30/97/1350963097.db2.gz RUCJUJTWSUKWBQ-ZDUSSCGKSA-N -1 1 340.217 2.297 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604728313 1350992670 /nfs/dbraw/zinc/99/26/70/1350992670.db2.gz IXKNDTPAEVCUHU-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604728313 1350992673 /nfs/dbraw/zinc/99/26/73/1350992673.db2.gz IXKNDTPAEVCUHU-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM C[C@@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC001604751180 1350996462 /nfs/dbraw/zinc/99/64/62/1350996462.db2.gz BKPZZNBKVAKDBB-FZKQIMNGSA-N -1 1 326.396 2.424 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001604766783 1350999012 /nfs/dbraw/zinc/99/90/12/1350999012.db2.gz MLDNDHPZMLWVCO-GTTSAUCSSA-N -1 1 345.374 2.027 20 0 EEADMM CN1CCC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001604857967 1351020281 /nfs/dbraw/zinc/02/02/81/1351020281.db2.gz MOWNFDKSUUDHGF-ZDUSSCGKSA-N -1 1 338.371 2.161 20 0 EEADMM CN1CCC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001604857967 1351020282 /nfs/dbraw/zinc/02/02/82/1351020282.db2.gz MOWNFDKSUUDHGF-ZDUSSCGKSA-N -1 1 338.371 2.161 20 0 EEADMM COC(=O)[C@H](CC1CCCCC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604904695 1351029321 /nfs/dbraw/zinc/02/93/21/1351029321.db2.gz KFPCMRCYEHJYNV-ZDUSSCGKSA-N -1 1 348.359 2.129 20 0 EEADMM COC(=O)Cc1cccc(Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001604947105 1351037420 /nfs/dbraw/zinc/03/74/20/1351037420.db2.gz PZUITIKGFFATNW-UHFFFAOYSA-N -1 1 330.373 2.091 20 0 EEADMM CO[C@@H]1CC[C@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001605029892 1351061083 /nfs/dbraw/zinc/06/10/83/1351061083.db2.gz OYKQMJCTSMQMIP-DTWKUNHWSA-N -1 1 339.197 2.004 20 0 EEADMM CO[C@@H]1CC[C@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001605029892 1351061090 /nfs/dbraw/zinc/06/10/90/1351061090.db2.gz OYKQMJCTSMQMIP-DTWKUNHWSA-N -1 1 339.197 2.004 20 0 EEADMM COCC1(c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)CCCCC1 ZINC001605067465 1351070817 /nfs/dbraw/zinc/07/08/17/1351070817.db2.gz GCMHZHOSSZICBI-UHFFFAOYSA-N -1 1 330.348 2.358 20 0 EEADMM COc1c(C)cnc(COC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001605155814 1351090192 /nfs/dbraw/zinc/09/01/92/1351090192.db2.gz NSDQCRPBVCJRJA-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1cc(F)cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001605224243 1351108733 /nfs/dbraw/zinc/10/87/33/1351108733.db2.gz MBCAFRXFWKUHAU-UHFFFAOYSA-N -1 1 329.339 2.227 20 0 EEADMM COc1cc(F)cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001605224243 1351108735 /nfs/dbraw/zinc/10/87/35/1351108735.db2.gz MBCAFRXFWKUHAU-UHFFFAOYSA-N -1 1 329.339 2.227 20 0 EEADMM COc1ccc(C=CC(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001605270179 1351120716 /nfs/dbraw/zinc/12/07/16/1351120716.db2.gz RWEIPLZAUAOHPL-TWGQIWQCSA-N -1 1 337.339 2.027 20 0 EEADMM COc1ccc(C=CC(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001605270179 1351120717 /nfs/dbraw/zinc/12/07/17/1351120717.db2.gz RWEIPLZAUAOHPL-TWGQIWQCSA-N -1 1 337.339 2.027 20 0 EEADMM COc1ccc(OC)c([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605304961 1351131072 /nfs/dbraw/zinc/13/10/72/1351131072.db2.gz XNGIQTRVTYNFLV-VIFPVBQESA-N -1 1 341.375 2.155 20 0 EEADMM COc1ccc(OC)c([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605304961 1351131075 /nfs/dbraw/zinc/13/10/75/1351131075.db2.gz XNGIQTRVTYNFLV-VIFPVBQESA-N -1 1 341.375 2.155 20 0 EEADMM COc1cccc2nc(NC(=O)c3coc(-c4nnn[n-]4)c3)sc21 ZINC001605325106 1351137482 /nfs/dbraw/zinc/13/74/82/1351137482.db2.gz JJGJUTBZHPNJDN-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM COc1cccc2nc(NC(=O)c3coc(-c4nn[n-]n4)c3)sc21 ZINC001605325106 1351137485 /nfs/dbraw/zinc/13/74/85/1351137485.db2.gz JJGJUTBZHPNJDN-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM CSCc1cccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605374963 1351147336 /nfs/dbraw/zinc/14/73/36/1351147336.db2.gz GHYQZTHGFHJRNH-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM CSCc1cccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605374963 1351147341 /nfs/dbraw/zinc/14/73/41/1351147341.db2.gz GHYQZTHGFHJRNH-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC(CC(C)C)CC(C)C ZINC001605506553 1351174139 /nfs/dbraw/zinc/17/41/39/1351174139.db2.gz DNYNAVQPAXZLKB-UHFFFAOYSA-N -1 1 346.435 2.466 20 0 EEADMM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605829589 1351230912 /nfs/dbraw/zinc/23/09/12/1351230912.db2.gz LGZOORGXOUWUOY-NSHDSACASA-N -1 1 347.400 2.150 20 0 EEADMM CCc1nc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC001605875024 1351243404 /nfs/dbraw/zinc/24/34/04/1351243404.db2.gz YXLSJJSJSANTPT-SECBINFHSA-N -1 1 334.401 2.493 20 0 EEADMM CCc1n[nH]c(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC001605875024 1351243406 /nfs/dbraw/zinc/24/34/06/1351243406.db2.gz YXLSJJSJSANTPT-SECBINFHSA-N -1 1 334.401 2.493 20 0 EEADMM Cc1ccccc1C(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001605933091 1351256463 /nfs/dbraw/zinc/25/64/63/1351256463.db2.gz HYSVLJVPDKANRS-UHFFFAOYSA-N -1 1 336.399 2.164 20 0 EEADMM Cc1ccccc1C(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001605933091 1351256469 /nfs/dbraw/zinc/25/64/69/1351256469.db2.gz HYSVLJVPDKANRS-UHFFFAOYSA-N -1 1 336.399 2.164 20 0 EEADMM Cc1[nH]nc(NCc2ccnc(Cl)c2Cl)c1-c1nnn[n-]1 ZINC001606013754 1351263539 /nfs/dbraw/zinc/26/35/39/1351263539.db2.gz ICRRNRZLBONZDH-UHFFFAOYSA-N -1 1 325.163 2.212 20 0 EEADMM Cc1[nH]nc(NCc2ccnc(Cl)c2Cl)c1-c1nn[n-]n1 ZINC001606013754 1351263541 /nfs/dbraw/zinc/26/35/41/1351263541.db2.gz ICRRNRZLBONZDH-UHFFFAOYSA-N -1 1 325.163 2.212 20 0 EEADMM Cc1nc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc2s1 ZINC001606084139 1351267903 /nfs/dbraw/zinc/26/79/03/1351267903.db2.gz IMMROWFERPEFQD-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc2s1 ZINC001606084139 1351267904 /nfs/dbraw/zinc/26/79/04/1351267904.db2.gz IMMROWFERPEFQD-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccc2n1C1CC1 ZINC001606084416 1351268279 /nfs/dbraw/zinc/26/82/79/1351268279.db2.gz RPTCTRZXUZYYMO-UHFFFAOYSA-N -1 1 347.386 2.262 20 0 EEADMM Cc1nc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccc2n1C1CC1 ZINC001606084416 1351268284 /nfs/dbraw/zinc/26/82/84/1351268284.db2.gz RPTCTRZXUZYYMO-UHFFFAOYSA-N -1 1 347.386 2.262 20 0 EEADMM Clc1cc(CSCCNc2cc(-c3nnn[n-]3)ncn2)ccn1 ZINC001606189006 1351283747 /nfs/dbraw/zinc/28/37/47/1351283747.db2.gz MYFWETHOTLEMNE-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1cc(CSCCNc2cc(-c3nn[n-]n3)ncn2)ccn1 ZINC001606189006 1351283751 /nfs/dbraw/zinc/28/37/51/1351283751.db2.gz MYFWETHOTLEMNE-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1sc(N2CC[C@H]3CC[C@@H](C2)S3)nc1-c1nn[n-]n1 ZINC001606200812 1351284773 /nfs/dbraw/zinc/28/47/73/1351284773.db2.gz GVRBGJYOKSTYHR-RQJHMYQMSA-N -1 1 328.854 2.451 20 0 EEADMM NC(=O)c1cccc(Sc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001606433232 1351302381 /nfs/dbraw/zinc/30/23/81/1351302381.db2.gz KOKGOWXATNQAJC-UHFFFAOYSA-N -1 1 338.805 2.227 20 0 EEADMM NC(=O)c1cccc(Sc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001606433232 1351302383 /nfs/dbraw/zinc/30/23/83/1351302383.db2.gz KOKGOWXATNQAJC-UHFFFAOYSA-N -1 1 338.805 2.227 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606491705 1351311472 /nfs/dbraw/zinc/31/14/72/1351311472.db2.gz IYENSUACVGHJFY-IUODEOHRSA-N -1 1 348.357 2.094 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606491705 1351311476 /nfs/dbraw/zinc/31/14/76/1351311476.db2.gz IYENSUACVGHJFY-IUODEOHRSA-N -1 1 348.357 2.094 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)NCC1CCCCC1 ZINC001606584773 1351326433 /nfs/dbraw/zinc/32/64/33/1351326433.db2.gz HPUCVIXVNUHVOI-UHFFFAOYSA-N -1 1 332.433 2.050 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)NCC1CCCCC1 ZINC001606584773 1351326436 /nfs/dbraw/zinc/32/64/36/1351326436.db2.gz HPUCVIXVNUHVOI-UHFFFAOYSA-N -1 1 332.433 2.050 20 0 EEADMM COC(=O)c1cnc([C@@H]2CCN(Cc3cc(C)c(C(=O)[O-])[nH]3)C2)s1 ZINC001606624394 1351333718 /nfs/dbraw/zinc/33/37/18/1351333718.db2.gz JCDVGOZSRFGFEM-SNVBAGLBSA-N -1 1 349.412 2.254 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@@H](NCC(=O)Nc2ccc(C)cc2C)C(=O)[O-])C1 ZINC001606743701 1351350436 /nfs/dbraw/zinc/35/04/36/1351350436.db2.gz VBARXWVCWHMEFU-IIDMSEBBSA-N -1 1 348.443 2.490 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cccc3nc(C)[nH]c32)C(=O)[O-])C1 ZINC001606744314 1351350957 /nfs/dbraw/zinc/35/09/57/1351350957.db2.gz YOVYMBQIEZUDIC-LALPHHSUSA-N -1 1 345.399 2.260 20 0 EEADMM O=C(NCCc1ccc(Cl)s1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606794146 1351357948 /nfs/dbraw/zinc/35/79/48/1351357948.db2.gz ARFOJIQEQBEQFZ-UHFFFAOYSA-N -1 1 349.807 2.341 20 0 EEADMM O=C(NCCc1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606794146 1351357951 /nfs/dbraw/zinc/35/79/51/1351357951.db2.gz ARFOJIQEQBEQFZ-UHFFFAOYSA-N -1 1 349.807 2.341 20 0 EEADMM O=C(NCc1cccc(OCC(F)F)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606836198 1351364847 /nfs/dbraw/zinc/36/48/47/1351364847.db2.gz VPCBFZDXFNDZHO-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCc1cccc(OCC(F)F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606836198 1351364849 /nfs/dbraw/zinc/36/48/49/1351364849.db2.gz VPCBFZDXFNDZHO-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(OC1CCCC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606962743 1351385130 /nfs/dbraw/zinc/38/51/30/1351385130.db2.gz ITBLKEUWNPRHOZ-UHFFFAOYSA-N -1 1 327.266 2.380 20 0 EEADMM O=C(OCCSc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606971599 1351388552 /nfs/dbraw/zinc/38/85/52/1351388552.db2.gz CPNHMWSGIYGRNJ-UHFFFAOYSA-N -1 1 327.369 2.211 20 0 EEADMM O=C(OCCSc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606971599 1351388554 /nfs/dbraw/zinc/38/85/54/1351388554.db2.gz CPNHMWSGIYGRNJ-UHFFFAOYSA-N -1 1 327.369 2.211 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCSC[C@@H]1C1CC1 ZINC001607016759 1351398375 /nfs/dbraw/zinc/39/83/75/1351398375.db2.gz CCKOJGVFWQHXAQ-SNVBAGLBSA-N -1 1 335.458 2.286 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCSC[C@@H]1C1CC1 ZINC001607016759 1351398376 /nfs/dbraw/zinc/39/83/76/1351398376.db2.gz CCKOJGVFWQHXAQ-SNVBAGLBSA-N -1 1 335.458 2.286 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC001607031558 1351400760 /nfs/dbraw/zinc/40/07/60/1351400760.db2.gz GRHPTMMXBRRFSZ-GHMZBOCLSA-N -1 1 335.458 2.428 20 0 EEADMM [O-]c1ccc(-c2noc(Cc3cccc(-c4nn[nH]n4)c3)n2)cc1F ZINC001607111075 1351422519 /nfs/dbraw/zinc/42/25/19/1351422519.db2.gz MTJXWUHOWWIVBF-UHFFFAOYSA-N -1 1 338.302 2.352 20 0 EEADMM COc1ccc(CNC(=O)N2CCN(C(C)(C)C)CC2)cc1C(=O)[O-] ZINC001607257705 1351460118 /nfs/dbraw/zinc/46/01/18/1351460118.db2.gz SRCPFGLFQSVWOS-UHFFFAOYSA-N -1 1 349.431 2.019 20 0 EEADMM COc1cccc([C@H](NCc2cccc(S(C)(=O)=O)c2)C(=O)[O-])c1 ZINC001607332003 1351476235 /nfs/dbraw/zinc/47/62/35/1351476235.db2.gz PYKTUGIQNUKJGM-INIZCTEOSA-N -1 1 349.408 2.014 20 0 EEADMM COc1ccccc1N1CC[C@H](N(C)C2(C(=O)[O-])CCCC2)C1=O ZINC001607346104 1351479064 /nfs/dbraw/zinc/47/90/64/1351479064.db2.gz KRTZIGSYKBIMKA-AWEZNQCLSA-N -1 1 332.400 2.130 20 0 EEADMM Cc1cc(CN(C)C[C@H](C)NC(=O)OC(C)(C)C)[nH]c1C(=O)[O-] ZINC001607635489 1351530096 /nfs/dbraw/zinc/53/00/96/1351530096.db2.gz BDMLDVFBLHQZGM-NSHDSACASA-N -1 1 325.409 2.366 20 0 EEADMM Cc1cc(F)ncc1CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001607666435 1351535793 /nfs/dbraw/zinc/53/57/93/1351535793.db2.gz OACFLGYEMZDXAJ-OAHLLOKOSA-N -1 1 343.358 2.270 20 0 EEADMM Cc1ccc([C@H](N)C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC001607755959 1351552441 /nfs/dbraw/zinc/55/24/41/1351552441.db2.gz AZOPLEWVACTQFI-AWEZNQCLSA-N -1 1 333.413 2.497 20 0 EEADMM Cc1ccc(C[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001607779569 1351557161 /nfs/dbraw/zinc/55/71/61/1351557161.db2.gz JATXKGUFZUOCCF-OAHLLOKOSA-N -1 1 344.333 2.336 20 0 EEADMM Cc1ccc(CN2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001607779569 1351557166 /nfs/dbraw/zinc/55/71/66/1351557166.db2.gz JATXKGUFZUOCCF-OAHLLOKOSA-N -1 1 344.333 2.336 20 0 EEADMM Cc1ccccc1CCNC(=O)CN[C@H](C(=O)[O-])C1CCCCC1 ZINC001607880140 1351577779 /nfs/dbraw/zinc/57/77/79/1351577779.db2.gz CKPQYPQEZWUDFO-SFHVURJKSA-N -1 1 332.444 2.277 20 0 EEADMM NCc1nccnc1NCc1ccc(C(=O)[O-])cc1Br ZINC001608257711 1351657621 /nfs/dbraw/zinc/65/76/21/1351657621.db2.gz BJXOFHLTWCLWAS-UHFFFAOYSA-N -1 1 337.177 2.008 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)c1cccs1 ZINC001608387000 1351684071 /nfs/dbraw/zinc/68/40/71/1351684071.db2.gz FRQNUFQYKHWBPT-AWEZNQCLSA-N -1 1 342.380 2.013 20 0 EEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(F)cc1 ZINC001624829644 1352432242 /nfs/dbraw/zinc/43/22/42/1352432242.db2.gz PHODXHAIHMWJJL-HNNXBMFYSA-N -1 1 326.331 2.179 20 0 EEADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3cccc([O-])c3F)cc2)n1 ZINC001626386684 1352461200 /nfs/dbraw/zinc/46/12/00/1352461200.db2.gz JTKAFRZOYMIXBJ-UHFFFAOYSA-N -1 1 340.314 2.068 20 0 EEADMM CSc1nc(CNC(=O)c2ccc3oc(C)nc3c2)cc(=O)[n-]1 ZINC001627728487 1352508136 /nfs/dbraw/zinc/50/81/36/1352508136.db2.gz ZMLIXLSNWVJWSM-UHFFFAOYSA-N -1 1 330.369 2.284 20 0 EEADMM CSCC[C@H](NC(=O)c1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC001640964085 1352716179 /nfs/dbraw/zinc/71/61/79/1352716179.db2.gz UIBJUKMLPUEYME-NSHDSACASA-N -1 1 344.400 2.079 20 0 EEADMM CN1CCc2cc(C(=O)OCC(=O)c3ccc([O-])cc3O)ccc21 ZINC001647147674 1353163738 /nfs/dbraw/zinc/16/37/38/1353163738.db2.gz DLYPSRYWNWNWPY-UHFFFAOYSA-N -1 1 327.336 2.130 20 0 EEADMM COCc1csc(CN[C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1 ZINC001650013313 1353687811 /nfs/dbraw/zinc/68/78/11/1353687811.db2.gz BAWGWCXUDSDSNI-HZPDHXFCSA-N -1 1 335.425 2.041 20 0 EEADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CCCC1)C1=CCCC1 ZINC001388217773 1387261182 /nfs/dbraw/zinc/26/11/82/1387261182.db2.gz FAIZCQWHXAUFEH-UHFFFAOYSA-N -1 1 329.400 2.056 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001651044481 1354037368 /nfs/dbraw/zinc/03/73/68/1354037368.db2.gz LHZKLCLFDKLXOB-UHFFFAOYSA-N -1 1 334.339 2.161 20 0 EEADMM COc1ccsc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346102646 1368137900 /nfs/dbraw/zinc/13/79/00/1368137900.db2.gz 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348.447 2.120 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC001391902181 1389698104 /nfs/dbraw/zinc/69/81/04/1389698104.db2.gz GKANRBHLIOEKTN-LSDHHAIUSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])cc1C ZINC001395068001 1390780988 /nfs/dbraw/zinc/78/09/88/1390780988.db2.gz OENRQLMYEHXNKL-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM C[C@@H](CNC(=O)C12CCC(CC1)CC2)N(C)C(=O)c1ncccc1[O-] ZINC001395096123 1390785145 /nfs/dbraw/zinc/78/51/45/1390785145.db2.gz KLPPFHOTUINPMH-CDJWAVJASA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001395605685 1390844144 /nfs/dbraw/zinc/84/41/44/1390844144.db2.gz XEUHJXWBRTWXAY-LBPRGKRZSA-N -1 1 345.374 2.147 20 0 EEADMM O=C(CC1CC1)NC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001398399648 1392434697 /nfs/dbraw/zinc/43/46/97/1392434697.db2.gz VOSSZEHIYCDRIM-HNNXBMFYSA-N -1 1 339.395 2.175 20 0 EEADMM C[C@@H](CC(=O)N[C@H](C)CNC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001400110056 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/nfs/dbraw/zinc/62/58/90/1403625890.db2.gz UOPVPAMVABTIHH-QWRGUYRKSA-N -1 1 349.464 2.129 20 0 EEADMM CCCC[C@@H](CNc1snc(C)c1-c1nn[n-]n1)NC(=O)CC ZINC001577488150 1403656981 /nfs/dbraw/zinc/65/69/81/1403656981.db2.gz NPOWFFKMRDTTKR-JTQLQIEISA-N -1 1 337.453 2.129 20 0 EEADMM COc1ncc(NC(=O)NC[C@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580136953 1403833851 /nfs/dbraw/zinc/83/38/51/1403833851.db2.gz UZIDQIQFIFBULX-QWRGUYRKSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)C1CCCCCC1 ZINC001580607483 1403863277 /nfs/dbraw/zinc/86/32/77/1403863277.db2.gz XSTWXUOGLVHMRJ-LLVKDONJSA-N -1 1 344.419 2.364 20 0 EEADMM CC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H](CC)O1 ZINC001590522372 1403884719 /nfs/dbraw/zinc/88/47/19/1403884719.db2.gz FKTIECCBWOPMBL-YUMQZZPRSA-N -1 1 328.829 2.370 20 0 EEADMM CC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H](CC)O1 ZINC001590522372 1403884727 /nfs/dbraw/zinc/88/47/27/1403884727.db2.gz FKTIECCBWOPMBL-YUMQZZPRSA-N -1 1 328.829 2.370 20 0 EEADMM CCC[C@H](C)NC(=O)[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001590549713 1403886692 /nfs/dbraw/zinc/88/66/92/1403886692.db2.gz FAUXNLKRDCGGIJ-IUCAKERBSA-N -1 1 340.478 2.250 20 0 EEADMM CCC[C@H](C)NC(=O)[C@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001590549713 1403886699 /nfs/dbraw/zinc/88/66/99/1403886699.db2.gz FAUXNLKRDCGGIJ-IUCAKERBSA-N -1 1 340.478 2.250 20 0 EEADMM CO[C@@H](CNc1snc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC001591333652 1403905506 /nfs/dbraw/zinc/90/55/06/1403905506.db2.gz DSOAUZKSNSZTDL-GFCCVEGCSA-N -1 1 330.417 2.301 20 0 EEADMM CO[C@@H](Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)C1CCCC1 ZINC001591334872 1403905717 /nfs/dbraw/zinc/90/57/17/1403905717.db2.gz XDFLFYFGOSWHRA-INIZCTEOSA-N -1 1 339.399 2.387 20 0 EEADMM C[C@]12CSC[C@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001591780311 1403945562 /nfs/dbraw/zinc/94/55/62/1403945562.db2.gz JIVPFKQHGHMMMF-KBUNVGBDSA-N -1 1 328.854 2.166 20 0 EEADMM C[C@]12CSC[C@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001591780311 1403945566 /nfs/dbraw/zinc/94/55/66/1403945566.db2.gz JIVPFKQHGHMMMF-KBUNVGBDSA-N -1 1 328.854 2.166 20 0 EEADMM Cc1cc(-c2nnn(Cc3ccc(-c4nn[n-]n4)s3)n2)ccc1F ZINC001591834228 1403953744 /nfs/dbraw/zinc/95/37/44/1403953744.db2.gz XEZUCGRIOJPNIA-UHFFFAOYSA-N -1 1 342.363 2.078 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001591889131 1403970447 /nfs/dbraw/zinc/97/04/47/1403970447.db2.gz PQTSUFMFFLHNTG-UONOGXRCSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC001591889131 1403970452 /nfs/dbraw/zinc/97/04/52/1403970452.db2.gz PQTSUFMFFLHNTG-UONOGXRCSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(N2CCC[C@@H](Cc3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001592005519 1403982905 /nfs/dbraw/zinc/98/29/05/1403982905.db2.gz QMVSRROPUBEBLC-LBPRGKRZSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1cc(N2CCC[C@@H](Cc3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001592005519 1403982914 /nfs/dbraw/zinc/98/29/14/1403982914.db2.gz QMVSRROPUBEBLC-LBPRGKRZSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C(C)C)cn2)c1-c1nnn[n-]1 ZINC001592481572 1404701918 /nfs/dbraw/zinc/70/19/18/1404701918.db2.gz CBCQUXPSWAMMLU-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C(C)C)cn2)c1-c1nn[n-]n1 ZINC001592481572 1404701923 /nfs/dbraw/zinc/70/19/23/1404701923.db2.gz CBCQUXPSWAMMLU-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1cccs1 ZINC001592913278 1404729396 /nfs/dbraw/zinc/72/93/96/1404729396.db2.gz BBLHZPQPRTYYAP-CYBMUJFWSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1cccs1 ZINC001592913278 1404729401 /nfs/dbraw/zinc/72/94/01/1404729401.db2.gz BBLHZPQPRTYYAP-CYBMUJFWSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593028855 1404734898 /nfs/dbraw/zinc/73/48/98/1404734898.db2.gz SLJDTFMANHVCJV-NWDGAFQWSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593028855 1404734901 /nfs/dbraw/zinc/73/49/01/1404734901.db2.gz SLJDTFMANHVCJV-NWDGAFQWSA-N -1 1 327.392 2.210 20 0 EEADMM CCc1[nH]c(CN2CCC(c3nnc4n3CCC4)CC2)cc1C(=O)[O-] ZINC001605771528 1404753279 /nfs/dbraw/zinc/75/32/79/1404753279.db2.gz CDKXCEUIUUBIGQ-UHFFFAOYSA-N -1 1 343.431 2.193 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(c3cccc(F)c3)CC2)n1 ZINC001606020067 1404756694 /nfs/dbraw/zinc/75/66/94/1404756694.db2.gz QQDLMQOHZUYRPA-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(c3cccc(F)c3)CC2)n1 ZINC001606020067 1404756698 /nfs/dbraw/zinc/75/66/98/1404756698.db2.gz QQDLMQOHZUYRPA-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM CN(C)c1ncc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC001606163041 1404771377 /nfs/dbraw/zinc/77/13/77/1404771377.db2.gz PCTMURZVCKMREN-UHFFFAOYSA-N -1 1 335.429 2.305 20 0 EEADMM CN1Cc2ccccc2[C@H](N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1 ZINC001606260077 1404778281 /nfs/dbraw/zinc/77/82/81/1404778281.db2.gz VVDZXACGRPJGIJ-GDBMZVCRSA-N -1 1 326.400 2.193 20 0 EEADMM FC(F)CN1CCC[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001606298617 1404780448 /nfs/dbraw/zinc/78/04/48/1404780448.db2.gz ZHBZSQQILFLGIM-LURJTMIESA-N -1 1 349.798 2.118 20 0 EEADMM FC(F)CN1CCC[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606298617 1404780452 /nfs/dbraw/zinc/78/04/52/1404780452.db2.gz ZHBZSQQILFLGIM-LURJTMIESA-N -1 1 349.798 2.118 20 0 EEADMM O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1ccncc1[O-] ZINC001638304158 1404815040 /nfs/dbraw/zinc/81/50/40/1404815040.db2.gz KNAOLCPRLDZLRD-UHFFFAOYSA-N -1 1 347.374 2.495 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)cc1F ZINC001646180752 1404878868 /nfs/dbraw/zinc/87/88/68/1404878868.db2.gz KFFPGBLGAWAFHZ-UHFFFAOYSA-N -1 1 340.298 2.157 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)CCN(C)Cc2cc3ccccc3o2)c1[O-] ZINC001715803395 1405685615 /nfs/dbraw/zinc/68/56/15/1405685615.db2.gz WWCXWWSWSYTISI-UHFFFAOYSA-N -1 1 342.399 2.374 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3cc(C)cc(C)c3C2)co1 ZINC000186721629 1406071791 /nfs/dbraw/zinc/07/17/91/1406071791.db2.gz RRIHJBWCNCOHMW-UHFFFAOYSA-N -1 1 348.424 2.003 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C[C@@H]1CC=CCC1 ZINC001756021519 1408083792 /nfs/dbraw/zinc/08/37/92/1408083792.db2.gz RPQTUQHITVOJPY-ZIAGYGMSSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@H]1CC=CCC1 ZINC001756445028 1408493411 /nfs/dbraw/zinc/49/34/11/1408493411.db2.gz DIEQSGJKCRKPAX-KBPBESRZSA-N -1 1 331.416 2.110 20 0 EEADMM CN(CCCCCCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CC2 ZINC001757430540 1409714042 /nfs/dbraw/zinc/71/40/42/1409714042.db2.gz WLFOITJAFBPSQR-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000308190398 1409807118 /nfs/dbraw/zinc/80/71/18/1409807118.db2.gz JBUMIYOOIMBKLM-UHFFFAOYSA-N -1 1 330.365 2.439 20 0 EEADMM FC(F)Oc1c(Br)cccc1COCc1nn[n-]n1 ZINC001771909348 1409976661 /nfs/dbraw/zinc/97/66/61/1409976661.db2.gz XJLNTYFQIXGVRC-UHFFFAOYSA-N -1 1 335.108 2.280 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2C(=O)[O-])N2CCCC2)o1 ZINC000780513357 761261319 /nfs/dbraw/zinc/26/13/19/761261319.db2.gz OIGKYCXGFURNKB-LSDHHAIUSA-N -1 1 349.431 2.374 20 0 EEADMM CCCC1(C(=O)N2C[C@@H](C)[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001104553271 761840107 /nfs/dbraw/zinc/84/01/07/761840107.db2.gz XHJVQIGHZVOQEU-ZIAGYGMSSA-N -1 1 349.479 2.055 20 0 EEADMM Cc1ccc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])nn1 ZINC001104933333 765598810 /nfs/dbraw/zinc/59/88/10/765598810.db2.gz AYFGRMBEQXOQCV-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM CCCc1nsc(N(C)CCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001112081163 769114415 /nfs/dbraw/zinc/11/44/15/769114415.db2.gz IBYNKLWFZDJCKE-UHFFFAOYSA-N -1 1 349.460 2.190 20 0 EEADMM O=C(c1cccnc1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000920453744 770710580 /nfs/dbraw/zinc/71/05/80/770710580.db2.gz FFDLEUJESAXYQA-UHFFFAOYSA-N -1 1 345.786 2.039 20 0 EEADMM CCN(C(=O)C1CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942639643 782906541 /nfs/dbraw/zinc/90/65/41/782906541.db2.gz LWNKRLKDUZVVPG-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)c1ccoc1C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942660095 782959693 /nfs/dbraw/zinc/95/96/93/782959693.db2.gz MRSRFJBEFHRYOG-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1ccc(F)cc1F)c1ncccc1[O-] ZINC001027844909 773441044 /nfs/dbraw/zinc/44/10/44/773441044.db2.gz YGCLMAHPERYGKC-AWEZNQCLSA-N -1 1 347.365 2.460 20 0 EEADMM Cc1ccc(F)cc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077560557 773527667 /nfs/dbraw/zinc/52/76/67/773527667.db2.gz XEADISOIMZNFAS-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000936630677 773849388 /nfs/dbraw/zinc/84/93/88/773849388.db2.gz XEAYTTSAQJRILC-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC000942754860 783137639 /nfs/dbraw/zinc/13/76/39/783137639.db2.gz RIFWBUYCFZAAKD-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)C1CC(C)(C)C1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942771812 783137145 /nfs/dbraw/zinc/13/71/45/783137145.db2.gz FTAIPMRXBVCXJD-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000938807723 774699515 /nfs/dbraw/zinc/69/95/15/774699515.db2.gz ZDRWRVLXTUSJTN-OLZOCXBDSA-N -1 1 333.432 2.142 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000939134568 775623766 /nfs/dbraw/zinc/62/37/66/775623766.db2.gz FRQZMNGGDBLIBO-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000940134912 778144643 /nfs/dbraw/zinc/14/46/43/778144643.db2.gz URHNEJVYPQCSIK-AUUYWEPGSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC000940387195 778555900 /nfs/dbraw/zinc/55/59/00/778555900.db2.gz WTGQNAOSMFXYLN-KBUPBQIOSA-N -1 1 345.443 2.046 20 0 EEADMM O=C([N-]NC(=O)c1cc(Cl)ccc1O)c1cccnc1Cl ZINC000182580493 779275480 /nfs/dbraw/zinc/27/54/80/779275480.db2.gz SWIYYUBCQJMPRE-UHFFFAOYSA-N -1 1 326.139 2.169 20 0 EEADMM CC(C)C(=O)N1CC2(C[C@@H]1C)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982232404 779338920 /nfs/dbraw/zinc/33/89/20/779338920.db2.gz MNMWLXHOOOUOBF-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CCC1(C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)CCC1 ZINC000940831936 779376824 /nfs/dbraw/zinc/37/68/24/779376824.db2.gz QXOBOOXEYRAIME-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000940832253 779377696 /nfs/dbraw/zinc/37/76/96/779377696.db2.gz AWFFLMLLQBOTAJ-CQSZACIVSA-N -1 1 343.427 2.042 20 0 EEADMM CCn1c(CCNC(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)n[n-]c1=S ZINC000067078158 780548258 /nfs/dbraw/zinc/54/82/58/780548258.db2.gz MNQOIWFREZSFGR-UONOGXRCSA-N -1 1 346.456 2.432 20 0 EEADMM CCc1cnc(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2CC)o1 ZINC001087552320 781812966 /nfs/dbraw/zinc/81/29/66/781812966.db2.gz YJJFQTIWVJUHJB-UONOGXRCSA-N -1 1 344.415 2.121 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3n[n-]c(=S)n3c2)Cc2ccccc2O1 ZINC000817048608 784453414 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O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000908746597 785686111 /nfs/dbraw/zinc/68/61/11/785686111.db2.gz XOEZBDVZTUEPEP-CYBMUJFWSA-N -1 1 349.406 2.161 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ncc(Cl)n2C)c(F)c1 ZINC000819864587 785693148 /nfs/dbraw/zinc/69/31/48/785693148.db2.gz DBAXRENFANMSED-UHFFFAOYSA-N -1 1 335.763 2.139 20 0 EEADMM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccsc1)N(C)C)C1CC1 ZINC000908814696 785749465 /nfs/dbraw/zinc/74/94/65/785749465.db2.gz RPTKPQRQDFZXAP-KBPBESRZSA-N -1 1 339.461 2.388 20 0 EEADMM Cc1c(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)oc2ccc(F)cc12 ZINC000908816677 785751606 /nfs/dbraw/zinc/75/16/06/785751606.db2.gz LKVMIENBSKRCQM-GFCCVEGCSA-N -1 1 348.374 2.293 20 0 EEADMM Cc1ccc2nc(CNC(=O)N([C@H](C)C(=O)[O-])C3CCC3)[nH]c2c1 ZINC000909009366 785909822 /nfs/dbraw/zinc/90/98/22/785909822.db2.gz RAGHVPLVQBGUIN-LLVKDONJSA-N -1 1 330.388 2.409 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(C2CC2)no1 ZINC000820513133 785949958 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KMIZSTOMDSMYCJ-NEPJUHHUSA-N -1 1 330.363 2.332 20 0 EEADMM CSc1nc(CNC(=O)c2cccc(-n3cccn3)c2)cc(=O)[n-]1 ZINC001143613922 792578404 /nfs/dbraw/zinc/57/84/04/792578404.db2.gz XSJYHENRIWJNQU-UHFFFAOYSA-N -1 1 341.396 2.020 20 0 EEADMM Cc1ccnc(NC[C@H]2CCCC[C@@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064171528 792591219 /nfs/dbraw/zinc/59/12/19/792591219.db2.gz NNDDBZWZDXIUIB-KGLIPLIRSA-N -1 1 341.415 2.286 20 0 EEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000010600978 792675233 /nfs/dbraw/zinc/67/52/33/792675233.db2.gz AEFBCAYLBCHQDG-UHFFFAOYSA-N -1 1 335.703 2.029 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])c(Br)c(O)c2)CCO1 ZINC001148995771 792815656 /nfs/dbraw/zinc/81/56/56/792815656.db2.gz HPJWYBBDPHGIIR-CBAPKCEASA-N -1 1 330.178 2.158 20 0 EEADMM Cc1cc(NC(=O)c2cc([O-])c(Br)c(O)c2)cc(=O)o1 ZINC001148981119 792838007 /nfs/dbraw/zinc/83/80/07/792838007.db2.gz CBJFNAPYOIFOMY-UHFFFAOYSA-N -1 1 340.129 2.374 20 0 EEADMM CN(Cc1cscn1)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001089163959 792997572 /nfs/dbraw/zinc/99/75/72/792997572.db2.gz FVIAEGBNCWTBBG-AWEZNQCLSA-N -1 1 346.456 2.370 20 0 EEADMM O=C(NC1(CNC(=O)[C@@H]2CC23CCCC3)CCC1)c1ncccc1[O-] ZINC001064508034 793291625 /nfs/dbraw/zinc/29/16/25/793291625.db2.gz BRCSNSAWLSFJAZ-ZDUSSCGKSA-N -1 1 343.427 2.136 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCC(c4nn[n-]n4)CC3)cc2s1 ZINC000913745258 794211865 /nfs/dbraw/zinc/21/18/65/794211865.db2.gz WGDNMNOAUNJIJA-UHFFFAOYSA-N -1 1 328.401 2.138 20 0 EEADMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000921685504 794754268 /nfs/dbraw/zinc/75/42/68/794754268.db2.gz XBJPMWQPDKSUAM-MRVPVSSYSA-N -1 1 327.233 2.218 20 0 EEADMM CCN(C(=O)C[C@H](C)C(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079475556 794814579 /nfs/dbraw/zinc/81/45/79/794814579.db2.gz SEHJOQZSJVAFJZ-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(NCC1(Nc2cnc(F)cn2)CCCCC1)c1ncccc1[O-] ZINC001093388943 795135714 /nfs/dbraw/zinc/13/57/14/795135714.db2.gz QIPGVVPLSWZVAH-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)cs1 ZINC000946532930 795530005 /nfs/dbraw/zinc/53/00/05/795530005.db2.gz IYXJLVMXTFAFQW-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM CCCCC(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001060979495 796376332 /nfs/dbraw/zinc/37/63/32/796376332.db2.gz HYCOGURFNHRMBM-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM Cc1cnc(C)nc1NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001060588951 796693605 /nfs/dbraw/zinc/69/36/05/796693605.db2.gz DNHXPEIMXYWAIN-UHFFFAOYSA-N -1 1 341.415 2.347 20 0 EEADMM Cc1ccc(F)c(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001078735361 796900533 /nfs/dbraw/zinc/90/05/33/796900533.db2.gz DDYGQMPLRZNMJR-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM CNc1ncc2cc([N-]S(=O)(=O)c3ccc(F)cc3N)ccc2n1 ZINC001174534750 797782719 /nfs/dbraw/zinc/78/27/19/797782719.db2.gz ZVFWEMHYWQDVTF-UHFFFAOYSA-N -1 1 347.375 2.194 20 0 EEADMM CCC(CC)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000286987557 797915792 /nfs/dbraw/zinc/91/57/92/797915792.db2.gz SQZAUQHNJAMMKV-UHFFFAOYSA-N -1 1 338.271 2.206 20 0 EEADMM COc1ccc(N)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001174981535 797962650 /nfs/dbraw/zinc/96/26/50/797962650.db2.gz FOJLULOJJZRQNQ-UHFFFAOYSA-N -1 1 336.369 2.085 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2)C(=O)c1ncccc1[O-] ZINC001002784972 798606775 /nfs/dbraw/zinc/60/67/75/798606775.db2.gz LFELUDAPZJNTNC-BIENJYKASA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)CCCN1CCO[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001176982356 798671608 /nfs/dbraw/zinc/67/16/08/798671608.db2.gz BZOVBJBDXBUIFC-WBVHZDCISA-N -1 1 347.459 2.139 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085442439 800511875 /nfs/dbraw/zinc/51/18/75/800511875.db2.gz VVNGAPMVIHZRLS-VXGBXAGGSA-N -1 1 349.479 2.100 20 0 EEADMM Cc1cc(CN2CC[C@@H](N(C)C(=O)c3n[nH]c(C)c3[O-])C2)cs1 ZINC001033015300 800794732 /nfs/dbraw/zinc/79/47/32/800794732.db2.gz NZOJSCYKXKXDDJ-CYBMUJFWSA-N -1 1 334.445 2.140 20 0 EEADMM CN(C)c1nc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(N=O)c(=O)[n-]1 ZINC001182139855 801042032 /nfs/dbraw/zinc/04/20/32/801042032.db2.gz WEAZKMKASUUKCI-JTQLQIEISA-N -1 1 334.163 2.169 20 0 EEADMM O=C(Cc1cnc2ccccn12)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001182838366 801368941 /nfs/dbraw/zinc/36/89/41/801368941.db2.gz BMLNDIMCVAZYCC-UHFFFAOYSA-N -1 1 333.351 2.407 20 0 EEADMM Cc1cccc2ccn(CC(=O)Nc3[nH]c(=O)[n-]c(=O)c3N=O)c21 ZINC001184193447 801913709 /nfs/dbraw/zinc/91/37/09/801913709.db2.gz FZJDAVCXPVQEKT-UHFFFAOYSA-N -1 1 327.300 2.188 20 0 EEADMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866993120 803722798 /nfs/dbraw/zinc/72/27/98/803722798.db2.gz RWOBBQGWRJDZFN-VIFPVBQESA-N -1 1 341.260 2.464 20 0 EEADMM CCc1cc(C)nc(N[C@@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983114 807786509 /nfs/dbraw/zinc/78/65/09/807786509.db2.gz GAXYUUSSZLDFAL-NEPJUHHUSA-N -1 1 329.404 2.067 20 0 EEADMM Cn1nc(NS(=O)(=O)/C=C\c2ccccc2Cl)cc1C(=O)[O-] ZINC000790004498 808328774 /nfs/dbraw/zinc/32/87/74/808328774.db2.gz BBRXQAWPKVGEFT-SREVYHEPSA-N -1 1 341.776 2.184 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c1 ZINC000790351153 808614683 /nfs/dbraw/zinc/61/46/83/808614683.db2.gz QXZXUMCSNZGXCV-UHFFFAOYSA-N -1 1 344.392 2.427 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(Br)cc3)ccnc1-2 ZINC000791165831 809098988 /nfs/dbraw/zinc/09/89/88/809098988.db2.gz FIYRDNOWYQISGQ-UHFFFAOYSA-N -1 1 345.200 2.286 20 0 EEADMM CCCOc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)c(OC(C)C)c1 ZINC000791492351 809267906 /nfs/dbraw/zinc/26/79/06/809267906.db2.gz ZTCDOVGWJOKUPX-UHFFFAOYSA-N -1 1 349.387 2.041 20 0 EEADMM CC(C)(C)OC(=O)Cc1cccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170226970 809844882 /nfs/dbraw/zinc/84/48/82/809844882.db2.gz DYCWGTDNYSENAA-UHFFFAOYSA-N -1 1 342.359 2.081 20 0 EEADMM CC(C)C(=O)NCCc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170229652 809846809 /nfs/dbraw/zinc/84/68/09/809846809.db2.gz VSIXBUJNQBJPAD-UHFFFAOYSA-N -1 1 340.387 2.117 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])Nc1ncccn1 ZINC001114089605 810322451 /nfs/dbraw/zinc/32/24/51/810322451.db2.gz MORPGZKKWXWZCE-CYBMUJFWSA-N -1 1 329.404 2.176 20 0 EEADMM Cc1ccnc(N[C@@H](CCN(C)C(=O)c2ncccc2[O-])C(C)C)n1 ZINC001114090117 810324913 /nfs/dbraw/zinc/32/49/13/810324913.db2.gz YNCQUSDAUZMXEQ-AWEZNQCLSA-N -1 1 343.431 2.484 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000804475676 810877118 /nfs/dbraw/zinc/87/71/18/810877118.db2.gz SFZWNOOETAVUBU-IAQYHMDHSA-N -1 1 342.424 2.178 20 0 EEADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cn[n-]n1)c1cccc2ccccc21 ZINC000805606405 811371348 /nfs/dbraw/zinc/37/13/48/811371348.db2.gz XBXHEEABJVPIMB-NEPJUHHUSA-N -1 1 338.367 2.381 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)C[C@H]1CCOC1 ZINC000806018922 811707806 /nfs/dbraw/zinc/70/78/06/811707806.db2.gz MOPUBWMEBVCWAO-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CCO[C@@H]1C[C@@H]1C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806019079 811709521 /nfs/dbraw/zinc/70/95/21/811709521.db2.gz OPEPNIQAQUXXJW-DZGCQCFKSA-N -1 1 343.383 2.063 20 0 EEADMM C[C@H]1CC(CCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)C[C@H](C)O1 ZINC000806491275 811880364 /nfs/dbraw/zinc/88/03/64/811880364.db2.gz HHSIYESHTOTXLO-RYUDHWBXSA-N -1 1 331.420 2.057 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)o1 ZINC000806482354 811891879 /nfs/dbraw/zinc/89/18/79/811891879.db2.gz XTTDNKWJIGGGTG-PWSUYJOCSA-N -1 1 325.372 2.380 20 0 EEADMM O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000807431305 812215689 /nfs/dbraw/zinc/21/56/89/812215689.db2.gz DAFIMQKGSKKAPD-AWEZNQCLSA-N -1 1 337.734 2.217 20 0 EEADMM Cc1ccc2c(CN[C@@H](C(=O)[O-])c3ccnn3C)cc(=O)oc2c1C ZINC001600492578 970816127 /nfs/dbraw/zinc/81/61/27/970816127.db2.gz VOYKCDICWPWQBA-MRXNPFEDSA-N -1 1 341.367 2.059 20 0 EEADMM Brc1cccc(CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001573279134 946633182 /nfs/dbraw/zinc/63/31/82/946633182.db2.gz DBEJBXWIRLMWJA-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1cccc(CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001573279134 946633191 /nfs/dbraw/zinc/63/31/91/946633191.db2.gz DBEJBXWIRLMWJA-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM CC(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573556364 946926079 /nfs/dbraw/zinc/92/60/79/946926079.db2.gz PSDJOIQILDQILA-UHFFFAOYSA-N -1 1 327.369 2.061 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)cc2C)c1-c1nnn[n-]1 ZINC000826267775 947773598 /nfs/dbraw/zinc/77/35/98/947773598.db2.gz WFWJVKMFQNYBJJ-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)cc2C)c1-c1nn[n-]n1 ZINC000826267775 947773600 /nfs/dbraw/zinc/77/36/00/947773600.db2.gz WFWJVKMFQNYBJJ-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345080 948019427 /nfs/dbraw/zinc/01/94/27/948019427.db2.gz BFCJFAHIPUFAJT-QWRGUYRKSA-N -1 1 340.387 2.014 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345080 948019433 /nfs/dbraw/zinc/01/94/33/948019433.db2.gz BFCJFAHIPUFAJT-QWRGUYRKSA-N -1 1 340.387 2.014 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(C(F)F)c2)c1-c1nnn[n-]1 ZINC000826348838 948083376 /nfs/dbraw/zinc/08/33/76/948083376.db2.gz HQPNWELGCQABNM-UHFFFAOYSA-N -1 1 334.286 2.282 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(C(F)F)c2)c1-c1nn[n-]n1 ZINC000826348838 948083387 /nfs/dbraw/zinc/08/33/87/948083387.db2.gz HQPNWELGCQABNM-UHFFFAOYSA-N -1 1 334.286 2.282 20 0 EEADMM Cc1oncc1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001570923452 948661655 /nfs/dbraw/zinc/66/16/55/948661655.db2.gz YMTGXQSXGVATHT-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1oncc1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001570923452 948661664 /nfs/dbraw/zinc/66/16/64/948661664.db2.gz YMTGXQSXGVATHT-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001570927329 948709219 /nfs/dbraw/zinc/70/92/19/948709219.db2.gz DNPBUOGFKDJHPE-QMMMGPOBSA-N -1 1 330.298 2.282 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001570927329 948709224 /nfs/dbraw/zinc/70/92/24/948709224.db2.gz DNPBUOGFKDJHPE-QMMMGPOBSA-N -1 1 330.298 2.282 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC001570928225 948728592 /nfs/dbraw/zinc/72/85/92/948728592.db2.gz UYHZDRUNBIOOFK-WDEREUQCSA-N -1 1 327.373 2.001 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1ccsc1 ZINC001570928225 948728596 /nfs/dbraw/zinc/72/85/96/948728596.db2.gz UYHZDRUNBIOOFK-WDEREUQCSA-N -1 1 327.373 2.001 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573756231 948804787 /nfs/dbraw/zinc/80/47/87/948804787.db2.gz OORPXXJXSNHLGU-QMMMGPOBSA-N -1 1 330.298 2.282 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573756231 948804801 /nfs/dbraw/zinc/80/48/01/948804801.db2.gz OORPXXJXSNHLGU-QMMMGPOBSA-N -1 1 330.298 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001570936007 949010655 /nfs/dbraw/zinc/01/06/55/949010655.db2.gz STSJIKUCKOMZTP-WCQYABFASA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001570936007 949010673 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CSCc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001570942404 949283678 /nfs/dbraw/zinc/28/36/78/949283678.db2.gz OTLFYWHIEXRASC-UHFFFAOYSA-N -1 1 340.412 2.306 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001570945451 949480775 /nfs/dbraw/zinc/48/07/75/949480775.db2.gz ZLQJAYRJYGSGGW-GIPNMCIBSA-N -1 1 345.407 2.217 20 0 EEADMM CCOC(=O)c1cccc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[nH]c21 ZINC001591197054 951093329 /nfs/dbraw/zinc/09/33/29/951093329.db2.gz JGBVAFQSGHEJDJ-NSHDSACASA-N -1 1 347.371 2.425 20 0 EEADMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000397498838 951565725 /nfs/dbraw/zinc/56/57/25/951565725.db2.gz PVXWTELZOHPRHO-JQWIXIFHSA-N -1 1 335.791 2.335 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC001589273599 953437260 /nfs/dbraw/zinc/43/72/60/953437260.db2.gz DFVOCXDWSIFJKB-BNOWGMLFSA-N -1 1 339.461 2.103 20 0 EEADMM CCc1ccc2c(CN[C@@H](C(=O)[O-])c3ccnn3C)cc(=O)oc2c1 ZINC001593641007 953645769 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/nfs/dbraw/zinc/92/90/91/996929091.db2.gz KQVNXVFLSPLGDJ-CQSZACIVSA-N -1 1 337.416 2.014 20 0 EEADMM COC1(c2nccn2C)CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001599092897 997225046 /nfs/dbraw/zinc/22/50/46/997225046.db2.gz JORLYNOZRCFIHX-UHFFFAOYSA-N -1 1 347.390 2.395 20 0 EEADMM COc1cc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)ccc1C(=O)[O-] ZINC001599408804 997382415 /nfs/dbraw/zinc/38/24/15/997382415.db2.gz GEMGVUYORUQMRF-QFYYESIMSA-N -1 1 343.383 2.099 20 0 EEADMM CON(C(=O)c1[nH]nc(C(C)C)c1Br)[C@@H](C)CC(=O)[O-] ZINC001599313896 997464616 /nfs/dbraw/zinc/46/46/16/997464616.db2.gz SFGKYKCKVVVKRT-ZETCQYMHSA-N -1 1 348.197 2.162 20 0 EEADMM CO[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2O)[C@@H](C(=O)[O-])C1 ZINC001599123880 997797824 /nfs/dbraw/zinc/79/78/24/997797824.db2.gz WWVQOHZJLUJKMJ-LDYMZIIASA-N -1 1 347.289 2.115 20 0 EEADMM COc1cc(OC)cc([C@@H](N[C@H](C)c2cnn(C)c2C)C(=O)[O-])c1 ZINC001599451801 998116130 /nfs/dbraw/zinc/11/61/30/998116130.db2.gz AYQRNEDEHKHHMT-QLJPJBMISA-N -1 1 333.388 2.222 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](Oc3ncccc3F)C2)O1 ZINC001594103534 998137244 /nfs/dbraw/zinc/13/72/44/998137244.db2.gz YGOYZKXKHHWGDZ-CHWSQXEVSA-N -1 1 336.363 2.211 20 0 EEADMM COc1ccc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])c2ccccc12 ZINC001599561060 998195987 /nfs/dbraw/zinc/19/59/87/998195987.db2.gz CHVLHIOBTRUBNK-INIZCTEOSA-N -1 1 342.395 2.014 20 0 EEADMM COCCO[C@]12CCC[C@@]1(NCc1cc(C(=O)[O-])c(C)o1)CCO2 ZINC001599253010 998264421 /nfs/dbraw/zinc/26/44/21/998264421.db2.gz XVVVBVZRWUESIS-IAGOWNOFSA-N -1 1 339.388 2.078 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc3cncn3c2C)c1O ZINC001599361274 998265585 /nfs/dbraw/zinc/26/55/85/998265585.db2.gz FEKGXDRAYGJZDV-UHFFFAOYSA-N -1 1 341.323 2.307 20 0 EEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cn(Cc2ccccc2)nn1 ZINC001594209920 998814207 /nfs/dbraw/zinc/81/42/07/998814207.db2.gz KGBQNSSVJDNRIN-ZIAGYGMSSA-N -1 1 328.416 2.400 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)c3oc(C(=O)[O-])cc3C)[nH]c21 ZINC001599001074 998823043 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EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])Cc1cnc(Cl)s1 ZINC001438862343 1091496047 /nfs/dbraw/zinc/49/60/47/1091496047.db2.gz ABLGAVMSRUYXHI-UHFFFAOYSA-N -1 1 340.836 2.101 20 0 EEADMM CCC(CC)[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001445893762 1091822035 /nfs/dbraw/zinc/82/20/35/1091822035.db2.gz YOWWCKIFPKGUKW-KCQAQPDRSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c1F ZINC001448550925 1093594001 /nfs/dbraw/zinc/59/40/01/1093594001.db2.gz ONRHTISVBZEHMV-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CCCC[C@@H](C(=O)NCCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001448943604 1093958300 /nfs/dbraw/zinc/95/83/00/1093958300.db2.gz JAGXUNYGJYHSNA-CQSZACIVSA-N -1 1 335.448 2.438 20 0 EEADMM O=C(NC[C@@H](CO)Cc1ccco1)c1ccc2ccc(O)cc2c1[O-] ZINC001441103773 1094409085 /nfs/dbraw/zinc/40/90/85/1094409085.db2.gz USEPQVPAOBMOEY-LBPRGKRZSA-N -1 1 341.363 2.425 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CC[C@@H](SC)C2)c(=O)[n-]1 ZINC001450370964 1094621731 /nfs/dbraw/zinc/62/17/31/1094621731.db2.gz NNIXIGJMYVXUPF-SNVBAGLBSA-N -1 1 327.475 2.109 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001450789204 1095235596 /nfs/dbraw/zinc/23/55/96/1095235596.db2.gz ZAPGMIIYUPFIEN-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001451161714 1095929699 /nfs/dbraw/zinc/92/96/99/1095929699.db2.gz KUNXRBRMELLWIT-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001443203465 1097655547 /nfs/dbraw/zinc/65/55/47/1097655547.db2.gz IKDVRIUZIBWQNG-OLZOCXBDSA-N -1 1 347.459 2.436 20 0 EEADMM CCOC(=O)[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC001443622268 1098117505 /nfs/dbraw/zinc/11/75/05/1098117505.db2.gz JGGHZQIEILFEHN-GFCCVEGCSA-N -1 1 342.189 2.226 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CC(C)(C)C1CC1 ZINC001443782020 1098270226 /nfs/dbraw/zinc/27/02/26/1098270226.db2.gz QLHSSWXABYJBEZ-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H]1[C@@H](NC(=O)CCC2(C)CC2)CCN1C(=O)c1ncccc1[O-] ZINC001444399185 1098997827 /nfs/dbraw/zinc/99/78/27/1098997827.db2.gz WDJAXLDSMKLHAG-STQMWFEESA-N -1 1 331.416 2.087 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001444501799 1099231577 /nfs/dbraw/zinc/23/15/77/1099231577.db2.gz ATTNEBFMZOOIJC-CHWSQXEVSA-N -1 1 333.432 2.333 20 0 EEADMM CN(C(=O)CCC1(C)CC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001446637065 1101149577 /nfs/dbraw/zinc/14/95/77/1101149577.db2.gz YPXIZQRDOXGCDX-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C(F)(F)F ZINC001495511246 1101224456 /nfs/dbraw/zinc/22/44/56/1101224456.db2.gz ZPVJDLBQSYFDSS-SECBINFHSA-N -1 1 347.337 2.000 20 0 EEADMM C[C@H](NC(=O)C(C)(C)C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001446891071 1101562164 /nfs/dbraw/zinc/56/21/64/1101562164.db2.gz GIHAVZLYGFTLMF-QWHCGFSZSA-N -1 1 333.432 2.333 20 0 EEADMM O=C(CCC1CCCCC1)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001498693474 1107944034 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CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C1CC1)C1CC1 ZINC001457594953 1109686168 /nfs/dbraw/zinc/68/61/68/1109686168.db2.gz CCVVKBUCQGUSAQ-AWEZNQCLSA-N -1 1 345.443 2.094 20 0 EEADMM COCCn1c(=O)cc([O-])nc1SCc1cccc2ncccc12 ZINC001459282862 1110135738 /nfs/dbraw/zinc/13/57/38/1110135738.db2.gz PCOVSMNJQBUCAW-UHFFFAOYSA-N -1 1 343.408 2.436 20 0 EEADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2c([O-])cccc2OC)cn1 ZINC001465819714 1110424433 /nfs/dbraw/zinc/42/44/33/1110424433.db2.gz VHLFHPQQXBIYGW-UHFFFAOYSA-N -1 1 347.371 2.148 20 0 EEADMM O=C(Nc1c[nH]c(C(=O)N2CCCC2)c1)c1c(F)ccc([O-])c1F ZINC001466675844 1110440765 /nfs/dbraw/zinc/44/07/65/1110440765.db2.gz XICLRAMQOAZYFZ-UHFFFAOYSA-N -1 1 335.310 2.487 20 0 EEADMM CSCC[C@H](NC(=O)Nc1nsc2ccccc21)c1nn[n-]n1 ZINC001466987211 1110447538 /nfs/dbraw/zinc/44/75/38/1110447538.db2.gz JDPPAODYPVTKCE-VIFPVBQESA-N -1 1 349.445 2.425 20 0 EEADMM COc1cccnc1CNC(=O)c1cc(Br)ccc1[O-] ZINC001469044156 1110484309 /nfs/dbraw/zinc/48/43/09/1110484309.db2.gz 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486190467 /nfs/dbraw/zinc/19/04/67/486190467.db2.gz GVYAQBWWGALZEJ-INIZCTEOSA-N -1 1 332.367 2.280 20 0 EEADMM COCCCNC(=O)[C@H](C)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000682187377 486433539 /nfs/dbraw/zinc/43/35/39/486433539.db2.gz UBUPORRIHBZCAB-AWEZNQCLSA-N -1 1 348.443 2.105 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H](c1ccnn1C)C(C)C ZINC000682684263 486535790 /nfs/dbraw/zinc/53/57/90/486535790.db2.gz DPCATRWNIWAMBM-NSHDSACASA-N -1 1 349.460 2.116 20 0 EEADMM C[C@@]1(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC(=O)N1 ZINC000345833876 490752249 /nfs/dbraw/zinc/75/22/49/490752249.db2.gz JPZOAZPMARWXCJ-QGZVFWFLSA-N -1 1 328.372 2.170 20 0 EEADMM Cc1ccc(CN2CC[C@H](NC(=O)c3cc(F)ccc3[O-])C2=O)cc1 ZINC000192298531 533953548 /nfs/dbraw/zinc/95/35/48/533953548.db2.gz ZHRFZSLASFOJTR-INIZCTEOSA-N -1 1 342.370 2.371 20 0 EEADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000183420089 534144510 /nfs/dbraw/zinc/14/45/10/534144510.db2.gz BFEZYRIOWIJHMV-QWRGUYRKSA-N -1 1 337.811 2.191 20 0 EEADMM CCOc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)cc(Cl)c1[O-] ZINC000187007120 528216609 /nfs/dbraw/zinc/21/66/09/528216609.db2.gz ZTFPYQKOMQVUCF-BXKDBHETSA-N -1 1 340.807 2.170 20 0 EEADMM CCCOc1ccc(CCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000183445737 528657866 /nfs/dbraw/zinc/65/78/66/528657866.db2.gz OHDWGGSTPXXCBC-CYBMUJFWSA-N -1 1 331.420 2.183 20 0 EEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(c1)ncn2C ZINC000421222106 536542880 /nfs/dbraw/zinc/54/28/80/536542880.db2.gz BKBPGWUEENQFOM-CYBMUJFWSA-N -1 1 325.434 2.376 20 0 EEADMM CCOC(=O)N(C)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000496210766 535766494 /nfs/dbraw/zinc/76/64/94/535766494.db2.gz ADBPJMACIQHBIU-UHFFFAOYSA-N -1 1 342.342 2.363 20 0 EEADMM O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738118052 577999973 /nfs/dbraw/zinc/99/99/73/577999973.db2.gz WDJGJNQUVGHSBZ-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738118052 577999974 /nfs/dbraw/zinc/99/99/74/577999974.db2.gz WDJGJNQUVGHSBZ-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(Nc1ccc2ncsc2c1)N1CCC(c2nn[n-]n2)CC1 ZINC000738177637 578002512 /nfs/dbraw/zinc/00/25/12/578002512.db2.gz KWYNOGCIVACGDB-UHFFFAOYSA-N -1 1 329.389 2.221 20 0 EEADMM O=C(OCc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236012 578005363 /nfs/dbraw/zinc/00/53/63/578005363.db2.gz PECBLCNPFLQUEF-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236012 578005364 /nfs/dbraw/zinc/00/53/64/578005364.db2.gz PECBLCNPFLQUEF-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccc(F)c1)C1CC1 ZINC000738258220 578006365 /nfs/dbraw/zinc/00/63/65/578006365.db2.gz IICVWIIXDVCLEB-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccc(F)c1)C1CC1 ZINC000738258220 578006366 /nfs/dbraw/zinc/00/63/66/578006366.db2.gz IICVWIIXDVCLEB-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1ccccc1 ZINC000738258633 578006374 /nfs/dbraw/zinc/00/63/74/578006374.db2.gz JHKWFQCQQQSGMF-HNNXBMFYSA-N -1 1 334.383 2.109 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1ccccc1 ZINC000738258633 578006375 /nfs/dbraw/zinc/00/63/75/578006375.db2.gz JHKWFQCQQQSGMF-HNNXBMFYSA-N -1 1 334.383 2.109 20 0 EEADMM Oc1ccccc1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738401955 578013009 /nfs/dbraw/zinc/01/30/09/578013009.db2.gz YCDMYERDUWQTLN-UHFFFAOYSA-N -1 1 333.355 2.170 20 0 EEADMM Oc1ccccc1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738401955 578013010 /nfs/dbraw/zinc/01/30/10/578013010.db2.gz YCDMYERDUWQTLN-UHFFFAOYSA-N -1 1 333.355 2.170 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCSC2)o1 ZINC000729208943 576612267 /nfs/dbraw/zinc/61/22/67/576612267.db2.gz GFEJFUCGPOIPGF-VIFPVBQESA-N -1 1 333.431 2.019 20 0 EEADMM COc1ccc(Cl)cc1-c1n[nH]c(SC[C@H](O)CC(=O)[O-])n1 ZINC000738015831 576677314 /nfs/dbraw/zinc/67/73/14/576677314.db2.gz IUSBCBMNFOMIGE-MRVPVSSYSA-N -1 1 343.792 2.061 20 0 EEADMM O=C(COC(=O)C1CC=CC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000741044262 577022441 /nfs/dbraw/zinc/02/24/41/577022441.db2.gz LOJYDOKSYAKCHG-UHFFFAOYSA-N -1 1 339.294 2.054 20 0 EEADMM O=C(CSc1ncco1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000772248168 577259273 /nfs/dbraw/zinc/25/92/73/577259273.db2.gz QLOLGCFHMHVUHS-UHFFFAOYSA-N -1 1 328.296 2.325 20 0 EEADMM CNC(=O)Nc1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773747252 577362472 /nfs/dbraw/zinc/36/24/72/577362472.db2.gz DITMYCKTPPPGCA-UHFFFAOYSA-N -1 1 342.384 2.022 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774067105 577381208 /nfs/dbraw/zinc/38/12/08/577381208.db2.gz XJYQNEGAXGNVAU-NWDGAFQWSA-N -1 1 334.445 2.342 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774909998 577422877 /nfs/dbraw/zinc/42/28/77/577422877.db2.gz RXACVLSKRWFSID-UHFFFAOYSA-N -1 1 333.306 2.294 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)[C@H](C)CCC(C)(C)C ZINC000777361698 577477213 /nfs/dbraw/zinc/47/72/13/577477213.db2.gz 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577667092 /nfs/dbraw/zinc/66/70/92/577667092.db2.gz QINFCUGCERWSFQ-LBPRGKRZSA-N -1 1 327.384 2.217 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000753339075 577785309 /nfs/dbraw/zinc/78/53/09/577785309.db2.gz ZHAFQSZVDQPUMJ-ZDUSSCGKSA-N -1 1 349.431 2.229 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCOC2CCCCCC2)co1 ZINC000756403963 577843508 /nfs/dbraw/zinc/84/35/08/577843508.db2.gz LGLSGNDDDKTHPH-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM O=C(C=C1CCC1)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000756730264 577849527 /nfs/dbraw/zinc/84/95/27/577849527.db2.gz XLEFTYVCYNAHEW-UHFFFAOYSA-N -1 1 339.294 2.198 20 0 EEADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000743729947 577889330 /nfs/dbraw/zinc/88/93/30/577889330.db2.gz LAYJFBVROZBAJP-UHFFFAOYSA-N -1 1 343.412 2.416 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1nnc(C)o1 ZINC000744563319 577899991 /nfs/dbraw/zinc/89/99/91/577899991.db2.gz OKLMTUQYDIWIFO-VIFPVBQESA-N -1 1 339.373 2.058 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCn1cnc2ccccc21 ZINC000747371734 577943085 /nfs/dbraw/zinc/94/30/85/577943085.db2.gz WYKQGNBERQGEEG-UHFFFAOYSA-N -1 1 339.399 2.394 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 ZINC000747551486 577946165 /nfs/dbraw/zinc/94/61/65/577946165.db2.gz BJTYVHROVCDTML-DOMZBBRYSA-N -1 1 343.427 2.336 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCC(N2CCCNC2=O)CC1 ZINC000749292874 577974154 /nfs/dbraw/zinc/97/41/54/577974154.db2.gz VZKDYJDXUZMAJI-UHFFFAOYSA-N -1 1 337.807 2.066 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2cccc(C(=O)[O-])n2)N2CCCC2)o1 ZINC000738566237 578019581 /nfs/dbraw/zinc/01/95/81/578019581.db2.gz BLMDPOGZGMCCOU-OAHLLOKOSA-N -1 1 343.383 2.248 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4C(=O)[O-])C3)[nH]c2c1 ZINC000738667151 578023288 /nfs/dbraw/zinc/02/32/88/578023288.db2.gz DNQSYFDSBLGLGO-JHJVBQTASA-N -1 1 327.384 2.298 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738915542 578030960 /nfs/dbraw/zinc/03/09/60/578030960.db2.gz NVLIIIPIURYQSJ-UHFFFAOYSA-N -1 1 347.755 2.020 20 0 EEADMM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000739545212 578057834 /nfs/dbraw/zinc/05/78/34/578057834.db2.gz RRKNZGRWDQCISW-MSOLQXFVSA-N -1 1 338.407 2.205 20 0 EEADMM CC(C)Oc1cccc([C@H](O)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000735912598 578173478 /nfs/dbraw/zinc/17/34/78/578173478.db2.gz GDVHTYRSJYCILR-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1cccc([C@H](O)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000735912598 578173479 /nfs/dbraw/zinc/17/34/79/578173479.db2.gz GDVHTYRSJYCILR-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000736157734 578183587 /nfs/dbraw/zinc/18/35/87/578183587.db2.gz LLYYFLUXHMWLBX-VIFPVBQESA-N -1 1 335.327 2.056 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000736157734 578183588 /nfs/dbraw/zinc/18/35/88/578183588.db2.gz LLYYFLUXHMWLBX-VIFPVBQESA-N -1 1 335.327 2.056 20 0 EEADMM C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1-c1ccccc1 ZINC000736206793 578187204 /nfs/dbraw/zinc/18/72/04/578187204.db2.gz FKSNEJKDIOWJGG-AWEZNQCLSA-N -1 1 326.396 2.375 20 0 EEADMM CC1CCC(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)CC1 ZINC000736241497 578189374 /nfs/dbraw/zinc/18/93/74/578189374.db2.gz PFURRRKZZSWCQV-UHFFFAOYSA-N -1 1 326.404 2.445 20 0 EEADMM CC1CCC(N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)CC1 ZINC000736241497 578189375 /nfs/dbraw/zinc/18/93/75/578189375.db2.gz PFURRRKZZSWCQV-UHFFFAOYSA-N -1 1 326.404 2.445 20 0 EEADMM C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290912 578193685 /nfs/dbraw/zinc/19/36/85/578193685.db2.gz KRSLITNEHQQGFO-SJKOYZFVSA-N -1 1 348.410 2.012 20 0 EEADMM C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290912 578193686 /nfs/dbraw/zinc/19/36/86/578193686.db2.gz KRSLITNEHQQGFO-SJKOYZFVSA-N -1 1 348.410 2.012 20 0 EEADMM CC(C)(C)c1nc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3)CCO2)n[nH]1 ZINC000736299698 578194059 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CC[C@@H]1CN(CCn2cccn2)CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000736944939 578230259 /nfs/dbraw/zinc/23/02/59/578230259.db2.gz VXIWEHZTQBXJGY-OAHLLOKOSA-N -1 1 346.431 2.079 20 0 EEADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737426077 578256985 /nfs/dbraw/zinc/25/69/85/578256985.db2.gz JBOYVPZFLVFSLK-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737426077 578256986 /nfs/dbraw/zinc/25/69/86/578256986.db2.gz JBOYVPZFLVFSLK-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Clc1nsc(NCc2cn3c(n2)CCCC3)c1-c1nn[n-]n1 ZINC000737582807 578265585 /nfs/dbraw/zinc/26/55/85/578265585.db2.gz FPLCSZLEUUFNKW-UHFFFAOYSA-N -1 1 336.812 2.122 20 0 EEADMM COc1cc2nc(CN(CCC(=O)[O-])C(C)C)[nH]c(=O)c2cc1OC ZINC000737910138 578272666 /nfs/dbraw/zinc/27/26/66/578272666.db2.gz UEWSGICTPJWTFC-UHFFFAOYSA-N -1 1 349.387 2.038 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026690 578276981 /nfs/dbraw/zinc/27/69/81/578276981.db2.gz 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/nfs/dbraw/zinc/02/20/18/605022018.db2.gz QMHIBLLDRIQJMH-NSHDSACASA-N -1 1 345.403 2.229 20 0 EEADMM CN(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)[C@H]1CCSC1 ZINC000833690988 605049146 /nfs/dbraw/zinc/04/91/46/605049146.db2.gz GFVLJJSMSTXVSF-OLZOCXBDSA-N -1 1 334.441 2.029 20 0 EEADMM C[C@@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000833635702 605074762 /nfs/dbraw/zinc/07/47/62/605074762.db2.gz WFOUQKPIFAYEQM-BETUJISGSA-N -1 1 345.399 2.276 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1C(C)C ZINC000833742205 605103997 /nfs/dbraw/zinc/10/39/97/605103997.db2.gz HZQBBFOFAXTXDN-AWEZNQCLSA-N -1 1 335.448 2.307 20 0 EEADMM CC1CCC(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CC1 ZINC000833605079 605137611 /nfs/dbraw/zinc/13/76/11/605137611.db2.gz WVRVRIVUVOUEJV-SHARSMKWSA-N -1 1 325.453 2.003 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833385137 605167637 /nfs/dbraw/zinc/16/76/37/605167637.db2.gz GNJDSWWWVLYSLB-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)(NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000833461393 605170858 /nfs/dbraw/zinc/17/08/58/605170858.db2.gz SYAREIVBBRKSGA-UHFFFAOYSA-N -1 1 340.370 2.113 20 0 EEADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073348 606160491 /nfs/dbraw/zinc/16/04/91/606160491.db2.gz SJXHZQOZQUHUSH-AAEUAGOBSA-N -1 1 346.439 2.327 20 0 EEADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820073348 606160492 /nfs/dbraw/zinc/16/04/92/606160492.db2.gz SJXHZQOZQUHUSH-AAEUAGOBSA-N -1 1 346.439 2.327 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2ncc[nH]2)nc1-c1nnn[n-]1 ZINC000822579254 606481040 /nfs/dbraw/zinc/48/10/40/606481040.db2.gz ZLGAXKFLDVZICD-SNVBAGLBSA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2ncc[nH]2)nc1-c1nn[n-]n1 ZINC000822579254 606481042 /nfs/dbraw/zinc/48/10/42/606481042.db2.gz ZLGAXKFLDVZICD-SNVBAGLBSA-N -1 1 330.783 2.370 20 0 EEADMM COc1cc(Cl)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821717711 606516916 /nfs/dbraw/zinc/51/69/16/606516916.db2.gz VNOIESLZOSKRBP-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(Cl)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821717711 606516918 /nfs/dbraw/zinc/51/69/18/606516918.db2.gz VNOIESLZOSKRBP-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CCCN(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821109954 606597114 /nfs/dbraw/zinc/59/71/14/606597114.db2.gz UPAPDHQXUDFAIQ-UHFFFAOYSA-N -1 1 340.391 2.044 20 0 EEADMM CCCN(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821109954 606597116 /nfs/dbraw/zinc/59/71/16/606597116.db2.gz UPAPDHQXUDFAIQ-UHFFFAOYSA-N -1 1 340.391 2.044 20 0 EEADMM CS[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821943028 606651732 /nfs/dbraw/zinc/65/17/32/606651732.db2.gz SDLYCWLTYVOLSB-AWEZNQCLSA-N -1 1 341.396 2.409 20 0 EEADMM CS[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821943028 606651733 /nfs/dbraw/zinc/65/17/33/606651733.db2.gz SDLYCWLTYVOLSB-AWEZNQCLSA-N -1 1 341.396 2.409 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1coc(-c2ccccc2)n1 ZINC000823436157 606653097 /nfs/dbraw/zinc/65/30/97/606653097.db2.gz JVMIVETXZDQFAU-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1coc(-c2ccccc2)n1 ZINC000823436157 606653098 /nfs/dbraw/zinc/65/30/98/606653098.db2.gz JVMIVETXZDQFAU-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CSc2ccccc21 ZINC000823436381 606653329 /nfs/dbraw/zinc/65/33/29/606653329.db2.gz SKLXZKUVQJMTKN-GFCCVEGCSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CSc2ccccc21 ZINC000823436381 606653330 /nfs/dbraw/zinc/65/33/30/606653330.db2.gz SKLXZKUVQJMTKN-GFCCVEGCSA-N -1 1 339.380 2.194 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820054606 606697561 /nfs/dbraw/zinc/69/75/61/606697561.db2.gz CGDHCWJWGUUFIB-NSHDSACASA-N -1 1 333.392 2.352 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820925595 607103990 /nfs/dbraw/zinc/10/39/90/607103990.db2.gz KCWMFJBOUWJKEF-SNVBAGLBSA-N -1 1 329.389 2.152 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820925595 607103991 /nfs/dbraw/zinc/10/39/91/607103991.db2.gz KCWMFJBOUWJKEF-SNVBAGLBSA-N -1 1 329.389 2.152 20 0 EEADMM Cc1cc(F)ccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826269051 607852329 /nfs/dbraw/zinc/85/23/29/607852329.db2.gz YVNOOODFUUCDLZ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Clc1nsc(NCCc2cnc(C3CC3)nc2)c1-c1nnn[n-]1 ZINC000826354273 607904116 /nfs/dbraw/zinc/90/41/16/607904116.db2.gz WHONNTOULRBICO-UHFFFAOYSA-N -1 1 348.823 2.299 20 0 EEADMM Clc1nsc(NCCc2cnc(C3CC3)nc2)c1-c1nn[n-]n1 ZINC000826354273 607904117 /nfs/dbraw/zinc/90/41/17/607904117.db2.gz WHONNTOULRBICO-UHFFFAOYSA-N -1 1 348.823 2.299 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)nc2c1 ZINC000826524540 607989547 /nfs/dbraw/zinc/98/95/47/607989547.db2.gz YZCCAONOLUVKQT-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)nc2c1 ZINC000826524540 607989548 /nfs/dbraw/zinc/98/95/48/607989548.db2.gz YZCCAONOLUVKQT-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(c2cccc(F)c2)CC1 ZINC000826451271 607999014 /nfs/dbraw/zinc/99/90/14/607999014.db2.gz YJNVENVVZMYKOP-UHFFFAOYSA-N -1 1 339.330 2.382 20 0 EEADMM Fc1ccccc1-c1nc(Cn2ccnc2-c2nnn[n-]2)cs1 ZINC000826377921 608012785 /nfs/dbraw/zinc/01/27/85/608012785.db2.gz MHGDQNNIPJQCIQ-UHFFFAOYSA-N -1 1 327.348 2.374 20 0 EEADMM Fc1ccccc1-c1nc(Cn2ccnc2-c2nn[n-]n2)cs1 ZINC000826377921 608012786 /nfs/dbraw/zinc/01/27/86/608012786.db2.gz MHGDQNNIPJQCIQ-UHFFFAOYSA-N -1 1 327.348 2.374 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000826298009 608163236 /nfs/dbraw/zinc/16/32/36/608163236.db2.gz ZEVQQWOQFWOMQT-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000826298009 608163237 /nfs/dbraw/zinc/16/32/37/608163237.db2.gz ZEVQQWOQFWOMQT-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Clc1nsc(Nc2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826354552 608168915 /nfs/dbraw/zinc/16/89/15/608168915.db2.gz JXFRWPHWQOXHAU-UHFFFAOYSA-N -1 1 336.764 2.491 20 0 EEADMM Clc1nsc(Nc2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826354552 608168917 /nfs/dbraw/zinc/16/89/17/608168917.db2.gz JXFRWPHWQOXHAU-UHFFFAOYSA-N -1 1 336.764 2.491 20 0 EEADMM COc1cc(Br)cc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000826176943 608233894 /nfs/dbraw/zinc/23/38/94/608233894.db2.gz KWHJRFSSMHXASK-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Br)cc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000826176943 608233895 /nfs/dbraw/zinc/23/38/95/608233895.db2.gz KWHJRFSSMHXASK-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM Cc1nc(CCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000826325849 608398831 /nfs/dbraw/zinc/39/88/31/608398831.db2.gz OAQFJFKMWHXHPP-UHFFFAOYSA-N -1 1 338.396 2.189 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826369131 608403805 /nfs/dbraw/zinc/40/38/05/608403805.db2.gz OJFBRVLROASIGI-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826369131 608403806 /nfs/dbraw/zinc/40/38/06/608403806.db2.gz OJFBRVLROASIGI-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521085 608405749 /nfs/dbraw/zinc/40/57/49/608405749.db2.gz ZGYGHOLZXAVSJM-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521085 608405751 /nfs/dbraw/zinc/40/57/51/608405751.db2.gz ZGYGHOLZXAVSJM-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826374179 608418736 /nfs/dbraw/zinc/41/87/36/608418736.db2.gz ONRBWBZFVXBPFN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826374179 608418737 /nfs/dbraw/zinc/41/87/37/608418737.db2.gz ONRBWBZFVXBPFN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Cc1ccccc1[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826306787 608710035 /nfs/dbraw/zinc/71/00/35/608710035.db2.gz LHKUSZYGFUVZOM-MRXNPFEDSA-N -1 1 325.372 2.342 20 0 EEADMM Cc1nc(SCc2cccc(-c3nn[nH]n3)c2F)[n-]c(=O)c1C ZINC000826327337 609180576 /nfs/dbraw/zinc/18/05/76/609180576.db2.gz DBXPCBUQIZAOQY-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM Cn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccccn1 ZINC000157493704 674677015 /nfs/dbraw/zinc/67/70/15/674677015.db2.gz IJHHMCIJSREXGG-UHFFFAOYSA-N -1 1 345.350 2.038 20 0 EEADMM C[C@@H]1CN(C(=O)CC2CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020724490 675451665 /nfs/dbraw/zinc/45/16/65/675451665.db2.gz XJWSRHDRBOLOJZ-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCN(Cc2cccnc2)CC1 ZINC000144404812 675656246 /nfs/dbraw/zinc/65/62/46/675656246.db2.gz GODSIORWLZVLKC-UHFFFAOYSA-N -1 1 331.803 2.399 20 0 EEADMM COc1ccc(F)c(OC)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615667 676723086 /nfs/dbraw/zinc/72/30/86/676723086.db2.gz RYCSHIFEWOQMGK-UHFFFAOYSA-N -1 1 347.346 2.470 20 0 EEADMM CN(C)C(=O)c1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891620989 676730169 /nfs/dbraw/zinc/73/01/69/676730169.db2.gz DFVFYHHNQSTMHW-UHFFFAOYSA-N -1 1 340.383 2.015 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H](c1ccccc1)n1cccn1 ZINC000891622785 676731535 /nfs/dbraw/zinc/73/15/35/676731535.db2.gz FNPRIYDWZDHBGY-MRXNPFEDSA-N -1 1 349.394 2.486 20 0 EEADMM COCCOc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891621538 676732304 /nfs/dbraw/zinc/73/23/04/676732304.db2.gz JAFLVTZFUPUIQV-UHFFFAOYSA-N -1 1 343.383 2.339 20 0 EEADMM CSc1nsc([N-]C(=O)c2nc(C)n(-c3ccccc3)n2)n1 ZINC000084629547 676780640 /nfs/dbraw/zinc/78/06/40/676780640.db2.gz VMLONJREFNQQBD-UHFFFAOYSA-N -1 1 332.414 2.401 20 0 EEADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866858595 677913411 /nfs/dbraw/zinc/91/34/11/677913411.db2.gz CPTNDUAQEPMJDR-UHFFFAOYSA-N -1 1 341.216 2.008 20 0 EEADMM Cc1nc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])oc1C ZINC001024407860 679892025 /nfs/dbraw/zinc/89/20/25/679892025.db2.gz RYRRZULQYUXBHF-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000909542879 685463160 /nfs/dbraw/zinc/46/31/60/685463160.db2.gz AWVRZGYUMWGQNQ-CYBMUJFWSA-N -1 1 329.356 2.077 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000909542879 685463162 /nfs/dbraw/zinc/46/31/62/685463162.db2.gz AWVRZGYUMWGQNQ-CYBMUJFWSA-N -1 1 329.356 2.077 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC000937211593 681683328 /nfs/dbraw/zinc/68/33/28/681683328.db2.gz MPSMCRBANANADR-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000937220397 681725870 /nfs/dbraw/zinc/72/58/70/681725870.db2.gz POHQEZZRYBNDNN-KKUMJFAQSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025202525 682207174 /nfs/dbraw/zinc/20/71/74/682207174.db2.gz YMIUMTYLKMIRQF-KBPBESRZSA-N -1 1 349.479 2.292 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000983474999 682714365 /nfs/dbraw/zinc/71/43/65/682714365.db2.gz IDFCJIZDSONRCK-NWDGAFQWSA-N -1 1 345.424 2.320 20 0 EEADMM CN(C(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)c1nn[n-]n1 ZINC000892954563 683324304 /nfs/dbraw/zinc/32/43/04/683324304.db2.gz LULALOCYUHPQLV-UHFFFAOYSA-N -1 1 325.376 2.095 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2cnn(C)c2Cl)c(=O)[n-]1 ZINC000892957593 683350168 /nfs/dbraw/zinc/35/01/68/683350168.db2.gz MNLZFOUCQNSHEP-UHFFFAOYSA-N -1 1 341.824 2.171 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC000984049140 684019838 /nfs/dbraw/zinc/01/98/38/684019838.db2.gz WNOBYJPOJDGZTC-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000909454960 684057164 /nfs/dbraw/zinc/05/71/64/684057164.db2.gz PGQRGAUYJUUFIN-ZBEGNZNMSA-N -1 1 339.395 2.359 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000984105179 684106855 /nfs/dbraw/zinc/10/68/55/684106855.db2.gz KREAQJGUUUOIQB-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)C1CC2(CC2)C1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984116562 684116807 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CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516544 686287436 /nfs/dbraw/zinc/28/74/36/686287436.db2.gz OWBVERIKPUMBRM-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM C/C(=C/C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000975226649 686319811 /nfs/dbraw/zinc/31/98/11/686319811.db2.gz QRQXCLFYVSJQLO-ZVHGMHCTSA-N -1 1 343.427 2.112 20 0 EEADMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866928972 686852305 /nfs/dbraw/zinc/85/23/05/686852305.db2.gz RZGUSEPWYCZDDW-RYUDHWBXSA-N -1 1 340.536 2.147 20 0 EEADMM C[C@@](CNC(=O)c1[nH]nc2c1CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000909606053 687120110 /nfs/dbraw/zinc/12/01/10/687120110.db2.gz SNKOBWOBSNMEHJ-IBGZPJMESA-N -1 1 341.411 2.451 20 0 EEADMM O=C(NC1CN(C(=O)[C@H](F)CC2CCCCC2)C1)c1ncccc1[O-] ZINC000990970071 694134281 /nfs/dbraw/zinc/13/42/81/694134281.db2.gz UBWLXGNQXDISAA-CQSZACIVSA-N -1 1 349.406 2.036 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1sc(N)nc1[O-] ZINC000079629054 688150699 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BXBVPSSYOAFMBV-UHFFFAOYSA-N -1 1 340.334 2.373 20 0 EEADMM COCc1cc(Oc2cccnc2-c2nnn[n-]2)nc(C(C)(C)C)n1 ZINC001609330898 1351934435 /nfs/dbraw/zinc/93/44/35/1351934435.db2.gz WFKZEQDUVNRQQV-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM COCc1cc(Oc2cccnc2-c2nn[n-]n2)nc(C(C)(C)C)n1 ZINC001609330898 1351934439 /nfs/dbraw/zinc/93/44/39/1351934439.db2.gz WFKZEQDUVNRQQV-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM COc1cc(C)nc(CSCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609340601 1351938741 /nfs/dbraw/zinc/93/87/41/1351938741.db2.gz NBWCYUFUXMMXMJ-UHFFFAOYSA-N -1 1 334.430 2.469 20 0 EEADMM COc1cc(C)nc(CSCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609340601 1351938745 /nfs/dbraw/zinc/93/87/45/1351938745.db2.gz NBWCYUFUXMMXMJ-UHFFFAOYSA-N -1 1 334.430 2.469 20 0 EEADMM COc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc(OC)c1 ZINC001609345654 1351940228 /nfs/dbraw/zinc/94/02/28/1351940228.db2.gz SADNGJBOWNHOFP-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM COc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc(OC)c1 ZINC001609345654 1351940229 /nfs/dbraw/zinc/94/02/29/1351940229.db2.gz SADNGJBOWNHOFP-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM Cc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)no1 ZINC001609408362 1351965249 /nfs/dbraw/zinc/96/52/49/1351965249.db2.gz QCWYZHOJFGORGG-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM Cc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)no1 ZINC001609408362 1351965252 /nfs/dbraw/zinc/96/52/52/1351965252.db2.gz QCWYZHOJFGORGG-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM Cc1ccc(OC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001609427052 1351972008 /nfs/dbraw/zinc/97/20/08/1351972008.db2.gz JBJLZWQJPQGRHG-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc(OC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001609427052 1351972010 /nfs/dbraw/zinc/97/20/10/1351972010.db2.gz JBJLZWQJPQGRHG-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1[nH]nc(NC(=O)c2coc3cc(F)ccc23)c1-c1nn[n-]n1 ZINC001609444406 1351979968 /nfs/dbraw/zinc/97/99/68/1351979968.db2.gz BALJWVMOMQKSFJ-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1nsc(NC(=O)c2cnc(C)nc2C(C)C)c1-c1nnn[n-]1 ZINC001609455214 1351985191 /nfs/dbraw/zinc/98/51/91/1351985191.db2.gz CUTOTVJAFFDXTL-UHFFFAOYSA-N -1 1 344.404 2.106 20 0 EEADMM Cc1nsc(NC(=O)c2cnc(C)nc2C(C)C)c1-c1nn[n-]n1 ZINC001609455214 1351985192 /nfs/dbraw/zinc/98/51/92/1351985192.db2.gz CUTOTVJAFFDXTL-UHFFFAOYSA-N -1 1 344.404 2.106 20 0 EEADMM Cc1nsc(NC(=O)N2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC001609465078 1351988043 /nfs/dbraw/zinc/98/80/43/1351988043.db2.gz HHTLTDUYHKVBBX-UHFFFAOYSA-N -1 1 341.400 2.222 20 0 EEADMM Cc1nsc(NC(=O)N2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC001609465078 1351988045 /nfs/dbraw/zinc/98/80/45/1351988045.db2.gz HHTLTDUYHKVBBX-UHFFFAOYSA-N -1 1 341.400 2.222 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001609491754 1351997731 /nfs/dbraw/zinc/99/77/31/1351997731.db2.gz DIXVJKANCSFILZ-OIBJUYFYSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001609491754 1351997734 /nfs/dbraw/zinc/99/77/34/1351997734.db2.gz DIXVJKANCSFILZ-OIBJUYFYSA-N -1 1 331.742 2.417 20 0 EEADMM O=C(NC[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609546046 1352011492 /nfs/dbraw/zinc/01/14/92/1352011492.db2.gz YFZCXDADYLORCH-ZETCQYMHSA-N -1 1 342.737 2.080 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609566193 1352018610 /nfs/dbraw/zinc/01/86/10/1352018610.db2.gz JIRNLRJIZUGEEP-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609566193 1352018613 /nfs/dbraw/zinc/01/86/13/1352018613.db2.gz JIRNLRJIZUGEEP-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(COC(=O)c1cccc(-c2nnn[n-]2)n1)c1cc2ccccc2o1 ZINC001609573499 1352021609 /nfs/dbraw/zinc/02/16/09/1352021609.db2.gz DETYJKCLRKEFNP-UHFFFAOYSA-N -1 1 349.306 2.048 20 0 EEADMM O=C(COC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc2ccccc2o1 ZINC001609573499 1352021614 /nfs/dbraw/zinc/02/16/14/1352021614.db2.gz DETYJKCLRKEFNP-UHFFFAOYSA-N -1 1 349.306 2.048 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609574061 1352021737 /nfs/dbraw/zinc/02/17/37/1352021737.db2.gz FKNSRAWDLDFUCG-UHFFFAOYSA-N -1 1 348.256 2.132 20 0 EEADMM O=C(OCCCOCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609574061 1352021740 /nfs/dbraw/zinc/02/17/40/1352021740.db2.gz FKNSRAWDLDFUCG-UHFFFAOYSA-N -1 1 348.256 2.132 20 0 EEADMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001334989853 1336322070 /nfs/dbraw/zinc/32/20/70/1336322070.db2.gz CHTPIMVYYJLUFI-VIFPVBQESA-N -1 1 341.260 2.464 20 0 EEADMM C[C@@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001609865649 1352106041 /nfs/dbraw/zinc/10/60/41/1352106041.db2.gz KGXGJQDPHDQXNL-KGLIPLIRSA-N -1 1 341.411 2.448 20 0 EEADMM CCC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001609882929 1352110699 /nfs/dbraw/zinc/11/06/99/1352110699.db2.gz KTPFUIYDWWCUIX-LKFCYVNXSA-N -1 1 328.771 2.205 20 0 EEADMM CCOCCN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1CC ZINC001341053550 1337277756 /nfs/dbraw/zinc/27/77/56/1337277756.db2.gz DAUGSHSTWQPTDZ-UHFFFAOYSA-N -1 1 325.800 2.192 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609942190 1352125233 /nfs/dbraw/zinc/12/52/33/1352125233.db2.gz UUUKATFUPANASZ-ZIAGYGMSSA-N -1 1 349.431 2.244 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC001351675714 1337837514 /nfs/dbraw/zinc/83/75/14/1337837514.db2.gz DDVBEOFDGQOFPI-IACUBPJLSA-N -1 1 327.409 2.238 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001610125582 1352167880 /nfs/dbraw/zinc/16/78/80/1352167880.db2.gz QOLBVEKUWBGWQA-JKSUJKDBSA-N -1 1 330.428 2.220 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc(C)n1 ZINC001200388341 1338296715 /nfs/dbraw/zinc/29/67/15/1338296715.db2.gz NINUCZBENXAUBK-UHFFFAOYSA-N -1 1 326.349 2.347 20 0 EEADMM COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2O)c1 ZINC001610267980 1352196722 /nfs/dbraw/zinc/19/67/22/1352196722.db2.gz IRIATPZUYKQBHU-UHFFFAOYSA-N -1 1 337.353 2.038 20 0 EEADMM Cc1cc(Br)c(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001610432017 1352221547 /nfs/dbraw/zinc/22/15/47/1352221547.db2.gz FCINIXUXFMKRGH-IUCAKERBSA-N -1 1 334.235 2.086 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC001610663702 1352258521 /nfs/dbraw/zinc/25/85/21/1352258521.db2.gz JKKJNCZQDIYZNP-GJZGRUSLSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC001610663703 1352258600 /nfs/dbraw/zinc/25/86/00/1352258600.db2.gz JKKJNCZQDIYZNP-HUUCEWRRSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001610684342 1352260119 /nfs/dbraw/zinc/26/01/19/1352260119.db2.gz XTFIIUODDUAATM-RISCZKNCSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001610684342 1352260121 /nfs/dbraw/zinc/26/01/21/1352260121.db2.gz XTFIIUODDUAATM-RISCZKNCSA-N -1 1 337.807 2.002 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)CCC1CC1)NC(=O)c1ncccc1[O-] ZINC001428363050 1339477140 /nfs/dbraw/zinc/47/71/40/1339477140.db2.gz FAMNBZSHCHHSCT-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001428471500 1339528589 /nfs/dbraw/zinc/52/85/89/1339528589.db2.gz FZVDKGHLGDUYLD-LRVUVFPRSA-N -1 1 345.443 2.381 20 0 EEADMM O=C([O-])CC1(CN2CCN(C(=O)CCCc3ccccc3)CC2)CC1 ZINC001610753213 1352269010 /nfs/dbraw/zinc/26/90/10/1352269010.db2.gz CFBBRVRPNDKVAY-UHFFFAOYSA-N -1 1 344.455 2.408 20 0 EEADMM O=C([O-])CCC1CCN(Cc2cnc(C3OCCO3)s2)CC1 ZINC001610766844 1352271138 /nfs/dbraw/zinc/27/11/38/1352271138.db2.gz JAZNTDRFCYYWDS-UHFFFAOYSA-N -1 1 326.418 2.265 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001611380381 1352299911 /nfs/dbraw/zinc/29/99/11/1352299911.db2.gz SJTAWVRUZMLITC-UHFFFAOYSA-N -1 1 330.325 2.220 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429954293 1340067449 /nfs/dbraw/zinc/06/74/49/1340067449.db2.gz KSFQASPUNWGAKF-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429956243 1340068133 /nfs/dbraw/zinc/06/81/33/1340068133.db2.gz RIGPAQIAANTQTD-UONOGXRCSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc([O-])cn1 ZINC001433640716 1341647331 /nfs/dbraw/zinc/64/73/31/1341647331.db2.gz AKFIOZQKVCQKQF-OAHLLOKOSA-N -1 1 343.408 2.249 20 0 EEADMM CCc1ccc(CCN2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC001434856598 1341969702 /nfs/dbraw/zinc/96/97/02/1341969702.db2.gz FDZBCBOYYZVUFO-UHFFFAOYSA-N -1 1 339.439 2.350 20 0 EEADMM Cn1cnnc1-c1cncc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001556062501 1342421661 /nfs/dbraw/zinc/42/16/61/1342421661.db2.gz MDMYRMPSMSMCHK-UHFFFAOYSA-N -1 1 343.774 2.417 20 0 EEADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)nnn1-c1ccc(OC(C)C)cc1 ZINC001558988496 1342494614 /nfs/dbraw/zinc/49/46/14/1342494614.db2.gz SVRVVRNSGCFBBZ-UHFFFAOYSA-N -1 1 342.359 2.044 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001574232301 1343670997 /nfs/dbraw/zinc/67/09/97/1343670997.db2.gz HDNOCIWVQDAQTG-VXGBXAGGSA-N -1 1 326.404 2.223 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001574232301 1343671002 /nfs/dbraw/zinc/67/10/02/1343671002.db2.gz HDNOCIWVQDAQTG-VXGBXAGGSA-N -1 1 326.404 2.223 20 0 EEADMM CC(C)CSCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001574232890 1343671310 /nfs/dbraw/zinc/67/13/10/1343671310.db2.gz PZBPQWWGCUIOHY-UHFFFAOYSA-N -1 1 340.840 2.034 20 0 EEADMM C[C@H](O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1F ZINC001575482750 1343806646 /nfs/dbraw/zinc/80/66/46/1343806646.db2.gz UJQBJDNZDUEHGH-ZETCQYMHSA-N -1 1 333.348 2.373 20 0 EEADMM C[C@H](O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1F ZINC001575482750 1343806649 /nfs/dbraw/zinc/80/66/49/1343806649.db2.gz UJQBJDNZDUEHGH-ZETCQYMHSA-N -1 1 333.348 2.373 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203105 1344104399 /nfs/dbraw/zinc/10/43/99/1344104399.db2.gz OUXAWHDPDDCRRL-BQBZGAKWSA-N -1 1 343.844 2.082 20 0 EEADMM CN(CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccn1 ZINC001579128049 1344340665 /nfs/dbraw/zinc/34/06/65/1344340665.db2.gz JMRMKDHSUNUDTC-UHFFFAOYSA-N -1 1 344.810 2.249 20 0 EEADMM CN(CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccn1 ZINC001579128049 1344340674 /nfs/dbraw/zinc/34/06/74/1344340674.db2.gz JMRMKDHSUNUDTC-UHFFFAOYSA-N -1 1 344.810 2.249 20 0 EEADMM COc1cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)ccc1C ZINC001579927772 1344433144 /nfs/dbraw/zinc/43/31/44/1344433144.db2.gz LXSKOUDPPXCHBD-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC001580049265 1344459334 /nfs/dbraw/zinc/45/93/34/1344459334.db2.gz IAFMXRKHZKMEAK-NSHDSACASA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC001580049265 1344459335 /nfs/dbraw/zinc/45/93/35/1344459335.db2.gz IAFMXRKHZKMEAK-NSHDSACASA-N -1 1 338.371 2.070 20 0 EEADMM Cc1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581612009 1344643977 /nfs/dbraw/zinc/64/39/77/1344643977.db2.gz GNVSAFHJXOFQQN-LLVKDONJSA-N -1 1 342.407 2.034 20 0 EEADMM Cc1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581612009 1344643978 /nfs/dbraw/zinc/64/39/78/1344643978.db2.gz GNVSAFHJXOFQQN-LLVKDONJSA-N -1 1 342.407 2.034 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(Cl)ccc21 ZINC001582137677 1344705550 /nfs/dbraw/zinc/70/55/50/1344705550.db2.gz HEDGDCLKLYYDAX-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(Cl)ccc21 ZINC001582137677 1344705554 /nfs/dbraw/zinc/70/55/54/1344705554.db2.gz HEDGDCLKLYYDAX-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001582338178 1344736237 /nfs/dbraw/zinc/73/62/37/1344736237.db2.gz YNFYIBWQTCNGCF-GFCCVEGCSA-N -1 1 345.815 2.479 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1coc(-c2nnn[n-]2)c1 ZINC001582639517 1344775080 /nfs/dbraw/zinc/77/50/80/1344775080.db2.gz UCELQVCYZGVGOQ-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1coc(-c2nn[n-]n2)c1 ZINC001582639517 1344775081 /nfs/dbraw/zinc/77/50/81/1344775081.db2.gz UCELQVCYZGVGOQ-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001582818141 1344797856 /nfs/dbraw/zinc/79/78/56/1344797856.db2.gz DLWMFYAAJIMAIN-ZDUSSCGKSA-N -1 1 334.343 2.041 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001582818141 1344797861 /nfs/dbraw/zinc/79/78/61/1344797861.db2.gz DLWMFYAAJIMAIN-ZDUSSCGKSA-N -1 1 334.343 2.041 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2cnc(SC)[n-]c2=O)C[C@@H]1OC ZINC001362347110 1373396126 /nfs/dbraw/zinc/39/61/26/1373396126.db2.gz KFBYDCXNZJUFTM-QWRGUYRKSA-N -1 1 325.434 2.228 20 0 EEADMM CC(=O)Nc1ccc(CCNc2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001588875906 1348940407 /nfs/dbraw/zinc/94/04/07/1348940407.db2.gz DMWAXWGZRUPCQY-UHFFFAOYSA-N -1 1 337.387 2.183 20 0 EEADMM CC(=O)Nc1ccc(CCNc2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001588875906 1348940412 /nfs/dbraw/zinc/94/04/12/1348940412.db2.gz DMWAXWGZRUPCQY-UHFFFAOYSA-N -1 1 337.387 2.183 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001589198141 1348968684 /nfs/dbraw/zinc/96/86/84/1348968684.db2.gz PQCUAWFAVMYLLY-MGCOHNPYSA-N -1 1 333.367 2.082 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001589198141 1348968687 /nfs/dbraw/zinc/96/86/87/1348968687.db2.gz PQCUAWFAVMYLLY-MGCOHNPYSA-N -1 1 333.367 2.082 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC001589207489 1348970570 /nfs/dbraw/zinc/97/05/70/1348970570.db2.gz CGNKVXAKPATBEW-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC001589207489 1348970572 /nfs/dbraw/zinc/97/05/72/1348970572.db2.gz CGNKVXAKPATBEW-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001589208343 1348971123 /nfs/dbraw/zinc/97/11/23/1348971123.db2.gz WMSNVQVKZCSQKN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001589208343 1348971127 /nfs/dbraw/zinc/97/11/27/1348971127.db2.gz WMSNVQVKZCSQKN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)nn1 ZINC001589226976 1348972606 /nfs/dbraw/zinc/97/26/06/1348972606.db2.gz ICLWDLKYKXWIKK-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001589267218 1348976983 /nfs/dbraw/zinc/97/69/83/1348976983.db2.gz LFVZYXKUJWUJGK-UHFFFAOYSA-N -1 1 326.404 2.367 20 0 EEADMM CC(C)(CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001589267218 1348976989 /nfs/dbraw/zinc/97/69/89/1348976989.db2.gz LFVZYXKUJWUJGK-UHFFFAOYSA-N -1 1 326.404 2.367 20 0 EEADMM CC(C)(F)CCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589312673 1348981749 /nfs/dbraw/zinc/98/17/49/1348981749.db2.gz MYEAAOSIWGIFCW-UHFFFAOYSA-N -1 1 333.780 2.236 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001589361551 1348987544 /nfs/dbraw/zinc/98/75/44/1348987544.db2.gz BECKHQVRTCXSCK-LLVKDONJSA-N -1 1 347.448 2.001 20 0 EEADMM CC(C)[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001589418645 1348989641 /nfs/dbraw/zinc/98/96/41/1348989641.db2.gz WOIOWAXIEYACSK-GFCCVEGCSA-N -1 1 329.339 2.107 20 0 EEADMM CC(C)[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589418645 1348989644 /nfs/dbraw/zinc/98/96/44/1348989644.db2.gz WOIOWAXIEYACSK-GFCCVEGCSA-N -1 1 329.339 2.107 20 0 EEADMM CC(C)Cc1nnc(NC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001589665298 1349018187 /nfs/dbraw/zinc/01/81/87/1349018187.db2.gz ZZRRUJBGGDZPDY-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)Cc1nnc(NC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001589665298 1349018194 /nfs/dbraw/zinc/01/81/94/1349018194.db2.gz ZZRRUJBGGDZPDY-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)O[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589736243 1349024938 /nfs/dbraw/zinc/02/49/38/1349024938.db2.gz UFDCUWNLEZOXGO-OAHLLOKOSA-N -1 1 338.371 2.367 20 0 EEADMM CC(C)O[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589736243 1349024940 /nfs/dbraw/zinc/02/49/40/1349024940.db2.gz UFDCUWNLEZOXGO-OAHLLOKOSA-N -1 1 338.371 2.367 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccco1 ZINC001589794174 1349044729 /nfs/dbraw/zinc/04/47/29/1349044729.db2.gz JOYQTWGFRMTSGS-QMMMGPOBSA-N -1 1 327.348 2.193 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(F)cncc1F ZINC001589946003 1349072217 /nfs/dbraw/zinc/07/22/17/1349072217.db2.gz GNRLAXDVVSDVBC-ZETCQYMHSA-N -1 1 348.288 2.170 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(F)cncc1F ZINC001589946003 1349072221 /nfs/dbraw/zinc/07/22/21/1349072221.db2.gz GNRLAXDVVSDVBC-ZETCQYMHSA-N -1 1 348.288 2.170 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H](O)c1ccccc1 ZINC001589980074 1349091059 /nfs/dbraw/zinc/09/10/59/1349091059.db2.gz HGTYMMGENVSZMX-BONVTDFDSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H](O)c1ccccc1 ZINC001589980074 1349091065 /nfs/dbraw/zinc/09/10/65/1349091065.db2.gz HGTYMMGENVSZMX-BONVTDFDSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)NCc1cccs1 ZINC001590032580 1349119536 /nfs/dbraw/zinc/11/95/36/1349119536.db2.gz AQDRZDNJUBUKAO-VIFPVBQESA-N -1 1 349.441 2.459 20 0 EEADMM C[C@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)NCc1cccs1 ZINC001590032580 1349119539 /nfs/dbraw/zinc/11/95/39/1349119539.db2.gz AQDRZDNJUBUKAO-VIFPVBQESA-N -1 1 349.441 2.459 20 0 EEADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590075793 1349139510 /nfs/dbraw/zinc/13/95/10/1349139510.db2.gz JAKWPGBSSNBDCV-VIFPVBQESA-N -1 1 329.282 2.263 20 0 EEADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590075793 1349139522 /nfs/dbraw/zinc/13/95/22/1349139522.db2.gz JAKWPGBSSNBDCV-VIFPVBQESA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590225391 1349210941 /nfs/dbraw/zinc/21/09/41/1349210941.db2.gz DJYTWFGVFMEOPS-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590225391 1349210947 /nfs/dbraw/zinc/21/09/47/1349210947.db2.gz DJYTWFGVFMEOPS-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2ccc(F)cc2O1 ZINC001590299034 1349251686 /nfs/dbraw/zinc/25/16/86/1349251686.db2.gz SVMODGACPVQRGX-MRVPVSSYSA-N -1 1 329.291 2.027 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590339618 1349274455 /nfs/dbraw/zinc/27/44/55/1349274455.db2.gz XBKZZVAFQBJZDS-SNVBAGLBSA-N -1 1 340.412 2.012 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590339618 1349274461 /nfs/dbraw/zinc/27/44/61/1349274461.db2.gz XBKZZVAFQBJZDS-SNVBAGLBSA-N -1 1 340.412 2.012 20 0 EEADMM CC/C(C)=C(\C)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001590384740 1349295725 /nfs/dbraw/zinc/29/57/25/1349295725.db2.gz JTUFKOZQEYEZMV-ZHACJKMWSA-N -1 1 338.375 2.132 20 0 EEADMM CC[C@H](C)CCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590408875 1349311586 /nfs/dbraw/zinc/31/15/86/1349311586.db2.gz YJFPKBPYKGEKPT-JTQLQIEISA-N -1 1 330.392 2.099 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC001590422823 1349317522 /nfs/dbraw/zinc/31/75/22/1349317522.db2.gz KRWDEKXGCHJHQT-GFCCVEGCSA-N -1 1 339.403 2.431 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC001590422823 1349317528 /nfs/dbraw/zinc/31/75/28/1349317528.db2.gz KRWDEKXGCHJHQT-GFCCVEGCSA-N -1 1 339.403 2.431 20 0 EEADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590511654 1349361641 /nfs/dbraw/zinc/36/16/41/1349361641.db2.gz OFGWNLUQWAWOGU-XHDPSFHLSA-N -1 1 345.403 2.496 20 0 EEADMM CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001590558052 1349370640 /nfs/dbraw/zinc/37/06/40/1349370640.db2.gz JMCUPGABIKUOOD-GFCCVEGCSA-N -1 1 332.408 2.181 20 0 EEADMM CCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001590558052 1349370646 /nfs/dbraw/zinc/37/06/46/1349370646.db2.gz JMCUPGABIKUOOD-GFCCVEGCSA-N -1 1 332.408 2.181 20 0 EEADMM CCN(C[C@H]1CCOC1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590691281 1349390754 /nfs/dbraw/zinc/39/07/54/1349390754.db2.gz TZJZUIKOAVJZRM-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CCN(C[C@H]1CCOC1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590691281 1349390759 /nfs/dbraw/zinc/39/07/59/1349390759.db2.gz TZJZUIKOAVJZRM-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850647 1349405908 /nfs/dbraw/zinc/40/59/08/1349405908.db2.gz MBPIEBDFBAGSAY-ZYHUDNBSSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590850647 1349405910 /nfs/dbraw/zinc/40/59/10/1349405910.db2.gz MBPIEBDFBAGSAY-ZYHUDNBSSA-N -1 1 347.448 2.448 20 0 EEADMM CCc1nc(SCC(=O)OC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001590925444 1349413978 /nfs/dbraw/zinc/41/39/78/1349413978.db2.gz LMRPGUSJBDVMBN-UHFFFAOYSA-N -1 1 348.432 2.187 20 0 EEADMM CCc1nc(SCC(=O)OC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001590925444 1349413983 /nfs/dbraw/zinc/41/39/83/1349413983.db2.gz LMRPGUSJBDVMBN-UHFFFAOYSA-N -1 1 348.432 2.187 20 0 EEADMM CO[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001591351608 1349467986 /nfs/dbraw/zinc/46/79/86/1349467986.db2.gz OTAPVUIAEFFDJJ-IUCAKERBSA-N -1 1 328.298 2.260 20 0 EEADMM CO[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001591351608 1349467994 /nfs/dbraw/zinc/46/79/94/1349467994.db2.gz OTAPVUIAEFFDJJ-IUCAKERBSA-N -1 1 328.298 2.260 20 0 EEADMM Cc1ccc(-c2nnc(Sc3ncncc3-c3nnn[n-]3)o2)cc1 ZINC001592074492 1349588787 /nfs/dbraw/zinc/58/87/87/1349588787.db2.gz NTNZHGCRACADCH-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccc(-c2nnc(Sc3ncncc3-c3nn[n-]n3)o2)cc1 ZINC001592074492 1349588788 /nfs/dbraw/zinc/58/87/88/1349588788.db2.gz NTNZHGCRACADCH-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592074849 1349589022 /nfs/dbraw/zinc/58/90/22/1349589022.db2.gz YBILRUXWQNRWBE-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Cc1ccc(S(C)(=O)=O)cc1NCc1csc(-c2nn[n-]n2)c1 ZINC001592196731 1349603859 /nfs/dbraw/zinc/60/38/59/1349603859.db2.gz KKHPKKZHTQOZLU-UHFFFAOYSA-N -1 1 349.441 2.252 20 0 EEADMM Cc1ccc2oc(C(=O)Cn3ccc(C)c(-c4nn[n-]n4)c3=O)cc2c1 ZINC001592212381 1349610754 /nfs/dbraw/zinc/61/07/54/1349610754.db2.gz MATUWXDBQIMWDA-UHFFFAOYSA-N -1 1 349.350 2.274 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC001592226788 1349612482 /nfs/dbraw/zinc/61/24/82/1349612482.db2.gz IYSMHWKBSNFRLZ-CQSZACIVSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC001592226788 1349612483 /nfs/dbraw/zinc/61/24/83/1349612483.db2.gz IYSMHWKBSNFRLZ-CQSZACIVSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1ncc(CN(C)c2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001592409842 1349628586 /nfs/dbraw/zinc/62/85/86/1349628586.db2.gz KIBBAQXEODWLNQ-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592455300 1349633839 /nfs/dbraw/zinc/63/38/39/1349633839.db2.gz HJAKHXXMFJMLMS-UHFFFAOYSA-N -1 1 342.363 2.139 20 0 EEADMM Cc1nsc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001592479902 1349635754 /nfs/dbraw/zinc/63/57/54/1349635754.db2.gz RRGUQHJLPUWGCS-WPRPVWTQSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592479902 1349635759 /nfs/dbraw/zinc/63/57/59/1349635759.db2.gz RRGUQHJLPUWGCS-WPRPVWTQSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC[C@@H]2COC3(CCCCC3)O2)c1-c1nn[n-]n1 ZINC001592489537 1349636084 /nfs/dbraw/zinc/63/60/84/1349636084.db2.gz YWXUPQNZLKMANH-SNVBAGLBSA-N -1 1 336.421 2.119 20 0 EEADMM Cc1nsc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001592488581 1349636472 /nfs/dbraw/zinc/63/64/72/1349636472.db2.gz JGOSGKJIBDHHRZ-NKWVEPMBSA-N -1 1 334.327 2.153 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@]1(C)C[C@H]1F ZINC001592505662 1349642549 /nfs/dbraw/zinc/64/25/49/1349642549.db2.gz BXHIRGYYUHPVOL-HWPZZCPQSA-N -1 1 345.334 2.464 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@]1(C)C[C@H]1F ZINC001592505662 1349642551 /nfs/dbraw/zinc/64/25/51/1349642551.db2.gz BXHIRGYYUHPVOL-HWPZZCPQSA-N -1 1 345.334 2.464 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(C)C ZINC001592504554 1349642584 /nfs/dbraw/zinc/64/25/84/1349642584.db2.gz LIQCIBIHCSDIMV-UHFFFAOYSA-N -1 1 328.376 2.335 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(C)C ZINC001592504554 1349642586 /nfs/dbraw/zinc/64/25/86/1349642586.db2.gz LIQCIBIHCSDIMV-UHFFFAOYSA-N -1 1 328.376 2.335 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NOCC1CCC1 ZINC001592507031 1349642745 /nfs/dbraw/zinc/64/27/45/1349642745.db2.gz VGLUXDGBMFQHRN-UHFFFAOYSA-N -1 1 342.359 2.020 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NOCC1CCC1 ZINC001592507031 1349642749 /nfs/dbraw/zinc/64/27/49/1349642749.db2.gz VGLUXDGBMFQHRN-UHFFFAOYSA-N -1 1 342.359 2.020 20 0 EEADMM Clc1cccc2c1OCCN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001592535566 1349650307 /nfs/dbraw/zinc/65/03/07/1349650307.db2.gz GSRLOJWWFCHHOK-UHFFFAOYSA-N -1 1 334.792 2.376 20 0 EEADMM Clc1cccc2c1OCCN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001592535566 1349650308 /nfs/dbraw/zinc/65/03/08/1349650308.db2.gz GSRLOJWWFCHHOK-UHFFFAOYSA-N -1 1 334.792 2.376 20 0 EEADMM Clc1sc(N2CCC[C@@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592541579 1349653682 /nfs/dbraw/zinc/65/36/82/1349653682.db2.gz FJDKDCFVXLJAAX-SFYZADRCSA-N -1 1 326.813 2.124 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@H]2CCCOCC2)c1 ZINC001592622455 1349676221 /nfs/dbraw/zinc/67/62/21/1349676221.db2.gz IYJZZWWMISWIEJ-VIFPVBQESA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@H]2CCCOCC2)c1 ZINC001592622455 1349676224 /nfs/dbraw/zinc/67/62/24/1349676224.db2.gz IYJZZWWMISWIEJ-VIFPVBQESA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001592622117 1349676931 /nfs/dbraw/zinc/67/69/31/1349676931.db2.gz PHPGJHWQUNSGIO-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001592625576 1349677717 /nfs/dbraw/zinc/67/77/17/1349677717.db2.gz XNKXVYPGRKBSFJ-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001592625576 1349677721 /nfs/dbraw/zinc/67/77/21/1349677721.db2.gz XNKXVYPGRKBSFJ-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM Fc1cccc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1F ZINC001592654724 1349700354 /nfs/dbraw/zinc/70/03/54/1349700354.db2.gz LMVSAXZCFJTDFL-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM Fc1cccc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1F ZINC001592654724 1349700358 /nfs/dbraw/zinc/70/03/58/1349700358.db2.gz LMVSAXZCFJTDFL-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM O=C(NCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593137050 1349739875 /nfs/dbraw/zinc/73/98/75/1349739875.db2.gz NQJJMOXAMIMFLI-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(NCc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593137050 1349739876 /nfs/dbraw/zinc/73/98/76/1349739876.db2.gz NQJJMOXAMIMFLI-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc2ccccc21 ZINC001593146025 1349742598 /nfs/dbraw/zinc/74/25/98/1349742598.db2.gz FWPCRCZQQWRIEM-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2ccccc21 ZINC001593146025 1349742602 /nfs/dbraw/zinc/74/26/02/1349742602.db2.gz FWPCRCZQQWRIEM-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593180828 1349744179 /nfs/dbraw/zinc/74/41/79/1349744179.db2.gz QVLJVSMTBWFMLY-SMDDNHRTSA-N -1 1 341.321 2.431 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593180828 1349744180 /nfs/dbraw/zinc/74/41/80/1349744180.db2.gz QVLJVSMTBWFMLY-SMDDNHRTSA-N -1 1 341.321 2.431 20 0 EEADMM O=C(Nc1cccc2ocnc21)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593250695 1349750569 /nfs/dbraw/zinc/75/05/69/1349750569.db2.gz KCQVBKUUUZQIIG-UHFFFAOYSA-N -1 1 341.718 2.309 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CCC2(CC2(F)F)CC1 ZINC001593256095 1349751423 /nfs/dbraw/zinc/75/14/23/1349751423.db2.gz MGFBKYMUGZSSDQ-UHFFFAOYSA-N -1 1 349.345 2.351 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CCC2(CC2(F)F)CC1 ZINC001593256095 1349751427 /nfs/dbraw/zinc/75/14/27/1349751427.db2.gz MGFBKYMUGZSSDQ-UHFFFAOYSA-N -1 1 349.345 2.351 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccoc1Cl ZINC001593264316 1349755246 /nfs/dbraw/zinc/75/52/46/1349755246.db2.gz PTEYPDLCYKXNIH-UHFFFAOYSA-N -1 1 331.144 2.475 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccoc1Cl ZINC001593264316 1349755249 /nfs/dbraw/zinc/75/52/49/1349755249.db2.gz PTEYPDLCYKXNIH-UHFFFAOYSA-N -1 1 331.144 2.475 20 0 EEADMM O=C(Nc1nnc(-c2ccsc2)s1)c1coc(-c2nn[n-]n2)c1 ZINC001593270193 1349757621 /nfs/dbraw/zinc/75/76/21/1349757621.db2.gz URHCPWKKNJOMIM-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC001593275710 1349757884 /nfs/dbraw/zinc/75/78/84/1349757884.db2.gz HIZFAWHGMOTCEY-CQSZACIVSA-N -1 1 345.309 2.060 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC001593275707 1349758392 /nfs/dbraw/zinc/75/83/92/1349758392.db2.gz HIZFAWHGMOTCEY-AWEZNQCLSA-N -1 1 345.309 2.060 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1CCC(F)(F)CC1 ZINC001593306636 1349775418 /nfs/dbraw/zinc/77/54/18/1349775418.db2.gz CFODKTJHEKGDNK-UHFFFAOYSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1CCC(F)(F)CC1 ZINC001593306636 1349775420 /nfs/dbraw/zinc/77/54/20/1349775420.db2.gz CFODKTJHEKGDNK-UHFFFAOYSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](OC2CCC2)CC1 ZINC001593340261 1349784226 /nfs/dbraw/zinc/78/42/26/1349784226.db2.gz IBWRRDLJQGFSJO-LBPRGKRZSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H](OC2CCC2)CC1 ZINC001593340261 1349784233 /nfs/dbraw/zinc/78/42/33/1349784233.db2.gz IBWRRDLJQGFSJO-LBPRGKRZSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(F)(c2ccccc2F)C1 ZINC001593371179 1349792730 /nfs/dbraw/zinc/79/27/30/1349792730.db2.gz MHQOUEPCRLGEPK-UHFFFAOYSA-N -1 1 347.350 2.388 20 0 EEADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001593445459 1349801672 /nfs/dbraw/zinc/80/16/72/1349801672.db2.gz PBFGKOCYEOCIAX-UHFFFAOYSA-N -1 1 335.776 2.321 20 0 EEADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)n(C2CCC2)n1 ZINC001593554281 1349845740 /nfs/dbraw/zinc/84/57/40/1349845740.db2.gz NJYGPJVDVPQKJH-UHFFFAOYSA-N -1 1 325.380 2.001 20 0 EEADMM c1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)n(C2CCC2)n1 ZINC001593554281 1349845743 /nfs/dbraw/zinc/84/57/43/1349845743.db2.gz NJYGPJVDVPQKJH-UHFFFAOYSA-N -1 1 325.380 2.001 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001593572301 1349856928 /nfs/dbraw/zinc/85/69/28/1349856928.db2.gz XVADSMAYKXDELT-GFCCVEGCSA-N -1 1 334.343 2.041 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001593572301 1349856933 /nfs/dbraw/zinc/85/69/33/1349856933.db2.gz XVADSMAYKXDELT-GFCCVEGCSA-N -1 1 334.343 2.041 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001600132392 1349976716 /nfs/dbraw/zinc/97/67/16/1349976716.db2.gz AIKVUECPQYFOTR-UHFFFAOYSA-N -1 1 331.303 2.274 20 0 EEADMM Cc1cc(C(F)(F)F)ccc1CN1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001600142032 1349979037 /nfs/dbraw/zinc/97/90/37/1349979037.db2.gz CYBANZZDAJXFSS-ZDUSSCGKSA-N -1 1 344.333 2.179 20 0 EEADMM Cc1cc(C)n(-c2ccc(CNCc3ccc(C(=O)[O-])n3C)cn2)n1 ZINC001600178249 1349986535 /nfs/dbraw/zinc/98/65/35/1349986535.db2.gz ZSNIYYNMOKGKIX-UHFFFAOYSA-N -1 1 339.399 2.211 20 0 EEADMM Cc1cc(C2CCN(CC(=O)Nc3ccccc3C(=O)[O-])CC2)[nH]n1 ZINC001600184472 1349987639 /nfs/dbraw/zinc/98/76/39/1349987639.db2.gz MVWYERUWDVFYIF-UHFFFAOYSA-N -1 1 342.399 2.234 20 0 EEADMM Cc1cc(NC(=O)c2cccc3c2OCCNC3)ccc1C(=O)[O-] ZINC001600276319 1350009047 /nfs/dbraw/zinc/00/90/47/1350009047.db2.gz NKBYELJMCWWPEK-UHFFFAOYSA-N -1 1 326.352 2.428 20 0 EEADMM Cc1cc(NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)ccc1N1CCN(C)CC1 ZINC001600281619 1350009899 /nfs/dbraw/zinc/00/98/99/1350009899.db2.gz WUTQAQUCXUWMGJ-UKRRQHHQSA-N -1 1 339.386 2.125 20 0 EEADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600286038 1350011176 /nfs/dbraw/zinc/01/11/76/1350011176.db2.gz FLFGQFPWEKUEAH-TUKIKUTGSA-N -1 1 343.383 2.057 20 0 EEADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600286038 1350011181 /nfs/dbraw/zinc/01/11/81/1350011181.db2.gz FLFGQFPWEKUEAH-TUKIKUTGSA-N -1 1 343.383 2.057 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])nn3C)[nH]n2)cc1C ZINC001600312858 1350017682 /nfs/dbraw/zinc/01/76/82/1350017682.db2.gz MKCJAEISELGSEJ-UHFFFAOYSA-N -1 1 339.355 2.378 20 0 EEADMM Cc1ccc([C@H](NCCn2cc(C(=O)[O-])nn2)c2ccccn2)cc1 ZINC001600385850 1350036943 /nfs/dbraw/zinc/03/69/43/1350036943.db2.gz RXIWCHCUYUFOFI-KRWDZBQOSA-N -1 1 337.383 2.059 20 0 EEADMM Cc1ccc(CNCc2c[nH]c(C(=O)[O-])c2)c(O[C@@H]2CCOC2)c1 ZINC001600419284 1350046984 /nfs/dbraw/zinc/04/69/84/1350046984.db2.gz SWWNWMMHJAOGRL-OAHLLOKOSA-N -1 1 330.384 2.479 20 0 EEADMM Cc1ccc2nc(CNC(=O)NCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC001600489164 1350063948 /nfs/dbraw/zinc/06/39/48/1350063948.db2.gz IVXUYDAKXFNLPX-UHFFFAOYSA-N -1 1 328.328 2.162 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)NCC3(C(=O)[O-])CCCC3)c(=O)c2c1 ZINC001600503336 1350068359 /nfs/dbraw/zinc/06/83/59/1350068359.db2.gz DRNQBJHNYLMFDB-UHFFFAOYSA-N -1 1 328.368 2.211 20 0 EEADMM Cc1ccc2ncc(CN3CCC(O)(C4(C(=O)[O-])CCC4)CC3)n2c1 ZINC001600503543 1350068407 /nfs/dbraw/zinc/06/84/07/1350068407.db2.gz NLFKDPUXFCIXFH-UHFFFAOYSA-N -1 1 343.427 2.225 20 0 EEADMM Cc1cccc2c(CC(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c[nH]c21 ZINC001600551847 1350080708 /nfs/dbraw/zinc/08/07/08/1350080708.db2.gz AIKLKSUYMAUQKZ-CQSZACIVSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccccc1OCCC[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600586919 1350090868 /nfs/dbraw/zinc/09/08/68/1350090868.db2.gz NJLCBYODELTCSK-XAUUPUKJSA-N -1 1 347.411 2.261 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3C[C@H](O)C34CCC4)c12 ZINC001600714810 1350119864 /nfs/dbraw/zinc/11/98/64/1350119864.db2.gz QCLKPNTYIYJBQT-UWVGGRQHSA-N -1 1 333.413 2.144 20 0 EEADMM Cc1nn(C)c(Cl)c1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001600772352 1350132788 /nfs/dbraw/zinc/13/27/88/1350132788.db2.gz RCCRNURCHIVCQD-AWEZNQCLSA-N -1 1 335.791 2.232 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H]2CCC3(COC3)O2)nc1C(=O)[O-] ZINC001600882018 1350159060 /nfs/dbraw/zinc/15/90/60/1350159060.db2.gz HUKJFRQMSHETOP-VXGBXAGGSA-N -1 1 338.429 2.235 20 0 EEADMM Cc1sc(NC(=O)CN(C)CCCCCO)c(C(=O)[O-])c1C ZINC001600885349 1350160278 /nfs/dbraw/zinc/16/02/78/1350160278.db2.gz CTKKYZSJHOMDKX-UHFFFAOYSA-N -1 1 328.434 2.096 20 0 EEADMM Cn1c(CNCc2cccnc2OCC(F)F)ccc1C(=O)[O-] ZINC001600916370 1350168060 /nfs/dbraw/zinc/16/80/60/1350168060.db2.gz QSVFIRHTSHEYBL-UHFFFAOYSA-N -1 1 325.315 2.052 20 0 EEADMM N=C(NOCc1ccc(C(=O)[O-])cc1F)[C@H]1COc2ccccc2O1 ZINC001601136367 1350218845 /nfs/dbraw/zinc/21/88/45/1350218845.db2.gz DYPCMZCGMNZPNP-OAHLLOKOSA-N -1 1 346.314 2.362 20 0 EEADMM NC(=O)CCN(Cc1ccc(C(=O)[O-])o1)[C@H]1CCOc2ccccc21 ZINC001601149411 1350221164 /nfs/dbraw/zinc/22/11/64/1350221164.db2.gz QHPFCEYBYZMAMJ-AWEZNQCLSA-N -1 1 344.367 2.179 20 0 EEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC001601306642 1350253681 /nfs/dbraw/zinc/25/36/81/1350253681.db2.gz WXOBXNXVFRESHW-FRRDWIJNSA-N -1 1 337.807 2.249 20 0 EEADMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)Nc1ccccc1-c1ccccc1 ZINC001601329491 1350258660 /nfs/dbraw/zinc/25/86/60/1350258660.db2.gz XNQOQELUKPJHCK-FUHWJXTLSA-N -1 1 340.379 2.124 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3cnn4ccccc34)[nH]c21 ZINC001601373548 1350269236 /nfs/dbraw/zinc/26/92/36/1350269236.db2.gz CNGVMHWINHSDIF-UHFFFAOYSA-N -1 1 335.323 2.090 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1cccc(F)c1O)c1ccc2c(c1)CCO2 ZINC001601397585 1350274100 /nfs/dbraw/zinc/27/41/00/1350274100.db2.gz DZLKRTMNFIXFNR-AWEZNQCLSA-N -1 1 331.299 2.022 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1[nH]ncc1F)c1cccc(C(F)(F)F)c1 ZINC001601398537 1350274460 /nfs/dbraw/zinc/27/44/60/1350274460.db2.gz XPHSQGBXCYYLEZ-SECBINFHSA-N -1 1 331.225 2.123 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cc4n(n3)CCCC4)[nH]c21 ZINC001601632451 1350324164 /nfs/dbraw/zinc/32/41/64/1350324164.db2.gz JPXWAAKEXNKWDM-UHFFFAOYSA-N -1 1 325.328 2.046 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1nc3ccccc3s1)C[C@@H]2C(=O)[O-] ZINC001601783687 1350363870 /nfs/dbraw/zinc/36/38/70/1350363870.db2.gz YKVWUYXSXOJUNO-VVHFOWEKSA-N -1 1 346.408 2.294 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(CNC/C(Cl)=C/Cl)CCCC1 ZINC001601782819 1350363944 /nfs/dbraw/zinc/36/39/44/1350363944.db2.gz YYCSEGDZMKEGJE-GOLMWGNGSA-N -1 1 335.231 2.045 20 0 EEADMM O=C([O-])CCNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001602021982 1350420646 /nfs/dbraw/zinc/42/06/46/1350420646.db2.gz OCNULMYHQQIIIU-SFHVURJKSA-N -1 1 338.407 2.225 20 0 EEADMM O=C([O-])CN(CCC(F)(F)F)Cc1ccc(-n2ccnc2)nc1 ZINC001602053396 1350427716 /nfs/dbraw/zinc/42/77/16/1350427716.db2.gz ILDPYELMSNVHKW-UHFFFAOYSA-N -1 1 328.294 2.106 20 0 EEADMM O=C([O-])Cc1ccc(CNC(=O)c2ccc(CN3CCCC3)o2)cc1 ZINC001602120232 1350443682 /nfs/dbraw/zinc/44/36/82/1350443682.db2.gz ZVLGINPCXRSXKR-UHFFFAOYSA-N -1 1 342.395 2.433 20 0 EEADMM O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCCc4n[nH]nc43)ccc12 ZINC001602236466 1350473286 /nfs/dbraw/zinc/47/32/86/1350473286.db2.gz BYCUVEDYISGTCR-JTQLQIEISA-N -1 1 325.328 2.043 20 0 EEADMM O=C([O-])c1cc(C2CCN(C(=O)c3cccc4c[nH]nc43)CC2)no1 ZINC001602249732 1350476634 /nfs/dbraw/zinc/47/66/34/1350476634.db2.gz IPEISZKYFOHQFU-UHFFFAOYSA-N -1 1 340.339 2.269 20 0 EEADMM O=C([O-])c1cc(CN[C@H](CO)c2cccc(F)c2)n2c1CCCC2 ZINC001602260202 1350480516 /nfs/dbraw/zinc/48/05/16/1350480516.db2.gz ODLQYHTWQCEAML-MRXNPFEDSA-N -1 1 332.375 2.485 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN3CCN4CCOC[C@H]4C3)o2)cc1 ZINC001602309934 1350490181 /nfs/dbraw/zinc/49/01/81/1350490181.db2.gz ZBMZRERDBLOSOE-MRXNPFEDSA-N -1 1 342.395 2.161 20 0 EEADMM O=C([O-])c1ccc(CN2CCc3n[nH]nc3C2)c(C(F)(F)F)c1 ZINC001602339698 1350497951 /nfs/dbraw/zinc/49/79/51/1350497951.db2.gz UYOIIRIAZDYIBC-UHFFFAOYSA-N -1 1 326.278 2.080 20 0 EEADMM O=C([O-])c1ccc(CS(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC001602356603 1350503231 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/nfs/dbraw/zinc/09/02/86/1351090286.db2.gz VPWCYMKHPDMULR-UHFFFAOYSA-N -1 1 337.343 2.332 20 0 EEADMM COc1c2ccccc2oc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605155936 1351090287 /nfs/dbraw/zinc/09/02/87/1351090287.db2.gz VPWCYMKHPDMULR-UHFFFAOYSA-N -1 1 337.343 2.332 20 0 EEADMM COc1ncc(NC(=O)[C@H]2CCCCC2(C)C)cc1-c1nn[n-]n1 ZINC001605348977 1351142996 /nfs/dbraw/zinc/14/29/96/1351142996.db2.gz TYJMORRCDHBRAZ-GFCCVEGCSA-N -1 1 330.392 2.425 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)O[C@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001605380032 1351148916 /nfs/dbraw/zinc/14/89/16/1351148916.db2.gz AGQNOWUHYWTSJE-BDAKNGLRSA-N -1 1 349.416 2.425 20 0 EEADMM CCN(C#N)CCN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001605391186 1351152510 /nfs/dbraw/zinc/15/25/10/1351152510.db2.gz KJIVEIQXRPVFBW-GFCCVEGCSA-N -1 1 331.294 2.103 20 0 EEADMM CCN1CCN(c2ccccc2NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001605482746 1351169170 /nfs/dbraw/zinc/16/91/70/1351169170.db2.gz CYOLTMNJMJOIQB-UHFFFAOYSA-N -1 1 343.383 2.372 20 0 EEADMM CCOC(CN1CCC(c2ncc(C(=O)[O-])s2)CC1)OCC ZINC001605592318 1351196979 /nfs/dbraw/zinc/19/69/79/1351196979.db2.gz FXIUQYUDHDJBPW-UHFFFAOYSA-N -1 1 328.434 2.420 20 0 EEADMM Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001605683270 1351215187 /nfs/dbraw/zinc/21/51/87/1351215187.db2.gz ZMBZAFBKAOAOLO-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001605683270 1351215190 /nfs/dbraw/zinc/21/51/90/1351215190.db2.gz ZMBZAFBKAOAOLO-AWEZNQCLSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1[nH]nc(NCc2ccc(C)cc2-c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001605856824 1351238849 /nfs/dbraw/zinc/23/88/49/1351238849.db2.gz YTVQIKMYGSPXDT-UHFFFAOYSA-N -1 1 349.402 2.219 20 0 EEADMM Cc1ccc(NCC[C@H](NC2CC2)C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001605874858 1351243266 /nfs/dbraw/zinc/24/32/66/1351243266.db2.gz SJZJAQIBHUSPLO-NSHDSACASA-N -1 1 341.341 2.055 20 0 EEADMM Cc1ccc(NCC[C@H](NC2CC2)C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001605874858 1351243269 /nfs/dbraw/zinc/24/32/69/1351243269.db2.gz SJZJAQIBHUSPLO-NSHDSACASA-N -1 1 341.341 2.055 20 0 EEADMM Cc1ccc(OCCCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001605877348 1351244806 /nfs/dbraw/zinc/24/48/06/1351244806.db2.gz ZEPBKMQHGJPMQA-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1ccc(OCCCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001605877348 1351244808 /nfs/dbraw/zinc/24/48/08/1351244808.db2.gz ZEPBKMQHGJPMQA-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCc2ccccn2)c1-c1nnn[n-]1 ZINC001606139791 1351277956 /nfs/dbraw/zinc/27/79/56/1351277956.db2.gz VNSRPDIDOVUNQO-UHFFFAOYSA-N -1 1 343.416 2.012 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCc2ccccn2)c1-c1nn[n-]n1 ZINC001606139791 1351277958 /nfs/dbraw/zinc/27/79/58/1351277958.db2.gz VNSRPDIDOVUNQO-UHFFFAOYSA-N -1 1 343.416 2.012 20 0 EEADMM Clc1cc(Cl)cc(CCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001606189214 1351283968 /nfs/dbraw/zinc/28/39/68/1351283968.db2.gz UUGMZIZMWGABIS-UHFFFAOYSA-N -1 1 336.186 2.040 20 0 EEADMM CNC(=O)CC[C@H]1CCCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001606267880 1351288148 /nfs/dbraw/zinc/28/81/48/1351288148.db2.gz QUXZGNGUDWVXMS-GHMZBOCLSA-N -1 1 325.434 2.283 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)c1ccc(F)cc1 ZINC001606617532 1351332372 /nfs/dbraw/zinc/33/23/72/1351332372.db2.gz SEENOLVUWLDVOX-UHFFFAOYSA-N -1 1 349.325 2.204 20 0 EEADMM O=C(N[C@H](c1cccnc1)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606639058 1351335884 /nfs/dbraw/zinc/33/58/84/1351335884.db2.gz VUEZVPKOCOEURJ-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC(C(F)(F)F)CC1 ZINC001606940597 1351380543 /nfs/dbraw/zinc/38/05/43/1351380543.db2.gz DFTPSFHUKDNJRI-UHFFFAOYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC(C(F)(F)F)CC1 ZINC001606940597 1351380545 /nfs/dbraw/zinc/38/05/45/1351380545.db2.gz DFTPSFHUKDNJRI-UHFFFAOYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606950231 1351382889 /nfs/dbraw/zinc/38/28/89/1351382889.db2.gz AXWRPUGGZUXNRS-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606950231 1351382893 /nfs/dbraw/zinc/38/28/93/1351382893.db2.gz AXWRPUGGZUXNRS-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nccc(-c2ccccc2)n1)c1coc(-c2nnn[n-]2)c1 ZINC001606953561 1351383542 /nfs/dbraw/zinc/38/35/42/1351383542.db2.gz UCOXKIGUORISPT-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1nccc(-c2ccccc2)n1)c1coc(-c2nn[n-]n2)c1 ZINC001606953561 1351383544 /nfs/dbraw/zinc/38/35/44/1351383544.db2.gz UCOXKIGUORISPT-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@]12CCO[C@@H]1CCCC2 ZINC001606978976 1351391019 /nfs/dbraw/zinc/39/10/19/1351391019.db2.gz KSDFJVJUWQVSTO-IUODEOHRSA-N -1 1 334.401 2.321 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC[C@H]1CCCC1(F)F)CCC2 ZINC001607088782 1351412973 /nfs/dbraw/zinc/41/29/73/1351412973.db2.gz AXGVOGHFLLMMHP-LLVKDONJSA-N -1 1 335.358 2.343 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607110531 1351422321 /nfs/dbraw/zinc/42/23/21/1351422321.db2.gz DTDXWDAXAYKERB-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607110531 1351422326 /nfs/dbraw/zinc/42/23/26/1351422326.db2.gz DTDXWDAXAYKERB-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM c1cn(Cc2ccccc2)c(Sc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001607130452 1351432141 /nfs/dbraw/zinc/43/21/41/1351432141.db2.gz VUFGLHLRPOTLSZ-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM c1cn(Cc2ccccc2)c(Sc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001607130452 1351432144 /nfs/dbraw/zinc/43/21/44/1351432144.db2.gz VUFGLHLRPOTLSZ-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM c1ccc2oc(C3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)nc2c1 ZINC001607131450 1351432829 /nfs/dbraw/zinc/43/28/29/1351432829.db2.gz BZMHNNUJNUTBIM-UHFFFAOYSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc(C3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)nc2c1 ZINC001607131450 1351432830 /nfs/dbraw/zinc/43/28/30/1351432830.db2.gz BZMHNNUJNUTBIM-UHFFFAOYSA-N -1 1 348.370 2.182 20 0 EEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCN2C(C)(C)C)cc1 ZINC001607223293 1351452380 /nfs/dbraw/zinc/45/23/80/1351452380.db2.gz YVAPNBDKLZZYIG-LSDHHAIUSA-N -1 1 334.416 2.200 20 0 EEADMM COc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccnc(F)c3)CC2)c1 ZINC001607313483 1351471560 /nfs/dbraw/zinc/47/15/60/1351471560.db2.gz WXZNAFKJVKCBAC-KRWDZBQOSA-N -1 1 345.374 2.177 20 0 EEADMM COc1cccc(C[C@@H](N)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001607317826 1351472435 /nfs/dbraw/zinc/47/24/35/1351472435.db2.gz AURUYVPICADTAK-MRXNPFEDSA-N -1 1 328.368 2.210 20 0 EEADMM COc1nc(NCc2nc(-c3ccc(F)cc3)n[nH]2)ccc1C(=O)[O-] ZINC001607357185 1351481444 /nfs/dbraw/zinc/48/14/44/1351481444.db2.gz PCPGYFHMTVOMOE-UHFFFAOYSA-N -1 1 343.318 2.325 20 0 EEADMM COc1nc(NCc2n[nH]c(-c3ccc(F)cc3)n2)ccc1C(=O)[O-] ZINC001607357185 1351481445 /nfs/dbraw/zinc/48/14/45/1351481445.db2.gz PCPGYFHMTVOMOE-UHFFFAOYSA-N -1 1 343.318 2.325 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1CCCS(=O)(=O)c1ccccc1 ZINC001607445310 1351495106 /nfs/dbraw/zinc/49/51/06/1351495106.db2.gz IQRULPPEAVURPI-ZIAGYGMSSA-N -1 1 325.430 2.036 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)c(C)c1C(=O)[O-] ZINC001607485918 1351501810 /nfs/dbraw/zinc/50/18/10/1351501810.db2.gz MJYLKTKYPLSASQ-KGLIPLIRSA-N -1 1 334.416 2.261 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N[C@@H]2Cc3cccc(O)c3C2)c(C)c1C(=O)[O-] ZINC001607484819 1351502041 /nfs/dbraw/zinc/50/20/41/1351502041.db2.gz BHISHVWECGPLNZ-WCQYABFASA-N -1 1 342.395 2.364 20 0 EEADMM Cc1cc(Br)c(CN[C@](C)(CO)C(=O)[O-])cc1Cl ZINC001607562863 1351516162 /nfs/dbraw/zinc/51/61/62/1351516162.db2.gz VBCJLKFDGUJXQF-GFCCVEGCSA-N -1 1 336.613 2.336 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1Cc2ccccc2CN1 ZINC001607701292 1351542544 /nfs/dbraw/zinc/54/25/44/1351542544.db2.gz XJNQGPSISAVCEX-KRWDZBQOSA-N -1 1 340.379 2.111 20 0 EEADMM Cc1ccc(-n2cc(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)nn2)cc1 ZINC001607719874 1351545982 /nfs/dbraw/zinc/54/59/82/1351545982.db2.gz KCIPXZFWPFLMKS-MRXNPFEDSA-N -1 1 326.400 2.262 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001607744030 1351550551 /nfs/dbraw/zinc/55/05/51/1351550551.db2.gz WALCOJMAKPKTLK-OKILXGFUSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1ccc(C2CC2)c(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)c1 ZINC001607770527 1351554991 /nfs/dbraw/zinc/55/49/91/1351554991.db2.gz OQJURSZDXVGROF-CQSZACIVSA-N -1 1 330.428 2.493 20 0 EEADMM Cc1ccc(C2CC2)c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001607770527 1351554994 /nfs/dbraw/zinc/55/49/94/1351554994.db2.gz OQJURSZDXVGROF-CQSZACIVSA-N -1 1 330.428 2.493 20 0 EEADMM Cc1ccc(CSc2n[nH]c(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])n2)cc1 ZINC001607786277 1351558530 /nfs/dbraw/zinc/55/85/30/1351558530.db2.gz YDAVVCKPPMHSKG-NWDGAFQWSA-N -1 1 346.412 2.455 20 0 EEADMM Cc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC001607811650 1351564202 /nfs/dbraw/zinc/56/42/02/1351564202.db2.gz QQYHIHRTHHGRCO-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1cccc(-c2noc(CN3CCSC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001607836954 1351568812 /nfs/dbraw/zinc/56/88/12/1351568812.db2.gz PSJBAFKTTAEXHZ-ZDUSSCGKSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1cccc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1Cl ZINC001607847665 1351570750 /nfs/dbraw/zinc/57/07/50/1351570750.db2.gz YYQFIJHBEKTWOX-ZDUSSCGKSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC001607855989 1351572975 /nfs/dbraw/zinc/57/29/75/1351572975.db2.gz SKIQZUQCVXQYFC-ZDUSSCGKSA-N -1 1 342.399 2.267 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@@H]1CCCOC1 ZINC001607925932 1351587019 /nfs/dbraw/zinc/58/70/19/1351587019.db2.gz SRUHEMBENZDMDA-RYUDHWBXSA-N -1 1 340.445 2.440 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001608327381 1351671288 /nfs/dbraw/zinc/67/12/88/1351671288.db2.gz GTLZDHSBIQGCOF-OAHLLOKOSA-N -1 1 348.365 2.259 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(-n4cccc4)c3)nc2n1 ZINC001623439431 1352397391 /nfs/dbraw/zinc/39/73/91/1352397391.db2.gz VDKFZKFFWWFYGY-UHFFFAOYSA-N -1 1 348.366 2.023 20 0 EEADMM CCn1nnnc1-c1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001628275460 1352528611 /nfs/dbraw/zinc/52/86/11/1352528611.db2.gz UDJIFMPSCLPZAT-UHFFFAOYSA-N -1 1 327.319 2.457 20 0 EEADMM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc([O-])cc1O ZINC000061389061 1352780413 /nfs/dbraw/zinc/78/04/13/1352780413.db2.gz UMOHCIAXUIIZGR-UHFFFAOYSA-N -1 1 335.243 2.185 20 0 EEADMM CCCCn1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c(C)n1 ZINC001645685759 1352796104 /nfs/dbraw/zinc/79/61/04/1352796104.db2.gz VYYVMALQHNWAMF-UHFFFAOYSA-N -1 1 332.356 2.443 20 0 EEADMM COCCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H](C(C)C)CC1 ZINC001650418994 1353908743 /nfs/dbraw/zinc/90/87/43/1353908743.db2.gz NHHIUSMRNNCORI-CYBMUJFWSA-N -1 1 348.451 2.283 20 0 EEADMM O=C(c1cc(Oc2ccccc2)ccn1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650858286 1354031671 /nfs/dbraw/zinc/03/16/71/1354031671.db2.gz PLYJMXVTCBDEGL-GFCCVEGCSA-N -1 1 336.355 2.017 20 0 EEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001664301937 1355134663 /nfs/dbraw/zinc/13/46/63/1355134663.db2.gz GRHHCTRJOSXXEP-LURQLKTLSA-N -1 1 349.225 2.306 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001388739449 1387688552 /nfs/dbraw/zinc/68/85/52/1387688552.db2.gz NDIGDWNQPCRWMS-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM O=S(=O)(CCCF)[N-]c1ccccc1-c1nc(CO)cs1 ZINC001189921230 1368384047 /nfs/dbraw/zinc/38/40/47/1368384047.db2.gz JMNGAUFPVRUUSB-UHFFFAOYSA-N -1 1 330.406 2.404 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2c([O-])cc(OC)cc2OC)c[nH]1 ZINC001190109934 1368394703 /nfs/dbraw/zinc/39/47/03/1368394703.db2.gz CWBJZXHUILGSMV-UHFFFAOYSA-N -1 1 334.328 2.167 20 0 EEADMM CCOC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(F)cc1[O-] ZINC001193228438 1368453006 /nfs/dbraw/zinc/45/30/06/1368453006.db2.gz YCJCXJMSRIUSNB-LLVKDONJSA-N -1 1 330.381 2.338 20 0 EEADMM COC(=O)c1ccc(N(C(=O)c2nc(C)ccc2[O-])C2CC2)c(N)c1 ZINC001195331222 1368520142 /nfs/dbraw/zinc/52/01/42/1368520142.db2.gz VILSUIUDOWODGR-UHFFFAOYSA-N -1 1 341.367 2.274 20 0 EEADMM CCOC(=O)c1c[nH]c(NC(=O)c2nc(-c3ccccc3)c[nH]2)n1 ZINC001195335042 1368521661 /nfs/dbraw/zinc/52/16/61/1368521661.db2.gz BSJBAVRGHLNTCE-UHFFFAOYSA-N -1 1 325.328 2.229 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nc(-c3ccccc3)c[nH]2)n1 ZINC001195335042 1368521665 /nfs/dbraw/zinc/52/16/65/1368521665.db2.gz BSJBAVRGHLNTCE-UHFFFAOYSA-N -1 1 325.328 2.229 20 0 EEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO[C@@H]1C1CC1 ZINC000867117462 1368521778 /nfs/dbraw/zinc/52/17/78/1368521778.db2.gz FCTRUUDBKXERFS-OCCSQVGLSA-N -1 1 348.827 2.358 20 0 EEADMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867330463 1368698270 /nfs/dbraw/zinc/69/82/70/1368698270.db2.gz ZTFJRRKISBPLEW-QMMMGPOBSA-N -1 1 327.233 2.075 20 0 EEADMM Cc1ccoc1CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852353690 1369264094 /nfs/dbraw/zinc/26/40/94/1369264094.db2.gz MTGKXEQDGRNWNO-KOLCDFICSA-N -1 1 347.337 2.187 20 0 EEADMM COC[C@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000149959179 1370282810 /nfs/dbraw/zinc/28/28/10/1370282810.db2.gz RSHMIXHTSNJLEZ-GFCCVEGCSA-N -1 1 334.445 2.315 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)CC1(C)CC1 ZINC001389455165 1388132808 /nfs/dbraw/zinc/13/28/08/1388132808.db2.gz VCGGTMBHTXYEIW-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM Cc1cc(C)nc(NC[C@@H](C2CC2)N(C)C(=O)c2ncccc2[O-])n1 ZINC001115507612 1371649869 /nfs/dbraw/zinc/64/98/69/1371649869.db2.gz FSNSYFICZDYCCO-AWEZNQCLSA-N -1 1 341.415 2.157 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cnc(Cl)cc1C(F)(F)F)c1nn[n-]n1 ZINC001123786193 1372185455 /nfs/dbraw/zinc/18/54/55/1372185455.db2.gz OWVOLISKEKLAMW-LURJTMIESA-N -1 1 348.716 2.143 20 0 EEADMM CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)n1 ZINC000829743937 1372292705 /nfs/dbraw/zinc/29/27/05/1372292705.db2.gz FMGFTMWHHSTFQE-GFCCVEGCSA-N -1 1 341.415 2.125 20 0 EEADMM O=C(CCc1ccc(Cl)cc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831158540 1372368804 /nfs/dbraw/zinc/36/88/04/1372368804.db2.gz MBUWVPQVHSKARY-UHFFFAOYSA-N -1 1 348.752 2.410 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCC2(CCCCC2)O1)c1c[nH]nc1Cl ZINC000831249460 1372370758 /nfs/dbraw/zinc/37/07/58/1372370758.db2.gz SIEZAAWLKIEEGX-SNVBAGLBSA-N -1 1 333.841 2.223 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c([O-])cccc1Cl ZINC000834623745 1372558339 /nfs/dbraw/zinc/55/83/39/1372558339.db2.gz VJGUUTUGOYNVRC-FGWVZKOKSA-N -1 1 343.832 2.131 20 0 EEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3N)cc2)o1 ZINC001203098486 1372764476 /nfs/dbraw/zinc/76/44/76/1372764476.db2.gz JITMDRLETNIHNX-UHFFFAOYSA-N -1 1 330.369 2.428 20 0 EEADMM C[C@H](OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)C(=O)N(C)C ZINC000838087515 1372821628 /nfs/dbraw/zinc/82/16/28/1372821628.db2.gz RUZJUUHKKQDLFI-LBPRGKRZSA-N -1 1 344.367 2.005 20 0 EEADMM CC(=O)Nc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccc1F ZINC001361868669 1373349246 /nfs/dbraw/zinc/34/92/46/1373349246.db2.gz COABDYZMNOULSY-UHFFFAOYSA-N -1 1 344.346 2.411 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1[O-] ZINC001362952698 1373472431 /nfs/dbraw/zinc/47/24/31/1373472431.db2.gz DKPKUWIQKQPAMZ-UHFFFAOYSA-N -1 1 344.371 2.057 20 0 EEADMM Cn1ncc(Br)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC001363134540 1373485777 /nfs/dbraw/zinc/48/57/77/1373485777.db2.gz BOIOVUZOKLMRMH-UHFFFAOYSA-N -1 1 346.131 2.096 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c1[O-] ZINC001363192570 1373490263 /nfs/dbraw/zinc/49/02/63/1373490263.db2.gz UEIGYCLTKGLXAA-UHFFFAOYSA-N -1 1 330.344 2.033 20 0 EEADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[n-][nH]c1=O ZINC001364099324 1373589537 /nfs/dbraw/zinc/58/95/37/1373589537.db2.gz YLVGGHNCZCUDLI-SNVBAGLBSA-N -1 1 326.397 2.383 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001364850266 1373620988 /nfs/dbraw/zinc/62/09/88/1373620988.db2.gz JRELZTFBXYFBFF-UONOGXRCSA-N -1 1 335.429 2.427 20 0 EEADMM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1cc(Cl)ccc1F ZINC001364886460 1373623928 /nfs/dbraw/zinc/62/39/28/1373623928.db2.gz IMOUOOPQHKFNLK-UHFFFAOYSA-N -1 1 341.698 2.278 20 0 EEADMM COC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC001365067135 1373662419 /nfs/dbraw/zinc/66/24/19/1373662419.db2.gz FBFWACIFCVMFIW-YPMHNXCESA-N -1 1 344.371 2.041 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NC(C1CC1)C1CC1 ZINC001367594503 1374215277 /nfs/dbraw/zinc/21/52/77/1374215277.db2.gz LARCLCHAFSKJNC-CABZTGNLSA-N -1 1 347.381 2.416 20 0 EEADMM CC(C)(C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1)C1CC1 ZINC001374372936 1376744029 /nfs/dbraw/zinc/74/40/29/1376744029.db2.gz QZWFIAMHICUPMH-AWEZNQCLSA-N -1 1 349.479 2.101 20 0 EEADMM COc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001375032343 1377300290 /nfs/dbraw/zinc/30/02/90/1377300290.db2.gz LNTYMYSRZIICCE-LBPRGKRZSA-N -1 1 347.390 2.185 20 0 EEADMM CC[C@H](C)CC(=O)N1CCC(CCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001378929268 1380295906 /nfs/dbraw/zinc/29/59/06/1380295906.db2.gz ZFDBEAMGTSNAMM-ZDUSSCGKSA-N -1 1 337.468 2.007 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379848648 1380916040 /nfs/dbraw/zinc/91/60/40/1380916040.db2.gz VKZJEKJPMXVZGY-FZKQIMNGSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379848644 1380916444 /nfs/dbraw/zinc/91/64/44/1380916444.db2.gz VKZJEKJPMXVZGY-ACJLOTCBSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CCCCCC1 ZINC001380052596 1381027787 /nfs/dbraw/zinc/02/77/87/1381027787.db2.gz CXBPYRNXMZBTLR-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ncc(C(C)(C)C)o1 ZINC001381503820 1381629291 /nfs/dbraw/zinc/62/92/91/1381629291.db2.gz HRXJTXJCXWZDQC-GFCCVEGCSA-N -1 1 346.431 2.323 20 0 EEADMM CC(C)CC(=O)N(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001383173897 1382376466 /nfs/dbraw/zinc/37/64/66/1382376466.db2.gz DVBCBEUJJQGWNA-CQSZACIVSA-N -1 1 335.448 2.436 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001384150353 1382823481 /nfs/dbraw/zinc/82/34/81/1382823481.db2.gz UDFSRXNHMGYRMO-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384163400 1382835508 /nfs/dbraw/zinc/83/55/08/1382835508.db2.gz PYSOMWUTJPCVAX-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC1CCC1 ZINC001384525048 1384443337 /nfs/dbraw/zinc/44/33/37/1384443337.db2.gz OBOOKDBUGQZJCP-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001384609996 1385098970 /nfs/dbraw/zinc/09/89/70/1385098970.db2.gz ILBMBZUNRKIEFG-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386369964 1386090772 /nfs/dbraw/zinc/09/07/72/1386090772.db2.gz DBEFQXYNRPBZPU-CQSZACIVSA-N -1 1 347.459 2.438 20 0 EEADMM CCC(CC)[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387230023 1386582141 /nfs/dbraw/zinc/58/21/41/1386582141.db2.gz YWDVZOOMWJSHAO-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM CCC[C@@H](CC)C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001387525720 1386800642 /nfs/dbraw/zinc/80/06/42/1386800642.db2.gz YTDIRTHZSWRQIL-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NCc1ncc(Cl)s1 ZINC001394463030 1390705993 /nfs/dbraw/zinc/70/59/93/1390705993.db2.gz CJPYYZVVVOZPQH-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM C[C@H](CNC(=O)C1CCCCCC1)N(C)C(=O)c1ncccc1[O-] ZINC001395058375 1390779695 /nfs/dbraw/zinc/77/96/95/1390779695.db2.gz IJWRQAFKESGHKW-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC001395169795 1390798091 /nfs/dbraw/zinc/79/80/91/1390798091.db2.gz OMJOXKLQCPYFQO-CYBMUJFWSA-N -1 1 341.411 2.240 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001395605682 1390844179 /nfs/dbraw/zinc/84/41/79/1390844179.db2.gz XEUHJXWBRTWXAY-GFCCVEGCSA-N -1 1 345.374 2.147 20 0 EEADMM C[C@H]1[C@H](NC(=O)CCC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001395853540 1390865747 /nfs/dbraw/zinc/86/57/47/1390865747.db2.gz VYLZUKUKORYYIW-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@H]1[C@@H](NC(=O)CCC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001395853550 1390865815 /nfs/dbraw/zinc/86/58/15/1390865815.db2.gz VYLZUKUKORYYIW-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001398750081 1394174266 /nfs/dbraw/zinc/17/42/66/1394174266.db2.gz PYSYPFNEPSGIGV-ZDUSSCGKSA-N -1 1 333.432 2.048 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C)cc1F ZINC001398948934 1394354990 /nfs/dbraw/zinc/35/49/90/1394354990.db2.gz VCEWOHGQIHDLOZ-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2ncccc2[O-])cc1 ZINC001398950945 1394361547 /nfs/dbraw/zinc/36/15/47/1394361547.db2.gz XLRWEMDNPIRRJB-HNNXBMFYSA-N -1 1 341.411 2.288 20 0 EEADMM CC(C)C[C@H](CNC(=O)C1CC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001399464883 1395124640 /nfs/dbraw/zinc/12/46/40/1395124640.db2.gz FIYOPQUJSSJVDN-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)C[C@@H](CN[C@@H](C)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001401272356 1397107211 /nfs/dbraw/zinc/10/72/11/1397107211.db2.gz DRGKSUGAXXSMFG-RYUDHWBXSA-N -1 1 349.460 2.134 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CCC1CCCC1 ZINC001424108608 1400916161 /nfs/dbraw/zinc/91/61/61/1400916161.db2.gz UTBQMEQXRKCZLD-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1scc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001425063909 1401425141 /nfs/dbraw/zinc/42/51/41/1401425141.db2.gz BDCLRDLEWPECFC-JTQLQIEISA-N -1 1 347.440 2.356 20 0 EEADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001425556408 1401615140 /nfs/dbraw/zinc/61/51/40/1401615140.db2.gz HRCWDEAGVWVKPF-TZMCWYRMSA-N -1 1 345.443 2.333 20 0 EEADMM CCOC(=O)C[C@@H](C)CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001426037277 1401862773 /nfs/dbraw/zinc/86/27/73/1401862773.db2.gz DTZBZVMSPFXVAT-GFCCVEGCSA-N -1 1 346.387 2.289 20 0 EEADMM C[C@H](C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-])C1CCC1 ZINC001426523428 1402081015 /nfs/dbraw/zinc/08/10/15/1402081015.db2.gz OGCMFZKQWYPXNN-ZDUSSCGKSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@@H]1CCC1(C)C ZINC001427468192 1402432643 /nfs/dbraw/zinc/43/26/43/1402432643.db2.gz ANKPZTGMZUMBJY-GARJFASQSA-N -1 1 335.370 2.416 20 0 EEADMM CN(C(=O)CCC1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428948377 1402850497 /nfs/dbraw/zinc/85/04/97/1402850497.db2.gz NQGSABPVVMYHLI-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC001428952254 1402852222 /nfs/dbraw/zinc/85/22/22/1402852222.db2.gz YZDKWFGEICIPMX-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1cccc(-c2nn[nH]n2)c1 ZINC001575338364 1403545924 /nfs/dbraw/zinc/54/59/24/1403545924.db2.gz QFJVTCOLEQUEPE-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM CCC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001576483914 1403578545 /nfs/dbraw/zinc/57/85/45/1403578545.db2.gz CDHYJQQXISSQNH-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CCC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001576483914 1403578550 /nfs/dbraw/zinc/57/85/50/1403578550.db2.gz CDHYJQQXISSQNH-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576617750 1403592259 /nfs/dbraw/zinc/59/22/59/1403592259.db2.gz QWKHAYPYXAMCBD-GWCFXTLKSA-N -1 1 344.419 2.317 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577257714 1403630569 /nfs/dbraw/zinc/63/05/69/1403630569.db2.gz FOIYHBLWOZJRMH-ONGXEEELSA-N -1 1 349.464 2.081 20 0 EEADMM CCCCC(=O)N[C@@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577409215 1403647476 /nfs/dbraw/zinc/64/74/76/1403647476.db2.gz XQICKEBHNYYUHA-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CCCOC(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001577687000 1403668854 /nfs/dbraw/zinc/66/88/54/1403668854.db2.gz PGPYDQHGWRBPNP-UHFFFAOYSA-N -1 1 341.327 2.279 20 0 EEADMM CCCOC(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001577687000 1403668864 /nfs/dbraw/zinc/66/88/64/1403668864.db2.gz PGPYDQHGWRBPNP-UHFFFAOYSA-N -1 1 341.327 2.279 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001578423164 1403752290 /nfs/dbraw/zinc/75/22/90/1403752290.db2.gz KWZGCYXTMWSBPZ-GFCCVEGCSA-N -1 1 344.354 2.012 20 0 EEADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001578423164 1403752296 /nfs/dbraw/zinc/75/22/96/1403752296.db2.gz KWZGCYXTMWSBPZ-GFCCVEGCSA-N -1 1 344.354 2.012 20 0 EEADMM COc1ncc(NC(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC001580140212 1403833711 /nfs/dbraw/zinc/83/37/11/1403833711.db2.gz WMKDYPBMSDAXFS-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM CS(C)(=O)=Nc1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001580174106 1403841221 /nfs/dbraw/zinc/84/12/21/1403841221.db2.gz BIVQHIBNAVEMHV-UHFFFAOYSA-N -1 1 346.372 2.071 20 0 EEADMM CS(C)(=O)=Nc1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001580174106 1403841224 /nfs/dbraw/zinc/84/12/24/1403841224.db2.gz BIVQHIBNAVEMHV-UHFFFAOYSA-N -1 1 346.372 2.071 20 0 EEADMM COC(=O)c1ccc(Oc2cccc(Cl)c2)c(-c2nn[n-]n2)n1 ZINC001591297865 1403904587 /nfs/dbraw/zinc/90/45/87/1403904587.db2.gz AUTVODGHPXVGCL-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@H]2CCOC2)n1 ZINC001591941296 1403973898 /nfs/dbraw/zinc/97/38/98/1403973898.db2.gz YZCOPGSYHNMKJC-ZETCQYMHSA-N -1 1 331.323 2.470 20 0 EEADMM Cc1nc(NCCCOCCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592390527 1404026118 /nfs/dbraw/zinc/02/61/18/1404026118.db2.gz PDUIVDRBCYJWTI-UHFFFAOYSA-N -1 1 339.403 2.026 20 0 EEADMM Cc1nc(NCCCOCCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592390527 1404026135 /nfs/dbraw/zinc/02/61/35/1404026135.db2.gz PDUIVDRBCYJWTI-UHFFFAOYSA-N -1 1 339.403 2.026 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001592500730 1404704654 /nfs/dbraw/zinc/70/46/54/1404704654.db2.gz ZKNSNWTYZYKZIW-UHFFFAOYSA-N -1 1 347.281 2.086 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2c(F)cc(F)cc21 ZINC001592500730 1404704658 /nfs/dbraw/zinc/70/46/58/1404704658.db2.gz ZKNSNWTYZYKZIW-UHFFFAOYSA-N -1 1 347.281 2.086 20 0 EEADMM Fc1ccccc1OCc1noc(-c2coc(-c3nnn[n-]3)c2)n1 ZINC001592661914 1404705694 /nfs/dbraw/zinc/70/56/94/1404705694.db2.gz SEUOZEFWQUTROE-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1ccccc1OCc1noc(-c2coc(-c3nn[n-]n3)c2)n1 ZINC001592661914 1404705699 /nfs/dbraw/zinc/70/56/99/1404705699.db2.gz SEUOZEFWQUTROE-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM O=C(NC[C@H]1CCCCS1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593032883 1404737351 /nfs/dbraw/zinc/73/73/51/1404737351.db2.gz CBMRFRHEMBIONP-SNVBAGLBSA-N -1 1 342.428 2.364 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC001606020256 1404756835 /nfs/dbraw/zinc/75/68/35/1404756835.db2.gz VPGRZUCCVMEDCM-SNVBAGLBSA-N -1 1 343.341 2.237 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC001606020256 1404756842 /nfs/dbraw/zinc/75/68/42/1404756842.db2.gz VPGRZUCCVMEDCM-SNVBAGLBSA-N -1 1 343.341 2.237 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)COc1ccc(F)cc1 ZINC001606166338 1404771512 /nfs/dbraw/zinc/77/15/12/1404771512.db2.gz BGPNNLGTFCULRX-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)COc1ccc(F)cc1 ZINC001606166338 1404771515 /nfs/dbraw/zinc/77/15/15/1404771515.db2.gz BGPNNLGTFCULRX-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cn1cnc2cc(NC(=O)c3cccc(F)c3-c3nnn[n-]3)ccc21 ZINC001606262636 1404778041 /nfs/dbraw/zinc/77/80/41/1404778041.db2.gz LZIGWNZVJFUDQS-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Cn1cnc2cc(NC(=O)c3cccc(F)c3-c3nn[n-]n3)ccc21 ZINC001606262636 1404778046 /nfs/dbraw/zinc/77/80/46/1404778046.db2.gz LZIGWNZVJFUDQS-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3cccc(F)c3-c3nnn[n-]3)cc21 ZINC001606262662 1404778171 /nfs/dbraw/zinc/77/81/71/1404778171.db2.gz NXXFNLVDGSKRPT-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3cccc(F)c3-c3nn[n-]n3)cc21 ZINC001606262662 1404778180 /nfs/dbraw/zinc/77/81/80/1404778180.db2.gz NXXFNLVDGSKRPT-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Fc1cccc([C@@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCO2)c1 ZINC001606327403 1404794172 /nfs/dbraw/zinc/79/41/72/1404794172.db2.gz OCEDVKVODOOCQL-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM Fc1cccc([C@@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCO2)c1 ZINC001606327403 1404794178 /nfs/dbraw/zinc/79/41/78/1404794178.db2.gz OCEDVKVODOOCQL-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM CCn1ncnc1CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001646232602 1404883787 /nfs/dbraw/zinc/88/37/87/1404883787.db2.gz HVUXACYFTPDPKU-GFCCVEGCSA-N -1 1 343.214 2.390 20 0 EEADMM C/C(=C\C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)C1CC1 ZINC001756173375 1408198108 /nfs/dbraw/zinc/19/81/08/1408198108.db2.gz KBBGUMCMNQFNMH-SAAWKEMMSA-N -1 1 343.427 2.110 20 0 EEADMM O=C(Cc1ccc(F)cc1F)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000445966956 1409870296 /nfs/dbraw/zinc/87/02/96/1409870296.db2.gz VVQFDWAVXHACJK-UHFFFAOYSA-N -1 1 345.309 2.238 20 0 EEADMM CSc1nc(CNC(=O)c2ccnc(OC3CCC3)c2)cc(=O)[n-]1 ZINC001771866386 1409968938 /nfs/dbraw/zinc/96/89/38/1409968938.db2.gz VCUGTVGTFCYLCR-UHFFFAOYSA-N -1 1 346.412 2.160 20 0 EEADMM CN(C(=O)CSCc1ccc(Cl)cc1Cl)c1nn[n-]n1 ZINC001771896613 1409974031 /nfs/dbraw/zinc/97/40/31/1409974031.db2.gz OPXLJYJABTXYLY-UHFFFAOYSA-N -1 1 332.216 2.403 20 0 EEADMM C[C@@H]1[C@@H](C)[C@H](C)CN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001772172652 1410075896 /nfs/dbraw/zinc/07/58/96/1410075896.db2.gz HGPXIQZOKDKCEX-OUAUKWLOSA-N -1 1 328.420 2.336 20 0 EEADMM Cc1cc(CN2CCC([C@H](C)NC(=O)c3ncccc3[O-])CC2)no1 ZINC000997561668 790291342 /nfs/dbraw/zinc/29/13/42/790291342.db2.gz ZPYHLGQMSKPCJC-ZDUSSCGKSA-N -1 1 344.415 2.114 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c1Cl ZINC000693325819 759515972 /nfs/dbraw/zinc/51/59/72/759515972.db2.gz QLTUSUUKDVVFOX-UHFFFAOYSA-N -1 1 327.784 2.177 20 0 EEADMM CC(C)=CC(=O)NCC[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001075499956 761470156 /nfs/dbraw/zinc/47/01/56/761470156.db2.gz JWNVUSIOMLYTNM-LBPRGKRZSA-N -1 1 348.447 2.205 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1C/C=C/Cl ZINC001087351931 761790621 /nfs/dbraw/zinc/79/06/21/761790621.db2.gz BHOJHHIOWOWMLX-NYLHMBADSA-N -1 1 347.846 2.322 20 0 EEADMM Cc1cc(C)nc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125856574 764964221 /nfs/dbraw/zinc/96/42/21/764964221.db2.gz DATSOTVRRUKSPA-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM O=C(C=C1CCCCC1)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979663830 770805042 /nfs/dbraw/zinc/80/50/42/770805042.db2.gz GROHKIMNGILPLH-SHTZXODSSA-N -1 1 343.427 2.302 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979668411 770816281 /nfs/dbraw/zinc/81/62/81/770816281.db2.gz PYASHAFJXQZMJW-MGPQQGTHSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000942755979 783140325 /nfs/dbraw/zinc/14/03/25/783140325.db2.gz KDCYWKULBKGSFC-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000942757949 783146092 /nfs/dbraw/zinc/14/60/92/783146092.db2.gz JKNQERXAVWSCNS-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1C ZINC000938762656 774583892 /nfs/dbraw/zinc/58/38/92/774583892.db2.gz AXDPTLKZSFBCPD-HNNXBMFYSA-N -1 1 339.395 2.049 20 0 EEADMM O=C(CC1CCCCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088256927 783230491 /nfs/dbraw/zinc/23/04/91/783230491.db2.gz CEQYMHYYIKHFSA-HNNXBMFYSA-N -1 1 349.479 2.342 20 0 EEADMM O=C(NCc1ccc(N2CCOC2=O)cc1)c1cc(F)ccc1[O-] ZINC000180874340 775122022 /nfs/dbraw/zinc/12/20/22/775122022.db2.gz RVFBMRZAMIYSSV-UHFFFAOYSA-N -1 1 330.315 2.418 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000939460874 776574740 /nfs/dbraw/zinc/57/47/40/776574740.db2.gz QWRQRKZKVJKXEH-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1ccsc1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940064491 777983282 /nfs/dbraw/zinc/98/32/82/777983282.db2.gz YCSZMQVEWUUXHP-UHFFFAOYSA-N -1 1 345.424 2.145 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(F)CCCCC1 ZINC000940163423 778200269 /nfs/dbraw/zinc/20/02/69/778200269.db2.gz MIZGDSPJQNBYDZ-CHWSQXEVSA-N -1 1 349.406 2.036 20 0 EEADMM COc1cccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])s2)N(C)C)c1 ZINC000324889974 778280021 /nfs/dbraw/zinc/28/00/21/778280021.db2.gz NVHCECQUEHBSKO-CYBMUJFWSA-N -1 1 348.424 2.488 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H]2CCc3c2cccc3F)o1 ZINC000893671730 778606852 /nfs/dbraw/zinc/60/68/52/778606852.db2.gz SEFAHGRACCYZAV-LBPRGKRZSA-N -1 1 339.344 2.171 20 0 EEADMM Cc1cocc1C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946270362 790640386 /nfs/dbraw/zinc/64/03/86/790640386.db2.gz CNEHJXMXMOSNAB-JSGCOSHPSA-N -1 1 343.383 2.017 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000946279359 790694866 /nfs/dbraw/zinc/69/48/66/790694866.db2.gz YZIYCHUVCQCPSF-GXTWGEPZSA-N -1 1 345.443 2.238 20 0 EEADMM COCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000932260151 780153824 /nfs/dbraw/zinc/15/38/24/780153824.db2.gz COAULGIYEQPFLE-SNVBAGLBSA-N -1 1 333.215 2.150 20 0 EEADMM COCCN1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000932260151 780153832 /nfs/dbraw/zinc/15/38/32/780153832.db2.gz COAULGIYEQPFLE-SNVBAGLBSA-N -1 1 333.215 2.150 20 0 EEADMM CS[C@H]1CC[C@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000080848161 780907840 /nfs/dbraw/zinc/90/78/40/780907840.db2.gz WBIDJSLXUMOUGT-STQMWFEESA-N -1 1 348.472 2.385 20 0 EEADMM CC(C)Cc1nsc(N(C)CCN(C)C(=O)c2ncccc2[O-])n1 ZINC001105376076 781069360 /nfs/dbraw/zinc/06/93/60/781069360.db2.gz BXLDGWJYYYRJLJ-UHFFFAOYSA-N -1 1 349.460 2.046 20 0 EEADMM Cc1cc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)nc(C)n1 ZINC001063365161 790850454 /nfs/dbraw/zinc/85/04/54/790850454.db2.gz RPHDLLMVPCTVAV-HDJSIYSDSA-N -1 1 341.415 2.347 20 0 EEADMM Cc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)OCC3CC3)CC2)c1 ZINC000905988272 783621444 /nfs/dbraw/zinc/62/14/44/783621444.db2.gz GODLFUPRCIRGSU-INIZCTEOSA-N -1 1 332.400 2.285 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCCCc2cn[nH]c2)c(=O)[n-]1 ZINC000816159536 783731889 /nfs/dbraw/zinc/73/18/89/783731889.db2.gz SGXSRVXBIJUVRA-UHFFFAOYSA-N -1 1 336.417 2.044 20 0 EEADMM CO[C@H](COC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)C ZINC000816352545 783928581 /nfs/dbraw/zinc/92/85/81/783928581.db2.gz NSXZWJBASDEECD-GFCCVEGCSA-N -1 1 328.434 2.359 20 0 EEADMM O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476955 784645450 /nfs/dbraw/zinc/64/54/50/784645450.db2.gz DCPSCXJYJXKBCR-FQUUOJAGSA-N -1 1 335.477 2.423 20 0 EEADMM O=C([C@@H](F)CC1CCCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478296 784646883 /nfs/dbraw/zinc/64/68/83/784646883.db2.gz ILGADOAEQXVMPB-RYUDHWBXSA-N -1 1 327.429 2.125 20 0 EEADMM C[C@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945757892 784832197 /nfs/dbraw/zinc/83/21/97/784832197.db2.gz VVGJHXTYBGAAOM-DZGCQCFKSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1nc(CN[C@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)c(C)o1 ZINC000995709861 784949671 /nfs/dbraw/zinc/94/96/71/784949671.db2.gz JYTNGBDPJHLZJK-HNNXBMFYSA-N -1 1 344.415 2.032 20 0 EEADMM CN(C(=O)Cc1n[nH]c2c1CCCC2)c1cccc(CC(=O)[O-])c1 ZINC000908088449 785055570 /nfs/dbraw/zinc/05/55/70/785055570.db2.gz KPZLUJUFAKGDLA-UHFFFAOYSA-N -1 1 327.384 2.121 20 0 EEADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)c3ncccc3[O-])C2)CCC1 ZINC000946003331 785282668 /nfs/dbraw/zinc/28/26/68/785282668.db2.gz CTACCVOFJPGZSM-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000908439562 785414689 /nfs/dbraw/zinc/41/46/89/785414689.db2.gz WSCVQQBDFFEXQT-AWEZNQCLSA-N -1 1 329.400 2.091 20 0 EEADMM Cn1cc([C@@H]2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2(C)C)cn1 ZINC000908503765 785488325 /nfs/dbraw/zinc/48/83/25/785488325.db2.gz GHYYHDGTPSEJDE-AWEZNQCLSA-N -1 1 341.415 2.059 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1)c1ncccc1[O-] ZINC000946099109 785497660 /nfs/dbraw/zinc/49/76/60/785497660.db2.gz BDJCOMRHGNONQG-CABCVRRESA-N -1 1 339.395 2.116 20 0 EEADMM O=C(CC1CCCC1)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946099995 785500425 /nfs/dbraw/zinc/50/04/25/785500425.db2.gz CPJOHBIAXIZVPE-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM CC(=O)N[C@@H](C(=O)Nc1cccc([O-])c1Br)C(C)C ZINC000908714320 785666193 /nfs/dbraw/zinc/66/61/93/785666193.db2.gz IUKZGZJVODGFBN-GFCCVEGCSA-N -1 1 329.194 2.254 20 0 EEADMM CC[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N(C)C)C1CC1 ZINC000908745343 785684917 /nfs/dbraw/zinc/68/49/17/785684917.db2.gz ARXCBDUMCDUOAO-OLZOCXBDSA-N -1 1 339.461 2.388 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N(C)C)C1CCC1 ZINC000908745968 785684959 /nfs/dbraw/zinc/68/49/59/785684959.db2.gz GJSNCYZZWLTDCS-AAEUAGOBSA-N -1 1 339.461 2.388 20 0 EEADMM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000908756376 785702622 /nfs/dbraw/zinc/70/26/22/785702622.db2.gz HPVRJZAOKLSUNY-WBVHZDCISA-N -1 1 345.443 2.298 20 0 EEADMM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)N(C)C ZINC000908848438 785788960 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EEADMM COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598902230 997193511 /nfs/dbraw/zinc/19/35/11/997193511.db2.gz WVJSLETUMXCGJM-GOEBONIOSA-N -1 1 345.351 2.065 20 0 EEADMM CON(C)C(=O)C1CCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CC1 ZINC001599315310 997488699 /nfs/dbraw/zinc/48/86/99/997488699.db2.gz COURFMNRGQCDKB-UHFFFAOYSA-N -1 1 337.420 2.068 20 0 EEADMM COc1cc(-c2noc(CN[C@H](CC(=O)[O-])C3CC3)n2)ccc1C ZINC001599348415 998049982 /nfs/dbraw/zinc/04/99/82/998049982.db2.gz FIRWIBWZVDWVMH-CYBMUJFWSA-N -1 1 331.372 2.397 20 0 EEADMM COC(=O)c1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])nc1 ZINC001598971582 998525613 /nfs/dbraw/zinc/52/56/13/998525613.db2.gz CUOOGTVVZGWADR-MLGOLLRUSA-N -1 1 328.368 2.420 20 0 EEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cn(Cc2ccccc2)nn1 ZINC001594209918 998814256 /nfs/dbraw/zinc/81/42/56/998814256.db2.gz KGBQNSSVJDNRIN-KBPBESRZSA-N -1 1 328.416 2.400 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594448309 999643794 /nfs/dbraw/zinc/64/37/94/999643794.db2.gz QPTNSMNXZCISJJ-PIGZYNQJSA-N -1 1 339.395 2.359 20 0 EEADMM CN(C(=O)c1ccc(Oc2cccc(Cl)c2)cn1)c1nn[n-]n1 ZINC001437665854 1090194419 /nfs/dbraw/zinc/19/44/19/1090194419.db2.gz MPWFJANNWQRIDG-UHFFFAOYSA-N -1 1 330.735 2.317 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2C)c1[O-] ZINC001440920987 1094174017 /nfs/dbraw/zinc/17/40/17/1094174017.db2.gz VTENIGSJVYHVBI-LLVKDONJSA-N -1 1 334.395 2.122 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CC[C@H](SC)C2)c(=O)[n-]1 ZINC001450370961 1094621952 /nfs/dbraw/zinc/62/19/52/1094621952.db2.gz NNIXIGJMYVXUPF-JTQLQIEISA-N -1 1 327.475 2.109 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H](F)c1ccccc1 ZINC001442713087 1097082085 /nfs/dbraw/zinc/08/20/85/1097082085.db2.gz GIJGDOZAEBBGAQ-WFASDCNBSA-N -1 1 345.374 2.075 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H](F)c1ccccc1 ZINC001442713081 1097082368 /nfs/dbraw/zinc/08/23/68/1097082368.db2.gz GIJGDOZAEBBGAQ-DOMZBBRYSA-N -1 1 345.374 2.075 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)C1(O)CCCC1 ZINC001451484246 1097658345 /nfs/dbraw/zinc/65/83/45/1097658345.db2.gz RFSVQBBBGLHEBJ-UHFFFAOYSA-N -1 1 339.461 2.274 20 0 EEADMM CCC(CC)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC001451680073 1097795818 /nfs/dbraw/zinc/79/58/18/1097795818.db2.gz IZBZDDYRVROSLS-OCCSQVGLSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@H](CN(C)C(=O)CCCC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001444054328 1098579430 /nfs/dbraw/zinc/57/94/30/1098579430.db2.gz WSRILNOPRVSZOC-SNVBAGLBSA-N -1 1 347.337 2.097 20 0 EEADMM CCC(C)(C)CC(=O)NCCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001444226642 1098787946 /nfs/dbraw/zinc/78/79/46/1098787946.db2.gz ZLHMIUGPXHWDBF-UHFFFAOYSA-N -1 1 337.468 2.055 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001480182166 1099768927 /nfs/dbraw/zinc/76/89/27/1099768927.db2.gz LLUZXXHXEOFBMU-AGUYFDCRSA-N -1 1 349.479 2.194 20 0 EEADMM CC1(CCC(=O)N2CCC3(CN(C(=O)c4ncccc4[O-])C3)C2)CC1 ZINC001445194734 1100453520 /nfs/dbraw/zinc/45/35/20/1100453520.db2.gz IWGVLGLUBHGLHO-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)C1CCC(C)(C)CC1)C1CC1 ZINC001495304929 1101006967 /nfs/dbraw/zinc/00/69/67/1101006967.db2.gz YSSKEUQRWRWJMR-GOSISDBHSA-N -1 1 349.479 2.101 20 0 EEADMM Cc1cccc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])c1F ZINC001495509869 1101222779 /nfs/dbraw/zinc/22/27/79/1101222779.db2.gz GUVRRRRJFNZTQV-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CCN(CCNC(=O)c1cc(C)c(C)s1)C(=O)c1ncccc1[O-] ZINC001496993194 1101802434 /nfs/dbraw/zinc/80/24/34/1101802434.db2.gz PPJJSYZHUAMGGT-UHFFFAOYSA-N -1 1 347.440 2.358 20 0 EEADMM O=C(CCCC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001454243227 1106961718 /nfs/dbraw/zinc/96/17/18/1106961718.db2.gz PFOIDOCRDPWWIQ-GASCZTMLSA-N -1 1 343.427 2.183 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cnccc1C(F)(F)F ZINC001454256604 1106979302 /nfs/dbraw/zinc/97/93/02/1106979302.db2.gz WABZSFLRMRFZLH-LBPRGKRZSA-N -1 1 348.288 2.133 20 0 EEADMM CCC(CC)C(=O)NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001454436857 1107241833 /nfs/dbraw/zinc/24/18/33/1107241833.db2.gz ZGHANVHBUOXDGX-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCN(C(=O)CC(C)(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001498783630 1108094582 /nfs/dbraw/zinc/09/45/82/1108094582.db2.gz WILQTGLBIPHUKN-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)c1occc1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001457321048 1109554755 /nfs/dbraw/zinc/55/47/55/1109554755.db2.gz AFVQNUVBXMLVIW-LBPRGKRZSA-N -1 1 345.399 2.300 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001458930824 1110022059 /nfs/dbraw/zinc/02/20/59/1110022059.db2.gz ZTVDXZVTOUPALM-HDJSIYSDSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)Nc1ccccc1 ZINC001462967820 1110366576 /nfs/dbraw/zinc/36/65/76/1110366576.db2.gz MZWFNVWYZZAHHN-UHFFFAOYSA-N -1 1 330.818 2.319 20 0 EEADMM O=C(CC1COC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001463882285 1110382545 /nfs/dbraw/zinc/38/25/45/1110382545.db2.gz PFMMWVSJSZGGDV-UHFFFAOYSA-N -1 1 346.408 2.462 20 0 EEADMM COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(F)c([O-])c3)cc21 ZINC001464034710 1110385757 /nfs/dbraw/zinc/38/57/57/1110385757.db2.gz YFTWVSLPWZNXEM-UHFFFAOYSA-N -1 1 329.287 2.447 20 0 EEADMM O=S(=O)([N-]Cc1cnc(Cl)cn1)c1cc2cc(F)ccc2o1 ZINC001475703727 1110618028 /nfs/dbraw/zinc/61/80/28/1110618028.db2.gz RYNVNWHJHJELIE-UHFFFAOYSA-N -1 1 341.751 2.494 20 0 EEADMM CC[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)NC(=O)C1CCC1 ZINC001499252113 1112201566 /nfs/dbraw/zinc/20/15/66/1112201566.db2.gz MZVCTCITCZGXMD-ZDUSSCGKSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1cnc([C@@H](C)NC[C@H](C2CC2)N(C)C(=O)c2ncccc2[O-])o1 ZINC001507008502 1115050424 /nfs/dbraw/zinc/05/04/24/1115050424.db2.gz ILHIWCIABZWBJE-TZMCWYRMSA-N -1 1 344.415 2.285 20 0 EEADMM CC(C)c1occc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001510524939 1117764416 /nfs/dbraw/zinc/76/44/16/1117764416.db2.gz BYIOUDDOCXKFNF-GFCCVEGCSA-N -1 1 345.399 2.394 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001521737307 1119273852 /nfs/dbraw/zinc/27/38/52/1119273852.db2.gz KTCCLGBWWRIELR-NWDGAFQWSA-N -1 1 337.445 2.201 20 0 EEADMM Cn1ccnc1[C@H]1OCCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC001549709373 1121429038 /nfs/dbraw/zinc/42/90/38/1121429038.db2.gz RTGSCPUDYGRKGB-NHYWBVRUSA-N -1 1 333.363 2.163 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@H]21 ZINC001549863205 1121499246 /nfs/dbraw/zinc/49/92/46/1121499246.db2.gz FIVZMYMWXCAPFI-UBHSHLNASA-N -1 1 347.459 2.410 20 0 EEADMM CCCN(CCNC(=O)[C@@H]1C[C@H]1CC(C)C)C(=O)c1ncccc1[O-] ZINC001529664035 1121529952 /nfs/dbraw/zinc/52/99/52/1121529952.db2.gz FTZPFRDWYJXWQQ-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1cccnc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001549923934 1121536299 /nfs/dbraw/zinc/53/62/99/1121536299.db2.gz NKORAAMTIDHXEB-HOTGVXAUSA-N -1 1 339.395 2.129 20 0 EEADMM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3C[C@H]3c3cnc[nH]3)CC2)s1 ZINC001550379158 1121781092 /nfs/dbraw/zinc/78/10/92/1121781092.db2.gz INCYZMMOQSYWAX-MNOVXSKESA-N -1 1 346.412 2.074 20 0 EEADMM CCn1cc(O[C@@H]2CCC[C@H]2NC(=O)c2ccc([O-])cc2F)cn1 ZINC001550517836 1121905729 /nfs/dbraw/zinc/90/57/29/1121905729.db2.gz LDNKRHYQZVIEIU-HZPDHXFCSA-N -1 1 333.363 2.478 20 0 EEADMM Cc1noc([C@@]23CCC[C@@H]2CN(C(=O)c2ccc([O-])cc2F)C3)n1 ZINC001550525836 1121914740 /nfs/dbraw/zinc/91/47/40/1121914740.db2.gz BBQJCBFBMTWFHI-PIGZYNQJSA-N -1 1 331.347 2.417 20 0 EEADMM Cc1noc([C@@]23CCC[C@@H]2CN(C(=O)c2cc(F)ccc2[O-])C3)n1 ZINC001550526322 1121914824 /nfs/dbraw/zinc/91/48/24/1121914824.db2.gz JLBTXJHGADPYTE-PIGZYNQJSA-N -1 1 331.347 2.417 20 0 EEADMM Cc1csc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)c1 ZINC001532726721 1122910067 /nfs/dbraw/zinc/91/00/67/1122910067.db2.gz GVXVCUBQYJCXSF-GFCCVEGCSA-N -1 1 347.440 2.342 20 0 EEADMM Cc1sc2ncn([N-]C(=O)c3cccc4[nH]cnc43)c(=O)c2c1C ZINC001539140642 1124047307 /nfs/dbraw/zinc/04/73/07/1124047307.db2.gz ATQYAKCXCPALSJ-UHFFFAOYSA-N -1 1 339.380 2.335 20 0 EEADMM O=C(CCNC(=O)c1ncc2ccccc2c1[O-])Nc1ccccn1 ZINC001544679702 1124163549 /nfs/dbraw/zinc/16/35/49/1124163549.db2.gz BUPHXWZENDVXIY-UHFFFAOYSA-N -1 1 336.351 2.094 20 0 EEADMM COC(=O)c1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001548512922 1124314921 /nfs/dbraw/zinc/31/49/21/1124314921.db2.gz JIXJZVBAYGZEAK-UHFFFAOYSA-N -1 1 341.367 2.068 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC001548704916 1124446516 /nfs/dbraw/zinc/44/65/16/1124446516.db2.gz HGGPQSKLQBUMHB-KRTXAFLBSA-N -1 1 335.360 2.170 20 0 EEADMM O=C(Cc1cc(Cl)ccc1Cl)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548769054 1124491325 /nfs/dbraw/zinc/49/13/25/1124491325.db2.gz UTDRWDZFRQYXAW-QMMMGPOBSA-N -1 1 326.187 2.065 20 0 EEADMM C[C@@H](Sc1ccccc1Cl)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548769221 1124493134 /nfs/dbraw/zinc/49/31/34/1124493134.db2.gz YGIXYIKBBNHIER-ZJUUUORDSA-N -1 1 337.836 2.350 20 0 EEADMM CN(CC(=O)[N-]OCc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000165011430 529836141 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CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735873216 578171056 /nfs/dbraw/zinc/17/10/56/578171056.db2.gz CNTANHCASXGJRQ-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735873216 578171057 /nfs/dbraw/zinc/17/10/57/578171057.db2.gz CNTANHCASXGJRQ-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM CC(C)Oc1ccccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735913049 578173459 /nfs/dbraw/zinc/17/34/59/578173459.db2.gz DSKBZXPILHHPGY-UHFFFAOYSA-N -1 1 330.392 2.398 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736120503 578181946 /nfs/dbraw/zinc/18/19/46/578181946.db2.gz XSKGFPSQRYRRKU-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736120503 578181947 /nfs/dbraw/zinc/18/19/47/578181947.db2.gz XSKGFPSQRYRRKU-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736265362 578192068 /nfs/dbraw/zinc/19/20/68/578192068.db2.gz 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CC[C@](C)(NCC(=O)Nc1ccc(N2CCCC2)cc1C)C(=O)[O-] ZINC000736863797 578227395 /nfs/dbraw/zinc/22/73/95/578227395.db2.gz PQCHBKVRZKRANW-SFHVURJKSA-N -1 1 333.432 2.377 20 0 EEADMM CC[C@H]1CN(CCn2cccn2)CCN1Cc1cc(C(=O)[O-])oc1C ZINC000736942935 578230046 /nfs/dbraw/zinc/23/00/46/578230046.db2.gz GVBPNQIEGSHGCW-INIZCTEOSA-N -1 1 346.431 2.079 20 0 EEADMM CCCC(=O)N[C@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736950817 578230763 /nfs/dbraw/zinc/23/07/63/578230763.db2.gz FKZVYCISMQLNBT-HNNXBMFYSA-N -1 1 334.416 2.144 20 0 EEADMM CCCN(CC(=O)NC1(C(=O)[O-])CCCCC1)C[C@@H]1CCCCO1 ZINC000737008304 578233000 /nfs/dbraw/zinc/23/30/00/578233000.db2.gz ZZMFRXJIOUGMRE-HNNXBMFYSA-N -1 1 340.464 2.171 20 0 EEADMM CCN(C)[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000737067424 578236075 /nfs/dbraw/zinc/23/60/75/578236075.db2.gz ARJALBQYQYLXEJ-HZPDHXFCSA-N -1 1 330.428 2.393 20 0 EEADMM Cc1ccc(-c2nnc(Sc3nccnc3-c3nn[n-]n3)o2)cc1 ZINC000737289229 578248308 /nfs/dbraw/zinc/24/83/08/578248308.db2.gz 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/nfs/dbraw/zinc/25/83/66/578258366.db2.gz HZIRLDJNRLEQOH-UHFFFAOYSA-N -1 1 338.400 2.229 20 0 EEADMM CCN(C(=O)CN[C@@H](C(=O)[O-])C(C)C)c1nc2ccccc2s1 ZINC000820332665 598188892 /nfs/dbraw/zinc/18/88/92/598188892.db2.gz AIDFPJGUVFAASL-CQSZACIVSA-N -1 1 335.429 2.348 20 0 EEADMM CN1CCN(c2ccc(NCc3cccc(C(=O)[O-])c3)cn2)CC1 ZINC000263443625 598200912 /nfs/dbraw/zinc/20/09/12/598200912.db2.gz FHBUUOWVJMNXIZ-UHFFFAOYSA-N -1 1 326.400 2.144 20 0 EEADMM CC(=O)N(c1nc(CN[C@H](CC(C)C)C(=O)[O-])cs1)C1CC1 ZINC000817694618 598208931 /nfs/dbraw/zinc/20/89/31/598208931.db2.gz ANGDBBNJMPDQGE-CYBMUJFWSA-N -1 1 325.434 2.247 20 0 EEADMM Cc1oc(NC(=O)CN(C)[C@H](C)c2ccco2)c(-c2nn[n-]n2)c1C ZINC000822541356 607365045 /nfs/dbraw/zinc/36/50/45/607365045.db2.gz NNPRCDSMRQYHGO-SNVBAGLBSA-N -1 1 344.375 2.301 20 0 EEADMM Clc1nsc(N2CCC(OCC3CC3)CC2)c1-c1nnn[n-]1 ZINC000822589841 599359070 /nfs/dbraw/zinc/35/90/70/599359070.db2.gz AUBNSGVMXWNWBN-UHFFFAOYSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC(OCC3CC3)CC2)c1-c1nn[n-]n1 ZINC000822589841 599359071 /nfs/dbraw/zinc/35/90/71/599359071.db2.gz AUBNSGVMXWNWBN-UHFFFAOYSA-N -1 1 340.840 2.372 20 0 EEADMM O=C([O-])[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000391972211 599784298 /nfs/dbraw/zinc/78/42/98/599784298.db2.gz WGCREEDPHNOCAC-INIZCTEOSA-N -1 1 343.770 2.263 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000327465465 600330600 /nfs/dbraw/zinc/33/06/00/600330600.db2.gz WCZWNAQHFAILJD-YOEHRIQHSA-N -1 1 345.443 2.196 20 0 EEADMM CCCN1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC000829508499 600679963 /nfs/dbraw/zinc/67/99/63/600679963.db2.gz UCVSVDYMXYMTDK-UHFFFAOYSA-N -1 1 349.412 2.239 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccccc1F ZINC000833164852 600735753 /nfs/dbraw/zinc/73/57/53/600735753.db2.gz CKVAYYSGGNODOZ-KRWDZBQOSA-N -1 1 340.358 2.381 20 0 EEADMM C[C@@](NCC(=O)NCC1(c2ccccc2)CCCC1)(C(=O)[O-])C1CC1 ZINC000827727402 601034997 /nfs/dbraw/zinc/03/49/97/601034997.db2.gz JIMVIZZSDGVWKG-IBGZPJMESA-N -1 1 344.455 2.458 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000827586361 601098676 /nfs/dbraw/zinc/09/86/76/601098676.db2.gz KYWNKEBIYPXFNC-UONOGXRCSA-N -1 1 336.407 2.012 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000827369149 601123287 /nfs/dbraw/zinc/12/32/87/601123287.db2.gz PHPRUAWBVNFQHV-NSHDSACASA-N -1 1 325.796 2.353 20 0 EEADMM C[C@@H](C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])N(C)C ZINC000832803052 601137098 /nfs/dbraw/zinc/13/70/98/601137098.db2.gz AXBWCFCIDVGKID-GUYCJALGSA-N -1 1 328.412 2.149 20 0 EEADMM COc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832373688 601492158 /nfs/dbraw/zinc/49/21/58/601492158.db2.gz FXIYMNZFORFNTI-UHFFFAOYSA-N -1 1 329.305 2.235 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000828714496 601498671 /nfs/dbraw/zinc/49/86/71/601498671.db2.gz AVBKHLJMODJELX-RVSPLBMKSA-N -1 1 336.407 2.231 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@H]1C(=O)[O-] ZINC000828438616 601531051 /nfs/dbraw/zinc/53/10/51/601531051.db2.gz FIKXYURWDQFHOI-PSASIEDQSA-N -1 1 337.376 2.026 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000826786004 601543518 /nfs/dbraw/zinc/54/35/18/601543518.db2.gz IZRIYDJDWRHPJB-APWZRJJASA-N -1 1 332.444 2.266 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000830581867 601682901 /nfs/dbraw/zinc/68/29/01/601682901.db2.gz SLYMJTBRSIVQRD-ZDUSSCGKSA-N -1 1 341.839 2.353 20 0 EEADMM C[C@H]1CCCCCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828252854 601879668 /nfs/dbraw/zinc/87/96/68/601879668.db2.gz YZYYOOIYYHZWTH-ZDUSSCGKSA-N -1 1 345.399 2.375 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000829119544 601918662 /nfs/dbraw/zinc/91/86/62/601918662.db2.gz RWKFSHCIYCCQJI-MJBXVCDLSA-N -1 1 328.478 2.058 20 0 EEADMM C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000827622944 601924796 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C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)Cc1ccccc1 ZINC000824656257 607564353 /nfs/dbraw/zinc/56/43/53/607564353.db2.gz JVSTXQUERUBZTP-MFKMUULPSA-N -1 1 344.806 2.319 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)Cc1ccccc1 ZINC000824656257 607564355 /nfs/dbraw/zinc/56/43/55/607564355.db2.gz JVSTXQUERUBZTP-MFKMUULPSA-N -1 1 344.806 2.319 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826296668 607611408 /nfs/dbraw/zinc/61/14/08/607611408.db2.gz FJROTAZKGGZWFS-UHFFFAOYSA-N -1 1 338.371 2.034 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826296668 607611409 /nfs/dbraw/zinc/61/14/09/607611409.db2.gz FJROTAZKGGZWFS-UHFFFAOYSA-N -1 1 338.371 2.034 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1)C(=O)[O-] ZINC000833544085 604635571 /nfs/dbraw/zinc/63/55/71/604635571.db2.gz WSXKJPDQPKTZJM-GDBMZVCRSA-N -1 1 346.427 2.125 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000833421129 604931846 /nfs/dbraw/zinc/93/18/46/604931846.db2.gz IEJNRHMXMHNDAE-OAHLLOKOSA-N -1 1 334.416 2.057 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000833421283 604953109 /nfs/dbraw/zinc/95/31/09/604953109.db2.gz LKDRUVJMEFMBPL-NSHDSACASA-N -1 1 339.823 2.496 20 0 EEADMM CCC(CC)(CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)SC ZINC000833640606 605053666 /nfs/dbraw/zinc/05/36/66/605053666.db2.gz HTCRPBPDNFNKEG-CYBMUJFWSA-N -1 1 345.509 2.099 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@H]1C ZINC000833655294 605154566 /nfs/dbraw/zinc/15/45/66/605154566.db2.gz CJSIECQYWGRCNE-OLZOCXBDSA-N -1 1 335.404 2.096 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833385135 605167441 /nfs/dbraw/zinc/16/74/41/605167441.db2.gz GNJDSWWWVLYSLB-CMPYXILNSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000833454716 605255276 /nfs/dbraw/zinc/25/52/76/605255276.db2.gz NJPNXVBILFSNOT-UHFFFAOYSA-N -1 1 333.432 2.053 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cccc(F)c1 ZINC000833514535 605278424 /nfs/dbraw/zinc/27/84/24/605278424.db2.gz SQBVYACLOWXFRI-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833617544 605278467 /nfs/dbraw/zinc/27/84/67/605278467.db2.gz DPZGBDIAYBSCQH-HSWBROFVSA-N -1 1 334.391 2.236 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)O1 ZINC000833585737 605325336 /nfs/dbraw/zinc/32/53/36/605325336.db2.gz UPUYEZLERNDKFZ-STQMWFEESA-N -1 1 340.420 2.123 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325335528 605438997 /nfs/dbraw/zinc/43/89/97/605438997.db2.gz AZNFFNHYTGDAPZ-GJZGRUSLSA-N -1 1 337.464 2.290 20 0 EEADMM C[C@H](CN(CN1C[C@@H](Cc2ccccc2)OC1=O)C1CC1)C(=O)[O-] ZINC000833516694 605786377 /nfs/dbraw/zinc/78/63/77/605786377.db2.gz SVAILFOTKILPMU-CZUORRHYSA-N -1 1 332.400 2.193 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(F)cc1 ZINC000820512321 606137340 /nfs/dbraw/zinc/13/73/40/606137340.db2.gz KDCMFJSPDLLJTL-QMMMGPOBSA-N -1 1 346.343 2.496 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc(F)cc1 ZINC000820512321 606137341 /nfs/dbraw/zinc/13/73/41/606137341.db2.gz KDCMFJSPDLLJTL-QMMMGPOBSA-N -1 1 346.343 2.496 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822352149 606139327 /nfs/dbraw/zinc/13/93/27/606139327.db2.gz VCMGSWFHVFFWHA-GOSISDBHSA-N -1 1 346.394 2.291 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822352149 606139328 /nfs/dbraw/zinc/13/93/28/606139328.db2.gz VCMGSWFHVFFWHA-GOSISDBHSA-N -1 1 346.394 2.291 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1nccnc1-c1nnn[n-]1 ZINC000823798796 606478724 /nfs/dbraw/zinc/47/87/24/606478724.db2.gz YNQAMBRGUGHDKR-LBPRGKRZSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1nccnc1-c1nn[n-]n1 ZINC000823798796 606478726 /nfs/dbraw/zinc/47/87/26/606478726.db2.gz YNQAMBRGUGHDKR-LBPRGKRZSA-N -1 1 325.401 2.099 20 0 EEADMM CO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821676562 606523609 /nfs/dbraw/zinc/52/36/09/606523609.db2.gz ASIGDUGCBOFVFM-NSHDSACASA-N -1 1 329.385 2.046 20 0 EEADMM CO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821676562 606523611 /nfs/dbraw/zinc/52/36/11/606523611.db2.gz ASIGDUGCBOFVFM-NSHDSACASA-N -1 1 329.385 2.046 20 0 EEADMM CC(C)(C)Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]1 ZINC000819913690 606572623 /nfs/dbraw/zinc/57/26/23/606572623.db2.gz BPPGRGDGJIIGAO-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM CC(C)(C)Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]1 ZINC000819913690 606572625 /nfs/dbraw/zinc/57/26/25/606572625.db2.gz BPPGRGDGJIIGAO-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM C[C@@H](CO[C@@H]1CCOC1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820287920 606634208 /nfs/dbraw/zinc/63/42/08/606634208.db2.gz SDFVPZAWDPZMFL-NWDGAFQWSA-N -1 1 340.387 2.021 20 0 EEADMM C[C@@H](CO[C@@H]1CCOC1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820287920 606634209 /nfs/dbraw/zinc/63/42/09/606634209.db2.gz SDFVPZAWDPZMFL-NWDGAFQWSA-N -1 1 340.387 2.021 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822309036 606764262 /nfs/dbraw/zinc/76/42/62/606764262.db2.gz MCKYJWNMIGVQMV-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(F)cc(F)cc2C1 ZINC000823488238 607055059 /nfs/dbraw/zinc/05/50/59/607055059.db2.gz KLRCLWNUCITZOG-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(F)cc(F)cc2C1 ZINC000823488238 607055061 /nfs/dbraw/zinc/05/50/61/607055061.db2.gz KLRCLWNUCITZOG-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1SCCc2ccccc21 ZINC000823380282 607110966 /nfs/dbraw/zinc/11/09/66/607110966.db2.gz UTCUNXXVLXIORT-NSHDSACASA-N -1 1 344.425 2.292 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1SCCc2ccccc21 ZINC000823380282 607110968 /nfs/dbraw/zinc/11/09/68/607110968.db2.gz UTCUNXXVLXIORT-NSHDSACASA-N -1 1 344.425 2.292 20 0 EEADMM FC(F)(F)CC1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822714534 607119369 /nfs/dbraw/zinc/11/93/69/607119369.db2.gz OPKRCFCHLOMCPQ-UHFFFAOYSA-N -1 1 335.293 2.199 20 0 EEADMM FC(F)(F)CC1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822714534 607119371 /nfs/dbraw/zinc/11/93/71/607119371.db2.gz OPKRCFCHLOMCPQ-UHFFFAOYSA-N -1 1 335.293 2.199 20 0 EEADMM CCc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)oc1CC ZINC000821471180 607157886 /nfs/dbraw/zinc/15/78/86/607157886.db2.gz WRGRBBWGTZXXEY-UHFFFAOYSA-N -1 1 327.344 2.337 20 0 EEADMM CCc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)oc1CC ZINC000821471180 607157888 /nfs/dbraw/zinc/15/78/88/607157888.db2.gz WRGRBBWGTZXXEY-UHFFFAOYSA-N -1 1 327.344 2.337 20 0 EEADMM c1ccc2[nH]c([C@H]3CCCN3c3cccc(-c4nnn[n-]4)n3)nc2c1 ZINC000826514605 607895665 /nfs/dbraw/zinc/89/56/65/607895665.db2.gz XBZCTVUIMFFCLI-CQSZACIVSA-N -1 1 332.371 2.480 20 0 EEADMM c1ccc2[nH]c([C@H]3CCCN3c3cccc(-c4nn[n-]n4)n3)nc2c1 ZINC000826514605 607895666 /nfs/dbraw/zinc/89/56/66/607895666.db2.gz XBZCTVUIMFFCLI-CQSZACIVSA-N -1 1 332.371 2.480 20 0 EEADMM CCN(Cc1ccc(OC)c(OC)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000825435034 607901958 /nfs/dbraw/zinc/90/19/58/607901958.db2.gz JLDDNUOQKISJDA-UHFFFAOYSA-N -1 1 340.387 2.305 20 0 EEADMM CCN(Cc1ccc(OC)c(OC)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000825435034 607901959 /nfs/dbraw/zinc/90/19/59/607901959.db2.gz JLDDNUOQKISJDA-UHFFFAOYSA-N -1 1 340.387 2.305 20 0 EEADMM COc1ccc2cc(CNc3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC000826212947 607988545 /nfs/dbraw/zinc/98/85/45/607988545.db2.gz GQBRJCRRMANYSU-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc2cc(CNc3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC000826212947 607988546 /nfs/dbraw/zinc/98/85/46/607988546.db2.gz GQBRJCRRMANYSU-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824070950 608115605 /nfs/dbraw/zinc/11/56/05/608115605.db2.gz FAFKSOMDDKYHAR-CABZTGNLSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824070950 608115606 /nfs/dbraw/zinc/11/56/06/608115606.db2.gz FAFKSOMDDKYHAR-CABZTGNLSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)c1nc(CCNc2nccnc2-c2nnn[n-]2)cs1 ZINC000824141143 608230284 /nfs/dbraw/zinc/23/02/84/608230284.db2.gz DEIJLNUACVIBQW-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)(C)c1nc(CCNc2nccnc2-c2nn[n-]n2)cs1 ZINC000824141143 608230286 /nfs/dbraw/zinc/23/02/86/608230286.db2.gz DEIJLNUACVIBQW-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)c1ncc(Cl)n1C ZINC000824723844 608333505 /nfs/dbraw/zinc/33/35/05/608333505.db2.gz VJAZBKFZLLFKCL-LURJTMIESA-N -1 1 338.780 2.233 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)c1ncc(Cl)n1C ZINC000824723844 608333507 /nfs/dbraw/zinc/33/35/07/608333507.db2.gz VJAZBKFZLLFKCL-LURJTMIESA-N -1 1 338.780 2.233 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824899769 608424307 /nfs/dbraw/zinc/42/43/07/608424307.db2.gz OCRKBDMTDPLUSL-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824899769 608424308 /nfs/dbraw/zinc/42/43/08/608424308.db2.gz OCRKBDMTDPLUSL-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1-n1cccn1 ZINC000824654894 608432676 /nfs/dbraw/zinc/43/26/76/608432676.db2.gz AERRSSYXAYPYMJ-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1-n1cccn1 ZINC000824654894 608432678 /nfs/dbraw/zinc/43/26/78/608432678.db2.gz AERRSSYXAYPYMJ-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@H](c2ccccc2)CO1 ZINC000824984863 608727941 /nfs/dbraw/zinc/72/79/41/608727941.db2.gz OQAISNIUIXEOED-DOMZBBRYSA-N -1 1 325.372 2.422 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@H](c2ccccc2)CO1 ZINC000824984863 608727943 /nfs/dbraw/zinc/72/79/43/608727943.db2.gz OQAISNIUIXEOED-DOMZBBRYSA-N -1 1 325.372 2.422 20 0 EEADMM O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(F)ccc1[O-] ZINC000826428170 608817870 /nfs/dbraw/zinc/81/78/70/608817870.db2.gz RBASLTJEAJAORB-UHFFFAOYSA-N -1 1 339.330 2.131 20 0 EEADMM CCC[C@@H]1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825254452 609161408 /nfs/dbraw/zinc/16/14/08/609161408.db2.gz RQJAKRGQAKMOEC-VXGBXAGGSA-N -1 1 331.376 2.106 20 0 EEADMM Fc1cccc(-n2ccc(NCc3cncs3)n2)c1-c1nn[n-]n1 ZINC000826376394 609320925 /nfs/dbraw/zinc/32/09/25/609320925.db2.gz BSHHLUMJCUGOHF-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM CC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825069132 609360916 /nfs/dbraw/zinc/36/09/16/609360916.db2.gz YHOKSAXXJYHXJP-VIFPVBQESA-N -1 1 344.354 2.112 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC000969500598 675075479 /nfs/dbraw/zinc/07/54/79/675075479.db2.gz RZNLEEGXSIYCSY-PWSUYJOCSA-N -1 1 346.406 2.374 20 0 EEADMM CCSCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000067623793 675081682 /nfs/dbraw/zinc/08/16/82/675081682.db2.gz GTIRCBFJUNFLKV-UHFFFAOYSA-N -1 1 335.447 2.266 20 0 EEADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1ccc(Br)cc1[O-] ZINC000891052497 675992209 /nfs/dbraw/zinc/99/22/09/675992209.db2.gz ILGVDXHXADFKIU-RYUDHWBXSA-N -1 1 326.190 2.310 20 0 EEADMM COC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000891297356 676326784 /nfs/dbraw/zinc/32/67/84/676326784.db2.gz UOEURLDVNJNUBK-PWSUYJOCSA-N -1 1 325.792 2.436 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)n[nH]1 ZINC000160780347 676453433 /nfs/dbraw/zinc/45/34/33/676453433.db2.gz NUKAOMNREYUNMB-UHFFFAOYSA-N -1 1 346.696 2.465 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(C2OCCO2)cc1 ZINC000891612747 676722575 /nfs/dbraw/zinc/72/25/75/676722575.db2.gz BEWPZCMYOQQSDO-UHFFFAOYSA-N -1 1 341.367 2.359 20 0 EEADMM COCc1cccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891618246 676726187 /nfs/dbraw/zinc/72/61/87/676726187.db2.gz NSHISKQAZAPPGJ-UHFFFAOYSA-N -1 1 327.384 2.389 20 0 EEADMM CN(C)c1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc(Cl)n1 ZINC000891624096 676733556 /nfs/dbraw/zinc/73/35/56/676733556.db2.gz WBARPAIQSVPAHI-UHFFFAOYSA-N -1 1 347.806 2.428 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc2c1OCCO2 ZINC000891625207 676734040 /nfs/dbraw/zinc/73/40/40/676734040.db2.gz XDRZYKNAGIVRSV-UHFFFAOYSA-N -1 1 327.340 2.085 20 0 EEADMM COc1cc(OC)cc(C(=O)N[N-]C(=O)c2cc(F)ccc2F)c1 ZINC000022632562 676778978 /nfs/dbraw/zinc/77/89/78/676778978.db2.gz UGMPCVKZXUKQFU-UHFFFAOYSA-N -1 1 336.294 2.057 20 0 EEADMM Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)c2ncccc2O)C[C@H]1C ZINC000947229021 677730578 /nfs/dbraw/zinc/73/05/78/677730578.db2.gz AGULPSNCUNMIDE-HUUCEWRRSA-N -1 1 340.427 2.274 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](C)C2)c1[O-] ZINC000947205282 679795069 /nfs/dbraw/zinc/79/50/69/679795069.db2.gz OJUQJCKELGILBL-NHYWBVRUSA-N -1 1 346.406 2.346 20 0 EEADMM CN(C(=O)C[C@H]1C=CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216798 681699711 /nfs/dbraw/zinc/69/97/11/681699711.db2.gz MMDJTVRGNOAEPF-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)c1[O-] ZINC001025390148 682654834 /nfs/dbraw/zinc/65/48/34/682654834.db2.gz 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O=C(CC1CCC1)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962946547 1217301961 /nfs/dbraw/zinc/30/19/61/1217301961.db2.gz PTRKURUPBFXGAM-HUUCEWRRSA-N -1 1 343.427 2.183 20 0 EEADMM O=C(CCC1CC1)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963684458 1217965155 /nfs/dbraw/zinc/96/51/55/1217965155.db2.gz SCCSYIHXMJQTNY-HNNXBMFYSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964423574 1218351547 /nfs/dbraw/zinc/35/15/47/1218351547.db2.gz WOSCEJAGYSPMRP-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)=C(F)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964466072 1218389864 /nfs/dbraw/zinc/38/98/64/1218389864.db2.gz BTMXQEJBUPRDKC-GFCCVEGCSA-N -1 1 335.379 2.162 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1)c1ccccc1 ZINC000964708289 1218561301 /nfs/dbraw/zinc/56/13/01/1218561301.db2.gz ZEGYSFPIYXRWRQ-OAHLLOKOSA-N -1 1 339.395 2.212 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)co1 ZINC000964846895 1218671165 /nfs/dbraw/zinc/67/11/65/1218671165.db2.gz CDHFLHZDEGWENG-AWEZNQCLSA-N -1 1 343.383 2.113 20 0 EEADMM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)C=CCC1 ZINC000965099291 1218893194 /nfs/dbraw/zinc/89/31/94/1218893194.db2.gz UADSHQUSKZNYCC-IFXJQAMLSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1nc(CN2CC[C@H](C)[C@@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC000965941521 1219383252 /nfs/dbraw/zinc/38/32/52/1219383252.db2.gz RPZBLUCAVXLHJW-FZMZJTMJSA-N -1 1 346.456 2.193 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)/C=C/C2CC2)C1)C(=O)c1ncccc1[O-] ZINC000966282226 1219643423 /nfs/dbraw/zinc/64/34/23/1219643423.db2.gz RBVJSKILNRPGBO-HVHJFMEUSA-N -1 1 343.427 2.064 20 0 EEADMM CCC1(C(=O)N2CCC[C@H](CN(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC000967417599 1220495271 /nfs/dbraw/zinc/49/52/71/1220495271.db2.gz IPRNQUOECJJWTQ-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CCN(C(=O)C1CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000967749360 1220781554 /nfs/dbraw/zinc/78/15/54/1220781554.db2.gz BMPWZDJYLJOPCB-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968308531 1221196938 /nfs/dbraw/zinc/19/69/38/1221196938.db2.gz OVYIPYLPFODRJP-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](CCCNc1ncnc2c1CCC2)NC(=O)c1ncccc1[O-] ZINC001114911472 1221240903 /nfs/dbraw/zinc/24/09/03/1221240903.db2.gz JZVRLQPXJGKTGJ-LBPRGKRZSA-N -1 1 341.415 2.077 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCCN2C/C=C/Cl)c1[O-] ZINC000968809444 1221587919 /nfs/dbraw/zinc/58/79/19/1221587919.db2.gz KGEUGDPCROSDCN-PZBABLGHSA-N -1 1 326.828 2.151 20 0 EEADMM CC1(CC(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3ncccc3[O-])C2)CC1 ZINC001007360004 1222190031 /nfs/dbraw/zinc/19/00/31/1222190031.db2.gz ZHSAFXSBDGDDIL-DJJJIMSYSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(N[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1)[C@H]1CC=CCC1 ZINC001010127537 1223564471 /nfs/dbraw/zinc/56/44/71/1223564471.db2.gz ASGYOXPXXLSLAH-GJZGRUSLSA-N -1 1 342.443 2.106 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)c2ccsc2)CN1C(=O)c1ncccc1[O-] ZINC001010128363 1223565092 /nfs/dbraw/zinc/56/50/92/1223565092.db2.gz TVGXXRFUFIOWRS-NWDGAFQWSA-N -1 1 345.424 2.129 20 0 EEADMM Cc1nc(Cl)cc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001067075433 1226496439 /nfs/dbraw/zinc/49/64/39/1226496439.db2.gz GIJIATMCAJHNFZ-KOLCDFICSA-N -1 1 347.806 2.112 20 0 EEADMM Cc1nc(C)c(C)c(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001067076774 1226546897 /nfs/dbraw/zinc/54/68/97/1226546897.db2.gz UTEVPRYEAAIGTO-IINYFYTJSA-N -1 1 341.415 2.075 20 0 EEADMM C/C(=C/C(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001017400674 1227390324 /nfs/dbraw/zinc/39/03/24/1227390324.db2.gz SRTKKBAQJXPGBW-QBFSEMIESA-N -1 1 341.411 2.032 20 0 EEADMM C[C@@H](C(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC001017400888 1227390370 /nfs/dbraw/zinc/39/03/70/1227390370.db2.gz YGBWRLXNSQMZCD-CYBMUJFWSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])s1 ZINC001017493898 1227466152 /nfs/dbraw/zinc/46/61/52/1227466152.db2.gz JJSGSBUZPNLAFG-BETUJISGSA-N -1 1 344.440 2.041 20 0 EEADMM Cc1cc(NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)nc(C)n1 ZINC001054676269 1248846479 /nfs/dbraw/zinc/84/64/79/1248846479.db2.gz AYSFLVRMORPGSR-BXUZGUMPSA-N -1 1 341.415 2.014 20 0 EEADMM O=C(N[C@H]1CCN(c2nc3cc(F)ccc3o2)C1)c1ncccc1[O-] ZINC001058343482 1248890024 /nfs/dbraw/zinc/89/00/24/1248890024.db2.gz AHZAYFPUMDNHAA-NSHDSACASA-N -1 1 342.330 2.076 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1c(F)cccc1F)c1ncccc1[O-] ZINC001038190665 1229683582 /nfs/dbraw/zinc/68/35/82/1229683582.db2.gz CGQDYRASXGFOPQ-LLVKDONJSA-N -1 1 333.338 2.070 20 0 EEADMM O=C(NC[C@@H]1CCN1CC[C@H]1CC1(Cl)Cl)c1ncccc1[O-] ZINC001038194157 1229683928 /nfs/dbraw/zinc/68/39/28/1229683928.db2.gz NYBCXYFOSMPZKD-QWRGUYRKSA-N -1 1 344.242 2.175 20 0 EEADMM O=C(NC[C@H]1CCN1CCc1ccc(F)c(F)c1)c1ncccc1[O-] ZINC001038193549 1229684513 /nfs/dbraw/zinc/68/45/13/1229684513.db2.gz KLHWLZMCOAYSLF-CYBMUJFWSA-N -1 1 347.365 2.112 20 0 EEADMM CCCC1(C(=O)N(C)CCCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001067254887 1229778538 /nfs/dbraw/zinc/77/85/38/1229778538.db2.gz RTNIHPQTXDIAGL-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM Cc1ccnc(NC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C)n1 ZINC001039864439 1230867523 /nfs/dbraw/zinc/86/75/23/1230867523.db2.gz KBFHECDLKQSAOX-JSGCOSHPSA-N -1 1 341.415 2.096 20 0 EEADMM Cc1nc(CN2CCC(C)(NC(=O)c3ncccc3[O-])CC2)c(C)o1 ZINC001045415171 1233731372 /nfs/dbraw/zinc/73/13/72/1233731372.db2.gz WXWFRUYNZDXMOY-UHFFFAOYSA-N -1 1 344.415 2.177 20 0 EEADMM Cc1nc2sccn2c1CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900927771 1235009269 /nfs/dbraw/zinc/00/92/69/1235009269.db2.gz RZNOZCOCDAWKHE-UHFFFAOYSA-N -1 1 343.412 2.349 20 0 EEADMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901032999 1235142289 /nfs/dbraw/zinc/14/22/89/1235142289.db2.gz GXMBFENOPWRFAM-IAQYHMDHSA-N -1 1 327.384 2.302 20 0 EEADMM Cn1cc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cn1 ZINC000801358491 1235455159 /nfs/dbraw/zinc/45/51/59/1235455159.db2.gz KRKZXROXFNEUSK-UHFFFAOYSA-N -1 1 332.747 2.322 20 0 EEADMM CCOC(=O)CCCOC(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000801369079 1235464300 /nfs/dbraw/zinc/46/43/00/1235464300.db2.gz UPLXWJRAMCXQDN-UHFFFAOYSA-N -1 1 348.355 2.087 20 0 EEADMM CC[C@H](C)NC(=O)COC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801430378 1235566190 /nfs/dbraw/zinc/56/61/90/1235566190.db2.gz TWVCJWKESXTAQG-NSHDSACASA-N -1 1 349.362 2.097 20 0 EEADMM CCn1ncc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1-c1ccccc1 ZINC000801700875 1236052042 /nfs/dbraw/zinc/05/20/42/1236052042.db2.gz SYPDMFBPRBLRHA-UHFFFAOYSA-N -1 1 346.394 2.478 20 0 EEADMM Cc1cc(C)c(CN(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000901626927 1236067454 /nfs/dbraw/zinc/06/74/54/1236067454.db2.gz HZUNRMGTWTZVCX-UHFFFAOYSA-N -1 1 332.444 2.367 20 0 EEADMM O=C([N-]OCC(F)(F)F)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000827035302 1249495205 /nfs/dbraw/zinc/49/52/05/1249495205.db2.gz OEKTYFGGIXRDAK-LLVKDONJSA-N -1 1 340.305 2.118 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)n[nH]2)c1 ZINC000902174278 1237168164 /nfs/dbraw/zinc/16/81/64/1237168164.db2.gz MJYYWDSNXZAHSP-BXUZGUMPSA-N -1 1 343.383 2.268 20 0 EEADMM CCc1oc(CNCCNC(=O)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000902204554 1237208560 /nfs/dbraw/zinc/20/85/60/1237208560.db2.gz VBELBQRUIKRNPD-UHFFFAOYSA-N -1 1 348.374 2.128 20 0 EEADMM O=C([O-])c1csc(CN[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000902329331 1237410266 /nfs/dbraw/zinc/41/02/66/1237410266.db2.gz AOCFGKUGIFPTAI-CQSZACIVSA-N -1 1 334.372 2.481 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CN(C/C(Cl)=C/Cl)C[C@H]2C1 ZINC001048780237 1238607380 /nfs/dbraw/zinc/60/73/80/1238607380.db2.gz FAFSEVDFMIOAMJ-YTWUSZSLSA-N -1 1 342.226 2.110 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056321436 1239191451 /nfs/dbraw/zinc/19/14/51/1239191451.db2.gz OVJRGYOWRNPHHH-RRFJBIMHSA-N -1 1 345.443 2.429 20 0 EEADMM CC1(C)CC[C@@H](COC(=O)c2sccc2[N-]S(C)(=O)=O)O1 ZINC000803290162 1240028397 /nfs/dbraw/zinc/02/83/97/1240028397.db2.gz XVZJZTZFDDMJGT-VIFPVBQESA-N -1 1 333.431 2.234 20 0 EEADMM O=C([O-])[C@@H]1CN(C[C@H]2CC[C@@H](C(F)(F)F)O2)C[C@H]1C(F)(F)F ZINC000903405786 1240400955 /nfs/dbraw/zinc/40/09/55/1240400955.db2.gz WKYJBFIKLYLEPL-BGZDPUMWSA-N -1 1 335.244 2.291 20 0 EEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000384130224 1249984598 /nfs/dbraw/zinc/98/45/98/1249984598.db2.gz KZUNTIZNGUDQIG-UHFFFAOYSA-N -1 1 339.229 2.027 20 0 EEADMM CC(C)c1cc(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)ncn1 ZINC001050206198 1243119201 /nfs/dbraw/zinc/11/92/01/1243119201.db2.gz JVYYZPONFIDUQF-OLZOCXBDSA-N -1 1 341.415 2.098 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001050335702 1243371754 /nfs/dbraw/zinc/37/17/54/1243371754.db2.gz TVGQKJVHWWXSDZ-LUIPGBGBSA-N -1 1 345.443 2.356 20 0 EEADMM CC(C)=C(F)C(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050530681 1243792137 /nfs/dbraw/zinc/79/21/37/1243792137.db2.gz OOLBHGIHXQGXCW-NEPJUHHUSA-N -1 1 335.379 2.017 20 0 EEADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050531947 1243794937 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EEADMM Cc1nn(CCc2c(F)cccc2Cl)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459615 1351985415 /nfs/dbraw/zinc/98/54/15/1351985415.db2.gz PBIHHNOQWCLEOA-UHFFFAOYSA-N -1 1 348.769 2.075 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609472396 1351989914 /nfs/dbraw/zinc/98/99/14/1351989914.db2.gz FRGDMLQKAVZIMB-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609472396 1351989918 /nfs/dbraw/zinc/98/99/18/1351989918.db2.gz FRGDMLQKAVZIMB-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM FC(F)(F)C1CCC(COc2cnc(-c3nn[n-]n3)nc2)CC1 ZINC001609483884 1351994088 /nfs/dbraw/zinc/99/40/88/1351994088.db2.gz ZRRXGYYIFQKEQP-UHFFFAOYSA-N -1 1 328.298 2.404 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001609583039 1352026746 /nfs/dbraw/zinc/02/67/46/1352026746.db2.gz OFCUTRGZERSPKV-HNNXBMFYSA-N -1 1 348.410 2.357 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001609583039 1352026751 /nfs/dbraw/zinc/02/67/51/1352026751.db2.gz OFCUTRGZERSPKV-HNNXBMFYSA-N -1 1 348.410 2.357 20 0 EEADMM O=C1CCCN1c1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609588292 1352028431 /nfs/dbraw/zinc/02/84/31/1352028431.db2.gz BVLNOWYIUTZIGO-UHFFFAOYSA-N -1 1 342.384 2.029 20 0 EEADMM O=C1CCCN1c1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609588292 1352028432 /nfs/dbraw/zinc/02/84/32/1352028432.db2.gz BVLNOWYIUTZIGO-UHFFFAOYSA-N -1 1 342.384 2.029 20 0 EEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001609596858 1352029787 /nfs/dbraw/zinc/02/97/87/1352029787.db2.gz OFCVJRJZQQUWFQ-UHFFFAOYSA-N -1 1 348.409 2.185 20 0 EEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001609596858 1352029789 /nfs/dbraw/zinc/02/97/89/1352029789.db2.gz OFCVJRJZQQUWFQ-UHFFFAOYSA-N -1 1 348.409 2.185 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1c(F)cccc1F)CCC2 ZINC001609604302 1352032576 /nfs/dbraw/zinc/03/25/76/1352032576.db2.gz FWXVAHHYCXIWTI-UHFFFAOYSA-N -1 1 343.337 2.038 20 0 EEADMM O[C@@H]1C[C@H](c2ccccc2)N(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001609607570 1352034924 /nfs/dbraw/zinc/03/49/24/1352034924.db2.gz HENOYANZISDUNA-NXEZZACHSA-N -1 1 348.819 2.289 20 0 EEADMM O[C@@H]1C[C@H](c2ccccc2)N(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001609607570 1352034929 /nfs/dbraw/zinc/03/49/29/1352034929.db2.gz HENOYANZISDUNA-NXEZZACHSA-N -1 1 348.819 2.289 20 0 EEADMM c1csc([C@@H]2CSCCN2Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609614048 1352038659 /nfs/dbraw/zinc/03/86/59/1352038659.db2.gz TZPNYZVAWRTQTL-LBPRGKRZSA-N -1 1 345.457 2.008 20 0 EEADMM c1csc([C@@H]2CSCCN2Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609614048 1352038661 /nfs/dbraw/zinc/03/86/61/1352038661.db2.gz TZPNYZVAWRTQTL-LBPRGKRZSA-N -1 1 345.457 2.008 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1ncncc1-c1nn[n-]n1)CS2 ZINC001609618408 1352041754 /nfs/dbraw/zinc/04/17/54/1352041754.db2.gz FJAPVXXLNLPRCA-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM C[C@]1(C(N)=O)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001609812342 1352091767 /nfs/dbraw/zinc/09/17/67/1352091767.db2.gz DKPILXAKZFCHOE-KRWDZBQOSA-N -1 1 345.424 2.206 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001339725378 1337061362 /nfs/dbraw/zinc/06/13/62/1337061362.db2.gz XTMFGXJLUXEGRA-NSHDSACASA-N -1 1 340.387 2.181 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001609940719 1352124876 /nfs/dbraw/zinc/12/48/76/1352124876.db2.gz QUACIUJGMIJBHA-GOEBONIOSA-N -1 1 340.464 2.122 20 0 EEADMM CC[C@H](C)N(CC)c1nnc(Cc2nnn[n-]2)n1Cc1cccs1 ZINC001344654803 1337407633 /nfs/dbraw/zinc/40/76/33/1337407633.db2.gz OEIOLDVGCFGSOL-NSHDSACASA-N -1 1 346.464 2.117 20 0 EEADMM CC[C@H](C)N(CC)c1nnc(Cc2nn[n-]n2)n1Cc1cccs1 ZINC001344654803 1337407635 /nfs/dbraw/zinc/40/76/35/1337407635.db2.gz OEIOLDVGCFGSOL-NSHDSACASA-N -1 1 346.464 2.117 20 0 EEADMM O=C([O-])CSCCNCc1cc(Br)cnc1Cl ZINC001346005701 1337478124 /nfs/dbraw/zinc/47/81/24/1337478124.db2.gz WQPAYHHTLWAGEH-UHFFFAOYSA-N -1 1 339.642 2.405 20 0 EEADMM CCN1C[C@H](CN(C)Cc2cccc(C(=O)[O-])n2)Oc2ccccc21 ZINC001610004106 1352138760 /nfs/dbraw/zinc/13/87/60/1352138760.db2.gz CDRIJFUTXMYMTC-HNNXBMFYSA-N -1 1 341.411 2.499 20 0 EEADMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001610017238 1352141877 /nfs/dbraw/zinc/14/18/77/1352141877.db2.gz HRMGMLXDQYCARX-OLZOCXBDSA-N -1 1 339.363 2.066 20 0 EEADMM CCOC(CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C)OCC ZINC001610026723 1352144331 /nfs/dbraw/zinc/14/43/31/1352144331.db2.gz NDQHBYGLEVNFQF-CQSZACIVSA-N -1 1 336.432 2.294 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)N(C)[C@@H](C)CC(C)C)C(=O)[O-])C1 ZINC001610234477 1352191839 /nfs/dbraw/zinc/19/18/39/1352191839.db2.gz KDDVXRKEAHUFOQ-LJIGWXMPSA-N -1 1 342.480 2.127 20 0 EEADMM COc1ccc([C@@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001610329276 1352206605 /nfs/dbraw/zinc/20/66/05/1352206605.db2.gz SOVJKQYTVHOEKP-NVXWUHKLSA-N -1 1 348.443 2.100 20 0 EEADMM COc1ccc([C@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001610329275 1352206655 /nfs/dbraw/zinc/20/66/55/1352206655.db2.gz SOVJKQYTVHOEKP-DOTOQJQBSA-N -1 1 348.443 2.100 20 0 EEADMM CC(C)[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)C1(CO)CCCC1 ZINC000848248276 1338609975 /nfs/dbraw/zinc/60/99/75/1338609975.db2.gz DSAMVLAYZBOLDX-CQSZACIVSA-N -1 1 348.472 2.325 20 0 EEADMM Cc1cc(CN2CCC(CC(=O)N3CCCC3)CC2)[nH]c1C(=O)[O-] ZINC001610461929 1352226572 /nfs/dbraw/zinc/22/65/72/1352226572.db2.gz PJFIAZDKLYTHFZ-UHFFFAOYSA-N -1 1 333.432 2.246 20 0 EEADMM Cc1ccccc1[C@H](N)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001610477424 1352229598 /nfs/dbraw/zinc/22/95/98/1352229598.db2.gz VVGNXYCYNMXWFE-KRWDZBQOSA-N -1 1 328.368 2.405 20 0 EEADMM COCCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@H]1C ZINC001358404453 1339043384 /nfs/dbraw/zinc/04/33/84/1339043384.db2.gz PEZYTQJNHFGUJH-SNVBAGLBSA-N -1 1 337.811 2.334 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001610526840 1352238810 /nfs/dbraw/zinc/23/88/10/1352238810.db2.gz AOZUDAULCJQXHX-WMLDXEAASA-N -1 1 345.443 2.173 20 0 EEADMM Cc1cncc(CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1 ZINC001610541007 1352241607 /nfs/dbraw/zinc/24/16/07/1352241607.db2.gz XBPXIFABYKXZAK-OAHLLOKOSA-N -1 1 349.431 2.286 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001610588051 1352250038 /nfs/dbraw/zinc/25/00/38/1352250038.db2.gz KZFSCRHONMUECE-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(N2CCCC2)nc1)c1cccc(O)c1 ZINC001610720318 1352264702 /nfs/dbraw/zinc/26/47/02/1352264702.db2.gz JLYHVMVULFXWBF-KRWDZBQOSA-N -1 1 327.384 2.303 20 0 EEADMM O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610766244 1352270959 /nfs/dbraw/zinc/27/09/59/1352270959.db2.gz FFUKNINDTBTYHA-CQSZACIVSA-N -1 1 334.372 2.043 20 0 EEADMM CCc1occc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428566358 1339572387 /nfs/dbraw/zinc/57/23/87/1339572387.db2.gz HYTHWOGFWWILFH-NWDGAFQWSA-N -1 1 345.399 2.270 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)CC1CCCC1 ZINC001430075216 1340114596 /nfs/dbraw/zinc/11/45/96/1340114596.db2.gz QGCTYRNPSPJPTJ-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM CCCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001431126875 1340465059 /nfs/dbraw/zinc/46/50/59/1340465059.db2.gz SHEGPEMXLSECAB-AWEZNQCLSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)[C@@H](F)CC1CCCCC1 ZINC001432303203 1341256138 /nfs/dbraw/zinc/25/61/38/1341256138.db2.gz ZWELIVXNIRWBDI-AWEZNQCLSA-N -1 1 349.406 2.036 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1CCCCCC1 ZINC001432965533 1341447666 /nfs/dbraw/zinc/44/76/66/1341447666.db2.gz ZFELOCZVTVBHJK-CYBMUJFWSA-N -1 1 333.432 2.240 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(C(F)F)[nH]n1 ZINC001433846723 1341705189 /nfs/dbraw/zinc/70/51/89/1341705189.db2.gz JPLXJENLMHFRNY-UHFFFAOYSA-N -1 1 348.306 2.110 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cccc(-n2cncn2)c1 ZINC001565853123 1342569671 /nfs/dbraw/zinc/56/96/71/1342569671.db2.gz JEBPRHJOVSTNLL-UHFFFAOYSA-N -1 1 342.786 2.485 20 0 EEADMM CC(C)(C(=O)Nc1ccc(Br)c([O-])c1)n1ccc(N)n1 ZINC001575097333 1343733042 /nfs/dbraw/zinc/73/30/42/1343733042.db2.gz VKXSLQXAAUMAPF-UHFFFAOYSA-N -1 1 339.193 2.307 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576398866 1344009611 /nfs/dbraw/zinc/00/96/11/1344009611.db2.gz QHXMCVXFFKNMMQ-VKJYCEFSSA-N -1 1 347.448 2.001 20 0 EEADMM CCC(CC)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576718098 1344051106 /nfs/dbraw/zinc/05/11/06/1344051106.db2.gz KUCFRRINVVODMU-UHFFFAOYSA-N -1 1 348.476 2.007 20 0 EEADMM CN[C@@H](C(=O)[N-]O[C@H](CO)C(C)C)c1cccc(Cl)c1Cl ZINC001578567338 1344288663 /nfs/dbraw/zinc/28/86/63/1344288663.db2.gz AVNZWNUGCWXKDO-DGCLKSJQSA-N -1 1 335.231 2.319 20 0 EEADMM COc1ccc2c(c1)[C@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CCC2 ZINC001580051822 1344460114 /nfs/dbraw/zinc/46/01/14/1344460114.db2.gz SJZJWPPSVCAXRW-CQSZACIVSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc2c(c1)[C@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCC2 ZINC001580051822 1344460118 /nfs/dbraw/zinc/46/01/18/1344460118.db2.gz SJZJWPPSVCAXRW-CQSZACIVSA-N -1 1 339.355 2.276 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CCC(C(C)C)CC1 ZINC001580603636 1344542048 /nfs/dbraw/zinc/54/20/48/1344542048.db2.gz VTVKXHUVEKSWAZ-UHFFFAOYSA-N -1 1 344.419 2.220 20 0 EEADMM O=C(NCCCCNOCc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC001580682916 1344550488 /nfs/dbraw/zinc/55/04/88/1344550488.db2.gz ADDGHHYEYDIMQO-UHFFFAOYSA-N -1 1 342.395 2.193 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581715636 1344658049 /nfs/dbraw/zinc/65/80/49/1344658049.db2.gz QWOMFBBVAYPFAQ-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM Fc1cc(Oc2ncncc2-c2nnn[n-]2)ccc1Br ZINC001581853013 1344676885 /nfs/dbraw/zinc/67/68/85/1344676885.db2.gz CPMJDZVWZQJIKL-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Oc2ncncc2-c2nn[n-]n2)ccc1Br ZINC001581853013 1344676890 /nfs/dbraw/zinc/67/68/90/1344676890.db2.gz CPMJDZVWZQJIKL-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001582548875 1344760835 /nfs/dbraw/zinc/76/08/35/1344760835.db2.gz YKJPAGWSPLNEJJ-QNSHHTMESA-N -1 1 339.371 2.226 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@@H]1CCC3(CCCC3)O1)CCC2 ZINC001582806564 1344794379 /nfs/dbraw/zinc/79/43/79/1344794379.db2.gz OEPCSUONRYLFPC-ZDUSSCGKSA-N -1 1 341.415 2.009 20 0 EEADMM Cc1nc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)nc2ccccc12 ZINC001584433656 1348737020 /nfs/dbraw/zinc/73/70/20/1348737020.db2.gz YYRIMEBISWROII-UHFFFAOYSA-N -1 1 335.367 2.241 20 0 EEADMM O=C(NCc1nn[n-]n1)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001584968075 1348773500 /nfs/dbraw/zinc/77/35/00/1348773500.db2.gz QHAONPKXWITSLI-OAHLLOKOSA-N -1 1 327.775 2.301 20 0 EEADMM CN(C(=O)c1cc(F)c(OCc2ccccc2)c(F)c1)c1nn[n-]n1 ZINC001587339359 1348860418 /nfs/dbraw/zinc/86/04/18/1348860418.db2.gz DVOXSRFBVFCBMW-UHFFFAOYSA-N -1 1 345.309 2.334 20 0 EEADMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccco1 ZINC001588769391 1348933439 /nfs/dbraw/zinc/93/34/39/1348933439.db2.gz USPMBXLTUOPEDI-NTMALXAHSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccco1 ZINC001588769391 1348933443 /nfs/dbraw/zinc/93/34/43/1348933443.db2.gz USPMBXLTUOPEDI-NTMALXAHSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001588791997 1348937619 /nfs/dbraw/zinc/93/76/19/1348937619.db2.gz NUYLDLMYEFDMJT-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001588791997 1348937621 /nfs/dbraw/zinc/93/76/21/1348937621.db2.gz NUYLDLMYEFDMJT-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(C)(C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCCO1 ZINC001589058137 1348955528 /nfs/dbraw/zinc/95/55/28/1348955528.db2.gz KKBBWIGQFMDUCJ-ZDUSSCGKSA-N -1 1 331.376 2.106 20 0 EEADMM CC(C)(C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589208491 1348970612 /nfs/dbraw/zinc/97/06/12/1348970612.db2.gz GGIWQYINESLFKP-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)(C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589208491 1348970613 /nfs/dbraw/zinc/97/06/13/1348970613.db2.gz GGIWQYINESLFKP-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM C[C@@H](O)CCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC001589998674 1349100723 /nfs/dbraw/zinc/10/07/23/1349100723.db2.gz LLQUSMKBDCNBEU-LLVKDONJSA-N -1 1 326.360 2.237 20 0 EEADMM CC1(C)C[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001590082595 1349143682 /nfs/dbraw/zinc/14/36/82/1349143682.db2.gz IITIHWMAKUYTCM-JTQLQIEISA-N -1 1 333.421 2.057 20 0 EEADMM CC1(C)C[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001590082595 1349143686 /nfs/dbraw/zinc/14/36/86/1349143686.db2.gz IITIHWMAKUYTCM-JTQLQIEISA-N -1 1 333.421 2.057 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]1[C@@H]1CCCO1 ZINC001590109428 1349160238 /nfs/dbraw/zinc/16/02/38/1349160238.db2.gz XNLDCTWLOFNYGG-CBAPKCEASA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1[C@@H]1CCCO1 ZINC001590109428 1349160241 /nfs/dbraw/zinc/16/02/41/1349160241.db2.gz XNLDCTWLOFNYGG-CBAPKCEASA-N -1 1 340.840 2.370 20 0 EEADMM CC1(Cc2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)CCCC1 ZINC001590141215 1349173029 /nfs/dbraw/zinc/17/30/29/1349173029.db2.gz DKBOZRPPBQCMKU-UHFFFAOYSA-N -1 1 325.376 2.358 20 0 EEADMM CC1(Cc2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)CCCC1 ZINC001590141215 1349173037 /nfs/dbraw/zinc/17/30/37/1349173037.db2.gz DKBOZRPPBQCMKU-UHFFFAOYSA-N -1 1 325.376 2.358 20 0 EEADMM C[C@]1(O)CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001590150681 1349176391 /nfs/dbraw/zinc/17/63/91/1349176391.db2.gz LMBLZVUJBCUPMA-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@]1(O)CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001590150681 1349176398 /nfs/dbraw/zinc/17/63/98/1349176398.db2.gz LMBLZVUJBCUPMA-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590181399 1349185884 /nfs/dbraw/zinc/18/58/84/1349185884.db2.gz PKMXJDFOGZJODD-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590181399 1349185893 /nfs/dbraw/zinc/18/58/93/1349185893.db2.gz PKMXJDFOGZJODD-DOMZBBRYSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590191631 1349193522 /nfs/dbraw/zinc/19/35/22/1349193522.db2.gz RLXGXCHGRWYXJP-QWRGUYRKSA-N -1 1 331.424 2.391 20 0 EEADMM C[C@H]1C[C@@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590191631 1349193528 /nfs/dbraw/zinc/19/35/28/1349193528.db2.gz RLXGXCHGRWYXJP-QWRGUYRKSA-N -1 1 331.424 2.391 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590225407 1349211479 /nfs/dbraw/zinc/21/14/79/1349211479.db2.gz DMTDZRYWXWXYDI-NTZNESFSSA-N -1 1 347.423 2.006 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590225407 1349211485 /nfs/dbraw/zinc/21/14/85/1349211485.db2.gz DMTDZRYWXWXYDI-NTZNESFSSA-N -1 1 347.423 2.006 20 0 EEADMM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590245738 1349223336 /nfs/dbraw/zinc/22/33/36/1349223336.db2.gz ZETHTAQXUWGSNA-ZJUUUORDSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@H](N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590245738 1349223346 /nfs/dbraw/zinc/22/33/46/1349223346.db2.gz ZETHTAQXUWGSNA-ZJUUUORDSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCC[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590245058 1349223825 /nfs/dbraw/zinc/22/38/25/1349223825.db2.gz SEQABGIETLFZKN-UWVGGRQHSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1CCC[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590245058 1349223829 /nfs/dbraw/zinc/22/38/29/1349223829.db2.gz SEQABGIETLFZKN-UWVGGRQHSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3coc(-c4nnn[n-]4)c3)sc2C1 ZINC001590279561 1349244285 /nfs/dbraw/zinc/24/42/85/1349244285.db2.gz FJCHUGSLSRNCRZ-ZETCQYMHSA-N -1 1 330.373 2.293 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3coc(-c4nn[n-]n4)c3)sc2C1 ZINC001590279561 1349244294 /nfs/dbraw/zinc/24/42/94/1349244294.db2.gz FJCHUGSLSRNCRZ-ZETCQYMHSA-N -1 1 330.373 2.293 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@@H](C)C1(F)F ZINC001590314405 1349259824 /nfs/dbraw/zinc/25/98/24/1349259824.db2.gz QRUKMERZAGZVIT-RKDXNWHRSA-N -1 1 335.362 2.262 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@@H](C)C1(F)F ZINC001590314405 1349259827 /nfs/dbraw/zinc/25/98/27/1349259827.db2.gz QRUKMERZAGZVIT-RKDXNWHRSA-N -1 1 335.362 2.262 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001590349035 1349278432 /nfs/dbraw/zinc/27/84/32/1349278432.db2.gz URYZFMULMWUGHF-VCFDLTMXSA-N -1 1 347.448 2.001 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590356352 1349281791 /nfs/dbraw/zinc/28/17/91/1349281791.db2.gz YQJPBOCJZPGVES-DLGQBQFBSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590356352 1349281796 /nfs/dbraw/zinc/28/17/96/1349281796.db2.gz YQJPBOCJZPGVES-DLGQBQFBSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@H](C)c1ccc(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001590415815 1349314054 /nfs/dbraw/zinc/31/40/54/1349314054.db2.gz MQLCHOIYDMLUJT-LBPRGKRZSA-N -1 1 337.383 2.425 20 0 EEADMM CC[C@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1cccc(F)c1 ZINC001590445734 1349326544 /nfs/dbraw/zinc/32/65/44/1349326544.db2.gz JNURUMLVNKZUHO-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1cccc(F)c1 ZINC001590445734 1349326549 /nfs/dbraw/zinc/32/65/49/1349326549.db2.gz JNURUMLVNKZUHO-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC001590460100 1349336812 /nfs/dbraw/zinc/33/68/12/1349336812.db2.gz VYUGDRJNZQKGKD-GFCCVEGCSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC001590460100 1349336818 /nfs/dbraw/zinc/33/68/18/1349336818.db2.gz VYUGDRJNZQKGKD-GFCCVEGCSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@H]1C[C@@H](C)CN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502520 1349357093 /nfs/dbraw/zinc/35/70/93/1349357093.db2.gz BMRWILINCLFNLZ-PWSUYJOCSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@H]1C[C@@H](C)CN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502520 1349357096 /nfs/dbraw/zinc/35/70/96/1349357096.db2.gz BMRWILINCLFNLZ-PWSUYJOCSA-N -1 1 342.407 2.363 20 0 EEADMM CCCCc1nnc([N-]C(=O)c2sccc2-c2nn[nH]n2)s1 ZINC001590614684 1349376572 /nfs/dbraw/zinc/37/65/72/1349376572.db2.gz PQRGZPVMDDPTDE-UHFFFAOYSA-N -1 1 335.418 2.375 20 0 EEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590849731 1349405616 /nfs/dbraw/zinc/40/56/16/1349405616.db2.gz BPOIISFNYFOBCP-GXSJLCMTSA-N -1 1 333.421 2.057 20 0 EEADMM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590849731 1349405626 /nfs/dbraw/zinc/40/56/26/1349405626.db2.gz BPOIISFNYFOBCP-GXSJLCMTSA-N -1 1 333.421 2.057 20 0 EEADMM CN(C(=O)c1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993407 1349428303 /nfs/dbraw/zinc/42/83/03/1349428303.db2.gz CBDJZVFLUFTRLT-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1Cl ZINC001590992688 1349428892 /nfs/dbraw/zinc/42/88/92/1349428892.db2.gz TXTYJZBJZLVOLN-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1Cl ZINC001590992688 1349428894 /nfs/dbraw/zinc/42/88/94/1349428894.db2.gz TXTYJZBJZLVOLN-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM COC(=O)c1cccc(Cl)c1COc1cccnc1-c1nnn[n-]1 ZINC001591302383 1349458293 /nfs/dbraw/zinc/45/82/93/1349458293.db2.gz JHMOQJBMLFUPTN-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COC(=O)c1cccc(Cl)c1COc1cccnc1-c1nn[n-]n1 ZINC001591302383 1349458300 /nfs/dbraw/zinc/45/83/00/1349458300.db2.gz JHMOQJBMLFUPTN-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CO[C@H](C)c1nc(CNc2nc(-c3nn[n-]n3)ccc2C)cs1 ZINC001591325728 1349462208 /nfs/dbraw/zinc/46/22/08/1349462208.db2.gz VZDKZOKGFFNISC-SECBINFHSA-N -1 1 331.405 2.346 20 0 EEADMM COC[C@H]1CCCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001591391919 1349479166 /nfs/dbraw/zinc/47/91/66/1349479166.db2.gz AFOLJUHKXNWPTE-QMMMGPOBSA-N -1 1 328.829 2.230 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591604840 1349512976 /nfs/dbraw/zinc/51/29/76/1349512976.db2.gz KHFFMUDOFMUWAU-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591604840 1349512985 /nfs/dbraw/zinc/51/29/85/1349512985.db2.gz KHFFMUDOFMUWAU-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM Cc1cncc(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1 ZINC001592300338 1349618803 /nfs/dbraw/zinc/61/88/03/1349618803.db2.gz STEYQGYCVXJGID-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H](C)CC(C)(C)C)c1-c1nnn[n-]1 ZINC001592516736 1349644542 /nfs/dbraw/zinc/64/45/42/1349644542.db2.gz DPQIYYCVXZENOT-SNVBAGLBSA-N -1 1 334.424 2.284 20 0 EEADMM Cc1onc(CC(=O)NCC[C@@H](C)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001592516736 1349644546 /nfs/dbraw/zinc/64/45/46/1349644546.db2.gz DPQIYYCVXZENOT-SNVBAGLBSA-N -1 1 334.424 2.284 20 0 EEADMM Clc1ccc(N[C@H](c2ncccn2)C2CC2)nc1-c1nnn[n-]1 ZINC001592531949 1349649155 /nfs/dbraw/zinc/64/91/55/1349649155.db2.gz BTMKLFANLUGXSS-NSHDSACASA-N -1 1 328.767 2.268 20 0 EEADMM Clc1ccc(N[C@H](c2ncccn2)C2CC2)nc1-c1nn[n-]n1 ZINC001592531949 1349649159 /nfs/dbraw/zinc/64/91/59/1349649159.db2.gz BTMKLFANLUGXSS-NSHDSACASA-N -1 1 328.767 2.268 20 0 EEADMM Clc1ccc(NCc2noc3c2CCCC3)nc1-c1nnn[n-]1 ZINC001592532233 1349649176 /nfs/dbraw/zinc/64/91/76/1349649176.db2.gz QQIZPDIUIRTVEU-UHFFFAOYSA-N -1 1 331.767 2.394 20 0 EEADMM Clc1ccc(NCc2noc3c2CCCC3)nc1-c1nn[n-]n1 ZINC001592532233 1349649177 /nfs/dbraw/zinc/64/91/77/1349649177.db2.gz QQIZPDIUIRTVEU-UHFFFAOYSA-N -1 1 331.767 2.394 20 0 EEADMM Clc1cccc([C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534531 1349650390 /nfs/dbraw/zinc/65/03/90/1349650390.db2.gz DBZPZRUVXXUBEJ-UMSPYCQHSA-N -1 1 327.779 2.090 20 0 EEADMM Clc1cccc2c1OCC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592536204 1349651436 /nfs/dbraw/zinc/65/14/36/1349651436.db2.gz RZWREOPYZIHLLF-JTQLQIEISA-N -1 1 329.751 2.246 20 0 EEADMM Clc1cccc2c1OCC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592536204 1349651439 /nfs/dbraw/zinc/65/14/39/1349651439.db2.gz RZWREOPYZIHLLF-JTQLQIEISA-N -1 1 329.751 2.246 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc3ccccc23)n1 ZINC001592560296 1349657600 /nfs/dbraw/zinc/65/76/00/1349657600.db2.gz YQWOUVYXYZZLLV-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2csc3ccccc23)n1 ZINC001592560296 1349657602 /nfs/dbraw/zinc/65/76/02/1349657602.db2.gz YQWOUVYXYZZLLV-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001592613928 1349670557 /nfs/dbraw/zinc/67/05/57/1349670557.db2.gz OUWQMSGPIKRAAV-BDAKNGLRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)Cn1cc(NCc2csc(-c3nn[n-]n3)c2)cn1 ZINC001592615507 1349672563 /nfs/dbraw/zinc/67/25/63/1349672563.db2.gz AVAPNFBHPFHRGI-UHFFFAOYSA-N -1 1 329.311 2.299 20 0 EEADMM FC(F)(F)c1ncc(-c2nc(CC3CC3)no2)cc1-c1nn[n-]n1 ZINC001592622705 1349677094 /nfs/dbraw/zinc/67/70/94/1349677094.db2.gz TUEFCOMVZXQPHT-UHFFFAOYSA-N -1 1 337.265 2.283 20 0 EEADMM FC(F)OCCCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592623989 1349677496 /nfs/dbraw/zinc/67/74/96/1349677496.db2.gz VAXQRCXOALMBCE-UHFFFAOYSA-N -1 1 338.240 2.322 20 0 EEADMM FC(F)OCCCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592623989 1349677500 /nfs/dbraw/zinc/67/75/00/1349677500.db2.gz VAXQRCXOALMBCE-UHFFFAOYSA-N -1 1 338.240 2.322 20 0 EEADMM O=C(CC[C@@H]1CCc2ccccc21)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592834529 1349716904 /nfs/dbraw/zinc/71/69/04/1349716904.db2.gz XTVXYVXVNYATHH-HNNXBMFYSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(CC[C@@H]1CCc2ccccc21)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592834529 1349716909 /nfs/dbraw/zinc/71/69/09/1349716909.db2.gz XTVXYVXVNYATHH-HNNXBMFYSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001592965692 1349730872 /nfs/dbraw/zinc/73/08/72/1349730872.db2.gz KFJFGMWUDXCEHG-DOMZBBRYSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001592965692 1349730873 /nfs/dbraw/zinc/73/08/73/1349730873.db2.gz KFJFGMWUDXCEHG-DOMZBBRYSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NCc1cccc(OC2CC2)c1F)c1coc(-c2nnn[n-]2)c1 ZINC001593144517 1349741963 /nfs/dbraw/zinc/74/19/63/1349741963.db2.gz LGSWVQNFKVFIBM-UHFFFAOYSA-N -1 1 343.318 2.070 20 0 EEADMM O=C(NCc1cccc(OC2CC2)c1F)c1coc(-c2nn[n-]n2)c1 ZINC001593144517 1349741968 /nfs/dbraw/zinc/74/19/68/1349741968.db2.gz LGSWVQNFKVFIBM-UHFFFAOYSA-N -1 1 343.318 2.070 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc2cnccc21 ZINC001593195407 1349745073 /nfs/dbraw/zinc/74/50/73/1349745073.db2.gz CKRTZQVEQBBIQY-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCCC2(CCCC2)C1 ZINC001593244124 1349748426 /nfs/dbraw/zinc/74/84/26/1349748426.db2.gz MFDBMDPPRTWBSE-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCCC2(CCCC2)C1 ZINC001593244124 1349748427 /nfs/dbraw/zinc/74/84/27/1349748427.db2.gz MFDBMDPPRTWBSE-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C1CCCC1 ZINC001593243550 1349748606 /nfs/dbraw/zinc/74/86/06/1349748606.db2.gz GMIWONUPJKODRE-CYBMUJFWSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CCCC1 ZINC001593243550 1349748609 /nfs/dbraw/zinc/74/86/09/1349748609.db2.gz GMIWONUPJKODRE-CYBMUJFWSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001593267447 1349755615 /nfs/dbraw/zinc/75/56/15/1349755615.db2.gz FOQXXJBAGFHNGI-RITPCOANSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001593267447 1349755621 /nfs/dbraw/zinc/75/56/21/1349755621.db2.gz FOQXXJBAGFHNGI-RITPCOANSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CCc2ccccc2CC1 ZINC001593267805 1349756251 /nfs/dbraw/zinc/75/62/51/1349756251.db2.gz JWGUIVFDMFCSSA-UHFFFAOYSA-N -1 1 340.412 2.457 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CCc2ccccc2CC1 ZINC001593267805 1349756257 /nfs/dbraw/zinc/75/62/57/1349756257.db2.gz JWGUIVFDMFCSSA-UHFFFAOYSA-N -1 1 340.412 2.457 20 0 EEADMM O=C(OCc1ccc2ccccc2n1)c1cccc(-c2nnn[n-]2)n1 ZINC001593299703 1349773111 /nfs/dbraw/zinc/77/31/11/1349773111.db2.gz HTVIAIYSNKQWJS-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)n1 ZINC001593299703 1349773115 /nfs/dbraw/zinc/77/31/15/1349773115.db2.gz HTVIAIYSNKQWJS-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCCc2occc2C1 ZINC001593335091 1349782745 /nfs/dbraw/zinc/78/27/45/1349782745.db2.gz IHYIQEQMORBCAZ-UHFFFAOYSA-N -1 1 344.762 2.097 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC2(CCCCC2)CC1 ZINC001593348835 1349788048 /nfs/dbraw/zinc/78/80/48/1349788048.db2.gz RHOJCSWGGJUMGK-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC2(CCCCC2)CC1 ZINC001593348835 1349788051 /nfs/dbraw/zinc/78/80/51/1349788051.db2.gz RHOJCSWGGJUMGK-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593368181 1349791995 /nfs/dbraw/zinc/79/19/95/1349791995.db2.gz VDENFXAQOHAMCA-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC001593368181 1349791999 /nfs/dbraw/zinc/79/19/99/1349791999.db2.gz VDENFXAQOHAMCA-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001593371914 1349792634 /nfs/dbraw/zinc/79/26/34/1349792634.db2.gz WNWYJIMZXMEGSX-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C1CCCN1c1ccc(NCc2csc(-c3nn[n-]n3)c2)nc1 ZINC001593394712 1349796686 /nfs/dbraw/zinc/79/66/86/1349796686.db2.gz ORYUWKNMKRTQFH-UHFFFAOYSA-N -1 1 341.400 2.062 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1CCc1ccccc1 ZINC001593490620 1349817134 /nfs/dbraw/zinc/81/71/34/1349817134.db2.gz KWPDTKNLJJICPW-UHFFFAOYSA-N -1 1 346.188 2.034 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccns2)c2ccc(Cl)cc12 ZINC001593494243 1349819496 /nfs/dbraw/zinc/81/94/96/1349819496.db2.gz LTALAPPCROWUEZ-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593495008 1349819575 /nfs/dbraw/zinc/81/95/75/1349819575.db2.gz VSFVSQKYXIBXSG-HBNTYKKESA-N -1 1 325.397 2.455 20 0 EEADMM Oc1ccc2c(c1)C1(CC1)CN(Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001593539734 1349835721 /nfs/dbraw/zinc/83/57/21/1349835721.db2.gz CRRLBYFFTRVHLJ-UHFFFAOYSA-N -1 1 340.412 2.076 20 0 EEADMM Oc1ccc2c(c1)C1(CC1)CN(Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001593539734 1349835726 /nfs/dbraw/zinc/83/57/26/1349835726.db2.gz CRRLBYFFTRVHLJ-UHFFFAOYSA-N -1 1 340.412 2.076 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593570803 1349855289 /nfs/dbraw/zinc/85/52/89/1349855289.db2.gz LHLSARWKKGYMEA-JSGCOSHPSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593570803 1349855292 /nfs/dbraw/zinc/85/52/92/1349855292.db2.gz LHLSARWKKGYMEA-JSGCOSHPSA-N -1 1 337.387 2.237 20 0 EEADMM c1cn(C2CCOCC2)nc1NCc1csc(-c2nn[n-]n2)c1 ZINC001593596208 1349870393 /nfs/dbraw/zinc/87/03/93/1349870393.db2.gz PVCSYZPIUWPGFR-UHFFFAOYSA-N -1 1 331.405 2.088 20 0 EEADMM c1nc(C2CCC2)sc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001593595414 1349870501 /nfs/dbraw/zinc/87/05/01/1349870501.db2.gz REFDJRRTXSEIAI-UHFFFAOYSA-N -1 1 333.446 2.337 20 0 EEADMM c1nc(C2CCC2)sc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001593595414 1349870505 /nfs/dbraw/zinc/87/05/05/1349870505.db2.gz REFDJRRTXSEIAI-UHFFFAOYSA-N -1 1 333.446 2.337 20 0 EEADMM Cc1c(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cnn1C ZINC001600010424 1349954593 /nfs/dbraw/zinc/95/45/93/1349954593.db2.gz IKJSDAGWDVXWAW-UHFFFAOYSA-N -1 1 334.445 2.338 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC001600158011 1349982382 /nfs/dbraw/zinc/98/23/82/1349982382.db2.gz VDXQOLOBHZMWKD-NSHDSACASA-N -1 1 328.372 2.404 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])n[nH]1 ZINC001600189558 1349988645 /nfs/dbraw/zinc/98/86/45/1349988645.db2.gz RYBGOFBNUYAHGY-JTQLQIEISA-N -1 1 340.383 2.188 20 0 EEADMM Cc1cc(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC001600195348 1349989735 /nfs/dbraw/zinc/98/97/35/1349989735.db2.gz KYCKGFYIGLZCIX-MRXNPFEDSA-N -1 1 348.834 2.315 20 0 EEADMM Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001600221373 1349996153 /nfs/dbraw/zinc/99/61/53/1349996153.db2.gz XINCPQWLFLMSPL-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Cc1cc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc(C(=O)[O-])c1 ZINC001600269509 1350007068 /nfs/dbraw/zinc/00/70/68/1350007068.db2.gz PNRRHFRKFYBFBV-HUUCEWRRSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001600445894 1350053560 /nfs/dbraw/zinc/05/35/60/1350053560.db2.gz PSWYHZGMHNCUBW-YWPYICTPSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)CC2 ZINC001600492050 1350065192 /nfs/dbraw/zinc/06/51/92/1350065192.db2.gz AEIYBURTNTXONK-YOEHRIQHSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1cccc(CN2CCN(Cc3cc(C(=O)[O-])n(C)c3)CC2)c1 ZINC001600533453 1350075848 /nfs/dbraw/zinc/07/58/48/1350075848.db2.gz RPTQBTDSIYHGMX-UHFFFAOYSA-N -1 1 327.428 2.350 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H](C)N1CCCCCC1 ZINC001600786647 1350137148 /nfs/dbraw/zinc/13/71/48/1350137148.db2.gz CAVHIGKEUAHEDL-AWEZNQCLSA-N -1 1 336.436 2.178 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001600906628 1350165150 /nfs/dbraw/zinc/16/51/50/1350165150.db2.gz MFVJKYDJELIXNR-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM Cn1c(CN2CCCN3c4ccccc4C[C@@H]3C2)ccc1C(=O)[O-] ZINC001600913994 1350166689 /nfs/dbraw/zinc/16/66/89/1350166689.db2.gz BBAQYHXBYPIMIR-MRXNPFEDSA-N -1 1 325.412 2.360 20 0 EEADMM Cn1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(C(F)F)n1 ZINC001600932194 1350171732 /nfs/dbraw/zinc/17/17/32/1350171732.db2.gz GUMDVORUNORVFU-UHFFFAOYSA-N -1 1 335.270 2.185 20 0 EEADMM N[C@H](C(=O)NC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001601174165 1350225498 /nfs/dbraw/zinc/22/54/98/1350225498.db2.gz SNYMFNYSLCXIKT-CIUSJNJJSA-N -1 1 330.306 2.075 20 0 EEADMM O=C([O-])c1coc(/C=C\C(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC001601234601 1350238268 /nfs/dbraw/zinc/23/82/68/1350238268.db2.gz XHRAWFVBVRLFNL-MWWKQMNYSA-N -1 1 340.379 2.382 20 0 EEADMM Cn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000003510105 1350305105 /nfs/dbraw/zinc/30/51/05/1350305105.db2.gz WEFFYPMJIAJTBL-UHFFFAOYSA-N -1 1 342.376 2.320 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001601568609 1350308869 /nfs/dbraw/zinc/30/88/69/1350308869.db2.gz XCUHBPHGLVKPQY-OWCLPIDISA-N -1 1 327.384 2.106 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ncn(-c4ccccc4)n3)[nH]c21 ZINC001601632516 1350324537 /nfs/dbraw/zinc/32/45/37/1350324537.db2.gz XZRNRFGIMUQREQ-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@H](NCc1cn2cccc(F)c2n1)c1ccc2c(c1)CCO2 ZINC001601677299 1350335168 /nfs/dbraw/zinc/33/51/68/1350335168.db2.gz XCIZBCFJGLSTSS-MRXNPFEDSA-N -1 1 341.342 2.324 20 0 EEADMM O=C([O-])C1=NO[C@@H](CSc2nc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC001601738916 1350352138 /nfs/dbraw/zinc/35/21/38/1350352138.db2.gz AJLBSRMSNQSTHV-SECBINFHSA-N -1 1 338.776 2.447 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001601771456 1350360784 /nfs/dbraw/zinc/36/07/84/1350360784.db2.gz FGGNQRHPPMPOIK-MAUKXSAKSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@H]1NCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001601806218 1350369202 /nfs/dbraw/zinc/36/92/02/1350369202.db2.gz ABQSGKCQJAXCPY-LDYMZIIASA-N -1 1 341.289 2.497 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)c2ccccc21 ZINC001601844910 1350379079 /nfs/dbraw/zinc/37/90/79/1350379079.db2.gz FAYOCNMPDDIJMI-HNNXBMFYSA-N -1 1 348.362 2.224 20 0 EEADMM O=C([O-])C=Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)o1 ZINC001601873735 1350386928 /nfs/dbraw/zinc/38/69/28/1350386928.db2.gz NATCYAOHUVXHGM-HYXAFXHYSA-N -1 1 327.340 2.178 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCC1 ZINC001601903335 1350393847 /nfs/dbraw/zinc/39/38/47/1350393847.db2.gz QCSSAEIQKBWOEM-HNNXBMFYSA-N -1 1 328.368 2.291 20 0 EEADMM O=C([O-])CC1(C[NH+]2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CC1 ZINC001601915917 1350396323 /nfs/dbraw/zinc/39/63/23/1350396323.db2.gz WDFJQDGPGHTFSE-UHFFFAOYSA-N -1 1 338.835 2.418 20 0 EEADMM O=C([O-])CCN1CC[C@@H](N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC001602009570 1350418551 /nfs/dbraw/zinc/41/85/51/1350418551.db2.gz JRFGHEXKWIAKHF-VXGBXAGGSA-N -1 1 348.365 2.117 20 0 EEADMM O=C([O-])c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)s1 ZINC001602320913 1350493428 /nfs/dbraw/zinc/49/34/28/1350493428.db2.gz MBUIPBGJXKOBEW-UHFFFAOYSA-N -1 1 345.424 2.236 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN([C@H]1CCC3(C[C@H]1F)OCCO3)CC2 ZINC001602421149 1350515421 /nfs/dbraw/zinc/51/54/21/1350515421.db2.gz SJOMHCLNHWCMMD-CVEARBPZSA-N -1 1 335.375 2.377 20 0 EEADMM O=C([O-])c1cccc2c1CCN([C@@H]1C[C@H]3CCCC[C@H]3NC1=O)C2 ZINC001602456789 1350523316 /nfs/dbraw/zinc/52/33/16/1350523316.db2.gz CXSCJJCBESMZJX-CSMYWGQOSA-N -1 1 328.412 2.190 20 0 EEADMM O=C([O-])c1n[nH]c2c1CN(CCc1nsc3ccccc13)CC2 ZINC001602566812 1350548285 /nfs/dbraw/zinc/54/82/85/1350548285.db2.gz GGHJXOCBXFFMDB-UHFFFAOYSA-N -1 1 328.397 2.318 20 0 EEADMM O=C([O-])c1cccc(CN2CCC([C@H]3COC(=O)N3)CC2)c1Cl ZINC001602655407 1350566717 /nfs/dbraw/zinc/56/67/17/1350566717.db2.gz HCTZQKNCKDMXPE-CYBMUJFWSA-N -1 1 338.791 2.359 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccs1 ZINC001602900971 1350602933 /nfs/dbraw/zinc/60/29/33/1350602933.db2.gz WQHKTSWRALPJOV-YVMONPNESA-N -1 1 332.414 2.104 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccs1 ZINC001602900971 1350602940 /nfs/dbraw/zinc/60/29/40/1350602940.db2.gz WQHKTSWRALPJOV-YVMONPNESA-N -1 1 332.414 2.104 20 0 EEADMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1C ZINC001603098167 1350638602 /nfs/dbraw/zinc/63/86/02/1350638602.db2.gz ZCCQGOGKZOPAMB-BMKPQVEQSA-N -1 1 334.416 2.448 20 0 EEADMM CC(C)[C@H]1C[C@@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001603241407 1350669099 /nfs/dbraw/zinc/66/90/99/1350669099.db2.gz RBUSLCLTLGNAGT-SMDDNHRTSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)[C@H]1C[C@@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001603241407 1350669104 /nfs/dbraw/zinc/66/91/04/1350669104.db2.gz RBUSLCLTLGNAGT-SMDDNHRTSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC001603258593 1350674544 /nfs/dbraw/zinc/67/45/44/1350674544.db2.gz NAGNGECTIRBLDR-FQEVSTJZSA-N -1 1 344.455 2.362 20 0 EEADMM C[C@@H](CCc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603499830 1350713158 /nfs/dbraw/zinc/71/31/58/1350713158.db2.gz XEGIHSSKISIKDP-VIFPVBQESA-N -1 1 346.778 2.259 20 0 EEADMM C[C@@H](COCc1ccccc1)COc1cccnc1-c1nnn[n-]1 ZINC001603569634 1350721869 /nfs/dbraw/zinc/72/18/69/1350721869.db2.gz WESFTVYOVBURIK-ZDUSSCGKSA-N -1 1 325.372 2.493 20 0 EEADMM C[C@@H](COCc1ccccc1)COc1cccnc1-c1nn[n-]n1 ZINC001603569634 1350721870 /nfs/dbraw/zinc/72/18/70/1350721870.db2.gz WESFTVYOVBURIK-ZDUSSCGKSA-N -1 1 325.372 2.493 20 0 EEADMM C[C@H](C[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603570291 1350721933 /nfs/dbraw/zinc/72/19/33/1350721933.db2.gz BVKUQULFGKKDKW-SPSFWMDKSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@H](C[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603570291 1350721936 /nfs/dbraw/zinc/72/19/36/1350721936.db2.gz BVKUQULFGKKDKW-SPSFWMDKSA-N -1 1 327.413 2.314 20 0 EEADMM CC(C)(NC[C@@H](O)Cc1cccc(Cl)c1)c1cc(C(=O)[O-])on1 ZINC001603680825 1350740847 /nfs/dbraw/zinc/74/08/47/1350740847.db2.gz LUVBRJHEMIHLOM-LBPRGKRZSA-N -1 1 338.791 2.455 20 0 EEADMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1nc(C2CC2)no1 ZINC001603704903 1350746751 /nfs/dbraw/zinc/74/67/51/1350746751.db2.gz MSWDNQAWUUDMKL-ZCFIWIBFSA-N -1 1 332.345 2.107 20 0 EEADMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1nc(C2CC2)no1 ZINC001603704903 1350746756 /nfs/dbraw/zinc/74/67/56/1350746756.db2.gz MSWDNQAWUUDMKL-ZCFIWIBFSA-N -1 1 332.345 2.107 20 0 EEADMM C[C@]1(CCCO)CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603800185 1350770376 /nfs/dbraw/zinc/77/03/76/1350770376.db2.gz IIIDKNPVZFGQAA-GFCCVEGCSA-N -1 1 328.829 2.108 20 0 EEADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603808148 1350773158 /nfs/dbraw/zinc/77/31/58/1350773158.db2.gz LFORQUWTPJVDHZ-CHWSQXEVSA-N -1 1 328.706 2.477 20 0 EEADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603808148 1350773159 /nfs/dbraw/zinc/77/31/59/1350773159.db2.gz LFORQUWTPJVDHZ-CHWSQXEVSA-N -1 1 328.706 2.477 20 0 EEADMM C[C@H]1C[C@@H]1N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001603872808 1350788856 /nfs/dbraw/zinc/78/88/56/1350788856.db2.gz VKRJLVMIQHDFLK-LRDDRELGSA-N -1 1 334.383 2.246 20 0 EEADMM C[C@H]1C[C@@H]1N(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001603872808 1350788861 /nfs/dbraw/zinc/78/88/61/1350788861.db2.gz VKRJLVMIQHDFLK-LRDDRELGSA-N -1 1 334.383 2.246 20 0 EEADMM C[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC001603900622 1350798024 /nfs/dbraw/zinc/79/80/24/1350798024.db2.gz KGPMVARPQPQJOO-NSHDSACASA-N -1 1 332.433 2.001 20 0 EEADMM C[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC001603900622 1350798025 /nfs/dbraw/zinc/79/80/25/1350798025.db2.gz KGPMVARPQPQJOO-NSHDSACASA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001603907554 1350799300 /nfs/dbraw/zinc/79/93/00/1350799300.db2.gz ILYZGAYYHWTWDK-UHFFFAOYSA-N -1 1 335.291 2.065 20 0 EEADMM CC(C)OCCN1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CC1 ZINC001603922983 1350802614 /nfs/dbraw/zinc/80/26/14/1350802614.db2.gz BZLPKDHFBDLQSG-UHFFFAOYSA-N -1 1 335.448 2.133 20 0 EEADMM CCC(CC)n1nccc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604030300 1350834002 /nfs/dbraw/zinc/83/40/02/1350834002.db2.gz RKWJWDWIIQWTSA-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CCC(CC)n1nccc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604030300 1350834005 /nfs/dbraw/zinc/83/40/05/1350834005.db2.gz RKWJWDWIIQWTSA-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CC[C@H](CNC(=O)CC1CCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604032470 1350834610 /nfs/dbraw/zinc/83/46/10/1350834610.db2.gz OHMQLRDPOKRREQ-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@H](CCO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604143464 1350872507 /nfs/dbraw/zinc/87/25/07/1350872507.db2.gz GTARQRNDMKKVNA-SECBINFHSA-N -1 1 330.314 2.244 20 0 EEADMM CCC[C@H](CCO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604143464 1350872509 /nfs/dbraw/zinc/87/25/09/1350872509.db2.gz GTARQRNDMKKVNA-SECBINFHSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001604349089 1350921529 /nfs/dbraw/zinc/92/15/29/1350921529.db2.gz DNQSUPICJGXQQZ-NWDGAFQWSA-N -1 1 327.384 2.169 20 0 EEADMM CCOc1ccc(N(CC)C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001604460004 1350942418 /nfs/dbraw/zinc/94/24/18/1350942418.db2.gz JSUWNFRYUWCOCQ-UHFFFAOYSA-N -1 1 338.371 2.327 20 0 EEADMM CCOc1ccc(N(CC)C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001604460004 1350942424 /nfs/dbraw/zinc/94/24/24/1350942424.db2.gz JSUWNFRYUWCOCQ-UHFFFAOYSA-N -1 1 338.371 2.327 20 0 EEADMM CC[S@](=O)[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604476325 1350945379 /nfs/dbraw/zinc/94/53/79/1350945379.db2.gz QQRWRBRMPWVOMN-FQOARCPFSA-N -1 1 340.478 2.123 20 0 EEADMM CCSCc1ccnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001604482672 1350947062 /nfs/dbraw/zinc/94/70/62/1350947062.db2.gz FGIQJJQVLAKAPF-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CCSCc1ccnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001604482672 1350947067 /nfs/dbraw/zinc/94/70/67/1350947067.db2.gz FGIQJJQVLAKAPF-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC001604493811 1350949203 /nfs/dbraw/zinc/94/92/03/1350949203.db2.gz NEHXEWPHAJNVOJ-KDOFPFPSSA-N -1 1 349.431 2.313 20 0 EEADMM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CCN1 ZINC001604539731 1350957752 /nfs/dbraw/zinc/95/77/52/1350957752.db2.gz COGIVHKDMZANQU-UHFFFAOYSA-N -1 1 343.330 2.202 20 0 EEADMM CN(C(=O)C/C=C\c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604639656 1350974810 /nfs/dbraw/zinc/97/48/10/1350974810.db2.gz OSMFOIAHRDKZGS-IHWYPQMZSA-N -1 1 338.346 2.467 20 0 EEADMM CN(C(=O)C/C=C\c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604639656 1350974814 /nfs/dbraw/zinc/97/48/14/1350974814.db2.gz OSMFOIAHRDKZGS-IHWYPQMZSA-N -1 1 338.346 2.467 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)CCN1CCC(=O)[O-] ZINC001604771539 1351000113 /nfs/dbraw/zinc/00/01/13/1351000113.db2.gz QHTAWWXMWYZOEI-UKRRQHHQSA-N -1 1 328.428 2.302 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)CCN1CCC(=O)[O-] ZINC001604781086 1351002415 /nfs/dbraw/zinc/00/24/15/1351002415.db2.gz UMQBFYOUJYEPOM-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccc2cc[nH]c2c1 ZINC001604810004 1351011337 /nfs/dbraw/zinc/01/13/37/1351011337.db2.gz HLZKHMIIISAZMD-UHFFFAOYSA-N -1 1 325.401 2.437 20 0 EEADMM CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccc2cc[nH]c2c1 ZINC001604810004 1351011343 /nfs/dbraw/zinc/01/13/43/1351011343.db2.gz HLZKHMIIISAZMD-UHFFFAOYSA-N -1 1 325.401 2.437 20 0 EEADMM CN(Cc1cscn1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604823973 1351015616 /nfs/dbraw/zinc/01/56/16/1351015616.db2.gz QALKNDKJOQYYFJ-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CN(Cc1cscn1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604823973 1351015617 /nfs/dbraw/zinc/01/56/17/1351015617.db2.gz QALKNDKJOQYYFJ-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CC[C@](C)(NCC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC001604913132 1351031179 /nfs/dbraw/zinc/03/11/79/1351031179.db2.gz PXPRBEDKCBDFHP-SFHVURJKSA-N -1 1 332.444 2.458 20 0 EEADMM COCC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccco1 ZINC001605079078 1351073463 /nfs/dbraw/zinc/07/34/63/1351073463.db2.gz UZJBBGSDMHXEJJ-NSHDSACASA-N -1 1 341.375 2.317 20 0 EEADMM COCC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccco1 ZINC001605079078 1351073468 /nfs/dbraw/zinc/07/34/68/1351073468.db2.gz UZJBBGSDMHXEJJ-NSHDSACASA-N -1 1 341.375 2.317 20 0 EEADMM COc1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC001605232512 1351110692 /nfs/dbraw/zinc/11/06/92/1351110692.db2.gz ZEPOXCKAUHSFLZ-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC001605232512 1351110694 /nfs/dbraw/zinc/11/06/94/1351110694.db2.gz ZEPOXCKAUHSFLZ-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM CCCCCC[C@](O)(CN1CCOc2cc(O)ccc2C1)C(=O)[O-] ZINC001605264556 1351119191 /nfs/dbraw/zinc/11/91/91/1351119191.db2.gz BETRVGMKEYPRPK-SFHVURJKSA-N -1 1 337.416 2.373 20 0 EEADMM COc1ccc(OC)c(CCNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC001605304636 1351131150 /nfs/dbraw/zinc/13/11/50/1351131150.db2.gz HLRJZZNKUWMWFP-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605330591 1351138227 /nfs/dbraw/zinc/13/82/27/1351138227.db2.gz AXGQIKBFUXDSBM-RHSMWYFYSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605330591 1351138228 /nfs/dbraw/zinc/13/82/28/1351138228.db2.gz AXGQIKBFUXDSBM-RHSMWYFYSA-N -1 1 337.387 2.116 20 0 EEADMM CCN1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H](C)C1 ZINC001605479771 1351168242 /nfs/dbraw/zinc/16/82/42/1351168242.db2.gz HOMUFRSQTFXZKZ-ZDUSSCGKSA-N -1 1 335.404 2.098 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2coc(-c3cccs3)n2)c1 ZINC001605510416 1351174648 /nfs/dbraw/zinc/17/46/48/1351174648.db2.gz AASSSCRVDVQRCN-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCOC3(CCC3)C2)n1 ZINC001605575465 1351192661 /nfs/dbraw/zinc/19/26/61/1351192661.db2.gz PEUBEYBMBXKXJJ-HNNXBMFYSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCOC3(CCC3)C2)n1 ZINC001605575465 1351192666 /nfs/dbraw/zinc/19/26/66/1351192666.db2.gz PEUBEYBMBXKXJJ-HNNXBMFYSA-N -1 1 329.408 2.116 20 0 EEADMM CCOC(=O)c1cccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])n1 ZINC001605574019 1351192857 /nfs/dbraw/zinc/19/28/57/1351192857.db2.gz GJCRWRMGIGRCOJ-QGZVFWFLSA-N -1 1 340.379 2.442 20 0 EEADMM CCO[C@H]1C[C@@](NC(=O)c2cccc3nc(C)[nH]c32)(C(=O)[O-])C1(C)C ZINC001605609190 1351200379 /nfs/dbraw/zinc/20/03/79/1351200379.db2.gz UIJMBWIBXXAHOX-SCLBCKFNSA-N -1 1 345.399 2.260 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)nc2ccccc12 ZINC001605619943 1351202864 /nfs/dbraw/zinc/20/28/64/1351202864.db2.gz MRMZJRLSGRMEOI-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)nc2ccccc12 ZINC001605619943 1351202869 /nfs/dbraw/zinc/20/28/69/1351202869.db2.gz MRMZJRLSGRMEOI-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1cc(NC[C@@H](O)Cc2cccc(Cl)c2)nc(-c2nnn[n-]2)c1 ZINC001605728335 1351219037 /nfs/dbraw/zinc/21/90/37/1351219037.db2.gz GQFGECWOHJLRCB-ZDUSSCGKSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1cc(NC[C@@H](O)Cc2cccc(Cl)c2)nc(-c2nn[n-]n2)c1 ZINC001605728335 1351219041 /nfs/dbraw/zinc/21/90/41/1351219041.db2.gz GQFGECWOHJLRCB-ZDUSSCGKSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605827614 1351230239 /nfs/dbraw/zinc/23/02/39/1351230239.db2.gz ODYNVAMLEBNKBZ-UHFFFAOYSA-N -1 1 326.312 2.116 20 0 EEADMM Cc1ccc(CS(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001605859090 1351239134 /nfs/dbraw/zinc/23/91/34/1351239134.db2.gz LUJZAVUOVWNBLE-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM Cc1ccc(CS(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001605859090 1351239137 /nfs/dbraw/zinc/23/91/37/1351239137.db2.gz LUJZAVUOVWNBLE-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM CCc1oc(C(=O)OC)cc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001605889266 1351247289 /nfs/dbraw/zinc/24/72/89/1351247289.db2.gz JXVWAUKFUBSOIK-AWEZNQCLSA-N -1 1 349.305 2.468 20 0 EEADMM Cc1ccn(CN2CC[C@@H](CC(C)(C)C)C2)c(=O)c1-c1nnn[n-]1 ZINC001605948508 1351257871 /nfs/dbraw/zinc/25/78/71/1351257871.db2.gz ABYUXORMKOMRNV-ZDUSSCGKSA-N -1 1 330.436 2.052 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001606155391 1351279412 /nfs/dbraw/zinc/27/94/12/1351279412.db2.gz LWSFYSSAQFUZBZ-CYBMUJFWSA-N -1 1 344.333 2.213 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2ccccc2n1 ZINC001606168280 1351281012 /nfs/dbraw/zinc/28/10/12/1351281012.db2.gz DXVNZWQTMFVWMC-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2ccccc2n1 ZINC001606168280 1351281014 /nfs/dbraw/zinc/28/10/14/1351281014.db2.gz DXVNZWQTMFVWMC-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@]23CCCO3)sc1-c1nnn[n-]1 ZINC001606199935 1351284510 /nfs/dbraw/zinc/28/45/10/1351284510.db2.gz UYEYCOKTRYOZDS-KRTXAFLBSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@]23CCCO3)sc1-c1nn[n-]n1 ZINC001606199935 1351284514 /nfs/dbraw/zinc/28/45/14/1351284514.db2.gz UYEYCOKTRYOZDS-KRTXAFLBSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@@H]2CCOC23CCCC3)c1-c1nnn[n-]1 ZINC001606201257 1351284777 /nfs/dbraw/zinc/28/47/77/1351284777.db2.gz YTVOZWFNJMHTFU-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@@H]2CCOC23CCCC3)c1-c1nn[n-]n1 ZINC001606201257 1351284778 /nfs/dbraw/zinc/28/47/78/1351284778.db2.gz YTVOZWFNJMHTFU-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)C[C@@H](C(=O)[O-])C1 ZINC001606236436 1351286957 /nfs/dbraw/zinc/28/69/57/1351286957.db2.gz XOQWNWNDJMBNAQ-QMMMGPOBSA-N -1 1 349.189 2.221 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)C[C@@H](C(=O)[O-])C1 ZINC001606236436 1351286960 /nfs/dbraw/zinc/28/69/60/1351286960.db2.gz XOQWNWNDJMBNAQ-QMMMGPOBSA-N -1 1 349.189 2.221 20 0 EEADMM Fc1cc(Br)ccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001606309518 1351291397 /nfs/dbraw/zinc/29/13/97/1351291397.db2.gz VEJYJQHNSYFCAE-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Br)ccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001606309518 1351291402 /nfs/dbraw/zinc/29/14/02/1351291402.db2.gz VEJYJQHNSYFCAE-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc([C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c(F)c1 ZINC001606317001 1351291931 /nfs/dbraw/zinc/29/19/31/1351291931.db2.gz QFYXPTUZZKIDPV-CQSZACIVSA-N -1 1 329.314 2.498 20 0 EEADMM Fc1ccc([C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c(F)c1 ZINC001606317001 1351291936 /nfs/dbraw/zinc/29/19/36/1351291936.db2.gz QFYXPTUZZKIDPV-CQSZACIVSA-N -1 1 329.314 2.498 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@H]1CCc2ccccc21 ZINC001606596323 1351329405 /nfs/dbraw/zinc/32/94/05/1351329405.db2.gz IPOUXSTUECPCIO-OAHLLOKOSA-N -1 1 349.394 2.468 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@H]1CCc2ccccc21 ZINC001606596323 1351329408 /nfs/dbraw/zinc/32/94/08/1351329408.db2.gz IPOUXSTUECPCIO-OAHLLOKOSA-N -1 1 349.394 2.468 20 0 EEADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606632502 1351335045 /nfs/dbraw/zinc/33/50/45/1351335045.db2.gz BFRAUUNRUBGRCK-JTQLQIEISA-N -1 1 329.257 2.077 20 0 EEADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606632502 1351335047 /nfs/dbraw/zinc/33/50/47/1351335047.db2.gz BFRAUUNRUBGRCK-JTQLQIEISA-N -1 1 329.257 2.077 20 0 EEADMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606655713 1351337819 /nfs/dbraw/zinc/33/78/19/1351337819.db2.gz CTIHXRILNQDKPF-GJZGRUSLSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606655713 1351337822 /nfs/dbraw/zinc/33/78/22/1351337822.db2.gz CTIHXRILNQDKPF-GJZGRUSLSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606683462 1351341388 /nfs/dbraw/zinc/34/13/88/1351341388.db2.gz PNGPHFFWUULHMP-NSHDSACASA-N -1 1 345.378 2.227 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606683462 1351341390 /nfs/dbraw/zinc/34/13/90/1351341390.db2.gz PNGPHFFWUULHMP-NSHDSACASA-N -1 1 345.378 2.227 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606683239 1351341619 /nfs/dbraw/zinc/34/16/19/1351341619.db2.gz OEHNPZXUBXQRLB-CYBMUJFWSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606683239 1351341624 /nfs/dbraw/zinc/34/16/24/1351341624.db2.gz OEHNPZXUBXQRLB-CYBMUJFWSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(NCC1(C2CC2)CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606704733 1351344556 /nfs/dbraw/zinc/34/45/56/1351344556.db2.gz KYGADCFWXWAKNT-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCC1(C2CC2)CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606704733 1351344561 /nfs/dbraw/zinc/34/45/61/1351344561.db2.gz KYGADCFWXWAKNT-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606753374 1351351492 /nfs/dbraw/zinc/35/14/92/1351351492.db2.gz AXVPGXJTZIQHTJ-AWEZNQCLSA-N -1 1 341.396 2.220 20 0 EEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606753374 1351351498 /nfs/dbraw/zinc/35/14/98/1351351498.db2.gz AXVPGXJTZIQHTJ-AWEZNQCLSA-N -1 1 341.396 2.220 20 0 EEADMM O=C(NCCc1cccc2[nH]ccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606796294 1351357919 /nfs/dbraw/zinc/35/79/19/1351357919.db2.gz CLJYRNMBEVIXHO-UHFFFAOYSA-N -1 1 348.370 2.107 20 0 EEADMM O=C(NCCc1cccc2[nH]ccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606796294 1351357922 /nfs/dbraw/zinc/35/79/22/1351357922.db2.gz CLJYRNMBEVIXHO-UHFFFAOYSA-N -1 1 348.370 2.107 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H](F)Cc1ccccc1 ZINC001606831188 1351363151 /nfs/dbraw/zinc/36/31/51/1351363151.db2.gz HBGUYTSIWHMFMG-GFCCVEGCSA-N -1 1 331.376 2.125 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc(-c2nn[nH]n2)ccc1F ZINC001606902391 1351372804 /nfs/dbraw/zinc/37/28/04/1351372804.db2.gz MTRKDSBHZRWFRT-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(O[C@@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606963448 1351385936 /nfs/dbraw/zinc/38/59/36/1351385936.db2.gz XFGLFCUAQRFZPB-JTQLQIEISA-N -1 1 339.233 2.315 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC2(CCCCC2)CC1 ZINC001607092316 1351414522 /nfs/dbraw/zinc/41/45/22/1351414522.db2.gz SJEDCHFKAGDFCG-UHFFFAOYSA-N -1 1 328.420 2.032 20 0 EEADMM c1cnc2nc([C@H]3CCN(c4cccc(-c5nnn[n-]5)n4)C3)ccc2c1 ZINC001607116347 1351425082 /nfs/dbraw/zinc/42/50/82/1351425082.db2.gz HDPULYWDIHDIIS-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM c1cnc2nc([C@H]3CCN(c4cccc(-c5nn[n-]n5)n4)C3)ccc2c1 ZINC001607116347 1351425084 /nfs/dbraw/zinc/42/50/84/1351425084.db2.gz HDPULYWDIHDIIS-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM c1cnn([C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)c1 ZINC001607132099 1351433162 /nfs/dbraw/zinc/43/31/62/1351433162.db2.gz WJRYRHPXDOYJPG-LBPRGKRZSA-N -1 1 332.371 2.063 20 0 EEADMM c1cnn([C@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)c1 ZINC001607132099 1351433164 /nfs/dbraw/zinc/43/31/64/1351433164.db2.gz WJRYRHPXDOYJPG-LBPRGKRZSA-N -1 1 332.371 2.063 20 0 EEADMM c1csc(C2(NCc3nc(-c4nnn[n-]4)cs3)CCCC2)n1 ZINC001607136933 1351435743 /nfs/dbraw/zinc/43/57/43/1351435743.db2.gz VPOQAHLRVXQTMU-UHFFFAOYSA-N -1 1 333.446 2.339 20 0 EEADMM c1csc(C2(NCc3nc(-c4nn[n-]n4)cs3)CCCC2)n1 ZINC001607136933 1351435746 /nfs/dbraw/zinc/43/57/46/1351435746.db2.gz VPOQAHLRVXQTMU-UHFFFAOYSA-N -1 1 333.446 2.339 20 0 EEADMM COc1cc(Cl)ccc1CN(CCC(=O)[O-])CC(OC)OC ZINC001607167240 1351441808 /nfs/dbraw/zinc/44/18/08/1351441808.db2.gz OXMILXIVPQANPE-UHFFFAOYSA-N -1 1 331.796 2.244 20 0 EEADMM COc1ccc(/C(C)=C/C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC001607220690 1351451784 /nfs/dbraw/zinc/45/17/84/1351451784.db2.gz XGHPIGCVCYCBQE-OKFGHLOFSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc(C2=NO[C@@H](CNCc3ccc(C(=O)[O-])[nH]3)C2)cc1 ZINC001607239103 1351456769 /nfs/dbraw/zinc/45/67/69/1351456769.db2.gz UNRXFIPVHNHWNW-CQSZACIVSA-N -1 1 329.356 2.004 20 0 EEADMM COc1ccc(OC)c([C@@H](O)[C@@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC001607279324 1351464115 /nfs/dbraw/zinc/46/41/15/1351464115.db2.gz KVZCSQSTSVAXSE-HWPZZCPQSA-N -1 1 335.356 2.207 20 0 EEADMM COc1cccc([C@H](N)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001607312827 1351471190 /nfs/dbraw/zinc/47/11/90/1351471190.db2.gz KVJTYMPDIWIREE-KRWDZBQOSA-N -1 1 328.368 2.351 20 0 EEADMM COc1cccc([C@@H](NCc2ccc(S(C)(=O)=O)cc2)C(=O)[O-])c1 ZINC001607314059 1351471503 /nfs/dbraw/zinc/47/15/03/1351471503.db2.gz WSDOYGNZQVMRPS-MRXNPFEDSA-N -1 1 349.408 2.014 20 0 EEADMM COc1cccc2c1CC[C@]2(CO)NCc1ccsc1C(=O)[O-] ZINC001607333349 1351476538 /nfs/dbraw/zinc/47/65/38/1351476538.db2.gz CFJQGNWJNZBTIR-QGZVFWFLSA-N -1 1 333.409 2.379 20 0 EEADMM Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1C(F)(F)F ZINC001607499753 1351506390 /nfs/dbraw/zinc/50/63/90/1351506390.db2.gz BQAZCVVOMPCVBB-YMTOWFKASA-N -1 1 345.321 2.454 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)n1C ZINC001607512422 1351508042 /nfs/dbraw/zinc/50/80/42/1351508042.db2.gz YXELWKSIDWYZSI-ZWNOBZJWSA-N -1 1 334.338 2.167 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@@H](C)CO ZINC001607741278 1351550313 /nfs/dbraw/zinc/55/03/13/1351550313.db2.gz HFDOXKMKRRHBQY-XJKSGUPXSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1sc([C@H]2CCCN2CCN2CCOC[C@@H]2C)nc1C(=O)[O-] ZINC001608069510 1351618505 /nfs/dbraw/zinc/61/85/05/1351618505.db2.gz WGFBCPSWVDELBA-WCQYABFASA-N -1 1 339.461 2.007 20 0 EEADMM Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001608092423 1351623590 /nfs/dbraw/zinc/62/35/90/1351623590.db2.gz SHZQEPYJHIHXES-YYRKOSNBSA-N -1 1 328.368 2.243 20 0 EEADMM Cn1cc(CN[C@H]2CCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC001608114399 1351627518 /nfs/dbraw/zinc/62/75/18/1351627518.db2.gz KLPPSPWOVRVPLF-ZDUSSCGKSA-N -1 1 347.802 2.272 20 0 EEADMM CC(C)CCN(c1nnc(Cc2nnn[n-]2)n1CC(C)C)C1CC1 ZINC001649187099 1352382166 /nfs/dbraw/zinc/38/21/66/1352382166.db2.gz OCTYJZKFBGWPEU-UHFFFAOYSA-N -1 1 332.456 2.053 20 0 EEADMM CC(C)CCN(c1nnc(Cc2nn[n-]n2)n1CC(C)C)C1CC1 ZINC001649187099 1352382171 /nfs/dbraw/zinc/38/21/71/1352382171.db2.gz OCTYJZKFBGWPEU-UHFFFAOYSA-N -1 1 332.456 2.053 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N(CC1CC1)CC1CCC1 ZINC001649187183 1352382707 /nfs/dbraw/zinc/38/27/07/1352382707.db2.gz OLWNGKHQSCFJNE-UHFFFAOYSA-N -1 1 344.467 2.055 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N(CC1CC1)CC1CCC1 ZINC001649187183 1352382708 /nfs/dbraw/zinc/38/27/08/1352382708.db2.gz OLWNGKHQSCFJNE-UHFFFAOYSA-N -1 1 344.467 2.055 20 0 EEADMM CCOc1ccc(S(=O)(=O)Nc2nccs2)cc1C(=O)[O-] ZINC000037326054 1352394121 /nfs/dbraw/zinc/39/41/21/1352394121.db2.gz NMLNZVGJTVXRBF-UHFFFAOYSA-N -1 1 328.371 2.041 20 0 EEADMM Cc1noc(C2CN(C(=O)c3ccc4ccc(O)cc4c3[O-])C2)n1 ZINC001634720857 1352634231 /nfs/dbraw/zinc/63/42/31/1352634231.db2.gz MOAKNANNJRHJRH-UHFFFAOYSA-N -1 1 325.324 2.182 20 0 EEADMM CCOc1c(F)cccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001642558031 1352733847 /nfs/dbraw/zinc/73/38/47/1352733847.db2.gz MQEMXOGUUXYHTB-CQSZACIVSA-N -1 1 341.346 2.257 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ncc(Cl)cc1Cl ZINC001642562722 1352734068 /nfs/dbraw/zinc/73/40/68/1352734068.db2.gz SJLYVUASXZXYLS-LLVKDONJSA-N -1 1 349.181 2.421 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)[nH]c2c1 ZINC001646722394 1352945690 /nfs/dbraw/zinc/94/56/90/1352945690.db2.gz NOEBZMIFAKHNFS-NWDGAFQWSA-N -1 1 330.388 2.266 20 0 EEADMM C[C@H]1CCCN(C(=O)CCNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001650604987 1354018451 /nfs/dbraw/zinc/01/84/51/1354018451.db2.gz NOTUPXJESMCISB-ZDUSSCGKSA-N -1 1 341.411 2.319 20 0 EEADMM Cc1cc2cc[nH]c2cc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001660756189 1354532610 /nfs/dbraw/zinc/53/26/10/1354532610.db2.gz HNAXFIHDYUGDFT-UHFFFAOYSA-N -1 1 325.376 2.401 20 0 EEADMM COc1c(C[N-]S(=O)(=O)c2c[nH]nc2Cl)oc2ccccc21 ZINC001668683793 1355985990 /nfs/dbraw/zinc/98/59/90/1355985990.db2.gz FYSMZZIZZNBJGR-UHFFFAOYSA-N -1 1 341.776 2.296 20 0 EEADMM O=C(NCc1ncccc1F)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001673494724 1356696031 /nfs/dbraw/zinc/69/60/31/1356696031.db2.gz SWNCAIBYEKQAPQ-UHFFFAOYSA-N -1 1 327.319 2.434 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H](C)CC1CCCC1 ZINC001388433825 1387459091 /nfs/dbraw/zinc/45/90/91/1387459091.db2.gz QJLQVOOCQJHWAB-KBPBESRZSA-N -1 1 347.459 2.486 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CCC1 ZINC001388901468 1387792280 /nfs/dbraw/zinc/79/22/80/1387792280.db2.gz MSIVZRXGXXAQQX-OCCSQVGLSA-N -1 1 333.432 2.094 20 0 EEADMM CCn1cc(-c2[nH]ncc2C(=O)N2CCC[C@@H](CC(=O)[O-])CC2)cn1 ZINC000836723064 1367728053 /nfs/dbraw/zinc/72/80/53/1367728053.db2.gz RTTVODCRQDBZDE-GFCCVEGCSA-N -1 1 345.403 2.010 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccn(C(F)F)c1=O ZINC001188535158 1368305516 /nfs/dbraw/zinc/30/55/16/1368305516.db2.gz JZDQXOHFPDHQTP-UHFFFAOYSA-N -1 1 346.293 2.387 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cc(Cl)nc(OC)n2)c(OC)c1 ZINC001190110115 1368394498 /nfs/dbraw/zinc/39/44/98/1368394498.db2.gz HKEKBHTXQLNBSM-UHFFFAOYSA-N -1 1 339.735 2.114 20 0 EEADMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(F)c([O-])cc1F ZINC001192876008 1368428079 /nfs/dbraw/zinc/42/80/79/1368428079.db2.gz HKIKSVOSFIUEIB-UHFFFAOYSA-N -1 1 344.321 2.428 20 0 EEADMM Cc1coc(C)c1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001488777965 1369066679 /nfs/dbraw/zinc/06/66/79/1369066679.db2.gz DBGVGKNUCWCBPC-VXGBXAGGSA-N -1 1 345.399 2.324 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(Cl)cc2)cc1 ZINC000006641858 1369194199 /nfs/dbraw/zinc/19/41/99/1369194199.db2.gz WOJUIMXDKVDUOB-UHFFFAOYSA-N -1 1 347.754 2.462 20 0 EEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3ccc(F)cc3s2)C1=O ZINC000784843084 1371449513 /nfs/dbraw/zinc/44/95/13/1371449513.db2.gz CQYXUCCWVNAUNB-HNNXBMFYSA-N -1 1 335.360 2.406 20 0 EEADMM O=C([N-]CC1CCN(Cc2cnc(Cl)cn2)CC1)C(F)(F)F ZINC000799174803 1371635497 /nfs/dbraw/zinc/63/54/97/1371635497.db2.gz RTWRODZYJQZDIZ-UHFFFAOYSA-N -1 1 336.745 2.021 20 0 EEADMM CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000839108931 1372893704 /nfs/dbraw/zinc/89/37/04/1372893704.db2.gz PKSQNRNPNFROQF-GHMZBOCLSA-N -1 1 345.417 2.081 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cn1cccnc1=S ZINC000848502879 1373155615 /nfs/dbraw/zinc/15/56/15/1373155615.db2.gz YLFZUOBJIZAIKB-NXEZZACHSA-N -1 1 334.367 2.101 20 0 EEADMM O=C([N-]CCCOC(=O)[C@H]1CCNc2cc(F)ccc21)C(F)(F)F ZINC000849834735 1373268496 /nfs/dbraw/zinc/26/84/96/1373268496.db2.gz KLSDKGIERANAOG-NSHDSACASA-N -1 1 348.296 2.337 20 0 EEADMM CNC(=O)c1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001361678986 1373328253 /nfs/dbraw/zinc/32/82/53/1373328253.db2.gz HEDNEMLLSRASEG-UHFFFAOYSA-N -1 1 332.787 2.264 20 0 EEADMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc([O-])cn3)ccc2NC1=O ZINC001361989813 1373358370 /nfs/dbraw/zinc/35/83/70/1373358370.db2.gz DAADIOPQRVAMHS-BMIGLBTASA-N -1 1 341.367 2.388 20 0 EEADMM NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC001363309931 1373503876 /nfs/dbraw/zinc/50/38/76/1373503876.db2.gz LUWLZIXGIWTLIH-GOSISDBHSA-N -1 1 344.798 2.315 20 0 EEADMM O=C(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccc(Cl)cc1[O-] ZINC001363462364 1373521213 /nfs/dbraw/zinc/52/12/13/1373521213.db2.gz SMFIXRSVIDPHML-CABCVRRESA-N -1 1 339.819 2.486 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCC2(O)CCC(C)(C)CC2)c1 ZINC001364012379 1373570302 /nfs/dbraw/zinc/57/03/02/1373570302.db2.gz NQLQJIAYPCKTBD-UHFFFAOYSA-N -1 1 343.445 2.010 20 0 EEADMM COc1ccc(NC(=O)Nc2conc2C)cc1[N-]S(C)(=O)=O ZINC001365134298 1373674793 /nfs/dbraw/zinc/67/47/93/1373674793.db2.gz RCMPVIWULTVVHB-UHFFFAOYSA-N -1 1 340.361 2.007 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)C1=Cc2ccccc2O[C@@H]1C(F)(F)F ZINC001365206501 1373682457 /nfs/dbraw/zinc/68/24/57/1373682457.db2.gz HBTRPRSDWFNLCY-NSHDSACASA-N -1 1 325.246 2.461 20 0 EEADMM CC[C@H](CNC(=O)C1CCC1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001390160976 1388471730 /nfs/dbraw/zinc/47/17/30/1388471730.db2.gz LTQNLCCXDLLMAP-CYBMUJFWSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1cccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])c1F ZINC001375694313 1377930841 /nfs/dbraw/zinc/93/08/41/1377930841.db2.gz IDWFTDGUUWUHST-NSHDSACASA-N -1 1 345.374 2.031 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cs1 ZINC001390386546 1388617506 /nfs/dbraw/zinc/61/75/06/1388617506.db2.gz XMLCRWQCZSAOJW-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM CC(C)c1ocnc1CNC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001379857475 1380919332 /nfs/dbraw/zinc/91/93/32/1380919332.db2.gz JDTXLNDZYAETSE-CYBMUJFWSA-N -1 1 344.415 2.197 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CCCC1 ZINC001381069782 1381498361 /nfs/dbraw/zinc/49/83/61/1381498361.db2.gz WNYJEIFRTBIIJD-CQSZACIVSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)CCC(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001381418401 1381608094 /nfs/dbraw/zinc/60/80/94/1381608094.db2.gz LJFIZVPHQDNOCE-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CCC[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001383590092 1382581399 /nfs/dbraw/zinc/58/13/99/1382581399.db2.gz AHMYUJQWHBVANY-JSGCOSHPSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001384086349 1382790998 /nfs/dbraw/zinc/79/09/98/1382790998.db2.gz DNOLPTOCGBZLLR-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(CCC1CCCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384466461 1384102418 /nfs/dbraw/zinc/10/24/18/1384102418.db2.gz CMWTWWWKOGNKRD-GASCZTMLSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)(C)CCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385566064 1385689499 /nfs/dbraw/zinc/68/94/99/1385689499.db2.gz DTSNNHNKJJEZEA-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001385796947 1385852017 /nfs/dbraw/zinc/85/20/17/1385852017.db2.gz YWDLIAFXBICBBT-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CCC(C)(C)CC1 ZINC001386234695 1386026764 /nfs/dbraw/zinc/02/67/64/1386026764.db2.gz FFXBAYHPWAKVHK-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001387563043 1386844938 /nfs/dbraw/zinc/84/49/38/1386844938.db2.gz RBJDIPRQZLYILM-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)CCCC(F)(F)F ZINC001391809085 1389619603 /nfs/dbraw/zinc/61/96/03/1389619603.db2.gz RZYYWZJPYKDUSI-UHFFFAOYSA-N -1 1 347.337 2.050 20 0 EEADMM C[C@H](CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)NC(=O)c1ncccc1[O-] ZINC001392291692 1389955619 /nfs/dbraw/zinc/95/56/19/1389955619.db2.gz BAKGRLJHULGVTJ-NYTXWWLZSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)CN[C@H](C)c2c(F)cccc2F)c1[O-] ZINC001392472249 1390053066 /nfs/dbraw/zinc/05/30/66/1390053066.db2.gz WAUBPISOHWHETN-RKDXNWHRSA-N -1 1 338.358 2.171 20 0 EEADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CC1)c1ccccc1Cl ZINC001393610508 1390493029 /nfs/dbraw/zinc/49/30/29/1390493029.db2.gz LPNGROMPVCSFLH-UHFFFAOYSA-N -1 1 345.786 2.133 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)C1(C)CCC1 ZINC001395016812 1390772883 /nfs/dbraw/zinc/77/28/83/1390772883.db2.gz SDNZTBLSZDGTCE-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CC1 ZINC001395217780 1390802416 /nfs/dbraw/zinc/80/24/16/1390802416.db2.gz URTOEQXKIFAZCP-HIFRSBDPSA-N -1 1 347.459 2.436 20 0 EEADMM CCC(CC)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001396124408 1390908117 /nfs/dbraw/zinc/90/81/17/1390908117.db2.gz BDEDBZLGLPKKLG-CQSZACIVSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@@H](C)CCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397006374 1391001820 /nfs/dbraw/zinc/00/18/20/1391001820.db2.gz BACSSAPFGLBQLS-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001397099161 1391077412 /nfs/dbraw/zinc/07/74/12/1391077412.db2.gz CBKAFISOUJJNBY-SOUVJXGZSA-N -1 1 345.443 2.429 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCCC1 ZINC001397643112 1391397683 /nfs/dbraw/zinc/39/76/83/1391397683.db2.gz CHPYHUMLPUIORZ-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001400982692 1396790556 /nfs/dbraw/zinc/79/05/56/1396790556.db2.gz URKSCVYWSHZGSY-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(CCCC1CCCCC1)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001402575218 1398067486 /nfs/dbraw/zinc/06/74/86/1398067486.db2.gz OOJRQOBTTPLQOP-UHFFFAOYSA-N -1 1 349.479 2.389 20 0 EEADMM Cc1cccc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])c1F ZINC001424175183 1400950016 /nfs/dbraw/zinc/95/00/16/1400950016.db2.gz GUHDFMIGKHRHNN-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCOc1cccc(NC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC001425217808 1401509295 /nfs/dbraw/zinc/50/92/95/1401509295.db2.gz DORJBUGXPCAGMR-LBPRGKRZSA-N -1 1 336.421 2.214 20 0 EEADMM CCCCCC(=O)N1CCC[C@@H]([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001755202911 1407213844 /nfs/dbraw/zinc/21/38/44/1407213844.db2.gz NZXQIZVLMWYVRA-CABCVRRESA-N -1 1 349.479 2.151 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001428118738 1402629334 /nfs/dbraw/zinc/62/93/34/1402629334.db2.gz LTVDFMXFZORPLA-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CCC1 ZINC001428366756 1402692943 /nfs/dbraw/zinc/69/29/43/1402692943.db2.gz KVTYQNMDSNLGFG-SWLSCSKDSA-N -1 1 347.459 2.484 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2cc(C)nc(C)n2)c(=O)[n-]1 ZINC001433541726 1403405425 /nfs/dbraw/zinc/40/54/25/1403405425.db2.gz NWKXMFZOLPERFN-UHFFFAOYSA-N -1 1 333.417 2.191 20 0 EEADMM CC(=O)N[C@](C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC001433605763 1403412870 /nfs/dbraw/zinc/41/28/70/1403412870.db2.gz NEENGHDGJMTKTQ-KRWDZBQOSA-N -1 1 330.388 2.272 20 0 EEADMM CCC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001433712230 1403425339 /nfs/dbraw/zinc/42/53/39/1403425339.db2.gz KLSKJAIVKXVAMZ-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(c1cccc([O-])c1F)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001433891772 1403443408 /nfs/dbraw/zinc/44/34/08/1403443408.db2.gz KMXLTZPPVAYQMG-UHFFFAOYSA-N -1 1 332.306 2.159 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)sc1C ZINC001577732852 1403671763 /nfs/dbraw/zinc/67/17/63/1403671763.db2.gz DDNXCFIMOTUAFK-UHFFFAOYSA-N -1 1 331.405 2.175 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)sc1C ZINC001577732852 1403671768 /nfs/dbraw/zinc/67/17/68/1403671768.db2.gz DDNXCFIMOTUAFK-UHFFFAOYSA-N -1 1 331.405 2.175 20 0 EEADMM CCO[C@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001578298132 1403732781 /nfs/dbraw/zinc/73/27/81/1403732781.db2.gz NSMFTSTYNXSCIL-SSDOTTSWSA-N -1 1 345.281 2.129 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1F ZINC001579484214 1403784831 /nfs/dbraw/zinc/78/48/31/1403784831.db2.gz YXDKSAWAERZKRM-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CS(C)(=O)=Nc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001580174683 1403841574 /nfs/dbraw/zinc/84/15/74/1403841574.db2.gz HTLTUCFVBQSYKT-UHFFFAOYSA-N -1 1 349.445 2.294 20 0 EEADMM CS(C)(=O)=Nc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001580174683 1403841581 /nfs/dbraw/zinc/84/15/81/1403841581.db2.gz HTLTUCFVBQSYKT-UHFFFAOYSA-N -1 1 349.445 2.294 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592244524 1404015095 /nfs/dbraw/zinc/01/50/95/1404015095.db2.gz ZDUDQHSZUSHILD-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592244524 1404015104 /nfs/dbraw/zinc/01/51/04/1404015104.db2.gz ZDUDQHSZUSHILD-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccnc(OC2CCN(c3cccnc3-c3nnn[n-]3)CC2)c1 ZINC001592275210 1404016763 /nfs/dbraw/zinc/01/67/63/1404016763.db2.gz AGIHVRTZNCKADJ-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccnc(OC2CCN(c3cccnc3-c3nn[n-]n3)CC2)c1 ZINC001592275210 1404016769 /nfs/dbraw/zinc/01/67/69/1404016769.db2.gz AGIHVRTZNCKADJ-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC001592415482 1404030597 /nfs/dbraw/zinc/03/05/97/1404030597.db2.gz 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CC1(C)CN(Cc2oncc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000382600997 971826557 /nfs/dbraw/zinc/82/65/57/971826557.db2.gz RJRUCCICTPYWOA-UHFFFAOYSA-N -1 1 329.400 2.469 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC001589275292 953464402 /nfs/dbraw/zinc/46/44/02/953464402.db2.gz YDDAQOSYTKJKJC-KGLIPLIRSA-N -1 1 334.416 2.448 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC001589275294 953464618 /nfs/dbraw/zinc/46/46/18/953464618.db2.gz YDDAQOSYTKJKJC-ZIAGYGMSSA-N -1 1 334.416 2.448 20 0 EEADMM CCc1cc(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)[nH]n1 ZINC001593632951 953587607 /nfs/dbraw/zinc/58/76/07/953587607.db2.gz NDXMBNDZWOLHOD-LBPRGKRZSA-N -1 1 332.404 2.156 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(Br)c2O)C[C@H]1C(=O)[O-] ZINC001589350289 954074959 /nfs/dbraw/zinc/07/49/59/954074959.db2.gz IZSOBNRDURTZKP-WCBMZHEXSA-N -1 1 342.189 2.338 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)CC=CCC1 ZINC001594869828 954341609 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SYJHDTPEBPSNFG-UHFFFAOYSA-N -1 1 333.365 2.155 20 0 EEADMM O=C(COC(=O)CNc1ccccc1Cl)[N-]C(=O)c1ccccc1 ZINC000745012361 577906706 /nfs/dbraw/zinc/90/67/06/577906706.db2.gz NKJMQXNAPQNWAV-UHFFFAOYSA-N -1 1 346.770 2.252 20 0 EEADMM O=C(COC(=O)c1c(F)cc(O)cc1F)[N-]OCc1ccccc1 ZINC000746986544 577937552 /nfs/dbraw/zinc/93/75/52/577937552.db2.gz KMVKDTMIMNMXNK-UHFFFAOYSA-N -1 1 337.278 2.075 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000747551489 577946169 /nfs/dbraw/zinc/94/61/69/577946169.db2.gz BJTYVHROVCDTML-WFASDCNBSA-N -1 1 343.427 2.336 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc(O)c(Cl)c1)Cc1ccc(O)cc1 ZINC000739396093 578051997 /nfs/dbraw/zinc/05/19/97/578051997.db2.gz CHMWBFSXNZBMRA-GFCCVEGCSA-N -1 1 349.770 2.425 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000735670231 578163070 /nfs/dbraw/zinc/16/30/70/578163070.db2.gz JXRNOEVIIULYJI-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000735670231 578163071 /nfs/dbraw/zinc/16/30/71/578163071.db2.gz JXRNOEVIIULYJI-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CCCCOC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000736462043 578205678 /nfs/dbraw/zinc/20/56/78/578205678.db2.gz ZHHFLUBHOSUHSN-SECBINFHSA-N -1 1 336.421 2.097 20 0 EEADMM CN(C)c1c(Cl)cccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736770847 578222669 /nfs/dbraw/zinc/22/26/69/578222669.db2.gz SIGCVZSXXXDCTQ-UHFFFAOYSA-N -1 1 349.826 2.331 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736816452 578225386 /nfs/dbraw/zinc/22/53/86/578225386.db2.gz HTMMGKIEFFBGSM-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736816452 578225387 /nfs/dbraw/zinc/22/53/87/578225387.db2.gz HTMMGKIEFFBGSM-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccco1 ZINC000737085696 578237261 /nfs/dbraw/zinc/23/72/61/578237261.db2.gz QSCKVCOOGBFBHG-AWEZNQCLSA-N -1 1 337.420 2.169 20 0 EEADMM COc1ccccc1OCCCNc1cccc(-c2nnn[n-]2)n1 ZINC000737151001 578240935 /nfs/dbraw/zinc/24/09/35/578240935.db2.gz DIHCJAZEVQKHLG-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM COc1ccccc1OCCCNc1cccc(-c2nn[n-]n2)n1 ZINC000737151001 578240936 /nfs/dbraw/zinc/24/09/36/578240936.db2.gz DIHCJAZEVQKHLG-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM CSCc1cccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000737187429 578242840 /nfs/dbraw/zinc/24/28/40/578242840.db2.gz RRUVCIANKCXPHA-UHFFFAOYSA-N -1 1 332.433 2.474 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737383588 578254050 /nfs/dbraw/zinc/25/40/50/578254050.db2.gz CBKGBWCPDGBDNI-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737383588 578254051 /nfs/dbraw/zinc/25/40/51/578254051.db2.gz CBKGBWCPDGBDNI-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM O[C@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000823674922 599086963 /nfs/dbraw/zinc/08/69/63/599086963.db2.gz UCXBRLOBQKKKLQ-OAHLLOKOSA-N -1 1 347.382 2.346 20 0 EEADMM O[C@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000823674922 599086965 /nfs/dbraw/zinc/08/69/65/599086965.db2.gz UCXBRLOBQKKKLQ-OAHLLOKOSA-N -1 1 347.382 2.346 20 0 EEADMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821066648 599119259 /nfs/dbraw/zinc/11/92/59/599119259.db2.gz VPGUUDPZKMPPJP-OAHLLOKOSA-N -1 1 344.419 2.393 20 0 EEADMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821066648 599119260 /nfs/dbraw/zinc/11/92/60/599119260.db2.gz VPGUUDPZKMPPJP-OAHLLOKOSA-N -1 1 344.419 2.393 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821449389 599212231 /nfs/dbraw/zinc/21/22/31/599212231.db2.gz SSQABXDCAVFZCK-VXGBXAGGSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821449389 599212232 /nfs/dbraw/zinc/21/22/32/599212232.db2.gz SSQABXDCAVFZCK-VXGBXAGGSA-N -1 1 332.433 2.008 20 0 EEADMM C[S@](=O)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821943207 607318773 /nfs/dbraw/zinc/31/87/73/607318773.db2.gz ULZGVRNYWFIFPF-QFIPXVFZSA-N -1 1 337.405 2.417 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000820897986 607319098 /nfs/dbraw/zinc/31/90/98/607319098.db2.gz RMGVMRPOCOFPJF-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000820897986 607319099 /nfs/dbraw/zinc/31/90/99/607319099.db2.gz RMGVMRPOCOFPJF-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM Cc1cccc2nc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)[nH]c21 ZINC000821116762 598059065 /nfs/dbraw/zinc/05/90/65/598059065.db2.gz OLHBMMGYRNMCCV-GFCCVEGCSA-N -1 1 330.388 2.268 20 0 EEADMM CN(CC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821593925 599342113 /nfs/dbraw/zinc/34/21/13/599342113.db2.gz QILCQOCCMQLGFC-UHFFFAOYSA-N -1 1 343.840 2.187 20 0 EEADMM Cn1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000822674121 599527276 /nfs/dbraw/zinc/52/72/76/599527276.db2.gz LQIUEQBQHFVSPZ-MRXNPFEDSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000822674121 599527278 /nfs/dbraw/zinc/52/72/78/599527278.db2.gz LQIUEQBQHFVSPZ-MRXNPFEDSA-N -1 1 346.398 2.490 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H](C(F)(F)F)O1 ZINC000820776742 599687951 /nfs/dbraw/zinc/68/79/51/599687951.db2.gz NCBCVPUNLZEPSW-XPUUQOCRSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H](C(F)(F)F)O1 ZINC000820776742 599687952 /nfs/dbraw/zinc/68/79/52/599687952.db2.gz NCBCVPUNLZEPSW-XPUUQOCRSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@H](NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000405360187 600307276 /nfs/dbraw/zinc/30/72/76/600307276.db2.gz NNULHPSFMGYGRG-SWLSCSKDSA-N -1 1 334.391 2.190 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)s1 ZINC000238017516 600833296 /nfs/dbraw/zinc/83/32/96/600833296.db2.gz PYGGTKQVPKMYRK-UHFFFAOYSA-N -1 1 333.344 2.434 20 0 EEADMM O=C([O-])CN(C(=O)CSc1n[nH]c(=S)s1)c1ccccc1 ZINC000819507476 601287977 /nfs/dbraw/zinc/28/79/77/601287977.db2.gz DSAAHVPOIRWNHG-UHFFFAOYSA-N -1 1 341.439 2.037 20 0 EEADMM Cc1cc(C)cc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832879038 601338295 /nfs/dbraw/zinc/33/82/95/601338295.db2.gz OXOIQUKZXNYOIC-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM CN(C)Cc1ccsc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000830623773 601559059 /nfs/dbraw/zinc/55/90/59/601559059.db2.gz JJQWLKDGEKAGBA-CQSZACIVSA-N -1 1 332.425 2.408 20 0 EEADMM Cc1cc(CC(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)n[nH]1 ZINC000832884022 601610225 /nfs/dbraw/zinc/61/02/25/601610225.db2.gz SONBCUSVWHQQNI-UHFFFAOYSA-N -1 1 338.747 2.234 20 0 EEADMM Fc1ccc2c(c1F)CN(Cc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC000826375846 607517811 /nfs/dbraw/zinc/51/78/11/607517811.db2.gz DUKDPMMDJDEAHJ-UHFFFAOYSA-N -1 1 328.326 2.098 20 0 EEADMM Fc1ccc2c(c1F)CN(Cc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC000826375846 607517813 /nfs/dbraw/zinc/51/78/13/607517813.db2.gz DUKDPMMDJDEAHJ-UHFFFAOYSA-N -1 1 328.326 2.098 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c(Cl)c1 ZINC000832955789 601784865 /nfs/dbraw/zinc/78/48/65/601784865.db2.gz HAAXSMNXBUZSRB-UHFFFAOYSA-N -1 1 328.777 2.486 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N1CCSC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000827622947 601924807 /nfs/dbraw/zinc/92/48/07/601924807.db2.gz TVVMLNSSKBIADP-YDHLFZDLSA-N -1 1 336.457 2.144 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832368259 601951451 /nfs/dbraw/zinc/95/14/51/601951451.db2.gz YKSYFUVQQLOWOU-MGPLVRAMSA-N -1 1 340.807 2.472 20 0 EEADMM COc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c(C(=O)[O-])cc1OC ZINC000832016476 602019093 /nfs/dbraw/zinc/01/90/93/602019093.db2.gz DARFNOSDPLDARH-SECBINFHSA-N -1 1 345.355 2.184 20 0 EEADMM CCOC(=O)c1cccnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825565367 607550467 /nfs/dbraw/zinc/55/04/67/607550467.db2.gz SEJUNSLOLSQQOZ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM CCOC(=O)c1cccnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825565367 607550468 /nfs/dbraw/zinc/55/04/68/607550468.db2.gz SEJUNSLOLSQQOZ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833049753 602377927 /nfs/dbraw/zinc/37/79/27/602377927.db2.gz GDQUSCOAWNXTTM-CQSZACIVSA-N -1 1 342.399 2.119 20 0 EEADMM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825061938 607597431 /nfs/dbraw/zinc/59/74/31/607597431.db2.gz ZTSSGOCBKGSOKE-DTWKUNHWSA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825061938 607597432 /nfs/dbraw/zinc/59/74/32/607597432.db2.gz ZTSSGOCBKGSOKE-DTWKUNHWSA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825061939 607597724 /nfs/dbraw/zinc/59/77/24/607597724.db2.gz ZTSSGOCBKGSOKE-IUCAKERBSA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825061939 607597725 /nfs/dbraw/zinc/59/77/25/607597725.db2.gz ZTSSGOCBKGSOKE-IUCAKERBSA-N -1 1 343.840 2.233 20 0 EEADMM Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc(C)c1OCC(=O)[O-] ZINC000832862747 604426158 /nfs/dbraw/zinc/42/61/58/604426158.db2.gz DUDFXJZDZCYPNE-AWEZNQCLSA-N -1 1 343.383 2.297 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@H]1C ZINC000833658772 604604070 /nfs/dbraw/zinc/60/40/70/604604070.db2.gz VGSUHCUKWFWFPL-KGLIPLIRSA-N -1 1 333.432 2.051 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@@H]1C(=O)[O-] ZINC000828464892 604675554 /nfs/dbraw/zinc/67/55/54/604675554.db2.gz VZNKGLLLSHSFPR-CBAPKCEASA-N -1 1 341.289 2.306 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccco1 ZINC000829666709 604675753 /nfs/dbraw/zinc/67/57/53/604675753.db2.gz PWWLZJJNFNNUHA-KGLIPLIRSA-N -1 1 337.420 2.311 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc2ccccc2o1 ZINC000833624935 605046111 /nfs/dbraw/zinc/04/61/11/605046111.db2.gz MBPOAMRLOOGWEE-CYBMUJFWSA-N -1 1 345.399 2.123 20 0 EEADMM O=C([O-])c1occc1CNCc1ccccc1CN1CCCC1=O ZINC000833785080 605057323 /nfs/dbraw/zinc/05/73/23/605057323.db2.gz BZHDBHYRCCGNPA-UHFFFAOYSA-N -1 1 328.368 2.390 20 0 EEADMM CCc1nc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n[nH]1 ZINC000833675142 605072566 /nfs/dbraw/zinc/07/25/66/605072566.db2.gz YKWSBWDPIKUSJM-UWVGGRQHSA-N -1 1 348.428 2.423 20 0 EEADMM O=C([O-])c1occc1CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000833785104 605086350 /nfs/dbraw/zinc/08/63/50/605086350.db2.gz DJXJTEUTADWLHW-HNNXBMFYSA-N -1 1 344.367 2.385 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2cncc(C(=O)[O-])c2)N2CCCC2)o1 ZINC000833748517 605109417 /nfs/dbraw/zinc/10/94/17/605109417.db2.gz BSXPZZUIRICACX-OAHLLOKOSA-N -1 1 343.383 2.248 20 0 EEADMM C[C@H]1CN(C(=O)[C@@]2(C)CCCc3ccccc32)CCN1CCC(=O)[O-] ZINC000833618822 605277068 /nfs/dbraw/zinc/27/70/68/605277068.db2.gz QZPNDJIUWMLNON-YWZLYKJASA-N -1 1 344.455 2.288 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000833730636 605596758 /nfs/dbraw/zinc/59/67/58/605596758.db2.gz KPKBWELWSWWCDH-HIFRSBDPSA-N -1 1 336.432 2.270 20 0 EEADMM C[C@H](CN(CN1C[C@H](Cc2ccccc2)OC1=O)C1CC1)C(=O)[O-] ZINC000833516693 605786451 /nfs/dbraw/zinc/78/64/51/605786451.db2.gz SVAILFOTKILPMU-CJNGLKHVSA-N -1 1 332.400 2.193 20 0 EEADMM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833760588 605842031 /nfs/dbraw/zinc/84/20/31/605842031.db2.gz QINVZBCQLDCLCK-MRXNPFEDSA-N -1 1 347.390 2.203 20 0 EEADMM Cn1c(CCCNc2cccc(-c3nnn[n-]3)n2)nc2ccccc21 ZINC000822596889 606223474 /nfs/dbraw/zinc/22/34/74/606223474.db2.gz XZRXUXNROGFIET-UHFFFAOYSA-N -1 1 334.387 2.193 20 0 EEADMM Cn1c(CCCNc2cccc(-c3nn[n-]n3)n2)nc2ccccc21 ZINC000822596889 606223475 /nfs/dbraw/zinc/22/34/75/606223475.db2.gz XZRXUXNROGFIET-UHFFFAOYSA-N -1 1 334.387 2.193 20 0 EEADMM C[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623786 606243244 /nfs/dbraw/zinc/24/32/44/606243244.db2.gz YPGSRXKVVRVNOD-JMCQJSRRSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623786 606243247 /nfs/dbraw/zinc/24/32/47/606243247.db2.gz YPGSRXKVVRVNOD-JMCQJSRRSA-N -1 1 328.829 2.330 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1coc(-c2ccccc2)n1 ZINC000823294518 606293522 /nfs/dbraw/zinc/29/35/22/606293522.db2.gz FKPWHZSKAKQTNG-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM CCC[C@@H]1C[C@@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821034338 606459867 /nfs/dbraw/zinc/45/98/67/606459867.db2.gz KQNIKHIIYHSIMJ-NEPJUHHUSA-N -1 1 340.387 2.477 20 0 EEADMM CCC[C@@H]1C[C@@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821034338 606459868 /nfs/dbraw/zinc/45/98/68/606459868.db2.gz KQNIKHIIYHSIMJ-NEPJUHHUSA-N -1 1 340.387 2.477 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823375584 606537147 /nfs/dbraw/zinc/53/71/47/606537147.db2.gz AHQYEKGAGBLLCC-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823375584 606537149 /nfs/dbraw/zinc/53/71/49/606537149.db2.gz AHQYEKGAGBLLCC-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(OC2CCCC2)CC1 ZINC000823483153 606543573 /nfs/dbraw/zinc/54/35/73/606543573.db2.gz DHECUEBOHLZASX-UHFFFAOYSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(OC2CCCC2)CC1 ZINC000823483153 606543576 /nfs/dbraw/zinc/54/35/76/606543576.db2.gz DHECUEBOHLZASX-UHFFFAOYSA-N -1 1 347.444 2.492 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821360279 606572872 /nfs/dbraw/zinc/57/28/72/606572872.db2.gz QIZWHEYZGBBMSN-VXGBXAGGSA-N -1 1 333.417 2.006 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821360279 606572874 /nfs/dbraw/zinc/57/28/74/606572874.db2.gz QIZWHEYZGBBMSN-VXGBXAGGSA-N -1 1 333.417 2.006 20 0 EEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821787316 606653518 /nfs/dbraw/zinc/65/35/18/606653518.db2.gz RHGITNWIGGBXFK-DAXSKMNVSA-N -1 1 337.339 2.027 20 0 EEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821787316 606653519 /nfs/dbraw/zinc/65/35/19/606653519.db2.gz RHGITNWIGGBXFK-DAXSKMNVSA-N -1 1 337.339 2.027 20 0 EEADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000820333451 606654869 /nfs/dbraw/zinc/65/48/69/606654869.db2.gz CCJADLSIVKYSIQ-LBPRGKRZSA-N -1 1 347.382 2.094 20 0 EEADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000820333451 606654870 /nfs/dbraw/zinc/65/48/70/606654870.db2.gz CCJADLSIVKYSIQ-LBPRGKRZSA-N -1 1 347.382 2.094 20 0 EEADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(-c2ccccc2)n1 ZINC000820432053 606741471 /nfs/dbraw/zinc/74/14/71/606741471.db2.gz LNOGJQNQPQHNRH-JTQLQIEISA-N -1 1 337.343 2.361 20 0 EEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(-c2ccccc2)n1 ZINC000820432053 606741474 /nfs/dbraw/zinc/74/14/74/606741474.db2.gz LNOGJQNQPQHNRH-JTQLQIEISA-N -1 1 337.343 2.361 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(OC(F)F)cc1 ZINC000823380220 607025198 /nfs/dbraw/zinc/02/51/98/607025198.db2.gz SPINGTLAOTWVDA-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(OC(F)F)cc1 ZINC000823380220 607025200 /nfs/dbraw/zinc/02/52/00/607025200.db2.gz SPINGTLAOTWVDA-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM Oc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1Br ZINC000823731883 607043978 /nfs/dbraw/zinc/04/39/78/607043978.db2.gz GZODAMOCWBYXHV-UHFFFAOYSA-N -1 1 347.176 2.342 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](c2ccsc2)O1 ZINC000820774307 607115811 /nfs/dbraw/zinc/11/58/11/607115811.db2.gz AJPCERICYCAEPU-GWCFXTLKSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](c2ccsc2)O1 ZINC000820774307 607115812 /nfs/dbraw/zinc/11/58/12/607115812.db2.gz AJPCERICYCAEPU-GWCFXTLKSA-N -1 1 328.401 2.290 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826403579 607960414 /nfs/dbraw/zinc/96/04/14/607960414.db2.gz WJNIROMATMNZEM-OWOJBTEDSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826403579 607960415 /nfs/dbraw/zinc/96/04/15/607960415.db2.gz WJNIROMATMNZEM-OWOJBTEDSA-N -1 1 342.746 2.067 20 0 EEADMM CCn1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1Cl ZINC000825807199 607997342 /nfs/dbraw/zinc/99/73/42/607997342.db2.gz OEUBQALNTLGITC-UHFFFAOYSA-N -1 1 347.766 2.003 20 0 EEADMM CCOC(=O)c1oc2ccccc2c1Cn1ccnc1-c1nnn[n-]1 ZINC000825576544 608012887 /nfs/dbraw/zinc/01/28/87/608012887.db2.gz KBXHMIDMYHPEGR-UHFFFAOYSA-N -1 1 338.327 2.034 20 0 EEADMM CCOC(=O)c1oc2ccccc2c1Cn1ccnc1-c1nn[n-]n1 ZINC000825576544 608012888 /nfs/dbraw/zinc/01/28/88/608012888.db2.gz KBXHMIDMYHPEGR-UHFFFAOYSA-N -1 1 338.327 2.034 20 0 EEADMM CC(C)(C)OC(=O)CCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000824100479 608145949 /nfs/dbraw/zinc/14/59/49/608145949.db2.gz QVJKMBMHPAMDSQ-UHFFFAOYSA-N -1 1 338.389 2.207 20 0 EEADMM COc1cc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1O ZINC000826179136 608234321 /nfs/dbraw/zinc/23/43/21/608234321.db2.gz AJOCXAWFBJHPIZ-UHFFFAOYSA-N -1 1 346.778 2.266 20 0 EEADMM COc1cc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1O ZINC000826179136 608234323 /nfs/dbraw/zinc/23/43/23/608234323.db2.gz AJOCXAWFBJHPIZ-UHFFFAOYSA-N -1 1 346.778 2.266 20 0 EEADMM C[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cn1cccn1 ZINC000824429041 608367763 /nfs/dbraw/zinc/36/77/63/608367763.db2.gz VLXOCQRCUWSANX-GFCCVEGCSA-N -1 1 334.387 2.360 20 0 EEADMM C[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cn1cccn1 ZINC000824429041 608367765 /nfs/dbraw/zinc/36/77/65/608367765.db2.gz VLXOCQRCUWSANX-GFCCVEGCSA-N -1 1 334.387 2.360 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582420 608427979 /nfs/dbraw/zinc/42/79/79/608427979.db2.gz KTQSPXPPQHCAJZ-UONOGXRCSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582420 608427980 /nfs/dbraw/zinc/42/79/80/608427980.db2.gz KTQSPXPPQHCAJZ-UONOGXRCSA-N -1 1 343.435 2.221 20 0 EEADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc2ccccc2s1 ZINC000826502709 608431957 /nfs/dbraw/zinc/43/19/57/608431957.db2.gz JBOYXAFLHWHEPX-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc2ccccc2s1 ZINC000826502709 608431958 /nfs/dbraw/zinc/43/19/58/608431958.db2.gz JBOYXAFLHWHEPX-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM CO[C@@H]1[C@H](C)[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000826145042 608587712 /nfs/dbraw/zinc/58/77/12/608587712.db2.gz XYFKMDAXBCPZHT-LPBLVHEISA-N -1 1 328.829 2.448 20 0 EEADMM CO[C@@H]1[C@H](C)[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000826145042 608587714 /nfs/dbraw/zinc/58/77/14/608587714.db2.gz XYFKMDAXBCPZHT-LPBLVHEISA-N -1 1 328.829 2.448 20 0 EEADMM CCc1nc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000825745136 608663060 /nfs/dbraw/zinc/66/30/60/608663060.db2.gz IPWVKDKQTVSRTI-SNVBAGLBSA-N -1 1 331.405 2.211 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(-c2ccccc2)cc1 ZINC000826424993 608893650 /nfs/dbraw/zinc/89/36/50/608893650.db2.gz LPQRMAMTIAXGNV-UHFFFAOYSA-N -1 1 345.366 2.369 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(-c2ccccc2)cc1 ZINC000826424993 608893651 /nfs/dbraw/zinc/89/36/51/608893651.db2.gz LPQRMAMTIAXGNV-UHFFFAOYSA-N -1 1 345.366 2.369 20 0 EEADMM CC(C)[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824190903 609287121 /nfs/dbraw/zinc/28/71/21/609287121.db2.gz BMVIJUUUUJOTQN-SNVBAGLBSA-N -1 1 343.366 2.422 20 0 EEADMM C[C@@H]1C[C@@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824885586 609596180 /nfs/dbraw/zinc/59/61/80/609596180.db2.gz SYXTZHIPPPZYQL-NEPJUHHUSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@@H]1C[C@@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824885586 609596182 /nfs/dbraw/zinc/59/61/82/609596182.db2.gz SYXTZHIPPPZYQL-NEPJUHHUSA-N -1 1 339.403 2.427 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)[C@@H](C)C2 ZINC000826294221 609602907 /nfs/dbraw/zinc/60/29/07/609602907.db2.gz MEIDHQXRTXCAOG-MEDUHNTESA-N -1 1 334.383 2.233 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)[C@@H](C)C2 ZINC000826294221 609602909 /nfs/dbraw/zinc/60/29/09/609602909.db2.gz MEIDHQXRTXCAOG-MEDUHNTESA-N -1 1 334.383 2.233 20 0 EEADMM CC[C@H]1c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000890609579 675090579 /nfs/dbraw/zinc/09/05/79/675090579.db2.gz KJAZISDVONKECX-ZDUSSCGKSA-N -1 1 334.397 2.295 20 0 EEADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001021368826 676017192 /nfs/dbraw/zinc/01/71/92/676017192.db2.gz WPBAVCCGZLSXKX-AGUYFDCRSA-N -1 1 347.463 2.092 20 0 EEADMM Cc1nc(CN(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)sc1C ZINC000971395978 676521385 /nfs/dbraw/zinc/52/13/85/676521385.db2.gz ZJLYKQQBJVSXAO-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM COc1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000891618325 676726414 /nfs/dbraw/zinc/72/64/14/676726414.db2.gz OZRNGPMXVYEJON-UHFFFAOYSA-N -1 1 334.763 2.370 20 0 EEADMM C[C@H](Oc1ccccc1F)C(=O)N[N-]C(=O)c1cc(F)ccc1F ZINC000022635419 676777062 /nfs/dbraw/zinc/77/70/62/676777062.db2.gz FQLIFHZTVIPWQO-VIFPVBQESA-N -1 1 338.285 2.332 20 0 EEADMM O=C(N[C@H]1C=CCC1)c1ccc(I)c([O-])c1 ZINC000829342019 679072604 /nfs/dbraw/zinc/07/26/04/679072604.db2.gz GKZJGZJJNYRJRW-VIFPVBQESA-N -1 1 329.137 2.445 20 0 EEADMM CC1CCC(N2C[C@H](C(=O)[N-]OCc3ccccn3)CC2=O)CC1 ZINC000909535917 685302870 /nfs/dbraw/zinc/30/28/70/685302870.db2.gz ZYDJLBPBCOAZNU-NPCAHTBFSA-N -1 1 331.416 2.057 20 0 EEADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909404200 681360349 /nfs/dbraw/zinc/36/03/49/681360349.db2.gz YEICDUNUDDYKSZ-LSDHHAIUSA-N -1 1 348.443 2.448 20 0 EEADMM O=C(NC[C@H]1CCN(C/C(Cl)=C/Cl)C1)c1ncccc1[O-] ZINC001028500793 681666762 /nfs/dbraw/zinc/66/67/62/681666762.db2.gz RWIWPGALAVYRQX-CHPNCVJKSA-N -1 1 330.215 2.158 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000937216604 681696891 /nfs/dbraw/zinc/69/68/91/681696891.db2.gz HRUVTISCKJTRCB-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000937217857 681718931 /nfs/dbraw/zinc/71/89/31/681718931.db2.gz YJDQZBUUTJLCBV-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)n1c(CNC(=O)c2c[nH]nc2-c2cccnc2)n[n-]c1=S ZINC000066640163 681779355 /nfs/dbraw/zinc/77/93/55/681779355.db2.gz RJVBKTDBSOPFIA-UHFFFAOYSA-N -1 1 343.416 2.237 20 0 EEADMM CC1(C)CC(CC(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000983155165 681910843 /nfs/dbraw/zinc/91/08/43/681910843.db2.gz LTXQKJJSLBBCHZ-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM CC1(C)CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000982674674 682003177 /nfs/dbraw/zinc/00/31/77/682003177.db2.gz XHYDNVMCERLQJA-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)C[C@@H](C)c1ccccc1 ZINC000163689236 682121139 /nfs/dbraw/zinc/12/11/39/682121139.db2.gz APBLAHMHZRPZHA-GFCCVEGCSA-N -1 1 340.383 2.006 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000007412125 685562856 /nfs/dbraw/zinc/56/28/56/685562856.db2.gz YOYDEQHORFULDM-UHFFFAOYSA-N -1 1 330.340 2.220 20 0 EEADMM CC1(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000983576504 682885035 /nfs/dbraw/zinc/88/50/35/682885035.db2.gz ZKQMKWSFFFFWIL-QWHCGFSZSA-N -1 1 331.416 2.135 20 0 EEADMM CCCC(=O)N1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@@H]1C ZINC001012185627 682890406 /nfs/dbraw/zinc/89/04/06/682890406.db2.gz IMAYMXBNIKUTEO-AAEUAGOBSA-N -1 1 348.447 2.133 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC000983584706 682900052 /nfs/dbraw/zinc/90/00/52/682900052.db2.gz JRVGVZPPPPCADR-OLZOCXBDSA-N -1 1 349.406 2.227 20 0 EEADMM COCc1nc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc(=O)[n-]1 ZINC000892845308 683130227 /nfs/dbraw/zinc/13/02/27/683130227.db2.gz ONYGPMAFCCUQQE-GFCCVEGCSA-N -1 1 348.790 2.199 20 0 EEADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)o1 ZINC000914248141 683422535 /nfs/dbraw/zinc/42/25/35/683422535.db2.gz PHSLGIHQOFUEEZ-VIFPVBQESA-N -1 1 343.380 2.344 20 0 EEADMM COCC[C@@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(C)o1 ZINC000914337818 683514278 /nfs/dbraw/zinc/51/42/78/683514278.db2.gz NOXKXGCOVBSKPQ-SNVBAGLBSA-N -1 1 346.430 2.109 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000893005753 683533135 /nfs/dbraw/zinc/53/31/35/683533135.db2.gz RRICEARQBGZSJU-ABAIWWIYSA-N -1 1 343.383 2.063 20 0 EEADMM CCCC(=O)NCc1ccccc1CN(C)C(=O)c1ncccc1[O-] ZINC001060474063 683562730 /nfs/dbraw/zinc/56/27/30/683562730.db2.gz KWODCRAZBYFINR-UHFFFAOYSA-N -1 1 341.411 2.476 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(SC)cc2)o1 ZINC000042263937 693835884 /nfs/dbraw/zinc/83/58/84/693835884.db2.gz IDBPQLFINBWDOS-UHFFFAOYSA-N -1 1 341.410 2.267 20 0 EEADMM CCC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057368 684270746 /nfs/dbraw/zinc/27/07/46/684270746.db2.gz PPTQMDUSAYTMEP-BYNSBNAKSA-N -1 1 345.443 2.381 20 0 EEADMM O=C([N-]NC(=O)[C@H](O)C1CCCCC1)c1ccc(Cl)cc1F ZINC000188278119 684357702 /nfs/dbraw/zinc/35/77/02/684357702.db2.gz PQAIWKBAFRJXNJ-CYBMUJFWSA-N -1 1 328.771 2.181 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984396212 684495428 /nfs/dbraw/zinc/49/54/28/684495428.db2.gz XPEJTWBFSRQWQS-UONOGXRCSA-N -1 1 331.416 2.087 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)[C@H]1C[C@H]1C ZINC000936411593 684645311 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CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000903099773 694200215 /nfs/dbraw/zinc/20/02/15/694200215.db2.gz AGDPDKVJAINSMS-UHFFFAOYSA-N -1 1 327.431 2.399 20 0 EEADMM O=C(CC1CC1)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986830198 688985406 /nfs/dbraw/zinc/98/54/06/688985406.db2.gz MGOMBQGNBIHUBH-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029993079 689104706 /nfs/dbraw/zinc/10/47/06/689104706.db2.gz SVXITBFVXQUPRX-HUUCEWRRSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000263329819 689685299 /nfs/dbraw/zinc/68/52/99/689685299.db2.gz LGYYYXVTEFRJHD-QWRGUYRKSA-N -1 1 331.347 2.399 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1CC(C)(C)C1 ZINC000987689129 689934420 /nfs/dbraw/zinc/93/44/20/689934420.db2.gz SVNHAJXTCVDISV-OCCSQVGLSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCCC1(C)C ZINC000987689959 689935595 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EEADMM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cc1 ZINC001275906293 1205581453 /nfs/dbraw/zinc/58/14/53/1205581453.db2.gz DRVZMZRCCXJESD-IYBDPMFKSA-N -1 1 331.416 2.151 20 0 EEADMM Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001412003134 1205620463 /nfs/dbraw/zinc/62/04/63/1205620463.db2.gz OQBSBEWTJDJNNI-MRXNPFEDSA-N -1 1 328.343 2.153 20 0 EEADMM Cc1cc(CN2CC3(C2)CN(Cc2ccc([O-])c(F)c2F)C3)n(C)n1 ZINC001276154815 1205803107 /nfs/dbraw/zinc/80/31/07/1205803107.db2.gz HTKRWFYNDWJBBA-UHFFFAOYSA-N -1 1 348.397 2.030 20 0 EEADMM C[C@H]1[C@H](NC(=O)C2CC3(CC3)C2)CCCN1C(=O)c1ncccc1[O-] ZINC001015210841 1224919160 /nfs/dbraw/zinc/91/91/60/1224919160.db2.gz ADLXCSJGGDGCNW-GXTWGEPZSA-N -1 1 343.427 2.087 20 0 EEADMM CCC[C@](C)(NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000780359397 1206223579 /nfs/dbraw/zinc/22/35/79/1206223579.db2.gz LTVAZEKJLINUGJ-PBHICJAKSA-N -1 1 339.411 2.371 20 0 EEADMM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000928725573 1206416265 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CCC[C@](C)(NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)C(=O)[O-] ZINC000780479918 1208349908 /nfs/dbraw/zinc/34/99/08/1208349908.db2.gz FMQGCSOKYRGECR-KUHUBIRLSA-N -1 1 347.459 2.376 20 0 EEADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC000778777309 1208353601 /nfs/dbraw/zinc/35/36/01/1208353601.db2.gz GUFWYWAASKHCBT-KRWDZBQOSA-N -1 1 335.404 2.210 20 0 EEADMM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([O-])cc1O ZINC000052181319 1208429215 /nfs/dbraw/zinc/42/92/15/1208429215.db2.gz XNJFPBAEVCNVOX-UHFFFAOYSA-N -1 1 335.243 2.185 20 0 EEADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000948350874 1209074427 /nfs/dbraw/zinc/07/44/27/1209074427.db2.gz FJQOAKCAMUFNMI-DGCLKSJQSA-N -1 1 347.390 2.162 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C(C)(C)C ZINC000948383897 1209104928 /nfs/dbraw/zinc/10/49/28/1209104928.db2.gz FNEHIGFHUBUTJT-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM N#C[C@@H](C(=O)C1=COCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000076767519 1209365771 /nfs/dbraw/zinc/36/57/71/1209365771.db2.gz BUJGQZXWXZIGKT-NSHDSACASA-N -1 1 341.392 2.344 20 0 EEADMM O=C(NC[C@@H]1CCN1C(=O)[C@H]1CCCC2(CC2)C1)c1ncccc1[O-] ZINC000949538173 1209732463 /nfs/dbraw/zinc/73/24/63/1209732463.db2.gz GYZLWYPPCYNELL-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(CC1CCCC1)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000950539736 1210266875 /nfs/dbraw/zinc/26/68/75/1210266875.db2.gz WDYRFTFRAHQGMF-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1sccc1F ZINC000950542812 1210267727 /nfs/dbraw/zinc/26/77/27/1210267727.db2.gz KDGWRBAIVGWJIY-JTQLQIEISA-N -1 1 349.387 2.022 20 0 EEADMM CC[C@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(Cl)c1 ZINC000079485082 1210594714 /nfs/dbraw/zinc/59/47/14/1210594714.db2.gz XDYNWFMXMONIDH-QWRGUYRKSA-N -1 1 325.821 2.254 20 0 EEADMM CC(C)n1ccc(CC(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)n1 ZINC000080073949 1210789270 /nfs/dbraw/zinc/78/92/70/1210789270.db2.gz JRWUOTGCYOBKOJ-UHFFFAOYSA-N -1 1 348.476 2.204 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1)c1ncccc1[O-] ZINC000951683733 1210966532 /nfs/dbraw/zinc/96/65/32/1210966532.db2.gz ABQRNXJSIHDKGK-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000952088745 1211215760 /nfs/dbraw/zinc/21/57/60/1211215760.db2.gz XUXFVWGXFIUUIJ-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM COC[C@@H](C)CNC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000194654022 1211254000 /nfs/dbraw/zinc/25/40/00/1211254000.db2.gz KEQDKJABIQXGBB-JTQLQIEISA-N -1 1 340.474 2.458 20 0 EEADMM O=C(CC1CC1)N1CC[C@@]2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC000952827093 1211593127 /nfs/dbraw/zinc/59/31/27/1211593127.db2.gz YCHDQYJKNMIJQK-LJQANCHMSA-N -1 1 343.427 2.042 20 0 EEADMM CC[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC000952847780 1211601170 /nfs/dbraw/zinc/60/11/70/1211601170.db2.gz ZWUNMKMSAPHRNK-KUHUBIRLSA-N -1 1 345.443 2.288 20 0 EEADMM CCC1(C(=O)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)CC1 ZINC000953887823 1212189381 /nfs/dbraw/zinc/18/93/81/1212189381.db2.gz DSPBQJBHGQXRDY-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cccc(C)c1C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954127765 1212476884 /nfs/dbraw/zinc/47/68/84/1212476884.db2.gz GBIDVDCPNPUSMG-UHFFFAOYSA-N -1 1 339.395 2.001 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)o1 ZINC001012509616 1225395209 /nfs/dbraw/zinc/39/52/09/1225395209.db2.gz ITCCVANTTUQEPS-DGCLKSJQSA-N -1 1 343.383 2.030 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)o1 ZINC000955529591 1213140550 /nfs/dbraw/zinc/14/05/50/1213140550.db2.gz LCWCATLPZUZWQB-DGCLKSJQSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955648031 1213234058 /nfs/dbraw/zinc/23/40/58/1213234058.db2.gz CZJRLCGCPLHDGI-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2cnn[nH]2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC000955717744 1213291820 /nfs/dbraw/zinc/29/18/20/1213291820.db2.gz OFZJUHYFOMYQTD-TZMCWYRMSA-N -1 1 347.463 2.130 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)[n-]1 ZINC000796346878 1213855943 /nfs/dbraw/zinc/85/59/43/1213855943.db2.gz WBTFDGGHULGCAW-VIFPVBQESA-N -1 1 341.323 2.368 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(F)cc2)[n-]1 ZINC000796363284 1213888995 /nfs/dbraw/zinc/88/89/95/1213888995.db2.gz SPWDVMXGMZIOET-CYBMUJFWSA-N -1 1 335.287 2.012 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000959036872 1214083139 /nfs/dbraw/zinc/08/31/39/1214083139.db2.gz ACEKRKCQCXUAJN-VXGBXAGGSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000956850145 1214526582 /nfs/dbraw/zinc/52/65/82/1214526582.db2.gz GHXDZIOWHLQCGU-FZKQIMNGSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000959452678 1214680296 /nfs/dbraw/zinc/68/02/96/1214680296.db2.gz FHRRESOQDJPBNP-OCCSQVGLSA-N -1 1 345.443 2.048 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc2c(c1)N(C(N)=O)CCC2 ZINC001412917381 1216111533 /nfs/dbraw/zinc/11/15/33/1216111533.db2.gz MONGJOZDSDUZDB-UHFFFAOYSA-N -1 1 341.367 2.484 20 0 EEADMM Cc1nc(CNC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])oc1C ZINC000959973536 1216272770 /nfs/dbraw/zinc/27/27/70/1216272770.db2.gz KPMMXKAKQKZSRC-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963698660 1217975804 /nfs/dbraw/zinc/97/58/04/1217975804.db2.gz HEOSNTQJAXGENS-HIFRSBDPSA-N -1 1 345.443 2.190 20 0 EEADMM CC1CC(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ncccc3[O-])CC2)C1 ZINC000963951629 1218148068 /nfs/dbraw/zinc/14/80/68/1218148068.db2.gz BQQSOJOKTJVROI-MDPANVJJSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC000964850176 1218673577 /nfs/dbraw/zinc/67/35/77/1218673577.db2.gz RIOQBHSYZFOOBY-GFCCVEGCSA-N -1 1 335.379 2.162 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccsc3)CC[C@@H]2C)c1[O-] ZINC000965917721 1219356740 /nfs/dbraw/zinc/35/67/40/1219356740.db2.gz ZYBFEEYALCIJFI-GWCFXTLKSA-N -1 1 334.445 2.126 20 0 EEADMM Cc1cc(CN2CC[C@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)sn1 ZINC000965941728 1219383283 /nfs/dbraw/zinc/38/32/83/1219383283.db2.gz SYGNGKAYYHCIAY-SMDDNHRTSA-N -1 1 346.456 2.193 20 0 EEADMM C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000966110363 1219523877 /nfs/dbraw/zinc/52/38/77/1219523877.db2.gz NICGBTLWOBUBKU-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cscc1C(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000966281122 1219642705 /nfs/dbraw/zinc/64/27/05/1219642705.db2.gz NAKUCSHEDXJRLT-GXFFZTMASA-N -1 1 345.424 2.048 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C(F)=C1CCCC1 ZINC000966348894 1219694713 /nfs/dbraw/zinc/69/47/13/1219694713.db2.gz NBJJRBKJBMBCSE-WCQYABFASA-N -1 1 347.390 2.162 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)CC1CC(C)(C)C1 ZINC001013747834 1225915006 /nfs/dbraw/zinc/91/50/06/1225915006.db2.gz WIFSTLJQVLKZSV-GXTWGEPZSA-N -1 1 345.443 2.333 20 0 EEADMM CC[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967010675 1220196597 /nfs/dbraw/zinc/19/65/97/1220196597.db2.gz LXERTHLGEHPBAJ-OCCSQVGLSA-N -1 1 333.432 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2CC2)CC1 ZINC000967526115 1220598130 /nfs/dbraw/zinc/59/81/30/1220598130.db2.gz NHSCNXNCGNQJMG-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C=C2CCCCC2)C1 ZINC000967902302 1220904529 /nfs/dbraw/zinc/90/45/29/1220904529.db2.gz YEICOBFKTSXHRT-UHFFFAOYSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCCCN2C/C=C\Cl)c1[O-] ZINC000968809443 1221587558 /nfs/dbraw/zinc/58/75/58/1221587558.db2.gz KGEUGDPCROSDCN-HWPRWLFBSA-N -1 1 326.828 2.151 20 0 EEADMM CCC1(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC001011036067 1224021984 /nfs/dbraw/zinc/02/19/84/1224021984.db2.gz YBKMRQOWCSBOAP-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM CCc1ccc(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)s1 ZINC001011037607 1224022607 /nfs/dbraw/zinc/02/26/07/1224022607.db2.gz CJADIDLKLVMTKO-UHFFFAOYSA-N -1 1 345.424 2.009 20 0 EEADMM CCC1(C(=O)N2CC[C@]3(NC(=O)c4ncccc4[O-])CCC[C@@H]23)CC1 ZINC001014262281 1226426883 /nfs/dbraw/zinc/42/68/83/1226426883.db2.gz ZUADQACIRWCDJK-AUUYWEPGSA-N -1 1 343.427 2.231 20 0 EEADMM Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC001016432536 1226473576 /nfs/dbraw/zinc/47/35/76/1226473576.db2.gz YMNGLYDMOHUKEU-UHFFFAOYSA-N -1 1 339.395 2.129 20 0 EEADMM CCCC(=O)N1CCC(C2(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017154754 1227178207 /nfs/dbraw/zinc/17/82/07/1227178207.db2.gz VQSPHHSNCSBXOQ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cccc2c1ncnc2N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001058344244 1248891492 /nfs/dbraw/zinc/89/14/92/1248891492.db2.gz VKOOSTVPKAIPOX-ZDUSSCGKSA-N -1 1 349.394 2.048 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001019750216 1229316296 /nfs/dbraw/zinc/31/62/96/1229316296.db2.gz WLZANDCRPQXOQP-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM 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CC(C)(C)c1nsc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001056612544 1239449108 /nfs/dbraw/zinc/44/91/08/1239449108.db2.gz ORSAJMLDIIRZTO-SNVBAGLBSA-N -1 1 347.444 2.263 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000903130014 1239811063 /nfs/dbraw/zinc/81/10/63/1239811063.db2.gz MJNNWIWLSZWJPL-UHFFFAOYSA-N -1 1 325.843 2.208 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(Nc2nccnc2F)CC1 ZINC001067909295 1249945003 /nfs/dbraw/zinc/94/50/03/1249945003.db2.gz SIGWMAYHNWWILG-UHFFFAOYSA-N -1 1 345.378 2.212 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001545751 1242459288 /nfs/dbraw/zinc/45/92/88/1242459288.db2.gz YDDIKQIEKRNDEX-CQSZACIVSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050529559 1243790388 /nfs/dbraw/zinc/79/03/88/1243790388.db2.gz IRDJVYFEIRJBHZ-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050530266 1243791547 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337.796 2.355 20 0 EEADMM Cn1c(CNc2cccnc2-c2nnn[n-]2)nc2cc(Cl)ccc21 ZINC001609476087 1351991912 /nfs/dbraw/zinc/99/19/12/1351991912.db2.gz GSPJFESEYHFMBH-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Cn1c(CNc2cccnc2-c2nn[n-]n2)nc2cc(Cl)ccc21 ZINC001609476087 1351991913 /nfs/dbraw/zinc/99/19/13/1351991913.db2.gz GSPJFESEYHFMBH-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H](C2CCCC2)C1 ZINC001609566883 1352018598 /nfs/dbraw/zinc/01/85/98/1352018598.db2.gz JFJRMXOWGRGFKQ-LBPRGKRZSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H](C2CCCC2)C1 ZINC001609566883 1352018601 /nfs/dbraw/zinc/01/86/01/1352018601.db2.gz JFJRMXOWGRGFKQ-LBPRGKRZSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccncc1Cl ZINC001609573622 1352021506 /nfs/dbraw/zinc/02/15/06/1352021506.db2.gz IEVQAXLWBVVNGE-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccncc1Cl ZINC001609573622 1352021509 /nfs/dbraw/zinc/02/15/09/1352021509.db2.gz IEVQAXLWBVVNGE-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCn2c(cc3ccccc32)C1 ZINC001609581978 1352026654 /nfs/dbraw/zinc/02/66/54/1352026654.db2.gz MUJAVDZTJAAQHQ-UHFFFAOYSA-N -1 1 334.339 2.070 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCn2c(cc3ccccc32)C1 ZINC001609581978 1352026656 /nfs/dbraw/zinc/02/66/56/1352026656.db2.gz MUJAVDZTJAAQHQ-UHFFFAOYSA-N -1 1 334.339 2.070 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC001609596548 1352030115 /nfs/dbraw/zinc/03/01/15/1352030115.db2.gz SNQXWEBKMQONJX-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC001609596548 1352030119 /nfs/dbraw/zinc/03/01/19/1352030119.db2.gz SNQXWEBKMQONJX-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609607394 1352035394 /nfs/dbraw/zinc/03/53/94/1352035394.db2.gz AABPYZZGSQRCET-WCFLWFBJSA-N -1 1 348.838 2.435 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609607394 1352035397 /nfs/dbraw/zinc/03/53/97/1352035397.db2.gz AABPYZZGSQRCET-WCFLWFBJSA-N -1 1 348.838 2.435 20 0 EEADMM CCc1ccc(-c2nc(CC(=O)N(C)c3nn[n-]n3)cs2)cc1 ZINC001334273569 1336232019 /nfs/dbraw/zinc/23/20/19/1336232019.db2.gz AEPWTKYOIMLGAF-UHFFFAOYSA-N -1 1 328.401 2.091 20 0 EEADMM CC(C)(C)C1=CCN(CCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001609654487 1352051238 /nfs/dbraw/zinc/05/12/38/1352051238.db2.gz WARZXNOOFPQDRV-UHFFFAOYSA-N -1 1 331.416 2.188 20 0 EEADMM CC(C)[C@H](NC(=O)CN(CCc1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC001609715795 1352067044 /nfs/dbraw/zinc/06/70/44/1352067044.db2.gz BYLRYCWHEFWJGD-KRWDZBQOSA-N -1 1 336.407 2.058 20 0 EEADMM C[C@H](C1CC1)N(C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1)C1CC1 ZINC001609725325 1352069573 /nfs/dbraw/zinc/06/95/73/1352069573.db2.gz YFTSRHNGBCGQGF-YJYMSZOUSA-N -1 1 345.443 2.151 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC1=CCCCCC1 ZINC001609869541 1352107659 /nfs/dbraw/zinc/10/76/59/1352107659.db2.gz WEPCGLMWBLVGQH-HNNXBMFYSA-N -1 1 337.464 2.457 20 0 EEADMM CCN(Cc1cccc(Cl)c1)c1nnc(Cc2nnn[n-]2)n1CC ZINC001340826648 1337252900 /nfs/dbraw/zinc/25/29/00/1337252900.db2.gz WHGWTWRDZQSBHA-UHFFFAOYSA-N -1 1 346.826 2.082 20 0 EEADMM CCN(Cc1cccc(Cl)c1)c1nnc(Cc2nn[n-]n2)n1CC ZINC001340826648 1337252903 /nfs/dbraw/zinc/25/29/03/1337252903.db2.gz WHGWTWRDZQSBHA-UHFFFAOYSA-N -1 1 346.826 2.082 20 0 EEADMM CC[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1c(C)nn(C)c1C ZINC001609933014 1352123063 /nfs/dbraw/zinc/12/30/63/1352123063.db2.gz IBXPUUXWWSHXPT-HNNXBMFYSA-N -1 1 344.415 2.415 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1cnccc1C(C)(C)C ZINC001347173123 1337498423 /nfs/dbraw/zinc/49/84/23/1337498423.db2.gz LAGXWRUYTQJSCW-UHFFFAOYSA-N -1 1 332.429 2.402 20 0 EEADMM CCc1ccc([C@@H]2CNCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001610060924 1352152702 /nfs/dbraw/zinc/15/27/02/1352152702.db2.gz FLRQYCFMVUQMDK-HNNXBMFYSA-N -1 1 328.368 2.327 20 0 EEADMM CCc1ccc(NC(=O)[C@@H](C)N2CCSC[C@@H](C(=O)[O-])C2)cc1 ZINC001610063790 1352153747 /nfs/dbraw/zinc/15/37/47/1352153747.db2.gz TWZWMQUBFWOSGC-OCCSQVGLSA-N -1 1 336.457 2.326 20 0 EEADMM COC(=Cc1ccccc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847079513 1337862685 /nfs/dbraw/zinc/86/26/85/1337862685.db2.gz LTOMAZZRUZVHPT-ODUNQGDFSA-N -1 1 329.356 2.169 20 0 EEADMM CN(Cc1cncnc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001610126918 1352168420 /nfs/dbraw/zinc/16/84/20/1352168420.db2.gz RCUGPNKDKBLAFT-CYBMUJFWSA-N -1 1 336.189 2.497 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@H](C(=O)[O-])C1 ZINC001610136194 1352170732 /nfs/dbraw/zinc/17/07/32/1352170732.db2.gz BKBKIYIBMWKPCS-SECBINFHSA-N -1 1 331.199 2.082 20 0 EEADMM COC(=O)[C@H](Sc1nc(C2CC2)n[nH]1)c1cccc(C(=O)[O-])c1 ZINC001610155606 1352174703 /nfs/dbraw/zinc/17/47/03/1352174703.db2.gz MKYDTGKPRIKLSN-LLVKDONJSA-N -1 1 333.369 2.387 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CCC[C@H](C)CC2)cc(C(=O)[O-])c1 ZINC001610202016 1352184692 /nfs/dbraw/zinc/18/46/92/1352184692.db2.gz BLWGLMMOTVSUDN-LBPRGKRZSA-N -1 1 348.399 2.232 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C2CC2)cc1 ZINC001416821357 1338321498 /nfs/dbraw/zinc/32/14/98/1338321498.db2.gz YLXNRMDUIGXYIR-GFCCVEGCSA-N -1 1 339.395 2.213 20 0 EEADMM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427645214 1339330677 /nfs/dbraw/zinc/33/06/77/1339330677.db2.gz OYCRPCAWGMSLFJ-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC001610664660 1352258538 /nfs/dbraw/zinc/25/85/38/1352258538.db2.gz WPJMQPJHUKTRIH-ZIAGYGMSSA-N -1 1 332.400 2.072 20 0 EEADMM CCCC[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001428949211 1339749719 /nfs/dbraw/zinc/74/97/19/1339749719.db2.gz LUWVICSKZOHPLM-RRFJBIMHSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])c1ccccc1OCCOC(=O)c1ccc2cncn2c1 ZINC001610879411 1352289682 /nfs/dbraw/zinc/28/96/82/1352289682.db2.gz ZBIZLSJZVKHBIV-UHFFFAOYSA-N -1 1 326.308 2.268 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccc(O)c1 ZINC001611200534 1352296591 /nfs/dbraw/zinc/29/65/91/1352296591.db2.gz OHOCXOHEAGFPGU-CYBMUJFWSA-N -1 1 347.737 2.217 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001431428527 1340592385 /nfs/dbraw/zinc/59/23/85/1340592385.db2.gz OEVWXAFZZJHYBN-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC1(C(=O)N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001432552557 1341324832 /nfs/dbraw/zinc/32/48/32/1341324832.db2.gz LOXYHGRXOBBMNB-SFHVURJKSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1C[C@@H]1C(=O)N(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001433058406 1341484202 /nfs/dbraw/zinc/48/42/02/1341484202.db2.gz ZIFVVEWQSMJQGQ-ZFWWWQNUSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)CCCc2nn[n-]n2)c1 ZINC001433793238 1341691936 /nfs/dbraw/zinc/69/19/36/1341691936.db2.gz IEKLVVHMCNAZDZ-UHFFFAOYSA-N -1 1 345.403 2.045 20 0 EEADMM Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc([O-])c(F)c2)c1 ZINC001434211542 1341793072 /nfs/dbraw/zinc/79/30/72/1341793072.db2.gz BEQSIXQZTCFZBL-MRXNPFEDSA-N -1 1 328.343 2.153 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001434727305 1341928821 /nfs/dbraw/zinc/92/88/21/1341928821.db2.gz VVVQVRMFLAJSJX-WPRPVWTQSA-N -1 1 334.346 2.066 20 0 EEADMM C[C@H](Sc1nncn1C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001540812952 1342327629 /nfs/dbraw/zinc/32/76/29/1342327629.db2.gz BKODUOGGNCPYHZ-VIFPVBQESA-N -1 1 344.400 2.030 20 0 EEADMM CC1(C)Cc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc2O1 ZINC001575752216 1343870308 /nfs/dbraw/zinc/87/03/08/1343870308.db2.gz ZMSFJMDJBXVVNP-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC1(C)Cc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc2O1 ZINC001575752216 1343870316 /nfs/dbraw/zinc/87/03/16/1343870316.db2.gz ZMSFJMDJBXVVNP-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001576507409 1344023129 /nfs/dbraw/zinc/02/31/29/1344023129.db2.gz ZVILYPXLOCOAPG-AWEZNQCLSA-N -1 1 340.362 2.211 20 0 EEADMM CC[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001576507409 1344023132 /nfs/dbraw/zinc/02/31/32/1344023132.db2.gz ZVILYPXLOCOAPG-AWEZNQCLSA-N -1 1 340.362 2.211 20 0 EEADMM COc1ncc(NC(=O)NC2CCCCCC2)cc1-c1nn[n-]n1 ZINC001580137341 1344480034 /nfs/dbraw/zinc/48/00/34/1344480034.db2.gz XKAQJAVLDRAIJN-UHFFFAOYSA-N -1 1 331.380 2.115 20 0 EEADMM CSc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)ccc1F ZINC001580230393 1344494776 /nfs/dbraw/zinc/49/47/76/1344494776.db2.gz DFJBANHKQNIPNW-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM CSc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)ccc1F ZINC001580230393 1344494780 /nfs/dbraw/zinc/49/47/80/1344494780.db2.gz DFJBANHKQNIPNW-UHFFFAOYSA-N -1 1 347.379 2.022 20 0 EEADMM Cc1c(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n[nH]c1C1CC1 ZINC001580548487 1344533781 /nfs/dbraw/zinc/53/37/81/1344533781.db2.gz RNWMIDCKSLEYKA-UHFFFAOYSA-N -1 1 345.313 2.306 20 0 EEADMM Cc1c(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n[nH]c1C1CC1 ZINC001580548487 1344533785 /nfs/dbraw/zinc/53/37/85/1344533785.db2.gz RNWMIDCKSLEYKA-UHFFFAOYSA-N -1 1 345.313 2.306 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)o2)nc(-c2ccccc2)n1 ZINC001580984937 1344579807 /nfs/dbraw/zinc/57/98/07/1344579807.db2.gz FGUUSJHSTKOMRH-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc(-c2ccccc2)n1 ZINC001580984937 1344579809 /nfs/dbraw/zinc/57/98/09/1344579809.db2.gz FGUUSJHSTKOMRH-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccc(O)c(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001581209886 1344597977 /nfs/dbraw/zinc/59/79/77/1344597977.db2.gz YZWBQLXHIWKRMB-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1ccc(O)c(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001581209886 1344597980 /nfs/dbraw/zinc/59/79/80/1344597980.db2.gz YZWBQLXHIWKRMB-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1cccc(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1Cl ZINC001581238654 1344603771 /nfs/dbraw/zinc/60/37/71/1344603771.db2.gz KRCVCPZFQTUWJU-UHFFFAOYSA-N -1 1 342.790 2.082 20 0 EEADMM Cc1cccc(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1Cl ZINC001581238654 1344603773 /nfs/dbraw/zinc/60/37/73/1344603773.db2.gz KRCVCPZFQTUWJU-UHFFFAOYSA-N -1 1 342.790 2.082 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581260991 1344608531 /nfs/dbraw/zinc/60/85/31/1344608531.db2.gz NNCPAQJGHZDBMY-UONOGXRCSA-N -1 1 335.371 2.248 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581260991 1344608534 /nfs/dbraw/zinc/60/85/34/1344608534.db2.gz NNCPAQJGHZDBMY-UONOGXRCSA-N -1 1 335.371 2.248 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)CC2CCCC2)c1-c1nn[n-]n1 ZINC001581716068 1344657893 /nfs/dbraw/zinc/65/78/93/1344657893.db2.gz FFEZLFRPNCSFNV-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Clc1cc2c(cc1Sc1ccnc(-c3nn[n-]n3)n1)OCCO2 ZINC001581746201 1344660195 /nfs/dbraw/zinc/66/01/95/1344660195.db2.gz NWGMIYKFMLSBOR-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM O=C(C/C=C/c1ccc(F)cc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582012582 1344691665 /nfs/dbraw/zinc/69/16/65/1344691665.db2.gz GVGSCUKOBLKWJQ-OWOJBTEDSA-N -1 1 338.346 2.121 20 0 EEADMM O=C(C/C=C/c1ccc(F)cc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582012582 1344691670 /nfs/dbraw/zinc/69/16/70/1344691670.db2.gz GVGSCUKOBLKWJQ-OWOJBTEDSA-N -1 1 338.346 2.121 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001582263596 1344721320 /nfs/dbraw/zinc/72/13/20/1344721320.db2.gz YPIADSYUMWQQMC-ABAIWWIYSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001582263596 1344721322 /nfs/dbraw/zinc/72/13/22/1344721322.db2.gz YPIADSYUMWQQMC-ABAIWWIYSA-N -1 1 329.360 2.295 20 0 EEADMM C=C/C=C/CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588530332 1348913408 /nfs/dbraw/zinc/91/34/08/1348913408.db2.gz KGPQVPNXXXURHW-ONEGZZNKSA-N -1 1 338.293 2.143 20 0 EEADMM CC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)c1 ZINC001588920674 1348948125 /nfs/dbraw/zinc/94/81/25/1348948125.db2.gz SONTUGUJYDTGMT-UHFFFAOYSA-N -1 1 345.362 2.433 20 0 EEADMM CC(C)(C)CC(=O)N1CCN(Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001589111926 1348961209 /nfs/dbraw/zinc/96/12/09/1348961209.db2.gz FZSPWKKNOWMJFF-UHFFFAOYSA-N -1 1 348.476 2.009 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC[C@@H](F)C2)n1 ZINC001589248975 1348974892 /nfs/dbraw/zinc/97/48/92/1348974892.db2.gz FMHHAAKRULESRL-VHSXEESVSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC[C@@H](F)C2)n1 ZINC001589248975 1348974893 /nfs/dbraw/zinc/97/48/93/1348974893.db2.gz FMHHAAKRULESRL-VHSXEESVSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(CC(=O)OCc1nc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC001589269825 1348977059 /nfs/dbraw/zinc/97/70/59/1348977059.db2.gz HJVJDAVJMZURER-UHFFFAOYSA-N -1 1 335.311 2.345 20 0 EEADMM CC(C)(CC(=O)OCc1nc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC001589269825 1348977062 /nfs/dbraw/zinc/97/70/62/1348977062.db2.gz HJVJDAVJMZURER-UHFFFAOYSA-N -1 1 335.311 2.345 20 0 EEADMM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589342809 1348985422 /nfs/dbraw/zinc/98/54/22/1348985422.db2.gz LOGUSMZKMZLSEH-UHFFFAOYSA-N -1 1 346.318 2.500 20 0 EEADMM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589342809 1348985423 /nfs/dbraw/zinc/98/54/23/1348985423.db2.gz LOGUSMZKMZLSEH-UHFFFAOYSA-N -1 1 346.318 2.500 20 0 EEADMM CC(C)=CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001589377475 1348988248 /nfs/dbraw/zinc/98/82/48/1348988248.db2.gz PXGSYJWOENVHLV-UHFFFAOYSA-N -1 1 341.824 2.155 20 0 EEADMM CC(C)=CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001589377475 1348988252 /nfs/dbraw/zinc/98/82/52/1348988252.db2.gz PXGSYJWOENVHLV-UHFFFAOYSA-N -1 1 341.824 2.155 20 0 EEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589436942 1348990399 /nfs/dbraw/zinc/99/03/99/1348990399.db2.gz MUTKGUCPTDOTAZ-VIFPVBQESA-N -1 1 341.462 2.126 20 0 EEADMM CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589436942 1348990403 /nfs/dbraw/zinc/99/04/03/1348990403.db2.gz MUTKGUCPTDOTAZ-VIFPVBQESA-N -1 1 341.462 2.126 20 0 EEADMM CC(C)C[C@@H](CO)N(C)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589563268 1349005667 /nfs/dbraw/zinc/00/56/67/1349005667.db2.gz XCNRCUIEXSNKCN-JTQLQIEISA-N -1 1 344.341 2.124 20 0 EEADMM CC(C)C[C@@H](CO)N(C)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589563268 1349005671 /nfs/dbraw/zinc/00/56/71/1349005671.db2.gz XCNRCUIEXSNKCN-JTQLQIEISA-N -1 1 344.341 2.124 20 0 EEADMM CC(C)OCc1nc([C@H](C)NCc2csc(-c3nn[n-]n3)c2)no1 ZINC001589749657 1349028708 /nfs/dbraw/zinc/02/87/08/1349028708.db2.gz DRFQINUDZFBTBH-VIFPVBQESA-N -1 1 349.420 2.087 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589757799 1349031203 /nfs/dbraw/zinc/03/12/03/1349031203.db2.gz LJQKKEGCUNXWTD-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589757799 1349031206 /nfs/dbraw/zinc/03/12/06/1349031206.db2.gz LJQKKEGCUNXWTD-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)c1noc(CCC(=O)OCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001589779046 1349039417 /nfs/dbraw/zinc/03/94/17/1349039417.db2.gz IDJICODDMAOLGL-UHFFFAOYSA-N -1 1 348.388 2.111 20 0 EEADMM C[C@H](CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001589793474 1349044099 /nfs/dbraw/zinc/04/40/99/1349044099.db2.gz SXBGWDJWGKYLDZ-SNVBAGLBSA-N -1 1 346.341 2.214 20 0 EEADMM C[C@H](CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)n1cccc1 ZINC001589793474 1349044103 /nfs/dbraw/zinc/04/41/03/1349044103.db2.gz SXBGWDJWGKYLDZ-SNVBAGLBSA-N -1 1 346.341 2.214 20 0 EEADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CCC(F)CC1 ZINC001589938491 1349069660 /nfs/dbraw/zinc/06/96/60/1349069660.db2.gz JGIGLTWVZZFLRJ-KPPDAEKUSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CCC(F)CC1 ZINC001589938491 1349069666 /nfs/dbraw/zinc/06/96/66/1349069666.db2.gz JGIGLTWVZZFLRJ-KPPDAEKUSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589946313 1349072121 /nfs/dbraw/zinc/07/21/21/1349072121.db2.gz OPBWBJKRUIUVRM-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)Nc1ccccc1 ZINC001589989858 1349096585 /nfs/dbraw/zinc/09/65/85/1349096585.db2.gz FUCQOFSTOXTAHH-SSDOTTSWSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C ZINC001590013289 1349108695 /nfs/dbraw/zinc/10/86/95/1349108695.db2.gz BVWVVTCIRXQSPK-SECBINFHSA-N -1 1 338.327 2.264 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C ZINC001590013289 1349108697 /nfs/dbraw/zinc/10/86/97/1349108697.db2.gz BVWVVTCIRXQSPK-SECBINFHSA-N -1 1 338.327 2.264 20 0 EEADMM CC1(F)CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001590142394 1349174190 /nfs/dbraw/zinc/17/41/90/1349174190.db2.gz ZXPBWPHVPYZRLC-UHFFFAOYSA-N -1 1 328.351 2.312 20 0 EEADMM C[C@@H]1CCC[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590239774 1349218446 /nfs/dbraw/zinc/21/84/46/1349218446.db2.gz BNTPMELKFPCSAF-GHMZBOCLSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@@H]1CCC[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590239774 1349218456 /nfs/dbraw/zinc/21/84/56/1349218456.db2.gz BNTPMELKFPCSAF-GHMZBOCLSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCN(c2cc(Br)cnc2-c2nnn[n-]2)C[C@@H]1F ZINC001590276435 1349244782 /nfs/dbraw/zinc/24/47/82/1349244782.db2.gz NWAQGWDDDVTRAW-CBAPKCEASA-N -1 1 341.188 2.209 20 0 EEADMM C[C@H]1CCN(c2cc(Br)cnc2-c2nn[n-]n2)C[C@@H]1F ZINC001590276435 1349244787 /nfs/dbraw/zinc/24/47/87/1349244787.db2.gz NWAQGWDDDVTRAW-CBAPKCEASA-N -1 1 341.188 2.209 20 0 EEADMM C[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC2(CCC2)O1 ZINC001590316390 1349261582 /nfs/dbraw/zinc/26/15/82/1349261582.db2.gz LMPTZUUFJRQSIP-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM CC[C@@H](C[C@H](C)O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(C)cc21 ZINC001590421193 1349316646 /nfs/dbraw/zinc/31/66/46/1349316646.db2.gz HHUBRVBFBWAABX-RYUDHWBXSA-N -1 1 326.404 2.107 20 0 EEADMM CC[C@@H](CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001590423839 1349319177 /nfs/dbraw/zinc/31/91/77/1349319177.db2.gz WNMVDVLNVICDAZ-LBPRGKRZSA-N -1 1 339.403 2.431 20 0 EEADMM CC[C@@H](CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001590423839 1349319184 /nfs/dbraw/zinc/31/91/84/1349319184.db2.gz WNMVDVLNVICDAZ-LBPRGKRZSA-N -1 1 339.403 2.431 20 0 EEADMM CCC(CC)(CNc1cncc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001590428591 1349319939 /nfs/dbraw/zinc/31/99/39/1349319939.db2.gz MIBHSJPZMAAJRD-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CCC(CC)(CNc1cncc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001590428591 1349319942 /nfs/dbraw/zinc/31/99/42/1349319942.db2.gz MIBHSJPZMAAJRD-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CCC1(C)CN(C(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001590491031 1349354474 /nfs/dbraw/zinc/35/44/74/1349354474.db2.gz YHTKULSOJJILEQ-UHFFFAOYSA-N -1 1 340.309 2.153 20 0 EEADMM CCC1CCC(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590504470 1349359018 /nfs/dbraw/zinc/35/90/18/1349359018.db2.gz FXLGGPAFOVLXMH-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CCC1CCC(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590504470 1349359023 /nfs/dbraw/zinc/35/90/23/1349359023.db2.gz FXLGGPAFOVLXMH-UHFFFAOYSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H]1CCC[C@H](Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590507307 1349360567 /nfs/dbraw/zinc/36/05/67/1349360567.db2.gz BQFKZMKYCRVASK-MNOVXSKESA-N -1 1 330.392 2.429 20 0 EEADMM CC[C@@H]1CCC[C@H](Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590507307 1349360571 /nfs/dbraw/zinc/36/05/71/1349360571.db2.gz BQFKZMKYCRVASK-MNOVXSKESA-N -1 1 330.392 2.429 20 0 EEADMM CCCNC(=O)c1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC001590638481 1349381951 /nfs/dbraw/zinc/38/19/51/1349381951.db2.gz QXIVDHBBFUYXBY-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM CCCNC(=O)c1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC001590638481 1349381959 /nfs/dbraw/zinc/38/19/59/1349381959.db2.gz QXIVDHBBFUYXBY-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM CN([C@H]1CCC(C)(C)C1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591036912 1349433852 /nfs/dbraw/zinc/43/38/52/1349433852.db2.gz FVUJLVIBNVOACV-VIFPVBQESA-N -1 1 341.462 2.127 20 0 EEADMM CO[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1(C)C ZINC001591358443 1349471644 /nfs/dbraw/zinc/47/16/44/1349471644.db2.gz PKHBKQIEWISKMN-ZDUSSCGKSA-N -1 1 339.403 2.061 20 0 EEADMM CO[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1(C)C ZINC001591358443 1349471649 /nfs/dbraw/zinc/47/16/49/1349471649.db2.gz PKHBKQIEWISKMN-ZDUSSCGKSA-N -1 1 339.403 2.061 20 0 EEADMM COc1cc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)ccc1Cl ZINC001591524621 1349498198 /nfs/dbraw/zinc/49/81/98/1349498198.db2.gz LULXQMFEXCNDJP-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM COc1cc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)ccc1Cl ZINC001591524621 1349498204 /nfs/dbraw/zinc/49/82/04/1349498204.db2.gz LULXQMFEXCNDJP-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM COc1ccc(OCCCOc2cccnc2-c2nnn[n-]2)cc1 ZINC001591620608 1349517196 /nfs/dbraw/zinc/51/71/96/1349517196.db2.gz HDTZZBGKABHKED-UHFFFAOYSA-N -1 1 327.344 2.118 20 0 EEADMM COc1ccc(OCCCOc2cccnc2-c2nn[n-]n2)cc1 ZINC001591620608 1349517207 /nfs/dbraw/zinc/51/72/07/1349517207.db2.gz HDTZZBGKABHKED-UHFFFAOYSA-N -1 1 327.344 2.118 20 0 EEADMM COc1cccc(OCCCNc2cccnc2-c2nnn[n-]2)c1 ZINC001591641982 1349521452 /nfs/dbraw/zinc/52/14/52/1349521452.db2.gz KDZRBGYDDVSVMM-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM COc1cccc(OCCCNc2cccnc2-c2nn[n-]n2)c1 ZINC001591641982 1349521455 /nfs/dbraw/zinc/52/14/55/1349521455.db2.gz KDZRBGYDDVSVMM-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cnc2ccccc12 ZINC001591813339 1349538523 /nfs/dbraw/zinc/53/85/23/1349538523.db2.gz ZQTWETWEKQKLAW-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cnc2ccccc12 ZINC001591813339 1349538530 /nfs/dbraw/zinc/53/85/30/1349538530.db2.gz ZQTWETWEKQKLAW-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccn(C)c2-c2ccccc2)c1-c1nn[n-]n1 ZINC001592332540 1349621847 /nfs/dbraw/zinc/62/18/47/1349621847.db2.gz IWCMDEHSTGRACF-UHFFFAOYSA-N -1 1 348.370 2.156 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(F)cc3ccoc32)c1-c1nn[n-]n1 ZINC001592329756 1349621910 /nfs/dbraw/zinc/62/19/10/1349621910.db2.gz FMWMBNKQSVYWSR-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1nc(N[C@@H]2CCCOc3c(F)cccc32)cc(-c2nnn[n-]2)n1 ZINC001592384900 1349625754 /nfs/dbraw/zinc/62/57/54/1349625754.db2.gz ZDLRGRXXXJIBTO-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nc(N[C@@H]2CCCOc3c(F)cccc32)cc(-c2nn[n-]n2)n1 ZINC001592384900 1349625759 /nfs/dbraw/zinc/62/57/59/1349625759.db2.gz ZDLRGRXXXJIBTO-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nsc(N[C@H](C)Cc2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC001592427984 1349629282 /nfs/dbraw/zinc/62/92/82/1349629282.db2.gz ZGAIRUULMVMSNW-SSDOTTSWSA-N -1 1 332.437 2.025 20 0 EEADMM Cc1nsc(NC(=O)C2(C(F)(F)F)CCC2)c1-c1nnn[n-]1 ZINC001592480175 1349635938 /nfs/dbraw/zinc/63/59/38/1349635938.db2.gz VEIGGLJOUWEPOT-UHFFFAOYSA-N -1 1 332.311 2.303 20 0 EEADMM Cc1nsc(NC(=O)C2(C(F)(F)F)CCC2)c1-c1nn[n-]n1 ZINC001592480175 1349635939 /nfs/dbraw/zinc/63/59/39/1349635939.db2.gz VEIGGLJOUWEPOT-UHFFFAOYSA-N -1 1 332.311 2.303 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1CCC(C)C ZINC001592503960 1349639990 /nfs/dbraw/zinc/63/99/90/1349639990.db2.gz ZZLZYCRXEDNVJP-UHFFFAOYSA-N -1 1 329.364 2.263 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1CCC(C)C ZINC001592503960 1349639992 /nfs/dbraw/zinc/63/99/92/1349639992.db2.gz ZZLZYCRXEDNVJP-UHFFFAOYSA-N -1 1 329.364 2.263 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC001592502654 1349640101 /nfs/dbraw/zinc/64/01/01/1349640101.db2.gz PWMXYYWEUNQAIA-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC001592502654 1349640103 /nfs/dbraw/zinc/64/01/03/1349640103.db2.gz PWMXYYWEUNQAIA-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC/C=C\Cl ZINC001592507035 1349642564 /nfs/dbraw/zinc/64/25/64/1349642564.db2.gz VNVFKSCOAMTCSG-PLNGDYQASA-N -1 1 333.735 2.468 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC/C=C\Cl ZINC001592507035 1349642566 /nfs/dbraw/zinc/64/25/66/1349642566.db2.gz VNVFKSCOAMTCSG-PLNGDYQASA-N -1 1 333.735 2.468 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@H](O)c1ccccc1 ZINC001592504104 1349642636 /nfs/dbraw/zinc/64/26/36/1349642636.db2.gz UMLNIBFYKBZXRD-ZDUSSCGKSA-N -1 1 328.328 2.049 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@H](O)c1ccccc1 ZINC001592504104 1349642637 /nfs/dbraw/zinc/64/26/37/1349642637.db2.gz UMLNIBFYKBZXRD-ZDUSSCGKSA-N -1 1 328.328 2.049 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592506807 1349642701 /nfs/dbraw/zinc/64/27/01/1349642701.db2.gz AREKFKOFZWYDII-UHFFFAOYSA-N -1 1 328.332 2.244 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001592506599 1349643297 /nfs/dbraw/zinc/64/32/97/1349643297.db2.gz PTONTPJWNCFDRI-NWDGAFQWSA-N -1 1 340.387 2.333 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001592506599 1349643300 /nfs/dbraw/zinc/64/33/00/1349643300.db2.gz PTONTPJWNCFDRI-NWDGAFQWSA-N -1 1 340.387 2.333 20 0 EEADMM Clc1cccc(CC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001592534192 1349650387 /nfs/dbraw/zinc/65/03/87/1349650387.db2.gz IEWKQLVVCJMLTC-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc(CC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001592534192 1349650388 /nfs/dbraw/zinc/65/03/88/1349650388.db2.gz IEWKQLVVCJMLTC-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3ncncc3-c3nn[n-]n3)[C@H]21 ZINC001592535708 1349651242 /nfs/dbraw/zinc/65/12/42/1349651242.db2.gz LUUAARTWBZBEPD-ZWKOPEQDSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1sc(N[C@@H]2CCC[C@H]3OCC[C@H]32)nc1-c1nn[n-]n1 ZINC001592543052 1349654484 /nfs/dbraw/zinc/65/44/84/1349654484.db2.gz LLBGCUHSCWXREN-XLPZGREQSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2ccc3ccccc3c2)n1 ZINC001592558979 1349657313 /nfs/dbraw/zinc/65/73/13/1349657313.db2.gz QLIQDDWVZXIJAO-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2ccc3ccccc3c2)n1 ZINC001592558979 1349657315 /nfs/dbraw/zinc/65/73/15/1349657315.db2.gz QLIQDDWVZXIJAO-UHFFFAOYSA-N -1 1 347.382 2.325 20 0 EEADMM Cn1cc(C(F)F)c(CNc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001592566272 1349658382 /nfs/dbraw/zinc/65/83/82/1349658382.db2.gz MAZSBNXIZXEELN-UHFFFAOYSA-N -1 1 346.754 2.260 20 0 EEADMM Cn1cc(C(F)F)c(CNc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592566272 1349658384 /nfs/dbraw/zinc/65/83/84/1349658384.db2.gz MAZSBNXIZXEELN-UHFFFAOYSA-N -1 1 346.754 2.260 20 0 EEADMM Fc1ccc(Oc2nnc(C(F)(F)F)s2)c(-c2nn[n-]n2)n1 ZINC001592652643 1349696741 /nfs/dbraw/zinc/69/67/41/1349696741.db2.gz QMOSVOCZZAAXFU-UHFFFAOYSA-N -1 1 333.230 2.063 20 0 EEADMM O=C(NC1CC(Nc2ccccc2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001592965772 1349730761 /nfs/dbraw/zinc/73/07/61/1349730761.db2.gz LYHZKZYJNRYOSM-UHFFFAOYSA-N -1 1 340.412 2.301 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc2cc(O)ccc21 ZINC001593145972 1349741844 /nfs/dbraw/zinc/74/18/44/1349741844.db2.gz CPVPNAHSXQRKQK-UHFFFAOYSA-N -1 1 346.350 2.051 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2cc(O)ccc21 ZINC001593145972 1349741847 /nfs/dbraw/zinc/74/18/47/1349741847.db2.gz CPVPNAHSXQRKQK-UHFFFAOYSA-N -1 1 346.350 2.051 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593254044 1349751341 /nfs/dbraw/zinc/75/13/41/1349751341.db2.gz NYNMXPIJOKSRBM-SCLBCKFNSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593254044 1349751346 /nfs/dbraw/zinc/75/13/46/1349751346.db2.gz NYNMXPIJOKSRBM-SCLBCKFNSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC[C@@H](C2CC2)C1 ZINC001593263182 1349755207 /nfs/dbraw/zinc/75/52/07/1349755207.db2.gz HDUHQMVGJSWJNP-SSDOTTSWSA-N -1 1 339.812 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001593267372 1349756167 /nfs/dbraw/zinc/75/61/67/1349756167.db2.gz BGPDUKPVIDQQSV-LGZQZNNBSA-N -1 1 344.375 2.332 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001593267372 1349756172 /nfs/dbraw/zinc/75/61/72/1349756172.db2.gz BGPDUKPVIDQQSV-LGZQZNNBSA-N -1 1 344.375 2.332 20 0 EEADMM O=C(O[C@@H]1COc2cc(Cl)ccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593280252 1349761029 /nfs/dbraw/zinc/76/10/29/1349761029.db2.gz HFNIMFUKCRUJTL-CYBMUJFWSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(O[C@@H]1COc2cc(Cl)ccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593280252 1349761030 /nfs/dbraw/zinc/76/10/30/1349761030.db2.gz HFNIMFUKCRUJTL-CYBMUJFWSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001593281539 1349761162 /nfs/dbraw/zinc/76/11/62/1349761162.db2.gz JDFZKCGZZNRZMI-MUWHJKNJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCOC1)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593281539 1349761164 /nfs/dbraw/zinc/76/11/64/1349761164.db2.gz JDFZKCGZZNRZMI-MUWHJKNJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnc([C@H]2CCCO2)s1 ZINC001593297615 1349771395 /nfs/dbraw/zinc/77/13/95/1349771395.db2.gz NFABUYXNYIZDHJ-SNVBAGLBSA-N -1 1 347.356 2.125 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnc([C@H]2CCCO2)s1 ZINC001593297615 1349771397 /nfs/dbraw/zinc/77/13/97/1349771397.db2.gz NFABUYXNYIZDHJ-SNVBAGLBSA-N -1 1 347.356 2.125 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593307052 1349776492 /nfs/dbraw/zinc/77/64/92/1349776492.db2.gz LOLHJAVFXUGRMC-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593307052 1349776494 /nfs/dbraw/zinc/77/64/94/1349776494.db2.gz LOLHJAVFXUGRMC-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593308157 1349776773 /nfs/dbraw/zinc/77/67/73/1349776773.db2.gz SMXMJCQFHSYEQB-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593308157 1349776780 /nfs/dbraw/zinc/77/67/80/1349776780.db2.gz SMXMJCQFHSYEQB-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccccc1Br)c1ccnc(-c2nnn[n-]2)c1 ZINC001593309389 1349778091 /nfs/dbraw/zinc/77/80/91/1349778091.db2.gz CJUBABNJZKSSAY-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccccc1Br)c1ccnc(-c2nn[n-]n2)c1 ZINC001593309389 1349778092 /nfs/dbraw/zinc/77/80/92/1349778092.db2.gz CJUBABNJZKSSAY-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001593342069 1349786326 /nfs/dbraw/zinc/78/63/26/1349786326.db2.gz FEKJEJQOQFCBQW-UHFFFAOYSA-N -1 1 341.758 2.382 20 0 EEADMM O=C1CC[C@H](c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)N1 ZINC001593391628 1349795544 /nfs/dbraw/zinc/79/55/44/1349795544.db2.gz ZPNYYSKJBCGXGG-CYBMUJFWSA-N -1 1 340.412 2.491 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1CC1CCC(c2ccccc2)CC1 ZINC001593494741 1349819463 /nfs/dbraw/zinc/81/94/63/1349819463.db2.gz QSXJEJNCWGMHEE-UHFFFAOYSA-N -1 1 336.399 2.397 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593518926 1349829896 /nfs/dbraw/zinc/82/98/96/1349829896.db2.gz GTWDRMNOFKCYCN-MVWJERBFSA-N -1 1 334.811 2.045 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593518926 1349829898 /nfs/dbraw/zinc/82/98/98/1349829898.db2.gz GTWDRMNOFKCYCN-MVWJERBFSA-N -1 1 334.811 2.045 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2ncncc2-c2nn[n-]n2)n1 ZINC001593572303 1349857260 /nfs/dbraw/zinc/85/72/60/1349857260.db2.gz XVSPRBDWOJLGHR-CYBMUJFWSA-N -1 1 334.343 2.041 20 0 EEADMM c1ccc(Cc2nccc(NCc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC001593574642 1349857972 /nfs/dbraw/zinc/85/79/72/1349857972.db2.gz GAFWDUSXFWTZTL-UHFFFAOYSA-N -1 1 344.382 2.255 20 0 EEADMM c1ccc(Cc2nccc(NCc3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC001593574642 1349857976 /nfs/dbraw/zinc/85/79/76/1349857976.db2.gz GAFWDUSXFWTZTL-UHFFFAOYSA-N -1 1 344.382 2.255 20 0 EEADMM Cc1c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cnc2ccccc12 ZINC001599976793 1349949346 /nfs/dbraw/zinc/94/93/46/1349949346.db2.gz MCHHNSYNSJILMY-CYBMUJFWSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cccc3c2OCCCO3)n1C ZINC001599994336 1349951540 /nfs/dbraw/zinc/95/15/40/1349951540.db2.gz VFLKCXIFOWQLQT-UHFFFAOYSA-N -1 1 330.384 2.483 20 0 EEADMM Cc1nn(-c2ccc(C)cc2)cc1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600321985 1350019929 /nfs/dbraw/zinc/01/99/29/1350019929.db2.gz YZNQETTWPBEWOQ-GOSISDBHSA-N -1 1 343.427 2.147 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001600356642 1350028296 /nfs/dbraw/zinc/02/82/96/1350028296.db2.gz JPBKLPUYWJNOOS-XIRDDKMYSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c1OCCNC2 ZINC001600360325 1350029945 /nfs/dbraw/zinc/02/99/45/1350029945.db2.gz BYBDPBZDPBJCEP-UHFFFAOYSA-N -1 1 326.352 2.428 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC001600373412 1350032987 /nfs/dbraw/zinc/03/29/87/1350032987.db2.gz LWZACAUZGNEZDH-XJKSGUPXSA-N -1 1 327.384 2.470 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)cc12 ZINC001600602537 1350095228 /nfs/dbraw/zinc/09/52/28/1350095228.db2.gz VADGVMUAYSKLOI-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1csc2nc(C)c(CN3CCSC[C@@H]3CC(=O)[O-])n12 ZINC001600731169 1350123515 /nfs/dbraw/zinc/12/35/15/1350123515.db2.gz HWRVWSKSQDFFKX-NSHDSACASA-N -1 1 325.459 2.405 20 0 EEADMM Cc1sc([C@@H]2CCCN2c2ncnc3[nH]cnc32)nc1C(=O)[O-] ZINC001600879457 1350158728 /nfs/dbraw/zinc/15/87/28/1350158728.db2.gz KDMKBUWEZNPTQP-QMMMGPOBSA-N -1 1 330.373 2.158 20 0 EEADMM Cn1c(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)nc2ccccc21 ZINC001600914256 1350167369 /nfs/dbraw/zinc/16/73/69/1350167369.db2.gz DIJHPNQFBIBNOW-LJQANCHMSA-N -1 1 343.427 2.155 20 0 EEADMM NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601139393 1350219543 /nfs/dbraw/zinc/21/95/43/1350219543.db2.gz KRCYBOMZLBTJNH-OCCSQVGLSA-N -1 1 345.424 2.247 20 0 EEADMM NC(=O)CCN(Cc1cc(C(=O)[O-])co1)[C@H]1CCOc2ccccc21 ZINC001601148755 1350220781 /nfs/dbraw/zinc/22/07/81/1350220781.db2.gz JSXVMTWZWQHRBX-HNNXBMFYSA-N -1 1 344.367 2.179 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC001601318931 1350256724 /nfs/dbraw/zinc/25/67/24/1350256724.db2.gz ZZLYZGBDCDEHRR-DLBZAZTESA-N -1 1 346.427 2.196 20 0 EEADMM O=C([O-])c1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c[nH]1 ZINC001601442648 1350284541 /nfs/dbraw/zinc/28/45/41/1350284541.db2.gz NIHMKDMQUGGXDY-UHFFFAOYSA-N -1 1 345.374 2.246 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC001601566001 1350308154 /nfs/dbraw/zinc/30/81/54/1350308154.db2.gz NTKRWQVTHZCUGK-AWEZNQCLSA-N -1 1 345.305 2.267 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1Cc1ccccc1 ZINC001601567872 1350308409 /nfs/dbraw/zinc/30/84/09/1350308409.db2.gz NCLQPXQZHXAIND-GOSISDBHSA-N -1 1 349.390 2.426 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1 ZINC001601651778 1350328630 /nfs/dbraw/zinc/32/86/30/1350328630.db2.gz LTHSXCMKKZWRBY-CVEARBPZSA-N -1 1 334.391 2.127 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1F)N1CCC(Oc2cnccn2)CC1 ZINC001601697086 1350341110 /nfs/dbraw/zinc/34/11/10/1350341110.db2.gz ZAJFQLDAIKNAJZ-MRXNPFEDSA-N -1 1 331.347 2.285 20 0 EEADMM O=C([O-])C1=CC[C@@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC001601740675 1350352689 /nfs/dbraw/zinc/35/26/89/1350352689.db2.gz PIPONPFGWLBDMY-SNVBAGLBSA-N -1 1 336.754 2.323 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001601771462 1350361029 /nfs/dbraw/zinc/36/10/29/1350361029.db2.gz FGGNQRHPPMPOIK-YJBOKZPZSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])CN1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 ZINC001602061236 1350430017 /nfs/dbraw/zinc/43/00/17/1350430017.db2.gz RZKQJDXEZCCNNR-UHFFFAOYSA-N -1 1 345.443 2.274 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1 ZINC001602089807 1350434561 /nfs/dbraw/zinc/43/45/61/1350434561.db2.gz GGDIHRHJSNFFBX-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])Cc1ccnc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC001602151291 1350452124 /nfs/dbraw/zinc/45/21/24/1350452124.db2.gz XBNRTIBLKSNXCT-ZDUSSCGKSA-N -1 1 327.388 2.088 20 0 EEADMM O=C([O-])Cc1ccnc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC001602151291 1350452125 /nfs/dbraw/zinc/45/21/25/1350452125.db2.gz XBNRTIBLKSNXCT-ZDUSSCGKSA-N -1 1 327.388 2.088 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)on1 ZINC001602248987 1350476344 /nfs/dbraw/zinc/47/63/44/1350476344.db2.gz IGRCVAZRCLRSPK-UHFFFAOYSA-N -1 1 339.267 2.156 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)[nH]1 ZINC001602319565 1350493173 /nfs/dbraw/zinc/49/31/73/1350493173.db2.gz KZOVVKBCCVGEJR-INIZCTEOSA-N -1 1 336.351 2.224 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001602340914 1350498751 /nfs/dbraw/zinc/49/87/51/1350498751.db2.gz XOVGJOLTYUMQHA-MRXNPFEDSA-N -1 1 327.336 2.405 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2n[nH]c3ccc(Cl)cc32)cn1 ZINC001602342797 1350499243 /nfs/dbraw/zinc/49/92/43/1350499243.db2.gz FPLWOUNHKSLBSW-UHFFFAOYSA-N -1 1 330.731 2.240 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC001602406644 1350512302 /nfs/dbraw/zinc/51/23/02/1350512302.db2.gz DGNFJRAHRXDJRY-KGLIPLIRSA-N -1 1 342.395 2.407 20 0 EEADMM O=C([O-])c1cnc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)s1 ZINC001602521135 1350537362 /nfs/dbraw/zinc/53/73/62/1350537362.db2.gz MFAGHZPKSJYNQG-LRDDRELGSA-N -1 1 336.388 2.236 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2c3[nH]cnc3ccc2F)C1 ZINC001602622500 1350560027 /nfs/dbraw/zinc/56/00/27/1350560027.db2.gz VPERPAOMKDXEJW-CYBMUJFWSA-N -1 1 345.252 2.181 20 0 EEADMM O=Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)c(O)c2)o1 ZINC001602665888 1350569301 /nfs/dbraw/zinc/56/93/01/1350569301.db2.gz UXDGDNNXCOFIBJ-UHFFFAOYSA-N -1 1 329.308 2.154 20 0 EEADMM C/C(=C\CN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001602974678 1350616664 /nfs/dbraw/zinc/61/66/64/1350616664.db2.gz GAKLMMILMFBZOR-MVHRNJCLSA-N -1 1 325.430 2.090 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC001603164452 1350653385 /nfs/dbraw/zinc/65/33/85/1350653385.db2.gz CYJHCTXBMUNLPA-UHFFFAOYSA-N -1 1 333.298 2.403 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)c(F)c1 ZINC001603164452 1350653389 /nfs/dbraw/zinc/65/33/89/1350653389.db2.gz CYJHCTXBMUNLPA-UHFFFAOYSA-N -1 1 333.298 2.403 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001603369674 1350696280 /nfs/dbraw/zinc/69/62/80/1350696280.db2.gz BHVOWDJHWBFTBY-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001603369674 1350696286 /nfs/dbraw/zinc/69/62/86/1350696286.db2.gz BHVOWDJHWBFTBY-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCc1cc(C(=O)[O-])no1 ZINC001603414048 1350701974 /nfs/dbraw/zinc/70/19/74/1350701974.db2.gz XOENWOZMQFPKRR-LLVKDONJSA-N -1 1 339.392 2.252 20 0 EEADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1c[nH]c2ccccc21 ZINC001603449453 1350706724 /nfs/dbraw/zinc/70/67/24/1350706724.db2.gz RQNACBRPTZDCKS-VIFPVBQESA-N -1 1 336.359 2.203 20 0 EEADMM C[C@H](CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)CC(F)(F)F ZINC001603540877 1350718097 /nfs/dbraw/zinc/71/80/97/1350718097.db2.gz ANEMXNFHZQFPFL-LURJTMIESA-N -1 1 349.263 2.463 20 0 EEADMM C[C@H](CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)CC(F)(F)F ZINC001603540877 1350718101 /nfs/dbraw/zinc/71/81/01/1350718101.db2.gz ANEMXNFHZQFPFL-LURJTMIESA-N -1 1 349.263 2.463 20 0 EEADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C ZINC001603705249 1350746280 /nfs/dbraw/zinc/74/62/80/1350746280.db2.gz ZBNFELOVUQDMOB-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C ZINC001603705249 1350746285 /nfs/dbraw/zinc/74/62/85/1350746285.db2.gz ZBNFELOVUQDMOB-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM C[C@]1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CCc2ccccc21 ZINC001603754991 1350758336 /nfs/dbraw/zinc/75/83/36/1350758336.db2.gz ISDGQYRMIDPYIK-INIZCTEOSA-N -1 1 341.396 2.271 20 0 EEADMM C[C@]1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CCc2ccccc21 ZINC001603754991 1350758342 /nfs/dbraw/zinc/75/83/42/1350758342.db2.gz ISDGQYRMIDPYIK-INIZCTEOSA-N -1 1 341.396 2.271 20 0 EEADMM CC1(C)C[C@H](CNC(=O)c2ccsc2-c2nnn[n-]2)C(C)(C)O1 ZINC001603763251 1350761136 /nfs/dbraw/zinc/76/11/36/1350761136.db2.gz YPHWHNQRFHSMNR-SECBINFHSA-N -1 1 335.433 2.252 20 0 EEADMM CC1(C)C[C@H](CNC(=O)c2ccsc2-c2nn[n-]n2)C(C)(C)O1 ZINC001603763251 1350761143 /nfs/dbraw/zinc/76/11/43/1350761143.db2.gz YPHWHNQRFHSMNR-SECBINFHSA-N -1 1 335.433 2.252 20 0 EEADMM CC1=CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001603825885 1350777360 /nfs/dbraw/zinc/77/73/60/1350777360.db2.gz HDCUYHLCTGBRBY-UHFFFAOYSA-N -1 1 325.785 2.161 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001603880833 1350790611 /nfs/dbraw/zinc/79/06/11/1350790611.db2.gz ILUPSIGJDLZICK-CBAPKCEASA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCc2ccc(Cl)cc21 ZINC001603941935 1350808686 /nfs/dbraw/zinc/80/86/86/1350808686.db2.gz WOSDMADDZHDEBK-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCc2ccc(Cl)cc21 ZINC001603941935 1350808690 /nfs/dbraw/zinc/80/86/90/1350808690.db2.gz WOSDMADDZHDEBK-SNVBAGLBSA-N -1 1 341.806 2.476 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603958319 1350814058 /nfs/dbraw/zinc/81/40/58/1350814058.db2.gz GNDFQXDGVABURR-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603958319 1350814064 /nfs/dbraw/zinc/81/40/64/1350814064.db2.gz GNDFQXDGVABURR-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001604073961 1350846938 /nfs/dbraw/zinc/84/69/38/1350846938.db2.gz BIJBYSDMPIYJTA-CYBMUJFWSA-N -1 1 325.376 2.253 20 0 EEADMM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001604156145 1350878102 /nfs/dbraw/zinc/87/81/02/1350878102.db2.gz QSNGOOSHYIFRRT-STQMWFEESA-N -1 1 346.435 2.428 20 0 EEADMM CCC[C@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001604156145 1350878107 /nfs/dbraw/zinc/87/81/07/1350878107.db2.gz QSNGOOSHYIFRRT-STQMWFEESA-N -1 1 346.435 2.428 20 0 EEADMM C[C@@](NC(=O)c1cccc(Br)c1O)(C(=O)[O-])C1CC1 ZINC001604315623 1350913879 /nfs/dbraw/zinc/91/38/79/1350913879.db2.gz ZHPCZUKLIHKXNU-ZDUSSCGKSA-N -1 1 328.162 2.138 20 0 EEADMM CCOc1ccc(OCc2nc(-c3nnn[n-]3)cs2)c(C=O)c1 ZINC001604461878 1350943002 /nfs/dbraw/zinc/94/30/02/1350943002.db2.gz HLBPAIDGGWGLRH-UHFFFAOYSA-N -1 1 331.357 2.113 20 0 EEADMM CCOc1ccc(OCc2nc(-c3nn[n-]n3)cs2)c(C=O)c1 ZINC001604461878 1350943005 /nfs/dbraw/zinc/94/30/05/1350943005.db2.gz HLBPAIDGGWGLRH-UHFFFAOYSA-N -1 1 331.357 2.113 20 0 EEADMM CCS[C@@H](C)c1noc(CN(C)c2cccnc2-c2nnn[n-]2)n1 ZINC001604478943 1350946626 /nfs/dbraw/zinc/94/66/26/1350946626.db2.gz PGERWKAZHVUUHC-VIFPVBQESA-N -1 1 346.420 2.095 20 0 EEADMM CCS[C@@H](C)c1noc(CN(C)c2cccnc2-c2nn[n-]n2)n1 ZINC001604478943 1350946629 /nfs/dbraw/zinc/94/66/29/1350946629.db2.gz PGERWKAZHVUUHC-VIFPVBQESA-N -1 1 346.420 2.095 20 0 EEADMM CCc1ccc(CCC(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)cc1 ZINC001604523465 1350954436 /nfs/dbraw/zinc/95/44/36/1350954436.db2.gz OLUVOZMCDGQTSA-UHFFFAOYSA-N -1 1 339.403 2.042 20 0 EEADMM CCc1ccc(CCC(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)cc1 ZINC001604523465 1350954438 /nfs/dbraw/zinc/95/44/38/1350954438.db2.gz OLUVOZMCDGQTSA-UHFFFAOYSA-N -1 1 339.403 2.042 20 0 EEADMM CC1=CCN(CCNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001604615385 1350970700 /nfs/dbraw/zinc/97/07/00/1350970700.db2.gz KTAISWUVGVQPFW-QFBILLFUSA-N -1 1 328.412 2.013 20 0 EEADMM CN(C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)C1CCCC1 ZINC001604642722 1350975667 /nfs/dbraw/zinc/97/56/67/1350975667.db2.gz GAQUQLFYMXPHEZ-UHFFFAOYSA-N -1 1 336.346 2.229 20 0 EEADMM CN(C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)C1CCCC1 ZINC001604642722 1350975669 /nfs/dbraw/zinc/97/56/69/1350975669.db2.gz GAQUQLFYMXPHEZ-UHFFFAOYSA-N -1 1 336.346 2.229 20 0 EEADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CCS(=O)(=O)C1CCCCC1 ZINC001604652180 1350977220 /nfs/dbraw/zinc/97/72/20/1350977220.db2.gz KSVUTCKVCUWWQE-CHWSQXEVSA-N -1 1 331.478 2.308 20 0 EEADMM C[C@@H]1CCN(CC(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)C1 ZINC001604753458 1350996751 /nfs/dbraw/zinc/99/67/51/1350996751.db2.gz XNKRXWAHDJRCLM-BIENJYKASA-N -1 1 330.428 2.322 20 0 EEADMM CC[C@@H](C)N1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001604965250 1351040241 /nfs/dbraw/zinc/04/02/41/1351040241.db2.gz JWQBUBBWDYWPGJ-BXUZGUMPSA-N -1 1 335.448 2.317 20 0 EEADMM COC(=O)c1cccc(CSc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001604985917 1351046357 /nfs/dbraw/zinc/04/63/57/1351046357.db2.gz YPOCYVOJRWAKRI-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CO[C@@H](C)CC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001605003558 1351050944 /nfs/dbraw/zinc/05/09/44/1351050944.db2.gz VFNNGGUBJSXZKO-ZETCQYMHSA-N -1 1 345.281 2.129 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605143522 1351087802 /nfs/dbraw/zinc/08/78/02/1351087802.db2.gz XSHDAGMLIZIQEQ-UHFFFAOYSA-N -1 1 333.735 2.317 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605143522 1351087808 /nfs/dbraw/zinc/08/78/08/1351087808.db2.gz XSHDAGMLIZIQEQ-UHFFFAOYSA-N -1 1 333.735 2.317 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001605152300 1351089494 /nfs/dbraw/zinc/08/94/94/1351089494.db2.gz SXJOKENWDMJJQE-IUODEOHRSA-N -1 1 345.399 2.231 20 0 EEADMM COc1cc(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC001605223063 1351108543 /nfs/dbraw/zinc/10/85/43/1351108543.db2.gz NEKUPUHTUDZTGZ-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM COc1cc(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC001605223063 1351108548 /nfs/dbraw/zinc/10/85/48/1351108548.db2.gz NEKUPUHTUDZTGZ-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM COc1ccc(-c2nc(SCCF)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC001605240062 1351113602 /nfs/dbraw/zinc/11/36/02/1351113602.db2.gz KFDQADCSRUSPMO-UHFFFAOYSA-N -1 1 348.363 2.100 20 0 EEADMM COc1cccc2c1CCC[C@@H](Nc1ncncc1-c1nn[n-]n1)C2 ZINC001605325020 1351137068 /nfs/dbraw/zinc/13/70/68/1351137068.db2.gz NRCVRWMVKQILAN-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM COc1ncc(NC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC001605345948 1351142139 /nfs/dbraw/zinc/14/21/39/1351142139.db2.gz CGSVHUCMJRDZER-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Oc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC001605380525 1351149805 /nfs/dbraw/zinc/14/98/05/1351149805.db2.gz JJRCJBSDMDNZRJ-UHFFFAOYSA-N -1 1 347.331 2.048 20 0 EEADMM CCN(CCNC(=O)/C=C/c1cc(C(=O)[O-])co1)CCC(F)(F)F ZINC001605449767 1351160258 /nfs/dbraw/zinc/16/02/58/1351160258.db2.gz WXBGRSMVEMXQRW-ONEGZZNKSA-N -1 1 348.321 2.382 20 0 EEADMM CCOc1c(Cl)cccc1CN1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001605653130 1351210626 /nfs/dbraw/zinc/21/06/26/1351210626.db2.gz NZGRLZUNENLXLB-VXGBXAGGSA-N -1 1 341.791 2.044 20 0 EEADMM CCc1nnc([C@H](C)OC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[nH]1 ZINC001605842344 1351234031 /nfs/dbraw/zinc/23/40/31/1351234031.db2.gz IAQNVYWULFHEEM-VIFPVBQESA-N -1 1 342.355 2.394 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605887585 1351246649 /nfs/dbraw/zinc/24/66/49/1351246649.db2.gz DXTIOCJXSNOLMU-HNNXBMFYSA-N -1 1 334.383 2.378 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605887585 1351246653 /nfs/dbraw/zinc/24/66/53/1351246653.db2.gz DXTIOCJXSNOLMU-HNNXBMFYSA-N -1 1 334.383 2.378 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1cccs1 ZINC001606012397 1351263428 /nfs/dbraw/zinc/26/34/28/1351263428.db2.gz WMMXJUXKBWXLLL-LLVKDONJSA-N -1 1 334.401 2.266 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccsc1 ZINC001606012162 1351263716 /nfs/dbraw/zinc/26/37/16/1351263716.db2.gz MPNYJSORHNLGSY-LBPRGKRZSA-N -1 1 334.401 2.266 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2nc3ccccc3n2C(F)F)c1C ZINC001606024242 1351264469 /nfs/dbraw/zinc/26/44/69/1351264469.db2.gz YXSMDHFCJHDUQX-UHFFFAOYSA-N -1 1 344.329 2.473 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2nc3ccccc3n2C(F)F)c1C ZINC001606024242 1351264473 /nfs/dbraw/zinc/26/44/73/1351264473.db2.gz YXSMDHFCJHDUQX-UHFFFAOYSA-N -1 1 344.329 2.473 20 0 EEADMM Cc1nc(N[C@H](C)c2cc(F)ccc2N(C)C)cc(-c2nnn[n-]2)n1 ZINC001606061531 1351267298 /nfs/dbraw/zinc/26/72/98/1351267298.db2.gz YTNDKQXGFZWRSC-SECBINFHSA-N -1 1 342.382 2.343 20 0 EEADMM Cc1nc(N[C@H](C)c2cc(F)ccc2N(C)C)cc(-c2nn[n-]n2)n1 ZINC001606061531 1351267301 /nfs/dbraw/zinc/26/73/01/1351267301.db2.gz YTNDKQXGFZWRSC-SECBINFHSA-N -1 1 342.382 2.343 20 0 EEADMM Cc1nsc(C)c1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001606139171 1351278422 /nfs/dbraw/zinc/27/84/22/1351278422.db2.gz DNWBWPVMDJZOAS-UHFFFAOYSA-N -1 1 346.420 2.144 20 0 EEADMM Cc1nsc(C)c1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001606139171 1351278424 /nfs/dbraw/zinc/27/84/24/1351278424.db2.gz DNWBWPVMDJZOAS-UHFFFAOYSA-N -1 1 346.420 2.144 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2c1c(F)ccc2F ZINC001606165970 1351279785 /nfs/dbraw/zinc/27/97/85/1351279785.db2.gz MHBGBTOFRLFLPH-UHFFFAOYSA-N -1 1 331.282 2.249 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2c1c(F)ccc2F ZINC001606165970 1351279788 /nfs/dbraw/zinc/27/97/88/1351279788.db2.gz MHBGBTOFRLFLPH-UHFFFAOYSA-N -1 1 331.282 2.249 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(OC(C)(C)C)CC1 ZINC001606165942 1351279817 /nfs/dbraw/zinc/27/98/17/1351279817.db2.gz LZRTYKWVEVOUAP-UHFFFAOYSA-N -1 1 333.392 2.188 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(OC(C)(C)C)CC1 ZINC001606165942 1351279819 /nfs/dbraw/zinc/27/98/19/1351279819.db2.gz LZRTYKWVEVOUAP-UHFFFAOYSA-N -1 1 333.392 2.188 20 0 EEADMM Cc1nsc(SCCC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC001606163849 1351280302 /nfs/dbraw/zinc/28/03/02/1351280302.db2.gz SASRDSASLNFXBZ-UHFFFAOYSA-N -1 1 327.435 2.456 20 0 EEADMM Cc1nsc(SCCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001606163849 1351280305 /nfs/dbraw/zinc/28/03/05/1351280305.db2.gz SASRDSASLNFXBZ-UHFFFAOYSA-N -1 1 327.435 2.456 20 0 EEADMM Cc1onc(CC(=O)N2CCCCc3sccc32)c1-c1nnn[n-]1 ZINC001606179873 1351282348 /nfs/dbraw/zinc/28/23/48/1351282348.db2.gz LMSCFODYYOUNEY-UHFFFAOYSA-N -1 1 344.400 2.137 20 0 EEADMM Cc1onc(CC(=O)N2CCCCc3sccc32)c1-c1nn[n-]n1 ZINC001606179873 1351282352 /nfs/dbraw/zinc/28/23/52/1351282352.db2.gz LMSCFODYYOUNEY-UHFFFAOYSA-N -1 1 344.400 2.137 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC001606291180 1351289448 /nfs/dbraw/zinc/28/94/48/1351289448.db2.gz YVEXJSIVEIGJCZ-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC001606291180 1351289450 /nfs/dbraw/zinc/28/94/50/1351289450.db2.gz YVEXJSIVEIGJCZ-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM O=C(C[C@H]1CCC2(CCC2)O1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606498926 1351312599 /nfs/dbraw/zinc/31/25/99/1351312599.db2.gz SEDMYZTWWYCEOP-SNVBAGLBSA-N -1 1 334.401 2.463 20 0 EEADMM O=C(CCCCc1ccccc1)NCc1nc(-c2nnn[n-]2)cs1 ZINC001606517130 1351315062 /nfs/dbraw/zinc/31/50/62/1351315062.db2.gz DZCCDOLMZVKCDP-UHFFFAOYSA-N -1 1 342.428 2.352 20 0 EEADMM O=C(CCCCc1ccccc1)NCc1nc(-c2nn[n-]n2)cs1 ZINC001606517130 1351315063 /nfs/dbraw/zinc/31/50/63/1351315063.db2.gz DZCCDOLMZVKCDP-UHFFFAOYSA-N -1 1 342.428 2.352 20 0 EEADMM COC(CN(CCC(=O)[O-])Cc1ccc(-c2ccccn2)nc1)OC ZINC001606674797 1351340652 /nfs/dbraw/zinc/34/06/52/1351340652.db2.gz RVNPNKLVMDOIIE-UHFFFAOYSA-N -1 1 345.399 2.039 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606832452 1351364285 /nfs/dbraw/zinc/36/42/85/1351364285.db2.gz JBEZAOFRYVIGMT-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606832452 1351364289 /nfs/dbraw/zinc/36/42/89/1351364289.db2.gz JBEZAOFRYVIGMT-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606929353 1351378521 /nfs/dbraw/zinc/37/85/21/1351378521.db2.gz SUZQUJBXNPLJSP-UHFFFAOYSA-N -1 1 345.269 2.457 20 0 EEADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606929353 1351378524 /nfs/dbraw/zinc/37/85/24/1351378524.db2.gz SUZQUJBXNPLJSP-UHFFFAOYSA-N -1 1 345.269 2.457 20 0 EEADMM O=C(Nc1ccnn1C1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606944893 1351381010 /nfs/dbraw/zinc/38/10/10/1351381010.db2.gz KWTFUBNORVJRKU-UHFFFAOYSA-N -1 1 334.343 2.132 20 0 EEADMM O=C(O[C@H]1CCCc2nccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001606963879 1351385562 /nfs/dbraw/zinc/38/55/62/1351385562.db2.gz IYPKHSQIHKKIEQ-LBPRGKRZSA-N -1 1 340.318 2.030 20 0 EEADMM O=C(O[C@H]1CCCc2nccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001606963879 1351385568 /nfs/dbraw/zinc/38/55/68/1351385568.db2.gz IYPKHSQIHKKIEQ-LBPRGKRZSA-N -1 1 340.318 2.030 20 0 EEADMM O=C(OCCCCC1CCOCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606968821 1351387811 /nfs/dbraw/zinc/38/78/11/1351387811.db2.gz RHPYLQDPCVZPBY-UHFFFAOYSA-N -1 1 331.376 2.015 20 0 EEADMM O=C(OCCCCC1CCOCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606968821 1351387814 /nfs/dbraw/zinc/38/78/14/1351387814.db2.gz RHPYLQDPCVZPBY-UHFFFAOYSA-N -1 1 331.376 2.015 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1ccc(Cl)cn1 ZINC001607089884 1351413150 /nfs/dbraw/zinc/41/31/50/1351413150.db2.gz DSIAXWAQNLTZEH-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1C[C@@H]3[C@H](C1)C3(F)F)CCCC2 ZINC001607089216 1351413518 /nfs/dbraw/zinc/41/35/18/1351413518.db2.gz KUPZBSLNENNHQO-YSCVYTRNSA-N -1 1 347.369 2.199 20 0 EEADMM O=c1[nH]c2ccccc2cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001607111987 1351423246 /nfs/dbraw/zinc/42/32/46/1351423246.db2.gz RNJAEHVZZUHRTQ-UHFFFAOYSA-N -1 1 348.370 2.333 20 0 EEADMM O=c1[nH]c2ccccc2cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001607111987 1351423248 /nfs/dbraw/zinc/42/32/48/1351423248.db2.gz RNJAEHVZZUHRTQ-UHFFFAOYSA-N -1 1 348.370 2.333 20 0 EEADMM c1cnc2c(c1)CC[C@H]2CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001607136223 1351435417 /nfs/dbraw/zinc/43/54/17/1351435417.db2.gz SQGQVXADJRVOIH-LBPRGKRZSA-N -1 1 334.387 2.071 20 0 EEADMM c1cnc2c(c1)CC[C@H]2CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001607136223 1351435418 /nfs/dbraw/zinc/43/54/18/1351435418.db2.gz SQGQVXADJRVOIH-LBPRGKRZSA-N -1 1 334.387 2.071 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC001607215813 1351450935 /nfs/dbraw/zinc/45/09/35/1351450935.db2.gz KGQDPGGEIZUPIB-DGCLKSJQSA-N -1 1 333.306 2.281 20 0 EEADMM COc1ccc([C@H](NCc2ccc(F)c(OC)c2)C(=O)[O-])cc1O ZINC001607235714 1351455877 /nfs/dbraw/zinc/45/58/77/1351455877.db2.gz XYHRSJKEHRERQT-INIZCTEOSA-N -1 1 335.331 2.464 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C2CC2)nn1C ZINC001607598642 1351522022 /nfs/dbraw/zinc/52/20/22/1351522022.db2.gz OFRKKQXNRUODSV-UHFFFAOYSA-N -1 1 335.385 2.105 20 0 EEADMM Cc1cccc(CC2(O)CCN(Cc3oncc3C(=O)[O-])CC2)c1 ZINC001607850355 1351571423 /nfs/dbraw/zinc/57/14/23/1351571423.db2.gz PDZHTSCLRMFZEJ-UHFFFAOYSA-N -1 1 330.384 2.251 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCC[C@H](CO)C3)c12 ZINC001607965515 1351594397 /nfs/dbraw/zinc/59/43/97/1351594397.db2.gz NUWHTZGIRRMMHL-WDEREUQCSA-N -1 1 335.429 2.391 20 0 EEADMM Cc1oc(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1C(=O)[O-] ZINC001608050439 1351614775 /nfs/dbraw/zinc/61/47/75/1351614775.db2.gz YOYTVOIVDSSMAM-MRVPVSSYSA-N -1 1 335.364 2.088 20 0 EEADMM NC(=O)c1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC001608244861 1351654879 /nfs/dbraw/zinc/65/48/79/1351654879.db2.gz CTACNQUUQALDLM-INIZCTEOSA-N -1 1 328.343 2.109 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(Cc2nc[nH]n2)cc1)c1cccs1 ZINC001608387001 1351683904 /nfs/dbraw/zinc/68/39/04/1351683904.db2.gz FRQNUFQYKHWBPT-CQSZACIVSA-N -1 1 342.380 2.013 20 0 EEADMM N#Cc1nc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)[n-]c1C#N ZINC000029667179 1352376633 /nfs/dbraw/zinc/37/66/33/1352376633.db2.gz HTMQEABEZYYKIY-UHFFFAOYSA-N -1 1 337.730 2.449 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2ccnc(-c3ccco3)c2)n[nH]1 ZINC001624441956 1352421498 /nfs/dbraw/zinc/42/14/98/1352421498.db2.gz FSEFIRZIAATKID-UHFFFAOYSA-N -1 1 326.312 2.494 20 0 EEADMM Cc1noc(C)c1CSc1ccccc1C(=O)N(C)c1nn[n-]n1 ZINC001642426199 1352730956 /nfs/dbraw/zinc/73/09/56/1352730956.db2.gz BSKKTTDBSKNWOK-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM C[C@H](C1CC1)N(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001646894969 1353031766 /nfs/dbraw/zinc/03/17/66/1353031766.db2.gz HGZOXGWDNUKNRD-YPMHNXCESA-N -1 1 346.435 2.178 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@@H](O)C1CCCC1 ZINC001647332961 1353234018 /nfs/dbraw/zinc/23/40/18/1353234018.db2.gz JAKCTYXYDLHCMY-CYBMUJFWSA-N -1 1 349.399 2.193 20 0 EEADMM O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001649892188 1353639667 /nfs/dbraw/zinc/63/96/67/1353639667.db2.gz JWOFXSXBSRVSAE-CYBMUJFWSA-N -1 1 339.395 2.071 20 0 EEADMM C[C@@H]1CN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)C[C@@H](C)S1 ZINC001650527263 1353973295 /nfs/dbraw/zinc/97/32/95/1353973295.db2.gz HMPMIVQLWQNMOK-NXEZZACHSA-N -1 1 334.449 2.114 20 0 EEADMM Cc1cccc2nc(C(=O)NCc3n[n-]c(=S)n3C(C)C)cn21 ZINC000066640688 1354078621 /nfs/dbraw/zinc/07/86/21/1354078621.db2.gz UFIXGIRZKKXFDU-UHFFFAOYSA-N -1 1 330.417 2.408 20 0 EEADMM O=S(=O)([N-]Cc1coc(-c2cccs2)n1)c1c[nH]nc1Cl ZINC001661035938 1354577772 /nfs/dbraw/zinc/57/77/72/1354577772.db2.gz XPOLUDPDPUIVDJ-UHFFFAOYSA-N -1 1 344.805 2.258 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1C[C@@]1(C)CC ZINC001388576525 1387564589 /nfs/dbraw/zinc/56/45/89/1387564589.db2.gz WDDPTLYWGFKARG-FZKQIMNGSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001388739446 1387687875 /nfs/dbraw/zinc/68/78/75/1387687875.db2.gz NDIGDWNQPCRWMS-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000818312505 1367424662 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EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H](C)c1cccs1 ZINC001369819336 1374665125 /nfs/dbraw/zinc/66/51/25/1374665125.db2.gz BMAWOSBMUGIOGB-NWDGAFQWSA-N -1 1 347.440 2.229 20 0 EEADMM CCC(CC)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001370338414 1374891979 /nfs/dbraw/zinc/89/19/79/1374891979.db2.gz LUZFBDADSBZMCB-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccccc1F ZINC001371324821 1375383753 /nfs/dbraw/zinc/38/37/53/1375383753.db2.gz KSBFPSNLYRYTKP-GFCCVEGCSA-N -1 1 345.374 2.207 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)CC(C)C ZINC001375060109 1377329441 /nfs/dbraw/zinc/32/94/41/1377329441.db2.gz NPQKBZWBEYUQHN-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM CCCC(=O)N[C@@]1(CNC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001375396756 1377689250 /nfs/dbraw/zinc/68/92/50/1377689250.db2.gz FLUOWNRTJMNPQA-SCLBCKFNSA-N -1 1 333.432 2.382 20 0 EEADMM CC[C@@H](CNC(=O)c1ccoc1C(C)C)NC(=O)c1ncccc1[O-] ZINC001390505797 1388659356 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O=C(CCC1CC1)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001386589567 1386200160 /nfs/dbraw/zinc/20/01/60/1386200160.db2.gz WMZMJBBBHTYKJD-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM CC[C@@H](C)CCC(=O)N[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001386784590 1386316944 /nfs/dbraw/zinc/31/69/44/1386316944.db2.gz TWMDMQOWIISMBI-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM CCC(CC)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387230015 1386582405 /nfs/dbraw/zinc/58/24/05/1386582405.db2.gz YWDVZOOMWJSHAO-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387480201 1386766636 /nfs/dbraw/zinc/76/66/36/1386766636.db2.gz CBPSHKVFCIUAFR-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387543059 1386820246 /nfs/dbraw/zinc/82/02/46/1386820246.db2.gz QSVRHCKAXUQRLE-HNNXBMFYSA-N -1 1 341.411 2.421 20 0 EEADMM O=C(NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-])[C@@H]1CC12CC2 ZINC001391475899 1389384212 /nfs/dbraw/zinc/38/42/12/1389384212.db2.gz CLENROZXFJMUMB-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H](CNC(=O)[C@H]1CCCC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001392775748 1390192533 /nfs/dbraw/zinc/19/25/33/1390192533.db2.gz ZRLKDPUUYHYQTI-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001393302406 1390401142 /nfs/dbraw/zinc/40/11/42/1390401142.db2.gz GMZQQYFMFRLBFI-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)NCC2(C)CCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001394503182 1390715720 /nfs/dbraw/zinc/71/57/20/1390715720.db2.gz NUQXUJWHINNAKW-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC1(C(=O)NC[C@H](C2CC2)N(C)C(=O)c2ncccc2[O-])CC1 ZINC001395488545 1390828171 /nfs/dbraw/zinc/82/81/71/1390828171.db2.gz QHVZAVCVADHCKD-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ncccc1[O-] ZINC001396126997 1390908421 /nfs/dbraw/zinc/90/84/21/1390908421.db2.gz AAEATCMYFICIHG-BBEGDGIKSA-N -1 1 345.443 2.238 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001398169421 1391767376 /nfs/dbraw/zinc/76/73/76/1391767376.db2.gz IXHYIHPDKQQXNP-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccc(C)o1 ZINC001398935738 1394336050 /nfs/dbraw/zinc/33/60/50/1394336050.db2.gz DSZMEFTXWBEGQQ-OLZOCXBDSA-N -1 1 345.399 2.117 20 0 EEADMM CC[C@H](CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001399691841 1395410351 /nfs/dbraw/zinc/41/03/51/1395410351.db2.gz HSDIKKLDLHNWQB-CQSZACIVSA-N -1 1 335.448 2.390 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001399773599 1395505374 /nfs/dbraw/zinc/50/53/74/1395505374.db2.gz LQPDELBRAOKTMI-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(CC)C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001423721908 1400768486 /nfs/dbraw/zinc/76/84/86/1400768486.db2.gz ILSBRNWICCCUBR-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CCC1CCCC1 ZINC001424108609 1400916018 /nfs/dbraw/zinc/91/60/18/1400916018.db2.gz UTBQMEQXRKCZLD-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)C1(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001424673898 1401210675 /nfs/dbraw/zinc/21/06/75/1401210675.db2.gz XGMORIJORSBXIG-ZIAGYGMSSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)C1(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001424673895 1401210773 /nfs/dbraw/zinc/21/07/73/1401210773.db2.gz XGMORIJORSBXIG-KBPBESRZSA-N -1 1 345.443 2.381 20 0 EEADMM CSc1nc(CNC(=O)Nc2cn(C)nc2C(C)C)cc(=O)[n-]1 ZINC001425620178 1401676716 /nfs/dbraw/zinc/67/67/16/1401676716.db2.gz QAEQVAMIVZSVQG-UHFFFAOYSA-N -1 1 336.421 2.083 20 0 EEADMM CC(C)C1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001426711049 1402155418 /nfs/dbraw/zinc/15/54/18/1402155418.db2.gz OTGZQMPQSITVMG-ZIAGYGMSSA-N -1 1 345.443 2.381 20 0 EEADMM CCC(CC)C(=O)N(C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001427473152 1402435268 /nfs/dbraw/zinc/43/52/68/1402435268.db2.gz RMQQIKIUZZRDJQ-NSHDSACASA-N -1 1 348.447 2.073 20 0 EEADMM C[C@@H](C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CCC1 ZINC001428366754 1402693096 /nfs/dbraw/zinc/69/30/96/1402693096.db2.gz KVTYQNMDSNLGFG-IUODEOHRSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)CC1(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001433771368 1403431001 /nfs/dbraw/zinc/43/10/01/1403431001.db2.gz GNUUODBOHNTRIQ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001578423658 1403752620 /nfs/dbraw/zinc/75/26/20/1403752620.db2.gz RMJHUJYAIXKINS-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001578423658 1403752625 /nfs/dbraw/zinc/75/26/25/1403752625.db2.gz RMJHUJYAIXKINS-GFCCVEGCSA-N -1 1 326.335 2.282 20 0 EEADMM COc1ncc(NC(=O)c2cccc3c2CCC3)cc1-c1nn[n-]n1 ZINC001580140248 1403832717 /nfs/dbraw/zinc/83/27/17/1403832717.db2.gz YRAYHTBBGOSRBO-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM CCC[C@H](C)N(C)S(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590551418 1403887181 /nfs/dbraw/zinc/88/71/81/1403887181.db2.gz ZCXUPMFCRCBJBX-JTQLQIEISA-N -1 1 341.412 2.123 20 0 EEADMM CCNC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001590744825 1403892010 /nfs/dbraw/zinc/89/20/10/1403892010.db2.gz QPQZYMALBHDLTQ-UHFFFAOYSA-N -1 1 328.401 2.290 20 0 EEADMM COC(=O)c1ccc(SCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC001591298707 1403903095 /nfs/dbraw/zinc/90/30/95/1403903095.db2.gz VWTAPKNYUDACKR-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM COC(=O)c1ccc(SCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC001591298707 1403903107 /nfs/dbraw/zinc/90/31/07/1403903107.db2.gz VWTAPKNYUDACKR-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CO[C@H](Cn1ccn2ncc(-c3nn[n-]n3)c12)c1ccc(Cl)cc1 ZINC001591333759 1403906374 /nfs/dbraw/zinc/90/63/74/1403906374.db2.gz JIXQDSBLLWKXFK-CYBMUJFWSA-N -1 1 343.778 2.357 20 0 EEADMM COCc1ccc([C@@H]2CCCN2c2cccnc2-c2nnn[n-]2)o1 ZINC001591455821 1403913942 /nfs/dbraw/zinc/91/39/42/1403913942.db2.gz FLIKLWLUKGNBCY-LBPRGKRZSA-N -1 1 326.360 2.343 20 0 EEADMM COCc1ccc([C@@H]2CCCN2c2cccnc2-c2nn[n-]n2)o1 ZINC001591455821 1403913947 /nfs/dbraw/zinc/91/39/47/1403913947.db2.gz FLIKLWLUKGNBCY-LBPRGKRZSA-N -1 1 326.360 2.343 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001591652116 1403935792 /nfs/dbraw/zinc/93/57/92/1403935792.db2.gz DTMYWSFUZWVLCK-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccccc1CC(C)(C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001591652116 1403935803 /nfs/dbraw/zinc/93/58/03/1403935803.db2.gz DTMYWSFUZWVLCK-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)C(C)(C)C ZINC001591787759 1403951422 /nfs/dbraw/zinc/95/14/22/1403951422.db2.gz RVNRNVLGYZDPCQ-LLVKDONJSA-N -1 1 346.435 2.068 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c2ncccc12 ZINC001592128744 1404000657 /nfs/dbraw/zinc/00/06/57/1404000657.db2.gz WCQNURBCXIRKGH-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c2ncccc12 ZINC001592128744 1404000664 /nfs/dbraw/zinc/00/06/64/1404000664.db2.gz WCQNURBCXIRKGH-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1ccc(C)c(OCCCn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001592139829 1404004827 /nfs/dbraw/zinc/00/48/27/1404004827.db2.gz CJDVLOHLHNTOLE-UHFFFAOYSA-N -1 1 337.387 2.402 20 0 EEADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592456077 1404690218 /nfs/dbraw/zinc/69/02/18/1404690218.db2.gz GBVSJHPQQZGDEI-LURJTMIESA-N -1 1 347.766 2.011 20 0 EEADMM Cc1nsc(Nc2cnn(Cc3ccccn3)c2)c1-c1nn[n-]n1 ZINC001592494228 1404702772 /nfs/dbraw/zinc/70/27/72/1404702772.db2.gz QRKHHODGPAUBBX-UHFFFAOYSA-N -1 1 339.388 2.015 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc2scnc2c1 ZINC001592915833 1404729209 /nfs/dbraw/zinc/72/92/09/1404729209.db2.gz SCVSQTINQFFNBZ-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc2scnc2c1 ZINC001592915833 1404729212 /nfs/dbraw/zinc/72/92/12/1404729212.db2.gz SCVSQTINQFFNBZ-UHFFFAOYSA-N -1 1 337.368 2.053 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1coc(-c2nnn[n-]2)c1 ZINC001593004354 1404733661 /nfs/dbraw/zinc/73/36/61/1404733661.db2.gz ODMPCZDERCQEFT-LBPRGKRZSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1coc(-c2nn[n-]n2)c1 ZINC001593004354 1404733666 /nfs/dbraw/zinc/73/36/66/1404733666.db2.gz ODMPCZDERCQEFT-LBPRGKRZSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(NC[C@H]1CC12CCSCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001593028537 1404734872 /nfs/dbraw/zinc/73/48/72/1404734872.db2.gz QCZVCYAJXBXPJV-SECBINFHSA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NC[C@H]1CC12CCSCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001593028537 1404734875 /nfs/dbraw/zinc/73/48/75/1404734875.db2.gz QCZVCYAJXBXPJV-SECBINFHSA-N -1 1 335.458 2.191 20 0 EEADMM Cc1[nH]nc(NC(=O)c2c(C)occ2C(F)(F)F)c1-c1nn[n-]n1 ZINC001606014244 1404754882 /nfs/dbraw/zinc/75/48/82/1404754882.db2.gz FDTQIXDVZPOEJB-UHFFFAOYSA-N -1 1 341.253 2.071 20 0 EEADMM Clc1ccc(OCCCOc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001606193572 1404776926 /nfs/dbraw/zinc/77/69/26/1404776926.db2.gz HMEYAPRAUMAEAL-UHFFFAOYSA-N -1 1 332.751 2.158 20 0 EEADMM Cn1cnc2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)ccc21 ZINC001606262581 1404778656 /nfs/dbraw/zinc/77/86/56/1404778656.db2.gz IVYFHEABGRUDDG-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Cn1cnc2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc21 ZINC001606262581 1404778663 /nfs/dbraw/zinc/77/86/63/1404778663.db2.gz IVYFHEABGRUDDG-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@H](Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001606312805 1404789050 /nfs/dbraw/zinc/78/90/50/1404789050.db2.gz DKIZKSQWVSWHEM-SNVBAGLBSA-N -1 1 332.289 2.200 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@H](Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001606312805 1404789058 /nfs/dbraw/zinc/78/90/58/1404789058.db2.gz DKIZKSQWVSWHEM-SNVBAGLBSA-N -1 1 332.289 2.200 20 0 EEADMM Fc1ccc(CNc2nc3ccccn3n2)c(Cl)c1-c1nnn[n-]1 ZINC001606319221 1404792041 /nfs/dbraw/zinc/79/20/41/1404792041.db2.gz MMHNERJJYXPQDD-UHFFFAOYSA-N -1 1 344.741 2.314 20 0 EEADMM Fc1ccc(CNc2nc3ccccn3n2)c(Cl)c1-c1nn[n-]n1 ZINC001606319221 1404792046 /nfs/dbraw/zinc/79/20/46/1404792046.db2.gz MMHNERJJYXPQDD-UHFFFAOYSA-N -1 1 344.741 2.314 20 0 EEADMM Fc1cccc2c1CN(Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001606332540 1404795692 /nfs/dbraw/zinc/79/56/92/1404795692.db2.gz LWLUOBIVMFOEFP-UHFFFAOYSA-N -1 1 331.376 2.462 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1noc(C)n1 ZINC000122381830 1404924266 /nfs/dbraw/zinc/92/42/66/1404924266.db2.gz SHIQDIRMXHHXBQ-LLVKDONJSA-N -1 1 331.344 2.394 20 0 EEADMM C/C=C(\C)C(=O)N(C)[C@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001756052666 1408107672 /nfs/dbraw/zinc/10/76/72/1408107672.db2.gz XBBCXRUXRJQMLW-JATZPVMKSA-N -1 1 348.447 2.157 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)CCCNC(=O)c2ncccc2[O-])cc1 ZINC001756348205 1408356966 /nfs/dbraw/zinc/35/69/66/1408356966.db2.gz ZUHCRNYQPSQRSS-CQSZACIVSA-N -1 1 341.411 2.424 20 0 EEADMM O=C(OCCN1CCC=N1)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC001772358897 1410147000 /nfs/dbraw/zinc/14/70/00/1410147000.db2.gz UYIDDQVJLKYMHD-UHFFFAOYSA-N -1 1 341.367 2.220 20 0 EEADMM Cc1cc(C)cc(CN2CCN(CCCCS(=O)(=O)[O-])CC2)c1 ZINC001204525219 758104799 /nfs/dbraw/zinc/10/47/99/758104799.db2.gz TUNGBQHHEOBQKU-UHFFFAOYSA-N -1 1 340.489 2.089 20 0 EEADMM CC(C)CCC(=O)NCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001075544164 765366282 /nfs/dbraw/zinc/36/62/82/765366282.db2.gz PHHKQOCQVOUJKC-LBPRGKRZSA-N -1 1 348.447 2.120 20 0 EEADMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1F)c1nccs1 ZINC000692803435 769736880 /nfs/dbraw/zinc/73/68/80/769736880.db2.gz UGSRMDJDAFZMPT-SSDOTTSWSA-N -1 1 335.813 2.413 20 0 EEADMM CCCc1nc(CN2CC(CNC(=O)c3ncccc3[O-])C2)cs1 ZINC001031627028 770437517 /nfs/dbraw/zinc/43/75/17/770437517.db2.gz AJDUFMFLDXZIDS-UHFFFAOYSA-N -1 1 346.456 2.058 20 0 EEADMM O=S(=O)([N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Cl)nc1F ZINC000920500592 770729662 /nfs/dbraw/zinc/72/96/62/770729662.db2.gz HYSSUOJJTSIQGE-ZLKJLUDKSA-N -1 1 338.791 2.491 20 0 EEADMM CN1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000921414741 773344607 /nfs/dbraw/zinc/34/46/07/773344607.db2.gz VWSQLFFXBDENSC-QMMMGPOBSA-N -1 1 342.770 2.341 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H](N(CC)C(=O)c2ncccc2[O-])C1 ZINC000942757525 783144687 /nfs/dbraw/zinc/14/46/87/783144687.db2.gz GUYZFCGYGDHIHX-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000942758557 783147186 /nfs/dbraw/zinc/14/71/86/783147186.db2.gz OOHIUSSMZPLTRF-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM O=C([O-])[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)c2ccccc21 ZINC000846715958 790455218 /nfs/dbraw/zinc/45/52/18/790455218.db2.gz IEMZSLAVLSLOBY-ZFWWWQNUSA-N -1 1 325.368 2.332 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000939804198 777411106 /nfs/dbraw/zinc/41/11/06/777411106.db2.gz UPNYVFWRFHHYIP-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CCOC(=O)c1cc(NC(=O)C(F)(F)c2ccc(OC)cc2)n[nH]1 ZINC000183276765 780674998 /nfs/dbraw/zinc/67/49/98/780674998.db2.gz DBRXEAKUJWMASX-UHFFFAOYSA-N -1 1 339.298 2.326 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1ccc2c(c1)CCO2 ZINC000084302639 790839011 /nfs/dbraw/zinc/83/90/11/790839011.db2.gz BISKKKVXZSHKMJ-UHFFFAOYSA-N -1 1 333.417 2.260 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3nc(N)ncc3c2)c1 ZINC001213110390 781491057 /nfs/dbraw/zinc/49/10/57/781491057.db2.gz VKAOGNXEDLUHMH-UHFFFAOYSA-N -1 1 344.396 2.455 20 0 EEADMM C[C@@H](Nc1cnc(F)cn1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001061839901 783749364 /nfs/dbraw/zinc/74/93/64/783749364.db2.gz JHSYTNPZVKJTIN-LLVKDONJSA-N -1 1 345.378 2.069 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](NC(=O)c1c([O-])cccc1Cl)C(N)=O ZINC000816799892 784268693 /nfs/dbraw/zinc/26/86/93/784268693.db2.gz PEBRZYITUZCIOD-MEBBXXQBSA-N -1 1 332.787 2.433 20 0 EEADMM C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000945600317 784438319 /nfs/dbraw/zinc/43/83/19/784438319.db2.gz JKQHYLOAHWWPJN-DZGCQCFKSA-N -1 1 347.463 2.132 20 0 EEADMM CCC1(C(=O)N2CCC[C@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC000945676662 784608195 /nfs/dbraw/zinc/60/81/95/784608195.db2.gz MCLPMUVTLVPYIY-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCSC[C@H]2c2nn[n-]n2)o1 ZINC000907473007 784640934 /nfs/dbraw/zinc/64/09/34/784640934.db2.gz AZPXLFCDQZTOSS-WXHSDQCUSA-N -1 1 347.444 2.165 20 0 EEADMM O=C(/C=C\Sc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907474568 784643427 /nfs/dbraw/zinc/64/34/27/784643427.db2.gz XPWDUMNLUIIWMB-XYLWRLHESA-N -1 1 333.442 2.122 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945717882 784710623 /nfs/dbraw/zinc/71/06/23/784710623.db2.gz XFPNEJYLQMDTIX-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)n[nH]1 ZINC000907824807 784891535 /nfs/dbraw/zinc/89/15/35/784891535.db2.gz WWALOBMWYRQGRV-GYOIFBIXSA-N -1 1 327.384 2.024 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000946026628 785318461 /nfs/dbraw/zinc/31/84/61/785318461.db2.gz ZLUPZSWRABWOJP-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cccc2c1OC[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC000908302688 785322519 /nfs/dbraw/zinc/32/25/19/785322519.db2.gz ZFVXOMBRYDPOHA-ZDUSSCGKSA-N -1 1 325.368 2.102 20 0 EEADMM O=S(=O)([N-]CCOC1CCSCC1)c1cccc(F)c1F ZINC000908461287 785430142 /nfs/dbraw/zinc/43/01/42/785430142.db2.gz NNGVTTVHHUFKAR-UHFFFAOYSA-N -1 1 337.413 2.155 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000908608039 785562352 /nfs/dbraw/zinc/56/23/52/785562352.db2.gz HEHHJLYBMVDTRI-SWLSCSKDSA-N -1 1 331.347 2.301 20 0 EEADMM CNC(=S)n1[n-]c(Cc2cccc(Br)c2)cc1=O ZINC001245943116 785616520 /nfs/dbraw/zinc/61/65/20/785616520.db2.gz FHXLHLXBTXTSKW-UHFFFAOYSA-N -1 1 326.219 2.294 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000908710428 785662860 /nfs/dbraw/zinc/66/28/60/785662860.db2.gz PZXYNTCVHKIYNG-JTQLQIEISA-N -1 1 346.305 2.320 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1cccs1)N(C)C)C1CCC1 ZINC000908745971 785684566 /nfs/dbraw/zinc/68/45/66/785684566.db2.gz GJSNCYZZWLTDCS-YPMHNXCESA-N -1 1 339.461 2.388 20 0 EEADMM CC[C@H](C)C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908809797 785741917 /nfs/dbraw/zinc/74/19/17/785741917.db2.gz ZMEBUOQLSSVFIB-YOEHRIQHSA-N -1 1 347.459 2.233 20 0 EEADMM CC[C@H](C)C[C@H](NC(=O)NCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908809797 785741920 /nfs/dbraw/zinc/74/19/20/785741920.db2.gz ZMEBUOQLSSVFIB-YOEHRIQHSA-N -1 1 347.459 2.233 20 0 EEADMM CCC(CC)(NC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000908814211 785748579 /nfs/dbraw/zinc/74/85/79/785748579.db2.gz OICBAROAKYMKJH-GFCCVEGCSA-N -1 1 327.450 2.293 20 0 EEADMM C[C@@H]1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2)[C@@H](c2ccco2)C1 ZINC000908834351 785766971 /nfs/dbraw/zinc/76/69/71/785766971.db2.gz HCTHJSVFQDTJLL-RBSFLKMASA-N -1 1 334.416 2.376 20 0 EEADMM CN(CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)[C@@H]1CCSC1 ZINC000908936238 785859163 /nfs/dbraw/zinc/85/91/63/785859163.db2.gz IHPGPUHSCHTSRN-CABCVRRESA-N -1 1 336.457 2.146 20 0 EEADMM CC(C)Cc1nsc(NC/C=C\CNC(=O)c2ncccc2[O-])n1 ZINC001107140253 786019129 /nfs/dbraw/zinc/01/91/29/786019129.db2.gz YEPQFBBJPQOESE-ARJAWSKDSA-N -1 1 347.444 2.235 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NC2(c3ccccc3Cl)CC2)C1 ZINC000909856059 786286251 /nfs/dbraw/zinc/28/62/51/786286251.db2.gz KIRZLGGWJBPQLS-LBPRGKRZSA-N -1 1 336.819 2.242 20 0 EEADMM CC[C@@](CNC(=O)c1[nH]nc2c1CCC2)(C(=O)[O-])c1ccccc1 ZINC000909847031 786301351 /nfs/dbraw/zinc/30/13/51/786301351.db2.gz WRDZZYBNZKHWPF-SFHVURJKSA-N -1 1 327.384 2.061 20 0 EEADMM Cc1ccc(C2(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)CCC2)cc1 ZINC000909871023 786305641 /nfs/dbraw/zinc/30/56/41/786305641.db2.gz LHEOSGMMQQPJSB-HNNXBMFYSA-N -1 1 330.428 2.287 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccc(O)c(Cl)c2)C(=O)[O-])C1 ZINC000909906849 786337052 /nfs/dbraw/zinc/33/70/52/786337052.db2.gz HUIUSYGEMABZCB-GLXFQSAKSA-N -1 1 341.791 2.434 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)C2)c1 ZINC000910015159 786405494 /nfs/dbraw/zinc/40/54/94/786405494.db2.gz WNKTZJUBKOWRCJ-DLBZAZTESA-N -1 1 330.428 2.108 20 0 EEADMM CC1(C(=O)[O-])CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000910058504 786422628 /nfs/dbraw/zinc/42/26/28/786422628.db2.gz HGPCQFQXGHYMKB-UHFFFAOYSA-N -1 1 325.777 2.338 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCc3cccnc32)c1 ZINC000820780607 786455127 /nfs/dbraw/zinc/45/51/27/786455127.db2.gz WSQLTAFKMPFSFD-WNSKOXEYSA-N -1 1 331.393 2.429 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc12 ZINC000910169587 786493140 /nfs/dbraw/zinc/49/31/40/786493140.db2.gz DZQYYQRGSCETII-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM O=C([O-])[C@]12CN(C(=O)c3ccc(-c4nnc[nH]4)cc3)C[C@H]1CCCC2 ZINC000910152725 786501937 /nfs/dbraw/zinc/50/19/37/786501937.db2.gz UDGJCUHPIIBCIE-RDTXWAMCSA-N -1 1 340.383 2.189 20 0 EEADMM CCCC[C@@H](CCC)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821040540 786569885 /nfs/dbraw/zinc/56/98/85/786569885.db2.gz MZVUICVPAVYYOS-LLVKDONJSA-N -1 1 334.428 2.328 20 0 EEADMM CCCC[C@@H](CCC)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821040540 786569887 /nfs/dbraw/zinc/56/98/87/786569887.db2.gz MZVUICVPAVYYOS-LLVKDONJSA-N -1 1 334.428 2.328 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCc3ccc(Cl)cc32)C1 ZINC000910254585 786584327 /nfs/dbraw/zinc/58/43/27/786584327.db2.gz IXBZIGKZSMNJAL-WFASDCNBSA-N -1 1 336.819 2.240 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc(Cl)cc1F ZINC000821124024 786608906 /nfs/dbraw/zinc/60/89/06/786608906.db2.gz LUGBYCZLDQHIAJ-UHFFFAOYSA-N -1 1 326.802 2.398 20 0 EEADMM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000910368545 786698466 /nfs/dbraw/zinc/69/84/66/786698466.db2.gz GTTOQDYBRYPGIY-LSDHHAIUSA-N -1 1 336.457 2.064 20 0 EEADMM CN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000911064506 787226680 /nfs/dbraw/zinc/22/66/80/787226680.db2.gz YDSOWHRPZQAWNJ-CQSZACIVSA-N -1 1 344.333 2.432 20 0 EEADMM COc1cccc([C@@H](CNC(=O)c2cc(C(=O)[O-])oc2C)N(C)C)c1 ZINC000911105172 787245387 /nfs/dbraw/zinc/24/53/87/787245387.db2.gz QRCOPRKAERSFRD-OAHLLOKOSA-N -1 1 346.383 2.328 20 0 EEADMM Cc1ncc(C(=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911106548 787247006 /nfs/dbraw/zinc/24/70/06/787247006.db2.gz LAMVLVTXRBWPMQ-MRXNPFEDSA-N -1 1 339.395 2.093 20 0 EEADMM CCn1cc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)c2ccccc21 ZINC000912859863 788416800 /nfs/dbraw/zinc/41/68/00/788416800.db2.gz GUOCHSCFLCHQMP-ZDUSSCGKSA-N -1 1 344.444 2.399 20 0 EEADMM CSCC[C@H](NC(=O)c1ccccc1C(F)(F)F)c1nn[n-]n1 ZINC000912860257 788418000 /nfs/dbraw/zinc/41/80/00/788418000.db2.gz PYUMIAXHUSHDEE-JTQLQIEISA-N -1 1 345.350 2.443 20 0 EEADMM Cc1cnc(CN2CCC([C@@H](C)NC(=O)c3ncccc3[O-])CC2)o1 ZINC000997039446 788539825 /nfs/dbraw/zinc/53/98/25/788539825.db2.gz NUXGXWHLHCUFKJ-CYBMUJFWSA-N -1 1 344.415 2.114 20 0 EEADMM CCCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCC1 ZINC000825259737 788541092 /nfs/dbraw/zinc/54/10/92/788541092.db2.gz KQLXPFOQGOYSSV-LBPRGKRZSA-N -1 1 332.408 2.181 20 0 EEADMM CCCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCC1 ZINC000825259737 788541103 /nfs/dbraw/zinc/54/11/03/788541103.db2.gz KQLXPFOQGOYSSV-LBPRGKRZSA-N -1 1 332.408 2.181 20 0 EEADMM Cc1cscc1C(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005866679 788572709 /nfs/dbraw/zinc/57/27/09/788572709.db2.gz OCZYPNWXYDTZHQ-NSHDSACASA-N -1 1 345.424 2.048 20 0 EEADMM O=C(c1ccc(C2CCCC2)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496815 788948449 /nfs/dbraw/zinc/94/84/49/788948449.db2.gz DVKQRNOSNRWGSI-HNNXBMFYSA-N -1 1 327.388 2.071 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]([C@@H]2CCCO2)C1 ZINC000923158755 788998996 /nfs/dbraw/zinc/99/89/96/788998996.db2.gz LZJZFBKLAIRGSB-RLCCDNCMSA-N -1 1 343.383 2.047 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001005955453 789002958 /nfs/dbraw/zinc/00/29/58/789002958.db2.gz FWVWKKWJYCTIGJ-KGLIPLIRSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CC2CC(C)(C)C2)C1 ZINC001005956511 789005580 /nfs/dbraw/zinc/00/55/80/789005580.db2.gz KZTOAVQYKCYJJX-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(NC1CN(Cc2ccc(Cl)c(F)c2)C1)c1ncccc1[O-] ZINC001030240064 789859031 /nfs/dbraw/zinc/85/90/31/789859031.db2.gz REQOBFLFYBUNHP-UHFFFAOYSA-N -1 1 335.766 2.194 20 0 EEADMM CC(C)c1nccc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060856456 790113555 /nfs/dbraw/zinc/11/35/55/790113555.db2.gz IRUZXGFOVLUFOO-CYBMUJFWSA-N -1 1 341.415 2.275 20 0 EEADMM O=c1oc2cc([O-])ccc2cc1Nc1cccnc1N1CCOCC1 ZINC001212354224 790204259 /nfs/dbraw/zinc/20/42/59/790204259.db2.gz JCNNWGLDNKOZST-UHFFFAOYSA-N -1 1 339.351 2.474 20 0 EEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])Nc1cnn(CC2CC2)c1 ZINC000186297548 791835832 /nfs/dbraw/zinc/83/58/32/791835832.db2.gz ZWJNRLZTNBMPCN-UHFFFAOYSA-N -1 1 349.778 2.119 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2csc(Br)n2)c1[O-] ZINC001147834131 791990367 /nfs/dbraw/zinc/99/03/67/791990367.db2.gz NSSCDYLOXCMSFL-UHFFFAOYSA-N -1 1 344.190 2.059 20 0 EEADMM Cc1ncc(CO)c(C(=O)N(C)Cc2nc3ccccc3o2)c1[O-] ZINC001147837681 791995752 /nfs/dbraw/zinc/99/57/52/791995752.db2.gz BHEUNNOAWBFOOL-UHFFFAOYSA-N -1 1 327.340 2.001 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1cc(F)ncn1 ZINC001063938274 792000944 /nfs/dbraw/zinc/00/09/44/792000944.db2.gz OBPCXRSJXNLYOE-NWDGAFQWSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ncc(CO)c(C(=O)NCCOc2cccc3ccoc32)c1[O-] ZINC001147848712 792006040 /nfs/dbraw/zinc/00/60/40/792006040.db2.gz QKMWMIVUNJYHLS-UHFFFAOYSA-N -1 1 342.351 2.143 20 0 EEADMM Cc1cc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)n(-c2ccccc2)n1 ZINC001147849146 792008139 /nfs/dbraw/zinc/00/81/39/792008139.db2.gz DGNVLYRNTJDMRK-UHFFFAOYSA-N -1 1 340.299 2.032 20 0 EEADMM Cc1cc(Cl)nc(Cl)c1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001147903417 792050320 /nfs/dbraw/zinc/05/03/20/792050320.db2.gz NJCTUJKYTZRPIW-UHFFFAOYSA-N -1 1 339.142 2.321 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](C)c3cnn(C)c3)cc2)[n-]1 ZINC001148336092 792345868 /nfs/dbraw/zinc/34/58/68/792345868.db2.gz LWGSAGNHDJVNEE-LBPRGKRZSA-N -1 1 325.372 2.024 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cc(F)ncn1)c1ncccc1[O-] ZINC001064171419 792591201 /nfs/dbraw/zinc/59/12/01/792591201.db2.gz LZQAXRJGPZGGCY-NWDGAFQWSA-N -1 1 345.378 2.117 20 0 EEADMM O=C(Nc1ccc2c(c1)N=NC2)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926423 792815163 /nfs/dbraw/zinc/81/51/63/792815163.db2.gz NFRWFHXUFSEFKT-UHFFFAOYSA-N -1 1 333.325 2.489 20 0 EEADMM Cc1c(NC(=O)c2cc([O-])c(Br)c(O)c2)ncn1C ZINC001148981607 792838139 /nfs/dbraw/zinc/83/81/39/792838139.db2.gz MVGWLYCCSKVHDE-UHFFFAOYSA-N -1 1 326.150 2.155 20 0 EEADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCC1)c1occc1Cl ZINC001064415992 793100950 /nfs/dbraw/zinc/10/09/50/793100950.db2.gz LNFBIKGERUYWKR-UHFFFAOYSA-N -1 1 349.774 2.116 20 0 EEADMM O=C([N-]C1(CNC(=O)c2cc(F)c(F)c(F)c2)CCC1)C(F)F ZINC001064669824 793515317 /nfs/dbraw/zinc/51/53/17/793515317.db2.gz RZISOSXBCZOSDK-UHFFFAOYSA-N -1 1 336.260 2.138 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ncnc2c1CCC2 ZINC001089272838 793929952 /nfs/dbraw/zinc/92/99/52/793929952.db2.gz RFCMTYKFRHYNLO-NEPJUHHUSA-N -1 1 341.415 2.075 20 0 EEADMM O=C(C=Cc1ccc2ccccc2n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742155 794201560 /nfs/dbraw/zinc/20/15/60/794201560.db2.gz KNJODFWOMNFSSQ-FPLPWBNLSA-N -1 1 334.383 2.167 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536304 795594983 /nfs/dbraw/zinc/59/49/83/795594983.db2.gz XIDXBEXJVNQKOB-KUHUBIRLSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)C1(C)CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080164154 795662246 /nfs/dbraw/zinc/66/22/46/795662246.db2.gz PQYKBVCASSFXIJ-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](CCNc1cccc(F)n1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001106597265 795927659 /nfs/dbraw/zinc/92/76/59/795927659.db2.gz RWKYWQNOJLAGDG-JTQLQIEISA-N -1 1 345.378 2.214 20 0 EEADMM C[C@@H](NC(=O)C(F)F)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001060591708 796712691 /nfs/dbraw/zinc/71/26/91/796712691.db2.gz UOLKARXOEUQHGU-SNVBAGLBSA-N -1 1 349.337 2.160 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000993925699 797136040 /nfs/dbraw/zinc/13/60/40/797136040.db2.gz JDKPXUYRHGKOKM-MGPQQGTHSA-N -1 1 345.443 2.048 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cccc3n[nH]cc32)c1 ZINC001174347816 797745145 /nfs/dbraw/zinc/74/51/45/797745145.db2.gz MOMBIAZLLBZLFV-UHFFFAOYSA-N -1 1 332.341 2.279 20 0 EEADMM O=C(NC1CCN(C/C(Cl)=C/Cl)CC1)c1ncccc1[O-] ZINC001002662963 798403426 /nfs/dbraw/zinc/40/34/26/798403426.db2.gz BUUFLQXXVUASLN-NTMALXAHSA-N -1 1 330.215 2.300 20 0 EEADMM O=C(Cc1nn[n-]n1)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001176845559 798618312 /nfs/dbraw/zinc/61/83/12/798618312.db2.gz VVWCOGZSSPDVPO-UHFFFAOYSA-N -1 1 327.319 2.099 20 0 EEADMM C[C@@]1(CNc2cncc(Cl)n2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065412089 799023778 /nfs/dbraw/zinc/02/37/78/799023778.db2.gz SXILTDHXCGSUIN-INIZCTEOSA-N -1 1 347.806 2.195 20 0 EEADMM CCOc1cc(C(=O)N2CCC[C@@H]2C2OCCO2)cc(Cl)c1[O-] ZINC000888423397 799275743 /nfs/dbraw/zinc/27/57/43/799275743.db2.gz QVSBTBIPCRVKOM-GFCCVEGCSA-N -1 1 341.791 2.422 20 0 EEADMM Cc1nc(CNCCCCCCNC(=O)c2[nH]nc(C)c2[O-])oc1C ZINC001178208925 799339919 /nfs/dbraw/zinc/33/99/19/799339919.db2.gz AKNFPPVZQAVGSP-UHFFFAOYSA-N -1 1 349.435 2.109 20 0 EEADMM Cc1cc(C)cc(OCC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001180538836 800468774 /nfs/dbraw/zinc/46/87/74/800468774.db2.gz DGZHWDDUYYRYNR-UHFFFAOYSA-N -1 1 345.359 2.280 20 0 EEADMM CCc1ccccc1CN1CC[C@H]1CN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001085549854 800746486 /nfs/dbraw/zinc/74/64/86/800746486.db2.gz FMNVZDSAQQBMCS-INIZCTEOSA-N -1 1 342.443 2.333 20 0 EEADMM Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC001033025141 800910438 /nfs/dbraw/zinc/91/04/38/800910438.db2.gz JLWKCMBUUMQBIO-MRXNPFEDSA-N -1 1 325.412 2.442 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2cc3ccccc3n2C)n1 ZINC001182265324 801093884 /nfs/dbraw/zinc/09/38/84/801093884.db2.gz VWDLIADONDKIAD-UHFFFAOYSA-N -1 1 326.356 2.259 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)CCc2cc(C)c(O)c(C)c2)[n-]1 ZINC001182331985 801123137 /nfs/dbraw/zinc/12/31/37/801123137.db2.gz 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Cc1ccnc(C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)c1[O-] ZINC001551064039 1124246611 /nfs/dbraw/zinc/24/66/11/1124246611.db2.gz ZHDHPNDJVZRATG-UHFFFAOYSA-N -1 1 341.367 2.020 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CC(F)(F)C(F)(F)F ZINC001548643895 1124408652 /nfs/dbraw/zinc/40/86/52/1124408652.db2.gz RKPVGKBLKXDMLZ-UHFFFAOYSA-N -1 1 331.266 2.049 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccnc(OC2CCC2)c1 ZINC001548676937 1124429933 /nfs/dbraw/zinc/42/99/33/1124429933.db2.gz OHGQMPKZPVFLPU-UHFFFAOYSA-N -1 1 346.412 2.036 20 0 EEADMM CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548763839 1124487716 /nfs/dbraw/zinc/48/77/16/1124487716.db2.gz LCKWHHPCEVSXRS-CMPLNLGQSA-N -1 1 335.795 2.027 20 0 EEADMM O=C([C@@H](OC1CCCC1)c1ccccc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548768820 1124491600 /nfs/dbraw/zinc/49/16/00/1124491600.db2.gz PXNAOMUBHMDDIN-ZBFHGGJFSA-N -1 1 341.415 2.216 20 0 EEADMM O=C(c1cnncc1[O-])N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001551586433 1124501499 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EEADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000048290579 213913454 /nfs/dbraw/zinc/91/34/54/213913454.db2.gz YFXKIVNLAFILHG-UHFFFAOYSA-N -1 1 343.412 2.334 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)co1 ZINC000179467786 530025637 /nfs/dbraw/zinc/02/56/37/530025637.db2.gz CQOVPDCFPDVWLY-ZBEGNZNMSA-N -1 1 348.424 2.241 20 0 EEADMM CCCN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H](CC)c1ccccc1 ZINC000353679678 283037911 /nfs/dbraw/zinc/03/79/11/283037911.db2.gz QEOBHYXDVALKSV-OAHLLOKOSA-N -1 1 339.399 2.421 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(CCc1ccccc1)CC(C)C ZINC000416141216 239076538 /nfs/dbraw/zinc/07/65/38/239076538.db2.gz ZDBLGRYODUSZQP-UHFFFAOYSA-N -1 1 345.399 2.237 20 0 EEADMM CO[C@@H](CC(C)C)C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000416189316 239109719 /nfs/dbraw/zinc/10/97/19/239109719.db2.gz KKWNIHWLDIAUKM-ZDUSSCGKSA-N -1 1 332.397 2.197 20 0 EEADMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(C)c2C)c1 ZINC000427096259 241373535 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ZINC000832949058 601339111 /nfs/dbraw/zinc/33/91/11/601339111.db2.gz NQAOKVZLQDKAIX-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C(=O)[O-] ZINC000828440067 601521169 /nfs/dbraw/zinc/52/11/69/601521169.db2.gz KCFIWTOCBNOHNL-JOYOIKCWSA-N -1 1 330.306 2.296 20 0 EEADMM COCCn1c(C)cc(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1C ZINC000831800667 601595060 /nfs/dbraw/zinc/59/50/60/601595060.db2.gz QOQTXUUSSHJHHQ-MRXNPFEDSA-N -1 1 348.443 2.121 20 0 EEADMM O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000826413113 607529485 /nfs/dbraw/zinc/52/94/85/607529485.db2.gz RNDGKAIZQBJTGK-UHFFFAOYSA-N -1 1 344.762 2.276 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCN1C[C@@H](C)O ZINC000829140555 602063273 /nfs/dbraw/zinc/06/32/73/602063273.db2.gz FAOMTQVNMFEKSE-OCCSQVGLSA-N -1 1 349.431 2.002 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)c1cccc2cccnc21 ZINC000833347345 602156585 /nfs/dbraw/zinc/15/65/85/602156585.db2.gz ZIZLJEYEYLXVJR-UHFFFAOYSA-N -1 1 335.366 2.190 20 0 EEADMM CN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1nc2ccccc2s1 ZINC000830485426 602228021 /nfs/dbraw/zinc/22/80/21/602228021.db2.gz GERZWFLLBKNWDB-CYBMUJFWSA-N -1 1 335.429 2.348 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000824024806 603197403 /nfs/dbraw/zinc/19/74/03/603197403.db2.gz FMKFMHWKEMKCQO-UHFFFAOYSA-N -1 1 341.165 2.310 20 0 EEADMM CCC1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000825176063 607660720 /nfs/dbraw/zinc/66/07/20/607660720.db2.gz DYTJLCVGRBUWSW-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM CCC1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000825176063 607660722 /nfs/dbraw/zinc/66/07/22/607660722.db2.gz DYTJLCVGRBUWSW-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM CCS[C@H](C)c1noc(CN(CCC(=O)[O-])C2CCOCC2)n1 ZINC000830150736 604349258 /nfs/dbraw/zinc/34/92/58/604349258.db2.gz QJNPYNNFAFPHQO-LLVKDONJSA-N -1 1 343.449 2.339 20 0 EEADMM O=C([O-])C[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000833209550 604478736 /nfs/dbraw/zinc/47/87/36/604478736.db2.gz FINGJWQJNZJXNP-KGLIPLIRSA-N -1 1 335.404 2.065 20 0 EEADMM COC(=O)c1ccccc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833717452 604515763 /nfs/dbraw/zinc/51/57/63/604515763.db2.gz PIZDSOXCSHWYKE-QGZVFWFLSA-N -1 1 325.364 2.485 20 0 EEADMM C[C@@]1(CCCO)CCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833563187 604618691 /nfs/dbraw/zinc/61/86/91/604618691.db2.gz KMKPFLDRGYBIJI-HNNXBMFYSA-N -1 1 326.418 2.012 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000828029288 604675069 /nfs/dbraw/zinc/67/50/69/604675069.db2.gz XVKHRKXIKDLNOH-HNNXBMFYSA-N -1 1 341.289 2.451 20 0 EEADMM CN(c1cccnn1)C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833698117 604755282 /nfs/dbraw/zinc/75/52/82/604755282.db2.gz OTMFYYBDYZPNRV-UHFFFAOYSA-N -1 1 344.390 2.415 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833605993 605045846 /nfs/dbraw/zinc/04/58/46/605045846.db2.gz VKEUYGWYWZMMHE-UMVBOHGHSA-N -1 1 349.431 2.093 20 0 EEADMM CCC(CC)(CNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C)C(=O)[O-] ZINC000322257581 605097010 /nfs/dbraw/zinc/09/70/10/605097010.db2.gz OOIJUZUOWWQLMH-KBPBESRZSA-N -1 1 325.453 2.146 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000833482740 605135697 /nfs/dbraw/zinc/13/56/97/605135697.db2.gz GHRDEMKWFXDQMJ-DZGCQCFKSA-N -1 1 338.404 2.470 20 0 EEADMM COc1cc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000833729147 605188127 /nfs/dbraw/zinc/18/81/27/605188127.db2.gz OJZMCUXPXLTVCI-UHFFFAOYSA-N -1 1 333.268 2.065 20 0 EEADMM CC(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833397027 605371119 /nfs/dbraw/zinc/37/11/19/605371119.db2.gz UMZUXKVSTHZOPM-IAQYHMDHSA-N -1 1 342.798 2.453 20 0 EEADMM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833665778 605418631 /nfs/dbraw/zinc/41/86/31/605418631.db2.gz XSZGNJGDOXFEBU-UHFFFAOYSA-N -1 1 340.357 2.135 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C ZINC000820508712 606127094 /nfs/dbraw/zinc/12/70/94/606127094.db2.gz VXMZQTHLOQWMHU-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C ZINC000820508712 606127095 /nfs/dbraw/zinc/12/70/95/606127095.db2.gz VXMZQTHLOQWMHU-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM CC(=O)Nc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819827021 606135556 /nfs/dbraw/zinc/13/55/56/606135556.db2.gz PEDYVFXLLATTNI-UHFFFAOYSA-N -1 1 343.368 2.244 20 0 EEADMM CC(=O)Nc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819827021 606135557 /nfs/dbraw/zinc/13/55/57/606135557.db2.gz PEDYVFXLLATTNI-UHFFFAOYSA-N -1 1 343.368 2.244 20 0 EEADMM O=C([N-]c1sccc1-c1nn[nH]n1)c1cc(-c2ccccn2)no1 ZINC000823387629 606148629 /nfs/dbraw/zinc/14/86/29/606148629.db2.gz ROYAGTRWOKRNFH-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM Cc1cccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822328260 606495979 /nfs/dbraw/zinc/49/59/79/606495979.db2.gz NSEGHVJOMPFBJZ-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1cccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822328260 606495981 /nfs/dbraw/zinc/49/59/81/606495981.db2.gz NSEGHVJOMPFBJZ-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821777637 606503550 /nfs/dbraw/zinc/50/35/50/606503550.db2.gz KBOWQOIEJRATTB-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821777637 606503551 /nfs/dbraw/zinc/50/35/51/606503551.db2.gz KBOWQOIEJRATTB-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM Cc1cccc(C)c1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822299228 606511690 /nfs/dbraw/zinc/51/16/90/606511690.db2.gz BXPYUKCWGOFUBR-UHFFFAOYSA-N -1 1 343.412 2.354 20 0 EEADMM Cc1cccc(C)c1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822299228 606511692 /nfs/dbraw/zinc/51/16/92/606511692.db2.gz BXPYUKCWGOFUBR-UHFFFAOYSA-N -1 1 343.412 2.354 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000823289746 606532673 /nfs/dbraw/zinc/53/26/73/606532673.db2.gz OKZGZBIRWUEORF-UHFFFAOYSA-N -1 1 339.290 2.241 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-c2ccc(F)cc2)o1 ZINC000823289746 606532675 /nfs/dbraw/zinc/53/26/75/606532675.db2.gz OKZGZBIRWUEORF-UHFFFAOYSA-N -1 1 339.290 2.241 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000822534927 606534288 /nfs/dbraw/zinc/53/42/88/606534288.db2.gz CGKBNORIWYIEBC-GHMZBOCLSA-N -1 1 340.387 2.429 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000822534927 606534290 /nfs/dbraw/zinc/53/42/90/606534290.db2.gz CGKBNORIWYIEBC-GHMZBOCLSA-N -1 1 340.387 2.429 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(F)ccc(F)c2C1 ZINC000823488626 606550722 /nfs/dbraw/zinc/55/07/22/606550722.db2.gz QKNHMNJHWWXQDA-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(F)ccc(F)c2C1 ZINC000823488626 606550723 /nfs/dbraw/zinc/55/07/23/606550723.db2.gz QKNHMNJHWWXQDA-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(NC[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823181899 606558206 /nfs/dbraw/zinc/55/82/06/606558206.db2.gz FNYGUFUZJSMVOV-JTQLQIEISA-N -1 1 341.396 2.224 20 0 EEADMM O=C(NC[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823181899 606558208 /nfs/dbraw/zinc/55/82/08/606558208.db2.gz FNYGUFUZJSMVOV-JTQLQIEISA-N -1 1 341.396 2.224 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccc(F)cc1 ZINC000820268713 606575382 /nfs/dbraw/zinc/57/53/82/606575382.db2.gz DPVCTDWAZDPYPZ-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccc(F)cc1 ZINC000820268713 606575384 /nfs/dbraw/zinc/57/53/84/606575384.db2.gz DPVCTDWAZDPYPZ-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM O=C(Cc1cccc(Cl)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823112314 606647522 /nfs/dbraw/zinc/64/75/22/606647522.db2.gz XDBPZUHMLFBPBB-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1cccc(Cl)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823112314 606647523 /nfs/dbraw/zinc/64/75/23/606647523.db2.gz XDBPZUHMLFBPBB-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM CCCOc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821134274 607109357 /nfs/dbraw/zinc/10/93/57/607109357.db2.gz RNODLGIUDZWJSU-UHFFFAOYSA-N -1 1 330.373 2.364 20 0 EEADMM CCCOc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821134274 607109358 /nfs/dbraw/zinc/10/93/58/607109358.db2.gz RNODLGIUDZWJSU-UHFFFAOYSA-N -1 1 330.373 2.364 20 0 EEADMM FC(F)(F)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000826367911 607820335 /nfs/dbraw/zinc/82/03/35/607820335.db2.gz UALLUSXWAZCZNR-UHFFFAOYSA-N -1 1 340.265 2.408 20 0 EEADMM FC(F)(F)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000826367911 607820336 /nfs/dbraw/zinc/82/03/36/607820336.db2.gz UALLUSXWAZCZNR-UHFFFAOYSA-N -1 1 340.265 2.408 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826291261 607863604 /nfs/dbraw/zinc/86/36/04/607863604.db2.gz XDVTTXQJXNSQCC-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826291261 607863605 /nfs/dbraw/zinc/86/36/05/607863605.db2.gz XDVTTXQJXNSQCC-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826292582 607867668 /nfs/dbraw/zinc/86/76/68/607867668.db2.gz BNEKWGSPLVPWKW-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826292582 607867669 /nfs/dbraw/zinc/86/76/69/607867669.db2.gz BNEKWGSPLVPWKW-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826505208 607875290 /nfs/dbraw/zinc/87/52/90/607875290.db2.gz PNMLUGCVKMJDIN-GFCCVEGCSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826505208 607875291 /nfs/dbraw/zinc/87/52/91/607875291.db2.gz PNMLUGCVKMJDIN-GFCCVEGCSA-N -1 1 336.273 2.396 20 0 EEADMM O=C(CCOc1cccc(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826408179 607997646 /nfs/dbraw/zinc/99/76/46/607997646.db2.gz SVBVVBFMCLHDQB-UHFFFAOYSA-N -1 1 343.318 2.119 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825153805 607998358 /nfs/dbraw/zinc/99/83/58/607998358.db2.gz KENMYMIMFAEFMC-CQSZACIVSA-N -1 1 331.376 2.249 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826467419 608248942 /nfs/dbraw/zinc/24/89/42/608248942.db2.gz VMWZQKKDTVQMOW-MRXNPFEDSA-N -1 1 335.367 2.499 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826467419 608248943 /nfs/dbraw/zinc/24/89/43/608248943.db2.gz VMWZQKKDTVQMOW-MRXNPFEDSA-N -1 1 335.367 2.499 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826467418 608249151 /nfs/dbraw/zinc/24/91/51/608249151.db2.gz VMWZQKKDTVQMOW-INIZCTEOSA-N -1 1 335.367 2.499 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826467418 608249153 /nfs/dbraw/zinc/24/91/53/608249153.db2.gz VMWZQKKDTVQMOW-INIZCTEOSA-N -1 1 335.367 2.499 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)C2CCCCC2)n1 ZINC000826356878 608306931 /nfs/dbraw/zinc/30/69/31/608306931.db2.gz JLQXAZYGCWKKCQ-UHFFFAOYSA-N -1 1 346.439 2.328 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)C2CCCCC2)n1 ZINC000826356878 608306932 /nfs/dbraw/zinc/30/69/32/608306932.db2.gz JLQXAZYGCWKKCQ-UHFFFAOYSA-N -1 1 346.439 2.328 20 0 EEADMM CC(C)(C)c1cc(NC(=O)c2ncccn2)c(-c2nnn[n-]2)s1 ZINC000824135333 608348419 /nfs/dbraw/zinc/34/84/19/608348419.db2.gz DIQNOIPETPAJGP-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1cc(NC(=O)c2ncccn2)c(-c2nn[n-]n2)s1 ZINC000824135333 608348420 /nfs/dbraw/zinc/34/84/20/608348420.db2.gz DIQNOIPETPAJGP-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM COc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC000826181098 608427756 /nfs/dbraw/zinc/42/77/56/608427756.db2.gz KXMHPZNVFOYBLN-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC000826181098 608427757 /nfs/dbraw/zinc/42/77/57/608427757.db2.gz KXMHPZNVFOYBLN-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM Fc1ccccc1C=C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826378650 608432079 /nfs/dbraw/zinc/43/20/79/608432079.db2.gz UPQPTFUXUSFSBU-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1ccccc1C=C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826378650 608432080 /nfs/dbraw/zinc/43/20/80/608432080.db2.gz UPQPTFUXUSFSBU-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824071446 608454747 /nfs/dbraw/zinc/45/47/47/608454747.db2.gz INCILLCOIZHAGM-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824071446 608454749 /nfs/dbraw/zinc/45/47/49/608454749.db2.gz INCILLCOIZHAGM-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000824358243 608663183 /nfs/dbraw/zinc/66/31/83/608663183.db2.gz DLOBOAZCWMCJHD-LLVKDONJSA-N -1 1 329.364 2.303 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000824358243 608663184 /nfs/dbraw/zinc/66/31/84/608663184.db2.gz DLOBOAZCWMCJHD-LLVKDONJSA-N -1 1 329.364 2.303 20 0 EEADMM C/C=C(/C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825029344 609292361 /nfs/dbraw/zinc/29/23/61/609292361.db2.gz QINAAEJPAYGQPW-OQFOIZHKSA-N -1 1 327.323 2.096 20 0 EEADMM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215593 609593029 /nfs/dbraw/zinc/59/30/29/609593029.db2.gz UGOCRMCFVNYUIH-ABAIWWIYSA-N -1 1 337.387 2.253 20 0 EEADMM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215593 609593030 /nfs/dbraw/zinc/59/30/30/609593030.db2.gz UGOCRMCFVNYUIH-ABAIWWIYSA-N -1 1 337.387 2.253 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H](C)c3ccccc3F)C2)c1[O-] ZINC000969500864 675075577 /nfs/dbraw/zinc/07/55/77/675075577.db2.gz YHXNAKNEXIMHAS-PWSUYJOCSA-N -1 1 346.406 2.374 20 0 EEADMM CSCC(C)(C)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000890876685 675692894 /nfs/dbraw/zinc/69/28/94/675692894.db2.gz KXURKFAYAXCSQC-UHFFFAOYSA-N -1 1 348.490 2.228 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCCN1c1nccs1 ZINC000891618245 676726142 /nfs/dbraw/zinc/72/61/42/676726142.db2.gz NRPLLKWRHOXKOO-LBPRGKRZSA-N -1 1 345.428 2.125 20 0 EEADMM COc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1OC ZINC000891631120 676737821 /nfs/dbraw/zinc/73/78/21/676737821.db2.gz MHACTTPOUBDFHN-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM O=S(=O)([N-][C@@H](CCCO)c1ccccc1)c1ccc(F)nc1F ZINC000866860179 677920080 /nfs/dbraw/zinc/92/00/80/677920080.db2.gz WARYQXIFHXOOKR-LBPRGKRZSA-N -1 1 342.367 2.152 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(C)c(C)s2)cc1 ZINC000051416764 678203781 /nfs/dbraw/zinc/20/37/81/678203781.db2.gz VEQGBIJWXUPZDO-UHFFFAOYSA-N -1 1 347.392 2.487 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@@H]1CCOC1 ZINC000866874151 678456689 /nfs/dbraw/zinc/45/66/89/678456689.db2.gz FQGOTXIHKBKMPN-JGVFFNPUSA-N -1 1 325.217 2.092 20 0 EEADMM Cc1cnc([C@@H](C)N2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)o1 ZINC001023327800 679255494 /nfs/dbraw/zinc/25/54/94/679255494.db2.gz ILRDIUKGRDJONL-ZIAGYGMSSA-N -1 1 344.415 2.287 20 0 EEADMM COCc1nc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc(=O)[n-]1 ZINC000892418617 679768426 /nfs/dbraw/zinc/76/84/26/679768426.db2.gz RNIZNYNNQFZUKU-GOSISDBHSA-N -1 1 347.390 2.418 20 0 EEADMM CCC[C@@H](NCC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC000262321937 685348195 /nfs/dbraw/zinc/34/81/95/685348195.db2.gz VYOJHNYTGANOIO-MRXNPFEDSA-N -1 1 332.444 2.458 20 0 EEADMM CC(C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000937103732 681409334 /nfs/dbraw/zinc/40/93/34/681409334.db2.gz BSDLUXQVFLWJTK-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1sccc1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982727187 682112518 /nfs/dbraw/zinc/11/25/18/682112518.db2.gz GKGNMDDUAGHHLX-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025171915 682150527 /nfs/dbraw/zinc/15/05/27/682150527.db2.gz VFOYFBCHDGBVCF-ZIAGYGMSSA-N -1 1 349.479 2.197 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000973198822 682295856 /nfs/dbraw/zinc/29/58/56/682295856.db2.gz JIBAPGBZPRTRGI-KTSLABGISA-N -1 1 345.443 2.381 20 0 EEADMM CSc1cc(C)ccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909414521 683245863 /nfs/dbraw/zinc/24/58/63/683245863.db2.gz YDQJWHBLGBEINS-AWEZNQCLSA-N -1 1 336.457 2.130 20 0 EEADMM CN(C(=O)C1(C)CC=CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984112192 684114185 /nfs/dbraw/zinc/11/41/85/684114185.db2.gz GUHKZZCMRZGZJC-AWEZNQCLSA-N -1 1 343.427 2.207 20 0 EEADMM CC(C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000984175842 684200343 /nfs/dbraw/zinc/20/03/43/684200343.db2.gz UUTADNQJSWDYJL-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057365 684270732 /nfs/dbraw/zinc/27/07/32/684270732.db2.gz PPTQMDUSAYTMEP-APIJFGDWSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@H](C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984336953 684435573 /nfs/dbraw/zinc/43/55/73/684435573.db2.gz OQAIRSYDGKJVQJ-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C[C@H]2CCC(F)(F)C2)C1 ZINC000949952365 684647212 /nfs/dbraw/zinc/64/72/12/684647212.db2.gz NPGUXLKDRHZHTH-LBPRGKRZSA-N -1 1 339.386 2.369 20 0 EEADMM CCC(=O)N1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895808767 684727517 /nfs/dbraw/zinc/72/75/17/684727517.db2.gz BKDNFNQMCQUZFY-UHFFFAOYSA-N -1 1 342.395 2.336 20 0 EEADMM O=C1[C@H]2CCCC[C@@H]2C(=O)N1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000896221817 684900815 /nfs/dbraw/zinc/90/08/15/684900815.db2.gz VWIAMRKFLSHYDP-QWRGUYRKSA-N -1 1 345.330 2.257 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC=CCC1 ZINC001059515158 686278268 /nfs/dbraw/zinc/27/82/68/686278268.db2.gz SKKPTWIHIQADMS-LSDHHAIUSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866930124 686969664 /nfs/dbraw/zinc/96/96/64/686969664.db2.gz LLGHFDDWKSEQJZ-RNCFNFMXSA-N -1 1 334.438 2.011 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000985499753 687058594 /nfs/dbraw/zinc/05/85/94/687058594.db2.gz MEXUSDMMLBVRKA-CQSZACIVSA-N -1 1 347.463 2.070 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000909645193 687351297 /nfs/dbraw/zinc/35/12/97/687351297.db2.gz YZTDYBZWFWUKST-KCXAZCMYSA-N -1 1 341.411 2.230 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1(C2CC2)CC1)c1ncccc1[O-] ZINC000976572297 687851766 /nfs/dbraw/zinc/85/17/66/687851766.db2.gz UQWNZYBDICOYCU-ZIAGYGMSSA-N -1 1 343.427 2.135 20 0 EEADMM CCC(CC)(CC)C(=O)N1CC[C@@H](CN(C)Cc2n[nH]c(=O)[n-]2)C1 ZINC001029877849 687997397 /nfs/dbraw/zinc/99/73/97/687997397.db2.gz XNWTYBOKNYFMEA-ZDUSSCGKSA-N -1 1 337.468 2.007 20 0 EEADMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000042786663 694252628 /nfs/dbraw/zinc/25/26/28/694252628.db2.gz ZSAMWJBHQTYILD-UHFFFAOYSA-N -1 1 346.364 2.161 20 0 EEADMM C/C=C(\C)C(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000986847170 689004158 /nfs/dbraw/zinc/00/41/58/689004158.db2.gz QJPIFUPEKCXUJB-VFJIKVCNSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@@H](C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000986975099 689161628 /nfs/dbraw/zinc/16/16/28/689161628.db2.gz GWIRAOABXNHCKK-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)C2=CCCC2)C1)c1ncccc1[O-] ZINC000986988440 689185647 /nfs/dbraw/zinc/18/56/47/689185647.db2.gz VZNSHJDMKBJSAM-OAHLLOKOSA-N -1 1 343.427 2.399 20 0 EEADMM CCCOc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC ZINC000904049143 694283268 /nfs/dbraw/zinc/28/32/68/694283268.db2.gz WRPHJGBPPHCPLE-KRWDZBQOSA-N -1 1 347.415 2.441 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1)C(=O)c1ncccc1[O-] ZINC000987959344 690187199 /nfs/dbraw/zinc/18/71/99/690187199.db2.gz WNXHPLYLHNVEEY-ZDUSSCGKSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](CN(C)C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000988086573 690296414 /nfs/dbraw/zinc/29/64/14/690296414.db2.gz KJLROLBLBGGSAL-ZIAGYGMSSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H]1C[C@H]1CC(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000988632444 690891941 /nfs/dbraw/zinc/89/19/41/690891941.db2.gz MWRURLBAVCLRML-HIFRSBDPSA-N -1 1 345.443 2.144 20 0 EEADMM CC(Nc1ccnn1C(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054502491 690921663 /nfs/dbraw/zinc/92/16/63/690921663.db2.gz TZCKMGKABMRAFL-QBFSEMIESA-N -1 1 349.460 2.049 20 0 EEADMM C[C@@H]1C[C@H](NCc2ncc(C3CC3)o2)CN1C(=O)c1ncccc1[O-] ZINC000988682964 691002140 /nfs/dbraw/zinc/00/21/40/691002140.db2.gz FLWQYFBGRXJRFL-YPMHNXCESA-N -1 1 342.399 2.045 20 0 EEADMM CCCN1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1=O ZINC000897529446 691063522 /nfs/dbraw/zinc/06/35/22/691063522.db2.gz LIULRIKZBBVQTP-UHFFFAOYSA-N -1 1 342.395 2.336 20 0 EEADMM O=S(=O)([N-]CCCF)c1cc(Br)cnc1Cl ZINC000178439225 692207377 /nfs/dbraw/zinc/20/73/77/692207377.db2.gz MQWMPTCGCVWPJL-UHFFFAOYSA-N -1 1 331.594 2.135 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C1CCCCC1)C(=O)c1ncccc1[O-] ZINC000977597229 692794867 /nfs/dbraw/zinc/79/48/67/692794867.db2.gz FYIZUOSGDZAVAV-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C1(F)CCCCC1)C(=O)c1ncccc1[O-] ZINC000977600394 692834764 /nfs/dbraw/zinc/83/47/64/692834764.db2.gz NGKAYQFGZFRPRE-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CC1(C)C ZINC000990522014 692999136 /nfs/dbraw/zinc/99/91/36/692999136.db2.gz PEIYPTZSVNBKQF-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ncoc1CNC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000923808119 693272625 /nfs/dbraw/zinc/27/26/25/693272625.db2.gz OXJSUZLBVARNSK-UHFFFAOYSA-N -1 1 343.383 2.493 20 0 EEADMM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC000990731227 693474119 /nfs/dbraw/zinc/47/41/19/693474119.db2.gz FKVCSUVSLBCDJC-HZSPNIEDSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1cccc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000978544189 693695606 /nfs/dbraw/zinc/69/56/06/693695606.db2.gz GJYRHYDBBJEHJX-OTVXOJSOSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1ccc([C@@H](NCCS(=O)(=O)c2ccccc2)C(=O)[O-])cc1C ZINC000905379987 694629856 /nfs/dbraw/zinc/62/98/56/694629856.db2.gz YKBBETNUJUEKMJ-QGZVFWFLSA-N -1 1 347.436 2.493 20 0 EEADMM CC1(C(=O)N[C@H]2CCCCN(C(=O)c3ncccc3[O-])C2)CC=CC1 ZINC000943508326 1192319095 /nfs/dbraw/zinc/31/90/95/1192319095.db2.gz UKLXANRXRFPRTE-AWEZNQCLSA-N -1 1 343.427 2.254 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943516882 1192326987 /nfs/dbraw/zinc/32/69/87/1192326987.db2.gz KACNBJXKNYUWKT-QLFBSQMISA-N -1 1 345.443 2.334 20 0 EEADMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)c1 ZINC000080781810 1177153689 /nfs/dbraw/zinc/15/36/89/1177153689.db2.gz IUNPRYUGLBLXRB-UHFFFAOYSA-N -1 1 331.378 2.262 20 0 EEADMM CCn1c(CNC(=O)c2ccc(OCC3CC3)nc2)n[n-]c1=S ZINC000066637136 1177199072 /nfs/dbraw/zinc/19/90/72/1177199072.db2.gz CXGGIURGBZFIGR-UHFFFAOYSA-N -1 1 333.417 2.074 20 0 EEADMM CC(C)(C)C(=O)N1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000944420451 1193067224 /nfs/dbraw/zinc/06/72/24/1193067224.db2.gz OGPNNYYRBVVAAN-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])C[NH2+]Cc1csc(C2CC2)n1 ZINC001482098230 1183333004 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2.040 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2occc2Cl)CN1C(=O)c1ncccc1[O-] ZINC001012514065 1225399392 /nfs/dbraw/zinc/39/93/92/1225399392.db2.gz WYNFDQVCVDSKOI-ZJUUUORDSA-N -1 1 349.774 2.067 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cncc(F)c1 ZINC000795473266 1213041466 /nfs/dbraw/zinc/04/14/66/1213041466.db2.gz OEUSJNJQDAISHM-UHFFFAOYSA-N -1 1 338.360 2.339 20 0 EEADMM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C)co1 ZINC000955643666 1213231972 /nfs/dbraw/zinc/23/19/72/1213231972.db2.gz NMQSSOKXWVFZHM-RISCZKNCSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C2(C)CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955645294 1213232773 /nfs/dbraw/zinc/23/27/73/1213232773.db2.gz SKZDRAMPTHGCFM-QWHCGFSZSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C2CC3(CC3)C2)CCN1C(=O)c1ncccc1[O-] ZINC000955650916 1213236983 /nfs/dbraw/zinc/23/69/83/1213236983.db2.gz NKUYMEOOMWJKFU-JSGCOSHPSA-N -1 1 343.427 2.087 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)[n-]1 ZINC000796349633 1213866850 /nfs/dbraw/zinc/86/68/50/1213866850.db2.gz GYNVFIAGVNKPSX-SECBINFHSA-N -1 1 341.323 2.106 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)[n-]1 ZINC000796363869 1213882371 /nfs/dbraw/zinc/88/23/71/1213882371.db2.gz XJKBUEGUJSVRAW-UHFFFAOYSA-N -1 1 326.308 2.412 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)N(C(C)C)C2CCCC2)[n-]1 ZINC000796368671 1213900059 /nfs/dbraw/zinc/90/00/59/1213900059.db2.gz HTZADVAOCQRKSF-UHFFFAOYSA-N -1 1 336.388 2.138 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001412844939 1214456900 /nfs/dbraw/zinc/45/69/00/1214456900.db2.gz FYRVLLZLDMGKQE-UHFFFAOYSA-N -1 1 335.385 2.084 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000956851307 1214527929 /nfs/dbraw/zinc/52/79/29/1214527929.db2.gz FTULYEVSSSQBEO-KUHUBIRLSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CN(C(=O)CC2CCCC2)C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000959349991 1214530621 /nfs/dbraw/zinc/53/06/21/1214530621.db2.gz RTQROURBLOHTJP-ZFWWWQNUSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248386719 1214756471 /nfs/dbraw/zinc/75/64/71/1214756471.db2.gz NPJNJEZVBVYMNT-HZUKXOBISA-N -1 1 342.443 2.219 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000957614372 1215257930 /nfs/dbraw/zinc/25/79/30/1215257930.db2.gz DYXRJTATWMSUQX-AWEZNQCLSA-N -1 1 349.479 2.007 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC(CN(CC)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000957751435 1215403941 /nfs/dbraw/zinc/40/39/41/1215403941.db2.gz UBBDPAWBTVVXQE-HUUCEWRRSA-N -1 1 349.479 2.007 20 0 EEADMM O=C(C1=CCCC1)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000962878503 1217266476 /nfs/dbraw/zinc/26/64/76/1217266476.db2.gz HMVDCAOAPMBXBK-CABCVRRESA-N -1 1 341.411 2.103 20 0 EEADMM Cc1occc1C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000964420171 1218347815 /nfs/dbraw/zinc/34/78/15/1218347815.db2.gz OXKBCHTUFYEYDI-CYBMUJFWSA-N -1 1 343.383 2.113 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCCC2)CC1)c1ncccc1[O-] ZINC000964848845 1218672301 /nfs/dbraw/zinc/67/23/01/1218672301.db2.gz LVRVBIRWEGCOTK-CYBMUJFWSA-N -1 1 349.406 2.180 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC000964851192 1218673855 /nfs/dbraw/zinc/67/38/55/1218673855.db2.gz VUEPNEYGZPDRRR-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)C=CCC1 ZINC000965099295 1218893208 /nfs/dbraw/zinc/89/32/08/1218893208.db2.gz UADSHQUSKZNYCC-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(CN2CC[C@@H](C)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC000965915930 1219354178 /nfs/dbraw/zinc/35/41/78/1219354178.db2.gz FNERBECMAKIEKX-QMTHXVAHSA-N -1 1 348.472 2.434 20 0 EEADMM CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000967130982 1220299188 /nfs/dbraw/zinc/29/91/88/1220299188.db2.gz BLCOWDJYNACQCT-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001008069236 1222602591 /nfs/dbraw/zinc/60/25/91/1222602591.db2.gz KQYNFBIRHZDADC-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)=C1CCC1 ZINC001008130144 1222638933 /nfs/dbraw/zinc/63/89/33/1222638933.db2.gz DVKWQHFAJNFKJO-HNNXBMFYSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])CN1C(=O)c1cccs1 ZINC001009979411 1223481399 /nfs/dbraw/zinc/48/13/99/1223481399.db2.gz XIHOUYSURNYAFP-RYUDHWBXSA-N -1 1 345.424 2.129 20 0 EEADMM CN(C(=O)CC1=CCCCC1)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016326036 1226345918 /nfs/dbraw/zinc/34/59/18/1226345918.db2.gz HSGATIIHDCFHOO-UHFFFAOYSA-N -1 1 343.427 2.397 20 0 EEADMM CC[C@H](C)C(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014252611 1226415256 /nfs/dbraw/zinc/41/52/56/1226415256.db2.gz IAJPIMAQTFYTQC-WPKBUWHJSA-N -1 1 331.416 2.087 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014257587 1226420846 /nfs/dbraw/zinc/42/08/46/1226420846.db2.gz LFPHXCNXXPODDH-SCLBCKFNSA-N -1 1 347.390 2.304 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001016428208 1226468531 /nfs/dbraw/zinc/46/85/31/1226468531.db2.gz UQJUIWPTFJMXCI-RUXDESIVSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@H]1[C@@H](NC(=O)C[C@@H]2CC=CCC2)CCN1C(=O)c1ncccc1[O-] ZINC001020206178 1229552581 /nfs/dbraw/zinc/55/25/81/1229552581.db2.gz QGVGDCBJBFEQRO-ZNMIVQPWSA-N -1 1 343.427 2.253 20 0 EEADMM CN(CCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1ncccc1[O-] ZINC001067254934 1229779526 /nfs/dbraw/zinc/77/95/26/1229779526.db2.gz VTMAIKDXFBBGHN-ZNMIVQPWSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(Cc2coc(C3CC3)n2)C1 ZINC001046259935 1234604037 /nfs/dbraw/zinc/60/40/37/1234604037.db2.gz SMVGRUXMACFMCF-SFHVURJKSA-N -1 1 342.399 2.047 20 0 EEADMM CCc1nnc([C@H](C)OC(=O)c2nn(-c3ccccc3)cc2[O-])o1 ZINC000801202855 1235213271 /nfs/dbraw/zinc/21/32/71/1235213271.db2.gz MPXSIKOXLPGTBD-JTQLQIEISA-N -1 1 328.328 2.441 20 0 EEADMM Cc1cccc(-n2cc([O-])c(C(=O)OCC(=O)NCC(C)C)n2)c1C ZINC000801417190 1235547762 /nfs/dbraw/zinc/54/77/62/1235547762.db2.gz DXJJLMXYVPCOEL-UHFFFAOYSA-N -1 1 345.399 2.124 20 0 EEADMM COc1ccc(C[C@H](C)CN2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000901509668 1235903049 /nfs/dbraw/zinc/90/30/49/1235903049.db2.gz ZADXVBQWGSVBGT-GXTWGEPZSA-N -1 1 325.380 2.188 20 0 EEADMM COCc1c2ccccc2oc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801703263 1236055787 /nfs/dbraw/zinc/05/57/87/1236055787.db2.gz GEQRPYXGAAGOJX-UHFFFAOYSA-N -1 1 336.351 2.487 20 0 EEADMM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)CC(C)(C)c1ccccc1 ZINC000901628181 1236072109 /nfs/dbraw/zinc/07/21/09/1236072109.db2.gz WNVYDAGXLINIDL-HNNXBMFYSA-N -1 1 332.444 2.219 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001413434792 1237294852 /nfs/dbraw/zinc/29/48/52/1237294852.db2.gz IBKHTBMBQRNYLR-ZDUSSCGKSA-N -1 1 347.440 2.423 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001413442824 1237418568 /nfs/dbraw/zinc/41/85/68/1237418568.db2.gz SUQAWSNVLNZKNX-HNNXBMFYSA-N -1 1 341.411 2.362 20 0 EEADMM CN(CCOCC1CC1)Cc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000902354673 1237445571 /nfs/dbraw/zinc/44/55/71/1237445571.db2.gz GWONIUTUUFHGAR-UHFFFAOYSA-N -1 1 329.400 2.429 20 0 EEADMM CN(C)c1cccc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)n1 ZINC000903107952 1239752541 /nfs/dbraw/zinc/75/25/41/1239752541.db2.gz IZJBDOKXHGUNOY-LLVKDONJSA-N -1 1 338.260 2.473 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OC[C@H]1CCC(C)(C)O1 ZINC000803322656 1240111979 /nfs/dbraw/zinc/11/19/79/1240111979.db2.gz MVSGQGBOFSFIJD-CYBMUJFWSA-N -1 1 347.415 2.485 20 0 EEADMM COCCN(CCC(=O)[O-])[C@H](C)C(=O)Nc1ccccc1Cl ZINC000903712406 1241678770 /nfs/dbraw/zinc/67/87/70/1241678770.db2.gz WJUMRADDAMGYDV-LLVKDONJSA-N -1 1 328.796 2.090 20 0 EEADMM CCC[C@H](C)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001055228445 1249969812 /nfs/dbraw/zinc/96/98/12/1249969812.db2.gz BIUVONMCANTWPJ-SOUVJXGZSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H](Nc2nccnc2F)C1 ZINC001049893837 1242572606 /nfs/dbraw/zinc/57/26/06/1242572606.db2.gz LJCGMHLSYMXHQL-GFCCVEGCSA-N -1 1 345.378 2.213 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccsc2)c1[O-] ZINC001096961051 1243491623 /nfs/dbraw/zinc/49/16/23/1243491623.db2.gz UODGKBGVMGRJSO-UPJWGTAASA-N -1 1 332.429 2.021 20 0 EEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(F)c1)c1ncccc1[O-] ZINC001096991400 1243550814 /nfs/dbraw/zinc/55/08/14/1243550814.db2.gz SKMXRAXZUZNIPH-OAGGEKHMSA-N -1 1 341.386 2.462 20 0 EEADMM O=C(c1cc2cc(Cl)ccc2s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826833428 1248087290 /nfs/dbraw/zinc/08/72/90/1248087290.db2.gz CVHUAHWMMJKYIA-JTQLQIEISA-N -1 1 349.803 2.282 20 0 EEADMM Cc1cc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001058007075 1248253280 /nfs/dbraw/zinc/25/32/80/1248253280.db2.gz PFKHJKCRFCZFOR-UONOGXRCSA-N -1 1 341.415 2.381 20 0 EEADMM CCc1cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)nc(C)n1 ZINC001068823487 1251744606 /nfs/dbraw/zinc/74/46/06/1251744606.db2.gz VKAHLNLWLWOIOL-BXUZGUMPSA-N -1 1 341.415 2.163 20 0 EEADMM CC[C@H](F)C(=O)NC1(CC)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322609 1252743590 /nfs/dbraw/zinc/74/35/90/1252743590.db2.gz JKNHOJAAPWKCMM-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001072582535 1255250586 /nfs/dbraw/zinc/25/05/86/1255250586.db2.gz PNEFMFFWIIPWNZ-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(CCc1ccsc1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345462031 1278552340 /nfs/dbraw/zinc/55/23/40/1278552340.db2.gz NZAQSOKQGCMIPD-UHFFFAOYSA-N -1 1 329.385 2.412 20 0 EEADMM CNC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185828946 1278794101 /nfs/dbraw/zinc/79/41/01/1278794101.db2.gz MOGVUCSLHSTJJN-UHFFFAOYSA-N -1 1 336.388 2.223 20 0 EEADMM Cn1ncc2ccc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)cc21 ZINC001185943679 1278858088 /nfs/dbraw/zinc/85/80/88/1278858088.db2.gz NHBRWZJZMJGAAS-UHFFFAOYSA-N -1 1 327.369 2.250 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1ncn2C ZINC001185918228 1278868811 /nfs/dbraw/zinc/86/88/11/1278868811.db2.gz MRQMZYHUPGVUGX-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186241048 1279002834 /nfs/dbraw/zinc/00/28/34/1279002834.db2.gz RBNPNXZWTZTWIB-QMMMGPOBSA-N -1 1 348.702 2.248 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001186318604 1279037091 /nfs/dbraw/zinc/03/70/91/1279037091.db2.gz MJMPEPPYKPNKNR-MRXNPFEDSA-N -1 1 326.327 2.184 20 0 EEADMM CC(C)[C@H]1CN(C(=O)NCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000704728363 1277560799 /nfs/dbraw/zinc/56/07/99/1277560799.db2.gz UCHXVCBDEVFVBD-MRXNPFEDSA-N -1 1 333.432 2.013 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001186327976 1279041747 /nfs/dbraw/zinc/04/17/47/1279041747.db2.gz ZKIXHBWLGDNUNR-UHFFFAOYSA-N -1 1 340.358 2.370 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001186317989 1279059869 /nfs/dbraw/zinc/05/98/69/1279059869.db2.gz AWYMHHCDTNARTK-KGLIPLIRSA-N -1 1 326.327 2.339 20 0 EEADMM O=C(NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc([O-])cc1F ZINC001186339611 1279078239 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0 EEADMM O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609566924 1352018095 /nfs/dbraw/zinc/01/80/95/1352018095.db2.gz KXDAJELTGPRAJE-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCC[C@H](C(F)(F)F)C1 ZINC001609607406 1352035362 /nfs/dbraw/zinc/03/53/62/1352035362.db2.gz AGFRPDTWSJOIJU-TVQRCGJNSA-N -1 1 342.325 2.157 20 0 EEADMM O[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCC[C@H](C(F)(F)F)C1 ZINC001609607406 1352035363 /nfs/dbraw/zinc/03/53/63/1352035363.db2.gz AGFRPDTWSJOIJU-TVQRCGJNSA-N -1 1 342.325 2.157 20 0 EEADMM OCc1ccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cc1F ZINC001609611081 1352036694 /nfs/dbraw/zinc/03/66/94/1352036694.db2.gz IGEQRPXMQKUAJB-UHFFFAOYSA-N -1 1 340.771 2.220 20 0 EEADMM OCc1ccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cc1F ZINC001609611081 1352036699 /nfs/dbraw/zinc/03/66/99/1352036699.db2.gz IGEQRPXMQKUAJB-UHFFFAOYSA-N -1 1 340.771 2.220 20 0 EEADMM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC001335528873 1336390492 /nfs/dbraw/zinc/39/04/92/1336390492.db2.gz JSCMLOWCAQHNBO-RKDXNWHRSA-N -1 1 325.217 2.234 20 0 EEADMM CC1(c2ccc(Cl)cc2)CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001609827313 1352095070 /nfs/dbraw/zinc/09/50/70/1352095070.db2.gz ZYUWNKZBEDAVIM-UHFFFAOYSA-N -1 1 338.835 2.284 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC001609868827 1352107599 /nfs/dbraw/zinc/10/75/99/1352107599.db2.gz BRMYVPGXWWLZEB-ZDUSSCGKSA-N -1 1 347.390 2.462 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc2c1CCCC2 ZINC001609869473 1352107738 /nfs/dbraw/zinc/10/77/38/1352107738.db2.gz FCWJUTLUXBAGSV-AWEZNQCLSA-N -1 1 330.428 2.186 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCO[C@@H]1CCCCO1 ZINC001609874694 1352109097 /nfs/dbraw/zinc/10/90/97/1352109097.db2.gz JPMKZQJUBYGORZ-CRAIPNDOSA-N -1 1 348.443 2.439 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001609908418 1352117502 /nfs/dbraw/zinc/11/75/02/1352117502.db2.gz QRBQPMHWZVOZPX-WDEREUQCSA-N -1 1 340.449 2.028 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCSC2(CCC2)CC1 ZINC001347173315 1337498459 /nfs/dbraw/zinc/49/84/59/1337498459.db2.gz NWKABXFUHNCOSR-UHFFFAOYSA-N -1 1 325.459 2.281 20 0 EEADMM CCn1cc(CCN2CCN(c3ccc(C(=O)[O-])s3)CC2)cn1 ZINC001610082201 1352157991 /nfs/dbraw/zinc/15/79/91/1352157991.db2.gz BDVLQPRXEMSUQU-UHFFFAOYSA-N -1 1 334.445 2.027 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001610125579 1352167543 /nfs/dbraw/zinc/16/75/43/1352167543.db2.gz QOLBVEKUWBGWQA-CVEARBPZSA-N -1 1 330.428 2.220 20 0 EEADMM COC(=O)[C@@H]1CSCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001610179254 1352179671 /nfs/dbraw/zinc/17/96/71/1352179671.db2.gz OIZVBTGENTVJGA-QWRGUYRKSA-N -1 1 327.402 2.185 20 0 EEADMM COc1ccccc1-c1nnc(CN2CCC[C@](C)(C(=O)[O-])C2)o1 ZINC001610363046 1352210759 /nfs/dbraw/zinc/21/07/59/1352210759.db2.gz SJHSOBXMEQYKBE-KRWDZBQOSA-N -1 1 331.372 2.432 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN(C)C[C@H]2COc3ccccc3O2)n1C ZINC001610406791 1352218003 /nfs/dbraw/zinc/21/80/03/1352218003.db2.gz CNVYRDQNNTWQDT-AWEZNQCLSA-N -1 1 330.384 2.304 20 0 EEADMM Cc1c(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cccc1C(=O)[O-] ZINC001610425498 1352220664 /nfs/dbraw/zinc/22/06/64/1352220664.db2.gz WQAJODTZCUSYHT-CQSZACIVSA-N -1 1 349.431 2.172 20 0 EEADMM Cc1c(O)ccc2c(CN3CCSC[C@@H]3CC(=O)[O-])cc(=O)oc12 ZINC001610427084 1352220851 /nfs/dbraw/zinc/22/08/51/1352220851.db2.gz KWUCZOAXWHAAIU-LBPRGKRZSA-N -1 1 349.408 2.199 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)[O-] ZINC001610547436 1352242849 /nfs/dbraw/zinc/24/28/49/1352242849.db2.gz BKYMZGMLNOXGKK-UHFFFAOYSA-N -1 1 345.355 2.335 20 0 EEADMM Cn1nccc1[C@H](NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC001610616075 1352254705 /nfs/dbraw/zinc/25/47/05/1352254705.db2.gz RRHTTXDSSHIBGC-LBPRGKRZSA-N -1 1 342.168 2.237 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001610726687 1352265290 /nfs/dbraw/zinc/26/52/90/1352265290.db2.gz WKEAVZSIZQAYEN-WCQYABFASA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001610726687 1352265292 /nfs/dbraw/zinc/26/52/92/1352265292.db2.gz WKEAVZSIZQAYEN-WCQYABFASA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])c1cccc(OCC[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC001610849057 1352285238 /nfs/dbraw/zinc/28/52/38/1352285238.db2.gz FDCFZCHTYLCTCK-KCXAZCMYSA-N -1 1 333.384 2.481 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(Cc3ccccc3OCC3CC3)C2)nn1 ZINC001610859864 1352286746 /nfs/dbraw/zinc/28/67/46/1352286746.db2.gz XNOQCISXMCBGQE-OAHLLOKOSA-N -1 1 342.399 2.212 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001610881455 1352290154 /nfs/dbraw/zinc/29/01/54/1352290154.db2.gz JIRAMZDIAODAJS-LJQANCHMSA-N -1 1 335.363 2.431 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001430146270 1340139651 /nfs/dbraw/zinc/13/96/51/1340139651.db2.gz MRDRIWZGPPUVCU-QEJZJMRPSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)C1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001433227497 1341544036 /nfs/dbraw/zinc/54/40/36/1341544036.db2.gz XCIJOVQZJNSYEX-KBPBESRZSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@H]1c1ncon1 ZINC001433841166 1341704653 /nfs/dbraw/zinc/70/46/53/1341704653.db2.gz CNMVDVQJOHJEGU-LBPRGKRZSA-N -1 1 329.360 2.200 20 0 EEADMM CCCC(=O)NC[C@@H](CC)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577213905 1344107541 /nfs/dbraw/zinc/10/75/41/1344107541.db2.gz RQUBJMBGHFZTRF-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578854262 1344308871 /nfs/dbraw/zinc/30/88/71/1344308871.db2.gz LLLOKYJKEIDAGM-KGLIPLIRSA-N -1 1 338.346 2.167 20 0 EEADMM CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578854262 1344308877 /nfs/dbraw/zinc/30/88/77/1344308877.db2.gz LLLOKYJKEIDAGM-KGLIPLIRSA-N -1 1 338.346 2.167 20 0 EEADMM COC(=O)c1c(C)csc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579478935 1344387317 /nfs/dbraw/zinc/38/73/17/1344387317.db2.gz OATIHIOAYBVLRD-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cn1 ZINC001580441173 1344520606 /nfs/dbraw/zinc/52/06/06/1344520606.db2.gz FIAPZCXTQJJDDL-VIFPVBQESA-N -1 1 344.762 2.157 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cn1 ZINC001580441173 1344520609 /nfs/dbraw/zinc/52/06/09/1344520609.db2.gz FIAPZCXTQJJDDL-VIFPVBQESA-N -1 1 344.762 2.157 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cnc3ccccc3c2C)nn1C ZINC001580547815 1344534136 /nfs/dbraw/zinc/53/41/36/1344534136.db2.gz CJOXZJYIOPLFKU-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cnc3ccccc3c2C)nn1C ZINC001580547815 1344534141 /nfs/dbraw/zinc/53/41/41/1344534141.db2.gz CJOXZJYIOPLFKU-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1cc(F)cc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001580937340 1344574277 /nfs/dbraw/zinc/57/42/77/1344574277.db2.gz SGIZFVPHILJDTB-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)cc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001580937340 1344574281 /nfs/dbraw/zinc/57/42/81/1344574281.db2.gz SGIZFVPHILJDTB-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1csc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n1 ZINC001581385875 1344622592 /nfs/dbraw/zinc/62/25/92/1344622592.db2.gz LURKFERMOCFCBJ-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM Cc1nsc(NC[C@H](C)N(C)C(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581707209 1344656484 /nfs/dbraw/zinc/65/64/84/1344656484.db2.gz JHAICAPYENMJSL-VIFPVBQESA-N -1 1 349.464 2.081 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)o1 ZINC001582584005 1344766270 /nfs/dbraw/zinc/76/62/70/1344766270.db2.gz VZRGJCYYSWCQGE-GXSJLCMTSA-N -1 1 331.282 2.024 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001582584005 1344766275 /nfs/dbraw/zinc/76/62/75/1344766275.db2.gz VZRGJCYYSWCQGE-GXSJLCMTSA-N -1 1 331.282 2.024 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccsc1 ZINC001582629210 1344770523 /nfs/dbraw/zinc/77/05/23/1344770523.db2.gz DFJQNBJPLQHILY-VHSXEESVSA-N -1 1 341.400 2.271 20 0 EEADMM O=C(NCc1nn[n-]n1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC001584967878 1348773357 /nfs/dbraw/zinc/77/33/57/1348773357.db2.gz MONFBEZSCJMBQK-UHFFFAOYSA-N -1 1 327.291 2.363 20 0 EEADMM CC(=Cc1ccncc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588772009 1348934184 /nfs/dbraw/zinc/93/41/84/1348934184.db2.gz HKHWGKQQWDIMKG-CSKARUKUSA-N -1 1 326.385 2.043 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001589058522 1348955739 /nfs/dbraw/zinc/95/57/39/1348955739.db2.gz SGHZQXZPMJPSIU-SNVBAGLBSA-N -1 1 345.407 2.001 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1ccccc1F ZINC001589064570 1348956336 /nfs/dbraw/zinc/95/63/36/1348956336.db2.gz OIUBGFIHBPEIOE-UHFFFAOYSA-N -1 1 347.375 2.483 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1ccccc1F ZINC001589064570 1348956339 /nfs/dbraw/zinc/95/63/39/1348956339.db2.gz OIUBGFIHBPEIOE-UHFFFAOYSA-N -1 1 347.375 2.483 20 0 EEADMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001589127404 1348963200 /nfs/dbraw/zinc/96/32/00/1348963200.db2.gz NVWQGPRJJCFKBS-UHFFFAOYSA-N -1 1 337.811 2.453 20 0 EEADMM CC(C)=C(C)CC(=O)NC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001589350169 1348986509 /nfs/dbraw/zinc/98/65/09/1348986509.db2.gz VWJOBUKZQOQUQD-SNVBAGLBSA-N -1 1 349.464 2.295 20 0 EEADMM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589412846 1348989220 /nfs/dbraw/zinc/98/92/20/1348989220.db2.gz VVYCQBOROWGYAM-UHFFFAOYSA-N -1 1 341.327 2.273 20 0 EEADMM CC(C)CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589593495 1349007992 /nfs/dbraw/zinc/00/79/92/1349007992.db2.gz MDOFLBQYWJETMK-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589593495 1349007997 /nfs/dbraw/zinc/00/79/97/1349007997.db2.gz MDOFLBQYWJETMK-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001589771345 1349035870 /nfs/dbraw/zinc/03/58/70/1349035870.db2.gz LUGGJJPHRWCQAJ-UHFFFAOYSA-N -1 1 347.400 2.408 20 0 EEADMM CC(C)c1nccnc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589776532 1349038001 /nfs/dbraw/zinc/03/80/01/1349038001.db2.gz OIZWPTFNBQMTDA-UHFFFAOYSA-N -1 1 344.766 2.081 20 0 EEADMM CC1(C)Cc2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2O1 ZINC001590114166 1349161704 /nfs/dbraw/zinc/16/17/04/1349161704.db2.gz HXMVIMITLKOSFX-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM CC1(C)Cc2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2O1 ZINC001590114166 1349161707 /nfs/dbraw/zinc/16/17/07/1349161707.db2.gz HXMVIMITLKOSFX-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001590165581 1349181854 /nfs/dbraw/zinc/18/18/54/1349181854.db2.gz NCLFVHDMNPXDJV-UVBJJODRSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590165581 1349181862 /nfs/dbraw/zinc/18/18/62/1349181862.db2.gz NCLFVHDMNPXDJV-UVBJJODRSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@@H]1C[C@@H](CCNC(=O)c2ccsc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001590188394 1349189567 /nfs/dbraw/zinc/18/95/67/1349189567.db2.gz CGXRWGWRCZZRHJ-JGPRNRPPSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1C[C@@H](CCNC(=O)c2ccsc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590188394 1349189570 /nfs/dbraw/zinc/18/95/70/1349189570.db2.gz CGXRWGWRCZZRHJ-JGPRNRPPSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@H](C(=O)OCC[C@H]1C[C@H](C)C[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190536 1349190266 /nfs/dbraw/zinc/19/02/66/1349190266.db2.gz ZYORMVVWJSUYBC-XQHKEYJVSA-N -1 1 347.423 2.025 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590233817 1349216233 /nfs/dbraw/zinc/21/62/33/1349216233.db2.gz MPEKDMKCWBBQSU-NTSWFWBYSA-N -1 1 327.801 2.287 20 0 EEADMM CCC(CC)n1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590436808 1349325051 /nfs/dbraw/zinc/32/50/51/1349325051.db2.gz QOHAZYNQQAXCLD-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CCC(CC)n1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590436808 1349325055 /nfs/dbraw/zinc/32/50/55/1349325055.db2.gz QOHAZYNQQAXCLD-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CC[C@H](CO)Sc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001590448339 1349330256 /nfs/dbraw/zinc/33/02/56/1349330256.db2.gz LSKXZKNARMFHEI-SSDOTTSWSA-N -1 1 333.339 2.452 20 0 EEADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590471686 1349345474 /nfs/dbraw/zinc/34/54/74/1349345474.db2.gz LRBITQAEAOXERO-DGCLKSJQSA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590471686 1349345479 /nfs/dbraw/zinc/34/54/79/1349345479.db2.gz LRBITQAEAOXERO-DGCLKSJQSA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H](O)C(F)(F)F ZINC001590474343 1349348259 /nfs/dbraw/zinc/34/82/59/1349348259.db2.gz FLLYOFJQRLZVHZ-NQXXGFSBSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H](O)C(F)(F)F ZINC001590474343 1349348264 /nfs/dbraw/zinc/34/82/64/1349348264.db2.gz FLLYOFJQRLZVHZ-NQXXGFSBSA-N -1 1 342.734 2.090 20 0 EEADMM CCc1nc(Nc2ccc([C@@H]3CCOC3)cc2)cc(-c2nnn[n-]2)n1 ZINC001590925776 1349415645 /nfs/dbraw/zinc/41/56/45/1349415645.db2.gz WXISSAZURHGIFJ-GFCCVEGCSA-N -1 1 337.387 2.467 20 0 EEADMM CCc1nc(Nc2ccc([C@@H]3CCOC3)cc2)cc(-c2nn[n-]n2)n1 ZINC001590925776 1349415648 /nfs/dbraw/zinc/41/56/48/1349415648.db2.gz WXISSAZURHGIFJ-GFCCVEGCSA-N -1 1 337.387 2.467 20 0 EEADMM COc1cc(C)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1OC ZINC001591521466 1349496155 /nfs/dbraw/zinc/49/61/55/1349496155.db2.gz ZOGPFEZSNDWPIX-UHFFFAOYSA-N -1 1 343.343 2.346 20 0 EEADMM COc1cc(C)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1OC ZINC001591521466 1349496158 /nfs/dbraw/zinc/49/61/58/1349496158.db2.gz ZOGPFEZSNDWPIX-UHFFFAOYSA-N -1 1 343.343 2.346 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC001591621577 1349518385 /nfs/dbraw/zinc/51/83/85/1349518385.db2.gz KYHHDZSQWLRFCR-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC001591621577 1349518389 /nfs/dbraw/zinc/51/83/89/1349518389.db2.gz KYHHDZSQWLRFCR-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1C ZINC001591621971 1349518425 /nfs/dbraw/zinc/51/84/25/1349518425.db2.gz PBKCVYVDAFRFCK-SNVBAGLBSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001591621971 1349518429 /nfs/dbraw/zinc/51/84/29/1349518429.db2.gz PBKCVYVDAFRFCK-SNVBAGLBSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591646759 1349523999 /nfs/dbraw/zinc/52/39/99/1349523999.db2.gz JBMDZFDHKUXSTA-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591646759 1349524001 /nfs/dbraw/zinc/52/40/01/1349524001.db2.gz JBMDZFDHKUXSTA-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC001592109848 1349592291 /nfs/dbraw/zinc/59/22/91/1349592291.db2.gz DXRBFTUHIQRWLY-SNVBAGLBSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC001592109848 1349592297 /nfs/dbraw/zinc/59/22/97/1349592297.db2.gz DXRBFTUHIQRWLY-SNVBAGLBSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc2nc(NC(=O)c3ccc(-c4nn[nH]n4)c([O-])c3)[nH]c2c1 ZINC001592198969 1349605644 /nfs/dbraw/zinc/60/56/44/1349605644.db2.gz WSMYNBMINLZUMW-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM Cc1nc(C)c(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)s1 ZINC001592357080 1349624601 /nfs/dbraw/zinc/62/46/01/1349624601.db2.gz CVWQEFURBVTREU-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1ncc(CN(C)c2nc(Cl)c(-c3nnn[n-]3)s2)s1 ZINC001592409982 1349627954 /nfs/dbraw/zinc/62/79/54/1349627954.db2.gz RPNICNJQWKAFNQ-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1ncc(CN(C)c2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001592409982 1349627956 /nfs/dbraw/zinc/62/79/56/1349627956.db2.gz RPNICNJQWKAFNQ-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@@H](C)c2ccco2)c1-c1nnn[n-]1 ZINC001592468138 1349634790 /nfs/dbraw/zinc/63/47/90/1349634790.db2.gz CNGOLXKRSBKXBE-MRVPVSSYSA-N -1 1 332.389 2.381 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001592468138 1349634791 /nfs/dbraw/zinc/63/47/91/1349634791.db2.gz CNGOLXKRSBKXBE-MRVPVSSYSA-N -1 1 332.389 2.381 20 0 EEADMM Cc1nsc(N[C@@H](C)CNC(=O)/C=C/C(C)(C)C)c1-c1nn[n-]n1 ZINC001592484662 1349636689 /nfs/dbraw/zinc/63/66/89/1349636689.db2.gz QJCOZDKJMNOIEB-UCUJLANTSA-N -1 1 349.464 2.151 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cccnc1 ZINC001592506596 1349642619 /nfs/dbraw/zinc/64/26/19/1349642619.db2.gz PPOVBNPVUDEGKF-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccnc1 ZINC001592506596 1349642622 /nfs/dbraw/zinc/64/26/22/1349642622.db2.gz PPOVBNPVUDEGKF-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Clc1nsc(NC[C@H]2CC3(CCC3)CO2)c1-c1nnn[n-]1 ZINC001592541842 1349654237 /nfs/dbraw/zinc/65/42/37/1349654237.db2.gz QVICYKVRWKMZMC-SSDOTTSWSA-N -1 1 326.813 2.348 20 0 EEADMM Clc1nsc(NC[C@H]2CC3(CCC3)CO2)c1-c1nn[n-]n1 ZINC001592541842 1349654239 /nfs/dbraw/zinc/65/42/39/1349654239.db2.gz QVICYKVRWKMZMC-SSDOTTSWSA-N -1 1 326.813 2.348 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001592622288 1349676146 /nfs/dbraw/zinc/67/61/46/1349676146.db2.gz AMJXMODPGXYLLO-MRTMQBJTSA-N -1 1 326.282 2.012 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC001592622288 1349676150 /nfs/dbraw/zinc/67/61/50/1349676150.db2.gz AMJXMODPGXYLLO-MRTMQBJTSA-N -1 1 326.282 2.012 20 0 EEADMM FC(F)O[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001592623399 1349676992 /nfs/dbraw/zinc/67/69/92/1349676992.db2.gz NJGMXFAVKYISNF-YFKPBYRVSA-N -1 1 336.755 2.185 20 0 EEADMM Fc1cccc(N2CCCC2)c1CNCc1ccc(-c2nnn[n-]2)o1 ZINC001592658344 1349702581 /nfs/dbraw/zinc/70/25/81/1349702581.db2.gz YRXIQZBZVJTCMS-UHFFFAOYSA-N -1 1 342.378 2.489 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CC2CCC1CC2 ZINC001593137893 1349739880 /nfs/dbraw/zinc/73/98/80/1349739880.db2.gz ZMZVCWAEGTXYMK-RTYFJBAXSA-N -1 1 332.433 2.306 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593180687 1349744748 /nfs/dbraw/zinc/74/47/48/1349744748.db2.gz HRMWGFKOHQIEPQ-WDEREUQCSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593180687 1349744752 /nfs/dbraw/zinc/74/47/52/1349744752.db2.gz HRMWGFKOHQIEPQ-WDEREUQCSA-N -1 1 329.747 2.399 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC(C2CCC2)CC1 ZINC001593253676 1349752122 /nfs/dbraw/zinc/75/21/22/1349752122.db2.gz FHDBBPWZKGXFBK-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC(C2CCC2)CC1 ZINC001593253676 1349752124 /nfs/dbraw/zinc/75/21/24/1349752124.db2.gz FHDBBPWZKGXFBK-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cnc(Cl)cc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001593258723 1349753198 /nfs/dbraw/zinc/75/31/98/1349753198.db2.gz OPSNHBUYGPOWQK-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(Nc1cnc(Cl)cc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001593258723 1349753200 /nfs/dbraw/zinc/75/32/00/1349753200.db2.gz OPSNHBUYGPOWQK-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593263023 1349755159 /nfs/dbraw/zinc/75/51/59/1349755159.db2.gz ZEZYQVNYNHAQMZ-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593263023 1349755162 /nfs/dbraw/zinc/75/51/62/1349755162.db2.gz ZEZYQVNYNHAQMZ-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCc1ccccc1)C1CC1 ZINC001593336799 1349783112 /nfs/dbraw/zinc/78/31/12/1349783112.db2.gz BWVBOTCCWCRAGF-UHFFFAOYSA-N -1 1 334.383 2.109 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCc1ccccc1)C1CC1 ZINC001593336799 1349783114 /nfs/dbraw/zinc/78/31/14/1349783114.db2.gz BWVBOTCCWCRAGF-UHFFFAOYSA-N -1 1 334.383 2.109 20 0 EEADMM O=C1OCC[C@H]1CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593414795 1349797950 /nfs/dbraw/zinc/79/79/50/1349797950.db2.gz NSWJCFRPDRUIJV-LLVKDONJSA-N -1 1 338.371 2.170 20 0 EEADMM O=C1OCC[C@H]1CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593414795 1349797955 /nfs/dbraw/zinc/79/79/55/1349797955.db2.gz NSWJCFRPDRUIJV-LLVKDONJSA-N -1 1 338.371 2.170 20 0 EEADMM [O-]c1ccc(CN2Cc3ccc(-c4nn[nH]n4)cc3C2)c(F)c1F ZINC001593540938 1349837544 /nfs/dbraw/zinc/83/75/44/1349837544.db2.gz YSWWCPIYQXOPHO-UHFFFAOYSA-N -1 1 329.310 2.366 20 0 EEADMM c1cc2c(cc1Nc1cc(-c3nnn[n-]3)nc(C3CC3)n1)OCCO2 ZINC001593564969 1349851272 /nfs/dbraw/zinc/85/12/72/1349851272.db2.gz OPUTUULZDXCTBY-UHFFFAOYSA-N -1 1 337.343 2.049 20 0 EEADMM c1cc2c(cc1Nc1cc(-c3nn[n-]n3)nc(C3CC3)n1)OCCO2 ZINC001593564969 1349851276 /nfs/dbraw/zinc/85/12/76/1349851276.db2.gz OPUTUULZDXCTBY-UHFFFAOYSA-N -1 1 337.343 2.049 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC001593572270 1349857520 /nfs/dbraw/zinc/85/75/20/1349857520.db2.gz WLBGBHVSXJARHT-OAHLLOKOSA-N -1 1 339.399 2.293 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC001593572270 1349857527 /nfs/dbraw/zinc/85/75/27/1349857527.db2.gz WLBGBHVSXJARHT-OAHLLOKOSA-N -1 1 339.399 2.293 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001594806253 1349877831 /nfs/dbraw/zinc/87/78/31/1349877831.db2.gz BBELPXHPZOQZJB-WDMOLILDSA-N -1 1 329.356 2.464 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)n1C ZINC001599995321 1349952012 /nfs/dbraw/zinc/95/20/12/1349952012.db2.gz MVFWHTFQFQKGAI-OAHLLOKOSA-N -1 1 325.372 2.029 20 0 EEADMM Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1N1CCN(C)CC1 ZINC001600272721 1350008237 /nfs/dbraw/zinc/00/82/37/1350008237.db2.gz TXVACWHTZXEACC-LSDHHAIUSA-N -1 1 345.443 2.186 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc3c(c2)COC3)nc(C)c1C(=O)[O-] ZINC001600284094 1350010761 /nfs/dbraw/zinc/01/07/61/1350010761.db2.gz PLBQLJZTUJRVEJ-UHFFFAOYSA-N -1 1 348.380 2.228 20 0 EEADMM Cc1ccc(CC2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)cc1C ZINC001600404348 1350041693 /nfs/dbraw/zinc/04/16/93/1350041693.db2.gz MJPLSEHKINHRKD-HNNXBMFYSA-N -1 1 332.444 2.147 20 0 EEADMM Cc1ccc(N2CCC(CCN3CCOCC3)CC2)nc1C(=O)[O-] ZINC001600437325 1350051242 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/nfs/dbraw/zinc/85/70/95/1350857095.db2.gz PIDLQTNRNDMPGO-HIFRSBDPSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604103375 1350858488 /nfs/dbraw/zinc/85/84/88/1350858488.db2.gz WTEUSHGIIOBRBB-IUODEOHRSA-N -1 1 345.403 2.404 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCCOC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604103375 1350858490 /nfs/dbraw/zinc/85/84/90/1350858490.db2.gz WTEUSHGIIOBRBB-IUODEOHRSA-N -1 1 345.403 2.404 20 0 EEADMM CC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@H](CC)CO1 ZINC001604111121 1350861407 /nfs/dbraw/zinc/86/14/07/1350861407.db2.gz AECMKKWXTKTBPC-HTQZYQBOSA-N -1 1 328.829 2.370 20 0 EEADMM CC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@H](CC)CO1 ZINC001604111121 1350861408 /nfs/dbraw/zinc/86/14/08/1350861408.db2.gz AECMKKWXTKTBPC-HTQZYQBOSA-N -1 1 328.829 2.370 20 0 EEADMM CCCC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC001604120108 1350864281 /nfs/dbraw/zinc/86/42/81/1350864281.db2.gz PIMGJQDNOANJAF-UHFFFAOYSA-N -1 1 331.763 2.204 20 0 EEADMM C[C@@H](NC(=O)N1CCN(C(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC001604281215 1350908130 /nfs/dbraw/zinc/90/81/30/1350908130.db2.gz BQXPQIYGZWPNTB-SNVBAGLBSA-N -1 1 340.449 2.028 20 0 EEADMM CCOC(=O)[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001604382085 1350926843 /nfs/dbraw/zinc/92/68/43/1350926843.db2.gz JRGQIAHZKUNSFX-SSDOTTSWSA-N -1 1 344.828 2.366 20 0 EEADMM CCOc1cc(NCc2cccc(-c3nnn[n-]3)n2)ccc1OC ZINC001604451003 1350940778 /nfs/dbraw/zinc/94/07/78/1350940778.db2.gz BCKFFIWTUDERKF-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM CCOc1cc(NCc2cccc(-c3nn[n-]n3)n2)ccc1OC ZINC001604451003 1350940780 /nfs/dbraw/zinc/94/07/80/1350940780.db2.gz BCKFFIWTUDERKF-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM CCOc1ccc(C[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001604459307 1350942364 /nfs/dbraw/zinc/94/23/64/1350942364.db2.gz RFLIOWZEGGNTBM-GFCCVEGCSA-N -1 1 339.403 2.346 20 0 EEADMM CCOc1ccc(C[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001604459307 1350942366 /nfs/dbraw/zinc/94/23/66/1350942366.db2.gz RFLIOWZEGGNTBM-GFCCVEGCSA-N -1 1 339.403 2.346 20 0 EEADMM CCc1cccc2c(CCNc3cnc(-c4nnn[n-]4)cn3)c[nH]c21 ZINC001604531211 1350956096 /nfs/dbraw/zinc/95/60/96/1350956096.db2.gz WLJRMPBYGONUFJ-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1cccc2c(CCNc3cnc(-c4nn[n-]n4)cn3)c[nH]c21 ZINC001604531211 1350956098 /nfs/dbraw/zinc/95/60/98/1350956098.db2.gz WLJRMPBYGONUFJ-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CN(C(=O)c1coc(-c2nnn[n-]2)c1)C1C2CC3CC(C2)CC1C3 ZINC001604666438 1350980660 /nfs/dbraw/zinc/98/06/60/1350980660.db2.gz RXDTZOQRFQPQDL-UHFFFAOYSA-N -1 1 327.388 2.356 20 0 EEADMM CN(C(=O)c1coc(-c2nn[n-]n2)c1)C1C2CC3CC(C2)CC1C3 ZINC001604666438 1350980663 /nfs/dbraw/zinc/98/06/63/1350980663.db2.gz RXDTZOQRFQPQDL-UHFFFAOYSA-N -1 1 327.388 2.356 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001604767797 1350998984 /nfs/dbraw/zinc/99/89/84/1350998984.db2.gz WVECFMPKOMKQQV-HWPZZCPQSA-N -1 1 325.368 2.363 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604766677 1350999071 /nfs/dbraw/zinc/99/90/71/1350999071.db2.gz KZGKEYZYJGPDPY-IFIJOSMWSA-N -1 1 341.411 2.135 20 0 EEADMM CN(C[C@]12CCC[C@H]1OCC2)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604794071 1351006810 /nfs/dbraw/zinc/00/68/10/1351006810.db2.gz AKNSMEAVOIFGAX-AMIZOPFISA-N -1 1 340.840 2.372 20 0 EEADMM CN(C[C@]12CCC[C@H]1OCC2)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604794071 1351006813 /nfs/dbraw/zinc/00/68/13/1351006813.db2.gz AKNSMEAVOIFGAX-AMIZOPFISA-N -1 1 340.840 2.372 20 0 EEADMM C[C@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@]2(CCOC2)O1 ZINC001604799382 1351008867 /nfs/dbraw/zinc/00/88/67/1351008867.db2.gz IGUYECJHQGTSFX-KSSFIOAISA-N -1 1 331.412 2.183 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001604975295 1351042827 /nfs/dbraw/zinc/04/28/27/1351042827.db2.gz RJINKXPMWFFPAA-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CC[C@H](C)[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001604975295 1351042829 /nfs/dbraw/zinc/04/28/29/1351042829.db2.gz RJINKXPMWFFPAA-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM CO[C@@H]1[C@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001605021836 1351057762 /nfs/dbraw/zinc/05/77/62/1351057762.db2.gz VDIUGBYCPYRNDL-BZHVJNSISA-N -1 1 329.408 2.006 20 0 EEADMM CO[C@@H]1[C@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001605021836 1351057763 /nfs/dbraw/zinc/05/77/63/1351057763.db2.gz VDIUGBYCPYRNDL-BZHVJNSISA-N -1 1 329.408 2.006 20 0 EEADMM COCc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001605133671 1351085017 /nfs/dbraw/zinc/08/50/17/1351085017.db2.gz DWOWDBNZBXLIRY-JXMROGBWSA-N -1 1 338.371 2.378 20 0 EEADMM COCc1nc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cs1 ZINC001605137087 1351085474 /nfs/dbraw/zinc/08/54/74/1351085474.db2.gz REKYQMPRGAFUJN-UHFFFAOYSA-N -1 1 343.825 2.192 20 0 EEADMM CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccn1 ZINC001605216328 1351106223 /nfs/dbraw/zinc/10/62/23/1351106223.db2.gz UYRACJZZMXTRPI-HOCLYGCPSA-N -1 1 348.447 2.113 20 0 EEADMM COc1ccc(C2CC2)cc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001605268073 1351121145 /nfs/dbraw/zinc/12/11/45/1351121145.db2.gz IVACBHYABSDFKZ-UHFFFAOYSA-N -1 1 342.428 2.499 20 0 EEADMM COc1ccc(C2CC2)cc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001605268073 1351121148 /nfs/dbraw/zinc/12/11/48/1351121148.db2.gz IVACBHYABSDFKZ-UHFFFAOYSA-N -1 1 342.428 2.499 20 0 EEADMM COc1ccc(CN(C)c2ccc(C)c(-c3nnn[n-]3)n2)cc1OC ZINC001605274351 1351121828 /nfs/dbraw/zinc/12/18/28/1351121828.db2.gz CNMQFVSFRQYNKK-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1ccc(CN(C)c2ccc(C)c(-c3nn[n-]n3)n2)cc1OC ZINC001605274351 1351121830 /nfs/dbraw/zinc/12/18/30/1351121830.db2.gz CNMQFVSFRQYNKK-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)nc1 ZINC001605405408 1351155292 /nfs/dbraw/zinc/15/52/92/1351155292.db2.gz UAEWUEQUUPPZNO-MRVPVSSYSA-N -1 1 335.293 2.271 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1 ZINC001605405408 1351155297 /nfs/dbraw/zinc/15/52/97/1351155297.db2.gz UAEWUEQUUPPZNO-MRVPVSSYSA-N -1 1 335.293 2.271 20 0 EEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001605447745 1351159901 /nfs/dbraw/zinc/15/99/01/1351159901.db2.gz HUYDLYYMFRHQEJ-VIFPVBQESA-N -1 1 347.425 2.194 20 0 EEADMM C[C@H]1c2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001605447745 1351159911 /nfs/dbraw/zinc/15/99/11/1351159911.db2.gz HUYDLYYMFRHQEJ-VIFPVBQESA-N -1 1 347.425 2.194 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCC1CC1 ZINC001605457206 1351163043 /nfs/dbraw/zinc/16/30/43/1351163043.db2.gz YOHLIBNJYRBLNZ-UHFFFAOYSA-N -1 1 345.403 2.250 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001605480768 1351167752 /nfs/dbraw/zinc/16/77/52/1351167752.db2.gz KAWJMMKTQXWJDL-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001605480768 1351167754 /nfs/dbraw/zinc/16/77/54/1351167754.db2.gz KAWJMMKTQXWJDL-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1cc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)no1 ZINC001605662043 1351213159 /nfs/dbraw/zinc/21/31/59/1351213159.db2.gz QZJRBQCBACKUSD-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1cc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)no1 ZINC001605662043 1351213162 /nfs/dbraw/zinc/21/31/62/1351213162.db2.gz QZJRBQCBACKUSD-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605878986 1351244790 /nfs/dbraw/zinc/24/47/90/1351244790.db2.gz XQQOIMAKFCCBHK-UHFFFAOYSA-N -1 1 347.329 2.487 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605878986 1351244792 /nfs/dbraw/zinc/24/47/92/1351244792.db2.gz XQQOIMAKFCCBHK-UHFFFAOYSA-N -1 1 347.329 2.487 20 0 EEADMM Cc1nc(N[C@@H](C)c2cc(F)ccc2N(C)C)cc(-c2nnn[n-]2)n1 ZINC001606061532 1351267382 /nfs/dbraw/zinc/26/73/82/1351267382.db2.gz YTNDKQXGFZWRSC-VIFPVBQESA-N -1 1 342.382 2.343 20 0 EEADMM Cc1nc(N[C@@H](C)c2cc(F)ccc2N(C)C)cc(-c2nn[n-]n2)n1 ZINC001606061532 1351267383 /nfs/dbraw/zinc/26/73/83/1351267383.db2.gz YTNDKQXGFZWRSC-VIFPVBQESA-N -1 1 342.382 2.343 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1 ZINC001606169059 1351280653 /nfs/dbraw/zinc/28/06/53/1351280653.db2.gz ZKDJEKQQJVJXOW-INIZCTEOSA-N -1 1 345.443 2.013 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2CC2CCC2)nc1-c1nnn[n-]1 ZINC001606191131 1351283559 /nfs/dbraw/zinc/28/35/59/1351283559.db2.gz HJCZRJHRARTPOD-NSHDSACASA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2CC2CCC2)nc1-c1nn[n-]n1 ZINC001606191131 1351283561 /nfs/dbraw/zinc/28/35/61/1351283561.db2.gz HJCZRJHRARTPOD-NSHDSACASA-N -1 1 334.811 2.311 20 0 EEADMM Clc1nc(N[C@@H]2CCN(c3ccccn3)C2)sc1-c1nnn[n-]1 ZINC001606200097 1351284628 /nfs/dbraw/zinc/28/46/28/1351284628.db2.gz WPYWHBZBPVZNPG-MRVPVSSYSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1nc(N[C@@H]2CCN(c3ccccn3)C2)sc1-c1nn[n-]n1 ZINC001606200097 1351284631 /nfs/dbraw/zinc/28/46/31/1351284631.db2.gz WPYWHBZBPVZNPG-MRVPVSSYSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1nsc(N2CCC[C@@H]2c2ncccn2)c1-c1nnn[n-]1 ZINC001606200161 1351284855 /nfs/dbraw/zinc/28/48/55/1351284855.db2.gz YKYKTNNMKMEIGN-SSDOTTSWSA-N -1 1 334.796 2.108 20 0 EEADMM Clc1nsc(N2CCC[C@@H]2c2ncccn2)c1-c1nn[n-]n1 ZINC001606200161 1351284857 /nfs/dbraw/zinc/28/48/57/1351284857.db2.gz YKYKTNNMKMEIGN-SSDOTTSWSA-N -1 1 334.796 2.108 20 0 EEADMM COC(=O)[C@H]1CCN(Cc2ccc(CC(C)C)nc2)[C@H](C(=O)[O-])C1 ZINC001606411476 1351301920 /nfs/dbraw/zinc/30/19/20/1351301920.db2.gz PHYOJUPQZZVAGV-HOCLYGCPSA-N -1 1 334.416 2.118 20 0 EEADMM COC(=O)COc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001606474182 1351307241 /nfs/dbraw/zinc/30/72/41/1351307241.db2.gz PHODIVQHSMFFJU-NSHDSACASA-N -1 1 333.340 2.380 20 0 EEADMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606498866 1351312622 /nfs/dbraw/zinc/31/26/22/1351312622.db2.gz QBCFLSMTXPKUHU-SFYZADRCSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(COc1cccnc1-c1nnn[n-]1)Nc1ccc(F)cc1Cl ZINC001606579119 1351325217 /nfs/dbraw/zinc/32/52/17/1351325217.db2.gz CTVRHPCXXUFNOS-UHFFFAOYSA-N -1 1 348.725 2.072 20 0 EEADMM O=C(COc1cccnc1-c1nn[n-]n1)Nc1ccc(F)cc1Cl ZINC001606579119 1351325222 /nfs/dbraw/zinc/32/52/22/1351325222.db2.gz CTVRHPCXXUFNOS-UHFFFAOYSA-N -1 1 348.725 2.072 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@@H]1CCCC1(F)F ZINC001606596971 1351329256 /nfs/dbraw/zinc/32/92/56/1351329256.db2.gz ZZDYCTMAEVKTRD-NSHDSACASA-N -1 1 337.330 2.173 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@@H]1CCCC1(F)F ZINC001606596971 1351329257 /nfs/dbraw/zinc/32/92/57/1351329257.db2.gz ZZDYCTMAEVKTRD-NSHDSACASA-N -1 1 337.330 2.173 20 0 EEADMM O=C(NCc1c(F)cccc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606814391 1351359559 /nfs/dbraw/zinc/35/95/59/1351359559.db2.gz HMZNYODZLSZLJD-UHFFFAOYSA-N -1 1 347.741 2.376 20 0 EEADMM O=C(NCc1c(F)cccc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606814391 1351359561 /nfs/dbraw/zinc/35/95/61/1351359561.db2.gz HMZNYODZLSZLJD-UHFFFAOYSA-N -1 1 347.741 2.376 20 0 EEADMM O=C(Nc1nc(C(F)(F)F)co1)c1ccc(-c2nnn[n-]2)s1 ZINC001606950300 1351382963 /nfs/dbraw/zinc/38/29/63/1351382963.db2.gz UAJCORAEGIFNCZ-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1nc(C(F)(F)F)co1)c1ccc(-c2nn[n-]n2)s1 ZINC001606950300 1351382966 /nfs/dbraw/zinc/38/29/66/1351382966.db2.gz UAJCORAEGIFNCZ-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCC(F)(F)C1 ZINC001606950118 1351383156 /nfs/dbraw/zinc/38/31/56/1351383156.db2.gz QWCLBTITKXHYBY-SCSAIBSYSA-N -1 1 349.754 2.286 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001607017609 1351398030 /nfs/dbraw/zinc/39/80/30/1351398030.db2.gz YYIMQMPIJLQSTI-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001607017609 1351398033 /nfs/dbraw/zinc/39/80/33/1351398033.db2.gz YYIMQMPIJLQSTI-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccc(Oc2ccncc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC001607018746 1351398935 /nfs/dbraw/zinc/39/89/35/1351398935.db2.gz OTABIJOOWZWFBS-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCc2cc(F)cc(F)c21 ZINC001607026012 1351400158 /nfs/dbraw/zinc/40/01/58/1351400158.db2.gz UCRIMPWSQAVEIN-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCc2cc(F)cc(F)c21 ZINC001607026012 1351400159 /nfs/dbraw/zinc/40/01/59/1351400159.db2.gz UCRIMPWSQAVEIN-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001607026492 1351400545 /nfs/dbraw/zinc/40/05/45/1351400545.db2.gz DDNYUKZGVMNARW-NSHDSACASA-N -1 1 341.396 2.264 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001607026492 1351400547 /nfs/dbraw/zinc/40/05/47/1351400547.db2.gz DDNYUKZGVMNARW-NSHDSACASA-N -1 1 341.396 2.264 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001607090269 1351414007 /nfs/dbraw/zinc/41/40/07/1351414007.db2.gz OBZXAHWSJPYXFZ-OUJBWJOFSA-N -1 1 343.412 2.201 20 0 EEADMM O[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC001607097313 1351416354 /nfs/dbraw/zinc/41/63/54/1351416354.db2.gz OOWPPXDQWDRMPH-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC001607097313 1351416356 /nfs/dbraw/zinc/41/63/56/1351416356.db2.gz OOWPPXDQWDRMPH-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001607108825 1351422026 /nfs/dbraw/zinc/42/20/26/1351422026.db2.gz ZTVZPACTFRCJIC-GZMMTYOYSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@@H]1CCCC[C@H]1CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001607108825 1351422027 /nfs/dbraw/zinc/42/20/27/1351422027.db2.gz ZTVZPACTFRCJIC-GZMMTYOYSA-N -1 1 342.325 2.244 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607127137 1351430643 /nfs/dbraw/zinc/43/06/43/1351430643.db2.gz SSQQWMWFBIBKAN-CZUORRHYSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607127137 1351430644 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CCC[C@@H](C(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-])C(C)C ZINC001388054780 1387159754 /nfs/dbraw/zinc/15/97/54/1387159754.db2.gz FGWONZXNAVIIOB-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001388053589 1387159902 /nfs/dbraw/zinc/15/99/02/1387159902.db2.gz BKFKBQROGAKOKR-BFHYXJOUSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)c1ccccc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001392888699 1390235769 /nfs/dbraw/zinc/23/57/69/1390235769.db2.gz NCUQJNXTTKPBRS-ZDUSSCGKSA-N -1 1 341.411 2.459 20 0 EEADMM O=C(NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1)C1=CCCC1 ZINC001394180568 1390639093 /nfs/dbraw/zinc/63/90/93/1390639093.db2.gz KUQFKXHWAMIASV-HNNXBMFYSA-N -1 1 343.427 2.302 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001396812640 1390972764 /nfs/dbraw/zinc/97/27/64/1390972764.db2.gz KURKSWWCKVDVOU-ZIAGYGMSSA-N -1 1 333.432 2.144 20 0 EEADMM O=C(NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCCC1 ZINC001397643113 1391398210 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CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=CCCCCC1 ZINC001425177092 1401482916 /nfs/dbraw/zinc/48/29/16/1401482916.db2.gz WAVMKKAOXKNZKS-AWEZNQCLSA-N -1 1 335.452 2.165 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001426003646 1401844785 /nfs/dbraw/zinc/84/47/85/1401844785.db2.gz VORMAZPGTRBQFC-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001427336230 1402362998 /nfs/dbraw/zinc/36/29/98/1402362998.db2.gz GAFDJKXHCSOBFF-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001432733636 1403283726 /nfs/dbraw/zinc/28/37/26/1403283726.db2.gz RKGABOLUNGTCIQ-SCLBCKFNSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(C)(C)CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576539642 1403581647 /nfs/dbraw/zinc/58/16/47/1403581647.db2.gz IMIIITYCCHMWOX-UHFFFAOYSA-N -1 1 348.476 2.055 20 0 EEADMM CCc1cccnc1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001578545026 1403770079 /nfs/dbraw/zinc/77/00/79/1403770079.db2.gz DZGOXABJHKTSCU-UHFFFAOYSA-N -1 1 335.780 2.186 20 0 EEADMM COc1cccc(SC)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001580074953 1403822216 /nfs/dbraw/zinc/82/22/16/1403822216.db2.gz RKJPOILDGITHDP-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1cccc(SC)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001580074953 1403822228 /nfs/dbraw/zinc/82/22/28/1403822228.db2.gz RKJPOILDGITHDP-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM CS[C@H]1CC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001580204034 1403845978 /nfs/dbraw/zinc/84/59/78/1403845978.db2.gz GDIHAFKEPHXKQR-IUCAKERBSA-N -1 1 338.462 2.012 20 0 EEADMM COC(=O)c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC001591298684 1403903461 /nfs/dbraw/zinc/90/34/61/1403903461.db2.gz UYHSSLFLOBFTDX-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COC(=O)c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC001591298684 1403903464 /nfs/dbraw/zinc/90/34/64/1403903464.db2.gz UYHSSLFLOBFTDX-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC(F)(F)c2ccccc2C)n1 ZINC001591894672 1403969435 /nfs/dbraw/zinc/96/94/35/1403969435.db2.gz MIQYJARNFBVZSO-UHFFFAOYSA-N -1 1 331.330 2.477 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC(F)(F)c2ccccc2C)n1 ZINC001591894672 1403969438 /nfs/dbraw/zinc/96/94/38/1403969438.db2.gz MIQYJARNFBVZSO-UHFFFAOYSA-N -1 1 331.330 2.477 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2nccn2-c2ccccc2)n1 ZINC001591890556 1403970434 /nfs/dbraw/zinc/97/04/34/1403970434.db2.gz BMKPJVWUEWKXKI-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2nccn2-c2ccccc2)n1 ZINC001591890556 1403970437 /nfs/dbraw/zinc/97/04/37/1403970437.db2.gz BMKPJVWUEWKXKI-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(C(F)(F)F)ccc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001591940844 1403973769 /nfs/dbraw/zinc/97/37/69/1403973769.db2.gz UIKLQIWBDTXWBQ-UHFFFAOYSA-N -1 1 335.293 2.018 20 0 EEADMM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592150869 1404007676 /nfs/dbraw/zinc/00/76/76/1404007676.db2.gz ZQKQCIXARYQBLS-SNVBAGLBSA-N -1 1 341.375 2.306 20 0 EEADMM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592150869 1404007685 /nfs/dbraw/zinc/00/76/85/1404007685.db2.gz ZQKQCIXARYQBLS-SNVBAGLBSA-N -1 1 341.375 2.306 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001592152235 1404008002 /nfs/dbraw/zinc/00/80/02/1404008002.db2.gz SUSYNIXFOXTOPS-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001592152235 1404008006 /nfs/dbraw/zinc/00/80/06/1404008006.db2.gz SUSYNIXFOXTOPS-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC001592327143 1404019623 /nfs/dbraw/zinc/01/96/23/1404019623.db2.gz DIOOWVDVSFAZSS-IJLUTSLNSA-N -1 1 329.408 2.443 20 0 EEADMM Cc1nsc(NC[C@H](C)NC(=O)/C=C\C(C)(C)C)c1-c1nn[n-]n1 ZINC001592493471 1404702760 /nfs/dbraw/zinc/70/27/60/1404702760.db2.gz XBWWJJYVDUFYCB-NMTCXDENSA-N -1 1 349.464 2.151 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(C2CCC2)cn1 ZINC001592915663 1404728946 /nfs/dbraw/zinc/72/89/46/1404728946.db2.gz PLGYTQDUEUKLEG-UHFFFAOYSA-N -1 1 335.371 2.105 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(C2CCC2)cn1 ZINC001592915663 1404728950 /nfs/dbraw/zinc/72/89/50/1404728950.db2.gz PLGYTQDUEUKLEG-UHFFFAOYSA-N -1 1 335.371 2.105 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)cc1F ZINC001592915862 1404729268 /nfs/dbraw/zinc/72/92/68/1404729268.db2.gz SYNGNJQWMVZUOR-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)cc1F ZINC001592915862 1404729271 /nfs/dbraw/zinc/72/92/71/1404729271.db2.gz SYNGNJQWMVZUOR-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC001592913782 1404729513 /nfs/dbraw/zinc/72/95/13/1404729513.db2.gz HQQXEEMKHYMGGU-GJZGRUSLSA-N -1 1 340.431 2.137 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC001592913782 1404729518 /nfs/dbraw/zinc/72/95/18/1404729518.db2.gz HQQXEEMKHYMGGU-GJZGRUSLSA-N -1 1 340.431 2.137 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593027979 1404734175 /nfs/dbraw/zinc/73/41/75/1404734175.db2.gz KWZLASOAFXPETQ-JTQLQIEISA-N -1 1 347.419 2.269 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593027979 1404734181 /nfs/dbraw/zinc/73/41/81/1404734181.db2.gz KWZLASOAFXPETQ-JTQLQIEISA-N -1 1 347.419 2.269 20 0 EEADMM O=C(NC[C@@H]1CCCCS1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593032882 1404737799 /nfs/dbraw/zinc/73/77/99/1404737799.db2.gz CBMRFRHEMBIONP-JTQLQIEISA-N -1 1 342.428 2.364 20 0 EEADMM CCOc1ccc2nc(S[C@@H]3CCN(CCC(=O)[O-])C3=O)[nH]c2c1 ZINC001605702231 1404750212 /nfs/dbraw/zinc/75/02/12/1404750212.db2.gz GOHHYJRYAPSIIS-CYBMUJFWSA-N -1 1 349.412 2.129 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(F)c(F)cc2Cl)c1-c1nn[n-]n1 ZINC001606014603 1404754875 /nfs/dbraw/zinc/75/48/75/1404754875.db2.gz LSQBNUFLHVUXRE-UHFFFAOYSA-N -1 1 339.693 2.082 20 0 EEADMM Fc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)c(F)c1F ZINC001606318914 1404790509 /nfs/dbraw/zinc/79/05/09/1404790509.db2.gz DYFFJKUPYJLUOX-UHFFFAOYSA-N -1 1 326.307 2.030 20 0 EEADMM Fc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)c(F)c1F ZINC001606318914 1404790517 /nfs/dbraw/zinc/79/05/17/1404790517.db2.gz DYFFJKUPYJLUOX-UHFFFAOYSA-N -1 1 326.307 2.030 20 0 EEADMM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)COCc2nn[n-]n2)cc1 ZINC001646230339 1404883057 /nfs/dbraw/zinc/88/30/57/1404883057.db2.gz DPRPVRNTWHJRKI-OAHLLOKOSA-N -1 1 343.431 2.378 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)/C=C/C(C)(C)C ZINC001757280864 1409615521 /nfs/dbraw/zinc/61/55/21/1409615521.db2.gz UMIKLUVCFJDKRH-BUUCAEBMSA-N -1 1 331.416 2.062 20 0 EEADMM CCC(CC)(CNC(=O)N1CCN(C)C[C@H]1CC(C)C)C(=O)[O-] ZINC001772201563 1410095161 /nfs/dbraw/zinc/09/51/61/1410095161.db2.gz SPVPUCZDZOFWFU-CQSZACIVSA-N -1 1 327.469 2.249 20 0 EEADMM Cc1c[nH]c([C@@]2(NC(=O)Cc3ccc([O-])c(Cl)c3)CCOC2)n1 ZINC000869008476 1410353062 /nfs/dbraw/zinc/35/30/62/1410353062.db2.gz IPCWLVATFLTMSJ-MRXNPFEDSA-N -1 1 335.791 2.052 20 0 EEADMM CN(C)c1nc([C@H]2CC[N@H+](Cc3coc(C4CC4)n3)C2)cc(=O)[nH]1 ZINC000864330979 1410461557 /nfs/dbraw/zinc/46/15/57/1410461557.db2.gz YLUAARFZBIEWTM-LBPRGKRZSA-N -1 1 329.404 2.103 20 0 EEADMM CSc1nc(NC(=O)Cc2ccc(NC(C)=O)cc2)cc(=O)[n-]1 ZINC001144882456 790287426 /nfs/dbraw/zinc/28/74/26/790287426.db2.gz UCEWXFXGHWWBDI-UHFFFAOYSA-N -1 1 332.385 2.044 20 0 EEADMM Cc1ccsc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001075428557 759928290 /nfs/dbraw/zinc/92/82/90/759928290.db2.gz ZCNFUXOTJKJJGL-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM Cc1n[nH]c(C(=O)NCCN[C@H](C)c2cccc(Cl)c2F)c1[O-] ZINC001125734406 761197420 /nfs/dbraw/zinc/19/74/20/761197420.db2.gz OLDVLUJATOTDSB-MRVPVSSYSA-N -1 1 340.786 2.297 20 0 EEADMM CCCC[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000780384710 761466887 /nfs/dbraw/zinc/46/68/87/761466887.db2.gz KNUVQRNMCLFESZ-OLZOCXBDSA-N -1 1 327.450 2.293 20 0 EEADMM CNC(=O)COc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000920456197 770712451 /nfs/dbraw/zinc/71/24/51/770712451.db2.gz AYVGOLFWRLWWLP-UHFFFAOYSA-N -1 1 348.786 2.100 20 0 EEADMM O=C(COC(=O)c1nccc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000064734619 773664255 /nfs/dbraw/zinc/66/42/55/773664255.db2.gz HMHYOKWGBSCPSI-UHFFFAOYSA-N -1 1 334.331 2.348 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980434752 774635251 /nfs/dbraw/zinc/63/52/51/774635251.db2.gz IRLSFNONDQTRPD-AJNGGQMLSA-N -1 1 345.443 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000938921969 774984531 /nfs/dbraw/zinc/98/45/31/774984531.db2.gz UIGINVPGDHTMOH-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC000938930948 774998562 /nfs/dbraw/zinc/99/85/62/774998562.db2.gz VZFPJDVBDJJPLU-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)CC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)CC1 ZINC001063278894 790562584 /nfs/dbraw/zinc/56/25/84/790562584.db2.gz CXVOTOJRKMAGOR-UHFFFAOYSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000940138357 778165172 /nfs/dbraw/zinc/16/51/72/778165172.db2.gz FDXZKKIDZYKELA-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM COCc1noc([C@@H](C)SCCC[N-]C(=O)C(F)(F)F)n1 ZINC000182133681 778420041 /nfs/dbraw/zinc/42/00/41/778420041.db2.gz WDRFDURYYPGUPI-SSDOTTSWSA-N -1 1 327.328 2.079 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832957 779378478 /nfs/dbraw/zinc/37/84/78/779378478.db2.gz RRMBLUZGDKNRNV-HUUCEWRRSA-N -1 1 345.443 2.288 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000941128520 779966628 /nfs/dbraw/zinc/96/66/28/779966628.db2.gz GXMMWIHZFTYTLV-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(CC)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936967190 780617550 /nfs/dbraw/zinc/61/75/50/780617550.db2.gz KAAGAMJASWXNAH-KBPBESRZSA-N -1 1 345.443 2.429 20 0 EEADMM CS[C@H]1CC[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000080848158 780908008 /nfs/dbraw/zinc/90/80/08/780908008.db2.gz WBIDJSLXUMOUGT-OLZOCXBDSA-N -1 1 348.472 2.385 20 0 EEADMM NC(=S)c1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937291 781009433 /nfs/dbraw/zinc/00/94/33/781009433.db2.gz BIDQVQVNXQUDTM-UHFFFAOYSA-N -1 1 348.364 2.406 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(N)ccc2F)c1 ZINC001211841544 781205231 /nfs/dbraw/zinc/20/52/31/781205231.db2.gz IGXCWHQAIUDXAB-UHFFFAOYSA-N -1 1 325.321 2.124 20 0 EEADMM CCOC(=O)Cc1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001212518612 783410657 /nfs/dbraw/zinc/41/06/57/783410657.db2.gz PROMOGFTXPUQHC-UHFFFAOYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@H](C)O1 ZINC000816838537 784279058 /nfs/dbraw/zinc/27/90/58/784279058.db2.gz DZDNCSWTSVXDBS-TXEJJXNPSA-N -1 1 349.456 2.346 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2cn(C)nc2C2CCCC2)o1 ZINC000907126024 784398479 /nfs/dbraw/zinc/39/84/79/784398479.db2.gz AQISNYMWTLFFFF-UHFFFAOYSA-N -1 1 338.433 2.107 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC000945611854 784502763 /nfs/dbraw/zinc/50/27/63/784502763.db2.gz XKFGHSARRCQYGT-JTMKOSTRSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H](CN(C)C(=O)c1cc2c(cncc2Cl)s1)c1nn[n-]n1 ZINC000907350614 784556444 /nfs/dbraw/zinc/55/64/44/784556444.db2.gz SUTNJBVSEGGYQV-SSDOTTSWSA-N -1 1 336.808 2.339 20 0 EEADMM O=C(c1ccc(-c2ccco2)s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472327 784640823 /nfs/dbraw/zinc/64/08/23/784640823.db2.gz BIFQNLAFEFMWSP-VIFPVBQESA-N -1 1 347.425 2.452 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907477258 784647293 /nfs/dbraw/zinc/64/72/93/784647293.db2.gz UNQTWPBYCICRBL-BXUZGUMPSA-N -1 1 331.445 2.182 20 0 EEADMM CCCOCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493087 784794972 /nfs/dbraw/zinc/79/49/72/784794972.db2.gz RFQMNLBFDMNFAG-GFCCVEGCSA-N -1 1 344.333 2.049 20 0 EEADMM CC1(CC(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000945991141 785242119 /nfs/dbraw/zinc/24/21/19/785242119.db2.gz GGLOXGNQQAESQZ-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(CC(C)=O)C(=O)c1ccc(I)c([O-])c1 ZINC000908390087 785378772 /nfs/dbraw/zinc/37/87/72/785378772.db2.gz YZJGMNIDLRMUFS-UHFFFAOYSA-N -1 1 347.152 2.048 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(c3ccc(F)cc3)CCC2)C1 ZINC000908761863 785707779 /nfs/dbraw/zinc/70/77/79/785707779.db2.gz YUQOLPMZCPPFHJ-CYBMUJFWSA-N -1 1 334.391 2.118 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000908896480 785841376 /nfs/dbraw/zinc/84/13/76/785841376.db2.gz QPZWJWWJIXZNFT-XFBWCDHKSA-N -1 1 339.395 2.114 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@H](CC2CC2)C(=O)[O-])N2CCCC2)o1 ZINC000908924930 785873632 /nfs/dbraw/zinc/87/36/32/785873632.db2.gz JTEHGNXECSZPGC-HUUCEWRRSA-N -1 1 349.431 2.277 20 0 EEADMM C[C@@H](CCNC(=O)C1CCC2(CC2)CC1)NC(=O)c1ncccc1[O-] ZINC001077430961 785924881 /nfs/dbraw/zinc/92/48/81/785924881.db2.gz HTZDZCWBHMPRBK-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM 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ZINC001064229222 792714319 /nfs/dbraw/zinc/71/43/19/792714319.db2.gz OGVCNDMUWJBUJL-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CSCC[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])C(N)=O ZINC001148872567 792759735 /nfs/dbraw/zinc/75/97/35/792759735.db2.gz KSEHKEAIKCBWRM-HNNXBMFYSA-N -1 1 344.436 2.396 20 0 EEADMM O=C(Nc1cc(O)cc(Cl)c1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926865 792814018 /nfs/dbraw/zinc/81/40/18/792814018.db2.gz YYHCVZOLTXHXRM-UHFFFAOYSA-N -1 1 343.744 2.250 20 0 EEADMM O=C(Nc1ccc2oncc2c1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926147 792815301 /nfs/dbraw/zinc/81/53/01/792815301.db2.gz GNKZFQSLVZDRFS-UHFFFAOYSA-N -1 1 334.309 2.032 20 0 EEADMM CC(C)(C)C(=O)CNC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148990186 792848965 /nfs/dbraw/zinc/84/89/65/792848965.db2.gz PUMNUABVHYDWLR-UHFFFAOYSA-N -1 1 330.178 2.205 20 0 EEADMM C[C@H]1C[C@@H](Nc2cccc(F)n2)CCN1C(=O)c1ncccc1[O-] ZINC001064766028 793693001 /nfs/dbraw/zinc/69/30/01/793693001.db2.gz NNQVHNULISXVOI-RYUDHWBXSA-N -1 1 330.363 2.427 20 0 EEADMM C[C@H]1C[C@H](Nc2ncc(Cl)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001064766870 793694994 /nfs/dbraw/zinc/69/49/94/793694994.db2.gz SHKDNHJLORKOLF-CMPLNLGQSA-N -1 1 347.806 2.336 20 0 EEADMM COCc1c2ccccc2oc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742646 794202279 /nfs/dbraw/zinc/20/22/79/794202279.db2.gz NRAXRGONMHXHKE-UHFFFAOYSA-N -1 1 341.371 2.112 20 0 EEADMM CC(C)(C)c1ncc(C=CC(=O)N2CCC(c3nn[n-]n3)CC2)s1 ZINC000913743661 794206703 /nfs/dbraw/zinc/20/67/03/794206703.db2.gz FUMNOEQLCCDGRF-SNAWJCMRSA-N -1 1 346.460 2.373 20 0 EEADMM O=C(CC[C@H]1CCc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913747031 794223997 /nfs/dbraw/zinc/22/39/97/794223997.db2.gz OPJZCFYJQJTDFS-CQSZACIVSA-N -1 1 325.416 2.416 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946538736 795672323 /nfs/dbraw/zinc/67/23/23/795672323.db2.gz OSNOJLKQHZCPQU-UKRRQHHQSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H](CCNC(=O)c1cccc(F)c1F)NC(=O)c1ncccc1[O-] ZINC001078082731 795880408 /nfs/dbraw/zinc/88/04/08/795880408.db2.gz VDRGGFYIZLFVNO-JTQLQIEISA-N -1 1 349.337 2.004 20 0 EEADMM CCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001078106154 795927753 /nfs/dbraw/zinc/92/77/53/795927753.db2.gz JHMHRDHZCKBPFL-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM Cc1nc(C)c(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)o1 ZINC000993235820 796154606 /nfs/dbraw/zinc/15/46/06/796154606.db2.gz AAFZGODSUBYJNG-OCCSQVGLSA-N -1 1 344.415 2.175 20 0 EEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCCCO)cc1 ZINC000785509582 806503362 /nfs/dbraw/zinc/50/33/62/806503362.db2.gz GEKOKQYTQMKVFB-UHFFFAOYSA-N -1 1 349.408 2.335 20 0 EEADMM Cc1ccoc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002157217 797640349 /nfs/dbraw/zinc/64/03/49/797640349.db2.gz MYNKJXYFQGPQCB-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001002189882 797672334 /nfs/dbraw/zinc/67/23/34/797672334.db2.gz WNIXMBNAMRBJCX-UPJWGTAASA-N -1 1 331.416 2.085 20 0 EEADMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2N)cc1 ZINC001174078669 797693515 /nfs/dbraw/zinc/69/35/15/797693515.db2.gz ILEABMKFMMVPNY-UHFFFAOYSA-N -1 1 347.440 2.455 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc(F)c1F ZINC001174584813 797796119 /nfs/dbraw/zinc/79/61/19/797796119.db2.gz HJELWFBFQUMSGV-UHFFFAOYSA-N -1 1 330.312 2.062 20 0 EEADMM CCC[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000780691075 797902280 /nfs/dbraw/zinc/90/22/80/797902280.db2.gz BGNGDMCZHDBZJL-CZUORRHYSA-N -1 1 348.447 2.160 20 0 EEADMM Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001061076465 797956106 /nfs/dbraw/zinc/95/61/06/797956106.db2.gz PXEOARDLJRGZGG-CHWSQXEVSA-N -1 1 327.388 2.039 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002362647 797967507 /nfs/dbraw/zinc/96/75/07/797967507.db2.gz AAEUQVNZDXFJDL-LBPRGKRZSA-N -1 1 335.379 2.114 20 0 EEADMM CCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)cc1F ZINC001175068764 797968445 /nfs/dbraw/zinc/96/84/45/797968445.db2.gz CLPWTLRBOQXVLI-UHFFFAOYSA-N -1 1 325.365 2.190 20 0 EEADMM O=C(CCCC(=O)c1ccccc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001168695016 798037112 /nfs/dbraw/zinc/03/71/12/798037112.db2.gz PTXJMJOMUIYDFB-SFHVURJKSA-N -1 1 349.394 2.459 20 0 EEADMM CN1CCN(Cc2ccccc2Nc2cncc(C(=O)[O-])c2)CC1 ZINC001175841608 798245527 /nfs/dbraw/zinc/24/55/27/798245527.db2.gz NNCWJIHWGHPVGP-UHFFFAOYSA-N -1 1 326.400 2.271 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)C1(C2CC2)CC1)C(=O)c1ncccc1[O-] ZINC001002611633 798336079 /nfs/dbraw/zinc/33/60/79/798336079.db2.gz MJVWSXXUKQSQMC-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM CCOC(=O)c1nnsc1[N-]c1cnc(N2CCCCC2)nc1 ZINC001176504593 798477187 /nfs/dbraw/zinc/47/71/87/798477187.db2.gz FSPRQBPATAJEAA-UHFFFAOYSA-N -1 1 334.405 2.239 20 0 EEADMM Cc1sc(NC(=O)Cc2nn[n-]n2)c(C(=O)c2ccccc2)c1C ZINC001176838140 798596358 /nfs/dbraw/zinc/59/63/58/798596358.db2.gz QJUOJLQOYYJTCP-UHFFFAOYSA-N -1 1 341.396 2.290 20 0 EEADMM Cc1cnc(C)nc1NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065413957 799026227 /nfs/dbraw/zinc/02/62/27/799026227.db2.gz RBJFSWNHJNXBJQ-SFHVURJKSA-N -1 1 341.415 2.158 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2ccnc(C(F)(F)F)c2)n1 ZINC001177563639 799026842 /nfs/dbraw/zinc/02/68/42/799026842.db2.gz OFQSBMQNCSITAL-UHFFFAOYSA-N -1 1 342.277 2.181 20 0 EEADMM CC[C@@H](C)CCCCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001178785463 799620415 /nfs/dbraw/zinc/62/04/15/799620415.db2.gz NVWYOCQBOBEGGV-RDBSUJKOSA-N -1 1 337.468 2.196 20 0 EEADMM C/C(=C\C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001065926572 799756014 /nfs/dbraw/zinc/75/60/14/799756014.db2.gz ZOXZRCXSEOXZLP-RDRICISKSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1C[C@H]1CC(=O)NC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001003559907 799824676 /nfs/dbraw/zinc/82/46/76/799824676.db2.gz UCLUKYJVHYBRBD-JSGCOSHPSA-N -1 1 344.459 2.186 20 0 EEADMM CC/C(C)=C/C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079366 799975843 /nfs/dbraw/zinc/97/58/43/799975843.db2.gz XWORJEXLYJDRDK-FNDVETGQSA-N -1 1 331.416 2.254 20 0 EEADMM CN(C[C@@H]1CCN1Cc1ccc(F)cc1F)C(=O)c1ncccc1[O-] ZINC001085562306 800788906 /nfs/dbraw/zinc/78/89/06/800788906.db2.gz IINSZDLOKVURMD-AWEZNQCLSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1cc(F)cc(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001181641907 800847388 /nfs/dbraw/zinc/84/73/88/800847388.db2.gz ICMBMDAKQRXNRD-UHFFFAOYSA-N -1 1 333.323 2.275 20 0 EEADMM CSc1nc(NC(=O)[C@@H]2CCN2Cc2ccccc2)cc(=O)[n-]1 ZINC001183747190 801734269 /nfs/dbraw/zinc/73/42/69/801734269.db2.gz HPOSQFDJRXJVFR-LBPRGKRZSA-N -1 1 330.413 2.117 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1CCCCC1 ZINC001004410310 801973919 /nfs/dbraw/zinc/97/39/19/801973919.db2.gz CZPBCAUEQKAFCL-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCOC(=O)c1cc(NC(=O)[C@@H](C)[C@@H](Cc2ccccc2)OC)n[nH]1 ZINC001184350420 801997062 /nfs/dbraw/zinc/99/70/62/801997062.db2.gz WIBUFKRPYFOZQH-SWLSCSKDSA-N -1 1 345.399 2.419 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004752220 802775646 /nfs/dbraw/zinc/77/56/46/802775646.db2.gz PMZFQQZGNAPRMB-HIFRSBDPSA-N -1 1 339.395 2.068 20 0 EEADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004763000 802820387 /nfs/dbraw/zinc/82/03/87/802820387.db2.gz XYKGFUCRZHOEEK-STQMWFEESA-N -1 1 349.406 2.036 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@H](C)NCc2nccs2)c1[O-] ZINC001004807700 802957008 /nfs/dbraw/zinc/95/70/08/802957008.db2.gz IGJXNTYBEOTYQP-JQWIXIFHSA-N -1 1 349.460 2.053 20 0 EEADMM Cc1cc2c(ncnc2NC[C@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001108323630 803314336 /nfs/dbraw/zinc/31/43/36/803314336.db2.gz UXXVNVHEXVMGPZ-VIFPVBQESA-N -1 1 343.412 2.331 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2cccs2)sn1 ZINC000867000361 803884255 /nfs/dbraw/zinc/88/42/55/803884255.db2.gz HMIMEXWNYPWDBP-NXEZZACHSA-N -1 1 332.472 2.304 20 0 EEADMM Cc1cc(NCCCN(C)C(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001109436998 805463666 /nfs/dbraw/zinc/46/36/66/805463666.db2.gz UDXHNZGHIBMARI-UHFFFAOYSA-N -1 1 341.415 2.337 20 0 EEADMM CCc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001112982749 807785950 /nfs/dbraw/zinc/78/59/50/807785950.db2.gz BDONNFFATTXJJV-WDEREUQCSA-N -1 1 329.404 2.067 20 0 EEADMM COc1cccc([C@@H](C)CCCC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000789049271 807834962 /nfs/dbraw/zinc/83/49/62/807834962.db2.gz VCDOOGJEUPPRGN-LBPRGKRZSA-N -1 1 333.388 2.134 20 0 EEADMM COC(=O)c1cc(F)cc([N-]C(=O)c2cncc(Cl)n2)c1F ZINC000791049122 809050450 /nfs/dbraw/zinc/05/04/50/809050450.db2.gz FUALBGSGPPUXRN-UHFFFAOYSA-N -1 1 327.674 2.447 20 0 EEADMM Cc1nc(C(F)(F)F)ccc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791164459 809097916 /nfs/dbraw/zinc/09/79/16/809097916.db2.gz KABZYLYHDBHHTK-UHFFFAOYSA-N -1 1 335.289 2.316 20 0 EEADMM COc1cccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1OC(F)F ZINC000791284770 809171798 /nfs/dbraw/zinc/17/17/98/809171798.db2.gz DWICNQSMDRMJQG-UHFFFAOYSA-N -1 1 348.309 2.204 20 0 EEADMM Cc1ccnc(COC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000791340305 809186506 /nfs/dbraw/zinc/18/65/06/809186506.db2.gz ZOSIJMLPJWIJMC-UHFFFAOYSA-N -1 1 326.399 2.180 20 0 EEADMM Cc1c(NC(=O)C(C)(C)C)ccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170226307 809844601 /nfs/dbraw/zinc/84/46/01/809844601.db2.gz GPUVZBZUBVJOIO-UHFFFAOYSA-N -1 1 341.375 2.490 20 0 EEADMM CC1(C)CCCN(c2ccnc(Nc3[n-]c(=O)nc4nc[nH]c43)n2)C1 ZINC001170227496 809845640 /nfs/dbraw/zinc/84/56/40/809845640.db2.gz PJRKJHORECRWGC-UHFFFAOYSA-N -1 1 340.391 2.219 20 0 EEADMM O=C(NOCC(F)F)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000793170493 810169963 /nfs/dbraw/zinc/16/99/63/810169963.db2.gz YRARGGJAUXKPGR-UHFFFAOYSA-N -1 1 328.315 2.193 20 0 EEADMM CCCc1ccc(N2C[C@@H](C(=O)[N-]OCCSC)CC2=O)cc1 ZINC000794190301 810706603 /nfs/dbraw/zinc/70/66/03/810706603.db2.gz VMAWKZWPPXZYTJ-AWEZNQCLSA-N -1 1 336.457 2.403 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1ccn(C)c1 ZINC000806020814 811710277 /nfs/dbraw/zinc/71/02/77/811710277.db2.gz WZKWUTSBWIZXJG-UHFFFAOYSA-N -1 1 338.367 2.291 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CSc4ccccc43)ccnc1-2 ZINC000806491430 811879324 /nfs/dbraw/zinc/87/93/24/811879324.db2.gz ZDBCKSHKUXSEAL-CYBMUJFWSA-N -1 1 325.397 2.310 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806493111 811882762 /nfs/dbraw/zinc/88/27/62/811882762.db2.gz UCHILIDBHALWBY-LLVKDONJSA-N -1 1 325.372 2.233 20 0 EEADMM CCN1CCN(c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2F)CC1 ZINC000902547455 939287050 /nfs/dbraw/zinc/28/70/50/939287050.db2.gz QNEPLOWBRZCKGQ-INIZCTEOSA-N -1 1 349.406 2.017 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001601628777 971034262 /nfs/dbraw/zinc/03/42/62/971034262.db2.gz OAWKHSHJQSQJIJ-WDEREUQCSA-N -1 1 337.339 2.069 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000324762843 971155091 /nfs/dbraw/zinc/15/50/91/971155091.db2.gz ZLIOEJVCGCVJPV-CQSZACIVSA-N -1 1 333.432 2.053 20 0 EEADMM Brc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573280327 946659752 /nfs/dbraw/zinc/65/97/52/946659752.db2.gz STRGGSQGRFCBQF-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573280327 946659760 /nfs/dbraw/zinc/65/97/60/946659760.db2.gz STRGGSQGRFCBQF-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001573546676 946815832 /nfs/dbraw/zinc/81/58/32/946815832.db2.gz LLOUOKBKJKNLCP-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573546676 946815844 /nfs/dbraw/zinc/81/58/44/946815844.db2.gz LLOUOKBKJKNLCP-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(=O)Nc1ccc(OCc2ccc(-c3nnn[n-]3)o2)c(F)c1F ZINC001573547232 946829593 /nfs/dbraw/zinc/82/95/93/946829593.db2.gz YEGVJSNKJHSXJD-UHFFFAOYSA-N -1 1 335.270 2.275 20 0 EEADMM CC(=O)Nc1ccc(OCc2ccc(-c3nn[n-]n3)o2)c(F)c1F ZINC001573547232 946829608 /nfs/dbraw/zinc/82/96/08/946829608.db2.gz YEGVJSNKJHSXJD-UHFFFAOYSA-N -1 1 335.270 2.275 20 0 EEADMM COc1cccc2c1CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC000826217758 947639737 /nfs/dbraw/zinc/63/97/37/947639737.db2.gz AZASUSMNRJEEJM-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1cccc2c1CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC000826217758 947639740 /nfs/dbraw/zinc/63/97/40/947639740.db2.gz AZASUSMNRJEEJM-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM Cc1onc(CC(=O)Nc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC000826263933 947762013 /nfs/dbraw/zinc/76/20/13/947762013.db2.gz WIJKWVIWMWXTPI-UHFFFAOYSA-N -1 1 326.360 2.270 20 0 EEADMM Cc1onc(CC(=O)Nc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000826263933 947762022 /nfs/dbraw/zinc/76/20/22/947762022.db2.gz WIJKWVIWMWXTPI-UHFFFAOYSA-N -1 1 326.360 2.270 20 0 EEADMM Cc1onc(CC(=O)NCc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826348149 948067733 /nfs/dbraw/zinc/06/77/33/948067733.db2.gz XFSAGWXLOLBQPK-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Cc1onc(CC(=O)NCc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826348149 948067742 /nfs/dbraw/zinc/06/77/42/948067742.db2.gz XFSAGWXLOLBQPK-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Clc1nsc(N2CC[C@H](Cc3ccncc3)C2)c1-c1nnn[n-]1 ZINC000826353738 948104231 /nfs/dbraw/zinc/10/42/31/948104231.db2.gz 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CCc1ccsc1C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001535223089 1123535530 /nfs/dbraw/zinc/53/55/30/1123535530.db2.gz GNFYQOWZMMVTSA-UHFFFAOYSA-N -1 1 345.424 2.104 20 0 EEADMM Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)c3nn[n-]n3)c2c1 ZINC001539041261 1124044182 /nfs/dbraw/zinc/04/41/82/1124044182.db2.gz QQXHJBLJRSDAQP-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM O=C(C1CC(F)C1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001550873494 1124152550 /nfs/dbraw/zinc/15/25/50/1124152550.db2.gz NNTRZHJJQMPIBD-UHFFFAOYSA-N -1 1 326.799 2.438 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3cn(-c4ccc(Cl)cc4)nn3)CC[C@@H]21 ZINC001550916701 1124175084 /nfs/dbraw/zinc/17/50/84/1124175084.db2.gz PWACNDWFTXLWQM-RRFJBIMHSA-N -1 1 332.791 2.073 20 0 EEADMM C[C@H](C(=O)Nc1cc(F)ccc1F)N1C[C@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001550935536 1124184618 /nfs/dbraw/zinc/18/46/18/1124184618.db2.gz LPJMYEIVDHOEPF-ICCXJUOJSA-N -1 1 338.354 2.334 20 0 EEADMM C[C@H](C(=O)Nc1ccc(F)cc1F)N1C[C@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001550936152 1124186269 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O=C(N1CCC(c2n[nH]c(=O)o2)CC1)C1(Oc2ccccc2F)CC1 ZINC000425329073 241127503 /nfs/dbraw/zinc/12/75/03/241127503.db2.gz YYXOXICPCILSBE-UHFFFAOYSA-N -1 1 347.346 2.232 20 0 EEADMM O=C(N1CCC(c2n[n-]c(=O)o2)CC1)C1(Oc2ccccc2F)CC1 ZINC000425329073 241127510 /nfs/dbraw/zinc/12/75/10/241127510.db2.gz YYXOXICPCILSBE-UHFFFAOYSA-N -1 1 347.346 2.232 20 0 EEADMM O=C(N[C@@H]1CC[S@](=O)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427237438 241398378 /nfs/dbraw/zinc/39/83/78/241398378.db2.gz DLBCUQSCSBBPTI-GLEHDBDLSA-N -1 1 329.834 2.042 20 0 EEADMM CCC[C@](C)(O)C[N-]S(=O)(=O)c1sccc1Br ZINC000228559501 242140340 /nfs/dbraw/zinc/14/03/40/242140340.db2.gz DEWDPDPSZUAFEG-JTQLQIEISA-N -1 1 342.280 2.340 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000228545066 242141847 /nfs/dbraw/zinc/14/18/47/242141847.db2.gz VIRAJQZINKZTEJ-SSDOTTSWSA-N -1 1 338.134 2.195 20 0 EEADMM CCOc1cc(C(=O)N[C@@]2(CCOC)CCOC2)cc(Cl)c1[O-] ZINC000446586663 242203262 /nfs/dbraw/zinc/20/32/62/242203262.db2.gz 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EEADMM COc1ccccc1N1CC[C@H](N2CCC[C@H](CCC(=O)[O-])C2)C1=O ZINC000263105116 152375739 /nfs/dbraw/zinc/37/57/39/152375739.db2.gz KLHKDIRFRQZXAM-ZBFHGGJFSA-N -1 1 346.427 2.377 20 0 EEADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC000355833644 153160043 /nfs/dbraw/zinc/16/00/43/153160043.db2.gz RDODKAWYFBYGOU-UHFFFAOYSA-N -1 1 328.353 2.195 20 0 EEADMM CS(=O)(=O)Cc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000128332382 292340564 /nfs/dbraw/zinc/34/05/64/292340564.db2.gz QWNOHTZTTLZRPB-UHFFFAOYSA-N -1 1 337.372 2.006 20 0 EEADMM Cc1ccccc1CNC(=O)[C@H](C)S(=O)(=O)c1ccc([O-])cc1 ZINC000069163555 159026371 /nfs/dbraw/zinc/02/63/71/159026371.db2.gz DUVDMRNJFDPDLY-ZDUSSCGKSA-N -1 1 333.409 2.179 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(F)c2)co1 ZINC000120183991 159388535 /nfs/dbraw/zinc/38/85/35/159388535.db2.gz WSHXANLJHBOWBN-UHFFFAOYSA-N -1 1 332.740 2.233 20 0 EEADMM CCOc1cc(C(=O)N(C)C[C@@H](O)C(F)(F)F)cc(Cl)c1[O-] ZINC000186985928 160089310 /nfs/dbraw/zinc/08/93/10/160089310.db2.gz 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C[C@H]1CCCC[C@@H]1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733569985 577245594 /nfs/dbraw/zinc/24/55/94/577245594.db2.gz JBJWSCUZQPTCFL-ZFWWWQNUSA-N -1 1 333.384 2.082 20 0 EEADMM C[C@@H](CCc1ccccc1F)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773164006 577320015 /nfs/dbraw/zinc/32/00/15/577320015.db2.gz VUIPQUVQUHEQHU-SMDDNHRTSA-N -1 1 349.435 2.224 20 0 EEADMM O=C(COC(=O)c1ccc([O-])cc1F)N[C@@H]1CCOc2ccccc21 ZINC000773567939 577351936 /nfs/dbraw/zinc/35/19/36/577351936.db2.gz BKBACWHMWXTXCZ-OAHLLOKOSA-N -1 1 345.326 2.328 20 0 EEADMM CCO[C@@H]1C[C@H]1COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000774325247 577395297 /nfs/dbraw/zinc/39/52/97/577395297.db2.gz VTJPRTSVTQGKSF-CMPLNLGQSA-N -1 1 326.418 2.113 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774903610 577422671 /nfs/dbraw/zinc/42/26/71/577422671.db2.gz WPLZJJRXPPZORK-LLVKDONJSA-N -1 1 333.306 2.374 20 0 EEADMM O=C(CCOc1cccc(F)c1)OCCC[N-]C(=O)C(F)(F)F ZINC000774912869 577423017 /nfs/dbraw/zinc/42/30/17/577423017.db2.gz GHTYKGOQGXETAF-UHFFFAOYSA-N -1 1 337.269 2.206 20 0 EEADMM Cc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[n-]c(=O)c1C ZINC000776867195 577469050 /nfs/dbraw/zinc/46/90/50/577469050.db2.gz GKHWSVDLTJKAIZ-UHFFFAOYSA-N -1 1 345.384 2.112 20 0 EEADMM COc1cc(F)c([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1F ZINC000765098361 577494872 /nfs/dbraw/zinc/49/48/72/577494872.db2.gz IDTZDZXWRHJSTK-UHFFFAOYSA-N -1 1 337.735 2.161 20 0 EEADMM Cn1[n-]c(COC(=O)c2ccc(-c3ccc(F)cc3)s2)nc1=O ZINC000765418438 577500634 /nfs/dbraw/zinc/50/06/34/577500634.db2.gz GEDLBRAJAFFUJY-UHFFFAOYSA-N -1 1 333.344 2.333 20 0 EEADMM COc1cc(-c2ccccc2)sc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765461686 577501380 /nfs/dbraw/zinc/50/13/80/577501380.db2.gz LQPKFKXMFGHGQY-UHFFFAOYSA-N -1 1 345.380 2.203 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000766579981 577521806 /nfs/dbraw/zinc/52/18/06/577521806.db2.gz JAORHGQELYQCNO-UHFFFAOYSA-N -1 1 335.381 2.405 20 0 EEADMM COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(OC)cc3[O-])cc21 ZINC000769668330 577582086 /nfs/dbraw/zinc/58/20/86/577582086.db2.gz PRCRFHKSCIAEDR-UHFFFAOYSA-N -1 1 341.323 2.316 20 0 EEADMM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1c([O-])cccc1Cl ZINC000769744166 577583329 /nfs/dbraw/zinc/58/33/29/577583329.db2.gz SUEFCNKZRLPPDH-NSHDSACASA-N -1 1 342.848 2.333 20 0 EEADMM Cn1ncc2c1nc(Oc1ccc(Br)c(C=O)c1)[n-]c2=O ZINC000771244833 577612482 /nfs/dbraw/zinc/61/24/82/577612482.db2.gz QJVPRMJAVITVLI-UHFFFAOYSA-N -1 1 349.144 2.436 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C)o1 ZINC000760324172 577660747 /nfs/dbraw/zinc/66/07/47/577660747.db2.gz WDEOAILROHMROY-UHFFFAOYSA-N -1 1 339.373 2.166 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@@H]1CCCOC1 ZINC000760748727 577669084 /nfs/dbraw/zinc/66/90/84/577669084.db2.gz DXFVRJVJZKZTFA-CYBMUJFWSA-N -1 1 341.429 2.422 20 0 EEADMM Cc1nnc([C@H]2CCCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)C2)[nH]1 ZINC000761065621 577675363 /nfs/dbraw/zinc/67/53/63/577675363.db2.gz XWVOBPZJOAYASJ-LBPRGKRZSA-N -1 1 344.419 2.060 20 0 EEADMM O=C([N-][C@@H]1CCCN(Cc2ccccc2)C1=O)C(F)(F)C(F)F ZINC000761941006 577692027 /nfs/dbraw/zinc/69/20/27/577692027.db2.gz PQDNYGOHLWXNPT-LLVKDONJSA-N -1 1 332.297 2.194 20 0 EEADMM CC1=C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C(=O)OC1(C)C ZINC000763226585 577717221 /nfs/dbraw/zinc/71/72/21/577717221.db2.gz ZQLLQACXCQASPY-UHFFFAOYSA-N -1 1 327.340 2.373 20 0 EEADMM O=C(NCc1nc(C2CC2)no1)c1ccc(Br)c([O-])c1 ZINC000764026055 577730051 /nfs/dbraw/zinc/73/00/51/577730051.db2.gz LKHQQWARYJPDAJ-UHFFFAOYSA-N -1 1 338.161 2.345 20 0 EEADMM CCc1noc(C)c1COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000758000763 577868018 /nfs/dbraw/zinc/86/80/18/577868018.db2.gz SFHJGUAQZXVMON-UHFFFAOYSA-N -1 1 344.414 2.335 20 0 EEADMM CCCCOC(=O)[C@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000744794742 577903162 /nfs/dbraw/zinc/90/31/62/577903162.db2.gz AWKNMUGOLOAFIZ-VIFPVBQESA-N -1 1 349.430 2.008 20 0 EEADMM CCCCCNC(=O)COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000749107760 577971167 /nfs/dbraw/zinc/97/11/67/577971167.db2.gz UWZJNULJBGJJHZ-UHFFFAOYSA-N -1 1 331.372 2.041 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C(=O)[O-])C3)[nH]c2c1 ZINC000738667153 578023265 /nfs/dbraw/zinc/02/32/65/578023265.db2.gz DNQSYFDSBLGLGO-UPJWGTAASA-N -1 1 327.384 2.298 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000739515472 578056445 /nfs/dbraw/zinc/05/64/45/578056445.db2.gz IMAMKCSXDHGLAT-HZPDHXFCSA-N -1 1 338.835 2.262 20 0 EEADMM O=C([O-])Nc1cccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000740027444 578077886 /nfs/dbraw/zinc/07/78/86/578077886.db2.gz VEITVGOKCBKOAW-INIZCTEOSA-N -1 1 347.415 2.103 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000740161367 578083422 /nfs/dbraw/zinc/08/34/22/578083422.db2.gz PBTRJRKTUCUOJK-DOTOQJQBSA-N -1 1 345.399 2.075 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735710552 578164680 /nfs/dbraw/zinc/16/46/80/578164680.db2.gz VCENLOKCIDQKMA-HNNXBMFYSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735710552 578164681 /nfs/dbraw/zinc/16/46/81/578164681.db2.gz VCENLOKCIDQKMA-HNNXBMFYSA-N -1 1 336.399 2.431 20 0 EEADMM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735984752 578175976 /nfs/dbraw/zinc/17/59/76/578175976.db2.gz CMKYJRNOUKCPEF-LLVKDONJSA-N -1 1 338.371 2.424 20 0 EEADMM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735984752 578175977 /nfs/dbraw/zinc/17/59/77/578175977.db2.gz CMKYJRNOUKCPEF-LLVKDONJSA-N -1 1 338.371 2.424 20 0 EEADMM C[C@@H](COc1cccc(F)c1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736037435 578177832 /nfs/dbraw/zinc/17/78/32/578177832.db2.gz GVWZUEIXLFNGHN-JTQLQIEISA-N -1 1 343.318 2.025 20 0 EEADMM C[C@@H](COc1cccc(F)c1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736037435 578177833 /nfs/dbraw/zinc/17/78/33/578177833.db2.gz GVWZUEIXLFNGHN-JTQLQIEISA-N -1 1 343.318 2.025 20 0 EEADMM C[C@@H](N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736096786 578180917 /nfs/dbraw/zinc/18/09/17/578180917.db2.gz ODBIMNQCKIFIGW-SECBINFHSA-N -1 1 341.412 2.061 20 0 EEADMM CCCC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736412260 578202479 /nfs/dbraw/zinc/20/24/79/578202479.db2.gz SFMNPPRPFNJXRV-UHFFFAOYSA-N -1 1 343.343 2.085 20 0 EEADMM CCCC(=O)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736412260 578202480 /nfs/dbraw/zinc/20/24/80/578202480.db2.gz SFMNPPRPFNJXRV-UHFFFAOYSA-N -1 1 343.343 2.085 20 0 EEADMM CCOCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736610839 578214924 /nfs/dbraw/zinc/21/49/24/578214924.db2.gz XPEIBQOJBFBTJX-UHFFFAOYSA-N -1 1 343.412 2.248 20 0 EEADMM CCOc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000736644320 578216078 /nfs/dbraw/zinc/21/60/78/578216078.db2.gz IAIASZBRLCVNHT-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM CCOc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000736644320 578216079 /nfs/dbraw/zinc/21/60/79/578216079.db2.gz IAIASZBRLCVNHT-UHFFFAOYSA-N -1 1 326.360 2.281 20 0 EEADMM CC1(C)CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C(C)(C)CO1 ZINC000736736017 578221220 /nfs/dbraw/zinc/22/12/20/578221220.db2.gz RUWZZUPHYUDTAK-CQSZACIVSA-N -1 1 337.416 2.014 20 0 EEADMM C[C@@H](CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1)C(=O)[O-] ZINC000736788567 578223555 /nfs/dbraw/zinc/22/35/55/578223555.db2.gz FHEWOHZYISACFW-HOTGVXAUSA-N -1 1 332.444 2.468 20 0 EEADMM C[C@H]1CN(CCCNC(=O)c2cccc(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736812141 578225094 /nfs/dbraw/zinc/22/50/94/578225094.db2.gz TUVLDEZDITZTST-STQMWFEESA-N -1 1 335.404 2.006 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736878497 578228005 /nfs/dbraw/zinc/22/80/05/578228005.db2.gz MACSMPLUGWCKNF-LESCRADOSA-N -1 1 332.444 2.167 20 0 EEADMM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])C[C@@H]1CCOC1 ZINC000737068698 578236135 /nfs/dbraw/zinc/23/61/35/578236135.db2.gz BHTSZCYOYKEZKD-LBPRGKRZSA-N -1 1 340.445 2.360 20 0 EEADMM Cc1cc([C@H]2CCCN2c2c3ccccc3nnc2-c2nnn[n-]2)no1 ZINC000737263561 578246783 /nfs/dbraw/zinc/24/67/83/578246783.db2.gz MCABOTIUNZZHSL-CQSZACIVSA-N -1 1 348.370 2.448 20 0 EEADMM Cc1cc([C@H]2CCCN2c2c3ccccc3nnc2-c2nn[n-]n2)no1 ZINC000737263561 578246784 /nfs/dbraw/zinc/24/67/84/578246784.db2.gz MCABOTIUNZZHSL-CQSZACIVSA-N -1 1 348.370 2.448 20 0 EEADMM Cc1ccc(-c2ocnc2C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000737303414 578249264 /nfs/dbraw/zinc/24/92/64/578249264.db2.gz KVJJETLNOHRYKR-UHFFFAOYSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccn(C(C)C)n2)n1 ZINC000737471021 578259504 /nfs/dbraw/zinc/25/95/04/578259504.db2.gz LSULYOQKTYSGFY-UHFFFAOYSA-N -1 1 330.421 2.343 20 0 EEADMM NC(=O)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000737759222 578269182 /nfs/dbraw/zinc/26/91/82/578269182.db2.gz IUERDXDIKQXKKH-UHFFFAOYSA-N -1 1 345.366 2.126 20 0 EEADMM NC(=O)c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000737759222 578269183 /nfs/dbraw/zinc/26/91/83/578269183.db2.gz IUERDXDIKQXKKH-UHFFFAOYSA-N -1 1 345.366 2.126 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000737886302 578271935 /nfs/dbraw/zinc/27/19/35/578271935.db2.gz NMLGMACPMUHSRE-JTQLQIEISA-N -1 1 328.796 2.248 20 0 EEADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000043 578275943 /nfs/dbraw/zinc/27/59/43/578275943.db2.gz DWSDWQZDFLNCGG-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000043 578275944 /nfs/dbraw/zinc/27/59/44/578275944.db2.gz DWSDWQZDFLNCGG-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM c1cncc(-c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)c1 ZINC000823816809 599112509 /nfs/dbraw/zinc/11/25/09/599112509.db2.gz YYMOYHWCLFTRBS-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1cncc(-c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)c1 ZINC000823816809 599112512 /nfs/dbraw/zinc/11/25/12/599112512.db2.gz YYMOYHWCLFTRBS-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000819370634 597115759 /nfs/dbraw/zinc/11/57/59/597115759.db2.gz COGLBRXHGHYJPZ-VIFPVBQESA-N -1 1 342.189 2.482 20 0 EEADMM O=C([O-])CCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000586085271 597224587 /nfs/dbraw/zinc/22/45/87/597224587.db2.gz AJBYOZOYIAXQOT-UHFFFAOYSA-N -1 1 339.823 2.078 20 0 EEADMM C[C@H](C(=O)[O-])N(C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000817779382 597477556 /nfs/dbraw/zinc/47/75/56/597477556.db2.gz MLAWSJRYYCQRGL-SSDOTTSWSA-N -1 1 329.278 2.259 20 0 EEADMM O=Cc1cc(Oc2nccnc2-c2nn[n-]n2)ccc1Br ZINC000823557264 607306236 /nfs/dbraw/zinc/30/62/36/607306236.db2.gz IBQYWCPZKJNPTG-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM Cc1ccn(Cc2coc(-c3cccs3)n2)c(=O)c1-c1nn[n-]n1 ZINC000822374061 607349751 /nfs/dbraw/zinc/34/97/51/607349751.db2.gz JMBCQCGCSXYNGJ-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(O[C@@H]2CCOC2)cc1 ZINC000823762043 599445659 /nfs/dbraw/zinc/44/56/59/599445659.db2.gz GGAGQFFLAHBRNK-CQSZACIVSA-N -1 1 327.344 2.240 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(O[C@@H]2CCOC2)cc1 ZINC000823762043 599445661 /nfs/dbraw/zinc/44/56/61/599445661.db2.gz GGAGQFFLAHBRNK-CQSZACIVSA-N -1 1 327.344 2.240 20 0 EEADMM CCN(Cc1ccccc1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405312432 600305135 /nfs/dbraw/zinc/30/51/35/600305135.db2.gz FXNABONBKAUYLJ-MRXNPFEDSA-N -1 1 330.428 2.222 20 0 EEADMM COC(=O)[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000831107999 600823650 /nfs/dbraw/zinc/82/36/50/600823650.db2.gz QCEXIEBUZAFTHI-GFCCVEGCSA-N -1 1 341.791 2.302 20 0 EEADMM O=C([O-])CCN(Cc1nccn1Cc1ccccc1)C1CCOCC1 ZINC000833235777 600858199 /nfs/dbraw/zinc/85/81/99/600858199.db2.gz BZNONOFNNZZHKI-UHFFFAOYSA-N -1 1 343.427 2.387 20 0 EEADMM Cc1nc2ccc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2o1 ZINC000833004670 601128183 /nfs/dbraw/zinc/12/81/83/601128183.db2.gz SJTCZVHNLVUSEC-LLVKDONJSA-N -1 1 346.387 2.149 20 0 EEADMM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C1 ZINC000833183501 601210633 /nfs/dbraw/zinc/21/06/33/601210633.db2.gz WQIICVNQPBWHLC-HOTGVXAUSA-N -1 1 345.443 2.053 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000831527595 601540095 /nfs/dbraw/zinc/54/00/95/601540095.db2.gz XKUKSJARBPCEER-KBXCAEBGSA-N -1 1 334.416 2.459 20 0 EEADMM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000825989859 601630920 /nfs/dbraw/zinc/63/09/20/601630920.db2.gz HRMSSPHVWZICBH-KBXCAEBGSA-N -1 1 344.455 2.309 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC000832923142 601657035 /nfs/dbraw/zinc/65/70/35/601657035.db2.gz JNASIUGJYOSCLX-QEJZJMRPSA-N -1 1 349.431 2.087 20 0 EEADMM O=C([O-])c1ncn(CN2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000833345708 601798604 /nfs/dbraw/zinc/79/86/04/601798604.db2.gz ZRKICPFOOLZYTP-GOSISDBHSA-N -1 1 326.400 2.304 20 0 EEADMM C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762210 607529203 /nfs/dbraw/zinc/52/92/03/607529203.db2.gz FFRJMRJPJVFIIB-SDWAUSNYSA-N -1 1 331.376 2.411 20 0 EEADMM C[C@@H](c1ccc(F)cc1)[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762210 607529204 /nfs/dbraw/zinc/52/92/04/607529204.db2.gz FFRJMRJPJVFIIB-SDWAUSNYSA-N -1 1 331.376 2.411 20 0 EEADMM CN(C(=O)CN1CC[C@](C)(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000830477706 601950877 /nfs/dbraw/zinc/95/08/77/601950877.db2.gz CABYUCNXBSUIHL-INIZCTEOSA-N -1 1 333.413 2.056 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826265369 607573753 /nfs/dbraw/zinc/57/37/53/607573753.db2.gz WPOFXHJZRMUBKP-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826265369 607573754 /nfs/dbraw/zinc/57/37/54/607573754.db2.gz WPOFXHJZRMUBKP-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000832917572 604498133 /nfs/dbraw/zinc/49/81/33/604498133.db2.gz YYGFPMDQLUVNEA-HNAYVOBHSA-N -1 1 346.427 2.259 20 0 EEADMM Cc1cc(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)n[nH]1 ZINC000832882600 604923664 /nfs/dbraw/zinc/92/36/64/604923664.db2.gz JWZANZQCXRANCD-UHFFFAOYSA-N -1 1 338.751 2.157 20 0 EEADMM O=C([O-])[C@H](NCc1ccccc1CN1CCCC1=O)c1cccnc1 ZINC000833169781 604991639 /nfs/dbraw/zinc/99/16/39/604991639.db2.gz KMLJIYAUZOUDRT-GOSISDBHSA-N -1 1 339.395 2.120 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1nccnc1-c1nnn[n-]1 ZINC000825615619 607736129 /nfs/dbraw/zinc/73/61/29/607736129.db2.gz COKCOVDWHXTOSO-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1nccnc1-c1nn[n-]n1 ZINC000825615619 607736130 /nfs/dbraw/zinc/73/61/30/607736130.db2.gz COKCOVDWHXTOSO-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@H]1C ZINC000833655293 605154938 /nfs/dbraw/zinc/15/49/38/605154938.db2.gz CJSIECQYWGRCNE-CHWSQXEVSA-N -1 1 335.404 2.096 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)O1 ZINC000833585736 605324347 /nfs/dbraw/zinc/32/43/47/605324347.db2.gz UPUYEZLERNDKFZ-QWHCGFSZSA-N -1 1 340.420 2.123 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833477370 605698615 /nfs/dbraw/zinc/69/86/15/605698615.db2.gz HJKZQAHHXWXLQZ-DOTOQJQBSA-N -1 1 348.443 2.003 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821455719 606121856 /nfs/dbraw/zinc/12/18/56/606121856.db2.gz LHZSHBWUIPYRCX-YPMHNXCESA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821455719 606121858 /nfs/dbraw/zinc/12/18/58/606121858.db2.gz LHZSHBWUIPYRCX-YPMHNXCESA-N -1 1 332.433 2.056 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C2CCCCC2)n1 ZINC000822609582 606168955 /nfs/dbraw/zinc/16/89/55/606168955.db2.gz QQMVQIONWXDZJJ-ZDUSSCGKSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C2CCCCC2)n1 ZINC000822609582 606168956 /nfs/dbraw/zinc/16/89/56/606168956.db2.gz QQMVQIONWXDZJJ-ZDUSSCGKSA-N -1 1 344.423 2.177 20 0 EEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820390771 606196121 /nfs/dbraw/zinc/19/61/21/606196121.db2.gz JRWFTCFKUIHUJM-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820641481 606279212 /nfs/dbraw/zinc/27/92/12/606279212.db2.gz CTZOCYNTQNGLLN-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820641481 606279213 /nfs/dbraw/zinc/27/92/13/606279213.db2.gz CTZOCYNTQNGLLN-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1nccnc1-c1nnn[n-]1 ZINC000823798793 606478545 /nfs/dbraw/zinc/47/85/45/606478545.db2.gz YNQAMBRGUGHDKR-GFCCVEGCSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1nccnc1-c1nn[n-]n1 ZINC000823798793 606478547 /nfs/dbraw/zinc/47/85/47/606478547.db2.gz YNQAMBRGUGHDKR-GFCCVEGCSA-N -1 1 325.401 2.099 20 0 EEADMM CCCOc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821134260 606517828 /nfs/dbraw/zinc/51/78/28/606517828.db2.gz QSNMDGXRKBUAMC-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCCOc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821134260 606517830 /nfs/dbraw/zinc/51/78/30/606517830.db2.gz QSNMDGXRKBUAMC-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM COc1ccc(Cl)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821824087 606647212 /nfs/dbraw/zinc/64/72/12/606647212.db2.gz GJWCFHZLRFSIMK-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821824087 606647213 /nfs/dbraw/zinc/64/72/13/606647213.db2.gz GJWCFHZLRFSIMK-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000823435831 606649152 /nfs/dbraw/zinc/64/91/52/606649152.db2.gz BBBIMUKAXFGECC-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000823435831 606649153 /nfs/dbraw/zinc/64/91/53/606649153.db2.gz BBBIMUKAXFGECC-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(-n2cccc2)c1 ZINC000823436318 606652451 /nfs/dbraw/zinc/65/24/51/606652451.db2.gz PRQRZRAMCUQWEY-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(-n2cccc2)c1 ZINC000823436318 606652452 /nfs/dbraw/zinc/65/24/52/606652452.db2.gz PRQRZRAMCUQWEY-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(Cc1ccc(F)c(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823083159 606698816 /nfs/dbraw/zinc/69/88/16/606698816.db2.gz ZJWKROXNFVRTEI-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cn(-c2ccccc2)nn1 ZINC000820461892 606728321 /nfs/dbraw/zinc/72/83/21/606728321.db2.gz SJCDQYRITWSRQB-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000820461892 606728324 /nfs/dbraw/zinc/72/83/24/606728324.db2.gz SJCDQYRITWSRQB-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM CCOc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)nc1 ZINC000821422045 606752366 /nfs/dbraw/zinc/75/23/66/606752366.db2.gz KTJGVDBRVNPLBL-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821361201 606941487 /nfs/dbraw/zinc/94/14/87/606941487.db2.gz UJWXAUUQZCWUMY-OLZOCXBDSA-N -1 1 347.444 2.348 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821361201 606941488 /nfs/dbraw/zinc/94/14/88/606941488.db2.gz UJWXAUUQZCWUMY-OLZOCXBDSA-N -1 1 347.444 2.348 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1OC ZINC000820957732 607036767 /nfs/dbraw/zinc/03/67/67/607036767.db2.gz PRMFSJVDAWNVKP-RYUDHWBXSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1OC ZINC000820957732 607036769 /nfs/dbraw/zinc/03/67/69/607036769.db2.gz PRMFSJVDAWNVKP-RYUDHWBXSA-N -1 1 335.433 2.252 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823379749 607110043 /nfs/dbraw/zinc/11/00/43/607110043.db2.gz GZKVRLLENHHRMU-UWVGGRQHSA-N -1 1 330.348 2.205 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823379749 607110044 /nfs/dbraw/zinc/11/00/44/607110044.db2.gz GZKVRLLENHHRMU-UWVGGRQHSA-N -1 1 330.348 2.205 20 0 EEADMM O=S(=O)(C=Cc1ccccc1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826483801 607868180 /nfs/dbraw/zinc/86/81/80/607868180.db2.gz AHYOMTMXQCXMES-KTKRTIGZSA-N -1 1 346.343 2.385 20 0 EEADMM O=S(=O)(C=Cc1ccccc1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826483801 607868181 /nfs/dbraw/zinc/86/81/81/607868181.db2.gz AHYOMTMXQCXMES-KTKRTIGZSA-N -1 1 346.343 2.385 20 0 EEADMM O=C(C=Cc1ccccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403537 607997685 /nfs/dbraw/zinc/99/76/85/607997685.db2.gz UZGKMSIHMGHEKH-VURMDHGXSA-N -1 1 325.303 2.363 20 0 EEADMM Cn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc21 ZINC000826359028 607998920 /nfs/dbraw/zinc/99/89/20/607998920.db2.gz SJPDFGYCVQPHLJ-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826472330 608334089 /nfs/dbraw/zinc/33/40/89/608334089.db2.gz HFYUCRYPAKBMDL-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826472330 608334092 /nfs/dbraw/zinc/33/40/92/608334092.db2.gz HFYUCRYPAKBMDL-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM c1ccc2c(c1)cccc2NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523787 608393037 /nfs/dbraw/zinc/39/30/37/608393037.db2.gz XUSOQBHFPBXQNW-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM c1ccc2c(c1)cccc2NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523787 608393039 /nfs/dbraw/zinc/39/30/39/608393039.db2.gz XUSOQBHFPBXQNW-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CCS2 ZINC000826375949 608394167 /nfs/dbraw/zinc/39/41/67/608394167.db2.gz IQUDROFMZMLXKF-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CCS2 ZINC000826375949 608394169 /nfs/dbraw/zinc/39/41/69/608394169.db2.gz IQUDROFMZMLXKF-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521084 608405833 /nfs/dbraw/zinc/40/58/33/608405833.db2.gz ZGYGHOLZXAVSJM-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521084 608405834 /nfs/dbraw/zinc/40/58/34/608405834.db2.gz ZGYGHOLZXAVSJM-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM Cc1csc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1 ZINC000826320379 608408584 /nfs/dbraw/zinc/40/85/84/608408584.db2.gz ONTYNVGXJJEGFK-LLVKDONJSA-N -1 1 328.405 2.153 20 0 EEADMM Cc1csc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1 ZINC000826320379 608408585 /nfs/dbraw/zinc/40/85/85/608408585.db2.gz ONTYNVGXJJEGFK-LLVKDONJSA-N -1 1 328.405 2.153 20 0 EEADMM CCS[C@H](C)c1noc(CN(C)Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC000825668166 608846912 /nfs/dbraw/zinc/84/69/12/608846912.db2.gz CHUDUMONNKCBCG-SECBINFHSA-N -1 1 349.420 2.289 20 0 EEADMM CCS[C@H](C)c1noc(CN(C)Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC000825668166 608846913 /nfs/dbraw/zinc/84/69/13/608846913.db2.gz CHUDUMONNKCBCG-SECBINFHSA-N -1 1 349.420 2.289 20 0 EEADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000824216661 609415278 /nfs/dbraw/zinc/41/52/78/609415278.db2.gz UTLNGODBQULPKZ-XHDPSFHLSA-N -1 1 345.403 2.352 20 0 EEADMM Cc1onc(CC(=O)NCC2(C)CCCCCC2)c1-c1nnn[n-]1 ZINC000826347085 609470728 /nfs/dbraw/zinc/47/07/28/609470728.db2.gz DXWORPIHVLOJPR-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM Cc1onc(CC(=O)NCC2(C)CCCCCC2)c1-c1nn[n-]n1 ZINC000826347085 609470729 /nfs/dbraw/zinc/47/07/29/609470729.db2.gz DXWORPIHVLOJPR-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC000891052542 675992343 /nfs/dbraw/zinc/99/23/43/675992343.db2.gz JBQILILOKAJIRV-ZYHUDNBSSA-N -1 1 326.190 2.310 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000050070368 676215215 /nfs/dbraw/zinc/21/52/15/676215215.db2.gz QNJMUPIWOWGECP-QMMMGPOBSA-N -1 1 345.323 2.384 20 0 EEADMM Cc1cccn2cc(CC(=O)NCc3n[n-]c(=S)n3C(C)C)nc12 ZINC000066639290 676469124 /nfs/dbraw/zinc/46/91/24/676469124.db2.gz XVYDIIAKBMXAJF-UHFFFAOYSA-N -1 1 344.444 2.337 20 0 EEADMM CCc1nc(CN(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC000971388937 676515731 /nfs/dbraw/zinc/51/57/31/676515731.db2.gz NWTVGNZBXDQBRD-ZDUSSCGKSA-N -1 1 346.456 2.153 20 0 EEADMM C[C@]1(Br)C[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614783 676721159 /nfs/dbraw/zinc/72/11/59/676721159.db2.gz NKORRPADYZQZHS-OQPBUACISA-N -1 1 326.194 2.173 20 0 EEADMM COc1ccc(OC)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891626004 676734745 /nfs/dbraw/zinc/73/47/45/676734745.db2.gz AOZYMYBKYAMTFT-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)[C@@H]2CCCO[C@@H]21 ZINC000866872961 677966655 /nfs/dbraw/zinc/96/66/55/677966655.db2.gz IAXWDTJXVWXQIV-AXTRIDKLSA-N -1 1 348.827 2.356 20 0 EEADMM Cc1csc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC000947231908 678575702 /nfs/dbraw/zinc/57/57/02/678575702.db2.gz PPNBOLYRASYXAJ-QWHCGFSZSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1csc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC000947231907 678575812 /nfs/dbraw/zinc/57/58/12/678575812.db2.gz PPNBOLYRASYXAJ-OLZOCXBDSA-N -1 1 346.456 2.335 20 0 EEADMM O=C(N[C@@H]1C=CCC1)c1ccc(I)c([O-])c1 ZINC000829342017 679072422 /nfs/dbraw/zinc/07/24/22/679072422.db2.gz GKZJGZJJNYRJRW-SECBINFHSA-N -1 1 329.137 2.445 20 0 EEADMM O=C(c1ccnc2cc(Cl)ccc21)N1CCC[C@H](c2nn[n-]n2)C1 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CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197220 682294737 /nfs/dbraw/zinc/29/47/37/682294737.db2.gz ABAWMTREYOBYCZ-QGDIXAPHSA-N -1 1 345.443 2.381 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000973199100 682296499 /nfs/dbraw/zinc/29/64/99/682296499.db2.gz OPBANUFQRUEHPH-MGPQQGTHSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1cc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)nc(C2CC2)n1 ZINC001059200885 683198810 /nfs/dbraw/zinc/19/88/10/683198810.db2.gz GUCUOMGJKFCJHA-JOCQHMNTSA-N -1 1 339.399 2.136 20 0 EEADMM Cc1cc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)nc(C(C)C)n1 ZINC001059200921 683199005 /nfs/dbraw/zinc/19/90/05/683199005.db2.gz IDXZIBPCTFFEQV-JOCQHMNTSA-N -1 1 341.415 2.382 20 0 EEADMM O=C([N-]c1nnc(C(F)F)s1)c1cnn(-c2ccc(F)cc2)n1 ZINC000152681127 683452585 /nfs/dbraw/zinc/45/25/85/683452585.db2.gz YUJAYEUNBIRGAE-UHFFFAOYSA-N -1 1 340.290 2.448 20 0 EEADMM O=C(CC1CCC1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001025897623 683602140 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CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866915970 686423783 /nfs/dbraw/zinc/42/37/83/686423783.db2.gz NQDAAWCUQWCWAG-GHMZBOCLSA-N -1 1 328.525 2.003 20 0 EEADMM CCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000975948501 687200665 /nfs/dbraw/zinc/20/06/65/687200665.db2.gz GYICZXBGEFAFOX-KBPBESRZSA-N -1 1 331.416 2.183 20 0 EEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866944541 689162604 /nfs/dbraw/zinc/16/26/04/689162604.db2.gz XIEYDYPOZVHXOR-QMMMGPOBSA-N -1 1 327.233 2.075 20 0 EEADMM COc1cc(CN2CCSC[C@@H]2CC(=O)[O-])cc(OC)c1OC ZINC000321620434 689245507 /nfs/dbraw/zinc/24/55/07/689245507.db2.gz NISJBVAYRJGLBC-LBPRGKRZSA-N -1 1 341.429 2.105 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)CC2CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000987284242 689588635 /nfs/dbraw/zinc/58/86/35/689588635.db2.gz FZSOGPZCRUGFTF-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000987777179 690024645 /nfs/dbraw/zinc/02/46/45/690024645.db2.gz OKJMVZUXTGKWPD-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM CCC1(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000937860635 691030244 /nfs/dbraw/zinc/03/02/44/691030244.db2.gz JWWGZHKNUNFYQZ-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCCC1 ZINC000938136031 691489060 /nfs/dbraw/zinc/48/90/60/691489060.db2.gz MEVQOTOVIUWKMJ-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCN1C(=O)c1ncccc1[O-] ZINC000989375382 691650392 /nfs/dbraw/zinc/65/03/92/691650392.db2.gz OHLQBLITEKPGGY-OCCSQVGLSA-N -1 1 345.443 2.333 20 0 EEADMM C[N@@H+](Cc1ccccc1F)[C@H]1CCCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001027456497 692166282 /nfs/dbraw/zinc/16/62/82/692166282.db2.gz ARFIELQITXYSPG-AWEZNQCLSA-N -1 1 344.390 2.058 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)cc1 ZINC000989865173 692390265 /nfs/dbraw/zinc/39/02/65/692390265.db2.gz ZSHIDWDWZZBXGR-HIFRSBDPSA-N -1 1 339.395 2.129 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-])C1CCCC1 ZINC000977603228 692811731 /nfs/dbraw/zinc/81/17/31/692811731.db2.gz SNIRYMAGBDGVRE-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])s1 ZINC000977604144 692812528 /nfs/dbraw/zinc/81/25/28/692812528.db2.gz VMZNXQPKTOHLPY-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])[C@H](O)C(F)(F)F ZINC000899169124 693641274 /nfs/dbraw/zinc/64/12/74/693641274.db2.gz XONVNULCWXPWJH-UHLUBPPHSA-N -1 1 329.274 2.293 20 0 EEADMM CN(CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C1CCC1 ZINC000909391887 693655652 /nfs/dbraw/zinc/65/56/52/693655652.db2.gz YLEPAGGCXIOXSG-AWEZNQCLSA-N -1 1 328.771 2.205 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000943076279 1192036675 /nfs/dbraw/zinc/03/66/75/1192036675.db2.gz YEBWGJISEDMJAD-CYBMUJFWSA-N -1 1 345.424 2.273 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000943213036 1192105628 /nfs/dbraw/zinc/10/56/28/1192105628.db2.gz KFOMLDSOXORTFF-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)C2=CCCC2)C1)c1ncccc1[O-] ZINC000943203263 1192113836 /nfs/dbraw/zinc/11/38/36/1192113836.db2.gz IGLWLEOVOMDINU-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])s1 ZINC000943832547 1192607686 /nfs/dbraw/zinc/60/76/86/1192607686.db2.gz YPBVLKLETPEQLX-GFCCVEGCSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001625892961 1180265170 /nfs/dbraw/zinc/26/51/70/1180265170.db2.gz CAMDGZFKRGPXNP-UHFFFAOYSA-N -1 1 335.266 2.071 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000944356516 1193038379 /nfs/dbraw/zinc/03/83/79/1193038379.db2.gz BLMZIEIDRVHIRI-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1csnn1 ZINC000398259515 1184940651 /nfs/dbraw/zinc/94/06/51/1184940651.db2.gz TXJMYUHCDBONDU-ZCFIWIBFSA-N -1 1 328.191 2.497 20 0 EEADMM NC(=O)c1[nH]nc2c1CN(C(=O)c1cccc(-c3ccccc3)c1[O-])C2 ZINC001271370778 1186169742 /nfs/dbraw/zinc/16/97/42/1186169742.db2.gz CRDWAYSDMWIFPU-UHFFFAOYSA-N -1 1 348.362 2.037 20 0 EEADMM CC(C)CN1CC[C@@]2(CCCN2C(=O)c2cc([O-])cc(F)c2)C1=O ZINC001271560967 1186312554 /nfs/dbraw/zinc/31/25/54/1186312554.db2.gz DKQFTINRUWOIAD-SFHVURJKSA-N -1 1 334.391 2.394 20 0 EEADMM Cc1sccc1CC(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076245006 1188807075 /nfs/dbraw/zinc/80/70/75/1188807075.db2.gz JZYHQXAXBLNHOT-NSHDSACASA-N -1 1 347.440 2.024 20 0 EEADMM CC(=O)N1CC[C@@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905728868 1189901317 /nfs/dbraw/zinc/90/13/17/1189901317.db2.gz TWCCUSCUOLPLKG-MRXNPFEDSA-N -1 1 325.368 2.367 20 0 EEADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001272387769 1190797462 /nfs/dbraw/zinc/79/74/62/1190797462.db2.gz BSVJHSKCZIAUED-INIZCTEOSA-N -1 1 342.317 2.004 20 0 EEADMM CCc1cnc(CN2CC[C@@H](N(CC)C(=O)c3ncccc3[O-])C2)o1 ZINC001033803454 1195305893 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2.437 20 0 EEADMM CC(C)(C)OCc1cc(CNCc2ccc(-c3nnn[n-]3)o2)no1 ZINC001609079565 1351832856 /nfs/dbraw/zinc/83/28/56/1351832856.db2.gz FEISCDWAQJIGFD-UHFFFAOYSA-N -1 1 332.364 2.053 20 0 EEADMM CC(C)(C)OCc1cc(CNCc2ccc(-c3nn[n-]n3)o2)no1 ZINC001609079565 1351832860 /nfs/dbraw/zinc/83/28/60/1351832860.db2.gz FEISCDWAQJIGFD-UHFFFAOYSA-N -1 1 332.364 2.053 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609087727 1351837274 /nfs/dbraw/zinc/83/72/74/1351837274.db2.gz DCDBGRIVJHPBJW-ZDUSSCGKSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609087727 1351837285 /nfs/dbraw/zinc/83/72/85/1351837285.db2.gz DCDBGRIVJHPBJW-ZDUSSCGKSA-N -1 1 327.367 2.475 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCCOCC(C)C ZINC001323023377 1333370713 /nfs/dbraw/zinc/37/07/13/1333370713.db2.gz LERFQFWTLHZZEN-UHFFFAOYSA-N -1 1 337.388 2.314 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC001609113488 1351849375 /nfs/dbraw/zinc/84/93/75/1351849375.db2.gz VGQLTXIROCRJFI-NSHDSACASA-N -1 1 341.346 2.203 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC001609113488 1351849380 /nfs/dbraw/zinc/84/93/80/1351849380.db2.gz VGQLTXIROCRJFI-NSHDSACASA-N -1 1 341.346 2.203 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609161533 1351870109 /nfs/dbraw/zinc/87/01/09/1351870109.db2.gz VQHYZGSTDJTVCR-LALPHHSUSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609161533 1351870114 /nfs/dbraw/zinc/87/01/14/1351870114.db2.gz VQHYZGSTDJTVCR-LALPHHSUSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)[C@@H]1c1cccc(F)c1 ZINC001609169327 1351874741 /nfs/dbraw/zinc/87/47/41/1351874741.db2.gz XISQRELZWVDUKY-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)[C@@H]1c1cccc(F)c1 ZINC001609169327 1351874746 /nfs/dbraw/zinc/87/47/46/1351874746.db2.gz XISQRELZWVDUKY-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM CCC(CC)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609188867 1351883333 /nfs/dbraw/zinc/88/33/33/1351883333.db2.gz CRUDHXCEIWLHQG-NSHDSACASA-N -1 1 344.341 2.490 20 0 EEADMM CCC(CC)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609188867 1351883337 /nfs/dbraw/zinc/88/33/37/1351883337.db2.gz CRUDHXCEIWLHQG-NSHDSACASA-N -1 1 344.341 2.490 20 0 EEADMM CCCOc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609216436 1351896675 /nfs/dbraw/zinc/89/66/75/1351896675.db2.gz IONCDNIPTVFENG-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCCOc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609216436 1351896681 /nfs/dbraw/zinc/89/66/81/1351896681.db2.gz IONCDNIPTVFENG-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCN(C(=O)c1ccnc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccsc1 ZINC001609220450 1351899355 /nfs/dbraw/zinc/89/93/55/1351899355.db2.gz WVKUBDRIHXNTBM-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CCN(C(=O)c1ccnc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccsc1 ZINC001609220450 1351899360 /nfs/dbraw/zinc/89/93/60/1351899360.db2.gz WVKUBDRIHXNTBM-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CCN(CCSC)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609225095 1351900940 /nfs/dbraw/zinc/90/09/40/1351900940.db2.gz UPEBGCCWLLMAQR-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CCN(CCSC)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609225095 1351900944 /nfs/dbraw/zinc/90/09/44/1351900944.db2.gz UPEBGCCWLLMAQR-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609310115 1351928105 /nfs/dbraw/zinc/92/81/05/1351928105.db2.gz DIZSMWCDYQXRCS-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609310115 1351928108 /nfs/dbraw/zinc/92/81/08/1351928108.db2.gz DIZSMWCDYQXRCS-LKFCYVNXSA-N -1 1 345.334 2.105 20 0 EEADMM COc1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)ccc1SC ZINC001609345487 1351940140 /nfs/dbraw/zinc/94/01/40/1351940140.db2.gz KAILMJBIHVNYFI-UHFFFAOYSA-N -1 1 331.405 2.241 20 0 EEADMM COc1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)ccc1SC ZINC001609345487 1351940142 /nfs/dbraw/zinc/94/01/42/1351940142.db2.gz KAILMJBIHVNYFI-UHFFFAOYSA-N -1 1 331.405 2.241 20 0 EEADMM COc1ccc2[nH]cc(CCNc3ccnc(-c4nnn[n-]4)c3)c2c1 ZINC001609359378 1351946314 /nfs/dbraw/zinc/94/63/14/1351946314.db2.gz NCVVVWJDKJQSPM-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM COc1ccc2[nH]cc(CCNc3ccnc(-c4nn[n-]n4)c3)c2c1 ZINC001609359378 1351946318 /nfs/dbraw/zinc/94/63/18/1351946318.db2.gz NCVVVWJDKJQSPM-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](F)(c3ccccc3C)C2)n1 ZINC001609391857 1351957547 /nfs/dbraw/zinc/95/75/47/1351957547.db2.gz XXGRVGQSVRPXPA-QGZVFWFLSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](F)(c3ccccc3C)C2)n1 ZINC001609391857 1351957550 /nfs/dbraw/zinc/95/75/50/1351957550.db2.gz XXGRVGQSVRPXPA-QGZVFWFLSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1cc(C)n(CCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001609399435 1351961028 /nfs/dbraw/zinc/96/10/28/1351961028.db2.gz YCSMREKVLYMDCZ-UHFFFAOYSA-N -1 1 332.799 2.231 20 0 EEADMM Cc1cc(C)n(CCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001609399435 1351961030 /nfs/dbraw/zinc/96/10/30/1351961030.db2.gz YCSMREKVLYMDCZ-UHFFFAOYSA-N -1 1 332.799 2.231 20 0 EEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 ZINC001609404071 1351962372 /nfs/dbraw/zinc/96/23/72/1351962372.db2.gz AHBUWBITGLQXOQ-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(OC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC001609444730 1351980673 /nfs/dbraw/zinc/98/06/73/1351980673.db2.gz PZHMPMPFNOTHJG-UHFFFAOYSA-N -1 1 341.375 2.328 20 0 EEADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(C)s1 ZINC001609450272 1351982175 /nfs/dbraw/zinc/98/21/75/1351982175.db2.gz DTRKFPTVYLEFNM-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@H]2C)c1-c1nn[n-]n1 ZINC001609458172 1351985847 /nfs/dbraw/zinc/98/58/47/1351985847.db2.gz XNLNPYZXYBLDNM-MFKMUULPSA-N -1 1 338.371 2.060 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC001609468349 1351989217 /nfs/dbraw/zinc/98/92/17/1351989217.db2.gz QHXDZPGXQANOHF-UHFFFAOYSA-N -1 1 342.359 2.450 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC001609468349 1351989222 /nfs/dbraw/zinc/98/92/22/1351989222.db2.gz QHXDZPGXQANOHF-UHFFFAOYSA-N -1 1 342.359 2.450 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC001609467780 1351988594 /nfs/dbraw/zinc/98/85/94/1351988594.db2.gz SSQFFWLMLDMFIP-KCJUWKMLSA-N -1 1 327.344 2.415 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC001609467780 1351988598 /nfs/dbraw/zinc/98/85/98/1351988598.db2.gz SSQFFWLMLDMFIP-KCJUWKMLSA-N -1 1 327.344 2.415 20 0 EEADMM CCOc1ccc(-c2nc(C)c(C(=O)N(C)c3nn[n-]n3)s2)cc1 ZINC001332196513 1335760083 /nfs/dbraw/zinc/76/00/83/1335760083.db2.gz VHKJPWUGIOIEPM-UHFFFAOYSA-N -1 1 344.400 2.307 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609564294 1352017167 /nfs/dbraw/zinc/01/71/67/1352017167.db2.gz SXDQLEQQZNJLTD-LLVKDONJSA-N -1 1 325.328 2.216 20 0 EEADMM O[C@H](COc1ccc(F)nc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001609607343 1352034622 /nfs/dbraw/zinc/03/46/22/1352034622.db2.gz YHJSJCQOQHBPEN-SNVBAGLBSA-N -1 1 335.726 2.167 20 0 EEADMM c1ccc([C@H]2CN(c3ncncc3-c3nn[n-]n3)CC23CCC3)cc1 ZINC001609617012 1352041225 /nfs/dbraw/zinc/04/12/25/1352041225.db2.gz QAWOKLWOEXOPPR-OAHLLOKOSA-N -1 1 333.399 2.431 20 0 EEADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001333874244 1336159007 /nfs/dbraw/zinc/15/90/07/1336159007.db2.gz UTPJQLXMNRUPMY-MRVPVSSYSA-N -1 1 347.795 2.338 20 0 EEADMM C[C@@H](C(=O)NC1CCCCC1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001609634443 1352046969 /nfs/dbraw/zinc/04/69/69/1352046969.db2.gz FHZPBBKDQOGTBH-HZMBPMFUSA-N -1 1 336.354 2.163 20 0 EEADMM C[C@H](NC[C@@H](O)COCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC001609774418 1352082350 /nfs/dbraw/zinc/08/23/50/1352082350.db2.gz UHGZBORYORWVOM-VHSXEESVSA-N -1 1 342.442 2.131 20 0 EEADMM Cn1ncc2cc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)cnc21 ZINC001338359741 1336847669 /nfs/dbraw/zinc/84/76/69/1336847669.db2.gz ZATBWGCOGAZMTE-UHFFFAOYSA-N -1 1 328.397 2.258 20 0 EEADMM CCCN(CC)c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C ZINC001338368526 1336849306 /nfs/dbraw/zinc/84/93/06/1336849306.db2.gz LFAASIJRHFKOHR-UHFFFAOYSA-N -1 1 339.403 2.276 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001348535996 1337558406 /nfs/dbraw/zinc/55/84/06/1337558406.db2.gz VQUYMBBBRXVPFZ-ZDUSSCGKSA-N -1 1 329.425 2.409 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC1(C)CC1 ZINC000847361409 1337979729 /nfs/dbraw/zinc/97/97/29/1337979729.db2.gz FGOQENLQSXQEFM-GHMZBOCLSA-N -1 1 335.370 2.418 20 0 EEADMM O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596538 1337993510 /nfs/dbraw/zinc/99/35/10/1337993510.db2.gz QQOLQQUBYOEUCW-ZCFIWIBFSA-N -1 1 330.150 2.275 20 0 EEADMM COc1cccc(/C(C)=C/C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001610355059 1352209974 /nfs/dbraw/zinc/20/99/74/1352209974.db2.gz CSTCESZHTIWACB-ATGUSINASA-N -1 1 346.427 2.106 20 0 EEADMM Cc1c2cccc(C)c2oc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001610406120 1352217600 /nfs/dbraw/zinc/21/76/00/1352217600.db2.gz ONXFLNVGANICSK-CYBMUJFWSA-N -1 1 330.384 2.138 20 0 EEADMM Cc1cc(NC(=O)CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])on1 ZINC001610470702 1352227930 /nfs/dbraw/zinc/22/79/30/1352227930.db2.gz KPWLIXLGNHRUJE-LBPRGKRZSA-N -1 1 331.372 2.144 20 0 EEADMM Cc1ccccc1-c1noc(CN2CCSC[C@@H](C(=O)[O-])C2)n1 ZINC001610528238 1352239440 /nfs/dbraw/zinc/23/94/40/1352239440.db2.gz BXQXWKVGXNGOCC-LBPRGKRZSA-N -1 1 333.413 2.295 20 0 EEADMM NC(=O)Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001610638895 1352256874 /nfs/dbraw/zinc/25/68/74/1352256874.db2.gz RXLWVBVESTYBGO-INIZCTEOSA-N -1 1 332.787 2.283 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1 ZINC001610658899 1352258095 /nfs/dbraw/zinc/25/80/95/1352258095.db2.gz MMGAUXCOHJVSGZ-UHFFFAOYSA-N -1 1 337.339 2.136 20 0 EEADMM O=C(CCCC1CC1)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001428122759 1339412734 /nfs/dbraw/zinc/41/27/34/1339412734.db2.gz RYHDPXQLFCYAMD-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM O=C([O-])[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC001610717517 1352263967 /nfs/dbraw/zinc/26/39/67/1352263967.db2.gz HSDDVOHDXIZPJC-CABCVRRESA-N -1 1 326.331 2.449 20 0 EEADMM O=C([O-])[C@@H]1CSCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001610748333 1352268312 /nfs/dbraw/zinc/26/83/12/1352268312.db2.gz DZWBOGVIMDNDTG-GWCFXTLKSA-N -1 1 349.374 2.488 20 0 EEADMM O=C([O-])[C@@H]1CSCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC001610748872 1352268372 /nfs/dbraw/zinc/26/83/72/1352268372.db2.gz MWDVMNWQEXYNKD-JTQLQIEISA-N -1 1 325.821 2.237 20 0 EEADMM O=C([O-])[C@@H]1CSCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC001610748872 1352268375 /nfs/dbraw/zinc/26/83/75/1352268375.db2.gz MWDVMNWQEXYNKD-JTQLQIEISA-N -1 1 325.821 2.237 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCOC[C@H]2CC2CCC2)cc1 ZINC001610837085 1352282858 /nfs/dbraw/zinc/28/28/58/1352282858.db2.gz VARRCZRXRIONQJ-IAGOWNOFSA-N -1 1 349.427 2.016 20 0 EEADMM Cc1cccc([C@@H](C)C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1 ZINC001429227913 1339842466 /nfs/dbraw/zinc/84/24/66/1339842466.db2.gz RMZFQIJZEVKRRP-CQSZACIVSA-N -1 1 341.411 2.088 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC001610881380 1352290013 /nfs/dbraw/zinc/29/00/13/1352290013.db2.gz JIRAMZDIAODAJS-IBGZPJMESA-N -1 1 335.363 2.431 20 0 EEADMM Cc1sc(=O)n(CC(=O)Nc2c[n-][nH]c2=O)c1-c1ccc(F)cc1 ZINC001611379393 1352299905 /nfs/dbraw/zinc/29/99/05/1352299905.db2.gz GOVRYPICQZUJNO-UHFFFAOYSA-N -1 1 348.359 2.092 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001430006719 1340088871 /nfs/dbraw/zinc/08/88/71/1340088871.db2.gz WHQPIUFMPHHZNY-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)C[C@@H](CNC(=O)CC1CCC1)NC(=O)c1ncccc1[O-] ZINC001431095902 1340447890 /nfs/dbraw/zinc/44/78/90/1340447890.db2.gz AVZGXKOJFXXXEZ-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cnc(SC)[n-]c2=O)[C@H](C)[C@@H]1OC ZINC001433866370 1341708357 /nfs/dbraw/zinc/70/83/57/1341708357.db2.gz HITWKUJYIWRISD-WCQGTBRESA-N -1 1 339.461 2.474 20 0 EEADMM O=C([C@@H](Cc1ccccc1)C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001553575105 1342350543 /nfs/dbraw/zinc/35/05/43/1342350543.db2.gz OFWNWKDEIWYNEX-CVEARBPZSA-N -1 1 325.416 2.175 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1nn[n-]n1 ZINC001562303015 1342536655 /nfs/dbraw/zinc/53/66/55/1342536655.db2.gz MJPADILVZHKGCV-LBPRGKRZSA-N -1 1 331.405 2.297 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS1 ZINC001575992744 1343937789 /nfs/dbraw/zinc/93/77/89/1343937789.db2.gz PNFBDSZGKUEPQS-IUCAKERBSA-N -1 1 338.462 2.012 20 0 EEADMM COC(=O)c1ccc(CSc2cccnc2-c2nnn[n-]2)c(F)c1 ZINC001579482882 1344388451 /nfs/dbraw/zinc/38/84/51/1344388451.db2.gz REQQJVFRBHXFNH-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM COC(=O)c1ccc(CSc2cccnc2-c2nn[n-]n2)c(F)c1 ZINC001579482882 1344388456 /nfs/dbraw/zinc/38/84/56/1344388456.db2.gz REQQJVFRBHXFNH-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM COc1ccc(F)cc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580035430 1344453034 /nfs/dbraw/zinc/45/30/34/1344453034.db2.gz VEUIKAXKZWPMLJ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(F)cc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580035430 1344453038 /nfs/dbraw/zinc/45/30/38/1344453038.db2.gz VEUIKAXKZWPMLJ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM CSc1cccnc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001580236721 1344496481 /nfs/dbraw/zinc/49/64/81/1344496481.db2.gz VWJKJTOQZMOEIC-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM CSc1cccnc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001580236721 1344496487 /nfs/dbraw/zinc/49/64/87/1344496487.db2.gz VWJKJTOQZMOEIC-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM Cc1ccc(CCNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)o1 ZINC001581193319 1344595403 /nfs/dbraw/zinc/59/54/03/1344595403.db2.gz ABTUMWOTTBXNLZ-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Clc1cc(NCc2ccnc(-c3nnn[n-]3)c2)nc(C2CC2)n1 ZINC001581746463 1344660121 /nfs/dbraw/zinc/66/01/21/1344660121.db2.gz UYFYSKSDTKWHAU-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Clc1cc(NCc2ccnc(-c3nn[n-]n3)c2)nc(C2CC2)n1 ZINC001581746463 1344660123 /nfs/dbraw/zinc/66/01/23/1344660123.db2.gz UYFYSKSDTKWHAU-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Cn1nc(-c2ccco2)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581821564 1344673338 /nfs/dbraw/zinc/67/33/38/1344673338.db2.gz ZDXPXPCJYOLQLJ-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM O=C(CSc1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582133052 1344704810 /nfs/dbraw/zinc/70/48/10/1344704810.db2.gz OOMVECRIFJJTBZ-UHFFFAOYSA-N -1 1 331.426 2.337 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001582472295 1344752969 /nfs/dbraw/zinc/75/29/69/1344752969.db2.gz QLOJNEUKAKVOSQ-LLVKDONJSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001582472295 1344752973 /nfs/dbraw/zinc/75/29/73/1344752973.db2.gz QLOJNEUKAKVOSQ-LLVKDONJSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOCc2ccccc21 ZINC001582744833 1344788324 /nfs/dbraw/zinc/78/83/24/1344788324.db2.gz JVNAHBZSPXQOBK-UHFFFAOYSA-N -1 1 327.369 2.105 20 0 EEADMM CC(=O)Nc1cccc2c1CN(c1cc(C)nc(-c3nnn[n-]3)c1)CC2 ZINC001588883780 1348941049 /nfs/dbraw/zinc/94/10/49/1348941049.db2.gz SMDCSVYKEKDCIL-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1cccc2c1CN(c1cc(C)nc(-c3nn[n-]n3)c1)CC2 ZINC001588883780 1348941051 /nfs/dbraw/zinc/94/10/51/1348941051.db2.gz SMDCSVYKEKDCIL-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001589026655 1348953186 /nfs/dbraw/zinc/95/31/86/1348953186.db2.gz JYBICHQBBVUSMH-SNVBAGLBSA-N -1 1 333.392 2.154 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001589026655 1348953189 /nfs/dbraw/zinc/95/31/89/1348953189.db2.gz JYBICHQBBVUSMH-SNVBAGLBSA-N -1 1 333.392 2.154 20 0 EEADMM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)o1)C1CCC(O)CC1 ZINC001589061970 1348956900 /nfs/dbraw/zinc/95/69/00/1348956900.db2.gz PDGQNVHBKPRHDY-UHFFFAOYSA-N -1 1 334.376 2.080 20 0 EEADMM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)o1)C1CCC(O)CC1 ZINC001589061970 1348956906 /nfs/dbraw/zinc/95/69/06/1348956906.db2.gz PDGQNVHBKPRHDY-UHFFFAOYSA-N -1 1 334.376 2.080 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001589148391 1348966062 /nfs/dbraw/zinc/96/60/62/1348966062.db2.gz GXKISLOYCRVLLI-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001589148391 1348966065 /nfs/dbraw/zinc/96/60/65/1348966065.db2.gz GXKISLOYCRVLLI-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OCc1ccc(Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589198215 1348969895 /nfs/dbraw/zinc/96/98/95/1348969895.db2.gz AETFAXVMUXUDSV-UHFFFAOYSA-N -1 1 325.376 2.137 20 0 EEADMM CC(C)[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC001589488736 1348995535 /nfs/dbraw/zinc/99/55/35/1348995535.db2.gz ZHOPKGUHCHCPNP-CYBMUJFWSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC001589488736 1348995539 /nfs/dbraw/zinc/99/55/39/1348995539.db2.gz ZHOPKGUHCHCPNP-CYBMUJFWSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)COc1ncccc1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589651177 1349015879 /nfs/dbraw/zinc/01/58/79/1349015879.db2.gz HCIJGYMGABBSDB-UHFFFAOYSA-N -1 1 343.343 2.247 20 0 EEADMM CC(C)COc1ncccc1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589651177 1349015885 /nfs/dbraw/zinc/01/58/85/1349015885.db2.gz HCIJGYMGABBSDB-UHFFFAOYSA-N -1 1 343.343 2.247 20 0 EEADMM CC(C)Cc1ncc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001589664948 1349017615 /nfs/dbraw/zinc/01/76/15/1349017615.db2.gz COZXXCREJOFLRL-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM CC(C)Cc1ncc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589664948 1349017618 /nfs/dbraw/zinc/01/76/18/1349017618.db2.gz COZXXCREJOFLRL-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001589792522 1349044152 /nfs/dbraw/zinc/04/41/52/1349044152.db2.gz DKLQDUMVZPKIIO-JTQLQIEISA-N -1 1 328.401 2.133 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001589792522 1349044155 /nfs/dbraw/zinc/04/41/55/1349044155.db2.gz DKLQDUMVZPKIIO-JTQLQIEISA-N -1 1 328.401 2.133 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589801790 1349046403 /nfs/dbraw/zinc/04/64/03/1349046403.db2.gz ADIZIYLHIUFDKI-BQBZGAKWSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589801790 1349046408 /nfs/dbraw/zinc/04/64/08/1349046408.db2.gz ADIZIYLHIUFDKI-BQBZGAKWSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](CCCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589820588 1349050605 /nfs/dbraw/zinc/05/06/05/1349050605.db2.gz JSNCJCSAFGISNW-NSHDSACASA-N -1 1 342.428 2.464 20 0 EEADMM C[C@@H](CCCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589820588 1349050606 /nfs/dbraw/zinc/05/06/06/1349050606.db2.gz JSNCJCSAFGISNW-NSHDSACASA-N -1 1 342.428 2.464 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nccn1-c1ccccc1 ZINC001589980231 1349091288 /nfs/dbraw/zinc/09/12/88/1349091288.db2.gz JHBANQZMJFMTTN-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nccn1-c1ccccc1 ZINC001589980231 1349091292 /nfs/dbraw/zinc/09/12/92/1349091292.db2.gz JHBANQZMJFMTTN-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC001589985379 1349092934 /nfs/dbraw/zinc/09/29/34/1349092934.db2.gz HXRJSPDZEMPGDI-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC001589985379 1349092938 /nfs/dbraw/zinc/09/29/38/1349092938.db2.gz HXRJSPDZEMPGDI-SECBINFHSA-N -1 1 332.314 2.458 20 0 EEADMM CC1(C)CC[C@@H](O)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001590100714 1349155900 /nfs/dbraw/zinc/15/59/00/1349155900.db2.gz XHANGBGTDLUWQA-RNFRBKRXSA-N -1 1 328.829 2.328 20 0 EEADMM CC1(C)CC[C@@H](O)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001590100714 1349155903 /nfs/dbraw/zinc/15/59/03/1349155903.db2.gz XHANGBGTDLUWQA-RNFRBKRXSA-N -1 1 328.829 2.328 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC=C(C)C1 ZINC001590161170 1349180070 /nfs/dbraw/zinc/18/00/70/1349180070.db2.gz TZQAEFUDVGFSGL-UHFFFAOYSA-N -1 1 338.371 2.351 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC=C(C)C1 ZINC001590161170 1349180078 /nfs/dbraw/zinc/18/00/78/1349180078.db2.gz TZQAEFUDVGFSGL-UHFFFAOYSA-N -1 1 338.371 2.351 20 0 EEADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001590218115 1349206402 /nfs/dbraw/zinc/20/64/02/1349206402.db2.gz GCHUHHRPVPQDSI-APPZFPTMSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001590218115 1349206409 /nfs/dbraw/zinc/20/64/09/1349206409.db2.gz GCHUHHRPVPQDSI-APPZFPTMSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590225389 1349210219 /nfs/dbraw/zinc/21/02/19/1349210219.db2.gz DJYTWFGVFMEOPS-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590225389 1349210222 /nfs/dbraw/zinc/21/02/22/1349210222.db2.gz DJYTWFGVFMEOPS-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM CC1CCN(C(=O)CSc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001590264368 1349239355 /nfs/dbraw/zinc/23/93/55/1349239355.db2.gz PQMNOEINGTXARC-UHFFFAOYSA-N -1 1 335.408 2.356 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccsc2)O1 ZINC001590298585 1349252461 /nfs/dbraw/zinc/25/24/61/1349252461.db2.gz LYKQKTBJLXHIPQ-RNCFNFMXSA-N -1 1 345.384 2.123 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccsc2)O1 ZINC001590298585 1349252465 /nfs/dbraw/zinc/25/24/65/1349252465.db2.gz LYKQKTBJLXHIPQ-RNCFNFMXSA-N -1 1 345.384 2.123 20 0 EEADMM C/C=C(\C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001590345038 1349277453 /nfs/dbraw/zinc/27/74/53/1349277453.db2.gz HGAFLANPRCZXQV-RUDMXATFSA-N -1 1 347.448 2.049 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001590401356 1349304443 /nfs/dbraw/zinc/30/44/43/1349304443.db2.gz YMYPPOJPVOVZPC-XCBNKYQSSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001590401356 1349304453 /nfs/dbraw/zinc/30/44/53/1349304453.db2.gz YMYPPOJPVOVZPC-XCBNKYQSSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1c(C)noc1C ZINC001590459829 1349337765 /nfs/dbraw/zinc/33/77/65/1349337765.db2.gz MQZYWSOBDHWGDL-LLVKDONJSA-N -1 1 330.348 2.254 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1c(C)noc1C ZINC001590459829 1349337775 /nfs/dbraw/zinc/33/77/75/1349337775.db2.gz MQZYWSOBDHWGDL-LLVKDONJSA-N -1 1 330.348 2.254 20 0 EEADMM CCOC(CCNc1snc(Cl)c1-c1nnn[n-]1)OCC ZINC001590785159 1349398749 /nfs/dbraw/zinc/39/87/49/1349398749.db2.gz DUEGKVCFZHRFEG-UHFFFAOYSA-N -1 1 332.817 2.178 20 0 EEADMM CCOC(CCNc1snc(Cl)c1-c1nn[n-]n1)OCC ZINC001590785159 1349398754 /nfs/dbraw/zinc/39/87/54/1349398754.db2.gz DUEGKVCFZHRFEG-UHFFFAOYSA-N -1 1 332.817 2.178 20 0 EEADMM CCn1ccc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)n1 ZINC001590959543 1349424052 /nfs/dbraw/zinc/42/40/52/1349424052.db2.gz KREKHDKIFRTHNU-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CCn1ccc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)n1 ZINC001590959543 1349424057 /nfs/dbraw/zinc/42/40/57/1349424057.db2.gz KREKHDKIFRTHNU-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CN(CC1(O)CCCCCC1)c1snc(Cl)c1-c1nnn[n-]1 ZINC001591050800 1349436046 /nfs/dbraw/zinc/43/60/46/1349436046.db2.gz QJAKLVZIRZRNCU-UHFFFAOYSA-N -1 1 342.856 2.498 20 0 EEADMM CN(CC1(O)CCCCCC1)c1snc(Cl)c1-c1nn[n-]n1 ZINC001591050800 1349436051 /nfs/dbraw/zinc/43/60/51/1349436051.db2.gz QJAKLVZIRZRNCU-UHFFFAOYSA-N -1 1 342.856 2.498 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591335922 1349463165 /nfs/dbraw/zinc/46/31/65/1349463165.db2.gz YRJVWLZVGIACSG-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591335922 1349463166 /nfs/dbraw/zinc/46/31/66/1349463166.db2.gz YRJVWLZVGIACSG-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM COc1cc(F)ccc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001591540830 1349503268 /nfs/dbraw/zinc/50/32/68/1349503268.db2.gz PNSAOBWTCQOFCC-UHFFFAOYSA-N -1 1 348.363 2.398 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001591641749 1349520489 /nfs/dbraw/zinc/52/04/89/1349520489.db2.gz UMTSJSQTPPABNV-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001591641749 1349520494 /nfs/dbraw/zinc/52/04/94/1349520494.db2.gz UMTSJSQTPPABNV-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM Cc1cc(=O)oc2cc(N(C)Cc3cccc(-c4nnn[n-]4)n3)ccc12 ZINC001591905099 1349554850 /nfs/dbraw/zinc/55/48/50/1349554850.db2.gz RXDJYKNDUMLHKI-UHFFFAOYSA-N -1 1 348.366 2.313 20 0 EEADMM Cc1cc(=O)oc2cc(N(C)Cc3cccc(-c4nn[n-]n4)n3)ccc12 ZINC001591905099 1349554856 /nfs/dbraw/zinc/55/48/56/1349554856.db2.gz RXDJYKNDUMLHKI-UHFFFAOYSA-N -1 1 348.366 2.313 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001592110409 1349592649 /nfs/dbraw/zinc/59/26/49/1349592649.db2.gz OSQFDRDDYOUFSM-LBPRGKRZSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1[nH]nc(NC(=O)CC(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592328939 1349621789 /nfs/dbraw/zinc/62/17/89/1349621789.db2.gz ZUTVYZATVZUUIY-UHFFFAOYSA-N -1 1 325.376 2.205 20 0 EEADMM Cc1nnc(Sc2ccnc(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC001592450463 1349633742 /nfs/dbraw/zinc/63/37/42/1349633742.db2.gz QDASGAKUPNBMMY-UHFFFAOYSA-N -1 1 336.384 2.302 20 0 EEADMM Cc1nnc(Sc2ccnc(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC001592450463 1349633743 /nfs/dbraw/zinc/63/37/43/1349633743.db2.gz QDASGAKUPNBMMY-UHFFFAOYSA-N -1 1 336.384 2.302 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCSC2(CCC2)C1 ZINC001592502051 1349638069 /nfs/dbraw/zinc/63/80/69/1349638069.db2.gz KPADKZBPFYTQEE-JTQLQIEISA-N -1 1 333.417 2.316 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCSC2(CCC2)C1 ZINC001592502051 1349638070 /nfs/dbraw/zinc/63/80/70/1349638070.db2.gz KPADKZBPFYTQEE-JTQLQIEISA-N -1 1 333.417 2.316 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nc(CCC(C)C)no1 ZINC001592503994 1349640150 /nfs/dbraw/zinc/64/01/50/1349640150.db2.gz OJPFNKZSOHQWRM-UHFFFAOYSA-N -1 1 346.347 2.097 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nc(CCC(C)C)no1 ZINC001592503994 1349640152 /nfs/dbraw/zinc/64/01/52/1349640152.db2.gz OJPFNKZSOHQWRM-UHFFFAOYSA-N -1 1 346.347 2.097 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC001592502814 1349640195 /nfs/dbraw/zinc/64/01/95/1349640195.db2.gz JTQSMRXSLVSHCY-UHFFFAOYSA-N -1 1 339.311 2.259 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2oc(CO)cc2c1 ZINC001592502814 1349640196 /nfs/dbraw/zinc/64/01/96/1349640196.db2.gz JTQSMRXSLVSHCY-UHFFFAOYSA-N -1 1 339.311 2.259 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(F)c(C3CC3)c2)c1-c1nnn[n-]1 ZINC001592516261 1349644446 /nfs/dbraw/zinc/64/44/46/1349644446.db2.gz COHLSIXIEYIJIP-UHFFFAOYSA-N -1 1 342.334 2.361 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(F)c(C3CC3)c2)c1-c1nn[n-]n1 ZINC001592516261 1349644447 /nfs/dbraw/zinc/64/44/47/1349644447.db2.gz COHLSIXIEYIJIP-UHFFFAOYSA-N -1 1 342.334 2.361 20 0 EEADMM Clc1ccc(N2CCC(c3ccncn3)CC2)nc1-c1nnn[n-]1 ZINC001592532345 1349649293 /nfs/dbraw/zinc/64/92/93/1349649293.db2.gz MLHSNWBPUQNRJG-UHFFFAOYSA-N -1 1 342.794 2.089 20 0 EEADMM Clc1ccc(N2CCC(c3ccncn3)CC2)nc1-c1nn[n-]n1 ZINC001592532345 1349649294 /nfs/dbraw/zinc/64/92/94/1349649294.db2.gz MLHSNWBPUQNRJG-UHFFFAOYSA-N -1 1 342.794 2.089 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)sc1-c1nnn[n-]1 ZINC001592540587 1349652577 /nfs/dbraw/zinc/65/25/77/1349652577.db2.gz NHQYYJQSBYPGBP-PRJMDXOYSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)sc1-c1nn[n-]n1 ZINC001592540587 1349652583 /nfs/dbraw/zinc/65/25/83/1349652583.db2.gz NHQYYJQSBYPGBP-PRJMDXOYSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nc(N2CCNc3ccccc3C2)sc1-c1nnn[n-]1 ZINC001592540585 1349653201 /nfs/dbraw/zinc/65/32/01/1349653201.db2.gz NGZNDVYGNBXDEA-UHFFFAOYSA-N -1 1 333.808 2.409 20 0 EEADMM Clc1nc(N2CCNc3ccccc3C2)sc1-c1nn[n-]n1 ZINC001592540585 1349653203 /nfs/dbraw/zinc/65/32/03/1349653203.db2.gz NGZNDVYGNBXDEA-UHFFFAOYSA-N -1 1 333.808 2.409 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C3CCCC3)C2)n1 ZINC001592559497 1349657653 /nfs/dbraw/zinc/65/76/53/1349657653.db2.gz SNGQNBKGZUHUOF-GFCCVEGCSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C3CCCC3)C2)n1 ZINC001592559497 1349657656 /nfs/dbraw/zinc/65/76/56/1349657656.db2.gz SNGQNBKGZUHUOF-GFCCVEGCSA-N -1 1 344.423 2.034 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001592641475 1349689306 /nfs/dbraw/zinc/68/93/06/1349689306.db2.gz KOOMQXYEBDYZCM-AWEZNQCLSA-N -1 1 328.326 2.451 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001592641475 1349689317 /nfs/dbraw/zinc/68/93/17/1349689317.db2.gz KOOMQXYEBDYZCM-AWEZNQCLSA-N -1 1 328.326 2.451 20 0 EEADMM O=C(CCCC1CC1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592832806 1349717413 /nfs/dbraw/zinc/71/74/13/1349717413.db2.gz OGVCQGVHDZDXGC-UHFFFAOYSA-N -1 1 346.460 2.157 20 0 EEADMM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1csc(-c2nn[n-]n2)c1 ZINC001592966000 1349730880 /nfs/dbraw/zinc/73/08/80/1349730880.db2.gz RCHFEFGWFVFQEK-KWCYVHTRSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001592995937 1349732761 /nfs/dbraw/zinc/73/27/61/1349732761.db2.gz FREUEMRAXNYPJU-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1coc(C(F)F)c1 ZINC001593136630 1349739902 /nfs/dbraw/zinc/73/99/02/1349739902.db2.gz DEPTUTSPXKOBHN-UHFFFAOYSA-N -1 1 325.300 2.389 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2cnccc2c1 ZINC001593203144 1349745694 /nfs/dbraw/zinc/74/56/94/1349745694.db2.gz HIZPHIWEZNPSJK-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1ccncc1 ZINC001593244749 1349749391 /nfs/dbraw/zinc/74/93/91/1349749391.db2.gz ZKYFWORQFVGFMG-CYBMUJFWSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ccncc1 ZINC001593244749 1349749393 /nfs/dbraw/zinc/74/93/93/1349749393.db2.gz ZKYFWORQFVGFMG-CYBMUJFWSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1)C1CC1 ZINC001593249898 1349750867 /nfs/dbraw/zinc/75/08/67/1349750867.db2.gz NRAQDWNYMIYWIE-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM O=C(Nc1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1)C1CC1 ZINC001593249898 1349750871 /nfs/dbraw/zinc/75/08/71/1349750871.db2.gz NRAQDWNYMIYWIE-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM O=C(OC/C=C/Br)c1cccc(F)c1-c1nnn[n-]1 ZINC001593286610 1349763943 /nfs/dbraw/zinc/76/39/43/1349763943.db2.gz LLQVOPMGVBZESO-GORDUTHDSA-N -1 1 327.113 2.071 20 0 EEADMM O=C(OC/C=C/Br)c1cccc(F)c1-c1nn[n-]n1 ZINC001593286610 1349763950 /nfs/dbraw/zinc/76/39/50/1349763950.db2.gz LLQVOPMGVBZESO-GORDUTHDSA-N -1 1 327.113 2.071 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N(CC1CC1)CC1CC1 ZINC001593329695 1349782658 /nfs/dbraw/zinc/78/26/58/1349782658.db2.gz SCDFGWIOUODUSM-UHFFFAOYSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N(CC1CC1)CC1CC1 ZINC001593329695 1349782661 /nfs/dbraw/zinc/78/26/61/1349782661.db2.gz SCDFGWIOUODUSM-UHFFFAOYSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC001593341798 1349786337 /nfs/dbraw/zinc/78/63/37/1349786337.db2.gz YHUCRBTVFQSWSK-SFHVURJKSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@]2(CCc3ccccc32)C1 ZINC001593341798 1349786343 /nfs/dbraw/zinc/78/63/43/1349786343.db2.gz YHUCRBTVFQSWSK-SFHVURJKSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC([C@@H]2CCCO2)CC1 ZINC001593349602 1349788240 /nfs/dbraw/zinc/78/82/40/1349788240.db2.gz FCEVIEZPVWCDPJ-AWEZNQCLSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC([C@@H]2CCCO2)CC1 ZINC001593349602 1349788246 /nfs/dbraw/zinc/78/82/46/1349788246.db2.gz FCEVIEZPVWCDPJ-AWEZNQCLSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1C1CCCCC1 ZINC001593348741 1349788672 /nfs/dbraw/zinc/78/86/72/1349788672.db2.gz OMVQVJIHNIRGKP-OAHLLOKOSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1C1CCCCC1 ZINC001593348741 1349788677 /nfs/dbraw/zinc/78/86/77/1349788677.db2.gz OMVQVJIHNIRGKP-OAHLLOKOSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(Cc2ccccc2)CC1 ZINC001593358539 1349789279 /nfs/dbraw/zinc/78/92/79/1349789279.db2.gz JMTCXXMTKDJLHG-UHFFFAOYSA-N -1 1 348.410 2.357 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(Cc2ccccc2)CC1 ZINC001593358539 1349789284 /nfs/dbraw/zinc/78/92/84/1349789284.db2.gz JMTCXXMTKDJLHG-UHFFFAOYSA-N -1 1 348.410 2.357 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593360704 1349791173 /nfs/dbraw/zinc/79/11/73/1349791173.db2.gz ADNGRIAZZXMESD-PXAZEXFGSA-N -1 1 337.408 2.342 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593360704 1349791177 /nfs/dbraw/zinc/79/11/77/1349791177.db2.gz ADNGRIAZZXMESD-PXAZEXFGSA-N -1 1 337.408 2.342 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC001593368161 1349792054 /nfs/dbraw/zinc/79/20/54/1349792054.db2.gz UROWJUZIMTYHPF-AWEZNQCLSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC001593368161 1349792056 /nfs/dbraw/zinc/79/20/56/1349792056.db2.gz UROWJUZIMTYHPF-AWEZNQCLSA-N -1 1 338.371 2.176 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1csc(Cl)n1 ZINC001593494944 1349819608 /nfs/dbraw/zinc/81/96/08/1349819608.db2.gz USVBDRYMFLXFET-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM c1cc(CSCC2CCC3(CC2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001593557309 1349847960 /nfs/dbraw/zinc/84/79/60/1349847960.db2.gz OEMFZHPSJQONCB-UHFFFAOYSA-N -1 1 347.444 2.428 20 0 EEADMM c1cc(CSCC2CCC3(CC2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001593557309 1349847963 /nfs/dbraw/zinc/84/79/63/1349847963.db2.gz OEMFZHPSJQONCB-UHFFFAOYSA-N -1 1 347.444 2.428 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@H]3CCC[C@H]23)cc1 ZINC001593573347 1349856618 /nfs/dbraw/zinc/85/66/18/1349856618.db2.gz PIMPSKGEOULJNX-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@H]3CCC[C@H]23)cc1 ZINC001593573347 1349856620 /nfs/dbraw/zinc/85/66/20/1349856620.db2.gz PIMPSKGEOULJNX-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc(C[C@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)cc1 ZINC001593574011 1349858412 /nfs/dbraw/zinc/85/84/12/1349858412.db2.gz VILQXBWGJAOMRG-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)cc1 ZINC001593574011 1349858415 /nfs/dbraw/zinc/85/84/15/1349858415.db2.gz VILQXBWGJAOMRG-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccnc(-c4nnn[n-]4)c3)cn2)cc1 ZINC001593576959 1349859679 /nfs/dbraw/zinc/85/96/79/1349859679.db2.gz VKANSVCOFODQII-UHFFFAOYSA-N -1 1 345.366 2.483 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccnc(-c4nn[n-]n4)c3)cn2)cc1 ZINC001593576959 1349859685 /nfs/dbraw/zinc/85/96/85/1349859685.db2.gz VKANSVCOFODQII-UHFFFAOYSA-N -1 1 345.366 2.483 20 0 EEADMM c1ccc2c(c1)CC[C@@H](Nc1cc(-c3nnn[n-]3)nc(C3CC3)n1)CO2 ZINC001593580858 1349861407 /nfs/dbraw/zinc/86/14/07/1349861407.db2.gz GUTVTZGXZITHNK-CYBMUJFWSA-N -1 1 349.398 2.340 20 0 EEADMM c1ccc2c(c1)CC[C@@H](Nc1cc(-c3nn[n-]n3)nc(C3CC3)n1)CO2 ZINC001593580858 1349861411 /nfs/dbraw/zinc/86/14/11/1349861411.db2.gz GUTVTZGXZITHNK-CYBMUJFWSA-N -1 1 349.398 2.340 20 0 EEADMM c1cncc(C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CCCC2)c1 ZINC001593587408 1349867192 /nfs/dbraw/zinc/86/71/92/1349867192.db2.gz GEQMTROIZXFQJP-INIZCTEOSA-N -1 1 335.415 2.292 20 0 EEADMM c1cncc(C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CCCC2)c1 ZINC001593587408 1349867195 /nfs/dbraw/zinc/86/71/95/1349867195.db2.gz GEQMTROIZXFQJP-INIZCTEOSA-N -1 1 335.415 2.292 20 0 EEADMM Cc1c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cccc1C(=O)[O-] ZINC001600037749 1349959923 /nfs/dbraw/zinc/95/99/23/1349959923.db2.gz XEXBJCUAMYLXLO-GFCCVEGCSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc([C@@H](C)[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001600149211 1349980255 /nfs/dbraw/zinc/98/02/55/1349980255.db2.gz IQZBJGVTYGHLMA-YMTOWFKASA-N -1 1 348.321 2.490 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC001600373703 1350033145 /nfs/dbraw/zinc/03/31/45/1350033145.db2.gz QHFZWSWKMZHWJK-DGCLKSJQSA-N -1 1 339.461 2.308 20 0 EEADMM Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1C ZINC001600453221 1350055499 /nfs/dbraw/zinc/05/54/99/1350055499.db2.gz ODQLVPQAXYNKPW-ZIAGYGMSSA-N -1 1 347.415 2.137 20 0 EEADMM Cc1nc(C[NH2+]Cc2cc(C(=O)[O-])c3n2CCCC3)sc1C(=O)[O-] ZINC001600701820 1350118555 /nfs/dbraw/zinc/11/85/55/1350118555.db2.gz QBOJLLBPAUUUGS-UHFFFAOYSA-N -1 1 349.412 2.276 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc2cncn2c1C ZINC001600785993 1350137143 /nfs/dbraw/zinc/13/71/43/1350137143.db2.gz ACQKSUSMIUOLEL-UHFFFAOYSA-N -1 1 341.371 2.183 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001600824324 1350145105 /nfs/dbraw/zinc/14/51/05/1350145105.db2.gz JDRHAXRXQARANF-AWEZNQCLSA-N -1 1 340.339 2.266 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H]2CCC3(COC3)O2)nc1C(=O)[O-] ZINC001600882016 1350159209 /nfs/dbraw/zinc/15/92/09/1350159209.db2.gz HUKJFRQMSHETOP-NWDGAFQWSA-N -1 1 338.429 2.235 20 0 EEADMM Cn1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC001600933304 1350171806 /nfs/dbraw/zinc/17/18/06/1350171806.db2.gz WMMZECHJRYATPK-UHFFFAOYSA-N -1 1 325.328 2.124 20 0 EEADMM Cn1ncc(Cl)c1CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001601027391 1350193417 /nfs/dbraw/zinc/19/34/17/1350193417.db2.gz HCJYOUJVJZCDEU-QWHCGFSZSA-N -1 1 335.791 2.079 20 0 EEADMM N[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001601172765 1350224835 /nfs/dbraw/zinc/22/48/35/1350224835.db2.gz YRTARHWETXIHSL-LBPRGKRZSA-N -1 1 344.333 2.466 20 0 EEADMM N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001601175943 1350225879 /nfs/dbraw/zinc/22/58/79/1350225879.db2.gz KLTJBFSQLSGYMX-CZUORRHYSA-N -1 1 343.427 2.141 20 0 EEADMM NCc1cc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)co1 ZINC001601191121 1350229491 /nfs/dbraw/zinc/22/94/91/1350229491.db2.gz UMJGIIMHHDNEGR-UHFFFAOYSA-N -1 1 343.383 2.153 20 0 EEADMM O=C([O-])c1coc(/C=C/C(=O)NC[C@H]2CCN2Cc2ccccc2)c1 ZINC001601234599 1350238303 /nfs/dbraw/zinc/23/83/03/1350238303.db2.gz XHRAWFVBVRLFNL-FYCOFBDGSA-N -1 1 340.379 2.382 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1ccc2cncn2c1)Cc1cccc(F)c1 ZINC001601461513 1350289525 /nfs/dbraw/zinc/28/95/25/1350289525.db2.gz GUUXLXDVAZDXLW-AWEZNQCLSA-N -1 1 341.342 2.147 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@H]1Cc2ccccc2CN1)CC1CCCC1 ZINC001601652441 1350328512 /nfs/dbraw/zinc/32/85/12/1350328512.db2.gz QEEVORZKCALULC-IAGOWNOFSA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601717056 1350347035 /nfs/dbraw/zinc/34/70/35/1350347035.db2.gz OPBNRNRVHJXRLN-JSGCOSHPSA-N -1 1 335.297 2.107 20 0 EEADMM O=C([O-])[C@H]1[C@H](CNCc2c(F)cccc2OC(F)F)C1(F)F ZINC001601749299 1350355582 /nfs/dbraw/zinc/35/55/82/1350355582.db2.gz GAUGGFXHQPYNLY-OIBJUYFYSA-N -1 1 325.233 2.483 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)c[nH]1 ZINC001602245300 1350475151 /nfs/dbraw/zinc/47/51/51/1350475151.db2.gz SAMFAZWTNAJHGF-INIZCTEOSA-N -1 1 336.351 2.224 20 0 EEADMM O=C([O-])c1cccc2c1CCN(C(=O)N[C@@H]1CCCc3cn[nH]c31)C2 ZINC001602455474 1350523094 /nfs/dbraw/zinc/52/30/94/1350523094.db2.gz JDMPGVQZIRGCCI-OAHLLOKOSA-N -1 1 340.383 2.253 20 0 EEADMM O=C([O-])c1cnc(CNC[C@@H](O)c2cc(F)c(F)c(F)c2)s1 ZINC001602521794 1350538021 /nfs/dbraw/zinc/53/80/21/1350538021.db2.gz YVIOTRZGKLEPHD-SECBINFHSA-N -1 1 332.303 2.082 20 0 EEADMM Brc1ccc2c(c1)N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001602680896 1350572656 /nfs/dbraw/zinc/57/26/56/1350572656.db2.gz HCOYXEIPUQYSQM-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001602680896 1350572661 /nfs/dbraw/zinc/57/26/61/1350572661.db2.gz HCOYXEIPUQYSQM-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM CC(=O)c1cccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1 ZINC001602979042 1350616630 /nfs/dbraw/zinc/61/66/30/1350616630.db2.gz JJUVXSICODTWDP-UHFFFAOYSA-N -1 1 342.384 2.111 20 0 EEADMM CC(=O)c1cccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1 ZINC001602979042 1350616631 /nfs/dbraw/zinc/61/66/31/1350616631.db2.gz JJUVXSICODTWDP-UHFFFAOYSA-N -1 1 342.384 2.111 20 0 EEADMM CC(C)(C)OC(=O)CSc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603085275 1350637233 /nfs/dbraw/zinc/63/72/33/1350637233.db2.gz NTYHLGGGXWVNQJ-UHFFFAOYSA-N -1 1 333.826 2.410 20 0 EEADMM CC(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1C ZINC001603111299 1350643056 /nfs/dbraw/zinc/64/30/56/1350643056.db2.gz BGNXTRSOBRFLMC-CYBMUJFWSA-N -1 1 347.415 2.210 20 0 EEADMM CC(=O)c1cccc(NC(=O)CN2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001603118395 1350644730 /nfs/dbraw/zinc/64/47/30/1350644730.db2.gz LUUIQRNEKVSLMM-KSSFIOAISA-N -1 1 330.384 2.014 20 0 EEADMM CC(C)(C)OC(=O)NC(C)(C)CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001603139843 1350648908 /nfs/dbraw/zinc/64/89/08/1350648908.db2.gz ZDZKAJCFDQPOQD-UHFFFAOYSA-N -1 1 347.423 2.367 20 0 EEADMM CC(C)(C)OC(=O)NC(C)(C)CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001603139843 1350648913 /nfs/dbraw/zinc/64/89/13/1350648913.db2.gz ZDZKAJCFDQPOQD-UHFFFAOYSA-N -1 1 347.423 2.367 20 0 EEADMM CC(C)(NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@H]1CCCCO1 ZINC001603685171 1350741974 /nfs/dbraw/zinc/74/19/74/1350741974.db2.gz BIBNVURZISABJV-CQSZACIVSA-N -1 1 345.399 2.471 20 0 EEADMM C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001603855809 1350784110 /nfs/dbraw/zinc/78/41/10/1350784110.db2.gz PUMKBRRYHSEFPG-MRVPVSSYSA-N -1 1 342.375 2.257 20 0 EEADMM C[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)CC(C)(C)C1=O ZINC001603867781 1350787672 /nfs/dbraw/zinc/78/76/72/1350787672.db2.gz KWSYZXVNFJYUPQ-IUCAKERBSA-N -1 1 334.401 2.479 20 0 EEADMM C[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)CC(C)(C)C1=O ZINC001603867781 1350787675 /nfs/dbraw/zinc/78/76/75/1350787675.db2.gz KWSYZXVNFJYUPQ-IUCAKERBSA-N -1 1 334.401 2.479 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604133961 1350868210 /nfs/dbraw/zinc/86/82/10/1350868210.db2.gz APUKKRLIQRWMFH-GXFFZTMASA-N -1 1 344.419 2.317 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604146924 1350874474 /nfs/dbraw/zinc/87/44/74/1350874474.db2.gz CLAZHNGUUJKDCG-HOTGVXAUSA-N -1 1 348.443 2.099 20 0 EEADMM CCN(Cc1ccccc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604325103 1350915864 /nfs/dbraw/zinc/91/58/64/1350915864.db2.gz VDSJCWLDEFHXIS-UHFFFAOYSA-N -1 1 343.416 2.055 20 0 EEADMM CCN(Cc1ccccc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604325103 1350915868 /nfs/dbraw/zinc/91/58/68/1350915868.db2.gz VDSJCWLDEFHXIS-UHFFFAOYSA-N -1 1 343.416 2.055 20 0 EEADMM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604328878 1350916859 /nfs/dbraw/zinc/91/68/59/1350916859.db2.gz YUINTKZHYYFWHQ-UHFFFAOYSA-N -1 1 347.400 2.292 20 0 EEADMM C[C@](O)(CN1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC001604369002 1350925102 /nfs/dbraw/zinc/92/51/02/1350925102.db2.gz GEOYLZPWOZHZSA-UONOGXRCSA-N -1 1 335.297 2.412 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001604464918 1350942930 /nfs/dbraw/zinc/94/29/30/1350942930.db2.gz MACWRZPRDHOROE-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001604464918 1350942934 /nfs/dbraw/zinc/94/29/34/1350942934.db2.gz MACWRZPRDHOROE-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@@H]1CC[C@H](C)N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001604488191 1350948145 /nfs/dbraw/zinc/94/81/45/1350948145.db2.gz UAEWKEVTAIJVJA-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM CC[C@@H]1CC[C@H](C)N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001604488191 1350948147 /nfs/dbraw/zinc/94/81/47/1350948147.db2.gz UAEWKEVTAIJVJA-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM CN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(C1CC1)C1CC1 ZINC001604650906 1350977119 /nfs/dbraw/zinc/97/71/19/1350977119.db2.gz YIHBUGXYNFQEAW-UHFFFAOYSA-N -1 1 333.342 2.406 20 0 EEADMM CN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(C1CC1)C1CC1 ZINC001604650906 1350977121 /nfs/dbraw/zinc/97/71/21/1350977121.db2.gz YIHBUGXYNFQEAW-UHFFFAOYSA-N -1 1 333.342 2.406 20 0 EEADMM CN(CCCOc1ccc(F)cc1)c1cccnc1-c1nnn[n-]1 ZINC001604756207 1350997757 /nfs/dbraw/zinc/99/77/57/1350997757.db2.gz PEIRLXKAQSTPGU-UHFFFAOYSA-N -1 1 328.351 2.306 20 0 EEADMM CN(CCCOc1ccc(F)cc1)c1cccnc1-c1nn[n-]n1 ZINC001604756207 1350997759 /nfs/dbraw/zinc/99/77/59/1350997759.db2.gz PEIRLXKAQSTPGU-UHFFFAOYSA-N -1 1 328.351 2.306 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001604791498 1351004990 /nfs/dbraw/zinc/00/49/90/1351004990.db2.gz YCPIZGGVKKDGGG-LRDDRELGSA-N -1 1 349.406 2.003 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604810889 1351012787 /nfs/dbraw/zinc/01/27/87/1351012787.db2.gz ZGRBPUZNEBYNAI-UHFFFAOYSA-N -1 1 349.297 2.333 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604810889 1351012792 /nfs/dbraw/zinc/01/27/92/1351012792.db2.gz ZGRBPUZNEBYNAI-UHFFFAOYSA-N -1 1 349.297 2.333 20 0 EEADMM CNC(=O)Nc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001604886140 1351025142 /nfs/dbraw/zinc/02/51/42/1351025142.db2.gz MGPPNSKQDFRAAE-UHFFFAOYSA-N -1 1 347.379 2.431 20 0 EEADMM CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604967295 1351041895 /nfs/dbraw/zinc/04/18/95/1351041895.db2.gz BIGLZDZYAAYLOA-QJPTWQEYSA-N -1 1 339.461 2.324 20 0 EEADMM COCC1=CCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001605067399 1351070726 /nfs/dbraw/zinc/07/07/26/1351070726.db2.gz BSCMGJMEOBZOCN-UHFFFAOYSA-N -1 1 340.309 2.063 20 0 EEADMM COCC1=CCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001605067399 1351070731 /nfs/dbraw/zinc/07/07/31/1351070731.db2.gz BSCMGJMEOBZOCN-UHFFFAOYSA-N -1 1 340.309 2.063 20 0 EEADMM CSc1cc(O)ccc1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605382425 1351149800 /nfs/dbraw/zinc/14/98/00/1351149800.db2.gz QEGFQTIBKFHQSL-UHFFFAOYSA-N -1 1 343.372 2.333 20 0 EEADMM CSc1cc(O)ccc1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605382425 1351149802 /nfs/dbraw/zinc/14/98/02/1351149802.db2.gz QEGFQTIBKFHQSL-UHFFFAOYSA-N -1 1 343.372 2.333 20 0 EEADMM CSc1ccccc1[C@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605390460 1351151777 /nfs/dbraw/zinc/15/17/77/1351151777.db2.gz WRIQAOZGNNDKGK-JTQLQIEISA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccccc1[C@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605390460 1351151779 /nfs/dbraw/zinc/15/17/79/1351151779.db2.gz WRIQAOZGNNDKGK-JTQLQIEISA-N -1 1 340.412 2.475 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001605572504 1351192356 /nfs/dbraw/zinc/19/23/56/1351192356.db2.gz IFUFUPGNSUIQMS-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001605572504 1351192359 /nfs/dbraw/zinc/19/23/59/1351192359.db2.gz IFUFUPGNSUIQMS-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(Nc2nc(C)cc(-c3nnn[n-]3)n2)nn1[C@H](C)C1CC1 ZINC001605584371 1351194404 /nfs/dbraw/zinc/19/44/04/1351194404.db2.gz SERFIZAQQYSJJB-SNVBAGLBSA-N -1 1 325.380 2.185 20 0 EEADMM Cc1cc(Nc2nc(C)cc(-c3nn[n-]n3)n2)nn1[C@H](C)C1CC1 ZINC001605584371 1351194405 /nfs/dbraw/zinc/19/44/05/1351194405.db2.gz SERFIZAQQYSJJB-SNVBAGLBSA-N -1 1 325.380 2.185 20 0 EEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001605832826 1351231582 /nfs/dbraw/zinc/23/15/82/1351231582.db2.gz DXPMSASKRXQZCF-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001605832826 1351231583 /nfs/dbraw/zinc/23/15/83/1351231583.db2.gz DXPMSASKRXQZCF-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM CCc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001605834644 1351232000 /nfs/dbraw/zinc/23/20/00/1351232000.db2.gz GFWWBTXCSJWOJL-KRWDZBQOSA-N -1 1 326.396 2.473 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001605838598 1351232666 /nfs/dbraw/zinc/23/26/66/1351232666.db2.gz JVMAMJLLRVMVFG-LLVKDONJSA-N -1 1 342.428 2.127 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001605838598 1351232668 /nfs/dbraw/zinc/23/26/68/1351232668.db2.gz JVMAMJLLRVMVFG-LLVKDONJSA-N -1 1 342.428 2.127 20 0 EEADMM Cc1cccc(C2(C(=O)OCc3cccnc3-c3nnn[n-]3)CC2)c1 ZINC001605910488 1351251968 /nfs/dbraw/zinc/25/19/68/1351251968.db2.gz SZZWBZGLIXTZFK-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM Cc1cccc(C2(C(=O)OCc3cccnc3-c3nn[n-]n3)CC2)c1 ZINC001605910488 1351251970 /nfs/dbraw/zinc/25/19/70/1351251970.db2.gz SZZWBZGLIXTZFK-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001606012399 1351263567 /nfs/dbraw/zinc/26/35/67/1351263567.db2.gz WQBGCJAVHHBBID-HNNXBMFYSA-N -1 1 346.362 2.343 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001606168249 1351280604 /nfs/dbraw/zinc/28/06/04/1351280604.db2.gz DPQOSTWRTMDUIY-WCQYABFASA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001606168249 1351280606 /nfs/dbraw/zinc/28/06/06/1351280606.db2.gz DPQOSTWRTMDUIY-WCQYABFASA-N -1 1 345.309 2.332 20 0 EEADMM Fc1cccc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c1-c1nnn[n-]1 ZINC001606328755 1351293214 /nfs/dbraw/zinc/29/32/14/1351293214.db2.gz HFFUZDOUMXAMQA-GMSGAONNSA-N -1 1 332.257 2.495 20 0 EEADMM Fc1cccc(OC[C@H]2CC[C@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001606328755 1351293218 /nfs/dbraw/zinc/29/32/18/1351293218.db2.gz HFFUZDOUMXAMQA-GMSGAONNSA-N -1 1 332.257 2.495 20 0 EEADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606491707 1351311758 /nfs/dbraw/zinc/31/17/58/1351311758.db2.gz IYENSUACVGHJFY-WFASDCNBSA-N -1 1 348.357 2.094 20 0 EEADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606491707 1351311763 /nfs/dbraw/zinc/31/17/63/1351311763.db2.gz IYENSUACVGHJFY-WFASDCNBSA-N -1 1 348.357 2.094 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606706167 1351344311 /nfs/dbraw/zinc/34/43/11/1351344311.db2.gz YNBYFSLNGZOAGS-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606706167 1351344314 /nfs/dbraw/zinc/34/43/14/1351344314.db2.gz YNBYFSLNGZOAGS-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccsc1-c1nnn[n-]1 ZINC001606720643 1351346406 /nfs/dbraw/zinc/34/64/06/1351346406.db2.gz YPDRGCDUFCWQIM-MGPQQGTHSA-N -1 1 337.408 2.244 20 0 EEADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccsc1-c1nn[n-]n1 ZINC001606720643 1351346407 /nfs/dbraw/zinc/34/64/07/1351346407.db2.gz YPDRGCDUFCWQIM-MGPQQGTHSA-N -1 1 337.408 2.244 20 0 EEADMM O=C(NCCc1ccc(Cl)s1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606794578 1351357654 /nfs/dbraw/zinc/35/76/54/1351357654.db2.gz LJRWOYDRNAJKNF-UHFFFAOYSA-N -1 1 349.807 2.341 20 0 EEADMM O=C(NCCc1ccc(Cl)s1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606794578 1351357659 /nfs/dbraw/zinc/35/76/59/1351357659.db2.gz LJRWOYDRNAJKNF-UHFFFAOYSA-N -1 1 349.807 2.341 20 0 EEADMM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606929138 1351378816 /nfs/dbraw/zinc/37/88/16/1351378816.db2.gz OSSYIVVKRBBAEH-CYBMUJFWSA-N -1 1 339.355 2.472 20 0 EEADMM O=C(Nc1nc2c(s1)CCC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606949503 1351382866 /nfs/dbraw/zinc/38/28/66/1351382866.db2.gz PFJMFULJRSSGRZ-UHFFFAOYSA-N -1 1 348.338 2.342 20 0 EEADMM O=C(Nc1nc2c(s1)CCC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606949503 1351382868 /nfs/dbraw/zinc/38/28/68/1351382868.db2.gz PFJMFULJRSSGRZ-UHFFFAOYSA-N -1 1 348.338 2.342 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N(CC(F)F)C1CCC1 ZINC001607016144 1351397457 /nfs/dbraw/zinc/39/74/57/1351397457.db2.gz YOTFHFDLGNEYHH-UHFFFAOYSA-N -1 1 342.737 2.175 20 0 EEADMM OCC1(CCNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCC1 ZINC001607101501 1351419158 /nfs/dbraw/zinc/41/91/58/1351419158.db2.gz LYNOZIWUZFIMJS-UHFFFAOYSA-N -1 1 342.325 2.245 20 0 EEADMM OCC1(CCNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCC1 ZINC001607101501 1351419159 /nfs/dbraw/zinc/41/91/59/1351419159.db2.gz LYNOZIWUZFIMJS-UHFFFAOYSA-N -1 1 342.325 2.245 20 0 EEADMM c1cn2cccc(-c3noc(-c4ccc(-c5nnn[n-]5)s4)n3)c2n1 ZINC001607117463 1351425396 /nfs/dbraw/zinc/42/53/96/1351425396.db2.gz NIRSLYNZPOECDM-UHFFFAOYSA-N -1 1 336.340 2.293 20 0 EEADMM c1cn2cccc(-c3noc(-c4ccc(-c5nn[n-]n5)s4)n3)c2n1 ZINC001607117463 1351425400 /nfs/dbraw/zinc/42/54/00/1351425400.db2.gz NIRSLYNZPOECDM-UHFFFAOYSA-N -1 1 336.340 2.293 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)[C@H]3CCOC[C@H]23)cc1 ZINC001607129048 1351431284 /nfs/dbraw/zinc/43/12/84/1351431284.db2.gz JFIZSVQMMWSMIF-UXLLHSPISA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)[C@H]3CCOC[C@H]23)cc1 ZINC001607129048 1351431288 /nfs/dbraw/zinc/43/12/88/1351431288.db2.gz JFIZSVQMMWSMIF-UXLLHSPISA-N -1 1 348.410 2.271 20 0 EEADMM COc1ccc(-c2cc(CN[C@H](C(=O)[O-])C3CCOCC3)on2)cc1 ZINC001607195914 1351447199 /nfs/dbraw/zinc/44/71/99/1351447199.db2.gz XWDREMQAFVAFEM-KRWDZBQOSA-N -1 1 346.383 2.320 20 0 EEADMM COc1ccc([C@H](NC(=O)c2ccc3cncn3c2C)C(=O)[O-])cc1 ZINC001607226650 1351453350 /nfs/dbraw/zinc/45/33/50/1351453350.db2.gz AJPCXAGGCCLREB-INIZCTEOSA-N -1 1 339.351 2.207 20 0 EEADMM COc1cccc(C(=O)NCCN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001607304965 1351469548 /nfs/dbraw/zinc/46/95/48/1351469548.db2.gz QJWBYEAXDBTOSV-LLVKDONJSA-N -1 1 332.356 2.067 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001607338731 1351478101 /nfs/dbraw/zinc/47/81/01/1351478101.db2.gz VOBCRMQGVDQNMP-HZSPNIEDSA-N -1 1 334.416 2.058 20 0 EEADMM Cc1cccc2c(CC(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c[nH]c21 ZINC001607864723 1351574349 /nfs/dbraw/zinc/57/43/49/1351574349.db2.gz MKDVFABFIBLRNZ-CQSZACIVSA-N -1 1 343.427 2.026 20 0 EEADMM O=C([O-])[C@]1(C(F)(F)F)CCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001608327380 1351671534 /nfs/dbraw/zinc/67/15/34/1351671534.db2.gz GTLZDHSBIQGCOF-HNNXBMFYSA-N -1 1 348.365 2.259 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2O)nc1C1CC1 ZINC001608465193 1351700330 /nfs/dbraw/zinc/70/03/30/1351700330.db2.gz TZUQISSHRYHAIZ-UHFFFAOYSA-N -1 1 330.315 2.432 20 0 EEADMM CSc1nc(CNC(=O)C(C)(C)Oc2ccccc2)cc(=O)[n-]1 ZINC001646137776 1352817673 /nfs/dbraw/zinc/81/76/73/1352817673.db2.gz SJIFBGWTCSRKSM-UHFFFAOYSA-N -1 1 333.413 2.378 20 0 EEADMM CCS(=O)(=O)C1CCN([C@H](C(=O)[O-])c2ccccc2C)CC1 ZINC001647252644 1353207700 /nfs/dbraw/zinc/20/77/00/1353207700.db2.gz FQTSXPJYLVZZJF-HNNXBMFYSA-N -1 1 325.430 2.020 20 0 EEADMM C[C@H](CN(C)C(=O)C(F)(F)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001649755768 1353586624 /nfs/dbraw/zinc/58/66/24/1353586624.db2.gz DEIDGFDTUHZGGH-MRVPVSSYSA-N -1 1 329.738 2.207 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)c1c(C)n[nH]c1C ZINC001649936684 1353655557 /nfs/dbraw/zinc/65/55/57/1353655557.db2.gz KQEVXXNFDOMAIJ-VIFPVBQESA-N -1 1 345.371 2.353 20 0 EEADMM CC(C)c1noc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000068937560 1354135825 /nfs/dbraw/zinc/13/58/25/1354135825.db2.gz HIJXOAIWZWUTLS-UHFFFAOYSA-N -1 1 349.334 2.131 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3[nH]ccc32)o1 ZINC001656602363 1354251430 /nfs/dbraw/zinc/25/14/30/1354251430.db2.gz IRXCRCHCWYLLSD-UHFFFAOYSA-N -1 1 334.353 2.026 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346119647 1368138025 /nfs/dbraw/zinc/13/80/25/1368138025.db2.gz IXCCCOLQWNBMGK-HNNXBMFYSA-N -1 1 345.403 2.455 20 0 EEADMM O=C(N[C@H]1CCOc2c(F)cc(F)cc21)c1n[n-]nc1C(F)(F)F ZINC001187773237 1368262718 /nfs/dbraw/zinc/26/27/18/1368262718.db2.gz BEPINUIZNUZPMS-QMMMGPOBSA-N -1 1 348.231 2.355 20 0 EEADMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190183022 1368399201 /nfs/dbraw/zinc/39/92/01/1368399201.db2.gz HBUQDFDIFBRURK-UHFFFAOYSA-N -1 1 327.356 2.222 20 0 EEADMM CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1cccnc1Cl ZINC001195590614 1368555059 /nfs/dbraw/zinc/55/50/59/1368555059.db2.gz XGOBQPHYFJEYTG-UHFFFAOYSA-N -1 1 341.776 2.108 20 0 EEADMM Cc1coc(C)c1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001488777963 1369066469 /nfs/dbraw/zinc/06/64/69/1369066469.db2.gz DBGVGKNUCWCBPC-NWDGAFQWSA-N -1 1 345.399 2.324 20 0 EEADMM O=C([N-]OC/C=C\Cl)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000861783475 1369509342 /nfs/dbraw/zinc/50/93/42/1369509342.db2.gz XEXFIRFDPPOPID-LVXRCVOFSA-N -1 1 330.718 2.118 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCc2cccs2)C1 ZINC000830841483 1372353253 /nfs/dbraw/zinc/35/32/53/1372353253.db2.gz PJDKNVBFYIXLHP-CYBMUJFWSA-N -1 1 334.363 2.350 20 0 EEADMM O=C(/C=C/Sc1ccccc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831117013 1372364618 /nfs/dbraw/zinc/36/46/18/1372364618.db2.gz IMPIHBOLURYRMC-VOTSOKGWSA-N -1 1 344.358 2.429 20 0 EEADMM COc1cc(O[C@@H]2CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)C2)ccn1 ZINC001140499634 1372588177 /nfs/dbraw/zinc/58/81/77/1372588177.db2.gz SNDYMXXOJJVFOP-CQSZACIVSA-N -1 1 345.399 2.387 20 0 EEADMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CO1 ZINC000849413753 1373256634 /nfs/dbraw/zinc/25/66/34/1373256634.db2.gz PIFMXPOZMFRNCQ-SSDOTTSWSA-N -1 1 325.217 2.234 20 0 EEADMM CCOC(=O)[C@@H](NC(=O)c1cccc([O-])c1F)c1cccc(O)c1 ZINC001362516887 1373426750 /nfs/dbraw/zinc/42/67/50/1373426750.db2.gz FDWPRIIVVYAKNE-HNNXBMFYSA-N -1 1 333.315 2.271 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001362717036 1373454535 /nfs/dbraw/zinc/45/45/35/1373454535.db2.gz SJYUYZIWDJONCL-SCZZXKLOSA-N -1 1 345.350 2.294 20 0 EEADMM CS[C@H](C)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001363465985 1373522286 /nfs/dbraw/zinc/52/22/86/1373522286.db2.gz JTQVXHNKYTVKMO-UTLUCORTSA-N -1 1 326.384 2.186 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCc2cc(C)ccc2F)c1 ZINC001364848378 1373620290 /nfs/dbraw/zinc/62/02/90/1373620290.db2.gz FBOCTAVMJFKWSG-UHFFFAOYSA-N -1 1 339.388 2.369 20 0 EEADMM CC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)CCCCC1 ZINC001372422481 1375994559 /nfs/dbraw/zinc/99/45/59/1375994559.db2.gz IJPRNMQBCQMPFC-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001372484130 1376033225 /nfs/dbraw/zinc/03/32/25/1376033225.db2.gz IBZIXZMNOZXRMM-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C1CCC1)C1CCC1 ZINC001372830367 1376233901 /nfs/dbraw/zinc/23/39/01/1376233901.db2.gz FRNMPDNBQIHZFE-LBPRGKRZSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(Cl)cs1 ZINC001372838866 1376237678 /nfs/dbraw/zinc/23/76/78/1376237678.db2.gz XSZADZBTVUGQDQ-QMMMGPOBSA-N -1 1 339.804 2.050 20 0 EEADMM CC[C@H](C)CCC(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373067006 1376385461 /nfs/dbraw/zinc/38/54/61/1376385461.db2.gz VHJAMRRAJLDSSJ-RYUDHWBXSA-N -1 1 348.447 2.120 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cc(C)c1 ZINC001375056906 1377324760 /nfs/dbraw/zinc/32/47/60/1377324760.db2.gz CSXVRJGMLJYCCS-HNNXBMFYSA-N -1 1 341.411 2.342 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc[nH]c1C(C)C ZINC001375060662 1377329255 /nfs/dbraw/zinc/32/92/55/1377329255.db2.gz RGDKBFYNSXDBET-GFCCVEGCSA-N -1 1 344.415 2.177 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(C)cc1F)NC(=O)c1ncccc1[O-] ZINC001375261765 1377556256 /nfs/dbraw/zinc/55/62/56/1377556256.db2.gz XTWFOKFSMVZBPD-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM O=C(NCC1(NC(=O)C2CC3(CC3)C2)CCCC1)c1ncccc1[O-] ZINC001375320497 1377616982 /nfs/dbraw/zinc/61/69/82/1377616982.db2.gz NQGFZJCLMOEMKB-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM CC(C)C[C@@H](C)CN1CC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001377932571 1379576625 /nfs/dbraw/zinc/57/66/25/1379576625.db2.gz MTHWRCKRFPWPLM-LLVKDONJSA-N -1 1 332.404 2.025 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001378446060 1379974315 /nfs/dbraw/zinc/97/43/15/1379974315.db2.gz TVQOOIXQRKWRIL-IHRRRGAJSA-N -1 1 337.468 2.101 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCC1 ZINC001382646243 1382163903 /nfs/dbraw/zinc/16/39/03/1382163903.db2.gz GAKYYTPMFINYKQ-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)CCC(=O)NC1CC2(C1)CC(NC(=O)c1ncccc1[O-])C2 ZINC001385094479 1385368503 /nfs/dbraw/zinc/36/85/03/1385368503.db2.gz PGGJZXPYHRVDNZ-UHFFFAOYSA-N -1 1 345.443 2.381 20 0 EEADMM CCCN(CCNC(=O)[C@@H](C)C1CCC1)C(=O)c1ncccc1[O-] ZINC001387431949 1386729272 /nfs/dbraw/zinc/72/92/72/1386729272.db2.gz XGADLCHQTQTDFS-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)C[C@@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ncccc1[O-] ZINC001391390113 1389337309 /nfs/dbraw/zinc/33/73/09/1389337309.db2.gz FBSIXOZSXYSFAS-BIENJYKASA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H](NC(=O)[C@@H](C)C1CC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001396165318 1390915272 /nfs/dbraw/zinc/91/52/72/1390915272.db2.gz PFUGLNSAPAGZJT-QWHCGFSZSA-N -1 1 345.443 2.190 20 0 EEADMM CCC1(C(=O)N(C)C2CC(NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001396198387 1390921878 /nfs/dbraw/zinc/92/18/78/1390921878.db2.gz KJYCZPPHWSZXSW-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM CCCN(C(=O)[C@H]1CC1(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398432661 1392664308 /nfs/dbraw/zinc/66/43/08/1392664308.db2.gz XVNMQMVYVIBPLX-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CCCC[C@H](CN[C@H](C)c1noc(C)n1)NC(=O)c1ncccc1[O-] ZINC001403282434 1399732183 /nfs/dbraw/zinc/73/21/83/1399732183.db2.gz TUTNQZXKPKXBKC-DGCLKSJQSA-N -1 1 347.419 2.118 20 0 EEADMM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001424235551 1400984834 /nfs/dbraw/zinc/98/48/34/1400984834.db2.gz CFLTXOPCLRCLPZ-RYUDHWBXSA-N -1 1 343.449 2.081 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425714270 1401755100 /nfs/dbraw/zinc/75/51/00/1401755100.db2.gz SHGJNFWXHTZPQQ-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC1(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001426619424 1402120838 /nfs/dbraw/zinc/12/08/38/1402120838.db2.gz WGTYIPXMRURELO-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCCC(=O)N1CC[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001428071767 1402608718 /nfs/dbraw/zinc/60/87/18/1402608718.db2.gz PDEQEFVPYVGBEE-ZDUSSCGKSA-N -1 1 348.447 2.135 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)CC2CCC2)C1 ZINC001434307099 1403472397 /nfs/dbraw/zinc/47/23/97/1403472397.db2.gz SYILKKPZHLUTOW-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CC[C@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@@H]1CC1(C)C ZINC001576972829 1403616697 /nfs/dbraw/zinc/61/66/97/1403616697.db2.gz BUMYTFPIDPUKNS-RYUDHWBXSA-N -1 1 345.407 2.217 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001578527730 1403768464 /nfs/dbraw/zinc/76/84/64/1403768464.db2.gz XZNZBHXSRSFWKW-LBPRGKRZSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001578527730 1403768467 /nfs/dbraw/zinc/76/84/67/1403768467.db2.gz XZNZBHXSRSFWKW-LBPRGKRZSA-N -1 1 339.355 2.276 20 0 EEADMM COc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1Cl ZINC001580064387 1403819429 /nfs/dbraw/zinc/81/94/29/1403819429.db2.gz OOLORDJMWJZABM-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1Cl ZINC001580064387 1403819440 /nfs/dbraw/zinc/81/94/40/1403819440.db2.gz OOLORDJMWJZABM-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1ncc(NC(=O)[C@@H](C)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001580138716 1403834324 /nfs/dbraw/zinc/83/43/24/1403834324.db2.gz OTOVPMTZHYJINB-NSHDSACASA-N -1 1 338.371 2.088 20 0 EEADMM Cc1ccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C)c1 ZINC001581207276 1403877107 /nfs/dbraw/zinc/87/71/07/1403877107.db2.gz KWTUYYPCLHUULZ-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM Cc1ccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C)c1 ZINC001581207276 1403877112 /nfs/dbraw/zinc/87/71/12/1403877112.db2.gz KWTUYYPCLHUULZ-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM COc1cc(OC)cc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001591552299 1403925759 /nfs/dbraw/zinc/92/57/59/1403925759.db2.gz CCLPCCXRUOYTAC-SECBINFHSA-N -1 1 344.327 2.395 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)COCC2CCCCC2)n1 ZINC001591891220 1403970291 /nfs/dbraw/zinc/97/02/91/1403970291.db2.gz OMQGBRHNLYBVDD-LBPRGKRZSA-N -1 1 331.424 2.362 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)COCC2CCCCC2)n1 ZINC001591891220 1403970296 /nfs/dbraw/zinc/97/02/96/1403970296.db2.gz OMQGBRHNLYBVDD-LBPRGKRZSA-N -1 1 331.424 2.362 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC001591946409 1403973628 /nfs/dbraw/zinc/97/36/28/1403973628.db2.gz LQKYYWOKROYCCB-UHFFFAOYSA-N -1 1 339.403 2.015 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC001591946409 1403973634 /nfs/dbraw/zinc/97/36/34/1403973634.db2.gz LQKYYWOKROYCCB-UHFFFAOYSA-N -1 1 339.403 2.015 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1O ZINC001591977284 1403978771 /nfs/dbraw/zinc/97/87/71/1403978771.db2.gz WITPALKYWJNPHO-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1O ZINC001591977284 1403978775 /nfs/dbraw/zinc/97/87/75/1403978775.db2.gz WITPALKYWJNPHO-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1ccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(O)c1 ZINC001592128301 1404001049 /nfs/dbraw/zinc/00/10/49/1404001049.db2.gz VEPBSGPZDRJPLT-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1ccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(O)c1 ZINC001592128301 1404001055 /nfs/dbraw/zinc/00/10/55/1404001055.db2.gz VEPBSGPZDRJPLT-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1nsc(NCCCN(C)C(=O)C2=CCCC2)c1-c1nn[n-]n1 ZINC001592489649 1404700987 /nfs/dbraw/zinc/70/09/87/1404700987.db2.gz BVZBLZLLZMQEAN-UHFFFAOYSA-N -1 1 347.448 2.002 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H](C)CC(F)F)c1-c1nnn[n-]1 ZINC001592481759 1404701589 /nfs/dbraw/zinc/70/15/89/1404701589.db2.gz VLCCMVVVJDNSJI-YFKPBYRVSA-N -1 1 331.352 2.044 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H](C)CC(F)F)c1-c1nn[n-]n1 ZINC001592481759 1404701596 /nfs/dbraw/zinc/70/15/96/1404701596.db2.gz VLCCMVVVJDNSJI-YFKPBYRVSA-N -1 1 331.352 2.044 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1-c1nnn[n-]1 ZINC001592480430 1404701732 /nfs/dbraw/zinc/70/17/32/1404701732.db2.gz MDGPFTGPPOSQJJ-NXEZZACHSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1-c1nn[n-]n1 ZINC001592480430 1404701736 /nfs/dbraw/zinc/70/17/36/1404701736.db2.gz MDGPFTGPPOSQJJ-NXEZZACHSA-N -1 1 333.421 2.428 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001593032658 1404738549 /nfs/dbraw/zinc/73/85/49/1404738549.db2.gz BTFVWSOKIPCIPP-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001593032658 1404738553 /nfs/dbraw/zinc/73/85/53/1404738553.db2.gz BTFVWSOKIPCIPP-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCCc1ccc(Cl)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593105339 1404743609 /nfs/dbraw/zinc/74/36/09/1404743609.db2.gz YWBNUCMKVPLBJS-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=C(NCCc1ccc(Cl)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593105339 1404743614 /nfs/dbraw/zinc/74/36/14/1404743614.db2.gz YWBNUCMKVPLBJS-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM CN(CCc1nc(-c2ccccc2)no1)Cc1oncc1C(=O)[O-] ZINC001606140954 1404766008 /nfs/dbraw/zinc/76/60/08/1404766008.db2.gz GDQOTBZZZNYGKE-UHFFFAOYSA-N -1 1 328.328 2.097 20 0 EEADMM Cc1nsc(NC(=O)C(C)(C)Oc2ccccc2)c1-c1nnn[n-]1 ZINC001606148735 1404769369 /nfs/dbraw/zinc/76/93/69/1404769369.db2.gz SQIXDHAELOIFOB-UHFFFAOYSA-N -1 1 344.400 2.428 20 0 EEADMM Cc1nsc(NC(=O)C(C)(C)Oc2ccccc2)c1-c1nn[n-]n1 ZINC001606148735 1404769372 /nfs/dbraw/zinc/76/93/72/1404769372.db2.gz SQIXDHAELOIFOB-UHFFFAOYSA-N -1 1 344.400 2.428 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@H](c2ncon2)C1 ZINC001645207909 1404825167 /nfs/dbraw/zinc/82/51/67/1404825167.db2.gz LPNJRWAONRWJBU-NSHDSACASA-N -1 1 325.324 2.264 20 0 EEADMM CCOC(=O)C[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001645981130 1404873282 /nfs/dbraw/zinc/87/32/82/1404873282.db2.gz RVXJMCBWCVVKKI-CYBMUJFWSA-N -1 1 328.368 2.498 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C[C@@H]1C1CC1 ZINC000261978810 1405809748 /nfs/dbraw/zinc/80/97/48/1405809748.db2.gz BXGCYYXQOPTJNK-MNOVXSKESA-N -1 1 331.397 2.321 20 0 EEADMM CC(C)=C(F)C(=O)N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001756693861 1409211320 /nfs/dbraw/zinc/21/13/20/1409211320.db2.gz PECYYONNMINDIZ-UHFFFAOYSA-N -1 1 337.395 2.360 20 0 EEADMM Cc1cc(C)nc(N[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)n1 ZINC001069559506 1411060571 /nfs/dbraw/zinc/06/05/71/1411060571.db2.gz FEWRCNTWOMCPEH-CQSZACIVSA-N -1 1 341.415 2.157 20 0 EEADMM Cc1ccc(C(C)(C)NC(=O)c2ccc3n[n-]c(=S)n3c2)cn1 ZINC000846655113 790315051 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c1ccc2oc([C@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)nc2c1 ZINC000738441676 578015370 /nfs/dbraw/zinc/01/53/70/578015370.db2.gz LSXBMHBCGDVQFL-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](CCO)C1 ZINC000738520035 578017968 /nfs/dbraw/zinc/01/79/68/578017968.db2.gz UNTOHHZXAYYZHD-KBPBESRZSA-N -1 1 334.416 2.115 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738011098 576095807 /nfs/dbraw/zinc/09/58/07/576095807.db2.gz KAVBVMCQCQATQK-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738011098 576095808 /nfs/dbraw/zinc/09/58/08/576095808.db2.gz KAVBVMCQCQATQK-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM CC(C)CCC(=O)NCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000728734301 576521403 /nfs/dbraw/zinc/52/14/03/576521403.db2.gz GARNXPCRNQIVMA-UHFFFAOYSA-N -1 1 347.367 2.094 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000733321765 577222435 /nfs/dbraw/zinc/22/24/35/577222435.db2.gz 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/nfs/dbraw/zinc/50/10/76/577501076.db2.gz JZHNGERMYJNBKY-UHFFFAOYSA-N -1 1 328.372 2.244 20 0 EEADMM Cc1ccc(C(C)C)c(OCCC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765500077 577502095 /nfs/dbraw/zinc/50/20/95/577502095.db2.gz BDPIMCFSZZXJRU-UHFFFAOYSA-N -1 1 333.388 2.053 20 0 EEADMM C[C@@H](Cc1ccccc1)n1cccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765504171 577502102 /nfs/dbraw/zinc/50/21/02/577502102.db2.gz UALKKTOWZIXPBJ-ZDUSSCGKSA-N -1 1 340.383 2.071 20 0 EEADMM O=C([O-])c1ccc(NC(=O)c2nnc3ccccc3c2O)cc1F ZINC000767206156 577532423 /nfs/dbraw/zinc/53/24/23/577532423.db2.gz OJMNYKPKQSLAJO-UHFFFAOYSA-N -1 1 327.271 2.425 20 0 EEADMM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000770838539 577604568 /nfs/dbraw/zinc/60/45/68/577604568.db2.gz XZJGZSMBDDZOLS-ZFWWWQNUSA-N -1 1 335.787 2.260 20 0 EEADMM CCOc1cc(C(=O)NCCNc2ncccn2)cc(Cl)c1[O-] ZINC000762583679 577703672 /nfs/dbraw/zinc/70/36/72/577703672.db2.gz CMQUTSVDONNEOP-UHFFFAOYSA-N -1 1 336.779 2.076 20 0 EEADMM CCOc1cc(C(=O)NC[C@H](O)c2ccncc2)cc(Cl)c1[O-] ZINC000762619577 577704664 /nfs/dbraw/zinc/70/46/64/577704664.db2.gz KNKVCMULGAFJPZ-ZDUSSCGKSA-N -1 1 336.775 2.303 20 0 EEADMM C/C=C(\C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000750898041 577744774 /nfs/dbraw/zinc/74/47/74/577744774.db2.gz UNXSMQMJKJSAJP-YCRREMRBSA-N -1 1 327.283 2.054 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)c1Cl ZINC000742311337 577870874 /nfs/dbraw/zinc/87/08/74/577870874.db2.gz AVKXBVSQIKFPEA-SMDDNHRTSA-N -1 1 325.821 2.082 20 0 EEADMM CCN(CCc1ccccn1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000747368518 577943075 /nfs/dbraw/zinc/94/30/75/577943075.db2.gz JFPZZYDTDPSFME-UHFFFAOYSA-N -1 1 332.429 2.312 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(F)c(F)cc1F ZINC000747592666 577946652 /nfs/dbraw/zinc/94/66/52/577946652.db2.gz RACXNTVHUQXFNL-CYBMUJFWSA-N -1 1 333.273 2.136 20 0 EEADMM CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000748313124 577959178 /nfs/dbraw/zinc/95/91/78/577959178.db2.gz XXZXWIDJZQKARN-UHFFFAOYSA-N -1 1 325.368 2.044 20 0 EEADMM COCCO[N-]C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000748770527 577966615 /nfs/dbraw/zinc/96/66/15/577966615.db2.gz YGYGNHYIEDUSLO-UHFFFAOYSA-N -1 1 335.429 2.095 20 0 EEADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)[N-]OCCOC)CC1=O ZINC000748771192 577966626 /nfs/dbraw/zinc/96/66/26/577966626.db2.gz KMWSHHGOJITVFU-ZIAGYGMSSA-N -1 1 334.416 2.247 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738770250 578026289 /nfs/dbraw/zinc/02/62/89/578026289.db2.gz YGUYTZYGDGVWNN-WBVHZDCISA-N -1 1 344.455 2.229 20 0 EEADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(Cl)ccc2F)c1C(=O)[O-] ZINC000738829243 578028047 /nfs/dbraw/zinc/02/80/47/578028047.db2.gz NMPBHLJPWRWZPP-UHFFFAOYSA-N -1 1 333.728 2.010 20 0 EEADMM O=C([O-])[C@H]1CCCN(Cc2cn3cc(Br)ccc3n2)C1 ZINC000739583838 578059320 /nfs/dbraw/zinc/05/93/20/578059320.db2.gz XKRNTCUQPHMPAZ-JTQLQIEISA-N -1 1 338.205 2.393 20 0 EEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000740145388 578082748 /nfs/dbraw/zinc/08/27/48/578082748.db2.gz QXMHFHBOVMPIGE-UHFFFAOYSA-N -1 1 335.316 2.201 20 0 EEADMM Brc1csc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC000735376076 578150418 /nfs/dbraw/zinc/15/04/18/578150418.db2.gz WGSFHSLXWHFRBK-UHFFFAOYSA-N -1 1 326.183 2.026 20 0 EEADMM Brc1csc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC000735376076 578150419 /nfs/dbraw/zinc/15/04/19/578150419.db2.gz WGSFHSLXWHFRBK-UHFFFAOYSA-N -1 1 326.183 2.026 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2nccnc2-c2nnn[n-]2)c1 ZINC000735652378 578162694 /nfs/dbraw/zinc/16/26/94/578162694.db2.gz IOPMLZZKRUVNRU-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2nccnc2-c2nn[n-]n2)c1 ZINC000735652378 578162695 /nfs/dbraw/zinc/16/26/95/578162695.db2.gz IOPMLZZKRUVNRU-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)COc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000735844004 578170935 /nfs/dbraw/zinc/17/09/35/578170935.db2.gz DXUAOWYACCULLV-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000735844004 578170936 /nfs/dbraw/zinc/17/09/36/578170936.db2.gz DXUAOWYACCULLV-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)Oc1ccc([C@@H](O)CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735915199 578173758 /nfs/dbraw/zinc/17/37/58/578173758.db2.gz LIQQMSZVGDZTFV-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1ccc([C@@H](O)CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735915199 578173759 /nfs/dbraw/zinc/17/37/59/578173759.db2.gz LIQQMSZVGDZTFV-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)(NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000736339703 578197257 /nfs/dbraw/zinc/19/72/57/578197257.db2.gz OXWARSOVOHQALD-UHFFFAOYSA-N -1 1 342.399 2.141 20 0 EEADMM C[C@H](CN(CN1C(=O)OC[C@@H]1Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000736578180 578212617 /nfs/dbraw/zinc/21/26/17/578212617.db2.gz ISFNDAKPMWTLOB-CJNGLKHVSA-N -1 1 332.400 2.193 20 0 EEADMM C[C@@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N1[C@H](C)CC[C@H]1C ZINC000736760297 578222156 /nfs/dbraw/zinc/22/21/56/578222156.db2.gz BYGFPHCRSRRKNJ-UPJWGTAASA-N -1 1 345.399 2.337 20 0 EEADMM CC[C@@](C)(NCC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000736861177 578227198 /nfs/dbraw/zinc/22/71/98/578227198.db2.gz HDFUPNRMSYCJFY-SJLPKXTDSA-N -1 1 336.432 2.351 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000736878538 578228086 /nfs/dbraw/zinc/22/80/86/578228086.db2.gz MDSGGXFFGAXGNF-DNUAJFIVSA-N -1 1 332.444 2.480 20 0 EEADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C(C)C ZINC000737068768 578236171 /nfs/dbraw/zinc/23/61/71/578236171.db2.gz DVOLDXXZDJBIAE-UHFFFAOYSA-N -1 1 342.417 2.210 20 0 EEADMM CCN1CCN(C2CCN(Cc3ccc(F)cc3C(=O)[O-])CC2)C1=O ZINC000737115661 578239067 /nfs/dbraw/zinc/23/90/67/578239067.db2.gz OVRXWQBRTPQOQG-UHFFFAOYSA-N -1 1 349.406 2.246 20 0 EEADMM Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@](C)(O)c2ccsc2)[nH+]1 ZINC000737241093 578245599 /nfs/dbraw/zinc/24/55/99/578245599.db2.gz PECLDRCLQABHCD-OAHLLOKOSA-N -1 1 330.417 2.260 20 0 EEADMM Cc1ccc([C@@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737319403 578250108 /nfs/dbraw/zinc/25/01/08/578250108.db2.gz HKXVPJHGHGRCNO-HNNXBMFYSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccc([C@@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737319403 578250109 /nfs/dbraw/zinc/25/01/09/578250109.db2.gz HKXVPJHGHGRCNO-HNNXBMFYSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccc([C@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737319405 578250149 /nfs/dbraw/zinc/25/01/49/578250149.db2.gz HKXVPJHGHGRCNO-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccc([C@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737319405 578250150 /nfs/dbraw/zinc/25/01/50/578250150.db2.gz HKXVPJHGHGRCNO-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nnn[n-]1)CC3 ZINC000737372544 578253383 /nfs/dbraw/zinc/25/33/83/578253383.db2.gz FFBVIUKTRXOQIF-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nn[n-]n1)CC3 ZINC000737372544 578253384 /nfs/dbraw/zinc/25/33/84/578253384.db2.gz FFBVIUKTRXOQIF-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1cccc2c(CCC(=O)N3CCC(c4nn[n-]n4)CC3)c[nH]c21 ZINC000737408643 578255745 /nfs/dbraw/zinc/25/57/45/578255745.db2.gz JIAPHUBTEAJGMU-UHFFFAOYSA-N -1 1 338.415 2.328 20 0 EEADMM CN(CCCNC(=O)CNC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000737439588 578257539 /nfs/dbraw/zinc/25/75/39/578257539.db2.gz XPESSAPPJQEDFR-UHFFFAOYSA-N -1 1 347.459 2.006 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738002908 578276146 /nfs/dbraw/zinc/27/61/46/578276146.db2.gz UOZQJAMKFWOBOG-GFCCVEGCSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738002908 578276147 /nfs/dbraw/zinc/27/61/47/578276147.db2.gz UOZQJAMKFWOBOG-GFCCVEGCSA-N -1 1 348.288 2.295 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3nccnc3-c3nnn[n-]3)c2c1 ZINC000822581134 599066040 /nfs/dbraw/zinc/06/60/40/599066040.db2.gz BSFJVIOGRYWIER-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3nccnc3-c3nn[n-]n3)c2c1 ZINC000822581134 599066042 /nfs/dbraw/zinc/06/60/42/599066042.db2.gz BSFJVIOGRYWIER-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)n[nH]1 ZINC000820061369 597511066 /nfs/dbraw/zinc/51/10/66/597511066.db2.gz GIKNCICVNATKMM-SNVBAGLBSA-N -1 1 331.376 2.438 20 0 EEADMM C[C@H](N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000820307379 599335339 /nfs/dbraw/zinc/33/53/39/599335339.db2.gz MHGWLBVBQKWQGP-VIFPVBQESA-N -1 1 341.412 2.061 20 0 EEADMM C[C@H](N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000820307379 599335341 /nfs/dbraw/zinc/33/53/41/599335341.db2.gz MHGWLBVBQKWQGP-VIFPVBQESA-N -1 1 341.412 2.061 20 0 EEADMM CC[C@@](C)(NCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000094228616 600560236 /nfs/dbraw/zinc/56/02/36/600560236.db2.gz AIKWCVOCGXJCPL-CYBMUJFWSA-N -1 1 329.194 2.231 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CNC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000828718359 600998407 /nfs/dbraw/zinc/99/84/07/600998407.db2.gz LZRCVTMVYGGICQ-BLLLJJGKSA-N -1 1 336.432 2.135 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC000828718650 601157635 /nfs/dbraw/zinc/15/76/35/601157635.db2.gz NHFATJSTOKGEAB-DZGCQCFKSA-N -1 1 342.505 2.354 20 0 EEADMM COC(=O)c1ccc(N2CCN(C/C=C(/C)C(=O)[O-])[C@H](C)C2)cc1 ZINC000831391455 601161826 /nfs/dbraw/zinc/16/18/26/601161826.db2.gz ZGDIDQNJTBLANY-YLHGKKIISA-N -1 1 332.400 2.015 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@]2(CCCOC2)C1 ZINC000833105142 601355455 /nfs/dbraw/zinc/35/54/55/601355455.db2.gz IVUOSGLAJOGYLQ-GOSISDBHSA-N -1 1 332.400 2.216 20 0 EEADMM Cc1ccc2nc(NC(=O)CN3C[C@@H](C)[C@H](C(=O)[O-])C3)sc2c1 ZINC000832960492 601530417 /nfs/dbraw/zinc/53/04/17/601530417.db2.gz QSESYSIUBCTRQR-GHMZBOCLSA-N -1 1 333.413 2.196 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000826496423 607528667 /nfs/dbraw/zinc/52/86/67/607528667.db2.gz WDQGDBYKVNKXNI-QFIPXVFZSA-N -1 1 337.767 2.362 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000826496423 607528668 /nfs/dbraw/zinc/52/86/68/607528668.db2.gz WDQGDBYKVNKXNI-QFIPXVFZSA-N -1 1 337.767 2.362 20 0 EEADMM CC(C)[C@H](NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000827635901 601825222 /nfs/dbraw/zinc/82/52/22/601825222.db2.gz IFRFXYNLQWCCBF-UGSOOPFHSA-N -1 1 332.444 2.441 20 0 EEADMM CC(C)(C)c1cnc([S@](=O)Cc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000824136438 607529100 /nfs/dbraw/zinc/52/91/00/607529100.db2.gz RDUFDOBATGHOOY-HSZRJFAPSA-N -1 1 348.457 2.324 20 0 EEADMM CC(C)(C)c1cnc([S@](=O)Cc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000824136438 607529101 /nfs/dbraw/zinc/52/91/01/607529101.db2.gz RDUFDOBATGHOOY-HSZRJFAPSA-N -1 1 348.457 2.324 20 0 EEADMM CC[C@H](C)CN(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828746644 601876368 /nfs/dbraw/zinc/87/63/68/601876368.db2.gz GZOJBZATORRVPP-LBPRGKRZSA-N -1 1 333.388 2.089 20 0 EEADMM CCc1cc2c(C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224145 601940931 /nfs/dbraw/zinc/94/09/31/601940931.db2.gz GGJJETGDHMKVAK-GOSISDBHSA-N -1 1 331.368 2.358 20 0 EEADMM CCc1cc2c(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224145 601940935 /nfs/dbraw/zinc/94/09/35/601940935.db2.gz GGJJETGDHMKVAK-GOSISDBHSA-N -1 1 331.368 2.358 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(Br)cc2)C1 ZINC000062936315 601949566 /nfs/dbraw/zinc/94/95/66/601949566.db2.gz ZUEMFEFLACLBFU-CQSZACIVSA-N -1 1 341.205 2.184 20 0 EEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000832225639 602018693 /nfs/dbraw/zinc/01/86/93/602018693.db2.gz BDAPVPIEUSXYHW-CJNGLKHVSA-N -1 1 343.383 2.170 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2O)C1 ZINC000828016716 602053169 /nfs/dbraw/zinc/05/31/69/602053169.db2.gz RWIFITLEQHHKCG-CYBMUJFWSA-N -1 1 328.162 2.092 20 0 EEADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824192964 607583589 /nfs/dbraw/zinc/58/35/89/607583589.db2.gz PMTYMWMPJXOISR-SECBINFHSA-N -1 1 343.840 2.185 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000824212088 603936723 /nfs/dbraw/zinc/93/67/23/603936723.db2.gz YIVSIZOTMJMIMO-CYBMUJFWSA-N -1 1 336.367 2.043 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC000833772541 604460624 /nfs/dbraw/zinc/46/06/24/604460624.db2.gz CBAZTRYLPUKWLO-HNNXBMFYSA-N -1 1 336.351 2.418 20 0 EEADMM C[C@@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])N1CCc2ccccc2C1 ZINC000827469858 604482782 /nfs/dbraw/zinc/48/27/82/604482782.db2.gz JRXAVQKUDGTRRU-WMLDXEAASA-N -1 1 345.443 2.082 20 0 EEADMM CCOc1ncccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833665372 604866995 /nfs/dbraw/zinc/86/69/95/604866995.db2.gz RCMULGGNDWFAFX-UHFFFAOYSA-N -1 1 326.312 2.307 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000833618378 605105253 /nfs/dbraw/zinc/10/52/53/605105253.db2.gz BENUOWWCTSPUQT-TZNOJPMFSA-N -1 1 342.848 2.422 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000833618376 605105474 /nfs/dbraw/zinc/10/54/74/605105474.db2.gz BENUOWWCTSPUQT-JOAKQRRISA-N -1 1 342.848 2.422 20 0 EEADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000833628933 605106997 /nfs/dbraw/zinc/10/69/97/605106997.db2.gz CMVNHNDLNHTNKS-YPMHNXCESA-N -1 1 337.420 2.448 20 0 EEADMM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC000833660887 605835245 /nfs/dbraw/zinc/83/52/45/605835245.db2.gz RKFLCDRZTVHYSC-HZPDHXFCSA-N -1 1 337.391 2.276 20 0 EEADMM Cc1cccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822327832 606140926 /nfs/dbraw/zinc/14/09/26/606140926.db2.gz KPQQRKIGJHARDZ-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cc1cccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822327832 606140928 /nfs/dbraw/zinc/14/09/28/606140928.db2.gz KPQQRKIGJHARDZ-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM CN(Cc1nc2c(s1)CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC000821617134 606164154 /nfs/dbraw/zinc/16/41/54/606164154.db2.gz YEIRQOSJWVFYBC-UHFFFAOYSA-N -1 1 327.417 2.233 20 0 EEADMM CN(Cc1nc2c(s1)CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC000821617134 606164156 /nfs/dbraw/zinc/16/41/56/606164156.db2.gz YEIRQOSJWVFYBC-UHFFFAOYSA-N -1 1 327.417 2.233 20 0 EEADMM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820813370 606189370 /nfs/dbraw/zinc/18/93/70/606189370.db2.gz FMNDQGKFOJYMDN-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820813370 606189372 /nfs/dbraw/zinc/18/93/72/606189372.db2.gz FMNDQGKFOJYMDN-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM COc1cccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821863797 606193824 /nfs/dbraw/zinc/19/38/24/606193824.db2.gz PHQISUCCZPYAPP-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc2ncccc21 ZINC000823294936 606294841 /nfs/dbraw/zinc/29/48/41/606294841.db2.gz YEIDIGYMUYEKMB-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM COCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821695348 606508608 /nfs/dbraw/zinc/50/86/08/606508608.db2.gz ULQXFOQNHKUQML-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821695348 606508609 /nfs/dbraw/zinc/50/86/09/606508609.db2.gz ULQXFOQNHKUQML-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM Cn1cc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C(C)(C)C)cn1 ZINC000822669286 606548674 /nfs/dbraw/zinc/54/86/74/606548674.db2.gz INVJSQVOHBFSCD-GFCCVEGCSA-N -1 1 345.432 2.179 20 0 EEADMM Cn1cc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C(C)(C)C)cn1 ZINC000822669286 606548675 /nfs/dbraw/zinc/54/86/75/606548675.db2.gz INVJSQVOHBFSCD-GFCCVEGCSA-N -1 1 345.432 2.179 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907723 606566411 /nfs/dbraw/zinc/56/64/11/606566411.db2.gz QLESWSVFZAQFCJ-GWCFXTLKSA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907723 606566413 /nfs/dbraw/zinc/56/64/13/606566413.db2.gz QLESWSVFZAQFCJ-GWCFXTLKSA-N -1 1 349.460 2.499 20 0 EEADMM CO[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678645 606609862 /nfs/dbraw/zinc/60/98/62/606609862.db2.gz QKKJSGZDGHRJAB-RYUDHWBXSA-N -1 1 325.376 2.035 20 0 EEADMM CO[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678645 606609864 /nfs/dbraw/zinc/60/98/64/606609864.db2.gz QKKJSGZDGHRJAB-RYUDHWBXSA-N -1 1 325.376 2.035 20 0 EEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821787318 606653674 /nfs/dbraw/zinc/65/36/74/606653674.db2.gz RHGITNWIGGBXFK-QPJJXVBHSA-N -1 1 337.339 2.027 20 0 EEADMM COc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821787318 606653675 /nfs/dbraw/zinc/65/36/75/606653675.db2.gz RHGITNWIGGBXFK-QPJJXVBHSA-N -1 1 337.339 2.027 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823477821 606690755 /nfs/dbraw/zinc/69/07/55/606690755.db2.gz CPTALBZBCFGRPC-CYBMUJFWSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823477821 606690756 /nfs/dbraw/zinc/69/07/56/606690756.db2.gz CPTALBZBCFGRPC-CYBMUJFWSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823477823 606690904 /nfs/dbraw/zinc/69/09/04/606690904.db2.gz CPTALBZBCFGRPC-ZDUSSCGKSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823477823 606690905 /nfs/dbraw/zinc/69/09/05/606690905.db2.gz CPTALBZBCFGRPC-ZDUSSCGKSA-N -1 1 338.346 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCCCO1 ZINC000819981609 606955875 /nfs/dbraw/zinc/95/58/75/606955875.db2.gz ZVDYFVRCRLSWNZ-GFCCVEGCSA-N -1 1 335.433 2.253 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCCCO1 ZINC000819981609 606955877 /nfs/dbraw/zinc/95/58/77/606955877.db2.gz ZVDYFVRCRLSWNZ-GFCCVEGCSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H](CCOc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820249386 607102854 /nfs/dbraw/zinc/10/28/54/607102854.db2.gz WETSOXGLTGNHAP-SNVBAGLBSA-N -1 1 344.400 2.367 20 0 EEADMM C[C@H](CCOc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820249386 607102856 /nfs/dbraw/zinc/10/28/56/607102856.db2.gz WETSOXGLTGNHAP-SNVBAGLBSA-N -1 1 344.400 2.367 20 0 EEADMM COCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000826155692 607780430 /nfs/dbraw/zinc/78/04/30/607780430.db2.gz YTJIBFFYTGBBMP-HNNXBMFYSA-N -1 1 339.355 2.196 20 0 EEADMM COCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000826155692 607780431 /nfs/dbraw/zinc/78/04/31/607780431.db2.gz YTJIBFFYTGBBMP-HNNXBMFYSA-N -1 1 339.355 2.196 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCC1CCCCC1 ZINC000826418824 607864650 /nfs/dbraw/zinc/86/46/50/607864650.db2.gz XWKBPJLBTJBWPY-UHFFFAOYSA-N -1 1 347.394 2.471 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCC1CCCCC1 ZINC000826418824 607864651 /nfs/dbraw/zinc/86/46/51/607864651.db2.gz XWKBPJLBTJBWPY-UHFFFAOYSA-N -1 1 347.394 2.471 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826285423 607867860 /nfs/dbraw/zinc/86/78/60/607867860.db2.gz ZODNJQWITBNQRQ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826285423 607867861 /nfs/dbraw/zinc/86/78/61/607867861.db2.gz ZODNJQWITBNQRQ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CC(C)(O)COc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824172973 607899391 /nfs/dbraw/zinc/89/93/91/607899391.db2.gz RWBXSPCGXVJCNR-UHFFFAOYSA-N -1 1 326.360 2.155 20 0 EEADMM CC(C)(O)COc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824172973 607899392 /nfs/dbraw/zinc/89/93/92/607899392.db2.gz RWBXSPCGXVJCNR-UHFFFAOYSA-N -1 1 326.360 2.155 20 0 EEADMM O=C(CCSc1ccccn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826408002 607998816 /nfs/dbraw/zinc/99/88/16/607998816.db2.gz LWPMGKRWAFOJTR-UHFFFAOYSA-N -1 1 342.384 2.088 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826273789 608004236 /nfs/dbraw/zinc/00/42/36/608004236.db2.gz UJRGXOOBRFCYMY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826273789 608004237 /nfs/dbraw/zinc/00/42/37/608004237.db2.gz UJRGXOOBRFCYMY-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@@H](C)CO)n1 ZINC000826262429 608263106 /nfs/dbraw/zinc/26/31/06/608263106.db2.gz OMPKZBLGGGVKIY-LURJTMIESA-N -1 1 333.339 2.309 20 0 EEADMM O=Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(Br)c1 ZINC000826483823 608390454 /nfs/dbraw/zinc/39/04/54/608390454.db2.gz BDIYJCIDQFKVAP-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(Br)c1 ZINC000826483823 608390456 /nfs/dbraw/zinc/39/04/56/608390456.db2.gz BDIYJCIDQFKVAP-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM Fc1ccccc1CSCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826378260 608392120 /nfs/dbraw/zinc/39/21/20/608392120.db2.gz BNAXMRNCAKLSCI-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM Fc1ccccc1CSCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826378260 608392122 /nfs/dbraw/zinc/39/21/22/608392122.db2.gz BNAXMRNCAKLSCI-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM Cc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1OCC(F)F ZINC000826291584 608410380 /nfs/dbraw/zinc/41/03/80/608410380.db2.gz MNFLZPIERMPDTB-UHFFFAOYSA-N -1 1 333.302 2.353 20 0 EEADMM Cc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1OCC(F)F ZINC000826291584 608410382 /nfs/dbraw/zinc/41/03/82/608410382.db2.gz MNFLZPIERMPDTB-UHFFFAOYSA-N -1 1 333.302 2.353 20 0 EEADMM CN(Cc1cnn(-c2ccccc2)c1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825992244 608506726 /nfs/dbraw/zinc/50/67/26/608506726.db2.gz QUHIHIOZMFWGKW-UHFFFAOYSA-N -1 1 335.371 2.277 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](C(F)(F)F)O1 ZINC000824985841 608727127 /nfs/dbraw/zinc/72/71/27/608727127.db2.gz ZCKUNNMZKHMWJY-OIBJUYFYSA-N -1 1 333.339 2.080 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CN1CCN2CCOc3cccc1c32 ZINC000826518232 609174584 /nfs/dbraw/zinc/17/45/84/609174584.db2.gz GXXJFSTZASOOJO-UHFFFAOYSA-N -1 1 340.412 2.147 20 0 EEADMM Clc1nsc(N2CCC([C@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826353799 609591491 /nfs/dbraw/zinc/59/14/91/609591491.db2.gz DNUCBIIUSYYRRE-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC([C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826353799 609591493 /nfs/dbraw/zinc/59/14/93/609591493.db2.gz DNUCBIIUSYYRRE-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM CC(C)n1c(CCNC(=O)COc2cccc(C#N)c2)n[n-]c1=S ZINC000067074701 674588643 /nfs/dbraw/zinc/58/86/43/674588643.db2.gz HCBNWSBYHFKCGT-UHFFFAOYSA-N -1 1 345.428 2.131 20 0 EEADMM CC(C)(C)CC(=O)NCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000146350190 675949734 /nfs/dbraw/zinc/94/97/34/675949734.db2.gz GWCDSPBKGGEIPU-UHFFFAOYSA-N -1 1 347.367 2.094 20 0 EEADMM CCn1c(CCNC(=O)COc2cccc(Cl)c2)n[n-]c1=S ZINC000067076374 676129183 /nfs/dbraw/zinc/12/91/83/676129183.db2.gz NRGBTEYEKMJGGL-UHFFFAOYSA-N -1 1 340.836 2.352 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020808597 675506083 /nfs/dbraw/zinc/50/60/83/675506083.db2.gz KSDPVQOUUXFGOU-STQMWFEESA-N -1 1 333.432 2.048 20 0 EEADMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(N)=O ZINC000072607530 676576151 /nfs/dbraw/zinc/57/61/51/676576151.db2.gz YUQLKAPURLHJSL-XNCJUZBTSA-N -1 1 345.273 2.233 20 0 EEADMM COCCOc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891623987 676733515 /nfs/dbraw/zinc/73/35/15/676733515.db2.gz NBYSJDNVLROJKM-UHFFFAOYSA-N -1 1 343.383 2.339 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2ccc3c(c2)OCO3)CC1 ZINC000892153673 676917798 /nfs/dbraw/zinc/91/77/98/676917798.db2.gz OUJVPHQFJHFNKK-UHFFFAOYSA-N -1 1 340.261 2.223 20 0 EEADMM Cc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C)oc1C ZINC000947229083 677734639 /nfs/dbraw/zinc/73/46/39/677734639.db2.gz ALYPHXWZWFYAGR-RISCZKNCSA-N -1 1 344.415 2.175 20 0 EEADMM COCc1nc(N2CCC[C@@H]2c2cccc3c2OCCO3)cc(=O)[n-]1 ZINC000892297452 678650153 /nfs/dbraw/zinc/65/01/53/678650153.db2.gz OGVSSAVCOJIQBM-CYBMUJFWSA-N -1 1 343.383 2.441 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCCC1 ZINC000984800946 685276442 /nfs/dbraw/zinc/27/64/42/685276442.db2.gz GVPLEXRGGYIWDB-LSDHHAIUSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)(C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001024986505 681675941 /nfs/dbraw/zinc/67/59/41/681675941.db2.gz PHGIWNBJUUWXLL-AWEZNQCLSA-N -1 1 349.479 2.197 20 0 EEADMM CCn1c(CNC(=O)c2nc(SC)n3ccccc23)n[n-]c1=S ZINC000066636992 681781190 /nfs/dbraw/zinc/78/11/90/681781190.db2.gz NPZSFWCKXLTEKA-UHFFFAOYSA-N -1 1 348.457 2.260 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639644 681783347 /nfs/dbraw/zinc/78/33/47/681783347.db2.gz XWKYFMWXOCNYJK-VIFPVBQESA-N -1 1 336.465 2.292 20 0 EEADMM COCc1nc(NC[C@@H](O)c2ccc(OC(C)C)cc2)cc(=O)[n-]1 ZINC000892568867 681803674 /nfs/dbraw/zinc/80/36/74/681803674.db2.gz NLCAKEJRAHCWLW-CQSZACIVSA-N -1 1 333.388 2.261 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3ccc(F)cc3)CC2(C)C)c1[O-] ZINC000973045060 681933030 /nfs/dbraw/zinc/93/30/30/681933030.db2.gz YZPAUIHERZAATC-AWEZNQCLSA-N -1 1 346.406 2.203 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973196119 682293815 /nfs/dbraw/zinc/29/38/15/682293815.db2.gz BOYCGQKNYMCWSP-HDJSIYSDSA-N -1 1 339.395 2.095 20 0 EEADMM COCc1nc(N2CCC(C)(C(=O)OC(C)(C)C)CC2)cc(=O)[n-]1 ZINC000894356713 682618687 /nfs/dbraw/zinc/61/86/87/682618687.db2.gz SMOKYDVGNNGYAF-UHFFFAOYSA-N -1 1 337.420 2.277 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)C2(C3CC3)CC2)C1)c1ncccc1[O-] ZINC000983585798 682902456 /nfs/dbraw/zinc/90/24/56/682902456.db2.gz PGNUXEAZBZTCSQ-KGLIPLIRSA-N -1 1 343.427 2.135 20 0 EEADMM C/C(=C/C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983939097 683852523 /nfs/dbraw/zinc/85/25/23/683852523.db2.gz JWENFTNHDJONEV-BMOGTNHUSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(COC(=O)CCOc1ccc(F)cc1)[N-]C(=O)c1ccccc1 ZINC000914654844 683930057 /nfs/dbraw/zinc/93/00/57/683930057.db2.gz YQTUVPVXMAABRV-UHFFFAOYSA-N -1 1 345.326 2.094 20 0 EEADMM CCCOC(=O)CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000153360557 683974505 /nfs/dbraw/zinc/97/45/05/683974505.db2.gz XZALIZKNHMJWFN-UHFFFAOYSA-N -1 1 330.178 2.228 20 0 EEADMM O=C([O-])CCCCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324395774 684032143 /nfs/dbraw/zinc/03/21/43/684032143.db2.gz NZTNIHZZTTYWLM-UHFFFAOYSA-N -1 1 348.352 2.047 20 0 EEADMM Cc1coc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000984113648 684115774 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COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)[n-]1 ZINC000796362141 1213884281 /nfs/dbraw/zinc/88/42/81/1213884281.db2.gz LBCXDSUVKVBSIC-LLVKDONJSA-N -1 1 330.340 2.294 20 0 EEADMM C[C@H](NC(=O)c1cccs1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000959134296 1214236527 /nfs/dbraw/zinc/23/65/27/1214236527.db2.gz SVIHBCZLVKYBCR-NWDGAFQWSA-N -1 1 345.424 2.129 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000959254120 1214400347 /nfs/dbraw/zinc/40/03/47/1214400347.db2.gz TVVSORNLXAWDRU-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1ccc2c(c1)COC2 ZINC000092149850 1214401158 /nfs/dbraw/zinc/40/11/58/1214401158.db2.gz GQIQMUXSCWSQKI-UHFFFAOYSA-N -1 1 333.417 2.355 20 0 EEADMM CC1(C)CC[C@H](C(=O)N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)C1 ZINC000956849979 1214526661 /nfs/dbraw/zinc/52/66/61/1214526661.db2.gz CAGHMCYWXONUHU-DJJJIMSYSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000957595204 1215240584 /nfs/dbraw/zinc/24/05/84/1215240584.db2.gz DZRNTGLVIZKJIS-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ncccc2[O-])C3)CCC1 ZINC000958113251 1215571174 /nfs/dbraw/zinc/57/11/74/1215571174.db2.gz WKVLMUMUSCIBHJ-MJBXVCDLSA-N -1 1 343.427 2.087 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC000961222277 1217095881 /nfs/dbraw/zinc/09/58/81/1217095881.db2.gz RRCFIOSGJHRUSH-KBPBESRZSA-N -1 1 349.479 2.007 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)[C@@H]1CC=CCC1 ZINC000964720203 1218570464 /nfs/dbraw/zinc/57/04/64/1218570464.db2.gz OPHVRVSBLXTMNK-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000966350467 1219695915 /nfs/dbraw/zinc/69/59/15/1219695915.db2.gz QWGIMUMMHMSPCD-ZQDZILKHSA-N -1 1 345.443 2.190 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000966365953 1219705668 /nfs/dbraw/zinc/70/56/68/1219705668.db2.gz PSQWLAJGMNYZMP-YLIUPVCFSA-N -1 1 331.416 2.064 20 0 EEADMM CC1CC(C(=O)N2CCC[C@@H](CN(C)C(=O)c3ncccc3[O-])C2)C1 ZINC000966409892 1219732272 /nfs/dbraw/zinc/73/22/72/1219732272.db2.gz XXRSALCTWVMITR-SLTAFYQDSA-N -1 1 345.443 2.144 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000967524420 1220595694 /nfs/dbraw/zinc/59/56/94/1220595694.db2.gz HXVUVMLZZLFICA-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C2(F)CCCCC2)C1 ZINC000967906778 1220909022 /nfs/dbraw/zinc/90/90/22/1220909022.db2.gz IHOBRPZJESZRTM-UHFFFAOYSA-N -1 1 349.406 2.133 20 0 EEADMM O=C(CC1CCCC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC000968385551 1221262565 /nfs/dbraw/zinc/26/25/65/1221262565.db2.gz OJZZIXLHMLHXLW-GASCZTMLSA-N -1 1 343.427 2.183 20 0 EEADMM CC(C)=C(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007357897 1222188250 /nfs/dbraw/zinc/18/82/50/1222188250.db2.gz VIONONLZTGIFOT-SGTLLEGYSA-N -1 1 347.390 2.162 20 0 EEADMM CC1(C)CN(C(=O)C2CCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001008069287 1222602616 /nfs/dbraw/zinc/60/26/16/1222602616.db2.gz LCMPJYDZKKDPOZ-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1)C1CCC1 ZINC001008085525 1222614019 /nfs/dbraw/zinc/61/40/19/1222614019.db2.gz ULBBSFCPCSPMIS-IUODEOHRSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1nc(C(C)C)oc1CN1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001010730648 1223875629 /nfs/dbraw/zinc/87/56/29/1223875629.db2.gz GPOANLSINWNUBY-ZDUSSCGKSA-N -1 1 344.415 2.211 20 0 EEADMM O=C(N[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1)c1ncccc1[O-] ZINC001010732450 1223876575 /nfs/dbraw/zinc/87/65/75/1223876575.db2.gz NCQGTBKVBFXUID-MRXNPFEDSA-N -1 1 343.402 2.363 20 0 EEADMM CC(C)c1cnc(CN[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)o1 ZINC001054606320 1248719917 /nfs/dbraw/zinc/71/99/17/1248719917.db2.gz PBQUOMLLALUXAT-CHWSQXEVSA-N -1 1 344.415 2.149 20 0 EEADMM CC1(C(=O)N2CC[C@@]3(NC(=O)c4ncccc4[O-])CCC[C@H]23)CCC1 ZINC001014253079 1226415127 /nfs/dbraw/zinc/41/51/27/1226415127.db2.gz KWIVKXPGVVUHHD-LIRRHRJNSA-N -1 1 343.427 2.231 20 0 EEADMM Cc1occc1C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001017967998 1227930224 /nfs/dbraw/zinc/93/02/24/1227930224.db2.gz LWQJCMSCFIPQRA-AAEUAGOBSA-N -1 1 343.383 2.112 20 0 EEADMM COc1ccc(C)cc1CN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038182964 1229679443 /nfs/dbraw/zinc/67/94/43/1229679443.db2.gz DPPCGINOGRNMCN-OAHLLOKOSA-N -1 1 341.411 2.109 20 0 EEADMM COc1ccc(C)cc1CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038182963 1229679633 /nfs/dbraw/zinc/67/96/33/1229679633.db2.gz DPPCGINOGRNMCN-HNNXBMFYSA-N -1 1 341.411 2.109 20 0 EEADMM COc1cccc([C@H](C)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001038183609 1229679695 /nfs/dbraw/zinc/67/96/95/1229679695.db2.gz KVHGRUUONCGDGE-DZGCQCFKSA-N -1 1 341.411 2.361 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001067254784 1229776663 /nfs/dbraw/zinc/77/66/63/1229776663.db2.gz NNXXXCDHJHRHNG-KGLIPLIRSA-N -1 1 335.448 2.390 20 0 EEADMM CN(CCCN(C)C(=O)[C@H]1CC12CCCC2)C(=O)c1ncccc1[O-] ZINC001067254945 1229779981 /nfs/dbraw/zinc/77/99/81/1229779981.db2.gz WJIUPXAZIJQFIP-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CN(CCCN(C)C(=O)c1ncccc1[O-])C(=O)C[C@@H]1C=CCCC1 ZINC001067254969 1229780236 /nfs/dbraw/zinc/78/02/36/1229780236.db2.gz XUYGQWQVZYCMSH-OAHLLOKOSA-N -1 1 345.443 2.454 20 0 EEADMM Cc1ccnc(NC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]2C)n1 ZINC001039864442 1230867370 /nfs/dbraw/zinc/86/73/70/1230867370.db2.gz KBFHECDLKQSAOX-OCCSQVGLSA-N -1 1 341.415 2.096 20 0 EEADMM C[C@H]1[C@@H](Nc2nc(C3CC3)ns2)CCN1C(=O)c1ncccc1[O-] ZINC001040106332 1231024885 /nfs/dbraw/zinc/02/48/85/1231024885.db2.gz JIQRAEWYPRVPKA-ONGXEEELSA-N -1 1 345.428 2.231 20 0 EEADMM Cc1nccc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001040407177 1231213540 /nfs/dbraw/zinc/21/35/40/1231213540.db2.gz WVFCTBWFXSLFQE-TZMCWYRMSA-N -1 1 341.415 2.096 20 0 EEADMM CC1(C)CN(c2cccc(F)n2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001067323677 1231353152 /nfs/dbraw/zinc/35/31/52/1231353152.db2.gz DRZQHHFQBAWONX-ZDUSSCGKSA-N -1 1 344.390 2.356 20 0 EEADMM CCc1nc(C)cc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001043148409 1232284518 /nfs/dbraw/zinc/28/45/18/1232284518.db2.gz RGQPYQGXRKYTMG-DGCLKSJQSA-N -1 1 341.415 2.021 20 0 EEADMM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CCC2CCCC2)C1 ZINC001044182109 1232771809 /nfs/dbraw/zinc/77/18/09/1232771809.db2.gz PXMVKUZLGCOVGZ-UHFFFAOYSA-N -1 1 344.415 2.265 20 0 EEADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])CC2)nn1 ZINC001067597338 1249295558 /nfs/dbraw/zinc/29/55/58/1249295558.db2.gz TZWRFGCGQWCFKF-AWEZNQCLSA-N -1 1 341.415 2.017 20 0 EEADMM CCCCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326560 1235425713 /nfs/dbraw/zinc/42/57/13/1235425713.db2.gz YCBZWPWKHMRHOC-LLVKDONJSA-N -1 1 349.362 2.179 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCCOCC(F)F)n2)cc1 ZINC000801361626 1235457600 /nfs/dbraw/zinc/45/76/00/1235457600.db2.gz HBPOHXPOSMFPHE-UHFFFAOYSA-N -1 1 342.298 2.025 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCCCn3ccnc3)n2)cc1 ZINC000801366421 1235462079 /nfs/dbraw/zinc/46/20/79/1235462079.db2.gz TZNFMLYQXSRVGB-UHFFFAOYSA-N -1 1 342.355 2.030 20 0 EEADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)OCc3ncnn3C)n2)cc1 ZINC000801410891 1235537184 /nfs/dbraw/zinc/53/71/84/1235537184.db2.gz NUGOZYKWKFVCTJ-UHFFFAOYSA-N -1 1 341.371 2.187 20 0 EEADMM CC(C)c1ccc(-n2cc([O-])c(C(=O)O[C@H](C)C(=O)N(C)C)n2)cc1 ZINC000801412260 1235538256 /nfs/dbraw/zinc/53/82/56/1235538256.db2.gz BLEMAUVEUUXRGW-GFCCVEGCSA-N -1 1 345.399 2.335 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC[C@@H]2CCOC2=O)n1 ZINC000801427401 1235562490 /nfs/dbraw/zinc/56/24/90/1235562490.db2.gz PYOAQTFGWIBLFZ-NSHDSACASA-N -1 1 348.330 2.135 20 0 EEADMM CCOC(=O)Oc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000801704609 1236057101 /nfs/dbraw/zinc/05/71/01/1236057101.db2.gz AAYISNWWSMCYMA-UHFFFAOYSA-N -1 1 340.339 2.129 20 0 EEADMM CCc1noc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000902613425 1238037059 /nfs/dbraw/zinc/03/70/59/1238037059.db2.gz VCMXHBJACVQNPX-UHFFFAOYSA-N -1 1 329.356 2.073 20 0 EEADMM CCCC(=O)NCCN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC001055067488 1249700633 /nfs/dbraw/zinc/70/06/33/1249700633.db2.gz GDWHZEFEQGEESC-UHFFFAOYSA-N -1 1 341.411 2.346 20 0 EEADMM COC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCCC1 ZINC000903044196 1239606035 /nfs/dbraw/zinc/60/60/35/1239606035.db2.gz DDLQVVBNHKPDPP-UHFFFAOYSA-N -1 1 329.400 2.392 20 0 EEADMM CN(c1ncnc2ccccc21)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001056900319 1240586126 /nfs/dbraw/zinc/58/61/26/1240586126.db2.gz DKJGJUUSRPBFFH-ZDUSSCGKSA-N -1 1 349.394 2.081 20 0 EEADMM Cc1nc(CN2CC=C(CNC(=O)c3ncccc3[O-])CC2)cs1 ZINC001000610514 1240591227 /nfs/dbraw/zinc/59/12/27/1240591227.db2.gz BEAWLEZIRFZXPD-UHFFFAOYSA-N -1 1 344.440 2.114 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cnc(C3CC3)nc2N)c1 ZINC000803706421 1241441675 /nfs/dbraw/zinc/44/16/75/1241441675.db2.gz CIVMOISSJQVRNE-UHFFFAOYSA-N -1 1 341.367 2.244 20 0 EEADMM CC[C@@H](F)CN1CC=C(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001001371743 1242147457 /nfs/dbraw/zinc/14/74/57/1242147457.db2.gz PFHGYMYXTVWEFZ-GFCCVEGCSA-N -1 1 348.378 2.038 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001050259938 1243202206 /nfs/dbraw/zinc/20/22/06/1243202206.db2.gz OXDOJFQQIJLDNH-GFCCVEGCSA-N -1 1 343.431 2.168 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccc1[O-])c1cccc(F)n1 ZINC001051329982 1245556684 /nfs/dbraw/zinc/55/66/84/1245556684.db2.gz ICGMHLVUJQJNIN-ZDUSSCGKSA-N -1 1 344.390 2.452 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CC(C)(C)C ZINC001052422484 1247246684 /nfs/dbraw/zinc/24/66/84/1247246684.db2.gz RLOIRKMUGWKKKV-CHWSQXEVSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc2n[n-]c(=S)n2c1 ZINC000827326762 1247913610 /nfs/dbraw/zinc/91/36/10/1247913610.db2.gz HNBSPVXAVVIZDW-YUTCNCBUSA-N -1 1 344.440 2.096 20 0 EEADMM CCc1cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)nc(C)n1 ZINC001068823489 1251744788 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Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)cnc2c1 ZINC001185836102 1278798047 /nfs/dbraw/zinc/79/80/47/1278798047.db2.gz BODMLIDXBSQATR-UHFFFAOYSA-N -1 1 333.344 2.171 20 0 EEADMM COc1cccc(CC[N-]S(=O)(=O)C(Cl)(Cl)Cl)c1 ZINC001191997299 1281740064 /nfs/dbraw/zinc/74/00/64/1281740064.db2.gz RQTKBKSRYUAFSC-UHFFFAOYSA-N -1 1 332.636 2.485 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001186218243 1279009585 /nfs/dbraw/zinc/00/95/85/1279009585.db2.gz AVFUMHKFSKRVRX-OAHLLOKOSA-N -1 1 348.761 2.498 20 0 EEADMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)O1 ZINC000867379569 1287234025 /nfs/dbraw/zinc/23/40/25/1287234025.db2.gz RECZQLSMQMJGOE-IONNQARKSA-N -1 1 325.217 2.234 20 0 EEADMM CC[C@H](c1ccccc1)N(CCS(=O)(=O)C(C)C)CC(=O)[O-] ZINC000851706747 1277721644 /nfs/dbraw/zinc/72/16/44/1277721644.db2.gz HRSCDFOGMWFLPY-OAHLLOKOSA-N -1 1 327.446 2.348 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001186327539 1279042708 /nfs/dbraw/zinc/04/27/08/1279042708.db2.gz 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COc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)ccc3c2)c1 ZINC001259189140 1319474880 /nfs/dbraw/zinc/47/48/80/1319474880.db2.gz LERBIURUUUPCKJ-UHFFFAOYSA-N -1 1 330.365 2.338 20 0 EEADMM Cc1ccc(CS(=O)(=O)[N-]c2cnn3c2OCC2(CC2)C3)cc1 ZINC001259259615 1319500135 /nfs/dbraw/zinc/50/01/35/1319500135.db2.gz AESNFYXDKJSZRS-UHFFFAOYSA-N -1 1 333.413 2.306 20 0 EEADMM Cc1nccc(Br)c1[N-]S(=O)(=O)c1ccccn1 ZINC001259282216 1319509793 /nfs/dbraw/zinc/50/97/93/1319509793.db2.gz UDAINLUNGSIXFO-UHFFFAOYSA-N -1 1 328.191 2.348 20 0 EEADMM O=S(=O)([N-]C1(c2cnccn2)CC1)c1cccc(Cl)c1F ZINC001259472790 1319588838 /nfs/dbraw/zinc/58/88/38/1319588838.db2.gz BIEDMTPAUSZJGR-UHFFFAOYSA-N -1 1 327.768 2.237 20 0 EEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nn(CCO)cc2c1 ZINC001259490130 1319595623 /nfs/dbraw/zinc/59/56/23/1319595623.db2.gz SNRVYUFYKOHBGH-UHFFFAOYSA-N -1 1 349.387 2.277 20 0 EEADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C2 ZINC001259490196 1319595690 /nfs/dbraw/zinc/59/56/90/1319595690.db2.gz 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O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2C(=O)CC3)cc1 ZINC001260227679 1319837673 /nfs/dbraw/zinc/83/76/73/1319837673.db2.gz SNVPIUOCQLCZDX-UHFFFAOYSA-N -1 1 331.349 2.315 20 0 EEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC001260609947 1319920766 /nfs/dbraw/zinc/92/07/66/1319920766.db2.gz BIPAUAUBHSJYBV-UHFFFAOYSA-N -1 1 331.353 2.150 20 0 EEADMM COc1cccc(-n2cc(NC(=O)c3ccc([O-])cc3F)nn2)c1 ZINC001163417782 1321120057 /nfs/dbraw/zinc/12/00/57/1321120057.db2.gz SJFVFHNMRJGHMC-UHFFFAOYSA-N -1 1 328.303 2.373 20 0 EEADMM CC1(C)NC(=O)Nc2cc(NCC[N-]C(=O)C(F)(F)F)ccc21 ZINC001164250864 1321330310 /nfs/dbraw/zinc/33/03/10/1321330310.db2.gz CQWBCBNBJXSLHQ-UHFFFAOYSA-N -1 1 330.310 2.147 20 0 EEADMM O=C([O-])c1cc(-c2cccc(C(=O)N3CCNCC3)c2)cc(F)c1F ZINC001206058099 1323382064 /nfs/dbraw/zinc/38/20/64/1323382064.db2.gz FOIOIALQFJMTEW-UHFFFAOYSA-N -1 1 346.333 2.375 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCO1 ZINC000359365197 1323561075 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C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1cc(F)cc(F)c1 ZINC001590010835 1349106808 /nfs/dbraw/zinc/10/68/08/1349106808.db2.gz ONVHUCMSZDABKO-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc(F)cc(F)c1 ZINC001590010835 1349106810 /nfs/dbraw/zinc/10/68/10/1349106810.db2.gz ONVHUCMSZDABKO-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590037287 1349120787 /nfs/dbraw/zinc/12/07/87/1349120787.db2.gz KGMXQNUYPCESPD-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590037287 1349120792 /nfs/dbraw/zinc/12/07/92/1349120792.db2.gz KGMXQNUYPCESPD-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM CCC[C@H](CC)C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001491948574 1330340106 /nfs/dbraw/zinc/34/01/06/1330340106.db2.gz RYLRDBGNWAXLBJ-UONOGXRCSA-N -1 1 333.432 2.286 20 0 EEADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592630300 1349681020 /nfs/dbraw/zinc/68/10/20/1349681020.db2.gz HGAGTIPBZVBYSP-FWOIEVBISA-N -1 1 348.766 2.203 20 0 EEADMM Cc1cc(CN)oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001600192035 1349989475 /nfs/dbraw/zinc/98/94/75/1349989475.db2.gz SJDQTEOPADCCBY-GFCCVEGCSA-N -1 1 340.738 2.395 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001601688063 1350337816 /nfs/dbraw/zinc/33/78/16/1350337816.db2.gz BUEUMSXHCYLKNJ-XXFPWJFMSA-N -1 1 330.167 2.224 20 0 EEADMM O=C([O-])[C@H](c1cccc(Br)c1)N1C[C@@H](O)C2(CC2)C1 ZINC001601689481 1350338286 /nfs/dbraw/zinc/33/82/86/1350338286.db2.gz BSKMAFGWMSZXBH-NEPJUHHUSA-N -1 1 326.190 2.032 20 0 EEADMM CC(C)Oc1ccnc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001603374481 1350697292 /nfs/dbraw/zinc/69/72/92/1350697292.db2.gz RKBVVAXGUGMUFU-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)Oc1ccnc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001603374481 1350697298 /nfs/dbraw/zinc/69/72/98/1350697298.db2.gz RKBVVAXGUGMUFU-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM O=C([O-])[C@@H](Cc1cncs1)NCc1csc(C(F)(F)F)n1 ZINC001608546953 1351713810 /nfs/dbraw/zinc/71/38/10/1351713810.db2.gz XLNUDNXCDYQBAK-MRVPVSSYSA-N -1 1 337.348 2.404 20 0 EEADMM C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cncc(C(=O)[O-])c1 ZINC001604340601 1350919830 /nfs/dbraw/zinc/91/98/30/1350919830.db2.gz KATHBNOSRCQQLG-ZDUSSCGKSA-N -1 1 348.424 2.045 20 0 EEADMM C[C@H](NCCCONC(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001604343773 1350920498 /nfs/dbraw/zinc/92/04/98/1350920498.db2.gz XLGSYSSPOIQYBG-VIFPVBQESA-N -1 1 345.421 2.338 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605839622 1351233135 /nfs/dbraw/zinc/23/31/35/1351233135.db2.gz JSJGZAODRIUYJP-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605839622 1351233136 /nfs/dbraw/zinc/23/31/36/1351233136.db2.gz JSJGZAODRIUYJP-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Fc1ccc(OCCCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001606322525 1351292828 /nfs/dbraw/zinc/29/28/28/1351292828.db2.gz BZHCXFKFALNFRQ-UHFFFAOYSA-N -1 1 329.339 2.067 20 0 EEADMM Fc1ccc(OCCCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001606322525 1351292832 /nfs/dbraw/zinc/29/28/32/1351292832.db2.gz BZHCXFKFALNFRQ-UHFFFAOYSA-N -1 1 329.339 2.067 20 0 EEADMM Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001301707305 1331309024 /nfs/dbraw/zinc/30/90/24/1331309024.db2.gz KDCQQUHAGKZROX-UHFFFAOYSA-N -1 1 325.372 2.109 20 0 EEADMM CC(=O)Nc1cccc(OS(=O)(=O)c2c[n-]nc2C(F)(F)F)c1 ZINC001309007594 1331613473 /nfs/dbraw/zinc/61/34/73/1331613473.db2.gz RFGISPOZNYSUHO-UHFFFAOYSA-N -1 1 349.290 2.155 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001309067634 1331616548 /nfs/dbraw/zinc/61/65/48/1331616548.db2.gz TXGYSOTXIWLUFN-QWRGUYRKSA-N -1 1 334.388 2.233 20 0 EEADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2c[nH]c3ccccc23)cc1 ZINC001608762860 1351757136 /nfs/dbraw/zinc/75/71/36/1351757136.db2.gz ZNQFMEHTRXTHGI-UHFFFAOYSA-N -1 1 346.364 2.432 20 0 EEADMM O=C([O-])CSCCC(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001608767175 1351758426 /nfs/dbraw/zinc/75/84/26/1351758426.db2.gz ODJYWFUHAKDDJO-UHFFFAOYSA-N -1 1 331.397 2.394 20 0 EEADMM O=C([O-])c1c(F)cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1F ZINC001608827539 1351773118 /nfs/dbraw/zinc/77/31/18/1351773118.db2.gz PMIGVMDGPRJHJR-DTORHVGOSA-N -1 1 325.315 2.021 20 0 EEADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319778144 1332765349 /nfs/dbraw/zinc/76/53/49/1332765349.db2.gz JWNXGQUSJGCEPV-JGVFFNPUSA-N -1 1 327.233 2.074 20 0 EEADMM O=C([N-]CCCSCc1nnc2n1CCCCC2)C(F)(F)F ZINC001321392456 1333093511 /nfs/dbraw/zinc/09/35/11/1333093511.db2.gz BUBMIKSBNBKGIU-UHFFFAOYSA-N -1 1 336.383 2.306 20 0 EEADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000026238743 1352370590 /nfs/dbraw/zinc/37/05/90/1352370590.db2.gz NWXXZZSTECEWPY-UHFFFAOYSA-N -1 1 334.328 2.285 20 0 EEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC001609121062 1351850830 /nfs/dbraw/zinc/85/08/30/1351850830.db2.gz DYDDETYNYRGJJU-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC001609133166 1351855663 /nfs/dbraw/zinc/85/56/63/1351855663.db2.gz VHKGHNUXNPQGCP-VIFPVBQESA-N -1 1 343.368 2.112 20 0 EEADMM COC(=O)C(C)(C)CC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000885434270 1368985640 /nfs/dbraw/zinc/98/56/40/1368985640.db2.gz BKHLRAFGEQNLBR-UHFFFAOYSA-N -1 1 335.372 2.141 20 0 EEADMM CC[C@H](C)n1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C1CC1 ZINC001609187538 1351882048 /nfs/dbraw/zinc/88/20/48/1351882048.db2.gz HWAVAACATDRDDH-VIFPVBQESA-N -1 1 325.380 2.445 20 0 EEADMM CC[C@H](C)n1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C1CC1 ZINC001609187538 1351882053 /nfs/dbraw/zinc/88/20/53/1351882053.db2.gz HWAVAACATDRDDH-VIFPVBQESA-N -1 1 325.380 2.445 20 0 EEADMM CCOc1ccccc1CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609246589 1351907764 /nfs/dbraw/zinc/90/77/64/1351907764.db2.gz PBZRZYURKFVYGK-UHFFFAOYSA-N -1 1 341.346 2.335 20 0 EEADMM CCOc1ccccc1CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609246589 1351907765 /nfs/dbraw/zinc/90/77/65/1351907765.db2.gz PBZRZYURKFVYGK-UHFFFAOYSA-N -1 1 341.346 2.335 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313317 1351929494 /nfs/dbraw/zinc/92/94/94/1351929494.db2.gz IBIBHUDXFJYSOC-SFYZADRCSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313317 1351929495 /nfs/dbraw/zinc/92/94/95/1351929495.db2.gz IBIBHUDXFJYSOC-SFYZADRCSA-N -1 1 340.840 2.370 20 0 EEADMM COc1cccc([C@H](C)c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001609361347 1351946436 /nfs/dbraw/zinc/94/64/36/1351946436.db2.gz VSYPRNSBJVJXDW-JTQLQIEISA-N -1 1 349.354 2.472 20 0 EEADMM COc1cccc([C@H](C)c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001609361347 1351946438 /nfs/dbraw/zinc/94/64/38/1351946438.db2.gz VSYPRNSBJVJXDW-JTQLQIEISA-N -1 1 349.354 2.472 20 0 EEADMM Cc1c(-c2nnn[n-]2)nn(-c2ccccc2)c1NC(=O)C1CCCC1 ZINC001609379597 1351952284 /nfs/dbraw/zinc/95/22/84/1351952284.db2.gz QQNZEWIPQQAFFZ-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM Cc1c(-c2nn[n-]n2)nn(-c2ccccc2)c1NC(=O)C1CCCC1 ZINC001609379597 1351952286 /nfs/dbraw/zinc/95/22/86/1351952286.db2.gz QQNZEWIPQQAFFZ-UHFFFAOYSA-N -1 1 337.387 2.490 20 0 EEADMM Cc1cc(NC[C@H](C)CNC(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001609409185 1351965332 /nfs/dbraw/zinc/96/53/32/1351965332.db2.gz AKKUDRHPLVIJPQ-JTQLQIEISA-N -1 1 347.423 2.143 20 0 EEADMM Cc1cc(NC[C@H](C)CNC(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001609409185 1351965334 /nfs/dbraw/zinc/96/53/34/1351965334.db2.gz AKKUDRHPLVIJPQ-JTQLQIEISA-N -1 1 347.423 2.143 20 0 EEADMM Cc1ccccc1Nc1nc(Cn2cnc(-c3nn[n-]n3)n2)cs1 ZINC001609436965 1351976293 /nfs/dbraw/zinc/97/62/93/1351976293.db2.gz AWIQOKLLKQYJQK-UHFFFAOYSA-N -1 1 339.388 2.015 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609433081 1351974367 /nfs/dbraw/zinc/97/43/67/1351974367.db2.gz FUYHYDQEUGJAIT-SNVBAGLBSA-N -1 1 345.384 2.142 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609433081 1351974369 /nfs/dbraw/zinc/97/43/69/1351974369.db2.gz FUYHYDQEUGJAIT-SNVBAGLBSA-N -1 1 345.384 2.142 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)OCc3cccnc3-c3nnn[n-]3)c21 ZINC001609434177 1351975092 /nfs/dbraw/zinc/97/50/92/1351975092.db2.gz FEMZRSGPDNPNBY-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)OCc3cccnc3-c3nn[n-]n3)c21 ZINC001609434177 1351975094 /nfs/dbraw/zinc/97/50/94/1351975094.db2.gz FEMZRSGPDNPNBY-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1nsc(NCc2ccc(C[S@@](C)=O)cc2)c1-c1nn[n-]n1 ZINC001609466405 1351987563 /nfs/dbraw/zinc/98/75/63/1351987563.db2.gz TZARBRGQWGSXGW-HSZRJFAPSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC001609465700 1351987972 /nfs/dbraw/zinc/98/79/72/1351987972.db2.gz YOMFXZODQPAHIW-GFCCVEGCSA-N -1 1 346.391 2.349 20 0 EEADMM Cc1nsc(NCC[C@H]2COc3ccccc3O2)c1-c1nn[n-]n1 ZINC001609466120 1351988022 /nfs/dbraw/zinc/98/80/22/1351988022.db2.gz DLWXXSGPVHILQQ-JTQLQIEISA-N -1 1 344.400 2.274 20 0 EEADMM Cc1oc(NC(=O)COC(=O)C2=CCCCC2)c(-c2nn[n-]n2)c1C ZINC001609470195 1351989405 /nfs/dbraw/zinc/98/94/05/1351989405.db2.gz ZXXRPYIGMUEATK-UHFFFAOYSA-N -1 1 345.359 2.059 20 0 EEADMM Fc1ccc2ncnc(Oc3ccc(F)nc3-c3nn[n-]n3)c2c1 ZINC001609491472 1351997092 /nfs/dbraw/zinc/99/70/92/1351997092.db2.gz JYIWPIZNVVLTGW-UHFFFAOYSA-N -1 1 327.254 2.275 20 0 EEADMM O=C(NC[C@H]1CCOC2(CCC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001609546776 1352012445 /nfs/dbraw/zinc/01/24/45/1352012445.db2.gz ZDKULXQOFBQZTK-JTQLQIEISA-N -1 1 333.417 2.007 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001609567281 1352018386 /nfs/dbraw/zinc/01/83/86/1352018386.db2.gz ZKSJQTBJTFOLHD-AWEZNQCLSA-N -1 1 349.398 2.358 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001609567281 1352018388 /nfs/dbraw/zinc/01/83/88/1352018388.db2.gz ZKSJQTBJTFOLHD-AWEZNQCLSA-N -1 1 349.398 2.358 20 0 EEADMM CC(C)(C)c1nnc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])[nH]1 ZINC001609671927 1352054946 /nfs/dbraw/zinc/05/49/46/1352054946.db2.gz XTMNRGODXBQECI-NSHDSACASA-N -1 1 348.428 2.078 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC001609674140 1352055637 /nfs/dbraw/zinc/05/56/37/1352055637.db2.gz RJDUDOUOVJHPNQ-UHFFFAOYSA-N -1 1 334.445 2.495 20 0 EEADMM C[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ncc(C(=O)[O-])s1 ZINC001609763334 1352079248 /nfs/dbraw/zinc/07/92/48/1352079248.db2.gz ONFHYHDNLSRVBA-SECBINFHSA-N -1 1 349.416 2.215 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2C)c1 ZINC001337582639 1336716444 /nfs/dbraw/zinc/71/64/44/1336716444.db2.gz TUCYGGHFLJTLAI-UHFFFAOYSA-N -1 1 347.371 2.209 20 0 EEADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001345561584 1337451583 /nfs/dbraw/zinc/45/15/83/1337451583.db2.gz UELBSCDRXJPSDJ-UHFFFAOYSA-N -1 1 347.396 2.170 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001610001221 1352138337 /nfs/dbraw/zinc/13/83/37/1352138337.db2.gz GLKCAIKUPQCCFW-UHFFFAOYSA-N -1 1 334.294 2.320 20 0 EEADMM CCN(C(=O)CN[C@@](C)(CC)C(=O)[O-])c1nc2ccccc2s1 ZINC001609990379 1352136334 /nfs/dbraw/zinc/13/63/34/1352136334.db2.gz MYNCECVFVBDSBZ-INIZCTEOSA-N -1 1 335.429 2.492 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N2CCSC[C@H](C(=O)[O-])C2)cc1 ZINC001610063787 1352153804 /nfs/dbraw/zinc/15/38/04/1352153804.db2.gz TWZWMQUBFWOSGC-GXTWGEPZSA-N -1 1 336.457 2.326 20 0 EEADMM CC[C@H](C)CNC(=S)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001200271190 1338213335 /nfs/dbraw/zinc/21/33/35/1338213335.db2.gz HOPMLYUVXGQXLB-NSHDSACASA-N -1 1 342.401 2.169 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2cc(F)nc(F)c2F)ccc1F ZINC001200389804 1338299805 /nfs/dbraw/zinc/29/98/05/1338299805.db2.gz XIXITZHNPISDHL-UHFFFAOYSA-N -1 1 336.266 2.447 20 0 EEADMM COC[C@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001610248879 1352194325 /nfs/dbraw/zinc/19/43/25/1352194325.db2.gz LQQGXEHLUTZHRE-INIZCTEOSA-N -1 1 342.395 2.325 20 0 EEADMM COCCN1[C@H](C)CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C[C@@H]1C ZINC001610261808 1352196016 /nfs/dbraw/zinc/19/60/16/1352196016.db2.gz QAGWZHFTWBCPAZ-OKILXGFUSA-N -1 1 349.431 2.266 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCCC(F)(F)C1 ZINC001355513403 1338725179 /nfs/dbraw/zinc/72/51/79/1338725179.db2.gz JYLLYOPSIARZHH-UHFFFAOYSA-N -1 1 329.738 2.472 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)n1 ZINC001610445313 1352223457 /nfs/dbraw/zinc/22/34/57/1352223457.db2.gz NLWBSXVSJCPBJA-HIFRSBDPSA-N -1 1 330.363 2.480 20 0 EEADMM Cc1cc(C2CCN(CC(=O)Nc3ccsc3C(=O)[O-])CC2)[nH]n1 ZINC001610458099 1352225675 /nfs/dbraw/zinc/22/56/75/1352225675.db2.gz UPLJXUAUWQPONG-UHFFFAOYSA-N -1 1 348.428 2.296 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610526839 1352238875 /nfs/dbraw/zinc/23/88/75/1352238875.db2.gz AOZUDAULCJQXHX-RHSMWYFYSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1cccnc1[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)C(C)C ZINC001610534280 1352240671 /nfs/dbraw/zinc/24/06/71/1352240671.db2.gz JMEGGFWLWGZZEY-INIZCTEOSA-N -1 1 342.399 2.409 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001610552853 1352243779 /nfs/dbraw/zinc/24/37/79/1352243779.db2.gz HTJVVNPPXLAGHS-ZDUSSCGKSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001610564428 1352245600 /nfs/dbraw/zinc/24/56/00/1352245600.db2.gz AGIOOIFHFXHTEV-QWHCGFSZSA-N -1 1 328.372 2.405 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001610564429 1352245710 /nfs/dbraw/zinc/24/57/10/1352245710.db2.gz AGIOOIFHFXHTEV-STQMWFEESA-N -1 1 328.372 2.405 20 0 EEADMM Cc1ccoc1C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428371484 1339482745 /nfs/dbraw/zinc/48/27/45/1339482745.db2.gz RLKQREAUGRNOTK-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)s1 ZINC001610821574 1352280445 /nfs/dbraw/zinc/28/04/45/1352280445.db2.gz NVHYOEAGJRFTAB-GFCCVEGCSA-N -1 1 328.353 2.084 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CCC[C@@H](CO)CC3)c2c1 ZINC001610842248 1352283737 /nfs/dbraw/zinc/28/37/37/1352283737.db2.gz HFNLCFHQPOGQMQ-GFCCVEGCSA-N -1 1 330.384 2.143 20 0 EEADMM CCCC(CCC)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001430143319 1340138449 /nfs/dbraw/zinc/13/84/49/1340138449.db2.gz CFUBQHFOTKAOJZ-HDJSIYSDSA-N -1 1 333.432 2.381 20 0 EEADMM CCC1(C(=O)N2CCC(CCNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001430866847 1340359686 /nfs/dbraw/zinc/35/96/86/1340359686.db2.gz POAWQFHXUQFTGS-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CSc1ncc(C(=O)NCCc2nc3c(cccc3C)o2)c(=O)[n-]1 ZINC001617493791 1352341963 /nfs/dbraw/zinc/34/19/63/1352341963.db2.gz FEOLGAUZGMKTRM-UHFFFAOYSA-N -1 1 344.396 2.326 20 0 EEADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(NC(N)=O)cc1 ZINC001433610538 1341637666 /nfs/dbraw/zinc/63/76/66/1341637666.db2.gz IFTVFVZKCRDWIW-VIFPVBQESA-N -1 1 341.371 2.041 20 0 EEADMM CCn1cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c(-c2ccccc2)n1 ZINC001436067281 1342010079 /nfs/dbraw/zinc/01/00/79/1342010079.db2.gz CAHYVLXIIKNECF-UHFFFAOYSA-N -1 1 346.394 2.478 20 0 EEADMM CN(C)c1ccnc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC001566819190 1342634201 /nfs/dbraw/zinc/63/42/01/1342634201.db2.gz VIFKMWIHWVTBMP-UHFFFAOYSA-N -1 1 335.367 2.354 20 0 EEADMM Cc1c(C(=O)OCC(=O)c2ccc([O-])cc2O)cccc1[N+](=O)[O-] ZINC000018269365 1344219229 /nfs/dbraw/zinc/21/92/29/1344219229.db2.gz NGHIDHBFLZAFRX-UHFFFAOYSA-N -1 1 331.280 2.354 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1F ZINC001578880185 1344313835 /nfs/dbraw/zinc/31/38/35/1344313835.db2.gz XITMAEMOLNHARY-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1F ZINC001578880185 1344313841 /nfs/dbraw/zinc/31/38/41/1344313841.db2.gz XITMAEMOLNHARY-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001579478587 1344387064 /nfs/dbraw/zinc/38/70/64/1344387064.db2.gz OTABZVGBMGJFIS-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001579478587 1344387068 /nfs/dbraw/zinc/38/70/68/1344387068.db2.gz OTABZVGBMGJFIS-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001579482057 1344388618 /nfs/dbraw/zinc/38/86/18/1344388618.db2.gz NYVKTTJXXSLRFJ-UHFFFAOYSA-N -1 1 335.367 2.169 20 0 EEADMM COC(=O)c1ccc(C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001579482057 1344388623 /nfs/dbraw/zinc/38/86/23/1344388623.db2.gz NYVKTTJXXSLRFJ-UHFFFAOYSA-N -1 1 335.367 2.169 20 0 EEADMM COc1ncc(NC(=O)c2cc(F)ccc2Cl)cc1-c1nn[n-]n1 ZINC001580137898 1344479896 /nfs/dbraw/zinc/47/98/96/1344479896.db2.gz CEAHUAXBYLQCKN-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM Cc1nnc(CN(C(=O)c2csc(-c3nn[n-]n3)c2)C(C)(C)C)o1 ZINC001581609635 1344643811 /nfs/dbraw/zinc/64/38/11/1344643811.db2.gz PIADISJDJGWFKH-UHFFFAOYSA-N -1 1 347.404 2.061 20 0 EEADMM O=C(NCCc1ccccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582527086 1344758234 /nfs/dbraw/zinc/75/82/34/1344758234.db2.gz OCZBFOQNLNWICB-UHFFFAOYSA-N -1 1 346.391 2.109 20 0 EEADMM O=C(NCc1cc(O)ccc1Cl)c1csc(-c2nn[n-]n2)c1 ZINC001582545684 1344760159 /nfs/dbraw/zinc/76/01/59/1344760159.db2.gz VLENZGKVGUDSAF-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM COc1ccccc1-c1csc(NC(=O)CCCc2nn[n-]n2)n1 ZINC001585271796 1348789394 /nfs/dbraw/zinc/78/93/94/1348789394.db2.gz PEBPIPNMGAHVCZ-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1nnc2ccccc2c1O ZINC001587743784 1348871362 /nfs/dbraw/zinc/87/13/62/1348871362.db2.gz AKOFGUWCPQDKIX-JTQLQIEISA-N -1 1 343.368 2.291 20 0 EEADMM C(=Cc1ccccc1)c1nnnn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001588381551 1348899711 /nfs/dbraw/zinc/89/97/11/1348899711.db2.gz HZWKPCVDLLSZGD-RMKNXTFCSA-N -1 1 336.384 2.133 20 0 EEADMM CC(C)(C)CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001589127424 1348963427 /nfs/dbraw/zinc/96/34/27/1348963427.db2.gz PMNAAMMMHWMULJ-UHFFFAOYSA-N -1 1 337.387 2.350 20 0 EEADMM CC(C)(C)CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001589127424 1348963431 /nfs/dbraw/zinc/96/34/31/1348963431.db2.gz PMNAAMMMHWMULJ-UHFFFAOYSA-N -1 1 337.387 2.350 20 0 EEADMM CC(C)(C)c1csc(CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001589235706 1348973589 /nfs/dbraw/zinc/97/35/89/1348973589.db2.gz KHIZIFBDENDJBC-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)(C)c1csc(CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001589235706 1348973592 /nfs/dbraw/zinc/97/35/92/1348973592.db2.gz KHIZIFBDENDJBC-UHFFFAOYSA-N -1 1 330.421 2.065 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001589461415 1348991915 /nfs/dbraw/zinc/99/19/15/1348991915.db2.gz XDWBKCBQZQJRIK-AWEZNQCLSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC001589517064 1348998987 /nfs/dbraw/zinc/99/89/87/1348998987.db2.gz KUFKLSWVZFETFY-GFCCVEGCSA-N -1 1 335.408 2.219 20 0 EEADMM CC(C)[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC001589517064 1348998989 /nfs/dbraw/zinc/99/89/89/1348998989.db2.gz KUFKLSWVZFETFY-GFCCVEGCSA-N -1 1 335.408 2.219 20 0 EEADMM C[C@H](CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccco1 ZINC001589794173 1349045001 /nfs/dbraw/zinc/04/50/01/1349045001.db2.gz JOYQTWGFRMTSGS-MRVPVSSYSA-N -1 1 327.348 2.193 20 0 EEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589898967 1349055724 /nfs/dbraw/zinc/05/57/24/1349055724.db2.gz BEFOEWILCBGIHH-MRVPVSSYSA-N -1 1 331.767 2.061 20 0 EEADMM C[C@H](Nc1cccnc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC001589985845 1349093397 /nfs/dbraw/zinc/09/33/97/1349093397.db2.gz SHQITRMXHQUUEQ-VCGICTTQSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](Nc1cccnc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC001589985845 1349093403 /nfs/dbraw/zinc/09/34/03/1349093403.db2.gz SHQITRMXHQUUEQ-VCGICTTQSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001590048632 1349129421 /nfs/dbraw/zinc/12/94/21/1349129421.db2.gz BNBQBXDNWBXVBQ-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590051394 1349131116 /nfs/dbraw/zinc/13/11/16/1349131116.db2.gz RYAGYMOFEPOAKH-VIFPVBQESA-N -1 1 332.389 2.424 20 0 EEADMM C[C@]1(Br)C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590055033 1349133150 /nfs/dbraw/zinc/13/31/50/1349133150.db2.gz OVSYXNUDRCFMLG-KGFZYKRKSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@]1(Br)C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590055033 1349133155 /nfs/dbraw/zinc/13/31/55/1349133155.db2.gz OVSYXNUDRCFMLG-KGFZYKRKSA-N -1 1 343.206 2.259 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(F)F ZINC001590076903 1349140470 /nfs/dbraw/zinc/14/04/70/1349140470.db2.gz NHCUMYSWCLQTGB-SECBINFHSA-N -1 1 325.294 2.027 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(F)F ZINC001590076903 1349140475 /nfs/dbraw/zinc/14/04/75/1349140475.db2.gz NHCUMYSWCLQTGB-SECBINFHSA-N -1 1 325.294 2.027 20 0 EEADMM CC1(C)CCC[C@]1(O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001590098542 1349154224 /nfs/dbraw/zinc/15/42/24/1349154224.db2.gz UHOFJCGXFMNDSG-LBPRGKRZSA-N -1 1 328.829 2.330 20 0 EEADMM CC1(C)CCC[C@]1(O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001590098542 1349154229 /nfs/dbraw/zinc/15/42/29/1349154229.db2.gz UHOFJCGXFMNDSG-LBPRGKRZSA-N -1 1 328.829 2.330 20 0 EEADMM CC1(C)CCC[C@](O)(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590098469 1349154487 /nfs/dbraw/zinc/15/44/87/1349154487.db2.gz SXHNSAIQEOBQGV-QGZVFWFLSA-N -1 1 348.378 2.494 20 0 EEADMM CC1(C)CCC[C@](O)(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590098469 1349154493 /nfs/dbraw/zinc/15/44/93/1349154493.db2.gz SXHNSAIQEOBQGV-QGZVFWFLSA-N -1 1 348.378 2.494 20 0 EEADMM CC1(C)N[C@@H](c2ccc(-c3nn[n-]n3)s2)N(c2ccccc2)C1=O ZINC001590115228 1349161017 /nfs/dbraw/zinc/16/10/17/1349161017.db2.gz NTLBLWNFFUBUMD-CQSZACIVSA-N -1 1 340.412 2.342 20 0 EEADMM C[C@@]1(F)CCCN(c2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001590142107 1349174547 /nfs/dbraw/zinc/17/45/47/1349174547.db2.gz UABGEEQCOUBZJW-GFCCVEGCSA-N -1 1 341.188 2.353 20 0 EEADMM C[C@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC[C@H]1O ZINC001590134887 1349170669 /nfs/dbraw/zinc/17/06/69/1349170669.db2.gz LQWNNJJWOXGZGK-JMCQJSRRSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC[C@H]1O ZINC001590134887 1349170672 /nfs/dbraw/zinc/17/06/72/1349170672.db2.gz LQWNNJJWOXGZGK-JMCQJSRRSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(F)CCCN(c2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001590142107 1349174545 /nfs/dbraw/zinc/17/45/45/1349174545.db2.gz UABGEEQCOUBZJW-GFCCVEGCSA-N -1 1 341.188 2.353 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590242119 1349222024 /nfs/dbraw/zinc/22/20/24/1349222024.db2.gz ZKUUNBNSFLCKTH-OSRDXIQISA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590242119 1349222030 /nfs/dbraw/zinc/22/20/30/1349222030.db2.gz ZKUUNBNSFLCKTH-OSRDXIQISA-N -1 1 328.420 2.028 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590253518 1349228568 /nfs/dbraw/zinc/22/85/68/1349228568.db2.gz IHRJYTALCRUERF-VHSXEESVSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590253518 1349228571 /nfs/dbraw/zinc/22/85/71/1349228571.db2.gz IHRJYTALCRUERF-VHSXEESVSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590253405 1349229078 /nfs/dbraw/zinc/22/90/78/1349229078.db2.gz FGKRSEFPOODIAP-ZYHUDNBSSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590279393 1349245065 /nfs/dbraw/zinc/24/50/65/1349245065.db2.gz KJPUZRYIKNCRQI-BDJLRTHQSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590279393 1349245073 /nfs/dbraw/zinc/24/50/73/1349245073.db2.gz KJPUZRYIKNCRQI-BDJLRTHQSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CCc2nc(CNCc3nc(-c4nnn[n-]4)cs3)sc2C1 ZINC001590284356 1349246101 /nfs/dbraw/zinc/24/61/01/1349246101.db2.gz XYSGSSQIZBXMKQ-QMMMGPOBSA-N -1 1 347.473 2.194 20 0 EEADMM C[C@H]1CCc2nc(CNCc3nc(-c4nn[n-]n4)cs3)sc2C1 ZINC001590284356 1349246112 /nfs/dbraw/zinc/24/61/12/1349246112.db2.gz XYSGSSQIZBXMKQ-QMMMGPOBSA-N -1 1 347.473 2.194 20 0 EEADMM C[C@H]1CSCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001590327349 1349266351 /nfs/dbraw/zinc/26/63/51/1349266351.db2.gz NBVWUZNMFFQDJQ-MRVPVSSYSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@H]1CSCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001590327349 1349266357 /nfs/dbraw/zinc/26/63/57/1349266357.db2.gz NBVWUZNMFFQDJQ-MRVPVSSYSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590334895 1349271497 /nfs/dbraw/zinc/27/14/97/1349271497.db2.gz DVONWMWNLUMENH-AMIZOPFISA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590334895 1349271501 /nfs/dbraw/zinc/27/15/01/1349271501.db2.gz DVONWMWNLUMENH-AMIZOPFISA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590339617 1349275552 /nfs/dbraw/zinc/27/55/52/1349275552.db2.gz XBKZZVAFQBJZDS-JTQLQIEISA-N -1 1 340.412 2.012 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590339617 1349275557 /nfs/dbraw/zinc/27/55/57/1349275557.db2.gz XBKZZVAFQBJZDS-JTQLQIEISA-N -1 1 340.412 2.012 20 0 EEADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cc(F)ccc1OC ZINC001590472537 1349345629 /nfs/dbraw/zinc/34/56/29/1349345629.db2.gz FMJQQBWWIUEKIW-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cc(F)ccc1OC ZINC001590472537 1349345639 /nfs/dbraw/zinc/34/56/39/1349345639.db2.gz FMJQQBWWIUEKIW-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@H]1C[C@@H](CC(=O)Nc2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001590503850 1349357727 /nfs/dbraw/zinc/35/77/27/1349357727.db2.gz SOTYKZLQURXLLD-UWVGGRQHSA-N -1 1 336.421 2.165 20 0 EEADMM CC[C@H]1C[C@@H](CC(=O)Nc2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590503850 1349357732 /nfs/dbraw/zinc/35/77/32/1349357732.db2.gz SOTYKZLQURXLLD-UWVGGRQHSA-N -1 1 336.421 2.165 20 0 EEADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1OC ZINC001590554825 1349369800 /nfs/dbraw/zinc/36/98/00/1349369800.db2.gz LMQWRCRKWVEELF-NSHDSACASA-N -1 1 339.421 2.196 20 0 EEADMM CCCN(C(=O)[C@H](CC)OCC)c1snc(C)c1-c1nnn[n-]1 ZINC001590616252 1349377651 /nfs/dbraw/zinc/37/76/51/1349377651.db2.gz VROGHBQGTHCFAN-JTQLQIEISA-N -1 1 338.437 2.190 20 0 EEADMM CCCN(C(=O)[C@H](CC)OCC)c1snc(C)c1-c1nn[n-]n1 ZINC001590616252 1349377655 /nfs/dbraw/zinc/37/76/55/1349377655.db2.gz VROGHBQGTHCFAN-JTQLQIEISA-N -1 1 338.437 2.190 20 0 EEADMM CCO[C@H](c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1)c1ccccc1 ZINC001590785651 1349398340 /nfs/dbraw/zinc/39/83/40/1349398340.db2.gz RSCSQZPJPABCGW-AWEZNQCLSA-N -1 1 349.354 2.438 20 0 EEADMM CCO[C@H](c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1)c1ccccc1 ZINC001590785651 1349398345 /nfs/dbraw/zinc/39/83/45/1349398345.db2.gz RSCSQZPJPABCGW-AWEZNQCLSA-N -1 1 349.354 2.438 20 0 EEADMM CCc1nc(NCCC2C[C@H](C)O[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590920501 1349411820 /nfs/dbraw/zinc/41/18/20/1349411820.db2.gz XUCHFTXQUIMQDG-QWRGUYRKSA-N -1 1 331.424 2.225 20 0 EEADMM CCc1nc(NCCC2C[C@H](C)O[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590920501 1349411827 /nfs/dbraw/zinc/41/18/27/1349411827.db2.gz XUCHFTXQUIMQDG-QWRGUYRKSA-N -1 1 331.424 2.225 20 0 EEADMM CCc1nc(NCCc2cccc3[nH]ccc32)cc(-c2nnn[n-]2)n1 ZINC001590922132 1349412264 /nfs/dbraw/zinc/41/22/64/1349412264.db2.gz CYKGUFRVHSVNSO-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1nc(NCCc2cccc3[nH]ccc32)cc(-c2nn[n-]n2)n1 ZINC001590922132 1349412268 /nfs/dbraw/zinc/41/22/68/1349412268.db2.gz CYKGUFRVHSVNSO-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1nc(Nc2cnn([C@H](C)C3CC3)c2)cc(-c2nnn[n-]2)n1 ZINC001590924978 1349414427 /nfs/dbraw/zinc/41/44/27/1349414427.db2.gz HVVBLZDQWZJISL-SECBINFHSA-N -1 1 325.380 2.130 20 0 EEADMM CCc1nc(Nc2cnn([C@H](C)C3CC3)c2)cc(-c2nn[n-]n2)n1 ZINC001590924978 1349414432 /nfs/dbraw/zinc/41/44/32/1349414432.db2.gz HVVBLZDQWZJISL-SECBINFHSA-N -1 1 325.380 2.130 20 0 EEADMM CN(Cc1nc2ccccc2o1)Cc1nc(-c2nnn[n-]2)cs1 ZINC001591152526 1349440717 /nfs/dbraw/zinc/44/07/17/1349440717.db2.gz CHMIPZLKOCETKX-UHFFFAOYSA-N -1 1 327.373 2.096 20 0 EEADMM CN(Cc1nc2ccccc2o1)Cc1nc(-c2nn[n-]n2)cs1 ZINC001591152526 1349440726 /nfs/dbraw/zinc/44/07/26/1349440726.db2.gz CHMIPZLKOCETKX-UHFFFAOYSA-N -1 1 327.373 2.096 20 0 EEADMM CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1(C)C ZINC001591358441 1349471585 /nfs/dbraw/zinc/47/15/85/1349471585.db2.gz PKHBKQIEWISKMN-CYBMUJFWSA-N -1 1 339.403 2.061 20 0 EEADMM CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1(C)C ZINC001591358441 1349471589 /nfs/dbraw/zinc/47/15/89/1349471589.db2.gz PKHBKQIEWISKMN-CYBMUJFWSA-N -1 1 339.403 2.061 20 0 EEADMM COCCc1cccc(OC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591447559 1349486462 /nfs/dbraw/zinc/48/64/62/1349486462.db2.gz SUZNTSLJZZCFJR-UHFFFAOYSA-N -1 1 342.330 2.414 20 0 EEADMM COCCc1cccc(OC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591447559 1349486464 /nfs/dbraw/zinc/48/64/64/1349486464.db2.gz SUZNTSLJZZCFJR-UHFFFAOYSA-N -1 1 342.330 2.414 20 0 EEADMM COc1c(C)cnc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C ZINC001591480151 1349490832 /nfs/dbraw/zinc/49/08/32/1349490832.db2.gz WIQVXSBUEBMHKI-UHFFFAOYSA-N -1 1 343.343 2.146 20 0 EEADMM COc1c(C)cnc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C ZINC001591480151 1349490837 /nfs/dbraw/zinc/49/08/37/1349490837.db2.gz WIQVXSBUEBMHKI-UHFFFAOYSA-N -1 1 343.343 2.146 20 0 EEADMM COc1cc(CNc2cnc(-c3nnn[n-]3)cn2)ccc1OC(C)C ZINC001591536990 1349500643 /nfs/dbraw/zinc/50/06/43/1349500643.db2.gz GFQRXUZEEPICEA-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1cc(CNc2cnc(-c3nn[n-]n3)cn2)ccc1OC(C)C ZINC001591536990 1349500651 /nfs/dbraw/zinc/50/06/51/1349500651.db2.gz GFQRXUZEEPICEA-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591604751 1349513148 /nfs/dbraw/zinc/51/31/48/1349513148.db2.gz DGZAMZRPKDIVFR-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591604751 1349513154 /nfs/dbraw/zinc/51/31/54/1349513154.db2.gz DGZAMZRPKDIVFR-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM Cc1cc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)ccc1F ZINC001591958929 1349568013 /nfs/dbraw/zinc/56/80/13/1349568013.db2.gz IMWMBUFJXKVDES-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)ccc1F ZINC001591958929 1349568023 /nfs/dbraw/zinc/56/80/23/1349568023.db2.gz IMWMBUFJXKVDES-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc2c(cc1C)O[C@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)C2 ZINC001592071291 1349588966 /nfs/dbraw/zinc/58/89/66/1349588966.db2.gz SLPJBNRCCHYOEL-HNNXBMFYSA-N -1 1 340.339 2.123 20 0 EEADMM Cc1cc2c(cc1C)O[C@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)C2 ZINC001592071291 1349588970 /nfs/dbraw/zinc/58/89/70/1349588970.db2.gz SLPJBNRCCHYOEL-HNNXBMFYSA-N -1 1 340.339 2.123 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)nc1-c1nnn[n-]1 ZINC001592174332 1349602350 /nfs/dbraw/zinc/60/23/50/1349602350.db2.gz AVLAIIOURKNYJH-NXEZZACHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)nc1-c1nn[n-]n1 ZINC001592174332 1349602357 /nfs/dbraw/zinc/60/23/57/1349602357.db2.gz AVLAIIOURKNYJH-NXEZZACHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1cnc(-c2nnn[n-]2)cn1)CC3 ZINC001592198696 1349605484 /nfs/dbraw/zinc/60/54/84/1349605484.db2.gz OEMPFBBRRYQRAE-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1cnc(-c2nn[n-]n2)cn1)CC3 ZINC001592198696 1349605489 /nfs/dbraw/zinc/60/54/89/1349605489.db2.gz OEMPFBBRRYQRAE-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1[nH]nc(NC(=O)CCSc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001592198146 1349605675 /nfs/dbraw/zinc/60/56/75/1349605675.db2.gz NFHRSPONBVLYHO-UHFFFAOYSA-N -1 1 343.416 2.328 20 0 EEADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592205774 1349608547 /nfs/dbraw/zinc/60/85/47/1349608547.db2.gz QYSBZLRVLRTNKE-SNVBAGLBSA-N -1 1 325.328 2.196 20 0 EEADMM Cc1ccc2cnccc2c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592205941 1349609426 /nfs/dbraw/zinc/60/94/26/1349609426.db2.gz CPSVWZNUMWPUAQ-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1ccc2cnccc2c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592205941 1349609429 /nfs/dbraw/zinc/60/94/29/1349609429.db2.gz CPSVWZNUMWPUAQ-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC001592328201 1349621673 /nfs/dbraw/zinc/62/16/73/1349621673.db2.gz ORBCQYPHWAAUJZ-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1nn(C)c(NC(=O)CCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001592434505 1349632031 /nfs/dbraw/zinc/63/20/31/1349632031.db2.gz XICVOLFOZICXOT-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1nn(C)c(NC(=O)CCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001592434505 1349632032 /nfs/dbraw/zinc/63/20/32/1349632032.db2.gz XICVOLFOZICXOT-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1nsc(NC(=O)[C@@]2(C)CCc3ccccc32)c1-c1nnn[n-]1 ZINC001592479787 1349635612 /nfs/dbraw/zinc/63/56/12/1349635612.db2.gz PRPHCENPTRSQKL-INIZCTEOSA-N -1 1 340.412 2.474 20 0 EEADMM Cc1nsc(NC(=O)[C@@]2(C)CCc3ccccc32)c1-c1nn[n-]n1 ZINC001592479787 1349635616 /nfs/dbraw/zinc/63/56/16/1349635616.db2.gz PRPHCENPTRSQKL-INIZCTEOSA-N -1 1 340.412 2.474 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccccc2F)c1-c1nnn[n-]1 ZINC001592479735 1349635692 /nfs/dbraw/zinc/63/56/92/1349635692.db2.gz PGCYDKYJCFUFTF-VOTSOKGWSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccccc2F)c1-c1nn[n-]n1 ZINC001592479735 1349635694 /nfs/dbraw/zinc/63/56/94/1349635694.db2.gz PGCYDKYJCFUFTF-VOTSOKGWSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(N[C@H]2CCc3cnn(C(C)C)c3C2)c1-c1nn[n-]n1 ZINC001592486904 1349636609 /nfs/dbraw/zinc/63/66/09/1349636609.db2.gz VDURWGGGQWUJGD-NSHDSACASA-N -1 1 344.448 2.378 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001592503621 1349640461 /nfs/dbraw/zinc/64/04/61/1349640461.db2.gz VZLMYABKLSUDEE-CHWSQXEVSA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001592503621 1349640463 /nfs/dbraw/zinc/64/04/63/1349640463.db2.gz VZLMYABKLSUDEE-CHWSQXEVSA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1C=CCC1 ZINC001592504948 1349642773 /nfs/dbraw/zinc/64/27/73/1349642773.db2.gz TVRFIBMTYZHSBN-GFCCVEGCSA-N -1 1 338.371 2.255 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1C=CCC1 ZINC001592504948 1349642775 /nfs/dbraw/zinc/64/27/75/1349642775.db2.gz TVRFIBMTYZHSBN-GFCCVEGCSA-N -1 1 338.371 2.255 20 0 EEADMM Clc1cccc2c1CCN(Cc1cccc(-c3nn[n-]n3)n1)C2 ZINC001592535530 1349650313 /nfs/dbraw/zinc/65/03/13/1349650313.db2.gz DPCZTAIKPGFRGY-UHFFFAOYSA-N -1 1 326.791 2.473 20 0 EEADMM Clc1nsc(N2CC[C@@H](c3ccccn3)C2)c1-c1nnn[n-]1 ZINC001592538556 1349652292 /nfs/dbraw/zinc/65/22/92/1349652292.db2.gz XDVCUWJCIHZZJB-MRVPVSSYSA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nsc(N2CC[C@@H](c3ccccn3)C2)c1-c1nn[n-]n1 ZINC001592538556 1349652293 /nfs/dbraw/zinc/65/22/93/1349652293.db2.gz XDVCUWJCIHZZJB-MRVPVSSYSA-N -1 1 333.808 2.366 20 0 EEADMM Cn1c(CNCc2ccc(-c3nnn[n-]3)o2)nc2cccc(Cl)c21 ZINC001592552520 1349656465 /nfs/dbraw/zinc/65/64/65/1349656465.db2.gz GCHAIPSRWQORCU-UHFFFAOYSA-N -1 1 343.778 2.290 20 0 EEADMM Cn1c(CNCc2ccc(-c3nn[n-]n3)o2)nc2cccc(Cl)c21 ZINC001592552520 1349656466 /nfs/dbraw/zinc/65/64/66/1349656466.db2.gz GCHAIPSRWQORCU-UHFFFAOYSA-N -1 1 343.778 2.290 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1cncc(-c2nnn[n-]2)n1 ZINC001592556941 1349657713 /nfs/dbraw/zinc/65/77/13/1349657713.db2.gz MSNRUTPGTVNILC-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1cncc(-c2nn[n-]n2)n1 ZINC001592556941 1349657717 /nfs/dbraw/zinc/65/77/17/1349657717.db2.gz MSNRUTPGTVNILC-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM Fc1ccc(C2(CNc3cncc(-c4nnn[n-]4)n3)CCC2)cc1 ZINC001592647657 1349693126 /nfs/dbraw/zinc/69/31/26/1349693126.db2.gz UZUZCWACHYXAIR-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1ccc(C2(CNc3cncc(-c4nn[n-]n4)n3)CCC2)cc1 ZINC001592647657 1349693131 /nfs/dbraw/zinc/69/31/31/1349693131.db2.gz UZUZCWACHYXAIR-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)c1csc2ccccc12 ZINC001592937254 1349728789 /nfs/dbraw/zinc/72/87/89/1349728789.db2.gz PFYDFAFZEILIIU-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C(NCC[C@@H]1CCSC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593065505 1349736073 /nfs/dbraw/zinc/73/60/73/1349736073.db2.gz KDOANIIYRDPCKT-SNVBAGLBSA-N -1 1 342.428 2.221 20 0 EEADMM O=C(NCCCNc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001593076003 1349737058 /nfs/dbraw/zinc/73/70/58/1349737058.db2.gz NWJFGWRPZZYPFO-UHFFFAOYSA-N -1 1 346.391 2.299 20 0 EEADMM O=C(NCCCNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001593076003 1349737060 /nfs/dbraw/zinc/73/70/60/1349737060.db2.gz NWJFGWRPZZYPFO-UHFFFAOYSA-N -1 1 346.391 2.299 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2cc(F)ccc2o1 ZINC001593145998 1349742113 /nfs/dbraw/zinc/74/21/13/1349742113.db2.gz DLWVLZFOXULJMG-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2cc(F)ccc2o1 ZINC001593145998 1349742114 /nfs/dbraw/zinc/74/21/14/1349742114.db2.gz DLWVLZFOXULJMG-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)cc2ccoc21 ZINC001593146616 1349742695 /nfs/dbraw/zinc/74/26/95/1349742695.db2.gz XATRAAYSMAUPQL-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)cc2ccoc21 ZINC001593146616 1349742699 /nfs/dbraw/zinc/74/26/99/1349742699.db2.gz XATRAAYSMAUPQL-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001593258047 1349752561 /nfs/dbraw/zinc/75/25/61/1349752561.db2.gz CTXXTPBHZIDJOF-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001593258047 1349752566 /nfs/dbraw/zinc/75/25/66/1349752566.db2.gz CTXXTPBHZIDJOF-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1nc(C2CC2)c[nH]1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593263193 1349754876 /nfs/dbraw/zinc/75/48/76/1349754876.db2.gz HMJBHPJAQABNGU-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccsc1-c1nnn[n-]1 ZINC001593285922 1349764635 /nfs/dbraw/zinc/76/46/35/1349764635.db2.gz ZYVVMFRXDHPETL-XPUUQOCRSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1ccsc1-c1nn[n-]n1 ZINC001593285922 1349764640 /nfs/dbraw/zinc/76/46/40/1349764640.db2.gz ZYVVMFRXDHPETL-XPUUQOCRSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OCCCc1cccnc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593289216 1349765959 /nfs/dbraw/zinc/76/59/59/1349765959.db2.gz ITAIGRDPEZOSLD-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCCCc1cccnc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593289216 1349765964 /nfs/dbraw/zinc/76/59/64/1349765964.db2.gz ITAIGRDPEZOSLD-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@@]12CCc1ccccc12 ZINC001593297458 1349771967 /nfs/dbraw/zinc/77/19/67/1349771967.db2.gz JNPKPFUIMNTWQB-RDTXWAMCSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@@]12CCc1ccccc12 ZINC001593297458 1349771976 /nfs/dbraw/zinc/77/19/76/1349771976.db2.gz JNPKPFUIMNTWQB-RDTXWAMCSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(Oc1ccc(C(F)(F)F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593307390 1349776858 /nfs/dbraw/zinc/77/68/58/1349776858.db2.gz CAFGRLHWVHRLFK-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(Oc1ccc(C(F)(F)F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593307390 1349776863 /nfs/dbraw/zinc/77/68/63/1349776863.db2.gz CAFGRLHWVHRLFK-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC(C(F)F)CC1 ZINC001593313943 1349777740 /nfs/dbraw/zinc/77/77/40/1349777740.db2.gz HWUOQHHPHSBZLC-UHFFFAOYSA-N -1 1 346.341 2.465 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593329356 1349782440 /nfs/dbraw/zinc/78/24/40/1349782440.db2.gz LYBPZJZXIINCME-NHYWBVRUSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001593329356 1349782444 /nfs/dbraw/zinc/78/24/44/1349782444.db2.gz LYBPZJZXIINCME-NHYWBVRUSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCc2cccnc21 ZINC001593338010 1349783261 /nfs/dbraw/zinc/78/32/61/1349783261.db2.gz FEHRTMNODHUIDO-UHFFFAOYSA-N -1 1 326.385 2.306 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCc2cccnc21 ZINC001593338010 1349783264 /nfs/dbraw/zinc/78/32/64/1349783264.db2.gz FEHRTMNODHUIDO-UHFFFAOYSA-N -1 1 326.385 2.306 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001593361989 1349790558 /nfs/dbraw/zinc/79/05/58/1349790558.db2.gz FWCCYKWIFZCDCX-CYZMBNFOSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001593361989 1349790561 /nfs/dbraw/zinc/79/05/61/1349790561.db2.gz FWCCYKWIFZCDCX-CYZMBNFOSA-N -1 1 347.444 2.084 20 0 EEADMM O=C1[C@H](SCc2ccc(-c3nnn[n-]3)o2)CCN1c1ccccc1 ZINC001593382719 1349795304 /nfs/dbraw/zinc/79/53/04/1349795304.db2.gz QNAMJLTVBFCCQW-CQSZACIVSA-N -1 1 341.396 2.498 20 0 EEADMM O=C1[C@H](SCc2ccc(-c3nn[n-]n3)o2)CCN1c1ccccc1 ZINC001593382719 1349795307 /nfs/dbraw/zinc/79/53/07/1349795307.db2.gz QNAMJLTVBFCCQW-CQSZACIVSA-N -1 1 341.396 2.498 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cccc(Cl)c1)CCC2 ZINC001593490552 1349817766 /nfs/dbraw/zinc/81/77/66/1349817766.db2.gz JLGGLEVTVULQFX-UHFFFAOYSA-N -1 1 327.775 2.219 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1sccc1Cl)CCC2 ZINC001593493091 1349817985 /nfs/dbraw/zinc/81/79/85/1349817985.db2.gz XQXNGCQGVLDADT-UHFFFAOYSA-N -1 1 333.804 2.280 20 0 EEADMM O=c1ccn(C2CC2)c(SCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001593498111 1349820645 /nfs/dbraw/zinc/82/06/45/1349820645.db2.gz YXOBGMJDHINCBM-UHFFFAOYSA-N -1 1 332.414 2.112 20 0 EEADMM OC[C@@H]1c2ccccc2CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593528574 1349831756 /nfs/dbraw/zinc/83/17/56/1349831756.db2.gz IZXHRSKLKMLQEK-SNVBAGLBSA-N -1 1 348.819 2.073 20 0 EEADMM OC[C@@H]1c2ccccc2CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593528574 1349831761 /nfs/dbraw/zinc/83/17/61/1349831761.db2.gz IZXHRSKLKMLQEK-SNVBAGLBSA-N -1 1 348.819 2.073 20 0 EEADMM c1c(N[C@H](C2CC2)C2CCOCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543320 1349838732 /nfs/dbraw/zinc/83/87/32/1349838732.db2.gz KBTHVXMRUTVANH-OAHLLOKOSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@H](C2CC2)C2CCOCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543320 1349838735 /nfs/dbraw/zinc/83/87/35/1349838735.db2.gz KBTHVXMRUTVANH-OAHLLOKOSA-N -1 1 341.419 2.151 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001593563024 1349850216 /nfs/dbraw/zinc/85/02/16/1349850216.db2.gz WAEVVVUQDBWTPS-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001593563024 1349850220 /nfs/dbraw/zinc/85/02/20/1349850220.db2.gz WAEVVVUQDBWTPS-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC001597132656 1349918543 /nfs/dbraw/zinc/91/85/43/1349918543.db2.gz NIDNVSTXPCLEDP-UHFFFAOYSA-N -1 1 349.807 2.333 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1C1CCOCC1 ZINC001600012427 1349955189 /nfs/dbraw/zinc/95/51/89/1349955189.db2.gz IETJBZQZKXZVDR-GFCCVEGCSA-N -1 1 327.812 2.392 20 0 EEADMM Cc1c(Cl)nccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001600037158 1349959440 /nfs/dbraw/zinc/95/94/40/1349959440.db2.gz PMIIXMGCAARWLP-SNVBAGLBSA-N -1 1 340.811 2.056 20 0 EEADMM Cc1ccc(-c2ccc(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)s2)o1 ZINC001600313866 1350018233 /nfs/dbraw/zinc/01/82/33/1350018233.db2.gz 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Cc1sc([C@H]2CCCN2CCOC2CCOCC2)nc1C(=O)[O-] ZINC001600885074 1350160503 /nfs/dbraw/zinc/16/05/03/1350160503.db2.gz UPYQWOICSYYGIB-CYBMUJFWSA-N -1 1 340.445 2.482 20 0 EEADMM Cn1c(CNC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1C(=O)[O-] ZINC001600916170 1350167320 /nfs/dbraw/zinc/16/73/20/1350167320.db2.gz OZZMYOXLYXDRJG-OAHLLOKOSA-N -1 1 342.317 2.263 20 0 EEADMM NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601139385 1350219220 /nfs/dbraw/zinc/21/92/20/1350219220.db2.gz KRCYBOMZLBTJNH-GXTWGEPZSA-N -1 1 345.424 2.247 20 0 EEADMM O=C(Cc1n[nH]c(C2CC2)n1)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001601375534 1350269744 /nfs/dbraw/zinc/26/97/44/1350269744.db2.gz PMBZVBPXCKWNDU-QWHCGFSZSA-N -1 1 326.356 2.051 20 0 EEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001601638641 1350325466 /nfs/dbraw/zinc/32/54/66/1350325466.db2.gz SYVPURLJPWTSCE-CHWSQXEVSA-N -1 1 344.333 2.173 20 0 EEADMM O=C([O-])[C@@H](c1cccnc1)N1CCN(CCc2ccccc2)CC1 ZINC001601698900 1350341908 /nfs/dbraw/zinc/34/19/08/1350341908.db2.gz RQMSUFMCQCFNIO-GOSISDBHSA-N -1 1 325.412 2.068 20 0 EEADMM O=C([O-])C1([C@]2(O)CCCN(Cc3cnc(Cl)s3)C2)CCC1 ZINC001601706421 1350343898 /nfs/dbraw/zinc/34/38/98/1350343898.db2.gz PKCYEMXXXMXTRB-AWEZNQCLSA-N -1 1 330.837 2.378 20 0 EEADMM O=C([O-])C1(C2(O)CCN(Cc3n[nH]c4ccccc43)CC2)CCC1 ZINC001601707312 1350344156 /nfs/dbraw/zinc/34/41/56/1350344156.db2.gz LOVZERPQTIODCI-UHFFFAOYSA-N -1 1 329.400 2.145 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(Cc3cccc(OC(F)F)c3)C2)C1 ZINC001601746853 1350354279 /nfs/dbraw/zinc/35/42/79/1350354279.db2.gz RCVFREWXZWAQCL-OAHLLOKOSA-N -1 1 326.299 2.093 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2F)cc1 ZINC001601771459 1350360868 /nfs/dbraw/zinc/36/08/68/1350360868.db2.gz FGGNQRHPPMPOIK-QAPCUYQASA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1coc3ccccc13)C[C@@H]2C(=O)[O-] ZINC001601784236 1350364085 /nfs/dbraw/zinc/36/40/85/1350364085.db2.gz ZJRQGIOHRNUVIR-NDBLMLTRSA-N -1 1 329.352 2.430 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC001602124518 1350445303 /nfs/dbraw/zinc/44/53/03/1350445303.db2.gz MXGXZBHTQSERGT-LSDHHAIUSA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1 ZINC001602124518 1350445305 /nfs/dbraw/zinc/44/53/05/1350445305.db2.gz MXGXZBHTQSERGT-LSDHHAIUSA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])Cn1ncc2ccc(NC(=O)c3cccc4nc[nH]c43)cc21 ZINC001602168136 1350456645 /nfs/dbraw/zinc/45/66/45/1350456645.db2.gz DXTXHPTYKIXQMF-UHFFFAOYSA-N -1 1 335.323 2.250 20 0 EEADMM O=C([O-])c1ccc(F)c(CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC001602364269 1350504280 /nfs/dbraw/zinc/50/42/80/1350504280.db2.gz XUJJDUGRECZXPJ-INIZCTEOSA-N -1 1 336.407 2.211 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(Cl)ccc2Cl)o1 ZINC001602402480 1350511169 /nfs/dbraw/zinc/51/11/69/1350511169.db2.gz HJTUNMDEOPUULV-UHFFFAOYSA-N -1 1 337.140 2.480 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC001602408445 1350512880 /nfs/dbraw/zinc/51/28/80/1350512880.db2.gz WNMPXLRTHKEPMQ-STQMWFEESA-N -1 1 328.368 2.017 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CCN(CC4CC4)CC3)c2c1 ZINC001602409868 1350513352 /nfs/dbraw/zinc/51/33/52/1350513352.db2.gz OIFPDIGYJKQHAB-UHFFFAOYSA-N -1 1 341.411 2.076 20 0 EEADMM O=C([O-])c1cnc(N[C@H]2CCc3[nH]cnc3C2)cc1C(F)(F)F ZINC001602531534 1350539856 /nfs/dbraw/zinc/53/98/56/1350539856.db2.gz PLJLUDHLDKQWJZ-ZETCQYMHSA-N -1 1 326.278 2.491 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001602586402 1350551829 /nfs/dbraw/zinc/55/18/29/1350551829.db2.gz DXUCDUBBZBMSET-UHFFFAOYSA-N -1 1 341.345 2.263 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3ccccc3O)[nH]n1)C2 ZINC001602624641 1350560290 /nfs/dbraw/zinc/56/02/90/1350560290.db2.gz DXMUKNOHJAZMMN-VOJFVSQTSA-N -1 1 341.367 2.109 20 0 EEADMM CC(C)[C@@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603240236 1350669241 /nfs/dbraw/zinc/66/92/41/1350669241.db2.gz ANNGVTLVAPNZOT-PWSUYJOCSA-N -1 1 336.417 2.423 20 0 EEADMM CC1(C)CCC[C@@H]1CCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603774015 1350763734 /nfs/dbraw/zinc/76/37/34/1350763734.db2.gz PYALOHRMJXZEQC-SNVBAGLBSA-N -1 1 349.464 2.339 20 0 EEADMM CC1(C)CCC[C@@H]1CCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603774015 1350763739 /nfs/dbraw/zinc/76/37/39/1350763739.db2.gz PYALOHRMJXZEQC-SNVBAGLBSA-N -1 1 349.464 2.339 20 0 EEADMM C[C@@]1(COC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001603808790 1350773521 /nfs/dbraw/zinc/77/35/21/1350773521.db2.gz VLHZPAZPAYNUFD-NSHDSACASA-N -1 1 328.159 2.002 20 0 EEADMM C[C@@]1(COC(=O)c2ccnc(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001603808790 1350773525 /nfs/dbraw/zinc/77/35/25/1350773525.db2.gz VLHZPAZPAYNUFD-NSHDSACASA-N -1 1 328.159 2.002 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001603868350 1350787311 /nfs/dbraw/zinc/78/73/11/1350787311.db2.gz VYWPSJTWIKVCQR-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001603868350 1350787318 /nfs/dbraw/zinc/78/73/18/1350787318.db2.gz VYWPSJTWIKVCQR-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603945800 1350810759 /nfs/dbraw/zinc/81/07/59/1350810759.db2.gz CBNPDNIIAWDMCT-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM C[C@@H]1Cc2ccccc2N(Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C1 ZINC001603953487 1350812555 /nfs/dbraw/zinc/81/25/55/1350812555.db2.gz XMGHLUFTKHKDSY-GFCCVEGCSA-N -1 1 346.398 2.108 20 0 EEADMM C[C@@H]1Cc2ccccc2N(Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C1 ZINC001603953487 1350812559 /nfs/dbraw/zinc/81/25/59/1350812559.db2.gz XMGHLUFTKHKDSY-GFCCVEGCSA-N -1 1 346.398 2.108 20 0 EEADMM CC[C@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001603978552 1350817795 /nfs/dbraw/zinc/81/77/95/1350817795.db2.gz GNZIVRKJEYYWGW-NSHDSACASA-N -1 1 346.391 2.272 20 0 EEADMM CC[C@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001603978552 1350817798 /nfs/dbraw/zinc/81/77/98/1350817798.db2.gz GNZIVRKJEYYWGW-NSHDSACASA-N -1 1 346.391 2.272 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604029699 1350833626 /nfs/dbraw/zinc/83/36/26/1350833626.db2.gz LCPXYTUAURZQBO-AWEZNQCLSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604029699 1350833628 /nfs/dbraw/zinc/83/36/28/1350833628.db2.gz LCPXYTUAURZQBO-AWEZNQCLSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604102633 1350857891 /nfs/dbraw/zinc/85/78/91/1350857891.db2.gz FWUNOLDBGZFNKF-JSGCOSHPSA-N -1 1 345.403 2.290 20 0 EEADMM CC[C@H]1CCCC[C@@H]1OCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604102633 1350857893 /nfs/dbraw/zinc/85/78/93/1350857893.db2.gz FWUNOLDBGZFNKF-JSGCOSHPSA-N -1 1 345.403 2.290 20 0 EEADMM C[C@H](NC(=O)c1ccc2cncn2c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604312618 1350913329 /nfs/dbraw/zinc/91/33/29/1350913329.db2.gz AQBNUCOAFPTGMZ-SUMWQHHRSA-N -1 1 337.379 2.396 20 0 EEADMM CCOCCC1(CNc2cc(-c3nnn[n-]3)nc(C)n2)CCCC1 ZINC001604427052 1350935782 /nfs/dbraw/zinc/93/57/82/1350935782.db2.gz NKFRFGQKDDINOO-UHFFFAOYSA-N -1 1 331.424 2.364 20 0 EEADMM CCOCCC1(CNc2cc(-c3nn[n-]n3)nc(C)n2)CCCC1 ZINC001604427052 1350935783 /nfs/dbraw/zinc/93/57/83/1350935783.db2.gz NKFRFGQKDDINOO-UHFFFAOYSA-N -1 1 331.424 2.364 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCSC[C@H]2c2cnn(C)c2)O1 ZINC001604610019 1350969534 /nfs/dbraw/zinc/96/95/34/1350969534.db2.gz KQRNAYFKJDFXSZ-HIFRSBDPSA-N -1 1 337.445 2.048 20 0 EEADMM C[C@@H]1CC[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001604754237 1350997295 /nfs/dbraw/zinc/99/72/95/1350997295.db2.gz UVLMPNMUIUPHFS-MPHRNGTFSA-N -1 1 333.384 2.206 20 0 EEADMM C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCN1CCC(=O)[O-] ZINC001604771067 1351000151 /nfs/dbraw/zinc/00/01/51/1351000151.db2.gz ZNHXLOYKOGNRMX-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001604787418 1351003468 /nfs/dbraw/zinc/00/34/68/1351003468.db2.gz BKEWTXJBNVFOTE-ZFWWWQNUSA-N -1 1 328.428 2.302 20 0 EEADMM CN(Cc1ccc(Br)cc1)c1cncc(-c2nnn[n-]2)n1 ZINC001604808486 1351012057 /nfs/dbraw/zinc/01/20/57/1351012057.db2.gz BAVJFDMWRPRZCZ-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccc(Br)cc1)c1cncc(-c2nn[n-]n2)n1 ZINC001604808486 1351012062 /nfs/dbraw/zinc/01/20/62/1351012062.db2.gz BAVJFDMWRPRZCZ-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001604872020 1351023468 /nfs/dbraw/zinc/02/34/68/1351023468.db2.gz SZUJHDQQAIBLOS-DLBZAZTESA-N -1 1 332.444 2.466 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001604969846 1351041533 /nfs/dbraw/zinc/04/15/33/1351041533.db2.gz IBAJCJBITSXVOF-NHYWBVRUSA-N -1 1 331.372 2.013 20 0 EEADMM CO[C@H](CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1)C1CC1 ZINC001605008744 1351051913 /nfs/dbraw/zinc/05/19/13/1351051913.db2.gz KPCZNVCNHFDMDI-SNVBAGLBSA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@H](CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1)C1CC1 ZINC001605008744 1351051915 /nfs/dbraw/zinc/05/19/15/1351051915.db2.gz KPCZNVCNHFDMDI-SNVBAGLBSA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@@H](Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)C1CCC1 ZINC001605013202 1351054413 /nfs/dbraw/zinc/05/44/13/1351054413.db2.gz WGZCESSTOWLRIK-LBPRGKRZSA-N -1 1 331.401 2.058 20 0 EEADMM COC1CC(CCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001605025413 1351059234 /nfs/dbraw/zinc/05/92/34/1351059234.db2.gz VIKHLONSMWPUAV-UHFFFAOYSA-N -1 1 325.376 2.037 20 0 EEADMM COC1CC(CCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001605025413 1351059238 /nfs/dbraw/zinc/05/92/38/1351059238.db2.gz VIKHLONSMWPUAV-UHFFFAOYSA-N -1 1 325.376 2.037 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001605180167 1351097395 /nfs/dbraw/zinc/09/73/95/1351097395.db2.gz VXLNCFFXOVYTKD-AWEZNQCLSA-N -1 1 348.447 2.399 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1F ZINC001605264306 1351119221 /nfs/dbraw/zinc/11/92/21/1351119221.db2.gz ZTRBQRYLVSODGV-QMMMGPOBSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1F ZINC001605264306 1351119223 /nfs/dbraw/zinc/11/92/23/1351119223.db2.gz ZTRBQRYLVSODGV-QMMMGPOBSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001605268021 1351120146 /nfs/dbraw/zinc/12/01/46/1351120146.db2.gz HQQONGQDOQYSII-CYBMUJFWSA-N -1 1 341.350 2.146 20 0 EEADMM COc1ccc([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001605268021 1351120148 /nfs/dbraw/zinc/12/01/48/1351120148.db2.gz HQQONGQDOQYSII-CYBMUJFWSA-N -1 1 341.350 2.146 20 0 EEADMM COc1ccc(CCNc2cc(C)cc(-c3nnn[n-]3)n2)cc1OC ZINC001605274432 1351121610 /nfs/dbraw/zinc/12/16/10/1351121610.db2.gz WDKGORWLGNCUAC-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM COc1ccc(CCNc2cc(C)cc(-c3nn[n-]n3)n2)cc1OC ZINC001605274432 1351121613 /nfs/dbraw/zinc/12/16/13/1351121613.db2.gz WDKGORWLGNCUAC-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM COc1cccc2c1OCCC[C@H]2Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605325097 1351137903 /nfs/dbraw/zinc/13/79/03/1351137903.db2.gz IYTBAGWQPLJCJZ-CYBMUJFWSA-N -1 1 338.371 2.018 20 0 EEADMM COc1cccc2c1OCCC[C@H]2Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605325097 1351137905 /nfs/dbraw/zinc/13/79/05/1351137905.db2.gz IYTBAGWQPLJCJZ-CYBMUJFWSA-N -1 1 338.371 2.018 20 0 EEADMM CCN(CC)C(=O)CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001605424565 1351156398 /nfs/dbraw/zinc/15/63/98/1351156398.db2.gz LBFOAXBWTIUVGD-UHFFFAOYSA-N -1 1 332.322 2.362 20 0 EEADMM Cc1cc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc(C)n1 ZINC001605628225 1351204499 /nfs/dbraw/zinc/20/44/99/1351204499.db2.gz WYXKSKKROJKEPH-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001605795128 1351224613 /nfs/dbraw/zinc/22/46/13/1351224613.db2.gz XBAHEQSGLXCKQL-TVQRCGJNSA-N -1 1 337.387 2.203 20 0 EEADMM Cc1ccc(N[C@H]2c3ccccc3OC[C@@H]2F)nc1-c1nnn[n-]1 ZINC001605871896 1351242369 /nfs/dbraw/zinc/24/23/69/1351242369.db2.gz MVOFYJOANXIRLH-NHYWBVRUSA-N -1 1 326.335 2.454 20 0 EEADMM Cc1ccc(N[C@H]2c3ccccc3OC[C@@H]2F)nc1-c1nn[n-]n1 ZINC001605871896 1351242372 /nfs/dbraw/zinc/24/23/72/1351242372.db2.gz MVOFYJOANXIRLH-NHYWBVRUSA-N -1 1 326.335 2.454 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)[O-])n1)c1cccc(F)c1 ZINC001606012368 1351263732 /nfs/dbraw/zinc/26/37/32/1351263732.db2.gz VSZYCTDEJBQNJS-CQSZACIVSA-N -1 1 346.362 2.343 20 0 EEADMM Clc1nc(NC[C@@H]2COC3(CCCC3)O2)sc1-c1nnn[n-]1 ZINC001606200105 1351284875 /nfs/dbraw/zinc/28/48/75/1351284875.db2.gz WYGRTZBSULVBJD-SSDOTTSWSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nc(NC[C@@H]2COC3(CCCC3)O2)sc1-c1nn[n-]n1 ZINC001606200105 1351284878 /nfs/dbraw/zinc/28/48/78/1351284878.db2.gz WYGRTZBSULVBJD-SSDOTTSWSA-N -1 1 342.812 2.074 20 0 EEADMM O=C([N-]C1(c2ccc(-c3nn[nH]n3)cc2)CCC1)C(F)(F)C(F)F ZINC001606640324 1351335900 /nfs/dbraw/zinc/33/59/00/1351335900.db2.gz DZEMQCKFGJTEOG-UHFFFAOYSA-N -1 1 343.284 2.263 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646444 1351336545 /nfs/dbraw/zinc/33/65/45/1351336545.db2.gz CYZROMWCGXJCCD-RTXFEEFZSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646444 1351336548 /nfs/dbraw/zinc/33/65/48/1351336548.db2.gz CYZROMWCGXJCCD-RTXFEEFZSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(NCC1CCC2(CC2)CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606722248 1351346307 /nfs/dbraw/zinc/34/63/07/1351346307.db2.gz HLAZTYKYDSIPED-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(NCC1CCC2(CC2)CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606722248 1351346312 /nfs/dbraw/zinc/34/63/12/1351346312.db2.gz HLAZTYKYDSIPED-UHFFFAOYSA-N -1 1 327.392 2.354 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(C2CC2)cnc1Cl ZINC001606934938 1351379918 /nfs/dbraw/zinc/37/99/18/1351379918.db2.gz OMRIQBOKNZTEEB-UHFFFAOYSA-N -1 1 341.762 2.440 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(C2CC2)cnc1Cl ZINC001606934938 1351379921 /nfs/dbraw/zinc/37/99/21/1351379921.db2.gz OMRIQBOKNZTEEB-UHFFFAOYSA-N -1 1 341.762 2.440 20 0 EEADMM O=C(OCc1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606975368 1351389000 /nfs/dbraw/zinc/38/90/00/1351389000.db2.gz NEINCYVDJRKEOX-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606975368 1351389005 /nfs/dbraw/zinc/38/90/05/1351389005.db2.gz NEINCYVDJRKEOX-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](c2ccccn2)C1 ZINC001607027971 1351400337 /nfs/dbraw/zinc/40/03/37/1351400337.db2.gz WNJMWSOTJOLPBC-LLVKDONJSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](c2ccccn2)C1 ZINC001607027971 1351400340 /nfs/dbraw/zinc/40/03/40/1351400340.db2.gz WNJMWSOTJOLPBC-LLVKDONJSA-N -1 1 340.412 2.343 20 0 EEADMM O=CNc1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001607055854 1351405459 /nfs/dbraw/zinc/40/54/59/1351405459.db2.gz FNPXHXBYSJWQLA-UHFFFAOYSA-N -1 1 347.338 2.169 20 0 EEADMM OCC[C@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001607105307 1351420748 /nfs/dbraw/zinc/42/07/48/1351420748.db2.gz DJDREDVWOOWMIZ-SNVBAGLBSA-N -1 1 342.325 2.022 20 0 EEADMM OCC[C@H]1CCCCN1c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001607105307 1351420750 /nfs/dbraw/zinc/42/07/50/1351420750.db2.gz DJDREDVWOOWMIZ-SNVBAGLBSA-N -1 1 342.325 2.022 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@H]1CCc2cccnc21 ZINC001607135822 1351435141 /nfs/dbraw/zinc/43/51/41/1351435141.db2.gz GIPOUZIWUHAVIN-GFCCVEGCSA-N -1 1 344.382 2.347 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@H]1CCc2cccnc21 ZINC001607135822 1351435145 /nfs/dbraw/zinc/43/51/45/1351435145.db2.gz GIPOUZIWUHAVIN-GFCCVEGCSA-N -1 1 344.382 2.347 20 0 EEADMM COc1nsc(CN[C@](C)(CCF)C(=O)[O-])c1Br ZINC001607364356 1351483314 /nfs/dbraw/zinc/48/33/14/1351483314.db2.gz SUNALBWSCOWZIY-SNVBAGLBSA-N -1 1 341.202 2.207 20 0 EEADMM CSc1ccc(NC(=O)CSc2nnc(C)[nH]2)cc1C(=O)[O-] ZINC001607407964 1351489568 /nfs/dbraw/zinc/48/95/68/1351489568.db2.gz JVEDHMDWNWBACN-UHFFFAOYSA-N -1 1 338.414 2.264 20 0 EEADMM CSc1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1C(=O)[O-] ZINC001607407964 1351489569 /nfs/dbraw/zinc/48/95/69/1351489569.db2.gz JVEDHMDWNWBACN-UHFFFAOYSA-N -1 1 338.414 2.264 20 0 EEADMM Cc1cc(Br)ccc1C[N@@H+](CCC(=O)[O-])CC(=O)[O-] ZINC001607564071 1351516635 /nfs/dbraw/zinc/51/66/35/1351516635.db2.gz VCUWBXTTWKHCQS-UHFFFAOYSA-N -1 1 330.178 2.119 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cc1n[nH]c2ccccc12 ZINC001607736071 1351549207 /nfs/dbraw/zinc/54/92/07/1351549207.db2.gz STBFLUXSPDSFLY-UHFFFAOYSA-N -1 1 325.324 2.456 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC001607739781 1351549365 /nfs/dbraw/zinc/54/93/65/1351549365.db2.gz RYDPFQSHHULCFR-SGTLLEGYSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC001607739781 1351549366 /nfs/dbraw/zinc/54/93/66/1351549366.db2.gz RYDPFQSHHULCFR-SGTLLEGYSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccccc1C(F)(F)CNS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001607879078 1351577206 /nfs/dbraw/zinc/57/72/06/1351577206.db2.gz RRGLLQVXWNGXJF-UHFFFAOYSA-N -1 1 335.372 2.117 20 0 EEADMM Nc1nnc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)o1 ZINC001608280129 1351662312 /nfs/dbraw/zinc/66/23/12/1351662312.db2.gz VOVMRIORGIVVNA-JTQLQIEISA-N -1 1 336.779 2.383 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccc4c[nH]nc4c3)[nH]c21 ZINC001608364826 1351679505 /nfs/dbraw/zinc/67/95/05/1351679505.db2.gz VQLKAYCTMCBUPA-UHFFFAOYSA-N -1 1 335.323 2.319 20 0 EEADMM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001608412061 1351689296 /nfs/dbraw/zinc/68/92/96/1351689296.db2.gz ZPHPOEABJKZMEZ-IAGOWNOFSA-N -1 1 339.395 2.102 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)[nH]1 ZINC001608434622 1351694193 /nfs/dbraw/zinc/69/41/93/1351694193.db2.gz NDQPWWZXZRWESK-AWEZNQCLSA-N -1 1 341.411 2.355 20 0 EEADMM Cc1cc(C)cc(-c2cc(NC(=O)CCCc3nn[n-]n3)n[nH]2)c1 ZINC001640000343 1352703763 /nfs/dbraw/zinc/70/37/63/1352703763.db2.gz VTZVZBGWEFLIBE-UHFFFAOYSA-N -1 1 325.376 2.168 20 0 EEADMM C[C@@H]1[C@H](C)SCCN1c1nnc(-c2c[n-][nH]c2=O)n1CC1CC1 ZINC001646929103 1353052920 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COC([O-])=NC(=S)N(C(=O)c1c[nH]cc1C)c1ccccc1N ZINC001187806111 1368269234 /nfs/dbraw/zinc/26/92/34/1368269234.db2.gz AQEVIBYLCZZRRS-UHFFFAOYSA-N -1 1 332.385 2.193 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)c1c[nH]cc1C)c1ccccc1N ZINC001187806111 1368269239 /nfs/dbraw/zinc/26/92/39/1368269239.db2.gz AQEVIBYLCZZRRS-UHFFFAOYSA-N -1 1 332.385 2.193 20 0 EEADMM CCOC(=O)c1cccc(NC(=O)Nc2cc(=O)[n-]c(N(C)C)n2)c1 ZINC001188639695 1368310255 /nfs/dbraw/zinc/31/02/55/1368310255.db2.gz XGAWCAVVHKZPFE-UHFFFAOYSA-N -1 1 345.359 2.069 20 0 EEADMM CCOC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189468651 1368358058 /nfs/dbraw/zinc/35/80/58/1368358058.db2.gz NMLMFOQZPUQMLI-CYBMUJFWSA-N -1 1 349.399 2.362 20 0 EEADMM O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)c1cc([O-])cnc1Cl ZINC001195312465 1368517391 /nfs/dbraw/zinc/51/73/91/1368517391.db2.gz GYYZNXUVKBZCEM-ZFWWWQNUSA-N -1 1 345.786 2.190 20 0 EEADMM O=C(Nc1ccn(CC(F)(F)F)c(=O)c1)c1cc([O-])cnc1Cl ZINC001195314032 1368517468 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O=S(=O)([N-][C@H]1C[C@H]1c1c(F)cccc1F)c1c[nH]nc1Cl ZINC000830539603 1372333039 /nfs/dbraw/zinc/33/30/39/1372333039.db2.gz KBLBJKLZURPZMG-MUWHJKNJSA-N -1 1 333.747 2.176 20 0 EEADMM O=C([N-]CC1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1)C(F)(F)F ZINC000831125840 1372365448 /nfs/dbraw/zinc/36/54/48/1372365448.db2.gz REXREGPCRXAELW-QWHCGFSZSA-N -1 1 344.308 2.066 20 0 EEADMM O=C([N-]CC1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1)C(F)(F)F ZINC000831125839 1372365692 /nfs/dbraw/zinc/36/56/92/1372365692.db2.gz REXREGPCRXAELW-OLZOCXBDSA-N -1 1 344.308 2.066 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831139614 1372368094 /nfs/dbraw/zinc/36/80/94/1372368094.db2.gz LPMPVRHGSQDTOB-UHFFFAOYSA-N -1 1 334.725 2.399 20 0 EEADMM Cc1[nH]c(CN2CCN(CCc3ccncc3)CC2)c(C)c1C(=O)[O-] ZINC001140496204 1372587084 /nfs/dbraw/zinc/58/70/84/1372587084.db2.gz WCFCTLVYSDRCNC-UHFFFAOYSA-N -1 1 342.443 2.085 20 0 EEADMM Cc1[nH]c(CN2CC[C@H](Oc3nccc(C)n3)C2)c(C)c1C(=O)[O-] ZINC001140499102 1372588379 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C[C@@]1(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)COC(=O)N1 ZINC001363342484 1373505800 /nfs/dbraw/zinc/50/58/00/1373505800.db2.gz QMUADRVYUMCSAP-KRWDZBQOSA-N -1 1 328.324 2.305 20 0 EEADMM CCC1(C(=O)NC[C@H]2CCCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001370074479 1374786342 /nfs/dbraw/zinc/78/63/42/1374786342.db2.gz BIZPUEWFPAUMGE-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC001372576322 1376087295 /nfs/dbraw/zinc/08/72/95/1376087295.db2.gz MYWHAAJVVFYODU-KXNHARMFSA-N -1 1 335.370 2.416 20 0 EEADMM CC(C)CCC(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001375270347 1377567811 /nfs/dbraw/zinc/56/78/11/1377567811.db2.gz ZFSPZDNKKWQWGW-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)C[C@@H](CNC(=O)C[C@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001375821777 1378030037 /nfs/dbraw/zinc/03/00/37/1378030037.db2.gz ISEQSJUPHMZSJA-ZFWWWQNUSA-N -1 1 347.459 2.484 20 0 EEADMM CC1(C(=O)NC[C@@]2(C)CCCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001390379132 1388614791 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EEADMM O=C(NC[C@H](NC(=O)C1(F)CCCCC1)C1CC1)c1ncccc1[O-] ZINC001385708413 1385786840 /nfs/dbraw/zinc/78/68/40/1385786840.db2.gz XTFYSHNICFUEIK-ZDUSSCGKSA-N -1 1 349.406 2.084 20 0 EEADMM CC[C@@H](C)CCC(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001386784587 1386315966 /nfs/dbraw/zinc/31/59/66/1386315966.db2.gz TWMDMQOWIISMBI-NEPJUHHUSA-N -1 1 348.447 2.120 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](F)c1ccccc1 ZINC001387179270 1386554129 /nfs/dbraw/zinc/55/41/29/1386554129.db2.gz IUXFMNUSTZSTQE-OAHLLOKOSA-N -1 1 345.374 2.076 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001387696149 1386947270 /nfs/dbraw/zinc/94/72/70/1386947270.db2.gz OHAWKBQHKAOWDQ-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)sc1C ZINC001388055274 1387160562 /nfs/dbraw/zinc/16/05/62/1387160562.db2.gz JIDWUFCGTSLROQ-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM CCC[C@](C)(CC)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001417024287 1390912890 /nfs/dbraw/zinc/91/28/90/1390912890.db2.gz USXBHXNNIIMZBM-ACJLOTCBSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1(F)CCCCC1 ZINC001396509942 1390949950 /nfs/dbraw/zinc/94/99/50/1390949950.db2.gz ZBIIDAPCDFUPQP-ZDUSSCGKSA-N -1 1 349.406 2.133 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C(F)(F)F ZINC001398943509 1394350994 /nfs/dbraw/zinc/35/09/94/1394350994.db2.gz NHXGKWVHAFALLI-SECBINFHSA-N -1 1 347.337 2.000 20 0 EEADMM CC[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001398988115 1394426475 /nfs/dbraw/zinc/42/64/75/1394426475.db2.gz SIRXOYIJFIQLBQ-LBPRGKRZSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001399352496 1394997306 /nfs/dbraw/zinc/99/73/06/1394997306.db2.gz NTMFXCZKXXBOFB-CYBMUJFWSA-N -1 1 335.448 2.342 20 0 EEADMM CN(CCC1CCN(C(=O)CC2CCCC2)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001401308022 1397144755 /nfs/dbraw/zinc/14/47/55/1397144755.db2.gz ZPELVRRLLMWWKJ-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM CCCC[C@H](CNCc1nnc(C)s1)NC(=O)c1ncccc1[O-] ZINC001403286356 1399735507 /nfs/dbraw/zinc/73/55/07/1399735507.db2.gz YYKXZDOALAIYNP-GFCCVEGCSA-N -1 1 349.460 2.026 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2(NCc3c(C)cccc3Cl)CC2)c1[O-] ZINC001423194050 1400482188 /nfs/dbraw/zinc/48/21/88/1400482188.db2.gz CWXOBKILVLMERV-UHFFFAOYSA-N -1 1 348.834 2.438 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1=CCCCCC1 ZINC001425177093 1401483161 /nfs/dbraw/zinc/48/31/61/1401483161.db2.gz WAVMKKAOXKNZKS-CQSZACIVSA-N -1 1 335.452 2.165 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425714296 1401754816 /nfs/dbraw/zinc/75/48/16/1401754816.db2.gz SHGJNFWXHTZPQQ-ZIAGYGMSSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CN(C)C(=O)Nc1nn[nH]c1C(=O)NC1CC1)C1CCCCC1 ZINC001426386803 1402061035 /nfs/dbraw/zinc/06/10/35/1402061035.db2.gz KXPYLXIJJJWVAC-NSHDSACASA-N -1 1 348.451 2.377 20 0 EEADMM CCC[C@@H](C)CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001427499824 1402447720 /nfs/dbraw/zinc/44/77/20/1402447720.db2.gz GYWNKDHHWZUSLA-CQSZACIVSA-N -1 1 333.432 2.288 20 0 EEADMM CC1(C)C(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)C1(C)C ZINC001427899484 1402553528 /nfs/dbraw/zinc/55/35/28/1402553528.db2.gz USSJVFLGRBDRFQ-LBPRGKRZSA-N -1 1 345.443 2.094 20 0 EEADMM C[C@H]1CCCC[C@@H]1CC(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001431205042 1402999661 /nfs/dbraw/zinc/99/96/61/1402999661.db2.gz PDCYDFPLWJGUKV-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001431224101 1403003774 /nfs/dbraw/zinc/00/37/74/1403003774.db2.gz PNGRNIGJBFJAIU-MCIONIFRSA-N -1 1 333.432 2.094 20 0 EEADMM CC(C)(C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001432018912 1403183098 /nfs/dbraw/zinc/18/30/98/1403183098.db2.gz PIZXPRPNKJRWDE-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001432733640 1403283949 /nfs/dbraw/zinc/28/39/49/1403283949.db2.gz RKGABOLUNGTCIQ-UGSOOPFHSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(Nc1ccccc1N1CCOC1=O)c1cnc(C2CC2)[n-]c1=O ZINC001433661736 1403421412 /nfs/dbraw/zinc/42/14/12/1403421412.db2.gz QLXKLEUSGQLQMN-UHFFFAOYSA-N -1 1 340.339 2.269 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c(C)n1C ZINC001434128546 1403457331 /nfs/dbraw/zinc/45/73/31/1403457331.db2.gz JRCKGORHZWPUDR-AAEUAGOBSA-N -1 1 345.365 2.314 20 0 EEADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc3c(cc2N)OCO3)c1 ZINC001574871151 1403527181 /nfs/dbraw/zinc/52/71/81/1403527181.db2.gz SERZHCGCOVOWIC-UHFFFAOYSA-N -1 1 341.323 2.080 20 0 EEADMM C[C@H]1Cc2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)c2O1 ZINC001576386503 1403571185 /nfs/dbraw/zinc/57/11/85/1403571185.db2.gz UAOCYYZLLVSPJS-VIFPVBQESA-N -1 1 341.396 2.182 20 0 EEADMM CCc1ccc(O)c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001578526258 1403768092 /nfs/dbraw/zinc/76/80/92/1403768092.db2.gz IDMNXYNBSFEWRL-UHFFFAOYSA-N -1 1 329.385 2.126 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579229758 1403779857 /nfs/dbraw/zinc/77/98/57/1403779857.db2.gz CSDTUCCYOKRCEX-UHFFFAOYSA-N -1 1 329.385 2.079 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)c(F)c1 ZINC001579484206 1403783881 /nfs/dbraw/zinc/78/38/81/1403783881.db2.gz YLXZJEORQZHCCF-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)c(F)c1 ZINC001579484206 1403783888 /nfs/dbraw/zinc/78/38/88/1403783888.db2.gz YLXZJEORQZHCCF-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COc1ncc(NC(=O)c2ccc(SC)cc2)cc1-c1nn[n-]n1 ZINC001580140007 1403833386 /nfs/dbraw/zinc/83/33/86/1403833386.db2.gz QNAKWYAEUHBIFD-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1ncc(NC(=O)c2c(C)cccc2Cl)cc1-c1nn[n-]n1 ZINC001580139026 1403833603 /nfs/dbraw/zinc/83/36/03/1403833603.db2.gz XVEKFASSQJITBX-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM CCOC(=O)C1=CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590757172 1403898164 /nfs/dbraw/zinc/89/81/64/1403898164.db2.gz CBPPQLSJOVATAO-SSDOTTSWSA-N -1 1 340.796 2.040 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C)o1 ZINC001591941398 1403973454 /nfs/dbraw/zinc/97/34/54/1403973454.db2.gz VEORJIBHMOKSJU-MRVPVSSYSA-N -1 1 347.404 2.093 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C)o1 ZINC001591941398 1403973461 /nfs/dbraw/zinc/97/34/61/1403973461.db2.gz VEORJIBHMOKSJU-MRVPVSSYSA-N -1 1 347.404 2.093 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001592137410 1404005963 /nfs/dbraw/zinc/00/59/63/1404005963.db2.gz HEXOWKOWWAJCJN-IINYFYTJSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCOc2ccccc21 ZINC001592498808 1404703024 /nfs/dbraw/zinc/70/30/24/1404703024.db2.gz BLOGCKPSQRPAMG-UHFFFAOYSA-N -1 1 325.328 2.197 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCOc2ccccc21 ZINC001592498808 1404703032 /nfs/dbraw/zinc/70/30/32/1404703032.db2.gz BLOGCKPSQRPAMG-UHFFFAOYSA-N -1 1 325.328 2.197 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592661309 1404705812 /nfs/dbraw/zinc/70/58/12/1404705812.db2.gz OHALFZDURZSVMX-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc2c1SCC[C@@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592661309 1404705814 /nfs/dbraw/zinc/70/58/14/1404705814.db2.gz OHALFZDURZSVMX-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ncccc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001592663278 1404707998 /nfs/dbraw/zinc/70/79/98/1404707998.db2.gz ZJAVABYRWGYJJU-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1ncccc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001592663278 1404708006 /nfs/dbraw/zinc/70/80/06/1404708006.db2.gz ZJAVABYRWGYJJU-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(Cc1cccs1)C1CC1 ZINC001592913402 1404729763 /nfs/dbraw/zinc/72/97/63/1404729763.db2.gz FXAGQMPXYRHZQQ-UHFFFAOYSA-N -1 1 340.412 2.057 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(Cc1cccs1)C1CC1 ZINC001592913402 1404729770 /nfs/dbraw/zinc/72/97/70/1404729770.db2.gz FXAGQMPXYRHZQQ-UHFFFAOYSA-N -1 1 340.412 2.057 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593032046 1404737405 /nfs/dbraw/zinc/73/74/05/1404737405.db2.gz LLZANURNGUEVJX-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593032046 1404737423 /nfs/dbraw/zinc/73/74/23/1404737423.db2.gz LLZANURNGUEVJX-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM Cc1oc(NC(=O)COC(=O)C2(C)CCCC2)c(-c2nn[n-]n2)c1C ZINC001606174850 1404772696 /nfs/dbraw/zinc/77/26/96/1404772696.db2.gz NEFHWCZHFRPTGZ-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001606292962 1404779312 /nfs/dbraw/zinc/77/93/12/1404779312.db2.gz BZYPUZPDLXZGOW-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001606292962 1404779319 /nfs/dbraw/zinc/77/93/19/1404779319.db2.gz BZYPUZPDLXZGOW-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Cc1cc(C(=O)NCCC[C@H](C)NC(=O)c2ncccc2[O-])oc1C ZINC001756296729 1408299510 /nfs/dbraw/zinc/29/95/10/1408299510.db2.gz WZIRVDCAXWEPFC-LBPRGKRZSA-N -1 1 345.399 2.326 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@H]1CC=CCC1 ZINC001756445029 1408496670 /nfs/dbraw/zinc/49/66/70/1408496670.db2.gz DIEQSGJKCRKPAX-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM CCCN1C[C@H](C(=O)Nc2ccc(Br)c([O-])c2)CC1=O ZINC001771733198 1409934295 /nfs/dbraw/zinc/93/42/95/1409934295.db2.gz XNZQOHDMLOCFAC-SECBINFHSA-N -1 1 341.205 2.352 20 0 EEADMM C[C@@H](CCNC(=O)CC1CCCCC1)NC(=O)c1ncccc1[O-] ZINC001075516593 761928073 /nfs/dbraw/zinc/92/80/73/761928073.db2.gz PKUZPMMWCPYCFV-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCC1(O)CCCCC1 ZINC000404232643 760815284 /nfs/dbraw/zinc/81/52/84/760815284.db2.gz QIGQLEOHEAQRJR-UHFFFAOYSA-N -1 1 338.882 2.469 20 0 EEADMM C[C@H](CNc1nc(C2CC2)ns1)N(C)C(=O)c1ncccc1[O-] ZINC001104536208 761707714 /nfs/dbraw/zinc/70/77/14/761707714.db2.gz JSLIZWTYMOQVRE-SECBINFHSA-N -1 1 333.417 2.089 20 0 EEADMM Cc1nc(C)c(C)c(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536665 761714387 /nfs/dbraw/zinc/71/43/87/761714387.db2.gz SDFDTNCGMZMLQD-SNVBAGLBSA-N -1 1 329.404 2.075 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](CO)c1ccc(F)cc1 ZINC000840524787 782691005 /nfs/dbraw/zinc/69/10/05/782691005.db2.gz VUGFIVPFHMRWIY-CYBMUJFWSA-N -1 1 347.390 2.259 20 0 EEADMM CSc1ccnc(N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174827 769241946 /nfs/dbraw/zinc/24/19/46/769241946.db2.gz MNUVWZAPMQAPAC-NSHDSACASA-N -1 1 347.444 2.166 20 0 EEADMM O=C(C[C@H]1C=CCCC1)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673348 770827280 /nfs/dbraw/zinc/82/72/80/770827280.db2.gz MSERQJUNCXAKAU-KKUMJFAQSA-N -1 1 343.427 2.158 20 0 EEADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000921103384 770967280 /nfs/dbraw/zinc/96/72/80/770967280.db2.gz ZRQQQDCNEWYXFA-RISCZKNCSA-N -1 1 348.351 2.126 20 0 EEADMM CCN(C(=O)c1ccoc1C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942660094 782959804 /nfs/dbraw/zinc/95/98/04/782959804.db2.gz MRSRFJBEFHRYOG-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1nc(CN2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c(C)s1 ZINC001027844042 773416828 /nfs/dbraw/zinc/41/68/28/773416828.db2.gz MAMVDPZGIXGIKJ-CYBMUJFWSA-N -1 1 346.456 2.255 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000180001563 774429718 /nfs/dbraw/zinc/42/97/18/774429718.db2.gz QDDYPDOLZZBHNA-UHFFFAOYSA-N -1 1 342.808 2.061 20 0 EEADMM Cc1cnn(CC(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)c1 ZINC000068447013 774537968 /nfs/dbraw/zinc/53/79/68/774537968.db2.gz ZIEOWGLYRTWEIF-UHFFFAOYSA-N -1 1 348.476 2.433 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980434755 774635109 /nfs/dbraw/zinc/63/51/09/774635109.db2.gz IRLSFNONDQTRPD-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(C(=O)N2CCCCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)s1 ZINC001088252452 783218162 /nfs/dbraw/zinc/21/81/62/783218162.db2.gz RKASQUWIJZZSHX-LBPRGKRZSA-N -1 1 349.460 2.055 20 0 EEADMM O=C(CCC1CCCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088254765 783222763 /nfs/dbraw/zinc/22/27/63/783222763.db2.gz XCRXTSPWZSNKLU-HNNXBMFYSA-N -1 1 349.479 2.342 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC000938921611 774983674 /nfs/dbraw/zinc/98/36/74/774983674.db2.gz LTDDFSMVPSLHNR-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cccc(Cl)n2)CC1 ZINC000981026423 776401298 /nfs/dbraw/zinc/40/12/98/776401298.db2.gz GOPQTKJULGSFCZ-UHFFFAOYSA-N -1 1 346.818 2.184 20 0 EEADMM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2sc(N)nc2[O-])cc1 ZINC000080665463 777098212 /nfs/dbraw/zinc/09/82/12/777098212.db2.gz LTEKQJHEYOQJJA-ZDUSSCGKSA-N -1 1 333.457 2.078 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)c1Cl ZINC000028036712 777379569 /nfs/dbraw/zinc/37/95/69/777379569.db2.gz IXYJRPYZGAQDBI-GFCCVEGCSA-N -1 1 339.848 2.472 20 0 EEADMM Cc1cc(C)cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000940139021 778166095 /nfs/dbraw/zinc/16/60/95/778166095.db2.gz MTVGVBVRMUENLL-OAHLLOKOSA-N -1 1 339.395 2.049 20 0 EEADMM CSc1nc(C)c(CCC(=O)NCc2c(C)cccc2F)c(=O)[n-]1 ZINC000080740867 779048723 /nfs/dbraw/zinc/04/87/23/779048723.db2.gz UGLLGLWZCZHQKD-UHFFFAOYSA-N -1 1 349.431 2.497 20 0 EEADMM CS[C@@H]1CC[C@@H](NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000080848164 780908186 /nfs/dbraw/zinc/90/81/86/780908186.db2.gz WBIDJSLXUMOUGT-CHWSQXEVSA-N -1 1 348.472 2.385 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nncc3ccoc32)Cc2ccccc2C1 ZINC001167934968 780991588 /nfs/dbraw/zinc/99/15/88/780991588.db2.gz MPFPPCLLYUWSSL-UHFFFAOYSA-N -1 1 331.268 2.308 20 0 EEADMM CCN(C(=O)c1cocc1C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942916425 783450727 /nfs/dbraw/zinc/45/07/27/783450727.db2.gz CRYJCYLAWIEPDF-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000945561621 784321570 /nfs/dbraw/zinc/32/15/70/784321570.db2.gz JZNXTAAOGOPQCL-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1cc(F)c(Cl)cc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473833 784642775 /nfs/dbraw/zinc/64/27/75/784642775.db2.gz HBECNZLUHOZWAG-JTQLQIEISA-N -1 1 345.762 2.062 20 0 EEADMM Cc1ccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)c(Cl)c1 ZINC000907473314 784642791 /nfs/dbraw/zinc/64/27/91/784642791.db2.gz FYAPLSHRJIRRJR-LBPRGKRZSA-N -1 1 337.836 2.021 20 0 EEADMM O=C(c1cccc(C2CCC2)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479510 784686351 /nfs/dbraw/zinc/68/63/51/784686351.db2.gz KPEIIJZZOAAJBK-CQSZACIVSA-N -1 1 329.429 2.398 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480241 784686753 /nfs/dbraw/zinc/68/67/53/784686753.db2.gz NTQJANGKVDXZJZ-UKRRQHHQSA-N -1 1 345.472 2.394 20 0 EEADMM O=C(/C(F)=C/C1CCCCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479783 784687059 /nfs/dbraw/zinc/68/70/59/784687059.db2.gz MPXRTFWHUDYELX-KGTBHZDVSA-N -1 1 325.413 2.250 20 0 EEADMM C[C@]1(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC000907479610 784687776 /nfs/dbraw/zinc/68/77/76/784687776.db2.gz GILCXSIFYHVDEM-IOASZLSFSA-N -1 1 329.429 2.010 20 0 EEADMM O=C(NOCC1CC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000817358696 784737553 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CC[C@@](C)(CCCNC(=O)C(=O)c1ccc([O-])cc1)C1OCCO1 ZINC000806958426 812035138 /nfs/dbraw/zinc/03/51/38/812035138.db2.gz HVPHFDJKHSFCSO-SFHVURJKSA-N -1 1 335.400 2.261 20 0 EEADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@H](O)c1c(F)cccc1F ZINC000807199052 812133695 /nfs/dbraw/zinc/13/36/95/812133695.db2.gz QREHYUJMOKSQBR-PBHICJAKSA-N -1 1 349.333 2.482 20 0 EEADMM C[C@]12CC3CC(C(=O)N4CCN(CC(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000325337405 971206079 /nfs/dbraw/zinc/20/60/79/971206079.db2.gz XCWUHUBVFZAQPU-KOCGSPDRSA-N -1 1 334.460 2.212 20 0 EEADMM Cc1onc(CC(=O)N(C)c2ccc(C(C)C)cc2)c1-c1nnn[n-]1 ZINC000826342796 947984060 /nfs/dbraw/zinc/98/40/60/947984060.db2.gz AJUYSKPOJTUNAX-UHFFFAOYSA-N -1 1 340.387 2.492 20 0 EEADMM Cc1onc(CC(=O)N(C)c2ccc(C(C)C)cc2)c1-c1nn[n-]n1 ZINC000826342796 947984065 /nfs/dbraw/zinc/98/40/65/947984065.db2.gz AJUYSKPOJTUNAX-UHFFFAOYSA-N -1 1 340.387 2.492 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826346116 948034908 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0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC[C@H]1C ZINC000737548919 578263554 /nfs/dbraw/zinc/26/35/54/578263554.db2.gz QOLFLDBOIGKDMQ-PWSUYJOCSA-N -1 1 340.387 2.477 20 0 EEADMM O=C(COc1cccc(-c2nn[nH]n2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000737925333 578273348 /nfs/dbraw/zinc/27/33/48/578273348.db2.gz QCKUNGLQBMSOKN-UHFFFAOYSA-N -1 1 345.746 2.243 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc2c(c1)COC2 ZINC000823797876 607306134 /nfs/dbraw/zinc/30/61/34/607306134.db2.gz UIFGVDKIVZMWRT-UHFFFAOYSA-N -1 1 345.366 2.452 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc2c(c1)COC2 ZINC000823797876 607306135 /nfs/dbraw/zinc/30/61/35/607306135.db2.gz UIFGVDKIVZMWRT-UHFFFAOYSA-N -1 1 345.366 2.452 20 0 EEADMM NC(=O)[C@@H]1CCCN1Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000821345481 598110211 /nfs/dbraw/zinc/11/02/11/598110211.db2.gz YUUIPSNOHYIACF-DQPZFDDXSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1ccccc1OCCCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000822366976 607348257 /nfs/dbraw/zinc/34/82/57/607348257.db2.gz YFJPJVSRFAKZTJ-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM Cc1ccc(-c2nc(CNc3nccnc3-c3nnn[n-]3)co2)cc1 ZINC000822214032 599688668 /nfs/dbraw/zinc/68/86/68/599688668.db2.gz MICWPLHOHHUUQP-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1ccc(-c2nc(CNc3nccnc3-c3nn[n-]n3)co2)cc1 ZINC000822214032 599688669 /nfs/dbraw/zinc/68/86/69/599688669.db2.gz MICWPLHOHHUUQP-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM CSc1ccc(Cl)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000314160120 599777748 /nfs/dbraw/zinc/77/77/48/599777748.db2.gz XLRVOPSSWMMVRO-LBPRGKRZSA-N -1 1 339.804 2.211 20 0 EEADMM Cc1nsc(N2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)n1 ZINC000833023822 600847760 /nfs/dbraw/zinc/84/77/60/600847760.db2.gz JIDSWTVBIIEQIO-UHFFFAOYSA-N -1 1 336.417 2.158 20 0 EEADMM O=C([O-])/C=C1\SCC(=O)N1CCCN1CC[C@H]1c1ccccc1 ZINC000833196725 601169901 /nfs/dbraw/zinc/16/99/01/601169901.db2.gz XJEXNWKHEIQUQO-HNDQUVLASA-N -1 1 332.425 2.325 20 0 EEADMM COc1cccc(/C(C)=C\C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832524386 601291319 /nfs/dbraw/zinc/29/13/19/601291319.db2.gz WNAWSKDFEZBIGV-SZGZABIGSA-N -1 1 346.427 2.106 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000828714491 601498775 /nfs/dbraw/zinc/49/87/75/601498775.db2.gz AVBKHLJMODJELX-DXCKQFNASA-N -1 1 336.407 2.231 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000826785801 601499670 /nfs/dbraw/zinc/49/96/70/601499670.db2.gz FHBHOKRKIVMHPA-GOEBONIOSA-N -1 1 336.407 2.231 20 0 EEADMM CC(C)(CNC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000781133807 601713261 /nfs/dbraw/zinc/71/32/61/601713261.db2.gz IYTMMBAKYLNUAR-UHFFFAOYSA-N -1 1 340.177 2.166 20 0 EEADMM O=C([O-])[C@]1(NC(=O)[C@H]2CCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128219 601734683 /nfs/dbraw/zinc/73/46/83/601734683.db2.gz BHIXITBIWRDCPU-QAPCUYQASA-N -1 1 348.468 2.118 20 0 EEADMM CCc1oc(C(=O)OC)cc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000830398593 601885509 /nfs/dbraw/zinc/88/55/09/601885509.db2.gz OSCUBGWXZBYIDC-LLVKDONJSA-N -1 1 327.402 2.021 20 0 EEADMM CNC(=O)c1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826067837 607534121 /nfs/dbraw/zinc/53/41/21/607534121.db2.gz LRYSQKHWWXSZHK-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM CNC(=O)c1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826067837 607534123 /nfs/dbraw/zinc/53/41/23/607534123.db2.gz LRYSQKHWWXSZHK-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000263224588 601925373 /nfs/dbraw/zinc/92/53/73/601925373.db2.gz ZQCMTVRDUKWLNP-CQSZACIVSA-N -1 1 330.306 2.441 20 0 EEADMM Cc1noc(CCCN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n1 ZINC000833022864 602039070 /nfs/dbraw/zinc/03/90/70/602039070.db2.gz JOXDBKUMQHAFTF-ZDUSSCGKSA-N -1 1 344.415 2.220 20 0 EEADMM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000828455482 602093595 /nfs/dbraw/zinc/09/35/95/602093595.db2.gz CXSLOCREQBYYSY-KFWWJZLASA-N -1 1 348.443 2.023 20 0 EEADMM COCCCOc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826157048 607550443 /nfs/dbraw/zinc/55/04/43/607550443.db2.gz FYMDYUWBEDFHJC-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COCCCOc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826157048 607550444 /nfs/dbraw/zinc/55/04/44/607550444.db2.gz FYMDYUWBEDFHJC-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM CCCOC(=O)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825339239 607546787 /nfs/dbraw/zinc/54/67/87/607546787.db2.gz SYTYGZSIEDEZDD-UHFFFAOYSA-N -1 1 338.371 2.441 20 0 EEADMM CCCOC(=O)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825339239 607546788 /nfs/dbraw/zinc/54/67/88/607546788.db2.gz SYTYGZSIEDEZDD-UHFFFAOYSA-N -1 1 338.371 2.441 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccs1 ZINC000830581464 602371075 /nfs/dbraw/zinc/37/10/75/602371075.db2.gz OISLXVUMQDZAPL-GFCCVEGCSA-N -1 1 336.417 2.209 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826292788 607577329 /nfs/dbraw/zinc/57/73/29/607577329.db2.gz LYIQRQXOYIGAGT-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826292788 607577331 /nfs/dbraw/zinc/57/73/31/607577331.db2.gz LYIQRQXOYIGAGT-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM O=C(Cc1ccc(F)cc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826422647 607614468 /nfs/dbraw/zinc/61/44/68/607614468.db2.gz HIACRQZTDMHFRQ-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1ccc(F)cc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826422647 607614469 /nfs/dbraw/zinc/61/44/69/607614469.db2.gz HIACRQZTDMHFRQ-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000828029290 604675312 /nfs/dbraw/zinc/67/53/12/604675312.db2.gz XVKHRKXIKDLNOH-OAHLLOKOSA-N -1 1 341.289 2.451 20 0 EEADMM CCc1nc(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)sc1C ZINC000830317536 604746763 /nfs/dbraw/zinc/74/67/63/604746763.db2.gz AYAYFKHOBQPADA-VIFPVBQESA-N -1 1 325.434 2.138 20 0 EEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833634655 604752881 /nfs/dbraw/zinc/75/28/81/604752881.db2.gz JQPPWGZYOSIIIV-ZBFHGGJFSA-N -1 1 330.428 2.403 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)[nH]c21 ZINC000833717347 605059227 /nfs/dbraw/zinc/05/92/27/605059227.db2.gz ZENQVGZPRPQROL-UWVGGRQHSA-N -1 1 345.355 2.179 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000833626111 605102592 /nfs/dbraw/zinc/10/25/92/605102592.db2.gz NKTGCPKWHNPWMJ-AWEZNQCLSA-N -1 1 348.443 2.485 20 0 EEADMM CC(C)COc1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833490608 605114095 /nfs/dbraw/zinc/11/40/95/605114095.db2.gz KEXYOKKKXHVPHY-OAHLLOKOSA-N -1 1 348.443 2.342 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000833482742 605135438 /nfs/dbraw/zinc/13/54/38/605135438.db2.gz GHRDEMKWFXDQMJ-UKRRQHHQSA-N -1 1 338.404 2.470 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[C@@H]1C ZINC000833611681 605135414 /nfs/dbraw/zinc/13/54/14/605135414.db2.gz ZJZVLWBQKVYPDM-BARDWOONSA-N -1 1 325.453 2.002 20 0 EEADMM Cc1cccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CC2)c1 ZINC000833752473 605163837 /nfs/dbraw/zinc/16/38/37/605163837.db2.gz LATQYJKXGUTLQB-OAHLLOKOSA-N -1 1 330.428 2.034 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)c(C(=O)[O-])c1 ZINC000833751391 605186032 /nfs/dbraw/zinc/18/60/32/605186032.db2.gz WITVTCGSNSXWDZ-UHFFFAOYSA-N -1 1 349.364 2.265 20 0 EEADMM CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000833674219 605270980 /nfs/dbraw/zinc/27/09/80/605270980.db2.gz OOLWKODUJMIPTM-CHWSQXEVSA-N -1 1 333.432 2.006 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)O1 ZINC000833583702 605361154 /nfs/dbraw/zinc/36/11/54/605361154.db2.gz KNDOPMUYNKOFAQ-MRXNPFEDSA-N -1 1 345.395 2.434 20 0 EEADMM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nnc[nH]1 ZINC000833522294 605510429 /nfs/dbraw/zinc/51/04/29/605510429.db2.gz ISJJNCBVICBYQD-PWSUYJOCSA-N -1 1 331.376 2.017 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000822203266 606163773 /nfs/dbraw/zinc/16/37/73/606163773.db2.gz LQGYESGZZYINGG-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM CCCC1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821040927 606168063 /nfs/dbraw/zinc/16/80/63/606168063.db2.gz VNJVOYVWSWQYJG-UHFFFAOYSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821040927 606168064 /nfs/dbraw/zinc/16/80/64/606168064.db2.gz VNJVOYVWSWQYJG-UHFFFAOYSA-N -1 1 332.412 2.081 20 0 EEADMM CC(=O)CSCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000819783474 606399177 /nfs/dbraw/zinc/39/91/77/606399177.db2.gz YBRVPBRJLMNHFB-UHFFFAOYSA-N -1 1 328.401 2.183 20 0 EEADMM COc1cccc(C[C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)c1 ZINC000821864657 606400872 /nfs/dbraw/zinc/40/08/72/606400872.db2.gz ZZOYUZYNXLKMTK-AWEZNQCLSA-N -1 1 336.399 2.482 20 0 EEADMM COc1cccc(C[C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)c1 ZINC000821864657 606400873 /nfs/dbraw/zinc/40/08/73/606400873.db2.gz ZZOYUZYNXLKMTK-AWEZNQCLSA-N -1 1 336.399 2.482 20 0 EEADMM COc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1O ZINC000821716929 606450025 /nfs/dbraw/zinc/45/00/25/606450025.db2.gz HRLJVZIDQWMREB-UHFFFAOYSA-N -1 1 332.751 2.241 20 0 EEADMM COc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1O ZINC000821716929 606450027 /nfs/dbraw/zinc/45/00/27/606450027.db2.gz HRLJVZIDQWMREB-UHFFFAOYSA-N -1 1 332.751 2.241 20 0 EEADMM O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1F ZINC000823690605 606452448 /nfs/dbraw/zinc/45/24/48/606452448.db2.gz PRGDJIIGDGHBIH-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1F ZINC000823690605 606452450 /nfs/dbraw/zinc/45/24/50/606452450.db2.gz PRGDJIIGDGHBIH-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM CC(C)[C@H]1OCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820047517 606471795 /nfs/dbraw/zinc/47/17/95/606471795.db2.gz ZFTOFKKKXARNLX-MEDUHNTESA-N -1 1 339.403 2.283 20 0 EEADMM CC(C)[C@H]1OCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820047517 606471797 /nfs/dbraw/zinc/47/17/97/606471797.db2.gz ZFTOFKKKXARNLX-MEDUHNTESA-N -1 1 339.403 2.283 20 0 EEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccncc1 ZINC000820274838 606477043 /nfs/dbraw/zinc/47/70/43/606477043.db2.gz KARTXEJYIDZLDW-NSHDSACASA-N -1 1 332.371 2.421 20 0 EEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccncc1 ZINC000820274838 606477045 /nfs/dbraw/zinc/47/70/45/606477045.db2.gz KARTXEJYIDZLDW-NSHDSACASA-N -1 1 332.371 2.421 20 0 EEADMM OC[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823705977 606479864 /nfs/dbraw/zinc/47/98/64/606479864.db2.gz JQNDXFQXZGAAEB-NSHDSACASA-N -1 1 330.779 2.103 20 0 EEADMM OC[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823705977 606479866 /nfs/dbraw/zinc/47/98/66/606479866.db2.gz JQNDXFQXZGAAEB-NSHDSACASA-N -1 1 330.779 2.103 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000821573513 606500140 /nfs/dbraw/zinc/50/01/40/606500140.db2.gz STBDRMVCUKDZAY-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2o1 ZINC000821573513 606500141 /nfs/dbraw/zinc/50/01/41/606500141.db2.gz STBDRMVCUKDZAY-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000819811322 606510992 /nfs/dbraw/zinc/51/09/92/606510992.db2.gz YQUGVADJXDTKGQ-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000819811322 606510993 /nfs/dbraw/zinc/51/09/93/606510993.db2.gz YQUGVADJXDTKGQ-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823350564 606525174 /nfs/dbraw/zinc/52/51/74/606525174.db2.gz RMQCILOGGSMMNS-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823350564 606525176 /nfs/dbraw/zinc/52/51/76/606525176.db2.gz RMQCILOGGSMMNS-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000820170093 606528878 /nfs/dbraw/zinc/52/88/78/606528878.db2.gz PPOYCOUJTVRNCR-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000820170093 606528879 /nfs/dbraw/zinc/52/88/79/606528879.db2.gz PPOYCOUJTVRNCR-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOc2cc(F)ccc21 ZINC000823482876 606567422 /nfs/dbraw/zinc/56/74/22/606567422.db2.gz BFXPOXVRCJXGHW-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOc2cc(F)ccc21 ZINC000823482876 606567423 /nfs/dbraw/zinc/56/74/23/606567423.db2.gz BFXPOXVRCJXGHW-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc3sccc3c2)n1 ZINC000822620173 606735792 /nfs/dbraw/zinc/73/57/92/606735792.db2.gz KCMVDNBZFPRBFG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc3sccc3c2)n1 ZINC000822620173 606735793 /nfs/dbraw/zinc/73/57/93/606735793.db2.gz KCMVDNBZFPRBFG-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM CCCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821028433 606766458 /nfs/dbraw/zinc/76/64/58/606766458.db2.gz VSFXEORPSPYCFH-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822224880 607103465 /nfs/dbraw/zinc/10/34/65/607103465.db2.gz DOZOREJLFGYGJP-UHFFFAOYSA-N -1 1 342.384 2.233 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822224880 607103466 /nfs/dbraw/zinc/10/34/66/607103466.db2.gz DOZOREJLFGYGJP-UHFFFAOYSA-N -1 1 342.384 2.233 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823379689 607105592 /nfs/dbraw/zinc/10/55/92/607105592.db2.gz DLQKPHWXHJUYCS-RQJHMYQMSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000823379689 607105594 /nfs/dbraw/zinc/10/55/94/607105594.db2.gz DLQKPHWXHJUYCS-RQJHMYQMSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(CCc1cccc(F)c1F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822982605 607106854 /nfs/dbraw/zinc/10/68/54/607106854.db2.gz DYYWTHCBFRKHDD-UHFFFAOYSA-N -1 1 336.327 2.173 20 0 EEADMM O=C(CCc1cccc(F)c1F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822982605 607106855 /nfs/dbraw/zinc/10/68/55/607106855.db2.gz DYYWTHCBFRKHDD-UHFFFAOYSA-N -1 1 336.327 2.173 20 0 EEADMM O=C(OCc1cccc2nsnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823431857 607114350 /nfs/dbraw/zinc/11/43/50/607114350.db2.gz ZWZFFTOLIXQMDS-UHFFFAOYSA-N -1 1 344.381 2.290 20 0 EEADMM O=C(OCc1cccc2nsnc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823431857 607114352 /nfs/dbraw/zinc/11/43/52/607114352.db2.gz ZWZFFTOLIXQMDS-UHFFFAOYSA-N -1 1 344.381 2.290 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(F)c(F)c1F ZINC000823294481 607142980 /nfs/dbraw/zinc/14/29/80/607142980.db2.gz CGDCKVVHSXBHRJ-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM Cc1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307613 607865284 /nfs/dbraw/zinc/86/52/84/607865284.db2.gz PHUIHMZNEDEZFP-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM Cc1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307613 607865285 /nfs/dbraw/zinc/86/52/85/607865285.db2.gz PHUIHMZNEDEZFP-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824053352 608117117 /nfs/dbraw/zinc/11/71/17/608117117.db2.gz XMULNETULTZNPH-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824053352 608117118 /nfs/dbraw/zinc/11/71/18/608117118.db2.gz XMULNETULTZNPH-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM Cc1ncc2c(n1)CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000826330406 608181039 /nfs/dbraw/zinc/18/10/39/608181039.db2.gz SRSYIOXZCICWDY-MRVPVSSYSA-N -1 1 348.823 2.044 20 0 EEADMM Cc1ncc2c(n1)CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000826330406 608181041 /nfs/dbraw/zinc/18/10/41/608181041.db2.gz SRSYIOXZCICWDY-MRVPVSSYSA-N -1 1 348.823 2.044 20 0 EEADMM Fc1cccc([C@@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826376747 608234569 /nfs/dbraw/zinc/23/45/69/608234569.db2.gz QGGXRFTWAGVQEZ-CQSZACIVSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826376747 608234570 /nfs/dbraw/zinc/23/45/70/608234570.db2.gz QGGXRFTWAGVQEZ-CQSZACIVSA-N -1 1 348.345 2.392 20 0 EEADMM COc1cc(C)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826178391 608398493 /nfs/dbraw/zinc/39/84/93/608398493.db2.gz WEWUJWHXSVPGPE-SNVBAGLBSA-N -1 1 341.375 2.155 20 0 EEADMM COc1cc(C)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826178391 608398495 /nfs/dbraw/zinc/39/84/95/608398495.db2.gz WEWUJWHXSVPGPE-SNVBAGLBSA-N -1 1 341.375 2.155 20 0 EEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1Cl ZINC000824426265 608424366 /nfs/dbraw/zinc/42/43/66/608424366.db2.gz CJFNYTUJWPZJHL-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1Cl ZINC000824426265 608424368 /nfs/dbraw/zinc/42/43/68/608424368.db2.gz CJFNYTUJWPZJHL-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc2ccccc2s1 ZINC000826502708 608432228 /nfs/dbraw/zinc/43/22/28/608432228.db2.gz JBOYXAFLHWHEPX-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc2ccccc2s1 ZINC000826502708 608432230 /nfs/dbraw/zinc/43/22/30/608432230.db2.gz JBOYXAFLHWHEPX-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM O=C(OCc1cccc(-c2nn[nH]n2)c1F)c1ccc([O-])cc1F ZINC000826466893 608457184 /nfs/dbraw/zinc/45/71/84/608457184.db2.gz XVVVOWYYGDSROK-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM CN(Cc1ccc(Br)o1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825966209 608521615 /nfs/dbraw/zinc/52/16/15/608521615.db2.gz SUCMZVUSJGNUHM-UHFFFAOYSA-N -1 1 338.165 2.447 20 0 EEADMM CCc1ccc(O)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000825716883 608819578 /nfs/dbraw/zinc/81/95/78/608819578.db2.gz CGYJXIJCEWRPMB-UHFFFAOYSA-N -1 1 325.328 2.093 20 0 EEADMM O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826506397 608852083 /nfs/dbraw/zinc/85/20/83/608852083.db2.gz UDEINQZQAGHYTD-IINYFYTJSA-N -1 1 347.325 2.046 20 0 EEADMM OCCCc1cccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000826509920 609389124 /nfs/dbraw/zinc/38/91/24/609389124.db2.gz PVJNACYNRMGLOU-UHFFFAOYSA-N -1 1 347.382 2.478 20 0 EEADMM OCCCc1cccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000826509920 609389126 /nfs/dbraw/zinc/38/91/26/609389126.db2.gz PVJNACYNRMGLOU-UHFFFAOYSA-N -1 1 347.382 2.478 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3ccccc3)o2)n1 ZINC000826357487 609504229 /nfs/dbraw/zinc/50/42/29/609504229.db2.gz HOEQUDKMMHGWPA-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3ccccc3)o2)n1 ZINC000826357487 609504231 /nfs/dbraw/zinc/50/42/31/609504231.db2.gz HOEQUDKMMHGWPA-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM CC1(C)CC(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC(C)(C)C1 ZINC000969476447 675063652 /nfs/dbraw/zinc/06/36/52/675063652.db2.gz JTNHPXHARHRDMI-CYBMUJFWSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1ccc(F)cc1CN1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038192972 676053114 /nfs/dbraw/zinc/05/31/14/676053114.db2.gz GPRQNZNEUREMEF-OAHLLOKOSA-N -1 1 329.375 2.239 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)CNc1ccccc1Cl ZINC000073997961 675245214 /nfs/dbraw/zinc/24/52/14/675245214.db2.gz BBAYDPJLYRZKAM-UHFFFAOYSA-N -1 1 339.852 2.385 20 0 EEADMM CN(Cc1cccc2ccccc21)C(=O)Cc1sc(N)nc1[O-] ZINC000079481821 675437253 /nfs/dbraw/zinc/43/72/53/675437253.db2.gz YURYCVSKWXBGLR-AWEZNQCLSA-N -1 1 327.409 2.145 20 0 EEADMM Cc1ccc(C(=O)[N-]NC(=O)c2oc(Br)cc2C)o1 ZINC000084284800 675501605 /nfs/dbraw/zinc/50/16/05/675501605.db2.gz UKZICAAZECOZHI-UHFFFAOYSA-N -1 1 327.134 2.327 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)Cc3cc(C)ccc3F)C2)c1[O-] ZINC000971365079 676503110 /nfs/dbraw/zinc/50/31/10/676503110.db2.gz BBXAHPODZFSXMD-AWEZNQCLSA-N -1 1 346.406 2.218 20 0 EEADMM COCc1nc(NCc2ccc(N3CCCC3=O)cc2)cc(=O)[n-]1 ZINC000891602920 676713397 /nfs/dbraw/zinc/71/33/97/676713397.db2.gz RPGMBGJDOWRKFA-UHFFFAOYSA-N -1 1 328.372 2.068 20 0 EEADMM Cn1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1C(F)(F)F ZINC000891625445 676734493 /nfs/dbraw/zinc/73/44/93/676734493.db2.gz XXZUTADKMAFIEB-UHFFFAOYSA-N -1 1 341.293 2.066 20 0 EEADMM Cc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(O)c1C ZINC000052114298 678843202 /nfs/dbraw/zinc/84/32/02/678843202.db2.gz ZXWIGNZAUGCADC-UHFFFAOYSA-N -1 1 327.336 2.122 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059459486 685428793 /nfs/dbraw/zinc/42/87/93/685428793.db2.gz XMDZCLZRAWSVRZ-LBPRGKRZSA-N -1 1 335.379 2.019 20 0 EEADMM COc1ccccc1OCCN(C)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000426200103 681361755 /nfs/dbraw/zinc/36/17/55/681361755.db2.gz VHYRHHBUPCHRPP-UHFFFAOYSA-N -1 1 347.440 2.299 20 0 EEADMM CN(C(=O)C(C)(C)C1CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217580 681711484 /nfs/dbraw/zinc/71/14/84/681711484.db2.gz XBSFXURZPKOFLX-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1sccc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219479 681726714 /nfs/dbraw/zinc/72/67/14/681726714.db2.gz GHVBKIJEEDFOTN-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)C2CCCC2)C1)c1ncccc1[O-] ZINC000983433642 682645029 /nfs/dbraw/zinc/64/50/29/682645029.db2.gz LQXNQUKEWPZBGI-KBPBESRZSA-N -1 1 331.416 2.135 20 0 EEADMM CCCC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000973679512 682896160 /nfs/dbraw/zinc/89/61/60/682896160.db2.gz FLAUKQVAHGZJJH-KBPBESRZSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973680458 682898448 /nfs/dbraw/zinc/89/84/48/682898448.db2.gz DKHHYXBECGSWKX-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM COCc1nc(NCCCc2ccc3c(c2)OCCO3)cc(=O)[n-]1 ZINC000892900956 683185284 /nfs/dbraw/zinc/18/52/84/683185284.db2.gz OXUYQUIDAKTEJR-UHFFFAOYSA-N -1 1 331.372 2.145 20 0 EEADMM CCc1cc(C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)on1 ZINC000914176123 683328066 /nfs/dbraw/zinc/32/80/66/683328066.db2.gz XVAKTRDYYROZAS-UHFFFAOYSA-N -1 1 332.328 2.002 20 0 EEADMM COCC[C@H]([N-]S(=O)(=O)c1cnc(OC)s1)c1ccc(C)o1 ZINC000914337817 683513945 /nfs/dbraw/zinc/51/39/45/683513945.db2.gz NOXKXGCOVBSKPQ-JTQLQIEISA-N -1 1 346.430 2.109 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000983828618 683583766 /nfs/dbraw/zinc/58/37/66/683583766.db2.gz KWVHFDIDDVXTIF-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937482830 683779147 /nfs/dbraw/zinc/77/91/47/683779147.db2.gz NPZMBFGBZXIRSK-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM COCc1nc(NCc2ccc(C)nc2N2CCCC2)cc(=O)[n-]1 ZINC000893116946 683800800 /nfs/dbraw/zinc/80/08/00/683800800.db2.gz MODBWOYDAMDDMJ-UHFFFAOYSA-N -1 1 329.404 2.244 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909486879 684163332 /nfs/dbraw/zinc/16/33/32/684163332.db2.gz XYSXZAUYMWDGPK-SECBINFHSA-N -1 1 333.310 2.454 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)C2CCC3(CC3)CC2)C1)c1ncccc1[O-] ZINC000974057024 684270011 /nfs/dbraw/zinc/27/00/11/684270011.db2.gz VHKKPAPZCXAXCP-OKILXGFUSA-N -1 1 343.427 2.135 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cc(=O)[n-]c(COC)n2)[C@H]1Oc1ccccc1 ZINC000893256790 684321502 /nfs/dbraw/zinc/32/15/02/684321502.db2.gz XCCOKGQUMZZAAP-HBUWYVDXSA-N -1 1 345.399 2.366 20 0 EEADMM O=C(C=C1CCCCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978741038 693864124 /nfs/dbraw/zinc/86/41/24/693864124.db2.gz GROHKIMNGILPLH-GASCZTMLSA-N -1 1 343.427 2.302 20 0 EEADMM C[C@H](Cc1ccc(NC(=O)C(C)(C)CN2CCOCC2)cc1)C(=O)[O-] ZINC000909522998 684644104 /nfs/dbraw/zinc/64/41/04/684644104.db2.gz JWGASODWJCZSHA-CQSZACIVSA-N -1 1 348.443 2.247 20 0 EEADMM CS(=O)(=O)C1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CCC1 ZINC000896455854 684991948 /nfs/dbraw/zinc/99/19/48/684991948.db2.gz ZPACMMKPCNBUKA-UHFFFAOYSA-N -1 1 342.804 2.443 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000985040648 685706836 /nfs/dbraw/zinc/70/68/36/685706836.db2.gz ITOCLOXNGOQBPM-VHDGCEQUSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H](C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC001059516193 686285912 /nfs/dbraw/zinc/28/59/12/686285912.db2.gz HJDGCKBUKKUTCN-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897254643 686336420 /nfs/dbraw/zinc/33/64/20/686336420.db2.gz UOYCSAAQQNTCBY-GFCCVEGCSA-N -1 1 339.294 2.178 20 0 EEADMM O=C([N-][C@H]1CCN(C(=O)c2c(F)ccc(F)c2Cl)C1)C(F)F ZINC000937585093 686956190 /nfs/dbraw/zinc/95/61/90/686956190.db2.gz TUODYRBSTKKHGG-LURJTMIESA-N -1 1 338.688 2.214 20 0 EEADMM COC[C@@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000143530968 687124732 /nfs/dbraw/zinc/12/47/32/687124732.db2.gz FBEIOKTUONEFCC-SECBINFHSA-N -1 1 326.447 2.210 20 0 EEADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000901867341 694091517 /nfs/dbraw/zinc/09/15/17/694091517.db2.gz XQSGHVSKKWPQOM-MRXNPFEDSA-N -1 1 337.807 2.301 20 0 EEADMM CC[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)N(C)C ZINC000909639056 687282327 /nfs/dbraw/zinc/28/23/27/687282327.db2.gz BZGBNZBBAHHMSL-OAHLLOKOSA-N -1 1 330.388 2.158 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990975668 694140572 /nfs/dbraw/zinc/14/05/72/694140572.db2.gz ABTLYBSAOBWSAQ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])C=CCC1 ZINC000976571658 687850528 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CCN1CCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)[C@@H](C)C1 ZINC000904239336 694338033 /nfs/dbraw/zinc/33/80/33/694338033.db2.gz KQHLLVDADJQATL-AWEZNQCLSA-N -1 1 335.448 2.107 20 0 EEADMM C/C=C(\C)C(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000988501113 690760900 /nfs/dbraw/zinc/76/09/00/690760900.db2.gz PRGQNLGNSDNUPR-YIXHJXPBSA-N -1 1 331.416 2.064 20 0 EEADMM CN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)[C@@H]1CC1(C)C ZINC000988516353 690777843 /nfs/dbraw/zinc/77/78/43/690777843.db2.gz HVGLJCORZPULLV-AWEZNQCLSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000897733907 691773868 /nfs/dbraw/zinc/77/38/68/691773868.db2.gz BBPYHCSYZIUQPZ-IRXDYDNUSA-N -1 1 343.379 2.271 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1ccoc1Cl ZINC000977617033 692831284 /nfs/dbraw/zinc/83/12/84/692831284.db2.gz WJIOAHJCYXXWMR-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM CCn1cc(CCS(=O)(=O)c2nc(-c3ccc(C)cc3)n[n-]2)cn1 ZINC000905252211 694580314 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O=C(NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCCCCC1 ZINC001481439162 1181345138 /nfs/dbraw/zinc/34/51/38/1181345138.db2.gz GEAVJPYEQJGQMJ-CQSZACIVSA-N -1 1 349.479 2.199 20 0 EEADMM CC1(CC(=O)NC2(CNCc3n[nH]c(=O)[n-]3)CCCC2)CCCCC1 ZINC001481901521 1182920817 /nfs/dbraw/zinc/92/08/17/1182920817.db2.gz RQBNFNJKRPUHFR-UHFFFAOYSA-N -1 1 349.479 2.389 20 0 EEADMM CCN(C(=O)[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2)C(C)C ZINC001269346967 1184198348 /nfs/dbraw/zinc/19/83/48/1184198348.db2.gz NSLNHXFOICWPQX-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-] ZINC001409261907 1188231819 /nfs/dbraw/zinc/23/18/19/1188231819.db2.gz VLFDTZRUCYJUCN-OCCSQVGLSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)C(C)(C)C ZINC001076244964 1188807442 /nfs/dbraw/zinc/80/74/42/1188807442.db2.gz ICINXYAELHSNSF-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM CCCC[C@H](CN[C@H](C)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001409824565 1190657228 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CC[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001486848550 1197023984 /nfs/dbraw/zinc/02/39/84/1197023984.db2.gz BAEWZEZVZSWATI-ZIAGYGMSSA-N -1 1 335.448 2.436 20 0 EEADMM CC(C)c1ccoc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001410271062 1197652516 /nfs/dbraw/zinc/65/25/16/1197652516.db2.gz BYJCTJUOGFXYGA-LLVKDONJSA-N -1 1 331.372 2.052 20 0 EEADMM COc1ccc(CCC(=O)[N-]OCc2ncnn2CC(C)C)cc1 ZINC000871798106 1197909008 /nfs/dbraw/zinc/90/90/08/1197909008.db2.gz OUXWOBDPOQNMSK-UHFFFAOYSA-N -1 1 332.404 2.123 20 0 EEADMM C[C@H](NC(=O)Cc1sc(N)nc1[O-])c1cccc(C(F)(F)F)c1 ZINC000120805910 1198428095 /nfs/dbraw/zinc/42/80/95/1198428095.db2.gz QQZNPMVYVRAECL-XVKPBYJWSA-N -1 1 345.346 2.229 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)oc1C ZINC001011658368 1224488207 /nfs/dbraw/zinc/48/82/07/1224488207.db2.gz CWGPGMCJOYZFAI-DGCLKSJQSA-N -1 1 343.383 2.030 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)co1 ZINC001014891139 1224500905 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EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)C1(F)CCCC1 ZINC001014898647 1224513547 /nfs/dbraw/zinc/51/35/47/1224513547.db2.gz RYVDDMQPWPXZGC-STQMWFEESA-N -1 1 349.406 2.179 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3c(C(F)F)nc4n3CCCC4)ccnc1-2 ZINC000875632282 1199325952 /nfs/dbraw/zinc/32/59/52/1199325952.db2.gz BXGOEBYHHFOFEO-UHFFFAOYSA-N -1 1 346.341 2.065 20 0 EEADMM CCC(NCCC(C)C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814364133 1199445293 /nfs/dbraw/zinc/44/52/93/1199445293.db2.gz VHORXFSCBVNORA-SEYXRHQNSA-N -1 1 325.478 2.186 20 0 EEADMM O=C([N-]C[C@@H]1CCCN(C(=O)[C@H]2CCC(F)(F)C2)C1)C(F)(F)F ZINC000810903983 1199818630 /nfs/dbraw/zinc/81/86/30/1199818630.db2.gz SILJNRLTUUVIKT-UWVGGRQHSA-N -1 1 342.308 2.339 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869401442 1200063836 /nfs/dbraw/zinc/06/38/36/1200063836.db2.gz RRFZFNHCDOCRAV-JTQLQIEISA-N -1 1 337.338 2.384 20 0 EEADMM COc1cncc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1 ZINC000869754420 1200257161 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EEADMM C[C@H]1CN(C(=O)CC2CCCC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000959349984 1214530054 /nfs/dbraw/zinc/53/00/54/1214530054.db2.gz RTQROURBLOHTJP-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@]1(NC(=O)c2ccc(F)s2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000957165746 1214904530 /nfs/dbraw/zinc/90/45/30/1214904530.db2.gz YEENHGHETWSEIX-INIZCTEOSA-N -1 1 349.387 2.022 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)N1CC[C@](C)(NC(=O)c2cnn[nH]2)C1 ZINC000957186874 1214926304 /nfs/dbraw/zinc/92/63/04/1214926304.db2.gz XGNIURBBVCGECR-ACJLOTCBSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@]1(NC(=O)c2occc2Cl)CCN(C(=O)c2ncccc2[O-])C1 ZINC000957508851 1215175342 /nfs/dbraw/zinc/17/53/42/1215175342.db2.gz AGNCYCJEZKWLJK-INIZCTEOSA-N -1 1 349.774 2.068 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC000957643772 1215290950 /nfs/dbraw/zinc/29/09/50/1215290950.db2.gz PCGXTBKEMUWTHX-PJIJBLCYSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1csc(CN(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC000960578289 1216700594 /nfs/dbraw/zinc/70/05/94/1216700594.db2.gz WODZWGDWAHWJFA-ZDUSSCGKSA-N -1 1 346.456 2.289 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962941983 1217299356 /nfs/dbraw/zinc/29/93/56/1217299356.db2.gz HDRKCFLXBHOGOB-KBXIAJHMSA-N -1 1 343.427 2.039 20 0 EEADMM O=C(CCC1CC1)N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000963731634 1218002327 /nfs/dbraw/zinc/00/23/27/1218002327.db2.gz YIJIZCIIWRSMRT-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000966365952 1219705481 /nfs/dbraw/zinc/70/54/81/1219705481.db2.gz PSQWLAJGMNYZMP-QJIMOZNHSA-N -1 1 331.416 2.064 20 0 EEADMM CC(C)C(C)(C)C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000966461770 1219769557 /nfs/dbraw/zinc/76/95/57/1219769557.db2.gz LKGDASZGAKTERO-STQMWFEESA-N -1 1 333.432 2.046 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]([C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001013914365 1225998812 /nfs/dbraw/zinc/99/88/12/1225998812.db2.gz XEVGYLMHAAJBJF-CABCVRRESA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C23CCC(CC2)C3)C1 ZINC000967906424 1220908458 /nfs/dbraw/zinc/90/84/58/1220908458.db2.gz GRSCYOWDDBBWSW-UHFFFAOYSA-N -1 1 343.427 2.040 20 0 EEADMM CC[C@@H](F)CN1CCCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000968806679 1221585619 /nfs/dbraw/zinc/58/56/19/1221585619.db2.gz MPTPJOLWKQPQEW-CHWSQXEVSA-N -1 1 326.416 2.146 20 0 EEADMM Cc1conc1CN1CCCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000968829015 1221605495 /nfs/dbraw/zinc/60/54/95/1221605495.db2.gz YXZBDUHKMNXIJO-CQSZACIVSA-N -1 1 344.415 2.258 20 0 EEADMM CCCCC(=O)N(C)CCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001066845183 1222051123 /nfs/dbraw/zinc/05/11/23/1222051123.db2.gz GZWXJMAETLYRFV-UHFFFAOYSA-N -1 1 348.447 2.170 20 0 EEADMM CC1(C)CN(C(=O)CC2CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001008071973 1222604728 /nfs/dbraw/zinc/60/47/28/1222604728.db2.gz UGOPJYUPYIAVIQ-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)CN(C(=O)c2ccccc2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001008072514 1222605223 /nfs/dbraw/zinc/60/52/23/1222605223.db2.gz VRNQDGLFXZRBIC-OAHLLOKOSA-N -1 1 339.395 2.068 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC001010126315 1223564336 /nfs/dbraw/zinc/56/43/36/1223564336.db2.gz PJUUCGACACHNRV-KBPBESRZSA-N -1 1 339.395 2.068 20 0 EEADMM O=C(N[C@H]1CCN(Cc2c(F)cccc2F)C1)c1ncccc1[O-] ZINC001010727264 1223873122 /nfs/dbraw/zinc/87/31/22/1223873122.db2.gz PRBWFHRVEDEIJE-NSHDSACASA-N -1 1 333.338 2.070 20 0 EEADMM O=C(N[C@H]1CCN(CCc2c(F)cccc2F)C1)c1ncccc1[O-] ZINC001010734522 1223878503 /nfs/dbraw/zinc/87/85/03/1223878503.db2.gz UXGAYFDJEAEIJQ-LBPRGKRZSA-N -1 1 347.365 2.112 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC001011037853 1224022650 /nfs/dbraw/zinc/02/26/50/1224022650.db2.gz PVVONIDYQOIGBD-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM C[C@H](c1ccccc1F)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038182940 1229679793 /nfs/dbraw/zinc/67/97/93/1229679793.db2.gz DIRKUTQZDMLBCY-CHWSQXEVSA-N -1 1 329.375 2.492 20 0 EEADMM CC(C)(C)c1cc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])no1 ZINC001038193871 1229684184 /nfs/dbraw/zinc/68/41/84/1229684184.db2.gz MPQSXMVXXQRZTP-ZDUSSCGKSA-N -1 1 344.415 2.077 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CCc2ccc(F)c(F)c2)C1 ZINC001042645943 1232128374 /nfs/dbraw/zinc/12/83/74/1232128374.db2.gz IFWAAYAZXNTEKH-UHFFFAOYSA-N -1 1 347.365 2.064 20 0 EEADMM CCn1cc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)c(C)n1 ZINC000900046462 1233989336 /nfs/dbraw/zinc/98/93/36/1233989336.db2.gz LHAICIAMOFZXDX-AWEZNQCLSA-N -1 1 331.372 2.246 20 0 EEADMM COc1ccc(NC(=O)c2cc(C)cc(C)n2)cc1[N-]S(C)(=O)=O ZINC000801082928 1235051059 /nfs/dbraw/zinc/05/10/59/1235051059.db2.gz LZLGEMCNGGQABH-UHFFFAOYSA-N -1 1 349.412 2.331 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901033001 1235142135 /nfs/dbraw/zinc/14/21/35/1235142135.db2.gz GXMBFENOPWRFAM-NHYWBVRUSA-N -1 1 327.384 2.302 20 0 EEADMM COC(=O)CC1(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000801326497 1235426003 /nfs/dbraw/zinc/42/60/03/1235426003.db2.gz UVXMHHXVSFNXOY-UHFFFAOYSA-N -1 1 348.330 2.217 20 0 EEADMM CC[C@H](C)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801371273 1235465960 /nfs/dbraw/zinc/46/59/60/1235465960.db2.gz YLTMQTHPYLLSIA-STQMWFEESA-N -1 1 345.399 2.346 20 0 EEADMM CCc1nnc(COC(=O)c2nn(-c3ccc(C)cc3)cc2[O-])o1 ZINC000801370669 1235466976 /nfs/dbraw/zinc/46/69/76/1235466976.db2.gz AKCSYVLMMOEESA-UHFFFAOYSA-N -1 1 328.328 2.189 20 0 EEADMM CCCCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(C)cc2)cc1[O-] ZINC000801371615 1235468168 /nfs/dbraw/zinc/46/81/68/1235468168.db2.gz LYCRKHCZCQDFRR-ZDUSSCGKSA-N -1 1 345.399 2.348 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OC[C@@H]3COC(=O)O3)n2)c1 ZINC000801409595 1235535059 /nfs/dbraw/zinc/53/50/59/1235535059.db2.gz ABVUIPNQHIFWCE-CYBMUJFWSA-N -1 1 346.339 2.394 20 0 EEADMM CCc1nc(COC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])n[nH]1 ZINC000801415805 1235546207 /nfs/dbraw/zinc/54/62/07/1235546207.db2.gz DCYZMBCLVIKAOY-UHFFFAOYSA-N -1 1 345.334 2.063 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCCn2ccnc2)n1 ZINC000801417547 1235549433 /nfs/dbraw/zinc/54/94/33/1235549433.db2.gz CCKGVWNFENXEOR-UHFFFAOYSA-N -1 1 326.356 2.194 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)ccnc1-2 ZINC000801701557 1236051445 /nfs/dbraw/zinc/05/14/45/1236051445.db2.gz ABNNXHLKXXSWQQ-UHFFFAOYSA-N -1 1 348.410 2.426 20 0 EEADMM Cn1cc(Oc2ccccc2C(=O)N=c2ccnc3n(C)[n-]cc2-3)cn1 ZINC000801701035 1236051806 /nfs/dbraw/zinc/05/18/06/1236051806.db2.gz XFATWNQISKQATJ-UHFFFAOYSA-N -1 1 348.366 2.120 20 0 EEADMM C[C@H](CN(C)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)c1nn[n-]n1 ZINC000801950284 1236518684 /nfs/dbraw/zinc/51/86/84/1236518684.db2.gz UBLFQQHJSSGGOF-KCJUWKMLSA-N -1 1 345.300 2.491 20 0 EEADMM COCCCn1nccc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000901989876 1236790372 /nfs/dbraw/zinc/79/03/72/1236790372.db2.gz MCFJOUMDQIROLA-KRWDZBQOSA-N -1 1 329.400 2.104 20 0 EEADMM CC(C)(C)c1nccc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001056612485 1239449069 /nfs/dbraw/zinc/44/90/69/1239449069.db2.gz LONKLLIYIYHJKJ-GFCCVEGCSA-N -1 1 341.415 2.201 20 0 EEADMM CC(C)(C)C1CC(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)C1 ZINC001001543924 1242457662 /nfs/dbraw/zinc/45/76/62/1242457662.db2.gz KNXRZKSCXVXKQR-UHFFFAOYSA-N -1 1 345.443 2.048 20 0 EEADMM C[C@@H]1C[C@H](C)N(Cc2ccc(S(C)(=O)=O)cc2)[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952488 1242680168 /nfs/dbraw/zinc/68/01/68/1242680168.db2.gz ZEJXNEJNEAOQMW-OQMKEHIESA-N -1 1 339.457 2.410 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)[C@@H]2CC2(C)C)cc1 ZINC001050265552 1243214258 /nfs/dbraw/zinc/21/42/58/1243214258.db2.gz ZSPHXYKONNGUCT-RISCZKNCSA-N -1 1 343.431 2.023 20 0 EEADMM Cc1nc(C)c(C)c(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057623823 1244471015 /nfs/dbraw/zinc/47/10/15/1244471015.db2.gz PXWRJJZFFOAAIL-CQSZACIVSA-N -1 1 341.415 2.219 20 0 EEADMM Cc1cccc2nc(N[C@@H](C)CNC(=O)c3ncccc3[O-])oc21 ZINC001097765752 1244584380 /nfs/dbraw/zinc/58/43/80/1244584380.db2.gz XHJGDVWGYIZCNC-NSHDSACASA-N -1 1 326.356 2.467 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001053049120 1245767327 /nfs/dbraw/zinc/76/73/27/1245767327.db2.gz AXARSAPNUXCNAH-UONOGXRCSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)C1(C)CCCC1 ZINC001052420689 1247241179 /nfs/dbraw/zinc/24/11/79/1247241179.db2.gz GWUWWKAPAGSZJM-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052420935 1247241944 /nfs/dbraw/zinc/24/19/44/1247241944.db2.gz HXDNENIAJJDFAF-CHWSQXEVSA-N -1 1 333.432 2.048 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCCC1CC1 ZINC001052421876 1247244428 /nfs/dbraw/zinc/24/44/28/1247244428.db2.gz OCXPEHYBHCUJBZ-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)CC(C)(C)C ZINC001052422486 1247245252 /nfs/dbraw/zinc/24/52/52/1247245252.db2.gz RLOIRKMUGWKKKV-OLZOCXBDSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ncccc1[O-] 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/nfs/dbraw/zinc/23/02/71/1352230271.db2.gz JMMRRAXZEUHDRE-JTQLQIEISA-N -1 1 345.226 2.390 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ncccc1[O-] ZINC001428374955 1339486055 /nfs/dbraw/zinc/48/60/55/1339486055.db2.gz YFFUJTVJDMITCO-GZBFAFLISA-N -1 1 345.443 2.094 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)c2ccccc21 ZINC001610745589 1352267534 /nfs/dbraw/zinc/26/75/34/1352267534.db2.gz JTTIGGWKLLAOSY-CQSZACIVSA-N -1 1 334.335 2.300 20 0 EEADMM CSc1nc(CNC(=O)C[C@H](C)c2c(C)n[nH]c2C)cc(=O)[n-]1 ZINC001434121423 1341769206 /nfs/dbraw/zinc/76/92/06/1341769206.db2.gz JKMQAQKTJRUABB-QMMMGPOBSA-N -1 1 335.433 2.054 20 0 EEADMM O=C([C@H](Cc1ccccc1)C1CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001553575109 1342350339 /nfs/dbraw/zinc/35/03/39/1342350339.db2.gz OFWNWKDEIWYNEX-HZPDHXFCSA-N -1 1 325.416 2.175 20 0 EEADMM O=C(NC1CC1)c1c[nH]nc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001558775034 1342487992 /nfs/dbraw/zinc/48/79/92/1342487992.db2.gz CCHFQOYGMPVYNF-UHFFFAOYSA-N -1 1 336.351 2.413 20 0 EEADMM Cc1cc(OCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)no1 ZINC001558968838 1342493924 /nfs/dbraw/zinc/49/39/24/1342493924.db2.gz GZIVFTOFOMJSAU-UHFFFAOYSA-N -1 1 349.734 2.145 20 0 EEADMM Cc1cc(OCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)no1 ZINC001558968838 1342493929 /nfs/dbraw/zinc/49/39/29/1342493929.db2.gz GZIVFTOFOMJSAU-UHFFFAOYSA-N -1 1 349.734 2.145 20 0 EEADMM CC(C)OCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001574318691 1343673031 /nfs/dbraw/zinc/67/30/31/1343673031.db2.gz RKHLDDIUQRPUON-UHFFFAOYSA-N -1 1 345.281 2.129 20 0 EEADMM CC1(C)CC[C@H](CC(=O)NCc2ccc(-c3nn[n-]n3)s2)OC1 ZINC001575666378 1343850729 /nfs/dbraw/zinc/85/07/29/1343850729.db2.gz XYOOXHMBZVFRIJ-SNVBAGLBSA-N -1 1 335.433 2.140 20 0 EEADMM CC[C@H]1[C@@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577126628 1344092550 /nfs/dbraw/zinc/09/25/50/1344092550.db2.gz OQUKFDHMDOJUMP-GWCFXTLKSA-N -1 1 342.407 2.033 20 0 EEADMM CC[C@H]1[C@@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577126628 1344092553 /nfs/dbraw/zinc/09/25/53/1344092553.db2.gz OQUKFDHMDOJUMP-GWCFXTLKSA-N -1 1 342.407 2.033 20 0 EEADMM CN(C(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578881820 1344313867 /nfs/dbraw/zinc/31/38/67/1344313867.db2.gz NROHMWSZDOZQTL-UHFFFAOYSA-N -1 1 328.763 2.121 20 0 EEADMM CN(C(=O)Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578881820 1344313873 /nfs/dbraw/zinc/31/38/73/1344313873.db2.gz NROHMWSZDOZQTL-UHFFFAOYSA-N -1 1 328.763 2.121 20 0 EEADMM CN(C(=O)c1cc(F)c2ncccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578911741 1344318165 /nfs/dbraw/zinc/31/81/65/1344318165.db2.gz IZHURKDIYGRAKW-UHFFFAOYSA-N -1 1 349.329 2.226 20 0 EEADMM CN1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001579374502 1344376056 /nfs/dbraw/zinc/37/60/56/1344376056.db2.gz ADQFYAIHFNVIQC-UHFFFAOYSA-N -1 1 326.385 2.025 20 0 EEADMM COC(=O)c1cc(F)ccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579479744 1344387466 /nfs/dbraw/zinc/38/74/66/1344387466.db2.gz QHNPQZYFHBIMPN-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(C)c(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001579481770 1344388488 /nfs/dbraw/zinc/38/84/88/1344388488.db2.gz YUMHVZCTLLLVFA-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(C)c(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001579481770 1344388491 /nfs/dbraw/zinc/38/84/91/1344388491.db2.gz YUMHVZCTLLLVFA-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COc1c(C)ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C ZINC001579874933 1344423989 /nfs/dbraw/zinc/42/39/89/1344423989.db2.gz NYMHMUFJUWUSCB-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1c(C)ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C ZINC001579874933 1344423991 /nfs/dbraw/zinc/42/39/91/1344423991.db2.gz NYMHMUFJUWUSCB-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1ccccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001580078500 1344467446 /nfs/dbraw/zinc/46/74/46/1344467446.db2.gz ASUCUYRLORUDQI-UHFFFAOYSA-N -1 1 341.375 2.079 20 0 EEADMM COc1ccccc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001580078500 1344467450 /nfs/dbraw/zinc/46/74/50/1344467450.db2.gz ASUCUYRLORUDQI-UHFFFAOYSA-N -1 1 341.375 2.079 20 0 EEADMM COc1ncc(NC(=O)NC2(C)CCCCC2)cc1-c1nn[n-]n1 ZINC001580135996 1344479005 /nfs/dbraw/zinc/47/90/05/1344479005.db2.gz IJILSOSRXYSPHB-UHFFFAOYSA-N -1 1 331.380 2.115 20 0 EEADMM Cc1ccoc1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001581305075 1344615603 /nfs/dbraw/zinc/61/56/03/1344615603.db2.gz AJONWDMXQGNUCS-UHFFFAOYSA-N -1 1 339.768 2.200 20 0 EEADMM Cc1csc([C@@H](C)C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581385339 1344622303 /nfs/dbraw/zinc/62/23/03/1344622303.db2.gz OQYQESUAYNBPQD-QMMMGPOBSA-N -1 1 334.430 2.113 20 0 EEADMM Cc1csc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001581385278 1344622507 /nfs/dbraw/zinc/62/25/07/1344622507.db2.gz MVFSTEBAKLMOAC-SSDOTTSWSA-N -1 1 349.807 2.171 20 0 EEADMM Cc1nc([C@H]2CCCN2C(=O)c2csc(-c3nn[n-]n3)c2)[nH]c1C ZINC001581446076 1344626736 /nfs/dbraw/zinc/62/67/36/1344626736.db2.gz OOOMFEXFPLPUDQ-LLVKDONJSA-N -1 1 343.416 2.245 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCc2c1cccc2Cl ZINC001582137825 1344705865 /nfs/dbraw/zinc/70/58/65/1344705865.db2.gz NIDHHHMHDFEFCN-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCc2c1cccc2Cl ZINC001582137825 1344705867 /nfs/dbraw/zinc/70/58/67/1344705867.db2.gz NIDHHHMHDFEFCN-UHFFFAOYSA-N -1 1 340.774 2.047 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001582263428 1344720827 /nfs/dbraw/zinc/72/08/27/1344720827.db2.gz VZWPPBGAYJXNJZ-IUODEOHRSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)Nc1cncc(F)c1 ZINC001582545062 1344760006 /nfs/dbraw/zinc/76/00/06/1344760006.db2.gz ZBQSBYPVTRCNHF-UHFFFAOYSA-N -1 1 349.276 2.001 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)Nc1cncc(F)c1 ZINC001582545062 1344760011 /nfs/dbraw/zinc/76/00/11/1344760011.db2.gz ZBQSBYPVTRCNHF-UHFFFAOYSA-N -1 1 349.276 2.001 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1Cc2ccc(F)cc21 ZINC001582549405 1344761066 /nfs/dbraw/zinc/76/10/66/1344761066.db2.gz YYHSEWIOSCIJCZ-GFCCVEGCSA-N -1 1 329.360 2.023 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCSc1ccc(F)cc1F ZINC001582806534 1344794658 /nfs/dbraw/zinc/79/46/58/1344794658.db2.gz PNDDNYNTVNXFPG-UHFFFAOYSA-N -1 1 335.339 2.099 20 0 EEADMM c1ccc([C@H](Nc2cncc(-c3nnn[n-]3)n2)c2cccnc2)cc1 ZINC001582818354 1344797796 /nfs/dbraw/zinc/79/77/96/1344797796.db2.gz DWPJCQLZDORWOO-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2cncc(-c3nn[n-]n3)n2)c2cccnc2)cc1 ZINC001582818354 1344797799 /nfs/dbraw/zinc/79/77/99/1344797799.db2.gz DWPJCQLZDORWOO-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM Brc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001588320420 1348883861 /nfs/dbraw/zinc/88/38/61/1348883861.db2.gz ONOMWEWWZPANQC-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM Brc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001588320420 1348883866 /nfs/dbraw/zinc/88/38/66/1348883866.db2.gz ONOMWEWWZPANQC-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001588883657 1348941493 /nfs/dbraw/zinc/94/14/93/1348941493.db2.gz AKVQILOTIVNUKD-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(C(=O)NCCNc1snc(C)c1-c1nn[n-]n1)=C1CCCC1 ZINC001588992502 1348951433 /nfs/dbraw/zinc/95/14/33/1348951433.db2.gz UDQDFUKNONKCSK-UHFFFAOYSA-N -1 1 347.448 2.050 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589095525 1348958376 /nfs/dbraw/zinc/95/83/76/1348958376.db2.gz LQRONEJZJIUCNU-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589095525 1348958378 /nfs/dbraw/zinc/95/83/78/1348958378.db2.gz LQRONEJZJIUCNU-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)C1CN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001589105351 1348961354 /nfs/dbraw/zinc/96/13/54/1348961354.db2.gz USBNRCGCLSGTOS-UHFFFAOYSA-N -1 1 341.828 2.486 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cccnc2-c2nnn[n-]2)C1 ZINC001589148390 1348965704 /nfs/dbraw/zinc/96/57/04/1348965704.db2.gz GXKISLOYCRVLLI-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cccnc2-c2nn[n-]n2)C1 ZINC001589148390 1348965709 /nfs/dbraw/zinc/96/57/09/1348965709.db2.gz GXKISLOYCRVLLI-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(Cc1ccccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001589308052 1348981687 /nfs/dbraw/zinc/98/16/87/1348981687.db2.gz UPVHCPSEDMOICH-UHFFFAOYSA-N -1 1 329.795 2.165 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001589372591 1348988406 /nfs/dbraw/zinc/98/84/06/1348988406.db2.gz UEXFTFIVAKROHY-JSGCOSHPSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001589372591 1348988407 /nfs/dbraw/zinc/98/84/07/1348988407.db2.gz UEXFTFIVAKROHY-JSGCOSHPSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)C[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589562826 1349004635 /nfs/dbraw/zinc/00/46/35/1349004635.db2.gz OBPCLFFNZNVVQS-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)C[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589562826 1349004640 /nfs/dbraw/zinc/00/46/40/1349004640.db2.gz OBPCLFFNZNVVQS-SECBINFHSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589562827 1349005639 /nfs/dbraw/zinc/00/56/39/1349005639.db2.gz OBPCLFFNZNVVQS-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)C[C@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589562827 1349005646 /nfs/dbraw/zinc/00/56/46/1349005646.db2.gz OBPCLFFNZNVVQS-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)CCCCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589593156 1349008192 /nfs/dbraw/zinc/00/81/92/1349008192.db2.gz KOZGUYJAVMZQGE-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)CCO[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001589607828 1349009495 /nfs/dbraw/zinc/00/94/95/1349009495.db2.gz WRBSXNNESUNDIW-CYBMUJFWSA-N -1 1 343.435 2.176 20 0 EEADMM CC(C)CCO[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001589607828 1349009499 /nfs/dbraw/zinc/00/94/99/1349009499.db2.gz WRBSXNNESUNDIW-CYBMUJFWSA-N -1 1 343.435 2.176 20 0 EEADMM CC(C)CN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC(C)C ZINC001589613695 1349010481 /nfs/dbraw/zinc/01/04/81/1349010481.db2.gz DLVWICBXQIHTEM-UHFFFAOYSA-N -1 1 344.423 2.466 20 0 EEADMM CC(C)CN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC(C)C ZINC001589613695 1349010486 /nfs/dbraw/zinc/01/04/86/1349010486.db2.gz DLVWICBXQIHTEM-UHFFFAOYSA-N -1 1 344.423 2.466 20 0 EEADMM CC(C)O[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC001589737068 1349025793 /nfs/dbraw/zinc/02/57/93/1349025793.db2.gz HCDCGUDOWIFXDU-STQMWFEESA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)O[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC001589737068 1349025798 /nfs/dbraw/zinc/02/57/98/1349025798.db2.gz HCDCGUDOWIFXDU-STQMWFEESA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)c1occc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589781190 1349038947 /nfs/dbraw/zinc/03/89/47/1349038947.db2.gz LPNYRURMCJNROF-UHFFFAOYSA-N -1 1 327.348 2.436 20 0 EEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589801792 1349046836 /nfs/dbraw/zinc/04/68/36/1349046836.db2.gz ADIZIYLHIUFDKI-RNFRBKRXSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@H](C[C@@H](O)c1ccco1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589801792 1349046841 /nfs/dbraw/zinc/04/68/41/1349046841.db2.gz ADIZIYLHIUFDKI-RNFRBKRXSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1nc(C(C)(C)C)no1 ZINC001589949818 1349075726 /nfs/dbraw/zinc/07/57/26/1349075726.db2.gz QNBFYUFXUJNGDS-SSDOTTSWSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1nc(C(C)(C)C)no1 ZINC001589949818 1349075734 /nfs/dbraw/zinc/07/57/34/1349075734.db2.gz QNBFYUFXUJNGDS-SSDOTTSWSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@@H](O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC001590003771 1349102617 /nfs/dbraw/zinc/10/26/17/1349102617.db2.gz PVJOFHBNWFFJOL-SSDOTTSWSA-N -1 1 333.348 2.373 20 0 EEADMM C[C@@H](O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001590003771 1349102620 /nfs/dbraw/zinc/10/26/20/1349102620.db2.gz PVJOFHBNWFFJOL-SSDOTTSWSA-N -1 1 333.348 2.373 20 0 EEADMM CC1(C)CC(=O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001590079955 1349142451 /nfs/dbraw/zinc/14/24/51/1349142451.db2.gz HBHJFMLNILWDJG-UHFFFAOYSA-N -1 1 326.813 2.172 20 0 EEADMM CC1(C)CC(=O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590079955 1349142455 /nfs/dbraw/zinc/14/24/55/1349142455.db2.gz HBHJFMLNILWDJG-UHFFFAOYSA-N -1 1 326.813 2.172 20 0 EEADMM CC1(C)CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590095961 1349153352 /nfs/dbraw/zinc/15/33/52/1349153352.db2.gz DRJXEJZFQJLUTD-UHFFFAOYSA-N -1 1 327.801 2.240 20 0 EEADMM C[C@@H]1CC(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590186234 1349187565 /nfs/dbraw/zinc/18/75/65/1349187565.db2.gz AZSJXVYLZFGPRT-IUCAKERBSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590226222 1349210168 /nfs/dbraw/zinc/21/01/68/1349210168.db2.gz MQDAWQBAPDBGLE-RYUDHWBXSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590226222 1349210170 /nfs/dbraw/zinc/21/01/70/1349210170.db2.gz MQDAWQBAPDBGLE-RYUDHWBXSA-N -1 1 344.419 2.208 20 0 EEADMM C/C=C(/C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001590345039 1349276466 /nfs/dbraw/zinc/27/64/66/1349276466.db2.gz HGAFLANPRCZXQV-WTKPLQERSA-N -1 1 347.448 2.049 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590355648 1349282322 /nfs/dbraw/zinc/28/23/22/1349282322.db2.gz TYEOQVUYAGUCON-VUDBWIFFSA-N -1 1 347.448 2.211 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590355648 1349282328 /nfs/dbraw/zinc/28/23/28/1349282328.db2.gz TYEOQVUYAGUCON-VUDBWIFFSA-N -1 1 347.448 2.211 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001590415383 1349314240 /nfs/dbraw/zinc/31/42/40/1349314240.db2.gz HDDOHUZSFTXQKL-VIFPVBQESA-N -1 1 328.332 2.284 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590415383 1349314246 /nfs/dbraw/zinc/31/42/46/1349314246.db2.gz HDDOHUZSFTXQKL-VIFPVBQESA-N -1 1 328.332 2.284 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590421137 1349317860 /nfs/dbraw/zinc/31/78/60/1349317860.db2.gz GAZBTYPFMPEEDB-SSDOTTSWSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590421137 1349317869 /nfs/dbraw/zinc/31/78/69/1349317869.db2.gz GAZBTYPFMPEEDB-SSDOTTSWSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590451116 1349331669 /nfs/dbraw/zinc/33/16/69/1349331669.db2.gz CUCXOOUBYVGEHJ-NSHDSACASA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1 ZINC001590460556 1349337891 /nfs/dbraw/zinc/33/78/91/1349337891.db2.gz ZQYGGHKGHNLRJD-LLVKDONJSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccccc1 ZINC001590460556 1349337900 /nfs/dbraw/zinc/33/79/00/1349337900.db2.gz ZQYGGHKGHNLRJD-LLVKDONJSA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cc(F)ccc1OC ZINC001590472918 1349346572 /nfs/dbraw/zinc/34/65/72/1349346572.db2.gz XAJUWZYAPQFFRH-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cc(F)ccc1OC ZINC001590472918 1349346579 /nfs/dbraw/zinc/34/65/79/1349346579.db2.gz XAJUWZYAPQFFRH-LLVKDONJSA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001590483860 1349350408 /nfs/dbraw/zinc/35/04/08/1349350408.db2.gz SMAKJOSRSGBJKG-LBPRGKRZSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590482438 1349351867 /nfs/dbraw/zinc/35/18/67/1349351867.db2.gz KNTVPHZITOCYDJ-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590482438 1349351872 /nfs/dbraw/zinc/35/18/72/1349351872.db2.gz KNTVPHZITOCYDJ-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590504116 1349358154 /nfs/dbraw/zinc/35/81/54/1349358154.db2.gz BFUNVCGFUYIJLE-MWLCHTKSSA-N -1 1 331.380 2.065 20 0 EEADMM CCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001590624303 1349378270 /nfs/dbraw/zinc/37/82/70/1349378270.db2.gz JFSUOZTXKKZNDJ-UHFFFAOYSA-N -1 1 328.376 2.431 20 0 EEADMM CCCN(CC)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001590624303 1349378275 /nfs/dbraw/zinc/37/82/75/1349378275.db2.gz JFSUOZTXKKZNDJ-UHFFFAOYSA-N -1 1 328.376 2.431 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590679068 1349386527 /nfs/dbraw/zinc/38/65/27/1349386527.db2.gz QIUCJDVZKOZXDY-UHFFFAOYSA-N -1 1 342.428 2.314 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590679068 1349386532 /nfs/dbraw/zinc/38/65/32/1349386532.db2.gz QIUCJDVZKOZXDY-UHFFFAOYSA-N -1 1 342.428 2.314 20 0 EEADMM CCc1nc(NCCc2ccc(C(C)=O)cc2)cc(-c2nnn[n-]2)n1 ZINC001590922781 1349412061 /nfs/dbraw/zinc/41/20/61/1349412061.db2.gz ZBYQWFPNRHIWOC-UHFFFAOYSA-N -1 1 337.387 2.076 20 0 EEADMM CCc1nc(NCCc2ccc(C(C)=O)cc2)cc(-c2nn[n-]n2)n1 ZINC001590922781 1349412064 /nfs/dbraw/zinc/41/20/64/1349412064.db2.gz ZBYQWFPNRHIWOC-UHFFFAOYSA-N -1 1 337.387 2.076 20 0 EEADMM CCc1nc(NCC[C@H]2CCC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001590919545 1349412963 /nfs/dbraw/zinc/41/29/63/1349412963.db2.gz LPFZCKZAISSIJE-LLVKDONJSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(NCC[C@H]2CCC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001590919545 1349412970 /nfs/dbraw/zinc/41/29/70/1349412970.db2.gz LPFZCKZAISSIJE-LLVKDONJSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)C[C@@H](OC)C3)cc(-c2nnn[n-]2)n1 ZINC001590925822 1349415510 /nfs/dbraw/zinc/41/55/10/1349415510.db2.gz ZTKOYJRWSRVGCE-ZDUSSCGKSA-N -1 1 337.387 2.076 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)C[C@@H](OC)C3)cc(-c2nn[n-]n2)n1 ZINC001590925822 1349415516 /nfs/dbraw/zinc/41/55/16/1349415516.db2.gz ZTKOYJRWSRVGCE-ZDUSSCGKSA-N -1 1 337.387 2.076 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591336454 1349463338 /nfs/dbraw/zinc/46/33/38/1349463338.db2.gz RMOACBIORCDOCB-VFZGTOFNSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591336454 1349463345 /nfs/dbraw/zinc/46/33/45/1349463345.db2.gz RMOACBIORCDOCB-VFZGTOFNSA-N -1 1 343.366 2.292 20 0 EEADMM COCCOc1ccc(Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001591446023 1349484703 /nfs/dbraw/zinc/48/47/03/1349484703.db2.gz WPKQCVFYHQLHMO-UHFFFAOYSA-N -1 1 332.389 2.400 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001591646911 1349524359 /nfs/dbraw/zinc/52/43/59/1349524359.db2.gz NIGWXEPYMBAQSR-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001591646911 1349524368 /nfs/dbraw/zinc/52/43/68/1349524368.db2.gz NIGWXEPYMBAQSR-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C)c3ccccc3n2)nn1C ZINC001591935011 1349560819 /nfs/dbraw/zinc/56/08/19/1349560819.db2.gz BTDFELHNJYKEGN-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C)c3ccccc3n2)nn1C ZINC001591935011 1349560834 /nfs/dbraw/zinc/56/08/34/1349560834.db2.gz BTDFELHNJYKEGN-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1ccc(-c2cnc(Cn3ccc(C)c(-c4nn[n-]n4)c3=O)o2)cc1 ZINC001592074796 1349588701 /nfs/dbraw/zinc/58/87/01/1349588701.db2.gz UJTPOCLHKMUAHP-UHFFFAOYSA-N -1 1 348.366 2.349 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001592205215 1349608228 /nfs/dbraw/zinc/60/82/28/1349608228.db2.gz RKXZIEVZUPWGHC-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001592205215 1349608232 /nfs/dbraw/zinc/60/82/32/1349608232.db2.gz RKXZIEVZUPWGHC-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1-c1nn[n-]n1 ZINC001592329990 1349622377 /nfs/dbraw/zinc/62/23/77/1349622377.db2.gz IWHHCBVHRHBRCI-OLZOCXBDSA-N -1 1 337.387 2.277 20 0 EEADMM Cc1nc(N[C@H]2CCOC3(CCCCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383338 1349625853 /nfs/dbraw/zinc/62/58/53/1349625853.db2.gz XEFAXOBIRNCODX-LBPRGKRZSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1nc(N[C@H]2CCOC3(CCCCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383338 1349625857 /nfs/dbraw/zinc/62/58/57/1349625857.db2.gz XEFAXOBIRNCODX-LBPRGKRZSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1nnc(C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C(C)(C)C)o1 ZINC001592442379 1349632665 /nfs/dbraw/zinc/63/26/65/1349632665.db2.gz HGQYKLJXWDSYEL-UHFFFAOYSA-N -1 1 327.392 2.359 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)c2cccs2)c1-c1nnn[n-]1 ZINC001592468809 1349634796 /nfs/dbraw/zinc/63/47/96/1349634796.db2.gz RLFTUWKNSDESJW-SSDOTTSWSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC001592468809 1349634797 /nfs/dbraw/zinc/63/47/97/1349634797.db2.gz RLFTUWKNSDESJW-SSDOTTSWSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C(F)F)o2)c1-c1nnn[n-]1 ZINC001592467763 1349634799 /nfs/dbraw/zinc/63/47/99/1349634799.db2.gz HFQVDIZYNVZNMP-UHFFFAOYSA-N -1 1 340.315 2.439 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C(F)F)o2)c1-c1nn[n-]n1 ZINC001592467763 1349634800 /nfs/dbraw/zinc/63/48/00/1349634800.db2.gz HFQVDIZYNVZNMP-UHFFFAOYSA-N -1 1 340.315 2.439 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001592497071 1349637220 /nfs/dbraw/zinc/63/72/20/1349637220.db2.gz UEZNRRIEVUMMOA-QGZVFWFLSA-N -1 1 341.346 2.479 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@](F)(c2ccccc2)C1 ZINC001592497071 1349637221 /nfs/dbraw/zinc/63/72/21/1349637221.db2.gz UEZNRRIEVUMMOA-QGZVFWFLSA-N -1 1 341.346 2.479 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001592503871 1349640702 /nfs/dbraw/zinc/64/07/02/1349640702.db2.gz XFBZLILXAGUBJW-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC001592503871 1349640706 /nfs/dbraw/zinc/64/07/06/1349640706.db2.gz XFBZLILXAGUBJW-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Clc1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)sc1-c1nnn[n-]1 ZINC001592540943 1349652560 /nfs/dbraw/zinc/65/25/60/1349652560.db2.gz SFTMHLDTUIZSRO-RKDXNWHRSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CCC[C@@H]([C@@H]3CCOC3)C2)sc1-c1nn[n-]n1 ZINC001592540943 1349652566 /nfs/dbraw/zinc/65/25/66/1349652566.db2.gz SFTMHLDTUIZSRO-RKDXNWHRSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CCC[C@@]3(CCCOC3)C2)sc1-c1nnn[n-]1 ZINC001592541218 1349653916 /nfs/dbraw/zinc/65/39/16/1349653916.db2.gz WPKSWWSOUHQANH-CYBMUJFWSA-N -1 1 340.840 2.374 20 0 EEADMM Clc1nc(N2CCC[C@@]3(CCCOC3)C2)sc1-c1nn[n-]n1 ZINC001592541218 1349653926 /nfs/dbraw/zinc/65/39/26/1349653926.db2.gz WPKSWWSOUHQANH-CYBMUJFWSA-N -1 1 340.840 2.374 20 0 EEADMM Clc1sc(N2CCCC[C@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592541936 1349654221 /nfs/dbraw/zinc/65/42/21/1349654221.db2.gz WTFIPXUGGSYIOY-QMMMGPOBSA-N -1 1 348.823 2.498 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001592543999 1349654695 /nfs/dbraw/zinc/65/46/95/1349654695.db2.gz UESPWINFJOLRHR-CMPLNLGQSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001592543999 1349654698 /nfs/dbraw/zinc/65/46/98/1349654698.db2.gz UESPWINFJOLRHR-CMPLNLGQSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1cc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)c(C2CCCC2)n1 ZINC001592566231 1349658783 /nfs/dbraw/zinc/65/87/83/1349658783.db2.gz JRQFQHHTIZXLFW-UHFFFAOYSA-N -1 1 342.359 2.208 20 0 EEADMM Cn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)c(C2CCCC2)n1 ZINC001592566231 1349658784 /nfs/dbraw/zinc/65/87/84/1349658784.db2.gz JRQFQHHTIZXLFW-UHFFFAOYSA-N -1 1 342.359 2.208 20 0 EEADMM Fc1cc(Nc2cc(-c3nnn[n-]3)ncn2)cc(F)c1N1CCCC1 ZINC001592642748 1349690345 /nfs/dbraw/zinc/69/03/45/1349690345.db2.gz FRDJOHJUDPFTMF-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Fc1cc(Nc2cc(-c3nn[n-]n3)ncn2)cc(F)c1N1CCCC1 ZINC001592642748 1349690347 /nfs/dbraw/zinc/69/03/47/1349690347.db2.gz FRDJOHJUDPFTMF-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cc1F ZINC001592647587 1349692216 /nfs/dbraw/zinc/69/22/16/1349692216.db2.gz UPKUZDCHYAWFIN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cc1F ZINC001592647587 1349692220 /nfs/dbraw/zinc/69/22/20/1349692220.db2.gz UPKUZDCHYAWFIN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592653847 1349698812 /nfs/dbraw/zinc/69/88/12/1349698812.db2.gz DPHYMGJQJHMHQU-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592978265 1349731661 /nfs/dbraw/zinc/73/16/61/1349731661.db2.gz MMEYNDWZRSDSQO-LSDHHAIUSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592978265 1349731665 /nfs/dbraw/zinc/73/16/65/1349731665.db2.gz MMEYNDWZRSDSQO-LSDHHAIUSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2c(c1)CCC2 ZINC001593195358 1349744294 /nfs/dbraw/zinc/74/42/94/1349744294.db2.gz AGHFVCDYQOLKGI-UHFFFAOYSA-N -1 1 335.371 2.208 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccoc1C1CC1 ZINC001593195796 1349744616 /nfs/dbraw/zinc/74/46/16/1349744616.db2.gz FWHZHERXNLXTCC-UHFFFAOYSA-N -1 1 325.332 2.190 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc(-n2cccc2)c1 ZINC001593203622 1349746004 /nfs/dbraw/zinc/74/60/04/1349746004.db2.gz XZUXUUFFAIZXFA-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001593267448 1349756417 /nfs/dbraw/zinc/75/64/17/1349756417.db2.gz FOQXXJBAGFHNGI-WDSKDSINSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001593267448 1349756419 /nfs/dbraw/zinc/75/64/19/1349756419.db2.gz FOQXXJBAGFHNGI-WDSKDSINSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1(c2ccccc2)CCC1 ZINC001593302110 1349774008 /nfs/dbraw/zinc/77/40/08/1349774008.db2.gz VDAPJIBTSJMRCR-UHFFFAOYSA-N -1 1 335.367 2.427 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1(c2ccccc2)CCC1 ZINC001593302110 1349774013 /nfs/dbraw/zinc/77/40/13/1349774013.db2.gz VDAPJIBTSJMRCR-UHFFFAOYSA-N -1 1 335.367 2.427 20 0 EEADMM O=C(OCc1nc2ccccc2s1)c1coc(-c2nnn[n-]2)c1 ZINC001593307630 1349776540 /nfs/dbraw/zinc/77/65/40/1349776540.db2.gz UQPNUTHGZDFGQJ-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(OCc1nc2ccccc2s1)c1coc(-c2nn[n-]n2)c1 ZINC001593307630 1349776542 /nfs/dbraw/zinc/77/65/42/1349776542.db2.gz UQPNUTHGZDFGQJ-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1CC1CCC1 ZINC001593337069 1349783411 /nfs/dbraw/zinc/78/34/11/1349783411.db2.gz LVTXMFLALBGWJL-AWEZNQCLSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1CC1CCC1 ZINC001593337069 1349783414 /nfs/dbraw/zinc/78/34/14/1349783414.db2.gz LVTXMFLALBGWJL-AWEZNQCLSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1CC1CCC1 ZINC001593337070 1349783485 /nfs/dbraw/zinc/78/34/85/1349783485.db2.gz LVTXMFLALBGWJL-CQSZACIVSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1CC1CCC1 ZINC001593337070 1349783488 /nfs/dbraw/zinc/78/34/88/1349783488.db2.gz LVTXMFLALBGWJL-CQSZACIVSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2c(F)ccc(F)c2C1 ZINC001593362093 1349790347 /nfs/dbraw/zinc/79/03/47/1349790347.db2.gz FYEJWFJWGQVIIU-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2c(F)ccc(F)c2C1 ZINC001593362093 1349790352 /nfs/dbraw/zinc/79/03/52/1349790352.db2.gz FYEJWFJWGQVIIU-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2cc(F)cc(F)c21 ZINC001593369362 1349792183 /nfs/dbraw/zinc/79/21/83/1349792183.db2.gz JKPIKFUPHFZLAE-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2cc(F)cc(F)c21 ZINC001593369362 1349792187 /nfs/dbraw/zinc/79/21/87/1349792187.db2.gz JKPIKFUPHFZLAE-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=Cc1cc(Oc2cnc(-c3nnn[n-]3)cn2)cc(C(F)(F)F)c1 ZINC001593416050 1349798757 /nfs/dbraw/zinc/79/87/57/1349798757.db2.gz STEZSCDEBOQKHD-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=Cc1cc(Oc2cnc(-c3nn[n-]n3)cn2)cc(C(F)(F)F)c1 ZINC001593416050 1349798760 /nfs/dbraw/zinc/79/87/60/1349798760.db2.gz STEZSCDEBOQKHD-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCCSCc1ccccc1 ZINC001593496819 1349820652 /nfs/dbraw/zinc/82/06/52/1349820652.db2.gz YTNPVQBTLICGFS-UHFFFAOYSA-N -1 1 327.413 2.352 20 0 EEADMM O=c1[nH]c2ccc(NCc3cccc(-c4nnn[n-]4)n3)cc2n1C1CC1 ZINC001593541272 1349837280 /nfs/dbraw/zinc/83/72/80/1349837280.db2.gz GSDJVFNRGKIJIV-UHFFFAOYSA-N -1 1 348.370 2.264 20 0 EEADMM O=c1[nH]c2ccc(NCc3cccc(-c4nn[n-]n4)n3)cc2n1C1CC1 ZINC001593541272 1349837283 /nfs/dbraw/zinc/83/72/83/1349837283.db2.gz GSDJVFNRGKIJIV-UHFFFAOYSA-N -1 1 348.370 2.264 20 0 EEADMM c1c(NC[C@@H]2CCC23CCOCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543127 1349839002 /nfs/dbraw/zinc/83/90/02/1349839002.db2.gz CTRQXWBJNITBAW-LBPRGKRZSA-N -1 1 341.419 2.153 20 0 EEADMM c1c(NC[C@@H]2CCC23CCOCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543127 1349839005 /nfs/dbraw/zinc/83/90/05/1349839005.db2.gz CTRQXWBJNITBAW-LBPRGKRZSA-N -1 1 341.419 2.153 20 0 EEADMM c1cc(NCCc2ccc3c(c2)OCCCO3)nc(-c2nnn[n-]2)c1 ZINC001593560337 1349849277 /nfs/dbraw/zinc/84/92/77/1349849277.db2.gz BKZOGCPBSHMFJA-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1cc(NCCc2ccc3c(c2)OCCCO3)nc(-c2nn[n-]n2)c1 ZINC001593560337 1349849280 /nfs/dbraw/zinc/84/92/80/1349849280.db2.gz BKZOGCPBSHMFJA-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1sc(C2CC2)nc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593596024 1349870594 /nfs/dbraw/zinc/87/05/94/1349870594.db2.gz IKOVFBBBOWKOPN-UHFFFAOYSA-N -1 1 328.405 2.413 20 0 EEADMM c1sc(C2CC2)nc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593596024 1349870599 /nfs/dbraw/zinc/87/05/99/1349870599.db2.gz IKOVFBBBOWKOPN-UHFFFAOYSA-N -1 1 328.405 2.413 20 0 EEADMM Cc1cc(CNCc2cccc(N3CCOCC3)c2)oc1C(=O)[O-] ZINC001600209444 1349993616 /nfs/dbraw/zinc/99/36/16/1349993616.db2.gz HZBZOVJBNVFPFR-UHFFFAOYSA-N -1 1 330.384 2.413 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001600353745 1350027236 /nfs/dbraw/zinc/02/72/36/1350027236.db2.gz XGFVGHMJSZWVNJ-FRIZHTMISA-N -1 1 346.427 2.115 20 0 EEADMM Cn1cc([C@@H]2CSCC[N@H+]2CCc2ccccc2C(=O)[O-])cn1 ZINC001600943589 1350173708 /nfs/dbraw/zinc/17/37/08/1350173708.db2.gz KFAMCYUHESNJIN-INIZCTEOSA-N -1 1 331.441 2.451 20 0 EEADMM Cn1cc([C@@H]2CSCCN2CCc2ccccc2C(=O)[O-])cn1 ZINC001600943589 1350173710 /nfs/dbraw/zinc/17/37/10/1350173710.db2.gz KFAMCYUHESNJIN-INIZCTEOSA-N -1 1 331.441 2.451 20 0 EEADMM Cn1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC001600952878 1350175625 /nfs/dbraw/zinc/17/56/25/1350175625.db2.gz OKGDDGILIYQAFP-NSHDSACASA-N -1 1 331.269 2.494 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC2(CCOCC2)CC1 ZINC001601308657 1350254410 /nfs/dbraw/zinc/25/44/10/1350254410.db2.gz NWGLLVBWMZQDCP-UHFFFAOYSA-N -1 1 332.400 2.216 20 0 EEADMM O=C([O-])c1cccc(CCNC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC001601513050 1350298160 /nfs/dbraw/zinc/29/81/60/1350298160.db2.gz FTFVRCAEIJXOFJ-AWEZNQCLSA-N -1 1 328.372 2.027 20 0 EEADMM O=C([O-])C1(C2(O)CCN(Cc3cc4c(cc[nH]c4=O)o3)CC2)CCC1 ZINC001601704774 1350342888 /nfs/dbraw/zinc/34/28/88/1350342888.db2.gz BJLSRNDCQMQLAU-UHFFFAOYSA-N -1 1 346.383 2.115 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001601858144 1350382335 /nfs/dbraw/zinc/38/23/35/1350382335.db2.gz YKGCVVINMOGGAB-MRXNPFEDSA-N -1 1 345.468 2.375 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)CCN2CC[C@@H](F)C2)cc1 ZINC001601997601 1350414184 /nfs/dbraw/zinc/41/41/84/1350414184.db2.gz VBSGKQRVPAGLSY-CYBMUJFWSA-N -1 1 338.379 2.303 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc(OC(F)F)c(Cl)c1 ZINC001602004815 1350416523 /nfs/dbraw/zinc/41/65/23/1350416523.db2.gz MZMOPMGGPXGMPZ-UHFFFAOYSA-N -1 1 337.706 2.303 20 0 EEADMM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC001602008750 1350417591 /nfs/dbraw/zinc/41/75/91/1350417591.db2.gz DOKNYEBIHWCKBI-UHFFFAOYSA-N -1 1 342.330 2.214 20 0 EEADMM O=C([O-])CN1CCN(C(=O)CCCCCc2ccc(F)cc2)CC1 ZINC001602062820 1350430410 /nfs/dbraw/zinc/43/04/10/1350430410.db2.gz CPQTUVIWXFPGEI-UHFFFAOYSA-N -1 1 336.407 2.157 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@@H]21 ZINC001602203869 1350464742 /nfs/dbraw/zinc/46/47/42/1350464742.db2.gz DLUZJLMFDYMZJE-UPOTYTSGSA-N -1 1 348.251 2.363 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)ccn1 ZINC001602245204 1350475089 /nfs/dbraw/zinc/47/50/89/1350475089.db2.gz NNQUPLVDZNPNRI-QGZVFWFLSA-N -1 1 348.362 2.291 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C3CCN(CC(=O)N4CCC4)CC3)c2c1 ZINC001602410349 1350513264 /nfs/dbraw/zinc/51/32/64/1350513264.db2.gz ABUPEDPEZLAUIY-UHFFFAOYSA-N -1 1 341.411 2.278 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN(CCO)C1CCC1 ZINC001602430744 1350518011 /nfs/dbraw/zinc/51/80/11/1350518011.db2.gz ODKRPAVESBCJDP-UHFFFAOYSA-N -1 1 328.206 2.494 20 0 EEADMM O=C([O-])c1cccc(OCc2noc(C34CCCN(CCC3)C4)n2)c1 ZINC001602451206 1350522425 /nfs/dbraw/zinc/52/24/25/1350522425.db2.gz YRIXGOQNOHABCO-UHFFFAOYSA-N -1 1 343.383 2.474 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](CCc3c(F)cccc3F)C2)nn1 ZINC001602494562 1350531704 /nfs/dbraw/zinc/53/17/04/1350531704.db2.gz HCUOGMUWVHVUHF-LLVKDONJSA-N -1 1 336.342 2.134 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)CC23CCCC3)C1 ZINC001602634855 1350562898 /nfs/dbraw/zinc/56/28/98/1350562898.db2.gz ICXATVCUEUTFNV-LJQANCHMSA-N -1 1 328.412 2.217 20 0 EEADMM CC(C)n1cnc2ccc(CNc3cncc(-c4nnn[n-]4)n3)cc21 ZINC001603433410 1350704667 /nfs/dbraw/zinc/70/46/67/1350704667.db2.gz DTMHYYPAMXERFL-UHFFFAOYSA-N -1 1 335.375 2.199 20 0 EEADMM CC(C)n1cnc2ccc(CNc3cncc(-c4nn[n-]n4)n3)cc21 ZINC001603433410 1350704671 /nfs/dbraw/zinc/70/46/71/1350704671.db2.gz DTMHYYPAMXERFL-UHFFFAOYSA-N -1 1 335.375 2.199 20 0 EEADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)OCCc1ccccc1 ZINC001603569367 1350721180 /nfs/dbraw/zinc/72/11/80/1350721180.db2.gz PQAHEYYGMPKMGY-GFCCVEGCSA-N -1 1 342.355 2.264 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1cc(-c2nnn[n-]2)ncn1 ZINC001603842877 1350779848 /nfs/dbraw/zinc/77/98/48/1350779848.db2.gz VBGBPWXRDNZHQD-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1cc(-c2nn[n-]n2)ncn1 ZINC001603842877 1350779853 /nfs/dbraw/zinc/77/98/53/1350779853.db2.gz VBGBPWXRDNZHQD-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccnc(-c4nnn[n-]4)c3)C2)C1 ZINC001603882363 1350791741 /nfs/dbraw/zinc/79/17/41/1350791741.db2.gz VLGQJQDDLQRPMG-BDJLRTHQSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccnc(-c4nn[n-]n4)c3)C2)C1 ZINC001603882363 1350791746 /nfs/dbraw/zinc/79/17/46/1350791746.db2.gz VLGQJQDDLQRPMG-BDJLRTHQSA-N -1 1 327.392 2.306 20 0 EEADMM CC(C)Oc1c(NC(=O)N2CC[N@H+]3CC[C@H]2C3)cccc1C(=O)[O-] ZINC001603931657 1350804029 /nfs/dbraw/zinc/80/40/29/1350804029.db2.gz AHYKBZSOYSSAKZ-LBPRGKRZSA-N -1 1 333.388 2.094 20 0 EEADMM CC[C@@H](C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603996485 1350824227 /nfs/dbraw/zinc/82/42/27/1350824227.db2.gz JLTOIQJHCDEMCS-OQPBUACISA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603996485 1350824230 /nfs/dbraw/zinc/82/42/30/1350824230.db2.gz JLTOIQJHCDEMCS-OQPBUACISA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)c1sc(NC(=O)Cc2n[nH]c(C3CC3)n2)nc1C(=O)[O-] ZINC001604032211 1350834678 /nfs/dbraw/zinc/83/46/78/1350834678.db2.gz VTVCEORCKIKXCX-UHFFFAOYSA-N -1 1 335.389 2.141 20 0 EEADMM CCC(F)(F)Cn1c(C)c(Br)cc(-c2nn[n-]n2)c1=O ZINC001604044315 1350838075 /nfs/dbraw/zinc/83/80/75/1350838075.db2.gz XXQXEDYERQAFET-UHFFFAOYSA-N -1 1 348.151 2.145 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cc(F)ccc1F ZINC001604050324 1350839470 /nfs/dbraw/zinc/83/94/70/1350839470.db2.gz JOTMURDBBQBZEB-GFCCVEGCSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC001604050324 1350839473 /nfs/dbraw/zinc/83/94/73/1350839473.db2.gz JOTMURDBBQBZEB-GFCCVEGCSA-N -1 1 344.325 2.421 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)[C@H]1OC ZINC001604086143 1350851818 /nfs/dbraw/zinc/85/18/18/1350851818.db2.gz PCKCVIKIGCBWLU-RAIGVLPGSA-N -1 1 331.424 2.217 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)[C@H]1OC ZINC001604086143 1350851819 /nfs/dbraw/zinc/85/18/19/1350851819.db2.gz PCKCVIKIGCBWLU-RAIGVLPGSA-N -1 1 331.424 2.217 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)NCCC1CCCCC1)c1ccncc1 ZINC001604089852 1350853135 /nfs/dbraw/zinc/85/31/35/1350853135.db2.gz XUAPDONYBSDIKF-LJQANCHMSA-N -1 1 347.459 2.448 20 0 EEADMM CCC[C@@H](C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604136460 1350870333 /nfs/dbraw/zinc/87/03/33/1350870333.db2.gz AVVBPIAZNNEEOX-SSDOTTSWSA-N -1 1 328.298 2.199 20 0 EEADMM CCCCCc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)n[nH]1 ZINC001604178625 1350885125 /nfs/dbraw/zinc/88/51/25/1350885125.db2.gz GHGFZGHCKPPGLT-UHFFFAOYSA-N -1 1 341.375 2.075 20 0 EEADMM CCCCCc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC001604178625 1350885127 /nfs/dbraw/zinc/88/51/27/1350885127.db2.gz GHGFZGHCKPPGLT-UHFFFAOYSA-N -1 1 341.375 2.075 20 0 EEADMM CCCCO[C@@H]1C[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001604187544 1350888198 /nfs/dbraw/zinc/88/81/98/1350888198.db2.gz NEGYKRMFOJJYAM-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@@H]1C[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001604187544 1350888203 /nfs/dbraw/zinc/88/82/03/1350888203.db2.gz NEGYKRMFOJJYAM-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM CCCN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1snc(C)c1-c1nnn[n-]1 ZINC001604195970 1350890784 /nfs/dbraw/zinc/89/07/84/1350890784.db2.gz QLBNPMNCLZYUHV-URLYPYJESA-N -1 1 332.433 2.421 20 0 EEADMM CCCN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1snc(C)c1-c1nn[n-]n1 ZINC001604195970 1350890788 /nfs/dbraw/zinc/89/07/88/1350890788.db2.gz QLBNPMNCLZYUHV-URLYPYJESA-N -1 1 332.433 2.421 20 0 EEADMM CCCN(CC(F)F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604200589 1350891781 /nfs/dbraw/zinc/89/17/81/1350891781.db2.gz OKDQKJPNRIXTAF-UHFFFAOYSA-N -1 1 330.364 2.115 20 0 EEADMM C[C@H](Cc1ccc(NC(=O)c2ccc3c(n2)CNCC3)cc1)C(=O)[O-] ZINC001604227962 1350897789 /nfs/dbraw/zinc/89/77/89/1350897789.db2.gz GBCBPIDSBSZDMN-GFCCVEGCSA-N -1 1 339.395 2.243 20 0 EEADMM CCN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604290414 1350910630 /nfs/dbraw/zinc/91/06/30/1350910630.db2.gz UYGYPBVOKXROMU-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CCN(C[C@@H]1CCCO1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604290414 1350910632 /nfs/dbraw/zinc/91/06/32/1350910632.db2.gz UYGYPBVOKXROMU-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC001604460389 1350942339 /nfs/dbraw/zinc/94/23/39/1350942339.db2.gz NNUUEPLNQBRFCC-APPDUMDISA-N -1 1 330.384 2.405 20 0 EEADMM CC[S@](=O)[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604476327 1350945701 /nfs/dbraw/zinc/94/57/01/1350945701.db2.gz QQRWRBRMPWVOMN-QKESZYPNSA-N -1 1 340.478 2.123 20 0 EEADMM CCc1c(C)sc([N-]C(=O)c2cc(OC)no2)c1-c1nn[nH]n1 ZINC001604506162 1350950784 /nfs/dbraw/zinc/95/07/84/1350950784.db2.gz XQQHTTUQSAEMGS-UHFFFAOYSA-N -1 1 334.361 2.048 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C[C@@H](C)C1 ZINC001604654125 1350978586 /nfs/dbraw/zinc/97/85/86/1350978586.db2.gz FCVQKEMVJSPZQW-QXSJWSMHSA-N -1 1 339.480 2.249 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001604722655 1350991732 /nfs/dbraw/zinc/99/17/32/1350991732.db2.gz MJFUZLOASCBYIA-UHFFFAOYSA-N -1 1 335.433 2.086 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001604722655 1350991737 /nfs/dbraw/zinc/99/17/37/1350991737.db2.gz MJFUZLOASCBYIA-UHFFFAOYSA-N -1 1 335.433 2.086 20 0 EEADMM C[C@@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C[C@@]2(CCOC2)O1 ZINC001604799386 1351008661 /nfs/dbraw/zinc/00/86/61/1351008661.db2.gz IGUYECJHQGTSFX-RDTXWAMCSA-N -1 1 331.412 2.183 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1cccnc1-c1nnn[n-]1 ZINC001604810556 1351012076 /nfs/dbraw/zinc/01/20/76/1351012076.db2.gz QHDKGOMQQPDIIR-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1cccnc1-c1nn[n-]n1 ZINC001604810556 1351012082 /nfs/dbraw/zinc/01/20/82/1351012082.db2.gz QHDKGOMQQPDIIR-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM CC[C@H](C)c1nc([C@@H](C)NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)n[nH]1 ZINC001604977480 1351043426 /nfs/dbraw/zinc/04/34/26/1351043426.db2.gz QNNJXDCWMARDLJ-HOSYDEDBSA-N -1 1 337.424 2.179 20 0 EEADMM CC[C@@H](NCc1nn(C)cc1Br)C1(C(=O)[O-])CCC1 ZINC001605099793 1351077952 /nfs/dbraw/zinc/07/79/52/1351077952.db2.gz VEIQAASDRDFHOA-LLVKDONJSA-N -1 1 330.226 2.306 20 0 EEADMM CCCCCC[C@](O)(CN1CC[S@@](=O)C(C)(C)CC1)C(=O)[O-] ZINC001605265825 1351119884 /nfs/dbraw/zinc/11/98/84/1351119884.db2.gz NOYQTJSILHMKOT-KSFYIVLOSA-N -1 1 333.494 2.006 20 0 EEADMM COc1ccc(CN(C)c2ccc(C)nc2-c2nnn[n-]2)cc1OC ZINC001605274646 1351121534 /nfs/dbraw/zinc/12/15/34/1351121534.db2.gz UCQKUDSSPYLGKU-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1ccc(CN(C)c2ccc(C)nc2-c2nn[n-]n2)cc1OC ZINC001605274646 1351121536 /nfs/dbraw/zinc/12/15/36/1351121536.db2.gz UCQKUDSSPYLGKU-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605330592 1351138425 /nfs/dbraw/zinc/13/84/25/1351138425.db2.gz AXGQIKBFUXDSBM-WMLDXEAASA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605330592 1351138426 /nfs/dbraw/zinc/13/84/26/1351138426.db2.gz AXGQIKBFUXDSBM-WMLDXEAASA-N -1 1 337.387 2.116 20 0 EEADMM COc1nccc2cc(NCc3cccc(-c4nnn[n-]4)n3)ccc21 ZINC001605349395 1351142625 /nfs/dbraw/zinc/14/26/25/1351142625.db2.gz HJLNSXFQYUVOQV-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1nccc2cc(NCc3cccc(-c4nn[n-]n4)n3)ccc21 ZINC001605349395 1351142629 /nfs/dbraw/zinc/14/26/29/1351142629.db2.gz HJLNSXFQYUVOQV-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CCN(CC)[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1C)c1ccccc1 ZINC001605426330 1351156546 /nfs/dbraw/zinc/15/65/46/1351156546.db2.gz WXOCMGPXNXDTOD-QGZVFWFLSA-N -1 1 344.415 2.298 20 0 EEADMM Cc1c2ccccc2oc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001605481558 1351168145 /nfs/dbraw/zinc/16/81/45/1351168145.db2.gz IWUYTOLMFKZIJG-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1c2ccccc2oc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001605481558 1351168149 /nfs/dbraw/zinc/16/81/49/1351168149.db2.gz IWUYTOLMFKZIJG-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2nc(-c3cccs3)c[nH]2)n1 ZINC001605583727 1351194766 /nfs/dbraw/zinc/19/47/66/1351194766.db2.gz CJNMNPFJZPELIC-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2nc(-c3cccs3)c[nH]2)n1 ZINC001605583727 1351194770 /nfs/dbraw/zinc/19/47/70/1351194770.db2.gz CJNMNPFJZPELIC-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2cccnc2-c2nnn[n-]2)c1 ZINC001605833109 1351231541 /nfs/dbraw/zinc/23/15/41/1351231541.db2.gz RHAVGTINGALGQA-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1ccc(C)c(OCC(=O)OCc2cccnc2-c2nn[n-]n2)c1 ZINC001605833109 1351231545 /nfs/dbraw/zinc/23/15/45/1351231545.db2.gz RHAVGTINGALGQA-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605842541 1351233921 /nfs/dbraw/zinc/23/39/21/1351233921.db2.gz VZQLJKABNHEJGH-OAHLLOKOSA-N -1 1 335.415 2.485 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605842541 1351233925 /nfs/dbraw/zinc/23/39/25/1351233925.db2.gz VZQLJKABNHEJGH-OAHLLOKOSA-N -1 1 335.415 2.485 20 0 EEADMM Cc1ccc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605865134 1351240674 /nfs/dbraw/zinc/24/06/74/1351240674.db2.gz SKZQIEMTXDLFHA-KRWDZBQOSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605865134 1351240677 /nfs/dbraw/zinc/24/06/77/1351240677.db2.gz SKZQIEMTXDLFHA-KRWDZBQOSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001605864400 1351240722 /nfs/dbraw/zinc/24/07/22/1351240722.db2.gz BSSIAXXWGVNRLS-CYBMUJFWSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001605864400 1351240725 /nfs/dbraw/zinc/24/07/25/1351240725.db2.gz BSSIAXXWGVNRLS-CYBMUJFWSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)cn1 ZINC001605872223 1351242417 /nfs/dbraw/zinc/24/24/17/1351242417.db2.gz SWUJRGORWPTWJZ-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001605872579 1351242486 /nfs/dbraw/zinc/24/24/86/1351242486.db2.gz YESLQBCTRKFEFF-UONOGXRCSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001605872579 1351242488 /nfs/dbraw/zinc/24/24/88/1351242488.db2.gz YESLQBCTRKFEFF-UONOGXRCSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc2cc(OC(=O)[C@@H](C)n3cnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001605890183 1351247373 /nfs/dbraw/zinc/24/73/73/1351247373.db2.gz ZEAKHCZDCHSKKZ-LLVKDONJSA-N -1 1 349.354 2.086 20 0 EEADMM CN(C[C@H]1CCN(Cc2oncc2C(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001606100708 1351271003 /nfs/dbraw/zinc/27/10/03/1351271003.db2.gz DTBGYGFQLHJOEO-LLVKDONJSA-N -1 1 339.392 2.062 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC001606164723 1351279725 /nfs/dbraw/zinc/27/97/25/1351279725.db2.gz FBYMAWNOKFBWGU-SNVBAGLBSA-N -1 1 341.371 2.177 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC001606164723 1351279729 /nfs/dbraw/zinc/27/97/29/1351279729.db2.gz FBYMAWNOKFBWGU-SNVBAGLBSA-N -1 1 341.371 2.177 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)C[C@H](C(=O)[O-])C1 ZINC001606236435 1351287143 /nfs/dbraw/zinc/28/71/43/1351287143.db2.gz XOQWNWNDJMBNAQ-MRVPVSSYSA-N -1 1 349.189 2.221 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)C[C@H](C(=O)[O-])C1 ZINC001606236435 1351287147 /nfs/dbraw/zinc/28/71/47/1351287147.db2.gz XOQWNWNDJMBNAQ-MRVPVSSYSA-N -1 1 349.189 2.221 20 0 EEADMM COC(=O)C[C@H]1CCCN1Cn1ncc2c1ccc(C)c2C(=O)[O-] ZINC001606447645 1351303322 /nfs/dbraw/zinc/30/33/22/1351303322.db2.gz WAMGIMBXGKJYHW-GFCCVEGCSA-N -1 1 331.372 2.028 20 0 EEADMM COC(=O)c1cc(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)no1 ZINC001606539950 1351319703 /nfs/dbraw/zinc/31/97/03/1351319703.db2.gz HVWIXDKDEWSPJE-UHFFFAOYSA-N -1 1 334.328 2.132 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)C1CCCCC1 ZINC001606617463 1351332388 /nfs/dbraw/zinc/33/23/88/1351332388.db2.gz NQHQFOSULHOCPJ-UHFFFAOYSA-N -1 1 337.383 2.331 20 0 EEADMM COC[C@@](C)(NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001606791661 1351357085 /nfs/dbraw/zinc/35/70/85/1351357085.db2.gz NMDUJIRJSRSPJQ-MRXNPFEDSA-N -1 1 337.807 2.413 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001606845288 1351366006 /nfs/dbraw/zinc/36/60/06/1351366006.db2.gz VNFZKZQBFNOYNK-GHMZBOCLSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001606845288 1351366008 /nfs/dbraw/zinc/36/60/08/1351366008.db2.gz VNFZKZQBFNOYNK-GHMZBOCLSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1ccccc1F ZINC001606944239 1351381339 /nfs/dbraw/zinc/38/13/39/1351381339.db2.gz OMOMSKWCFPHKKE-WCQYABFASA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1ccccc1F ZINC001606944239 1351381343 /nfs/dbraw/zinc/38/13/43/1351381343.db2.gz OMOMSKWCFPHKKE-WCQYABFASA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1C[C@@H]2CCCC[C@@H]21 ZINC001606949842 1351383300 /nfs/dbraw/zinc/38/33/00/1351383300.db2.gz LGOLNVCXEMDPGU-BQBZGAKWSA-N -1 1 339.812 2.383 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001607017459 1351398468 /nfs/dbraw/zinc/39/84/68/1351398468.db2.gz ZIGBWOPUXJQQTP-QJPTWQEYSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001607017459 1351398470 /nfs/dbraw/zinc/39/84/70/1351398470.db2.gz ZIGBWOPUXJQQTP-QJPTWQEYSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC001607033219 1351401380 /nfs/dbraw/zinc/40/13/80/1351401380.db2.gz STHLSQKXQUQAML-HNNXBMFYSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC001607033219 1351401382 /nfs/dbraw/zinc/40/13/82/1351401382.db2.gz STHLSQKXQUQAML-HNNXBMFYSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2cc(F)ccc2C1 ZINC001607032115 1351401899 /nfs/dbraw/zinc/40/18/99/1351401899.db2.gz STGUBVXANXKKMI-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N(C1CCC1)C1CCC1 ZINC001607074622 1351406340 /nfs/dbraw/zinc/40/63/40/1351406340.db2.gz QANICJSHIKBKMT-UHFFFAOYSA-N -1 1 339.446 2.024 20 0 EEADMM c1ccc(CCc2noc(COc3cccnc3-c3nnn[n-]3)n2)cc1 ZINC001607128204 1351430527 /nfs/dbraw/zinc/43/05/27/1351430527.db2.gz ICOGBFOHMZFNOX-UHFFFAOYSA-N -1 1 349.354 2.009 20 0 EEADMM c1ccc(CCc2noc(COc3cccnc3-c3nn[n-]n3)n2)cc1 ZINC001607128204 1351430530 /nfs/dbraw/zinc/43/05/30/1351430530.db2.gz ICOGBFOHMZFNOX-UHFFFAOYSA-N -1 1 349.354 2.009 20 0 EEADMM c1ccc2c(c1)OC[C@H]2CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001607131665 1351433176 /nfs/dbraw/zinc/43/31/76/1351433176.db2.gz HHIOAPCYWLWDCV-LLVKDONJSA-N -1 1 335.371 2.122 20 0 EEADMM c1ccc2c(c1)OC[C@H]2CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001607131665 1351433178 /nfs/dbraw/zinc/43/31/78/1351433178.db2.gz HHIOAPCYWLWDCV-LLVKDONJSA-N -1 1 335.371 2.122 20 0 EEADMM COc1nsc(CN(C)CCCC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC001607363535 1351482764 /nfs/dbraw/zinc/48/27/64/1351482764.db2.gz QSNSEJURRBRXEF-UHFFFAOYSA-N -1 1 344.433 2.404 20 0 EEADMM COc1cncc(N2CCN(Cc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC001607355498 1351481563 /nfs/dbraw/zinc/48/15/63/1351481563.db2.gz BWJSMVZMDKDEKU-UHFFFAOYSA-N -1 1 341.411 2.419 20 0 EEADMM COc1nn(C)cc1CNCc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001607362173 1351482258 /nfs/dbraw/zinc/48/22/58/1351482258.db2.gz CHZPLFPJLPUKKY-UHFFFAOYSA-N -1 1 346.362 2.048 20 0 EEADMM COc1nsc(CN(C)CCN(C)c2ccccc2)c1C(=O)[O-] ZINC001607364188 1351483078 /nfs/dbraw/zinc/48/30/78/1351483078.db2.gz YUWUEOXIXNCXNZ-UHFFFAOYSA-N -1 1 335.429 2.418 20 0 EEADMM CSc1ccc(NC(=O)Cc2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC001607408517 1351489645 /nfs/dbraw/zinc/48/96/45/1351489645.db2.gz VVAKKEDYXLPRJU-UHFFFAOYSA-N -1 1 332.385 2.283 20 0 EEADMM C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463549 1351497988 /nfs/dbraw/zinc/49/79/88/1351497988.db2.gz YNVQSISBZQGKRO-WCQGTBRESA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1C[C@H](N2CCC[C@@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463549 1351497992 /nfs/dbraw/zinc/49/79/92/1351497992.db2.gz YNVQSISBZQGKRO-WCQGTBRESA-N -1 1 340.470 2.339 20 0 EEADMM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001607599403 1351522043 /nfs/dbraw/zinc/52/20/43/1351522043.db2.gz NQNICRQITCGQRL-UHFFFAOYSA-N -1 1 349.412 2.409 20 0 EEADMM Cc1cc(CNCc2ccccc2CN2CCOCC2)oc1C(=O)[O-] ZINC001607648629 1351532934 /nfs/dbraw/zinc/53/29/34/1351532934.db2.gz OAXXADUULYJEOR-UHFFFAOYSA-N -1 1 344.411 2.408 20 0 EEADMM Cc1ccc(C2=CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)cc1 ZINC001607767063 1351554421 /nfs/dbraw/zinc/55/44/21/1351554421.db2.gz OKOFEOPVUPXXSE-QGZVFWFLSA-N -1 1 328.412 2.160 20 0 EEADMM Cc1cccc([C@@H]2C(=O)NCCN2C[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001607847220 1351570279 /nfs/dbraw/zinc/57/02/79/1351570279.db2.gz ISILEYWZNMXIQD-GVDBMIGSSA-N -1 1 330.428 2.359 20 0 EEADMM Cn1nc2c(c1CN1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)CCCC2 ZINC001608151969 1351636372 /nfs/dbraw/zinc/63/63/72/1351636372.db2.gz SIBARKASCWSPHW-WDEREUQCSA-N -1 1 345.365 2.384 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)C[C@H](O)c3cccc(F)c3)[nH]c21 ZINC001608289808 1351664778 /nfs/dbraw/zinc/66/47/78/1351664778.db2.gz FJFNUUIHSBHTHG-ZDUSSCGKSA-N -1 1 343.314 2.462 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc2ccn(C)c2c1)c1nn[n-]n1 ZINC001623803117 1352405754 /nfs/dbraw/zinc/40/57/54/1352405754.db2.gz UNGHWXKYQZRNGU-LBPRGKRZSA-N -1 1 345.432 2.307 20 0 EEADMM COc1cc2[n-]cc(C(=O)NCCc3ccco3)c(=O)c2c(OC)c1 ZINC001623932526 1352409241 /nfs/dbraw/zinc/40/92/41/1352409241.db2.gz YECBDMBTWTUFKW-UHFFFAOYSA-N -1 1 342.351 2.111 20 0 EEADMM O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001624724245 1352428875 /nfs/dbraw/zinc/42/88/75/1352428875.db2.gz FAXUPQGYWOOMCX-UHFFFAOYSA-N -1 1 348.362 2.365 20 0 EEADMM COCc1noc([C@H](C)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001647237866 1353202591 /nfs/dbraw/zinc/20/25/91/1353202591.db2.gz FAOGJWJHKLDART-YUTCNCBUSA-N -1 1 331.372 2.077 20 0 EEADMM O=C(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650583360 1354005011 /nfs/dbraw/zinc/00/50/11/1354005011.db2.gz YGCFVPKDJYINAY-VIFPVBQESA-N -1 1 326.187 2.065 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c(F)c1 ZINC001660346583 1354445363 /nfs/dbraw/zinc/44/53/63/1354445363.db2.gz BAQBXVVDBVJREP-UHFFFAOYSA-N -1 1 337.351 2.399 20 0 EEADMM CCC[C@H](C)CC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001388343651 1387392192 /nfs/dbraw/zinc/39/21/92/1387392192.db2.gz TYNXMGNPIPSUJN-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1ccsc1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001388433273 1387459069 /nfs/dbraw/zinc/45/90/69/1387459069.db2.gz MDVKIRJOHCZHAV-LLVKDONJSA-N -1 1 347.440 2.207 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001388492855 1387503892 /nfs/dbraw/zinc/50/38/92/1387503892.db2.gz OOWCKHNIEIRLFZ-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001388803818 1387714895 /nfs/dbraw/zinc/71/48/95/1387714895.db2.gz GQZRAMXXKPOPFD-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555805 1368159112 /nfs/dbraw/zinc/15/91/12/1368159112.db2.gz HZLFEUKHVICXDJ-UHFFFAOYSA-N -1 1 341.396 2.156 20 0 EEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)nc1F)c1ccncc1 ZINC000867040768 1368300429 /nfs/dbraw/zinc/30/04/29/1368300429.db2.gz FIFHYQLFQQZGKK-UHFFFAOYSA-N -1 1 327.356 2.011 20 0 EEADMM CC(=O)C(=O)Oc1ccccc1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001193407161 1368458337 /nfs/dbraw/zinc/45/83/37/1368458337.db2.gz XSDZQDABJUNXKJ-UHFFFAOYSA-N -1 1 341.319 2.342 20 0 EEADMM O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1cc([O-])cnc1Cl ZINC001195305177 1368515867 /nfs/dbraw/zinc/51/58/67/1368515867.db2.gz BDMGCOMVXZYGTA-UHFFFAOYSA-N -1 1 332.703 2.047 20 0 EEADMM O=c1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc[nH]1 ZINC001195460917 1368535514 /nfs/dbraw/zinc/53/55/14/1368535514.db2.gz LZBABMMJYDUSAG-UHFFFAOYSA-N -1 1 347.165 2.490 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cc(Br)cc(F)c2[O-])C(C)(C)C1 ZINC000867120918 1368559621 /nfs/dbraw/zinc/55/96/21/1368559621.db2.gz HZPRYBDAVZGWIS-UHFFFAOYSA-N -1 1 345.212 2.460 20 0 EEADMM Cc1cc(CO)cc([N-]S(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198153505 1368624738 /nfs/dbraw/zinc/62/47/38/1368624738.db2.gz NTCLGQQILWPWHJ-UHFFFAOYSA-N -1 1 329.381 2.231 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C1CC1 ZINC000867311637 1368681112 /nfs/dbraw/zinc/68/11/12/1368681112.db2.gz SRWQEKPWONCRFQ-VIFPVBQESA-N -1 1 325.217 2.092 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCCc2cccs2)C1 ZINC000864429497 1369600910 /nfs/dbraw/zinc/60/09/10/1369600910.db2.gz ULVHJIORGHSKDD-ZDUSSCGKSA-N -1 1 349.378 2.143 20 0 EEADMM O=C(NCC1(Nc2nc(C3CC3)ns2)CCC1)c1ncccc1[O-] ZINC001111788213 1371253897 /nfs/dbraw/zinc/25/38/97/1371253897.db2.gz GQEBZYJXDJQMKK-UHFFFAOYSA-N -1 1 345.428 2.281 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1N1CCNC1=O ZINC000782494957 1371302406 /nfs/dbraw/zinc/30/24/06/1371302406.db2.gz KDUZDPRQWRJYQA-UHFFFAOYSA-N -1 1 331.397 2.325 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)N(C)C ZINC000798843764 1371616656 /nfs/dbraw/zinc/61/66/56/1371616656.db2.gz QQQRBHOZCFPFLI-ZDUSSCGKSA-N -1 1 346.518 2.437 20 0 EEADMM Cc1nnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1CC1CC1 ZINC000830475537 1372329782 /nfs/dbraw/zinc/32/97/82/1372329782.db2.gz VJDUMKAZZCTYDP-BXKDBHETSA-N -1 1 345.369 2.032 20 0 EEADMM COCCN1CCN(Cc2ccccc2C(=O)[O-])Cc2cccnc21 ZINC001140502458 1372589605 /nfs/dbraw/zinc/58/96/05/1372589605.db2.gz JOFVPNYSRMMOBB-UHFFFAOYSA-N -1 1 341.411 2.248 20 0 EEADMM COc1cc(CNC(=O)c2cccc([O-])c2F)cc(OC)c1OC ZINC001361600953 1373315462 /nfs/dbraw/zinc/31/54/62/1373315462.db2.gz FANKEJJRXYSFPL-UHFFFAOYSA-N -1 1 335.331 2.487 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CC(c3ccccc3C)=NO2)n1 ZINC001361649594 1373322827 /nfs/dbraw/zinc/32/28/27/1373322827.db2.gz KJXYWYSNLCGACU-CQSZACIVSA-N -1 1 342.355 2.027 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc([O-])cn2)c(OC(F)F)c1 ZINC001361793486 1373339234 /nfs/dbraw/zinc/33/92/34/1373339234.db2.gz JGWHJVCQBXAHNM-UHFFFAOYSA-N -1 1 338.266 2.428 20 0 EEADMM O=C(CO)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001362018730 1373361239 /nfs/dbraw/zinc/36/12/39/1373361239.db2.gz YASSFVDRRUTKCN-UHFFFAOYSA-N -1 1 340.788 2.072 20 0 EEADMM CC(C)SCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001363464776 1373522708 /nfs/dbraw/zinc/52/27/08/1373522708.db2.gz WRUUISBVZDTMNB-UWVGGRQHSA-N -1 1 326.384 2.186 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C(C)C)C2(CO)CCCC2)c(=O)[n-]1 ZINC001363467954 1373523359 /nfs/dbraw/zinc/52/33/59/1373523359.db2.gz ZPQNMLQHEDLZDE-GFCCVEGCSA-N -1 1 339.461 2.211 20 0 EEADMM O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cnc(C2CC2)[n-]c1=O ZINC001363522545 1373529163 /nfs/dbraw/zinc/52/91/63/1373529163.db2.gz FQSLILNLUMNZPK-VIFPVBQESA-N -1 1 333.373 2.015 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1OC ZINC001363772463 1373552401 /nfs/dbraw/zinc/55/24/01/1373552401.db2.gz YKQOFMDKTFHKDY-UHFFFAOYSA-N -1 1 343.339 2.107 20 0 EEADMM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1 ZINC001363984419 1373566942 /nfs/dbraw/zinc/56/69/42/1373566942.db2.gz YTZLYSWULLNSFI-NWDGAFQWSA-N -1 1 329.418 2.479 20 0 EEADMM COc1cccnc1C[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001363994462 1373568473 /nfs/dbraw/zinc/56/84/73/1373568473.db2.gz LCWOWTHIANMCHH-UHFFFAOYSA-N -1 1 328.340 2.155 20 0 EEADMM Cc1ncoc1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001364970974 1373640931 /nfs/dbraw/zinc/64/09/31/1373640931.db2.gz RAQFDYRUKQINOI-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccccc2)c(F)c1 ZINC001365129478 1373673359 /nfs/dbraw/zinc/67/33/59/1373673359.db2.gz ONYMLYSJZYCXLG-AWEZNQCLSA-N -1 1 327.352 2.285 20 0 EEADMM CC(C)[C@H](C)C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372741115 1376176009 /nfs/dbraw/zinc/17/60/09/1376176009.db2.gz WGNFBPJGIAVPNC-HSBZDZAISA-N -1 1 333.432 2.237 20 0 EEADMM O=C(CC1CCC1)NCCN(Cc1n[nH]c(=O)[n-]1)C1CCCCCC1 ZINC001375583110 1377864665 /nfs/dbraw/zinc/86/46/65/1377864665.db2.gz CUHIDUUWTUZNGU-UHFFFAOYSA-N -1 1 349.479 2.342 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](C)NCc2cc(Cl)ccc2F)c1[O-] ZINC001390340637 1388587615 /nfs/dbraw/zinc/58/76/15/1388587615.db2.gz MHCIXZMGIIJEJZ-QMMMGPOBSA-N -1 1 340.786 2.124 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1csc(C2CC2)n1 ZINC001378041848 1379663180 /nfs/dbraw/zinc/66/31/80/1379663180.db2.gz ZIDOIDSZLWJXEA-NSHDSACASA-N -1 1 346.456 2.371 20 0 EEADMM CC[C@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001390563784 1388683447 /nfs/dbraw/zinc/68/34/47/1388683447.db2.gz HTDWBJDSQKYXQS-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001380692734 1381341548 /nfs/dbraw/zinc/34/15/48/1381341548.db2.gz RUKFRYBTJZZUSJ-UONOGXRCSA-N -1 1 335.448 2.436 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1(C)CCCCC1 ZINC001383698523 1382646572 /nfs/dbraw/zinc/64/65/72/1382646572.db2.gz FKXMYEAYWFQGTG-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390828428 1388805447 /nfs/dbraw/zinc/80/54/47/1388805447.db2.gz PULCKZVKBPXCKV-LJQANCHMSA-N -1 1 347.459 2.484 20 0 EEADMM CCC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001387480724 1386766918 /nfs/dbraw/zinc/76/69/18/1386766918.db2.gz FECCKMCBHNHADL-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C2CC2)c1 ZINC001392418197 1390021650 /nfs/dbraw/zinc/02/16/50/1390021650.db2.gz KMMAZAQWPYYJBF-GFCCVEGCSA-N -1 1 339.395 2.213 20 0 EEADMM CC(C)c1noc([C@@H](C)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001394059399 1390599171 /nfs/dbraw/zinc/59/91/71/1390599171.db2.gz BLVLVXFPNRRQTE-VXGBXAGGSA-N -1 1 347.419 2.105 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)C2CCCCC2)C1 ZINC001394354177 1390676501 /nfs/dbraw/zinc/67/65/01/1390676501.db2.gz BKCZKFMWCGXCBA-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CCc1[nH]ccc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001396267891 1390931300 /nfs/dbraw/zinc/93/13/00/1390931300.db2.gz YUVZNXMAIBQYIN-NEPJUHHUSA-N -1 1 344.415 2.005 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001397762870 1391470908 /nfs/dbraw/zinc/47/09/08/1391470908.db2.gz FFYYPYJBFNBZAT-LLVKDONJSA-N -1 1 347.802 2.379 20 0 EEADMM CCCC(=O)NCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001426934058 1402257205 /nfs/dbraw/zinc/25/72/05/1402257205.db2.gz GWKVNATYVVHCPS-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CN(C)C(=O)C1CCC2(CC2)CC1)NC(=O)c1ncccc1[O-] ZINC001427630953 1402516260 /nfs/dbraw/zinc/51/62/60/1402516260.db2.gz GAMNESVAKAWXLS-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cccc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)c1 ZINC001427900361 1402553800 /nfs/dbraw/zinc/55/38/00/1402553800.db2.gz WQNVGFMLIMWPBD-HNNXBMFYSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431420625 1403061276 /nfs/dbraw/zinc/06/12/76/1403061276.db2.gz AFCLUISKYPQTHM-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC001433926675 1403445915 /nfs/dbraw/zinc/44/59/15/1403445915.db2.gz OGMXZBRVSQXXLZ-GOSISDBHSA-N -1 1 326.327 2.267 20 0 EEADMM CC1(C)CC(C(=O)N2CC[C@](C)(CNC(=O)c3ncccc3[O-])C2)C1 ZINC001434251908 1403469722 /nfs/dbraw/zinc/46/97/22/1403469722.db2.gz ZPAAJIGKMVCEHK-LJQANCHMSA-N -1 1 345.443 2.192 20 0 EEADMM CCn1ncn([N-]C(=O)c2ccc(-c3cccc(F)c3)s2)c1=O ZINC001569830844 1403508608 /nfs/dbraw/zinc/50/86/08/1403508608.db2.gz MOVIOOXTLFHUJH-UHFFFAOYSA-N -1 1 332.360 2.316 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576573451 1403584739 /nfs/dbraw/zinc/58/47/39/1403584739.db2.gz RHXNBVCGFYLRKZ-MWLCHTKSSA-N -1 1 349.464 2.081 20 0 EEADMM CCCCC(=O)N(CC)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001577396117 1403644254 /nfs/dbraw/zinc/64/42/54/1403644254.db2.gz GZMQIYWUYTYZSD-UHFFFAOYSA-N -1 1 337.453 2.082 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)n2)cnn1C1CCCC1 ZINC001591829283 1403954131 /nfs/dbraw/zinc/95/41/31/1403954131.db2.gz YVVCOGIZFVUJJK-UHFFFAOYSA-N -1 1 338.375 2.134 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)n2)cnn1C1CCCC1 ZINC001591829283 1403954135 /nfs/dbraw/zinc/95/41/35/1403954135.db2.gz YVVCOGIZFVUJJK-UHFFFAOYSA-N -1 1 338.375 2.134 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2nccn2-c2ccccc2)n1 ZINC001591890557 1403969635 /nfs/dbraw/zinc/96/96/35/1403969635.db2.gz BMKPJVWUEWKXKI-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2nccn2-c2ccccc2)n1 ZINC001591890557 1403969642 /nfs/dbraw/zinc/96/96/42/1403969642.db2.gz BMKPJVWUEWKXKI-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001591896371 1403969920 /nfs/dbraw/zinc/96/99/20/1403969920.db2.gz FFBWRNSFBFLKOB-AAEUAGOBSA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001591896371 1403969929 /nfs/dbraw/zinc/96/99/29/1403969929.db2.gz FFBWRNSFBFLKOB-AAEUAGOBSA-N -1 1 331.424 2.218 20 0 EEADMM Cc1nsc(N[C@@H](C)CCNC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482301 1404700560 /nfs/dbraw/zinc/70/05/60/1404700560.db2.gz CHYXUJMRBAAMAU-VIFPVBQESA-N -1 1 347.448 2.049 20 0 EEADMM Cc1nsc(NCc2ccc3c(c2)ncn3C)c1-c1nn[n-]n1 ZINC001592492883 1404701305 /nfs/dbraw/zinc/70/13/05/1404701305.db2.gz BEXCEVHEJUWZPN-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001592500707 1404705150 /nfs/dbraw/zinc/70/51/50/1404705150.db2.gz YZBIWWNYQLNPTB-QWHCGFSZSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001592500707 1404705159 /nfs/dbraw/zinc/70/51/59/1404705159.db2.gz YZBIWWNYQLNPTB-QWHCGFSZSA-N -1 1 345.403 2.047 20 0 EEADMM CN(C)[C@H]1CCOc2c(NC(=O)c3cc(C(=O)[O-])ccn3)cccc21 ZINC001606016410 1404754989 /nfs/dbraw/zinc/75/49/89/1404754989.db2.gz LKRTVGOCAOJWAT-HNNXBMFYSA-N -1 1 341.367 2.417 20 0 EEADMM Cc1nsc(NCCNC(=O)CC2(C)CCCC2)c1-c1nn[n-]n1 ZINC001606161684 1404770600 /nfs/dbraw/zinc/77/06/00/1404770600.db2.gz RBLGRUUJOGMWSP-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(C(=O)[O-])cc1 ZINC001606162551 1404770790 /nfs/dbraw/zinc/77/07/90/1404770790.db2.gz AREMYHGBVQCQPW-UHFFFAOYSA-N -1 1 329.352 2.480 20 0 EEADMM Cc1oc(NC(=O)COC(=O)CC2CCCC2)c(-c2nn[n-]n2)c1C ZINC001606174833 1404772852 /nfs/dbraw/zinc/77/28/52/1404772852.db2.gz METNBTFGSGSVPG-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM FC(F)(F)c1csc(CCNc2cccnc2-c2nnn[n-]2)n1 ZINC001606293479 1404779901 /nfs/dbraw/zinc/77/99/01/1404779901.db2.gz RPEROWMBQQQQQX-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM FC(F)(F)c1csc(CCNc2cccnc2-c2nn[n-]n2)n1 ZINC001606293479 1404779906 /nfs/dbraw/zinc/77/99/06/1404779906.db2.gz RPEROWMBQQQQQX-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM Fc1cccc(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001606327373 1404793461 /nfs/dbraw/zinc/79/34/61/1404793461.db2.gz MVXKBJWXXUUCDP-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1cccc(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001606327373 1404793468 /nfs/dbraw/zinc/79/34/68/1404793468.db2.gz MVXKBJWXXUUCDP-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1cccc(Sc2nnnn2-c2ccccc2)c1-c1nn[n-]n1 ZINC001606332680 1404794835 /nfs/dbraw/zinc/79/48/35/1404794835.db2.gz NTMPYLPUBVTYOD-UHFFFAOYSA-N -1 1 340.347 2.133 20 0 EEADMM Cc1nn(C)c(Cl)c1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC001645793214 1404854479 /nfs/dbraw/zinc/85/44/79/1404854479.db2.gz HNSNFKPIWSZDIY-ZDUSSCGKSA-N -1 1 341.770 2.143 20 0 EEADMM O=S(=O)(CCC(F)(F)F)[N-]c1cnn(CC(F)(F)F)c1 ZINC000172370365 1405740343 /nfs/dbraw/zinc/74/03/43/1405740343.db2.gz FHMXDTSGHLQWBF-UHFFFAOYSA-N -1 1 325.234 2.140 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)C1CC1 ZINC001756312144 1408315426 /nfs/dbraw/zinc/31/54/26/1408315426.db2.gz CGZAWDNKEKUYSX-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H]1C=CCC1 ZINC001756702483 1409221374 /nfs/dbraw/zinc/22/13/74/1409221374.db2.gz COZFMBAYGHRVLM-ZFWWWQNUSA-N -1 1 345.443 2.404 20 0 EEADMM CC/C=C(\C)C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001757043252 1409560515 /nfs/dbraw/zinc/56/05/15/1409560515.db2.gz SFQZZBNLHGUADF-QQMNEEJDSA-N -1 1 343.427 2.301 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001069593499 1411063517 /nfs/dbraw/zinc/06/35/17/1411063517.db2.gz DYLWVQFBWWZBPR-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CNc1ncnc2ccccc21)N(C)C(=O)c1ncccc1[O-] ZINC001104536320 761713275 /nfs/dbraw/zinc/71/32/75/761713275.db2.gz MIWYQWFZOXZTAY-LBPRGKRZSA-N -1 1 337.383 2.303 20 0 EEADMM C[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001060716181 769103707 /nfs/dbraw/zinc/10/37/07/769103707.db2.gz ZVHPFOJXHGPSAT-UMVBOHGHSA-N -1 1 345.443 2.238 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CSCCS1)c1ccc(Cl)nc1F ZINC000692846278 770261476 /nfs/dbraw/zinc/26/14/76/770261476.db2.gz GKBPNLXMLCFDAI-SSDOTTSWSA-N -1 1 342.870 2.001 20 0 EEADMM C[C@H](c1c(F)cccc1F)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628462 770444457 /nfs/dbraw/zinc/44/44/57/770444457.db2.gz MYCQRIUNUHKYAI-LLVKDONJSA-N -1 1 347.365 2.488 20 0 EEADMM CCOC(=O)[C@@H](C[C@@H](C)CC)[N-]S(=O)(=O)CCC(F)(F)F ZINC000921382951 773318716 /nfs/dbraw/zinc/31/87/16/773318716.db2.gz MIWHIVCHYLXMGS-VHSXEESVSA-N -1 1 333.372 2.226 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980344785 774385075 /nfs/dbraw/zinc/38/50/75/774385075.db2.gz YGPOOOFGSMIZIA-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1 ZINC000324820685 774467688 /nfs/dbraw/zinc/46/76/88/774467688.db2.gz XWGSWZHEASSQQI-UHFFFAOYSA-N -1 1 346.408 2.487 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980434753 774635079 /nfs/dbraw/zinc/63/50/79/774635079.db2.gz IRLSFNONDQTRPD-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)c2ccccc21 ZINC000846715956 790455431 /nfs/dbraw/zinc/45/54/31/790455431.db2.gz IEMZSLAVLSLOBY-HIFRSBDPSA-N -1 1 325.368 2.332 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000981202714 776784856 /nfs/dbraw/zinc/78/48/56/776784856.db2.gz MBRWOGCVAWERCG-KCQAQPDRSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1nc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cs1 ZINC000318600448 778217632 /nfs/dbraw/zinc/21/76/32/778217632.db2.gz GVPLCSBOOBUOBQ-UHFFFAOYSA-N -1 1 345.377 2.020 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC(CCNc2ncc(F)cn2)CC1 ZINC001063320102 790696174 /nfs/dbraw/zinc/69/61/74/790696174.db2.gz WSAZVKQMEMGKIG-UHFFFAOYSA-N -1 1 345.378 2.071 20 0 EEADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832908 779379019 /nfs/dbraw/zinc/37/90/19/779379019.db2.gz PTGQJZONBCIPPQ-CABCVRRESA-N -1 1 345.443 2.288 20 0 EEADMM COc1cccc2c1C[C@@H](C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O)CC2 ZINC001143534932 780165412 /nfs/dbraw/zinc/16/54/12/780165412.db2.gz APJQBZZQWJFKRP-VIFPVBQESA-N -1 1 344.327 2.038 20 0 EEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc(NC2CC2)nc1 ZINC000067080068 780551595 /nfs/dbraw/zinc/55/15/95/780551595.db2.gz HCAQBBOGAGKURN-UHFFFAOYSA-N -1 1 344.444 2.217 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nccc(Cl)n2)Cc2ccccc2C1 ZINC001167937356 781010052 /nfs/dbraw/zinc/01/00/52/781010052.db2.gz CAKTWIAFWRIEOK-UHFFFAOYSA-N -1 1 325.692 2.215 20 0 EEADMM O=C(C=C1CCCCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088275489 783324739 /nfs/dbraw/zinc/32/47/39/783324739.db2.gz CGFWODJKCBFGEH-HNNXBMFYSA-N -1 1 347.463 2.262 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)c3ccccc3C)nc2n1 ZINC000906058558 783674390 /nfs/dbraw/zinc/67/43/90/783674390.db2.gz ULJPLLBBQVQHRG-NSHDSACASA-N -1 1 325.372 2.031 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000906877664 784205384 /nfs/dbraw/zinc/20/53/84/784205384.db2.gz YCJVUGUHSHSNDT-JQWIXIFHSA-N -1 1 325.386 2.044 20 0 EEADMM O=C(/C=C\CCc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475408 784644954 /nfs/dbraw/zinc/64/49/54/784644954.db2.gz JSZFPFKSHRVZIC-VYLZPFMQSA-N -1 1 329.429 2.005 20 0 EEADMM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476403 784646109 /nfs/dbraw/zinc/64/61/09/784646109.db2.gz MYJJSAOVRLLXEL-RISCZKNCSA-N -1 1 349.435 2.224 20 0 EEADMM O=C(C1CC(c2ccc(F)cc2)C1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479629 784686965 /nfs/dbraw/zinc/68/69/65/784686965.db2.gz GOFINVLGAQMMGL-YIZWMMSDSA-N -1 1 347.419 2.149 20 0 EEADMM O=C(CC(C1CCC1)C1CCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907482874 784689664 /nfs/dbraw/zinc/68/96/64/784689664.db2.gz SLIFIMOEDRLXIB-CQSZACIVSA-N -1 1 335.477 2.423 20 0 EEADMM CC[C@@H](OC)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492834 784794612 /nfs/dbraw/zinc/79/46/12/784794612.db2.gz NMYSQHVZQXHCJE-WCQYABFASA-N -1 1 344.333 2.048 20 0 EEADMM 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C[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccccc1OCC(=O)[O-] ZINC001593234404 994400882 /nfs/dbraw/zinc/40/08/82/994400882.db2.gz ZMSAGZGCPJZCCS-LRDDRELGSA-N -1 1 340.379 2.364 20 0 EEADMM CNC(=O)c1ccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])cc1 ZINC001598658323 994557735 /nfs/dbraw/zinc/55/77/35/994557735.db2.gz SODCEZQSPLDSMM-CYBMUJFWSA-N -1 1 342.395 2.360 20 0 EEADMM COc1cccc([C@@H](CNC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC001599658627 994620947 /nfs/dbraw/zinc/62/09/47/994620947.db2.gz VNICSFRMLWCDPD-HLLBOEOZSA-N -1 1 346.427 2.059 20 0 EEADMM C[C@H](NCc1ccccc1Cn1cncn1)c1cc(C(=O)[O-])co1 ZINC001593303170 994731313 /nfs/dbraw/zinc/73/13/13/994731313.db2.gz DHVAAITVBKDTAW-LBPRGKRZSA-N -1 1 326.356 2.468 20 0 EEADMM CNc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(Cl)c1 ZINC001598678394 994885639 /nfs/dbraw/zinc/88/56/39/994885639.db2.gz RZHDCUZWCBGBBY-NSHDSACASA-N -1 1 339.823 2.003 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC001593353541 994981184 /nfs/dbraw/zinc/98/11/84/994981184.db2.gz ZKCOSCYNUOCCMW-GUBZILKMSA-N -1 1 343.221 2.078 20 0 EEADMM C[C@H](OC(=O)C(C)(C)N(C)C1CCCC1)C(=O)C(C)(C)C(=O)[O-] ZINC001593486355 995452375 /nfs/dbraw/zinc/45/23/75/995452375.db2.gz ZSBVVVMQSSIXOQ-NSHDSACASA-N -1 1 327.421 2.251 20 0 EEADMM COC(=O)COc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001598868814 996725865 /nfs/dbraw/zinc/72/58/65/996725865.db2.gz UHEIFLAGUBGVSL-LLVKDONJSA-N -1 1 333.340 2.380 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)Nc2ccccc2C)C(=O)[O-])C1 ZINC001599110688 997561428 /nfs/dbraw/zinc/56/14/28/997561428.db2.gz ZRGHXMQTDHYJCI-JJRVBVJISA-N -1 1 334.416 2.182 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](C[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC001594051774 997748237 /nfs/dbraw/zinc/74/82/37/997748237.db2.gz LBNZUBPGIYLRJP-MJVIPROJSA-N -1 1 336.354 2.020 20 0 EEADMM COc1cc(OC)c(CNCc2cc(C(=O)[O-])c(C)n2C)cc1F ZINC001599447942 998039045 /nfs/dbraw/zinc/03/90/45/998039045.db2.gz IYDCKYPZEVIDMB-UHFFFAOYSA-N -1 1 336.363 2.478 20 0 EEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCc3c(cnn3C)C2)c1 ZINC001599450807 998093132 /nfs/dbraw/zinc/09/31/32/998093132.db2.gz KQTLJEOXJORLBD-KRWDZBQOSA-N -1 1 345.399 2.011 20 0 EEADMM COc1ccc(CN2CC[C@@H]2CNc2cc(C(=O)[O-])ccn2)cc1 ZINC001599562212 998220242 /nfs/dbraw/zinc/22/02/42/998220242.db2.gz WRPGCKHYGSMSRX-OAHLLOKOSA-N -1 1 327.384 2.475 20 0 EEADMM COc1cc2c(cc1CN[C@@](C)(CC(=O)[O-])c1ccncc1)OCO2 ZINC001599462889 998304707 /nfs/dbraw/zinc/30/47/07/998304707.db2.gz BBUJMAGTFFKFNK-SFHVURJKSA-N -1 1 344.367 2.299 20 0 EEADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCc1nn(C)cc1Br ZINC001594184218 998714216 /nfs/dbraw/zinc/71/42/16/998714216.db2.gz HMYQWHPBRAZRKY-FXPVBKGRSA-N -1 1 330.226 2.162 20 0 EEADMM COC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001598995690 998778039 /nfs/dbraw/zinc/77/80/39/998778039.db2.gz KWNWDFFRTLGLOV-INIZCTEOSA-N -1 1 345.351 2.103 20 0 EEADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)[C@H](C(N)=O)C1 ZINC001594423748 999583873 /nfs/dbraw/zinc/58/38/73/999583873.db2.gz GIPRHNHYPXADEK-ABAIWWIYSA-N -1 1 327.384 2.019 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001594446848 999640267 /nfs/dbraw/zinc/64/02/67/999640267.db2.gz CTTIWSPFWCKELA-ZLHQLQKESA-N -1 1 331.416 2.179 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001594448565 999644722 /nfs/dbraw/zinc/64/47/22/999644722.db2.gz UCKDMYZJKGJIJV-QGHHPUGFSA-N -1 1 343.383 2.437 20 0 EEADMM COc1cnc(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[n-]c1=O ZINC001553171041 1125582536 /nfs/dbraw/zinc/58/25/36/1125582536.db2.gz JJHJXOSAQZBFSS-ZIAGYGMSSA-N -1 1 327.384 2.391 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnn(C[C@@H]2CCCCO2)c1 ZINC001553237582 1125618757 /nfs/dbraw/zinc/61/87/57/1125618757.db2.gz UFMPHPFSZQDCJC-NSHDSACASA-N -1 1 336.779 2.459 20 0 EEADMM Cc1c[nH]c(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC001445649851 1091439500 /nfs/dbraw/zinc/43/95/00/1091439500.db2.gz OHOYCFZWHYKFPN-UHFFFAOYSA-N -1 1 338.371 2.155 20 0 EEADMM COC(=O)[C@@H]1CN(C(=O)c2cccc([O-])c2F)c2ccccc2O1 ZINC001440925696 1094178691 /nfs/dbraw/zinc/17/86/91/1094178691.db2.gz WRZRKNLMINKRGU-AWEZNQCLSA-N -1 1 331.299 2.112 20 0 EEADMM Cn1ncc(Br)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450897458 1095434555 /nfs/dbraw/zinc/43/45/55/1095434555.db2.gz OSWHBBJXMKHFFI-UHFFFAOYSA-N -1 1 332.104 2.419 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccccc1 ZINC001450897764 1095434635 /nfs/dbraw/zinc/43/46/35/1095434635.db2.gz JVGPTFHOUALHAK-ZFWWWQNUSA-N -1 1 341.411 2.216 20 0 EEADMM Cc1sccc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001442712856 1097081897 /nfs/dbraw/zinc/08/18/97/1097081897.db2.gz FRCKWFJHKHCTCY-JTQLQIEISA-N -1 1 333.413 2.048 20 0 EEADMM Cc1cc(F)cc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])c1 ZINC001442956674 1097376651 /nfs/dbraw/zinc/37/66/51/1097376651.db2.gz CAWANTADRIUJTK-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM Cc1oc(C)c(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])c1C ZINC001495509750 1101222503 /nfs/dbraw/zinc/22/25/03/1101222503.db2.gz DFABPPRMGFBEDF-SNVBAGLBSA-N -1 1 345.399 2.244 20 0 EEADMM O=C(NC[C@@H](NCc1ccccn1)c1ccccc1)c1ncccc1[O-] ZINC001493890872 1103057146 /nfs/dbraw/zinc/05/71/46/1103057146.db2.gz ZLDLYNOCXZVNQE-QGZVFWFLSA-N -1 1 348.406 2.443 20 0 EEADMM CCCC[C@@H](CN[C@@H](C)c1nc(C)no1)NC(=O)c1ncccc1[O-] ZINC001448268744 1104285805 /nfs/dbraw/zinc/28/58/05/1104285805.db2.gz NROCOYRJQZUHPB-AAEUAGOBSA-N -1 1 347.419 2.118 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)nc1C ZINC001452514168 1105532896 /nfs/dbraw/zinc/53/28/96/1105532896.db2.gz FEXRIAGRAAEKDK-RYUDHWBXSA-N -1 1 343.349 2.370 20 0 EEADMM CC[C@H](C)CCC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001453710237 1106414773 /nfs/dbraw/zinc/41/47/73/1106414773.db2.gz LNEQQEFUUAQPDO-AWEZNQCLSA-N -1 1 333.432 2.288 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)c2cccs2)C1 ZINC001453896320 1106564775 /nfs/dbraw/zinc/56/47/75/1106564775.db2.gz IMEPHSDXAHCSGG-KRWDZBQOSA-N -1 1 345.424 2.131 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001454621033 1107446873 /nfs/dbraw/zinc/44/68/73/1107446873.db2.gz LXGPDAMCZKKGNS-LLVKDONJSA-N -1 1 348.447 2.120 20 0 EEADMM Cc1cc(Cl)cc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1 ZINC001455207395 1108304343 /nfs/dbraw/zinc/30/43/43/1108304343.db2.gz FVJKXTHSEFFNHK-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM CC(=O)N1CCCC[C@@H]1CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001457504725 1109635033 /nfs/dbraw/zinc/63/50/33/1109635033.db2.gz KJEYNGXPBVNHBQ-CQSZACIVSA-N -1 1 348.447 2.135 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[nH]1 ZINC001464079538 1110386911 /nfs/dbraw/zinc/38/69/11/1110386911.db2.gz VGVKGYXVBPMMQI-UHFFFAOYSA-N -1 1 326.312 2.149 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ncccc2Br)sn1 ZINC001464819535 1110404231 /nfs/dbraw/zinc/40/42/31/1110404231.db2.gz OFZRKNDJVNSDMW-UHFFFAOYSA-N -1 1 348.247 2.088 20 0 EEADMM CCC(CC)(NC(=O)Cc1cccc(OC(C)C)c1)c1nn[n-]n1 ZINC001467794191 1110463774 /nfs/dbraw/zinc/46/37/74/1110463774.db2.gz QUCAXCHIVRXOAQ-UHFFFAOYSA-N -1 1 331.420 2.361 20 0 EEADMM CSc1nc(CNC(=O)Nc2cc3c(cc2C)OCO3)cc(=O)[n-]1 ZINC001476400925 1110629174 /nfs/dbraw/zinc/62/91/74/1110629174.db2.gz DXOYEUQXLILYKQ-UHFFFAOYSA-N -1 1 348.384 2.263 20 0 EEADMM Cc1cc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)oc1C ZINC001500802617 1113085320 /nfs/dbraw/zinc/08/53/20/1113085320.db2.gz SGDXSANNKOQQJT-ZDUSSCGKSA-N -1 1 345.399 2.181 20 0 EEADMM C[C@@H](CNC(=O)[C@@H](C)CC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001502830116 1113821207 /nfs/dbraw/zinc/82/12/07/1113821207.db2.gz GUKCRSQRYRLUHX-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC001519882838 1119111815 /nfs/dbraw/zinc/11/18/15/1119111815.db2.gz DNRDYQXSXNHZTD-SECBINFHSA-N -1 1 341.392 2.500 20 0 EEADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001528723334 1121142508 /nfs/dbraw/zinc/14/25/08/1121142508.db2.gz NBKYRJRRCPZMJD-SECBINFHSA-N -1 1 330.779 2.273 20 0 EEADMM CCn1ccnc1[C@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC001549444552 1121266267 /nfs/dbraw/zinc/26/62/67/1121266267.db2.gz PBPOFQRKMANLLL-DOMZBBRYSA-N -1 1 333.363 2.255 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1c1ccc(Cl)cc1 ZINC001550371351 1121776679 /nfs/dbraw/zinc/77/66/79/1121776679.db2.gz PVZGMMYCGIFMDN-CABCVRRESA-N -1 1 347.802 2.323 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(F)cc1C)NC(=O)c1ncccc1[O-] ZINC001531346395 1122377257 /nfs/dbraw/zinc/37/72/57/1122377257.db2.gz SMLKISKEUCHOJG-CYBMUJFWSA-N -1 1 345.374 2.173 20 0 EEADMM Cc1cc(F)ccc1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001532199719 1122681480 /nfs/dbraw/zinc/68/14/80/1122681480.db2.gz UGAVYSOMPSEBEK-NSHDSACASA-N -1 1 345.374 2.031 20 0 EEADMM CN(CCC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)C1CCC1 ZINC001532630915 1122854341 /nfs/dbraw/zinc/85/43/41/1122854341.db2.gz VFHOIRVNIBIYBD-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C([O-])[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2F)C[C@H]1C1CC1 ZINC001550935457 1124184475 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CC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000736408535 578201972 /nfs/dbraw/zinc/20/19/72/578201972.db2.gz JYCOISMCRAQAAH-LBPRGKRZSA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000736408535 578201973 /nfs/dbraw/zinc/20/19/73/578201973.db2.gz JYCOISMCRAQAAH-LBPRGKRZSA-N -1 1 336.355 2.080 20 0 EEADMM CCCCOC(=O)[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000736462045 578205703 /nfs/dbraw/zinc/20/57/03/578205703.db2.gz ZHHFLUBHOSUHSN-VIFPVBQESA-N -1 1 336.421 2.097 20 0 EEADMM C[C@H](c1nc(-c2cccnc2)no1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736724105 578220326 /nfs/dbraw/zinc/22/03/26/578220326.db2.gz IVSVETVJRIWJHI-YPMHNXCESA-N -1 1 328.372 2.379 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN(C)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736878071 578227978 /nfs/dbraw/zinc/22/79/78/578227978.db2.gz LDMKBQGGWQQRJV-BLLLJJGKSA-N -1 1 340.851 2.430 20 0 EEADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@](C)(O)C(=O)[O-] ZINC000737069403 578236242 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/nfs/dbraw/zinc/18/70/46/602187046.db2.gz VKXLDOHNDMKEMY-UHFFFAOYSA-N -1 1 338.429 2.420 20 0 EEADMM CN(CCNC(=O)Nc1cc(C(=O)[O-])n(C)c1)Cc1ccc(F)cc1 ZINC000830784969 602362982 /nfs/dbraw/zinc/36/29/82/602362982.db2.gz BPRYZDUFNZWRMP-UHFFFAOYSA-N -1 1 348.378 2.116 20 0 EEADMM CCSc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccn1 ZINC000825674914 607603257 /nfs/dbraw/zinc/60/32/57/607603257.db2.gz UUFZMAIDTPYPTN-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM CCSc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccn1 ZINC000825674914 607603258 /nfs/dbraw/zinc/60/32/58/607603258.db2.gz UUFZMAIDTPYPTN-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCC(C)(C)C(=O)[O-])n2)cc1 ZINC000832907610 604310540 /nfs/dbraw/zinc/31/05/40/604310540.db2.gz DERVKHYDONTZSW-UHFFFAOYSA-N -1 1 348.428 2.099 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])n[nH]2)cc1 ZINC000832906237 604452501 /nfs/dbraw/zinc/45/25/01/604452501.db2.gz VFRPFOIEDUJWRH-INIZCTEOSA-N -1 1 345.399 2.335 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)Nc2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000828448523 604520876 /nfs/dbraw/zinc/52/08/76/604520876.db2.gz CZCKSMIHCTZCQY-PHIMTYICSA-N -1 1 341.433 2.067 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833212357 604670138 /nfs/dbraw/zinc/67/01/38/604670138.db2.gz VLUFWRKJXCYULS-INIZCTEOSA-N -1 1 325.368 2.326 20 0 EEADMM CC(C)[C@@]1(C)CC(=O)N(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833470736 604865094 /nfs/dbraw/zinc/86/50/94/604865094.db2.gz LGJYAJAFFYUETH-FZKQIMNGSA-N -1 1 338.448 2.188 20 0 EEADMM CC(C)[C@]1(C)CC(=O)N(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833470738 604865414 /nfs/dbraw/zinc/86/54/14/604865414.db2.gz LGJYAJAFFYUETH-UGSOOPFHSA-N -1 1 338.448 2.188 20 0 EEADMM Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833760942 604923495 /nfs/dbraw/zinc/92/34/95/604923495.db2.gz VNPROPPGWIVSHU-MRXNPFEDSA-N -1 1 347.390 2.203 20 0 EEADMM CC(C)c1ccc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833509676 605024575 /nfs/dbraw/zinc/02/45/75/605024575.db2.gz AMNPMTIRQDXOSX-INIZCTEOSA-N -1 1 329.400 2.278 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000833624462 605162364 /nfs/dbraw/zinc/16/23/64/605162364.db2.gz VAMXRCXXAKXKGC-LYKUJDHUSA-N -1 1 341.411 2.189 20 0 EEADMM CC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833393306 605259635 /nfs/dbraw/zinc/25/96/35/605259635.db2.gz INJTUUSNWPGIMF-CQSZACIVSA-N -1 1 344.333 2.385 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833451996 605266560 /nfs/dbraw/zinc/26/65/60/605266560.db2.gz VTBULCFHEYFDEB-LBPRGKRZSA-N -1 1 334.420 2.279 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1cccc(F)c1 ZINC000833514534 605278175 /nfs/dbraw/zinc/27/81/75/605278175.db2.gz SQBVYACLOWXFRI-UONOGXRCSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833582981 605507003 /nfs/dbraw/zinc/50/70/03/605507003.db2.gz BCCFKBUWQSPJBT-DTWKUNHWSA-N -1 1 327.331 2.219 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833471518 605554611 /nfs/dbraw/zinc/55/46/11/605554611.db2.gz LVMPUMUHSJBNEK-OAHLLOKOSA-N -1 1 334.420 2.258 20 0 EEADMM Cc1nc(CCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cs1 ZINC000822437281 606128961 /nfs/dbraw/zinc/12/89/61/606128961.db2.gz XRSKMPLDWJPJIA-UHFFFAOYSA-N -1 1 344.400 2.299 20 0 EEADMM COC(=O)c1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821669128 606137851 /nfs/dbraw/zinc/13/78/51/606137851.db2.gz YYARONZERIGFBA-ZETCQYMHSA-N -1 1 348.340 2.226 20 0 EEADMM COC(=O)c1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821669128 606137852 /nfs/dbraw/zinc/13/78/52/606137852.db2.gz YYARONZERIGFBA-ZETCQYMHSA-N -1 1 348.340 2.226 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820861901 606154692 /nfs/dbraw/zinc/15/46/92/606154692.db2.gz OKRXVNOXJQIQBX-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820861901 606154693 /nfs/dbraw/zinc/15/46/93/606154693.db2.gz OKRXVNOXJQIQBX-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820391765 606196624 /nfs/dbraw/zinc/19/66/24/606196624.db2.gz QHIBBYOODHVNLZ-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM CC(=O)c1csc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000819844935 606294030 /nfs/dbraw/zinc/29/40/30/606294030.db2.gz OZAWYURZQARPPD-UHFFFAOYSA-N -1 1 329.341 2.089 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H]2C)c1-c1nn[n-]n1 ZINC000821989449 606437190 /nfs/dbraw/zinc/43/71/90/606437190.db2.gz LJPYJARVHPONLJ-VIFPVBQESA-N -1 1 344.444 2.486 20 0 EEADMM CN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821605190 606496985 /nfs/dbraw/zinc/49/69/85/606496985.db2.gz YWHJDKSQALFORU-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM CN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821605190 606496986 /nfs/dbraw/zinc/49/69/86/606496986.db2.gz YWHJDKSQALFORU-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM O=C(NCCCNc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823191100 606558228 /nfs/dbraw/zinc/55/82/28/606558228.db2.gz ISAYBIIWQLGAPA-UHFFFAOYSA-N -1 1 328.401 2.160 20 0 EEADMM O=C(NCCCNc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823191100 606558231 /nfs/dbraw/zinc/55/82/31/606558231.db2.gz ISAYBIIWQLGAPA-UHFFFAOYSA-N -1 1 328.401 2.160 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H](C)[C@H](C)O)n1 ZINC000822191131 606695822 /nfs/dbraw/zinc/69/58/22/606695822.db2.gz GDWIOMNOJBNSSU-BQBZGAKWSA-N -1 1 333.339 2.450 20 0 EEADMM CCCC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCC1 ZINC000821044165 606835798 /nfs/dbraw/zinc/83/57/98/606835798.db2.gz XPGGXPLNSQBGJP-LBPRGKRZSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCC1 ZINC000821044165 606835800 /nfs/dbraw/zinc/83/58/00/606835800.db2.gz XPGGXPLNSQBGJP-LBPRGKRZSA-N -1 1 332.412 2.081 20 0 EEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821361203 606941358 /nfs/dbraw/zinc/94/13/58/606941358.db2.gz UJWXAUUQZCWUMY-STQMWFEESA-N -1 1 347.444 2.348 20 0 EEADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821361203 606941357 /nfs/dbraw/zinc/94/13/57/606941357.db2.gz UJWXAUUQZCWUMY-STQMWFEESA-N -1 1 347.444 2.348 20 0 EEADMM Clc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1-c1nnn[n-]1 ZINC000826352091 607821924 /nfs/dbraw/zinc/82/19/24/607821924.db2.gz MYTZDEGDWQVPCO-ZEGGKSINSA-N -1 1 332.795 2.285 20 0 EEADMM Clc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)nc1-c1nn[n-]n1 ZINC000826352091 607821925 /nfs/dbraw/zinc/82/19/25/607821925.db2.gz MYTZDEGDWQVPCO-ZEGGKSINSA-N -1 1 332.795 2.285 20 0 EEADMM CN(C)c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC000825879007 607851796 /nfs/dbraw/zinc/85/17/96/607851796.db2.gz FROAVMJGIXLVBO-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC000825879007 607851797 /nfs/dbraw/zinc/85/17/97/607851797.db2.gz FROAVMJGIXLVBO-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM Cc1ccc(NC(=O)CNc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826291129 607898499 /nfs/dbraw/zinc/89/84/99/607898499.db2.gz QNBBPIBJGZGJKO-UHFFFAOYSA-N -1 1 343.778 2.274 20 0 EEADMM Cc1ccc(NC(=O)CNc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826291129 607898500 /nfs/dbraw/zinc/89/85/00/607898500.db2.gz QNBBPIBJGZGJKO-UHFFFAOYSA-N -1 1 343.778 2.274 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826400705 607978932 /nfs/dbraw/zinc/97/89/32/607978932.db2.gz FQWVYIWTPCJGJF-RQOWECAXSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826400705 607978933 /nfs/dbraw/zinc/97/89/33/607978933.db2.gz FQWVYIWTPCJGJF-RQOWECAXSA-N -1 1 342.746 2.067 20 0 EEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)CC(C)C ZINC000826103693 608185647 /nfs/dbraw/zinc/18/56/47/608185647.db2.gz KXEUBKDRKQXSTH-ZETCQYMHSA-N -1 1 344.828 2.224 20 0 EEADMM COC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)CC(C)C ZINC000826103693 608185649 /nfs/dbraw/zinc/18/56/49/608185649.db2.gz KXEUBKDRKQXSTH-ZETCQYMHSA-N -1 1 344.828 2.224 20 0 EEADMM COC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000826152261 608188723 /nfs/dbraw/zinc/18/87/23/608188723.db2.gz ULOSIBOPCLUNBL-ZCFIWIBFSA-N -1 1 326.769 2.369 20 0 EEADMM COC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000826152261 608188724 /nfs/dbraw/zinc/18/87/24/608188724.db2.gz ULOSIBOPCLUNBL-ZCFIWIBFSA-N -1 1 326.769 2.369 20 0 EEADMM CN(CCC(=O)OC(C)(C)C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825914547 608190453 /nfs/dbraw/zinc/19/04/53/608190453.db2.gz JPNKGCDIRJVEIP-UHFFFAOYSA-N -1 1 344.828 2.145 20 0 EEADMM CN(CCC(=O)OC(C)(C)C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825914547 608190454 /nfs/dbraw/zinc/19/04/54/608190454.db2.gz JPNKGCDIRJVEIP-UHFFFAOYSA-N -1 1 344.828 2.145 20 0 EEADMM Fc1cccc(Br)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000826376809 608218588 /nfs/dbraw/zinc/21/85/88/608218588.db2.gz TUCHEZQXHJVWRD-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1cccc(Br)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000826376809 608218591 /nfs/dbraw/zinc/21/85/91/608218591.db2.gz TUCHEZQXHJVWRD-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2COC(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130582 608349233 /nfs/dbraw/zinc/34/92/33/608349233.db2.gz NGATVDVHXNOHPN-QMMMGPOBSA-N -1 1 349.416 2.117 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2COC(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130582 608349235 /nfs/dbraw/zinc/34/92/35/608349235.db2.gz NGATVDVHXNOHPN-QMMMGPOBSA-N -1 1 349.416 2.117 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826191564 608404852 /nfs/dbraw/zinc/40/48/52/608404852.db2.gz JMSFLXNCEUGSCF-LLVKDONJSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826191564 608404854 /nfs/dbraw/zinc/40/48/54/608404854.db2.gz JMSFLXNCEUGSCF-LLVKDONJSA-N -1 1 325.376 2.099 20 0 EEADMM O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826505994 608847671 /nfs/dbraw/zinc/84/76/71/608847671.db2.gz KNCKIPBWOKLJKY-HZMBPMFUSA-N -1 1 347.325 2.046 20 0 EEADMM O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826505994 608847672 /nfs/dbraw/zinc/84/76/72/608847672.db2.gz KNCKIPBWOKLJKY-HZMBPMFUSA-N -1 1 347.325 2.046 20 0 EEADMM CC(C)C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC(C)(C)C ZINC000820108940 609443506 /nfs/dbraw/zinc/44/35/06/609443506.db2.gz VYZCFTDBCJLUPH-GFCCVEGCSA-N -1 1 335.408 2.306 20 0 EEADMM CC(C)C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC(C)(C)C ZINC000820108940 609443508 /nfs/dbraw/zinc/44/35/08/609443508.db2.gz VYZCFTDBCJLUPH-GFCCVEGCSA-N -1 1 335.408 2.306 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1cc(F)ccc1F)c1ncccc1[O-] ZINC001038195467 676100674 /nfs/dbraw/zinc/10/06/74/676100674.db2.gz ULMTZDPZETVCSI-ZDUSSCGKSA-N -1 1 333.338 2.070 20 0 EEADMM Cc1ccc(F)c(CN2CC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001038195992 676110328 /nfs/dbraw/zinc/11/03/28/676110328.db2.gz ZTFCOJAJROBDFQ-CQSZACIVSA-N -1 1 329.375 2.239 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@@H](O)[C@@H](F)C3)c2)o1 ZINC000890680398 675319137 /nfs/dbraw/zinc/31/91/37/675319137.db2.gz YAFMSXHZYFZMIK-DZGCQCFKSA-N -1 1 333.315 2.010 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)cn1 ZINC000947229533 677812309 /nfs/dbraw/zinc/81/23/09/677812309.db2.gz CEFWWDNCYPAORZ-TZMCWYRMSA-N -1 1 344.390 2.104 20 0 EEADMM CCN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000162143235 679415187 /nfs/dbraw/zinc/41/51/87/679415187.db2.gz TULFNWNFVMNPJG-NSHDSACASA-N -1 1 347.824 2.011 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCC1(C)C ZINC000984799479 685274586 /nfs/dbraw/zinc/27/45/86/685274586.db2.gz JGNBKWZRGUNQOH-HZSPNIEDSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])[C@]12C[C@H]1CCC2 ZINC000937362781 681346765 /nfs/dbraw/zinc/34/67/65/681346765.db2.gz MSDBVKRLEQTZHK-BIENJYKASA-N -1 1 343.427 2.088 20 0 EEADMM CC1(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCCCC1 ZINC001024986309 681675477 /nfs/dbraw/zinc/67/54/77/681675477.db2.gz LMOIXTIDXTUFBO-CQSZACIVSA-N -1 1 349.479 2.342 20 0 EEADMM COCc1nc(N[C@H]2CCCN(c3cccc(OC)c3)C2)cc(=O)[n-]1 ZINC000892579160 681843769 /nfs/dbraw/zinc/84/37/69/681843769.db2.gz LOWPOYOEOVNQRD-ZDUSSCGKSA-N -1 1 344.415 2.418 20 0 EEADMM CC(C)=CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983549144 682839509 /nfs/dbraw/zinc/83/95/09/682839509.db2.gz HADQKOAXHGFZMD-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973687185 682909255 /nfs/dbraw/zinc/90/92/55/682909255.db2.gz AFRMKTSKKPSJFD-HUUCEWRRSA-N -1 1 345.443 2.286 20 0 EEADMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000894967381 683436867 /nfs/dbraw/zinc/43/68/67/683436867.db2.gz ONPZATGFJUVDKE-AAEUAGOBSA-N -1 1 341.791 2.276 20 0 EEADMM CCC(CC)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC000992815566 683517061 /nfs/dbraw/zinc/51/70/61/683517061.db2.gz ZPZYEJDQWYWZEO-KUHUBIRLSA-N -1 1 345.443 2.144 20 0 EEADMM [O-]c1cc(Br)cnc1CN[C@@H]1c2ccccc2C[C@H]1O ZINC000893126623 683819091 /nfs/dbraw/zinc/81/90/91/683819091.db2.gz AUJRZCNMLGSPJX-HUUCEWRRSA-N -1 1 335.201 2.298 20 0 EEADMM C[C@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)Sc1ccccc1 ZINC000866885175 683821673 /nfs/dbraw/zinc/82/16/73/683821673.db2.gz DQFKQAORIIPTTJ-GFCCVEGCSA-N -1 1 348.515 2.263 20 0 EEADMM CC/C=C(/C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059269343 683840732 /nfs/dbraw/zinc/84/07/32/683840732.db2.gz KLSLICQCXZXXQX-UUSOHVMFSA-N -1 1 331.416 2.112 20 0 EEADMM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2sc(N)nc2[O-])cc1 ZINC000153274637 683922396 /nfs/dbraw/zinc/92/23/96/683922396.db2.gz MIJVXSWAZNXRMG-FZMZJTMJSA-N -1 1 333.457 2.204 20 0 EEADMM O=S(=O)([N-][C@H](CO)CC(F)F)c1cnc(-c2ccccc2)s1 ZINC000914984006 684023122 /nfs/dbraw/zinc/02/31/22/684023122.db2.gz OTPIJMLOSYTKCG-JTQLQIEISA-N -1 1 348.396 2.105 20 0 EEADMM CN(C(=O)C1(C)CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984124788 684128635 /nfs/dbraw/zinc/12/86/35/684128635.db2.gz ZIBJGZJZOJMANA-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978754581 693859912 /nfs/dbraw/zinc/85/99/12/693859912.db2.gz QJZZUKDUNCJKOB-LJISPDSOSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@]1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909563632 685799998 /nfs/dbraw/zinc/79/99/98/685799998.db2.gz VCVUINFNWCDIRV-UZLBHIALSA-N -1 1 344.455 2.193 20 0 EEADMM C[C@](O)(CNC(=O)c1ccc2ccc(O)cc2c1[O-])C(F)(F)F ZINC000897251012 686322813 /nfs/dbraw/zinc/32/28/13/686322813.db2.gz UKBXDEWLQXZHMT-AWEZNQCLSA-N -1 1 329.274 2.294 20 0 EEADMM C[C@@]1(C(=O)N2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)C=CCC1 ZINC000975250470 686356239 /nfs/dbraw/zinc/35/62/39/686356239.db2.gz FCEBICGLWKDBMF-AUUYWEPGSA-N -1 1 343.427 2.112 20 0 EEADMM O=C([N-][C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)C1)C(F)F ZINC000937585570 686956896 /nfs/dbraw/zinc/95/68/96/686956896.db2.gz DHRZTGIHBWRGSY-LURJTMIESA-N -1 1 338.688 2.214 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000985779296 687677934 /nfs/dbraw/zinc/67/79/34/687677934.db2.gz XJODGMDDCIEJNQ-UHFFFAOYSA-N -1 1 349.479 2.294 20 0 EEADMM Cc1csc(CN(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001027380871 687813160 /nfs/dbraw/zinc/81/31/60/687813160.db2.gz NHVHDACAOAVMMK-ZDUSSCGKSA-N -1 1 346.456 2.289 20 0 EEADMM COCc1nc(NC[C@](C)(Cc2ccccc2)[C@H](C)O)cc(=O)[n-]1 ZINC000893461798 688162289 /nfs/dbraw/zinc/16/22/89/688162289.db2.gz SSIVGCCEQNQJIW-UGSOOPFHSA-N -1 1 331.416 2.370 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)C=C2CCCCC2)CC1 ZINC001029943118 688647361 /nfs/dbraw/zinc/64/73/61/688647361.db2.gz UYGYNHGCCBDNAN-UHFFFAOYSA-N -1 1 347.463 2.071 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)C2CCCC2)CC1 ZINC000986728545 688861284 /nfs/dbraw/zinc/86/12/84/688861284.db2.gz ICOFSVGWYILHEA-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000986839943 688996273 /nfs/dbraw/zinc/99/62/73/688996273.db2.gz DEENBJNYTYZPJT-GXTWGEPZSA-N -1 1 345.443 2.190 20 0 EEADMM CCC1(C(=O)N2CCC([C@H](C)NC(=O)c3ncccc3[O-])CC2)CC1 ZINC000987001429 689206044 /nfs/dbraw/zinc/20/60/44/689206044.db2.gz ZIZRUDMWKYSOGI-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)c1ccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)s1 ZINC000987587871 689861185 /nfs/dbraw/zinc/86/11/85/689861185.db2.gz CQFWUXNALWVYRS-QWRGUYRKSA-N -1 1 349.460 2.088 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1(C)CCCC1 ZINC000987683957 689927461 /nfs/dbraw/zinc/92/74/61/689927461.db2.gz KKCQFVQDTQMHTE-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ccsc2)C1)C(=O)c1ncccc1[O-] ZINC000987728898 689979827 /nfs/dbraw/zinc/97/98/27/689979827.db2.gz IQRFDDWUIAHWKQ-LBPRGKRZSA-N -1 1 345.424 2.083 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)CC(C)(C)C)C1)C(=O)c1ncccc1[O-] ZINC000987748238 690013500 /nfs/dbraw/zinc/01/35/00/690013500.db2.gz QDNNNVMQHRDPCR-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM Cn1nc(CN[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1C(F)(F)F ZINC000904267905 694340278 /nfs/dbraw/zinc/34/02/78/694340278.db2.gz KFEQGNONLWGWEN-UWVGGRQHSA-N -1 1 332.326 2.107 20 0 EEADMM CCc1nc(CN[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)cs1 ZINC000988688489 691019775 /nfs/dbraw/zinc/01/97/75/691019775.db2.gz DAANOAPWIHIWMF-RYUDHWBXSA-N -1 1 346.456 2.199 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000937864837 691033132 /nfs/dbraw/zinc/03/31/32/691033132.db2.gz ZQBNLBHGEDWJDF-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)C2(C3CC3)CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000989080747 691409038 /nfs/dbraw/zinc/40/90/38/691409038.db2.gz XAJSLPAUSIKIQO-OCCSQVGLSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000989924009 692473569 /nfs/dbraw/zinc/47/35/69/692473569.db2.gz ADNCDMIJKNMEAL-OLZOCXBDSA-N -1 1 349.406 2.179 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000936532064 692614098 /nfs/dbraw/zinc/61/40/98/692614098.db2.gz MFBZDJBXATZUJS-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CC1CC(C(=O)N2CCCC[C@H]2CN(C)C(=O)c2ncccc2[O-])C1 ZINC000990514784 692990302 /nfs/dbraw/zinc/99/03/02/692990302.db2.gz BBMNBEUNOZKGLS-NRXISQOPSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CN1CCCC1 ZINC000909379592 692994651 /nfs/dbraw/zinc/99/46/51/692994651.db2.gz NCFKPOQSWYNYHT-ZDUSSCGKSA-N -1 1 345.226 2.201 20 0 EEADMM CC1(C)C[C@H](NC(=O)CC2CC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC000990652702 693150410 /nfs/dbraw/zinc/15/04/10/693150410.db2.gz BPRHZGNNRWZQJG-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])cc1 ZINC000978362351 693528668 /nfs/dbraw/zinc/52/86/68/693528668.db2.gz DGOVBCINRYLRQI-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000943205041 1192114419 /nfs/dbraw/zinc/11/44/19/1192114419.db2.gz APEGQLNVUXZRFF-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000943205764 1192114991 /nfs/dbraw/zinc/11/49/91/1192114991.db2.gz GCZUEAMJVDDKSA-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])c1sccc1F ZINC000943976262 1192733375 /nfs/dbraw/zinc/73/33/75/1192733375.db2.gz JCIHSQPFUAOKQR-SNVBAGLBSA-N -1 1 349.387 2.022 20 0 EEADMM CN(C)c1ncn(-c2cccc(NC(=O)c3cccc([O-])c3F)c2)n1 ZINC001625832769 1176419153 /nfs/dbraw/zinc/41/91/53/1176419153.db2.gz RVRDJYWIEQQSRX-UHFFFAOYSA-N -1 1 341.346 2.430 20 0 EEADMM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001270120570 1184864755 /nfs/dbraw/zinc/86/47/55/1184864755.db2.gz NVAPNSNADPCILV-DZGCQCFKSA-N -1 1 346.818 2.115 20 0 EEADMM CC1(C)CC(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CCCCC2)C1 ZINC001482408263 1185635961 /nfs/dbraw/zinc/63/59/61/1185635961.db2.gz YNADFQVMSRVGCP-CQSZACIVSA-N -1 1 349.479 2.101 20 0 EEADMM CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(F)c(=O)[n-]1 ZINC001271740991 1186452448 /nfs/dbraw/zinc/45/24/48/1186452448.db2.gz SPSCAXJFCRXNJD-HUUCEWRRSA-N -1 1 347.390 2.098 20 0 EEADMM CCc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)cs1 ZINC001088537373 1187185783 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1209209907 /nfs/dbraw/zinc/20/99/07/1209209907.db2.gz VXYFWMMQEBULLI-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)c(C)o1 ZINC001012273058 1225132523 /nfs/dbraw/zinc/13/25/23/1225132523.db2.gz KKRVXUDSSGVYOU-GXFFZTMASA-N -1 1 343.383 2.030 20 0 EEADMM Cc1cccc(C)c1C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000949538918 1209733167 /nfs/dbraw/zinc/73/31/67/1209733167.db2.gz UDJQFWKOBVJRND-AWEZNQCLSA-N -1 1 339.395 2.049 20 0 EEADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC000950249719 1210114517 /nfs/dbraw/zinc/11/45/17/1210114517.db2.gz AKQMICGMVXAJPD-MELADBBJSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(CC1CCCCC1)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000950539803 1210266544 /nfs/dbraw/zinc/26/65/44/1210266544.db2.gz XXVXAVKHMCMPAD-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1coc(C)c1C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000950661436 1210332221 /nfs/dbraw/zinc/33/22/21/1210332221.db2.gz PUNBMFOKIONMES-ZDUSSCGKSA-N -1 1 343.383 2.032 20 0 EEADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])C1 ZINC000950684846 1210350223 /nfs/dbraw/zinc/35/02/23/1210350223.db2.gz VFLHAOBDDAOGCU-JXQTWKCFSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1sc(N)nc1[O-] ZINC000079765530 1210698186 /nfs/dbraw/zinc/69/81/86/1210698186.db2.gz KKPXFSQPCBMYPX-AAEUAGOBSA-N -1 1 333.457 2.206 20 0 EEADMM Cc1ccc(CN(C(=O)Cc2sc(N)nc2[O-])C2CC2)cc1C ZINC000080428363 1210909325 /nfs/dbraw/zinc/90/93/25/1210909325.db2.gz FAQPIEJXJMGUJH-CQSZACIVSA-N -1 1 331.441 2.141 20 0 EEADMM CCC1(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000951674166 1210959240 /nfs/dbraw/zinc/95/92/40/1210959240.db2.gz FCIGEGYOHUDVSB-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])CC1 ZINC000952529709 1211471837 /nfs/dbraw/zinc/47/18/37/1211471837.db2.gz JZVLPNBOXPTEPN-KGLIPLIRSA-N -1 1 343.427 2.183 20 0 EEADMM CCCC(=O)N1CCC([C@@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC000953207121 1211704203 /nfs/dbraw/zinc/70/42/03/1211704203.db2.gz NAHDSGQWMLUEGO-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)CC1CC1 ZINC000953520713 1211856500 /nfs/dbraw/zinc/85/65/00/1211856500.db2.gz YTIMIJXMMSLNEX-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CN(CCCN(C)C(=O)c1ncccc1[O-])C(=O)/C=C\C(C)(C)C ZINC001067013365 1225321340 /nfs/dbraw/zinc/32/13/40/1225321340.db2.gz IMKJFRPKTRMMPP-KTKRTIGZSA-N -1 1 333.432 2.310 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCN(C(=O)C2CCCC2)CC1 ZINC000953888265 1212189964 /nfs/dbraw/zinc/18/99/64/1212189964.db2.gz MSIQXHIKLXXOEW-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccc(F)c(NS(=O)(=O)c2cn(C)c(Cl)n2)c1C(=O)[O-] ZINC000090164053 1212294109 /nfs/dbraw/zinc/29/41/09/1212294109.db2.gz BHIYSLDWQWQVSW-UHFFFAOYSA-N -1 1 347.755 2.020 20 0 EEADMM C=Cc1ccc(C(=O)N2CC(N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC000954128208 1212477854 /nfs/dbraw/zinc/47/78/54/1212477854.db2.gz XFOBYNZJPHLFHU-UHFFFAOYSA-N -1 1 337.379 2.027 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)s1 ZINC001012506203 1225391975 /nfs/dbraw/zinc/39/19/75/1225391975.db2.gz NHBMOWBOSJIRJF-JQWIXIFHSA-N -1 1 345.424 2.190 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CN1C(=O)c1ncccc1[O-] ZINC001012509192 1225394904 /nfs/dbraw/zinc/39/49/04/1225394904.db2.gz HFPBNRLSXMYYAN-RYUDHWBXSA-N -1 1 345.443 2.189 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C(C)(C)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC000955646731 1213233694 /nfs/dbraw/zinc/23/36/94/1213233694.db2.gz WYTAVDJKXJFWLP-JSGCOSHPSA-N -1 1 345.443 2.333 20 0 EEADMM Cc1occc1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000955650110 1213236067 /nfs/dbraw/zinc/23/60/67/1213236067.db2.gz LGFXNVVDMGGYGD-WCQYABFASA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccc(C(=O)NC2(C)CCN(C(=O)c3ncccc3[O-])CC2)o1 ZINC000956277802 1213667286 /nfs/dbraw/zinc/66/72/86/1213667286.db2.gz OJCGYERNOUOWOS-UHFFFAOYSA-N -1 1 343.383 2.113 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000956347586 1213735672 /nfs/dbraw/zinc/73/56/72/1213735672.db2.gz NQRPJUPLJYLGME-CYBMUJFWSA-N -1 1 343.427 2.088 20 0 EEADMM CC1(NC(=O)[C@@H]2CC23CCC3)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956372335 1213757855 /nfs/dbraw/zinc/75/78/55/1213757855.db2.gz MERUYPHDUPJODK-ZDUSSCGKSA-N -1 1 343.427 2.088 20 0 EEADMM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1ccc(C(=O)OC)[n-]1)C(C)C ZINC000796343211 1213853981 /nfs/dbraw/zinc/85/39/81/1213853981.db2.gz DGTFIYGCOXWNOF-ZDUSSCGKSA-N -1 1 338.404 2.288 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)[n-]1 ZINC000796346869 1213855673 /nfs/dbraw/zinc/85/56/73/1213855673.db2.gz VWMADIKBJXPLAV-UHFFFAOYSA-N -1 1 330.340 2.214 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC000959195781 1214323951 /nfs/dbraw/zinc/32/39/51/1214323951.db2.gz JJWCIPCYRCFOMT-STQMWFEESA-N -1 1 349.406 2.036 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000956806972 1214461163 /nfs/dbraw/zinc/46/11/63/1214461163.db2.gz ODSSYOGVJFDLJQ-GOSISDBHSA-N -1 1 343.383 2.032 20 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ZINC000965920293 1219359930 /nfs/dbraw/zinc/35/99/30/1219359930.db2.gz LSABEPIQPSHGCQ-KSMMKXTCSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1nc(CN2CC[C@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)oc1C ZINC000965941491 1219382129 /nfs/dbraw/zinc/38/21/29/1219382129.db2.gz REBLKLDJTZRIIH-SMDDNHRTSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1nc(CN2CC[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC000965941520 1219383441 /nfs/dbraw/zinc/38/34/41/1219383441.db2.gz RPZBLUCAVXLHJW-BXUZGUMPSA-N -1 1 346.456 2.193 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CC1CC(C)(C)C1 ZINC000966331648 1219682668 /nfs/dbraw/zinc/68/26/68/1219682668.db2.gz QXFZNOOTNBPQDX-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)c1cscc1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000967864397 1220873168 /nfs/dbraw/zinc/87/31/68/1220873168.db2.gz HQLLFLTWVUZYQA-UHFFFAOYSA-N -1 1 345.424 2.144 20 0 EEADMM CCc1cc(C)nc(NCCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001114906634 1221056283 /nfs/dbraw/zinc/05/62/83/1221056283.db2.gz HGWGXTASUJFTQQ-GFCCVEGCSA-N 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ZINC001039734410 1230774009 /nfs/dbraw/zinc/77/40/09/1230774009.db2.gz YVHPYVSWCCMZHE-NWDGAFQWSA-N -1 1 330.363 2.109 20 0 EEADMM Cc1cc(N(C)C[C@H]2CCCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001039963363 1230934470 /nfs/dbraw/zinc/93/44/70/1230934470.db2.gz PNHAFXNXYUBGEL-CQSZACIVSA-N -1 1 341.415 2.017 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(Cc2cc(C(C)(C)C)on2)C1 ZINC001042643441 1232128115 /nfs/dbraw/zinc/12/81/15/1232128115.db2.gz DHNLGBVUKLIGHQ-UHFFFAOYSA-N -1 1 344.415 2.029 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CCCc2cccc(F)c2)C1 ZINC001042645932 1232128357 /nfs/dbraw/zinc/12/83/57/1232128357.db2.gz IALIYYCIGHXDKF-UHFFFAOYSA-N -1 1 343.402 2.315 20 0 EEADMM CCCS(=O)(=O)[N-]c1cccc2c(Br)nn(C)c21 ZINC001253698326 1232585886 /nfs/dbraw/zinc/58/58/86/1232585886.db2.gz KCVJPXJICHGSOL-UHFFFAOYSA-N -1 1 332.223 2.488 20 0 EEADMM CS(=O)(=O)[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000800622870 1234371211 /nfs/dbraw/zinc/37/12/11/1234371211.db2.gz VIPDNKJJUYCWBZ-SNVBAGLBSA-N -1 1 331.821 2.085 20 0 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0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609311474 1351928891 /nfs/dbraw/zinc/92/88/91/1351928891.db2.gz VPWPMLRHFRKXTC-IINYFYTJSA-N -1 1 343.366 2.292 20 0 EEADMM COCC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001609321938 1351933193 /nfs/dbraw/zinc/93/31/93/1351933193.db2.gz WHJLYMJUWMUHMV-HNNXBMFYSA-N -1 1 339.355 2.196 20 0 EEADMM COCC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001609321938 1351933196 /nfs/dbraw/zinc/93/31/96/1351933196.db2.gz WHJLYMJUWMUHMV-HNNXBMFYSA-N -1 1 339.355 2.196 20 0 EEADMM COC(C)(C)CC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001329477289 1334658587 /nfs/dbraw/zinc/65/85/87/1334658587.db2.gz NLCLPNOCOXNSRM-UHFFFAOYSA-N -1 1 327.233 2.482 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccc(OC(C)C)cc2)n1 ZINC001609392495 1351957861 /nfs/dbraw/zinc/95/78/61/1351957861.db2.gz RYDBNJUTOGQKMY-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccc(OC(C)C)cc2)n1 ZINC001609392495 1351957863 /nfs/dbraw/zinc/95/78/63/1351957863.db2.gz RYDBNJUTOGQKMY-UHFFFAOYSA-N -1 1 339.403 2.407 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2cnn(-c3ccccc3F)c2)n1 ZINC001609393099 1351958079 /nfs/dbraw/zinc/95/80/79/1351958079.db2.gz ZCSRUWYIGABCMJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2cnn(-c3ccccc3F)c2)n1 ZINC001609393099 1351958082 /nfs/dbraw/zinc/95/80/82/1351958082.db2.gz ZCSRUWYIGABCMJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1ccn(CN2CCCC[C@H]2CC(C)C)c(=O)c1-c1nnn[n-]1 ZINC001609438044 1351976941 /nfs/dbraw/zinc/97/69/41/1351976941.db2.gz NNOQJVZNXFCEQR-AWEZNQCLSA-N -1 1 330.436 2.195 20 0 EEADMM Cc1cnc(CCN(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001609441220 1351978282 /nfs/dbraw/zinc/97/82/82/1351978282.db2.gz TWJCQAWFDJCWJG-UHFFFAOYSA-N -1 1 346.391 2.085 20 0 EEADMM Cc1cnc(CCN(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001609441220 1351978285 /nfs/dbraw/zinc/97/82/85/1351978285.db2.gz TWJCQAWFDJCWJG-UHFFFAOYSA-N -1 1 346.391 2.085 20 0 EEADMM Clc1cccc(C2(CNc3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC001609473731 1351990769 /nfs/dbraw/zinc/99/07/69/1351990769.db2.gz GRGVRNRACHLAMO-UHFFFAOYSA-N -1 1 326.791 2.481 20 0 EEADMM Clc1cccc(C2(CNc3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC001609473731 1351990771 /nfs/dbraw/zinc/99/07/71/1351990771.db2.gz GRGVRNRACHLAMO-UHFFFAOYSA-N -1 1 326.791 2.481 20 0 EEADMM Cn1nc(C2CCCC2)cc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001609481619 1351993440 /nfs/dbraw/zinc/99/34/40/1351993440.db2.gz FXZSOZSBDODEFP-UHFFFAOYSA-N -1 1 330.421 2.326 20 0 EEADMM Cn1nc(C2CCCC2)cc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001609481619 1351993443 /nfs/dbraw/zinc/99/34/43/1351993443.db2.gz FXZSOZSBDODEFP-UHFFFAOYSA-N -1 1 330.421 2.326 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609491406 1351997244 /nfs/dbraw/zinc/99/72/44/1351997244.db2.gz DUZWKQDFTQNAGO-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609491406 1351997245 /nfs/dbraw/zinc/99/72/45/1351997245.db2.gz DUZWKQDFTQNAGO-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Cc1nn(-c2ccccn2)c(Cl)c1CNCCSCC(=O)[O-] ZINC001332014887 1335705758 /nfs/dbraw/zinc/70/57/58/1335705758.db2.gz XWAYVRKOHIFFQT-UHFFFAOYSA-N -1 1 340.836 2.137 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(C(F)(F)F)CCCC1 ZINC001609578713 1352024774 /nfs/dbraw/zinc/02/47/74/1352024774.db2.gz YLICURCWXHKPRL-UHFFFAOYSA-N -1 1 347.322 2.489 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(C(F)(F)F)CCCC1 ZINC001609578713 1352024777 /nfs/dbraw/zinc/02/47/77/1352024777.db2.gz YLICURCWXHKPRL-UHFFFAOYSA-N -1 1 347.322 2.489 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(CC(F)(F)F)C1 ZINC001609583170 1352026339 /nfs/dbraw/zinc/02/63/39/1352026339.db2.gz SZFKDGWFBJENAE-UHFFFAOYSA-N -1 1 329.257 2.030 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(CC(F)(F)F)C1 ZINC001609583170 1352026343 /nfs/dbraw/zinc/02/63/43/1352026343.db2.gz SZFKDGWFBJENAE-UHFFFAOYSA-N -1 1 329.257 2.030 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCSC[C@@H]1C1CCC1 ZINC001609585633 1352028384 /nfs/dbraw/zinc/02/83/84/1352028384.db2.gz ZMLRWHQTXFZOHR-LLVKDONJSA-N -1 1 335.458 2.286 20 0 EEADMM c1ccc2cc(OCCOc3cnc(-c4nn[n-]n4)nc3)ccc2c1 ZINC001609618945 1352042037 /nfs/dbraw/zinc/04/20/37/1352042037.db2.gz ZDDVZQGSMHRAKH-UHFFFAOYSA-N -1 1 334.339 2.268 20 0 EEADMM CC(C)(CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC001609677954 1352056632 /nfs/dbraw/zinc/05/66/32/1352056632.db2.gz LFUPECTUVDKIFQ-UHFFFAOYSA-N -1 1 341.307 2.264 20 0 EEADMM CC(C)OC(=O)Cc1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC001609709013 1352064000 /nfs/dbraw/zinc/06/40/00/1352064000.db2.gz PVUQKOILYZKZFX-INIZCTEOSA-N -1 1 340.445 2.324 20 0 EEADMM C[C@@H](CN(CC(=O)NCc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC001609741826 1352074081 /nfs/dbraw/zinc/07/40/81/1352074081.db2.gz QWTDFKGUSAMJTO-AWEZNQCLSA-N -1 1 330.384 2.119 20 0 EEADMM CC1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCOCC1 ZINC001337169664 1336656264 /nfs/dbraw/zinc/65/62/64/1336656264.db2.gz MGLSSMOTRGPJJE-UHFFFAOYSA-N -1 1 325.217 2.236 20 0 EEADMM CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])C(C)C ZINC001609990847 1352136205 /nfs/dbraw/zinc/13/62/05/1352136205.db2.gz WELVALSLGDUUCG-GUYCJALGSA-N -1 1 336.432 2.304 20 0 EEADMM CCOC(=O)c1c(C)[nH]nc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001610020618 1352142621 /nfs/dbraw/zinc/14/26/21/1352142621.db2.gz BPARITPUPUSHPA-UHFFFAOYSA-N -1 1 335.360 2.126 20 0 EEADMM COC(=O)c1oc([C@H](C)N2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC001610220135 1352189284 /nfs/dbraw/zinc/18/92/84/1352189284.db2.gz CANJIUPIDLUGFX-QWRGUYRKSA-N -1 1 327.402 2.328 20 0 EEADMM C[C@@H](Cc1c[nH]cn1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000847880024 1338353608 /nfs/dbraw/zinc/35/36/08/1338353608.db2.gz BSKOGADUMAZBQY-ZETCQYMHSA-N -1 1 325.166 2.090 20 0 EEADMM Cc1ccc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC001610483853 1352230359 /nfs/dbraw/zinc/23/03/59/1352230359.db2.gz JMMRRAXZEUHDRE-SNVBAGLBSA-N -1 1 345.226 2.390 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cnc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC001610474541 1352228647 /nfs/dbraw/zinc/22/86/47/1352228647.db2.gz MWJGDQTVMSQNQW-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM CCC[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001430607701 1340268931 /nfs/dbraw/zinc/26/89/31/1340268931.db2.gz XSMYYCIJNHWLIP-ZIAGYGMSSA-N -1 1 335.448 2.484 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1c(C)oc(C)c1C ZINC001431610881 1340650276 /nfs/dbraw/zinc/65/02/76/1340650276.db2.gz QDPGUAWWBQGKDG-UHFFFAOYSA-N -1 1 345.399 2.198 20 0 EEADMM C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574554633 1343683506 /nfs/dbraw/zinc/68/35/06/1343683506.db2.gz VIDLDYPPGKHJHP-ZCFIWIBFSA-N -1 1 334.327 2.068 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H](O)c1ccccc1F ZINC001576999091 1344081425 /nfs/dbraw/zinc/08/14/25/1344081425.db2.gz MUUVPKKIUDVGTM-WFASDCNBSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H](O)c1ccccc1F ZINC001576999091 1344081429 /nfs/dbraw/zinc/08/14/29/1344081429.db2.gz MUUVPKKIUDVGTM-WFASDCNBSA-N -1 1 343.366 2.028 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC001577815295 1344200562 /nfs/dbraw/zinc/20/05/62/1344200562.db2.gz WXWIAVHTFWGMHF-UHFFFAOYSA-N -1 1 330.392 2.071 20 0 EEADMM CCOc1ncc(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001578410326 1344275430 /nfs/dbraw/zinc/27/54/30/1344275430.db2.gz QREUVMQNSMWKFO-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM CCOc1ncc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001578410326 1344275432 /nfs/dbraw/zinc/27/54/32/1344275432.db2.gz QREUVMQNSMWKFO-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COC(=O)c1ccccc1CSc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001579488042 1344389438 /nfs/dbraw/zinc/38/94/38/1344389438.db2.gz USDAVBRWOCKSDJ-UHFFFAOYSA-N -1 1 342.384 2.044 20 0 EEADMM COC(=O)c1ccccc1CSc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001579488042 1344389439 /nfs/dbraw/zinc/38/94/39/1344389439.db2.gz USDAVBRWOCKSDJ-UHFFFAOYSA-N -1 1 342.384 2.044 20 0 EEADMM COC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCCCCC1 ZINC001579596090 1344398426 /nfs/dbraw/zinc/39/84/26/1344398426.db2.gz NODNJEYTGRFFAK-UHFFFAOYSA-N -1 1 335.433 2.284 20 0 EEADMM COc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC001579935032 1344436026 /nfs/dbraw/zinc/43/60/26/1344436026.db2.gz BNXIEXNGDHFIHB-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001580071118 1344464088 /nfs/dbraw/zinc/46/40/88/1344464088.db2.gz SHMBHCQKIDKRRC-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001580071118 1344464090 /nfs/dbraw/zinc/46/40/90/1344464090.db2.gz SHMBHCQKIDKRRC-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM CS(=O)(=O)c1cccc(SCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001580172240 1344484488 /nfs/dbraw/zinc/48/44/88/1344484488.db2.gz PZCAALSOTJHCTN-UHFFFAOYSA-N -1 1 336.398 2.156 20 0 EEADMM CS(=O)(=O)c1cccc(SCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001580172240 1344484493 /nfs/dbraw/zinc/48/44/93/1344484493.db2.gz PZCAALSOTJHCTN-UHFFFAOYSA-N -1 1 336.398 2.156 20 0 EEADMM Cc1cccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001581230548 1344602793 /nfs/dbraw/zinc/60/27/93/1344602793.db2.gz VZFHVWKOEKMZRG-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1cccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1Cl ZINC001581230548 1344602805 /nfs/dbraw/zinc/60/28/05/1344602805.db2.gz VZFHVWKOEKMZRG-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1nsc(NCCCNC(=O)CC2CCCC2)c1-c1nn[n-]n1 ZINC001581715188 1344658125 /nfs/dbraw/zinc/65/81/25/1344658125.db2.gz JJNCOGOHOXNGHS-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM O=C(CCCc1ccccc1Cl)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582047560 1344695005 /nfs/dbraw/zinc/69/50/05/1344695005.db2.gz JUBVSFVDPNJCGS-UHFFFAOYSA-N -1 1 331.767 2.205 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(Cl)c(F)c1 ZINC001582138403 1344705887 /nfs/dbraw/zinc/70/58/87/1344705887.db2.gz CNXGBWYXJMWSFH-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(Cl)c(F)c1 ZINC001582138403 1344705889 /nfs/dbraw/zinc/70/58/89/1344705889.db2.gz CNXGBWYXJMWSFH-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Nc1cc(C(F)(F)F)no1)c1csc(-c2nn[n-]n2)c1 ZINC001582633684 1344771929 /nfs/dbraw/zinc/77/19/29/1344771929.db2.gz FLDQWLSTLCHHHQ-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM CN(C(=O)c1csc(Cc2ccc(Cl)cc2)n1)c1nn[n-]n1 ZINC001587339967 1348860099 /nfs/dbraw/zinc/86/00/99/1348860099.db2.gz WNJUIVOXHTYYDI-UHFFFAOYSA-N -1 1 334.792 2.177 20 0 EEADMM NS(=O)(=O)c1cc([N-]C(=O)c2coc(-c3ccccc3)n2)cs1 ZINC001587727553 1348870827 /nfs/dbraw/zinc/87/08/27/1348870827.db2.gz VEDNDSOTNVSXQU-UHFFFAOYSA-N -1 1 349.393 2.303 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001588884104 1348941457 /nfs/dbraw/zinc/94/14/57/1348941457.db2.gz YLUPTZMPRRMZFD-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001589145457 1348965943 /nfs/dbraw/zinc/96/59/43/1348965943.db2.gz RZCZMCHXXNLARU-MRXNPFEDSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)(/C=C\Cl)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589264480 1348976948 /nfs/dbraw/zinc/97/69/48/1348976948.db2.gz VQVGBVSUNULWNS-ARJAWSKDSA-N -1 1 327.722 2.406 20 0 EEADMM CC(C)(/C=C\Cl)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589264480 1348976951 /nfs/dbraw/zinc/97/69/51/1348976951.db2.gz VQVGBVSUNULWNS-ARJAWSKDSA-N -1 1 327.722 2.406 20 0 EEADMM CC(C)(CNc1ncncc1-c1nn[n-]n1)Oc1cc(F)cc(F)c1 ZINC001589292209 1348980152 /nfs/dbraw/zinc/98/01/52/1348980152.db2.gz IJXGXNRUHKIBST-UHFFFAOYSA-N -1 1 347.329 2.204 20 0 EEADMM CC(C)c1ccc(OS(=O)(=O)c2cccnc2-c2nn[n-]n2)cc1 ZINC001589768790 1349035658 /nfs/dbraw/zinc/03/56/58/1349035658.db2.gz FMMSLVPKMCHGDR-UHFFFAOYSA-N -1 1 345.384 2.153 20 0 EEADMM CC(C)c1nnc(COC(=O)c2sccc2-c2nn[n-]n2)s1 ZINC001589778961 1349039108 /nfs/dbraw/zinc/03/91/08/1349039108.db2.gz SKQGNRQCXWCCIV-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589834229 1349052647 /nfs/dbraw/zinc/05/26/47/1349052647.db2.gz FCMYCCYJGSKERZ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589834229 1349052650 /nfs/dbraw/zinc/05/26/50/1349052650.db2.gz FCMYCCYJGSKERZ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@H](O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC001590003773 1349102730 /nfs/dbraw/zinc/10/27/30/1349102730.db2.gz PVJOFHBNWFFJOL-ZETCQYMHSA-N -1 1 333.348 2.373 20 0 EEADMM C[C@H](O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC001590003773 1349102736 /nfs/dbraw/zinc/10/27/36/1349102736.db2.gz PVJOFHBNWFFJOL-ZETCQYMHSA-N -1 1 333.348 2.373 20 0 EEADMM CC1(C(=O)CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001590056447 1349135853 /nfs/dbraw/zinc/13/58/53/1349135853.db2.gz LLQBSGGTGQVCQN-UHFFFAOYSA-N -1 1 349.341 2.024 20 0 EEADMM CC1(C(=O)CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001590056447 1349135856 /nfs/dbraw/zinc/13/58/56/1349135856.db2.gz LLQBSGGTGQVCQN-UHFFFAOYSA-N -1 1 349.341 2.024 20 0 EEADMM C[C@]1(CC(=O)OCc2nc(-c3nnn[n-]3)cs2)CC1(Cl)Cl ZINC001590123466 1349164711 /nfs/dbraw/zinc/16/47/11/1349164711.db2.gz ODMRJKSROCQDOT-JTQLQIEISA-N -1 1 348.215 2.340 20 0 EEADMM C[C@]1(CC(=O)OCc2nc(-c3nn[n-]n3)cs2)CC1(Cl)Cl ZINC001590123466 1349164716 /nfs/dbraw/zinc/16/47/16/1349164716.db2.gz ODMRJKSROCQDOT-JTQLQIEISA-N -1 1 348.215 2.340 20 0 EEADMM C[C@@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC[C@@H]1O ZINC001590134896 1349171158 /nfs/dbraw/zinc/17/11/58/1349171158.db2.gz LQWNNJJWOXGZGK-MADCSZMMSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC[C@@H]1O ZINC001590134896 1349171164 /nfs/dbraw/zinc/17/11/64/1349171164.db2.gz LQWNNJJWOXGZGK-MADCSZMMSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590141111 1349172768 /nfs/dbraw/zinc/17/27/68/1349172768.db2.gz AJRKYZANNMQXSZ-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590141111 1349172773 /nfs/dbraw/zinc/17/27/73/1349172773.db2.gz AJRKYZANNMQXSZ-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590195202 1349194929 /nfs/dbraw/zinc/19/49/29/1349194929.db2.gz YNSVMGQIPVZIOT-GMTAPVOTSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590195202 1349194933 /nfs/dbraw/zinc/19/49/33/1349194933.db2.gz YNSVMGQIPVZIOT-GMTAPVOTSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001590231335 1349215912 /nfs/dbraw/zinc/21/59/12/1349215912.db2.gz XFEIXVCLVSYFPM-WDEREUQCSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@H](C)C1 ZINC001590235071 1349216711 /nfs/dbraw/zinc/21/67/11/1349216711.db2.gz GCXHEILUHHKYNO-KKZNHRDASA-N -1 1 334.811 2.470 20 0 EEADMM C[C@@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590250494 1349226461 /nfs/dbraw/zinc/22/64/61/1349226461.db2.gz ULXLDGDGGUIAFE-XCBNKYQSSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001590268801 1349240741 /nfs/dbraw/zinc/24/07/41/1349240741.db2.gz ZGLOMILQDLJYLV-SNVBAGLBSA-N -1 1 342.428 2.316 20 0 EEADMM C[C@H]1CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001590268121 1349241935 /nfs/dbraw/zinc/24/19/35/1349241935.db2.gz VXNNAMNNUBLCTG-JTQLQIEISA-N -1 1 347.448 2.045 20 0 EEADMM C[C@H]1CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001590268121 1349241941 /nfs/dbraw/zinc/24/19/41/1349241941.db2.gz VXNNAMNNUBLCTG-JTQLQIEISA-N -1 1 347.448 2.045 20 0 EEADMM CC[C@H](C[C@H](C)O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(C)cc21 ZINC001590421192 1349317679 /nfs/dbraw/zinc/31/76/79/1349317679.db2.gz HHUBRVBFBWAABX-NWDGAFQWSA-N -1 1 326.404 2.107 20 0 EEADMM CCC(CC)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001590432906 1349322531 /nfs/dbraw/zinc/32/25/31/1349322531.db2.gz YUFAWCPLJRTMMC-UHFFFAOYSA-N -1 1 334.449 2.013 20 0 EEADMM CCC(CC)CN(CC)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590433847 1349323187 /nfs/dbraw/zinc/32/31/87/1349323187.db2.gz ODFWSWFNZFJADT-UHFFFAOYSA-N -1 1 343.478 2.375 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590438475 1349325250 /nfs/dbraw/zinc/32/52/50/1349325250.db2.gz DFZLPXCXBOJTFZ-AWEZNQCLSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590438475 1349325254 /nfs/dbraw/zinc/32/52/54/1349325254.db2.gz DFZLPXCXBOJTFZ-AWEZNQCLSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001590447127 1349328217 /nfs/dbraw/zinc/32/82/17/1349328217.db2.gz ZLVYKVKPSFHJAG-ZDUSSCGKSA-N -1 1 328.351 2.092 20 0 EEADMM CC[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001590447127 1349328221 /nfs/dbraw/zinc/32/82/21/1349328221.db2.gz ZLVYKVKPSFHJAG-ZDUSSCGKSA-N -1 1 328.351 2.092 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cc(F)ccc1OC ZINC001590472919 1349346063 /nfs/dbraw/zinc/34/60/63/1349346063.db2.gz XAJUWZYAPQFFRH-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cc(F)ccc1OC ZINC001590472919 1349346069 /nfs/dbraw/zinc/34/60/69/1349346069.db2.gz XAJUWZYAPQFFRH-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1F ZINC001590474365 1349348113 /nfs/dbraw/zinc/34/81/13/1349348113.db2.gz FXSVPFRXEGBVSD-GXTWGEPZSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1F ZINC001590474365 1349348125 /nfs/dbraw/zinc/34/81/25/1349348125.db2.gz FXSVPFRXEGBVSD-GXTWGEPZSA-N -1 1 343.366 2.028 20 0 EEADMM CCc1nc(C)c(COC(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC001590911571 1349410605 /nfs/dbraw/zinc/41/06/05/1349410605.db2.gz JXNFWTHGXOADMV-UHFFFAOYSA-N -1 1 331.307 2.222 20 0 EEADMM CCc1nc(C)c(COC(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC001590911571 1349410612 /nfs/dbraw/zinc/41/06/12/1349410612.db2.gz JXNFWTHGXOADMV-UHFFFAOYSA-N -1 1 331.307 2.222 20 0 EEADMM CCc1nc(NCC[C@@H](OC)C(CC)CC)cc(-c2nnn[n-]2)n1 ZINC001590919586 1349411843 /nfs/dbraw/zinc/41/18/43/1349411843.db2.gz NFJSWANEWDPWRL-CYBMUJFWSA-N -1 1 333.440 2.472 20 0 EEADMM CCc1nc(NCC[C@@H](OC)C(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001590919586 1349411849 /nfs/dbraw/zinc/41/18/49/1349411849.db2.gz NFJSWANEWDPWRL-CYBMUJFWSA-N -1 1 333.440 2.472 20 0 EEADMM CN(OCc1ccccc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591154762 1349441497 /nfs/dbraw/zinc/44/14/97/1349441497.db2.gz JDBBSMCZCLTWLV-UHFFFAOYSA-N -1 1 327.319 2.210 20 0 EEADMM CN(OCc1ccccc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591154762 1349441504 /nfs/dbraw/zinc/44/15/04/1349441504.db2.gz JDBBSMCZCLTWLV-UHFFFAOYSA-N -1 1 327.319 2.210 20 0 EEADMM COC(=O)c1csc(NC(=O)c2ccsc2-c2nnn[n-]2)c1C ZINC001591307934 1349460408 /nfs/dbraw/zinc/46/04/08/1349460408.db2.gz UORKGUWILOHCNI-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1csc(NC(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001591307934 1349460414 /nfs/dbraw/zinc/46/04/14/1349460414.db2.gz UORKGUWILOHCNI-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001591384395 1349477896 /nfs/dbraw/zinc/47/78/96/1349477896.db2.gz YEBZEYZLYRZLGZ-LBPRGKRZSA-N -1 1 345.794 2.134 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc3cc(C)ccc3n2)c1-c1nn[n-]n1 ZINC001592206802 1349608887 /nfs/dbraw/zinc/60/88/87/1349608887.db2.gz PCRZQSJVXOXXKD-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1cccc(C)c1OCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592228000 1349611643 /nfs/dbraw/zinc/61/16/43/1349611643.db2.gz LXPSFEAJSQTYQN-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM Cc1cccc(C)c1OCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592228000 1349611648 /nfs/dbraw/zinc/61/16/48/1349611648.db2.gz LXPSFEAJSQTYQN-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM Cc1nsc(N[C@H](C)CNC(=O)/C=C\C(C)(C)C)c1-c1nn[n-]n1 ZINC001592484660 1349636571 /nfs/dbraw/zinc/63/65/71/1349636571.db2.gz QJCOZDKJMNOIEB-ATJFRQLMSA-N -1 1 349.464 2.151 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001592496925 1349637061 /nfs/dbraw/zinc/63/70/61/1349637061.db2.gz OXDAQZVUUCAHAB-MRVPVSSYSA-N -1 1 343.318 2.335 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)Oc2c(F)cccc21 ZINC001592496925 1349637062 /nfs/dbraw/zinc/63/70/62/1349637062.db2.gz OXDAQZVUUCAHAB-MRVPVSSYSA-N -1 1 343.318 2.335 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CC(F)(F)C(F)(F)F ZINC001592494841 1349637075 /nfs/dbraw/zinc/63/70/75/1349637075.db2.gz FGPQCCNFOAXLPV-UHFFFAOYSA-N -1 1 339.224 2.038 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CC(F)(F)C(F)(F)F ZINC001592494841 1349637076 /nfs/dbraw/zinc/63/70/76/1349637076.db2.gz FGPQCCNFOAXLPV-UHFFFAOYSA-N -1 1 339.224 2.038 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC001592495347 1349637229 /nfs/dbraw/zinc/63/72/29/1349637229.db2.gz KRGVAXXRIMBDOW-UHFFFAOYSA-N -1 1 334.767 2.032 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cc(Cl)cn1C ZINC001592495347 1349637230 /nfs/dbraw/zinc/63/72/30/1349637230.db2.gz KRGVAXXRIMBDOW-UHFFFAOYSA-N -1 1 334.767 2.032 20 0 EEADMM Clc1ccc2c(c1)[C@H](Nc1ccnc(-c3nn[n-]n3)n1)CCS2 ZINC001592533471 1349650035 /nfs/dbraw/zinc/65/00/35/1349650035.db2.gz NEOPZMANJJXYRO-SNVBAGLBSA-N -1 1 345.819 2.381 20 0 EEADMM Clc1nc(N2CCC[C@H](c3ccncn3)C2)sc1-c1nnn[n-]1 ZINC001592541141 1349654272 /nfs/dbraw/zinc/65/42/72/1349654272.db2.gz UORWGEHPXIPROO-QMMMGPOBSA-N -1 1 348.823 2.151 20 0 EEADMM Clc1nc(N2CCC[C@H](c3ccncn3)C2)sc1-c1nn[n-]n1 ZINC001592541141 1349654273 /nfs/dbraw/zinc/65/42/73/1349654273.db2.gz UORWGEHPXIPROO-QMMMGPOBSA-N -1 1 348.823 2.151 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1 ZINC001592560471 1349657463 /nfs/dbraw/zinc/65/74/63/1349657463.db2.gz FPOZONMJEVYPTA-RNFRBKRXSA-N -1 1 349.807 2.057 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1 ZINC001592560471 1349657465 /nfs/dbraw/zinc/65/74/65/1349657465.db2.gz FPOZONMJEVYPTA-RNFRBKRXSA-N -1 1 349.807 2.057 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@H]2COC3(CCC3)C2)c1 ZINC001592622369 1349677067 /nfs/dbraw/zinc/67/70/67/1349677067.db2.gz FGTMSJKFBHNORI-SECBINFHSA-N -1 1 340.309 2.404 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@H]2COC3(CCC3)C2)c1 ZINC001592622369 1349677068 /nfs/dbraw/zinc/67/70/68/1349677068.db2.gz FGTMSJKFBHNORI-SECBINFHSA-N -1 1 340.309 2.404 20 0 EEADMM Fc1cc(F)c2c(c1)[C@@H](Nc1ncncc1-c1nn[n-]n1)CCC2 ZINC001592641256 1349689225 /nfs/dbraw/zinc/68/92/25/1349689225.db2.gz FKNNUVQFRSSNQX-ZDUSSCGKSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3ncncc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647044 1349692489 /nfs/dbraw/zinc/69/24/89/1349692489.db2.gz HJOGXMHWRLWZGJ-JSGCOSHPSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(SCc2noc3c2COCC3)c1-c1nn[n-]n1 ZINC001592658163 1349702896 /nfs/dbraw/zinc/70/28/96/1349702896.db2.gz HSSSSXMWRLIGRC-UHFFFAOYSA-N -1 1 333.348 2.359 20 0 EEADMM O=C(CCc1ccc2ccccc2c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592850890 1349719529 /nfs/dbraw/zinc/71/95/29/1349719529.db2.gz LKSMLRRXDRNAEW-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM O=C(CCc1ccc2ccccc2c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592850890 1349719531 /nfs/dbraw/zinc/71/95/31/1349719531.db2.gz LKSMLRRXDRNAEW-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM O=C(CNC(=O)c1ccsc1-c1nnn[n-]1)CC1CCCCC1 ZINC001592873050 1349720961 /nfs/dbraw/zinc/72/09/61/1349720961.db2.gz FHVCDFRBQMWTRH-UHFFFAOYSA-N -1 1 333.417 2.198 20 0 EEADMM O=C(CNC(=O)c1ccsc1-c1nn[n-]n1)CC1CCCCC1 ZINC001592873050 1349720965 /nfs/dbraw/zinc/72/09/65/1349720965.db2.gz FHVCDFRBQMWTRH-UHFFFAOYSA-N -1 1 333.417 2.198 20 0 EEADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)C1CCCCC1 ZINC001592937407 1349728601 /nfs/dbraw/zinc/72/86/01/1349728601.db2.gz ZAJQHZRTNWTVLS-UHFFFAOYSA-N -1 1 341.415 2.057 20 0 EEADMM O=C(NCc1ccc(C(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593136370 1349739920 /nfs/dbraw/zinc/73/99/20/1349739920.db2.gz AEVNOVFTDIXEMG-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(NCc1ccc(C(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593136370 1349739923 /nfs/dbraw/zinc/73/99/23/1349739923.db2.gz AEVNOVFTDIXEMG-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1csc(-c2nn[n-]n2)c1 ZINC001593180922 1349744316 /nfs/dbraw/zinc/74/43/16/1349744316.db2.gz WTIQQOULBNYORI-NWDGAFQWSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593244872 1349749112 /nfs/dbraw/zinc/74/91/12/1349749112.db2.gz HERCMFSALSAMNU-UHFFFAOYSA-N -1 1 341.762 2.440 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@H]1C1CCC1 ZINC001593256413 1349753258 /nfs/dbraw/zinc/75/32/58/1349753258.db2.gz SYAVIFSXKMSLBX-AWEZNQCLSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@H]1C1CCC1 ZINC001593256413 1349753260 /nfs/dbraw/zinc/75/32/60/1349753260.db2.gz SYAVIFSXKMSLBX-AWEZNQCLSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(OC[C@H]1CCOC2(CCC2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593286575 1349764543 /nfs/dbraw/zinc/76/45/43/1349764543.db2.gz KPKSNZGZTQGCDH-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@H]1CCOC2(CCC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593286575 1349764546 /nfs/dbraw/zinc/76/45/46/1349764546.db2.gz KPKSNZGZTQGCDH-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C(F)(F)c1ccccc1 ZINC001593301778 1349774249 /nfs/dbraw/zinc/77/42/49/1349774249.db2.gz PELAJBORTLMIIP-UHFFFAOYSA-N -1 1 331.282 2.097 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C(F)(F)c1ccccc1 ZINC001593301778 1349774254 /nfs/dbraw/zinc/77/42/54/1349774254.db2.gz PELAJBORTLMIIP-UHFFFAOYSA-N -1 1 331.282 2.097 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001593341471 1349786014 /nfs/dbraw/zinc/78/60/14/1349786014.db2.gz VZWWLPIIMBUQLO-LRDDRELGSA-N -1 1 332.367 2.336 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001593341471 1349786016 /nfs/dbraw/zinc/78/60/16/1349786016.db2.gz VZWWLPIIMBUQLO-LRDDRELGSA-N -1 1 332.367 2.336 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1cccs1 ZINC001593348470 1349787099 /nfs/dbraw/zinc/78/70/99/1349787099.db2.gz AEMUQZRZMJXQDO-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1cccs1 ZINC001593348470 1349787114 /nfs/dbraw/zinc/78/71/14/1349787114.db2.gz AEMUQZRZMJXQDO-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=C1CCN1c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001593394157 1349795675 /nfs/dbraw/zinc/79/56/75/1349795675.db2.gz IUKGBHIWHSMNMY-UHFFFAOYSA-N -1 1 326.385 2.277 20 0 EEADMM O=C1CCN1c1ccc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001593394078 1349795948 /nfs/dbraw/zinc/79/59/48/1349795948.db2.gz AYNYFDGSQUSTOR-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1CCN1c1ccc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001593394078 1349795949 /nfs/dbraw/zinc/79/59/49/1349795949.db2.gz AYNYFDGSQUSTOR-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1cccc(Cl)n1 ZINC001593493278 1349818132 /nfs/dbraw/zinc/81/81/32/1349818132.db2.gz CSORTDNGYCIECQ-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC1CC3(CCC3)C1)CCCC2 ZINC001593492217 1349818857 /nfs/dbraw/zinc/81/88/57/1349818857.db2.gz KYGCYMJJTJAIBB-UHFFFAOYSA-N -1 1 325.416 2.488 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001593496811 1349820623 /nfs/dbraw/zinc/82/06/23/1349820623.db2.gz YNPBBWWVMDXSDN-JKSUJKDBSA-N -1 1 337.383 2.339 20 0 EEADMM c1nc2ccccc2n1[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001593550458 1349844403 /nfs/dbraw/zinc/84/44/03/1349844403.db2.gz VXMARYHEYUIWQI-LBPRGKRZSA-N -1 1 332.371 2.063 20 0 EEADMM c1nc2ccccc2n1[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001593550458 1349844407 /nfs/dbraw/zinc/84/44/07/1349844407.db2.gz VXMARYHEYUIWQI-LBPRGKRZSA-N -1 1 332.371 2.063 20 0 EEADMM c1ccc(-c2cc(CNc3ncncc3-c3nn[n-]n3)ccn2)cc1 ZINC001593568667 1349853686 /nfs/dbraw/zinc/85/36/86/1349853686.db2.gz WEHQKSRJEGPJHF-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CC[C@H](c2cccnc2)C1 ZINC001593587558 1349866557 /nfs/dbraw/zinc/86/65/57/1349866557.db2.gz KTILEVFTJOOLQS-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CC[C@H](c2cccnc2)C1 ZINC001593587558 1349866559 /nfs/dbraw/zinc/86/65/59/1349866559.db2.gz KTILEVFTJOOLQS-ZDUSSCGKSA-N -1 1 344.382 2.199 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001600131426 1349976241 /nfs/dbraw/zinc/97/62/41/1349976241.db2.gz XJFKZMYEDAKDTK-GFCCVEGCSA-N -1 1 340.339 2.118 20 0 EEADMM Cc1cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)[nH]c1C(=O)[O-] ZINC001600203438 1349992430 /nfs/dbraw/zinc/99/24/30/1349992430.db2.gz KXLXBUUKRDLTCN-OAHLLOKOSA-N -1 1 329.400 2.331 20 0 EEADMM Cc1cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)[nH]c1C(=O)[O-] ZINC001600204229 1349992449 /nfs/dbraw/zinc/99/24/49/1349992449.db2.gz DDXDMQXCQYXQTQ-CYBMUJFWSA-N -1 1 331.347 2.056 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(CCO)Cc1ccc(C)cc1 ZINC001600411342 1350043287 /nfs/dbraw/zinc/04/32/87/1350043287.db2.gz GJHNAMJGWXIKEY-UHFFFAOYSA-N -1 1 345.443 2.278 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)c3cc(C(=O)[O-])no3)CC2)cc1 ZINC001600412965 1350044234 /nfs/dbraw/zinc/04/42/34/1350044234.db2.gz CTFRQCVFMFAVKI-UHFFFAOYSA-N -1 1 343.383 2.029 20 0 EEADMM Cc1ccc2c(cnn2CN2CC[C@@H](n3cccn3)C2)c1C(=O)[O-] ZINC001600498599 1350066899 /nfs/dbraw/zinc/06/68/99/1350066899.db2.gz QYWLZSDBPGBQGH-CYBMUJFWSA-N -1 1 325.372 2.144 20 0 EEADMM Cc1cccc([C@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001600514424 1350070425 /nfs/dbraw/zinc/07/04/25/1350070425.db2.gz CLWMWCQYCXIYPS-CVEARBPZSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1cnc([C@@H](C)NC[C@@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC001600619138 1350099065 /nfs/dbraw/zinc/09/90/65/1350099065.db2.gz VBHYWHOBUYTSNC-DGCLKSJQSA-N -1 1 336.413 2.240 20 0 EEADMM Cc1nc(-c2ccccc2)oc1CN1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600680006 1350115797 /nfs/dbraw/zinc/11/57/97/1350115797.db2.gz SURVSCWOJHDGFS-SFHVURJKSA-N -1 1 341.367 2.455 20 0 EEADMM Cc1n[nH]c([C@H]2CCCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)n1 ZINC001600695840 1350117686 /nfs/dbraw/zinc/11/76/86/1350117686.db2.gz WMBCTIIZXYPWFP-LBPRGKRZSA-N -1 1 340.387 2.067 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@H]1CN(C)Cc2ccccc21 ZINC001600786384 1350137106 /nfs/dbraw/zinc/13/71/06/1350137106.db2.gz XFVGBHKIIUIXPQ-SFHVURJKSA-N -1 1 342.443 2.251 20 0 EEADMM Cc1noc([C@@H]2OCC[C@@H]2NCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001600817277 1350143560 /nfs/dbraw/zinc/14/35/60/1350143560.db2.gz RQSWGQOYOQCGSH-QWHCGFSZSA-N -1 1 337.763 2.349 20 0 EEADMM Cc1oc(CN(C)C(=O)CN(C)CCc2ccccc2)cc1C(=O)[O-] ZINC001600841997 1350148997 /nfs/dbraw/zinc/14/89/97/1350148997.db2.gz WDLZLVKJJZAFDV-UHFFFAOYSA-N -1 1 344.411 2.419 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001600906652 1350165104 /nfs/dbraw/zinc/16/51/04/1350165104.db2.gz NLTMNERRVLWXEB-UHFFFAOYSA-N -1 1 325.368 2.454 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(Cl)c2occc21 ZINC001601565119 1350307928 /nfs/dbraw/zinc/30/79/28/1350307928.db2.gz PMXAUDPGSCJSLO-LBPRGKRZSA-N -1 1 333.731 2.235 20 0 EEADMM O=C([O-])[C@H](CC(F)F)NC(=O)C(F)(F)c1c(F)cccc1F ZINC001601639867 1350325880 /nfs/dbraw/zinc/32/58/80/1350325880.db2.gz DNTJIKKRXNJFHH-ZETCQYMHSA-N -1 1 329.196 2.281 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC001601660268 1350330882 /nfs/dbraw/zinc/33/08/82/1350330882.db2.gz NPISLQZTTVXFJN-SJORKVTESA-N -1 1 342.370 2.217 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CNCc2c(F)cccc2OC(F)F)C1(F)F ZINC001601749298 1350355317 /nfs/dbraw/zinc/35/53/17/1350355317.db2.gz GAUGGFXHQPYNLY-GMSGAONNSA-N -1 1 325.233 2.483 20 0 EEADMM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)o1 ZINC001601879088 1350388485 /nfs/dbraw/zinc/38/84/85/1350388485.db2.gz FNMYTXLEGAMZIU-VFNNOXKTSA-N -1 1 332.400 2.354 20 0 EEADMM O=C([O-])CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC001602062699 1350430300 /nfs/dbraw/zinc/43/03/00/1350430300.db2.gz ZAKDUUFODMZNJY-UHFFFAOYSA-N -1 1 347.802 2.178 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC001602124516 1350445327 /nfs/dbraw/zinc/44/53/27/1350445327.db2.gz MXGXZBHTQSERGT-GJZGRUSLSA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc1 ZINC001602124516 1350445329 /nfs/dbraw/zinc/44/53/29/1350445329.db2.gz MXGXZBHTQSERGT-GJZGRUSLSA-N -1 1 349.456 2.015 20 0 EEADMM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)O1 ZINC001602177282 1350458291 /nfs/dbraw/zinc/45/82/91/1350458291.db2.gz JFEKVSSJPXNXAB-BDAKNGLRSA-N -1 1 344.154 2.440 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2O)C[C@H]1c1ccc(O)cc1 ZINC001602185855 1350460081 /nfs/dbraw/zinc/46/00/81/1350460081.db2.gz IIDAPMXUXRODHT-UONOGXRCSA-N -1 1 345.326 2.177 20 0 EEADMM O=C([O-])c1cc(CNC[C@H](O)c2ccc(C(F)(F)F)cc2)on1 ZINC001602259332 1350480050 /nfs/dbraw/zinc/48/00/50/1350480050.db2.gz RYJWPWCJNSFMRK-LBPRGKRZSA-N -1 1 330.262 2.215 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC001602334135 1350496351 /nfs/dbraw/zinc/49/63/51/1350496351.db2.gz RYCGIOIYKPXZBV-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2)cc1 ZINC001602402011 1350511187 /nfs/dbraw/zinc/51/11/87/1350511187.db2.gz CTNSLFFNFBWSQE-UHFFFAOYSA-N -1 1 335.385 2.497 20 0 EEADMM O=C([O-])c1ccoc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001602485091 1350529975 /nfs/dbraw/zinc/52/99/75/1350529975.db2.gz DXNNCPHWQFSHKA-LBPRGKRZSA-N -1 1 329.356 2.224 20 0 EEADMM O=C([O-])c1cnc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)cn1 ZINC001602518792 1350536719 /nfs/dbraw/zinc/53/67/19/1350536719.db2.gz LAQOUBMGZOMIDB-CYBMUJFWSA-N -1 1 335.367 2.108 20 0 EEADMM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602606109 1350555234 /nfs/dbraw/zinc/55/52/34/1350555234.db2.gz JPVIYADZCKPEHR-OAHLLOKOSA-N -1 1 337.335 2.324 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001602900487 1350601789 /nfs/dbraw/zinc/60/17/89/1350601789.db2.gz GMGLGPSQCMRYAT-FPLPWBNLSA-N -1 1 327.323 2.079 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccco1 ZINC001602902018 1350603220 /nfs/dbraw/zinc/60/32/20/1350603220.db2.gz QKBFNIAQEOAQBM-FPLPWBNLSA-N -1 1 325.332 2.102 20 0 EEADMM CC(=Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602907236 1350604507 /nfs/dbraw/zinc/60/45/07/1350604507.db2.gz VRDOSIBWSXHFKR-BQYQJAHWSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001602907236 1350604513 /nfs/dbraw/zinc/60/45/13/1350604513.db2.gz VRDOSIBWSXHFKR-BQYQJAHWSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001602952330 1350609733 /nfs/dbraw/zinc/60/97/33/1350609733.db2.gz DLCHRBKMYMKKCC-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001602952330 1350609736 /nfs/dbraw/zinc/60/97/36/1350609736.db2.gz DLCHRBKMYMKKCC-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603068389 1350631645 /nfs/dbraw/zinc/63/16/45/1350631645.db2.gz ZXCQPGNNRQNTKD-MFKMUULPSA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603068389 1350631656 /nfs/dbraw/zinc/63/16/56/1350631656.db2.gz ZXCQPGNNRQNTKD-MFKMUULPSA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603108362 1350641886 /nfs/dbraw/zinc/64/18/86/1350641886.db2.gz JLDVHYXICDXKDV-UHFFFAOYSA-N -1 1 339.359 2.086 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603108362 1350641892 /nfs/dbraw/zinc/64/18/92/1350641892.db2.gz JLDVHYXICDXKDV-UHFFFAOYSA-N -1 1 339.359 2.086 20 0 EEADMM CC(C)=CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC001603185622 1350658550 /nfs/dbraw/zinc/65/85/50/1350658550.db2.gz SLOVABURLCIQBC-UHFFFAOYSA-N -1 1 338.371 2.370 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001603185426 1350658615 /nfs/dbraw/zinc/65/86/15/1350658615.db2.gz QOZNQCIKZLVMIH-TZMCWYRMSA-N -1 1 326.404 2.463 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001603185426 1350658620 /nfs/dbraw/zinc/65/86/20/1350658620.db2.gz QOZNQCIKZLVMIH-TZMCWYRMSA-N -1 1 326.404 2.463 20 0 EEADMM C[C@H](C1CC1)n1nccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603435820 1350704547 /nfs/dbraw/zinc/70/45/47/1350704547.db2.gz BUNDEPKYSWEXPC-MRVPVSSYSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC001603643155 1350732582 /nfs/dbraw/zinc/73/25/82/1350732582.db2.gz LNNOMDJTXGGJLS-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM CC[C@@H](CNC(=O)CC1CCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604032473 1350834711 /nfs/dbraw/zinc/83/47/11/1350834711.db2.gz OHMQLRDPOKRREQ-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CCCCO1 ZINC001604063344 1350844127 /nfs/dbraw/zinc/84/41/27/1350844127.db2.gz DCTNENITXPVSCA-DGCLKSJQSA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CCCCO1 ZINC001604063344 1350844132 /nfs/dbraw/zinc/84/41/32/1350844132.db2.gz DCTNENITXPVSCA-DGCLKSJQSA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cn1 ZINC001604069985 1350846786 /nfs/dbraw/zinc/84/67/86/1350846786.db2.gz BIQCDIYSJOSYLX-CYBMUJFWSA-N -1 1 328.307 2.104 20 0 EEADMM CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001604069985 1350846788 /nfs/dbraw/zinc/84/67/88/1350846788.db2.gz BIQCDIYSJOSYLX-CYBMUJFWSA-N -1 1 328.307 2.104 20 0 EEADMM C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604125165 1350866234 /nfs/dbraw/zinc/86/62/34/1350866234.db2.gz KJTYQSQRZFLTGH-RXMQYKEDSA-N -1 1 347.261 2.282 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460566 1350942275 /nfs/dbraw/zinc/94/22/75/1350942275.db2.gz RWJWQRHJVCSYJW-ZJUUUORDSA-N -1 1 348.321 2.429 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001604460566 1350942277 /nfs/dbraw/zinc/94/22/77/1350942277.db2.gz RWJWQRHJVCSYJW-ZJUUUORDSA-N -1 1 348.321 2.429 20 0 EEADMM C[C@H](NCCC(=O)N1CCC[C@H](C)C1)c1ncc(C(=O)[O-])s1 ZINC001604734102 1350993998 /nfs/dbraw/zinc/99/39/98/1350993998.db2.gz LZDKGHAKUBFFFZ-QWRGUYRKSA-N -1 1 325.434 2.141 20 0 EEADMM CN(CC1CCOCC1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604736990 1350994614 /nfs/dbraw/zinc/99/46/14/1350994614.db2.gz QQEAJEOVUUNLBG-UHFFFAOYSA-N -1 1 342.325 2.143 20 0 EEADMM CN(CC1CCOCC1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604736990 1350994617 /nfs/dbraw/zinc/99/46/17/1350994617.db2.gz QQEAJEOVUUNLBG-UHFFFAOYSA-N -1 1 342.325 2.143 20 0 EEADMM CN(C[Si](C)(C)C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604795000 1351006464 /nfs/dbraw/zinc/00/64/64/1351006464.db2.gz LKTFHZNPLOKPLV-UHFFFAOYSA-N -1 1 325.395 2.094 20 0 EEADMM CN(C[Si](C)(C)C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604795000 1351006469 /nfs/dbraw/zinc/00/64/69/1351006469.db2.gz LKTFHZNPLOKPLV-UHFFFAOYSA-N -1 1 325.395 2.094 20 0 EEADMM COC(=O)c1coc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001604990056 1351047423 /nfs/dbraw/zinc/04/74/23/1351047423.db2.gz GKVJYEAVVUNXTQ-ZETCQYMHSA-N -1 1 348.340 2.226 20 0 EEADMM COC(=O)c1coc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001604990056 1351047427 /nfs/dbraw/zinc/04/74/27/1351047427.db2.gz GKVJYEAVVUNXTQ-ZETCQYMHSA-N -1 1 348.340 2.226 20 0 EEADMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001604995142 1351048312 /nfs/dbraw/zinc/04/83/12/1351048312.db2.gz DCRRRTDRMSUAGH-MRVPVSSYSA-N -1 1 339.346 2.078 20 0 EEADMM COC(C)(C)C[C@@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001604995142 1351048316 /nfs/dbraw/zinc/04/83/16/1351048316.db2.gz DCRRRTDRMSUAGH-MRVPVSSYSA-N -1 1 339.346 2.078 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1-c1nn[n-]n1 ZINC001605349181 1351142525 /nfs/dbraw/zinc/14/25/25/1351142525.db2.gz VRIDTYQRUVTKAL-SNVBAGLBSA-N -1 1 328.376 2.179 20 0 EEADMM Cc1c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)cnn1C(C)(C)C ZINC001605485631 1351168778 /nfs/dbraw/zinc/16/87/78/1351168778.db2.gz OSSRGOWILKZQDC-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM Cc1c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)cnn1C(C)(C)C ZINC001605485631 1351168780 /nfs/dbraw/zinc/16/87/80/1351168780.db2.gz OSSRGOWILKZQDC-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM CCOC(=O)c1c(C)[nH]nc1CN[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001605564179 1351190828 /nfs/dbraw/zinc/19/08/28/1351190828.db2.gz UEIOYLORVVSLEW-QGZVFWFLSA-N -1 1 349.362 2.124 20 0 EEADMM CCO[C@@H]1C[C@](CO)(N[C@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001605599470 1351198051 /nfs/dbraw/zinc/19/80/51/1351198051.db2.gz WISLUSGVOTWPNR-XDMRBOTDSA-N -1 1 328.434 2.058 20 0 EEADMM CCO[C@H]1C[C@](NC(=O)c2cccc3nc(C)[nH]c32)(C(=O)[O-])C1(C)C ZINC001605609191 1351200705 /nfs/dbraw/zinc/20/07/05/1351200705.db2.gz UIJMBWIBXXAHOX-UGSOOPFHSA-N -1 1 345.399 2.260 20 0 EEADMM Cc1cc(N[C@H]2CCOC3(CCSCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001605723323 1351218209 /nfs/dbraw/zinc/21/82/09/1351218209.db2.gz LFMQEHHPQCATOW-LBPRGKRZSA-N -1 1 346.460 2.427 20 0 EEADMM Cc1cc(N[C@H]2CCOC3(CCSCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001605723323 1351218214 /nfs/dbraw/zinc/21/82/14/1351218214.db2.gz LFMQEHHPQCATOW-LBPRGKRZSA-N -1 1 346.460 2.427 20 0 EEADMM CCc1cccc(C)c1NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001605826897 1351230455 /nfs/dbraw/zinc/23/04/55/1351230455.db2.gz DWTOEZBQHABZHN-CQSZACIVSA-N -1 1 336.457 2.246 20 0 EEADMM CCc1cccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)cc21 ZINC001605831643 1351231440 /nfs/dbraw/zinc/23/14/40/1351231440.db2.gz NXECYWINCRDUQB-ZDUSSCGKSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1ccc2sc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2c1 ZINC001605894067 1351249447 /nfs/dbraw/zinc/24/94/47/1351249447.db2.gz DUSVEDBFJZGIKU-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1ccc2sc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2c1 ZINC001605894067 1351249448 /nfs/dbraw/zinc/24/94/48/1351249448.db2.gz DUSVEDBFJZGIKU-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC001605923427 1351254757 /nfs/dbraw/zinc/25/47/57/1351254757.db2.gz IPOXOOGUAGMVRS-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cccnc1CNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001605947336 1351257722 /nfs/dbraw/zinc/25/77/22/1351257722.db2.gz GWDJVZNBOXYSRT-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cccnc1CNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001605947336 1351257726 /nfs/dbraw/zinc/25/77/26/1351257726.db2.gz GWDJVZNBOXYSRT-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM CN(C)[C@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001606011980 1351262895 /nfs/dbraw/zinc/26/28/95/1351262895.db2.gz HAILAHDVBQXMBI-OAHLLOKOSA-N -1 1 347.802 2.466 20 0 EEADMM Cc1nc(N[C@@H](C)c2noc(-c3ccccc3)n2)cc(-c2nnn[n-]2)n1 ZINC001606060559 1351267478 /nfs/dbraw/zinc/26/74/78/1351267478.db2.gz LLYBOSFSZQIBDE-VIFPVBQESA-N -1 1 349.358 2.188 20 0 EEADMM Cc1nc(N[C@@H](C)c2noc(-c3ccccc3)n2)cc(-c2nn[n-]n2)n1 ZINC001606060559 1351267483 /nfs/dbraw/zinc/26/74/83/1351267483.db2.gz LLYBOSFSZQIBDE-VIFPVBQESA-N -1 1 349.358 2.188 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001606139861 1351278409 /nfs/dbraw/zinc/27/84/09/1351278409.db2.gz XCMPVJPBOPXKRD-MNOVXSKESA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001606139861 1351278415 /nfs/dbraw/zinc/27/84/15/1351278415.db2.gz XCMPVJPBOPXKRD-MNOVXSKESA-N -1 1 332.433 2.421 20 0 EEADMM CN1CCN(C(=O)c2cc3ccccc3cc2F)C[C@H](C(=O)[O-])C1 ZINC001606235058 1351286800 /nfs/dbraw/zinc/28/68/00/1351286800.db2.gz AUDBEXZGJDBAIA-CQSZACIVSA-N -1 1 330.359 2.067 20 0 EEADMM Fc1ccc(OC[C@@H]2CCC[C@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001606322533 1351292469 /nfs/dbraw/zinc/29/24/69/1351292469.db2.gz CKEIOXWEQPUSTC-IONNQARKSA-N -1 1 347.272 2.280 20 0 EEADMM Fc1cccc(-n2ccc(NCc3ccns3)n2)c1-c1nn[n-]n1 ZINC001606327556 1351293568 /nfs/dbraw/zinc/29/35/68/1351293568.db2.gz WSIWQOACTNKAOB-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606509275 1351314142 /nfs/dbraw/zinc/31/41/42/1351314142.db2.gz LUDVYLLIQPEXNF-MRVPVSSYSA-N -1 1 342.186 2.485 20 0 EEADMM O=C(NC[C@H]1CCCC1(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606726384 1351347720 /nfs/dbraw/zinc/34/77/20/1351347720.db2.gz CKPYRKULSKBCKI-MRVPVSSYSA-N -1 1 343.284 2.310 20 0 EEADMM O=C(NC[C@H]1CCCC1(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606726384 1351347724 /nfs/dbraw/zinc/34/77/24/1351347724.db2.gz CKPYRKULSKBCKI-MRVPVSSYSA-N -1 1 343.284 2.310 20 0 EEADMM O=C(NCCC1(F)CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606758650 1351352494 /nfs/dbraw/zinc/35/24/94/1351352494.db2.gz YMHVDMCZMAPTQZ-UHFFFAOYSA-N -1 1 325.294 2.157 20 0 EEADMM O=C(NCCC1(F)CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606758650 1351352496 /nfs/dbraw/zinc/35/24/96/1351352496.db2.gz YMHVDMCZMAPTQZ-UHFFFAOYSA-N -1 1 325.294 2.157 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC001606842492 1351365719 /nfs/dbraw/zinc/36/57/19/1351365719.db2.gz SVPXIMAVDZIUNY-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC001606842492 1351365723 /nfs/dbraw/zinc/36/57/23/1351365723.db2.gz SVPXIMAVDZIUNY-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1C2CC3CC(C2)CC1C3 ZINC001606844596 1351365754 /nfs/dbraw/zinc/36/57/54/1351365754.db2.gz LKHVCBYIIDRHKB-UHFFFAOYSA-N -1 1 344.444 2.012 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1C2CC3CC(C2)CC1C3 ZINC001606844596 1351365758 /nfs/dbraw/zinc/36/57/58/1351365758.db2.gz LKHVCBYIIDRHKB-UHFFFAOYSA-N -1 1 344.444 2.012 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](O)C1CCCCCCC1 ZINC001606898100 1351371501 /nfs/dbraw/zinc/37/15/01/1351371501.db2.gz ZBTHBPXRUQXIBZ-OAHLLOKOSA-N -1 1 345.403 2.232 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC1CC2(CCC2)C1 ZINC001606950136 1351382978 /nfs/dbraw/zinc/38/29/78/1351382978.db2.gz RGTNMALPKLRJAT-UHFFFAOYSA-N -1 1 339.812 2.431 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCSc1ccc(F)cc1F ZINC001607091129 1351414326 /nfs/dbraw/zinc/41/43/26/1351414326.db2.gz IKQWPDSNWRZACP-UHFFFAOYSA-N -1 1 335.339 2.099 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(-c2ccc(Cl)s2)n1CCF ZINC001607091880 1351414929 /nfs/dbraw/zinc/41/49/29/1351414929.db2.gz LYANGYZVKQJBMG-UHFFFAOYSA-N -1 1 325.756 2.380 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc(OC2COC2)cc1 ZINC001607120931 1351427533 /nfs/dbraw/zinc/42/75/33/1351427533.db2.gz ABXNZAPTYFJSNP-UHFFFAOYSA-N -1 1 329.385 2.318 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2ncncc2-c2nnn[n-]2)c1 ZINC001607125988 1351429626 /nfs/dbraw/zinc/42/96/26/1351429626.db2.gz SGWCYPAKDCSFBA-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2ncncc2-c2nn[n-]n2)c1 ZINC001607125988 1351429628 /nfs/dbraw/zinc/42/96/28/1351429628.db2.gz SGWCYPAKDCSFBA-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1csc(-c2nc(CNCc3nc(-c4nnn[n-]4)cs3)co2)c1 ZINC001607136380 1351434956 /nfs/dbraw/zinc/43/49/56/1351434956.db2.gz DYOXHHMIBOBDJH-UHFFFAOYSA-N -1 1 345.413 2.330 20 0 EEADMM c1csc(-c2nc(CNCc3nc(-c4nn[n-]n4)cs3)co2)c1 ZINC001607136380 1351434959 /nfs/dbraw/zinc/43/49/59/1351434959.db2.gz DYOXHHMIBOBDJH-UHFFFAOYSA-N -1 1 345.413 2.330 20 0 EEADMM COc1cc(CN2CCSC[C@@H](C(=O)[O-])C2)c(Cl)cc1O ZINC001607157299 1351439632 /nfs/dbraw/zinc/43/96/32/1351439632.db2.gz CYOLXRFXNQXAGR-JTQLQIEISA-N -1 1 331.821 2.304 20 0 EEADMM COc1ccccc1C[C@@H](CNC(=O)c1ccc(F)cc1O)C(=O)[O-] ZINC001607342540 1351478664 /nfs/dbraw/zinc/47/86/64/1351478664.db2.gz BDPLNNFAEOIIFH-LBPRGKRZSA-N -1 1 347.342 2.213 20 0 EEADMM CS(C)(=O)=NCC1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001607387243 1351485054 /nfs/dbraw/zinc/48/50/54/1351485054.db2.gz FEZHSHZWNYIKNC-CYBMUJFWSA-N -1 1 330.475 2.313 20 0 EEADMM C[C@H]1CN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC001607466479 1351498378 /nfs/dbraw/zinc/49/83/78/1351498378.db2.gz UEFSAADTPBUITK-ZWKOPEQDSA-N -1 1 344.333 2.274 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1C(=O)[O-] ZINC001607621519 1351527311 /nfs/dbraw/zinc/52/73/11/1351527311.db2.gz FNQIVLYVZSANFZ-UHFFFAOYSA-N -1 1 337.401 2.153 20 0 EEADMM Cc1ccc([C@H]2C[C@H](C)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001607766755 1351554502 /nfs/dbraw/zinc/55/45/02/1351554502.db2.gz FYZOSBQQWFZTJC-ZVZYQTTQSA-N -1 1 332.444 2.398 20 0 EEADMM Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC(C)(C(=O)[O-])C2)c1 ZINC001607850984 1351571475 /nfs/dbraw/zinc/57/14/75/1351571475.db2.gz WQJMVIOQHACVPX-INIZCTEOSA-N -1 1 330.428 2.283 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cccc3c2OCO3)c1C(=O)[O-] ZINC001607862942 1351574003 /nfs/dbraw/zinc/57/40/03/1351574003.db2.gz GKRVLHLUPQKHJU-UHFFFAOYSA-N -1 1 335.337 2.223 20 0 EEADMM Cc1ccccc1C[C@@H](C)N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001607879696 1351577735 /nfs/dbraw/zinc/57/77/35/1351577735.db2.gz DUGHXMOJXWPJSW-NVXWUHKLSA-N -1 1 334.460 2.473 20 0 EEADMM Cc1nc(COC(=O)c2ccc3cncn3c2C)sc1C(=O)[O-] ZINC001607958812 1351593044 /nfs/dbraw/zinc/59/30/44/1351593044.db2.gz NDFLDYBPBPOXFO-UHFFFAOYSA-N -1 1 331.353 2.463 20 0 EEADMM Cc1nc(NC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)sc1C ZINC001607962782 1351594101 /nfs/dbraw/zinc/59/41/01/1351594101.db2.gz GRYJNDBOINTUNR-HLUHBDAQSA-N -1 1 325.434 2.130 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)CN3CCc4ccccc43)[nH]c21 ZINC001608334978 1351673104 /nfs/dbraw/zinc/67/31/04/1351673104.db2.gz JKDOPYNHDKQBGV-UHFFFAOYSA-N -1 1 336.351 2.262 20 0 EEADMM O=C(c1c[nH]c2cc(=O)ccc-2c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001623921290 1352409037 /nfs/dbraw/zinc/40/90/37/1352409037.db2.gz BLUQOKPSSHALDX-UHFFFAOYSA-N -1 1 340.339 2.049 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC001625355322 1352447226 /nfs/dbraw/zinc/44/72/26/1352447226.db2.gz WPINTRBGRKFZIF-UHFFFAOYSA-N -1 1 325.250 2.343 20 0 EEADMM O=C(CCc1ccco1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001633626840 1352614744 /nfs/dbraw/zinc/61/47/44/1352614744.db2.gz PCTLOWWCBYUEAY-AWEZNQCLSA-N -1 1 349.753 2.424 20 0 EEADMM Cc1cc([C@H](NCc2cc(=O)[nH]c(C3CC3)n2)C(=O)[O-])ccc1F ZINC001647415850 1353269191 /nfs/dbraw/zinc/26/91/91/1353269191.db2.gz PAUAREANKUPVLD-HNNXBMFYSA-N -1 1 331.347 2.423 20 0 EEADMM CC(C)c1ccc(C2(C(=O)OCc3nc(=O)n(C)[n-]3)CCC2)cc1 ZINC001649754784 1353586129 /nfs/dbraw/zinc/58/61/29/1353586129.db2.gz XOCUQXMSKXYZTL-UHFFFAOYSA-N -1 1 329.400 2.397 20 0 EEADMM COc1ccc(NC(=O)C2(C(C)(F)F)CC2)cc1[N-]S(C)(=O)=O ZINC001649889191 1353638421 /nfs/dbraw/zinc/63/84/21/1353638421.db2.gz AGHGPRWOMSYKHO-UHFFFAOYSA-N -1 1 348.371 2.441 20 0 EEADMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C)nc1)c1ccccc1 ZINC001649989965 1353678216 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COc1cccc([C@H](C)NC(=O)Nc2ccc(C(N)=O)c([O-])c2)c1 ZINC001192888952 1368435204 /nfs/dbraw/zinc/43/52/04/1368435204.db2.gz ONLZTWKWMPLACZ-JTQLQIEISA-N -1 1 329.356 2.382 20 0 EEADMM O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)nc1F ZINC000867110930 1368496313 /nfs/dbraw/zinc/49/63/13/1368496313.db2.gz BIUWYVSZRYYPFP-VHSXEESVSA-N -1 1 334.800 2.110 20 0 EEADMM COC(=O)CCN(Cc1ccco1)C(=O)c1cc([O-])cnc1Cl ZINC001195306045 1368515913 /nfs/dbraw/zinc/51/59/13/1368515913.db2.gz UHOFCHDAWPAAFU-UHFFFAOYSA-N -1 1 338.747 2.239 20 0 EEADMM Cc1cnc(=S)n(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000853621880 1369359641 /nfs/dbraw/zinc/35/96/41/1369359641.db2.gz MEBPCXRQCCBAII-MNOVXSKESA-N -1 1 348.394 2.267 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000861819843 1369511621 /nfs/dbraw/zinc/51/16/21/1369511621.db2.gz GIPALIFPRMPFIV-UHFFFAOYSA-N -1 1 333.348 2.418 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccccc2SC)co1 ZINC000781252802 1371207156 /nfs/dbraw/zinc/20/71/56/1371207156.db2.gz QCLZUCDRPADUCZ-UHFFFAOYSA-N -1 1 341.410 2.267 20 0 EEADMM O=S(=O)([N-]CCCCCCO)c1cnc(Cl)cc1Cl ZINC001116483845 1371727261 /nfs/dbraw/zinc/72/72/61/1371727261.db2.gz VHDBKKDTCYGYKT-UHFFFAOYSA-N -1 1 327.233 2.219 20 0 EEADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116470129 1371726408 /nfs/dbraw/zinc/72/64/08/1371726408.db2.gz MEXDNRZWMVOQBR-LLVKDONJSA-N -1 1 327.233 2.218 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC001123892111 1372195569 /nfs/dbraw/zinc/19/55/69/1372195569.db2.gz SQJMCZLUSKBTDY-NSHDSACASA-N -1 1 330.413 2.194 20 0 EEADMM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1c[nH]nc1Cl ZINC000830161074 1372316016 /nfs/dbraw/zinc/31/60/16/1372316016.db2.gz LKHQVBOLGIQTMY-SNVBAGLBSA-N -1 1 345.783 2.394 20 0 EEADMM CC(C)c1[nH]ccc1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801590 1372350899 /nfs/dbraw/zinc/35/08/99/1372350899.db2.gz MTLSIRVYUJPIDL-CQSZACIVSA-N -1 1 331.338 2.421 20 0 EEADMM Cc1[nH]c(CN2CCC(Oc3ncncc3C)CC2)c(C)c1C(=O)[O-] ZINC001140498173 1372587939 /nfs/dbraw/zinc/58/79/39/1372587939.db2.gz GUYMQFHPYYODCQ-UHFFFAOYSA-N -1 1 344.415 2.472 20 0 EEADMM O=C(OC[C@@H]1CCCCN1C(=O)c1ccc([O-])cn1)N1CCCC1 ZINC001362517135 1373426598 /nfs/dbraw/zinc/42/65/98/1373426598.db2.gz IKJLIXPROJXCAZ-ZDUSSCGKSA-N -1 1 333.388 2.014 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC001362656499 1373443530 /nfs/dbraw/zinc/44/35/30/1373443530.db2.gz HYQKJAWGMMSMCX-UHFFFAOYSA-N -1 1 337.767 2.423 20 0 EEADMM Cc1cc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc(=O)[nH]1 ZINC001363450188 1373519194 /nfs/dbraw/zinc/51/91/94/1373519194.db2.gz AHXSZBIRIITTCK-UHFFFAOYSA-N -1 1 330.388 2.127 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)CCC1 ZINC001389722129 1388268071 /nfs/dbraw/zinc/26/80/71/1388268071.db2.gz OAQJDXRBIFXNNG-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H](C)c1cccs1 ZINC001369819352 1374665147 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CCCc1nc(C)c(CN(CC)CCNC(=O)c2ncccc2[O-])o1 ZINC001377296841 1379112388 /nfs/dbraw/zinc/11/23/88/1379112388.db2.gz QURDNUMCSFIMAO-UHFFFAOYSA-N -1 1 346.431 2.288 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1ncc(Cl)s1 ZINC001377296755 1379112592 /nfs/dbraw/zinc/11/25/92/1379112592.db2.gz PFZXCPQAGFLJOP-UHFFFAOYSA-N -1 1 340.836 2.149 20 0 EEADMM CC[C@H](CC(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001380692736 1381342211 /nfs/dbraw/zinc/34/22/11/1381342211.db2.gz RUKFRYBTJZZUSJ-ZIAGYGMSSA-N -1 1 335.448 2.436 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ccoc1C)NC(=O)c1ncccc1[O-] ZINC001383223113 1382401785 /nfs/dbraw/zinc/40/17/85/1382401785.db2.gz KSUWPHYUCADERA-ZDUSSCGKSA-N -1 1 345.399 2.407 20 0 EEADMM CC(C)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001383533223 1382540391 /nfs/dbraw/zinc/54/03/91/1382540391.db2.gz LZAANLOCINFKSO-NWDGAFQWSA-N -1 1 348.447 2.119 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1(C)CCCCC1 ZINC001383698527 1382646263 /nfs/dbraw/zinc/64/62/63/1382646263.db2.gz FKXMYEAYWFQGTG-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)co1 ZINC001384372425 1382907635 /nfs/dbraw/zinc/90/76/35/1382907635.db2.gz ZSKWFEDLCCUZTL-AWEZNQCLSA-N -1 1 345.399 2.263 20 0 EEADMM CC[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001385333614 1385477573 /nfs/dbraw/zinc/47/75/73/1385477573.db2.gz UYYXEFTXLDBWKP-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001385481452 1385610426 /nfs/dbraw/zinc/61/04/26/1385610426.db2.gz SKNLBNKYZJCGMK-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CCC[C@H](C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001387439853 1386736293 /nfs/dbraw/zinc/73/62/93/1386736293.db2.gz GDEKTKDOTNNUAS-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccsc1 ZINC001388053644 1387160123 /nfs/dbraw/zinc/16/01/23/1387160123.db2.gz CFVAOJYUEYLKNW-AAEUAGOBSA-N -1 1 347.440 2.277 20 0 EEADMM CC(C)CCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC001391902176 1389698123 /nfs/dbraw/zinc/69/81/23/1389698123.db2.gz GKANRBHLIOEKTN-GJZGRUSLSA-N -1 1 345.443 2.286 20 0 EEADMM CCCc1nc(CNC2(CNC(=O)c3ncccc3[O-])CC2)cs1 ZINC001392900941 1390239604 /nfs/dbraw/zinc/23/96/04/1390239604.db2.gz URXYTQQLDRHOQD-UHFFFAOYSA-N -1 1 346.456 2.248 20 0 EEADMM CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1ncccc1[O-] ZINC001396891235 1390986408 /nfs/dbraw/zinc/98/64/08/1390986408.db2.gz VNDVLFBEEFQSGG-UONOGXRCSA-N -1 1 333.432 2.477 20 0 EEADMM O=C(CCC1CC1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001397230303 1391143326 /nfs/dbraw/zinc/14/33/26/1391143326.db2.gz ABTNFHXPYXIFMC-GOOCMWNKSA-N -1 1 343.427 2.229 20 0 EEADMM CCN(CCNC(=O)c1ccsc1C)C(=O)c1ncccc1[O-] ZINC001398084917 1391679896 /nfs/dbraw/zinc/67/98/96/1391679896.db2.gz XVIMMLPJBHKWFB-UHFFFAOYSA-N -1 1 333.413 2.049 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)CCCC2CC2)C1)C(=O)c1ncccc1[O-] ZINC001398488310 1393017760 /nfs/dbraw/zinc/01/77/60/1393017760.db2.gz DPKSVPBKFPVFSG-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1cccc(F)c1F ZINC001399701116 1395421365 /nfs/dbraw/zinc/42/13/65/1395421365.db2.gz SLIDKRDASMYCBN-UHFFFAOYSA-N -1 1 335.354 2.317 20 0 EEADMM CC(C)(C)CCCN1CCOC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001402514070 1398032184 /nfs/dbraw/zinc/03/21/84/1398032184.db2.gz GCKKXYMEHMLOIZ-CQSZACIVSA-N -1 1 335.448 2.044 20 0 EEADMM CCC1(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CCCC2)CCCC1 ZINC001423538492 1400629434 /nfs/dbraw/zinc/62/94/34/1400629434.db2.gz LNHAVLRTGJSHNN-AWEZNQCLSA-N -1 1 349.479 2.245 20 0 EEADMM C[C@H]1[C@H](NC(=O)CCC2CCC2)CCCN1C(=O)c1ncccc1[O-] ZINC001425684856 1401732816 /nfs/dbraw/zinc/73/28/16/1401732816.db2.gz XNFQXDMPZGIKAK-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)CC1CCCC1 ZINC001426730497 1402166650 /nfs/dbraw/zinc/16/66/50/1402166650.db2.gz VDEIVXKAUWEKMD-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CCCC(=O)NCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001426934059 1402257735 /nfs/dbraw/zinc/25/77/35/1402257735.db2.gz GWKVNATYVVHCPS-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)C(C)(C)C1CC1)C1CC1 ZINC001427399521 1402395138 /nfs/dbraw/zinc/39/51/38/1402395138.db2.gz RIJOASRFRBBBFO-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])cc1C ZINC001427522863 1402459377 /nfs/dbraw/zinc/45/93/77/1402459377.db2.gz YYKBYMOPMYQYBO-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001427845700 1402542890 /nfs/dbraw/zinc/54/28/90/1402542890.db2.gz ZPFKDJJTPQGPGZ-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C(=O)CCC1CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428948384 1402850398 /nfs/dbraw/zinc/85/03/98/1402850398.db2.gz NQGSABPVVMYHLI-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccsc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001433087628 1403355289 /nfs/dbraw/zinc/35/52/89/1403355289.db2.gz BQERTHDFFXMACP-LBPRGKRZSA-N -1 1 347.440 2.342 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC001575486585 1403551278 /nfs/dbraw/zinc/55/12/78/1403551278.db2.gz RIIWMUXTKUCXNR-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC001575486585 1403551281 /nfs/dbraw/zinc/55/12/81/1403551281.db2.gz RIIWMUXTKUCXNR-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM CCC1(C(=O)NCC[C@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577098042 1403623137 /nfs/dbraw/zinc/62/31/37/1403623137.db2.gz TYYDOEAHBAVHBN-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@@H](C)[C@H]1OC ZINC001577111900 1403624236 /nfs/dbraw/zinc/62/42/36/1403624236.db2.gz ZAMKGCOJSNQRHN-OASPWFOLSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@@H](C)[C@H]1OC ZINC001577111900 1403624241 /nfs/dbraw/zinc/62/42/41/1403624241.db2.gz ZAMKGCOJSNQRHN-OASPWFOLSA-N -1 1 349.460 2.498 20 0 EEADMM CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001577211167 1403626097 /nfs/dbraw/zinc/62/60/97/1403626097.db2.gz UOPVPAMVABTIHH-GHMZBOCLSA-N -1 1 349.464 2.129 20 0 EEADMM CCCCC(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001577396553 1403646577 /nfs/dbraw/zinc/64/65/77/1403646577.db2.gz WAICSTYKYATHLL-VIFPVBQESA-N -1 1 337.453 2.081 20 0 EEADMM CCCCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001577514338 1403660723 /nfs/dbraw/zinc/66/07/23/1403660723.db2.gz HFKYQOGOXBBGMI-CHWSQXEVSA-N -1 1 331.424 2.361 20 0 EEADMM CCCCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001577514338 1403660726 /nfs/dbraw/zinc/66/07/26/1403660726.db2.gz HFKYQOGOXBBGMI-CHWSQXEVSA-N -1 1 331.424 2.361 20 0 EEADMM COc1ccc(Cl)cc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001580032862 1403812870 /nfs/dbraw/zinc/81/28/70/1403812870.db2.gz MIIOBOJNVQMBNV-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1ccc(Cl)cc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001580032862 1403812891 /nfs/dbraw/zinc/81/28/91/1403812891.db2.gz MIIOBOJNVQMBNV-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001580048782 1403814965 /nfs/dbraw/zinc/81/49/65/1403814965.db2.gz XDEPOEFKBOSSGM-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001580048782 1403814979 /nfs/dbraw/zinc/81/49/79/1403814979.db2.gz XDEPOEFKBOSSGM-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM C[S@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001580153097 1403836362 /nfs/dbraw/zinc/83/63/62/1403836362.db2.gz UAUDIXWMCXIYTM-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001580153097 1403836367 /nfs/dbraw/zinc/83/63/67/1403836367.db2.gz UAUDIXWMCXIYTM-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(Cl)c(F)c2)c1 ZINC001580608874 1403863155 /nfs/dbraw/zinc/86/31/55/1403863155.db2.gz LNOXWSDAAUAMLC-UHFFFAOYSA-N -1 1 349.753 2.208 20 0 EEADMM CCOC(=O)[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001590752358 1403897441 /nfs/dbraw/zinc/89/74/41/1403897441.db2.gz FDOWSCPDKKJQQV-CQSZACIVSA-N -1 1 343.412 2.322 20 0 EEADMM COc1cccc(F)c1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591640003 1403932398 /nfs/dbraw/zinc/93/23/98/1403932398.db2.gz ORVSZKOOKZYMPV-QMMMGPOBSA-N -1 1 345.334 2.407 20 0 EEADMM COc1cccc(F)c1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591640003 1403932402 /nfs/dbraw/zinc/93/24/02/1403932402.db2.gz ORVSZKOOKZYMPV-QMMMGPOBSA-N -1 1 345.334 2.407 20 0 EEADMM CSCCCN(C)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591700045 1403941426 /nfs/dbraw/zinc/94/14/26/1403941426.db2.gz YTONGRDPPRZJQS-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CSCCCN(C)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591700045 1403941432 /nfs/dbraw/zinc/94/14/32/1403941432.db2.gz YTONGRDPPRZJQS-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC001591891168 1403970178 /nfs/dbraw/zinc/97/01/78/1403970178.db2.gz WQURFGDBPPYNKD-QMTHXVAHSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC001591891168 1403970185 /nfs/dbraw/zinc/97/01/85/1403970185.db2.gz WQURFGDBPPYNKD-QMTHXVAHSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1ncsc1CCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001592424760 1404033033 /nfs/dbraw/zinc/03/30/33/1404033033.db2.gz FGYGJYBFZBAXCA-UHFFFAOYSA-N -1 1 338.396 2.189 20 0 EEADMM Cc1nsc(NC(=O)NCCC[C@@H]2C=CCC2)c1-c1nnn[n-]1 ZINC001592481398 1404700855 /nfs/dbraw/zinc/70/08/55/1404700855.db2.gz NPDSHLHWDDRCEZ-SNVBAGLBSA-N -1 1 333.421 2.500 20 0 EEADMM Cc1nsc(NC(=O)NCCC[C@@H]2C=CCC2)c1-c1nn[n-]n1 ZINC001592481398 1404700860 /nfs/dbraw/zinc/70/08/60/1404700860.db2.gz NPDSHLHWDDRCEZ-SNVBAGLBSA-N -1 1 333.421 2.500 20 0 EEADMM Cc1nsc(NC(=O)NCCCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592481226 1404701291 /nfs/dbraw/zinc/70/12/91/1404701291.db2.gz IYAKWJFMJJZTPB-UHFFFAOYSA-N -1 1 335.315 2.096 20 0 EEADMM Cc1nsc(NC(=O)NCCCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592481226 1404701298 /nfs/dbraw/zinc/70/12/98/1404701298.db2.gz IYAKWJFMJJZTPB-UHFFFAOYSA-N -1 1 335.315 2.096 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccc2ccccc2n1 ZINC001592500397 1404704790 /nfs/dbraw/zinc/70/47/90/1404704790.db2.gz FVEKPCBFAQNGAL-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccc2ccccc2n1 ZINC001592500397 1404704794 /nfs/dbraw/zinc/70/47/94/1404704794.db2.gz FVEKPCBFAQNGAL-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM O=C(CSc1cccc(F)c1-c1nn[n-]n1)OCC(F)(F)F ZINC001592905258 1404727981 /nfs/dbraw/zinc/72/79/81/1404727981.db2.gz KFCOSRGCITZOSP-UHFFFAOYSA-N -1 1 336.270 2.203 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593030592 1404736476 /nfs/dbraw/zinc/73/64/76/1404736476.db2.gz VQEVSDJLEUMZOO-UHFFFAOYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593030592 1404736482 /nfs/dbraw/zinc/73/64/82/1404736482.db2.gz VQEVSDJLEUMZOO-UHFFFAOYSA-N -1 1 327.360 2.484 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001606147395 1404767039 /nfs/dbraw/zinc/76/70/39/1404767039.db2.gz HAXLMTSEAMWJQX-OXHZDVMGSA-N -1 1 348.447 2.348 20 0 EEADMM Fc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)c(C(F)(F)F)c1 ZINC001606319265 1404791655 /nfs/dbraw/zinc/79/16/55/1404791655.db2.gz NROPGEVDDYYLCV-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)c(C(F)(F)F)c1 ZINC001606319265 1404791663 /nfs/dbraw/zinc/79/16/63/1404791663.db2.gz NROPGEVDDYYLCV-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O ZINC001645669428 1404838533 /nfs/dbraw/zinc/83/85/33/1404838533.db2.gz AVHJDXZRRRGEAG-VIFPVBQESA-N -1 1 337.388 2.049 20 0 EEADMM C[C@H](C(=O)Nc1ccc(Br)c([O-])c1)[C@H]1CCC(=O)N1 ZINC001771819502 1406140664 /nfs/dbraw/zinc/14/06/64/1406140664.db2.gz BYMHERUBOSJYPA-OIBJUYFYSA-N -1 1 327.178 2.008 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@]1(C)CC=CCC1 ZINC001757287955 1409625383 /nfs/dbraw/zinc/62/53/83/1409625383.db2.gz JWDYIHXWIFXXRD-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC001771641227 1409811543 /nfs/dbraw/zinc/81/15/43/1409811543.db2.gz IJGSHNFUCOIEQC-WCQYABFASA-N -1 1 349.399 2.455 20 0 EEADMM O=C(NC[C@@H]1CCO[C@H]1c1cn[nH]c1)c1ncc2ccccc2c1[O-] ZINC000862902284 1410437845 /nfs/dbraw/zinc/43/78/45/1410437845.db2.gz KESFXSUXCDSGMN-YVEFUNNKSA-N -1 1 338.367 2.171 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1NC(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000946239936 790293151 /nfs/dbraw/zinc/29/31/51/790293151.db2.gz OMXSIANYPCENKR-OLZOCXBDSA-N -1 1 349.406 2.084 20 0 EEADMM C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417017 768918517 /nfs/dbraw/zinc/91/85/17/768918517.db2.gz UHBLATSJNUWHBE-JSGCOSHPSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417017 768918525 /nfs/dbraw/zinc/91/85/25/768918525.db2.gz UHBLATSJNUWHBE-JSGCOSHPSA-N -1 1 349.479 2.053 20 0 EEADMM CCC/C=C\C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000919239720 769705961 /nfs/dbraw/zinc/70/59/61/769705961.db2.gz WXEMHAUCIHFMSJ-PLNGDYQASA-N -1 1 341.310 2.444 20 0 EEADMM O=C(NCC1CN(Cc2cccc(F)c2Cl)C1)c1ncccc1[O-] ZINC001031627204 770437180 /nfs/dbraw/zinc/43/71/80/770437180.db2.gz GKTRDLUOGLUNGR-UHFFFAOYSA-N -1 1 349.793 2.442 20 0 EEADMM O=C(NCC1CN(Cc2cc(Cl)ccc2F)C1)c1ncccc1[O-] ZINC001031627709 770441128 /nfs/dbraw/zinc/44/11/28/770441128.db2.gz UEKJUKGPLLLFJX-UHFFFAOYSA-N -1 1 349.793 2.442 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979670421 770820565 /nfs/dbraw/zinc/82/05/65/770820565.db2.gz YBFVZWAOUVIQNS-MNUAXYBXSA-N -1 1 345.443 2.094 20 0 EEADMM CCN(C(=O)c1ccc(C)o1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942653445 782947437 /nfs/dbraw/zinc/94/74/37/782947437.db2.gz FSXNOZKXIBRMIY-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)OCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000064667721 773624881 /nfs/dbraw/zinc/62/48/81/773624881.db2.gz SWZYAISIDSEJPR-NSHDSACASA-N -1 1 345.424 2.465 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC000942751713 783112781 /nfs/dbraw/zinc/11/27/81/783112781.db2.gz HAZGGOSJMVFBQR-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980394343 774510162 /nfs/dbraw/zinc/51/01/62/774510162.db2.gz HAOSMZCBLIITNP-QGDIXAPHSA-N -1 1 345.443 2.094 20 0 EEADMM O=C(N[C@@H]1CCCCN(c2cccc(F)n2)C1)c1ncccc1[O-] ZINC001063185045 790338755 /nfs/dbraw/zinc/33/87/55/790338755.db2.gz BREHMFVKWLNGPA-GFCCVEGCSA-N -1 1 330.363 2.110 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cccc(F)c2F)CC1 ZINC000981026880 776402289 /nfs/dbraw/zinc/40/22/89/776402289.db2.gz OWTXCKIDTJNRTG-UHFFFAOYSA-N -1 1 347.365 2.414 20 0 EEADMM C[C@@H](CNc1c2ccccc2nnc1C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000846777129 790538422 /nfs/dbraw/zinc/53/84/22/790538422.db2.gz GEQDCDYDUQIPNT-RWMBFGLXSA-N -1 1 344.415 2.238 20 0 EEADMM O=C(CCC1CCC1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940659058 779074742 /nfs/dbraw/zinc/07/47/42/779074742.db2.gz RURONMHDXOMESF-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM C[C@H]1CCC[C@H]1CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063320548 790697467 /nfs/dbraw/zinc/69/74/67/790697467.db2.gz HDHSREDHGFWATC-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)N[N-]C(=O)c1cc(C)[nH]n1 ZINC000182845600 779859609 /nfs/dbraw/zinc/85/96/09/779859609.db2.gz FSDTULZIXDMEAC-UHFFFAOYSA-N -1 1 337.767 2.155 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCC3(CCC3)CC2)c1 ZINC000906979858 784297689 /nfs/dbraw/zinc/29/76/89/784297689.db2.gz DHYPDFCJKFDJEZ-UHFFFAOYSA-N -1 1 325.386 2.045 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cnccn1 ZINC000906990589 784305046 /nfs/dbraw/zinc/30/50/46/784305046.db2.gz GCBABVXWVBVFEV-ZDUSSCGKSA-N -1 1 339.395 2.407 20 0 EEADMM C[C@@H](NC(=O)c1cnn[nH]1)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 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CSCC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)c1nn[n-]n1 ZINC000912860692 788420593 /nfs/dbraw/zinc/42/05/93/788420593.db2.gz UFMKCXDHUAGVQU-GWCFXTLKSA-N -1 1 337.424 2.443 20 0 EEADMM CSCC[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1nn[n-]n1 ZINC000912861712 788422657 /nfs/dbraw/zinc/42/26/57/788422657.db2.gz VOQAENVZMWBQEH-KEYYUXOJSA-N -1 1 343.456 2.014 20 0 EEADMM CSCC[C@H](NC(=O)c1cccc2c1OCC2(C)C)c1nn[n-]n1 ZINC000912862118 788424281 /nfs/dbraw/zinc/42/42/81/788424281.db2.gz IVRYNONULAXBLC-LBPRGKRZSA-N -1 1 347.444 2.094 20 0 EEADMM Cc1conc1CN1CCC([C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000997043363 788574826 /nfs/dbraw/zinc/57/48/26/788574826.db2.gz PCCWTVDUCXYXDW-CYBMUJFWSA-N -1 1 344.415 2.114 20 0 EEADMM C[C@]1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCc2ccccc21 ZINC000913437311 788874291 /nfs/dbraw/zinc/87/42/91/788874291.db2.gz MABVQWIUWLTCSU-APWZRJJASA-N -1 1 333.395 2.309 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005955499 789003897 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CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1sccc1C(=O)[O-])C2 ZINC001144671654 790024098 /nfs/dbraw/zinc/02/40/98/790024098.db2.gz LHVXTGBPRWTFJR-LBPRGKRZSA-N -1 1 335.429 2.409 20 0 EEADMM CCn1ncc2c1[C@H](COC)CN(Cc1sccc1C(=O)[O-])C2 ZINC001144671654 790024101 /nfs/dbraw/zinc/02/41/01/790024101.db2.gz LHVXTGBPRWTFJR-LBPRGKRZSA-N -1 1 335.429 2.409 20 0 EEADMM Cc1cc(C)nc(N2CCN(Cc3sccc3C(=O)[O-])CC2)n1 ZINC001144677977 790031845 /nfs/dbraw/zinc/03/18/45/790031845.db2.gz JTLZZNNVOSMXIL-UHFFFAOYSA-N -1 1 332.429 2.175 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3sccc3C(=O)[O-])C[C@@H]21 ZINC001144680203 790033270 /nfs/dbraw/zinc/03/32/70/790033270.db2.gz MXTHCFRGFBOYED-JQWIXIFHSA-N -1 1 338.429 2.497 20 0 EEADMM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])co1 ZINC000946191534 790043410 /nfs/dbraw/zinc/04/34/10/790043410.db2.gz FEZWSDXBBIKBGM-JSGCOSHPSA-N -1 1 343.383 2.017 20 0 EEADMM O=C(NC1(CNC(=O)C2CCC=CCC2)CCC1)c1ncccc1[O-] ZINC001063120943 790245189 /nfs/dbraw/zinc/24/51/89/790245189.db2.gz XAFJRFFLAHVXMZ-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(NC[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1)c1ncccc1[O-] ZINC000946345310 791170938 /nfs/dbraw/zinc/17/09/38/791170938.db2.gz WSOAEWXINUVEDC-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)c1cc(NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)ncn1 ZINC001109821757 806044160 /nfs/dbraw/zinc/04/41/60/806044160.db2.gz OTMINVKLCUJSSL-AWEZNQCLSA-N -1 1 341.415 2.321 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946384452 791457316 /nfs/dbraw/zinc/45/73/16/791457316.db2.gz REVSZYCPZKZWNT-GJZGRUSLSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1ccnc2nc(C(=O)[N-]c3c4nsnc4ccc3Cl)nn21 ZINC000173268265 791830762 /nfs/dbraw/zinc/83/07/62/791830762.db2.gz RYWYDKRNFCUDTO-UHFFFAOYSA-N -1 1 345.775 2.343 20 0 EEADMM C[C@H](Nc1ncc(F)cn1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881773 791878302 /nfs/dbraw/zinc/87/83/02/791878302.db2.gz YSMOETUNKFTRHB-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1nccc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063936499 791995521 /nfs/dbraw/zinc/99/55/21/791995521.db2.gz BVWGFFQHNRUDIN-JSGCOSHPSA-N -1 1 341.415 2.238 20 0 EEADMM CCN(CC)c1ccc(C(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001148279196 792322772 /nfs/dbraw/zinc/32/27/72/792322772.db2.gz HNGJXASHAUGVIQ-UHFFFAOYSA-N -1 1 328.349 2.221 20 0 EEADMM C[N@@H+](CCCCc1ccccc1)CC(=O)NNC(=O)c1cccs1 ZINC000053081008 792337514 /nfs/dbraw/zinc/33/75/14/792337514.db2.gz WAKZBPQQFRJJQH-UHFFFAOYSA-N -1 1 345.468 2.464 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3cc4ccccn4n3)cc2)[n-]1 ZINC001148340115 792350243 /nfs/dbraw/zinc/35/02/43/792350243.db2.gz JLUKLXBRZKVZMQ-UHFFFAOYSA-N -1 1 347.378 2.377 20 0 EEADMM CC(C)(C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000992052823 792485170 /nfs/dbraw/zinc/48/51/70/792485170.db2.gz KNUPRUCDNBOLQZ-UHFFFAOYSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)c2cc[nH]c2n1 ZINC001148917842 792784449 /nfs/dbraw/zinc/78/44/49/792784449.db2.gz ZYLBXNGEXPDMLX-UHFFFAOYSA-N -1 1 347.352 2.028 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccnc1F ZINC001064395198 793024719 /nfs/dbraw/zinc/02/47/19/793024719.db2.gz HJFHEUKUXKYGIQ-NWDGAFQWSA-N -1 1 345.378 2.069 20 0 EEADMM O=C(Cc1c(Cl)cccc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913742003 794200948 /nfs/dbraw/zinc/20/09/48/794200948.db2.gz ARYGCICCAPISSK-UHFFFAOYSA-N -1 1 340.214 2.455 20 0 EEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742238 794201348 /nfs/dbraw/zinc/20/13/48/794201348.db2.gz PKUURULSZVNAMJ-SNVBAGLBSA-N -1 1 335.795 2.027 20 0 EEADMM C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742581 794202471 /nfs/dbraw/zinc/20/24/71/794202471.db2.gz KDFUDCHWGDWWIE-JTQLQIEISA-N -1 1 335.795 2.027 20 0 EEADMM Cn1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1-c1ccccc1 ZINC000913745415 794213666 /nfs/dbraw/zinc/21/36/66/794213666.db2.gz CZLYYXQPGLBNIW-UHFFFAOYSA-N -1 1 336.399 2.225 20 0 EEADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C1CC1 ZINC000999478950 794528928 /nfs/dbraw/zinc/52/89/28/794528928.db2.gz JOQIGAQAEWTIJM-RDBSUJKOSA-N -1 1 343.427 2.085 20 0 EEADMM COC(=O)CCN(CC(=O)[O-])Cc1cccc(F)c1Br ZINC000715711963 795483360 /nfs/dbraw/zinc/48/33/60/795483360.db2.gz ZKDYVTIMXLHEEO-UHFFFAOYSA-N -1 1 348.168 2.038 20 0 EEADMM O=C(NC1CCC(Nc2cncc(Cl)n2)CC1)c1ncccc1[O-] ZINC001060589647 796699905 /nfs/dbraw/zinc/69/99/05/796699905.db2.gz ZRRKUCJGWIXVSH-UHFFFAOYSA-N -1 1 347.806 2.384 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001543134 796998667 /nfs/dbraw/zinc/99/86/67/796998667.db2.gz AAANAJVMGONYIY-HUUCEWRRSA-N -1 1 345.443 2.192 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)cc1 ZINC000032629832 797026067 /nfs/dbraw/zinc/02/60/67/797026067.db2.gz MUWCOWLBSVDQTO-UHFFFAOYSA-N -1 1 332.381 2.097 20 0 EEADMM Cc1cc(NCCCCCCNC(=O)c2ncccc2[O-])ncn1 ZINC001094945271 797079004 /nfs/dbraw/zinc/07/90/04/797079004.db2.gz WQMZDRBEQFSFNA-UHFFFAOYSA-N -1 1 329.404 2.288 20 0 EEADMM CON(C)C(=O)c1cccc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721410 797365983 /nfs/dbraw/zinc/36/59/83/797365983.db2.gz OZPWGQBGTNHLOT-UHFFFAOYSA-N -1 1 326.312 2.138 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ccccc1)C(=O)c1ncccc1[O-] ZINC001002084616 797577756 /nfs/dbraw/zinc/57/77/56/797577756.db2.gz TVKWZTILPWOKSX-OAHLLOKOSA-N -1 1 339.395 2.164 20 0 EEADMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1cccnc1OC ZINC001174045077 797688477 /nfs/dbraw/zinc/68/84/77/797688477.db2.gz XOUVNJNVNYJCLR-UHFFFAOYSA-N -1 1 332.385 2.451 20 0 EEADMM Nc1cc(S(=O)(=O)[N-]c2ccnc(C(F)(F)F)c2)ccc1O ZINC001174361273 797747610 /nfs/dbraw/zinc/74/76/10/797747610.db2.gz GEENQFVAHOORLW-UHFFFAOYSA-N -1 1 333.291 2.189 20 0 EEADMM Cc1cocc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001002409723 798043688 /nfs/dbraw/zinc/04/36/88/798043688.db2.gz DJKNXBPHRXSZBP-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175526688 798145042 /nfs/dbraw/zinc/14/50/42/798145042.db2.gz ZVACENYPYBJWIX-UHFFFAOYSA-N -1 1 344.396 2.440 20 0 EEADMM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)Cc1nn[n-]n1 ZINC001176842959 798598205 /nfs/dbraw/zinc/59/82/05/798598205.db2.gz WUNRVGDJDQINHA-APWZRJJASA-N -1 1 331.379 2.145 20 0 EEADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000821816283 798631023 /nfs/dbraw/zinc/63/10/23/798631023.db2.gz OUWZQBVYOPMEOJ-SMDDNHRTSA-N -1 1 331.368 2.175 20 0 EEADMM Cc1nc(CNCCCCCCNC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001178203492 799337637 /nfs/dbraw/zinc/33/76/37/799337637.db2.gz MPTFNARDAQVNNT-UHFFFAOYSA-N -1 1 349.435 2.109 20 0 EEADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]1C1OCCO1 ZINC000888427532 799618763 /nfs/dbraw/zinc/61/87/63/799618763.db2.gz WHUJJYQXBGOWAL-LLVKDONJSA-N -1 1 342.189 2.132 20 0 EEADMM COc1ccc(CCC(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1C ZINC001180484629 800431189 /nfs/dbraw/zinc/43/11/89/800431189.db2.gz XJOVQZWZEMWKCI-UHFFFAOYSA-N -1 1 332.316 2.174 20 0 EEADMM O=C(COc1cccc2ccccc21)NCCCC[P@@](=O)([O-])O ZINC001180537395 800468081 /nfs/dbraw/zinc/46/80/81/800468081.db2.gz COWIZZQQPFQDDQ-UHFFFAOYSA-N -1 1 337.312 2.293 20 0 EEADMM CC(C)c1ccc(OCC(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc1 ZINC001180542434 800470733 /nfs/dbraw/zinc/47/07/33/800470733.db2.gz NNUDVZPBKQSJEI-UHFFFAOYSA-N -1 1 332.316 2.427 20 0 EEADMM Cc1ccc(NC(=O)CN(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000827825170 800517702 /nfs/dbraw/zinc/51/77/02/800517702.db2.gz LCGCURZDVKPGPM-UHFFFAOYSA-N -1 1 340.383 2.079 20 0 EEADMM CSc1nc(NC(=O)CCCNC(=O)c2ccccc2)cc(=O)[n-]1 ZINC001180959020 800618329 /nfs/dbraw/zinc/61/83/29/800618329.db2.gz URGWUCWDTUDASN-UHFFFAOYSA-N -1 1 346.412 2.053 20 0 EEADMM CN(C[C@H]1CCN1Cc1ccc(F)c(F)c1)C(=O)c1ncccc1[O-] ZINC001085561864 800768592 /nfs/dbraw/zinc/76/85/92/800768592.db2.gz XDXIDUAFPWBNJP-CYBMUJFWSA-N -1 1 347.365 2.412 20 0 EEADMM CN(C[C@@H]1CCN1C/C(Cl)=C/Cl)C(=O)c1ncccc1[O-] ZINC001085562234 800788660 /nfs/dbraw/zinc/78/86/60/800788660.db2.gz HBQGFNOVSWAAKX-BRNRAETOSA-N -1 1 330.215 2.253 20 0 EEADMM Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)c3ncccc3O)C2)s1 ZINC001033025357 800914707 /nfs/dbraw/zinc/91/47/07/800914707.db2.gz KTHYBJSSVNNOIW-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM Cc1nc(CN2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)c(C)s1 ZINC001033036533 801031412 /nfs/dbraw/zinc/03/14/12/801031412.db2.gz REUYJKBTTBGPER-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM O=C(CCOc1ccccc1Cl)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001182913229 801398105 /nfs/dbraw/zinc/39/81/05/801398105.db2.gz CKZXFNWUGAXXKT-UHFFFAOYSA-N -1 1 333.735 2.120 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cccc(F)c2O)cc1C(=O)[O-] ZINC001185307602 802452733 /nfs/dbraw/zinc/45/27/33/802452733.db2.gz UXZJUQAJWBIAGI-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM CC(C(=O)N1CCCC[C@H]1[C@@H](C)NCc1n[nH]c(=O)[n-]1)=C1CCCC1 ZINC001004830702 803025480 /nfs/dbraw/zinc/02/54/80/803025480.db2.gz XBDZEFWAQIBVPI-HIFRSBDPSA-N -1 1 347.463 2.260 20 0 EEADMM CC(C(=O)N1CCCC[C@@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1)=C1CCCC1 ZINC001004830696 803025674 /nfs/dbraw/zinc/02/56/74/803025674.db2.gz XBDZEFWAQIBVPI-DZGCQCFKSA-N -1 1 347.463 2.260 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001004920580 803250764 /nfs/dbraw/zinc/25/07/64/803250764.db2.gz TXCVLJKJQVDYDV-GXTWGEPZSA-N -1 1 349.479 2.196 20 0 EEADMM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867001608 803876982 /nfs/dbraw/zinc/87/69/82/803876982.db2.gz SJSIYPOJRZYDEW-RKDXNWHRSA-N -1 1 348.396 2.212 20 0 EEADMM CCc1nc(C)cc(NCCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001109437207 805463511 /nfs/dbraw/zinc/46/35/11/805463511.db2.gz HSJWOBKMOKMPRD-UHFFFAOYSA-N -1 1 329.404 2.022 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ncnc2ccccc21 ZINC001112984335 807764333 /nfs/dbraw/zinc/76/43/33/807764333.db2.gz UYAQGCHBMMDGKT-NWDGAFQWSA-N -1 1 337.383 2.349 20 0 EEADMM CCc1cc(C)nc(N[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983115 807786647 /nfs/dbraw/zinc/78/66/47/807786647.db2.gz GAXYUUSSZLDFAL-NWDGAFQWSA-N -1 1 329.404 2.067 20 0 EEADMM O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1nnc2ccccc2c1[O-] ZINC000789922561 808260159 /nfs/dbraw/zinc/26/01/59/808260159.db2.gz IJDGSYLLESMALZ-UHFFFAOYSA-N -1 1 332.319 2.429 20 0 EEADMM Cc1noc(C[N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)n1 ZINC000790445251 808716365 /nfs/dbraw/zinc/71/63/65/808716365.db2.gz PORUYBJBLBMWMI-UHFFFAOYSA-N -1 1 337.401 2.085 20 0 EEADMM CC[C@@H](Oc1ccccc1F)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791165976 809098267 /nfs/dbraw/zinc/09/82/67/809098267.db2.gz SHFKCFHVIKKZNT-CQSZACIVSA-N -1 1 328.347 2.277 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2ccnn2C)c(=O)[n-]1 ZINC000791937833 809492472 /nfs/dbraw/zinc/49/24/72/809492472.db2.gz WXLSRRMHTGXGPU-JTQLQIEISA-N -1 1 336.417 2.183 20 0 EEADMM CSc1nc2ccnc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c2s1 ZINC001170213981 809817465 /nfs/dbraw/zinc/81/74/65/809817465.db2.gz VLWPTMICCLKMRJ-UHFFFAOYSA-N -1 1 347.385 2.186 20 0 EEADMM Cc1ccccc1-c1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nn1 ZINC001170216908 809819701 /nfs/dbraw/zinc/81/97/01/809819701.db2.gz GABSQTYWMGSPFI-UHFFFAOYSA-N -1 1 335.327 2.225 20 0 EEADMM 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/nfs/dbraw/zinc/70/91/30/811709130.db2.gz DZOAIMCNFSETKB-CQSZACIVSA-N -1 1 331.372 2.063 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806490319 811878439 /nfs/dbraw/zinc/87/84/39/811878439.db2.gz FOIOJNQCGBKBDX-UHFFFAOYSA-N -1 1 338.415 2.120 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806482515 811893250 /nfs/dbraw/zinc/89/32/50/811893250.db2.gz YYMVOZVTWGYVKY-UHFFFAOYSA-N -1 1 345.790 2.326 20 0 EEADMM C[C@H](C1CC1)n1cc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)cn1 ZINC000806483158 811893380 /nfs/dbraw/zinc/89/33/80/811893380.db2.gz XNPOPHCQRUXGFX-SNVBAGLBSA-N -1 1 325.376 2.153 20 0 EEADMM COc1cccc2c(C(=O)OCC(=O)c3c(C)noc3C)[nH]nc21 ZINC000808674850 812810343 /nfs/dbraw/zinc/81/03/43/812810343.db2.gz PHXQSTSGOXMBBW-UHFFFAOYSA-N -1 1 329.312 2.216 20 0 EEADMM Brc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001573280684 946666566 /nfs/dbraw/zinc/66/65/66/946666566.db2.gz YIBRELDACHWANK-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(=O)c1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)sc1C 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Cc1cc2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000826273207 947792745 /nfs/dbraw/zinc/79/27/45/947792745.db2.gz UJEREDYJKWXSRQ-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM COCc1ccc(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001570925259 948665312 /nfs/dbraw/zinc/66/53/12/948665312.db2.gz DFHJXEQRNFKWLJ-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COCc1ccc(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001570925259 948665316 /nfs/dbraw/zinc/66/53/16/948665316.db2.gz DFHJXEQRNFKWLJ-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001570925640 948673354 /nfs/dbraw/zinc/67/33/54/948673354.db2.gz GALZDPMXDFGGJI-JSGCOSHPSA-N -1 1 329.310 2.077 20 0 EEADMM FC1(F)[C@H](CNc2cc(-c3nnn[n-]3)ncn2)[C@H]1c1ccccc1 ZINC001570926374 948688465 /nfs/dbraw/zinc/68/84/65/948688465.db2.gz VWNMAFIQGXRARQ-ZWNOBZJWSA-N -1 1 329.314 2.118 20 0 EEADMM FC1(F)[C@H](CNc2cc(-c3nn[n-]n3)ncn2)[C@H]1c1ccccc1 ZINC001570926374 948688469 /nfs/dbraw/zinc/68/84/69/948688469.db2.gz 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/nfs/dbraw/zinc/21/48/63/599214863.db2.gz DKCXXEYHYPBANH-UHFFFAOYSA-N -1 1 344.325 2.169 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C1CCCCC1 ZINC000823715134 607327673 /nfs/dbraw/zinc/32/76/73/607327673.db2.gz RMKACKDSBDTWCE-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C1CCCCC1 ZINC000823715134 607327674 /nfs/dbraw/zinc/32/76/74/607327674.db2.gz RMKACKDSBDTWCE-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM COc1cc(Br)c(CN2CC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000820755301 598129302 /nfs/dbraw/zinc/12/93/02/598129302.db2.gz ZJTGLFBFJPZSPK-SECBINFHSA-N -1 1 344.205 2.373 20 0 EEADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820233571 607381939 /nfs/dbraw/zinc/38/19/39/607381939.db2.gz LHPZSKWBZOHKBX-HZMBPMFUSA-N -1 1 328.351 2.325 20 0 EEADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820233571 607381941 /nfs/dbraw/zinc/38/19/41/607381941.db2.gz LHPZSKWBZOHKBX-HZMBPMFUSA-N -1 1 328.351 2.325 20 0 EEADMM Cc1ncc(CCNc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000822467103 607383580 /nfs/dbraw/zinc/38/35/80/607383580.db2.gz HLJQZFAXBBYWGD-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1ncc(CCNc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000822467103 607383581 /nfs/dbraw/zinc/38/35/81/607383581.db2.gz HLJQZFAXBBYWGD-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000238108509 600501331 /nfs/dbraw/zinc/50/13/31/600501331.db2.gz SZJLFPZUVMZGAT-CQSZACIVSA-N -1 1 343.383 2.173 20 0 EEADMM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000831774129 600739254 /nfs/dbraw/zinc/73/92/54/600739254.db2.gz QITHBKMYSJINLV-MRXNPFEDSA-N -1 1 334.347 2.161 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)o1 ZINC000829679696 600907092 /nfs/dbraw/zinc/90/70/92/600907092.db2.gz GKIRYYMJSRFNEQ-HNNXBMFYSA-N -1 1 331.372 2.072 20 0 EEADMM C/C(=C/CN1CCN(CCOc2ccccc2Cl)CC1)C(=O)[O-] ZINC000825742114 601048131 /nfs/dbraw/zinc/04/81/31/601048131.db2.gz WEACUNDEMMOYIV-NSIKDUERSA-N -1 1 338.835 2.367 20 0 EEADMM Cc1ccc(C)c(OCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832926646 601093945 /nfs/dbraw/zinc/09/39/45/601093945.db2.gz YDAYOQUUQGYBDX-INIZCTEOSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cccc(OCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C ZINC000832972081 601098819 /nfs/dbraw/zinc/09/88/19/601098819.db2.gz IUKUJISJPDFDSO-HNNXBMFYSA-N -1 1 348.443 2.080 20 0 EEADMM COC(=O)/C(C)=C/CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000831052927 601166855 /nfs/dbraw/zinc/16/68/55/601166855.db2.gz FRGJWRIUQFICOS-VZUCSPMQSA-N -1 1 327.327 2.361 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000825793733 601288394 /nfs/dbraw/zinc/28/83/94/601288394.db2.gz YUJWBPREMAVXFK-YBEMTRGBSA-N -1 1 334.391 2.236 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000833176409 601440089 /nfs/dbraw/zinc/44/00/89/601440089.db2.gz YSMKTYBXCVSYMK-RDTXWAMCSA-N -1 1 333.359 2.078 20 0 EEADMM CCC1CCC(NCC(=O)NCCOc2ccccc2)(C(=O)[O-])CC1 ZINC000829101544 601495062 /nfs/dbraw/zinc/49/50/62/601495062.db2.gz RKGRYYGKPPAPDZ-UHFFFAOYSA-N -1 1 348.443 2.195 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000831371343 601566642 /nfs/dbraw/zinc/56/66/42/601566642.db2.gz VWNKAKMYMOMWDQ-SRVKXCTJSA-N -1 1 348.399 2.229 20 0 EEADMM CCN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C1CCCC1 ZINC000829713542 601876064 /nfs/dbraw/zinc/87/60/64/601876064.db2.gz KENLAAGNGGHUAI-UHFFFAOYSA-N -1 1 345.399 2.375 20 0 EEADMM CCCCCC[C@]1(C)NC(=O)N(CN2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829357951 601889798 /nfs/dbraw/zinc/88/97/98/601889798.db2.gz WFMLSSUUHAVPMI-SJORKVTESA-N -1 1 339.436 2.021 20 0 EEADMM COC(=O)c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1F ZINC000831379492 601890315 /nfs/dbraw/zinc/89/03/15/601890315.db2.gz QFJSGNAYZWOPGM-NSHDSACASA-N -1 1 327.377 2.004 20 0 EEADMM Cc1cc2cccnc2c(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000832904357 602155982 /nfs/dbraw/zinc/15/59/82/602155982.db2.gz IJQZFPZFLMQOSG-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM CCN(CCC(=O)[O-])C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000829697630 602190742 /nfs/dbraw/zinc/19/07/42/602190742.db2.gz UWPOKCJYGUTTMQ-UHFFFAOYSA-N -1 1 348.428 2.195 20 0 EEADMM Cc1ccccc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826307575 607572263 /nfs/dbraw/zinc/57/22/63/607572263.db2.gz NTPRENQGDYDWBA-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1C ZINC000826292972 607574141 /nfs/dbraw/zinc/57/41/41/607574141.db2.gz VJEKOKUYQKKEDQ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C ZINC000826292972 607574143 /nfs/dbraw/zinc/57/41/43/607574143.db2.gz VJEKOKUYQKKEDQ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1)C(=O)[O-] ZINC000833544419 604636040 /nfs/dbraw/zinc/63/60/40/604636040.db2.gz XLMSMWDXOVPQLR-BPNCWPANSA-N -1 1 347.333 2.426 20 0 EEADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826289246 607716124 /nfs/dbraw/zinc/71/61/24/607716124.db2.gz RRFCMMGPWMXDIP-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000833439299 604864568 /nfs/dbraw/zinc/86/45/68/604864568.db2.gz QKHGQHFNQICKEC-KBPBESRZSA-N -1 1 335.404 2.196 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)SC(C)(C)C2=O)C1 ZINC000833564518 604865512 /nfs/dbraw/zinc/86/55/12/604865512.db2.gz RZROVERDCRUWDI-SNVBAGLBSA-N -1 1 328.434 2.241 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000833420501 604867191 /nfs/dbraw/zinc/86/71/91/604867191.db2.gz SUGVPGMUHWVMBJ-CYBMUJFWSA-N -1 1 344.415 2.296 20 0 EEADMM CC[C@H](OC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000833643936 605016769 /nfs/dbraw/zinc/01/67/69/605016769.db2.gz CRXPPVOJPVBYPF-NSHDSACASA-N -1 1 335.385 2.279 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n[nH]1 ZINC000833672777 605020006 /nfs/dbraw/zinc/02/00/06/605020006.db2.gz DDVWYTMUGCOQQN-VIFPVBQESA-N -1 1 332.364 2.364 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])n[nH]1 ZINC000833511948 605023176 /nfs/dbraw/zinc/02/31/76/605023176.db2.gz GBOUCRFDEHHFAI-NSHDSACASA-N -1 1 330.388 2.436 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@@H](C)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000833715134 605213367 /nfs/dbraw/zinc/21/33/67/605213367.db2.gz PCLXQRCNXGHROF-NEPJUHHUSA-N -1 1 348.399 2.088 20 0 EEADMM COc1ccc(O)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733726 605239125 /nfs/dbraw/zinc/23/91/25/605239125.db2.gz NNBBCIULIYNTTB-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM C[C@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCN1CCC(=O)[O-] ZINC000833619621 605251857 /nfs/dbraw/zinc/25/18/57/605251857.db2.gz UKAZTKHLVXNLSE-HNNXBMFYSA-N -1 1 330.428 2.116 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000830036645 605295507 /nfs/dbraw/zinc/29/55/07/605295507.db2.gz XAIMMGDYCCDDIN-LLVKDONJSA-N -1 1 345.403 2.281 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cn(C)nc2C(F)(F)F)O1 ZINC000833582196 605368756 /nfs/dbraw/zinc/36/87/56/605368756.db2.gz DTJGEYYLNJRWDY-SNVBAGLBSA-N -1 1 333.310 2.018 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC000833640512 605596804 /nfs/dbraw/zinc/59/68/04/605596804.db2.gz ZFPNVGKMLYLVEV-OGHNNQOOSA-N -1 1 336.432 2.270 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC000833640511 605597319 /nfs/dbraw/zinc/59/73/19/605597319.db2.gz ZFPNVGKMLYLVEV-GDZNZVCISA-N -1 1 336.432 2.270 20 0 EEADMM C/C=C(\C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000820825756 606191104 /nfs/dbraw/zinc/19/11/04/606191104.db2.gz CUCDBWPZUZFTKB-NYYWCZLTSA-N -1 1 338.371 2.370 20 0 EEADMM Cc1nc([C@H]2CCCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000822436195 606459476 /nfs/dbraw/zinc/45/94/76/606459476.db2.gz IEZDRRMZCFNWKI-SNVBAGLBSA-N -1 1 346.782 2.338 20 0 EEADMM Cc1nc([C@H]2CCCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000822436195 606459477 /nfs/dbraw/zinc/45/94/77/606459477.db2.gz IEZDRRMZCFNWKI-SNVBAGLBSA-N -1 1 346.782 2.338 20 0 EEADMM O=C(CCn1ccc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822987409 606519506 /nfs/dbraw/zinc/51/95/06/606519506.db2.gz XLRUPRAHHVJECO-UHFFFAOYSA-N -1 1 348.366 2.350 20 0 EEADMM O=C(CCn1ccc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822987409 606519508 /nfs/dbraw/zinc/51/95/08/606519508.db2.gz XLRUPRAHHVJECO-UHFFFAOYSA-N -1 1 348.366 2.350 20 0 EEADMM C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820291923 606530534 /nfs/dbraw/zinc/53/05/34/606530534.db2.gz ADYPQBIGGHOGSO-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](COc1cccc(F)c1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820291923 606530535 /nfs/dbraw/zinc/53/05/35/606530535.db2.gz ADYPQBIGGHOGSO-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144195 606573477 /nfs/dbraw/zinc/57/34/77/606573477.db2.gz CRBBKWTWZNVPHF-RYUDHWBXSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144195 606573478 /nfs/dbraw/zinc/57/34/78/606573478.db2.gz CRBBKWTWZNVPHF-RYUDHWBXSA-N -1 1 325.397 2.289 20 0 EEADMM CC(=O)N(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819788856 606580398 /nfs/dbraw/zinc/58/03/98/606580398.db2.gz HWKTWLGAQFPNOU-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM CC(=O)N(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819788856 606580399 /nfs/dbraw/zinc/58/03/99/606580399.db2.gz HWKTWLGAQFPNOU-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM O=C(COc1ccccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823054727 606653839 /nfs/dbraw/zinc/65/38/39/606653839.db2.gz DFMKNUWIURUUET-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(COc1ccccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823054727 606653840 /nfs/dbraw/zinc/65/38/40/606653840.db2.gz DFMKNUWIURUUET-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820882421 606684184 /nfs/dbraw/zinc/68/41/84/606684184.db2.gz RFWJCXZYQASVCM-SNVBAGLBSA-N -1 1 325.376 2.366 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820882421 606684185 /nfs/dbraw/zinc/68/41/85/606684185.db2.gz RFWJCXZYQASVCM-SNVBAGLBSA-N -1 1 325.376 2.366 20 0 EEADMM CCOC(=O)c1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1C ZINC000821337236 606720777 /nfs/dbraw/zinc/72/07/77/606720777.db2.gz DQWUOTFXJDSJNW-UHFFFAOYSA-N -1 1 347.766 2.174 20 0 EEADMM CCOC(=O)c1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1C ZINC000821337236 606720778 /nfs/dbraw/zinc/72/07/78/606720778.db2.gz DQWUOTFXJDSJNW-UHFFFAOYSA-N -1 1 347.766 2.174 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)n1 ZINC000821835799 606749406 /nfs/dbraw/zinc/74/94/06/606749406.db2.gz RVPNBVGCWKKDIP-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)n1 ZINC000821835799 606749407 /nfs/dbraw/zinc/74/94/07/606749407.db2.gz RVPNBVGCWKKDIP-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM CC(C)Oc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n1 ZINC000824334480 607866659 /nfs/dbraw/zinc/86/66/59/607866659.db2.gz VMNUHYPTOZUPDJ-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM CN(Cc1cccc(O)c1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825980916 608076623 /nfs/dbraw/zinc/07/66/23/608076623.db2.gz LSSLFWDMVLAVCY-UHFFFAOYSA-N -1 1 333.355 2.152 20 0 EEADMM CN(Cc1cccc(O)c1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825980916 608076624 /nfs/dbraw/zinc/07/66/24/608076624.db2.gz LSSLFWDMVLAVCY-UHFFFAOYSA-N -1 1 333.355 2.152 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1OC(F)F ZINC000824655000 608394520 /nfs/dbraw/zinc/39/45/20/608394520.db2.gz ARJZUUTUHUTOQK-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1OC(F)F ZINC000824655000 608394523 /nfs/dbraw/zinc/39/45/23/608394523.db2.gz ARJZUUTUHUTOQK-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM CC(C)COC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC000824271002 608410009 /nfs/dbraw/zinc/41/00/09/608410009.db2.gz KFRMOEUXPXXENA-GFCCVEGCSA-N -1 1 329.364 2.076 20 0 EEADMM CC(C)COC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC000824271002 608410010 /nfs/dbraw/zinc/41/00/10/608410010.db2.gz KFRMOEUXPXXENA-GFCCVEGCSA-N -1 1 329.364 2.076 20 0 EEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1Cl ZINC000824426264 608424248 /nfs/dbraw/zinc/42/42/48/608424248.db2.gz CJFNYTUJWPZJHL-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1Cl ZINC000824426264 608424249 /nfs/dbraw/zinc/42/42/49/608424249.db2.gz CJFNYTUJWPZJHL-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM FC(F)(F)C1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826367075 608428676 /nfs/dbraw/zinc/42/86/76/608428676.db2.gz KXHUWRIAQFLRCL-UHFFFAOYSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)C1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826367075 608428677 /nfs/dbraw/zinc/42/86/77/608428677.db2.gz KXHUWRIAQFLRCL-UHFFFAOYSA-N -1 1 327.314 2.437 20 0 EEADMM COc1ccc(OC)c(CNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC000826210979 608542545 /nfs/dbraw/zinc/54/25/45/608542545.db2.gz LIQJOPBTYMVRNV-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM Clc1ccc(Cl)c(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826352154 608890728 /nfs/dbraw/zinc/89/07/28/608890728.db2.gz POVQJTREKHLNCZ-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Clc1ccc(Cl)c(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826352154 608890733 /nfs/dbraw/zinc/89/07/33/608890733.db2.gz POVQJTREKHLNCZ-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Cc1nc(SCCOc2ccccc2-c2nn[nH]n2)[n-]c(=O)c1C ZINC000826327520 609182645 /nfs/dbraw/zinc/18/26/45/609182645.db2.gz KPODOVOVQPILAM-UHFFFAOYSA-N -1 1 344.400 2.150 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cccc(F)c2F)C1 ZINC000969546913 675096053 /nfs/dbraw/zinc/09/60/53/675096053.db2.gz WBVHNWBGUYWHSY-LLVKDONJSA-N -1 1 347.365 2.316 20 0 EEADMM Cc1cc(F)ccc1CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038190693 676000218 /nfs/dbraw/zinc/00/02/18/676000218.db2.gz CTTGEJSQVGSGOW-HNNXBMFYSA-N -1 1 329.375 2.239 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(CCO)cc1 ZINC000890636922 675198508 /nfs/dbraw/zinc/19/85/08/675198508.db2.gz RTEGOKKCYCNEHH-UHFFFAOYSA-N -1 1 343.427 2.253 20 0 EEADMM Nc1nc([O-])c(CC(=O)N(CCc2ccccc2)C2CCCC2)s1 ZINC000079804810 675448960 /nfs/dbraw/zinc/44/89/60/675448960.db2.gz ZUCMNYCYAAGOGY-HNNXBMFYSA-N -1 1 345.468 2.347 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccnn1CC1CC1 ZINC000160292104 675692603 /nfs/dbraw/zinc/69/26/03/675692603.db2.gz HBGZRLLSALKNOP-UHFFFAOYSA-N -1 1 329.404 2.235 20 0 EEADMM O=C(Cc1ccc(-n2cccn2)cc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621955 676732677 /nfs/dbraw/zinc/73/26/77/676732677.db2.gz AFJUVVDHRDSMEM-UHFFFAOYSA-N -1 1 349.394 2.428 20 0 EEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)[C@H]2CCCO[C@H]21 ZINC000866872963 677966581 /nfs/dbraw/zinc/96/65/81/677966581.db2.gz IAXWDTJXVWXQIV-GGZOMVNGSA-N -1 1 348.827 2.356 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)cc3)[C@H](C)C2)c1[O-] ZINC000947205280 679794992 /nfs/dbraw/zinc/79/49/92/679794992.db2.gz OJUQJCKELGILBL-ABAIWWIYSA-N -1 1 346.406 2.346 20 0 EEADMM O=C(NC[C@@H]1CCCCN1Cc1ccns1)c1ncccc1[O-] ZINC001024407564 679891928 /nfs/dbraw/zinc/89/19/28/679891928.db2.gz PELZWOXKDOTEEU-LBPRGKRZSA-N -1 1 332.429 2.028 20 0 EEADMM CC(C)c1cnc(CN2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)o1 ZINC001028497936 681647513 /nfs/dbraw/zinc/64/75/13/681647513.db2.gz BHNWTXCFJYFHQL-ZDUSSCGKSA-N -1 1 344.415 2.151 20 0 EEADMM O=C(NC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)c1ncccc1[O-] ZINC001028501159 681663443 /nfs/dbraw/zinc/66/34/43/681663443.db2.gz VAWMJOBVOPUEGJ-ZDUSSCGKSA-N -1 1 346.818 2.088 20 0 EEADMM Cn1c(CNC(=O)CSc2nc3ccccc3o2)n[n-]c1=S ZINC000066625616 681739896 /nfs/dbraw/zinc/73/98/96/681739896.db2.gz ALFYMOXLTQHBLV-UHFFFAOYSA-N -1 1 335.414 2.027 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983132574 681875992 /nfs/dbraw/zinc/87/59/92/681875992.db2.gz GPORVVSSRJSGOY-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM COCc1nc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000892673411 682278359 /nfs/dbraw/zinc/27/83/59/682278359.db2.gz DZOXYXJZLRVWBN-BXUZGUMPSA-N -1 1 333.363 2.434 20 0 EEADMM CC[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197225 682294877 /nfs/dbraw/zinc/29/48/77/682294877.db2.gz ABAWMTREYOBYCZ-WFTHSTBKSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](NC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC000983584710 682900206 /nfs/dbraw/zinc/90/02/06/682900206.db2.gz JRVGVZPPPPCADR-QWHCGFSZSA-N -1 1 349.406 2.227 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCCc2cccc(Cl)c2)C1 ZINC000909406641 682915280 /nfs/dbraw/zinc/91/52/80/682915280.db2.gz GXDXGJBXHXEWTJ-AWEZNQCLSA-N -1 1 338.835 2.185 20 0 EEADMM CC(C)c1c(C(=O)N(C)c2nn[n-]n2)cnn1-c1ccccc1Cl ZINC000892954042 683321706 /nfs/dbraw/zinc/32/17/06/683321706.db2.gz AMWBMXJDITWYTO-UHFFFAOYSA-N -1 1 345.794 2.439 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000909396622 693777067 /nfs/dbraw/zinc/77/70/67/693777067.db2.gz QVPJWJCRSXFAEH-LBPRGKRZSA-N -1 1 344.333 2.118 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000834395945 683826211 /nfs/dbraw/zinc/82/62/11/683826211.db2.gz JKIXSKJWJSOTTP-AGIUHOORSA-N -1 1 333.432 2.476 20 0 EEADMM CN(C(=O)C1(C)CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984124107 684126370 /nfs/dbraw/zinc/12/63/70/684126370.db2.gz WXDSLFPNGOHTJS-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cocc1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984123486 684126823 /nfs/dbraw/zinc/12/68/23/684126823.db2.gz VXAYQIVHIKPNFQ-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC000984522831 684694622 /nfs/dbraw/zinc/69/46/22/684694622.db2.gz ZEGRNTIIDZDSMV-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000312700591 684811346 /nfs/dbraw/zinc/81/13/46/684811346.db2.gz AXZAIIQBKUYXHN-UHFFFAOYSA-N -1 1 344.191 2.362 20 0 EEADMM O=C(Nc1cccc(N2CCCC2=O)c1)c1cnc(C2CC2)[n-]c1=O ZINC000899991732 693956866 /nfs/dbraw/zinc/95/68/66/693956866.db2.gz YBHVCCYEAFWXDE-UHFFFAOYSA-N -1 1 338.367 2.439 20 0 EEADMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866922331 686670560 /nfs/dbraw/zinc/67/05/60/686670560.db2.gz BBGDUXUQSHQTAU-GWCFXTLKSA-N -1 1 334.388 2.089 20 0 EEADMM CC1(C)CCC(CC(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CC1 ZINC000990974658 694133516 /nfs/dbraw/zinc/13/35/16/694133516.db2.gz JJQGFXLLAIHHTP-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)c1ccc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)s1 ZINC000990976128 694140776 /nfs/dbraw/zinc/14/07/76/694140776.db2.gz DYFDGUFAZZVNFD-UHFFFAOYSA-N -1 1 345.424 2.227 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001029947281 688658683 /nfs/dbraw/zinc/65/86/83/688658683.db2.gz MWVSPSQSJYQOQR-UHFFFAOYSA-N -1 1 347.463 2.071 20 0 EEADMM O=C(/C=C/C1CC1)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000986965970 689140402 /nfs/dbraw/zinc/14/04/02/689140402.db2.gz JKGKBSJVAOMODZ-BOLDSZDNSA-N -1 1 343.427 2.254 20 0 EEADMM CCOC(=O)C1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897419523 689337638 /nfs/dbraw/zinc/33/76/38/689337638.db2.gz CESXMNQUQPDYJH-UHFFFAOYSA-N -1 1 329.352 2.324 20 0 EEADMM COc1cc(CNCc2cnn(C)c2C(=O)[O-])ccc1OC(C)C ZINC000904070144 694283430 /nfs/dbraw/zinc/28/34/30/694283430.db2.gz RPEHEYODAGUCBG-UHFFFAOYSA-N -1 1 333.388 2.204 20 0 EEADMM CC(=O)N[C@H]1CCCCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000987094211 689340801 /nfs/dbraw/zinc/34/08/01/689340801.db2.gz PDEOAQTYNXQUND-AWEZNQCLSA-N -1 1 348.447 2.135 20 0 EEADMM Cc1c([C@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cnn1C ZINC000904048644 694283138 /nfs/dbraw/zinc/28/31/38/694283138.db2.gz RRLKNHREUJWWPS-ZDUSSCGKSA-N -1 1 325.315 2.245 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979237596 694318408 /nfs/dbraw/zinc/31/84/08/694318408.db2.gz HAOSMZCBLIITNP-LJPSSGMGSA-N -1 1 345.443 2.094 20 0 EEADMM COc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccccc2O)n1 ZINC001027761759 694389837 /nfs/dbraw/zinc/38/98/37/694389837.db2.gz QXCJHFLVRTYTEW-OAHLLOKOSA-N -1 1 341.411 2.190 20 0 EEADMM C[C@H](CNC(=O)c1ccc2ccc(O)cc2c1[O-])N1CCCCC1=O ZINC000897521646 690837942 /nfs/dbraw/zinc/83/79/42/690837942.db2.gz LCGUHKJKUGWTII-GFCCVEGCSA-N -1 1 342.395 2.382 20 0 EEADMM Cc1ccsc1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977604261 692813162 /nfs/dbraw/zinc/81/31/62/692813162.db2.gz WSIXTDQXBRDSEI-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C(C)(C)C ZINC000866800501 692891095 /nfs/dbraw/zinc/89/10/95/692891095.db2.gz SKTNSVPLASBNIO-LDYMZIIASA-N -1 1 346.276 2.077 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)C1=CCCC1 ZINC000990522028 692999039 /nfs/dbraw/zinc/99/90/39/692999039.db2.gz PHBSNXZZHZJERF-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM O=C(CC1(CSc2ccccc2)CC1)NCc1nc([O-])cc(=O)[nH]1 ZINC000898757889 693442478 /nfs/dbraw/zinc/44/24/78/693442478.db2.gz UGPZRASTMPJUKK-UHFFFAOYSA-N -1 1 345.424 2.467 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)[C@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000943213035 1192105769 /nfs/dbraw/zinc/10/57/69/1192105769.db2.gz KFOMLDSOXORTFF-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM CCCC[C@H](C(=O)N(C)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001408555259 1178160084 /nfs/dbraw/zinc/16/00/84/1178160084.db2.gz VNLWKYKLTCXCDJ-AWEZNQCLSA-N -1 1 335.448 2.438 20 0 EEADMM CCCN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)CC(C)C ZINC001408868135 1180828261 /nfs/dbraw/zinc/82/82/61/1180828261.db2.gz AILBFDPYNVDVTB-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM O=C(c1ccc([O-])cn1)N1CCC2(CCN(C3CCCC3)C2=O)CC1 ZINC001269354609 1184201320 /nfs/dbraw/zinc/20/13/20/1184201320.db2.gz OJHIGDIXCQPFAI-UHFFFAOYSA-N -1 1 343.427 2.185 20 0 EEADMM O=C(CC1CCC1)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000944916115 1193270694 /nfs/dbraw/zinc/27/06/94/1193270694.db2.gz APNJVONRGQFKKN-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CCCN(C(=O)c1ccco1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001408964288 1184505703 /nfs/dbraw/zinc/50/57/03/1184505703.db2.gz JRJNOOPCAXHOBY-CYBMUJFWSA-N -1 1 343.383 2.147 20 0 EEADMM NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccc3cccnc3c1[O-])C2 ZINC001270019989 1184790365 /nfs/dbraw/zinc/79/03/65/1184790365.db2.gz PIPAMMCATWTBPG-AUUYWEPGSA-N -1 1 339.395 2.058 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945161410 1193407974 /nfs/dbraw/zinc/40/79/74/1193407974.db2.gz PJTHYWVFJGZGHC-YPMHNXCESA-N -1 1 345.424 2.129 20 0 EEADMM Cc1cc(C(=O)N2CCCCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cs1 ZINC001088398459 1186795241 /nfs/dbraw/zinc/79/52/41/1186795241.db2.gz JHVXJUSYQQFFDW-CYBMUJFWSA-N -1 1 349.460 2.055 20 0 EEADMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1nnnn1C1CC1 ZINC001649048942 1193494950 /nfs/dbraw/zinc/49/49/50/1193494950.db2.gz QVYNWGQDKGWEKQ-VIFPVBQESA-N -1 1 339.355 2.063 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001076245137 1188806900 /nfs/dbraw/zinc/80/69/00/1188806900.db2.gz PUQBWTCFFFKCJC-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)[C@@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001409437631 1189675941 /nfs/dbraw/zinc/67/59/41/1189675941.db2.gz AHLUEAFIRMYCFR-CYBMUJFWSA-N -1 1 333.432 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CC[C@@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609199883 1351887392 /nfs/dbraw/zinc/88/73/92/1351887392.db2.gz IHMKYVIUDMZLDS-NEPJUHHUSA-N -1 1 332.408 2.038 20 0 EEADMM CC[C@@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609199883 1351887395 /nfs/dbraw/zinc/88/73/95/1351887395.db2.gz IHMKYVIUDMZLDS-NEPJUHHUSA-N -1 1 332.408 2.038 20 0 EEADMM CC[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001609202150 1351888759 /nfs/dbraw/zinc/88/87/59/1351888759.db2.gz APVRFQHXEFWTMU-WPRPVWTQSA-N -1 1 342.325 2.284 20 0 EEADMM CC[C@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001609202150 1351888762 /nfs/dbraw/zinc/88/87/62/1351888762.db2.gz APVRFQHXEFWTMU-WPRPVWTQSA-N -1 1 342.325 2.284 20 0 EEADMM CCN(Cc1ccncc1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609225256 1351901737 /nfs/dbraw/zinc/90/17/37/1351901737.db2.gz GONUQCXNOVTSAN-UHFFFAOYSA-N -1 1 326.335 2.063 20 0 EEADMM CCN(Cc1ccncc1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609225256 1351901739 /nfs/dbraw/zinc/90/17/39/1351901739.db2.gz GONUQCXNOVTSAN-UHFFFAOYSA-N -1 1 326.335 2.063 20 0 EEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001609281266 1351920437 /nfs/dbraw/zinc/92/04/37/1351920437.db2.gz OSLSKIMWHHKBBQ-UHFFFAOYSA-N -1 1 335.371 2.482 20 0 EEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nc(-c2ccccc2)c[nH]1 ZINC001609281266 1351920440 /nfs/dbraw/zinc/92/04/40/1351920440.db2.gz OSLSKIMWHHKBBQ-UHFFFAOYSA-N -1 1 335.371 2.482 20 0 EEADMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3conc3C)n2)cc1 ZINC001330123295 1334781803 /nfs/dbraw/zinc/78/18/03/1334781803.db2.gz KSZBGGZVWKYMIH-UHFFFAOYSA-N -1 1 332.385 2.304 20 0 EEADMM CCc1ccc(-c2nc(S(=O)(=O)Cc3conc3C)n[n-]2)cc1 ZINC001330123295 1334781805 /nfs/dbraw/zinc/78/18/05/1334781805.db2.gz KSZBGGZVWKYMIH-UHFFFAOYSA-N -1 1 332.385 2.304 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC001609391311 1351957138 /nfs/dbraw/zinc/95/71/38/1351957138.db2.gz DHPYJHPMSWYTMB-BDAKNGLRSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC001609391311 1351957140 /nfs/dbraw/zinc/95/71/40/1351957140.db2.gz DHPYJHPMSWYTMB-BDAKNGLRSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCOc3c(F)cccc32)n1 ZINC001609392272 1351957662 /nfs/dbraw/zinc/95/76/62/1351957662.db2.gz KUJDDVFJAOQBPP-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCOc3c(F)cccc32)n1 ZINC001609392272 1351957663 /nfs/dbraw/zinc/95/76/63/1351957663.db2.gz KUJDDVFJAOQBPP-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC001609427190 1351972072 /nfs/dbraw/zinc/97/20/72/1351972072.db2.gz RYWYTVCIAGUVDJ-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccc(C2=CCN(Cn3cccc(-c4nn[n-]n4)c3=O)CC2)cc1 ZINC001609421591 1351969726 /nfs/dbraw/zinc/96/97/26/1351969726.db2.gz NGFSFXUYVMUXNF-UHFFFAOYSA-N -1 1 348.410 2.084 20 0 EEADMM Cc1ccn(CN2CCCC3(CCCCC3)C2)c(=O)c1-c1nnn[n-]1 ZINC001609437802 1351977144 /nfs/dbraw/zinc/97/71/44/1351977144.db2.gz ARYPALFFGAOGFQ-UHFFFAOYSA-N -1 1 342.447 2.341 20 0 EEADMM Cc1cccc(OC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001609433478 1351974592 /nfs/dbraw/zinc/97/45/92/1351974592.db2.gz GVZPCBBCGWVVPG-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(OC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001609433478 1351974594 /nfs/dbraw/zinc/97/45/94/1351974594.db2.gz GVZPCBBCGWVVPG-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1nnn[n-]1 ZINC001609473107 1351991084 /nfs/dbraw/zinc/99/10/84/1351991084.db2.gz IRLKKTGBNYVHGR-NSHDSACASA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001609473107 1351991087 /nfs/dbraw/zinc/99/10/87/1351991087.db2.gz IRLKKTGBNYVHGR-NSHDSACASA-N -1 1 330.783 2.370 20 0 EEADMM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609544613 1352011908 /nfs/dbraw/zinc/01/19/08/1352011908.db2.gz NXAVZIAIGZKKDH-CQSZACIVSA-N -1 1 349.350 2.076 20 0 EEADMM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609544613 1352011910 /nfs/dbraw/zinc/01/19/10/1352011910.db2.gz NXAVZIAIGZKKDH-CQSZACIVSA-N -1 1 349.350 2.076 20 0 EEADMM COc1cc(F)cc(OC)c1CNCCSC[C@H](C)C(=O)[O-] ZINC001331912948 1335672736 /nfs/dbraw/zinc/67/27/36/1335672736.db2.gz OFUVAXMTRHZMGT-JTQLQIEISA-N -1 1 331.409 2.386 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609545470 1352011995 /nfs/dbraw/zinc/01/19/95/1352011995.db2.gz DCKFWNXAHUYYSJ-GHMZBOCLSA-N -1 1 346.822 2.471 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001609560911 1352016401 /nfs/dbraw/zinc/01/64/01/1352016401.db2.gz RQGIMMGREYTAAM-UHFFFAOYSA-N -1 1 328.307 2.425 20 0 EEADMM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547914 1352012356 /nfs/dbraw/zinc/01/23/56/1352012356.db2.gz ZYATZSSUIIIYGW-RISCZKNCSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547914 1352012359 /nfs/dbraw/zinc/01/23/59/1352012359.db2.gz ZYATZSSUIIIYGW-RISCZKNCSA-N -1 1 347.394 2.067 20 0 EEADMM Cc1nn(-c2ccccn2)c(Cl)c1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001332473818 1335831331 /nfs/dbraw/zinc/83/13/31/1335831331.db2.gz SODLEKPAQOEGRL-NWDGAFQWSA-N -1 1 332.791 2.348 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](Oc2ccccc2)C1 ZINC001609585456 1352028136 /nfs/dbraw/zinc/02/81/36/1352028136.db2.gz PPJWIMAXCJOYOQ-ZDUSSCGKSA-N -1 1 341.396 2.222 20 0 EEADMM CC(C)(N)c1noc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC001609678441 1352056780 /nfs/dbraw/zinc/05/67/80/1352056780.db2.gz KIELFMVFWKPPST-QWHCGFSZSA-N -1 1 336.436 2.119 20 0 EEADMM CCC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001609882933 1352110582 /nfs/dbraw/zinc/11/05/82/1352110582.db2.gz KTPFUIYDWWCUIX-YMTOWFKASA-N -1 1 328.771 2.205 20 0 EEADMM CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609927322 1352121964 /nfs/dbraw/zinc/12/19/64/1352121964.db2.gz YMAMJVCYBQFJRL-RDJZCZTQSA-N -1 1 347.459 2.198 20 0 EEADMM CCCCN(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001609967862 1352132718 /nfs/dbraw/zinc/13/27/18/1352132718.db2.gz CIDSDUFDOPPKSR-LLVKDONJSA-N -1 1 336.388 2.230 20 0 EEADMM CCCN(C(=O)NCCc1cccc(C(=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC001609974150 1352133209 /nfs/dbraw/zinc/13/32/09/1352133209.db2.gz VWEKJZORHNSMCR-INIZCTEOSA-N -1 1 333.432 2.053 20 0 EEADMM CC(C)=CCOc1cccc(CC(=O)N2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001347973132 1337528793 /nfs/dbraw/zinc/52/87/93/1337528793.db2.gz BWSGKNBRULBBKS-HNNXBMFYSA-N -1 1 341.415 2.103 20 0 EEADMM CCOC(=O)C1CCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001610015396 1352141197 /nfs/dbraw/zinc/14/11/97/1352141197.db2.gz YFFVWWPIBQNGCF-ZDUSSCGKSA-N -1 1 335.400 2.314 20 0 EEADMM CCOc1ccc(-c2noc(CN[C@H]3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC001610040504 1352147693 /nfs/dbraw/zinc/14/76/93/1352147693.db2.gz HBNLAXAQIPBATE-KBPBESRZSA-N -1 1 331.372 2.478 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1ccsc1 ZINC000847283731 1337929979 /nfs/dbraw/zinc/92/99/79/1337929979.db2.gz XMVNAGMDHDDZCK-MWLCHTKSSA-N -1 1 349.378 2.489 20 0 EEADMM O=C(c1cc(F)c(Cl)cc1Cl)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352596537 1337993195 /nfs/dbraw/zinc/99/31/95/1337993195.db2.gz QQOLQQUBYOEUCW-LURJTMIESA-N -1 1 330.150 2.275 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC2(CCO2)CC1 ZINC001352711049 1338041492 /nfs/dbraw/zinc/04/14/92/1338041492.db2.gz BVSDWFOFIVOFGV-UHFFFAOYSA-N -1 1 349.822 2.478 20 0 EEADMM CNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC001200798866 1338629465 /nfs/dbraw/zinc/62/94/65/1338629465.db2.gz QNWSKAJVUDNGLZ-UHFFFAOYSA-N -1 1 340.351 2.434 20 0 EEADMM COc1ncc(CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c(C)n1 ZINC001610370363 1352212387 /nfs/dbraw/zinc/21/23/87/1352212387.db2.gz BKVFWUDEBVKWCL-KRWDZBQOSA-N -1 1 333.363 2.412 20 0 EEADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001610403665 1352217367 /nfs/dbraw/zinc/21/73/67/1352217367.db2.gz HOSYSPORWRINQL-ZDUSSCGKSA-N -1 1 346.774 2.279 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc(Cl)nc2C)cc1C(=O)[O-] ZINC001610556604 1352244171 /nfs/dbraw/zinc/24/41/71/1352244171.db2.gz PSNFZOCERSFFNA-UHFFFAOYSA-N -1 1 341.776 2.246 20 0 EEADMM O=C([O-])C[C@@]1(NCc2nccn2Cc2ccccc2)CCCOC1 ZINC001610759083 1352270045 /nfs/dbraw/zinc/27/00/45/1352270045.db2.gz BKPWKDQXTORDJO-SFHVURJKSA-N -1 1 329.400 2.045 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@H]3CCC[C@H]3C2=O)C[C@@H]1c1ccccc1 ZINC001610802779 1352277313 /nfs/dbraw/zinc/27/73/13/1352277313.db2.gz VSBDXUAGMMMXDT-QBPKDAKJSA-N -1 1 328.412 2.003 20 0 EEADMM CC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)C(C)(C)CC ZINC001430589968 1340262902 /nfs/dbraw/zinc/26/29/02/1340262902.db2.gz PXECYPUBVFVAEI-GFCCVEGCSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)[C@H](CNC(=O)c1cccs1)NC(=O)c1ncccc1[O-] ZINC001431201415 1340499693 /nfs/dbraw/zinc/49/96/93/1340499693.db2.gz PXNPCMSZEPABNT-NSHDSACASA-N -1 1 333.413 2.033 20 0 EEADMM Cc1cc(OCc2ccccc2)c(C(=O)N(C)c2nn[n-]n2)s1 ZINC001617641996 1352343126 /nfs/dbraw/zinc/34/31/26/1352343126.db2.gz ISIIFGZBPGBBPP-UHFFFAOYSA-N -1 1 329.385 2.425 20 0 EEADMM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1ccc(F)cc1 ZINC000016125391 1352354091 /nfs/dbraw/zinc/35/40/91/1352354091.db2.gz MDQRZULFJCDCHN-UHFFFAOYSA-N -1 1 336.388 2.463 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 ZINC001433627723 1341642492 /nfs/dbraw/zinc/64/24/92/1341642492.db2.gz RVGZDIHQVIKWMG-UHFFFAOYSA-N -1 1 344.367 2.120 20 0 EEADMM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H](CO)C2)c1 ZINC001608870952 1342328417 /nfs/dbraw/zinc/32/84/17/1342328417.db2.gz XPAQPWIYOUAAPK-SNVBAGLBSA-N -1 1 328.206 2.352 20 0 EEADMM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3ccoc3)on2)cc1 ZINC001561736473 1342530056 /nfs/dbraw/zinc/53/00/56/1342530056.db2.gz HIQKYQHHDDTRTP-UHFFFAOYSA-N -1 1 334.353 2.422 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc(C)c2c[nH]nc21)c1nn[n-]n1 ZINC001562342935 1342536664 /nfs/dbraw/zinc/53/66/64/1342536664.db2.gz VKKIVGKJZTZBHS-NSHDSACASA-N -1 1 346.420 2.000 20 0 EEADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)no1 ZINC001574408514 1343675306 /nfs/dbraw/zinc/67/53/06/1343675306.db2.gz CMKYNUSSMFIRPQ-UHFFFAOYSA-N -1 1 333.739 2.279 20 0 EEADMM CC(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc(=O)[nH]1 ZINC001574410636 1343675376 /nfs/dbraw/zinc/67/53/76/1343675376.db2.gz XMAHKQYURNGCCJ-UHFFFAOYSA-N -1 1 344.400 2.082 20 0 EEADMM CC[C@H](C)Oc1cc(NCc2ccnc(-c3nnn[n-]3)c2)nc(C)n1 ZINC001576682165 1344047833 /nfs/dbraw/zinc/04/78/33/1344047833.db2.gz BLPQKCNMOIODLS-JTQLQIEISA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@H](C)Oc1cc(NCc2ccnc(-c3nn[n-]n3)c2)nc(C)n1 ZINC001576682165 1344047837 /nfs/dbraw/zinc/04/78/37/1344047837.db2.gz BLPQKCNMOIODLS-JTQLQIEISA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H](O)c1ccccc1F ZINC001576999089 1344081730 /nfs/dbraw/zinc/08/17/30/1344081730.db2.gz MUUVPKKIUDVGTM-IUODEOHRSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H](O)c1ccccc1F ZINC001576999089 1344081733 /nfs/dbraw/zinc/08/17/33/1344081733.db2.gz MUUVPKKIUDVGTM-IUODEOHRSA-N -1 1 343.366 2.028 20 0 EEADMM CCCC(=O)N[C@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577202975 1344103260 /nfs/dbraw/zinc/10/32/60/1344103260.db2.gz MIAASOPCSGWDFS-RKDXNWHRSA-N -1 1 337.453 2.127 20 0 EEADMM CCc1cccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001578529851 1344288453 /nfs/dbraw/zinc/28/84/53/1344288453.db2.gz CEEWVUCJNMOTJS-UHFFFAOYSA-N -1 1 344.325 2.032 20 0 EEADMM CCc1cccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001578529851 1344288457 /nfs/dbraw/zinc/28/84/57/1344288457.db2.gz CEEWVUCJNMOTJS-UHFFFAOYSA-N -1 1 344.325 2.032 20 0 EEADMM CN(C)c1ccc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1F ZINC001578998002 1344328314 /nfs/dbraw/zinc/32/83/14/1344328314.db2.gz GXBDFDLFDKRWMF-UHFFFAOYSA-N -1 1 340.366 2.483 20 0 EEADMM CN(C)c1ccc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1F ZINC001578998002 1344328322 /nfs/dbraw/zinc/32/83/22/1344328322.db2.gz GXBDFDLFDKRWMF-UHFFFAOYSA-N -1 1 340.366 2.483 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccsc2-c2nnn[n-]2)cc1F ZINC001579996787 1344446518 /nfs/dbraw/zinc/44/65/18/1344446518.db2.gz CGQTZFUTBVPCKK-UHFFFAOYSA-N -1 1 347.375 2.348 20 0 EEADMM COc1ccc(CN(C)C(=O)c2ccsc2-c2nn[n-]n2)cc1F ZINC001579996787 1344446520 /nfs/dbraw/zinc/44/65/20/1344446520.db2.gz CGQTZFUTBVPCKK-UHFFFAOYSA-N -1 1 347.375 2.348 20 0 EEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001581175887 1344594570 /nfs/dbraw/zinc/59/45/70/1344594570.db2.gz HKWQOPSRKUXSSR-JTQLQIEISA-N -1 1 349.441 2.276 20 0 EEADMM O=C(CCCc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582047040 1344695104 /nfs/dbraw/zinc/69/51/04/1344695104.db2.gz MVHPTZOFPYIWLI-UHFFFAOYSA-N -1 1 331.767 2.205 20 0 EEADMM O=C(CCCc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582047040 1344695107 /nfs/dbraw/zinc/69/51/07/1344695107.db2.gz MVHPTZOFPYIWLI-UHFFFAOYSA-N -1 1 331.767 2.205 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1c(F)cccc1F ZINC001582133341 1344704605 /nfs/dbraw/zinc/70/46/05/1344704605.db2.gz ATIKXTCVNKQZEZ-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1c(F)cccc1F ZINC001582133341 1344704609 /nfs/dbraw/zinc/70/46/09/1344704609.db2.gz ATIKXTCVNKQZEZ-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1ccsc1-c1nnn[n-]1 ZINC001582327761 1344732632 /nfs/dbraw/zinc/73/26/32/1344732632.db2.gz IPDKGJCXDOFNNQ-LBPRGKRZSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1ccsc1-c1nn[n-]n1 ZINC001582327761 1344732636 /nfs/dbraw/zinc/73/26/36/1344732636.db2.gz IPDKGJCXDOFNNQ-LBPRGKRZSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@]12C[C@@H]1CCCC2 ZINC001582549615 1344761111 /nfs/dbraw/zinc/76/11/11/1344761111.db2.gz HDVHVPPEOSHUIQ-ZUZCIYMTSA-N -1 1 332.433 2.308 20 0 EEADMM O=C(Nc1ncc(C(F)(F)F)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001582653493 1344778244 /nfs/dbraw/zinc/77/82/44/1344778244.db2.gz OBQXCTREMHWGMK-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOc2c(F)cc(F)cc21 ZINC001582745248 1344788676 /nfs/dbraw/zinc/78/86/76/1344788676.db2.gz VDRHRBAXDQVPHK-UHFFFAOYSA-N -1 1 349.322 2.246 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)CCO2)c1 ZINC001582820469 1344798538 /nfs/dbraw/zinc/79/85/38/1344798538.db2.gz ILOGYOVQBCYNPQ-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)CCO2)c1 ZINC001582820469 1344798544 /nfs/dbraw/zinc/79/85/44/1344798544.db2.gz ILOGYOVQBCYNPQ-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1coc(-c2cccnc2)n1 ZINC001584800655 1348763383 /nfs/dbraw/zinc/76/33/83/1348763383.db2.gz WNOXDIFKHFVLQE-UHFFFAOYSA-N -1 1 337.339 2.363 20 0 EEADMM CC(C)(C)OCCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589193905 1348968772 /nfs/dbraw/zinc/96/87/72/1348968772.db2.gz LBAOLZXFPKAUOM-UHFFFAOYSA-N -1 1 333.396 2.001 20 0 EEADMM CC(C)[C@H](CO)[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001589460999 1348991778 /nfs/dbraw/zinc/99/17/78/1348991778.db2.gz UWGOUITULTVKHT-WFASDCNBSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@H](CO)[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001589460999 1348991781 /nfs/dbraw/zinc/99/17/81/1348991781.db2.gz UWGOUITULTVKHT-WFASDCNBSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589550334 1349003269 /nfs/dbraw/zinc/00/32/69/1349003269.db2.gz FKCGMWQEXFGHDD-LBPRGKRZSA-N -1 1 333.392 2.146 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589550334 1349003271 /nfs/dbraw/zinc/00/32/71/1349003271.db2.gz FKCGMWQEXFGHDD-LBPRGKRZSA-N -1 1 333.392 2.146 20 0 EEADMM CC(C)CN(CC(C)C)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001589619400 1349012329 /nfs/dbraw/zinc/01/23/29/1349012329.db2.gz INKHNUZYYNUJHF-UHFFFAOYSA-N -1 1 348.476 2.494 20 0 EEADMM CC(C)CN(CC(C)C)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001589619400 1349012332 /nfs/dbraw/zinc/01/23/32/1349012332.db2.gz INKHNUZYYNUJHF-UHFFFAOYSA-N -1 1 348.476 2.494 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001589758282 1349031647 /nfs/dbraw/zinc/03/16/47/1349031647.db2.gz XYUCASGKMHZYDZ-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001589758282 1349031652 /nfs/dbraw/zinc/03/16/52/1349031652.db2.gz XYUCASGKMHZYDZ-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)c1ccccc1OS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001589772228 1349035537 /nfs/dbraw/zinc/03/55/37/1349035537.db2.gz GAMRQNCVTDHCNG-UHFFFAOYSA-N -1 1 345.384 2.153 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(-n2cccn2)c1 ZINC001589987017 1349093716 /nfs/dbraw/zinc/09/37/16/1349093716.db2.gz BHJSKCHCWQPSGO-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(-n2cccn2)c1 ZINC001589987017 1349093724 /nfs/dbraw/zinc/09/37/24/1349093724.db2.gz BHJSKCHCWQPSGO-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@](O)(CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589989278 1349095682 /nfs/dbraw/zinc/09/56/82/1349095682.db2.gz BKPWWGBZRHTSBR-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@](O)(CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589989278 1349095687 /nfs/dbraw/zinc/09/56/87/1349095687.db2.gz BKPWWGBZRHTSBR-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)N1CCCCCC1 ZINC001590033048 1349118135 /nfs/dbraw/zinc/11/81/35/1349118135.db2.gz ILUIWWBBLNAPRX-LLVKDONJSA-N -1 1 335.433 2.484 20 0 EEADMM C[C@@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)N1CCCCCC1 ZINC001590033048 1349118150 /nfs/dbraw/zinc/11/81/50/1349118150.db2.gz ILUIWWBBLNAPRX-LLVKDONJSA-N -1 1 335.433 2.484 20 0 EEADMM CC1(C)CCC[C@]1(O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590098425 1349153993 /nfs/dbraw/zinc/15/39/93/1349153993.db2.gz RJWVXIIPVARNDR-KRWDZBQOSA-N -1 1 339.403 2.163 20 0 EEADMM CC1(C)CCC[C@]1(O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590098425 1349153999 /nfs/dbraw/zinc/15/39/99/1349153999.db2.gz RJWVXIIPVARNDR-KRWDZBQOSA-N -1 1 339.403 2.163 20 0 EEADMM CC1(C)OCC[C@@H]1Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590117020 1349162085 /nfs/dbraw/zinc/16/20/85/1349162085.db2.gz FUEBZWSANARDHO-VIFPVBQESA-N -1 1 328.298 2.260 20 0 EEADMM CC1(C)OCC[C@@H]1Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590117020 1349162095 /nfs/dbraw/zinc/16/20/95/1349162095.db2.gz FUEBZWSANARDHO-VIFPVBQESA-N -1 1 328.298 2.260 20 0 EEADMM CC1(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC001590123549 1349164941 /nfs/dbraw/zinc/16/49/41/1349164941.db2.gz PMAXMCBEDYLVDK-UHFFFAOYSA-N -1 1 341.350 2.320 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1ccnc(-c2nn[n-]n2)n1 ZINC001590180263 1349183750 /nfs/dbraw/zinc/18/37/50/1349183750.db2.gz OIDPSVUVXFDYOB-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590189430 1349190145 /nfs/dbraw/zinc/19/01/45/1349190145.db2.gz CHWOXFUURYFIRC-CBAPKCEASA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590189430 1349190156 /nfs/dbraw/zinc/19/01/56/1349190156.db2.gz CHWOXFUURYFIRC-CBAPKCEASA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[C@H](C)O1 ZINC001590195204 1349194077 /nfs/dbraw/zinc/19/40/77/1349194077.db2.gz YNSVMGQIPVZIOT-OUAUKWLOSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@@H]1C[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[C@H](C)O1 ZINC001590195204 1349194088 /nfs/dbraw/zinc/19/40/88/1349194088.db2.gz YNSVMGQIPVZIOT-OUAUKWLOSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@H]1CCC[C@@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590245059 1349222656 /nfs/dbraw/zinc/22/26/56/1349222656.db2.gz SEQABGIETLFZKN-VHSXEESVSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1CCC[C@@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590245059 1349222665 /nfs/dbraw/zinc/22/26/65/1349222665.db2.gz SEQABGIETLFZKN-VHSXEESVSA-N -1 1 335.437 2.091 20 0 EEADMM C[C@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251889 1349227229 /nfs/dbraw/zinc/22/72/29/1349227229.db2.gz JNKDXRPWXKTDIV-JSGCOSHPSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CCCC[C@H]1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251889 1349227234 /nfs/dbraw/zinc/22/72/34/1349227234.db2.gz JNKDXRPWXKTDIV-JSGCOSHPSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C ZINC001590266568 1349240396 /nfs/dbraw/zinc/24/03/96/1349240396.db2.gz DHZCTRFPFKITIY-RNFRBKRXSA-N -1 1 341.828 2.486 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](c2ccco2)C1 ZINC001590269929 1349241273 /nfs/dbraw/zinc/24/12/73/1349241273.db2.gz IKTPZILHLWMCSY-BXUZGUMPSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccco2)C1 ZINC001590269929 1349241281 /nfs/dbraw/zinc/24/12/81/1349241281.db2.gz IKTPZILHLWMCSY-BXUZGUMPSA-N -1 1 338.371 2.468 20 0 EEADMM CC1CCN(c2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC001590274250 1349243013 /nfs/dbraw/zinc/24/30/13/1349243013.db2.gz HMNPUIDOXMZDCN-UHFFFAOYSA-N -1 1 336.403 2.059 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001590298172 1349249918 /nfs/dbraw/zinc/24/99/18/1349249918.db2.gz SNKRRRBARFFISL-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001590298172 1349249931 /nfs/dbraw/zinc/24/99/31/1349249931.db2.gz SNKRRRBARFFISL-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM CC[C@@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590368648 1349287702 /nfs/dbraw/zinc/28/77/02/1349287702.db2.gz HKBKUKGEJOTVCR-GFCCVEGCSA-N -1 1 341.375 2.039 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)ccn1 ZINC001590417446 1349313591 /nfs/dbraw/zinc/31/35/91/1349313591.db2.gz UWVCTBAWXDRNIK-NSHDSACASA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)ccn1 ZINC001590417446 1349313596 /nfs/dbraw/zinc/31/35/96/1349313596.db2.gz UWVCTBAWXDRNIK-NSHDSACASA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001590423838 1349317272 /nfs/dbraw/zinc/31/72/72/1349317272.db2.gz WNMVDVLNVICDAZ-GFCCVEGCSA-N -1 1 339.403 2.431 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001590423838 1349317278 /nfs/dbraw/zinc/31/72/78/1349317278.db2.gz WNMVDVLNVICDAZ-GFCCVEGCSA-N -1 1 339.403 2.431 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001590538994 1349365736 /nfs/dbraw/zinc/36/57/36/1349365736.db2.gz WORAHHGTHAQKQG-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001590538994 1349365743 /nfs/dbraw/zinc/36/57/43/1349365743.db2.gz WORAHHGTHAQKQG-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591480153 1349489945 /nfs/dbraw/zinc/48/99/45/1349489945.db2.gz WMVPJZQECPLQBZ-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591480153 1349489946 /nfs/dbraw/zinc/48/99/46/1349489946.db2.gz WMVPJZQECPLQBZ-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1ccc2[nH]c(NC(=O)c3cccc(-c4nnn[n-]4)n3)cc2c1 ZINC001591625203 1349519224 /nfs/dbraw/zinc/51/92/24/1349519224.db2.gz XSUUMPYZBOFRFT-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccc2[nH]c(NC(=O)c3cccc(-c4nn[n-]n4)n3)cc2c1 ZINC001591625203 1349519226 /nfs/dbraw/zinc/51/92/26/1349519226.db2.gz XSUUMPYZBOFRFT-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1cccc2c1CCN(C(=O)c1csc(-c3nn[n-]n3)c1)C2 ZINC001591643089 1349519977 /nfs/dbraw/zinc/51/99/77/1349519977.db2.gz XBFOCFBJZNWURT-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1cccc2c1CCC[C@H](Nc1cc(-c3nnn[n-]3)ncn1)C2 ZINC001591642742 1349521356 /nfs/dbraw/zinc/52/13/56/1349521356.db2.gz JACXFXYZFYBITJ-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM COc1cccc2c1CCC[C@H](Nc1cc(-c3nn[n-]n3)ncn1)C2 ZINC001591642742 1349521363 /nfs/dbraw/zinc/52/13/63/1349521363.db2.gz JACXFXYZFYBITJ-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM CSc1cccc(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591716616 1349534354 /nfs/dbraw/zinc/53/43/54/1349534354.db2.gz VQZRRFFUDAOMTO-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1cccc(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001591716616 1349534362 /nfs/dbraw/zinc/53/43/62/1349534362.db2.gz VQZRRFFUDAOMTO-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM Cc1ccc(F)cc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001592173659 1349601913 /nfs/dbraw/zinc/60/19/13/1349601913.db2.gz ZRHVJEVTMSRPFJ-UHFFFAOYSA-N -1 1 325.347 2.013 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592198828 1349605978 /nfs/dbraw/zinc/60/59/78/1349605978.db2.gz ZPDDWBKACIZSRO-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592198828 1349605996 /nfs/dbraw/zinc/60/59/96/1349605996.db2.gz ZPDDWBKACIZSRO-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1ccc2ccccc2c1OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592206997 1349609383 /nfs/dbraw/zinc/60/93/83/1349609383.db2.gz UEHATFLNWKEUSN-LLVKDONJSA-N -1 1 349.354 2.086 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592227542 1349612005 /nfs/dbraw/zinc/61/20/05/1349612005.db2.gz HYZFJLCHSMYZRC-LBPRGKRZSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592227542 1349612006 /nfs/dbraw/zinc/61/20/06/1349612006.db2.gz HYZFJLCHSMYZRC-LBPRGKRZSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC001592434478 1349632019 /nfs/dbraw/zinc/63/20/19/1349632019.db2.gz VYTKGWIBEXUVAA-UHFFFAOYSA-N -1 1 347.382 2.243 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC001592434478 1349632020 /nfs/dbraw/zinc/63/20/20/1349632020.db2.gz VYTKGWIBEXUVAA-UHFFFAOYSA-N -1 1 347.382 2.243 20 0 EEADMM Cc1nsc(NC(=O)CCO[C@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC001592478743 1349635985 /nfs/dbraw/zinc/63/59/85/1349635985.db2.gz GNTHYWQQDBJNQO-SECBINFHSA-N -1 1 338.437 2.411 20 0 EEADMM Cc1nsc(NC(=O)CCO[C@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001592478743 1349635986 /nfs/dbraw/zinc/63/59/86/1349635986.db2.gz GNTHYWQQDBJNQO-SECBINFHSA-N -1 1 338.437 2.411 20 0 EEADMM Cc1nsc(N[C@@H](C)CN(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592484594 1349636495 /nfs/dbraw/zinc/63/64/95/1349636495.db2.gz LTTPTACCDZGOGO-VIFPVBQESA-N -1 1 347.448 2.001 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(Cl)(Cl)Cl ZINC001592502041 1349638026 /nfs/dbraw/zinc/63/80/26/1349638026.db2.gz OZDAMUFFFCTTPO-UHFFFAOYSA-N -1 1 325.539 2.295 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(Cl)(Cl)Cl ZINC001592502041 1349638027 /nfs/dbraw/zinc/63/80/27/1349638027.db2.gz OZDAMUFFFCTTPO-UHFFFAOYSA-N -1 1 325.539 2.295 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC001592502454 1349638060 /nfs/dbraw/zinc/63/80/60/1349638060.db2.gz GLUISTSLMBVMRF-MRVPVSSYSA-N -1 1 327.348 2.188 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC001592502454 1349638061 /nfs/dbraw/zinc/63/80/61/1349638061.db2.gz GLUISTSLMBVMRF-MRVPVSSYSA-N -1 1 327.348 2.188 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@]1(O)CCCC(C)(C)C1 ZINC001592504031 1349640028 /nfs/dbraw/zinc/64/00/28/1349640028.db2.gz QOXIGDOBQYCMJR-MRXNPFEDSA-N -1 1 334.376 2.256 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@]1(O)CCCC(C)(C)C1 ZINC001592504031 1349640030 /nfs/dbraw/zinc/64/00/30/1349640030.db2.gz QOXIGDOBQYCMJR-MRXNPFEDSA-N -1 1 334.376 2.256 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC(C)(C)CF ZINC001592505098 1349642909 /nfs/dbraw/zinc/64/29/09/1349642909.db2.gz QAIIOGCXQKHVQS-UHFFFAOYSA-N -1 1 332.339 2.037 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC(C)(C)CF ZINC001592505098 1349642918 /nfs/dbraw/zinc/64/29/18/1349642918.db2.gz QAIIOGCXQKHVQS-UHFFFAOYSA-N -1 1 332.339 2.037 20 0 EEADMM Cc1onc(Cc2nnc(-c3ccccc3Cl)o2)c1-c1nnn[n-]1 ZINC001592517140 1349644492 /nfs/dbraw/zinc/64/44/92/1349644492.db2.gz WHHZGYUCQTXUNX-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM Cc1onc(Cc2nnc(-c3ccccc3Cl)o2)c1-c1nn[n-]n1 ZINC001592517140 1349644493 /nfs/dbraw/zinc/64/44/93/1349644493.db2.gz WHHZGYUCQTXUNX-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM Cl/C=C(\Cl)CN1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592523726 1349646329 /nfs/dbraw/zinc/64/63/29/1349646329.db2.gz JUXSJVWUTMJITF-CLFYSBASSA-N -1 1 345.259 2.369 20 0 EEADMM Clc1nc(Oc2cccc(-n3ccnn3)c2)sc1-c1nnn[n-]1 ZINC001592538438 1349652321 /nfs/dbraw/zinc/65/23/21/1349652321.db2.gz IXESLMAVTJKAOZ-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nc(Oc2cccc(-n3ccnn3)c2)sc1-c1nn[n-]n1 ZINC001592538438 1349652323 /nfs/dbraw/zinc/65/23/23/1349652323.db2.gz IXESLMAVTJKAOZ-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nc(-c2ccccc2)nn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001592540446 1349652988 /nfs/dbraw/zinc/65/29/88/1349652988.db2.gz LPSYFMHMUDKPBC-UHFFFAOYSA-N -1 1 344.791 2.283 20 0 EEADMM Clc1nc(-c2ccccc2)nn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001592540446 1349652990 /nfs/dbraw/zinc/65/29/90/1349652990.db2.gz LPSYFMHMUDKPBC-UHFFFAOYSA-N -1 1 344.791 2.283 20 0 EEADMM Clc1sc(N2CCCC[C@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001592541762 1349654208 /nfs/dbraw/zinc/65/42/08/1349654208.db2.gz NEBHPAXXMFRBHM-QMMMGPOBSA-N -1 1 336.812 2.431 20 0 EEADMM Fc1cccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c1F ZINC001592656938 1349701219 /nfs/dbraw/zinc/70/12/19/1349701219.db2.gz YDZCEAXJGMYWEX-UHFFFAOYSA-N -1 1 339.309 2.452 20 0 EEADMM Fc1cccc(F)c1Cc1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592658104 1349703126 /nfs/dbraw/zinc/70/31/26/1349703126.db2.gz VUPDQFNCOKMLTK-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1cccc(F)c1Cc1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592658104 1349703131 /nfs/dbraw/zinc/70/31/31/1349703131.db2.gz VUPDQFNCOKMLTK-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM O=C(CC1CC(F)(F)C1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592811847 1349716350 /nfs/dbraw/zinc/71/63/50/1349716350.db2.gz CAEKCTACYGYBGB-UHFFFAOYSA-N -1 1 334.739 2.351 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC2(CCC2)CC1 ZINC001593137508 1349740140 /nfs/dbraw/zinc/74/01/40/1349740140.db2.gz GRJSVSPLRFFDQW-UHFFFAOYSA-N -1 1 332.433 2.404 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(Cc2ccc(F)cc2)CC1 ZINC001593243888 1349748431 /nfs/dbraw/zinc/74/84/31/1349748431.db2.gz QPRIUAGGHNOJSH-UHFFFAOYSA-N -1 1 338.346 2.362 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(Cc2ccc(F)cc2)CC1 ZINC001593243888 1349748433 /nfs/dbraw/zinc/74/84/33/1349748433.db2.gz QPRIUAGGHNOJSH-UHFFFAOYSA-N -1 1 338.346 2.362 20 0 EEADMM O=C(Nc1ccn(C2CCCCC2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593254389 1349751737 /nfs/dbraw/zinc/75/17/37/1349751737.db2.gz WEZSQCARCHNYIT-UHFFFAOYSA-N -1 1 327.348 2.414 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC[C@H](CF)C1 ZINC001593264127 1349755077 /nfs/dbraw/zinc/75/50/77/1349755077.db2.gz LTVFUMIQQLHCBB-ZCFIWIBFSA-N -1 1 345.791 2.190 20 0 EEADMM O=C(OCCOc1cccc(Cl)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593291129 1349767340 /nfs/dbraw/zinc/76/73/40/1349767340.db2.gz YGCHAHWKMFAAGQ-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCCOc1cccc(Cl)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593291129 1349767342 /nfs/dbraw/zinc/76/73/42/1349767342.db2.gz YGCHAHWKMFAAGQ-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ncoc1-c1ccccc1 ZINC001593301479 1349774339 /nfs/dbraw/zinc/77/43/39/1349774339.db2.gz JHKBEBCJWRNGKC-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ncoc1-c1ccccc1 ZINC001593301479 1349774344 /nfs/dbraw/zinc/77/43/44/1349774344.db2.gz JHKBEBCJWRNGKC-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593309095 1349777531 /nfs/dbraw/zinc/77/75/31/1349777531.db2.gz XIPLWLFIQYWEJR-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593309095 1349777535 /nfs/dbraw/zinc/77/75/35/1349777535.db2.gz XIPLWLFIQYWEJR-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](C2CCCCC2)C1 ZINC001593337373 1349783494 /nfs/dbraw/zinc/78/34/94/1349783494.db2.gz ZVYIIWDTYIJVDE-AWEZNQCLSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](C2CCCCC2)C1 ZINC001593337373 1349783496 /nfs/dbraw/zinc/78/34/96/1349783496.db2.gz ZVYIIWDTYIJVDE-AWEZNQCLSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(Cc1ccco1)CC(F)(F)F ZINC001593340193 1349784876 /nfs/dbraw/zinc/78/48/76/1349784876.db2.gz FNMURMDTFUHKNJ-UHFFFAOYSA-N -1 1 341.249 2.257 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(Cc1ccco1)CC(F)(F)F ZINC001593340193 1349784879 /nfs/dbraw/zinc/78/48/79/1349784879.db2.gz FNMURMDTFUHKNJ-UHFFFAOYSA-N -1 1 341.249 2.257 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H]1COc1ccccc1 ZINC001593339464 1349785030 /nfs/dbraw/zinc/78/50/30/1349785030.db2.gz RZRLPYGYJSTESC-LBPRGKRZSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H]1COc1ccccc1 ZINC001593339464 1349785035 /nfs/dbraw/zinc/78/50/35/1349785035.db2.gz RZRLPYGYJSTESC-LBPRGKRZSA-N -1 1 339.355 2.143 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCSC2(CCCCC2)C1 ZINC001593369422 1349791884 /nfs/dbraw/zinc/79/18/84/1349791884.db2.gz KWIPJGZRQONKLR-UHFFFAOYSA-N -1 1 333.417 2.352 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCSC2(CCCCC2)C1 ZINC001593369422 1349791888 /nfs/dbraw/zinc/79/18/88/1349791888.db2.gz KWIPJGZRQONKLR-UHFFFAOYSA-N -1 1 333.417 2.352 20 0 EEADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cccc(-c2nn[nH]n2)c1 ZINC001593445168 1349801190 /nfs/dbraw/zinc/80/11/90/1349801190.db2.gz NBASTNCBVUQICY-UHFFFAOYSA-N -1 1 340.368 2.149 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCSc1cccc(Cl)c1 ZINC001593492839 1349818065 /nfs/dbraw/zinc/81/80/65/1349818065.db2.gz QDQGRTQUHMQULY-UHFFFAOYSA-N -1 1 333.804 2.474 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1c(F)cccc1F)CCCC2 ZINC001593492695 1349818814 /nfs/dbraw/zinc/81/88/14/1349818814.db2.gz VJTFYZAOGMKVNF-UHFFFAOYSA-N -1 1 343.337 2.234 20 0 EEADMM OC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCCC1 ZINC001593526749 1349830747 /nfs/dbraw/zinc/83/07/47/1349830747.db2.gz OBGSADKUWLWTPJ-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001593496808 1349820591 /nfs/dbraw/zinc/82/05/91/1349820591.db2.gz YNPBBWWVMDXSDN-HOTGVXAUSA-N -1 1 337.383 2.339 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001593550263 1349843191 /nfs/dbraw/zinc/84/31/91/1349843191.db2.gz PUWURZGVRNHJHU-LLVKDONJSA-N -1 1 347.338 2.226 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001593550263 1349843195 /nfs/dbraw/zinc/84/31/95/1349843195.db2.gz PUWURZGVRNHJHU-LLVKDONJSA-N -1 1 347.338 2.226 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c1 ZINC001593550448 1349844718 /nfs/dbraw/zinc/84/47/18/1349844718.db2.gz VMHXPKRVEDGOMG-UHFFFAOYSA-N -1 1 345.366 2.391 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c1 ZINC001593550448 1349844722 /nfs/dbraw/zinc/84/47/22/1349844722.db2.gz VMHXPKRVEDGOMG-UHFFFAOYSA-N -1 1 345.366 2.391 20 0 EEADMM c1ccc(-c2cccc(CCNc3ccnc(-c4nn[n-]n4)n3)c2)cc1 ZINC001593568456 1349853741 /nfs/dbraw/zinc/85/37/41/1349853741.db2.gz JZARMRQSZNWHED-UHFFFAOYSA-N -1 1 343.394 2.400 20 0 EEADMM c1ccc2c(c1)OCC[C@@H]2c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593579555 1349861037 /nfs/dbraw/zinc/86/10/37/1349861037.db2.gz JGFVQXOQUTUYRN-LBPRGKRZSA-N -1 1 347.338 2.226 20 0 EEADMM c1ccc2c(c1)OCC[C@@H]2c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593579555 1349861041 /nfs/dbraw/zinc/86/10/41/1349861041.db2.gz JGFVQXOQUTUYRN-LBPRGKRZSA-N -1 1 347.338 2.226 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001593581877 1349863591 /nfs/dbraw/zinc/86/35/91/1349863591.db2.gz YCOFTAXHLNAUGW-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001593581877 1349863593 /nfs/dbraw/zinc/86/35/93/1349863593.db2.gz YCOFTAXHLNAUGW-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM Cc1cc(CCC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])n[nH]1 ZINC001600188308 1349988072 /nfs/dbraw/zinc/98/80/72/1349988072.db2.gz KKLLYJPLYXVDTI-HNNXBMFYSA-N -1 1 341.367 2.209 20 0 EEADMM Cc1cc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc(C(=O)[O-])c1 ZINC001600269508 1350006964 /nfs/dbraw/zinc/00/69/64/1350006964.db2.gz PNRRHFRKFYBFBV-GJZGRUSLSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2n1CCN[C@H]2C ZINC001600290084 1350012193 /nfs/dbraw/zinc/01/21/93/1350012193.db2.gz RRAGQNXGJXGFEL-LBPRGKRZSA-N -1 1 343.383 2.176 20 0 EEADMM Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC001600389024 1350037985 /nfs/dbraw/zinc/03/79/85/1350037985.db2.gz VOBRNYMOXRGXLU-OFQRWUPVSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccc(C=Cc2n[nH]c(SC[C@H]3CC(C(=O)[O-])=NO3)n2)o1 ZINC001600397585 1350040607 /nfs/dbraw/zinc/04/06/07/1350040607.db2.gz UHORWFXNRMAWAN-ORAHPGNNSA-N -1 1 334.357 2.198 20 0 EEADMM Cc1ccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c(=O)n1C ZINC001600420290 1350047258 /nfs/dbraw/zinc/04/72/58/1350047258.db2.gz VBLLSFHBZHNZHH-ZDUSSCGKSA-N -1 1 330.384 2.008 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N2CCSC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001600443839 1350053115 /nfs/dbraw/zinc/05/31/15/1350053115.db2.gz DLUFYKDLLPTECB-KBPBESRZSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H]3C[C@H]3C(=O)[O-])[nH]c2c1 ZINC001600488707 1350063585 /nfs/dbraw/zinc/06/35/85/1350063585.db2.gz FAKRKCASNULTPJ-LALPHHSUSA-N -1 1 342.399 2.439 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600575866 1350086896 /nfs/dbraw/zinc/08/68/96/1350086896.db2.gz SFHKFTDCSHNWQK-HZPDHXFCSA-N -1 1 332.444 2.181 20 0 EEADMM Cc1nc2ccc(CN3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)cc2s1 ZINC001600727872 1350122429 /nfs/dbraw/zinc/12/24/29/1350122429.db2.gz PZWQHILPSQWPLS-GFCCVEGCSA-N -1 1 343.412 2.341 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@@H](O)COC(C)C)nc1C(=O)[O-] ZINC001600882082 1350159154 /nfs/dbraw/zinc/15/91/54/1350159154.db2.gz IWFKQKLEOPUJKN-NEPJUHHUSA-N -1 1 328.434 2.073 20 0 EEADMM Cn1cnc2cc(CNCc3ccccc3OCC(=O)[O-])ccc21 ZINC001600990709 1350184501 /nfs/dbraw/zinc/18/45/01/1350184501.db2.gz AOSMGVZCTFVSBX-UHFFFAOYSA-N -1 1 325.368 2.327 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC001601254958 1350242404 /nfs/dbraw/zinc/24/24/04/1350242404.db2.gz DXJXCIJDLMGNMH-UHFFFAOYSA-N -1 1 335.404 2.034 20 0 EEADMM O=C([O-])C1(CNC(=O)c2cn[nH]c2-c2ccccn2)CCCCC1 ZINC001601471318 1350291270 /nfs/dbraw/zinc/29/12/70/1350291270.db2.gz AWCLBTXFWMAMHU-UHFFFAOYSA-N -1 1 328.372 2.237 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc4cnccc4n3)[nH]c21 ZINC001601632976 1350324121 /nfs/dbraw/zinc/32/41/21/1350324121.db2.gz QDRUOYXXLKMRQO-UHFFFAOYSA-N -1 1 333.307 2.457 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc3ncccc13)C[C@H]2C(=O)[O-] ZINC001601782993 1350364030 /nfs/dbraw/zinc/36/40/30/1350364030.db2.gz WCJMNIGVGDKMAZ-BTUGKURYSA-N -1 1 340.379 2.232 20 0 EEADMM O=C([O-])[C@@H]1CSCCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC001601857157 1350382094 /nfs/dbraw/zinc/38/20/94/1350382094.db2.gz MUYGUQBYJFLPBI-ZDUSSCGKSA-N -1 1 335.404 2.396 20 0 EEADMM O=C([O-])CCCN(CC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC001601989803 1350412366 /nfs/dbraw/zinc/41/23/66/1350412366.db2.gz BVVCJXJOBQTJHW-UHFFFAOYSA-N -1 1 332.322 2.032 20 0 EEADMM O=C([O-])C[N@H+](CCC(F)(F)F)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001602053711 1350428393 /nfs/dbraw/zinc/42/83/93/1350428393.db2.gz OOTXMXRRKINOCE-UHFFFAOYSA-N -1 1 345.273 2.338 20 0 EEADMM O=C([O-])C[N@@H+](CCC(F)(F)F)Cc1cc(=O)oc2cc([O-])ccc12 ZINC001602053711 1350428394 /nfs/dbraw/zinc/42/83/94/1350428394.db2.gz OOTXMXRRKINOCE-UHFFFAOYSA-N -1 1 345.273 2.338 20 0 EEADMM O=C([O-])COc1ccccc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC001602096116 1350436895 /nfs/dbraw/zinc/43/68/95/1350436895.db2.gz LBJGKZMYEXLWBN-CYBMUJFWSA-N -1 1 343.305 2.240 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccccc3I)C[C@@H]21 ZINC001602204024 1350464843 /nfs/dbraw/zinc/46/48/43/1350464843.db2.gz GFFOLQGWLDJUAC-IAZYJMLFSA-N -1 1 343.164 2.054 20 0 EEADMM O=C([O-])c1ccc(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)s1 ZINC001602321770 1350493486 /nfs/dbraw/zinc/49/34/86/1350493486.db2.gz KUMNUKGQIBWFJD-LLVKDONJSA-N -1 1 342.380 2.126 20 0 EEADMM O=C([O-])c1ccc(F)c(CNC2(C(=O)NCC3CC3)CCCC2)c1 ZINC001602364081 1350504591 /nfs/dbraw/zinc/50/45/91/1350504591.db2.gz NOTXSJHOCGFRBZ-UHFFFAOYSA-N -1 1 334.391 2.453 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cncc3c2CCCC3)cc1 ZINC001602402192 1350511028 /nfs/dbraw/zinc/51/10/28/1350511028.db2.gz MHBMIJWNAOHTJL-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM O=C([O-])c1cncc(NS(=O)(=O)c2cccc3c2CCCC3)c1 ZINC001602541190 1350542185 /nfs/dbraw/zinc/54/21/85/1350542185.db2.gz FTPDYSADQDUGOC-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001602906002 1350603302 /nfs/dbraw/zinc/60/33/02/1350603302.db2.gz KABDTDNYRQGODH-VAWYXSNFSA-N -1 1 347.382 2.039 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001602906002 1350603308 /nfs/dbraw/zinc/60/33/08/1350603308.db2.gz KABDTDNYRQGODH-VAWYXSNFSA-N -1 1 347.382 2.039 20 0 EEADMM C/C(=C\CN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001602974674 1350616208 /nfs/dbraw/zinc/61/62/08/1350616208.db2.gz GAKLMMILMFBZOR-LBNDFQBJSA-N -1 1 325.430 2.090 20 0 EEADMM C/C(=C/CN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O)C(=O)[O-] ZINC001602974680 1350616516 /nfs/dbraw/zinc/61/65/16/1350616516.db2.gz GAKLMMILMFBZOR-XHDTYXFFSA-N -1 1 325.430 2.090 20 0 EEADMM CC(=O)N1CCCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001603020698 1350622640 /nfs/dbraw/zinc/62/26/40/1350622640.db2.gz OWHRRYNBEYALSC-AWEZNQCLSA-N -1 1 344.333 2.385 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2csc(-c3nnn[n-]3)c2)ccn1 ZINC001603357880 1350694103 /nfs/dbraw/zinc/69/41/03/1350694103.db2.gz DUJLWTYRUUADBT-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2csc(-c3nn[n-]n3)c2)ccn1 ZINC001603357880 1350694107 /nfs/dbraw/zinc/69/41/07/1350694107.db2.gz DUJLWTYRUUADBT-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC001603565383 1350720348 /nfs/dbraw/zinc/72/03/48/1350720348.db2.gz VPGNGGDNOAJAEY-SECBINFHSA-N -1 1 338.400 2.482 20 0 EEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC001603565383 1350720353 /nfs/dbraw/zinc/72/03/53/1350720353.db2.gz VPGNGGDNOAJAEY-SECBINFHSA-N -1 1 338.400 2.482 20 0 EEADMM CC1(C)CCCC[C@H]1NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603777557 1350765707 /nfs/dbraw/zinc/76/57/07/1350765707.db2.gz FKNIQDDKMPWIQG-SNVBAGLBSA-N -1 1 341.462 2.175 20 0 EEADMM CC(C)C[C@H]1CCCCN1CN1C(=O)N[C@](C)(CCC(=O)[O-])C1=O ZINC001603785099 1350767669 /nfs/dbraw/zinc/76/76/69/1350767669.db2.gz VFVXKSKAUSDEIH-CXAGYDPISA-N -1 1 339.436 2.020 20 0 EEADMM CC1(C)Cc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603793452 1350769353 /nfs/dbraw/zinc/76/93/53/1350769353.db2.gz WDTIAUGLUGFSDH-UHFFFAOYSA-N -1 1 334.383 2.491 20 0 EEADMM CC1(C)Cc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603793452 1350769355 /nfs/dbraw/zinc/76/93/55/1350769355.db2.gz WDTIAUGLUGFSDH-UHFFFAOYSA-N -1 1 334.383 2.491 20 0 EEADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603845461 1350781008 /nfs/dbraw/zinc/78/10/08/1350781008.db2.gz PJZULMMQJGOPPN-TZMCWYRMSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603845461 1350781013 /nfs/dbraw/zinc/78/10/13/1350781013.db2.gz PJZULMMQJGOPPN-TZMCWYRMSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@@H]1C ZINC001603883039 1350791297 /nfs/dbraw/zinc/79/12/97/1350791297.db2.gz VZQAYDAEQLQRGU-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603889772 1350794771 /nfs/dbraw/zinc/79/47/71/1350794771.db2.gz FVSJMFAWHFCNBS-JQWIXIFHSA-N -1 1 335.433 2.388 20 0 EEADMM C[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603889772 1350794775 /nfs/dbraw/zinc/79/47/75/1350794775.db2.gz FVSJMFAWHFCNBS-JQWIXIFHSA-N -1 1 335.433 2.388 20 0 EEADMM C[C@@H]1CCCc2ncc(C(=O)OCc3ccc(-c4nn[n-]n4)s3)n21 ZINC001603899896 1350797836 /nfs/dbraw/zinc/79/78/36/1350797836.db2.gz PVRYYJTUILAGIF-SECBINFHSA-N -1 1 344.400 2.379 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC001603903309 1350798821 /nfs/dbraw/zinc/79/88/21/1350798821.db2.gz KFHIUWQAEIBOMV-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC001603903309 1350798827 /nfs/dbraw/zinc/79/88/27/1350798827.db2.gz KFHIUWQAEIBOMV-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM CC[C@](C)(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001603987034 1350821632 /nfs/dbraw/zinc/82/16/32/1350821632.db2.gz JUZZMIIREZIWTF-AWEZNQCLSA-N -1 1 344.404 2.165 20 0 EEADMM CC[C@](C)(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001603987034 1350821635 /nfs/dbraw/zinc/82/16/35/1350821635.db2.gz JUZZMIIREZIWTF-AWEZNQCLSA-N -1 1 344.404 2.165 20 0 EEADMM CC/C(C)=C\C(=O)N[C@H](C)[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603991693 1350822867 /nfs/dbraw/zinc/82/28/67/1350822867.db2.gz XMKBFWCFIMTZMC-BUMYOJGDSA-N -1 1 349.464 2.293 20 0 EEADMM CC[C@H](C)[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001603999360 1350825740 /nfs/dbraw/zinc/82/57/40/1350825740.db2.gz WNMWJEXGPVUVGH-GWCFXTLKSA-N -1 1 325.376 2.358 20 0 EEADMM CC[C@H](C)[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001603999360 1350825742 /nfs/dbraw/zinc/82/57/42/1350825742.db2.gz WNMWJEXGPVUVGH-GWCFXTLKSA-N -1 1 325.376 2.358 20 0 EEADMM CC(C)n1cnc(S(=O)(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001604040756 1350837482 /nfs/dbraw/zinc/83/74/82/1350837482.db2.gz ATKUBGSBIOIZSM-UHFFFAOYSA-N -1 1 344.780 2.011 20 0 EEADMM CC[C@@](O)(CCC(F)(F)F)CNc1nc(-c2nn[n-]n2)ccc1C ZINC001604066587 1350845731 /nfs/dbraw/zinc/84/57/31/1350845731.db2.gz XSKIKDWBWWTCBR-CYBMUJFWSA-N -1 1 344.341 2.466 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604134291 1350869074 /nfs/dbraw/zinc/86/90/74/1350869074.db2.gz FEQSIVUJRXHEIO-WFASDCNBSA-N -1 1 328.420 2.231 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604134291 1350869080 /nfs/dbraw/zinc/86/90/80/1350869080.db2.gz FEQSIVUJRXHEIO-WFASDCNBSA-N -1 1 328.420 2.231 20 0 EEADMM CCCCCCOCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001604177281 1350884498 /nfs/dbraw/zinc/88/44/98/1350884498.db2.gz RBXOONWKKRSEKI-UHFFFAOYSA-N -1 1 338.437 2.191 20 0 EEADMM CCCCCCOCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001604177281 1350884501 /nfs/dbraw/zinc/88/45/01/1350884501.db2.gz RBXOONWKKRSEKI-UHFFFAOYSA-N -1 1 338.437 2.191 20 0 EEADMM CCCc1cc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)no1 ZINC001604244799 1350901395 /nfs/dbraw/zinc/90/13/95/1350901395.db2.gz SBEUXVDLPVRMTQ-UHFFFAOYSA-N -1 1 339.768 2.169 20 0 EEADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC001604349128 1350921409 /nfs/dbraw/zinc/92/14/09/1350921409.db2.gz RISOTJSLVUNVIY-SNVBAGLBSA-N -1 1 338.385 2.200 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cc1CC ZINC001604524829 1350954967 /nfs/dbraw/zinc/95/49/67/1350954967.db2.gz KKXRFTSRVPIAPA-UHFFFAOYSA-N -1 1 347.400 2.385 20 0 EEADMM CCc1ccc(N(CC)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001604524493 1350955169 /nfs/dbraw/zinc/95/51/69/1350955169.db2.gz NKDRNWPGQITFJQ-UHFFFAOYSA-N -1 1 347.400 2.237 20 0 EEADMM CCc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001604569708 1350962234 /nfs/dbraw/zinc/96/22/34/1350962234.db2.gz JFXVKTOFQAIBEE-WBMJQRKESA-N -1 1 337.387 2.161 20 0 EEADMM CCc1nc(N[C@@H]2CCO[C@H]2c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001604569708 1350962236 /nfs/dbraw/zinc/96/22/36/1350962236.db2.gz JFXVKTOFQAIBEE-WBMJQRKESA-N -1 1 337.387 2.161 20 0 EEADMM CCc1nc2cc(NC(=O)c3cccc(-c4nnn[n-]4)n3)ccc2o1 ZINC001604570558 1350962449 /nfs/dbraw/zinc/96/24/49/1350962449.db2.gz IQLAUHXIQKNSGP-UHFFFAOYSA-N -1 1 335.327 2.218 20 0 EEADMM CCc1nc2cc(NC(=O)c3cccc(-c4nn[n-]n4)n3)ccc2o1 ZINC001604570558 1350962450 /nfs/dbraw/zinc/96/24/50/1350962450.db2.gz IQLAUHXIQKNSGP-UHFFFAOYSA-N -1 1 335.327 2.218 20 0 EEADMM C[C@H]1[C@@H](NCc2cc(C(=O)[O-])co2)CC(=O)N1Cc1ccccc1 ZINC001604645653 1350976187 /nfs/dbraw/zinc/97/61/87/1350976187.db2.gz LIINVDASJHCYCD-LRDDRELGSA-N -1 1 328.368 2.257 20 0 EEADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604736950 1350994304 /nfs/dbraw/zinc/99/43/04/1350994304.db2.gz OKLHLPKSZGGTSY-AWEZNQCLSA-N -1 1 334.383 2.064 20 0 EEADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604736950 1350994305 /nfs/dbraw/zinc/99/43/05/1350994305.db2.gz OKLHLPKSZGGTSY-AWEZNQCLSA-N -1 1 334.383 2.064 20 0 EEADMM CN(Cc1c(F)cccc1F)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604795534 1351006171 /nfs/dbraw/zinc/00/61/71/1351006171.db2.gz TZZRSCZPGWWUEH-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM C[C@H](Oc1ccc(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001604799828 1351008521 /nfs/dbraw/zinc/00/85/21/1351008521.db2.gz MUBDNKLHEKWOQW-CABCVRRESA-N -1 1 349.427 2.308 20 0 EEADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604809549 1351011827 /nfs/dbraw/zinc/01/18/27/1351011827.db2.gz UVKNHUZSBNQIDN-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604809549 1351011833 /nfs/dbraw/zinc/01/18/33/1351011833.db2.gz UVKNHUZSBNQIDN-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM COC(=O)c1ccc(N(C)C[C@H](C)C(C)(C)C)c(-c2nnn[n-]2)n1 ZINC001604972223 1351042319 /nfs/dbraw/zinc/04/23/19/1351042319.db2.gz PPEUYXCZTSVDLF-JTQLQIEISA-N -1 1 332.408 2.167 20 0 EEADMM COC(=O)c1ccc(N(C)C[C@H](C)C(C)(C)C)c(-c2nn[n-]n2)n1 ZINC001604972223 1351042320 /nfs/dbraw/zinc/04/23/20/1351042320.db2.gz PPEUYXCZTSVDLF-JTQLQIEISA-N -1 1 332.408 2.167 20 0 EEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605014579 1351054915 /nfs/dbraw/zinc/05/49/15/1351054915.db2.gz VRMVVPXLVYJCED-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605014579 1351054916 /nfs/dbraw/zinc/05/49/16/1351054916.db2.gz VRMVVPXLVYJCED-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM COc1ccc(C=CC(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001605270178 1351121372 /nfs/dbraw/zinc/12/13/72/1351121372.db2.gz RWEIPLZAUAOHPL-RMKNXTFCSA-N -1 1 337.339 2.027 20 0 EEADMM COc1ccc(C=CC(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001605270178 1351121375 /nfs/dbraw/zinc/12/13/75/1351121375.db2.gz RWEIPLZAUAOHPL-RMKNXTFCSA-N -1 1 337.339 2.027 20 0 EEADMM COc1cccc(C2(NC(=O)c3cc(-c4nnn[n-]4)oc3C)CC2)c1 ZINC001605314876 1351134296 /nfs/dbraw/zinc/13/42/96/1351134296.db2.gz GBZSTQUWCWDRTN-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM COc1cccc(C2(NC(=O)c3cc(-c4nn[n-]n4)oc3C)CC2)c1 ZINC001605314876 1351134299 /nfs/dbraw/zinc/13/42/99/1351134299.db2.gz GBZSTQUWCWDRTN-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM COc1cccc2c1CCC[C@H](Nc1ncncc1-c1nn[n-]n1)C2 ZINC001605325021 1351136685 /nfs/dbraw/zinc/13/66/85/1351136685.db2.gz NRCVRWMVKQILAN-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM CS[C@@H](C)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001605367585 1351145212 /nfs/dbraw/zinc/14/52/12/1351145212.db2.gz FUMWUONJEDZKCX-VIFPVBQESA-N -1 1 347.400 2.467 20 0 EEADMM CS[C@@H](C)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001605367585 1351145215 /nfs/dbraw/zinc/14/52/15/1351145215.db2.gz FUMWUONJEDZKCX-VIFPVBQESA-N -1 1 347.400 2.467 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605387709 1351150970 /nfs/dbraw/zinc/15/09/70/1351150970.db2.gz NVZIBBLBUAWGEI-UHFFFAOYSA-N -1 1 333.348 2.251 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605387709 1351150974 /nfs/dbraw/zinc/15/09/74/1351150974.db2.gz NVZIBBLBUAWGEI-UHFFFAOYSA-N -1 1 333.348 2.251 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cnc2ccccc2c1 ZINC001605510457 1351174371 /nfs/dbraw/zinc/17/43/71/1351174371.db2.gz CRJYSJWUUSSIFL-UHFFFAOYSA-N -1 1 347.338 2.076 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCCC1CCCCC1 ZINC001605509426 1351174439 /nfs/dbraw/zinc/17/44/39/1351174439.db2.gz GERYEYLJOHRDFT-UHFFFAOYSA-N -1 1 344.419 2.366 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC[C@H](C)CC(C)(C)C ZINC001605509911 1351174484 /nfs/dbraw/zinc/17/44/84/1351174484.db2.gz LJXNFVTUKQKGEQ-JTQLQIEISA-N -1 1 346.435 2.468 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(C(C)(C)C)n2)c1 ZINC001605511070 1351175134 /nfs/dbraw/zinc/17/51/34/1351175134.db2.gz UVCJZPFJAMEILP-UHFFFAOYSA-N -1 1 330.417 2.139 20 0 EEADMM CCOC(=O)c1cnn(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC001605578412 1351193110 /nfs/dbraw/zinc/19/31/10/1351193110.db2.gz XGIMCLIYRKAQSC-UHFFFAOYSA-N -1 1 347.371 2.188 20 0 EEADMM CCc1ccc([C@H]2CNCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC001605810334 1351226296 /nfs/dbraw/zinc/22/62/96/1351226296.db2.gz XJELFKBUACALEG-QGZVFWFLSA-N -1 1 339.395 2.129 20 0 EEADMM CCc1cccc(OCC[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001605831230 1351231182 /nfs/dbraw/zinc/23/11/82/1351231182.db2.gz TXBKFZMNTFUJNY-NLGTXKQRSA-N -1 1 347.411 2.125 20 0 EEADMM CCc1nc(C)c(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)s1 ZINC001605848762 1351236171 /nfs/dbraw/zinc/23/61/71/1351236171.db2.gz NVVDFPRBIXAAPN-UHFFFAOYSA-N -1 1 332.447 2.401 20 0 EEADMM Cc1ccc(NC[C@@H](CO)c2ccc(Cl)cc2)c(-c2nnn[n-]2)n1 ZINC001605873708 1351243314 /nfs/dbraw/zinc/24/33/14/1351243314.db2.gz HBUZTYGLFUFXSM-LBPRGKRZSA-N -1 1 344.806 2.412 20 0 EEADMM Cc1ccc(NC[C@@H](CO)c2ccc(Cl)cc2)c(-c2nn[n-]n2)n1 ZINC001605873708 1351243317 /nfs/dbraw/zinc/24/33/17/1351243317.db2.gz HBUZTYGLFUFXSM-LBPRGKRZSA-N -1 1 344.806 2.412 20 0 EEADMM Cc1[nH]nc(NCc2c(F)cccc2N2CCCC2)c1-c1nnn[n-]1 ZINC001606014097 1351263463 /nfs/dbraw/zinc/26/34/63/1351263463.db2.gz QFWXGDLCGRAKQS-UHFFFAOYSA-N -1 1 342.382 2.250 20 0 EEADMM Cc1[nH]nc(NCc2c(F)cccc2N2CCCC2)c1-c1nn[n-]n1 ZINC001606014097 1351263466 /nfs/dbraw/zinc/26/34/66/1351263466.db2.gz QFWXGDLCGRAKQS-UHFFFAOYSA-N -1 1 342.382 2.250 20 0 EEADMM CN(C)c1ccnc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001606061932 1351267574 /nfs/dbraw/zinc/26/75/74/1351267574.db2.gz HYQJIKTUZHDQCZ-UHFFFAOYSA-N -1 1 346.362 2.236 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606169300 1351281159 /nfs/dbraw/zinc/28/11/59/1351281159.db2.gz RRJPDVGCNFNNCG-QWHCGFSZSA-N -1 1 327.319 2.193 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606169300 1351281162 /nfs/dbraw/zinc/28/11/62/1351281162.db2.gz RRJPDVGCNFNNCG-QWHCGFSZSA-N -1 1 327.319 2.193 20 0 EEADMM COC(=O)CC[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC001606449707 1351303823 /nfs/dbraw/zinc/30/38/23/1351303823.db2.gz ZHAVMFDYDROPKF-SNVBAGLBSA-N -1 1 339.348 2.109 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1ccsc1-c1nnn[n-]1 ZINC001606695354 1351343231 /nfs/dbraw/zinc/34/32/31/1351343231.db2.gz CEYKHRIVSMAAPI-ZYHUDNBSSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1ccsc1-c1nn[n-]n1 ZINC001606695354 1351343237 /nfs/dbraw/zinc/34/32/37/1351343237.db2.gz CEYKHRIVSMAAPI-ZYHUDNBSSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606727060 1351348158 /nfs/dbraw/zinc/34/81/58/1351348158.db2.gz MQCCJNKUFAUCBZ-VIFPVBQESA-N -1 1 325.319 2.405 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606727060 1351348159 /nfs/dbraw/zinc/34/81/59/1351348159.db2.gz MQCCJNKUFAUCBZ-VIFPVBQESA-N -1 1 325.319 2.405 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1CCCC12CC2 ZINC001606816707 1351360003 /nfs/dbraw/zinc/36/00/03/1351360003.db2.gz PTQOIBJLAZLWHA-JTQLQIEISA-N -1 1 333.342 2.341 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1CCCC12CC2 ZINC001606816707 1351360004 /nfs/dbraw/zinc/36/00/04/1351360004.db2.gz PTQOIBJLAZLWHA-JTQLQIEISA-N -1 1 333.342 2.341 20 0 EEADMM COCc1cccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])cn2)c1 ZINC001606965510 1351386482 /nfs/dbraw/zinc/38/64/82/1351386482.db2.gz FVZBOUOXSQUFHI-UHFFFAOYSA-N -1 1 336.369 2.035 20 0 EEADMM O=C(OCCOc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606971671 1351388140 /nfs/dbraw/zinc/38/81/40/1351388140.db2.gz FLGIVETXYIDVQH-UHFFFAOYSA-N -1 1 334.719 2.349 20 0 EEADMM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606989126 1351393699 /nfs/dbraw/zinc/39/36/99/1351393699.db2.gz JKJAZJDUQYAIMP-UHFFFAOYSA-N -1 1 339.311 2.027 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCC[C@H]1C(F)F ZINC001607007313 1351396477 /nfs/dbraw/zinc/39/64/77/1351396477.db2.gz UJVSGJXNPJCIBQ-JTQLQIEISA-N -1 1 343.284 2.405 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCC[C@H]1C(F)F ZINC001607007313 1351396479 /nfs/dbraw/zinc/39/64/79/1351396479.db2.gz UJVSGJXNPJCIBQ-JTQLQIEISA-N -1 1 343.284 2.405 20 0 EEADMM O=C(c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1)N1CCCC1 ZINC001607023057 1351399680 /nfs/dbraw/zinc/39/96/80/1351399680.db2.gz IKHCHOSBANWHAU-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM O=C(c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1)N1CCCC1 ZINC001607023057 1351399684 /nfs/dbraw/zinc/39/96/84/1351399684.db2.gz IKHCHOSBANWHAU-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM c1c(NCCC2SCCS2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114128 1351424232 /nfs/dbraw/zinc/42/42/32/1351424232.db2.gz GDFJKCBOGNCCMD-UHFFFAOYSA-N -1 1 335.462 2.142 20 0 EEADMM c1c(NCCC2SCCS2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114128 1351424233 /nfs/dbraw/zinc/42/42/33/1351424233.db2.gz GDFJKCBOGNCCMD-UHFFFAOYSA-N -1 1 335.462 2.142 20 0 EEADMM c1sc(CSc2ccc3c(c2)OCCO3)nc1-c1nnn[n-]1 ZINC001607123676 1351427880 /nfs/dbraw/zinc/42/78/80/1351427880.db2.gz TWDMLKHIYLXWIS-UHFFFAOYSA-N -1 1 333.398 2.387 20 0 EEADMM c1sc(CSc2ccc3c(c2)OCCO3)nc1-c1nn[n-]n1 ZINC001607123676 1351427884 /nfs/dbraw/zinc/42/78/84/1351427884.db2.gz TWDMLKHIYLXWIS-UHFFFAOYSA-N -1 1 333.398 2.387 20 0 EEADMM COc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])nc3)[nH]n2)cc1 ZINC001607195789 1351447011 /nfs/dbraw/zinc/44/70/11/1351447011.db2.gz STSRHPPRQXURDC-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cn1 ZINC001607289777 1351465555 /nfs/dbraw/zinc/46/55/55/1351465555.db2.gz UWXVMAQLQHSBSM-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM COc1ccc2c(c1)C1=NN(c3ccc(CC(=O)[O-])cc3)C(=O)[C@@H]1C2 ZINC001607294022 1351466528 /nfs/dbraw/zinc/46/65/28/1351466528.db2.gz BJVHBDSKRCPFEQ-MRXNPFEDSA-N -1 1 336.347 2.246 20 0 EEADMM COc1cccc(C(=O)[O-])c1CN1CCCN(C(=O)C(C)C)CC1 ZINC001607305912 1351469545 /nfs/dbraw/zinc/46/95/45/1351469545.db2.gz YWPBUXOOUBQFPO-UHFFFAOYSA-N -1 1 334.416 2.084 20 0 EEADMM COc1nsc(CNCc2ccc3c(c2)C[C@@H](C)O3)c1C(=O)[O-] ZINC001607363390 1351482957 /nfs/dbraw/zinc/48/29/57/1351482957.db2.gz FJYGQSDJAAGPIY-SECBINFHSA-N -1 1 334.397 2.463 20 0 EEADMM C[C@@]12C[N@@H+](CC(=O)Nc3cccc(C(=O)[O-])n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001607448886 1351496044 /nfs/dbraw/zinc/49/60/44/1351496044.db2.gz AVSRPZWNJJJZNJ-WLHTULFXSA-N -1 1 329.400 2.086 20 0 EEADMM C[C@@]12CN(CC(=O)Nc3cccc(C(=O)[O-])n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001607448886 1351496047 /nfs/dbraw/zinc/49/60/47/1351496047.db2.gz AVSRPZWNJJJZNJ-WLHTULFXSA-N -1 1 329.400 2.086 20 0 EEADMM Cc1[nH]c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001607488823 1351503063 /nfs/dbraw/zinc/50/30/63/1351503063.db2.gz JSCSJTOUUHUMFY-UHFFFAOYSA-N -1 1 341.411 2.286 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC001607595406 1351521316 /nfs/dbraw/zinc/52/13/16/1351521316.db2.gz JNALFEZPMJJSRA-UHFFFAOYSA-N -1 1 332.278 2.089 20 0 EEADMM Cc1cccc(CN2CCN(Cc3cccc(C(=O)[O-])n3)CC2)c1 ZINC001607851066 1351571349 /nfs/dbraw/zinc/57/13/49/1351571349.db2.gz XKDNPHHSFCQAEW-UHFFFAOYSA-N -1 1 325.412 2.406 20 0 EEADMM Cc1nc([C@@H](C)OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC001607935477 1351589256 /nfs/dbraw/zinc/58/92/56/1351589256.db2.gz PFLDPFVSINMTML-SECBINFHSA-N -1 1 328.328 2.070 20 0 EEADMM Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607937075 1351589870 /nfs/dbraw/zinc/58/98/70/1351589870.db2.gz QEFOAQDWOKQGCS-MRVPVSSYSA-N -1 1 341.371 2.418 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001607939543 1351589883 /nfs/dbraw/zinc/58/98/83/1351589883.db2.gz RSZBVHMYRGNKBF-UHFFFAOYSA-N -1 1 349.416 2.213 20 0 EEADMM NC(=O)c1cnccc1N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001608244755 1351655026 /nfs/dbraw/zinc/65/50/26/1351655026.db2.gz CFOWPUTVWFPTIL-UONOGXRCSA-N -1 1 345.786 2.139 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001608324532 1351670952 /nfs/dbraw/zinc/67/09/52/1351670952.db2.gz NPHDWPULBYPKNL-UHFFFAOYSA-N -1 1 334.719 2.474 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(-c2ccccn2)nc1)c1nn[n-]n1 ZINC001626908484 1352477129 /nfs/dbraw/zinc/47/71/29/1352477129.db2.gz GPNRPXXOAKCGKY-UHFFFAOYSA-N -1 1 337.387 2.102 20 0 EEADMM CC[C@@H]1C[C@H](C)CN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCOC1 ZINC001649237349 1352580521 /nfs/dbraw/zinc/58/05/21/1352580521.db2.gz IEQCNFYTSUHKJA-YNEHKIRRSA-N -1 1 346.435 2.035 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ncccc1C(F)(F)F ZINC001642557971 1352733740 /nfs/dbraw/zinc/73/37/40/1352733740.db2.gz KWWCLLAJWUNSHP-LLVKDONJSA-N -1 1 348.288 2.133 20 0 EEADMM O=C(COC(=O)[C@H](O)c1ccccc1Cl)c1ccc([O-])cc1O ZINC001647111326 1353147180 /nfs/dbraw/zinc/14/71/80/1353147180.db2.gz VSYXZDSTDDOVAP-OAHLLOKOSA-N -1 1 336.727 2.211 20 0 EEADMM O=C([N-]CC1CN(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)C1)C(F)(F)F ZINC001647357245 1353242647 /nfs/dbraw/zinc/24/26/47/1353242647.db2.gz IKBFLQADEHWKQJ-CHWSQXEVSA-N -1 1 347.381 2.275 20 0 EEADMM CS(=O)(=O)c1cccc(Cl)c1CN[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001649844120 1353624090 /nfs/dbraw/zinc/62/40/90/1353624090.db2.gz UTVVFPHMNUDTGI-VHSXEESVSA-N -1 1 331.821 2.086 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)sn1 ZINC001661153788 1354598847 /nfs/dbraw/zinc/59/88/47/1354598847.db2.gz SRTBLHZZNUNUHJ-UHFFFAOYSA-N -1 1 334.426 2.116 20 0 EEADMM C[C@H](CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)Cn1cccn1 ZINC001673488913 1356696368 /nfs/dbraw/zinc/69/63/68/1356696368.db2.gz MMOUCYZATLNGKW-CYBMUJFWSA-N -1 1 340.387 2.232 20 0 EEADMM O=C([N-]C1CCN(C(=O)NCc2ccc(F)cc2)CC1)C(F)(F)F ZINC001185457990 1368154838 /nfs/dbraw/zinc/15/48/38/1368154838.db2.gz YLUWIAGIRZROLQ-UHFFFAOYSA-N -1 1 347.312 2.178 20 0 EEADMM O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc2n[nH]cc2c1 ZINC001185944440 1368173812 /nfs/dbraw/zinc/17/38/12/1368173812.db2.gz ZQCDFPXQGOCDGT-UHFFFAOYSA-N -1 1 325.353 2.307 20 0 EEADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186899361 1368217755 /nfs/dbraw/zinc/21/77/55/1368217755.db2.gz PJTUQWSKOLFAAU-UHFFFAOYSA-N -1 1 337.788 2.339 20 0 EEADMM C[C@@H]1C[C@@H](CNC(=O)c2ccncc2[O-])CN1C(=O)OC(C)(C)C ZINC001188637284 1368309872 /nfs/dbraw/zinc/30/98/72/1368309872.db2.gz RFKDRKFBDRJXNO-NEPJUHHUSA-N -1 1 335.404 2.163 20 0 EEADMM 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/nfs/dbraw/zinc/27/29/12/1402272912.db2.gz ULZZTKXOCZPFPU-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427439367 1402416979 /nfs/dbraw/zinc/41/69/79/1402416979.db2.gz CILSSPYKHXPHMG-OLZOCXBDSA-N -1 1 333.432 2.142 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001427845694 1402542881 /nfs/dbraw/zinc/54/28/81/1402542881.db2.gz ZPFKDJJTPQGPGZ-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@H]1CC[C@@H](CNC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC001428113830 1402626203 /nfs/dbraw/zinc/62/62/03/1402626203.db2.gz DHNNDUFZSBHKAU-OLZOCXBDSA-N -1 1 349.406 2.084 20 0 EEADMM O=C(CCCC1CC1)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001428615900 1402767538 /nfs/dbraw/zinc/76/75/38/1402767538.db2.gz PCVXGDGYVBSZRZ-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM O=C(CCC1CCCC1)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001431989416 1403178397 /nfs/dbraw/zinc/17/83/97/1403178397.db2.gz FLZLIGOJFNKCOY-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001433865132 1403440201 /nfs/dbraw/zinc/44/02/01/1403440201.db2.gz LDPVIXIJJOQZDT-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CCc1cc(OCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1Cl ZINC001433931038 1403447380 /nfs/dbraw/zinc/44/73/80/1403447380.db2.gz JNOUYHJAGJJBHU-LBPRGKRZSA-N -1 1 349.822 2.201 20 0 EEADMM CCC(CC)(NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1nn[n-]n1 ZINC001433969848 1403451727 /nfs/dbraw/zinc/45/17/27/1403451727.db2.gz WBWWGSCXKFHQPB-WMLDXEAASA-N -1 1 325.416 2.235 20 0 EEADMM CSCc1cccnc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001580225851 1403850174 /nfs/dbraw/zinc/85/01/74/1403850174.db2.gz LSDJRUYAOLQKHZ-UHFFFAOYSA-N -1 1 346.441 2.116 20 0 EEADMM CSc1ccc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001580235663 1403851455 /nfs/dbraw/zinc/85/14/55/1403851455.db2.gz VWYRVLOZXJTGBD-UHFFFAOYSA-N -1 1 339.424 2.287 20 0 EEADMM CCNC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC001590744851 1403891548 /nfs/dbraw/zinc/89/15/48/1403891548.db2.gz STJHFQZEWNYLJS-UHFFFAOYSA-N -1 1 326.360 2.130 20 0 EEADMM CCNC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001590744851 1403891556 /nfs/dbraw/zinc/89/15/56/1403891556.db2.gz STJHFQZEWNYLJS-UHFFFAOYSA-N -1 1 326.360 2.130 20 0 EEADMM COC(=O)c1ccc(NCc2csc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001591297032 1403902416 /nfs/dbraw/zinc/90/24/16/1403902416.db2.gz XGLOXOGUASKBNM-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM COCc1ccc([C@H]2CCCN2c2cccnc2-c2nnn[n-]2)o1 ZINC001591455820 1403913288 /nfs/dbraw/zinc/91/32/88/1403913288.db2.gz FLIKLWLUKGNBCY-GFCCVEGCSA-N -1 1 326.360 2.343 20 0 EEADMM COCc1ccc([C@H]2CCCN2c2cccnc2-c2nn[n-]n2)o1 ZINC001591455820 1403913300 /nfs/dbraw/zinc/91/33/00/1403913300.db2.gz FLIKLWLUKGNBCY-GFCCVEGCSA-N -1 1 326.360 2.343 20 0 EEADMM COc1cccc(CCNc2snc(C)c2-c2nn[n-]n2)c1OC ZINC001591638299 1403931850 /nfs/dbraw/zinc/93/18/50/1403931850.db2.gz SWESWVFUKLGHBP-UHFFFAOYSA-N -1 1 346.416 2.303 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC2([C@@H]3CCCCO3)CCC2)n1 ZINC001591896145 1403969730 /nfs/dbraw/zinc/96/97/30/1403969730.db2.gz ZNPFOAYHWFKZHP-ZDUSSCGKSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2([C@@H]3CCCCO3)CCC2)n1 ZINC001591896145 1403969738 /nfs/dbraw/zinc/96/97/38/1403969738.db2.gz ZNPFOAYHWFKZHP-ZDUSSCGKSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(S[C@@H]2CCOC2)n1 ZINC001591941294 1403974693 /nfs/dbraw/zinc/97/46/93/1403974693.db2.gz YZCOPGSYHNMKJC-SSDOTTSWSA-N -1 1 331.323 2.470 20 0 EEADMM Cc1ccc([C@@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)o1 ZINC001592138304 1404005700 /nfs/dbraw/zinc/00/57/00/1404005700.db2.gz WAURALPTMMCXJW-LURJTMIESA-N -1 1 326.769 2.024 20 0 EEADMM Cc1nsc(NC(=O)Nc2cnn(C3CCC3)c2)c1-c1nnn[n-]1 ZINC001592481839 1404700587 /nfs/dbraw/zinc/70/05/87/1404700587.db2.gz IXXOGSZEQWPTCA-UHFFFAOYSA-N -1 1 345.392 2.197 20 0 EEADMM Cc1nsc(NC(=O)Nc2cnn(C3CCC3)c2)c1-c1nn[n-]n1 ZINC001592481839 1404700594 /nfs/dbraw/zinc/70/05/94/1404700594.db2.gz IXXOGSZEQWPTCA-UHFFFAOYSA-N -1 1 345.392 2.197 20 0 EEADMM Cc1nsc(N[C@H](C)CCNC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482300 1404701522 /nfs/dbraw/zinc/70/15/22/1404701522.db2.gz CHYXUJMRBAAMAU-SECBINFHSA-N -1 1 347.448 2.049 20 0 EEADMM O=C(C=C1CCCCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592790432 1404722093 /nfs/dbraw/zinc/72/20/93/1404722093.db2.gz NFYCMBRSFFIXKL-UHFFFAOYSA-N -1 1 340.387 2.163 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@@H]1CCCc2ccccc21 ZINC001592913768 1404730026 /nfs/dbraw/zinc/73/00/26/1404730026.db2.gz GSCFAGQEJSHZLV-HNNXBMFYSA-N -1 1 348.410 2.041 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@@H]1CCCc2ccccc21 ZINC001592913768 1404730034 /nfs/dbraw/zinc/73/00/34/1404730034.db2.gz GSCFAGQEJSHZLV-HNNXBMFYSA-N -1 1 348.410 2.041 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001593003434 1404732794 /nfs/dbraw/zinc/73/27/94/1404732794.db2.gz FGXODTZLQAFZNW-GXTWGEPZSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001593003434 1404732799 /nfs/dbraw/zinc/73/27/99/1404732799.db2.gz FGXODTZLQAFZNW-GXTWGEPZSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593030302 1404735726 /nfs/dbraw/zinc/73/57/26/1404735726.db2.gz MKOLQDXXRVCLAQ-CLYYMRHHSA-N -1 1 345.432 2.057 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593030302 1404735728 /nfs/dbraw/zinc/73/57/28/1404735728.db2.gz MKOLQDXXRVCLAQ-CLYYMRHHSA-N -1 1 345.432 2.057 20 0 EEADMM Cc1nsc(NC(=O)COC2CCC(C)CC2)c1-c1nnn[n-]1 ZINC001606149485 1404768922 /nfs/dbraw/zinc/76/89/22/1404768922.db2.gz SFXJTMMPJAZZCQ-UHFFFAOYSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)COC2CCC(C)CC2)c1-c1nn[n-]n1 ZINC001606149485 1404768925 /nfs/dbraw/zinc/76/89/25/1404768925.db2.gz SFXJTMMPJAZZCQ-UHFFFAOYSA-N -1 1 336.421 2.165 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001606192665 1404776838 /nfs/dbraw/zinc/77/68/38/1404776838.db2.gz DFUVGRJKMVHZSY-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001606192665 1404776843 /nfs/dbraw/zinc/77/68/43/1404776843.db2.gz DFUVGRJKMVHZSY-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM FC(F)(F)c1ccccc1CCNc1ncncc1-c1nn[n-]n1 ZINC001606293023 1404779235 /nfs/dbraw/zinc/77/92/35/1404779235.db2.gz DUALPRUYOAMGGZ-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CNc2cc(-c3nnn[n-]3)ncn2)s1 ZINC001606294715 1404780048 /nfs/dbraw/zinc/78/00/48/1404780048.db2.gz RODSQHGGYBEULU-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1ccc(CNc2cc(-c3nn[n-]n3)ncn2)s1 ZINC001606294715 1404780061 /nfs/dbraw/zinc/78/00/61/1404780061.db2.gz RODSQHGGYBEULU-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC1(F)C[C@@]2(CCN(c3ccnc(-c4nnn[n-]4)c3)C2)C1(F)F ZINC001606301549 1404784194 /nfs/dbraw/zinc/78/41/94/1404784194.db2.gz VAHXQEWNDYCKBH-LLVKDONJSA-N -1 1 328.273 2.133 20 0 EEADMM FC1(F)C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)c3)C2)C1(F)F ZINC001606301549 1404784203 /nfs/dbraw/zinc/78/42/03/1404784203.db2.gz VAHXQEWNDYCKBH-LLVKDONJSA-N -1 1 328.273 2.133 20 0 EEADMM Fc1cccc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)c1 ZINC001606327369 1404792746 /nfs/dbraw/zinc/79/27/46/1404792746.db2.gz MKYNCDNEVYDFQC-KRWDZBQOSA-N -1 1 347.357 2.419 20 0 EEADMM Fc1cccc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)c1 ZINC001606327369 1404792753 /nfs/dbraw/zinc/79/27/53/1404792753.db2.gz MKYNCDNEVYDFQC-KRWDZBQOSA-N -1 1 347.357 2.419 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001645645698 1404835695 /nfs/dbraw/zinc/83/56/95/1404835695.db2.gz VZKLDHRDEHBCGH-DOFRTFSJSA-N -1 1 335.372 2.208 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c[nH]cc(Cl)c2=O)c1 ZINC001645762917 1404845793 /nfs/dbraw/zinc/84/57/93/1404845793.db2.gz AJCFYKAMTGFTSO-UHFFFAOYSA-N -1 1 335.743 2.336 20 0 EEADMM C/C=C(/C)C(=O)N(C)[C@@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001756052667 1408107484 /nfs/dbraw/zinc/10/74/84/1408107484.db2.gz XBBCXRUXRJQMLW-KGTBHZDVSA-N -1 1 348.447 2.157 20 0 EEADMM C[C@@H](CCCNC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001756295371 1408297825 /nfs/dbraw/zinc/29/78/25/1408297825.db2.gz DVFNPDIOVADCPV-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CC/C(C)=C\C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001756806412 1409352280 /nfs/dbraw/zinc/35/22/80/1409352280.db2.gz YUYWGORNMHAQGE-TZNPFNDMSA-N -1 1 345.443 2.358 20 0 EEADMM Cc1csc(CCC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)n1 ZINC000444216166 1409868327 /nfs/dbraw/zinc/86/83/27/1409868327.db2.gz CBDIQUVOQBKKCA-UHFFFAOYSA-N -1 1 344.400 2.115 20 0 EEADMM Cc1nc(NC2CC2)sc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001771916064 1409979246 /nfs/dbraw/zinc/97/92/46/1409979246.db2.gz XWYJJHFXLWJYNK-SECBINFHSA-N -1 1 349.416 2.134 20 0 EEADMM CCn1cc(Br)c(C(=O)[N-]c2nc(C3CC3)no2)n1 ZINC001772128025 1410054580 /nfs/dbraw/zinc/05/45/80/1410054580.db2.gz LETJOQKMEZVRFR-UHFFFAOYSA-N -1 1 326.154 2.178 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2C/C=C\c2ccccc2)c1[O-] ZINC001027829606 770903111 /nfs/dbraw/zinc/90/31/11/770903111.db2.gz FKXJTTGQNVAUSB-MEMKZHQFSA-N -1 1 340.427 2.331 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2C/C=C\c2ccccc2)c1[O-] ZINC001027829606 770903115 /nfs/dbraw/zinc/90/31/15/770903115.db2.gz FKXJTTGQNVAUSB-MEMKZHQFSA-N -1 1 340.427 2.331 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1ccc(F)cc1F)c1ncccc1[O-] ZINC001027844913 773441030 /nfs/dbraw/zinc/44/10/30/773441030.db2.gz YGCLMAHPERYGKC-CQSZACIVSA-N -1 1 347.365 2.460 20 0 EEADMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064402519 773461858 /nfs/dbraw/zinc/46/18/58/773461858.db2.gz KYYLYXQXXATGEY-UHFFFAOYSA-N -1 1 345.273 2.202 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000942756641 783141650 /nfs/dbraw/zinc/14/16/50/783141650.db2.gz PKFSHNJKSJXDKZ-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000942757660 783144973 /nfs/dbraw/zinc/14/49/73/783144973.db2.gz IKRRTKVCFHDQEI-BIENJYKASA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000939016228 775200583 /nfs/dbraw/zinc/20/05/83/775200583.db2.gz NTFWDDCCFXXPFQ-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1nnc([C@H](C)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000801555162 775232104 /nfs/dbraw/zinc/23/21/04/775232104.db2.gz FNCLRAAHUVHXBT-QMMMGPOBSA-N -1 1 336.383 2.298 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC1CC(C)(C)C1 ZINC000939272673 776134317 /nfs/dbraw/zinc/13/43/17/776134317.db2.gz QXFZNOOTNBPQDX-TZMCWYRMSA-N -1 1 345.443 2.190 20 0 EEADMM Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)c2ccccc2O)C(C)(C)C1 ZINC000940583570 778927458 /nfs/dbraw/zinc/92/74/58/778927458.db2.gz AAFDKMUMXVDXAA-QGZVFWFLSA-N -1 1 342.443 2.156 20 0 EEADMM CC1(C)CN(Cc2ccns2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000940703843 779150283 /nfs/dbraw/zinc/15/02/83/779150283.db2.gz WJCFFMRAZYSSAP-AWEZNQCLSA-N -1 1 346.456 2.274 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832268 779377446 /nfs/dbraw/zinc/37/74/46/779377446.db2.gz BAJCOJBADCBPET-HUUCEWRRSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1ccsc1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982367899 779886521 /nfs/dbraw/zinc/88/65/21/779886521.db2.gz ATFFUHQUWGMUIT-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM O=C(CSCc1cccnc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078962 780549292 /nfs/dbraw/zinc/54/92/92/780549292.db2.gz WMQYLYDCZXSXIS-UHFFFAOYSA-N -1 1 349.485 2.263 20 0 EEADMM O=C(CCCc1ccccn1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067119262 780739380 /nfs/dbraw/zinc/73/93/80/780739380.db2.gz XEZUHOOOKBEZEO-UHFFFAOYSA-N -1 1 331.445 2.352 20 0 EEADMM COc1c(F)nccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167934748 780989561 /nfs/dbraw/zinc/98/95/61/780989561.db2.gz JZJYZXOFDGKLRC-UHFFFAOYSA-N -1 1 338.275 2.314 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)c3ccccc3C)nc2n1 ZINC000906059274 783675302 /nfs/dbraw/zinc/67/53/02/783675302.db2.gz 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EEADMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC001174303184 797729121 /nfs/dbraw/zinc/72/91/21/797729121.db2.gz MSFAXCNJZHGSRM-UHFFFAOYSA-N -1 1 332.360 2.394 20 0 EEADMM Cc1cc(C)nc(N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061076709 797941418 /nfs/dbraw/zinc/94/14/18/797941418.db2.gz SOYYPONRCCTJAX-KBPBESRZSA-N -1 1 341.415 2.347 20 0 EEADMM CSc1cc(C)c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)o1 ZINC001168694460 797989432 /nfs/dbraw/zinc/98/94/32/797989432.db2.gz MUDXNIFYCHTVDS-GFCCVEGCSA-N -1 1 329.385 2.342 20 0 EEADMM CSc1ccc(O)c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001168694066 797997185 /nfs/dbraw/zinc/99/71/85/797997185.db2.gz MOZFKNYFZQMHFB-CQSZACIVSA-N -1 1 341.396 2.147 20 0 EEADMM Cn1cc2c(cccc2Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])n1 ZINC001175594635 798156782 /nfs/dbraw/zinc/15/67/82/798156782.db2.gz UGOCDGUBZQJFOC-UHFFFAOYSA-N -1 1 346.368 2.289 20 0 EEADMM CNc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(Cl)c1 ZINC001168696311 798158561 /nfs/dbraw/zinc/15/85/61/798158561.db2.gz VPCLQFUSUBNJTF-CQSZACIVSA-N -1 1 342.790 2.414 20 0 EEADMM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)Oc1ccc(F)cc1 ZINC000821982047 798641492 /nfs/dbraw/zinc/64/14/92/798641492.db2.gz VATMGCIZGYURLB-SNVBAGLBSA-N -1 1 331.347 2.396 20 0 EEADMM Cc1cnc(CN[C@@H]2CCCC[C@H]2NC(=O)c2[nH]nc(C)c2[O-])s1 ZINC001085172922 798754206 /nfs/dbraw/zinc/75/42/06/798754206.db2.gz XXSCXUWAIIAFPA-VXGBXAGGSA-N -1 1 349.460 2.019 20 0 EEADMM CC(C)C(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003160958 799321775 /nfs/dbraw/zinc/32/17/75/799321775.db2.gz SJEHELYVCQKBRJ-GJZGRUSLSA-N -1 1 345.443 2.144 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001178797803 799625329 /nfs/dbraw/zinc/62/53/29/799625329.db2.gz SEBCYSICFYOARU-GFCCVEGCSA-N -1 1 328.328 2.043 20 0 EEADMM CC/C=C(/C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065935866 799778965 /nfs/dbraw/zinc/77/89/65/799778965.db2.gz HYZACEKHCRHUDL-CNTYAEFGSA-N -1 1 331.416 2.254 20 0 EEADMM CC[C@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066089417 799983678 /nfs/dbraw/zinc/98/36/78/799983678.db2.gz NYTLMFZRAWPGIK-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@](O)(CC(=O)Nc1nc(Br)ccc1[O-])C(F)(F)F ZINC001179805342 800110642 /nfs/dbraw/zinc/11/06/42/800110642.db2.gz ZWFNRABUSRWYRL-VIFPVBQESA-N -1 1 343.099 2.192 20 0 EEADMM N=C(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccc2ccccc2n1 ZINC001180176573 800285990 /nfs/dbraw/zinc/28/59/90/800285990.db2.gz HIJQEIGKQMFHOF-UHFFFAOYSA-N -1 1 343.236 2.032 20 0 EEADMM O=C(NC[C@@H]1CCCN1c1ncnc2ccccc21)c1ncccc1[O-] ZINC001061343837 800436408 /nfs/dbraw/zinc/43/64/08/800436408.db2.gz NEIUYJDBABFYAB-ZDUSSCGKSA-N -1 1 349.394 2.129 20 0 EEADMM O=C(CSCc1ccc(F)cc1)NCCCC[P@@](=O)([O-])O ZINC001180569737 800478554 /nfs/dbraw/zinc/47/85/54/800478554.db2.gz LYPMUSNOXPVCLS-UHFFFAOYSA-N -1 1 335.337 2.133 20 0 EEADMM CC1(C)CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)CC1 ZINC001085434806 800500970 /nfs/dbraw/zinc/50/09/70/800500970.db2.gz FGRCRJUKBKJCOX-ZIAGYGMSSA-N -1 1 349.479 2.244 20 0 EEADMM C[C@@H](SCc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000827916228 800534559 /nfs/dbraw/zinc/53/45/59/800534559.db2.gz NESZIVZNGTWRLP-GFCCVEGCSA-N -1 1 331.445 2.228 20 0 EEADMM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)NCc1cc[nH]c1 ZINC001181017559 800635918 /nfs/dbraw/zinc/63/59/18/800635918.db2.gz MEXDZADMSOUIRD-ZDUSSCGKSA-N -1 1 339.317 2.441 20 0 EEADMM CC(C)(C(=O)NCCCC[P@](=O)([O-])O)c1c(F)cccc1F ZINC001181191403 800702406 /nfs/dbraw/zinc/70/24/06/800702406.db2.gz MWQSVWUYWNIHBC-UHFFFAOYSA-N -1 1 335.287 2.317 20 0 EEADMM Cc1ccc(CC[N-]S(=O)(=O)c2ncn(C)c2Cl)c(C)c1 ZINC000065278239 801383127 /nfs/dbraw/zinc/38/31/27/801383127.db2.gz ZLZLNGRCRGVIRW-UHFFFAOYSA-N -1 1 327.837 2.211 20 0 EEADMM CSc1nc(NC(=O)[C@H](COC(C)=O)c2ccccc2)cc(=O)[n-]1 ZINC001183106924 801478649 /nfs/dbraw/zinc/47/86/49/801478649.db2.gz ODJASJNGETXIDG-GFCCVEGCSA-N -1 1 347.396 2.190 20 0 EEADMM Cc1cccn2cc(C[N-]C(=O)C(F)(F)OCC(F)(F)F)nc12 ZINC001183194650 801507589 /nfs/dbraw/zinc/50/75/89/801507589.db2.gz MHKQHAHMXFWLHQ-UHFFFAOYSA-N -1 1 337.248 2.431 20 0 EEADMM C/C(=C\C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001004749237 802744425 /nfs/dbraw/zinc/74/44/25/802744425.db2.gz HBDRBEPNYFUGJA-YOMTVTAXSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H]1CCN(C(=O)C2(C)CC=CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004768151 802854900 /nfs/dbraw/zinc/85/49/00/802854900.db2.gz NOFZTPKGYYGVBI-ZIAGYGMSSA-N -1 1 343.427 2.110 20 0 EEADMM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]1 ZINC000789739028 808177921 /nfs/dbraw/zinc/17/79/21/808177921.db2.gz IPHVMIUWSHSUGR-UHFFFAOYSA-N -1 1 335.341 2.133 20 0 EEADMM CCO[C@H]1C[C@](NCc2cn(-c3ccccc3)nn2)(C(=O)[O-])C1(C)C ZINC000789903811 808275393 /nfs/dbraw/zinc/27/53/93/808275393.db2.gz MXCJFLUZTIDFNI-YJBOKZPZSA-N -1 1 344.415 2.015 20 0 EEADMM COc1cc(CC(=O)Nc2nc(Cl)ccc2[O-])cc(OC)c1O ZINC000790047279 808376216 /nfs/dbraw/zinc/37/62/16/808376216.db2.gz IWCOCSFQAACQJI-UHFFFAOYSA-N -1 1 338.747 2.345 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C=Cc2ccco2)n[n-]1 ZINC000791286360 809174422 /nfs/dbraw/zinc/17/44/22/809174422.db2.gz YQCILRIDRMALMT-MEJMFZKBSA-N -1 1 346.387 2.491 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C=Cc2ccco2)[n-]1 ZINC000791286360 809174428 /nfs/dbraw/zinc/17/44/28/809174428.db2.gz YQCILRIDRMALMT-MEJMFZKBSA-N -1 1 346.387 2.491 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C=Cc2ccco2)n1 ZINC000791286360 809174432 /nfs/dbraw/zinc/17/44/32/809174432.db2.gz YQCILRIDRMALMT-MEJMFZKBSA-N -1 1 346.387 2.491 20 0 EEADMM CC[C@H](Cc1ccc2c(c1)OCO2)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170418561 809968556 /nfs/dbraw/zinc/96/85/56/809968556.db2.gz VRXAQVRTQQJYCU-SNVBAGLBSA-N -1 1 327.344 2.220 20 0 EEADMM COCCCO[N-]C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000805040739 811121551 /nfs/dbraw/zinc/12/15/51/811121551.db2.gz WEKCYKOGOVBAEW-UHFFFAOYSA-N -1 1 349.456 2.485 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cscn1 ZINC000805542511 811340673 /nfs/dbraw/zinc/34/06/73/811340673.db2.gz PYHFZVYSMMCMGC-UHFFFAOYSA-N -1 1 347.327 2.213 20 0 EEADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000805604357 811366711 /nfs/dbraw/zinc/36/67/11/811366711.db2.gz FYOYSXNMOUWBPI-RYUDHWBXSA-N -1 1 338.367 2.381 20 0 EEADMM CC(C)[C@H](OC(=O)c1cn[n-]n1)C(=O)N1CCSc2ccccc21 ZINC000805605753 811370675 /nfs/dbraw/zinc/37/06/75/811370675.db2.gz PVEOVRROSFBLHE-AWEZNQCLSA-N -1 1 346.412 2.125 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1CCCCO1 ZINC000806020889 811709368 /nfs/dbraw/zinc/70/93/68/811709368.db2.gz XJKZWMSLIFCVKN-OAHLLOKOSA-N -1 1 343.383 2.207 20 0 EEADMM O=C([O-])[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1F ZINC000797723942 939186808 /nfs/dbraw/zinc/18/68/08/939186808.db2.gz GVXWJPUPLCFAEZ-JSGCOSHPSA-N -1 1 332.335 2.051 20 0 EEADMM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC001601868969 971086120 /nfs/dbraw/zinc/08/61/20/971086120.db2.gz GCEWJOCPIWQOFG-KRWDZBQOSA-N -1 1 348.358 2.352 20 0 EEADMM CC(=O)c1cc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cs1 ZINC001573554340 946895869 /nfs/dbraw/zinc/89/58/69/946895869.db2.gz QKLWKHNTRLVMIA-UHFFFAOYSA-N -1 1 334.386 2.148 20 0 EEADMM CC(=O)c1cc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cs1 ZINC001573554340 946895874 /nfs/dbraw/zinc/89/58/74/946895874.db2.gz QKLWKHNTRLVMIA-UHFFFAOYSA-N -1 1 334.386 2.148 20 0 EEADMM Cc1onc(CC(=O)N(CC(C)C)C2CCCC2)c1-c1nnn[n-]1 ZINC000826343516 947993485 /nfs/dbraw/zinc/99/34/85/947993485.db2.gz DNVCXKMBODRGGB-UHFFFAOYSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N(CC(C)C)C2CCCC2)c1-c1nn[n-]n1 ZINC000826343516 947993491 /nfs/dbraw/zinc/99/34/91/947993491.db2.gz DNVCXKMBODRGGB-UHFFFAOYSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)cc2F)c1-c1nnn[n-]1 ZINC000826348314 948069585 /nfs/dbraw/zinc/06/95/85/948069585.db2.gz GUGFOCGUFFRIQC-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)cc2F)c1-c1nn[n-]n1 ZINC000826348314 948069598 /nfs/dbraw/zinc/06/95/98/948069598.db2.gz GUGFOCGUFFRIQC-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM CCN(CCNc1cc(-c2nnn[n-]2)nc(C)n1)c1cccc(C)c1 ZINC001570934462 948938421 /nfs/dbraw/zinc/93/84/21/948938421.db2.gz DZMMNPRJIGDFCC-UHFFFAOYSA-N -1 1 338.419 2.212 20 0 EEADMM CCN(CCNc1cc(-c2nn[n-]n2)nc(C)n1)c1cccc(C)c1 ZINC001570934462 948938432 /nfs/dbraw/zinc/93/84/32/948938432.db2.gz DZMMNPRJIGDFCC-UHFFFAOYSA-N -1 1 338.419 2.212 20 0 EEADMM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001570935632 948989461 /nfs/dbraw/zinc/98/94/61/948989461.db2.gz PBMQTNCYMXJQJR-CYBMUJFWSA-N -1 1 338.371 2.157 20 0 EEADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC001589591820 949095240 /nfs/dbraw/zinc/09/52/40/949095240.db2.gz LDFWCLWZDMQKTK-LJQANCHMSA-N -1 1 332.444 2.264 20 0 EEADMM Cc1cnc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001570951139 949723002 /nfs/dbraw/zinc/72/30/02/949723002.db2.gz HXQOAZGUNBZUSH-QMMMGPOBSA-N -1 1 349.445 2.254 20 0 EEADMM CC(C)c1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576213831 950652347 /nfs/dbraw/zinc/65/23/47/950652347.db2.gz JDPZLGZANCEEDA-LLVKDONJSA-N -1 1 342.407 2.069 20 0 EEADMM CC(C)c1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576213831 950652363 /nfs/dbraw/zinc/65/23/63/950652363.db2.gz JDPZLGZANCEEDA-LLVKDONJSA-N -1 1 342.407 2.069 20 0 EEADMM CC(C)(C)c1cccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001573882199 950772239 /nfs/dbraw/zinc/77/22/39/950772239.db2.gz XJYMHSCVFAJAGU-UHFFFAOYSA-N -1 1 336.399 2.489 20 0 EEADMM CC(C)(C)c1cccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001573882199 950772254 /nfs/dbraw/zinc/77/22/54/950772254.db2.gz XJYMHSCVFAJAGU-UHFFFAOYSA-N -1 1 336.399 2.489 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccco2)n1 ZINC001573888589 950870520 /nfs/dbraw/zinc/87/05/20/950870520.db2.gz WPOLIGVEQMSCCP-SREVYHEPSA-N -1 1 327.348 2.063 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccco2)n1 ZINC001573888589 950870541 /nfs/dbraw/zinc/87/05/41/950870541.db2.gz WPOLIGVEQMSCCP-SREVYHEPSA-N -1 1 327.348 2.063 20 0 EEADMM 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CC(C)c1n[nH]c(NC(=O)c2ncc(Br)cc2[O-])n1 ZINC001464709724 1110401129 /nfs/dbraw/zinc/40/11/29/1110401129.db2.gz DQYZZDGWIOAGMN-UHFFFAOYSA-N -1 1 326.154 2.044 20 0 EEADMM CC(C)c1nc(NC(=O)c2ncc(Br)cc2[O-])n[nH]1 ZINC001464709724 1110401130 /nfs/dbraw/zinc/40/11/30/1110401130.db2.gz DQYZZDGWIOAGMN-UHFFFAOYSA-N -1 1 326.154 2.044 20 0 EEADMM CNC(=O)c1cc2cc(NC(=O)c3c([O-])cccc3OC)ccc2[nH]1 ZINC001467659756 1110461143 /nfs/dbraw/zinc/46/11/43/1110461143.db2.gz XKOIGNRLJMDOKB-UHFFFAOYSA-N -1 1 339.351 2.494 20 0 EEADMM Cc1c(NC(=O)c2ccccc2[O-])cccc1S(=O)(=O)N(C)C ZINC001468963590 1110482879 /nfs/dbraw/zinc/48/28/79/1110482879.db2.gz YEFAMMPKHNJWAX-UHFFFAOYSA-N -1 1 334.397 2.203 20 0 EEADMM CSc1ccc([O-])c(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC001472483748 1110557344 /nfs/dbraw/zinc/55/73/44/1110557344.db2.gz TVEOFSPHNDWCID-UHFFFAOYSA-N -1 1 327.369 2.342 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001472545124 1110558908 /nfs/dbraw/zinc/55/89/08/1110558908.db2.gz 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CCOCCCn1c(-c2c[n-][nH]c2=O)nnc1N1C[C@@H](C)C[C@H]1C ZINC001516477979 1119006280 /nfs/dbraw/zinc/00/62/80/1119006280.db2.gz UJTUAFXGJKTOBP-NWDGAFQWSA-N -1 1 334.424 2.035 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(c2ccccn2)CCC1 ZINC001521574106 1119262098 /nfs/dbraw/zinc/26/20/98/1119262098.db2.gz ARFYWXDYRAVBRR-UHFFFAOYSA-N -1 1 330.413 2.026 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@@]2(CCSC2)C1 ZINC001521653100 1119266994 /nfs/dbraw/zinc/26/69/94/1119266994.db2.gz ONHMUPHSONAUMX-CQSZACIVSA-N -1 1 325.459 2.139 20 0 EEADMM Cc1cnc(C(=O)N[C@@H]2CCO[C@@H]2c2cnn(C(C)C)c2)c([O-])c1 ZINC001549401495 1121238780 /nfs/dbraw/zinc/23/87/80/1121238780.db2.gz ATDHYUNUFCCKLT-CZUORRHYSA-N -1 1 330.388 2.133 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@@H]1C1CC1 ZINC001550374346 1121778998 /nfs/dbraw/zinc/77/89/98/1121778998.db2.gz KXURALDOTSGHDT-ZIAGYGMSSA-N -1 1 325.368 2.260 20 0 EEADMM Cc1ccnc(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2C(C)C)c1[O-] ZINC001550409319 1121802758 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EEADMM COCc1ncc(C(=O)N2CCC[C@@]2(C)c2ccccc2)c(=O)[n-]1 ZINC001550892127 1124162724 /nfs/dbraw/zinc/16/27/24/1124162724.db2.gz NNBUUQYOOFIGBB-SFHVURJKSA-N -1 1 327.384 2.480 20 0 EEADMM CC(C)n1cc([C@@H]2CN(C(=O)c3ccc([O-])c(F)c3)C[C@@H]2CO)cn1 ZINC001548446119 1124290522 /nfs/dbraw/zinc/29/05/22/1124290522.db2.gz RVOIDAFNVJUXNE-CABCVRRESA-N -1 1 347.390 2.157 20 0 EEADMM CO[C@H]1C[C@H](c2nnc(C3CC3)[nH]2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC001548502537 1124311135 /nfs/dbraw/zinc/31/11/35/1124311135.db2.gz ZRJKHSGWWCNARR-WCQYABFASA-N -1 1 346.362 2.129 20 0 EEADMM O=C(c1ccc2c(c1)Cc1ccccc1-2)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548768156 1124490451 /nfs/dbraw/zinc/49/04/51/1124490451.db2.gz KJEDICXUHZKIAV-AWEZNQCLSA-N -1 1 331.379 2.401 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548768598 1124490772 /nfs/dbraw/zinc/49/07/72/1124490772.db2.gz NYNNLQZCHMIMMN-ZIAGYGMSSA-N -1 1 341.415 2.034 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548768592 1124490788 /nfs/dbraw/zinc/49/07/88/1124490788.db2.gz NYNNLQZCHMIMMN-KBPBESRZSA-N -1 1 341.415 2.034 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000050513599 214058478 /nfs/dbraw/zinc/05/84/78/214058478.db2.gz PNNFPLOVDPEDQK-CYBMUJFWSA-N -1 1 325.411 2.249 20 0 EEADMM CCC(CC)([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)OC ZINC000337964747 282142586 /nfs/dbraw/zinc/14/25/86/282142586.db2.gz NKDYJCGOSPVFQS-UHFFFAOYSA-N -1 1 335.372 2.116 20 0 EEADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000055595151 214332992 /nfs/dbraw/zinc/33/29/92/214332992.db2.gz LZLNHZJOENZCHZ-UHFFFAOYSA-N -1 1 334.397 2.041 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F ZINC000055619104 214333970 /nfs/dbraw/zinc/33/39/70/214333970.db2.gz BXNCNCRWGUSMBA-UHFFFAOYSA-N -1 1 338.316 2.070 20 0 EEADMM Cn1cc(C(=O)[N-]N2Cc3ccccc3C2=O)c(-c2ccccc2)n1 ZINC000183836696 781922764 /nfs/dbraw/zinc/92/27/64/781922764.db2.gz PPKBSSCGZNGVOC-UHFFFAOYSA-N -1 1 332.363 2.388 20 0 EEADMM O=S(=O)([N-]c1cccc(CN2CCOCC2)c1)c1ccccc1 ZINC000153921417 539476709 /nfs/dbraw/zinc/47/67/09/539476709.db2.gz IUFDONDNESJKNR-UHFFFAOYSA-N -1 1 332.425 2.320 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)co1 ZINC000159208088 539514448 /nfs/dbraw/zinc/51/44/48/539514448.db2.gz HGWNYOWBZQLLLH-SECBINFHSA-N -1 1 342.804 2.332 20 0 EEADMM O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(Br)c([O-])c1 ZINC000161861134 539529827 /nfs/dbraw/zinc/52/98/27/539529827.db2.gz XHKYCLFBJWWJJH-JGZJWPJOSA-N -1 1 328.206 2.436 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(N2CCCC2)nc1 ZINC000066638260 215062334 /nfs/dbraw/zinc/06/23/34/215062334.db2.gz LVIOWYJCOUGUEZ-UHFFFAOYSA-N -1 1 344.444 2.201 20 0 EEADMM CSc1nc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c2ccccn21 ZINC000067841134 215227505 /nfs/dbraw/zinc/22/75/05/215227505.db2.gz CVLZLGPSGPKUGU-UHFFFAOYSA-N -1 1 342.306 2.445 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)CCOC(C)C)CC1 ZINC000068452879 215309720 /nfs/dbraw/zinc/30/97/20/215309720.db2.gz PILTVXMCRRYPDY-UHFFFAOYSA-N 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CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765464394 577501484 /nfs/dbraw/zinc/50/14/84/577501484.db2.gz NRPVPZIQKONDJG-CQSZACIVSA-N -1 1 335.429 2.110 20 0 EEADMM CCCC(O)(CCC)CNC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000766004345 577511089 /nfs/dbraw/zinc/51/10/89/577511089.db2.gz DLIBEGNUZPGMIU-NSHDSACASA-N -1 1 340.386 2.137 20 0 EEADMM Cc1cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)ccc1N1CCCC1 ZINC000766029744 577511439 /nfs/dbraw/zinc/51/14/39/577511439.db2.gz LLPGCPLLFHMANC-OAHLLOKOSA-N -1 1 345.443 2.330 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000766811988 577525161 /nfs/dbraw/zinc/52/51/61/577525161.db2.gz RUXBGKBYTBQZFF-ZBFHGGJFSA-N -1 1 347.411 2.472 20 0 EEADMM Cc1ccc(F)c(OCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000767531429 577538998 /nfs/dbraw/zinc/53/89/98/577538998.db2.gz XXQRKFMAXKYOBN-UHFFFAOYSA-N -1 1 345.326 2.013 20 0 EEADMM Cn1cc(C=CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000769282713 577574047 /nfs/dbraw/zinc/57/40/47/577574047.db2.gz PPGOUSUYBTWBPX-FARCUNLSSA-N -1 1 339.395 2.260 20 0 EEADMM CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccnc2F)c1C ZINC000769916044 577587088 /nfs/dbraw/zinc/58/70/88/577587088.db2.gz AWIOOVIQPVYKGO-UHFFFAOYSA-N -1 1 342.348 2.110 20 0 EEADMM O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000770838536 577604525 /nfs/dbraw/zinc/60/45/25/577604525.db2.gz XZJGZSMBDDZOLS-UKRRQHHQSA-N -1 1 335.787 2.260 20 0 EEADMM CCOc1cc(C(=O)NC2(C(=O)NC)CCCC2)cc(Cl)c1[O-] ZINC000762590947 577703956 /nfs/dbraw/zinc/70/39/56/577703956.db2.gz BSBJBDKFQJDPHX-UHFFFAOYSA-N -1 1 340.807 2.233 20 0 EEADMM N[C@@H](C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000763018309 577712654 /nfs/dbraw/zinc/71/26/54/577712654.db2.gz IFKDVZNJFSCYIL-CYBMUJFWSA-N -1 1 332.322 2.466 20 0 EEADMM CC[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C(=O)OC(C)(C)C ZINC000763815157 577726608 /nfs/dbraw/zinc/72/66/08/577726608.db2.gz PVBMXIAFSZVJDW-LLVKDONJSA-N -1 1 337.420 2.464 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C=O)c1nc(C(C)(C)C)no1 ZINC000751462920 577753397 /nfs/dbraw/zinc/75/33/97/577753397.db2.gz OKCHBCKBWFSJMB-SNVBAGLBSA-N -1 1 337.401 2.219 20 0 EEADMM CCC(CC)(CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C(=O)OC ZINC000752258407 577768130 /nfs/dbraw/zinc/76/81/30/577768130.db2.gz BKOHXXAODORKNL-UHFFFAOYSA-N -1 1 337.420 2.323 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c1Cl ZINC000742311335 577870862 /nfs/dbraw/zinc/87/08/62/577870862.db2.gz AVKXBVSQIKFPEA-FZMZJTMJSA-N -1 1 325.821 2.082 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000743821374 577890200 /nfs/dbraw/zinc/89/02/00/577890200.db2.gz NGGVZQKFPIZYJG-CQSZACIVSA-N -1 1 334.759 2.475 20 0 EEADMM CC(=O)N[C@@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])C1CCCC1 ZINC000744529796 577899513 /nfs/dbraw/zinc/89/95/13/577899513.db2.gz OVWCZUFWMUCZFY-GOSISDBHSA-N -1 1 347.411 2.375 20 0 EEADMM CCC(=O)N1CCCC[C@H]1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744820749 577903736 /nfs/dbraw/zinc/90/37/36/577903736.db2.gz WMNRHRVOBBCKOM-INIZCTEOSA-N -1 1 347.411 2.472 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744820751 577903758 /nfs/dbraw/zinc/90/37/58/577903758.db2.gz WMNRHRVOBBCKOM-MRXNPFEDSA-N -1 1 347.411 2.472 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000747360457 577943022 /nfs/dbraw/zinc/94/30/22/577943022.db2.gz NWBIFWRSUZDSCW-UHFFFAOYSA-N -1 1 338.371 2.447 20 0 EEADMM CCCCNC(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750551257 577995068 /nfs/dbraw/zinc/99/50/68/577995068.db2.gz KUESMQCERKEBGE-UHFFFAOYSA-N -1 1 330.178 2.228 20 0 EEADMM Cn1cc([C@H](NCC(=O)Nc2ccccc2C(=O)[O-])C(C)(C)C)cn1 ZINC000739027640 578035720 /nfs/dbraw/zinc/03/57/20/578035720.db2.gz POBQVLPEDSSGEE-INIZCTEOSA-N -1 1 344.415 2.434 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000739440642 578053657 /nfs/dbraw/zinc/05/36/57/578053657.db2.gz NXWZHINDVWMZLW-UHFFFAOYSA-N -1 1 337.339 2.287 20 0 EEADMM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000739545213 578057816 /nfs/dbraw/zinc/05/78/16/578057816.db2.gz RRKNZGRWDQCISW-ROUUACIJSA-N -1 1 338.407 2.205 20 0 EEADMM O=C([O-])c1coc(CN2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000740269394 578088341 /nfs/dbraw/zinc/08/83/41/578088341.db2.gz QFXLGJGRLKMGJE-UHFFFAOYSA-N -1 1 328.368 2.372 20 0 EEADMM Cc1nnc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])o1 ZINC000740924389 578109346 /nfs/dbraw/zinc/10/93/46/578109346.db2.gz UTNSMFIJJKBNQM-UHFFFAOYSA-N -1 1 348.359 2.361 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735710555 578164647 /nfs/dbraw/zinc/16/46/47/578164647.db2.gz VCENLOKCIDQKMA-OAHLLOKOSA-N -1 1 336.399 2.431 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735710555 578164648 /nfs/dbraw/zinc/16/46/48/578164648.db2.gz VCENLOKCIDQKMA-OAHLLOKOSA-N -1 1 336.399 2.431 20 0 EEADMM CC1(C)C[N@H+](CCNc2ccc(Cl)cc2-c2nn[nH]n2)CCO1 ZINC000736214715 578188363 /nfs/dbraw/zinc/18/83/63/578188363.db2.gz ULICDCWWFMYRSS-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CC1(C)C[N@@H+](CCNc2ccc(Cl)cc2-c2nn[nH]n2)CCO1 ZINC000736214715 578188364 /nfs/dbraw/zinc/18/83/64/578188364.db2.gz ULICDCWWFMYRSS-UHFFFAOYSA-N -1 1 336.827 2.043 20 0 EEADMM CCc1nn(Cc2c(C)cccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706230 578219440 /nfs/dbraw/zinc/21/94/40/578219440.db2.gz JCYRROHTGUYEGG-UHFFFAOYSA-N -1 1 338.415 2.213 20 0 EEADMM CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2C(=O)[O-])NC(=S)N1 ZINC000736749425 578221728 /nfs/dbraw/zinc/22/17/28/578221728.db2.gz YKSKVDVKBHXFAA-AWEZNQCLSA-N -1 1 348.424 2.377 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](c2ccccc2C)C1)C(=O)[O-] ZINC000736874816 578227682 /nfs/dbraw/zinc/22/76/82/578227682.db2.gz DRHFGPWZTADSHN-JCKWVBRZSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737252429 578246134 /nfs/dbraw/zinc/24/61/34/578246134.db2.gz HRLMNNGHASTHGJ-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737252429 578246135 /nfs/dbraw/zinc/24/61/35/578246135.db2.gz HRLMNNGHASTHGJ-CYBMUJFWSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000737296718 578248797 /nfs/dbraw/zinc/24/87/97/578248797.db2.gz MXVFCHRPQRUDES-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1ccc([C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000737320380 578250249 /nfs/dbraw/zinc/25/02/49/578250249.db2.gz PWRJWXQTOZJJDY-LURJTMIESA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc([C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000737320380 578250250 /nfs/dbraw/zinc/25/02/50/578250250.db2.gz PWRJWXQTOZJJDY-LURJTMIESA-N -1 1 326.769 2.024 20 0 EEADMM Cc1c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)oc2c1c(C)ccc2C ZINC000737326136 578250506 /nfs/dbraw/zinc/25/05/06/578250506.db2.gz MEFJPWCZIYXYED-GFCCVEGCSA-N -1 1 341.371 2.085 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000737358008 578252376 /nfs/dbraw/zinc/25/23/76/578252376.db2.gz GWUSVIGVVNBLGF-QGZVFWFLSA-N -1 1 326.396 2.174 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737426280 578256937 /nfs/dbraw/zinc/25/69/37/578256937.db2.gz KRLNZIPCJYJYOA-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737426280 578256938 /nfs/dbraw/zinc/25/69/38/578256938.db2.gz KRLNZIPCJYJYOA-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000819370632 597115704 /nfs/dbraw/zinc/11/57/04/597115704.db2.gz COGLBRXHGHYJPZ-SECBINFHSA-N -1 1 342.189 2.482 20 0 EEADMM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)n[nH]1 ZINC000818994729 597121799 /nfs/dbraw/zinc/12/17/99/597121799.db2.gz QGTMTEVOGFMWCQ-CYBMUJFWSA-N -1 1 343.387 2.152 20 0 EEADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(OC)c1OC ZINC000821834990 607314803 /nfs/dbraw/zinc/31/48/03/607314803.db2.gz ABQRJPQMBLUXTA-UHFFFAOYSA-N -1 1 331.332 2.098 20 0 EEADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(OC)c1OC ZINC000821834990 607314804 /nfs/dbraw/zinc/31/48/04/607314804.db2.gz ABQRJPQMBLUXTA-UHFFFAOYSA-N -1 1 331.332 2.098 20 0 EEADMM CN(CC(=O)[O-])Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000820569118 598118386 /nfs/dbraw/zinc/11/83/86/598118386.db2.gz KSSRWKOUPCZBNK-UHFFFAOYSA-N -1 1 347.440 2.163 20 0 EEADMM CC[C@H](C)[C@H](NCC(=O)NC(=O)Nc1ccc(C)cc1C)C(=O)[O-] ZINC000263194031 598187293 /nfs/dbraw/zinc/18/72/93/598187293.db2.gz WDPAMRVFNKKMGT-NHYWBVRUSA-N -1 1 335.404 2.040 20 0 EEADMM COc1ccccc1N1CC[C@H](NCc2cccc(C(=O)[O-])c2)C1=O ZINC000263437922 598192612 /nfs/dbraw/zinc/19/26/12/598192612.db2.gz VHINGFPOLLWFJZ-HNNXBMFYSA-N -1 1 340.379 2.289 20 0 EEADMM c1ccc2c(c1)OC[C@H]2Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000823802441 599505137 /nfs/dbraw/zinc/50/51/37/599505137.db2.gz OFIILTNOTLKFFN-MRXNPFEDSA-N -1 1 330.351 2.382 20 0 EEADMM c1ccc2c(c1)OC[C@H]2Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000823802441 599505139 /nfs/dbraw/zinc/50/51/39/599505139.db2.gz OFIILTNOTLKFFN-MRXNPFEDSA-N -1 1 330.351 2.382 20 0 EEADMM CO[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)C(C)(C)C ZINC000821676921 599687174 /nfs/dbraw/zinc/68/71/74/599687174.db2.gz JYIXNQNSOGSCJY-GFCCVEGCSA-N -1 1 327.392 2.283 20 0 EEADMM CO[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)C(C)(C)C ZINC000821676921 599687175 /nfs/dbraw/zinc/68/71/75/599687175.db2.gz JYIXNQNSOGSCJY-GFCCVEGCSA-N -1 1 327.392 2.283 20 0 EEADMM CC(=O)NC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000825871522 600820482 /nfs/dbraw/zinc/82/04/82/600820482.db2.gz SVNLNNPFFSQGHB-UHFFFAOYSA-N -1 1 340.807 2.018 20 0 EEADMM CC(C)C1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000826735184 600834241 /nfs/dbraw/zinc/83/42/41/600834241.db2.gz AIHJWKRFJCLJIO-SFHVURJKSA-N -1 1 344.455 2.393 20 0 EEADMM Cn1ccc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)cc1=O ZINC000833054443 600861336 /nfs/dbraw/zinc/86/13/36/600861336.db2.gz BKSDONPDDVXVBZ-UHFFFAOYSA-N -1 1 336.338 2.140 20 0 EEADMM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)N(C)Cc1ccccc1 ZINC000826005523 600972531 /nfs/dbraw/zinc/97/25/31/600972531.db2.gz YBULPUKKBQXTMO-MAUKXSAKSA-N -1 1 340.423 2.492 20 0 EEADMM C[C@@]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)[O-])C1CC1 ZINC000827740918 601030829 /nfs/dbraw/zinc/03/08/29/601030829.db2.gz FUOTUBHQBHDALF-KRWDZBQOSA-N -1 1 327.340 2.425 20 0 EEADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1nnc[nH]1 ZINC000830869802 601040566 /nfs/dbraw/zinc/04/05/66/601040566.db2.gz KGKHRVFUYSFFSJ-UHFFFAOYSA-N -1 1 329.385 2.258 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(OC3CCC3)cc2)CC1 ZINC000827378827 601084558 /nfs/dbraw/zinc/08/45/58/601084558.db2.gz AMYCWVVJMXFDQP-AWEZNQCLSA-N -1 1 346.427 2.239 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000827354311 601095747 /nfs/dbraw/zinc/09/57/47/601095747.db2.gz DUVBQFFVKLBEBB-YBJDMEARSA-N -1 1 336.819 2.361 20 0 EEADMM CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000830104576 601362519 /nfs/dbraw/zinc/36/25/19/601362519.db2.gz ISRHFBIGSJRXKL-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCN(C)CC23CCCCC3)c(C)c1C(=O)[O-] ZINC000832844501 601382995 /nfs/dbraw/zinc/38/29/95/601382995.db2.gz RITDXFCGBSPXEE-UHFFFAOYSA-N -1 1 347.459 2.463 20 0 EEADMM C[C@@H]1CN(CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828432461 601507908 /nfs/dbraw/zinc/50/79/08/601507908.db2.gz NODGRWYOLAOGLB-PBHICJAKSA-N -1 1 342.395 2.465 20 0 EEADMM COCCCn1c(C)cc(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000831705264 601936460 /nfs/dbraw/zinc/93/64/60/601936460.db2.gz HNQAPZIVONZTTN-GOSISDBHSA-N -1 1 336.432 2.121 20 0 EEADMM CCc1cc2c(C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224146 601940643 /nfs/dbraw/zinc/94/06/43/601940643.db2.gz GGJJETGDHMKVAK-SFHVURJKSA-N -1 1 331.368 2.358 20 0 EEADMM CCc1cc2c(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)cc(=O)oc2cc1[O-] ZINC000830224146 601940646 /nfs/dbraw/zinc/94/06/46/601940646.db2.gz GGJJETGDHMKVAK-SFHVURJKSA-N -1 1 331.368 2.358 20 0 EEADMM O=C([O-])CS(=O)(=O)Cc1ccc(CNCc2ccsc2)cc1 ZINC000833261559 601978416 /nfs/dbraw/zinc/97/84/16/601978416.db2.gz BKKPRWPRKSGGPD-UHFFFAOYSA-N -1 1 339.438 2.037 20 0 EEADMM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000828455484 602093848 /nfs/dbraw/zinc/09/38/48/602093848.db2.gz CXSLOCREQBYYSY-RRFJBIMHSA-N -1 1 348.443 2.023 20 0 EEADMM C[C@H](CC(=O)[O-])C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000827281580 602154166 /nfs/dbraw/zinc/15/41/66/602154166.db2.gz PODOSHURLDRGOD-CQSZACIVSA-N -1 1 340.464 2.027 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(F)c1 ZINC000830582187 602361601 /nfs/dbraw/zinc/36/16/01/602361601.db2.gz ZLMYWFPXGOLGRV-HNNXBMFYSA-N -1 1 348.378 2.287 20 0 EEADMM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000827915355 604766799 /nfs/dbraw/zinc/76/67/99/604766799.db2.gz NFPYJULZFFLYRI-WDEREUQCSA-N -1 1 345.424 2.262 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCCOC(C)(C)C ZINC000826294930 607717873 /nfs/dbraw/zinc/71/78/73/607717873.db2.gz JXYOQZJHMQZYEJ-UHFFFAOYSA-N -1 1 342.403 2.090 20 0 EEADMM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833755148 604901628 /nfs/dbraw/zinc/90/16/28/604901628.db2.gz BIJFDEZRZAPLBQ-LBPRGKRZSA-N -1 1 348.428 2.258 20 0 EEADMM CC(C)(C)OC(=O)Nc1cccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000833445419 604920677 /nfs/dbraw/zinc/92/06/77/604920677.db2.gz VBGSDJUKDPQFOO-KGLIPLIRSA-N -1 1 336.388 2.053 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000833782078 604929694 /nfs/dbraw/zinc/92/96/94/604929694.db2.gz LXHHPTAZTUHERP-NWDGAFQWSA-N -1 1 333.306 2.009 20 0 EEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000833754219 605007072 /nfs/dbraw/zinc/00/70/72/605007072.db2.gz SCZFPJIKRHWNDH-UHFFFAOYSA-N -1 1 340.336 2.002 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000833768049 605024847 /nfs/dbraw/zinc/02/48/47/605024847.db2.gz XEIXWQUIWNGICO-KURKYZTESA-N -1 1 349.390 2.479 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)[nH]c21 ZINC000833717346 605059186 /nfs/dbraw/zinc/05/91/86/605059186.db2.gz ZENQVGZPRPQROL-NXEZZACHSA-N -1 1 345.355 2.179 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\SCc1ccco1 ZINC000833618510 605101778 /nfs/dbraw/zinc/10/17/78/605101778.db2.gz BSVGJPPLUIAEHU-PRFOUVDFSA-N -1 1 338.429 2.034 20 0 EEADMM COc1ccc(C2(NCC(=O)NC3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC000833730970 605138256 /nfs/dbraw/zinc/13/82/56/605138256.db2.gz NEQXZUMZKUIWRJ-UHFFFAOYSA-N -1 1 346.427 2.178 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCN1CCC(=O)[O-] ZINC000833624822 605256839 /nfs/dbraw/zinc/25/68/39/605256839.db2.gz WLRMSNVDRNSNMV-LLVKDONJSA-N -1 1 349.818 2.442 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2)CCN1CCC(=O)[O-] ZINC000833620214 605256857 /nfs/dbraw/zinc/25/68/57/605256857.db2.gz FOSYQVAPZXLOSO-AWEZNQCLSA-N -1 1 326.396 2.461 20 0 EEADMM COc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833731618 605277820 /nfs/dbraw/zinc/27/78/20/605277820.db2.gz LFWZBYXDOMJYSV-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM COc1cc2cc[nH+]cc2cc1OS(=O)(=O)c1c[n-]c(C(=O)[O-])c1 ZINC000833729866 605301642 /nfs/dbraw/zinc/30/16/42/605301642.db2.gz GJCDYHOAJVFRKS-UHFFFAOYSA-N -1 1 348.336 2.037 20 0 EEADMM COCC1(O)CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833722953 605385315 /nfs/dbraw/zinc/38/53/15/605385315.db2.gz TVQAQVZXDUEINX-CYBMUJFWSA-N -1 1 331.771 2.078 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2N1 ZINC000820044331 606287805 /nfs/dbraw/zinc/28/78/05/606287805.db2.gz FQSFLDUYYJQGNL-HNNXBMFYSA-N -1 1 349.398 2.359 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2N1 ZINC000820044331 606287807 /nfs/dbraw/zinc/28/78/07/606287807.db2.gz FQSFLDUYYJQGNL-HNNXBMFYSA-N -1 1 349.398 2.359 20 0 EEADMM CCOC(=O)C[C@@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821325114 606466792 /nfs/dbraw/zinc/46/67/92/606466792.db2.gz BSRNCDQNPUXKKX-SSDOTTSWSA-N -1 1 327.797 2.349 20 0 EEADMM CCOC(=O)C[C@@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821325114 606466793 /nfs/dbraw/zinc/46/67/93/606466793.db2.gz BSRNCDQNPUXKKX-SSDOTTSWSA-N -1 1 327.797 2.349 20 0 EEADMM Cc1ccccc1OCCN(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822366925 606496926 /nfs/dbraw/zinc/49/69/26/606496926.db2.gz WWEKQRDOGLXLPN-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM Cc1ccccc1OCCN(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822366925 606496927 /nfs/dbraw/zinc/49/69/27/606496927.db2.gz WWEKQRDOGLXLPN-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821127114 606556951 /nfs/dbraw/zinc/55/69/51/606556951.db2.gz BOLDQMLJTSOSGE-LLVKDONJSA-N -1 1 335.433 2.350 20 0 EEADMM CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821127114 606556953 /nfs/dbraw/zinc/55/69/53/606556953.db2.gz BOLDQMLJTSOSGE-LLVKDONJSA-N -1 1 335.433 2.350 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)c(Cl)[nH]1 ZINC000823436111 606648368 /nfs/dbraw/zinc/64/83/68/606648368.db2.gz HDYIJNLBSUNIQS-UHFFFAOYSA-N -1 1 339.142 2.254 20 0 EEADMM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823380288 606689292 /nfs/dbraw/zinc/68/92/92/606689292.db2.gz UZKZABAKQURXGG-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525293 606744814 /nfs/dbraw/zinc/74/48/14/606744814.db2.gz KXZOGPKWTLCFLD-WDEREUQCSA-N -1 1 345.428 2.292 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000823525293 606744816 /nfs/dbraw/zinc/74/48/16/606744816.db2.gz KXZOGPKWTLCFLD-WDEREUQCSA-N -1 1 345.428 2.292 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000823525291 606744846 /nfs/dbraw/zinc/74/48/46/606744846.db2.gz KXZOGPKWTLCFLD-MNOVXSKESA-N -1 1 345.428 2.292 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000823525291 606744848 /nfs/dbraw/zinc/74/48/48/606744848.db2.gz KXZOGPKWTLCFLD-MNOVXSKESA-N -1 1 345.428 2.292 20 0 EEADMM C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824939962 607865935 /nfs/dbraw/zinc/86/59/35/607865935.db2.gz YLKNPBQFQHSTFJ-PWSUYJOCSA-N -1 1 333.367 2.080 20 0 EEADMM C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824939962 607865936 /nfs/dbraw/zinc/86/59/36/607865936.db2.gz YLKNPBQFQHSTFJ-PWSUYJOCSA-N -1 1 333.367 2.080 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(Cl)c(Cl)[nH]1 ZINC000826450981 607999066 /nfs/dbraw/zinc/99/90/66/607999066.db2.gz LEORVBTXRLNQHI-UHFFFAOYSA-N -1 1 339.142 2.460 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824052571 608188268 /nfs/dbraw/zinc/18/82/68/608188268.db2.gz POXUDCQSRXCNEX-ZCFIWIBFSA-N -1 1 344.828 2.143 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824052571 608188270 /nfs/dbraw/zinc/18/82/70/608188270.db2.gz POXUDCQSRXCNEX-ZCFIWIBFSA-N -1 1 344.828 2.143 20 0 EEADMM COc1ccc([C@H](OC)[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826189661 608239102 /nfs/dbraw/zinc/23/91/02/608239102.db2.gz AVUFKKMFVVNKKA-MEDUHNTESA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc([C@H](OC)[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826189661 608239103 /nfs/dbraw/zinc/23/91/03/608239103.db2.gz AVUFKKMFVVNKKA-MEDUHNTESA-N -1 1 340.387 2.458 20 0 EEADMM CN(CCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923631 608401166 /nfs/dbraw/zinc/40/11/66/608401166.db2.gz PGVHAILQQFKOHJ-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923631 608401167 /nfs/dbraw/zinc/40/11/67/608401167.db2.gz PGVHAILQQFKOHJ-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000826280595 608540857 /nfs/dbraw/zinc/54/08/57/608540857.db2.gz IFQFUTVYMCEMJT-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccncc1 ZINC000824158432 608589723 /nfs/dbraw/zinc/58/97/23/608589723.db2.gz WSPCNYOQFCNIBV-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccncc1 ZINC000824158432 608589725 /nfs/dbraw/zinc/58/97/25/608589725.db2.gz WSPCNYOQFCNIBV-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)N(CC(=O)OC(C)(C)C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000824288924 608730242 /nfs/dbraw/zinc/73/02/42/608730242.db2.gz QEDRYXVOVWIVTC-UHFFFAOYSA-N -1 1 337.449 2.480 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826376018 609169702 /nfs/dbraw/zinc/16/97/02/609169702.db2.gz LBXKHIWBRNBKCG-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826376018 609169704 /nfs/dbraw/zinc/16/97/04/609169704.db2.gz LBXKHIWBRNBKCG-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM CCCOc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825338507 609470464 /nfs/dbraw/zinc/47/04/64/609470464.db2.gz ASHUCSLUKMTTCS-UHFFFAOYSA-N -1 1 342.359 2.133 20 0 EEADMM CCCOc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825338507 609470466 /nfs/dbraw/zinc/47/04/66/609470466.db2.gz ASHUCSLUKMTTCS-UHFFFAOYSA-N -1 1 342.359 2.133 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000890596771 675027547 /nfs/dbraw/zinc/02/75/47/675027547.db2.gz 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1213854897 /nfs/dbraw/zinc/85/48/97/1213854897.db2.gz HKEWSDVHFJAGBM-UHFFFAOYSA-N -1 1 341.323 2.116 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)[n-]1 ZINC000796347752 1213856637 /nfs/dbraw/zinc/85/66/37/1213856637.db2.gz YVTQZYDSYNAFEW-UHFFFAOYSA-N -1 1 336.731 2.250 20 0 EEADMM C[C@H](NC(=O)c1cccs1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000959134298 1214236621 /nfs/dbraw/zinc/23/66/21/1214236621.db2.gz SVIHBCZLVKYBCR-RYUDHWBXSA-N -1 1 345.424 2.129 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC000956848514 1214524279 /nfs/dbraw/zinc/52/42/79/1214524279.db2.gz BQZITCZUOCFGOI-KRWDZBQOSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1cc(C)c(C(=O)N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)o1 ZINC000956849754 1214527110 /nfs/dbraw/zinc/52/71/10/1214527110.db2.gz YAJCIAXORBTQBR-GOSISDBHSA-N -1 1 343.383 2.032 20 0 EEADMM CCc1nc(C)c(CN2CCC[C@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001007192254 1214566299 /nfs/dbraw/zinc/56/62/99/1214566299.db2.gz WABATVOYMJXTIV-ZDUSSCGKSA-N -1 1 344.415 2.040 20 0 EEADMM COC(=O)c1cc(Br)c([O-])c(Nc2cnc(N)nc2)c1 ZINC001212964311 1215159226 /nfs/dbraw/zinc/15/92/26/1215159226.db2.gz OOIOYOCMVTWMRJ-UHFFFAOYSA-N -1 1 339.149 2.057 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000957625713 1215269150 /nfs/dbraw/zinc/26/91/50/1215269150.db2.gz PJQNEGFVCZNVJR-CHWSQXEVSA-N -1 1 347.459 2.436 20 0 EEADMM CO[C@H]1CCC[C@@H](CC(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000796060599 1215270007 /nfs/dbraw/zinc/27/00/07/1215270007.db2.gz KMUTWDOQIAYIGF-MNOVXSKESA-N -1 1 325.327 2.194 20 0 EEADMM CCc1cnc(CNC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC000959974071 1216272243 /nfs/dbraw/zinc/27/22/43/1216272243.db2.gz OOZDIMDTZUFHAD-ZDUSSCGKSA-N -1 1 344.415 2.122 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001413043028 1217039298 /nfs/dbraw/zinc/03/92/98/1217039298.db2.gz ILJVZYJQZPJTPQ-TZMCWYRMSA-N -1 1 333.432 2.333 20 0 EEADMM O=C(CCC1CC1)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000963699604 1217976109 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EEADMM C[C@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000966346285 1219693116 /nfs/dbraw/zinc/69/31/16/1219693116.db2.gz ITMNWDZVVFRCID-DZGCQCFKSA-N -1 1 343.427 2.254 20 0 EEADMM CC1CC(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)C1 ZINC000967007113 1220193156 /nfs/dbraw/zinc/19/31/56/1220193156.db2.gz BGMFRRSSYSWICJ-SSDMNJCBSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967010671 1220196458 /nfs/dbraw/zinc/19/64/58/1220196458.db2.gz LXERTHLGEHPBAJ-GXTWGEPZSA-N -1 1 333.432 2.190 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967528657 1220600668 /nfs/dbraw/zinc/60/06/68/1220600668.db2.gz VNAWTEDNMGPRCP-YLIUPVCFSA-N -1 1 331.416 2.207 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000967903478 1220905553 /nfs/dbraw/zinc/90/55/53/1220905553.db2.gz BTABBJBXMGWQTC-CYBMUJFWSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(CCC1CCC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC000968778717 1221562548 /nfs/dbraw/zinc/56/25/48/1221562548.db2.gz MEKAZISQRIQIIO-GASCZTMLSA-N -1 1 343.427 2.183 20 0 EEADMM C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001006800239 1221951174 /nfs/dbraw/zinc/95/11/74/1221951174.db2.gz OBWLFSQNPHSVDS-OLZOCXBDSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001066869088 1222211098 /nfs/dbraw/zinc/21/10/98/1222211098.db2.gz RARHYWHBPWRFFM-GFCCVEGCSA-N -1 1 348.447 2.026 20 0 EEADMM CC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001009827265 1223399581 /nfs/dbraw/zinc/39/95/81/1223399581.db2.gz CRSIUQJSVYQBKE-MELADBBJSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(Nc2ncncc2Cl)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001067256388 1229795039 /nfs/dbraw/zinc/79/50/39/1229795039.db2.gz RGCHMTYRGPOHRQ-UHFFFAOYSA-N -1 1 347.806 2.337 20 0 EEADMM Cc1nccc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001040407175 1231213722 /nfs/dbraw/zinc/21/37/22/1231213722.db2.gz WVFCTBWFXSLFQE-OCCSQVGLSA-N -1 1 341.415 2.096 20 0 EEADMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900414083 1234331103 /nfs/dbraw/zinc/33/11/03/1234331103.db2.gz DGMVRXMEHOYTID-LBPRGKRZSA-N -1 1 338.411 2.241 20 0 EEADMM Cc1ccnc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1 ZINC001413145268 1234342071 /nfs/dbraw/zinc/34/20/71/1234342071.db2.gz RSPYFAANYMXZLE-NSHDSACASA-N -1 1 329.404 2.378 20 0 EEADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1nc2ccccc2n1C ZINC000900757778 1234767825 /nfs/dbraw/zinc/76/78/25/1234767825.db2.gz JEFIOJOWHPNSON-JTQLQIEISA-N -1 1 337.383 2.437 20 0 EEADMM NC(=O)c1cccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000801204166 1235213950 /nfs/dbraw/zinc/21/39/50/1235213950.db2.gz YTEWALHARVBYDP-UHFFFAOYSA-N -1 1 337.335 2.034 20 0 EEADMM O=C(OCCn1cccn1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801357522 1235454065 /nfs/dbraw/zinc/45/40/65/1235454065.db2.gz GRDMSORAQPKJCR-UHFFFAOYSA-N -1 1 332.747 2.285 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)O[C@@H](C)c3cnccn3)n2)cc1 ZINC000801362083 1235457356 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O=C([O-])c1coc(CN[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c1 ZINC000902346189 1237433702 /nfs/dbraw/zinc/43/37/02/1237433702.db2.gz UUZCBQJISPTHHO-MRXNPFEDSA-N -1 1 342.395 2.301 20 0 EEADMM Cc1ncsc1CCOC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000803288477 1240027477 /nfs/dbraw/zinc/02/74/77/1240027477.db2.gz BXKJLFBPQZGMKC-UHFFFAOYSA-N -1 1 346.455 2.284 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001000371483 1240219617 /nfs/dbraw/zinc/21/96/17/1240219617.db2.gz WEPMWUINXSAPLP-GJZGRUSLSA-N -1 1 349.479 2.197 20 0 EEADMM O=S(=O)(Cc1ccccc1F)[N-]C1(c2ccccc2F)COC1 ZINC000903653799 1241416395 /nfs/dbraw/zinc/41/63/95/1241416395.db2.gz OCMMSSMDXVFGTP-UHFFFAOYSA-N -1 1 339.363 2.310 20 0 EEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000903711678 1241674431 /nfs/dbraw/zinc/67/44/31/1241674431.db2.gz HBSDCOSCKOHPHV-JTQLQIEISA-N -1 1 346.786 2.229 20 0 EEADMM CCN(Cc1cncc(C(=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000903886579 1242324938 /nfs/dbraw/zinc/32/49/38/1242324938.db2.gz HMULSPNNNFNXDY-HNNXBMFYSA-N -1 1 328.368 2.442 20 0 EEADMM Cc1nc(C)c(F)c(NC2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001057313794 1243229228 /nfs/dbraw/zinc/22/92/28/1243229228.db2.gz CJCBTOZYWAXYMR-UHFFFAOYSA-N -1 1 345.378 2.050 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001051344669 1245583012 /nfs/dbraw/zinc/58/30/12/1245583012.db2.gz RCXXNEWXIUSNFG-YGTTZKIMSA-N -1 1 343.427 2.276 20 0 EEADMM O=C(NCCN(c1nc2ccccc2o1)C1CC1)c1ncccc1[O-] ZINC001101323391 1245658193 /nfs/dbraw/zinc/65/81/93/1245658193.db2.gz FZZNAIJPDJKJPJ-UHFFFAOYSA-N -1 1 338.367 2.327 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001052423149 1247247559 /nfs/dbraw/zinc/24/75/59/1247247559.db2.gz VFZPAFRFOKHZHJ-JUBSNLHESA-N -1 1 345.443 2.214 20 0 EEADMM O=C(c1cc2cc(Cl)ccc2s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826833434 1248087179 /nfs/dbraw/zinc/08/71/79/1248087179.db2.gz CVHUAHWMMJKYIA-SNVBAGLBSA-N -1 1 349.803 2.282 20 0 EEADMM 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JMMCYHIHBTUUDU-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccc(CNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001602672004 1350571245 /nfs/dbraw/zinc/57/12/45/1350571245.db2.gz JMMCYHIHBTUUDU-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cnc(-c2nnn[n-]2)c(NC[C@@H]2C[C@H]2C2CC2)c1 ZINC001602679160 1350572136 /nfs/dbraw/zinc/57/21/36/1350572136.db2.gz JCIRELJHDHBPTP-WPRPVWTQSA-N -1 1 335.209 2.482 20 0 EEADMM Brc1cnc(-c2nn[n-]n2)c(NC[C@@H]2C[C@H]2C2CC2)c1 ZINC001602679160 1350572139 /nfs/dbraw/zinc/57/21/39/1350572139.db2.gz JCIRELJHDHBPTP-WPRPVWTQSA-N -1 1 335.209 2.482 20 0 EEADMM CC(C)c1nocc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603423233 1350703674 /nfs/dbraw/zinc/70/36/74/1350703674.db2.gz AXETUFDITFRERK-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM CC(C)c1nocc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603423233 1350703680 /nfs/dbraw/zinc/70/36/80/1350703680.db2.gz AXETUFDITFRERK-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM Cc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1C ZINC001605806915 1351225836 /nfs/dbraw/zinc/22/58/36/1351225836.db2.gz JEJUVFANTRDQQP-UHFFFAOYSA-N -1 1 349.394 2.017 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cccnc1OCc1ccccc1F ZINC001306848534 1331491466 /nfs/dbraw/zinc/49/14/66/1331491466.db2.gz RAUXPCJZZAXYGD-UHFFFAOYSA-N -1 1 328.303 2.481 20 0 EEADMM O=C([O-])CC1(CNC(=O)c2ccn(-c3ccncc3)n2)CCCCC1 ZINC001608680016 1351740541 /nfs/dbraw/zinc/74/05/41/1351740541.db2.gz FTKJIXHAIIWWLY-UHFFFAOYSA-N -1 1 342.399 2.422 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC001608948710 1351800998 /nfs/dbraw/zinc/80/09/98/1351800998.db2.gz XWMNJDRGCHMBJF-AWEZNQCLSA-N -1 1 329.356 2.096 20 0 EEADMM O=C([O-])c1cnc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC001608978216 1351806512 /nfs/dbraw/zinc/80/65/12/1351806512.db2.gz HUCXPEHKLLBIQR-AATRIKPKSA-N -1 1 339.760 2.241 20 0 EEADMM O=C([O-])c1cncnc1Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC001608983885 1351807810 /nfs/dbraw/zinc/80/78/10/1351807810.db2.gz JKFRJQNZXXFBSO-UHFFFAOYSA-N -1 1 335.295 2.389 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001609083514 1351834837 /nfs/dbraw/zinc/83/48/37/1351834837.db2.gz NNTMPSMKMADKSE-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)(CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001609083514 1351834839 /nfs/dbraw/zinc/83/48/39/1351834839.db2.gz NNTMPSMKMADKSE-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001609093541 1351839500 /nfs/dbraw/zinc/83/95/00/1351839500.db2.gz GYNKEHIJMGNSHO-VXGBXAGGSA-N -1 1 347.394 2.329 20 0 EEADMM CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001609093541 1351839503 /nfs/dbraw/zinc/83/95/03/1351839503.db2.gz GYNKEHIJMGNSHO-VXGBXAGGSA-N -1 1 347.394 2.329 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc(OC(F)F)cc1 ZINC001609126664 1351852818 /nfs/dbraw/zinc/85/28/18/1351852818.db2.gz DRLTYJWIYAQSSV-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc(OC(F)F)cc1 ZINC001609126664 1351852820 /nfs/dbraw/zinc/85/28/20/1351852820.db2.gz DRLTYJWIYAQSSV-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609139683 1351857599 /nfs/dbraw/zinc/85/75/99/1351857599.db2.gz VMYRFZYGBWTDQM-SNVBAGLBSA-N -1 1 326.335 2.234 20 0 EEADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609139683 1351857603 /nfs/dbraw/zinc/85/76/03/1351857603.db2.gz VMYRFZYGBWTDQM-SNVBAGLBSA-N -1 1 326.335 2.234 20 0 EEADMM CC[C@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1cccc(C)c1 ZINC001609190428 1351883630 /nfs/dbraw/zinc/88/36/30/1351883630.db2.gz KMYWCQHTUGXPLK-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1cccc(C)c1 ZINC001609190428 1351883635 /nfs/dbraw/zinc/88/36/35/1351883635.db2.gz KMYWCQHTUGXPLK-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001609202147 1351888952 /nfs/dbraw/zinc/88/89/52/1351888952.db2.gz APVRFQHXEFWTMU-PSASIEDQSA-N -1 1 342.325 2.284 20 0 EEADMM CC[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001609202147 1351888956 /nfs/dbraw/zinc/88/89/56/1351888956.db2.gz APVRFQHXEFWTMU-PSASIEDQSA-N -1 1 342.325 2.284 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1(CC)CC ZINC001609238494 1351904908 /nfs/dbraw/zinc/90/49/08/1351904908.db2.gz MSLLHPGXTRZQDR-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1(CC)CC ZINC001609238494 1351904911 /nfs/dbraw/zinc/90/49/11/1351904911.db2.gz MSLLHPGXTRZQDR-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM C[C@]1(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1(Cl)Cl ZINC001327953584 1334369476 /nfs/dbraw/zinc/36/94/76/1334369476.db2.gz KQHDZHLGIRDTMU-AAEUAGOBSA-N -1 1 340.214 2.379 20 0 EEADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609331733 1351935324 /nfs/dbraw/zinc/93/53/24/1351935324.db2.gz BJFPOUGXCPDXJO-NWDGAFQWSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609331733 1351935325 /nfs/dbraw/zinc/93/53/25/1351935325.db2.gz BJFPOUGXCPDXJO-NWDGAFQWSA-N -1 1 330.392 2.092 20 0 EEADMM COc1ccc(Cl)cc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609356637 1351945186 /nfs/dbraw/zinc/94/51/86/1351945186.db2.gz YNEVSGQMGDIDEC-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)cc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609356637 1351945188 /nfs/dbraw/zinc/94/51/88/1351945188.db2.gz YNEVSGQMGDIDEC-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1cc(C)ccc1C ZINC001609421132 1351969737 /nfs/dbraw/zinc/96/97/37/1351969737.db2.gz QVQIYZYTSFEPEZ-UHFFFAOYSA-N -1 1 340.339 2.425 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1cc(C)ccc1C ZINC001609421132 1351969739 /nfs/dbraw/zinc/96/97/39/1351969739.db2.gz QVQIYZYTSFEPEZ-UHFFFAOYSA-N -1 1 340.339 2.425 20 0 EEADMM Cc1cnc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)o1 ZINC001609441028 1351978525 /nfs/dbraw/zinc/97/85/25/1351978525.db2.gz KSFDTMLPEGBKNN-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1cnc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)o1 ZINC001609441028 1351978528 /nfs/dbraw/zinc/97/85/28/1351978528.db2.gz KSFDTMLPEGBKNN-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1noc(C)c1CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609463313 1351987020 /nfs/dbraw/zinc/98/70/20/1351987020.db2.gz TWVKMISPROPKCK-UHFFFAOYSA-N -1 1 339.281 2.497 20 0 EEADMM Cc1noc(C)c1CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609463313 1351987022 /nfs/dbraw/zinc/98/70/22/1351987022.db2.gz TWVKMISPROPKCK-UHFFFAOYSA-N -1 1 339.281 2.497 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3cccc(F)c3)C2)c1-c1nn[n-]n1 ZINC001609464815 1351987065 /nfs/dbraw/zinc/98/70/65/1351987065.db2.gz HJFJSDBPJTUNDA-GFCCVEGCSA-N -1 1 346.391 2.349 20 0 EEADMM Cc1noc(C2CCC(Nc3ccc(C)c(-c4nnn[n-]4)n3)CC2)n1 ZINC001609463002 1351987295 /nfs/dbraw/zinc/98/72/95/1351987295.db2.gz IHMYAIIFOBTUJL-UHFFFAOYSA-N -1 1 340.391 2.400 20 0 EEADMM Cc1noc(C2CCC(Nc3ccc(C)c(-c4nn[n-]n4)n3)CC2)n1 ZINC001609463002 1351987297 /nfs/dbraw/zinc/98/72/97/1351987297.db2.gz IHMYAIIFOBTUJL-UHFFFAOYSA-N -1 1 340.391 2.400 20 0 EEADMM Cc1nsc(NC(=O)N[C@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001609465034 1351987883 /nfs/dbraw/zinc/98/78/83/1351987883.db2.gz GJTOZDBQSUZDER-ZETCQYMHSA-N -1 1 343.363 2.331 20 0 EEADMM Cc1nsc(NC(=O)N[C@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001609465034 1351987884 /nfs/dbraw/zinc/98/78/84/1351987884.db2.gz GJTOZDBQSUZDER-ZETCQYMHSA-N -1 1 343.363 2.331 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC001609467322 1351988930 /nfs/dbraw/zinc/98/89/30/1351988930.db2.gz BQWPDDTZGVFWPS-UHFFFAOYSA-N -1 1 341.371 2.485 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(OC(C)C)cc1 ZINC001609467322 1351988932 /nfs/dbraw/zinc/98/89/32/1351988932.db2.gz BQWPDDTZGVFWPS-UHFFFAOYSA-N -1 1 341.371 2.485 20 0 EEADMM Clc1ccccc1-n1cc(Nc2cc(-c3nnn[n-]3)ncn2)cn1 ZINC001609474226 1351991044 /nfs/dbraw/zinc/99/10/44/1351991044.db2.gz NYNFEJZZJBZLCD-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccccc1-n1cc(Nc2cc(-c3nn[n-]n3)ncn2)cn1 ZINC001609474226 1351991045 /nfs/dbraw/zinc/99/10/45/1351991045.db2.gz NYNFEJZZJBZLCD-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Fc1ccc2c(c1F)CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001609491613 1351997883 /nfs/dbraw/zinc/99/78/83/1351997883.db2.gz VDABQRGGPNCGHB-UHFFFAOYSA-N -1 1 334.355 2.160 20 0 EEADMM Fc1ccc2c(c1F)CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001609491613 1351997885 /nfs/dbraw/zinc/99/78/85/1351997885.db2.gz VDABQRGGPNCGHB-UHFFFAOYSA-N -1 1 334.355 2.160 20 0 EEADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609566281 1352018328 /nfs/dbraw/zinc/01/83/28/1352018328.db2.gz OQCCBTDEYJAECC-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609566281 1352018332 /nfs/dbraw/zinc/01/83/32/1352018332.db2.gz OQCCBTDEYJAECC-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM c1sc(CNc2ccccc2O[C@@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609617546 1352041538 /nfs/dbraw/zinc/04/15/38/1352041538.db2.gz AXQFLFJCJWTQSC-SNVBAGLBSA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(CNc2ccccc2O[C@@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609617546 1352041544 /nfs/dbraw/zinc/04/15/44/1352041544.db2.gz AXQFLFJCJWTQSC-SNVBAGLBSA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1-c1nc(CCC2CCOCC2)no1 ZINC001609620517 1352043472 /nfs/dbraw/zinc/04/34/72/1352043472.db2.gz AQUQJNOMHMNNTF-UHFFFAOYSA-N -1 1 332.389 2.337 20 0 EEADMM CC(C)(C)OC(=O)Nc1ncc(CN2CC[C@H](C(=O)[O-])C2)s1 ZINC001609668089 1352054438 /nfs/dbraw/zinc/05/44/38/1352054438.db2.gz XSSKYPPHDZJRAK-VIFPVBQESA-N -1 1 327.406 2.397 20 0 EEADMM CC(C)c1n[nH]c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n1 ZINC001609722610 1352068877 /nfs/dbraw/zinc/06/88/77/1352068877.db2.gz RIBCUSJSLZCFKD-UHFFFAOYSA-N -1 1 327.344 2.220 20 0 EEADMM CC(C)c1nc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC001609722610 1352068881 /nfs/dbraw/zinc/06/88/81/1352068881.db2.gz RIBCUSJSLZCFKD-UHFFFAOYSA-N -1 1 327.344 2.220 20 0 EEADMM O=C(C=Cc1ccc2c(c1)OCO2)OCC(=O)c1ccc([O-])cc1O ZINC001337601776 1336718257 /nfs/dbraw/zinc/71/82/57/1336718257.db2.gz KWDDKPGPHYEECH-KXFIGUGUSA-N -1 1 342.303 2.266 20 0 EEADMM C[C@H](c1ccsc1)N1CCN(C[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC001609809945 1352090576 /nfs/dbraw/zinc/09/05/76/1352090576.db2.gz QFZPILVQKPIYDU-WXHSDQCUSA-N -1 1 330.400 2.393 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CCC(N)=O)cc2)c1 ZINC001338460498 1336863987 /nfs/dbraw/zinc/86/39/87/1336863987.db2.gz KABMTAAVAWEWIP-UHFFFAOYSA-N -1 1 341.367 2.021 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC001609870497 1352108307 /nfs/dbraw/zinc/10/83/07/1352108307.db2.gz IQRRAWQVYZBSPF-CYBMUJFWSA-N -1 1 348.447 2.078 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC001609911480 1352117971 /nfs/dbraw/zinc/11/79/71/1352117971.db2.gz VROJWYYFNQHVOO-CQSZACIVSA-N -1 1 348.443 2.485 20 0 EEADMM CC[C@]([NH2+]CCC[N-]C(=O)C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001609931933 1352122906 /nfs/dbraw/zinc/12/29/06/1352122906.db2.gz LQCIIGOFERJQSI-CQSZACIVSA-N -1 1 332.322 2.035 20 0 EEADMM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001342988996 1337325888 /nfs/dbraw/zinc/32/58/88/1337325888.db2.gz BRZQQTBDOUAICS-GFCCVEGCSA-N -1 1 348.819 2.265 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]cc(Cl)c1=O ZINC001344675485 1337408821 /nfs/dbraw/zinc/40/88/21/1337408821.db2.gz APMUUTGQZAXKAK-UHFFFAOYSA-N -1 1 330.731 2.376 20 0 EEADMM CCOC(CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)OCC ZINC001610026722 1352144165 /nfs/dbraw/zinc/14/41/65/1352144165.db2.gz NDQHBYGLEVNFQF-AWEZNQCLSA-N -1 1 336.432 2.294 20 0 EEADMM CN(C(=O)CSc1nc(C2CC2)n[nH]1)c1ccccc1C(=O)[O-] ZINC001610091925 1352160204 /nfs/dbraw/zinc/16/02/04/1352160204.db2.gz ZOBPCGCERDERSN-UHFFFAOYSA-N -1 1 332.385 2.135 20 0 EEADMM CN(C(=O)CSc1n[nH]c(C2CC2)n1)c1ccccc1C(=O)[O-] ZINC001610091925 1352160207 /nfs/dbraw/zinc/16/02/07/1352160207.db2.gz ZOBPCGCERDERSN-UHFFFAOYSA-N -1 1 332.385 2.135 20 0 EEADMM CN(C(=O)c1ccn(-c2ccncc2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001610096585 1352161198 /nfs/dbraw/zinc/16/11/98/1352161198.db2.gz ZQCABDUXPXHWLR-MRXNPFEDSA-N -1 1 336.351 2.165 20 0 EEADMM CN(Cc1c(Br)cccc1C(=O)[O-])C1(CO)CCC1 ZINC001610118466 1352166526 /nfs/dbraw/zinc/16/65/26/1352166526.db2.gz SGCHMWIRCQSJOP-UHFFFAOYSA-N -1 1 328.206 2.494 20 0 EEADMM COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001610159620 1352176109 /nfs/dbraw/zinc/17/61/09/1352176109.db2.gz RZYBIJDFDDPVND-FZMZJTMJSA-N -1 1 349.280 2.379 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN(C)C(C)(C)CC(=O)[O-] ZINC001610338010 1352207631 /nfs/dbraw/zinc/20/76/31/1352207631.db2.gz SRPPJRCPHIJWPE-UHFFFAOYSA-N -1 1 328.796 2.472 20 0 EEADMM Cc1ccc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cn1 ZINC000848711712 1338744894 /nfs/dbraw/zinc/74/48/94/1338744894.db2.gz SUEUXAFQBQWMED-UHFFFAOYSA-N -1 1 340.383 2.431 20 0 EEADMM Cc1c(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC001610411513 1352218726 /nfs/dbraw/zinc/21/87/26/1352218726.db2.gz OJZSBBJFKWIBAD-UHFFFAOYSA-N -1 1 335.385 2.236 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2cc(C(=O)[O-])no2)N2CCCC2)cc1 ZINC001610492691 1352232397 /nfs/dbraw/zinc/23/23/97/1352232397.db2.gz RKDOISUBHUGBAK-OAHLLOKOSA-N -1 1 343.383 2.248 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2cccc3c2OCCCO3)[n-]1 ZINC000849403786 1339155732 /nfs/dbraw/zinc/15/57/32/1339155732.db2.gz PMEIDDUIFIKBCC-UHFFFAOYSA-N -1 1 338.385 2.462 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2cccc3c2OCCCO3)c[n-]1 ZINC000849403786 1339155733 /nfs/dbraw/zinc/15/57/33/1339155733.db2.gz PMEIDDUIFIKBCC-UHFFFAOYSA-N -1 1 338.385 2.462 20 0 EEADMM Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001610575636 1352247883 /nfs/dbraw/zinc/24/78/83/1352247883.db2.gz DBZKHJLBYMZCRK-OAHLLOKOSA-N -1 1 331.372 2.176 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@@H](CCCO)c2ccccc2)cc1 ZINC001610666932 1352258809 /nfs/dbraw/zinc/25/88/09/1352258809.db2.gz OSNAGZJLMTZFFB-KRWDZBQOSA-N -1 1 342.395 2.427 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC001610684584 1352259912 /nfs/dbraw/zinc/25/99/12/1352259912.db2.gz DRGYQZMXUZAKSL-HNNXBMFYSA-N -1 1 336.351 2.070 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC001610684585 1352260030 /nfs/dbraw/zinc/26/00/30/1352260030.db2.gz DRGYQZMXUZAKSL-OAHLLOKOSA-N -1 1 336.351 2.070 20 0 EEADMM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1cc(F)cc(F)c1 ZINC000029433035 1352267693 /nfs/dbraw/zinc/26/76/93/1352267693.db2.gz ZMBCKSGCMDRFJI-UHFFFAOYSA-N -1 1 336.323 2.346 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@H](C3CC3)CC2=O)C[C@@H]1c1ccccc1 ZINC001610802547 1352277112 /nfs/dbraw/zinc/27/71/12/1352277112.db2.gz OTBWSPKSBWHAJZ-BRWVUGGUSA-N -1 1 328.412 2.003 20 0 EEADMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000033872066 1352322148 /nfs/dbraw/zinc/32/21/48/1352322148.db2.gz DOAADDLBDCTHIT-UHFFFAOYSA-N -1 1 344.392 2.465 20 0 EEADMM CCc1cc(CNC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])n[nH]1 ZINC001617022681 1352335132 /nfs/dbraw/zinc/33/51/32/1352335132.db2.gz GWLXGIQYKOYDOF-UHFFFAOYSA-N -1 1 343.362 2.241 20 0 EEADMM CSc1nc(CNC(=O)c2cccc(OC(F)F)c2)cc(=O)[n-]1 ZINC001434121412 1341769238 /nfs/dbraw/zinc/76/92/38/1341769238.db2.gz JIQRWOVUYCRQRV-UHFFFAOYSA-N -1 1 341.339 2.436 20 0 EEADMM O=C(NC[C@@H](NCc1ccon1)c1ccccc1)c1ncccc1[O-] ZINC001567657688 1342806093 /nfs/dbraw/zinc/80/60/93/1342806093.db2.gz PZEBSYHJXRFALA-OAHLLOKOSA-N -1 1 338.367 2.036 20 0 EEADMM CCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](CC)C1 ZINC001576425896 1344014365 /nfs/dbraw/zinc/01/43/65/1344014365.db2.gz IZBVYABDKDJPPQ-MNOVXSKESA-N -1 1 349.464 2.081 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](N)c1ccccc1C(F)(F)F ZINC001577905879 1344212341 /nfs/dbraw/zinc/21/23/41/1344212341.db2.gz ZVHBMDXJTDANRK-NSHDSACASA-N -1 1 348.321 2.095 20 0 EEADMM COc1c(Cl)cccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001579875305 1344423685 /nfs/dbraw/zinc/42/36/85/1344423685.db2.gz XKQTYXMAJCOCHZ-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1c(Cl)cccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001579875305 1344423690 /nfs/dbraw/zinc/42/36/90/1344423690.db2.gz XKQTYXMAJCOCHZ-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1cc(CCNc2nc(Cl)c(-c3nnn[n-]3)s2)ccn1 ZINC001579922669 1344432184 /nfs/dbraw/zinc/43/21/84/1344432184.db2.gz FEOWSKCLPNYSBH-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cc(CCNc2nc(Cl)c(-c3nn[n-]n3)s2)ccn1 ZINC001579922669 1344432186 /nfs/dbraw/zinc/43/21/86/1344432186.db2.gz FEOWSKCLPNYSBH-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580137655 1344479889 /nfs/dbraw/zinc/47/98/89/1344479889.db2.gz ZVXBQMOEIPYZTF-OUAUKWLOSA-N -1 1 345.407 2.217 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001581215506 1344600253 /nfs/dbraw/zinc/60/02/53/1344600253.db2.gz ZUETVNSAVMKNRW-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001581215506 1344600256 /nfs/dbraw/zinc/60/02/56/1344600256.db2.gz ZUETVNSAVMKNRW-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1cnc(SCc2cn3ccccc3c2-c2nn[nH]n2)[n-]c1=O ZINC001581320140 1344617236 /nfs/dbraw/zinc/61/72/36/1344617236.db2.gz GGGMGZPFWPNJKY-UHFFFAOYSA-N -1 1 339.384 2.216 20 0 EEADMM Cc1nc(NCc2c(F)cc(F)c(F)c2F)cc(-c2nnn[n-]2)n1 ZINC001581526339 1344634488 /nfs/dbraw/zinc/63/44/88/1344634488.db2.gz STOQLLPMGNUPPO-UHFFFAOYSA-N -1 1 339.256 2.134 20 0 EEADMM Cc1nc(NCc2c(F)cc(F)c(F)c2F)cc(-c2nn[n-]n2)n1 ZINC001581526339 1344634494 /nfs/dbraw/zinc/63/44/94/1344634494.db2.gz STOQLLPMGNUPPO-UHFFFAOYSA-N -1 1 339.256 2.134 20 0 EEADMM Cc1nsc(NC2(CNC(=O)CC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC001581695889 1344654983 /nfs/dbraw/zinc/65/49/83/1344654983.db2.gz XMXBBXOSMPAYJL-UHFFFAOYSA-N -1 1 349.464 2.129 20 0 EEADMM Fc1cc(OC(F)F)ccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001581852959 1344677307 /nfs/dbraw/zinc/67/73/07/1344677307.db2.gz AKZCSWVGABWMDD-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(OC(F)F)ccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001581852959 1344677311 /nfs/dbraw/zinc/67/73/11/1344677311.db2.gz AKZCSWVGABWMDD-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001582337286 1344735891 /nfs/dbraw/zinc/73/58/91/1344735891.db2.gz GCOZUELWRWAIFA-HIFRSBDPSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001582337286 1344735893 /nfs/dbraw/zinc/73/58/93/1344735893.db2.gz GCOZUELWRWAIFA-HIFRSBDPSA-N -1 1 338.346 2.017 20 0 EEADMM CC(C)(C)CN(CCCO)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589129375 1348963621 /nfs/dbraw/zinc/96/36/21/1348963621.db2.gz QSXWETJCPSISGZ-UHFFFAOYSA-N -1 1 330.845 2.212 20 0 EEADMM CC(C)(C)CN(CCCO)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589129375 1348963624 /nfs/dbraw/zinc/96/36/24/1348963624.db2.gz QSXWETJCPSISGZ-UHFFFAOYSA-N -1 1 330.845 2.212 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001589164777 1348966952 /nfs/dbraw/zinc/96/69/52/1348966952.db2.gz BXXCIRIDNCPTLG-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001589164777 1348966956 /nfs/dbraw/zinc/96/69/56/1348966956.db2.gz BXXCIRIDNCPTLG-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nc1 ZINC001589200958 1348969594 /nfs/dbraw/zinc/96/95/94/1348969594.db2.gz AGEOCMFFYFYPKI-UHFFFAOYSA-N -1 1 345.388 2.148 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nc1 ZINC001589200958 1348969595 /nfs/dbraw/zinc/96/95/95/1348969595.db2.gz AGEOCMFFYFYPKI-UHFFFAOYSA-N -1 1 345.388 2.148 20 0 EEADMM CC(C)(CNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001589286834 1348979701 /nfs/dbraw/zinc/97/97/01/1348979701.db2.gz RNIPXMBYNYTQPG-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)(CNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001589286834 1348979706 /nfs/dbraw/zinc/97/97/06/1348979706.db2.gz RNIPXMBYNYTQPG-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)CCOC1CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589606986 1349009278 /nfs/dbraw/zinc/00/92/78/1349009278.db2.gz NAKZEUFWPMTNEY-UHFFFAOYSA-N -1 1 333.392 2.127 20 0 EEADMM CC(C)CCOC1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC1 ZINC001589606986 1349009284 /nfs/dbraw/zinc/00/92/84/1349009284.db2.gz NAKZEUFWPMTNEY-UHFFFAOYSA-N -1 1 333.392 2.127 20 0 EEADMM CC(C)N(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC001589673093 1349019795 /nfs/dbraw/zinc/01/97/95/1349019795.db2.gz SVPQVUJFMUFUKZ-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM CC(C)N(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC001589673093 1349019798 /nfs/dbraw/zinc/01/97/98/1349019798.db2.gz SVPQVUJFMUFUKZ-UHFFFAOYSA-N -1 1 326.335 2.456 20 0 EEADMM CC(C)O[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001589739350 1349026553 /nfs/dbraw/zinc/02/65/53/1349026553.db2.gz HQMWKLQLKGOLGO-GFCCVEGCSA-N -1 1 339.403 2.204 20 0 EEADMM CC(C)O[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001589739350 1349026558 /nfs/dbraw/zinc/02/65/58/1349026558.db2.gz HQMWKLQLKGOLGO-GFCCVEGCSA-N -1 1 339.403 2.204 20 0 EEADMM CC(C)n1cccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589783256 1349040013 /nfs/dbraw/zinc/04/00/13/1349040013.db2.gz DFSVXZMXUDVAHM-UHFFFAOYSA-N -1 1 326.364 2.102 20 0 EEADMM C[C@H](Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589903251 1349059119 /nfs/dbraw/zinc/05/91/19/1349059119.db2.gz WMNQMMCYYDHRQN-SNVBAGLBSA-N -1 1 343.391 2.229 20 0 EEADMM C[C@H](Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589903251 1349059122 /nfs/dbraw/zinc/05/91/22/1349059122.db2.gz WMNQMMCYYDHRQN-SNVBAGLBSA-N -1 1 343.391 2.229 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1OCCc2sccc21 ZINC001589983644 1349092534 /nfs/dbraw/zinc/09/25/34/1349092534.db2.gz GORJVKPBHZWHMW-XPTSAGLGSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1OCCc2sccc21 ZINC001589983644 1349092541 /nfs/dbraw/zinc/09/25/41/1349092541.db2.gz GORJVKPBHZWHMW-XPTSAGLGSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1c(F)cccc1Cl ZINC001589985605 1349093653 /nfs/dbraw/zinc/09/36/53/1349093653.db2.gz NETPYQMCHWPUFV-CLAHSXSESA-N -1 1 348.769 2.010 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1c(F)cccc1Cl ZINC001589985605 1349093658 /nfs/dbraw/zinc/09/36/58/1349093658.db2.gz NETPYQMCHWPUFV-CLAHSXSESA-N -1 1 348.769 2.010 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1OC(F)F ZINC001589987171 1349094813 /nfs/dbraw/zinc/09/48/13/1349094813.db2.gz HFWMCGLAMNPYAD-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1OC(F)F ZINC001589987171 1349094820 /nfs/dbraw/zinc/09/48/20/1349094820.db2.gz HFWMCGLAMNPYAD-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@](O)(CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589989280 1349095921 /nfs/dbraw/zinc/09/59/21/1349095921.db2.gz BKPWWGBZRHTSBR-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@](O)(CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589989280 1349095932 /nfs/dbraw/zinc/09/59/32/1349095932.db2.gz BKPWWGBZRHTSBR-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@H](O)CCc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001589999658 1349100686 /nfs/dbraw/zinc/10/06/86/1349100686.db2.gz URXUMLSHVYVWRU-SNVBAGLBSA-N -1 1 331.401 2.216 20 0 EEADMM C[C@@H](O)CCc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001589999658 1349100688 /nfs/dbraw/zinc/10/06/88/1349100688.db2.gz URXUMLSHVYVWRU-SNVBAGLBSA-N -1 1 331.401 2.216 20 0 EEADMM C[C@H]1C[C@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590191634 1349192218 /nfs/dbraw/zinc/19/22/18/1349192218.db2.gz RLXGXCHGRWYXJP-WDEREUQCSA-N -1 1 331.424 2.391 20 0 EEADMM C[C@H]1C[C@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590191634 1349192225 /nfs/dbraw/zinc/19/22/25/1349192225.db2.gz RLXGXCHGRWYXJP-WDEREUQCSA-N -1 1 331.424 2.391 20 0 EEADMM C[C@@H]1CCCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590262141 1349237584 /nfs/dbraw/zinc/23/75/84/1349237584.db2.gz VMAIFPHGURMKBU-ZCFIWIBFSA-N -1 1 327.801 2.240 20 0 EEADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC001590294463 1349250782 /nfs/dbraw/zinc/25/07/82/1349250782.db2.gz PTBRQKIWYHYAHO-XHDPSFHLSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590294463 1349250789 /nfs/dbraw/zinc/25/07/89/1349250789.db2.gz PTBRQKIWYHYAHO-XHDPSFHLSA-N -1 1 335.371 2.487 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001590403337 1349306406 /nfs/dbraw/zinc/30/64/06/1349306406.db2.gz CCKINOMYVCOKQG-GFCCVEGCSA-N -1 1 348.476 2.403 20 0 EEADMM CC[C@@H](C)CCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590411542 1349312672 /nfs/dbraw/zinc/31/26/72/1349312672.db2.gz ZMRZQZAMMTXRCB-SECBINFHSA-N -1 1 341.412 2.029 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590431836 1349322052 /nfs/dbraw/zinc/32/20/52/1349322052.db2.gz TYIGPXRYZMFPRM-RISCZKNCSA-N -1 1 333.392 2.173 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590431836 1349322061 /nfs/dbraw/zinc/32/20/61/1349322061.db2.gz TYIGPXRYZMFPRM-RISCZKNCSA-N -1 1 333.392 2.173 20 0 EEADMM CCC(CC)c1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001590436937 1349324997 /nfs/dbraw/zinc/32/49/97/1349324997.db2.gz ZNIBBANFYHCFEM-UHFFFAOYSA-N -1 1 328.380 2.469 20 0 EEADMM CCC(CC)c1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001590436937 1349324998 /nfs/dbraw/zinc/32/49/98/1349324998.db2.gz ZNIBBANFYHCFEM-UHFFFAOYSA-N -1 1 328.380 2.469 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](O)c1ccccc1 ZINC001590460251 1349336574 /nfs/dbraw/zinc/33/65/74/1349336574.db2.gz QYQHLDRVMOBAMY-FZMZJTMJSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1ccccc1 ZINC001590460251 1349336586 /nfs/dbraw/zinc/33/65/86/1349336586.db2.gz QYQHLDRVMOBAMY-FZMZJTMJSA-N -1 1 343.412 2.170 20 0 EEADMM CCC[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590559742 1349370911 /nfs/dbraw/zinc/37/09/11/1349370911.db2.gz KRYFBJZAMUBLKK-AAEUAGOBSA-N -1 1 341.375 2.104 20 0 EEADMM CCCCCCC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC001590591587 1349375699 /nfs/dbraw/zinc/37/56/99/1349375699.db2.gz ONAXOYCFUFVLKD-UHFFFAOYSA-N -1 1 346.435 2.088 20 0 EEADMM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590849734 1349404462 /nfs/dbraw/zinc/40/44/62/1349404462.db2.gz BPOIISFNYFOBCP-MWLCHTKSSA-N -1 1 333.421 2.057 20 0 EEADMM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590849734 1349404482 /nfs/dbraw/zinc/40/44/82/1349404482.db2.gz BPOIISFNYFOBCP-MWLCHTKSSA-N -1 1 333.421 2.057 20 0 EEADMM CCc1nc(NC[C@@H](OC)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590918032 1349412376 /nfs/dbraw/zinc/41/23/76/1349412376.db2.gz MDNOKUYYRWPEMD-CYBMUJFWSA-N -1 1 325.376 2.019 20 0 EEADMM CCc1nc(NC[C@@H](OC)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590918032 1349412384 /nfs/dbraw/zinc/41/23/84/1349412384.db2.gz MDNOKUYYRWPEMD-CYBMUJFWSA-N -1 1 325.376 2.019 20 0 EEADMM CCc1nc(NCCc2cc(C)c(O)c(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590922102 1349412736 /nfs/dbraw/zinc/41/27/36/1349412736.db2.gz BAUMTVXMHQHNSB-UHFFFAOYSA-N -1 1 339.403 2.196 20 0 EEADMM CCc1nc(NCCc2cc(C)c(O)c(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590922102 1349412747 /nfs/dbraw/zinc/41/27/47/1349412747.db2.gz BAUMTVXMHQHNSB-UHFFFAOYSA-N -1 1 339.403 2.196 20 0 EEADMM CCc1nc(Nc2ccc(N(C)C)c(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590925412 1349413953 /nfs/dbraw/zinc/41/39/53/1349413953.db2.gz KZXWVOAZZUVSJW-UHFFFAOYSA-N -1 1 328.355 2.168 20 0 EEADMM CCc1nc(Nc2ccc(N(C)C)c(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590925412 1349413958 /nfs/dbraw/zinc/41/39/58/1349413958.db2.gz KZXWVOAZZUVSJW-UHFFFAOYSA-N -1 1 328.355 2.168 20 0 EEADMM COCC1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001591386434 1349478722 /nfs/dbraw/zinc/47/87/22/1349478722.db2.gz KYFZVVSLFDKIND-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM COCC1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001591386434 1349478724 /nfs/dbraw/zinc/47/87/24/1349478724.db2.gz KYFZVVSLFDKIND-UHFFFAOYSA-N -1 1 328.829 2.230 20 0 EEADMM COc1cc(CCNc2cc(-c3nnn[n-]3)nc(C)n2)ccc1Cl ZINC001591524686 1349499135 /nfs/dbraw/zinc/49/91/35/1349499135.db2.gz PFXIDTQGVAFKTR-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM COc1cc(CCNc2cc(-c3nn[n-]n3)nc(C)n2)ccc1Cl ZINC001591524686 1349499140 /nfs/dbraw/zinc/49/91/40/1349499140.db2.gz PFXIDTQGVAFKTR-UHFFFAOYSA-N -1 1 345.794 2.282 20 0 EEADMM COc1cc(F)cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001591540888 1349503473 /nfs/dbraw/zinc/50/34/73/1349503473.db2.gz SIBAPPWVGPBESQ-UHFFFAOYSA-N -1 1 327.323 2.425 20 0 EEADMM COc1cc(F)cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001591540888 1349503479 /nfs/dbraw/zinc/50/34/79/1349503479.db2.gz SIBAPPWVGPBESQ-UHFFFAOYSA-N -1 1 327.323 2.425 20 0 EEADMM COc1cccc2c1OC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C2 ZINC001591643687 1349522035 /nfs/dbraw/zinc/52/20/35/1349522035.db2.gz QLKQUFNTEHSOGM-SNVBAGLBSA-N -1 1 344.400 2.056 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592071872 1349589156 /nfs/dbraw/zinc/58/91/56/1349589156.db2.gz PQXJRZRIDQUZGR-UHFFFAOYSA-N -1 1 333.355 2.164 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592071872 1349589158 /nfs/dbraw/zinc/58/91/58/1349589158.db2.gz PQXJRZRIDQUZGR-UHFFFAOYSA-N -1 1 333.355 2.164 20 0 EEADMM Cc1cccc(CC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001592228629 1349612192 /nfs/dbraw/zinc/61/21/92/1349612192.db2.gz RFFNDMHUPATTQN-UHFFFAOYSA-N -1 1 343.337 2.312 20 0 EEADMM Cc1cccc(CC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001592228629 1349612195 /nfs/dbraw/zinc/61/21/95/1349612195.db2.gz RFFNDMHUPATTQN-UHFFFAOYSA-N -1 1 343.337 2.312 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592331269 1349621698 /nfs/dbraw/zinc/62/16/98/1349621698.db2.gz XZMLSZZTLCKXKF-UHFFFAOYSA-N -1 1 339.338 2.040 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592331269 1349621703 /nfs/dbraw/zinc/62/17/03/1349621703.db2.gz XZMLSZZTLCKXKF-UHFFFAOYSA-N -1 1 339.338 2.040 20 0 EEADMM Cc1[nH]nc(NC(=O)c2oc3ccc(F)cc3c2C)c1-c1nn[n-]n1 ZINC001592330827 1349622132 /nfs/dbraw/zinc/62/21/32/1349622132.db2.gz MZDWGRRTOGFFOL-UHFFFAOYSA-N -1 1 341.306 2.344 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001592496926 1349637126 /nfs/dbraw/zinc/63/71/26/1349637126.db2.gz OXDAQZVUUCAHAB-QMMMGPOBSA-N -1 1 343.318 2.335 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H](C)Oc2c(F)cccc21 ZINC001592496926 1349637127 /nfs/dbraw/zinc/63/71/27/1349637127.db2.gz OXDAQZVUUCAHAB-QMMMGPOBSA-N -1 1 343.318 2.335 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1cccc2cccnc21 ZINC001592501889 1349638050 /nfs/dbraw/zinc/63/80/50/1349638050.db2.gz UTNSXPQSJRLCAJ-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1cccc2cccnc21 ZINC001592501889 1349638051 /nfs/dbraw/zinc/63/80/51/1349638051.db2.gz UTNSXPQSJRLCAJ-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001592536369 1349651249 /nfs/dbraw/zinc/65/12/49/1349651249.db2.gz VBJYSMNFHGTHJC-CUOATXAZSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001592536369 1349651252 /nfs/dbraw/zinc/65/12/52/1349651252.db2.gz VBJYSMNFHGTHJC-CUOATXAZSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1sc(N2CCC([C@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001592541640 1349654250 /nfs/dbraw/zinc/65/42/50/1349654250.db2.gz IMQGRNJDBSFIQC-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Clc1sc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nc1-c1nn[n-]n1 ZINC001592543051 1349654746 /nfs/dbraw/zinc/65/47/46/1349654746.db2.gz LLBGCUHSCWXREN-RNJXMRFFSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1sc(NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)nc1-c1nn[n-]n1 ZINC001592543087 1349654806 /nfs/dbraw/zinc/65/48/06/1349654806.db2.gz MORYSDNBUMXFIZ-FXQIFTODSA-N -1 1 326.813 2.346 20 0 EEADMM FC(F)(F)COCCSCc1nc(-c2nnn[n-]2)cs1 ZINC001592615345 1349672131 /nfs/dbraw/zinc/67/21/31/1349672131.db2.gz PXBJZVQCEZBBDL-UHFFFAOYSA-N -1 1 325.341 2.135 20 0 EEADMM FC(F)(F)COCCSCc1nc(-c2nn[n-]n2)cs1 ZINC001592615345 1349672134 /nfs/dbraw/zinc/67/21/34/1349672134.db2.gz PXBJZVQCEZBBDL-UHFFFAOYSA-N -1 1 325.341 2.135 20 0 EEADMM FC(F)(F)c1ccc(CCNc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001592619955 1349675308 /nfs/dbraw/zinc/67/53/08/1349675308.db2.gz NUNSTMYYCWDUOD-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001592619955 1349675314 /nfs/dbraw/zinc/67/53/14/1349675314.db2.gz NUNSTMYYCWDUOD-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1ccc(CC2(CNc3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001592648478 1349694665 /nfs/dbraw/zinc/69/46/65/1349694665.db2.gz OFESPCDZVGTJJI-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Fc1ccccc1C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592658990 1349702914 /nfs/dbraw/zinc/70/29/14/1349702914.db2.gz LFEIBFWJWUVBGD-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccccc1C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592658990 1349702919 /nfs/dbraw/zinc/70/29/19/1349702919.db2.gz LFEIBFWJWUVBGD-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM O=C(CCCC1CCOCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592835954 1349718255 /nfs/dbraw/zinc/71/82/55/1349718255.db2.gz ZNAKOCPXGYULKY-UHFFFAOYSA-N -1 1 331.376 2.108 20 0 EEADMM O=C(CCCOC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001592837965 1349718441 /nfs/dbraw/zinc/71/84/41/1349718441.db2.gz MGVAQESKXMIDKZ-UHFFFAOYSA-N -1 1 326.312 2.280 20 0 EEADMM O=C(CCF)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592841307 1349718702 /nfs/dbraw/zinc/71/87/02/1349718702.db2.gz LHFLBEHZBNZZFO-UHFFFAOYSA-N -1 1 328.307 2.352 20 0 EEADMM O=C(CCF)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592841307 1349718709 /nfs/dbraw/zinc/71/87/09/1349718709.db2.gz LHFLBEHZBNZZFO-UHFFFAOYSA-N -1 1 328.307 2.352 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c(F)ccc(F)c1F ZINC001593136920 1349739340 /nfs/dbraw/zinc/73/93/40/1349739340.db2.gz YTCFUJKEVWUFRR-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593253656 1349751532 /nfs/dbraw/zinc/75/15/32/1349751532.db2.gz YFOPMTJPBRYHKX-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593253656 1349751539 /nfs/dbraw/zinc/75/15/39/1349751539.db2.gz YFOPMTJPBRYHKX-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM 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CCCCCn1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c(C)n1 ZINC001604179322 1350884995 /nfs/dbraw/zinc/88/49/95/1350884995.db2.gz PHQPYOPPQBZTOC-UHFFFAOYSA-N -1 1 341.423 2.272 20 0 EEADMM CCCCCn1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c(C)n1 ZINC001604179322 1350884999 /nfs/dbraw/zinc/88/49/99/1350884999.db2.gz PHQPYOPPQBZTOC-UHFFFAOYSA-N -1 1 341.423 2.272 20 0 EEADMM CCO[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1CCCC1 ZINC001604394694 1350929168 /nfs/dbraw/zinc/92/91/68/1350929168.db2.gz BGLPBLVFLSQNIY-ZDUSSCGKSA-N -1 1 345.407 2.001 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1(CC)CC ZINC001604412127 1350932656 /nfs/dbraw/zinc/93/26/56/1350932656.db2.gz HWJWFKKLUMVUOG-OLZOCXBDSA-N -1 1 333.392 2.173 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1(CC)CC ZINC001604412127 1350932659 /nfs/dbraw/zinc/93/26/59/1350932659.db2.gz HWJWFKKLUMVUOG-OLZOCXBDSA-N -1 1 333.392 2.173 20 0 EEADMM CC1(C)C(=O)N(CN2CCCC[C@@H]2CC(=O)[O-])[C@@H]1c1ccncc1 ZINC001604505710 1350950842 /nfs/dbraw/zinc/95/08/42/1350950842.db2.gz HJHLCZIWVVWSFL-GDBMZVCRSA-N -1 1 331.416 2.278 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(CN2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC001604603572 1350968149 /nfs/dbraw/zinc/96/81/49/1350968149.db2.gz SRKVWHHWZXPPAP-APWZRJJASA-N -1 1 330.428 2.463 20 0 EEADMM CCn1nc(C)c(CN(C)c2cc(C)cc(-c3nnn[n-]3)n2)c1C ZINC001604617122 1350970976 /nfs/dbraw/zinc/97/09/76/1350970976.db2.gz JFOYDWVIDBFXME-UHFFFAOYSA-N -1 1 326.408 2.040 20 0 EEADMM CCn1nc(C)c(CN(C)c2cc(C)cc(-c3nn[n-]n3)n2)c1C ZINC001604617122 1350970981 /nfs/dbraw/zinc/97/09/81/1350970981.db2.gz JFOYDWVIDBFXME-UHFFFAOYSA-N -1 1 326.408 2.040 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C[C@@H](O)c1cccc(Cl)c1 ZINC001604712658 1350989899 /nfs/dbraw/zinc/98/98/99/1350989899.db2.gz UINFABLJOSLPMW-BZRJDHSHSA-N -1 1 339.819 2.468 20 0 EEADMM COC(=O)[C@@](C)(NCc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604903688 1351028624 /nfs/dbraw/zinc/02/86/24/1351028624.db2.gz KXTXQEIOKGUGOR-INIZCTEOSA-N -1 1 343.412 2.106 20 0 EEADMM CC[C@H](C)N1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001604965253 1351040077 /nfs/dbraw/zinc/04/00/77/1351040077.db2.gz JWQBUBBWDYWPGJ-SMDDNHRTSA-N -1 1 335.448 2.317 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001604965512 1351040841 /nfs/dbraw/zinc/04/08/41/1351040841.db2.gz OZLXWOWLOPKVQP-JTQLQIEISA-N -1 1 340.811 2.381 20 0 EEADMM COc1cc(OC)c2c(c1)N(Cc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001605233862 1351111396 /nfs/dbraw/zinc/11/13/96/1351111396.db2.gz ABDXYIWYNLQUDQ-UHFFFAOYSA-N -1 1 341.371 2.430 20 0 EEADMM COc1cc(OC)c2c(c1)N(Cc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001605233862 1351111398 /nfs/dbraw/zinc/11/13/98/1351111398.db2.gz ABDXYIWYNLQUDQ-UHFFFAOYSA-N -1 1 341.371 2.430 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001605271439 1351120727 /nfs/dbraw/zinc/12/07/27/1351120727.db2.gz LDXIBQLBDMSHJS-NSHDSACASA-N -1 1 339.403 2.407 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001605271439 1351120731 /nfs/dbraw/zinc/12/07/31/1351120731.db2.gz LDXIBQLBDMSHJS-NSHDSACASA-N -1 1 339.403 2.407 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001605323834 1351137044 /nfs/dbraw/zinc/13/70/44/1351137044.db2.gz XOERCICKMQHODE-QWHCGFSZSA-N -1 1 336.355 2.013 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001605323834 1351137047 /nfs/dbraw/zinc/13/70/47/1351137047.db2.gz XOERCICKMQHODE-QWHCGFSZSA-N -1 1 336.355 2.013 20 0 EEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605331691 1351138477 /nfs/dbraw/zinc/13/84/77/1351138477.db2.gz KELDMDWAQRRNCW-GFCCVEGCSA-N -1 1 339.355 2.446 20 0 EEADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605331691 1351138481 /nfs/dbraw/zinc/13/84/81/1351138481.db2.gz KELDMDWAQRRNCW-GFCCVEGCSA-N -1 1 339.355 2.446 20 0 EEADMM CCCc1csc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC001605379146 1351149030 /nfs/dbraw/zinc/14/90/30/1351149030.db2.gz SLIOWQRCHZXQSF-NSHDSACASA-N -1 1 340.449 2.108 20 0 EEADMM Cc1c(-c2cccc(COC(C)C)c2)cn(C)c(=O)c1-c1nn[n-]n1 ZINC001605463299 1351163575 /nfs/dbraw/zinc/16/35/75/1351163575.db2.gz SVPYQKRLWRAQQR-UHFFFAOYSA-N -1 1 339.399 2.466 20 0 EEADMM CCN1CC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001605474353 1351165386 /nfs/dbraw/zinc/16/53/86/1351165386.db2.gz GQUXAYFBTXRVTD-ZDUSSCGKSA-N -1 1 335.404 2.388 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001605563311 1351190725 /nfs/dbraw/zinc/19/07/25/1351190725.db2.gz JMKQRZHYUFXQDY-IPYPFGDCSA-N -1 1 349.431 2.360 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001605563311 1351190728 /nfs/dbraw/zinc/19/07/28/1351190728.db2.gz JMKQRZHYUFXQDY-IPYPFGDCSA-N -1 1 349.431 2.360 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)[NH2+]CCC(C)(C)C(=O)[O-])[n-]1 ZINC001605581275 1351194079 /nfs/dbraw/zinc/19/40/79/1351194079.db2.gz MIJXUPWLHWHILY-LLVKDONJSA-N -1 1 340.424 2.159 20 0 EEADMM Cc1cc(C)c(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001605640431 1351208131 /nfs/dbraw/zinc/20/81/31/1351208131.db2.gz GQKMDGKGWUQMGQ-UHFFFAOYSA-N -1 1 336.399 2.046 20 0 EEADMM Cc1cc(C)c(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001605640431 1351208133 /nfs/dbraw/zinc/20/81/33/1351208133.db2.gz GQKMDGKGWUQMGQ-UHFFFAOYSA-N -1 1 336.399 2.046 20 0 EEADMM Cc1[nH]nc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)c1-c1nn[n-]n1 ZINC001605643981 1351209167 /nfs/dbraw/zinc/20/91/67/1351209167.db2.gz HJHJRPPRVOIBTA-UHFFFAOYSA-N -1 1 337.387 2.185 20 0 EEADMM Cc1cc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001605653079 1351211074 /nfs/dbraw/zinc/21/10/74/1351211074.db2.gz YRNUYMRMGPVCGO-CYBMUJFWSA-N -1 1 338.375 2.172 20 0 EEADMM Cc1cc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001605653079 1351211076 /nfs/dbraw/zinc/21/10/76/1351211076.db2.gz YRNUYMRMGPVCGO-CYBMUJFWSA-N -1 1 338.375 2.172 20 0 EEADMM Cc1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)nc1-c1nnn[n-]1 ZINC001605864775 1351240638 /nfs/dbraw/zinc/24/06/38/1351240638.db2.gz LZWYRIVPENBWJL-AWEZNQCLSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)nc1-c1nn[n-]n1 ZINC001605864775 1351240639 /nfs/dbraw/zinc/24/06/39/1351240639.db2.gz LZWYRIVPENBWJL-AWEZNQCLSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccnc2ccc(C(=O)N(C)c3ccc(-c4nnn[n-]4)nc3)cc12 ZINC001605960582 1351259444 /nfs/dbraw/zinc/25/94/44/1351259444.db2.gz VXJGYVBOXOKFNQ-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1ccnc2ccc(C(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)cc12 ZINC001605960582 1351259447 /nfs/dbraw/zinc/25/94/47/1351259447.db2.gz VXJGYVBOXOKFNQ-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3ccsc32)c1-c1nnn[n-]1 ZINC001606112193 1351273158 /nfs/dbraw/zinc/27/31/58/1351273158.db2.gz FLLBIXDHDKEGQU-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3ccsc32)c1-c1nn[n-]n1 ZINC001606112193 1351273160 /nfs/dbraw/zinc/27/31/60/1351273160.db2.gz FLLBIXDHDKEGQU-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3ncccn3)C2)nc1-c1nnn[n-]1 ZINC001606191055 1351283434 /nfs/dbraw/zinc/28/34/34/1351283434.db2.gz DPCFKBQZDSGOGJ-SNVBAGLBSA-N -1 1 342.794 2.089 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3ncccn3)C2)nc1-c1nn[n-]n1 ZINC001606191055 1351283436 /nfs/dbraw/zinc/28/34/36/1351283436.db2.gz DPCFKBQZDSGOGJ-SNVBAGLBSA-N -1 1 342.794 2.089 20 0 EEADMM Cn1nc(CNc2snc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC001606271981 1351288727 /nfs/dbraw/zinc/28/87/27/1351288727.db2.gz YULXBSBPGATUKO-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM Cn1nc(CNc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC001606271981 1351288728 /nfs/dbraw/zinc/28/87/28/1351288728.db2.gz YULXBSBPGATUKO-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC001606333608 1351294148 /nfs/dbraw/zinc/29/41/48/1351294148.db2.gz UQMIGIXOBNITLZ-HNNXBMFYSA-N -1 1 345.399 2.149 20 0 EEADMM O=C(CCc1cccnc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606531086 1351318021 /nfs/dbraw/zinc/31/80/21/1351318021.db2.gz VZULPULHAFCTSS-UHFFFAOYSA-N -1 1 344.762 2.192 20 0 EEADMM COC(=O)c1cc(Br)oc1CN[C@H]1CC=C(C(=O)[O-])C1 ZINC001606535140 1351318487 /nfs/dbraw/zinc/31/84/87/1351318487.db2.gz UJCPSMMBFYOSAO-QMMMGPOBSA-N -1 1 344.161 2.092 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001606830687 1351363514 /nfs/dbraw/zinc/36/35/14/1351363514.db2.gz ABICNRCYKGLFIZ-BLLLJJGKSA-N -1 1 343.387 2.429 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606832046 1351363675 /nfs/dbraw/zinc/36/36/75/1351363675.db2.gz PJHHJNDFBPDWMA-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606832046 1351363677 /nfs/dbraw/zinc/36/36/77/1351363677.db2.gz PJHHJNDFBPDWMA-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001606842231 1351365852 /nfs/dbraw/zinc/36/58/52/1351365852.db2.gz LYGKALLMEJGXJT-CHWSQXEVSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001606842231 1351365855 /nfs/dbraw/zinc/36/58/55/1351365855.db2.gz LYGKALLMEJGXJT-CHWSQXEVSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC001606842047 1351365991 /nfs/dbraw/zinc/36/59/91/1351365991.db2.gz DWYNOUQQKYUWKR-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC001606842047 1351365992 /nfs/dbraw/zinc/36/59/92/1351365992.db2.gz DWYNOUQQKYUWKR-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccsc1-c1nnn[n-]1 ZINC001606876218 1351368899 /nfs/dbraw/zinc/36/88/99/1351368899.db2.gz SYFNLJGLPSIOCV-LDYMZIIASA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccsc1-c1nn[n-]n1 ZINC001606876218 1351368901 /nfs/dbraw/zinc/36/89/01/1351368901.db2.gz SYFNLJGLPSIOCV-LDYMZIIASA-N -1 1 347.350 2.492 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2occc21 ZINC001606943903 1351380927 /nfs/dbraw/zinc/38/09/27/1351380927.db2.gz HBKHTLHOMNIJNH-LLVKDONJSA-N -1 1 325.332 2.054 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2occc21 ZINC001606943903 1351380928 /nfs/dbraw/zinc/38/09/28/1351380928.db2.gz HBKHTLHOMNIJNH-LLVKDONJSA-N -1 1 325.332 2.054 20 0 EEADMM COCc1cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)ccc1F ZINC001606941420 1351381161 /nfs/dbraw/zinc/38/11/61/1351381161.db2.gz DPZUBTWMIYRNRR-AWEZNQCLSA-N -1 1 333.363 2.492 20 0 EEADMM O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)c1coc(-c2nn[n-]n2)c1 ZINC001606949602 1351383230 /nfs/dbraw/zinc/38/32/30/1351383230.db2.gz RTIIDZCKCIQSHY-UHFFFAOYSA-N -1 1 347.697 2.381 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cnc(CC2CC2)s1 ZINC001606979206 1351390978 /nfs/dbraw/zinc/39/09/78/1351390978.db2.gz ODNLINFOVJNBJS-UHFFFAOYSA-N -1 1 331.357 2.226 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cnc(CC2CC2)s1 ZINC001606979206 1351390982 /nfs/dbraw/zinc/39/09/82/1351390982.db2.gz ODNLINFOVJNBJS-UHFFFAOYSA-N -1 1 331.357 2.226 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cncc2ccccc21 ZINC001606982571 1351392292 /nfs/dbraw/zinc/39/22/92/1351392292.db2.gz SNXWSQUQLNRPKZ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cncc2ccccc21 ZINC001606982571 1351392295 /nfs/dbraw/zinc/39/22/95/1351392295.db2.gz SNXWSQUQLNRPKZ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2[nH]c3ccccc3c2C1 ZINC001607017359 1351398300 /nfs/dbraw/zinc/39/83/00/1351398300.db2.gz RFTYMDWUOTUVDJ-UHFFFAOYSA-N -1 1 334.339 2.140 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2[nH]c3ccccc3c2C1 ZINC001607017359 1351398305 /nfs/dbraw/zinc/39/83/05/1351398305.db2.gz RFTYMDWUOTUVDJ-UHFFFAOYSA-N -1 1 334.339 2.140 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001607017077 1351398551 /nfs/dbraw/zinc/39/85/51/1351398551.db2.gz NTGYAVDPMKMKKQ-GXFFZTMASA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001607017077 1351398555 /nfs/dbraw/zinc/39/85/55/1351398555.db2.gz NTGYAVDPMKMKKQ-GXFFZTMASA-N -1 1 345.428 2.102 20 0 EEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC001607070818 1351406377 /nfs/dbraw/zinc/40/63/77/1351406377.db2.gz RTQAMFUKYXIOOZ-UHFFFAOYSA-N -1 1 336.760 2.288 20 0 EEADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(-c2nn[nH]n2)o1 ZINC001607069082 1351406644 /nfs/dbraw/zinc/40/66/44/1351406644.db2.gz VTJXWTSJIJPYGN-UHFFFAOYSA-N -1 1 345.384 2.139 20 0 EEADMM OCC1(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001607101523 1351419083 /nfs/dbraw/zinc/41/90/83/1351419083.db2.gz MQJQQWILYJCIMY-UHFFFAOYSA-N -1 1 342.325 2.245 20 0 EEADMM OCC1(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001607101523 1351419085 /nfs/dbraw/zinc/41/90/85/1351419085.db2.gz MQJQQWILYJCIMY-UHFFFAOYSA-N -1 1 342.325 2.245 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1ncnc(-c2ccccc2)n1 ZINC001607124928 1351428900 /nfs/dbraw/zinc/42/89/00/1351428900.db2.gz IFWNGEBSJWJNKN-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCc2ccccc2[C@H]1CO ZINC001607216158 1351450925 /nfs/dbraw/zinc/45/09/25/1351450925.db2.gz YDKSESOAPGWRHJ-QGZVFWFLSA-N -1 1 327.380 2.485 20 0 EEADMM COc1ccc(CNC(=O)c2cccc3nc[nH]c32)cc1C(=O)[O-] ZINC001607258055 1351459943 /nfs/dbraw/zinc/45/99/43/1351459943.db2.gz FXCBGBNZBGDAMP-UHFFFAOYSA-N -1 1 325.324 2.200 20 0 EEADMM COc1cccc([C@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC001607309721 1351470147 /nfs/dbraw/zinc/47/01/47/1351470147.db2.gz QPNKLNOHSCNIGG-ZDUSSCGKSA-N -1 1 334.416 2.250 20 0 EEADMM C[C@H]1CN([C@H]2CCN(c3ccccc3Cl)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607474856 1351499621 /nfs/dbraw/zinc/49/96/21/1351499621.db2.gz UEIUKQJMONJNAR-YLVFBTJISA-N -1 1 336.819 2.488 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc3nc(C)oc3c2)c(C(=O)[O-])[nH]1 ZINC001607697227 1351541618 /nfs/dbraw/zinc/54/16/18/1351541618.db2.gz BCRYEFUFHUOKHC-UHFFFAOYSA-N -1 1 335.341 2.272 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])cc1C ZINC001607750862 1351551671 /nfs/dbraw/zinc/55/16/71/1351551671.db2.gz PVIFCFUZBNBWCB-USXIJHARSA-N -1 1 348.443 2.093 20 0 EEADMM Cc1cccc(CN2CCO[C@H](CNCc3cc(C(=O)[O-])co3)C2)c1 ZINC001607850508 1351571465 /nfs/dbraw/zinc/57/14/65/1351571465.db2.gz IRQJTTNXOJXNKT-GOSISDBHSA-N -1 1 344.411 2.277 20 0 EEADMM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1N ZINC001607960860 1351593671 /nfs/dbraw/zinc/59/36/71/1351593671.db2.gz HDGSNDMLYCYACL-UHFFFAOYSA-N -1 1 341.776 2.125 20 0 EEADMM Cc1sc([C@H]2CCCN2CCN2CCOC[C@H]2C)nc1C(=O)[O-] ZINC001608069509 1351618575 /nfs/dbraw/zinc/61/85/75/1351618575.db2.gz WGFBCPSWVDELBA-DGCLKSJQSA-N -1 1 339.461 2.007 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001608293615 1351665675 /nfs/dbraw/zinc/66/56/75/1351665675.db2.gz GTBQDNRSRYDYKB-JFGNBEQYSA-N -1 1 347.337 2.280 20 0 EEADMM O=C([O-])C1(NCC(=O)Nc2nnc(-c3ccco3)o2)CCCCCC1 ZINC001608339438 1351674107 /nfs/dbraw/zinc/67/41/07/1351674107.db2.gz WVFBFSTXFQBMDW-UHFFFAOYSA-N -1 1 348.359 2.035 20 0 EEADMM O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc([O-])c1F ZINC001623316172 1352394459 /nfs/dbraw/zinc/39/44/59/1352394459.db2.gz LSIMKYZZAIFYNE-LBPRGKRZSA-N -1 1 328.343 2.346 20 0 EEADMM Cc1nn(C)cc1CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001634381917 1352627282 /nfs/dbraw/zinc/62/72/82/1352627282.db2.gz RNHJOZXIKFKTTL-UHFFFAOYSA-N -1 1 325.372 2.191 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC2(CCCC2=O)CC1 ZINC001649905735 1353644211 /nfs/dbraw/zinc/64/42/11/1353644211.db2.gz GUFANJOKLJPZAJ-UHFFFAOYSA-N -1 1 335.429 2.188 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cn3ccsc3n2)c(F)c1 ZINC001654839444 1354159688 /nfs/dbraw/zinc/15/96/88/1354159688.db2.gz UGUANIVTKRVGLW-UHFFFAOYSA-N -1 1 343.380 2.461 20 0 EEADMM COc1cc(Cl)cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000815459968 1368010191 /nfs/dbraw/zinc/01/01/91/1368010191.db2.gz XRBLZTYPUZRJCV-UHFFFAOYSA-N -1 1 347.754 2.462 20 0 EEADMM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc(-c2nn[nH]n2)cc1 ZINC001185556653 1368159280 /nfs/dbraw/zinc/15/92/80/1368159280.db2.gz KZQYYMBXDBOAIT-UHFFFAOYSA-N -1 1 341.396 2.156 20 0 EEADMM O=C(Nc1ccc(C[C@H]2COC(=O)N2)cc1)c1ccc([O-])cc1F ZINC001186328778 1368195489 /nfs/dbraw/zinc/19/54/89/1368195489.db2.gz IXQIDTVTNQUVSR-LBPRGKRZSA-N -1 1 330.315 2.435 20 0 EEADMM CCCCOC(=O)CNC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001188246814 1368290343 /nfs/dbraw/zinc/29/03/43/1368290343.db2.gz IVMVJQKXGCYCIY-UHFFFAOYSA-N -1 1 332.360 2.043 20 0 EEADMM O=S(=O)(CC1CC1)[N-]c1cn2cc(Br)ccc2n1 ZINC001188930163 1368331253 /nfs/dbraw/zinc/33/12/53/1368331253.db2.gz AYZWGBWELHCIME-UHFFFAOYSA-N -1 1 330.207 2.249 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2cnc(C)n2C)c1 ZINC001196077546 1368583520 /nfs/dbraw/zinc/58/35/20/1368583520.db2.gz ZGLBYHBPDJANEZ-UHFFFAOYSA-N -1 1 340.177 2.458 20 0 EEADMM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)nc2F)n1 ZINC000867412066 1368858454 /nfs/dbraw/zinc/85/84/54/1368858454.db2.gz GRPWGYXEROGTPQ-SSDOTTSWSA-N -1 1 333.385 2.418 20 0 EEADMM O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ncccc1[O-] ZINC000107770694 1369153140 /nfs/dbraw/zinc/15/31/40/1369153140.db2.gz DFNTYMALXIWQLI-LBPRGKRZSA-N -1 1 326.274 2.269 20 0 EEADMM COC(=O)[C@H](C)CN(Cn1[n-]c(-c2ccccn2)nc1=S)C1CC1 ZINC000117319875 1369461439 /nfs/dbraw/zinc/46/14/39/1369461439.db2.gz VFNAQODOGDCRBC-LLVKDONJSA-N -1 1 347.444 2.234 20 0 EEADMM Cn1ccnc1[C@](O)(CC(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC000863009841 1369554711 /nfs/dbraw/zinc/55/47/11/1369554711.db2.gz LLKGYCOMVIVVFI-CYBMUJFWSA-N -1 1 347.268 2.044 20 0 EEADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)NCC(F)(F)F ZINC000055885277 1369807203 /nfs/dbraw/zinc/80/72/03/1369807203.db2.gz CCKWORBITSPBGN-VIFPVBQESA-N -1 1 340.301 2.342 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ncc(Cl)cn1 ZINC001069360016 1370096700 /nfs/dbraw/zinc/09/67/00/1370096700.db2.gz RALVJWBSALEJJF-CMPLNLGQSA-N -1 1 347.806 2.018 20 0 EEADMM Cc1cccc([C@H](C)C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001389361559 1388074243 /nfs/dbraw/zinc/07/42/43/1388074243.db2.gz ALYMJBGSKPUHEC-KBPBESRZSA-N -1 1 341.411 2.134 20 0 EEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)N(C)C ZINC000798812774 1371612773 /nfs/dbraw/zinc/61/27/73/1371612773.db2.gz SNBXFHNLLDYVLJ-MRXNPFEDSA-N -1 1 334.441 2.231 20 0 EEADMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001118130597 1371778017 /nfs/dbraw/zinc/77/80/17/1371778017.db2.gz DRWGHFWGWPNSOQ-IUCAKERBSA-N -1 1 341.260 2.464 20 0 EEADMM CC(C)CC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389540694 1388183281 /nfs/dbraw/zinc/18/32/81/1388183281.db2.gz XBHPYMBPCYZYAY-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM O=S(=O)([N-]Cc1ccccc1OCC1CC1)c1c[nH]nc1Cl ZINC000830648632 1372337994 /nfs/dbraw/zinc/33/79/94/1372337994.db2.gz OULZNPFJOGSAQR-UHFFFAOYSA-N -1 1 341.820 2.330 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)nc1 ZINC000848340808 1373137010 /nfs/dbraw/zinc/13/70/10/1373137010.db2.gz FOSQRFKBHDIYFT-GHMZBOCLSA-N -1 1 329.322 2.062 20 0 EEADMM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001361789363 1373338448 /nfs/dbraw/zinc/33/84/48/1373338448.db2.gz WJQCCZFLSFAGIO-UHFFFAOYSA-N -1 1 339.273 2.332 20 0 EEADMM CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(=O)n(C)[n-]2)CC1 ZINC001362173181 1373374772 /nfs/dbraw/zinc/37/47/72/1373374772.db2.gz JOPNBEFYBZKIBA-INIZCTEOSA-N -1 1 328.416 2.035 20 0 EEADMM CC[C@@H](CN1CCOCC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001362929052 1373470902 /nfs/dbraw/zinc/47/09/02/1373470902.db2.gz CPIOIOGUCKOCIK-HNNXBMFYSA-N -1 1 328.412 2.386 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCC(C)(C)c1ccccn1 ZINC001363266727 1373498846 /nfs/dbraw/zinc/49/88/46/1373498846.db2.gz RTCCIWQGRTUEHV-UHFFFAOYSA-N -1 1 332.429 2.315 20 0 EEADMM O=C(Nc1nnc([C@H]2CCCO2)s1)c1cnc(C2CC2)[n-]c1=O ZINC001363522541 1373529301 /nfs/dbraw/zinc/52/93/01/1373529301.db2.gz FQSLILNLUMNZPK-SECBINFHSA-N -1 1 333.373 2.015 20 0 EEADMM CSc1nc(CNC(=O)c2cccnc2C(F)(F)F)cc(=O)[n-]1 ZINC001363633070 1373539983 /nfs/dbraw/zinc/53/99/83/1373539983.db2.gz NPTAPGQKWQBDIT-UHFFFAOYSA-N -1 1 344.318 2.248 20 0 EEADMM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1sccc1Cl ZINC001365397731 1373714503 /nfs/dbraw/zinc/71/45/03/1373714503.db2.gz ACPPWQYZCUPHDZ-LLVKDONJSA-N -1 1 331.846 2.283 20 0 EEADMM CCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001369593719 1374585795 /nfs/dbraw/zinc/58/57/95/1374585795.db2.gz KLSVWPMELOIWHP-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)co1 ZINC001371096178 1375221295 /nfs/dbraw/zinc/22/12/95/1375221295.db2.gz GQOUIAWOGSQVJG-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CN(C(=O)CCC1CCCC1)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001371173428 1375278850 /nfs/dbraw/zinc/27/88/50/1375278850.db2.gz UKKWDNBNNKHGKP-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CCCC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001372095168 1375766348 /nfs/dbraw/zinc/76/63/48/1375766348.db2.gz SBKNACUDFAUPNS-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1nc(CNC[C@H](C2CC2)N(C)C(=O)c2ncccc2[O-])oc1C ZINC001378995801 1380362536 /nfs/dbraw/zinc/36/25/36/1380362536.db2.gz KCYNWPQSAFOPDV-CQSZACIVSA-N -1 1 344.415 2.032 20 0 EEADMM C[C@H](C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CC1 ZINC001384355895 1382892603 /nfs/dbraw/zinc/89/26/03/1382892603.db2.gz KBDSVKZFTBUNBG-FZMZJTMJSA-N -1 1 333.432 2.094 20 0 EEADMM CCC[C@@H](C)C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385470564 1385599395 /nfs/dbraw/zinc/59/93/95/1385599395.db2.gz YGDCQPDWTRDJJC-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)s1 ZINC001385708591 1385787056 /nfs/dbraw/zinc/78/70/56/1385787056.db2.gz YRTACYZHUXRCQF-GFCCVEGCSA-N -1 1 345.424 2.096 20 0 EEADMM CCCC[C@@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001386550447 1386186114 /nfs/dbraw/zinc/18/61/14/1386186114.db2.gz MIGXUYMDWYFAEU-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CCNC(=O)c1ccc(Cl)cc1)NC(=O)c1ncccc1[O-] ZINC001386760471 1386299669 /nfs/dbraw/zinc/29/96/69/1386299669.db2.gz SRVWNIFKOYEZFO-LLVKDONJSA-N -1 1 347.802 2.379 20 0 EEADMM Cc1cccc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])c1C ZINC001387439825 1386735965 /nfs/dbraw/zinc/73/59/65/1386735965.db2.gz FQPVDYFEHOZBHY-CYBMUJFWSA-N -1 1 341.411 2.342 20 0 EEADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)C(C)(C)C1CCCCC1 ZINC001392112614 1389820725 /nfs/dbraw/zinc/82/07/25/1389820725.db2.gz MJIRGNMOHRQGFI-LBPRGKRZSA-N -1 1 337.468 2.053 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccoc1C ZINC001395234700 1390804011 /nfs/dbraw/zinc/80/40/11/1390804011.db2.gz KDMBZPHOFJQQHD-ZDUSSCGKSA-N -1 1 345.399 2.407 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001396385936 1390940104 /nfs/dbraw/zinc/94/01/04/1390940104.db2.gz FCIZKQLFCCJYJW-KGLIPLIRSA-N -1 1 345.443 2.381 20 0 EEADMM CCCCC(=O)N1CC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001396740813 1390963675 /nfs/dbraw/zinc/96/36/75/1390963675.db2.gz PDEQEFVPYVGBEE-CYBMUJFWSA-N -1 1 348.447 2.135 20 0 EEADMM Cc1scc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001397452986 1391233495 /nfs/dbraw/zinc/23/34/95/1391233495.db2.gz PJRQELHJLPRTCO-SECBINFHSA-N -1 1 333.413 2.014 20 0 EEADMM Cc1cc(F)cc(C)c1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001397523722 1391286981 /nfs/dbraw/zinc/28/69/81/1391286981.db2.gz QQKOKDVQVMZZND-LBPRGKRZSA-N -1 1 345.374 2.091 20 0 EEADMM CCC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CCCC1 ZINC001398308874 1392157603 /nfs/dbraw/zinc/15/76/03/1392157603.db2.gz AORMUOVEFYVWNF-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CCc1ccsc1C(=O)NC[C@@H](CC)NC(=O)c1ncccc1[O-] ZINC001398975674 1394406425 /nfs/dbraw/zinc/40/64/25/1394406425.db2.gz AKXZRUSXISTSON-GFCCVEGCSA-N -1 1 347.440 2.350 20 0 EEADMM CC[C@H](CC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1)C(C)C ZINC001400634552 1396486833 /nfs/dbraw/zinc/48/68/33/1396486833.db2.gz NONAXPPIENJPPZ-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H]1[C@H](NC(=O)CCC2CCC2)CCCN1C(=O)c1ncccc1[O-] ZINC001425684862 1401733271 /nfs/dbraw/zinc/73/32/71/1401733271.db2.gz XNFQXDMPZGIKAK-UKRRQHHQSA-N -1 1 345.443 2.477 20 0 EEADMM COC(=O)CC1(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC001426044257 1401866926 /nfs/dbraw/zinc/86/69/26/1401866926.db2.gz ZVJNAPJYEMFLQX-UHFFFAOYSA-N -1 1 344.371 2.185 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001432709414 1403275432 /nfs/dbraw/zinc/27/54/32/1403275432.db2.gz IJRPHWZJFDBTFC-AWEZNQCLSA-N -1 1 345.374 2.195 20 0 EEADMM COc1cccc(Cl)c1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001434744375 1403486342 /nfs/dbraw/zinc/48/63/42/1403486342.db2.gz NVMRCFSVDLGAES-UHFFFAOYSA-N -1 1 336.783 2.273 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccn(CCn2cccn2)n1 ZINC001570101424 1403509383 /nfs/dbraw/zinc/50/93/83/1403509383.db2.gz HXGOGZMRQNAEHZ-UHFFFAOYSA-N -1 1 333.298 2.016 20 0 EEADMM CC[C@H](C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576615834 1403591371 /nfs/dbraw/zinc/59/13/71/1403591371.db2.gz JDKAEYUWLUGZTN-GXSJLCMTSA-N -1 1 349.464 2.081 20 0 EEADMM CCCCC(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577395936 1403644443 /nfs/dbraw/zinc/64/44/43/1403644443.db2.gz AFOMCFAPOUZDPN-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CCCCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001577399163 1403645569 /nfs/dbraw/zinc/64/55/69/1403645569.db2.gz JWNBAIBCKCOBIF-ONGXEEELSA-N -1 1 349.464 2.081 20 0 EEADMM CCc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)nc(C)n1)CCO2 ZINC001578527743 1403768038 /nfs/dbraw/zinc/76/80/38/1403768038.db2.gz YREIBQRHQSXLFL-CYBMUJFWSA-N -1 1 337.387 2.463 20 0 EEADMM CCc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)nc(C)n1)CCO2 ZINC001578527743 1403768046 /nfs/dbraw/zinc/76/80/46/1403768046.db2.gz YREIBQRHQSXLFL-CYBMUJFWSA-N -1 1 337.387 2.463 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001580151886 1403837532 /nfs/dbraw/zinc/83/75/32/1403837532.db2.gz DQULYFJWKCJPIJ-QHCPKHFHSA-N -1 1 348.413 2.216 20 0 EEADMM COc1cccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)c1 ZINC001591640246 1403933520 /nfs/dbraw/zinc/93/35/20/1403933520.db2.gz UOZAIJQTNBNHSV-UHFFFAOYSA-N -1 1 333.351 2.239 20 0 EEADMM Cc1[nH]c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)o3)cc2c1C ZINC001591789492 1403950112 /nfs/dbraw/zinc/95/01/12/1403950112.db2.gz XDQHGOVSTJBQRK-UHFFFAOYSA-N -1 1 336.355 2.488 20 0 EEADMM Cc1[nH]c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)o3)cc2c1C ZINC001591789492 1403950116 /nfs/dbraw/zinc/95/01/16/1403950116.db2.gz XDQHGOVSTJBQRK-UHFFFAOYSA-N -1 1 336.355 2.488 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C(F)(F)F)o1 ZINC001592138895 1404004946 /nfs/dbraw/zinc/00/49/46/1404004946.db2.gz ZZXIVEQXAACUQR-JTQLQIEISA-N -1 1 341.249 2.395 20 0 EEADMM Cc1ccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C(F)(F)F)o1 ZINC001592138895 1404004951 /nfs/dbraw/zinc/00/49/51/1404004951.db2.gz ZZXIVEQXAACUQR-JTQLQIEISA-N -1 1 341.249 2.395 20 0 EEADMM Cc1nc(N[C@H](C)COc2ccc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001592381458 1404027572 /nfs/dbraw/zinc/02/75/72/1404027572.db2.gz YTBFNXUETBUQNP-MRVPVSSYSA-N -1 1 347.329 2.123 20 0 EEADMM Cc1nc(N[C@H](C)COc2ccc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001592381458 1404027581 /nfs/dbraw/zinc/02/75/81/1404027581.db2.gz YTBFNXUETBUQNP-MRVPVSSYSA-N -1 1 347.329 2.123 20 0 EEADMM Cc1nsc(NCCC[C@@H](C)NC(=O)C2CCC2)c1-c1nn[n-]n1 ZINC001592490168 1404700946 /nfs/dbraw/zinc/70/09/46/1404700946.db2.gz GCMFJQWSPSMLKV-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM Cc1nsc(S[C@H](C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC001592494428 1404703665 /nfs/dbraw/zinc/70/36/65/1404703665.db2.gz RBIPHXXSYJLHMW-SSDOTTSWSA-N -1 1 327.435 2.454 20 0 EEADMM Cc1nsc(S[C@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592494428 1404703672 /nfs/dbraw/zinc/70/36/72/1404703672.db2.gz RBIPHXXSYJLHMW-SSDOTTSWSA-N -1 1 327.435 2.454 20 0 EEADMM Fc1cccc2c1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CCO2 ZINC001592661675 1404705758 /nfs/dbraw/zinc/70/57/58/1404705758.db2.gz XZOLZKFUINPROT-UHFFFAOYSA-N -1 1 346.753 2.453 20 0 EEADMM Fc1cccc2c1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CCO2 ZINC001592661675 1404705764 /nfs/dbraw/zinc/70/57/64/1404705764.db2.gz XZOLZKFUINPROT-UHFFFAOYSA-N -1 1 346.753 2.453 20 0 EEADMM Cc1nsc(N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1-c1nn[n-]n1 ZINC001606142338 1404768073 /nfs/dbraw/zinc/76/80/73/1404768073.db2.gz BFGVEXJIENTKIZ-ZETCQYMHSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC001606166310 1404771323 /nfs/dbraw/zinc/77/13/23/1404771323.db2.gz APWRYWOOQCRSOZ-KRWDZBQOSA-N -1 1 347.419 2.219 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(O)CCCC(C)(C)CC1 ZINC001606166310 1404771327 /nfs/dbraw/zinc/77/13/27/1404771327.db2.gz APWRYWOOQCRSOZ-KRWDZBQOSA-N -1 1 347.419 2.219 20 0 EEADMM Clc1cccc(CC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001606194761 1404776749 /nfs/dbraw/zinc/77/67/49/1404776749.db2.gz YLISQIAGXSTLGK-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc(CC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001606194761 1404776758 /nfs/dbraw/zinc/77/67/58/1404776758.db2.gz YLISQIAGXSTLGK-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001606298618 1404779177 /nfs/dbraw/zinc/77/91/77/1404779177.db2.gz ZHBZSQQILFLGIM-ZCFIWIBFSA-N -1 1 349.798 2.118 20 0 EEADMM FC(F)CN1CCC[C@@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606298618 1404779180 /nfs/dbraw/zinc/77/91/80/1404779180.db2.gz ZHBZSQQILFLGIM-ZCFIWIBFSA-N -1 1 349.798 2.118 20 0 EEADMM FC1(F)[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)[C@@H]1c1ccccc1 ZINC001606300519 1404781354 /nfs/dbraw/zinc/78/13/54/1404781354.db2.gz VWNMAFIQGXRARQ-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM FC1(F)[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)[C@@H]1c1ccccc1 ZINC001606300519 1404781362 /nfs/dbraw/zinc/78/13/62/1404781362.db2.gz VWNMAFIQGXRARQ-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(Cc2c(F)ccc(C)c2F)C1 ZINC001606393044 1404806889 /nfs/dbraw/zinc/80/68/89/1404806889.db2.gz GLUGUINGVPXFOH-MFKMUULPSA-N -1 1 327.327 2.111 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ncccc3Cl)ccc21 ZINC000180194449 1405819623 /nfs/dbraw/zinc/81/96/23/1405819623.db2.gz XTTJRULRPHGEPJ-UHFFFAOYSA-N -1 1 337.788 2.055 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H]1C=CCC1 ZINC001756702482 1409222126 /nfs/dbraw/zinc/22/21/26/1409222126.db2.gz COZFMBAYGHRVLM-UKRRQHHQSA-N -1 1 345.443 2.404 20 0 EEADMM CC/C(C)=C/C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001756709986 1409234278 /nfs/dbraw/zinc/23/42/78/1409234278.db2.gz GMDGCJXEDGDPHX-IEZBTEQYSA-N -1 1 333.432 2.404 20 0 EEADMM CC(C)=C(C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001757299039 1409642590 /nfs/dbraw/zinc/64/25/90/1409642590.db2.gz FSUHGYXPDAKIEY-CQSZACIVSA-N -1 1 331.416 2.207 20 0 EEADMM C/C=C(\C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001757401812 1409700272 /nfs/dbraw/zinc/70/02/72/1409700272.db2.gz OFPCALSKCTZWBT-GLLGWGDWSA-N -1 1 331.416 2.110 20 0 EEADMM CC(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])cc1O)N1CCCCC1 ZINC001771610600 1409880824 /nfs/dbraw/zinc/88/08/24/1409880824.db2.gz XTOBZBGTJRKQQU-KRWDZBQOSA-N -1 1 335.400 2.334 20 0 EEADMM O=C(NCC1(Nc2ncncc2Cl)CCCC1)c1ncccc1[O-] ZINC001104382374 760007502 /nfs/dbraw/zinc/00/75/02/760007502.db2.gz LXBPVVLRDUMZPT-UHFFFAOYSA-N -1 1 347.806 2.385 20 0 EEADMM O=S(=O)([N-]Cc1cc2n(n1)CCCC2)c1sccc1Cl ZINC000919623250 770102354 /nfs/dbraw/zinc/10/23/54/770102354.db2.gz UWOUEUHBHFGHDQ-UHFFFAOYSA-N -1 1 331.850 2.413 20 0 EEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2N)cc1F ZINC001211687008 770301264 /nfs/dbraw/zinc/30/12/64/770301264.db2.gz OBBVGRCWHFBHCB-UHFFFAOYSA-N -1 1 332.303 2.496 20 0 EEADMM CC(C)c1ocnc1CN1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001027844552 773437308 /nfs/dbraw/zinc/43/73/08/773437308.db2.gz UZXDXYFTOKNPAE-ZDUSSCGKSA-N -1 1 344.415 2.293 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000942758714 783148271 /nfs/dbraw/zinc/14/82/71/783148271.db2.gz QRKJQRLUGUTNTA-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CNc2ccccc2C1 ZINC000846691715 790415442 /nfs/dbraw/zinc/41/54/42/790415442.db2.gz SKDDXOVFLQNRTD-CYBMUJFWSA-N -1 1 326.400 2.381 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H](CCNc2nccnc2F)C1 ZINC001063272405 790537033 /nfs/dbraw/zinc/53/70/33/790537033.db2.gz PELSLAHSVHWURA-LBPRGKRZSA-N -1 1 345.378 2.071 20 0 EEADMM C[C@H]1CCC[C@@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832958 779378541 /nfs/dbraw/zinc/37/85/41/779378541.db2.gz RRMBLUZGDKNRNV-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM COCc1nc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(=O)[n-]1 ZINC000893830389 780207404 /nfs/dbraw/zinc/20/74/04/780207404.db2.gz SKSFHTGBJNGZLD-BZUAXINKSA-N -1 1 341.411 2.338 20 0 EEADMM CCOc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc(C)n1 ZINC001167934388 780989398 /nfs/dbraw/zinc/98/93/98/780989398.db2.gz IMMRYGVUYVVSEG-UHFFFAOYSA-N -1 1 349.327 2.268 20 0 EEADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C1CCC1 ZINC000997710172 790846947 /nfs/dbraw/zinc/84/69/47/790846947.db2.gz RDKBYKCZTFSONQ-RZFFKMDDSA-N -1 1 343.427 2.085 20 0 EEADMM Cc1cc(CN[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)no1 ZINC001088301853 783428862 /nfs/dbraw/zinc/42/88/62/783428862.db2.gz KLXZFVJSWHCLPU-AWEZNQCLSA-N -1 1 344.415 2.258 20 0 EEADMM COC(=O)c1ccc(-c2nc(COC(=O)c3cn[n-]n3)cs2)cc1 ZINC000805603044 783583704 /nfs/dbraw/zinc/58/37/04/783583704.db2.gz FOBHPGPSOIPCLT-UHFFFAOYSA-N -1 1 344.352 2.072 20 0 EEADMM O=C(CC1=CCCCC1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000945286822 783778510 /nfs/dbraw/zinc/77/85/10/783778510.db2.gz MLHMXICEBKPICO-UHFFFAOYSA-N -1 1 343.427 2.399 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CC2(F)F)o1 ZINC000816423074 783994317 /nfs/dbraw/zinc/99/43/17/783994317.db2.gz YHAJHTFMTFOMMI-MRVPVSSYSA-N -1 1 337.344 2.168 20 0 EEADMM CCSc1ccccc1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000907105614 784375180 /nfs/dbraw/zinc/37/51/80/784375180.db2.gz UOPOAHILGHJPDQ-ZDUSSCGKSA-N -1 1 331.445 2.260 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000945611852 784502779 /nfs/dbraw/zinc/50/27/79/784502779.db2.gz XIPCMWHTDQTVTA-UKRRQHHQSA-N -1 1 343.427 2.110 20 0 EEADMM CCC1(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC000945676670 784608128 /nfs/dbraw/zinc/60/81/28/784608128.db2.gz MCLPMUVTLVPYIY-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1ccc(-c2ccccc2)o1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479746 784686836 /nfs/dbraw/zinc/68/68/36/784686836.db2.gz MIRKSIHXVIIUGH-LBPRGKRZSA-N -1 1 341.396 2.390 20 0 EEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479757 784687880 /nfs/dbraw/zinc/68/78/80/784687880.db2.gz HZEWCJJKEUDCBJ-XQQFMLRXSA-N -1 1 349.847 2.273 20 0 EEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccccc1[C@@H](O)C(F)(F)F)OC ZINC000817355971 784693754 /nfs/dbraw/zinc/69/37/54/784693754.db2.gz AHSNOFBCSPWISS-JOYOIKCWSA-N -1 1 341.351 2.449 20 0 EEADMM CCO[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491689 784794581 /nfs/dbraw/zinc/79/45/81/784794581.db2.gz CXPQWCJBANJZAD-CMPLNLGQSA-N -1 1 344.333 2.048 20 0 EEADMM O=C(c1nsc2ccccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000908010481 785018621 /nfs/dbraw/zinc/01/86/21/785018621.db2.gz BXEGGZCGEUSHSZ-UHFFFAOYSA-N -1 1 330.369 2.405 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(Cl)c(C)c1 ZINC000817933699 785078834 /nfs/dbraw/zinc/07/88/34/785078834.db2.gz PIVGTBJERWIDLU-UHFFFAOYSA-N -1 1 344.776 2.316 20 0 EEADMM CN(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000908589215 785570847 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CN(Cc1cc2ccccc2o1)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908832880 785779175 /nfs/dbraw/zinc/77/91/75/785779175.db2.gz SQMWEFIBARZHPZ-AWEZNQCLSA-N -1 1 330.384 2.188 20 0 EEADMM Cc1ccccc1COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000170915374 791143709 /nfs/dbraw/zinc/14/37/09/791143709.db2.gz WBBPGIKLMISQFL-UHFFFAOYSA-N -1 1 325.368 2.234 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCC[C@H]2CCCCO2)c1 ZINC000820588043 785987526 /nfs/dbraw/zinc/98/75/26/785987526.db2.gz MDPRMIMWDBBIHV-MCMMXHMISA-N -1 1 326.414 2.305 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCC[C@H]2CCCO2)c1 ZINC000820617662 785992050 /nfs/dbraw/zinc/99/20/50/785992050.db2.gz ZGLRSXRCZFYZPB-MCMMXHMISA-N -1 1 326.414 2.305 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1[nH]nc2c1CCCCC2)c1ccccc1 ZINC000909293952 786147120 /nfs/dbraw/zinc/14/71/20/786147120.db2.gz NOCIRCIVOFUAEJ-AWEZNQCLSA-N -1 1 327.384 2.277 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000909735248 786208561 /nfs/dbraw/zinc/20/85/61/786208561.db2.gz 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O=C1CCCN1c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000823530276 787787520 /nfs/dbraw/zinc/78/75/20/787787520.db2.gz HLFGFNDZPYMECP-UHFFFAOYSA-N -1 1 342.334 2.338 20 0 EEADMM O=C1CCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000823530276 787787524 /nfs/dbraw/zinc/78/75/24/787787524.db2.gz HLFGFNDZPYMECP-UHFFFAOYSA-N -1 1 342.334 2.338 20 0 EEADMM C[C@H](CNc1ncnc2c(F)cccc12)NC(=O)c1ncccc1[O-] ZINC001107690006 788069516 /nfs/dbraw/zinc/06/95/16/788069516.db2.gz GQBDHLSUERUTMZ-SNVBAGLBSA-N -1 1 341.346 2.100 20 0 EEADMM CC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(F)c1 ZINC000825121507 788446188 /nfs/dbraw/zinc/44/61/88/788446188.db2.gz SGTRWMORAOREFP-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(F)c1 ZINC000825121507 788446193 /nfs/dbraw/zinc/44/61/93/788446193.db2.gz SGTRWMORAOREFP-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2Cc1ccc2cc[nH]c2c1 ZINC001032368732 788502064 /nfs/dbraw/zinc/50/20/64/788502064.db2.gz 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EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cscn1 ZINC000806016512 790056374 /nfs/dbraw/zinc/05/63/74/790056374.db2.gz FXNAJGPUCFOVMX-UHFFFAOYSA-N -1 1 342.380 2.409 20 0 EEADMM O=C(COC(=O)c1cc2c(cccc2F)[nH]1)[N-]C(=O)c1ccccc1 ZINC000046441326 790057623 /nfs/dbraw/zinc/05/76/23/790057623.db2.gz RKUOFXMLUHELIL-UHFFFAOYSA-N -1 1 340.310 2.420 20 0 EEADMM Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])o1 ZINC000946198251 790064969 /nfs/dbraw/zinc/06/49/69/790064969.db2.gz ZPWDMNLBZQFHAD-OLZOCXBDSA-N -1 1 343.383 2.017 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1C1CC1 ZINC000846290674 790114626 /nfs/dbraw/zinc/11/46/26/790114626.db2.gz LBZNHKCGZQIYBW-QWHCGFSZSA-N -1 1 325.206 2.387 20 0 EEADMM CC(C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-])=C1CCC1 ZINC000946208911 790142766 /nfs/dbraw/zinc/14/27/66/790142766.db2.gz NLGJSMBZNXGBKM-LSDHHAIUSA-N -1 1 343.427 2.302 20 0 EEADMM CC(C)c1nsc(NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821537 806044482 /nfs/dbraw/zinc/04/44/82/806044482.db2.gz IYDHALRUEZQTCT-LLVKDONJSA-N -1 1 347.444 2.383 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946384451 791457419 /nfs/dbraw/zinc/45/74/19/791457419.db2.gz REVSZYCPZKZWNT-CABCVRRESA-N -1 1 343.427 2.302 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CCNc1ncccn1 ZINC001063832272 791802002 /nfs/dbraw/zinc/80/20/02/791802002.db2.gz FHXZZMLBPMMEPF-CYBMUJFWSA-N -1 1 327.388 2.074 20 0 EEADMM Cc1cc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001063936721 791996710 /nfs/dbraw/zinc/99/67/10/791996710.db2.gz FTPOAUREFLZKHT-TZMCWYRMSA-N -1 1 341.415 2.238 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1ncc(F)cn1 ZINC001063939777 792006410 /nfs/dbraw/zinc/00/64/10/792006410.db2.gz ZIKZURSWRUFQPK-DGCLKSJQSA-N -1 1 345.378 2.069 20 0 EEADMM O=C([N-]c1cnoc1)c1c(I)ccnc1F ZINC001148093765 792143061 /nfs/dbraw/zinc/14/30/61/792143061.db2.gz MTHFDNFYDUXGRG-UHFFFAOYSA-N -1 1 333.060 2.066 20 0 EEADMM O=C(NC1CC(CNC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000991972936 792176088 /nfs/dbraw/zinc/17/60/88/792176088.db2.gz KOQPZBMXXKPELM-UHFFFAOYSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NC1(CO)CCOCC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870028 792756968 /nfs/dbraw/zinc/75/69/68/792756968.db2.gz ORLLDHBMFYZEFK-UHFFFAOYSA-N -1 1 327.380 2.331 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCC[C@H](CCO)C1 ZINC001148988758 792845884 /nfs/dbraw/zinc/84/58/84/792845884.db2.gz HDHPMNAYPPNIOT-SECBINFHSA-N -1 1 344.205 2.095 20 0 EEADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421812 793059496 /nfs/dbraw/zinc/05/94/96/793059496.db2.gz VWDUUQFPHSQQLR-UGSOOPFHSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421310 793123290 /nfs/dbraw/zinc/12/32/90/793123290.db2.gz YUWYTSPBHKIGIN-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM O=C([N-]CCCSc1nccn1Cc1ccccn1)C(F)(F)F ZINC000151782917 794174093 /nfs/dbraw/zinc/17/40/93/794174093.db2.gz OCERZTLEMXWWDZ-UHFFFAOYSA-N -1 1 344.362 2.487 20 0 EEADMM O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743075 794205381 /nfs/dbraw/zinc/20/53/81/794205381.db2.gz DLENZMWZOABABR-QWRGUYRKSA-N -1 1 331.342 2.274 20 0 EEADMM COc1cc(F)c(C(=O)N2CCC(c3nn[n-]n3)CC2)c(Cl)c1 ZINC000913747268 794224023 /nfs/dbraw/zinc/22/40/23/794224023.db2.gz VPGCRUBXIOKTPQ-UHFFFAOYSA-N -1 1 339.758 2.021 20 0 EEADMM C[C@@H]1CN(C/C(Cl)=C/Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611111 794989802 /nfs/dbraw/zinc/98/98/02/794989802.db2.gz OADYTSZNKUPWRY-XTDRBSRISA-N -1 1 330.215 2.156 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)[C@H]1CCC[C@H](F)C1 ZINC000946533295 795527421 /nfs/dbraw/zinc/52/74/21/795527421.db2.gz QJMVDSFRATWREZ-STQMWFEESA-N -1 1 349.406 2.036 20 0 EEADMM Cc1sccc1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946533282 795528027 /nfs/dbraw/zinc/52/80/27/795528027.db2.gz PWGUUSRRUPUYPD-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080362317 795892984 /nfs/dbraw/zinc/89/29/84/795892984.db2.gz RGTURCALKRTIEH-OLZOCXBDSA-N -1 1 333.432 2.142 20 0 EEADMM Cc1ncc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)s1 ZINC000993235869 796154741 /nfs/dbraw/zinc/15/47/41/796154741.db2.gz AHGMWZTXTGTFJV-SMDDNHRTSA-N -1 1 346.456 2.335 20 0 EEADMM CS(=O)(=O)c1ccc([O-])c(NC2=CCC3(CC2)OCCO3)c1 ZINC001174644356 797817298 /nfs/dbraw/zinc/81/72/98/797817298.db2.gz XEZQHHSSZPENCZ-UHFFFAOYSA-N -1 1 325.386 2.019 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cc(F)cc(OC)c2)no1 ZINC001212768247 798018475 /nfs/dbraw/zinc/01/84/75/798018475.db2.gz VWIUOGNZRWYUJG-UHFFFAOYSA-N -1 1 332.291 2.451 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)nc2)CC1 ZINC001175216016 798033881 /nfs/dbraw/zinc/03/38/81/798033881.db2.gz XFTIEMBSFWCRFM-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM O=C(CCC1CC1)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060697552 798245537 /nfs/dbraw/zinc/24/55/37/798245537.db2.gz DPMQTIXRSYRNNZ-SHTZXODSSA-N -1 1 345.443 2.382 20 0 EEADMM C/C=C(/C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060705923 798411654 /nfs/dbraw/zinc/41/16/54/798411654.db2.gz OLJSNZBRRDNTOI-JYJMHIETSA-N -1 1 331.416 2.158 20 0 EEADMM CN(C[C@](C)(O)c1ccccc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000823641998 798755453 /nfs/dbraw/zinc/75/54/53/798755453.db2.gz PFUJGTLKLSOFJE-SFHVURJKSA-N -1 1 327.384 2.039 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(c2ncnc3ccccc32)C1 ZINC001065244848 798818928 /nfs/dbraw/zinc/81/89/28/798818928.db2.gz FGLJZNNOYMMPQH-LJQANCHMSA-N -1 1 349.394 2.129 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2cccc(C)c2)c1[O-] ZINC001085544765 800742948 /nfs/dbraw/zinc/74/29/48/800742948.db2.gz XBFXGKJJNQLVDL-OAHLLOKOSA-N -1 1 328.416 2.079 20 0 EEADMM CN(C[C@H]1CCN1Cc1cccc(Cl)n1)C(=O)c1ncccc1[O-] ZINC001085562130 800787395 /nfs/dbraw/zinc/78/73/95/800787395.db2.gz DROXFRICJIOVTL-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001004021741 800816900 /nfs/dbraw/zinc/81/69/00/800816900.db2.gz CSCNRXPEDGSDPU-LSDHHAIUSA-N -1 1 345.443 2.192 20 0 EEADMM COc1cc(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)ccc1C ZINC001182301710 801104160 /nfs/dbraw/zinc/10/41/60/801104160.db2.gz PCZCSZOZJUQLQJ-UHFFFAOYSA-N -1 1 345.359 2.144 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H](CCNc2cncc(Cl)n2)C1 ZINC001066306997 801178407 /nfs/dbraw/zinc/17/84/07/801178407.db2.gz AQMUBZDSATYOQC-LLVKDONJSA-N -1 1 347.806 2.195 20 0 EEADMM Cc1cnc(C)nc1NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001066307936 801192542 /nfs/dbraw/zinc/19/25/42/801192542.db2.gz OMXJPEXWEABZQS-CQSZACIVSA-N -1 1 341.415 2.158 20 0 EEADMM CC(C)(Oc1ccc(O)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001183598378 801665196 /nfs/dbraw/zinc/66/51/96/801665196.db2.gz FZDWLRLAKPDTQV-UHFFFAOYSA-N -1 1 330.266 2.325 20 0 EEADMM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1COC[C@@H]1F ZINC001184539013 802058738 /nfs/dbraw/zinc/05/87/38/802058738.db2.gz OBIWYUWOELPETB-QWRGUYRKSA-N -1 1 328.192 2.150 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2O)cc1C(=O)[O-] ZINC001184698440 802133395 /nfs/dbraw/zinc/13/33/95/802133395.db2.gz GTDWMKFNIXEZJD-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM Cc1c(Cl)cc(NC(=O)[C@H]2CN(C)CCN2C)c([O-])c1Cl ZINC001185255348 802422665 /nfs/dbraw/zinc/42/26/65/802422665.db2.gz MAVXYYPPDCTRRJ-LLVKDONJSA-N -1 1 332.231 2.192 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cc(C)cc(F)n2)cc1C(=O)[O-] ZINC001185278690 802434446 /nfs/dbraw/zinc/43/44/46/802434446.db2.gz QMBGPSDZCHRXKQ-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM Cc1nc(COC(=O)c2sccc2[N-]S(C)(=O)=O)oc1C ZINC000140734610 802640861 /nfs/dbraw/zinc/64/08/61/802640861.db2.gz OMOKHUFJUGAHIC-UHFFFAOYSA-N -1 1 330.387 2.081 20 0 EEADMM C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004748421 802743677 /nfs/dbraw/zinc/74/36/77/802743677.db2.gz FZIIPBDCQWFZCZ-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CNc1ncnc2c(F)cccc12)NC(=O)c1ncccc1[O-] ZINC001108323024 803311268 /nfs/dbraw/zinc/31/12/68/803311268.db2.gz GQBDHLSUERUTMZ-JTQLQIEISA-N -1 1 341.346 2.100 20 0 EEADMM Cc1csc2ncnc(NC[C@H](C)NC(=O)c3ncccc3[O-])c12 ZINC001108322804 803311572 /nfs/dbraw/zinc/31/15/72/803311572.db2.gz CAJCOIHJYOVJBV-JTQLQIEISA-N -1 1 343.412 2.331 20 0 EEADMM Cc1cnc2c(c1)N(C(=O)c1nc[n-]c1C(=O)c1ccccc1)CCN2 ZINC001169989137 805144655 /nfs/dbraw/zinc/14/46/55/805144655.db2.gz COOTWUJNCJEOCQ-UHFFFAOYSA-N -1 1 347.378 2.416 20 0 EEADMM CN(Cc1ncnn1CC(F)F)C(=O)c1c([O-])cccc1Cl ZINC000787856444 807287942 /nfs/dbraw/zinc/28/79/42/807287942.db2.gz MCOPRGQSUHMHBH-UHFFFAOYSA-N -1 1 330.722 2.174 20 0 EEADMM CC(C)(O)CO[N-]C(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000788219578 807439584 /nfs/dbraw/zinc/43/95/84/807439584.db2.gz AJSZVKGCYTUQCR-AWEZNQCLSA-N -1 1 342.395 2.011 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccnn1CC(F)F ZINC000790045948 808342952 /nfs/dbraw/zinc/34/29/52/808342952.db2.gz BMIFLYLJMNNCIY-UHFFFAOYSA-N -1 1 347.119 2.264 20 0 EEADMM C[C@H]1C(=O)Nc2cc(C(=O)Nc3nc(Cl)ccc3[O-])ccc2N1C ZINC000790047188 808375730 /nfs/dbraw/zinc/37/57/30/808375730.db2.gz GQCKZICFNISNNT-QMMMGPOBSA-N -1 1 346.774 2.470 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000790056916 808384314 /nfs/dbraw/zinc/38/43/14/808384314.db2.gz PZVGTDAZIDQFQA-SNVBAGLBSA-N -1 1 331.759 2.432 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)[C@H]3C[C@@H]3c3cccc(F)c3F)ccnc1-2 ZINC000791167396 809101309 /nfs/dbraw/zinc/10/13/09/809101309.db2.gz OZYXXQMYSGKFTH-MNOVXSKESA-N -1 1 328.322 2.362 20 0 EEADMM Cc1cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)nn1-c1ccc(C)cc1 ZINC000791284773 809171989 /nfs/dbraw/zinc/17/19/89/809171989.db2.gz FBFBCFDBKHXZSA-UHFFFAOYSA-N -1 1 346.394 2.397 20 0 EEADMM Cc1c(Cl)nc(C2CC2)nc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170218519 809820184 /nfs/dbraw/zinc/82/01/84/809820184.db2.gz XOYBLFVSRBLTRY-UHFFFAOYSA-N -1 1 333.739 2.089 20 0 EEADMM COC(=O)c1cc2c(cncc2Nc2[n-]c(=O)nc3nc[nH]c32)s1 ZINC001170233353 809833299 /nfs/dbraw/zinc/83/32/99/809833299.db2.gz PBTDMPBOMHTOPO-UHFFFAOYSA-N -1 1 342.340 2.198 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ncc3c(n2)-c2ccccc2OC3)[n-]1 ZINC001170226756 809844818 /nfs/dbraw/zinc/84/48/18/809844818.db2.gz SWHUKIBIHFGRMN-UHFFFAOYSA-N -1 1 333.311 2.152 20 0 EEADMM O=C(NC1CCC(C(=O)Nc2nc(Cl)ccc2[O-])CC1)C1CC1 ZINC000793940491 810614364 /nfs/dbraw/zinc/61/43/64/810614364.db2.gz GMYMPJFZPCYGNK-UHFFFAOYSA-N -1 1 337.807 2.464 20 0 EEADMM CCCC[C@H](CNc1ccnc(C)n1)NC(=O)c1ncccc1[O-] ZINC001114241047 810663203 /nfs/dbraw/zinc/66/32/03/810663203.db2.gz LJJNALPFIIMCCL-CYBMUJFWSA-N -1 1 329.404 2.286 20 0 EEADMM CC[C@@H](C)OCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806015737 811706840 /nfs/dbraw/zinc/70/68/40/811706840.db2.gz ARQBXDBJQRXGQO-GFCCVEGCSA-N -1 1 345.399 2.453 20 0 EEADMM CO[C@@H](C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O)C1CC1 ZINC000806018548 811708737 /nfs/dbraw/zinc/70/87/37/811708737.db2.gz XTZDVLRGCJPPRC-OAHLLOKOSA-N -1 1 343.383 2.063 20 0 EEADMM Cc1cccc(OCCCNC(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000806480186 811891655 /nfs/dbraw/zinc/89/16/55/811891655.db2.gz GFQSTMZSHDCIHW-UHFFFAOYSA-N -1 1 339.399 2.241 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)ccnc1-2 ZINC000806488062 811897886 /nfs/dbraw/zinc/89/78/86/811897886.db2.gz JNKUBOAZZGSIGJ-IUODEOHRSA-N -1 1 345.447 2.305 20 0 EEADMM CCN1CCN(c2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2F)CC1 ZINC000902547456 939287016 /nfs/dbraw/zinc/28/70/16/939287016.db2.gz QNEPLOWBRZCKGQ-MRXNPFEDSA-N -1 1 349.406 2.017 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2cc(OC)ccc2C(=O)[O-])CC1 ZINC000325421707 971215053 /nfs/dbraw/zinc/21/50/53/971215053.db2.gz OEEHSZTYLAFLHD-GFCCVEGCSA-N -1 1 335.404 2.341 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CC1 ZINC000326897052 971342189 /nfs/dbraw/zinc/34/21/89/971342189.db2.gz IEPSGEIBJYFSKQ-GFCCVEGCSA-N -1 1 335.404 2.341 20 0 EEADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC001573604991 947521234 /nfs/dbraw/zinc/52/12/34/947521234.db2.gz RVGRZPHMDURRFO-JTQLQIEISA-N -1 1 326.335 2.167 20 0 EEADMM 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Cc1cnccc1CC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000167729348 539544206 /nfs/dbraw/zinc/54/42/06/539544206.db2.gz XNLXBQKRTRWPGA-UHFFFAOYSA-N -1 1 330.331 2.328 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc(-c2ccco2)n[nH]1 ZINC000066638325 215062964 /nfs/dbraw/zinc/06/29/64/215062964.db2.gz JDAAPLAJJZVIKR-UHFFFAOYSA-N -1 1 330.373 2.189 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)c2[nH]nc3c2CCCC3)C(=O)[O-])c1 ZINC000237685124 539661822 /nfs/dbraw/zinc/66/18/22/539661822.db2.gz BIBLMIGWHGFBDY-AWEZNQCLSA-N -1 1 341.411 2.270 20 0 EEADMM O=S(=O)([N-]CC1(CO)CCCCC1)c1ccc(F)c(F)c1F ZINC000317313182 539750646 /nfs/dbraw/zinc/75/06/46/539750646.db2.gz DFVUGMPSIJNTJD-UHFFFAOYSA-N -1 1 337.363 2.325 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103941013 219330906 /nfs/dbraw/zinc/33/09/06/219330906.db2.gz PMLDDVRUQRFMLQ-ZIBATOQPSA-N -1 1 330.432 2.123 20 0 EEADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180558119 233902978 /nfs/dbraw/zinc/90/29/78/233902978.db2.gz 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Cc1ccc(Oc2ccccc2)c(NC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000770567375 577599100 /nfs/dbraw/zinc/59/91/00/577599100.db2.gz DXWKFXUBGYPMIY-UHFFFAOYSA-N -1 1 340.339 2.376 20 0 EEADMM O=C(Oc1cccc(OS(=O)(=O)c2c[n-]cn2)c1)c1ccccc1 ZINC000759268946 577640227 /nfs/dbraw/zinc/64/02/27/577640227.db2.gz GRJBGKJYRPUKCF-UHFFFAOYSA-N -1 1 344.348 2.397 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)[C@@]12CCCO2 ZINC000760096727 577656957 /nfs/dbraw/zinc/65/69/57/577656957.db2.gz NPRIGYDERHPOOS-VFVRVIDISA-N -1 1 349.431 2.070 20 0 EEADMM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000751287662 577750257 /nfs/dbraw/zinc/75/02/57/577750257.db2.gz BHKBLQXAYQFTOP-HNNXBMFYSA-N -1 1 347.392 2.453 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCc2nc(C)no2)c1 ZINC000744728410 577902097 /nfs/dbraw/zinc/90/20/97/577902097.db2.gz SIYNAUFUEGOGIX-UHFFFAOYSA-N -1 1 332.356 2.395 20 0 EEADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000746130653 577922882 /nfs/dbraw/zinc/92/28/82/577922882.db2.gz WCEPDRKIMXCEDR-UHFFFAOYSA-N -1 1 331.225 2.492 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000739277689 578046674 /nfs/dbraw/zinc/04/66/74/578046674.db2.gz GGJOTPQBPZSJJW-SJORKVTESA-N -1 1 342.439 2.367 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)c2ccccc2O1 ZINC000739614462 578060948 /nfs/dbraw/zinc/06/09/48/578060948.db2.gz OWBAEKNFTSDSQS-HNNXBMFYSA-N -1 1 339.307 2.162 20 0 EEADMM O=C([O-])c1cccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000740214849 578085966 /nfs/dbraw/zinc/08/59/66/578085966.db2.gz NBSIWQRYJVOXJX-UHFFFAOYSA-N -1 1 330.731 2.240 20 0 EEADMM Brc1ccc(/C=C/CCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000735368901 578149846 /nfs/dbraw/zinc/14/98/46/578149846.db2.gz OXRUKPWUVGSPRT-HNQUOIGGSA-N -1 1 346.192 2.324 20 0 EEADMM CC(C)(C)C[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735602913 578161170 /nfs/dbraw/zinc/16/11/70/578161170.db2.gz IHFPDKLYGPKURJ-JTQLQIEISA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)(C)C[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735602913 578161171 /nfs/dbraw/zinc/16/11/71/578161171.db2.gz IHFPDKLYGPKURJ-JTQLQIEISA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)c1nc([C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)no1 ZINC000735939014 578173276 /nfs/dbraw/zinc/17/32/76/578173276.db2.gz HEVXDSCPNXOKMI-NSHDSACASA-N -1 1 340.391 2.152 20 0 EEADMM CC(C)c1nc([C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)no1 ZINC000735939014 578173277 /nfs/dbraw/zinc/17/32/77/578173277.db2.gz HEVXDSCPNXOKMI-NSHDSACASA-N -1 1 340.391 2.152 20 0 EEADMM CC(C)n1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000735966862 578175640 /nfs/dbraw/zinc/17/56/40/578175640.db2.gz YNBXQPDCFSZQKT-UHFFFAOYSA-N -1 1 335.371 2.007 20 0 EEADMM C[C@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290913 578193679 /nfs/dbraw/zinc/19/36/79/578193679.db2.gz KRSLITNEHQQGFO-YVEFUNNKSA-N -1 1 348.410 2.012 20 0 EEADMM C[C@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290913 578193680 /nfs/dbraw/zinc/19/36/80/578193680.db2.gz KRSLITNEHQQGFO-YVEFUNNKSA-N -1 1 348.410 2.012 20 0 EEADMM CC(C)[C@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N1CCCC1 ZINC000736350011 578198292 /nfs/dbraw/zinc/19/82/92/578198292.db2.gz SVZYRMGJNGQZIR-OAHLLOKOSA-N -1 1 345.399 2.196 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000736366103 578199189 /nfs/dbraw/zinc/19/91/89/578199189.db2.gz ZJACBJGMURLCMJ-NSHDSACASA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000736366103 578199190 /nfs/dbraw/zinc/19/91/90/578199190.db2.gz ZJACBJGMURLCMJ-NSHDSACASA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408127 578201955 /nfs/dbraw/zinc/20/19/55/578201955.db2.gz BUUSKPPAWRZKHM-CYBMUJFWSA-N -1 1 340.412 2.473 20 0 EEADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408127 578201956 /nfs/dbraw/zinc/20/19/56/578201956.db2.gz BUUSKPPAWRZKHM-CYBMUJFWSA-N -1 1 340.412 2.473 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000736412094 578202455 /nfs/dbraw/zinc/20/24/55/578202455.db2.gz LKEWPOVCOWWAFK-XIRDDKMYSA-N -1 1 332.444 2.480 20 0 EEADMM CCOC(=O)CCCCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000736592308 578213483 /nfs/dbraw/zinc/21/34/83/578213483.db2.gz NSSZYNHXLRERAS-UHFFFAOYSA-N -1 1 338.389 2.209 20 0 EEADMM CN(CC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736787554 578223557 /nfs/dbraw/zinc/22/35/57/578223557.db2.gz CMHYHSJTJWQCDT-UHFFFAOYSA-N -1 1 343.840 2.187 20 0 EEADMM CN(CC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736787554 578223558 /nfs/dbraw/zinc/22/35/58/578223558.db2.gz CMHYHSJTJWQCDT-UHFFFAOYSA-N -1 1 343.840 2.187 20 0 EEADMM CCC[C@@](C)(NCC(=O)Nc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000736963668 578231525 /nfs/dbraw/zinc/23/15/25/578231525.db2.gz KPISKWLHDSYUDA-OAHLLOKOSA-N -1 1 330.331 2.460 20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737023685 578233617 /nfs/dbraw/zinc/23/36/17/578233617.db2.gz AEMZQXIUGQWDIS-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737023685 578233618 /nfs/dbraw/zinc/23/36/18/578233618.db2.gz AEMZQXIUGQWDIS-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM CCN(CC)[C@H](CNC(=O)CCNC(=O)[O-])c1ccccc1Cl ZINC000737085641 578237241 /nfs/dbraw/zinc/23/72/41/578237241.db2.gz OXZPDLNCSRPPAU-CQSZACIVSA-N -1 1 341.839 2.497 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC2OCCO2)n1 ZINC000737246273 578245748 /nfs/dbraw/zinc/24/57/48/578245748.db2.gz ROJFMKNJTNBMQM-UHFFFAOYSA-N -1 1 347.322 2.054 20 0 EEADMM CCc1cc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])[nH]n1 ZINC000737255141 578246400 /nfs/dbraw/zinc/24/64/00/578246400.db2.gz WKCRQXZRRCTWHG-JTQLQIEISA-N -1 1 333.413 2.467 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000737358275 578252460 /nfs/dbraw/zinc/25/24/60/578252460.db2.gz KITKENIVMHLTJO-ZWKOTPCHSA-N -1 1 340.423 2.144 20 0 EEADMM Cc1noc(C)c1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737536562 578262946 /nfs/dbraw/zinc/26/29/46/578262946.db2.gz JSYTZEYESGOLIG-UHFFFAOYSA-N -1 1 336.359 2.069 20 0 EEADMM Cc1noc(C)c1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737536562 578262947 /nfs/dbraw/zinc/26/29/47/578262947.db2.gz JSYTZEYESGOLIG-UHFFFAOYSA-N -1 1 336.359 2.069 20 0 EEADMM Oc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823733053 607329000 /nfs/dbraw/zinc/32/90/00/607329000.db2.gz SNIRADSAOLWBBE-UHFFFAOYSA-N -1 1 328.763 2.183 20 0 EEADMM Oc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823733053 607329001 /nfs/dbraw/zinc/32/90/01/607329001.db2.gz SNIRADSAOLWBBE-UHFFFAOYSA-N -1 1 328.763 2.183 20 0 EEADMM COc1ccccc1-c1n[nH]c(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820870966 598140205 /nfs/dbraw/zinc/14/02/05/598140205.db2.gz JVUSLXYNKMRCHT-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM O=C([O-])c1cccc(CNCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000821552747 598204944 /nfs/dbraw/zinc/20/49/44/598204944.db2.gz QIZSJYHIALIXNY-UHFFFAOYSA-N -1 1 337.372 2.087 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC000826779869 600774759 /nfs/dbraw/zinc/77/47/59/600774759.db2.gz OEZKMISBHOADCC-JTQLQIEISA-N -1 1 349.412 2.101 20 0 EEADMM C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000828215035 600923934 /nfs/dbraw/zinc/92/39/34/600923934.db2.gz YIEDNTBVMOVCTA-FCHSOHFDSA-N -1 1 326.343 2.080 20 0 EEADMM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000827586362 601098483 /nfs/dbraw/zinc/09/84/83/601098483.db2.gz KYWNKEBIYPXFNC-ZIAGYGMSSA-N -1 1 336.407 2.012 20 0 EEADMM CCOc1cc(C)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830043986 601129410 /nfs/dbraw/zinc/12/94/10/601129410.db2.gz FQYRAOQEUOEJOB-AWEZNQCLSA-N -1 1 349.431 2.406 20 0 EEADMM COC(=O)c1ccc(N2CCN(C/C=C(\C)C(=O)[O-])[C@H](C)C2)cc1 ZINC000831391453 601161956 /nfs/dbraw/zinc/16/19/56/601161956.db2.gz ZGDIDQNJTBLANY-MAUPQMMJSA-N -1 1 332.400 2.015 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000825793734 601288451 /nfs/dbraw/zinc/28/84/51/601288451.db2.gz YUJWBPREMAVXFK-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM O=C([O-])Nc1ccc(NC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000833286240 601311116 /nfs/dbraw/zinc/31/11/16/601311116.db2.gz PMOXRZHJYKZJGO-UHFFFAOYSA-N -1 1 348.403 2.105 20 0 EEADMM CC[C@@](C)(CC(=O)[O-])NCc1csc(N(C(C)=O)C2CC2)n1 ZINC000828671714 601433031 /nfs/dbraw/zinc/43/30/31/601433031.db2.gz FXAFKLQWUBJDCW-HNNXBMFYSA-N -1 1 325.434 2.391 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2coc3cc(F)ccc23)CC1 ZINC000827368921 601442407 /nfs/dbraw/zinc/44/24/07/601442407.db2.gz KREOOLDTLYBUGS-GFCCVEGCSA-N -1 1 348.374 2.122 20 0 EEADMM CCOc1ccc(-c2noc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)n2)cc1 ZINC000830054031 601535370 /nfs/dbraw/zinc/53/53/70/601535370.db2.gz JGWHRAQBNAXBNH-SMDDNHRTSA-N -1 1 331.372 2.288 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000831527289 601539109 /nfs/dbraw/zinc/53/91/09/601539109.db2.gz VBEZQYWUQDKQSY-KBXCAEBGSA-N -1 1 334.416 2.459 20 0 EEADMM COc1ccccc1[C@@H](C)[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826218646 607530432 /nfs/dbraw/zinc/53/04/32/607530432.db2.gz HVSWIUKGNXUWTO-YDGUKXNOSA-N -1 1 343.412 2.280 20 0 EEADMM COc1ccccc1[C@@H](C)[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826218646 607530433 /nfs/dbraw/zinc/53/04/33/607530433.db2.gz HVSWIUKGNXUWTO-YDGUKXNOSA-N -1 1 343.412 2.280 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027385 601935182 /nfs/dbraw/zinc/93/51/82/601935182.db2.gz WHNANVUZUZSHRW-MGPLVRAMSA-N -1 1 333.413 2.420 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826020780 601950381 /nfs/dbraw/zinc/95/03/81/601950381.db2.gz ITBFJSKWQIOOJX-QLJPJBMISA-N -1 1 342.342 2.412 20 0 EEADMM C[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1nnc[nH]1 ZINC000827695393 602023009 /nfs/dbraw/zinc/02/30/09/602023009.db2.gz RHIYFENFHAOZFL-LURJTMIESA-N -1 1 343.265 2.404 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832970034 602030519 /nfs/dbraw/zinc/03/05/19/602030519.db2.gz SDSLYPYGVBDSML-LSDHHAIUSA-N -1 1 341.411 2.198 20 0 EEADMM CC(=O)Nc1c(C)ccc(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000823995020 607548303 /nfs/dbraw/zinc/54/83/03/607548303.db2.gz XGJBXRYVNDBDEY-UHFFFAOYSA-N -1 1 337.387 2.449 20 0 EEADMM CC(=O)Nc1c(C)ccc(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000823995020 607548306 /nfs/dbraw/zinc/54/83/06/607548306.db2.gz XGJBXRYVNDBDEY-UHFFFAOYSA-N -1 1 337.387 2.449 20 0 EEADMM CN1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830941231 602261034 /nfs/dbraw/zinc/26/10/34/602261034.db2.gz UZUNTBKSDLXMNJ-OAHLLOKOSA-N -1 1 328.368 2.336 20 0 EEADMM C[C@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C[C@H]1n1ccnc1 ZINC000828296428 602305024 /nfs/dbraw/zinc/30/50/24/602305024.db2.gz YEDFFZVJEXLCRX-XJKSGUPXSA-N -1 1 339.399 2.472 20 0 EEADMM COc1ccc(CNC2CN(C(=O)[O-])C2)cc1OCc1cccnc1 ZINC000829389234 604419732 /nfs/dbraw/zinc/41/97/32/604419732.db2.gz JDXLRJXFVQRWAG-UHFFFAOYSA-N -1 1 343.383 2.121 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000833209551 604478642 /nfs/dbraw/zinc/47/86/42/604478642.db2.gz FINGJWQJNZJXNP-UONOGXRCSA-N -1 1 335.404 2.065 20 0 EEADMM CCN(CC)c1ncc(CN(CC(=O)[O-])C2CCOCC2)s1 ZINC000833654352 604672438 /nfs/dbraw/zinc/67/24/38/604672438.db2.gz MAPSOWVXEBJAAY-UHFFFAOYSA-N -1 1 327.450 2.055 20 0 EEADMM C[C@@H]1CN(c2cccc(C(=O)[O-])n2)CCN1C[C@@H](O)c1ccccc1 ZINC000833634319 604713458 /nfs/dbraw/zinc/71/34/58/604713458.db2.gz GJZZSHZNDHZPCK-RHSMWYFYSA-N -1 1 341.411 2.024 20 0 EEADMM COC(=O)C1(O)CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000833702503 604731021 /nfs/dbraw/zinc/73/10/21/604731021.db2.gz XOCLCZSZGXBDAI-UHFFFAOYSA-N -1 1 349.408 2.099 20 0 EEADMM C[C@@H](CN(CC(=O)Nc1ccnn1C1CCCC1)C1CC1)C(=O)[O-] ZINC000827449666 604743055 /nfs/dbraw/zinc/74/30/55/604743055.db2.gz NLEXWRDSPFJEPA-LBPRGKRZSA-N -1 1 334.420 2.122 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000833420503 604868015 /nfs/dbraw/zinc/86/80/15/604868015.db2.gz SUGVPGMUHWVMBJ-ZDUSSCGKSA-N -1 1 344.415 2.296 20 0 EEADMM COc1ccccc1NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392024040 604935716 /nfs/dbraw/zinc/93/57/16/604935716.db2.gz ZZWAUXMPUBVJOO-CYBMUJFWSA-N -1 1 334.416 2.457 20 0 EEADMM CC1(C)c2ccccc2CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833563743 605020993 /nfs/dbraw/zinc/02/09/93/605020993.db2.gz MSFCZBOFIQQULN-UHFFFAOYSA-N -1 1 330.428 2.103 20 0 EEADMM C[C@@H](C(=O)[O-])[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000833407416 605023079 /nfs/dbraw/zinc/02/30/79/605023079.db2.gz NNVVQMCCSMMMCZ-ZYHUDNBSSA-N -1 1 332.322 2.107 20 0 EEADMM C[C@@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cn2)C[C@@H](C)O1 ZINC000833635703 605074703 /nfs/dbraw/zinc/07/47/03/605074703.db2.gz WFOUQKPIFAYEQM-CHWSQXEVSA-N -1 1 345.399 2.276 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(F)c1Cl ZINC000833626724 605109130 /nfs/dbraw/zinc/10/91/30/605109130.db2.gz RUJPANWJFCCPMY-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(OC2CCC2)cc1 ZINC000833626955 605109322 /nfs/dbraw/zinc/10/93/22/605109322.db2.gz SZZYUTUZBPNNJP-CQSZACIVSA-N -1 1 346.427 2.239 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1ccc(Oc2ccccc2)nn1 ZINC000833722495 605143521 /nfs/dbraw/zinc/14/35/21/605143521.db2.gz XBSJAYOGEBHHPX-KRWDZBQOSA-N -1 1 331.372 2.238 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OCC1CC1 ZINC000833623830 605158062 /nfs/dbraw/zinc/15/80/62/605158062.db2.gz GNQLSLUYIKCSKP-AWEZNQCLSA-N -1 1 346.427 2.096 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000833721703 605216724 /nfs/dbraw/zinc/21/67/24/605216724.db2.gz FFHMGLKQQBHDEQ-LLVKDONJSA-N -1 1 343.733 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCN1CCC(=O)[O-] ZINC000833624073 605250440 /nfs/dbraw/zinc/25/04/40/605250440.db2.gz SYDYTPVCYSIEQV-OAHLLOKOSA-N -1 1 341.411 2.098 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccccc2OCC2CC2)CCN1CCC(=O)[O-] ZINC000833626472 605252524 /nfs/dbraw/zinc/25/25/24/605252524.db2.gz WTCWVOFEHFIDKY-CQSZACIVSA-N -1 1 346.427 2.096 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833535381 605256267 /nfs/dbraw/zinc/25/62/67/605256267.db2.gz HZWUNAYCIXKTDP-CABCVRRESA-N -1 1 340.464 2.122 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(Cc3ccccc3C)CC2)O1 ZINC000833580655 605315913 /nfs/dbraw/zinc/31/59/13/605315913.db2.gz QNMYAWSUPLERCQ-QGZVFWFLSA-N -1 1 330.428 2.260 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(Cc3cccc(F)c3)CC2)O1 ZINC000833581606 605356216 /nfs/dbraw/zinc/35/62/16/605356216.db2.gz YGJMZTFYPHDPAR-INIZCTEOSA-N -1 1 334.391 2.091 20 0 EEADMM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC000833660883 605835137 /nfs/dbraw/zinc/83/51/37/605835137.db2.gz RKFLCDRZTVHYSC-CVEARBPZSA-N -1 1 337.391 2.276 20 0 EEADMM COC(=O)c1ccc(F)c(CN(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000833715817 605836701 /nfs/dbraw/zinc/83/67/01/605836701.db2.gz FRLAEWPMXJAJGI-AWEZNQCLSA-N -1 1 339.363 2.068 20 0 EEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000823706995 606468061 /nfs/dbraw/zinc/46/80/61/606468061.db2.gz UEDGAOYOXVGDSP-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000823706995 606468063 /nfs/dbraw/zinc/46/80/63/606468063.db2.gz UEDGAOYOXVGDSP-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM Cc1cc(OCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1C(C)C ZINC000822210512 606531825 /nfs/dbraw/zinc/53/18/25/606531825.db2.gz FSWIGWZLRPMENM-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM Cc1cc(OCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1C(C)C ZINC000822210512 606531827 /nfs/dbraw/zinc/53/18/27/606531827.db2.gz FSWIGWZLRPMENM-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM COc1ccc([C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821778184 606647993 /nfs/dbraw/zinc/64/79/93/606647993.db2.gz WHBKJRSWTBSPMN-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM COc1ccc([C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821778184 606647994 /nfs/dbraw/zinc/64/79/94/606647994.db2.gz WHBKJRSWTBSPMN-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822182853 606651046 /nfs/dbraw/zinc/65/10/46/606651046.db2.gz AVIGJJODBFBUQX-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822182853 606651047 /nfs/dbraw/zinc/65/10/47/606651047.db2.gz AVIGJJODBFBUQX-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1F ZINC000823436313 606925097 /nfs/dbraw/zinc/92/50/97/606925097.db2.gz PLWNJQICULXTOS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1F ZINC000823436313 606925099 /nfs/dbraw/zinc/92/50/99/606925099.db2.gz PLWNJQICULXTOS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ncoc1-c1ccccc1 ZINC000823383053 607105698 /nfs/dbraw/zinc/10/56/98/607105698.db2.gz KKTNFEZJKJTJMQ-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ncoc1-c1ccccc1 ZINC000823383053 607105699 /nfs/dbraw/zinc/10/56/99/607105699.db2.gz KKTNFEZJKJTJMQ-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826461885 607807297 /nfs/dbraw/zinc/80/72/97/607807297.db2.gz JAEVAEQKENSEBI-TVYUQYBPSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826461885 607807298 /nfs/dbraw/zinc/80/72/98/607807298.db2.gz JAEVAEQKENSEBI-TVYUQYBPSA-N -1 1 346.412 2.433 20 0 EEADMM Clc1ccc(N[C@@H]2CCN(c3ccccn3)C2)nc1-c1nnn[n-]1 ZINC000826352924 607811277 /nfs/dbraw/zinc/81/12/77/607811277.db2.gz TVIXTHRZBVIQLC-SNVBAGLBSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N[C@@H]2CCN(c3ccccn3)C2)nc1-c1nn[n-]n1 ZINC000826352924 607811278 /nfs/dbraw/zinc/81/12/78/607811278.db2.gz TVIXTHRZBVIQLC-SNVBAGLBSA-N -1 1 342.794 2.001 20 0 EEADMM CN(Cc1cccs1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825985879 607863526 /nfs/dbraw/zinc/86/35/26/607863526.db2.gz DSNYCWZIDRDVJU-UHFFFAOYSA-N -1 1 347.375 2.105 20 0 EEADMM CN(Cc1cccs1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825985879 607863527 /nfs/dbraw/zinc/86/35/27/607863527.db2.gz DSNYCWZIDRDVJU-UHFFFAOYSA-N -1 1 347.375 2.105 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(C)noc1C ZINC000825132578 607956654 /nfs/dbraw/zinc/95/66/54/607956654.db2.gz BDKYBBWPGKHWHR-SECBINFHSA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(C)noc1C ZINC000825132578 607956655 /nfs/dbraw/zinc/95/66/55/607956655.db2.gz BDKYBBWPGKHWHR-SECBINFHSA-N -1 1 332.389 2.414 20 0 EEADMM COc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826179916 607998780 /nfs/dbraw/zinc/99/87/80/607998780.db2.gz KRGHGYUIZFNPAZ-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM Cc1cc([C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)ccc1F ZINC000826266520 608151318 /nfs/dbraw/zinc/15/13/18/608151318.db2.gz RGDRSTFRWBUYFR-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc([C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)ccc1F ZINC000826266520 608151319 /nfs/dbraw/zinc/15/13/19/608151319.db2.gz RGDRSTFRWBUYFR-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2cn[nH]c2)c1-c1nnn[n-]1 ZINC000826353843 608189278 /nfs/dbraw/zinc/18/92/78/608189278.db2.gz GGRQICBFASZZMA-MRVPVSSYSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2cn[nH]c2)c1-c1nn[n-]n1 ZINC000826353843 608189279 /nfs/dbraw/zinc/18/92/79/608189279.db2.gz GGRQICBFASZZMA-MRVPVSSYSA-N -1 1 336.812 2.431 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1OC(F)F ZINC000824655009 608394526 /nfs/dbraw/zinc/39/45/26/608394526.db2.gz ARJZUUTUHUTOQK-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1OC(F)F ZINC000824655009 608394528 /nfs/dbraw/zinc/39/45/28/608394528.db2.gz ARJZUUTUHUTOQK-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826267774 608403338 /nfs/dbraw/zinc/40/33/38/608403338.db2.gz WEZHCUMDQDVBCQ-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826267774 608403339 /nfs/dbraw/zinc/40/33/39/608403339.db2.gz WEZHCUMDQDVBCQ-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(c2ccccc2F)CC1 ZINC000826280860 608541660 /nfs/dbraw/zinc/54/16/60/608541660.db2.gz TZVKNZDJEJISBL-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ccccc2F)CC1 ZINC000826280860 608541661 /nfs/dbraw/zinc/54/16/61/608541661.db2.gz TZVKNZDJEJISBL-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM CC1(NC(=O)c2ccc(-c3nnn[n-]3)s2)Cc2ccccc2C1 ZINC000824830378 608638415 /nfs/dbraw/zinc/63/84/15/608638415.db2.gz KJIGPGYCQBCHNM-UHFFFAOYSA-N -1 1 325.397 2.216 20 0 EEADMM CC1(NC(=O)c2ccc(-c3nn[n-]n3)s2)Cc2ccccc2C1 ZINC000824830378 608638417 /nfs/dbraw/zinc/63/84/17/608638417.db2.gz KJIGPGYCQBCHNM-UHFFFAOYSA-N -1 1 325.397 2.216 20 0 EEADMM CCc1ccc([C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000825703988 608708689 /nfs/dbraw/zinc/70/86/89/608708689.db2.gz AUJKNWDZBSSAQZ-ZDUSSCGKSA-N -1 1 329.360 2.189 20 0 EEADMM CCc1ccc([C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000825703988 608708690 /nfs/dbraw/zinc/70/86/90/608708690.db2.gz AUJKNWDZBSSAQZ-ZDUSSCGKSA-N -1 1 329.360 2.189 20 0 EEADMM COCCCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826156267 609279009 /nfs/dbraw/zinc/27/90/09/609279009.db2.gz WBROSZUNWFZONE-UHFFFAOYSA-N -1 1 331.355 2.030 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C/C=C\c3ccccc3)C2)c1[O-] ZINC000969505761 675080734 /nfs/dbraw/zinc/08/07/34/675080734.db2.gz FIGLEFJSBCFPAY-OYVUYXNMSA-N -1 1 340.427 2.187 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020795897 675501662 /nfs/dbraw/zinc/50/16/62/675501662.db2.gz IFMOBYDGVKFPKH-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCC(=O)C[C@H]2C2CC2)c(=O)[n-]1 ZINC000891776506 676825732 /nfs/dbraw/zinc/82/57/32/676825732.db2.gz INVMJYFVNGQSCN-AWEZNQCLSA-N -1 1 349.456 2.115 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3F)[C@H](C)C2)c1[O-] ZINC000947205682 679860007 /nfs/dbraw/zinc/86/00/07/679860007.db2.gz UZIULPZOJCWBEE-RISCZKNCSA-N -1 1 346.406 2.346 20 0 EEADMM CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1c([O-])cccc1Cl ZINC000924878257 681649114 /nfs/dbraw/zinc/64/91/14/681649114.db2.gz WHESOYQEYGEFAK-ZYHUDNBSSA-N -1 1 341.791 2.276 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000937216603 681696687 /nfs/dbraw/zinc/69/66/87/681696687.db2.gz HRUVTISCKJTRCB-HNNXBMFYSA-N -1 1 339.395 2.082 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639643 681783313 /nfs/dbraw/zinc/78/33/13/681783313.db2.gz XWKYFMWXOCNYJK-SECBINFHSA-N -1 1 336.465 2.292 20 0 EEADMM CC1=CC[C@](C)(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001025166929 682140871 /nfs/dbraw/zinc/14/08/71/682140871.db2.gz CNWWEMCDELCWHH-KSSFIOAISA-N -1 1 347.463 2.118 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000973197293 682294771 /nfs/dbraw/zinc/29/47/71/682294771.db2.gz BBMDVRIIFCKAHF-IHRRRGAJSA-N -1 1 343.427 2.135 20 0 EEADMM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197206 682294793 /nfs/dbraw/zinc/29/47/93/682294793.db2.gz ABAWMTREYOBYCZ-FORMXFIPSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983551631 682844242 /nfs/dbraw/zinc/84/42/42/682844242.db2.gz GUALPDRXQAMXLA-UONOGXRCSA-N -1 1 329.400 2.055 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)c1ccsc1)c1ccc(F)c(F)c1F ZINC000182466780 682880846 /nfs/dbraw/zinc/88/08/46/682880846.db2.gz QEKGDVAAXPEOQF-SECBINFHSA-N -1 1 337.344 2.177 20 0 EEADMM O=C(N[C@H]1C[C@H](Nc2nc3cc(F)ccc3o2)C1)c1ncccc1[O-] ZINC001059200815 683198298 /nfs/dbraw/zinc/19/82/98/683198298.db2.gz CPUIMYGTRIISBQ-XYPYZODXSA-N -1 1 342.330 2.440 20 0 EEADMM CN(C(=O)[C@@]1(C)C=CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984118385 684118757 /nfs/dbraw/zinc/11/87/57/684118757.db2.gz KFAMRRNVVGDTDD-LIRRHRJNSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000974055106 684265672 /nfs/dbraw/zinc/26/56/72/684265672.db2.gz ABVHVSMFQJKFIA-SDDRHHMPSA-N -1 1 345.424 2.029 20 0 EEADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974056434 684274826 /nfs/dbraw/zinc/27/48/26/684274826.db2.gz PQRJWYKOHSFVOE-IGQOVBAYSA-N -1 1 345.443 2.237 20 0 EEADMM CCCC(=O)N1CC[C@H](N(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000936395638 684411120 /nfs/dbraw/zinc/41/11/20/684411120.db2.gz UYYJGQCXBCVKDU-ZDUSSCGKSA-N -1 1 348.447 2.087 20 0 EEADMM O=C(NC[C@H]1C[C@@H](NC(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000978741138 693863982 /nfs/dbraw/zinc/86/39/82/693863982.db2.gz HUOYCEWUMBCCRD-BETUJISGSA-N -1 1 349.406 2.084 20 0 EEADMM CC1(C)CN(CC(F)(F)C(F)F)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000974489453 684976650 /nfs/dbraw/zinc/97/66/50/684976650.db2.gz LHEFUHIEIUBQIA-SNVBAGLBSA-N -1 1 349.328 2.128 20 0 EEADMM O=C(CCCC1CC1)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516661 686287322 /nfs/dbraw/zinc/28/73/22/686287322.db2.gz RBUQVWHULWMTKX-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000975227470 686320729 /nfs/dbraw/zinc/32/07/29/686320729.db2.gz SUDIDIPTKYJODN-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228311 686321650 /nfs/dbraw/zinc/32/16/50/686321650.db2.gz VHZFTLHBHLBPTI-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM CSc1ccc([N-]S(=O)(=O)N=S(C)(C)=O)cc1Cl ZINC000901635687 694063840 /nfs/dbraw/zinc/06/38/40/694063840.db2.gz LAVVAUZGPFXVGZ-UHFFFAOYSA-N -1 1 328.868 2.446 20 0 EEADMM CCC(CC)C(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC000985750368 687617728 /nfs/dbraw/zinc/61/77/28/687617728.db2.gz CVQMAOIFJXERLT-CABCVRRESA-N -1 1 345.443 2.144 20 0 EEADMM O=C(CCC1CCCCC1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990970998 694134879 /nfs/dbraw/zinc/13/48/79/694134879.db2.gz DOAPREMATIMJIA-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM C[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000985808323 687738856 /nfs/dbraw/zinc/73/88/56/687738856.db2.gz NDOCIFSIMZAAIO-ZDUSSCGKSA-N -1 1 349.479 2.150 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000985808323 687738863 /nfs/dbraw/zinc/73/88/63/687738863.db2.gz NDOCIFSIMZAAIO-ZDUSSCGKSA-N -1 1 349.479 2.150 20 0 EEADMM Cc1ccc(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)c(Cl)c1 ZINC000990978912 694139295 /nfs/dbraw/zinc/13/92/95/694139295.db2.gz QOFYBBDERZHHRS-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM Cc1nn(C)c([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1Cl ZINC000903167026 694211074 /nfs/dbraw/zinc/21/10/74/694211074.db2.gz WHGLBFIPIORKQA-UHFFFAOYSA-N -1 1 343.840 2.494 20 0 EEADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029967682 688731073 /nfs/dbraw/zinc/73/10/73/688731073.db2.gz PMXAAFBBDOLFNJ-UKRRQHHQSA-N -1 1 349.479 2.007 20 0 EEADMM Cc1c([C@@H](NCc2cccc(OC(F)F)c2)C(=O)[O-])cnn1C ZINC000904048643 694283299 /nfs/dbraw/zinc/28/32/99/694283299.db2.gz RRLKNHREUJWWPS-CYBMUJFWSA-N -1 1 325.315 2.245 20 0 EEADMM CCCN(CC(=O)[O-])Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000263393387 689768279 /nfs/dbraw/zinc/76/82/79/689768279.db2.gz FWLZVLBMIVFONZ-UHFFFAOYSA-N -1 1 326.759 2.356 20 0 EEADMM O=C([O-])c1ccc(CNCc2ccncc2OC[C@@H]2CCOC2)cc1 ZINC000263412539 689812139 /nfs/dbraw/zinc/81/21/39/689812139.db2.gz LYKYUTDWIGYNRD-OAHLLOKOSA-N -1 1 342.395 2.485 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCCC12CC2 ZINC000987687340 689931653 /nfs/dbraw/zinc/93/16/53/689931653.db2.gz HSCYQVXLBPSRQL-MCIONIFRSA-N -1 1 343.427 2.087 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)C1CCCCC1 ZINC000987931382 690179318 /nfs/dbraw/zinc/17/93/18/690179318.db2.gz PZDFKUYFUNUOIV-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CC(N[C@H](C)c1cccc2ccccc21)=C1C(=O)[N-]C(=S)NC1=O ZINC000054500873 690896443 /nfs/dbraw/zinc/89/64/43/690896443.db2.gz ULJQCEKKZBNDOO-SNVBAGLBSA-N -1 1 339.420 2.295 20 0 EEADMM CC(C)OC[C@H](CO)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897571320 691626462 /nfs/dbraw/zinc/62/64/62/691626462.db2.gz NQACITYJHRQYAQ-ZDUSSCGKSA-N -1 1 333.384 2.109 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC[S@](=O)C1 ZINC000897570709 691630602 /nfs/dbraw/zinc/63/06/02/691630602.db2.gz AABCJJUJPCZRIM-RULNZOCKSA-N -1 1 333.409 2.092 20 0 EEADMM CC(F)(F)C(=O)[N-]C1CN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC000990056613 692610682 /nfs/dbraw/zinc/61/06/82/692610682.db2.gz PIIYWVOJMRIJJH-UHFFFAOYSA-N -1 1 338.688 2.214 20 0 EEADMM Cc1cc(NC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001060021008 692812269 /nfs/dbraw/zinc/81/22/69/692812269.db2.gz HJBCMEWYNCUNAR-CQSZACIVSA-N -1 1 341.415 2.158 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC000977618875 692851672 /nfs/dbraw/zinc/85/16/72/692851672.db2.gz PJWDWCAHMMXLOO-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1conc1CN1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000990397215 692874880 /nfs/dbraw/zinc/87/48/80/692874880.db2.gz LOCBWMSUWRBEGV-CRAIPNDOSA-N -1 1 342.399 2.011 20 0 EEADMM O=C(CC1CCCC1)N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943061222 1192027990 /nfs/dbraw/zinc/02/79/90/1192027990.db2.gz QQRUPJPUYXLWDT-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC000943976149 1192733418 /nfs/dbraw/zinc/73/34/18/1192733418.db2.gz CSGCLWXTKKCDML-RBSFLKMASA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(-c2cc(=NC(=O)c3cc4c(cc3[O-])OCO4)[nH][nH]2)o1 ZINC000447801935 1192780532 /nfs/dbraw/zinc/78/05/32/1192780532.db2.gz FWFTVCOZVSUEHQ-UHFFFAOYSA-N -1 1 327.296 2.087 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c2ccc(F)cc2n1 ZINC000129485715 1177892674 /nfs/dbraw/zinc/89/26/74/1177892674.db2.gz GPQPEZZLRGTCJG-NSHDSACASA-N -1 1 340.362 2.215 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)C1(F)CCCCC1)c1ncccc1[O-] ZINC000944289391 1192994690 /nfs/dbraw/zinc/99/46/90/1192994690.db2.gz NHENABDSXOTOMP-CYBMUJFWSA-N -1 1 349.406 2.180 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)Nc1cccc(F)c1 ZINC001414199693 1181834532 /nfs/dbraw/zinc/83/45/32/1181834532.db2.gz LUBWLUPZTSKJBQ-UHFFFAOYSA-N -1 1 348.302 2.273 20 0 EEADMM CC[C@@H](C)N1CC[C@@]2(CCCN(C(=O)c3cncc([O-])c3)CC2)C1=O ZINC001271387589 1186178717 /nfs/dbraw/zinc/17/87/17/1186178717.db2.gz ZNFYMOCKXHESTR-KUHUBIRLSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)CN1CC[C@]2(CCN(C(=O)c3cc([O-])cc(F)c3)C2)C1=O ZINC001271561050 1186312415 /nfs/dbraw/zinc/31/24/15/1186312415.db2.gz FCRHDCADCYZXAH-GOSISDBHSA-N -1 1 334.391 2.252 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CCCCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001088377350 1186725298 /nfs/dbraw/zinc/72/52/98/1186725298.db2.gz HJNQWMQDFVDKNX-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076247651 1188803313 /nfs/dbraw/zinc/80/33/13/1188803313.db2.gz XWAYYNCTPMYQAE-SJCJKPOMSA-N -1 1 339.411 2.330 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001076244892 1188807378 /nfs/dbraw/zinc/80/73/78/1188807378.db2.gz FFYYPYJBFNBZAT-NSHDSACASA-N -1 1 347.802 2.379 20 0 EEADMM Cc1ccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CCCC2)o1 ZINC001409430529 1189665674 /nfs/dbraw/zinc/66/56/74/1189665674.db2.gz HRCXVYPKXGHLNY-UHFFFAOYSA-N -1 1 343.383 2.161 20 0 EEADMM C[C@@H](CC(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1)C1CC1 ZINC001409492409 1189854040 /nfs/dbraw/zinc/85/40/40/1189854040.db2.gz HOONARXDAVTERT-BUXKBTBVSA-N -1 1 345.443 2.238 20 0 EEADMM CC1(C)CCN(Cc2cn(CC(=O)[O-])nn2)C[C@H]1c1ccccc1 ZINC000905773054 1189916746 /nfs/dbraw/zinc/91/67/46/1189916746.db2.gz FQAQMJUPSZISKG-INIZCTEOSA-N -1 1 328.416 2.378 20 0 EEADMM Cc1occc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001409799480 1190631270 /nfs/dbraw/zinc/63/12/70/1190631270.db2.gz SOKOCXXMRKEVOC-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM CCCC[C@H](CNCc1cscn1)NC(=O)c1ncccc1[O-] ZINC001409824270 1190655382 /nfs/dbraw/zinc/65/53/82/1190655382.db2.gz YFZJVJJFMFIXSP-GFCCVEGCSA-N -1 1 334.445 2.322 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC2(CCC2)C1 ZINC001409882556 1190745202 /nfs/dbraw/zinc/74/52/02/1190745202.db2.gz XFPAWJIITBKSKE-AWEZNQCLSA-N -1 1 345.443 2.238 20 0 EEADMM CCCCN1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1=O ZINC001272387142 1190797403 /nfs/dbraw/zinc/79/74/03/1190797403.db2.gz WHUUUDSIIABYOF-SFHVURJKSA-N -1 1 334.391 2.396 20 0 EEADMM CCCC(=O)N1CC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)[C@@H]1C ZINC001011406864 1224171608 /nfs/dbraw/zinc/17/16/08/1224171608.db2.gz GLQIJMYDEYLPER-QWHCGFSZSA-N -1 1 348.447 2.133 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001486418975 1193931781 /nfs/dbraw/zinc/93/17/81/1193931781.db2.gz VNKMTWCZAKGBQZ-GFCCVEGCSA-N -1 1 339.484 2.203 20 0 EEADMM O=C(CC[N-]C(=O)C(F)(F)F)Cn1cc(-c2ccccc2)cn1 ZINC000865357409 1198183955 /nfs/dbraw/zinc/18/39/55/1198183955.db2.gz XJNXAIDMKUKBFF-UHFFFAOYSA-N -1 1 325.290 2.188 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)co1 ZINC001014891137 1224500079 /nfs/dbraw/zinc/50/00/79/1224500079.db2.gz AQHZHCLKNOMLAH-OCCSQVGLSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)CC(C)(C)C ZINC001014895241 1224507779 /nfs/dbraw/zinc/50/77/79/1224507779.db2.gz SQABVWTYQPMGRF-OLZOCXBDSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)c1ccccc1 ZINC001014895603 1224509372 /nfs/dbraw/zinc/50/93/72/1224509372.db2.gz UMVZVEUSHJEGGT-ZFWWWQNUSA-N -1 1 339.395 2.210 20 0 EEADMM Cn1[n-]c(COC(=O)C2(Cc3cccs3)CCCCC2)nc1=O ZINC000811399687 1200030255 /nfs/dbraw/zinc/03/02/55/1200030255.db2.gz ROTSRULCZNVRIW-UHFFFAOYSA-N -1 1 335.429 2.406 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000869401443 1200064179 /nfs/dbraw/zinc/06/41/79/1200064179.db2.gz RRFZFNHCDOCRAV-SNVBAGLBSA-N -1 1 337.338 2.384 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCC=CCC1 ZINC001011779160 1224603401 /nfs/dbraw/zinc/60/34/01/1224603401.db2.gz JMVLYONPZWCGAW-UKRRQHHQSA-N -1 1 343.427 2.253 20 0 EEADMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000811826179 1200359552 /nfs/dbraw/zinc/35/95/52/1200359552.db2.gz WVTVEXQXGRJSRR-UHFFFAOYSA-N -1 1 340.788 2.251 20 0 EEADMM Nc1nc([O-])c(CC(=O)N2CCC[C@H]2CCCc2ccccc2)s1 ZINC000122864615 1200378273 /nfs/dbraw/zinc/37/82/73/1200378273.db2.gz SUEZAQGAEWNKBW-HUUCEWRRSA-N -1 1 345.468 2.347 20 0 EEADMM CCCc1ccc(C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)s1 ZINC000870279721 1200589036 /nfs/dbraw/zinc/58/90/36/1200589036.db2.gz YPUITCAOIZWJHG-UHFFFAOYSA-N -1 1 346.412 2.140 20 0 EEADMM O=C([N-]OC/C=C\Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000812405814 1200706081 /nfs/dbraw/zinc/70/60/81/1200706081.db2.gz HWAYIIDCYUQBLM-IKHYVWBUSA-N -1 1 329.183 2.493 20 0 EEADMM Cn1[n-]c(CN2CCC[C@@]2(C)Cc2ccc(F)c(Cl)c2)nc1=O ZINC000879645995 1201192446 /nfs/dbraw/zinc/19/24/46/1201192446.db2.gz DUCRKURQGMTHAS-INIZCTEOSA-N -1 1 338.814 2.498 20 0 EEADMM CCN(c1ccc(NC(=O)Cc2sc(N)nc2[O-])cc1)C(C)C ZINC000120874243 1201407293 /nfs/dbraw/zinc/40/72/93/1201407293.db2.gz UFANZALKLUKJNV-CYBMUJFWSA-N -1 1 334.445 2.207 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000866414696 1201512433 /nfs/dbraw/zinc/51/24/33/1201512433.db2.gz SGWKTWWBLDXTTR-UHFFFAOYSA-N -1 1 338.882 2.225 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000866440908 1201518680 /nfs/dbraw/zinc/51/86/80/1201518680.db2.gz VUDVGWNWHFSZDR-AWEZNQCLSA-N -1 1 330.475 2.480 20 0 EEADMM CSc1nc(CNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc(=O)[n-]1 ZINC000880651637 1201550884 /nfs/dbraw/zinc/55/08/84/1201550884.db2.gz SNEIUTHRWROORM-NSHDSACASA-N -1 1 336.244 2.494 20 0 EEADMM C[C@H](C[N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccc(F)cc1 ZINC000866594998 1201556916 /nfs/dbraw/zinc/55/69/16/1201556916.db2.gz TYBDOTSELPNKCI-LLVKDONJSA-N -1 1 334.438 2.025 20 0 EEADMM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866720215 1201589297 /nfs/dbraw/zinc/58/92/97/1201589297.db2.gz ILIKAQVEMDAPGX-UHFFFAOYSA-N -1 1 342.367 2.280 20 0 EEADMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866821551 1201612763 /nfs/dbraw/zinc/61/27/63/1201612763.db2.gz KFSPDIVNXAERDQ-ZDUSSCGKSA-N -1 1 330.475 2.195 20 0 EEADMM O=Cc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000868015174 1201726663 /nfs/dbraw/zinc/72/66/63/1201726663.db2.gz OFPYIZGICVNRPD-UHFFFAOYSA-N -1 1 348.346 2.091 20 0 EEADMM Cc1ccc(CNC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)s1 ZINC000868062630 1201736695 /nfs/dbraw/zinc/73/66/95/1201736695.db2.gz LLEOWPWSGXJGGN-CYBMUJFWSA-N -1 1 349.378 2.409 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCC2=CCCCC2)C1 ZINC000868657945 1201853811 /nfs/dbraw/zinc/85/38/11/1201853811.db2.gz KGASQOQIGYTRDU-AWEZNQCLSA-N -1 1 333.354 2.339 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCc2cncs2)o1 ZINC000129783034 1201910142 /nfs/dbraw/zinc/91/01/42/1201910142.db2.gz FMFSLHZIYVBVFY-UHFFFAOYSA-N -1 1 344.414 2.170 20 0 EEADMM CN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)c([O-])c1 ZINC001202614965 1202190175 /nfs/dbraw/zinc/19/01/75/1202190175.db2.gz GHNILIQTAORDGP-UHFFFAOYSA-N -1 1 341.433 2.097 20 0 EEADMM Cc1ccc2nc(CNC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000887289221 1204255602 /nfs/dbraw/zinc/25/56/02/1204255602.db2.gz RMWVQVCJTGMETN-CJTUPEFNSA-N -1 1 325.368 2.010 20 0 EEADMM Cc1cc(F)ncc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001212818817 1204334899 /nfs/dbraw/zinc/33/48/99/1204334899.db2.gz QYPRNGSGPRCMFP-UHFFFAOYSA-N -1 1 325.321 2.245 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000887549576 1204338180 /nfs/dbraw/zinc/33/81/80/1204338180.db2.gz OLELYIFIPHSZTR-STQMWFEESA-N -1 1 335.448 2.459 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCC(C)(C)O1 ZINC000890131327 1204789507 /nfs/dbraw/zinc/78/95/07/1204789507.db2.gz CDKNVDGWCDRHQU-CYBMUJFWSA-N -1 1 346.431 2.058 20 0 EEADMM C[C@H]1CCN(C(=O)CCC2CC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001018537927 1224877702 /nfs/dbraw/zinc/87/77/02/1224877702.db2.gz YHMBBSUTEXMMPI-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM CCN(C(=O)C12CC(NC(=O)c3cc(F)ccc3[O-])(C1)C2)C(C)C ZINC001275361336 1205320878 /nfs/dbraw/zinc/32/08/78/1205320878.db2.gz SIJJARQBBQPLIO-UHFFFAOYSA-N -1 1 334.391 2.441 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C1=CCCCCC1 ZINC001411530158 1205403394 /nfs/dbraw/zinc/40/33/94/1205403394.db2.gz HEFAOJUPEINTBR-CYBMUJFWSA-N -1 1 331.416 2.254 20 0 EEADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001411740882 1205507612 /nfs/dbraw/zinc/50/76/12/1205507612.db2.gz IOVDTMHRLMFPGD-LLVKDONJSA-N -1 1 328.821 2.039 20 0 EEADMM CC(C)NC(=O)N1CC2(C1)CCCN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001275988770 1205620689 /nfs/dbraw/zinc/62/06/89/1205620689.db2.gz GZPXWQUGBLHLHD-UHFFFAOYSA-N -1 1 349.406 2.187 20 0 EEADMM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cccc([O-])c2F)c1 ZINC001412056256 1205638084 /nfs/dbraw/zinc/63/80/84/1205638084.db2.gz KCBXUSBOPXQUDA-UHFFFAOYSA-N -1 1 341.335 2.004 20 0 EEADMM Cc1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C2CC2)n1 ZINC001412164637 1205660842 /nfs/dbraw/zinc/66/08/42/1205660842.db2.gz TZMLZLDGSXMGQI-UHFFFAOYSA-N -1 1 325.372 2.289 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1CC(=O)NC[C@H]1c1ccccc1 ZINC001412657739 1205816154 /nfs/dbraw/zinc/81/61/54/1205816154.db2.gz KGNBICTVOOQGAB-AWEZNQCLSA-N -1 1 330.771 2.359 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1c(Cl)ccnc1Cl ZINC000778008283 1207419393 /nfs/dbraw/zinc/41/93/93/1207419393.db2.gz CIZMVHKKIBQJKX-WCBMZHEXSA-N -1 1 339.244 2.218 20 0 EEADMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778037326 1207480463 /nfs/dbraw/zinc/48/04/63/1207480463.db2.gz SVBYOEHDMMAMPL-PSASIEDQSA-N -1 1 339.244 2.482 20 0 EEADMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000047414098 1208410449 /nfs/dbraw/zinc/41/04/49/1208410449.db2.gz RJPUNRKORIJBOA-UHFFFAOYSA-N -1 1 330.309 2.126 20 0 EEADMM O=C(NC1CCN(C(=O)c2occc2Cl)CC1)c1ncccc1[O-] ZINC000948220746 1208956162 /nfs/dbraw/zinc/95/61/62/1208956162.db2.gz OPSMAOPPQRQWIO-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000948225475 1208960452 /nfs/dbraw/zinc/96/04/52/1208960452.db2.gz GUFMYVGYWXULFI-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cnc(CN2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])CC2)o1 ZINC000948320416 1209045486 /nfs/dbraw/zinc/04/54/86/1209045486.db2.gz UYJPBNAPAKZTIO-CQSZACIVSA-N -1 1 344.415 2.210 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC000949303554 1209618181 /nfs/dbraw/zinc/61/81/81/1209618181.db2.gz CJVJRORCQAGOHL-CQSZACIVSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000949537799 1209732457 /nfs/dbraw/zinc/73/24/57/1209732457.db2.gz BWFSKBQZJCLLAR-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C=Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC000949539012 1209732916 /nfs/dbraw/zinc/73/29/16/1209732916.db2.gz WDKYQPXOGADORC-HNNXBMFYSA-N -1 1 337.379 2.075 20 0 EEADMM CC1(C)CCC(C(=O)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000949541113 1209734090 /nfs/dbraw/zinc/73/40/90/1209734090.db2.gz AFESCEABOJYFQG-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)c1ccc(Cl)o1 ZINC001012298602 1225162236 /nfs/dbraw/zinc/16/22/36/1225162236.db2.gz UZTZQXOQXZQUSJ-ZJUUUORDSA-N -1 1 349.774 2.067 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(Cc2ccnc(Cl)c2)C1 ZINC000949948687 1209940758 /nfs/dbraw/zinc/94/07/58/1209940758.db2.gz VDOVVHFNCVRERX-UHFFFAOYSA-N -1 1 346.818 2.182 20 0 EEADMM CCc1ccsc1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC000950423595 1210202789 /nfs/dbraw/zinc/20/27/89/1210202789.db2.gz IPJNHCMQUGELPJ-GFCCVEGCSA-N -1 1 345.424 2.056 20 0 EEADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191827260 1210386830 /nfs/dbraw/zinc/38/68/30/1210386830.db2.gz QYDQROVNUJYYPC-KRWDZBQOSA-N -1 1 342.370 2.404 20 0 EEADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1sc(N)nc1[O-] ZINC000079627452 1210644925 /nfs/dbraw/zinc/64/49/25/1210644925.db2.gz XAWPJGBCJBVTDN-SKDRFNHKSA-N -1 1 331.397 2.265 20 0 EEADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1sc(N)nc1[O-] ZINC000080159550 1210810777 /nfs/dbraw/zinc/81/07/77/1210810777.db2.gz JJOFNODHRDVMQE-SMDDNHRTSA-N -1 1 331.441 2.161 20 0 EEADMM CC(C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001015434537 1225250070 /nfs/dbraw/zinc/25/00/70/1225250070.db2.gz UKTAHRBNXUOBII-UKRRQHHQSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(CCNC(=O)c1cccs1)Nc1nc(Cl)ccc1[O-] ZINC000194582612 1211233352 /nfs/dbraw/zinc/23/33/52/1211233352.db2.gz VNHMAVCLRRSPJW-UHFFFAOYSA-N -1 1 325.777 2.261 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CCc1cccn1C ZINC000081958537 1211282544 /nfs/dbraw/zinc/28/25/44/1211282544.db2.gz YPPWTZQVCMHBOO-LBPRGKRZSA-N -1 1 330.432 2.291 20 0 EEADMM O=C(CCC1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ncccc1[O-])CC2 ZINC000952512898 1211461317 /nfs/dbraw/zinc/46/13/17/1211461317.db2.gz WCVTUIFFZDKMTD-CABCVRRESA-N -1 1 343.427 2.183 20 0 EEADMM CC(C)[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000952806230 1211586064 /nfs/dbraw/zinc/58/60/64/1211586064.db2.gz ADADETUDMYKDSJ-SOUVJXGZSA-N -1 1 345.443 2.285 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)CC1CC1 ZINC000953520712 1211856557 /nfs/dbraw/zinc/85/65/57/1211856557.db2.gz YTIMIJXMMSLNEX-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000953536233 1211865922 /nfs/dbraw/zinc/86/59/22/1211865922.db2.gz YVFFHUNJRDHFSC-CHWSQXEVSA-N -1 1 343.383 2.193 20 0 EEADMM C[C@@H](NC(=O)C1CCC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953595801 1211906892 /nfs/dbraw/zinc/90/68/92/1211906892.db2.gz RTDYHJPWMORZNY-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1n[n-]c(=S)n1CCNC(=O)c1c[nH]nc1-c1ccccc1F ZINC000087388446 1211995777 /nfs/dbraw/zinc/99/57/77/1211995777.db2.gz VKMXZYZRFCZUTP-UHFFFAOYSA-N -1 1 346.391 2.208 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000953887947 1212189479 /nfs/dbraw/zinc/18/94/79/1212189479.db2.gz GAJPMBXRSVYNGC-CQSZACIVSA-N -1 1 343.427 2.207 20 0 EEADMM CC(C)C1(C(=O)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)CC1 ZINC000953887811 1212189558 /nfs/dbraw/zinc/18/95/58/1212189558.db2.gz DOOIJWHITZUQFC-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)C1(F)CCCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000954058404 1212399006 /nfs/dbraw/zinc/39/90/06/1212399006.db2.gz WAJAQNHSHWGITO-UHFFFAOYSA-N -1 1 349.406 2.133 20 0 EEADMM CC(C)c1ccoc1C(=O)N1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC000954127630 1212477133 /nfs/dbraw/zinc/47/71/33/1212477133.db2.gz BRAPMFMAFZAFHR-UHFFFAOYSA-N -1 1 343.383 2.100 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)s1 ZINC001012506204 1225392148 /nfs/dbraw/zinc/39/21/48/1225392148.db2.gz NHBMOWBOSJIRJF-PWSUYJOCSA-N -1 1 345.424 2.190 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC001012512457 1225398210 /nfs/dbraw/zinc/39/82/10/1225398210.db2.gz ROWCMKKICLJMKS-UKRRQHHQSA-N -1 1 339.395 2.129 20 0 EEADMM Cc1occc1C(=O)NC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956283940 1213673073 /nfs/dbraw/zinc/67/30/73/1213673073.db2.gz ANWQTTRQOBFFNT-UHFFFAOYSA-N -1 1 343.383 2.113 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(C(=O)CCC2CC2)CC1 ZINC000956342953 1213731133 /nfs/dbraw/zinc/73/11/33/1213731133.db2.gz BZIBLEYUWKLFNP-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM 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C[N@H+](CCNC(=O)c1ccccc1O)Cc1cccc2c1OCCO2 ZINC001492195023 1331081468 /nfs/dbraw/zinc/08/14/68/1331081468.db2.gz KMYVUFLYZTZHDX-UHFFFAOYSA-N -1 1 342.395 2.025 20 0 EEADMM COC[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001605059850 1351069295 /nfs/dbraw/zinc/06/92/95/1351069295.db2.gz QXVWOVJRPXDGJY-AWEZNQCLSA-N -1 1 330.779 2.137 20 0 EEADMM COC[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001605059850 1351069297 /nfs/dbraw/zinc/06/92/97/1351069297.db2.gz QXVWOVJRPXDGJY-AWEZNQCLSA-N -1 1 330.779 2.137 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C(C)C)n1 ZINC001607727503 1351547384 /nfs/dbraw/zinc/54/73/84/1351547384.db2.gz APRRWLWIYYNOMX-CQSZACIVSA-N -1 1 333.432 2.134 20 0 EEADMM O=C(Nc1ccc(-n2cncn2)cn1)c1ccc2ccc(O)cc2c1[O-] ZINC001306827441 1331489983 /nfs/dbraw/zinc/48/99/83/1331489983.db2.gz RBKQPUYBUPQKAQ-UHFFFAOYSA-N -1 1 347.334 2.479 20 0 EEADMM COc1ccccc1-c1cc(C[N-]S(=O)(=O)c2ccco2)on1 ZINC001309720434 1331640352 /nfs/dbraw/zinc/64/03/52/1331640352.db2.gz OQMADVJBXCNNDS-UHFFFAOYSA-N -1 1 334.353 2.422 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@@H](c2ccccc2F)CC1=O ZINC001608694615 1351743429 /nfs/dbraw/zinc/74/34/29/1351743429.db2.gz MQFVYXGUANZXJT-KBPBESRZSA-N -1 1 334.391 2.428 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCCN(CC(F)(F)F)CC1 ZINC001608788400 1351764143 /nfs/dbraw/zinc/76/41/43/1351764143.db2.gz OJUKTQKKKCTQHO-UHFFFAOYSA-N -1 1 330.350 2.384 20 0 EEADMM CCOc1ccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)c(C)c1 ZINC001320554161 1332908818 /nfs/dbraw/zinc/90/88/18/1332908818.db2.gz UFEZFCPGPWHUHW-UHFFFAOYSA-N -1 1 346.412 2.476 20 0 EEADMM O=S(=O)([N-]CCN1CC=CC1)c1ccc(Cl)c(F)c1Cl ZINC001320793503 1332954300 /nfs/dbraw/zinc/95/43/00/1332954300.db2.gz UVOKWSYRMWFAPD-UHFFFAOYSA-N -1 1 339.219 2.283 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001609060291 1351827877 /nfs/dbraw/zinc/82/78/77/1351827877.db2.gz HNLOLTJOFBXAPG-VURMDHGXSA-N -1 1 329.751 2.043 20 0 EEADMM CCc1ccc(-c2n[n-]c(S(=O)(=O)Cc3cccnc3)n2)cc1 ZINC001323949288 1333577626 /nfs/dbraw/zinc/57/76/26/1333577626.db2.gz SDHKNTDQTNTUOB-UHFFFAOYSA-N -1 1 328.397 2.403 20 0 EEADMM CCc1ccc(-c2nc(S(=O)(=O)Cc3cccnc3)n[n-]2)cc1 ZINC001323949288 1333577631 /nfs/dbraw/zinc/57/76/31/1333577631.db2.gz SDHKNTDQTNTUOB-UHFFFAOYSA-N -1 1 328.397 2.403 20 0 EEADMM CC1(C)CCC[C@@H]1[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609145519 1351860358 /nfs/dbraw/zinc/86/03/58/1351860358.db2.gz QHDZNOMDXSAURM-UKRRQHHQSA-N -1 1 342.447 2.134 20 0 EEADMM CC1(C)CCC[C@@H]1[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001609145519 1351860362 /nfs/dbraw/zinc/86/03/62/1351860362.db2.gz QHDZNOMDXSAURM-UKRRQHHQSA-N -1 1 342.447 2.134 20 0 EEADMM C[C@H]1COCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609177254 1351877366 /nfs/dbraw/zinc/87/73/66/1351877366.db2.gz RJEHHKIMFXPVIY-IONNQARKSA-N -1 1 328.298 2.117 20 0 EEADMM C[C@H]1COCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609177254 1351877372 /nfs/dbraw/zinc/87/73/72/1351877372.db2.gz RJEHHKIMFXPVIY-IONNQARKSA-N -1 1 328.298 2.117 20 0 EEADMM CC[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001609202149 1351888857 /nfs/dbraw/zinc/88/88/57/1351888857.db2.gz APVRFQHXEFWTMU-WCBMZHEXSA-N -1 1 342.325 2.284 20 0 EEADMM CC[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001609202149 1351888859 /nfs/dbraw/zinc/88/88/59/1351888859.db2.gz APVRFQHXEFWTMU-WCBMZHEXSA-N -1 1 342.325 2.284 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2s1 ZINC001609262782 1351914736 /nfs/dbraw/zinc/91/47/36/1351914736.db2.gz RKOUSCNQUIDGST-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2s1 ZINC001609262782 1351914737 /nfs/dbraw/zinc/91/47/37/1351914737.db2.gz RKOUSCNQUIDGST-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM COc1cc(F)cc(C[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001609345028 1351940249 /nfs/dbraw/zinc/94/02/49/1351940249.db2.gz FCJXSVUNCAMWJQ-JTQLQIEISA-N -1 1 328.351 2.453 20 0 EEADMM COc1cc(F)cc(C[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001609345028 1351940250 /nfs/dbraw/zinc/94/02/50/1351940250.db2.gz FCJXSVUNCAMWJQ-JTQLQIEISA-N -1 1 328.351 2.453 20 0 EEADMM CSCc1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)ccc1F ZINC001609371390 1351949853 /nfs/dbraw/zinc/94/98/53/1351949853.db2.gz LIICCDKAAPSZAI-UHFFFAOYSA-N -1 1 347.379 2.153 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)n2)cnn1-c1ccccc1 ZINC001609385362 1351954695 /nfs/dbraw/zinc/95/46/95/1351954695.db2.gz KUWZMTJBPDFDJB-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC001609385362 1351954696 /nfs/dbraw/zinc/95/46/96/1351954696.db2.gz KUWZMTJBPDFDJB-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3cccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001609405456 1351963541 /nfs/dbraw/zinc/96/35/41/1351963541.db2.gz LMOFXQACAUUXBK-CYBMUJFWSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3cccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001609405456 1351963542 /nfs/dbraw/zinc/96/35/42/1351963542.db2.gz LMOFXQACAUUXBK-CYBMUJFWSA-N -1 1 328.401 2.210 20 0 EEADMM CC(C)Oc1ccc(-c2nc(C(=O)N(C)c3nn[n-]n3)cs2)cc1 ZINC001331482627 1335021479 /nfs/dbraw/zinc/02/14/79/1335021479.db2.gz YQTUWJRIIKRPKX-UHFFFAOYSA-N -1 1 344.400 2.387 20 0 EEADMM Cc1cc(N[C@@H]2CCCOc3c(F)cccc32)cc(-c2nnn[n-]2)n1 ZINC001609408730 1351964809 /nfs/dbraw/zinc/96/48/09/1351964809.db2.gz JJSJUEXCPPKPSV-CQSZACIVSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cc(N[C@@H]2CCCOc3c(F)cccc32)cc(-c2nn[n-]n2)n1 ZINC001609408730 1351964811 /nfs/dbraw/zinc/96/48/11/1351964811.db2.gz JJSJUEXCPPKPSV-CQSZACIVSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1ccn(CCOc2ccc(Cl)cc2)c(=O)c1-c1nn[n-]n1 ZINC001609437616 1351976659 /nfs/dbraw/zinc/97/66/59/1351976659.db2.gz OOIGBODJZRDSKP-UHFFFAOYSA-N -1 1 331.763 2.069 20 0 EEADMM Cc1ccnc(OC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC001609439105 1351977619 /nfs/dbraw/zinc/97/76/19/1351977619.db2.gz JUYNGTSJLZASQM-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccnc(OC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC001609439105 1351977621 /nfs/dbraw/zinc/97/76/21/1351977621.db2.gz JUYNGTSJLZASQM-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CCO2 ZINC001609428951 1351973761 /nfs/dbraw/zinc/97/37/61/1351973761.db2.gz HVADIAAOSPDFLJ-UHFFFAOYSA-N -1 1 341.396 2.271 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001609428951 1351973765 /nfs/dbraw/zinc/97/37/65/1351973765.db2.gz HVADIAAOSPDFLJ-UHFFFAOYSA-N -1 1 341.396 2.271 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC001609444430 1351980514 /nfs/dbraw/zinc/98/05/14/1351980514.db2.gz CEFLGGHJNMZHEN-UHFFFAOYSA-N -1 1 337.796 2.184 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC001609468082 1351988787 /nfs/dbraw/zinc/98/87/87/1351988787.db2.gz ZYEWJMRQHHBGKJ-VIFPVBQESA-N -1 1 329.364 2.037 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC001609468082 1351988790 /nfs/dbraw/zinc/98/87/90/1351988790.db2.gz ZYEWJMRQHHBGKJ-VIFPVBQESA-N -1 1 329.364 2.037 20 0 EEADMM Clc1nsc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1-c1nnn[n-]1 ZINC001609474816 1351991565 /nfs/dbraw/zinc/99/15/65/1351991565.db2.gz VJSTUVCYWYPEKI-RNCFNFMXSA-N -1 1 338.824 2.124 20 0 EEADMM Clc1nsc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1-c1nn[n-]n1 ZINC001609474816 1351991566 /nfs/dbraw/zinc/99/15/66/1351991566.db2.gz VJSTUVCYWYPEKI-RNCFNFMXSA-N -1 1 338.824 2.124 20 0 EEADMM Fc1cc(CNc2nccnc2-c2nnn[n-]2)ccc1OC(F)F ZINC001609488884 1351995464 /nfs/dbraw/zinc/99/54/64/1351995464.db2.gz OTWHAUZSOFBONY-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(CNc2nccnc2-c2nn[n-]n2)ccc1OC(F)F ZINC001609488884 1351995467 /nfs/dbraw/zinc/99/54/67/1351995467.db2.gz OTWHAUZSOFBONY-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccc1OC(F)F ZINC001609489109 1351996329 /nfs/dbraw/zinc/99/63/29/1351996329.db2.gz UYIMGWKJLXIZGT-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccc1OC(F)F ZINC001609489109 1351996331 /nfs/dbraw/zinc/99/63/31/1351996331.db2.gz UYIMGWKJLXIZGT-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM C[C@@H](CSCCNCc1cccnc1Br)C(=O)[O-] ZINC001331846904 1335655211 /nfs/dbraw/zinc/65/52/11/1335655211.db2.gz WMXXAWYFTMBFAX-VIFPVBQESA-N -1 1 333.251 2.388 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001609581512 1352026179 /nfs/dbraw/zinc/02/61/79/1352026179.db2.gz OWLHFOALPOFWJA-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001609581512 1352026180 /nfs/dbraw/zinc/02/61/80/1352026180.db2.gz OWLHFOALPOFWJA-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1ncncc1-c1nn[n-]n1 ZINC001609618145 1352041896 /nfs/dbraw/zinc/04/18/96/1352041896.db2.gz UHKNUHBAKRZVTP-MZBDJJRSSA-N -1 1 333.399 2.262 20 0 EEADMM CC(C)(CCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1)C(=O)[O-] ZINC001609674674 1352056059 /nfs/dbraw/zinc/05/60/59/1352056059.db2.gz ZHZXLOQFMYYKFU-UHFFFAOYSA-N -1 1 340.370 2.224 20 0 EEADMM CC(C)CCn1cccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609696912 1352062130 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EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC001346284132 1337482125 /nfs/dbraw/zinc/48/21/25/1337482125.db2.gz PFGCFPAZEXUDJI-UHFFFAOYSA-N -1 1 333.388 2.380 20 0 EEADMM O=C(C=Cc1ccccc1C(F)(F)F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347974860 1337529214 /nfs/dbraw/zinc/52/92/14/1337529214.db2.gz PKAGGUDLRARLDA-MVIFTORASA-N -1 1 337.305 2.248 20 0 EEADMM CCN1C(=O)N=NC1C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001610083145 1352158750 /nfs/dbraw/zinc/15/87/50/1352158750.db2.gz IBGPCZCWHIDYJN-UHFFFAOYSA-N -1 1 348.378 2.221 20 0 EEADMM CN1CCN(C(=O)c2cc3c(cccc3F)s2)C[C@H](C(=O)[O-])C1 ZINC001610137003 1352170846 /nfs/dbraw/zinc/17/08/46/1352170846.db2.gz PXPGWAFRZSXNFT-SNVBAGLBSA-N -1 1 336.388 2.129 20 0 EEADMM CN(C)c1cccc2sc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)cc21 ZINC001352587070 1337989513 /nfs/dbraw/zinc/98/95/13/1337989513.db2.gz WOXUBFXNUKHXFO-SNVBAGLBSA-N -1 1 342.428 2.110 20 0 EEADMM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001610158080 1352175817 /nfs/dbraw/zinc/17/58/17/1352175817.db2.gz GBLOLZBKUBGJCK-AWEZNQCLSA-N -1 1 349.280 2.451 20 0 EEADMM COC(OC)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)o1 ZINC001610233513 1352191520 /nfs/dbraw/zinc/19/15/20/1352191520.db2.gz WSICANHVUAGSLP-UHFFFAOYSA-N -1 1 345.311 2.398 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@H](C(=O)[O-])c1ccccc1C ZINC001610257707 1352195455 /nfs/dbraw/zinc/19/54/55/1352195455.db2.gz ABULPLUSEIFPAN-LBPRGKRZSA-N -1 1 337.401 2.247 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c(C)c1F ZINC001610346649 1352208811 /nfs/dbraw/zinc/20/88/11/1352208811.db2.gz RXECPZKJPJLAPQ-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM COc1cccc2c1n[nH]c2C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610359568 1352210396 /nfs/dbraw/zinc/21/03/96/1352210396.db2.gz CJTYNOZNRKPDMA-UHFFFAOYSA-N -1 1 325.324 2.451 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cn(C)nc2C(F)(F)F)n1C ZINC001610408449 1352217833 /nfs/dbraw/zinc/21/78/33/1352217833.db2.gz BFRUYEYXBRHPQG-UHFFFAOYSA-N -1 1 330.310 2.074 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)Nc3ccc(C(=O)[O-])nn3)[nH]n2)o1 ZINC001610479744 1352229702 /nfs/dbraw/zinc/22/97/02/1352229702.db2.gz NZDCZSJQLFXKKD-UHFFFAOYSA-N -1 1 328.288 2.110 20 0 EEADMM Cc1sc([C@H]2CCCN2CCCN2CCOC2=O)nc1C(=O)[O-] ZINC001610592036 1352250665 /nfs/dbraw/zinc/25/06/65/1352250665.db2.gz NEVXACYIWFLSRN-LLVKDONJSA-N -1 1 339.417 2.129 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001610706788 1352262818 /nfs/dbraw/zinc/26/28/18/1352262818.db2.gz QFWIOBWSTAKJGT-CQSZACIVSA-N -1 1 337.339 2.414 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cnnn1-c1ccccc1 ZINC001610749718 1352268719 /nfs/dbraw/zinc/26/87/19/1352268719.db2.gz SVBMGEMJJXTOMF-GOSISDBHSA-N -1 1 334.379 2.451 20 0 EEADMM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC001610781465 1352273613 /nfs/dbraw/zinc/27/36/13/1352273613.db2.gz HAVQSKODYWLBPW-UHFFFAOYSA-N -1 1 327.262 2.156 20 0 EEADMM O=C([O-])c1ccccc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC001610852770 1352285972 /nfs/dbraw/zinc/28/59/72/1352285972.db2.gz MAOIRROFKOBHMV-UHFFFAOYSA-N -1 1 326.396 2.408 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1sccc1C1CC1 ZINC001429222791 1339840669 /nfs/dbraw/zinc/84/06/69/1339840669.db2.gz DVOMEQZGQPDRPL-UHFFFAOYSA-N -1 1 345.424 2.228 20 0 EEADMM CN(CCNC(=O)C1(C2CCCCC2)CC1)C(=O)c1ncccc1[O-] ZINC001429403551 1339896227 /nfs/dbraw/zinc/89/62/27/1339896227.db2.gz JSFOAZIGPCFPCG-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001430146267 1340139707 /nfs/dbraw/zinc/13/97/07/1340139707.db2.gz MRDRIWZGPPUVCU-BPLDGKMQSA-N -1 1 345.443 2.381 20 0 EEADMM CC1(CCC(=O)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431761997 1340719270 /nfs/dbraw/zinc/71/92/70/1340719270.db2.gz UQWRFYZLBQOGQR-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H]1C[C@H]1C(=O)N(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001433058404 1341484236 /nfs/dbraw/zinc/48/42/36/1341484236.db2.gz ZIFVVEWQSMJQGQ-UKRRQHHQSA-N -1 1 345.443 2.144 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CC(C)C ZINC001433694783 1341661524 /nfs/dbraw/zinc/66/15/24/1341661524.db2.gz RVHKEKFGICOXFS-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434772705 1341938280 /nfs/dbraw/zinc/93/82/80/1341938280.db2.gz JFTWVIGOINZOIF-KXNHARMFSA-N -1 1 335.370 2.416 20 0 EEADMM O=C(CCCc1c[nH]c2ccccc12)NCc1nc([O-])cc(=O)[nH]1 ZINC001557704514 1342453138 /nfs/dbraw/zinc/45/31/38/1342453138.db2.gz ZMIPDLXJJOTKMR-UHFFFAOYSA-N -1 1 326.356 2.008 20 0 EEADMM O=C(Cc1cccc2cccnc21)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001557724575 1342453877 /nfs/dbraw/zinc/45/38/77/1342453877.db2.gz YMZJPRZBFXDUTC-GOSISDBHSA-N -1 1 344.378 2.196 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1c(-c2ccco2)nc2ccccn21 ZINC001566694031 1342605399 /nfs/dbraw/zinc/60/53/99/1342605399.db2.gz XIURURJHFJXQJE-UHFFFAOYSA-N -1 1 337.343 2.069 20 0 EEADMM CCC1(C(=O)N(C)C[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577061914 1344085740 /nfs/dbraw/zinc/08/57/40/1344085740.db2.gz QAXXDXVUMOZNQL-SECBINFHSA-N -1 1 349.464 2.081 20 0 EEADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203108 1344104389 /nfs/dbraw/zinc/10/43/89/1344104389.db2.gz OUXAWHDPDDCRRL-RQJHMYQMSA-N -1 1 343.844 2.082 20 0 EEADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577387541 1344138418 /nfs/dbraw/zinc/13/84/18/1344138418.db2.gz ILYJADHMYNOJLZ-MFKMUULPSA-N -1 1 344.419 2.317 20 0 EEADMM CO[C@](C)(C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001579530415 1344392912 /nfs/dbraw/zinc/39/29/12/1344392912.db2.gz LZUWAULVGRVNIH-INIZCTEOSA-N -1 1 343.412 2.106 20 0 EEADMM COc1c(Cl)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579875417 1344423741 /nfs/dbraw/zinc/42/37/41/1344423741.db2.gz ZHRKVYKATWSQDU-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1c(Cl)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579875417 1344423746 /nfs/dbraw/zinc/42/37/46/1344423746.db2.gz ZHRKVYKATWSQDU-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1ccc(Br)cc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001579969256 1344441764 /nfs/dbraw/zinc/44/17/64/1344441764.db2.gz HLEAKLAOXMOXEM-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(Br)cc1Oc1cc(-c2nn[n-]n2)ncn1 ZINC001579969256 1344441766 /nfs/dbraw/zinc/44/17/66/1344441766.db2.gz HLEAKLAOXMOXEM-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ncc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1-c1nn[n-]n1 ZINC001580133290 1344478116 /nfs/dbraw/zinc/47/81/16/1344478116.db2.gz KCVURGHIPBZFFQ-CHWSQXEVSA-N -1 1 342.403 2.447 20 0 EEADMM Cc1ccccc1OCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001581261015 1344608478 /nfs/dbraw/zinc/60/84/78/1344608478.db2.gz PADUGXLMMGRQDK-UHFFFAOYSA-N -1 1 338.371 2.002 20 0 EEADMM Cc1ccccc1OCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001581261015 1344608480 /nfs/dbraw/zinc/60/84/80/1344608480.db2.gz PADUGXLMMGRQDK-UHFFFAOYSA-N -1 1 338.371 2.002 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)CCC2(C)CC2)c1-c1nn[n-]n1 ZINC001581716352 1344657614 /nfs/dbraw/zinc/65/76/14/1344657614.db2.gz KFZFYHFBFXZSID-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Cc1nsc(NC/C=C/CNC(=O)CCC(C)C)c1-c1nn[n-]n1 ZINC001581714598 1344657734 /nfs/dbraw/zinc/65/77/34/1344657734.db2.gz QSXDVNQEBADQED-SNAWJCMRSA-N -1 1 349.464 2.152 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccc(-c2nnn[n-]2)s1 ZINC001582338205 1344736412 /nfs/dbraw/zinc/73/64/12/1344736412.db2.gz ZDSWGISURAJWTI-RNCFNFMXSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccc(-c2nn[n-]n2)s1 ZINC001582338205 1344736418 /nfs/dbraw/zinc/73/64/18/1344736418.db2.gz ZDSWGISURAJWTI-RNCFNFMXSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cncc(Cl)c1 ZINC001582550042 1344760781 /nfs/dbraw/zinc/76/07/81/1344760781.db2.gz PZUNAMZCHSFWRP-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c(Cl)n[nH]c1C1CC1 ZINC001582549762 1344761101 /nfs/dbraw/zinc/76/11/01/1344761101.db2.gz IYLTYJSDHCITMM-UHFFFAOYSA-N -1 1 349.807 2.112 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(-n2cccn2)n1 ZINC001586211450 1348847770 /nfs/dbraw/zinc/84/77/70/1348847770.db2.gz QJAUIQOSVRYRMU-UHFFFAOYSA-N -1 1 346.350 2.411 20 0 EEADMM CC(=O)N[C@H](C)CCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588835248 1348939227 /nfs/dbraw/zinc/93/92/27/1348939227.db2.gz CKKRMHAVXYCRJP-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CC(=O)N[C@H](C)CCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588835248 1348939230 /nfs/dbraw/zinc/93/92/30/1348939230.db2.gz CKKRMHAVXYCRJP-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CC(C)(C)SCCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001589209209 1348970524 /nfs/dbraw/zinc/97/05/24/1348970524.db2.gz XWZGLBXOXDHFTC-UHFFFAOYSA-N -1 1 333.461 2.439 20 0 EEADMM CC(C)[C@@H](CCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589442034 1348990793 /nfs/dbraw/zinc/99/07/93/1348990793.db2.gz PLCCTCWJQOCNCK-CYBMUJFWSA-N -1 1 339.403 2.191 20 0 EEADMM CC(C)CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589587868 1349007250 /nfs/dbraw/zinc/00/72/50/1349007250.db2.gz FGWXQNSMCRKZOW-INIZCTEOSA-N -1 1 331.424 2.133 20 0 EEADMM CC(C)CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589587868 1349007254 /nfs/dbraw/zinc/00/72/54/1349007254.db2.gz FGWXQNSMCRKZOW-INIZCTEOSA-N -1 1 331.424 2.133 20 0 EEADMM CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589587667 1349007436 /nfs/dbraw/zinc/00/74/36/1349007436.db2.gz ZHCXEQHTQSNHCY-AWEZNQCLSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)CC[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589587667 1349007438 /nfs/dbraw/zinc/00/74/38/1349007438.db2.gz ZHCXEQHTQSNHCY-AWEZNQCLSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cncc(-c2nnn[n-]2)n1 ZINC001589628711 1349013764 /nfs/dbraw/zinc/01/37/64/1349013764.db2.gz KAUHTHSQXWGBOM-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cncc(-c2nn[n-]n2)n1 ZINC001589628711 1349013770 /nfs/dbraw/zinc/01/37/70/1349013770.db2.gz KAUHTHSQXWGBOM-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)OCc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001589750418 1349029383 /nfs/dbraw/zinc/02/93/83/1349029383.db2.gz ZPKOUSHQDAFEFT-UHFFFAOYSA-N -1 1 325.376 2.194 20 0 EEADMM CC(C)OCc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001589750418 1349029386 /nfs/dbraw/zinc/02/93/86/1349029386.db2.gz ZPKOUSHQDAFEFT-UHFFFAOYSA-N -1 1 325.376 2.194 20 0 EEADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589772805 1349034837 /nfs/dbraw/zinc/03/48/37/1349034837.db2.gz TXWGPGBCACMJFC-UHFFFAOYSA-N -1 1 333.373 2.384 20 0 EEADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589804769 1349048670 /nfs/dbraw/zinc/04/86/70/1349048670.db2.gz LTSCETXAMDSQLR-MRVPVSSYSA-N -1 1 328.298 2.113 20 0 EEADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589804769 1349048671 /nfs/dbraw/zinc/04/86/71/1349048671.db2.gz LTSCETXAMDSQLR-MRVPVSSYSA-N -1 1 328.298 2.113 20 0 EEADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccn1-c1ccccc1 ZINC001589970485 1349086465 /nfs/dbraw/zinc/08/64/65/1349086465.db2.gz KKTWXNQHPNGLPX-GFCCVEGCSA-N -1 1 335.371 2.496 20 0 EEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccn1-c1ccccc1 ZINC001589970485 1349086471 /nfs/dbraw/zinc/08/64/71/1349086471.db2.gz KKTWXNQHPNGLPX-GFCCVEGCSA-N -1 1 335.371 2.496 20 0 EEADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cnn(C2CCC2)c1 ZINC001589976930 1349089223 /nfs/dbraw/zinc/08/92/23/1349089223.db2.gz QCXHQSKSEPAYPO-SECBINFHSA-N -1 1 330.421 2.096 20 0 EEADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cnn(C2CCC2)c1 ZINC001589976930 1349089234 /nfs/dbraw/zinc/08/92/34/1349089234.db2.gz QCXHQSKSEPAYPO-SECBINFHSA-N -1 1 330.421 2.096 20 0 EEADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590048881 1349128985 /nfs/dbraw/zinc/12/89/85/1349128985.db2.gz FGYBACFRPOJBOP-SECBINFHSA-N -1 1 343.778 2.143 20 0 EEADMM C[C@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCc2ccccc21 ZINC001590071039 1349137403 /nfs/dbraw/zinc/13/74/03/1349137403.db2.gz QXUWZPTUBBSOMO-SFHVURJKSA-N -1 1 335.367 2.415 20 0 EEADMM CC1(C)CC(=O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590080755 1349142058 /nfs/dbraw/zinc/14/20/58/1349142058.db2.gz PERFKKHRAWKDPN-UHFFFAOYSA-N -1 1 326.813 2.172 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCCO1 ZINC001590133376 1349169809 /nfs/dbraw/zinc/16/98/09/1349169809.db2.gz AQUWZBFLZMGNFY-INIZCTEOSA-N -1 1 325.376 2.181 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCCO1 ZINC001590133376 1349169812 /nfs/dbraw/zinc/16/98/12/1349169812.db2.gz AQUWZBFLZMGNFY-INIZCTEOSA-N -1 1 325.376 2.181 20 0 EEADMM C[C@@H]1[C@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)[C@H]1c1ccccc1 ZINC001590165951 1349181951 /nfs/dbraw/zinc/18/19/51/1349181951.db2.gz QUUIIJRIQHIRAG-FZZIBODNSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1[C@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)[C@H]1c1ccccc1 ZINC001590165951 1349181954 /nfs/dbraw/zinc/18/19/54/1349181954.db2.gz QUUIIJRIQHIRAG-FZZIBODNSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590216946 1349203474 /nfs/dbraw/zinc/20/34/74/1349203474.db2.gz BQQFBIKFBNHZCE-PXIYARARSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590216946 1349203478 /nfs/dbraw/zinc/20/34/78/1349203478.db2.gz BQQFBIKFBNHZCE-PXIYARARSA-N -1 1 333.342 2.053 20 0 EEADMM C[C@H]1CCC[C@H](N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590245736 1349222712 /nfs/dbraw/zinc/22/27/12/1349222712.db2.gz ZETHTAQXUWGSNA-UWVGGRQHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCC[C@H](N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590245736 1349222724 /nfs/dbraw/zinc/22/27/24/1349222724.db2.gz ZETHTAQXUWGSNA-UWVGGRQHSA-N -1 1 335.437 2.043 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590361582 1349285625 /nfs/dbraw/zinc/28/56/25/1349285625.db2.gz KEMFCWPHIPROBC-GXSJLCMTSA-N -1 1 349.464 2.223 20 0 EEADMM CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H](O)c1ccccc1 ZINC001590459442 1349337359 /nfs/dbraw/zinc/33/73/59/1349337359.db2.gz KDNQUERXOMJEBO-OCCSQVGLSA-N -1 1 343.412 2.170 20 0 EEADMM CCOC(=O)N[C@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)CC(C)C ZINC001590767836 1349398053 /nfs/dbraw/zinc/39/80/53/1349398053.db2.gz AKQQBUFOURQEGX-ZDUSSCGKSA-N -1 1 347.423 2.143 20 0 EEADMM CCOC(=O)N[C@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)CC(C)C ZINC001590767836 1349398056 /nfs/dbraw/zinc/39/80/56/1349398056.db2.gz AKQQBUFOURQEGX-ZDUSSCGKSA-N -1 1 347.423 2.143 20 0 EEADMM CCc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)oc1CC ZINC001590882018 1349408547 /nfs/dbraw/zinc/40/85/47/1349408547.db2.gz UELWEYAZTZXKQD-UHFFFAOYSA-N -1 1 327.344 2.337 20 0 EEADMM CCc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)oc1CC ZINC001590882018 1349408552 /nfs/dbraw/zinc/40/85/52/1349408552.db2.gz UELWEYAZTZXKQD-UHFFFAOYSA-N -1 1 327.344 2.337 20 0 EEADMM CN(OCc1ccccc1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591154643 1349441811 /nfs/dbraw/zinc/44/18/11/1349441811.db2.gz CRPKJMYLGGVGBJ-UHFFFAOYSA-N -1 1 345.309 2.349 20 0 EEADMM CN(OCc1ccccc1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591154643 1349441819 /nfs/dbraw/zinc/44/18/19/1349441819.db2.gz CRPKJMYLGGVGBJ-UHFFFAOYSA-N -1 1 345.309 2.349 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CCCCC2(C)C)c1 ZINC001591286604 1349456507 /nfs/dbraw/zinc/45/65/07/1349456507.db2.gz LQRDJUMRHWTKIH-GFCCVEGCSA-N -1 1 345.403 2.031 20 0 EEADMM COCC[C@@H](Cc1ccco1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591399107 1349481296 /nfs/dbraw/zinc/48/12/96/1349481296.db2.gz ONYAGVXZFHGFDF-JTQLQIEISA-N -1 1 334.405 2.284 20 0 EEADMM COCCc1ccc(Oc2cc(-c3nnn[n-]3)ncn2)c(Cl)c1 ZINC001591447180 1349486254 /nfs/dbraw/zinc/48/62/54/1349486254.db2.gz HLNLALLWMFTMRI-UHFFFAOYSA-N -1 1 332.751 2.291 20 0 EEADMM COCCc1ccc(Oc2cc(-c3nn[n-]n3)ncn2)c(Cl)c1 ZINC001591447180 1349486265 /nfs/dbraw/zinc/48/62/65/1349486265.db2.gz HLNLALLWMFTMRI-UHFFFAOYSA-N -1 1 332.751 2.291 20 0 EEADMM Cc1cc(Br)cnc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591905885 1349555637 /nfs/dbraw/zinc/55/56/37/1349555637.db2.gz OCSZPXGUEZSZEY-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cc(Br)cnc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591905885 1349555644 /nfs/dbraw/zinc/55/56/44/1349555644.db2.gz OCSZPXGUEZSZEY-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cccc(CCCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001592229145 1349611815 /nfs/dbraw/zinc/61/18/15/1349611815.db2.gz UPFVGMUQCFFMLS-UHFFFAOYSA-N -1 1 336.403 2.282 20 0 EEADMM Cc1cccc(CCCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001592229145 1349611821 /nfs/dbraw/zinc/61/18/21/1349611821.db2.gz UPFVGMUQCFFMLS-UHFFFAOYSA-N -1 1 336.403 2.282 20 0 EEADMM Cc1csc(C2(NCc3cccc(-c4nn[n-]n4)n3)CCC2)n1 ZINC001592313052 1349620035 /nfs/dbraw/zinc/62/00/35/1349620035.db2.gz OXXVSROXDANEAH-UHFFFAOYSA-N -1 1 327.417 2.196 20 0 EEADMM Cc1nsc(N2CCC[C@H](c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001592474835 1349634485 /nfs/dbraw/zinc/63/44/85/1349634485.db2.gz ZQMIMARMZLQGAQ-LBPRGKRZSA-N -1 1 327.417 2.411 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@@H](C)OCC(F)(F)F)no1 ZINC001592494867 1349637102 /nfs/dbraw/zinc/63/71/02/1349637102.db2.gz FUUIKYICINRXJM-ZCFIWIBFSA-N -1 1 344.253 2.458 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@@H](C)OCC(F)(F)F)no1 ZINC001592494867 1349637103 /nfs/dbraw/zinc/63/71/03/1349637103.db2.gz FUUIKYICINRXJM-ZCFIWIBFSA-N -1 1 344.253 2.458 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOc1ccc(Cl)cc1 ZINC001592501828 1349638057 /nfs/dbraw/zinc/63/80/57/1349638057.db2.gz SVABBUMKGWQYKZ-UHFFFAOYSA-N -1 1 347.762 2.230 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOc1ccc(Cl)cc1 ZINC001592501828 1349638058 /nfs/dbraw/zinc/63/80/58/1349638058.db2.gz SVABBUMKGWQYKZ-UHFFFAOYSA-N -1 1 347.762 2.230 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nc2ccccc2o1 ZINC001592504175 1349643181 /nfs/dbraw/zinc/64/31/81/1349643181.db2.gz XJDOCAXOYPTTMF-UHFFFAOYSA-N -1 1 325.284 2.266 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nc2ccccc2o1 ZINC001592504175 1349643185 /nfs/dbraw/zinc/64/31/85/1349643185.db2.gz XJDOCAXOYPTTMF-UHFFFAOYSA-N -1 1 325.284 2.266 20 0 EEADMM ClC1(Cl)CC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592524186 1349646384 /nfs/dbraw/zinc/64/63/84/1349646384.db2.gz ORJBFOLQWKLIHW-UHFFFAOYSA-N -1 1 326.191 2.282 20 0 EEADMM ClC1(Cl)CC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592524186 1349646386 /nfs/dbraw/zinc/64/63/86/1349646386.db2.gz ORJBFOLQWKLIHW-UHFFFAOYSA-N -1 1 326.191 2.282 20 0 EEADMM Clc1cc2c(cc1Sc1nnccc1-c1nn[n-]n1)OCCO2 ZINC001592527097 1349647942 /nfs/dbraw/zinc/64/79/42/1349647942.db2.gz CPGDOJSIQPPOJN-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1sc(NC[C@@H]2Cc3ccccc3O2)nc1-c1nn[n-]n1 ZINC001592542693 1349653731 /nfs/dbraw/zinc/65/37/31/1349653731.db2.gz HUJDGBINTDOZTM-QMMMGPOBSA-N -1 1 334.792 2.392 20 0 EEADMM Cn1nccc1[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592605755 1349667666 /nfs/dbraw/zinc/66/76/66/1349667666.db2.gz BTPSFKLGDZCDHY-MRVPVSSYSA-N -1 1 336.812 2.052 20 0 EEADMM Cn1nccc1[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592605755 1349667671 /nfs/dbraw/zinc/66/76/71/1349667671.db2.gz BTPSFKLGDZCDHY-MRVPVSSYSA-N -1 1 336.812 2.052 20 0 EEADMM FC(F)(F)[C@H]1CC[C@H](CCNc2cccnc2-c2nnn[n-]2)O1 ZINC001592613216 1349669337 /nfs/dbraw/zinc/66/93/37/1349669337.db2.gz BMKTUBQGVNTQNU-PSASIEDQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@H]1CC[C@H](CCNc2cccnc2-c2nn[n-]n2)O1 ZINC001592613216 1349669345 /nfs/dbraw/zinc/66/93/45/1349669345.db2.gz BMKTUBQGVNTQNU-PSASIEDQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001592618783 1349673347 /nfs/dbraw/zinc/67/33/47/1349673347.db2.gz WWZSMNOUXUPJEB-VIFPVBQESA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001592618783 1349673349 /nfs/dbraw/zinc/67/33/49/1349673349.db2.gz WWZSMNOUXUPJEB-VIFPVBQESA-N -1 1 328.298 2.262 20 0 EEADMM Fc1cc(F)cc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001592642423 1349689409 /nfs/dbraw/zinc/68/94/09/1349689409.db2.gz UBQGXGRUMQUBIO-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1cc(F)cc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001592642423 1349689412 /nfs/dbraw/zinc/68/94/12/1349689412.db2.gz UBQGXGRUMQUBIO-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c(F)c1F ZINC001592649823 1349696121 /nfs/dbraw/zinc/69/61/21/1349696121.db2.gz RXKNHESJFDWGLY-UHFFFAOYSA-N -1 1 335.293 2.497 20 0 EEADMM Fc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(F)c1F ZINC001592649823 1349696137 /nfs/dbraw/zinc/69/61/37/1349696137.db2.gz RXKNHESJFDWGLY-UHFFFAOYSA-N -1 1 335.293 2.497 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC001593129859 1349739082 /nfs/dbraw/zinc/73/90/82/1349739082.db2.gz WIPWULDUTIDYOQ-UHFFFAOYSA-N -1 1 329.747 2.156 20 0 EEADMM O=C(OCCOc1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593288939 1349766094 /nfs/dbraw/zinc/76/60/94/1349766094.db2.gz QLKCVNUMWCSDCK-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(OCCOc1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593288939 1349766116 /nfs/dbraw/zinc/76/61/16/1349766116.db2.gz QLKCVNUMWCSDCK-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(Cc1ccco1)c1ccccn1 ZINC001593348199 1349787270 /nfs/dbraw/zinc/78/72/70/1349787270.db2.gz PGWQKSHKCOWKEZ-UHFFFAOYSA-N -1 1 347.338 2.097 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(Cc1ccco1)c1ccccn1 ZINC001593348199 1349787274 /nfs/dbraw/zinc/78/72/74/1349787274.db2.gz PGWQKSHKCOWKEZ-UHFFFAOYSA-N -1 1 347.338 2.097 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccccn1 ZINC001593371207 1349792757 /nfs/dbraw/zinc/79/27/57/1349792757.db2.gz OGEWPXLFAYRWQT-GFCCVEGCSA-N -1 1 326.385 2.301 20 0 EEADMM O=C1CCCC12CCN(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001593394508 1349796535 /nfs/dbraw/zinc/79/65/35/1349796535.db2.gz XEWBFUWUTCUMAP-UHFFFAOYSA-N -1 1 338.824 2.316 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc(Cl)c2ccccc12 ZINC001593494189 1349820084 /nfs/dbraw/zinc/82/00/84/1349820084.db2.gz JJVYJARPGKSKHJ-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCn1ccc2cc(Cl)ccc21 ZINC001593496672 1349820800 /nfs/dbraw/zinc/82/08/00/1349820800.db2.gz QLMVBQMEEVBTPR-UHFFFAOYSA-N -1 1 340.774 2.337 20 0 EEADMM OC[C@H](CCc1ccccc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593543052 1349838254 /nfs/dbraw/zinc/83/82/54/1349838254.db2.gz ZSSYRYRWCBZASB-LBPRGKRZSA-N -1 1 344.806 2.321 20 0 EEADMM OC[C@H](CCc1ccccc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593543052 1349838260 /nfs/dbraw/zinc/83/82/60/1349838260.db2.gz ZSSYRYRWCBZASB-LBPRGKRZSA-N -1 1 344.806 2.321 20 0 EEADMM c1ccc(CC2(Nc3cccc(-c4nnn[n-]4)n3)CCOCC2)cc1 ZINC001593572179 1349857504 /nfs/dbraw/zinc/85/75/04/1349857504.db2.gz RUVNJZKGSKAHEC-UHFFFAOYSA-N -1 1 336.399 2.466 20 0 EEADMM c1ccc(CC2(Nc3cccc(-c4nn[n-]n4)n3)CCOCC2)cc1 ZINC001593572179 1349857509 /nfs/dbraw/zinc/85/75/09/1349857509.db2.gz RUVNJZKGSKAHEC-UHFFFAOYSA-N -1 1 336.399 2.466 20 0 EEADMM c1ccc(Cc2nc(Sc3cccc(-c4nn[n-]n4)n3)n[nH]2)cc1 ZINC001593575118 1349857894 /nfs/dbraw/zinc/85/78/94/1349857894.db2.gz ONSDTQWMCKWUEW-UHFFFAOYSA-N -1 1 336.384 2.122 20 0 EEADMM c1ccc2cc(OCCCNc3ccnc(-c4nn[n-]n4)n3)ccc2c1 ZINC001593582445 1349863117 /nfs/dbraw/zinc/86/31/17/1349863117.db2.gz LSHKVZBPXKXQEU-UHFFFAOYSA-N -1 1 347.382 2.113 20 0 EEADMM COc1cccc([C@H](NC(=O)c2ccc3cncn3c2C)C(=O)[O-])c1 ZINC001599687095 1349948247 /nfs/dbraw/zinc/94/82/47/1349948247.db2.gz TXGXFUUFGKCCIT-INIZCTEOSA-N -1 1 339.351 2.207 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCC(=O)N2CCCc3ccccc32)n1C ZINC001599994441 1349951459 /nfs/dbraw/zinc/95/14/59/1349951459.db2.gz MLULZTWJOCKADE-UHFFFAOYSA-N -1 1 341.411 2.101 20 0 EEADMM Cc1c(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1C(=O)[O-] ZINC001600042328 1349960626 /nfs/dbraw/zinc/96/06/26/1349960626.db2.gz DORCEVMWTGHHRU-BETUJISGSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2coc([C@@H]3CCCN3)n2)C(=O)[O-])cc1 ZINC001600376618 1350034004 /nfs/dbraw/zinc/03/40/04/1350034004.db2.gz BHICNQQPBQOQBL-KBPBESRZSA-N -1 1 343.383 2.006 20 0 EEADMM Cc1ccc(CCC2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1 ZINC001600406584 1350042607 /nfs/dbraw/zinc/04/26/07/1350042607.db2.gz XPSRLRBJCRDZSS-UHFFFAOYSA-N -1 1 332.444 2.231 20 0 EEADMM Cc1ccc(CN2CCN(CCc3ccncc3)CC2)cc1C(=O)[O-] ZINC001600414112 1350045054 /nfs/dbraw/zinc/04/50/54/1350045054.db2.gz WHSXOYVEFLMNFE-UHFFFAOYSA-N -1 1 339.439 2.449 20 0 EEADMM Cc1ccc(NC(=O)[C@@H](C)N2CCSC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001600443841 1350052821 /nfs/dbraw/zinc/05/28/21/1350052821.db2.gz DLUFYKDLLPTECB-KGLIPLIRSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1C(=O)[O-] ZINC001600451621 1350055219 /nfs/dbraw/zinc/05/52/19/1350055219.db2.gz IZVSITUCXVQEJL-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c(=O)c2c1 ZINC001600503327 1350068172 /nfs/dbraw/zinc/06/81/72/1350068172.db2.gz DFJUDPXIFZQEQD-NWDGAFQWSA-N -1 1 328.368 2.019 20 0 EEADMM Cc1cccc([C@@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001600514425 1350070596 /nfs/dbraw/zinc/07/05/96/1350070596.db2.gz CLWMWCQYCXIYPS-HOTGVXAUSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@@H](N)c2ccccc2C)C(=O)[O-])c1 ZINC001600528071 1350074170 /nfs/dbraw/zinc/07/41/70/1350074170.db2.gz SKFCTJJZMLYJSM-WMZOPIPTSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1ccncc1CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001600604779 1350095822 /nfs/dbraw/zinc/09/58/22/1350095822.db2.gz CYOZOZMUXAFJQU-MRXNPFEDSA-N -1 1 325.368 2.131 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@](C)(CC(=O)[O-])c3ccncc3)c2[nH]1 ZINC001600720571 1350120794 /nfs/dbraw/zinc/12/07/94/1350120794.db2.gz KADKBFVHBFWGGV-GOSISDBHSA-N -1 1 338.367 2.386 20 0 EEADMM Cc1nn(C)c2ncc(CNCc3ccc(C(=O)[O-])cc3F)cc12 ZINC001600776579 1350134091 /nfs/dbraw/zinc/13/40/91/1350134091.db2.gz XFEGCAHQWPPSJM-UHFFFAOYSA-N -1 1 328.347 2.404 20 0 EEADMM Cn1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC001600951656 1350175735 /nfs/dbraw/zinc/17/57/35/1350175735.db2.gz IRZKXQRVIFZUCP-UHFFFAOYSA-N -1 1 337.420 2.212 20 0 EEADMM O=C(C=Cc1cc(C(=O)[O-])co1)NCc1n[nH]c(-c2ccccc2)n1 ZINC001601233132 1350237343 /nfs/dbraw/zinc/23/73/43/1350237343.db2.gz JQZNZSWPVULMFM-VOTSOKGWSA-N -1 1 338.323 2.093 20 0 EEADMM O=C(C=Cc1cc(C(=O)[O-])co1)NCc1nc(-c2ccccc2)n[nH]1 ZINC001601233132 1350237344 /nfs/dbraw/zinc/23/73/44/1350237344.db2.gz JQZNZSWPVULMFM-VOTSOKGWSA-N -1 1 338.323 2.093 20 0 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C[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1CO ZINC001604757524 1350998060 /nfs/dbraw/zinc/99/80/60/1350998060.db2.gz UJCMVXMBSJMAHV-WFASDCNBSA-N -1 1 330.384 2.490 20 0 EEADMM COC(=O)c1ccc(N2CC[C@H](C)C3(CCC3)C2)c(-c2nnn[n-]2)n1 ZINC001604973064 1351043012 /nfs/dbraw/zinc/04/30/12/1351043012.db2.gz KBQCADZAZSCLJS-NSHDSACASA-N -1 1 342.403 2.065 20 0 EEADMM COC(=O)c1ccc(N2CC[C@H](C)C3(CCC3)C2)c(-c2nn[n-]n2)n1 ZINC001604973064 1351043015 /nfs/dbraw/zinc/04/30/15/1351043015.db2.gz KBQCADZAZSCLJS-NSHDSACASA-N -1 1 342.403 2.065 20 0 EEADMM CC[C@@H]1CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)[C@H]1C ZINC001605170405 1351094122 /nfs/dbraw/zinc/09/41/22/1351094122.db2.gz BGWZDBNSRTXAKU-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM CC[C@H]1CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)[C@H]1C ZINC001605170406 1351094297 /nfs/dbraw/zinc/09/42/97/1351094297.db2.gz BGWZDBNSRTXAKU-RYUDHWBXSA-N -1 1 348.399 2.230 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001605202973 1351102050 /nfs/dbraw/zinc/10/20/50/1351102050.db2.gz NAOOBRRHDGGPAE-UHFFFAOYSA-N -1 1 327.344 2.015 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001605202973 1351102052 /nfs/dbraw/zinc/10/20/52/1351102052.db2.gz NAOOBRRHDGGPAE-UHFFFAOYSA-N -1 1 327.344 2.015 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)c(C)c1 ZINC001605280205 1351123236 /nfs/dbraw/zinc/12/32/36/1351123236.db2.gz JNPXLPPTVJGSHN-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)c(C)c1 ZINC001605280205 1351123237 /nfs/dbraw/zinc/12/32/37/1351123237.db2.gz JNPXLPPTVJGSHN-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(CNc2snc(C)c2-c2nn[n-]n2)c(OC)c1 ZINC001605286059 1351125042 /nfs/dbraw/zinc/12/50/42/1351125042.db2.gz RMYVHCYTPGOZEI-UHFFFAOYSA-N -1 1 332.389 2.261 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1C ZINC001605305998 1351131663 /nfs/dbraw/zinc/13/16/63/1351131663.db2.gz GRGGJHTWRBKDGE-JTQLQIEISA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1C ZINC001605305998 1351131665 /nfs/dbraw/zinc/13/16/65/1351131665.db2.gz GRGGJHTWRBKDGE-JTQLQIEISA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccc2ccccc2c1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001605311002 1351132451 /nfs/dbraw/zinc/13/24/51/1351132451.db2.gz DZLTZDYGNVRWRX-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccc2ccccc2c1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001605311002 1351132456 /nfs/dbraw/zinc/13/24/56/1351132456.db2.gz DZLTZDYGNVRWRX-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001605336494 1351140038 /nfs/dbraw/zinc/14/00/38/1351140038.db2.gz QLEIORFZWFLLPL-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605336494 1351140040 /nfs/dbraw/zinc/14/00/40/1351140040.db2.gz QLEIORFZWFLLPL-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc1-c1nn[n-]n1 ZINC001605346263 1351142059 /nfs/dbraw/zinc/14/20/59/1351142059.db2.gz WXCDGPLRZUJZBC-ZMLRMANQSA-N -1 1 328.376 2.035 20 0 EEADMM COc1ncc(NC(=O)NCC2CCC(C)CC2)cc1-c1nn[n-]n1 ZINC001605346433 1351142148 /nfs/dbraw/zinc/14/21/48/1351142148.db2.gz CBGUXPVNFXNTPD-UHFFFAOYSA-N -1 1 345.407 2.218 20 0 EEADMM COc1ncc(NC(=O)c2oc(SC)cc2C)cc1-c1nn[n-]n1 ZINC001605348338 1351143036 /nfs/dbraw/zinc/14/30/36/1351143036.db2.gz MCCFHWIXXCNAMO-UHFFFAOYSA-N -1 1 346.372 2.146 20 0 EEADMM CCOC(=O)c1c(C)[nH]nc1CN[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001605564177 1351191027 /nfs/dbraw/zinc/19/10/27/1351191027.db2.gz UEIOYLORVVSLEW-KRWDZBQOSA-N -1 1 349.362 2.124 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1O ZINC001605668270 1351214073 /nfs/dbraw/zinc/21/40/73/1351214073.db2.gz OQUSMSPLYYDTLC-UHFFFAOYSA-N -1 1 344.762 2.110 20 0 EEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001605683204 1351215304 /nfs/dbraw/zinc/21/53/04/1351215304.db2.gz VOQFDEUDQALIQH-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001605683204 1351215305 /nfs/dbraw/zinc/21/53/05/1351215305.db2.gz VOQFDEUDQALIQH-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC001605731616 1351219696 /nfs/dbraw/zinc/21/96/96/1351219696.db2.gz OGEDLXWMBBRKEO-WBMJQRKESA-N -1 1 348.424 2.352 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001605842673 1351234035 /nfs/dbraw/zinc/23/40/35/1351234035.db2.gz WRRQYTBAHWRTKS-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001605842673 1351234037 /nfs/dbraw/zinc/23/40/37/1351234037.db2.gz WRRQYTBAHWRTKS-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CO[C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605858569 1351239348 /nfs/dbraw/zinc/23/93/48/1351239348.db2.gz GADJLBUXSQYRGM-LBPRGKRZSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1ccc(CO[C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605858569 1351239351 /nfs/dbraw/zinc/23/93/51/1351239351.db2.gz GADJLBUXSQYRGM-LBPRGKRZSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1ccc(F)cc1OS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001605863720 1351240608 /nfs/dbraw/zinc/24/06/08/1351240608.db2.gz BPCMAQRIMAGACJ-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605888735 1351247274 /nfs/dbraw/zinc/24/72/74/1351247274.db2.gz WEDCUWTZEFLETQ-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605888735 1351247277 /nfs/dbraw/zinc/24/72/77/1351247277.db2.gz WEDCUWTZEFLETQ-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1[nH]nc(NC(=O)C[C@H](C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC001606013326 1351263586 /nfs/dbraw/zinc/26/35/86/1351263586.db2.gz LWQKDNMEQRAZQJ-QMMMGPOBSA-N -1 1 329.339 2.170 20 0 EEADMM Cc1ncsc1CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606104287 1351271853 /nfs/dbraw/zinc/27/18/53/1351271853.db2.gz LAJFWZNOHCAWMV-UHFFFAOYSA-N -1 1 349.445 2.035 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1-c1nnn[n-]1 ZINC001606113002 1351272794 /nfs/dbraw/zinc/27/27/94/1351272794.db2.gz SHVBAHFKXNDHLK-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1-c1nn[n-]n1 ZINC001606113002 1351272795 /nfs/dbraw/zinc/27/27/95/1351272795.db2.gz SHVBAHFKXNDHLK-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM CNC(=O)C[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001606267334 1351287955 /nfs/dbraw/zinc/28/79/55/1351287955.db2.gz AGRGWFAEQNQBND-QGZVFWFLSA-N -1 1 342.395 2.117 20 0 EEADMM Fc1ccc(C2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)cc1 ZINC001606316378 1351291885 /nfs/dbraw/zinc/29/18/85/1351291885.db2.gz AHTZEFDDZNPYLH-UHFFFAOYSA-N -1 1 339.378 2.142 20 0 EEADMM COC(=O)c1ccc(CN(CCC(=O)[O-])C[C@H]2CCCO2)c(F)c1 ZINC001606586522 1351327228 /nfs/dbraw/zinc/32/72/28/1351327228.db2.gz XJMSOWOPPITGFG-CQSZACIVSA-N -1 1 339.363 2.068 20 0 EEADMM O=C(NCCF)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001606776053 1351355089 /nfs/dbraw/zinc/35/50/89/1351355089.db2.gz STPBDGONEWKLOG-UHFFFAOYSA-N -1 1 345.309 2.497 20 0 EEADMM O=C(NCCF)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001606776053 1351355093 /nfs/dbraw/zinc/35/50/93/1351355093.db2.gz STPBDGONEWKLOG-UHFFFAOYSA-N -1 1 345.309 2.497 20 0 EEADMM O=C(NCCCc1ccccc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606776454 1351355614 /nfs/dbraw/zinc/35/56/14/1351355614.db2.gz NJIRQPRNFNPCFX-UHFFFAOYSA-N -1 1 341.350 2.155 20 0 EEADMM O=C(NCCCc1ccccc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606776454 1351355619 /nfs/dbraw/zinc/35/56/19/1351355619.db2.gz NJIRQPRNFNPCFX-UHFFFAOYSA-N -1 1 341.350 2.155 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(F)c(F)cc1Cl ZINC001606934567 1351379799 /nfs/dbraw/zinc/37/97/99/1351379799.db2.gz GQGDVQNCFKZIAD-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(F)c(F)cc1Cl ZINC001606934567 1351379802 /nfs/dbraw/zinc/37/98/02/1351379802.db2.gz GQGDVQNCFKZIAD-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2ccccc2C1 ZINC001606944123 1351381288 /nfs/dbraw/zinc/38/12/88/1351381288.db2.gz LJXWFCPQWDRVQE-CQSZACIVSA-N -1 1 349.398 2.331 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2ccccc2C1 ZINC001606944123 1351381292 /nfs/dbraw/zinc/38/12/92/1351381292.db2.gz LJXWFCPQWDRVQE-CQSZACIVSA-N -1 1 349.398 2.331 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc([C@@H]2CCOC2)c1 ZINC001606953753 1351383608 /nfs/dbraw/zinc/38/36/08/1351383608.db2.gz ZZMTYOKDZBODSD-LLVKDONJSA-N -1 1 342.384 2.079 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc([C@@H]2CCOC2)c1 ZINC001606953753 1351383614 /nfs/dbraw/zinc/38/36/14/1351383614.db2.gz ZZMTYOKDZBODSD-LLVKDONJSA-N -1 1 342.384 2.079 20 0 EEADMM COCc1nc(NC(=O)c2cccc3nc[nH]c32)sc1C(=O)[O-] ZINC001606978387 1351390615 /nfs/dbraw/zinc/39/06/15/1351390615.db2.gz WRWYUJVJAFSDTL-UHFFFAOYSA-N -1 1 332.341 2.116 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2sc(Cl)cc2C1 ZINC001607017105 1351397983 /nfs/dbraw/zinc/39/79/83/1351397983.db2.gz KDVNIFIWRWNFEV-UHFFFAOYSA-N -1 1 346.803 2.175 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2sc(Cl)cc2C1 ZINC001607017105 1351397985 /nfs/dbraw/zinc/39/79/85/1351397985.db2.gz KDVNIFIWRWNFEV-UHFFFAOYSA-N -1 1 346.803 2.175 20 0 EEADMM O=C1N(c2ccccc2)[C@@H](c2csc(-c3nn[n-]n3)c2)NC12CC2 ZINC001607049243 1351403610 /nfs/dbraw/zinc/40/36/10/1351403610.db2.gz FKPPAPOIOWNRGA-AWEZNQCLSA-N -1 1 338.396 2.096 20 0 EEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)C[C@@H](C)CO)c1 ZINC001607200927 1351448132 /nfs/dbraw/zinc/44/81/32/1351448132.db2.gz ZDFPZKQDSCANGY-RNCFNFMXSA-N -1 1 346.221 2.144 20 0 EEADMM COc1ccc([C@@H](CCO)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001607224230 1351452935 /nfs/dbraw/zinc/45/29/35/1351452935.db2.gz IJOZWZMBKPOYKR-HUUCEWRRSA-N -1 1 345.399 2.138 20 0 EEADMM C[C@@H]1[C@H](O)CCC[N@H+]1Cc1c(Br)cccc1C(=O)[O-] ZINC001607448118 1351496144 /nfs/dbraw/zinc/49/61/44/1351496144.db2.gz KYZIXXMVSMDCDO-NOZJJQNGSA-N -1 1 328.206 2.493 20 0 EEADMM C[C@@H]1[C@H](O)CCCN1Cc1c(Br)cccc1C(=O)[O-] ZINC001607448118 1351496147 /nfs/dbraw/zinc/49/61/47/1351496147.db2.gz KYZIXXMVSMDCDO-NOZJJQNGSA-N -1 1 328.206 2.493 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1C(=O)[O-] ZINC001607486613 1351502549 /nfs/dbraw/zinc/50/25/49/1351502549.db2.gz VLZWAEZVUXPMLC-MCIONIFRSA-N -1 1 334.416 2.138 20 0 EEADMM Cc1cc(C)cc([C@@H](NCc2cc(=O)n3ccccc3n2)C(=O)[O-])c1 ZINC001607625937 1351528329 /nfs/dbraw/zinc/52/83/29/1351528329.db2.gz PZHKVRISPFYZCS-GOSISDBHSA-N -1 1 337.379 2.227 20 0 EEADMM Cc1cc(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)c2c(n1)CCCC2 ZINC001607637485 1351530777 /nfs/dbraw/zinc/53/07/77/1351530777.db2.gz BZVCSFZTWNVWKR-UHFFFAOYSA-N -1 1 326.400 2.290 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@@H](C)CO ZINC001607741274 1351550039 /nfs/dbraw/zinc/55/00/39/1351550039.db2.gz HFDOXKMKRRHBQY-BBRMVZONSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(N(C)C)n1 ZINC001607810764 1351563449 /nfs/dbraw/zinc/56/34/49/1351563449.db2.gz NYERBTZQPIBBKY-UHFFFAOYSA-N -1 1 341.414 2.017 20 0 EEADMM Cc1ccn(C[C@H](C)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001607892278 1351580254 /nfs/dbraw/zinc/58/02/54/1351580254.db2.gz UQCKCFQEEKVGDF-VIFPVBQESA-N -1 1 327.344 2.041 20 0 EEADMM Cc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C2CC2)n1 ZINC001607984022 1351598016 /nfs/dbraw/zinc/59/80/16/1351598016.db2.gz OGVBLVLWFWPSLD-UHFFFAOYSA-N -1 1 333.369 2.161 20 0 EEADMM Cc1nn(C)c2c1N(C(=O)c1ccc3ccc(O)cc3c1[O-])CCO2 ZINC001622794650 1352389059 /nfs/dbraw/zinc/38/90/59/1352389059.db2.gz WDOUKEVBAYBYKU-UHFFFAOYSA-N -1 1 339.351 2.332 20 0 EEADMM O=C(Nc1nnc(-c2ccncc2)s1)c1cnc(C2CC2)[n-]c1=O ZINC001623616121 1352401366 /nfs/dbraw/zinc/40/13/66/1352401366.db2.gz BTTRIRRFBBZLFS-UHFFFAOYSA-N -1 1 340.368 2.225 20 0 EEADMM O=C([N-]c1nc2n(n1)CCCC2)c1cc(-c2cccc(O)c2)on1 ZINC001626425331 1352462399 /nfs/dbraw/zinc/46/23/99/1352462399.db2.gz HXARXDRHIUUCKW-UHFFFAOYSA-N -1 1 325.328 2.227 20 0 EEADMM O=C(NCc1nc(C(F)(F)F)no1)c1ncc2ccccc2c1[O-] ZINC001632648132 1352600025 /nfs/dbraw/zinc/60/00/25/1352600025.db2.gz WSYJGGZSBMLHBP-UHFFFAOYSA-N -1 1 338.245 2.272 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(F)(F)[C@H](CO)C1 ZINC001646219088 1352822264 /nfs/dbraw/zinc/82/22/64/1352822264.db2.gz TXAQCXZNYUJOOQ-NSHDSACASA-N -1 1 337.322 2.341 20 0 EEADMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001647113456 1353148423 /nfs/dbraw/zinc/14/84/23/1353148423.db2.gz AVFPDXLKCOVJDN-SNVBAGLBSA-N -1 1 337.388 2.050 20 0 EEADMM Cc1ccc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1C(=O)[O-] ZINC001647425610 1353272737 /nfs/dbraw/zinc/27/27/37/1353272737.db2.gz TUAPKRIUPHDYQY-AWEZNQCLSA-N -1 1 346.427 2.019 20 0 EEADMM Cc1ccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)cc1C(=O)[O-] ZINC001647425610 1353272738 /nfs/dbraw/zinc/27/27/38/1353272738.db2.gz TUAPKRIUPHDYQY-AWEZNQCLSA-N -1 1 346.427 2.019 20 0 EEADMM Cc1noc(C[N-]S(=O)(=O)c2cccc3c(Cl)ccnc32)n1 ZINC001661838618 1354706554 /nfs/dbraw/zinc/70/65/54/1354706554.db2.gz AZOGYGOLDTZCJB-UHFFFAOYSA-N -1 1 338.776 2.058 20 0 EEADMM CCc1nnc(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)s1 ZINC001663663236 1355013418 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CCOC(=O)NC(=S)[N-]c1ccc2c3c1cccc3C(=O)NC2=O ZINC001195491469 1368543924 /nfs/dbraw/zinc/54/39/24/1368543924.db2.gz ZEESHGKUDLHMCO-UHFFFAOYSA-N -1 1 343.364 2.166 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cc(C(N)=O)c1 ZINC001198869629 1368653338 /nfs/dbraw/zinc/65/33/38/1368653338.db2.gz GSXVUGPNDRJPNT-UHFFFAOYSA-N -1 1 346.364 2.341 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H](C)c1ncc(F)cn1 ZINC001201766148 1368840693 /nfs/dbraw/zinc/84/06/93/1368840693.db2.gz AFSCBCIAHXQCMC-RXMQYKEDSA-N -1 1 336.801 2.074 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CC(=O)c1cccc(F)c1 ZINC001201769589 1368842204 /nfs/dbraw/zinc/84/22/04/1368842204.db2.gz SNGYQLYJNFAGRM-UHFFFAOYSA-N -1 1 348.808 2.405 20 0 EEADMM CC(C)CCCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001071401860 1370503247 /nfs/dbraw/zinc/50/32/47/1370503247.db2.gz GHSBHSNKKZMNQV-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2nc3ccc(Cl)nc3[nH]2)[n-]1 ZINC000797145647 1371508373 /nfs/dbraw/zinc/50/83/73/1371508373.db2.gz 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Cc1[nH]c(CN2CCC[C@@H](Oc3cnccn3)C2)c(C)c1C(=O)[O-] ZINC001140499155 1372588075 /nfs/dbraw/zinc/58/80/75/1372588075.db2.gz OICYLRLIEFLQFV-CYBMUJFWSA-N -1 1 330.388 2.163 20 0 EEADMM [O-]c1c(F)cc(CN2CCN(c3nccc(Cl)n3)CC2)cc1F ZINC001140991188 1372732189 /nfs/dbraw/zinc/73/21/89/1372732189.db2.gz GSBYBBDBEXOOQG-UHFFFAOYSA-N -1 1 340.761 2.436 20 0 EEADMM CC(C)[C@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001362626408 1373439547 /nfs/dbraw/zinc/43/95/47/1373439547.db2.gz KHSMQVSHJGZNQK-QPUJVOFHSA-N -1 1 325.775 2.490 20 0 EEADMM CSc1ccc([O-])c(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)c1 ZINC001362700525 1373452161 /nfs/dbraw/zinc/45/21/61/1373452161.db2.gz AFFKSEAUMXAOCE-UHFFFAOYSA-N -1 1 345.380 2.175 20 0 EEADMM CSc1ncc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c(=O)[n-]1 ZINC001363046095 1373478263 /nfs/dbraw/zinc/47/82/63/1373478263.db2.gz IINSZAZFZRNPMP-LLVKDONJSA-N -1 1 335.389 2.052 20 0 EEADMM O=C(N[C@H]1CCCC12OCCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC001363102146 1373484016 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345.443 2.238 20 0 EEADMM CC[C@@H](CNC(=O)C(C)(C)CC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001375217661 1377502738 /nfs/dbraw/zinc/50/27/38/1377502738.db2.gz LIXXBNGHBITYBU-LBPRGKRZSA-N -1 1 348.447 2.120 20 0 EEADMM CC[C@@H](C)C(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001375411794 1377708323 /nfs/dbraw/zinc/70/83/23/1377708323.db2.gz KXMZJBPZTNRDND-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001376385975 1378510928 /nfs/dbraw/zinc/51/09/28/1378510928.db2.gz QOSFCZKAAHZVIO-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CCC(C)(C)CC1 ZINC001377067514 1378957637 /nfs/dbraw/zinc/95/76/37/1378957637.db2.gz FFXBAYHPWAKVHK-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cc(C)cc(F)c1 ZINC001378438135 1379963586 /nfs/dbraw/zinc/96/35/86/1379963586.db2.gz CQWZUIPKYFGXAH-CQSZACIVSA-N -1 1 349.410 2.036 20 0 EEADMM CN(C(=O)C1CCC(C)(C)CC1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001379058042 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/nfs/dbraw/zinc/67/82/67/1390678267.db2.gz NKGHAOICFFCSCE-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](C)C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001396565975 1390956849 /nfs/dbraw/zinc/95/68/49/1390956849.db2.gz LENGDEHRCIBLDF-MCIONIFRSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001397647425 1391400557 /nfs/dbraw/zinc/40/05/57/1391400557.db2.gz MIGXUYMDWYFAEU-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM CCc1ccccc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001400664268 1396509421 /nfs/dbraw/zinc/50/94/21/1396509421.db2.gz FUWPVOOODMUMNU-UHFFFAOYSA-N -1 1 339.395 2.042 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)C2CCCC2)C1 ZINC001401026984 1396858196 /nfs/dbraw/zinc/85/81/96/1396858196.db2.gz XQBIOUVFJZIURA-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001426684448 1402141126 /nfs/dbraw/zinc/14/11/26/1402141126.db2.gz ALGSEQNKCIONAK-HUUCEWRRSA-N -1 1 345.443 2.286 20 0 EEADMM CCCC1(C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001431914757 1403153999 /nfs/dbraw/zinc/15/39/99/1403153999.db2.gz LXOUEYFXJCYOJO-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(C)c(NC(C)=O)c2)c(=O)[n-]1 ZINC001433614967 1403415059 /nfs/dbraw/zinc/41/50/59/1403415059.db2.gz RMTGSSZPQLGZDB-UHFFFAOYSA-N -1 1 332.385 2.423 20 0 EEADMM CNC(=O)CCOc1ccc(NC(=O)c2c([O-])cccc2OC)cc1 ZINC001433672538 1403422452 /nfs/dbraw/zinc/42/24/52/1403422452.db2.gz HIBNYHIELSXMMV-UHFFFAOYSA-N -1 1 344.367 2.168 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc([O-])cn1 ZINC001433878454 1403441632 /nfs/dbraw/zinc/44/16/32/1403441632.db2.gz YZPBLBAZLYBLHF-ZDUSSCGKSA-N -1 1 326.274 2.269 20 0 EEADMM CCCCC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577399519 1403646039 /nfs/dbraw/zinc/64/60/39/1403646039.db2.gz RJMVAQBGQUVOFD-NSHDSACASA-N -1 1 349.464 2.082 20 0 EEADMM CCCC[C@H](CC)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577458497 1403653938 /nfs/dbraw/zinc/65/39/38/1403653938.db2.gz HQCMMLMRDFGMDE-NSHDSACASA-N -1 1 332.408 2.222 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc3c(c2)CCCN3)c1 ZINC001579230264 1403779638 /nfs/dbraw/zinc/77/96/38/1403779638.db2.gz COUPYMFTGRUBSE-UHFFFAOYSA-N -1 1 348.424 2.237 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1-c1nn[n-]n1 ZINC001580138671 1403834062 /nfs/dbraw/zinc/83/40/62/1403834062.db2.gz NQADQLPQJHIKBW-WDEREUQCSA-N -1 1 342.384 2.074 20 0 EEADMM COc1ncc(NC(=O)c2c(C)cc(F)cc2C)cc1-c1nn[n-]n1 ZINC001580138624 1403834362 /nfs/dbraw/zinc/83/43/62/1403834362.db2.gz LMHZTXLTVZLVFB-UHFFFAOYSA-N -1 1 342.334 2.279 20 0 EEADMM CS[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001580174077 1403841887 /nfs/dbraw/zinc/84/18/87/1403841887.db2.gz AZRKIEKUXXHRHV-CYBMUJFWSA-N -1 1 326.385 2.305 20 0 EEADMM CS[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001580174077 1403841895 /nfs/dbraw/zinc/84/18/95/1403841895.db2.gz AZRKIEKUXXHRHV-CYBMUJFWSA-N -1 1 326.385 2.305 20 0 EEADMM CCCCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001590581874 1403888724 /nfs/dbraw/zinc/88/87/24/1403888724.db2.gz GZKBMGLQSQJALB-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCOC(=O)[C@@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CCCC1 ZINC001590751772 1403894407 /nfs/dbraw/zinc/89/44/07/1403894407.db2.gz ANFIEFBVXSKDRO-ZDUSSCGKSA-N -1 1 348.359 2.047 20 0 EEADMM CCOC(=O)[C@@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CCCC1 ZINC001590751772 1403894414 /nfs/dbraw/zinc/89/44/14/1403894414.db2.gz ANFIEFBVXSKDRO-ZDUSSCGKSA-N -1 1 348.359 2.047 20 0 EEADMM COc1cccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c1OC ZINC001591640486 1403932658 /nfs/dbraw/zinc/93/26/58/1403932658.db2.gz ZALOLICOFDEHBT-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM COc1cccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c1OC ZINC001591640486 1403932662 /nfs/dbraw/zinc/93/26/62/1403932662.db2.gz ZALOLICOFDEHBT-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM COc1cccc(C(C)(C)CNc2ncncc2-c2nn[n-]n2)c1 ZINC001591638610 1403933407 /nfs/dbraw/zinc/93/34/07/1403933407.db2.gz 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1403980817 /nfs/dbraw/zinc/98/08/17/1403980817.db2.gz CQHSMXLHMBILLL-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1nc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)sc1C ZINC001592372766 1404023788 /nfs/dbraw/zinc/02/37/88/1404023788.db2.gz XXRQGPCTOOSUPI-UHFFFAOYSA-N -1 1 347.473 2.328 20 0 EEADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592909686 1404727266 /nfs/dbraw/zinc/72/72/66/1404727266.db2.gz NFIMGXAZELLQAZ-UHFFFAOYSA-N -1 1 337.318 2.063 20 0 EEADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592909686 1404727269 /nfs/dbraw/zinc/72/72/69/1404727269.db2.gz NFIMGXAZELLQAZ-UHFFFAOYSA-N -1 1 337.318 2.063 20 0 EEADMM O=C(NCCOC1CCCCCC1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593096646 1404742321 /nfs/dbraw/zinc/74/23/21/1404742321.db2.gz PMNKHNASQZOUNV-UHFFFAOYSA-N -1 1 345.407 2.123 20 0 EEADMM O=C(NCCOC1CCCCCC1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593096646 1404742325 /nfs/dbraw/zinc/74/23/25/1404742325.db2.gz PMNKHNASQZOUNV-UHFFFAOYSA-N -1 1 345.407 2.123 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001605699385 1404750179 /nfs/dbraw/zinc/75/01/79/1404750179.db2.gz DZCWADUFYPLUCO-CQSZACIVSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001605699385 1404750181 /nfs/dbraw/zinc/75/01/81/1404750181.db2.gz DZCWADUFYPLUCO-CQSZACIVSA-N -1 1 335.415 2.285 20 0 EEADMM Clc1ccc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001606192680 1404775990 /nfs/dbraw/zinc/77/59/90/1404775990.db2.gz DSAQZVJSQIJNHC-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001606192680 1404775996 /nfs/dbraw/zinc/77/59/96/1404775996.db2.gz DSAQZVJSQIJNHC-AWEZNQCLSA-N -1 1 342.790 2.493 20 0 EEADMM CC(C)Oc1ncccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001645766144 1404847021 /nfs/dbraw/zinc/84/70/21/1404847021.db2.gz YYVMGABSXILQKU-UHFFFAOYSA-N -1 1 331.324 2.320 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCCc2c(F)cccc2Cl)n1 ZINC000119595850 1404912154 /nfs/dbraw/zinc/91/21/54/1404912154.db2.gz HFMRKQHAGCHSNV-UHFFFAOYSA-N -1 1 339.758 2.147 20 0 EEADMM CCC[C@@H](N[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000185048674 1406054681 /nfs/dbraw/zinc/05/46/81/1406054681.db2.gz VDUQATMMKSUGCI-WCQYABFASA-N -1 1 349.456 2.486 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@@H]1CC=CCC1 ZINC001756445030 1408496540 /nfs/dbraw/zinc/49/65/40/1408496540.db2.gz DIEQSGJKCRKPAX-UONOGXRCSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CC(C2CC2)C2CC2)C1 ZINC001771848888 1409964621 /nfs/dbraw/zinc/96/46/21/1409964621.db2.gz UUBUUDVOHGEJJK-OAHLLOKOSA-N -1 1 332.366 2.482 20 0 EEADMM CC(C)c1ncc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)[nH]1 ZINC001771917941 1409979310 /nfs/dbraw/zinc/97/93/10/1409979310.db2.gz GBZCADRVYNLIQC-UHFFFAOYSA-N -1 1 331.372 2.269 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC001771926180 1409981720 /nfs/dbraw/zinc/98/17/20/1409981720.db2.gz ZOQBPOMXFWDROI-KSLSZTMCSA-N -1 1 337.427 2.478 20 0 EEADMM COc1cccc([C@@H]2CN(C(=O)c3c(F)ccc([O-])c3F)CCN2)c1 ZINC001772094628 1410041204 /nfs/dbraw/zinc/04/12/04/1410041204.db2.gz DHUCOPFUECIBDP-AWEZNQCLSA-N -1 1 348.349 2.466 20 0 EEADMM COc1ccc(S(N)(=O)=O)cc1NCc1cccc([O-])c1Cl ZINC000393306438 1410210455 /nfs/dbraw/zinc/21/04/55/1410210455.db2.gz UUTCAQKDQVIIDE-UHFFFAOYSA-N -1 1 342.804 2.314 20 0 EEADMM CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)n1 ZINC000864329627 1410460377 /nfs/dbraw/zinc/46/03/77/1410460377.db2.gz XZIMSXOXXBLBIH-NEPJUHHUSA-N -1 1 346.435 2.305 20 0 EEADMM C[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087201346 760283945 /nfs/dbraw/zinc/28/39/45/760283945.db2.gz MIPGNNMGMKTJQZ-HZSPNIEDSA-N -1 1 349.479 2.053 20 0 EEADMM CCc1cc(C)nc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536308 761713441 /nfs/dbraw/zinc/71/34/41/761713441.db2.gz LXVKKEZOHNKFFM-LBPRGKRZSA-N -1 1 329.404 2.021 20 0 EEADMM CC[C@H](CNC(=O)N[C@H](C(=O)[O-])C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000780390579 769131381 /nfs/dbraw/zinc/13/13/81/769131381.db2.gz GKQSJVBIGVGITM-SJORKVTESA-N -1 1 347.459 2.232 20 0 EEADMM O=C(CC1=CCCCC1)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979664526 770806183 /nfs/dbraw/zinc/80/61/83/770806183.db2.gz LYPJJTXXJNMLFD-SHTZXODSSA-N -1 1 343.427 2.302 20 0 EEADMM COCc1nc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cs1 ZINC000920902611 770905777 /nfs/dbraw/zinc/90/57/77/770905777.db2.gz FRFSGOUFJUBZMP-UHFFFAOYSA-N -1 1 347.348 2.459 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC000942751715 783112291 /nfs/dbraw/zinc/11/22/91/783112291.db2.gz HAZGGOSJMVFBQR-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000938807722 774699469 /nfs/dbraw/zinc/69/94/69/774699469.db2.gz ZDRWRVLXTUSJTN-CHWSQXEVSA-N -1 1 333.432 2.142 20 0 EEADMM Cc1nc(C)c(CN2CCCN(C(=O)c3ncccc3[O-])CC2)s1 ZINC000981026643 776401353 /nfs/dbraw/zinc/40/13/53/776401353.db2.gz HPBFGKDFGQXAPC-UHFFFAOYSA-N -1 1 346.456 2.209 20 0 EEADMM Cc1cc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)nc(C2CC2)n1 ZINC001058879095 777136064 /nfs/dbraw/zinc/13/60/64/777136064.db2.gz MWVKUNOQRMVFMZ-ZDUSSCGKSA-N -1 1 339.399 2.090 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000946279360 790695090 /nfs/dbraw/zinc/69/50/90/790695090.db2.gz YZIYCHUVCQCPSF-JSGCOSHPSA-N -1 1 345.443 2.238 20 0 EEADMM CCC(C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936967059 780617681 /nfs/dbraw/zinc/61/76/81/780617681.db2.gz JCBUCMQEELRACT-STQMWFEESA-N -1 1 331.416 2.039 20 0 EEADMM [NH3+]CCc1ccccc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167940433 781038748 /nfs/dbraw/zinc/03/87/48/781038748.db2.gz WETJLJFCHSRNCK-UHFFFAOYSA-N -1 1 332.340 2.273 20 0 EEADMM O=C(N[C@H]1CC[C@H](Nc2cccc(F)n2)CC1)c1ncccc1[O-] ZINC001063365526 790852728 /nfs/dbraw/zinc/85/27/28/790852728.db2.gz XJQCCUOUJJXEQX-HAQNSBGRSA-N -1 1 330.363 2.474 20 0 EEADMM CN(C)C(=O)c1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)ccc1F ZINC001211849082 781323177 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EEADMM O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000816497995 784068380 /nfs/dbraw/zinc/06/83/80/784068380.db2.gz BLMGSLOHYJJNAP-CQSZACIVSA-N -1 1 343.383 2.049 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c1 ZINC000816859031 784298414 /nfs/dbraw/zinc/29/84/14/784298414.db2.gz KOXJPERNTYGZQH-WDNDVIMCSA-N -1 1 348.399 2.050 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000945660080 784580894 /nfs/dbraw/zinc/58/08/94/784580894.db2.gz WAIKIVDAFBKDTJ-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478772 784648299 /nfs/dbraw/zinc/64/82/99/784648299.db2.gz ZHTZYRFOBWKSNK-STQMWFEESA-N -1 1 349.485 2.387 20 0 EEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000907840050 784922301 /nfs/dbraw/zinc/92/23/01/784922301.db2.gz YOZCDIPRJGBWQP-VIFPVBQESA-N -1 1 339.360 2.473 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC000945831297 784935367 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COC[C@H]1CCCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000824370229 800262758 /nfs/dbraw/zinc/26/27/58/800262758.db2.gz OAAPUCZJIPSGKR-ZDUSSCGKSA-N -1 1 330.388 2.468 20 0 EEADMM COc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])cc1 ZINC001085562759 800789650 /nfs/dbraw/zinc/78/96/50/800789650.db2.gz UIUKVBMFZJOALR-OAHLLOKOSA-N -1 1 341.411 2.142 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)CCc1cccc2cnccc21 ZINC001182394584 801161258 /nfs/dbraw/zinc/16/12/58/801161258.db2.gz BCVMSDBEPYYFNQ-UHFFFAOYSA-N -1 1 339.311 2.405 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)CCC(=O)OC2CCCCC2)[n-]1 ZINC001182898071 801391113 /nfs/dbraw/zinc/39/11/13/801391113.db2.gz HWFLSOFFEGVWRN-UHFFFAOYSA-N -1 1 337.376 2.181 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)CCC(=O)OC2CCCCC2)n1 ZINC001182898071 801391122 /nfs/dbraw/zinc/39/11/22/801391122.db2.gz HWFLSOFFEGVWRN-UHFFFAOYSA-N -1 1 337.376 2.181 20 0 EEADMM CSc1nc(NC(=O)C(=O)Cc2c[nH]c3ccccc23)cc(=O)[n-]1 ZINC001183095724 801472061 /nfs/dbraw/zinc/47/20/61/801472061.db2.gz 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Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H](C)O)c2)c1 ZINC000791484860 809263299 /nfs/dbraw/zinc/26/32/99/809263299.db2.gz XUYLSYKUPRKOOR-ZDUSSCGKSA-N -1 1 349.408 2.333 20 0 EEADMM Cc1cccc2nc(N(C)[C@H](C)CNC(=O)c3ncccc3[O-])oc21 ZINC001113574998 809273822 /nfs/dbraw/zinc/27/38/22/809273822.db2.gz KZURCTZBMLIACT-GFCCVEGCSA-N -1 1 340.383 2.492 20 0 EEADMM Cc1cnc([C@H](C)NCCCC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001170187569 809804936 /nfs/dbraw/zinc/80/49/36/809804936.db2.gz BOSQULZAAUTKES-GWCFXTLKSA-N -1 1 349.435 2.360 20 0 EEADMM O=C(NC1(CNc2ncccn2)CCCCC1)c1ncccc1[O-] ZINC001114156779 810491058 /nfs/dbraw/zinc/49/10/58/810491058.db2.gz FPJMLXSKWPOACX-UHFFFAOYSA-N -1 1 327.388 2.122 20 0 EEADMM CCOC(=O)COCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000805446173 811295158 /nfs/dbraw/zinc/29/51/58/811295158.db2.gz HTUBYMAECRTJRM-UHFFFAOYSA-N -1 1 337.155 2.436 20 0 EEADMM CC(C)[C@@H](OC(=O)c1cn[n-]n1)C(=O)N1CCSc2ccccc21 ZINC000805605757 811371247 /nfs/dbraw/zinc/37/12/47/811371247.db2.gz 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/nfs/dbraw/zinc/80/58/99/812805899.db2.gz CWZAZFATMGPIKK-GHMZBOCLSA-N -1 1 333.388 2.422 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902855093 939288171 /nfs/dbraw/zinc/28/81/71/939288171.db2.gz TWMNOWSRANTXQA-ZWZTZDBGSA-N -1 1 331.347 2.157 20 0 EEADMM Brc1ccc2c(c1)CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573279790 946649582 /nfs/dbraw/zinc/64/95/82/946649582.db2.gz NCNRMHAEPUOGCI-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573279790 946649590 /nfs/dbraw/zinc/64/95/90/946649590.db2.gz NCNRMHAEPUOGCI-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Cc1onc(CC(=O)N(CC(C)C)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826343932 947996693 /nfs/dbraw/zinc/99/66/93/947996693.db2.gz REJSVAXPBBKLPD-UHFFFAOYSA-N -1 1 334.424 2.236 20 0 EEADMM Cc1onc(CC(=O)N(CC(C)C)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826343932 947996702 /nfs/dbraw/zinc/99/67/02/947996702.db2.gz REJSVAXPBBKLPD-UHFFFAOYSA-N -1 1 334.424 2.236 20 0 EEADMM Cc1onc(CC(=O)NCC2CCCCCCC2)c1-c1nnn[n-]1 ZINC000826347156 948050092 /nfs/dbraw/zinc/05/00/92/948050092.db2.gz GSVYHDYPKXQKOO-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM Cc1onc(CC(=O)NCC2CCCCCCC2)c1-c1nn[n-]n1 ZINC000826347156 948050096 /nfs/dbraw/zinc/05/00/96/948050096.db2.gz GSVYHDYPKXQKOO-UHFFFAOYSA-N -1 1 332.408 2.182 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000826395356 948205721 /nfs/dbraw/zinc/20/57/21/948205721.db2.gz XTYNZRGKHGZXKK-UHFFFAOYSA-N -1 1 343.313 2.044 20 0 EEADMM O=C(OCCCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826463636 948356101 /nfs/dbraw/zinc/35/61/01/948356101.db2.gz NOVTUDIUMAIEIX-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCCCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826463636 948356111 /nfs/dbraw/zinc/35/61/11/948356111.db2.gz NOVTUDIUMAIEIX-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001570926813 948697840 /nfs/dbraw/zinc/69/78/40/948697840.db2.gz FTMXXNDLKBFJHY-UONOGXRCSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001570926813 948697844 /nfs/dbraw/zinc/69/78/44/948697844.db2.gz FTMXXNDLKBFJHY-UONOGXRCSA-N -1 1 326.404 2.094 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001570933076 948873443 /nfs/dbraw/zinc/87/34/43/948873443.db2.gz CVDBCDAUHVDQTA-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001570933076 948873464 /nfs/dbraw/zinc/87/34/64/948873464.db2.gz CVDBCDAUHVDQTA-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM CC(C)[C@@H]1CCc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574099193 949175447 /nfs/dbraw/zinc/17/54/47/949175447.db2.gz JJLXMSFSQQIQIQ-BBRMVZONSA-N -1 1 335.415 2.450 20 0 EEADMM CCOc1cccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001570945408 949478183 /nfs/dbraw/zinc/47/81/83/949478183.db2.gz YAYRJPBWLSQRDA-UHFFFAOYSA-N -1 1 346.297 2.191 20 0 EEADMM CCOc1cccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001570945408 949478192 /nfs/dbraw/zinc/47/81/92/949478192.db2.gz YAYRJPBWLSQRDA-UHFFFAOYSA-N -1 1 346.297 2.191 20 0 EEADMM C[C@@H](COc1ccc(F)cc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001570949298 949637608 /nfs/dbraw/zinc/63/76/08/949637608.db2.gz UGSZXGFMWMWIKR-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](COc1ccc(F)cc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001570949298 949637618 /nfs/dbraw/zinc/63/76/18/949637618.db2.gz UGSZXGFMWMWIKR-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)[C@@H](C)C(=O)[O-] ZINC001589704495 950266821 /nfs/dbraw/zinc/26/68/21/950266821.db2.gz AVDPCJLCPFBQHS-JTQLQIEISA-N -1 1 347.371 2.029 20 0 EEADMM CC(C)(CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC001573900172 950996505 /nfs/dbraw/zinc/99/65/05/950996505.db2.gz SRWDNWFGGLQHQW-UHFFFAOYSA-N -1 1 342.325 2.247 20 0 EEADMM CC(C)(CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC001573900172 950996522 /nfs/dbraw/zinc/99/65/22/950996522.db2.gz SRWDNWFGGLQHQW-UHFFFAOYSA-N -1 1 342.325 2.247 20 0 EEADMM 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Clc1ccccc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737583409 578265641 /nfs/dbraw/zinc/26/56/41/578265641.db2.gz KLBWDCBHBWXOIH-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Cn1cc([C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000737604585 578266492 /nfs/dbraw/zinc/26/64/92/578266492.db2.gz HIARKEBBQKCVDO-QMMMGPOBSA-N -1 1 336.812 2.052 20 0 EEADMM Cn1cc([C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000737604585 578266493 /nfs/dbraw/zinc/26/64/93/578266493.db2.gz HIARKEBBQKCVDO-QMMMGPOBSA-N -1 1 336.812 2.052 20 0 EEADMM CC(C)[C@H](CNc1c2ccccc2nnc1C(=O)[O-])N1CCOCC1 ZINC000737613595 578266776 /nfs/dbraw/zinc/26/67/76/578266776.db2.gz WVISERNKUCCNCZ-HNNXBMFYSA-N -1 1 344.415 2.097 20 0 EEADMM C[C@@H](Oc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000820535590 599035983 /nfs/dbraw/zinc/03/59/83/599035983.db2.gz PHIMOJJGVKYOFK-SECBINFHSA-N -1 1 343.318 2.051 20 0 EEADMM C[C@@H](Oc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000820535590 599035986 /nfs/dbraw/zinc/03/59/86/599035986.db2.gz PHIMOJJGVKYOFK-SECBINFHSA-N -1 1 343.318 2.051 20 0 EEADMM COCCSCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821694361 599352225 /nfs/dbraw/zinc/35/22/25/599352225.db2.gz JUYAOBJZFUNJKS-UHFFFAOYSA-N -1 1 330.417 2.240 20 0 EEADMM CNC(=O)c1ccc(C)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821635190 607312424 /nfs/dbraw/zinc/31/24/24/607312424.db2.gz QKRJGFHXOPMUTM-UHFFFAOYSA-N -1 1 328.401 2.208 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000818373975 597513604 /nfs/dbraw/zinc/51/36/04/597513604.db2.gz GCVNULCLGHDDMX-GXTWGEPZSA-N -1 1 339.823 2.059 20 0 EEADMM Cc1ccc([C@H]2CC(=O)N(CN3CCC[C@@H](CC(=O)[O-])C3)C2)cc1 ZINC000821075577 597759297 /nfs/dbraw/zinc/75/92/97/597759297.db2.gz BKMPYINOGAWSKK-RDJZCZTQSA-N -1 1 330.428 2.455 20 0 EEADMM c1cc(N[C@H]2CCOC3(CCSCC3)C2)nc(-c2nnn[n-]2)c1 ZINC000823757680 607331422 /nfs/dbraw/zinc/33/14/22/607331422.db2.gz SYGGHRLVOZIWSY-NSHDSACASA-N -1 1 332.433 2.118 20 0 EEADMM c1cc(N[C@H]2CCOC3(CCSCC3)C2)nc(-c2nn[n-]n2)c1 ZINC000823757680 607331423 /nfs/dbraw/zinc/33/14/23/607331423.db2.gz SYGGHRLVOZIWSY-NSHDSACASA-N -1 1 332.433 2.118 20 0 EEADMM CC(=O)N(c1nc(CN[C@@H](CC(C)C)C(=O)[O-])cs1)C1CC1 ZINC000819730906 598209001 /nfs/dbraw/zinc/20/90/01/598209001.db2.gz ANGDBBNJMPDQGE-ZDUSSCGKSA-N -1 1 325.434 2.247 20 0 EEADMM CC(C)[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nc(C2CC2)no1 ZINC000820025847 599438838 /nfs/dbraw/zinc/43/88/38/599438838.db2.gz DIWDIDIMSPNCDL-LBPRGKRZSA-N -1 1 329.364 2.207 20 0 EEADMM CC(C)[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nc(C2CC2)no1 ZINC000820025847 599438839 /nfs/dbraw/zinc/43/88/39/599438839.db2.gz DIWDIDIMSPNCDL-LBPRGKRZSA-N -1 1 329.364 2.207 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCOC3(CCCCC3)C2)cc1 ZINC000833322134 600834997 /nfs/dbraw/zinc/83/49/97/600834997.db2.gz XBODOOVXMWEDKF-MRXNPFEDSA-N -1 1 349.427 2.160 20 0 EEADMM Cc1nsc(N2CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)n1 ZINC000821248234 600846745 /nfs/dbraw/zinc/84/67/45/600846745.db2.gz JWGIPONNMJBEOY-UHFFFAOYSA-N -1 1 332.429 2.257 20 0 EEADMM CN(C)c1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113250490 600980092 /nfs/dbraw/zinc/98/00/92/600980092.db2.gz GUSQZFWZOIVNQJ-UHFFFAOYSA-N -1 1 326.399 2.313 20 0 EEADMM CCN(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])C1CCCCC1 ZINC000316926151 601025266 /nfs/dbraw/zinc/02/52/66/601025266.db2.gz DSWJBJSYJMJYQV-AWEZNQCLSA-N -1 1 328.478 2.060 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000827374710 601124029 /nfs/dbraw/zinc/12/40/29/601124029.db2.gz KZWRWWRMRWXKNY-JTQLQIEISA-N -1 1 338.433 2.033 20 0 EEADMM CCCOc1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000829541127 601127607 /nfs/dbraw/zinc/12/76/07/601127607.db2.gz BGKMAZSMONLYSB-AWEZNQCLSA-N -1 1 349.431 2.488 20 0 EEADMM COc1c(C)ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C ZINC000831847732 601128344 /nfs/dbraw/zinc/12/83/44/601128344.db2.gz SCHPXSWVWOHIEO-CYBMUJFWSA-N -1 1 349.431 2.325 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000828716996 601328982 /nfs/dbraw/zinc/32/89/82/601328982.db2.gz IFIVDROHJMDFLG-DNUAJFIVSA-N -1 1 332.444 2.480 20 0 EEADMM Cc1nc(NS(=O)(=O)c2ccc3ncccc3c2)sc1C(=O)[O-] ZINC000833002971 601359331 /nfs/dbraw/zinc/35/93/31/601359331.db2.gz JQDJTCPWSWNXMH-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(Nc3cccnn3)CC2)cc1F ZINC000833313483 601630212 /nfs/dbraw/zinc/63/02/12/601630212.db2.gz WVFGLXOFPGBJSV-UHFFFAOYSA-N -1 1 330.363 2.390 20 0 EEADMM O=C(CSc1n[nH]c(=S)s1)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000833115717 601787851 /nfs/dbraw/zinc/78/78/51/601787851.db2.gz CWAVZSYLPZHWSQ-VIFPVBQESA-N -1 1 347.487 2.069 20 0 EEADMM C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[C@](C)(C(=O)[O-])C1 ZINC000827967056 601937972 /nfs/dbraw/zinc/93/79/72/601937972.db2.gz YTLQBTLKPHGFLL-DIFFPNOSSA-N -1 1 342.403 2.055 20 0 EEADMM CCCc1nc([C@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)n[nH]1 ZINC000829571769 601960076 /nfs/dbraw/zinc/96/00/76/601960076.db2.gz WAEHFQMHTDJESU-LLVKDONJSA-N -1 1 336.417 2.090 20 0 EEADMM CCCc1n[nH]c([C@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)n1 ZINC000829571769 601960079 /nfs/dbraw/zinc/96/00/79/601960079.db2.gz WAEHFQMHTDJESU-LLVKDONJSA-N -1 1 336.417 2.090 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832970032 602030575 /nfs/dbraw/zinc/03/05/75/602030575.db2.gz SDSLYPYGVBDSML-GJZGRUSLSA-N -1 1 341.411 2.198 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000819557453 602078883 /nfs/dbraw/zinc/07/88/83/602078883.db2.gz QVFNDJHWTXZKPV-UHFFFAOYSA-N -1 1 341.439 2.185 20 0 EEADMM CCOc1ncccc1CN[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000830123025 602165555 /nfs/dbraw/zinc/16/55/55/602165555.db2.gz QBLMLKXSJDSQGF-INIZCTEOSA-N -1 1 346.383 2.413 20 0 EEADMM CC(C)N(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824288349 607584638 /nfs/dbraw/zinc/58/46/38/607584638.db2.gz DIIREBUURKNXLS-UHFFFAOYSA-N -1 1 341.824 2.082 20 0 EEADMM CC(C)C(C)(C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824190910 607605779 /nfs/dbraw/zinc/60/57/79/607605779.db2.gz 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ZINC000833238506 604331196 /nfs/dbraw/zinc/33/11/96/604331196.db2.gz DMOMXFPUYXKHQO-CQSZACIVSA-N -1 1 344.371 2.462 20 0 EEADMM O=C([O-])NCc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000833282319 604339314 /nfs/dbraw/zinc/33/93/14/604339314.db2.gz VBXLOSHNJPMODI-ZDUSSCGKSA-N -1 1 329.360 2.376 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(CCCCCO)CC1 ZINC000833173615 604358113 /nfs/dbraw/zinc/35/81/13/604358113.db2.gz SQIGGAYUIHSOGP-MRXNPFEDSA-N -1 1 340.851 2.246 20 0 EEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000827005877 604433536 /nfs/dbraw/zinc/43/35/36/604433536.db2.gz GQHNSZRICMTERL-OAHLLOKOSA-N -1 1 349.362 2.166 20 0 EEADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000062947017 604889466 /nfs/dbraw/zinc/88/94/66/604889466.db2.gz XUWPETXWVCNCHI-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])[C@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccnc1 ZINC000833170833 605005138 /nfs/dbraw/zinc/00/51/38/605005138.db2.gz SYLIGGURBLHOPK-OAHLLOKOSA-N -1 1 326.356 2.239 20 0 EEADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000833628930 605106509 /nfs/dbraw/zinc/10/65/09/605106509.db2.gz CMVNHNDLNHTNKS-DGCLKSJQSA-N -1 1 337.420 2.448 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833507405 605107654 /nfs/dbraw/zinc/10/76/54/605107654.db2.gz LBQRCJGPVGWMGJ-HNNXBMFYSA-N -1 1 348.443 2.024 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(Cc2ccccc2)CC1 ZINC000833618506 605154926 /nfs/dbraw/zinc/15/49/26/605154926.db2.gz BRBUYGKSEVJYPI-HNNXBMFYSA-N -1 1 330.428 2.017 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCC2(C(=O)[O-])CCCCC2)C[C@@H]1C ZINC000833658589 605435661 /nfs/dbraw/zinc/43/56/61/605435661.db2.gz UEFOUOVUMVZXQC-UONOGXRCSA-N -1 1 325.453 2.146 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823082658 606196029 /nfs/dbraw/zinc/19/60/29/606196029.db2.gz ONEMHJSCMBWINI-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1Cc2ccccc2S1 ZINC000823294522 606197457 /nfs/dbraw/zinc/19/74/57/606197457.db2.gz FNPWTNUBLMYTIL-AWEZNQCLSA-N -1 1 339.380 2.228 20 0 EEADMM CC1(C)CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC000820607343 606230214 /nfs/dbraw/zinc/23/02/14/606230214.db2.gz REZPDEUAIIEICE-UHFFFAOYSA-N -1 1 327.417 2.142 20 0 EEADMM CC1(C)CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC000820607343 606230215 /nfs/dbraw/zinc/23/02/15/606230215.db2.gz REZPDEUAIIEICE-UHFFFAOYSA-N -1 1 327.417 2.142 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2cc(F)ccc2s1 ZINC000823290034 606533405 /nfs/dbraw/zinc/53/34/05/606533405.db2.gz RZZVCODWXYIYIK-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2cc(F)ccc2s1 ZINC000823290034 606533407 /nfs/dbraw/zinc/53/34/07/606533407.db2.gz RZZVCODWXYIYIK-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM Cn1cc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C(C)(C)C)cn1 ZINC000822669287 606548968 /nfs/dbraw/zinc/54/89/68/606548968.db2.gz INVJSQVOHBFSCD-LBPRGKRZSA-N -1 1 345.432 2.179 20 0 EEADMM Cn1cc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C(C)(C)C)cn1 ZINC000822669287 606548969 /nfs/dbraw/zinc/54/89/69/606548969.db2.gz INVJSQVOHBFSCD-LBPRGKRZSA-N -1 1 345.432 2.179 20 0 EEADMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822280617 606549312 /nfs/dbraw/zinc/54/93/12/606549312.db2.gz UDQLDIFRNFMDJA-NSHDSACASA-N -1 1 341.396 2.409 20 0 EEADMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822280617 606549314 /nfs/dbraw/zinc/54/93/14/606549314.db2.gz UDQLDIFRNFMDJA-NSHDSACASA-N -1 1 341.396 2.409 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823482910 606551774 /nfs/dbraw/zinc/55/17/74/606551774.db2.gz BVXRXVOXQBKYTM-ZJUUUORDSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@H]2CCCC[C@H]21 ZINC000823482910 606551776 /nfs/dbraw/zinc/55/17/76/606551776.db2.gz BVXRXVOXQBKYTM-ZJUUUORDSA-N -1 1 335.458 2.428 20 0 EEADMM CCO[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821347200 606647064 /nfs/dbraw/zinc/64/70/64/606647064.db2.gz SRHNMBUNKCECBS-HNNXBMFYSA-N -1 1 339.355 2.083 20 0 EEADMM CCO[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821347200 606647065 /nfs/dbraw/zinc/64/70/65/606647065.db2.gz SRHNMBUNKCECBS-HNNXBMFYSA-N -1 1 339.355 2.083 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822009876 606647417 /nfs/dbraw/zinc/64/74/17/606647417.db2.gz GDSGNHWFGVVKRW-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822009876 606647418 /nfs/dbraw/zinc/64/74/18/606647418.db2.gz GDSGNHWFGVVKRW-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525290 606744490 /nfs/dbraw/zinc/74/44/90/606744490.db2.gz KXZOGPKWTLCFLD-GHMZBOCLSA-N -1 1 345.428 2.292 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000823525290 606744492 /nfs/dbraw/zinc/74/44/92/606744492.db2.gz KXZOGPKWTLCFLD-GHMZBOCLSA-N -1 1 345.428 2.292 20 0 EEADMM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820005678 607023232 /nfs/dbraw/zinc/02/32/32/607023232.db2.gz WBGHMOGKCCGJKU-UHFFFAOYSA-N -1 1 348.363 2.258 20 0 EEADMM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820005678 607023233 /nfs/dbraw/zinc/02/32/33/607023233.db2.gz WBGHMOGKCCGJKU-UHFFFAOYSA-N -1 1 348.363 2.258 20 0 EEADMM COc1ccc(SCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821846504 607023575 /nfs/dbraw/zinc/02/35/75/607023575.db2.gz SZOAVLOCDDTBOZ-UHFFFAOYSA-N -1 1 348.413 2.063 20 0 EEADMM COc1ccc(SCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821846504 607023577 /nfs/dbraw/zinc/02/35/77/607023577.db2.gz SZOAVLOCDDTBOZ-UHFFFAOYSA-N -1 1 348.413 2.063 20 0 EEADMM Cc1cccc(CS(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826298574 607867646 /nfs/dbraw/zinc/86/76/46/607867646.db2.gz ZOSSXXLCDHBOSM-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM Cc1cccc(CS(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826298574 607867647 /nfs/dbraw/zinc/86/76/47/607867647.db2.gz ZOSSXXLCDHBOSM-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM Cc1ccccc1OC[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307671 607874198 /nfs/dbraw/zinc/87/41/98/607874198.db2.gz RSVOFMIPRFQCJT-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1ccccc1OC[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307671 607874199 /nfs/dbraw/zinc/87/41/99/607874199.db2.gz RSVOFMIPRFQCJT-LBPRGKRZSA-N -1 1 344.346 2.133 20 0 EEADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000826003983 607900010 /nfs/dbraw/zinc/90/00/10/607900010.db2.gz CWDITYGPHRHYGH-OAHLLOKOSA-N -1 1 335.415 2.367 20 0 EEADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000826003983 607900011 /nfs/dbraw/zinc/90/00/11/607900011.db2.gz CWDITYGPHRHYGH-OAHLLOKOSA-N -1 1 335.415 2.367 20 0 EEADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)[C@H](O)c1c(F)cccc1F ZINC000825149368 607900740 /nfs/dbraw/zinc/90/07/40/607900740.db2.gz XKYVPICXGWGGHT-NHYWBVRUSA-N -1 1 346.341 2.464 20 0 EEADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)[C@H](O)c1c(F)cccc1F ZINC000825149368 607900741 /nfs/dbraw/zinc/90/07/41/607900741.db2.gz XKYVPICXGWGGHT-NHYWBVRUSA-N -1 1 346.341 2.464 20 0 EEADMM Cc1nc(-c2ccc(C)c(NCc3ccc(-c4nnn[n-]4)o3)c2)n[nH]1 ZINC000826322223 607910830 /nfs/dbraw/zinc/91/08/30/607910830.db2.gz CYWBNBDDTGIALF-UHFFFAOYSA-N -1 1 336.359 2.474 20 0 EEADMM Cc1nc(-c2ccc(C)c(NCc3ccc(-c4nn[n-]n4)o3)c2)n[nH]1 ZINC000826322223 607910831 /nfs/dbraw/zinc/91/08/31/607910831.db2.gz CYWBNBDDTGIALF-UHFFFAOYSA-N -1 1 336.359 2.474 20 0 EEADMM Cn1nccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826366705 607930557 /nfs/dbraw/zinc/93/05/57/607930557.db2.gz UPZMEMHNFIFFTI-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1nccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826366705 607930558 /nfs/dbraw/zinc/93/05/58/607930558.db2.gz UPZMEMHNFIFFTI-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824970893 608102584 /nfs/dbraw/zinc/10/25/84/608102584.db2.gz YRLKNZIBHXCXDF-BDJLRTHQSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824970893 608102585 /nfs/dbraw/zinc/10/25/85/608102585.db2.gz YRLKNZIBHXCXDF-BDJLRTHQSA-N -1 1 334.383 2.315 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc(Cl)c1F ZINC000826450871 608171325 /nfs/dbraw/zinc/17/13/25/608171325.db2.gz HIKGLWCEVOQUHO-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC000826152203 608299240 /nfs/dbraw/zinc/29/92/40/608299240.db2.gz SXADZIABPBJGDZ-ZDUSSCGKSA-N -1 1 332.314 2.340 20 0 EEADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC000826152203 608299241 /nfs/dbraw/zinc/29/92/41/608299241.db2.gz SXADZIABPBJGDZ-ZDUSSCGKSA-N -1 1 332.314 2.340 20 0 EEADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826507686 608305812 /nfs/dbraw/zinc/30/58/12/608305812.db2.gz UPAURGQKOFHLGX-NSHDSACASA-N -1 1 348.769 2.070 20 0 EEADMM OC[C@H](Cc1ccc(F)cc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826507686 608305813 /nfs/dbraw/zinc/30/58/13/608305813.db2.gz UPAURGQKOFHLGX-NSHDSACASA-N -1 1 348.769 2.070 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826521087 608405949 /nfs/dbraw/zinc/40/59/49/608405949.db2.gz ZGYGHOLZXAVSJM-XJKSGUPXSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826521087 608405951 /nfs/dbraw/zinc/40/59/51/608405951.db2.gz ZGYGHOLZXAVSJM-XJKSGUPXSA-N -1 1 337.387 2.237 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826287647 608408556 /nfs/dbraw/zinc/40/85/56/608408556.db2.gz XHGFBUJLPNEKJX-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826287647 608408557 /nfs/dbraw/zinc/40/85/57/608408557.db2.gz XHGFBUJLPNEKJX-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM c1ccc(SC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826522720 608417789 /nfs/dbraw/zinc/41/77/89/608417789.db2.gz LSBJVSYKAFXNLE-UHFFFAOYSA-N -1 1 325.401 2.394 20 0 EEADMM c1ccc(SC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826522720 608417791 /nfs/dbraw/zinc/41/77/91/608417791.db2.gz LSBJVSYKAFXNLE-UHFFFAOYSA-N -1 1 325.401 2.394 20 0 EEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824899509 608421096 /nfs/dbraw/zinc/42/10/96/608421096.db2.gz KNNWKBKLHOJSMO-PWSUYJOCSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824899509 608421098 /nfs/dbraw/zinc/42/10/98/608421098.db2.gz KNNWKBKLHOJSMO-PWSUYJOCSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824899770 608424169 /nfs/dbraw/zinc/42/41/69/608424169.db2.gz OCRKBDMTDPLUSL-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824899770 608424171 /nfs/dbraw/zinc/42/41/71/608424171.db2.gz OCRKBDMTDPLUSL-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582421 608427612 /nfs/dbraw/zinc/42/76/12/608427612.db2.gz KTQSPXPPQHCAJZ-ZIAGYGMSSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582421 608427614 /nfs/dbraw/zinc/42/76/14/608427614.db2.gz KTQSPXPPQHCAJZ-ZIAGYGMSSA-N -1 1 343.435 2.221 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826353634 608430586 /nfs/dbraw/zinc/43/05/86/608430586.db2.gz XPDRKGVYJGKHKZ-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826353634 608430588 /nfs/dbraw/zinc/43/05/88/608430588.db2.gz XPDRKGVYJGKHKZ-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM COc1ccc(OCCCNc2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826211680 608544135 /nfs/dbraw/zinc/54/41/35/608544135.db2.gz PHFHKWBSDRHVBB-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM CC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)Cc2ccccc2C1 ZINC000824822665 608763307 /nfs/dbraw/zinc/76/33/07/608763307.db2.gz FUVZWIQWFHXNOZ-UHFFFAOYSA-N -1 1 339.424 2.463 20 0 EEADMM CC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)Cc2ccccc2C1 ZINC000824822665 608763308 /nfs/dbraw/zinc/76/33/08/608763308.db2.gz FUVZWIQWFHXNOZ-UHFFFAOYSA-N -1 1 339.424 2.463 20 0 EEADMM Fc1cccc(-n2ccc(NCC3CCOCC3)n2)c1-c1nn[n-]n1 ZINC000826376376 609320907 /nfs/dbraw/zinc/32/09/07/609320907.db2.gz AWOVTCZCUNVHEF-UHFFFAOYSA-N -1 1 343.366 2.030 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c1Cl ZINC000187834618 674632511 /nfs/dbraw/zinc/63/25/11/674632511.db2.gz RWRIATWASWYHMD-UHFFFAOYSA-N -1 1 338.191 2.345 20 0 EEADMM Cc1cc(CN2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c(C)s1 ZINC001010548484 675267468 /nfs/dbraw/zinc/26/74/68/675267468.db2.gz VPZRHZMUVKZVQL-CYBMUJFWSA-N -1 1 334.445 2.106 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCOC1CCSCC1 ZINC000891233070 676221912 /nfs/dbraw/zinc/22/19/12/676221912.db2.gz WPHZJBALBHNYHV-UHFFFAOYSA-N -1 1 339.461 2.256 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCN2Cc2c(C)cccc2C)c1[O-] ZINC001038173386 675426027 /nfs/dbraw/zinc/42/60/27/675426027.db2.gz VOROGENNXUREIP-CQSZACIVSA-N -1 1 328.416 2.045 20 0 EEADMM CN(CCc1cccc2ccccc21)C(=O)Cc1sc(N)nc1[O-] ZINC000079890674 675449954 /nfs/dbraw/zinc/44/99/54/675449954.db2.gz UPOPVOCDVMNLFX-HNNXBMFYSA-N -1 1 341.436 2.188 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020729656 675456796 /nfs/dbraw/zinc/45/67/96/675456796.db2.gz BDFOJPXGJOBMGU-OLZOCXBDSA-N -1 1 349.406 2.265 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C1CCCC1 ZINC001020737214 675462254 /nfs/dbraw/zinc/46/22/54/675462254.db2.gz ZNASGVRTMZBQQE-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC000890821493 675664838 /nfs/dbraw/zinc/66/48/38/675664838.db2.gz XMXCKWLPCLLJGI-KZULUSFZSA-N -1 1 347.415 2.307 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(F)c(F)c2)cc1 ZINC000022430696 676543272 /nfs/dbraw/zinc/54/32/72/676543272.db2.gz PVWWQZXYZQJZDI-UHFFFAOYSA-N -1 1 349.289 2.087 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000176254110 677807421 /nfs/dbraw/zinc/80/74/21/677807421.db2.gz GDIXRYJRJORYCG-CYBMUJFWSA-N -1 1 340.427 2.330 20 0 EEADMM COCc1nc(NCc2ccc(N3CCCCC3=O)cc2)cc(=O)[n-]1 ZINC000891967117 677809975 /nfs/dbraw/zinc/80/99/75/677809975.db2.gz FXUCPTRMIRMRJI-UHFFFAOYSA-N -1 1 342.399 2.458 20 0 EEADMM O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937213436 681689980 /nfs/dbraw/zinc/68/99/80/681689980.db2.gz WOSCEJAGYSPMRP-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM CN(C(=O)C1(C)CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937220914 681728166 /nfs/dbraw/zinc/72/81/66/681728166.db2.gz VYSWYPNYRZNZSD-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM Cn1c(CNC(=O)Cc2csc(-c3ccccc3)n2)n[n-]c1=S ZINC000066626177 681740524 /nfs/dbraw/zinc/74/05/24/681740524.db2.gz KAKVWIULEVIWSR-UHFFFAOYSA-N -1 1 345.453 2.460 20 0 EEADMM Cc1csc(C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000982672488 681999734 /nfs/dbraw/zinc/99/97/34/681999734.db2.gz IJJMIHXRPAGYTC-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM Cc1ccsc1C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982669647 682007067 /nfs/dbraw/zinc/00/70/67/682007067.db2.gz FHUXMMMRCBJJAI-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM CC1(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCCCC1 ZINC000983234911 682075121 /nfs/dbraw/zinc/07/51/21/682075121.db2.gz UXMYEOASMOHFNG-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197886 682295363 /nfs/dbraw/zinc/29/53/63/682295363.db2.gz PPTQMDUSAYTMEP-KBUPBQIOSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(Cc2nccs2)C1 ZINC001025397555 682672003 /nfs/dbraw/zinc/67/20/03/682672003.db2.gz PGGLZHWXSPDZED-CHWSQXEVSA-N -1 1 346.456 2.274 20 0 EEADMM CCCCCC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059160122 682793952 /nfs/dbraw/zinc/79/39/52/682793952.db2.gz CIDLPECACALCTB-CQSZACIVSA-N -1 1 333.432 2.336 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-])C1=CCCC1 ZINC000973594260 682803778 /nfs/dbraw/zinc/80/37/78/682803778.db2.gz PLGHEQBUMVTGPN-GOOCMWNKSA-N -1 1 341.411 2.149 20 0 EEADMM 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Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CCc2ccccc2C1 ZINC001609467570 1351988340 /nfs/dbraw/zinc/98/83/40/1351988340.db2.gz LPEVNERCAWJGHH-LBPRGKRZSA-N -1 1 337.383 2.303 20 0 EEADMM Fc1cccc(-n2ccc(NC[C@H]3CCSC3)n2)c1-c1nn[n-]n1 ZINC001609491587 1351998024 /nfs/dbraw/zinc/99/80/24/1351998024.db2.gz SBYRDLSDLBQOJY-SNVBAGLBSA-N -1 1 345.407 2.357 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)o1 ZINC001609543381 1352011145 /nfs/dbraw/zinc/01/11/45/1352011145.db2.gz OONMQXYLTZNGMI-NSHDSACASA-N -1 1 331.376 2.071 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)o1 ZINC001609543381 1352011148 /nfs/dbraw/zinc/01/11/48/1352011148.db2.gz OONMQXYLTZNGMI-NSHDSACASA-N -1 1 331.376 2.071 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609546010 1352011558 /nfs/dbraw/zinc/01/15/58/1352011558.db2.gz XLUFUBVXVZGWQT-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609546010 1352011562 /nfs/dbraw/zinc/01/15/62/1352011562.db2.gz XLUFUBVXVZGWQT-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM O=C(Nc1ccc(F)cc1-n1cccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609565117 1352018821 /nfs/dbraw/zinc/01/88/21/1352018821.db2.gz GXQDAXKHOFYXMB-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(Nc1ccc(F)cc1-n1cccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609565117 1352018824 /nfs/dbraw/zinc/01/88/24/1352018824.db2.gz GXQDAXKHOFYXMB-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM c1ccc(COC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001609617360 1352040765 /nfs/dbraw/zinc/04/07/65/1352040765.db2.gz MHALXUWTMRWYQU-UHFFFAOYSA-N -1 1 336.399 2.447 20 0 EEADMM c1ccc(COC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001609617360 1352040767 /nfs/dbraw/zinc/04/07/67/1352040767.db2.gz MHALXUWTMRWYQU-UHFFFAOYSA-N -1 1 336.399 2.447 20 0 EEADMM C[C@H](C(=O)NC1CCCCC1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001609634445 1352046754 /nfs/dbraw/zinc/04/67/54/1352046754.db2.gz FHZPBBKDQOGTBH-QMTHXVAHSA-N -1 1 336.354 2.163 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1oncc1C(=O)[O-] ZINC001609667329 1352053998 /nfs/dbraw/zinc/05/39/98/1352053998.db2.gz XUIKHROYDFPKEU-VXGBXAGGSA-N -1 1 339.392 2.298 20 0 EEADMM CC(C)C[C@@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609694098 1352061524 /nfs/dbraw/zinc/06/15/24/1352061524.db2.gz NWTWVDDSKOFOBZ-OAHLLOKOSA-N -1 1 336.407 2.410 20 0 EEADMM CC(C)Oc1ccc(F)cc1NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609714117 1352066409 /nfs/dbraw/zinc/06/64/09/1352066409.db2.gz FOECWZSUXSQEQG-UHFFFAOYSA-N -1 1 333.381 2.465 20 0 EEADMM C[C@H](C1CC1)N(C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1)C1CC1 ZINC001609725322 1352069538 /nfs/dbraw/zinc/06/95/38/1352069538.db2.gz YFTSRHNGBCGQGF-BFUOFWGJSA-N -1 1 345.443 2.151 20 0 EEADMM Cc1cccnc1[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001337501046 1336709149 /nfs/dbraw/zinc/70/91/49/1336709149.db2.gz SJTDYYYAOMUUML-LBPRGKRZSA-N -1 1 339.399 2.175 20 0 EEADMM C[C@H]1[C@@H](C(=O)[O-])CCN1CN1C(=S)N=NC1CCC1CCCC1 ZINC001609832711 1352096312 /nfs/dbraw/zinc/09/63/12/1352096312.db2.gz GXZZAVKCWGZUOG-AAEUAGOBSA-N -1 1 338.477 2.442 20 0 EEADMM CC[C@@H](C)N1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001609907493 1352116836 /nfs/dbraw/zinc/11/68/36/1352116836.db2.gz GGVYWZNFLOADED-CYBMUJFWSA-N -1 1 343.427 2.465 20 0 EEADMM COCC1([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCC1 ZINC001340734330 1337237944 /nfs/dbraw/zinc/23/79/44/1337237944.db2.gz XXQSXEQMUHSOTG-UHFFFAOYSA-N -1 1 325.217 2.236 20 0 EEADMM C[C@H](OC1CCCCC1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC001343965309 1337359845 /nfs/dbraw/zinc/35/98/45/1337359845.db2.gz DDEBBCKAZJPDJF-JTQLQIEISA-N -1 1 325.327 2.336 20 0 EEADMM CCOC(=O)c1cn(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc1C ZINC001610023379 1352143855 /nfs/dbraw/zinc/14/38/55/1352143855.db2.gz CJIJKZIJNMFBDL-CYBMUJFWSA-N -1 1 337.420 2.149 20 0 EEADMM CN(C(=O)CSc1ccc2c3c(cccc31)CC2)c1nn[n-]n1 ZINC001350256389 1337686979 /nfs/dbraw/zinc/68/69/79/1337686979.db2.gz SRIJVLNOWBPHFO-UHFFFAOYSA-N -1 1 325.397 2.207 20 0 EEADMM O=C(c1cccc(Nc2nccs2)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352583212 1337988480 /nfs/dbraw/zinc/98/84/80/1337988480.db2.gz BMCCDCBBWBMRPI-NSHDSACASA-N -1 1 341.400 2.030 20 0 EEADMM CNC(=O)c1cccc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001610144514 1352172909 /nfs/dbraw/zinc/17/29/09/1352172909.db2.gz XPLPLBYXXHMCAV-ZDUSSCGKSA-N -1 1 342.395 2.360 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c(C)cn1 ZINC001200396006 1338304764 /nfs/dbraw/zinc/30/47/64/1338304764.db2.gz AWNGOYLWEHPKCP-UHFFFAOYSA-N -1 1 326.349 2.347 20 0 EEADMM COC[C@@H](C)n1c(C)cc(C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC001610246208 1352193782 /nfs/dbraw/zinc/19/37/82/1352193782.db2.gz BEHXUKCBMGJDPE-AXAPSJFSSA-N -1 1 336.432 2.148 20 0 EEADMM COc1cc(CN2CC[C@H](O)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001610297378 1352201387 /nfs/dbraw/zinc/20/13/87/1352201387.db2.gz KEXBPOUTPMYHLM-ZDUSSCGKSA-N -1 1 347.367 2.132 20 0 EEADMM COc1cccc2c(C(=O)Nc3cccc(OCC(=O)[O-])c3)n[nH]c21 ZINC001610360019 1352210721 /nfs/dbraw/zinc/21/07/21/1352210721.db2.gz KFWFIZPPDWHKFM-UHFFFAOYSA-N -1 1 341.323 2.287 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCn1cccc1 ZINC000848341283 1338682681 /nfs/dbraw/zinc/68/26/81/1338682681.db2.gz RWSNLVQAGPYLSW-CHWSQXEVSA-N -1 1 345.365 2.326 20 0 EEADMM CSc1cccc(F)c1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610387637 1352215019 /nfs/dbraw/zinc/21/50/19/1352215019.db2.gz WPMQYRFXGCNBBA-LLVKDONJSA-N -1 1 340.420 2.169 20 0 EEADMM COCCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H]1C ZINC001358404452 1339043120 /nfs/dbraw/zinc/04/31/20/1339043120.db2.gz PEZYTQJNHFGUJH-JTQLQIEISA-N -1 1 337.811 2.334 20 0 EEADMM Cc1ccccc1-c1noc(CN2CCSC[C@H](C(=O)[O-])C2)n1 ZINC001610528231 1352239352 /nfs/dbraw/zinc/23/93/52/1352239352.db2.gz BXQXWKVGXNGOCC-GFCCVEGCSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC001610542593 1352242096 /nfs/dbraw/zinc/24/20/96/1352242096.db2.gz GISYPYLNZYUDTO-UHFFFAOYSA-N -1 1 348.374 2.346 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN[C@H](CCCO)c1ccccc1 ZINC001610666839 1352259048 /nfs/dbraw/zinc/25/90/48/1352259048.db2.gz KSXSFSDQVPJNOT-MRXNPFEDSA-N -1 1 342.395 2.427 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(Oc3cnccn3)CC2)cc1F ZINC001610826484 1352281178 /nfs/dbraw/zinc/28/11/78/1352281178.db2.gz YAONIYLBLBUQOJ-UHFFFAOYSA-N -1 1 331.347 2.357 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)CCC1 ZINC001430327187 1340188446 /nfs/dbraw/zinc/18/84/46/1340188446.db2.gz NJQUUMFUTNOPOC-KGLIPLIRSA-N -1 1 347.463 2.132 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001431422053 1340589634 /nfs/dbraw/zinc/58/96/34/1340589634.db2.gz CBIQULIUOPDYCH-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001432961255 1341446462 /nfs/dbraw/zinc/44/64/62/1341446462.db2.gz GMFZFAUQWGBRKV-MGPQQGTHSA-N -1 1 333.432 2.096 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CC(C)C ZINC001433694788 1341661601 /nfs/dbraw/zinc/66/16/01/1341661601.db2.gz RVHKEKFGICOXFS-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001434393041 1341836708 /nfs/dbraw/zinc/83/67/08/1341836708.db2.gz JRNZNSATRKWQES-QDMKHBRRSA-N -1 1 345.443 2.477 20 0 EEADMM COc1ccc2c(c1)C[C@H](C)C[C@@H]2Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC001553969316 1342388971 /nfs/dbraw/zinc/38/89/71/1342388971.db2.gz QDHOEBTVMKVBGJ-XPTSAGLGSA-N -1 1 325.372 2.176 20 0 EEADMM Cc1nc([C@H](C)NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n[nH]1 ZINC001556508943 1342429609 /nfs/dbraw/zinc/42/96/09/1342429609.db2.gz QVSFPEIBAWPHKK-QMMMGPOBSA-N -1 1 346.778 2.149 20 0 EEADMM CCCC(=O)N[C@@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577202974 1344103597 /nfs/dbraw/zinc/10/35/97/1344103597.db2.gz MIAASOPCSGWDFS-IUCAKERBSA-N -1 1 337.453 2.127 20 0 EEADMM CCSc1cccnc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001578418035 1344277065 /nfs/dbraw/zinc/27/70/65/1344277065.db2.gz YUIAICUVKVFBOC-UHFFFAOYSA-N -1 1 347.429 2.391 20 0 EEADMM CCSc1cccnc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001578418035 1344277067 /nfs/dbraw/zinc/27/70/67/1344277067.db2.gz YUIAICUVKVFBOC-UHFFFAOYSA-N -1 1 347.429 2.391 20 0 EEADMM COc1cccc(C[C@@H](N)C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])c1 ZINC001579275534 1344364513 /nfs/dbraw/zinc/36/45/13/1344364513.db2.gz YALKRCKGVSGMMD-OAHLLOKOSA-N -1 1 346.358 2.251 20 0 EEADMM COc1ccc(Br)cc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC001579970119 1344441419 /nfs/dbraw/zinc/44/14/19/1344441419.db2.gz ZRORTCDYTQSQJV-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(Br)cc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC001579970119 1344441422 /nfs/dbraw/zinc/44/14/22/1344441422.db2.gz ZRORTCDYTQSQJV-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ncc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133725 1344478026 /nfs/dbraw/zinc/47/80/26/1344478026.db2.gz WTELUDWJBPODCK-NXEZZACHSA-N -1 1 330.392 2.281 20 0 EEADMM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001580434687 1344520142 /nfs/dbraw/zinc/52/01/42/1344520142.db2.gz QFXHWNHUGDWVRR-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001580434687 1344520145 /nfs/dbraw/zinc/52/01/45/1344520145.db2.gz QFXHWNHUGDWVRR-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001582263600 1344721491 /nfs/dbraw/zinc/72/14/91/1344721491.db2.gz YPIADSYUMWQQMC-NHYWBVRUSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001582263600 1344721495 /nfs/dbraw/zinc/72/14/95/1344721495.db2.gz YPIADSYUMWQQMC-NHYWBVRUSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001582328129 1344732647 /nfs/dbraw/zinc/73/26/47/1344732647.db2.gz MFKWZVWXFCIWKM-AWEZNQCLSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001582328129 1344732650 /nfs/dbraw/zinc/73/26/50/1344732650.db2.gz MFKWZVWXFCIWKM-AWEZNQCLSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582583136 1344766398 /nfs/dbraw/zinc/76/63/98/1344766398.db2.gz FOPQPTLSLGJIHX-VXNVDRBHSA-N -1 1 336.277 2.029 20 0 EEADMM O=C(Nc1n[nH]c2ccccc21)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582650912 1344777670 /nfs/dbraw/zinc/77/76/70/1344777670.db2.gz LZFMPZWBBXHZTH-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(Nc1n[nH]c2ccccc21)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582650912 1344777672 /nfs/dbraw/zinc/77/76/72/1344777672.db2.gz LZFMPZWBBXHZTH-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM Brc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001588320078 1348884351 /nfs/dbraw/zinc/88/43/51/1348884351.db2.gz DSWJVBUDVZXLDM-UHFFFAOYSA-N -1 1 344.176 2.127 20 0 EEADMM CC(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001588915458 1348946791 /nfs/dbraw/zinc/94/67/91/1348946791.db2.gz FXIBTLICNOCBHF-UHFFFAOYSA-N -1 1 342.384 2.453 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ncncc2-c2nn[n-]n2)C12CCC2 ZINC001589193394 1348968104 /nfs/dbraw/zinc/96/81/04/1348968104.db2.gz RZIUSLBUTXHYIL-NEPJUHHUSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)cc2)n1 ZINC001589250354 1348975170 /nfs/dbraw/zinc/97/51/70/1348975170.db2.gz PWMKPIONLXZHHQ-UHFFFAOYSA-N -1 1 329.339 2.210 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)cc2)n1 ZINC001589250354 1348975173 /nfs/dbraw/zinc/97/51/73/1348975173.db2.gz PWMKPIONLXZHHQ-UHFFFAOYSA-N -1 1 329.339 2.210 20 0 EEADMM CC(C)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589500970 1348997638 /nfs/dbraw/zinc/99/76/38/1348997638.db2.gz WHLZVZMEJBHTMS-DGCLKSJQSA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589500970 1348997640 /nfs/dbraw/zinc/99/76/40/1348997640.db2.gz WHLZVZMEJBHTMS-DGCLKSJQSA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001589508580 1348998048 /nfs/dbraw/zinc/99/80/48/1348998048.db2.gz DVQYMKIUCBOTJY-SSDOTTSWSA-N -1 1 341.828 2.486 20 0 EEADMM CC(C)N(C)c1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001589678704 1349019806 /nfs/dbraw/zinc/01/98/06/1349019806.db2.gz PYDZRSOVZHKXGE-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM CC(C)N(C)c1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001589678704 1349019810 /nfs/dbraw/zinc/01/98/10/1349019810.db2.gz PYDZRSOVZHKXGE-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM CC(C)OCCON=c1[n-]c(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC001589748613 1349027663 /nfs/dbraw/zinc/02/76/63/1349027663.db2.gz GPMDKRBUPMEGJW-UHFFFAOYSA-N -1 1 332.286 2.049 20 0 EEADMM CC(C)Oc1cc(O)ccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589751573 1349028470 /nfs/dbraw/zinc/02/84/70/1349028470.db2.gz NYWIQYQTNXAKRF-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM CC(C)Oc1cc(O)ccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589751573 1349028477 /nfs/dbraw/zinc/02/84/77/1349028477.db2.gz NYWIQYQTNXAKRF-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM CC(C)c1csc([S@](=O)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001589774203 1349036647 /nfs/dbraw/zinc/03/66/47/1349036647.db2.gz ZBRIKXHUBNKPIC-JOCHJYFZSA-N -1 1 334.430 2.149 20 0 EEADMM CC(C)c1csc([S@](=O)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001589774203 1349036650 /nfs/dbraw/zinc/03/66/50/1349036650.db2.gz ZBRIKXHUBNKPIC-JOCHJYFZSA-N -1 1 334.430 2.149 20 0 EEADMM CC(C)c1ncc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001589776880 1349037411 /nfs/dbraw/zinc/03/74/11/1349037411.db2.gz CPUUUCHIUMCKMH-UHFFFAOYSA-N -1 1 327.323 2.172 20 0 EEADMM CC(C)c1ncc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001589776880 1349037420 /nfs/dbraw/zinc/03/74/20/1349037420.db2.gz CPUUUCHIUMCKMH-UHFFFAOYSA-N -1 1 327.323 2.172 20 0 EEADMM CC(C)c1ncc(Cl)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001589777131 1349037541 /nfs/dbraw/zinc/03/75/41/1349037541.db2.gz LTMOCKDOGPMKDQ-UHFFFAOYSA-N -1 1 348.750 2.384 20 0 EEADMM CC(C)c1ncc(Cl)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001589777131 1349037547 /nfs/dbraw/zinc/03/75/47/1349037547.db2.gz LTMOCKDOGPMKDQ-UHFFFAOYSA-N -1 1 348.750 2.384 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001589779359 1349039093 /nfs/dbraw/zinc/03/90/93/1349039093.db2.gz YICODNGRTSXGJC-QMMMGPOBSA-N -1 1 346.322 2.430 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589779359 1349039096 /nfs/dbraw/zinc/03/90/96/1349039096.db2.gz YICODNGRTSXGJC-QMMMGPOBSA-N -1 1 346.322 2.430 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589899878 1349057078 /nfs/dbraw/zinc/05/70/78/1349057078.db2.gz RJDZRKJBSRCWRN-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589899878 1349057081 /nfs/dbraw/zinc/05/70/81/1349057081.db2.gz RJDZRKJBSRCWRN-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC001589944567 1349072978 /nfs/dbraw/zinc/07/29/78/1349072978.db2.gz NSEQKRJZLUJNJV-YHAQOWFVSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC001589944567 1349072980 /nfs/dbraw/zinc/07/29/80/1349072980.db2.gz NSEQKRJZLUJNJV-YHAQOWFVSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@@H](Oc1ccccc1)c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590029414 1349117195 /nfs/dbraw/zinc/11/71/95/1349117195.db2.gz WJWCETWETFTIOP-SNVBAGLBSA-N -1 1 335.327 2.452 20 0 EEADMM C[C@@H](Oc1ccccc1)c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590029414 1349117203 /nfs/dbraw/zinc/11/72/03/1349117203.db2.gz WJWCETWETFTIOP-SNVBAGLBSA-N -1 1 335.327 2.452 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590233818 1349216757 /nfs/dbraw/zinc/21/67/57/1349216757.db2.gz MPEKDMKCWBBQSU-PHDIDXHHSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590267177 1349239810 /nfs/dbraw/zinc/23/98/10/1349239810.db2.gz LJZZSRAZJPCNMN-NTSWFWBYSA-N -1 1 327.801 2.239 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590401263 1349304472 /nfs/dbraw/zinc/30/44/72/1349304472.db2.gz FDXYTHCOFGSJJN-GHMZBOCLSA-N -1 1 339.421 2.049 20 0 EEADMM CC[C@@H](C)c1ccc(OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590417205 1349313630 /nfs/dbraw/zinc/31/36/30/1349313630.db2.gz YDJQQZZYYMLWMY-MNOVXSKESA-N -1 1 341.375 2.138 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590508998 1349360802 /nfs/dbraw/zinc/36/08/02/1349360802.db2.gz TZKSJTNXOUOHFN-VXGBXAGGSA-N -1 1 326.404 2.367 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590508998 1349360807 /nfs/dbraw/zinc/36/08/07/1349360807.db2.gz TZKSJTNXOUOHFN-VXGBXAGGSA-N -1 1 326.404 2.367 20 0 EEADMM CCc1nc(Oc2ccc(C(=O)OC)c(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590924313 1349414032 /nfs/dbraw/zinc/41/40/32/1349414032.db2.gz BUASUZJSGLOSQK-UHFFFAOYSA-N -1 1 340.343 2.106 20 0 EEADMM CCc1nc(Oc2ccc(C(=O)OC)c(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590924313 1349414036 /nfs/dbraw/zinc/41/40/36/1349414036.db2.gz BUASUZJSGLOSQK-UHFFFAOYSA-N -1 1 340.343 2.106 20 0 EEADMM CCc1nc(NCc2cccc(OC)c2C)cc(-c2nnn[n-]2)n1 ZINC001590922889 1349414286 /nfs/dbraw/zinc/41/42/86/1349414286.db2.gz WIYGGAHIHJIRIK-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(NCc2cccc(OC)c2C)cc(-c2nn[n-]n2)n1 ZINC001590922889 1349414290 /nfs/dbraw/zinc/41/42/90/1349414290.db2.gz WIYGGAHIHJIRIK-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(Sc2nnc(C3CC3)s2)cc(-c2nnn[n-]2)n1 ZINC001590924157 1349414476 /nfs/dbraw/zinc/41/44/76/1349414476.db2.gz YIGBKBLTTBMDCX-UHFFFAOYSA-N -1 1 332.418 2.099 20 0 EEADMM CCc1nc(Sc2nnc(C3CC3)s2)cc(-c2nn[n-]n2)n1 ZINC001590924157 1349414481 /nfs/dbraw/zinc/41/44/81/1349414481.db2.gz YIGBKBLTTBMDCX-UHFFFAOYSA-N -1 1 332.418 2.099 20 0 EEADMM CCn1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1C ZINC001590955608 1349423177 /nfs/dbraw/zinc/42/31/77/1349423177.db2.gz YECXHLCSVGWKPZ-UHFFFAOYSA-N -1 1 331.405 2.038 20 0 EEADMM CCn1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1C ZINC001590955608 1349423181 /nfs/dbraw/zinc/42/31/81/1349423181.db2.gz YECXHLCSVGWKPZ-UHFFFAOYSA-N -1 1 331.405 2.038 20 0 EEADMM CCn1ccnc1[C@@H]1CCCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590962070 1349424547 /nfs/dbraw/zinc/42/45/47/1349424547.db2.gz OOBOJCFXIUHHSU-LBPRGKRZSA-N -1 1 344.448 2.267 20 0 EEADMM CCn1ccnc1[C@@H]1CCCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590962070 1349424549 /nfs/dbraw/zinc/42/45/49/1349424549.db2.gz OOBOJCFXIUHHSU-LBPRGKRZSA-N -1 1 344.448 2.267 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591050828 1349435549 /nfs/dbraw/zinc/43/55/49/1349435549.db2.gz RTGDEIQMYJWSEW-UHFFFAOYSA-N -1 1 335.433 2.086 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591050828 1349435556 /nfs/dbraw/zinc/43/55/56/1349435556.db2.gz RTGDEIQMYJWSEW-UHFFFAOYSA-N -1 1 335.433 2.086 20 0 EEADMM CN1CCCN(Cc2nc(-c3nnn[n-]3)cs2)c2ccc(F)cc21 ZINC001591188742 1349447019 /nfs/dbraw/zinc/44/70/19/1349447019.db2.gz KVNUQMZDMZCDAC-UHFFFAOYSA-N -1 1 345.407 2.309 20 0 EEADMM CN1CCCN(Cc2nc(-c3nn[n-]n3)cs2)c2ccc(F)cc21 ZINC001591188742 1349447024 /nfs/dbraw/zinc/44/70/24/1349447024.db2.gz KVNUQMZDMZCDAC-UHFFFAOYSA-N -1 1 345.407 2.309 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001591336973 1349463198 /nfs/dbraw/zinc/46/31/98/1349463198.db2.gz XRDKSWGSSJWEQS-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001591336973 1349463202 /nfs/dbraw/zinc/46/32/02/1349463202.db2.gz XRDKSWGSSJWEQS-LKFCYVNXSA-N -1 1 345.794 2.498 20 0 EEADMM COCCOc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001591445666 1349485812 /nfs/dbraw/zinc/48/58/12/1349485812.db2.gz CTIZEHPVANIGIU-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COc1ccc(F)cc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591605718 1349514083 /nfs/dbraw/zinc/51/40/83/1349514083.db2.gz DFTGSZOHGWFIGS-UHFFFAOYSA-N -1 1 334.336 2.032 20 0 EEADMM COc1ccc(F)cc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591605718 1349514091 /nfs/dbraw/zinc/51/40/91/1349514091.db2.gz DFTGSZOHGWFIGS-UHFFFAOYSA-N -1 1 334.336 2.032 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@H](C(F)(F)F)O2)cc(-c2nnn[n-]2)n1 ZINC001592043672 1349587239 /nfs/dbraw/zinc/58/72/39/1349587239.db2.gz JFPWTOPICVQTDG-MWLCHTKSSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@H](C(F)(F)F)O2)cc(-c2nn[n-]n2)n1 ZINC001592043672 1349587242 /nfs/dbraw/zinc/58/72/42/1349587242.db2.gz JFPWTOPICVQTDG-MWLCHTKSSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001592501624 1349638020 /nfs/dbraw/zinc/63/80/20/1349638020.db2.gz INFTUFTZECEVAR-FGWVZKOKSA-N -1 1 333.417 2.172 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC001592501624 1349638021 /nfs/dbraw/zinc/63/80/21/1349638021.db2.gz INFTUFTZECEVAR-FGWVZKOKSA-N -1 1 333.417 2.172 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1ccc(F)cc1F ZINC001592504014 1349640115 /nfs/dbraw/zinc/64/01/15/1349640115.db2.gz PYBYMBQBEAQQBT-UHFFFAOYSA-N -1 1 334.282 2.446 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1ccc(F)cc1F ZINC001592504014 1349640117 /nfs/dbraw/zinc/64/01/17/1349640117.db2.gz PYBYMBQBEAQQBT-UHFFFAOYSA-N -1 1 334.282 2.446 20 0 EEADMM Clc1cccc2c(CCNc3cncc(-c4nnn[n-]4)n3)c[nH]c21 ZINC001592535302 1349650426 /nfs/dbraw/zinc/65/04/26/1349650426.db2.gz SVNCRJLWLWEDCY-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1cccc2c(CCNc3cncc(-c4nn[n-]n4)n3)c[nH]c21 ZINC001592535302 1349650427 /nfs/dbraw/zinc/65/04/27/1349650427.db2.gz SVNCRJLWLWEDCY-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1nc(N2CC[C@H](c3ccncc3)C2)sc1-c1nnn[n-]1 ZINC001592541098 1349652908 /nfs/dbraw/zinc/65/29/08/1349652908.db2.gz TWZXBWQMUPBZEZ-VIFPVBQESA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nc(N2CC[C@H](c3ccncc3)C2)sc1-c1nn[n-]n1 ZINC001592541098 1349652922 /nfs/dbraw/zinc/65/29/22/1349652922.db2.gz TWZXBWQMUPBZEZ-VIFPVBQESA-N -1 1 333.808 2.366 20 0 EEADMM Clc1sc(N2CCC[C@@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592541577 1349653953 /nfs/dbraw/zinc/65/39/53/1349653953.db2.gz FJDKDCFVXLJAAX-HTQZYQBOSA-N -1 1 326.813 2.124 20 0 EEADMM Cn1ccc2c1cccc2C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592582151 1349662203 /nfs/dbraw/zinc/66/22/03/1349662203.db2.gz STWHSCFUKHMOIW-UHFFFAOYSA-N -1 1 348.370 2.211 20 0 EEADMM FC(F)(F)[C@@H]1CC=CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001592618058 1349673750 /nfs/dbraw/zinc/67/37/50/1349673750.db2.gz LFAFFPOWGMYJCE-DTWKUNHWSA-N -1 1 325.298 2.213 20 0 EEADMM FC(F)(F)[C@@H]1CC=CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001592618058 1349673754 /nfs/dbraw/zinc/67/37/54/1349673754.db2.gz LFAFFPOWGMYJCE-DTWKUNHWSA-N -1 1 325.298 2.213 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cncc(-c3nnn[n-]3)n2)cc(F)c1F ZINC001592644113 1349689984 /nfs/dbraw/zinc/68/99/84/1349689984.db2.gz PWAWPYPTLHBFAM-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2cncc(-c3nn[n-]n3)n2)cc(F)c1F ZINC001592644113 1349689987 /nfs/dbraw/zinc/68/99/87/1349689987.db2.gz PWAWPYPTLHBFAM-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001592647058 1349692798 /nfs/dbraw/zinc/69/27/98/1349692798.db2.gz IBCFGGWSDLEPGP-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(CC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)c1 ZINC001592653811 1349698729 /nfs/dbraw/zinc/69/87/29/1349698729.db2.gz DDUAKYAVXJFVLD-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(CC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)c1 ZINC001592653811 1349698732 /nfs/dbraw/zinc/69/87/32/1349698732.db2.gz DDUAKYAVXJFVLD-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592656653 1349701238 /nfs/dbraw/zinc/70/12/38/1349701238.db2.gz IBWCYHXAJSSNDF-SKDRFNHKSA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592656653 1349701242 /nfs/dbraw/zinc/70/12/42/1349701242.db2.gz IBWCYHXAJSSNDF-SKDRFNHKSA-N -1 1 330.754 2.444 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592978262 1349731501 /nfs/dbraw/zinc/73/15/01/1349731501.db2.gz MMEYNDWZRSDSQO-HUUCEWRRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592978262 1349731503 /nfs/dbraw/zinc/73/15/03/1349731503.db2.gz MMEYNDWZRSDSQO-HUUCEWRRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CCCC12CCOCC2)c1csc(-c2nn[n-]n2)c1 ZINC001592978635 1349731794 /nfs/dbraw/zinc/73/17/94/1349731794.db2.gz QJGIROAFWAZUPN-GFCCVEGCSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593137932 1349739996 /nfs/dbraw/zinc/73/99/96/1349739996.db2.gz CUFWVEJYKYYVCE-UHFFFAOYSA-N -1 1 347.741 2.376 20 0 EEADMM O=C(NCc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593137932 1349739998 /nfs/dbraw/zinc/73/99/98/1349739998.db2.gz CUFWVEJYKYYVCE-UHFFFAOYSA-N -1 1 347.741 2.376 20 0 EEADMM O=C(NCc1ncc(-c2ccccc2)o1)c1coc(-c2nnn[n-]2)c1 ZINC001593152634 1349743598 /nfs/dbraw/zinc/74/35/98/1349743598.db2.gz KKDWPFRKNFSIKL-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(NCc1ncc(-c2ccccc2)o1)c1coc(-c2nn[n-]n2)c1 ZINC001593152634 1349743599 /nfs/dbraw/zinc/74/35/99/1349743599.db2.gz KKDWPFRKNFSIKL-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1CCSC2(CCC2)C1 ZINC001593243251 1349748625 /nfs/dbraw/zinc/74/86/25/1349748625.db2.gz BFNUHWLBLNPGIJ-JTQLQIEISA-N -1 1 345.432 2.202 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1CCSC2(CCC2)C1 ZINC001593243251 1349748631 /nfs/dbraw/zinc/74/86/31/1349748631.db2.gz BFNUHWLBLNPGIJ-JTQLQIEISA-N -1 1 345.432 2.202 20 0 EEADMM O=C(Nc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1)C1CC1 ZINC001593249937 1349750553 /nfs/dbraw/zinc/75/05/53/1349750553.db2.gz OTGUDAFZTAFVMN-UHFFFAOYSA-N -1 1 341.400 2.284 20 0 EEADMM O=C(Nc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1)C1CC1 ZINC001593249937 1349750554 /nfs/dbraw/zinc/75/05/54/1349750554.db2.gz OTGUDAFZTAFVMN-UHFFFAOYSA-N -1 1 341.400 2.284 20 0 EEADMM O=C(Nc1ncc(C2CCOCC2)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001593268613 1349755884 /nfs/dbraw/zinc/75/58/84/1349755884.db2.gz UNOXFJUUSDNVQU-UHFFFAOYSA-N -1 1 346.372 2.063 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593283570 1349762107 /nfs/dbraw/zinc/76/21/07/1349762107.db2.gz AHGMNNYGCAECJN-RNLVFQAGSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593283570 1349762109 /nfs/dbraw/zinc/76/21/09/1349762109.db2.gz AHGMNNYGCAECJN-RNLVFQAGSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(OC[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593286343 1349764007 /nfs/dbraw/zinc/76/40/07/1349764007.db2.gz IPGPGBWWTYMCIB-JTQLQIEISA-N -1 1 326.312 2.183 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](c2nccs2)C1 ZINC001593337958 1349783508 /nfs/dbraw/zinc/78/35/08/1349783508.db2.gz BNTNAQYJPYIQQF-QMMMGPOBSA-N -1 1 332.414 2.014 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](c2nccs2)C1 ZINC001593337958 1349783512 /nfs/dbraw/zinc/78/35/12/1349783512.db2.gz BNTNAQYJPYIQQF-QMMMGPOBSA-N -1 1 332.414 2.014 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001593367529 1349791940 /nfs/dbraw/zinc/79/19/40/1349791940.db2.gz LOSFHYWQQKLFRY-MJBXVCDLSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC001593367529 1349791944 /nfs/dbraw/zinc/79/19/44/1349791944.db2.gz LOSFHYWQQKLFRY-MJBXVCDLSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCCCC(=O)C1 ZINC001593393580 1349795728 /nfs/dbraw/zinc/79/57/28/1349795728.db2.gz PMZHCTGAPBXFFB-NSHDSACASA-N -1 1 329.360 2.050 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC001593448021 1349801067 /nfs/dbraw/zinc/80/10/67/1349801067.db2.gz DRLKAXOTRFBVLJ-UHFFFAOYSA-N -1 1 336.760 2.288 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1ccc(Cl)nc1 ZINC001593493207 1349818569 /nfs/dbraw/zinc/81/85/69/1349818569.db2.gz BJUOVQYPMSKSNH-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1csc(-c2ccsc2)n1 ZINC001593494964 1349820053 /nfs/dbraw/zinc/82/00/53/1349820053.db2.gz ODKNJTNKXLEJKS-UHFFFAOYSA-N -1 1 342.409 2.262 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c2ccccc12 ZINC001593494557 1349820075 /nfs/dbraw/zinc/82/00/75/1349820075.db2.gz JYYTUDTYXHSLNJ-YSCVYTRNSA-N -1 1 343.337 2.473 20 0 EEADMM OC1(C2CCC2)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001593510722 1349825707 /nfs/dbraw/zinc/82/57/07/1349825707.db2.gz MSIRTXQTSMDMGX-UHFFFAOYSA-N -1 1 334.811 2.047 20 0 EEADMM OC1(C2CCC2)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001593510722 1349825711 /nfs/dbraw/zinc/82/57/11/1349825711.db2.gz MSIRTXQTSMDMGX-UHFFFAOYSA-N -1 1 334.811 2.047 20 0 EEADMM O=c1cc(CSCc2nc(-c3nnn[n-]3)cs2)nc(C2CC2)[nH]1 ZINC001593539630 1349835960 /nfs/dbraw/zinc/83/59/60/1349835960.db2.gz ZFXIEIFTAMZZIA-UHFFFAOYSA-N -1 1 347.429 2.130 20 0 EEADMM O=c1cc(CSCc2nc(-c3nn[n-]n3)cs2)nc(C2CC2)[nH]1 ZINC001593539630 1349835964 /nfs/dbraw/zinc/83/59/64/1349835964.db2.gz ZFXIEIFTAMZZIA-UHFFFAOYSA-N -1 1 347.429 2.130 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543429 1349838387 /nfs/dbraw/zinc/83/83/87/1349838387.db2.gz OEOKWVNCBSSZHQ-UKRRQHHQSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@H](C2CCC2)[C@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543429 1349838394 /nfs/dbraw/zinc/83/83/94/1349838394.db2.gz OEOKWVNCBSSZHQ-UKRRQHHQSA-N -1 1 341.419 2.294 20 0 EEADMM c1ccc([C@@H]2CCC[C@H](COc3cnc(-c4nn[n-]n4)nc3)O2)cc1 ZINC001593570713 1349855935 /nfs/dbraw/zinc/85/59/35/1349855935.db2.gz HPFVDVBZHMMHPY-HIFRSBDPSA-N -1 1 338.371 2.346 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1 ZINC001600110812 1349973072 /nfs/dbraw/zinc/97/30/72/1349973072.db2.gz HQJLVZFOTFAPLT-MRXNPFEDSA-N -1 1 335.400 2.207 20 0 EEADMM Cc1cc(CCC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n[nH]1 ZINC001600188311 1349988059 /nfs/dbraw/zinc/98/80/59/1349988059.db2.gz KKLLYJPLYXVDTI-OAHLLOKOSA-N -1 1 341.367 2.209 20 0 EEADMM Cc1cc(CN[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)[nH]c1C(=O)[O-] ZINC001600203721 1349992494 /nfs/dbraw/zinc/99/24/94/1349992494.db2.gz TYNGOAJNPRNKMC-QWHCGFSZSA-N -1 1 341.411 2.477 20 0 EEADMM Cc1cc(F)cc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)cc21 ZINC001600232052 1349997831 /nfs/dbraw/zinc/99/78/31/1349997831.db2.gz YYBROTRQMLXJTJ-GFCCVEGCSA-N -1 1 347.390 2.236 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC001600380081 1350035276 /nfs/dbraw/zinc/03/52/76/1350035276.db2.gz CFEZMSVOEXTEEG-ZWKOTPCHSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c(Br)c1 ZINC001600412799 1350044435 /nfs/dbraw/zinc/04/44/35/1350044435.db2.gz LKDVGUNHBMPKHF-CQSZACIVSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)nc1 ZINC001600445448 1350053744 /nfs/dbraw/zinc/05/37/44/1350053744.db2.gz VIHIBDFKBCPSHI-ZDUSSCGKSA-N -1 1 342.399 2.267 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cnn3c2CCCC3)cc1C(=O)[O-] ZINC001600483792 1350062556 /nfs/dbraw/zinc/06/25/56/1350062556.db2.gz UAOSTYZEUOSXGA-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001600506570 1350068653 /nfs/dbraw/zinc/06/86/53/1350068653.db2.gz IYYIHRTYGKSEQC-UHFFFAOYSA-N -1 1 339.355 2.227 20 0 EEADMM Cc1ccsc1CCCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600610187 1350097037 /nfs/dbraw/zinc/09/70/37/1350097037.db2.gz VSKOPVNZKHSJBQ-AWEZNQCLSA-N -1 1 338.473 2.387 20 0 EEADMM Cc1cn(C(C)(C)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cn1 ZINC001600611597 1350097240 /nfs/dbraw/zinc/09/72/40/1350097240.db2.gz OPJYVKSIIRWYGR-UHFFFAOYSA-N -1 1 327.344 2.140 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)CC(C)(C)CO ZINC001600652693 1350108151 /nfs/dbraw/zinc/10/81/51/1350108151.db2.gz YDLZZLAXRQNKOM-JTQLQIEISA-N -1 1 328.434 2.032 20 0 EEADMM Cc1nc([C@H]2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])C2)no1 ZINC001600696256 1350117899 /nfs/dbraw/zinc/11/78/99/1350117899.db2.gz BSJCTRHNMYVYGD-RISCZKNCSA-N -1 1 331.372 2.219 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001600824326 1350145201 /nfs/dbraw/zinc/14/52/01/1350145201.db2.gz JDRHAXRXQARANF-CQSZACIVSA-N -1 1 340.339 2.266 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC001600831076 1350147259 /nfs/dbraw/zinc/14/72/59/1350147259.db2.gz HRZVTAVHHQNBBQ-GFCCVEGCSA-N -1 1 345.399 2.196 20 0 EEADMM Cn1c(CN2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)nc2ccccc21 ZINC001600914253 1350167018 /nfs/dbraw/zinc/16/70/18/1350167018.db2.gz DIJHPNQFBIBNOW-IBGZPJMESA-N -1 1 343.427 2.155 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)c(O)c1)CCO2 ZINC001601444707 1350285056 /nfs/dbraw/zinc/28/50/56/1350285056.db2.gz QGKFIDDBVCNEFD-NOEPWBJOSA-N -1 1 339.775 2.188 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cn[nH]c1-c1ccccn1)c1ccccc1 ZINC001601454226 1350286909 /nfs/dbraw/zinc/28/69/09/1350286909.db2.gz AUCBLQYDSDFNER-ZDUSSCGKSA-N -1 1 336.351 2.070 20 0 EEADMM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1Cl ZINC001601602855 1350317001 /nfs/dbraw/zinc/31/70/01/1350317001.db2.gz DRRHVBMCLFYDSU-VIFPVBQESA-N -1 1 334.763 2.440 20 0 EEADMM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC001601615041 1350320133 /nfs/dbraw/zinc/32/01/33/1350320133.db2.gz BVKXDNUTCAUDKJ-KGLIPLIRSA-N -1 1 335.429 2.086 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3cccc(OC(F)F)c3)C2)C1 ZINC001601746852 1350354010 /nfs/dbraw/zinc/35/40/10/1350354010.db2.gz RCVFREWXZWAQCL-HNNXBMFYSA-N -1 1 326.299 2.093 20 0 EEADMM O=C([O-])CCN1CCC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)C1=O ZINC001602013342 1350418961 /nfs/dbraw/zinc/41/89/61/1350418961.db2.gz MBHRZTONOLVAFH-QGZVFWFLSA-N -1 1 346.402 2.381 20 0 EEADMM O=C([O-])c1ccccc1OCCN(CCCO)Cc1ccccn1 ZINC001602472904 1350527583 /nfs/dbraw/zinc/52/75/83/1350527583.db2.gz MWZYVRYBHPMPHB-UHFFFAOYSA-N -1 1 330.384 2.043 20 0 EEADMM O=C([O-])c1ccnc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC001602482280 1350529113 /nfs/dbraw/zinc/52/91/13/1350529113.db2.gz UCZAOVLNRPVPPH-UHFFFAOYSA-N -1 1 330.731 2.240 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)s1 ZINC001602509011 1350534288 /nfs/dbraw/zinc/53/42/88/1350534288.db2.gz ALOFVTNYIZCUIZ-YPMHNXCESA-N -1 1 349.456 2.174 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN([C@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC001602655693 1350567124 /nfs/dbraw/zinc/56/71/24/1350567124.db2.gz JORKZTWAGBZZDG-MLGHIDQZSA-N -1 1 348.365 2.019 20 0 EEADMM CC(=O)c1ccc2c(c1)CN(c1snc(C)c1-c1nn[n-]n1)C2 ZINC001602977725 1350616390 /nfs/dbraw/zinc/61/63/90/1350616390.db2.gz QADWNLMRMAXJRD-UHFFFAOYSA-N -1 1 326.385 2.354 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1ccc(O)cc1 ZINC001603049859 1350627770 /nfs/dbraw/zinc/62/77/70/1350627770.db2.gz HVWBNPXSZRKJSW-UHFFFAOYSA-N -1 1 345.384 2.050 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1ccc(O)cc1 ZINC001603049859 1350627771 /nfs/dbraw/zinc/62/77/71/1350627771.db2.gz HVWBNPXSZRKJSW-UHFFFAOYSA-N -1 1 345.384 2.050 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001603062263 1350630140 /nfs/dbraw/zinc/63/01/40/1350630140.db2.gz DZJHYNUXWOOSGT-GWCFXTLKSA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001603062263 1350630145 /nfs/dbraw/zinc/63/01/45/1350630145.db2.gz DZJHYNUXWOOSGT-GWCFXTLKSA-N -1 1 331.376 2.012 20 0 EEADMM COc1cc2[n-]cc(C(=O)N[C@H](C)c3ccc[nH]3)c(=O)c2c(OC)c1 ZINC001603085804 1350637529 /nfs/dbraw/zinc/63/75/29/1350637529.db2.gz KKALQXBRDFDGTL-SNVBAGLBSA-N -1 1 341.367 2.364 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccnc1-c1nnn[n-]1 ZINC001603090343 1350637821 /nfs/dbraw/zinc/63/78/21/1350637821.db2.gz UORKNFPQFFRQPM-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccnc1-c1nn[n-]n1 ZINC001603090343 1350637826 /nfs/dbraw/zinc/63/78/26/1350637826.db2.gz UORKNFPQFFRQPM-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC001603459045 1350708490 /nfs/dbraw/zinc/70/84/90/1350708490.db2.gz CVMPQZKZAUGJCS-GFCCVEGCSA-N -1 1 335.404 2.126 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001603576761 1350722714 /nfs/dbraw/zinc/72/27/14/1350722714.db2.gz BTKWOTMDDSGGFC-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001603576761 1350722716 /nfs/dbraw/zinc/72/27/16/1350722716.db2.gz BTKWOTMDDSGGFC-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C ZINC001603705250 1350746152 /nfs/dbraw/zinc/74/61/52/1350746152.db2.gz ZBNFELOVUQDMOB-SNVBAGLBSA-N -1 1 349.354 2.066 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C ZINC001603705250 1350746156 /nfs/dbraw/zinc/74/61/56/1350746156.db2.gz ZBNFELOVUQDMOB-SNVBAGLBSA-N -1 1 349.354 2.066 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603734159 1350754313 /nfs/dbraw/zinc/75/43/13/1350754313.db2.gz BNJYAANLGJRQRB-SECBINFHSA-N -1 1 329.385 2.467 20 0 EEADMM C[C@@H]1C[C@H]1N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001603872809 1350789368 /nfs/dbraw/zinc/78/93/68/1350789368.db2.gz VKRJLVMIQHDFLK-MLGOLLRUSA-N -1 1 334.383 2.246 20 0 EEADMM C[C@@H]1C[C@H]1N(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001603872809 1350789370 /nfs/dbraw/zinc/78/93/70/1350789370.db2.gz VKRJLVMIQHDFLK-MLGOLLRUSA-N -1 1 334.383 2.246 20 0 EEADMM CC(C)c1cccc(NC(=O)CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC001604008795 1350828477 /nfs/dbraw/zinc/82/84/77/1350828477.db2.gz IXHHBTBAGHKYEN-CVEARBPZSA-N -1 1 334.416 2.360 20 0 EEADMM CC(C)c1nc(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC001604021166 1350831263 /nfs/dbraw/zinc/83/12/63/1350831263.db2.gz RCTDQJSRKWOEOB-UHFFFAOYSA-N -1 1 339.302 2.226 20 0 EEADMM CCC(CC)n1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001604027836 1350833648 /nfs/dbraw/zinc/83/36/48/1350833648.db2.gz PNPFFZFOUGMXDX-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CCC(CC)n1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001604027836 1350833650 /nfs/dbraw/zinc/83/36/50/1350833650.db2.gz PNPFFZFOUGMXDX-UHFFFAOYSA-N -1 1 341.375 2.176 20 0 EEADMM CC[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001604069935 1350846504 /nfs/dbraw/zinc/84/65/04/1350846504.db2.gz AQKGXFGXKGDLLI-VIFPVBQESA-N -1 1 338.389 2.205 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604134290 1350868813 /nfs/dbraw/zinc/86/88/13/1350868813.db2.gz FEQSIVUJRXHEIO-SWLSCSKDSA-N -1 1 328.420 2.231 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604134290 1350868816 /nfs/dbraw/zinc/86/88/16/1350868816.db2.gz FEQSIVUJRXHEIO-SWLSCSKDSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)c1ccc(NC(=O)[C@@H](C)CN2CCOCC2)c(C(=O)[O-])c1 ZINC001604166885 1350881877 /nfs/dbraw/zinc/88/18/77/1350881877.db2.gz IZUKOYODRJWQII-ZDUSSCGKSA-N -1 1 334.416 2.415 20 0 EEADMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001604381872 1350926708 /nfs/dbraw/zinc/92/67/08/1350926708.db2.gz RNPOQMCSGMZPAL-UHFFFAOYSA-N -1 1 342.315 2.280 20 0 EEADMM CCOCCCCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001604429008 1350936450 /nfs/dbraw/zinc/93/64/50/1350936450.db2.gz ZKIIAKIAHMJMQM-UHFFFAOYSA-N -1 1 338.437 2.191 20 0 EEADMM CCOCCCCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001604429008 1350936452 /nfs/dbraw/zinc/93/64/52/1350936452.db2.gz ZKIIAKIAHMJMQM-UHFFFAOYSA-N -1 1 338.437 2.191 20 0 EEADMM CCc1c(NC(=O)c2coc(-c3nnn[n-]3)c2)onc1C(F)(F)F ZINC001604504620 1350950501 /nfs/dbraw/zinc/95/05/01/1350950501.db2.gz YPWQEXFULOMKGH-UHFFFAOYSA-N -1 1 342.237 2.281 20 0 EEADMM CCc1c(NC(=O)c2coc(-c3nn[n-]n3)c2)onc1C(F)(F)F ZINC001604504620 1350950503 /nfs/dbraw/zinc/95/05/03/1350950503.db2.gz YPWQEXFULOMKGH-UHFFFAOYSA-N -1 1 342.237 2.281 20 0 EEADMM CCc1nc(N[C@@H]2COc3c2ccc(C)c3C)cc(-c2nnn[n-]2)n1 ZINC001604562652 1350961483 /nfs/dbraw/zinc/96/14/83/1350961483.db2.gz WSPWPLPUOVOVOH-CYBMUJFWSA-N -1 1 337.387 2.382 20 0 EEADMM CCc1nc(N[C@@H]2COc3c2ccc(C)c3C)cc(-c2nn[n-]n2)n1 ZINC001604562652 1350961486 /nfs/dbraw/zinc/96/14/86/1350961486.db2.gz WSPWPLPUOVOVOH-CYBMUJFWSA-N -1 1 337.387 2.382 20 0 EEADMM CCc1nc(NCCc2noc3ccccc23)cc(-c2nnn[n-]2)n1 ZINC001604567171 1350962311 /nfs/dbraw/zinc/96/23/11/1350962311.db2.gz BKZGXNKWAVDQRH-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM CCc1nc(NCCc2noc3ccccc23)cc(-c2nn[n-]n2)n1 ZINC001604567171 1350962313 /nfs/dbraw/zinc/96/23/13/1350962313.db2.gz BKZGXNKWAVDQRH-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM C[C@@]1(O)CCCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001604594967 1350967196 /nfs/dbraw/zinc/96/71/96/1350967196.db2.gz BIKAVJXKIADOCV-GOSISDBHSA-N -1 1 330.384 2.286 20 0 EEADMM CC1CCC2(CC(=O)N(CN3CCC[C@](C)(C(=O)[O-])C3)C2=O)CC1 ZINC001604707580 1350989128 /nfs/dbraw/zinc/98/91/28/1350989128.db2.gz HCQXYMLQRLCWHY-VXVMZULRSA-N -1 1 336.432 2.086 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001604767678 1350999201 /nfs/dbraw/zinc/99/92/01/1350999201.db2.gz VQJHHAWWYZTDMA-XAYKYTGQSA-N -1 1 341.411 2.278 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001605021835 1351057967 /nfs/dbraw/zinc/05/79/67/1351057967.db2.gz VDIUGBYCPYRNDL-AQUOVQTQSA-N -1 1 329.408 2.006 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001605021835 1351057972 /nfs/dbraw/zinc/05/79/72/1351057972.db2.gz VDIUGBYCPYRNDL-AQUOVQTQSA-N -1 1 329.408 2.006 20 0 EEADMM COCC[C@@H](Cc1ccco1)Nc1nc(-c2nn[n-]n2)ccc1C ZINC001605078948 1351074056 /nfs/dbraw/zinc/07/40/56/1351074056.db2.gz HTMASTSHQXYGHB-LBPRGKRZSA-N -1 1 328.376 2.223 20 0 EEADMM CCC[C@](C)(NCc1nc(N)nc(Nc2ccccc2C)n1)C(=O)[O-] ZINC001605199325 1351101336 /nfs/dbraw/zinc/10/13/36/1351101336.db2.gz KYBOSCWVVHWIMP-KRWDZBQOSA-N -1 1 344.419 2.239 20 0 EEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc(Cl)c1OC ZINC001605232380 1351110572 /nfs/dbraw/zinc/11/05/72/1351110572.db2.gz VCINAVLDAVMFFM-UHFFFAOYSA-N -1 1 349.734 2.383 20 0 EEADMM COc1cc(SC)ccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605238909 1351113665 /nfs/dbraw/zinc/11/36/65/1351113665.db2.gz PAVTZHYSWGFTGG-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1cc(SC)ccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605238909 1351113667 /nfs/dbraw/zinc/11/36/67/1351113667.db2.gz PAVTZHYSWGFTGG-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1ccc([C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1F ZINC001605267893 1351119706 /nfs/dbraw/zinc/11/97/06/1351119706.db2.gz CNJKMGDVSFWDKC-LBPRGKRZSA-N -1 1 340.362 2.403 20 0 EEADMM COc1ccc([C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1F ZINC001605267893 1351119707 /nfs/dbraw/zinc/11/97/07/1351119707.db2.gz CNJKMGDVSFWDKC-LBPRGKRZSA-N -1 1 340.362 2.403 20 0 EEADMM COc1ccc(O[C@@H](C)CNc2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC001605303735 1351131223 /nfs/dbraw/zinc/13/12/23/1351131223.db2.gz UTTWLLDCNQLCMQ-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM CS[C@@H]1CCCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605371157 1351146839 /nfs/dbraw/zinc/14/68/39/1351146839.db2.gz JDSPJGYGWQKMKB-SNVBAGLBSA-N -1 1 335.408 2.364 20 0 EEADMM CS[C@@H]1CCCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605371157 1351146840 /nfs/dbraw/zinc/14/68/40/1351146840.db2.gz JDSPJGYGWQKMKB-SNVBAGLBSA-N -1 1 335.408 2.364 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N(C)c2ccsc2)cc1-c1nn[n-]n1 ZINC001605380813 1351149662 /nfs/dbraw/zinc/14/96/62/1351149662.db2.gz OUYDOUOAZDOYCX-UHFFFAOYSA-N -1 1 348.413 2.027 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605387711 1351151360 /nfs/dbraw/zinc/15/13/60/1351151360.db2.gz NYEQTJMANLDRRJ-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605387711 1351151363 /nfs/dbraw/zinc/15/13/63/1351151363.db2.gz NYEQTJMANLDRRJ-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CCN(CC)c1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001605434810 1351157513 /nfs/dbraw/zinc/15/75/13/1351157513.db2.gz CZCXUMGKEWBPLC-OAHLLOKOSA-N -1 1 347.459 2.154 20 0 EEADMM C[C@]1(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C[C@@H]1c1ccccc1 ZINC001605447893 1351159254 /nfs/dbraw/zinc/15/92/54/1351159254.db2.gz KHSLWPOWJOISMG-BMIGLBTASA-N -1 1 326.385 2.456 20 0 EEADMM C[C@]1(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C[C@@H]1c1ccccc1 ZINC001605447893 1351159258 /nfs/dbraw/zinc/15/92/58/1351159258.db2.gz KHSLWPOWJOISMG-BMIGLBTASA-N -1 1 326.385 2.456 20 0 EEADMM CCN1CCC(NC(=O)c2ccc(C(=O)[O-])o2)(C(F)(F)F)CC1 ZINC001605472111 1351164790 /nfs/dbraw/zinc/16/47/90/1351164790.db2.gz GMNMBHQSDLKLCG-UHFFFAOYSA-N -1 1 334.294 2.124 20 0 EEADMM CCNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001605497337 1351171405 /nfs/dbraw/zinc/17/14/05/1351171405.db2.gz LFHSATWYWOQGGH-QGZVFWFLSA-N -1 1 342.395 2.360 20 0 EEADMM Cc1cc(-c2nnc(NCc3nc(-c4nnn[n-]4)cs3)o2)c(C)o1 ZINC001605504828 1351173457 /nfs/dbraw/zinc/17/34/57/1351173457.db2.gz KMKKSKFYFGXOKM-UHFFFAOYSA-N -1 1 344.360 2.195 20 0 EEADMM Cc1cc(-c2nnc(NCc3nc(-c4nn[n-]n4)cs3)o2)c(C)o1 ZINC001605504828 1351173460 /nfs/dbraw/zinc/17/34/60/1351173460.db2.gz KMKKSKFYFGXOKM-UHFFFAOYSA-N -1 1 344.360 2.195 20 0 EEADMM CCO[C@H]1C[C@](NC(=O)c2[nH]nc3c2CCCCC3)(C(=O)[O-])C1(C)C ZINC001605609327 1351200723 /nfs/dbraw/zinc/20/07/23/1351200723.db2.gz WGOGWOKZWIXMMO-UGSOOPFHSA-N -1 1 349.431 2.067 20 0 EEADMM CCc1cccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cc21 ZINC001605831642 1351231645 /nfs/dbraw/zinc/23/16/45/1351231645.db2.gz NXECYWINCRDUQB-CYBMUJFWSA-N -1 1 343.427 2.351 20 0 EEADMM CCc1nc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n[nH]1 ZINC001605852070 1351236694 /nfs/dbraw/zinc/23/66/94/1351236694.db2.gz SJMYSWFEZZLSMK-ZDUSSCGKSA-N -1 1 328.294 2.042 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2)c(-c2nnn[n-]2)n1 ZINC001605873646 1351243564 /nfs/dbraw/zinc/24/35/64/1351243564.db2.gz FPZZOJTZUYRJQU-INIZCTEOSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2)c(-c2nn[n-]n2)n1 ZINC001605873646 1351243568 /nfs/dbraw/zinc/24/35/68/1351243568.db2.gz FPZZOJTZUYRJQU-INIZCTEOSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc([C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001605884331 1351246076 /nfs/dbraw/zinc/24/60/76/1351246076.db2.gz YNCMGSWOTFTTFF-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccc([C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001605884331 1351246078 /nfs/dbraw/zinc/24/60/78/1351246078.db2.gz YNCMGSWOTFTTFF-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1[nH]nc(NC(=O)C=Cc2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC001606013682 1351263592 /nfs/dbraw/zinc/26/35/92/1351263592.db2.gz VJWRJMXORNFQGY-HJWRWDBZSA-N -1 1 346.354 2.098 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606107026 1351272034 /nfs/dbraw/zinc/27/20/34/1351272034.db2.gz IPBBVFFFKRCRGE-MRVPVSSYSA-N -1 1 346.416 2.125 20 0 EEADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)CC(C)C)c1-c1nn[n-]n1 ZINC001606159123 1351279222 /nfs/dbraw/zinc/27/92/22/1351279222.db2.gz UEWNOWAGTXSINC-NSHDSACASA-N -1 1 349.464 2.081 20 0 EEADMM Cc1nsc(NC[C@]2(CO)C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001606158832 1351279583 /nfs/dbraw/zinc/27/95/83/1351279583.db2.gz PZYMUCSNHWGJJD-LRDDRELGSA-N -1 1 342.428 2.210 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCC=CO2)nc(-c2nnn[n-]2)c1 ZINC001606292508 1351289493 /nfs/dbraw/zinc/28/94/93/1351289493.db2.gz XGGIEZYFDXYNEY-VIFPVBQESA-N -1 1 326.282 2.385 20 0 EEADMM FC(F)(F)c1cc(NC[C@@H]2CCC=CO2)nc(-c2nn[n-]n2)c1 ZINC001606292508 1351289497 /nfs/dbraw/zinc/28/94/97/1351289497.db2.gz XGGIEZYFDXYNEY-VIFPVBQESA-N -1 1 326.282 2.385 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CC2CCC1CC2 ZINC001606596773 1351329223 /nfs/dbraw/zinc/32/92/23/1351329223.db2.gz VBMAZAHGFBCUGJ-UXUKBGGZSA-N -1 1 327.388 2.174 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CC2CCC1CC2 ZINC001606596773 1351329225 /nfs/dbraw/zinc/32/92/25/1351329225.db2.gz VBMAZAHGFBCUGJ-UXUKBGGZSA-N -1 1 327.388 2.174 20 0 EEADMM O=C(NC1(CO)CCCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606640179 1351336320 /nfs/dbraw/zinc/33/63/20/1351336320.db2.gz NOFBDWOTJZDKQX-UHFFFAOYSA-N -1 1 335.433 2.133 20 0 EEADMM O=C(NC1(CO)CCCCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606640179 1351336321 /nfs/dbraw/zinc/33/63/21/1351336321.db2.gz NOFBDWOTJZDKQX-UHFFFAOYSA-N -1 1 335.433 2.133 20 0 EEADMM O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001606763347 1351353199 /nfs/dbraw/zinc/35/31/99/1351353199.db2.gz FXMIBUGDXPANRT-ZDUSSCGKSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001606763347 1351353206 /nfs/dbraw/zinc/35/32/06/1351353206.db2.gz FXMIBUGDXPANRT-ZDUSSCGKSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(Nc1cccc(F)c1[O-])C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001606935200 1351380011 /nfs/dbraw/zinc/38/00/11/1351380011.db2.gz CARMFFALSFSGCD-UHFFFAOYSA-N -1 1 339.330 2.382 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(Cc2cccs2)C1 ZINC001607032366 1351401903 /nfs/dbraw/zinc/40/19/03/1351401903.db2.gz YXFDTSCZRBPRJG-UHFFFAOYSA-N -1 1 331.426 2.304 20 0 EEADMM O=C1Nc2ccccc2CC[C@@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001607052426 1351404579 /nfs/dbraw/zinc/40/45/79/1351404579.db2.gz IZTUTEBEXXCRKZ-ZDUSSCGKSA-N -1 1 338.396 2.307 20 0 EEADMM O=C1Nc2ccccc2CC[C@@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001607052426 1351404581 /nfs/dbraw/zinc/40/45/81/1351404581.db2.gz IZTUTEBEXXCRKZ-ZDUSSCGKSA-N -1 1 338.396 2.307 20 0 EEADMM O=c1cnc2ccc(Cl)cc2n1Cc1ccc(-c2nn[n-]n2)s1 ZINC001607090630 1351413921 /nfs/dbraw/zinc/41/39/21/1351413921.db2.gz QDXPBYKVWRNOAA-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc(Cl)c2ccccc12 ZINC001607091827 1351414695 /nfs/dbraw/zinc/41/46/95/1351414695.db2.gz 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O=C([O-])c1cccc(NC(=O)CN2CCC[C@H]2Cc2ccccc2)n1 ZINC001608331072 1351671978 /nfs/dbraw/zinc/67/19/78/1351671978.db2.gz NMTCBQHMXGBOPD-HNNXBMFYSA-N -1 1 339.395 2.425 20 0 EEADMM O=C([O-])C1(NCC(=O)Nc2ccc3ccccc3c2)CCOCC1 ZINC001608339109 1351673427 /nfs/dbraw/zinc/67/34/27/1351673427.db2.gz JWAAQNCZBLEGTO-UHFFFAOYSA-N -1 1 328.368 2.002 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@H](c2ccccn2)C2CC2)c1 ZINC001608339493 1351674069 /nfs/dbraw/zinc/67/40/69/1351674069.db2.gz YWUBKCRFFYMCMB-KRWDZBQOSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001608410226 1351689011 /nfs/dbraw/zinc/68/90/11/1351689011.db2.gz KOVZAIMLYQKQPN-DLBZAZTESA-N -1 1 345.443 2.053 20 0 EEADMM O=C([O-])c1sccc1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001608454965 1351698897 /nfs/dbraw/zinc/69/88/97/1351698897.db2.gz XGLRDIYPQXOJGB-UHFFFAOYSA-N -1 1 342.380 2.204 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1nccc2occc21 ZINC001628144815 1352522974 /nfs/dbraw/zinc/52/29/74/1352522974.db2.gz 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333.432 2.094 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096259 1368138154 /nfs/dbraw/zinc/13/81/54/1368138154.db2.gz BOHIMQBQTXWKMY-DOMZBBRYSA-N -1 1 345.403 2.313 20 0 EEADMM O=C(N[C@H](c1ccnc(F)c1)C1CC1)c1n[n-]nc1C(F)(F)F ZINC001187773278 1368262641 /nfs/dbraw/zinc/26/26/41/1368262641.db2.gz DEHAOEMSJXIHTR-VIFPVBQESA-N -1 1 329.257 2.239 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(-n2cncn2)c1 ZINC001193897490 1368479916 /nfs/dbraw/zinc/47/99/16/1368479916.db2.gz CETYLFPHSOIFIW-UHFFFAOYSA-N -1 1 346.350 2.411 20 0 EEADMM CN(C)c1nc(NC(=S)NCc2ccccc2)c(N=O)c(=O)[n-]1 ZINC001195600245 1368555844 /nfs/dbraw/zinc/55/58/44/1368555844.db2.gz NQOQBBKKQDNYKA-UHFFFAOYSA-N -1 1 332.389 2.133 20 0 EEADMM O=C([N-]c1nnc(-c2ccco2)o1)c1cc(OC2CCC2)ncn1 ZINC001199469489 1368684499 /nfs/dbraw/zinc/68/44/99/1368684499.db2.gz IUYAZZBEMZCPNF-UHFFFAOYSA-N -1 1 327.300 2.303 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(NC(=S)Nc3ccccc3Cl)c2[nH]1 ZINC001200867095 1368764433 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CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000396367505 1370664847 /nfs/dbraw/zinc/66/48/47/1370664847.db2.gz PJBFZUHNKGVHIT-UHFFFAOYSA-N -1 1 334.369 2.216 20 0 EEADMM COc1ccc2ccccc2c1CCNC(=O)CCCc1nn[n-]n1 ZINC000830542913 1372334389 /nfs/dbraw/zinc/33/43/89/1372334389.db2.gz HTQINOKFWZHWKZ-UHFFFAOYSA-N -1 1 339.399 2.043 20 0 EEADMM Cc1ccccc1OCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830840763 1372353427 /nfs/dbraw/zinc/35/34/27/1372353427.db2.gz LYEFWLRBFMMFNK-HNNXBMFYSA-N -1 1 344.333 2.043 20 0 EEADMM CN(C)c1cccc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000830841718 1372353792 /nfs/dbraw/zinc/35/37/92/1372353792.db2.gz SZRXQSNLZNUPDW-HNNXBMFYSA-N -1 1 343.349 2.036 20 0 EEADMM O=C(Cc1coc2ccccc12)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831126140 1372365668 /nfs/dbraw/zinc/36/56/68/1372365668.db2.gz YSIJTQUONPNVRK-UHFFFAOYSA-N -1 1 340.301 2.112 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCn2c(nnc2C(F)F)C1 ZINC000834759348 1372565691 /nfs/dbraw/zinc/56/56/91/1372565691.db2.gz 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ZINC001362163221 1373373758 /nfs/dbraw/zinc/37/37/58/1373373758.db2.gz QZHVUHMKEIOOJW-CYBMUJFWSA-N -1 1 331.755 2.348 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cnc(SC)[n-]c2=O)C[C@@H]1OC ZINC001362347106 1373396739 /nfs/dbraw/zinc/39/67/39/1373396739.db2.gz KFBYDCXNZJUFTM-MNOVXSKESA-N -1 1 325.434 2.228 20 0 EEADMM CCC(CC)(NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001362420105 1373404841 /nfs/dbraw/zinc/40/48/41/1373404841.db2.gz ADTYFQPFVKALIR-LBPRGKRZSA-N -1 1 337.811 2.108 20 0 EEADMM CCc1c(C(=O)NC(CC)(CC)c2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC001362423002 1373406195 /nfs/dbraw/zinc/40/61/95/1373406195.db2.gz JIERMCGZCDELKM-UHFFFAOYSA-N -1 1 332.408 2.047 20 0 EEADMM CCOC(=O)[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(O)c1 ZINC001362454083 1373414195 /nfs/dbraw/zinc/41/41/95/1373414195.db2.gz VWSHJWUPWNZDOQ-HNNXBMFYSA-N -1 1 333.315 2.271 20 0 EEADMM Cc1ccc(CNC(=O)c2ccc([O-])cn2)c(OC[C@H]2CCOC2)c1 ZINC001362467460 1373417165 /nfs/dbraw/zinc/41/71/65/1373417165.db2.gz LABJUPMUEWNBLJ-AWEZNQCLSA-N -1 1 342.395 2.441 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(C)cn1 ZINC001364884661 1373624686 /nfs/dbraw/zinc/62/46/86/1373624686.db2.gz BLQLUUKHQBAWIS-UHFFFAOYSA-N -1 1 328.340 2.155 20 0 EEADMM CCOC(=O)c1nnc(NC(=O)c2cc(SC)ccc2[O-])s1 ZINC001365195115 1373680607 /nfs/dbraw/zinc/68/06/07/1373680607.db2.gz OFNQHSXNUSOMRC-UHFFFAOYSA-N -1 1 339.398 2.395 20 0 EEADMM CCCCC(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001371161492 1375269202 /nfs/dbraw/zinc/26/92/02/1375269202.db2.gz OHCFHVDFJGVGFT-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CCc2ccc(Cl)cc2)CC1 ZINC001374282361 1376643141 /nfs/dbraw/zinc/64/31/41/1376643141.db2.gz LDOYBJQZCPSUPK-UHFFFAOYSA-N -1 1 345.830 2.441 20 0 EEADMM CC(C)[C@@H](CNC(=O)CC1CCCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001378995277 1380362347 /nfs/dbraw/zinc/36/23/47/1380362347.db2.gz FMHZRKPZBMJTIX-CQSZACIVSA-N -1 1 337.468 2.101 20 0 EEADMM CC[C@H](C)CC(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379848652 1380916192 /nfs/dbraw/zinc/91/61/92/1380916192.db2.gz VKZJEKJPMXVZGY-SCLBCKFNSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)NC(C)=O ZINC001381065869 1381496996 /nfs/dbraw/zinc/49/69/96/1381496996.db2.gz JHECXZJNMCFWBK-ZDUSSCGKSA-N -1 1 336.436 2.039 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(F)(F)F ZINC001381076527 1381502111 /nfs/dbraw/zinc/50/21/11/1381502111.db2.gz GTNBQTGATDIOPT-SNVBAGLBSA-N -1 1 347.337 2.144 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C1CCCC1 ZINC001381962494 1381886542 /nfs/dbraw/zinc/88/65/42/1381886542.db2.gz MTCDGPVBRIPSCH-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(CC1CCC1)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001390904672 1388864322 /nfs/dbraw/zinc/86/43/22/1388864322.db2.gz YURQCAJQNSPMTH-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM Cc1cocc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001384531498 1384514111 /nfs/dbraw/zinc/51/41/11/1384514111.db2.gz GAPJLHHUTVPCBX-VXGBXAGGSA-N -1 1 331.372 2.016 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385566459 1385690552 /nfs/dbraw/zinc/69/05/52/1385690552.db2.gz GNZTXNSSRJBESP-SCLBCKFNSA-N -1 1 333.432 2.334 20 0 EEADMM CCC(CC)[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385628560 1385726102 /nfs/dbraw/zinc/72/61/02/1385726102.db2.gz UTPCTNFTBWAYSS-JSGCOSHPSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001386668029 1386248900 /nfs/dbraw/zinc/24/89/00/1386248900.db2.gz HRGUBSNWVWYNEG-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CCCCC1 ZINC001386744041 1386291576 /nfs/dbraw/zinc/29/15/76/1386291576.db2.gz OLKCZHMRTRNUDC-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCCc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001386819454 1386335597 /nfs/dbraw/zinc/33/55/97/1386335597.db2.gz CPDJGCCGUDKMQW-LLVKDONJSA-N -1 1 347.440 2.350 20 0 EEADMM O=C(CC1CCCCC1)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219668 1386577055 /nfs/dbraw/zinc/57/70/55/1386577055.db2.gz CSCHTBBWEPBFFL-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](CCNC(=O)C1CCC2(CC2)CC1)NC(=O)c1ncccc1[O-] ZINC001387532198 1386808293 /nfs/dbraw/zinc/80/82/93/1386808293.db2.gz HTZDZCWBHMPRBK-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H]1CCCC[C@@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001387696146 1386946830 /nfs/dbraw/zinc/94/68/30/1386946830.db2.gz OHAWKBQHKAOWDQ-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM CCC1(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C2CCCCC2)CCC1 ZINC001392170762 1389860052 /nfs/dbraw/zinc/86/00/52/1389860052.db2.gz HVKQDPCIUUMFJL-AWEZNQCLSA-N -1 1 349.479 2.245 20 0 EEADMM CCC(C)(C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001395454801 1390823900 /nfs/dbraw/zinc/82/39/00/1390823900.db2.gz JSJBAWXGWNIBCX-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM CN(C(=O)CCCC1CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001397719487 1391451512 /nfs/dbraw/zinc/45/15/12/1391451512.db2.gz KZOFBLLJSZQLIW-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1nc(C)c(C)s1 ZINC001399697568 1395416904 /nfs/dbraw/zinc/41/69/04/1395416904.db2.gz IPUSNXAXQAQKHD-UHFFFAOYSA-N -1 1 334.445 2.112 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)C1CCC1 ZINC001424389201 1401086125 /nfs/dbraw/zinc/08/61/25/1401086125.db2.gz QOZLUULLPUNRFI-CQSZACIVSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC1(C(=O)N2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001424496405 1401135883 /nfs/dbraw/zinc/13/58/83/1401135883.db2.gz BFNBBJLWOMCQDT-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001425648462 1401701927 /nfs/dbraw/zinc/70/19/27/1401701927.db2.gz BCRRXIDNVZHFBJ-GFCCVEGCSA-N -1 1 337.468 2.053 20 0 EEADMM Cc1cc(C(=O)NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])co1 ZINC001426519033 1402078674 /nfs/dbraw/zinc/07/86/74/1402078674.db2.gz AKQVVLBOVVNETN-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM Cc1ccsc1C(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428962992 1402856698 /nfs/dbraw/zinc/85/66/98/1402856698.db2.gz ZCNFUXOTJKJJGL-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CC1(C)CC1 ZINC001431988465 1403177541 /nfs/dbraw/zinc/17/75/41/1403177541.db2.gz NYHKNYYNOXLXRO-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)c1cccs1 ZINC001433864994 1403440322 /nfs/dbraw/zinc/44/03/22/1403440322.db2.gz IMFIPNRRJFZGLC-LLVKDONJSA-N -1 1 345.424 2.031 20 0 EEADMM COC(=O)C[C@](C)(NC(=O)c1ccc(F)c([O-])c1)c1ccncc1 ZINC001433936027 1403448840 /nfs/dbraw/zinc/44/88/40/1403448840.db2.gz SQCDVUJPDYZUAN-KRWDZBQOSA-N -1 1 332.331 2.135 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001434128599 1403457150 /nfs/dbraw/zinc/45/71/50/1403457150.db2.gz IQDAAZNENAZZAH-STQMWFEESA-N -1 1 347.415 2.353 20 0 EEADMM C[C@H](CNC(=O)c1cc2occc2s1)NC(=O)c1ncccc1[O-] ZINC001579976594 1403801576 /nfs/dbraw/zinc/80/15/76/1403801576.db2.gz UNFCKXQEXDXUPO-SECBINFHSA-N -1 1 345.380 2.143 20 0 EEADMM CC[C@@H]1COC(C)(C)CN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590523338 1403883278 /nfs/dbraw/zinc/88/32/78/1403883278.db2.gz JMQQKUQFHQGSIW-SSDOTTSWSA-N -1 1 328.829 2.370 20 0 EEADMM COc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1OC(C)C ZINC001591547695 1403925284 /nfs/dbraw/zinc/92/52/84/1403925284.db2.gz ISURDVRNLVTSNF-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1OC(C)C ZINC001591547695 1403925289 /nfs/dbraw/zinc/92/52/89/1403925289.db2.gz ISURDVRNLVTSNF-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1cccc(C(C)(C)CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001591638558 1403932333 /nfs/dbraw/zinc/93/23/33/1403932333.db2.gz WCEFFXSKOZAOEP-UHFFFAOYSA-N -1 1 341.371 2.176 20 0 EEADMM COc1cccc(C(C)(C)CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001591638558 1403932347 /nfs/dbraw/zinc/93/23/47/1403932347.db2.gz WCEFFXSKOZAOEP-UHFFFAOYSA-N -1 1 341.371 2.176 20 0 EEADMM Cc1nc(NC[C@@H](C)Oc2cccc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001592384975 1404026485 /nfs/dbraw/zinc/02/64/85/1404026485.db2.gz XGQWFVYIRIJWPI-SECBINFHSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1nc(NC[C@@H](C)Oc2cccc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001592384975 1404026493 /nfs/dbraw/zinc/02/64/93/1404026493.db2.gz XGQWFVYIRIJWPI-SECBINFHSA-N -1 1 345.794 2.498 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H]1CCCc2ccccc21 ZINC001592913769 1404729218 /nfs/dbraw/zinc/72/92/18/1404729218.db2.gz GSCFAGQEJSHZLV-OAHLLOKOSA-N -1 1 348.410 2.041 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H]1CCCc2ccccc21 ZINC001592913769 1404729221 /nfs/dbraw/zinc/72/92/21/1404729221.db2.gz GSCFAGQEJSHZLV-OAHLLOKOSA-N -1 1 348.410 2.041 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1NC1CCC1 ZINC001592915345 1404729822 /nfs/dbraw/zinc/72/98/22/1404729822.db2.gz JENNAOJGCVVALZ-UHFFFAOYSA-N -1 1 349.398 2.407 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1NC1CCC1 ZINC001592915345 1404729830 /nfs/dbraw/zinc/72/98/30/1404729830.db2.gz JENNAOJGCVVALZ-UHFFFAOYSA-N -1 1 349.398 2.407 20 0 EEADMM CN(Cc1cnc[nH]1)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001606146129 1404767019 /nfs/dbraw/zinc/76/70/19/1404767019.db2.gz SHAUEYAGJXGVTI-UHFFFAOYSA-N -1 1 345.380 2.082 20 0 EEADMM Cc1nsc(NC(=O)N(C)CCc2cccs2)c1-c1nnn[n-]1 ZINC001606149388 1404769320 /nfs/dbraw/zinc/76/93/20/1404769320.db2.gz OSNSYLJTZPZEKE-UHFFFAOYSA-N -1 1 349.445 2.400 20 0 EEADMM Cc1nsc(NC(=O)N(C)CCc2cccs2)c1-c1nn[n-]n1 ZINC001606149388 1404769322 /nfs/dbraw/zinc/76/93/22/1404769322.db2.gz OSNSYLJTZPZEKE-UHFFFAOYSA-N -1 1 349.445 2.400 20 0 EEADMM Cc1nsc(NCc2nccc(C(F)(F)F)n2)c1-c1nn[n-]n1 ZINC001606162907 1404771365 /nfs/dbraw/zinc/77/13/65/1404771365.db2.gz TTWRUXGNQUGNRZ-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1oc(NC(=O)CN(C)Cc2ccsc2)c(-c2nn[n-]n2)c1C ZINC001606173808 1404772941 /nfs/dbraw/zinc/77/29/41/1404772941.db2.gz IUCWMXZNYIIECX-UHFFFAOYSA-N -1 1 346.416 2.209 20 0 EEADMM Clc1cccc2c1OCCC[C@@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001606195710 1404775758 /nfs/dbraw/zinc/77/57/58/1404775758.db2.gz IDUFMKRQWYSEPJ-NSHDSACASA-N -1 1 343.778 2.058 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cnc1Cl ZINC000117227826 1404900245 /nfs/dbraw/zinc/90/02/45/1404900245.db2.gz AWHIVRXQWIDPDG-UHFFFAOYSA-N -1 1 349.803 2.425 20 0 EEADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1Cl ZINC001771639227 1409808406 /nfs/dbraw/zinc/80/84/06/1409808406.db2.gz CMEIMLGAHDFXRT-UHFFFAOYSA-N -1 1 337.850 2.285 20 0 EEADMM O=C([O-])c1cnn(C2CCN(Cc3ccnn3CC3CC3)CC2)c1 ZINC001771907320 1409975942 /nfs/dbraw/zinc/97/59/42/1409975942.db2.gz IONBCWSFSKHBRT-UHFFFAOYSA-N -1 1 329.404 2.025 20 0 EEADMM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@@H](CO)C(=O)[O-] ZINC001771912183 1409978458 /nfs/dbraw/zinc/97/84/58/1409978458.db2.gz QWLHXHYLCVWHQS-LBPRGKRZSA-N -1 1 344.198 2.023 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@H]2CCC(=O)N(C)C2)cc1 ZINC001167253725 757578367 /nfs/dbraw/zinc/57/83/67/757578367.db2.gz WUPLANIUNRMPOF-GWCFXTLKSA-N -1 1 343.349 2.459 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCc2ccc(C)cc2)o1 ZINC000785165683 760950662 /nfs/dbraw/zinc/95/06/62/760950662.db2.gz VUWHHQGKKZMAIN-UHFFFAOYSA-N -1 1 337.397 2.286 20 0 EEADMM Cc1cc(C)nc(N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174617 769241091 /nfs/dbraw/zinc/24/10/91/769241091.db2.gz HJUHLCMTVMSTIM-ZDUSSCGKSA-N -1 1 329.404 2.061 20 0 EEADMM O=C(NCC[NH2+][C@H]1CCc2c1c(F)ccc2F)c1ncccc1[O-] ZINC001126124607 770021956 /nfs/dbraw/zinc/02/19/56/770021956.db2.gz CRPAXEHEYRGFHC-ZDUSSCGKSA-N -1 1 333.338 2.072 20 0 EEADMM O=C(NCC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1)c1ncccc1[O-] ZINC001031628291 770453549 /nfs/dbraw/zinc/45/35/49/770453549.db2.gz GVLHFLGOUKTHSQ-LLVKDONJSA-N -1 1 344.242 2.033 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979678994 770871600 /nfs/dbraw/zinc/87/16/00/770871600.db2.gz IJXBTNLGUGVAPR-MJBXVCDLSA-N -1 1 345.443 2.190 20 0 EEADMM O=S(=O)([N-][C@@H](c1ccccn1)C1CC1)c1c[nH]nc1C(F)(F)F ZINC000921429534 773366864 /nfs/dbraw/zinc/36/68/64/773366864.db2.gz XHDIJYYCIZAJCD-LLVKDONJSA-N -1 1 346.334 2.253 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1cccc(Cl)n1)c1ncccc1[O-] ZINC001027844735 773439356 /nfs/dbraw/zinc/43/93/56/773439356.db2.gz WSUBSIFHSRBXKO-ZDUSSCGKSA-N -1 1 346.818 2.230 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000939538586 776805923 /nfs/dbraw/zinc/80/59/23/776805923.db2.gz IPRXREDCBHCZDS-KSMMKXTCSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2sc(N)nc2[O-])cc1 ZINC000080665461 777097393 /nfs/dbraw/zinc/09/73/93/777097393.db2.gz LTEKQJHEYOQJJA-CYBMUJFWSA-N -1 1 333.457 2.078 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000940832250 779377800 /nfs/dbraw/zinc/37/78/00/779377800.db2.gz AWFFLMLLQBOTAJ-AWEZNQCLSA-N -1 1 343.427 2.042 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000936873223 779816521 /nfs/dbraw/zinc/81/65/21/779816521.db2.gz BJQLDJAUGHFDHC-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM O=C([N-]NC(=O)c1cccc(Br)c1)c1ccc(F)cn1 ZINC000182907644 779954080 /nfs/dbraw/zinc/95/40/80/779954080.db2.gz STSSDDKITHZZNQ-UHFFFAOYSA-N -1 1 338.136 2.058 20 0 EEADMM CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000893835127 780213739 /nfs/dbraw/zinc/21/37/39/780213739.db2.gz JNCRJTOMAJMYKZ-WCQYABFASA-N -1 1 344.205 2.031 20 0 EEADMM COCc1nc(N2CC[C@]3(C2)CCc2ccccc2O3)cc(=O)[n-]1 ZINC000893909107 780313118 /nfs/dbraw/zinc/31/31/18/780313118.db2.gz WMGLNDSZROSRPW-SFHVURJKSA-N -1 1 327.384 2.303 20 0 EEADMM CCc1ncc(NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cn1 ZINC000183324470 780769778 /nfs/dbraw/zinc/76/97/78/780769778.db2.gz UCMPQAFAUQXHBQ-UHFFFAOYSA-N -1 1 337.742 2.298 20 0 EEADMM CC(C)(F)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995286879 783325550 /nfs/dbraw/zinc/32/55/50/783325550.db2.gz HNPGJDUPRYQROP-FZKQIMNGSA-N -1 1 349.406 2.036 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000816740442 784230755 /nfs/dbraw/zinc/23/07/55/784230755.db2.gz CJVSXDNGQZCYHV-UHFFFAOYSA-N -1 1 338.408 2.447 20 0 EEADMM Cc1ccc2occ(CC(=O)N3CCSC[C@H]3c3nn[n-]n3)c2c1 ZINC000907482660 784689532 /nfs/dbraw/zinc/68/95/32/784689532.db2.gz SGDUICTYEZUDGK-ZDUSSCGKSA-N -1 1 343.412 2.114 20 0 EEADMM CC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(N)=O ZINC000817452843 784773260 /nfs/dbraw/zinc/77/32/60/784773260.db2.gz CCXBAKRNPRKUBF-SECBINFHSA-N -1 1 325.142 2.465 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2-n2cccc2)CC1 ZINC000907731039 784832304 /nfs/dbraw/zinc/83/23/04/784832304.db2.gz MSMFHIDHTQBZPM-OAHLLOKOSA-N -1 1 341.411 2.098 20 0 EEADMM COC(=O)c1ccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)s1 ZINC000817675588 784888883 /nfs/dbraw/zinc/88/88/83/784888883.db2.gz RRGUFTIBADAEJF-UHFFFAOYSA-N -1 1 349.412 2.392 20 0 EEADMM O=S(=O)(CCOCC1CC1)[N-]c1c(F)cccc1-n1cccn1 ZINC000818049166 785191443 /nfs/dbraw/zinc/19/14/43/785191443.db2.gz ANCRGWPHMXVOJH-UHFFFAOYSA-N -1 1 339.392 2.180 20 0 EEADMM O=C(C[C@H]1C=CCC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC000995715145 785279142 /nfs/dbraw/zinc/27/91/42/785279142.db2.gz HTMNLQLMDGCWQU-XGUBFFRZSA-N -1 1 341.411 2.005 20 0 EEADMM Cc1cccc2c1OC[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC000908302687 785322861 /nfs/dbraw/zinc/32/28/61/785322861.db2.gz ZFVXOMBRYDPOHA-CYBMUJFWSA-N -1 1 325.368 2.102 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N(C)C[C@](C)(O)c1ccccc1 ZINC000819712426 785652166 /nfs/dbraw/zinc/65/21/66/785652166.db2.gz MTSZVAZHBIVCHK-KRWDZBQOSA-N -1 1 347.440 2.192 20 0 EEADMM COC1(C(=O)Nc2cccc([O-])c2Br)CCOCC1 ZINC000908708345 785661818 /nfs/dbraw/zinc/66/18/18/785661818.db2.gz TWUKXUYVZWPYHK-UHFFFAOYSA-N -1 1 330.178 2.289 20 0 EEADMM CC[C@@](C)(NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C(=O)[O-] ZINC000908745126 785683940 /nfs/dbraw/zinc/68/39/40/785683940.db2.gz YOACQNHYEUUXDF-SUMWQHHRSA-N -1 1 337.420 2.359 20 0 EEADMM CC[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1ccco1)N1CCCC1)C1CC1 ZINC000908746780 785685736 /nfs/dbraw/zinc/68/57/36/785685736.db2.gz DVENNGMPPRAJQE-HUUCEWRRSA-N -1 1 349.431 2.454 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@@H](C)C(=O)[O-] ZINC000908746729 785685886 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CCc1noc2ncc(S(=O)(=O)[N-]c3[nH]nc(C4CC4)c3C)cc12 ZINC000762575829 577703474 /nfs/dbraw/zinc/70/34/74/577703474.db2.gz HNBWBYCRKHMWAL-UHFFFAOYSA-N -1 1 347.400 2.495 20 0 EEADMM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000751287663 577750302 /nfs/dbraw/zinc/75/03/02/577750302.db2.gz BHKBLQXAYQFTOP-OAHLLOKOSA-N -1 1 347.392 2.453 20 0 EEADMM Cc1nn(C(C)(C)C)cc1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000752194163 577767152 /nfs/dbraw/zinc/76/71/52/577767152.db2.gz MHYXDLOMKMPNBL-UHFFFAOYSA-N -1 1 335.326 2.172 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(F)(F)C2(O)CCC2)c1 ZINC000753405779 577786759 /nfs/dbraw/zinc/78/67/59/577786759.db2.gz MKLBDYGTPSJGPX-UHFFFAOYSA-N -1 1 328.311 2.231 20 0 EEADMM CCC1(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)COC1 ZINC000753821456 577794509 /nfs/dbraw/zinc/79/45/09/577794509.db2.gz TWUPXQZREQIBHI-UHFFFAOYSA-N -1 1 326.418 2.115 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)OCCc2c(C)nc3nc[n-]n3c2=O)C1(C)C ZINC000753951532 577797322 /nfs/dbraw/zinc/79/73/22/577797322.db2.gz 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/nfs/dbraw/zinc/99/53/48/577995348.db2.gz VTSFWSPDVANBKJ-JTQLQIEISA-N -1 1 328.324 2.079 20 0 EEADMM Cc1cccnc1[C@H](NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C ZINC000738785026 578026779 /nfs/dbraw/zinc/02/67/79/578026779.db2.gz FPOWEMNLOIVKHR-GOEBONIOSA-N -1 1 335.448 2.292 20 0 EEADMM Cc1cn2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc2[nH+]1 ZINC000738798026 578027170 /nfs/dbraw/zinc/02/71/70/578027170.db2.gz FTWWMZRPPWADHI-UHFFFAOYSA-N -1 1 349.368 2.352 20 0 EEADMM Brc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735368513 578149801 /nfs/dbraw/zinc/14/98/01/578149801.db2.gz MXVCMCCXODXNSF-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735368513 578149802 /nfs/dbraw/zinc/14/98/02/578149802.db2.gz MXVCMCCXODXNSF-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(C)CO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000735839507 578170704 /nfs/dbraw/zinc/17/07/04/578170704.db2.gz WYSDQGKUFONERL-KBPBESRZSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)CO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000735839507 578170705 /nfs/dbraw/zinc/17/07/05/578170705.db2.gz WYSDQGKUFONERL-KBPBESRZSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735923644 578174162 /nfs/dbraw/zinc/17/41/62/578174162.db2.gz NUCKSTNCTBLNSW-STQMWFEESA-N -1 1 337.387 2.213 20 0 EEADMM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)N1CCCCCC1 ZINC000736210512 578187409 /nfs/dbraw/zinc/18/74/09/578187409.db2.gz GFFDPJINQNIZAL-ABAIWWIYSA-N -1 1 340.370 2.471 20 0 EEADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736302052 578194218 /nfs/dbraw/zinc/19/42/18/578194218.db2.gz PPHRQHXNEUEOOE-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736302052 578194219 /nfs/dbraw/zinc/19/42/19/578194219.db2.gz PPHRQHXNEUEOOE-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM CCc1csc([C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC000736699610 578218597 /nfs/dbraw/zinc/21/85/97/578218597.db2.gz OFOGPUYIEAFWQJ-JTQLQIEISA-N -1 1 342.432 2.060 20 0 EEADMM CCc1csc([C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC000736699610 578218598 /nfs/dbraw/zinc/21/85/98/578218598.db2.gz OFOGPUYIEAFWQJ-JTQLQIEISA-N -1 1 342.432 2.060 20 0 EEADMM CCn1nc(C)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1C ZINC000736727116 578220388 /nfs/dbraw/zinc/22/03/88/578220388.db2.gz BJDAUNSKIQVIOD-UHFFFAOYSA-N -1 1 332.799 2.360 20 0 EEADMM CCn1nc(C)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1C ZINC000736727116 578220389 /nfs/dbraw/zinc/22/03/89/578220389.db2.gz BJDAUNSKIQVIOD-UHFFFAOYSA-N -1 1 332.799 2.360 20 0 EEADMM CC1(C)CCCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000736732865 578220880 /nfs/dbraw/zinc/22/08/80/578220880.db2.gz RZEPBNHZSVCVLV-MRXNPFEDSA-N -1 1 330.428 2.147 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736785636 578223398 /nfs/dbraw/zinc/22/33/98/578223398.db2.gz UOPFVFKGHZWPQV-GJZGRUSLSA-N -1 1 340.464 2.075 20 0 EEADMM CN(CCC1CCCCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736792775 578223934 /nfs/dbraw/zinc/22/39/34/578223934.db2.gz OATWVAANZCQMNX-MRXNPFEDSA-N -1 1 342.447 2.295 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@@H](C)Cc1ccc(C)cc1)C(=O)[O-] ZINC000736880467 578228202 /nfs/dbraw/zinc/22/82/02/578228202.db2.gz XLYBQMIDPGSVHT-MPGHIAIKSA-N -1 1 334.460 2.473 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](c1ncccc1C)C(C)C)C(=O)[O-] ZINC000736889732 578228306 /nfs/dbraw/zinc/22/83/06/578228306.db2.gz YUZBBCHHYHRPQI-YLQAJVPDSA-N -1 1 335.448 2.292 20 0 EEADMM CCCc1nnc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)[nH]1 ZINC000737050361 578235200 /nfs/dbraw/zinc/23/52/00/578235200.db2.gz HZBMKZAUPSEJRZ-UKRRQHHQSA-N -1 1 348.378 2.096 20 0 EEADMM CCCc1n[nH]c([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)n1 ZINC000737050361 578235201 /nfs/dbraw/zinc/23/52/01/578235201.db2.gz HZBMKZAUPSEJRZ-UKRRQHHQSA-N -1 1 348.378 2.096 20 0 EEADMM CCc1cc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n[nH]1 ZINC000737254592 578246325 /nfs/dbraw/zinc/24/63/25/578246325.db2.gz QVDKSLRKTWNUQZ-UHFFFAOYSA-N -1 1 331.376 2.404 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1nccnc1-c1nnn[n-]1 ZINC000737261957 578246656 /nfs/dbraw/zinc/24/66/56/578246656.db2.gz AQRZZJAUQAHSOR-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1nccnc1-c1nn[n-]n1 ZINC000737261957 578246657 /nfs/dbraw/zinc/24/66/57/578246657.db2.gz AQRZZJAUQAHSOR-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1ccc(-c2nc(Cn3cccc(-c4nn[n-]n4)c3=O)co2)cc1 ZINC000737290306 578248350 /nfs/dbraw/zinc/24/83/50/578248350.db2.gz ZKVJBCIDVFMXBP-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Cc1cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)o1 ZINC000737444951 578257977 /nfs/dbraw/zinc/25/79/77/578257977.db2.gz DFNRWWHJQZCXPN-UHFFFAOYSA-N -1 1 342.746 2.180 20 0 EEADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)sc1C ZINC000737468175 578259312 /nfs/dbraw/zinc/25/93/12/578259312.db2.gz ODOQHMWCBGXWGM-UHFFFAOYSA-N -1 1 343.416 2.000 20 0 EEADMM Cc1nc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)sc1C ZINC000737468175 578259313 /nfs/dbraw/zinc/25/93/13/578259313.db2.gz ODOQHMWCBGXWGM-UHFFFAOYSA-N -1 1 343.416 2.000 20 0 EEADMM Cc1noc(C)c1CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737538529 578263014 /nfs/dbraw/zinc/26/30/14/578263014.db2.gz SMKRTLHGFTXWGX-UHFFFAOYSA-N -1 1 336.359 2.051 20 0 EEADMM Cc1noc(C)c1CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737538529 578263015 /nfs/dbraw/zinc/26/30/15/578263015.db2.gz SMKRTLHGFTXWGX-UHFFFAOYSA-N -1 1 336.359 2.051 20 0 EEADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737552434 578263745 /nfs/dbraw/zinc/26/37/45/578263745.db2.gz QFEOEQGEBYIVJX-SECBINFHSA-N -1 1 349.391 2.240 20 0 EEADMM CC(C)[C@@H](CNc1c2ccccc2nnc1C(=O)[O-])N1CCOCC1 ZINC000737613596 578266746 /nfs/dbraw/zinc/26/67/46/578266746.db2.gz WVISERNKUCCNCZ-OAHLLOKOSA-N -1 1 344.415 2.097 20 0 EEADMM Fc1cc(Br)ccc1Oc1nccnc1-c1nn[n-]n1 ZINC000737643224 578268402 /nfs/dbraw/zinc/26/84/02/578268402.db2.gz DDVRQYUHMJSSAQ-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021402 578276745 /nfs/dbraw/zinc/27/67/45/578276745.db2.gz BWVNMQVHAPVRBS-YRGRVCCFSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021402 578276746 /nfs/dbraw/zinc/27/67/46/578276746.db2.gz BWVNMQVHAPVRBS-YRGRVCCFSA-N -1 1 326.404 2.350 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC000819380173 597048521 /nfs/dbraw/zinc/04/85/21/597048521.db2.gz JHHUABQWMPTBDV-HIFRSBDPSA-N -1 1 334.391 2.286 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC[C@H](CC(=O)[O-])C3)o2)cc1 ZINC000818570774 597071841 /nfs/dbraw/zinc/07/18/41/597071841.db2.gz VEPKGOVSGSVFJW-GFCCVEGCSA-N -1 1 331.372 2.432 20 0 EEADMM O=C([O-])[C@H]1CCN(Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000821512028 598130079 /nfs/dbraw/zinc/13/00/79/598130079.db2.gz ZCKVUJLSBAKROA-JTQLQIEISA-N -1 1 342.189 2.127 20 0 EEADMM Cc1ccn(Cc2coc(-c3ccccc3)n2)c(=O)c1-c1nn[n-]n1 ZINC000822374335 607349542 /nfs/dbraw/zinc/34/95/42/607349542.db2.gz RPFWXLGXLUVCSD-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM COC(=O)N(C)Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821663580 599441597 /nfs/dbraw/zinc/44/15/97/599441597.db2.gz FABPUVBYGVDSNS-UHFFFAOYSA-N -1 1 342.359 2.270 20 0 EEADMM COC(=O)N(C)Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821663580 599441599 /nfs/dbraw/zinc/44/15/99/599441599.db2.gz FABPUVBYGVDSNS-UHFFFAOYSA-N -1 1 342.359 2.270 20 0 EEADMM Clc1nsc(N2CCC[C@@H](n3ccnc3)C2)c1-c1nn[n-]n1 ZINC000822591843 599524227 /nfs/dbraw/zinc/52/42/27/599524227.db2.gz YHTABRNNHJZDJT-MRVPVSSYSA-N -1 1 336.812 2.015 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCC1CCCCC1 ZINC000826418619 607864031 /nfs/dbraw/zinc/86/40/31/607864031.db2.gz OOFSFZAGRUDQGW-UHFFFAOYSA-N -1 1 333.367 2.081 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCC1CCCCC1 ZINC000826418619 607864032 /nfs/dbraw/zinc/86/40/32/607864032.db2.gz OOFSFZAGRUDQGW-UHFFFAOYSA-N -1 1 333.367 2.081 20 0 EEADMM CN(C)C(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830574759 600737076 /nfs/dbraw/zinc/73/70/76/600737076.db2.gz AIGYBWQBSBZKNB-INIZCTEOSA-N -1 1 330.359 2.443 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)o1 ZINC000829679697 600906943 /nfs/dbraw/zinc/90/69/43/600906943.db2.gz GKIRYYMJSRFNEQ-OAHLLOKOSA-N -1 1 331.372 2.072 20 0 EEADMM CC1(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)COC1 ZINC000828089110 600986119 /nfs/dbraw/zinc/98/61/19/600986119.db2.gz RRQSDGQMWWVSJC-HNNXBMFYSA-N -1 1 338.835 2.120 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(CCCCCO)CC1 ZINC000833169337 600986913 /nfs/dbraw/zinc/98/69/13/600986913.db2.gz AWXZCMXBJSITKL-MRXNPFEDSA-N -1 1 340.851 2.246 20 0 EEADMM Cc1ccc(OCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832950760 601107435 /nfs/dbraw/zinc/10/74/35/601107435.db2.gz GFNZRNPMZIVWET-INIZCTEOSA-N -1 1 348.443 2.080 20 0 EEADMM CN(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000830584784 601108632 /nfs/dbraw/zinc/10/86/32/601108632.db2.gz BGPAUSDKLFWYSN-OAHLLOKOSA-N -1 1 347.802 2.466 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000827374797 601121994 /nfs/dbraw/zinc/12/19/94/601121994.db2.gz LVXOHXFKYNIXNC-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)N[C@@H](C)c2ccccc2)CC1 ZINC000827709720 601337991 /nfs/dbraw/zinc/33/79/91/601337991.db2.gz DWXHCMHTFBAYGL-KGLIPLIRSA-N -1 1 335.473 2.103 20 0 EEADMM Cc1cc(C)cc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832879037 601338393 /nfs/dbraw/zinc/33/83/93/601338393.db2.gz OXOIQUKZXNYOIC-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C#N)cn2)c1C ZINC000320803011 601360125 /nfs/dbraw/zinc/36/01/25/601360125.db2.gz WBLJDVBPXNMTMJ-UHFFFAOYSA-N -1 1 331.353 2.069 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000828714494 601498831 /nfs/dbraw/zinc/49/88/31/601498831.db2.gz AVBKHLJMODJELX-QEORTHHSSA-N -1 1 336.407 2.231 20 0 EEADMM CC(=O)N(c1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)cs1)C1CC1 ZINC000825823996 601601380 /nfs/dbraw/zinc/60/13/80/601601380.db2.gz YQIYOSVTKMNOEX-LBPRGKRZSA-N -1 1 325.434 2.247 20 0 EEADMM CCOC(=O)[C@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825486409 607521093 /nfs/dbraw/zinc/52/10/93/607521093.db2.gz QYUIHCBKUWEFMM-SNVBAGLBSA-N -1 1 326.360 2.026 20 0 EEADMM CCOC(=O)[C@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825486409 607521096 /nfs/dbraw/zinc/52/10/96/607521096.db2.gz QYUIHCBKUWEFMM-SNVBAGLBSA-N -1 1 326.360 2.026 20 0 EEADMM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCCS2)CCCN(Cc2ccccc2)C1 ZINC000833128217 601734783 /nfs/dbraw/zinc/73/47/83/601734783.db2.gz BHIXITBIWRDCPU-MAUKXSAKSA-N -1 1 348.468 2.118 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825986159 607523926 /nfs/dbraw/zinc/52/39/26/607523926.db2.gz RPXYMLNTZGJELH-UHFFFAOYSA-N -1 1 346.398 2.284 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000826496422 607528274 /nfs/dbraw/zinc/52/82/74/607528274.db2.gz WDQGDBYKVNKXNI-JOCHJYFZSA-N -1 1 337.767 2.362 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000826496422 607528275 /nfs/dbraw/zinc/52/82/75/607528275.db2.gz WDQGDBYKVNKXNI-JOCHJYFZSA-N -1 1 337.767 2.362 20 0 EEADMM COc1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832011273 601858161 /nfs/dbraw/zinc/85/81/61/601858161.db2.gz SQZZKONGDXTAGF-UHFFFAOYSA-N -1 1 343.307 2.472 20 0 EEADMM C[C@@H]1CCCCCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000828252853 601879539 /nfs/dbraw/zinc/87/95/39/601879539.db2.gz YZYYOOIYYHZWTH-CYBMUJFWSA-N -1 1 345.399 2.375 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826020777 601950391 /nfs/dbraw/zinc/95/03/91/601950391.db2.gz ITBFJSKWQIOOJX-HWPZZCPQSA-N -1 1 342.342 2.412 20 0 EEADMM O=C(OCc1nc(C2CCCC2)no1)c1sccc1-c1nn[n-]n1 ZINC000826467830 607706489 /nfs/dbraw/zinc/70/64/89/607706489.db2.gz NPRVKPSLSWOGOM-UHFFFAOYSA-N -1 1 346.372 2.326 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000832883137 604689815 /nfs/dbraw/zinc/68/98/15/604689815.db2.gz IIRCUXWFWAOLTB-NSHDSACASA-N -1 1 330.388 2.189 20 0 EEADMM CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@H]1CCN(c2ccccc2)C1=O ZINC000833654096 604832391 /nfs/dbraw/zinc/83/23/91/604832391.db2.gz ARWVCCLGLLRJRV-WBVHZDCISA-N -1 1 344.411 2.261 20 0 EEADMM CN(CC(=O)Nc1cc(Br)cc(Cl)c1O)C(=O)[O-] ZINC000833692161 604989530 /nfs/dbraw/zinc/98/95/30/604989530.db2.gz MTRLAFFBFVYVPZ-UHFFFAOYSA-N -1 1 337.557 2.356 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)C1 ZINC000833615806 605104776 /nfs/dbraw/zinc/10/47/76/605104776.db2.gz RTGYCBSYCAJOTB-ZDUSSCGKSA-N -1 1 333.432 2.183 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000833620112 605160726 /nfs/dbraw/zinc/16/07/26/605160726.db2.gz KFNAGOHSNVMZHR-AWEZNQCLSA-N -1 1 348.418 2.255 20 0 EEADMM C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)CCN1CCC(=O)[O-] ZINC000833618477 605276522 /nfs/dbraw/zinc/27/65/22/605276522.db2.gz OPDFNEOUUXLLQU-WXJAXGNASA-N -1 1 336.819 2.361 20 0 EEADMM COc1ccccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821903137 606139519 /nfs/dbraw/zinc/13/95/19/606139519.db2.gz BUMBPLQEPWSFSG-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COc1ccccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821903137 606139521 /nfs/dbraw/zinc/13/95/21/606139521.db2.gz BUMBPLQEPWSFSG-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM CCSc1cccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821460808 606171113 /nfs/dbraw/zinc/17/11/13/606171113.db2.gz DUJLILLOEJRPRS-UHFFFAOYSA-N -1 1 344.404 2.356 20 0 EEADMM CCSc1cccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821460808 606171115 /nfs/dbraw/zinc/17/11/15/606171115.db2.gz DUJLILLOEJRPRS-UHFFFAOYSA-N -1 1 344.404 2.356 20 0 EEADMM O=C(Nc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289759 606284862 /nfs/dbraw/zinc/28/48/62/606284862.db2.gz PAFJPVBAVOLPIQ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289759 606284863 /nfs/dbraw/zinc/28/48/63/606284863.db2.gz PAFJPVBAVOLPIQ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM COC(=O)NCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821664618 606420341 /nfs/dbraw/zinc/42/03/41/606420341.db2.gz BERGZKOYWIMJTB-UHFFFAOYSA-N -1 1 344.400 2.396 20 0 EEADMM CCC[C@H]1C[C@@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821034340 606459989 /nfs/dbraw/zinc/45/99/89/606459989.db2.gz KQNIKHIIYHSIMJ-RYUDHWBXSA-N -1 1 340.387 2.477 20 0 EEADMM CCC[C@H]1C[C@@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821034340 606459991 /nfs/dbraw/zinc/45/99/91/606459991.db2.gz KQNIKHIIYHSIMJ-RYUDHWBXSA-N -1 1 340.387 2.477 20 0 EEADMM CC(C)[C@H]1OCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820045606 606472197 /nfs/dbraw/zinc/47/21/97/606472197.db2.gz OFRUENOFXQZMCC-IONNQARKSA-N -1 1 328.829 2.450 20 0 EEADMM CC(C)[C@H]1OCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820045606 606472198 /nfs/dbraw/zinc/47/21/98/606472198.db2.gz OFRUENOFXQZMCC-IONNQARKSA-N -1 1 328.829 2.450 20 0 EEADMM C[C@H](Cc1ccncc1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820299820 606478888 /nfs/dbraw/zinc/47/88/88/606478888.db2.gz LANUSCIAEDUYGG-LLVKDONJSA-N -1 1 332.371 2.248 20 0 EEADMM C[C@H](Cc1ccncc1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820299820 606478890 /nfs/dbraw/zinc/47/88/90/606478890.db2.gz LANUSCIAEDUYGG-LLVKDONJSA-N -1 1 332.371 2.248 20 0 EEADMM CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000821625705 606567931 /nfs/dbraw/zinc/56/79/31/606567931.db2.gz UKAALGVZCOAHLO-UHFFFAOYSA-N -1 1 340.412 2.415 20 0 EEADMM CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821625705 606567932 /nfs/dbraw/zinc/56/79/32/606567932.db2.gz UKAALGVZCOAHLO-UHFFFAOYSA-N -1 1 340.412 2.415 20 0 EEADMM O=C(NC[C@@H]1OCCc2sccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823183175 606576547 /nfs/dbraw/zinc/57/65/47/606576547.db2.gz SJAABQLSTKYADW-VIFPVBQESA-N -1 1 347.425 2.034 20 0 EEADMM O=C(NC[C@@H]1OCCc2sccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823183175 606576550 /nfs/dbraw/zinc/57/65/50/606576550.db2.gz SJAABQLSTKYADW-VIFPVBQESA-N -1 1 347.425 2.034 20 0 EEADMM O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166767 606592104 /nfs/dbraw/zinc/59/21/04/606592104.db2.gz OSYIZAFECVQLQM-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166767 606592106 /nfs/dbraw/zinc/59/21/06/606592106.db2.gz OSYIZAFECVQLQM-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nc(Cl)ccc1Cl ZINC000823383588 607024562 /nfs/dbraw/zinc/02/45/62/607024562.db2.gz VLQKVDQWDMCFCE-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nc(Cl)ccc1Cl ZINC000823383588 607024563 /nfs/dbraw/zinc/02/45/63/607024563.db2.gz VLQKVDQWDMCFCE-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM Clc1nsc(N2CCOC3(CCCC3)C2)c1-c1nnn[n-]1 ZINC000822590655 607031837 /nfs/dbraw/zinc/03/18/37/607031837.db2.gz LPBPQWRSCMYOOQ-UHFFFAOYSA-N -1 1 326.813 2.126 20 0 EEADMM Clc1nsc(N2CCOC3(CCCC3)C2)c1-c1nn[n-]n1 ZINC000822590655 607031838 /nfs/dbraw/zinc/03/18/38/607031838.db2.gz LPBPQWRSCMYOOQ-UHFFFAOYSA-N -1 1 326.813 2.126 20 0 EEADMM Cc1cccc([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822288922 607127744 /nfs/dbraw/zinc/12/77/44/607127744.db2.gz NFUBIUHQUNLXJX-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1cccc([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822288922 607127746 /nfs/dbraw/zinc/12/77/46/607127746.db2.gz NFUBIUHQUNLXJX-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000820601616 607224780 /nfs/dbraw/zinc/22/47/80/607224780.db2.gz PAFQDFOKWCZHJP-UHFFFAOYSA-N -1 1 336.355 2.080 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000820601616 607224781 /nfs/dbraw/zinc/22/47/81/607224781.db2.gz PAFQDFOKWCZHJP-UHFFFAOYSA-N -1 1 336.355 2.080 20 0 EEADMM Clc1ccc(N2CC[C@@H](C3CCOCC3)C2)nc1-c1nnn[n-]1 ZINC000826351865 607851218 /nfs/dbraw/zinc/85/12/18/607851218.db2.gz DPYRMEGDRTXMDR-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CC[C@@H](C3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC000826351865 607851219 /nfs/dbraw/zinc/85/12/19/607851219.db2.gz DPYRMEGDRTXMDR-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM CCN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825371469 607864963 /nfs/dbraw/zinc/86/49/63/607864963.db2.gz HCGRSYOTDOXLCO-UHFFFAOYSA-N -1 1 341.346 2.438 20 0 EEADMM CCN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825371469 607864964 /nfs/dbraw/zinc/86/49/64/607864964.db2.gz HCGRSYOTDOXLCO-UHFFFAOYSA-N -1 1 341.346 2.438 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC=C(C)CC1 ZINC000824852009 607910731 /nfs/dbraw/zinc/91/07/31/607910731.db2.gz HLIPNYXGVYKQHS-UHFFFAOYSA-N -1 1 338.371 2.351 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC=C(C)CC1 ZINC000824852009 607910732 /nfs/dbraw/zinc/91/07/32/607910732.db2.gz HLIPNYXGVYKQHS-UHFFFAOYSA-N -1 1 338.371 2.351 20 0 EEADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1Cl ZINC000826177732 607997349 /nfs/dbraw/zinc/99/73/49/607997349.db2.gz SITSDHTTWJHJJX-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM c1cn(Cc2ccc(OCc3ccccn3)cc2)c(-c2nnn[n-]2)n1 ZINC000826522209 608013977 /nfs/dbraw/zinc/01/39/77/608013977.db2.gz QSPNWIYXTAFWBF-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2ccc(OCc3ccccn3)cc2)c(-c2nn[n-]n2)n1 ZINC000826522209 608013978 /nfs/dbraw/zinc/01/39/78/608013978.db2.gz QSPNWIYXTAFWBF-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM Cc1ccsc1[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000826316201 608189301 /nfs/dbraw/zinc/18/93/01/608189301.db2.gz HEGIPNMXBHXWCK-ZCFIWIBFSA-N -1 1 342.837 2.492 20 0 EEADMM Cc1ccsc1[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000826316201 608189302 /nfs/dbraw/zinc/18/93/02/608189302.db2.gz HEGIPNMXBHXWCK-ZCFIWIBFSA-N -1 1 342.837 2.492 20 0 EEADMM CC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1F ZINC000825120133 608429283 /nfs/dbraw/zinc/42/92/83/608429283.db2.gz HXZPPYJJQJJXDH-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1F ZINC000825120133 608429284 /nfs/dbraw/zinc/42/92/84/608429284.db2.gz HXZPPYJJQJJXDH-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM COCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C)o1 ZINC000826154586 609357090 /nfs/dbraw/zinc/35/70/90/609357090.db2.gz SJJJSUYRSUCGFV-JTQLQIEISA-N -1 1 347.400 2.337 20 0 EEADMM COCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C)o1 ZINC000826154586 609357093 /nfs/dbraw/zinc/35/70/93/609357093.db2.gz SJJJSUYRSUCGFV-JTQLQIEISA-N -1 1 347.400 2.337 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@@H](C)c3cccc(F)c3)C2)c1[O-] ZINC000969500556 675075246 /nfs/dbraw/zinc/07/52/46/675075246.db2.gz QYUCTTZWEOHTMW-PWSUYJOCSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H](C)c3ccccc3F)C2)c1[O-] ZINC000969500862 675075534 /nfs/dbraw/zinc/07/55/34/675075534.db2.gz YHXNAKNEXIMHAS-CMPLNLGQSA-N -1 1 346.406 2.374 20 0 EEADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1ccc(Br)cc1[O-] ZINC000891052396 675992236 /nfs/dbraw/zinc/99/22/36/675992236.db2.gz ILGVDXHXADFKIU-NWDGAFQWSA-N -1 1 326.190 2.310 20 0 EEADMM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000160635205 676375991 /nfs/dbraw/zinc/37/59/91/676375991.db2.gz AZBYGMQMDSRHTG-UHFFFAOYSA-N -1 1 337.217 2.307 20 0 EEADMM CC(=O)N(CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1 ZINC000891612554 676722642 /nfs/dbraw/zinc/72/26/42/676722642.db2.gz BSQWROXCNYIGTB-UHFFFAOYSA-N -1 1 340.383 2.053 20 0 EEADMM Cc1cccc2c1O[C@H](C(=O)Nc1nc3c(c(=O)[n-]1)CCCC3)C2 ZINC000891613410 676722836 /nfs/dbraw/zinc/72/28/36/676722836.db2.gz GJWQOCNCCRDEEB-AWEZNQCLSA-N -1 1 325.368 2.312 20 0 EEADMM C[C@H]1CCCc2ncc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)n21 ZINC000891616158 676723521 /nfs/dbraw/zinc/72/35/21/676723521.db2.gz ZAYNHBWNMBTBCW-JTQLQIEISA-N -1 1 327.388 2.407 20 0 EEADMM Cc1ccsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000947197172 676864941 /nfs/dbraw/zinc/86/49/41/676864941.db2.gz VRVBCPIRGDEOPN-VXGBXAGGSA-N -1 1 345.424 2.048 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC000971896264 677783692 /nfs/dbraw/zinc/78/36/92/677783692.db2.gz WWBFYKPAOWWDDL-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM COCc1nc(N2CCC[C@H]2c2cccc3c2OCCO3)cc(=O)[n-]1 ZINC000892297453 678650004 /nfs/dbraw/zinc/65/00/04/678650004.db2.gz OGVSSAVCOJIQBM-ZDUSSCGKSA-N -1 1 343.383 2.441 20 0 EEADMM Cc1nc(CN2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001023327554 679252886 /nfs/dbraw/zinc/25/28/86/679252886.db2.gz FENNJYSLANULSM-CQSZACIVSA-N -1 1 344.415 2.034 20 0 EEADMM COCc1nc(N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)cc(=O)[n-]1 ZINC000894105041 681225550 /nfs/dbraw/zinc/22/55/50/681225550.db2.gz DOUFTMVKUFYWHE-XHBSWPGZSA-N -1 1 347.419 2.134 20 0 EEADMM O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ncccc1O ZINC001028499296 681655776 /nfs/dbraw/zinc/65/57/76/681655776.db2.gz FUXAKVRPSXHEOP-ZDUSSCGKSA-N -1 1 347.365 2.317 20 0 EEADMM CC(C)CCC(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059116076 682267586 /nfs/dbraw/zinc/26/75/86/682267586.db2.gz YQPXPJBUGCYEQC-AWEZNQCLSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983321036 682269850 /nfs/dbraw/zinc/26/98/50/682269850.db2.gz RVAPNMHZZCYTGX-RRFJBIMHSA-N -1 1 345.443 2.048 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)no1 ZINC001025395539 682668127 /nfs/dbraw/zinc/66/81/27/682668127.db2.gz ABFKJZDSGGDRGT-ZIAGYGMSSA-N -1 1 344.415 2.114 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(Cc2nccs2)C1 ZINC001025397557 682672046 /nfs/dbraw/zinc/67/20/46/682672046.db2.gz PGGLZHWXSPDZED-QWHCGFSZSA-N -1 1 346.456 2.274 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)C2CC3(CC3)C2)C1)c1ncccc1[O-] ZINC000983586455 682904552 /nfs/dbraw/zinc/90/45/52/682904552.db2.gz VJQLDDBZWRKWQQ-UONOGXRCSA-N -1 1 343.427 2.135 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000984199501 684224701 /nfs/dbraw/zinc/22/47/01/684224701.db2.gz CWHYDHAAYBBVHO-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000974055342 684266127 /nfs/dbraw/zinc/26/61/27/684266127.db2.gz FMAWXGHOIVEHKP-TXEJJXNPSA-N -1 1 345.424 2.156 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984336950 684435404 /nfs/dbraw/zinc/43/54/04/684435404.db2.gz OQAIRSYDGKJVQJ-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)NC1(C2CCCCC2)CC1 ZINC000896265860 684922418 /nfs/dbraw/zinc/92/24/18/684922418.db2.gz QNNMMNAGRHOANN-UHFFFAOYSA-N -1 1 346.431 2.167 20 0 EEADMM CN(CCNC(=O)c1ccc2ccc(O)cc2c1[O-])CC(F)(F)F ZINC000896311559 684938628 /nfs/dbraw/zinc/93/86/28/684938628.db2.gz GYBKNNSMOSPRDV-UHFFFAOYSA-N -1 1 342.317 2.475 20 0 EEADMM Cc1nc(C)c(CN2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000974493395 684987835 /nfs/dbraw/zinc/98/78/35/684987835.db2.gz WPASMWZJZXARPR-OAHLLOKOSA-N -1 1 344.415 2.032 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC000975225793 686318516 /nfs/dbraw/zinc/31/85/16/686318516.db2.gz PHNYYUBRDAACQS-AWEZNQCLSA-N -1 1 339.395 2.069 20 0 EEADMM O=C(N[C@H]1C[C@@H](Nc2cnc3ccccc3n2)C1)c1ncccc1[O-] ZINC001059613881 687401954 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C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1CCCC1 ZINC000987670509 689937417 /nfs/dbraw/zinc/93/74/17/689937417.db2.gz FCRWRVCYQKGLMC-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CN(C[C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000988223638 690410473 /nfs/dbraw/zinc/41/04/73/690410473.db2.gz JROJBPYQKGEWQD-KUHUBIRLSA-N -1 1 343.427 2.064 20 0 EEADMM CC1=C(C)C[C@H](C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000937861342 691030801 /nfs/dbraw/zinc/03/08/01/691030801.db2.gz XFILNNVTPUGLTJ-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM CC1=CC[C@](C)(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000937867144 691043925 /nfs/dbraw/zinc/04/39/25/691043925.db2.gz URHNEJVYPQCSIK-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC000989607788 692080447 /nfs/dbraw/zinc/08/04/47/692080447.db2.gz DBWXIEKXIYPZNX-TUVASFSCSA-N -1 1 349.479 2.052 20 0 EEADMM Cc1csc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])c1 ZINC000977695027 692930100 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20 0 EEADMM O=C(c1ncccc1[O-])N1CCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC001018721498 1228338598 /nfs/dbraw/zinc/33/85/98/1228338598.db2.gz KRQASBPKVYPNGC-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM C[C@@H](C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1)C(C)(C)C ZINC001018962162 1228578545 /nfs/dbraw/zinc/57/85/45/1228578545.db2.gz IHGCJUWOLMYNHT-ZDUSSCGKSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001020205989 1229552716 /nfs/dbraw/zinc/55/27/16/1229552716.db2.gz FVUIZKMAINCQNU-IHRRRGAJSA-N -1 1 345.443 2.333 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2[C@H](C)c2cccc(C)c2)c1[O-] ZINC001038161306 1229671033 /nfs/dbraw/zinc/67/10/33/1229671033.db2.gz MQNOWKJVXCHFHC-HIFRSBDPSA-N -1 1 328.416 2.297 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1cscn1 ZINC001039555057 1230692361 /nfs/dbraw/zinc/69/23/61/1230692361.db2.gz CXSTWJWHRVYFLT-OKILXGFUSA-N -1 1 344.440 2.123 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C2CN(CC3CCC(C)(C)CC3)C2)c1[O-] ZINC001042620071 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O=C(NCc1cccc(N2CC=CC2)c1)c1cnc(C2CC2)[n-]c1=O ZINC000900790540 1234820558 /nfs/dbraw/zinc/82/05/58/1234820558.db2.gz UQEBRLIVXVZUKK-UHFFFAOYSA-N -1 1 336.395 2.366 20 0 EEADMM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)Oc1cccc(F)c1 ZINC000900856640 1234917013 /nfs/dbraw/zinc/91/70/13/1234917013.db2.gz ACRGWNCWTXTTAA-SNVBAGLBSA-N -1 1 331.347 2.396 20 0 EEADMM Cc1cc(C)n(CCOC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000801204042 1235214365 /nfs/dbraw/zinc/21/43/65/1235214365.db2.gz ZPPNSSLAJIRIML-UHFFFAOYSA-N -1 1 326.356 2.248 20 0 EEADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1ncccn1)c1ncccc1[O-] ZINC001067719545 1249431081 /nfs/dbraw/zinc/43/10/81/1249431081.db2.gz GUJOZSXMFZDBOS-GDBMZVCRSA-N -1 1 347.378 2.085 20 0 EEADMM CCOC(=O)CC[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901177608 1235324569 /nfs/dbraw/zinc/32/45/69/1235324569.db2.gz WQENKNNZAQUCDF-GFCCVEGCSA-N -1 1 347.415 2.255 20 0 EEADMM Cn1cc(CCCOC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cn1 ZINC000801325250 1235423100 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CC(=O)c1cnccc1[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903121424 1239792815 /nfs/dbraw/zinc/79/28/15/1239792815.db2.gz UCZVPWBBQUOURL-LLVKDONJSA-N -1 1 337.228 2.032 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cn(-c4ccc(Cl)cc4)nn3)C[C@@H]21 ZINC000903627795 1241256255 /nfs/dbraw/zinc/25/62/55/1241256255.db2.gz PWACNDWFTXLWQM-QLFBSQMISA-N -1 1 332.791 2.073 20 0 EEADMM Cc1ccnc(NC2CCC(N(C)C(=O)c3ncccc3[O-])CC2)n1 ZINC001067908701 1249943446 /nfs/dbraw/zinc/94/34/46/1249943446.db2.gz CADBJOOIQVGVAA-UHFFFAOYSA-N -1 1 341.415 2.381 20 0 EEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1)c1ncccc1[O-] ZINC001096990890 1243550262 /nfs/dbraw/zinc/55/02/62/1243550262.db2.gz YARNYSYVKOJZOZ-OAGGEKHMSA-N -1 1 341.386 2.462 20 0 EEADMM CC(C)C1(C(=O)N[C@@H](C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001050528098 1243786781 /nfs/dbraw/zinc/78/67/81/1243786781.db2.gz ALRUDOURFPFKJP-UONOGXRCSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)C1(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001050528095 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ZINC001609202891 1351889831 /nfs/dbraw/zinc/88/98/31/1351889831.db2.gz RIXAYMATMATQQT-SNVBAGLBSA-N -1 1 342.325 2.286 20 0 EEADMM CC[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCCO1 ZINC001609202891 1351889832 /nfs/dbraw/zinc/88/98/32/1351889832.db2.gz RIXAYMATMATQQT-SNVBAGLBSA-N -1 1 342.325 2.286 20 0 EEADMM CCCCOCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001328831362 1334530823 /nfs/dbraw/zinc/53/08/23/1334530823.db2.gz ZSNNAEVZYMGZOA-UHFFFAOYSA-N -1 1 337.388 2.459 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609332513 1351935578 /nfs/dbraw/zinc/93/55/78/1351935578.db2.gz VKCRQAXUFBZDMD-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609332513 1351935582 /nfs/dbraw/zinc/93/55/82/1351935582.db2.gz VKCRQAXUFBZDMD-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001609403884 1351962915 /nfs/dbraw/zinc/96/29/15/1351962915.db2.gz ZKVHXCGMPZVYFL-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001609403884 1351962918 /nfs/dbraw/zinc/96/29/18/1351962918.db2.gz ZKVHXCGMPZVYFL-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(N[C@H]2CCCOc3cc(F)ccc32)cc(-c2nnn[n-]2)n1 ZINC001609408686 1351964672 /nfs/dbraw/zinc/96/46/72/1351964672.db2.gz HTQZWZXGXZQEFE-AWEZNQCLSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cc(N[C@H]2CCCOc3cc(F)ccc32)cc(-c2nn[n-]n2)n1 ZINC001609408686 1351964674 /nfs/dbraw/zinc/96/46/74/1351964674.db2.gz HTQZWZXGXZQEFE-AWEZNQCLSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC001609427625 1351972679 /nfs/dbraw/zinc/97/26/79/1351972679.db2.gz VKGYMQKRCSNYPN-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC001609427625 1351972681 /nfs/dbraw/zinc/97/26/81/1351972681.db2.gz VKGYMQKRCSNYPN-NSHDSACASA-N -1 1 341.371 2.274 20 0 EEADMM Cc1ccc(NCc2ccc(N3CCCC3)nc2)nc1-c1nn[n-]n1 ZINC001609426562 1351971854 /nfs/dbraw/zinc/97/18/54/1351971854.db2.gz ZHZBWAVHDCYXEE-UHFFFAOYSA-N -1 1 336.403 2.177 20 0 EEADMM Cc1ccc(N2CCc3c(F)ccc(F)c3C2)nc1-c1nnn[n-]1 ZINC001609425589 1351972465 /nfs/dbraw/zinc/97/24/65/1351972465.db2.gz XZSCGEHNQUPERE-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ccc(N2CCc3c(F)ccc(F)c3C2)nc1-c1nn[n-]n1 ZINC001609425589 1351972467 /nfs/dbraw/zinc/97/24/67/1351972467.db2.gz XZSCGEHNQUPERE-UHFFFAOYSA-N -1 1 328.326 2.411 20 0 EEADMM Cc1ccc(-c2nnc(COc3cccnc3-c3nnn[n-]3)o2)cc1 ZINC001609414171 1351967477 /nfs/dbraw/zinc/96/74/77/1351967477.db2.gz UICNZZLTFHIOAF-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1ccc(-c2nnc(COc3cccnc3-c3nn[n-]n3)o2)cc1 ZINC001609414171 1351967484 /nfs/dbraw/zinc/96/74/84/1351967484.db2.gz UICNZZLTFHIOAF-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1cccc2c1OCC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609434725 1351975442 /nfs/dbraw/zinc/97/54/42/1351975442.db2.gz YNEVSJXTHKHCHL-LLVKDONJSA-N -1 1 328.401 2.245 20 0 EEADMM Cc1cccc2c1OCC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609434725 1351975444 /nfs/dbraw/zinc/97/54/44/1351975444.db2.gz YNEVSJXTHKHCHL-LLVKDONJSA-N -1 1 328.401 2.245 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nnc(CC(C)C)s1 ZINC001609468145 1351988674 /nfs/dbraw/zinc/98/86/74/1351988674.db2.gz HUNQTRUCIDIYNY-UHFFFAOYSA-N -1 1 333.377 2.070 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nnc(CC(C)C)s1 ZINC001609468145 1351988676 /nfs/dbraw/zinc/98/86/76/1351988676.db2.gz HUNQTRUCIDIYNY-UHFFFAOYSA-N -1 1 333.377 2.070 20 0 EEADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001609541823 1352010887 /nfs/dbraw/zinc/01/08/87/1352010887.db2.gz SENNNRPFEIKIRM-LLVKDONJSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001609541823 1352010889 /nfs/dbraw/zinc/01/08/89/1352010889.db2.gz SENNNRPFEIKIRM-LLVKDONJSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545420 1352011616 /nfs/dbraw/zinc/01/16/16/1352011616.db2.gz BPOLHKQRXVUSSW-NWDGAFQWSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545420 1352011621 /nfs/dbraw/zinc/01/16/21/1352011621.db2.gz BPOLHKQRXVUSSW-NWDGAFQWSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(OCCCOc1ccc(F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574743 1352021205 /nfs/dbraw/zinc/02/12/05/1352021205.db2.gz QQDAHLQUALJEQI-UHFFFAOYSA-N -1 1 343.318 2.027 20 0 EEADMM O=C(OCCCOc1ccc(F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574743 1352021210 /nfs/dbraw/zinc/02/12/10/1352021210.db2.gz QQDAHLQUALJEQI-UHFFFAOYSA-N -1 1 343.318 2.027 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2sccc2C1 ZINC001609582918 1352026474 /nfs/dbraw/zinc/02/64/74/1352026474.db2.gz KTXZKVRRQHQCPW-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2sccc2C1 ZINC001609582918 1352026476 /nfs/dbraw/zinc/02/64/76/1352026476.db2.gz KTXZKVRRQHQCPW-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C1CCN1c1cccc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001609588981 1352028549 /nfs/dbraw/zinc/02/85/49/1352028549.db2.gz WUINFMWEDMJDHQ-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1CCN1c1cccc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001609588981 1352028555 /nfs/dbraw/zinc/02/85/55/1352028555.db2.gz WUINFMWEDMJDHQ-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)CNC2(C(=O)[O-])CCCCCC2)c1 ZINC001609625594 1352044105 /nfs/dbraw/zinc/04/41/05/1352044105.db2.gz ODFCTNDYFQBNOL-UHFFFAOYSA-N -1 1 347.415 2.351 20 0 EEADMM CC(C)[C@H](NC(=O)CNC(C)(C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001609716223 1352066727 /nfs/dbraw/zinc/06/67/27/1352066727.db2.gz ALLNCLZIZWIRQN-AWEZNQCLSA-N -1 1 326.824 2.390 20 0 EEADMM CC(C)c1nc(NC(=O)[C@@H](N)Cc2ccccc2)sc1C(=O)[O-] ZINC001609721853 1352068778 /nfs/dbraw/zinc/06/87/78/1352068778.db2.gz QIEFHBCTVGABKQ-NSHDSACASA-N -1 1 333.413 2.473 20 0 EEADMM C[C@](CNC(=O)[C@H](N)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001609744658 1352074696 /nfs/dbraw/zinc/07/46/96/1352074696.db2.gz YUSWDIMXBGUYSO-CRAIPNDOSA-N -1 1 346.814 2.499 20 0 EEADMM C[C@H](NCC(=O)N1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001609780604 1352083636 /nfs/dbraw/zinc/08/36/36/1352083636.db2.gz UALKFCKLPZGVCX-AWEZNQCLSA-N -1 1 334.416 2.203 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001609908413 1352117040 /nfs/dbraw/zinc/11/70/40/1352117040.db2.gz QRBQPMHWZVOZPX-MNOVXSKESA-N -1 1 340.449 2.028 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)CCCCCC(=O)[O-] ZINC001610118798 1352166502 /nfs/dbraw/zinc/16/65/02/1352166502.db2.gz XDFALESSZJAIRQ-UHFFFAOYSA-N -1 1 345.465 2.114 20 0 EEADMM O=C(c1csc(-c2ccccc2F)n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352596515 1337993256 /nfs/dbraw/zinc/99/32/56/1337993256.db2.gz QAFSWJDEWKULOJ-VIFPVBQESA-N -1 1 344.375 2.092 20 0 EEADMM COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001610160042 1352176098 /nfs/dbraw/zinc/17/60/98/1352176098.db2.gz WYFBNPBXRWOXFX-FZMZJTMJSA-N -1 1 349.280 2.379 20 0 EEADMM CO[C@H](C)c1noc(CN[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001610226824 1352190314 /nfs/dbraw/zinc/19/03/14/1352190314.db2.gz WNXLWDNMQHAWAF-BZPMIXESSA-N -1 1 333.388 2.199 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@@H](NCC(=O)N(C)[C@H](C)CC(C)C)C(=O)[O-])C1 ZINC001610234475 1352191686 /nfs/dbraw/zinc/19/16/86/1352191686.db2.gz KDDVXRKEAHUFOQ-JYYAWHABSA-N -1 1 342.480 2.127 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001610337980 1352207789 /nfs/dbraw/zinc/20/77/89/1352207789.db2.gz QZWAHNPUOHBMCW-JFGNBEQYSA-N -1 1 340.807 2.471 20 0 EEADMM COc1ccc([C@H](C)CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001610319751 1352204871 /nfs/dbraw/zinc/20/48/71/1352204871.db2.gz ZMGINMHXHNUVEU-CABCVRRESA-N -1 1 348.443 2.196 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001610385007 1352214216 /nfs/dbraw/zinc/21/42/16/1352214216.db2.gz UEQZDEGJYFOLIV-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM C[C@H]1C[C@@H](O)CN(Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC001610396404 1352215952 /nfs/dbraw/zinc/21/59/52/1352215952.db2.gz CBDGGFFHNMVAIX-JOYOIKCWSA-N -1 1 328.206 2.350 20 0 EEADMM Cc1[nH]c(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001610402312 1352217129 /nfs/dbraw/zinc/21/71/29/1352217129.db2.gz QETLTOIILKGGFU-AVGNSLFASA-N -1 1 348.399 2.230 20 0 EEADMM CC[C@@H](CC(=O)NC[C@H](NC(=O)c1cnn[nH]1)C(C)(C)C)C(C)C ZINC001428377195 1339487217 /nfs/dbraw/zinc/48/72/17/1339487217.db2.gz GDGSJRDSQOMGBV-JSGCOSHPSA-N -1 1 337.468 2.138 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)c2ccccc21 ZINC001610745586 1352267624 /nfs/dbraw/zinc/26/76/24/1352267624.db2.gz JTTIGGWKLLAOSY-AWEZNQCLSA-N -1 1 334.335 2.300 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3cn[nH]c31)CC2 ZINC001610843025 1352283908 /nfs/dbraw/zinc/28/39/08/1352283908.db2.gz RYUPVINWZIPAEH-HNNXBMFYSA-N -1 1 340.383 2.253 20 0 EEADMM COCc1nocc1C(=O)[N-]c1n[nH]c(-c2c(F)cccc2F)n1 ZINC001610913198 1352291989 /nfs/dbraw/zinc/29/19/89/1352291989.db2.gz FYYPFQXGIPDJET-UHFFFAOYSA-N -1 1 335.270 2.137 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cn(-c2ccc(Br)cc2)cn1 ZINC001558988557 1342494307 /nfs/dbraw/zinc/49/43/07/1342494307.db2.gz VUBOUMYVAYKARK-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM CC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC(F)(F)C1 ZINC001575780169 1343881403 /nfs/dbraw/zinc/88/14/03/1343881403.db2.gz RHFYUXMTJYHGHL-UHFFFAOYSA-N -1 1 342.375 2.163 20 0 EEADMM CCCC(=O)N[C@H](C)C[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577202972 1344103245 /nfs/dbraw/zinc/10/32/45/1344103245.db2.gz MIAASOPCSGWDFS-BDAKNGLRSA-N -1 1 337.453 2.127 20 0 EEADMM CCCC(=O)N[C@H]1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577207050 1344106275 /nfs/dbraw/zinc/10/62/75/1344106275.db2.gz SUOBEBNBQABQDL-MNOVXSKESA-N -1 1 349.464 2.129 20 0 EEADMM CO[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001579594417 1344398123 /nfs/dbraw/zinc/39/81/23/1344398123.db2.gz LBKBNNDEQXRQSJ-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001579594417 1344398125 /nfs/dbraw/zinc/39/81/25/1344398125.db2.gz LBKBNNDEQXRQSJ-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CSc1ccccc1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580236729 1344496545 /nfs/dbraw/zinc/49/65/45/1344496545.db2.gz VZRFVLOZPDPFRJ-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM CSc1ccccc1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580236729 1344496553 /nfs/dbraw/zinc/49/65/53/1344496553.db2.gz VZRFVLOZPDPFRJ-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM Cc1ccn(CC(F)(F)c2ccc(F)cc2)c(=O)c1-c1nn[n-]n1 ZINC001581272170 1344610092 /nfs/dbraw/zinc/61/00/92/1344610092.db2.gz GEFSFMYTOWUXCD-UHFFFAOYSA-N -1 1 335.289 2.268 20 0 EEADMM O=C(CCCc1ccc(Cl)cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582046910 1344695348 /nfs/dbraw/zinc/69/53/48/1344695348.db2.gz GDVUGNCNHDJPFH-UHFFFAOYSA-N -1 1 331.767 2.205 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582300485 1344726601 /nfs/dbraw/zinc/72/66/01/1344726601.db2.gz BCZQFRXXLLRANJ-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582300485 1344726606 /nfs/dbraw/zinc/72/66/06/1344726606.db2.gz BCZQFRXXLLRANJ-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1csc(-c2nn[n-]n2)c1 ZINC001582526877 1344758314 /nfs/dbraw/zinc/75/83/14/1344758314.db2.gz BAONJHKKYIKQSM-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1sccc1C(F)F ZINC001582560302 1344763626 /nfs/dbraw/zinc/76/36/26/1344763626.db2.gz BIHUFVRPNAQIHE-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1sccc1C(F)F ZINC001582560302 1344763630 /nfs/dbraw/zinc/76/36/30/1344763630.db2.gz BIHUFVRPNAQIHE-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1cc(Cl)ccn1 ZINC001582806887 1344794677 /nfs/dbraw/zinc/79/46/77/1344794677.db2.gz WYZBROHZWWORQX-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM CC(C)C(=O)c1c[nH]ccc1=NC(=O)c1cnc2ccccc2c1[O-] ZINC001585536793 1348806512 /nfs/dbraw/zinc/80/65/12/1348806512.db2.gz CTSDEHKCPAGLAI-UHFFFAOYSA-N -1 1 335.363 2.436 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1C ZINC001588873396 1348940386 /nfs/dbraw/zinc/94/03/86/1348940386.db2.gz QXKDXIFWYPVUJK-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1C ZINC001588873396 1348940389 /nfs/dbraw/zinc/94/03/89/1348940389.db2.gz QXKDXIFWYPVUJK-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001589052522 1348954739 /nfs/dbraw/zinc/95/47/39/1348954739.db2.gz ANJSJNSDJZCGDX-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001589052522 1348954741 /nfs/dbraw/zinc/95/47/41/1348954741.db2.gz ANJSJNSDJZCGDX-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C)OC(=O)c1cnn(Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001589190380 1348968074 /nfs/dbraw/zinc/96/80/74/1348968074.db2.gz CGVWYFBLZCHAGG-UHFFFAOYSA-N -1 1 332.389 2.128 20 0 EEADMM CC(C)[C@@]1(CO)CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001589494961 1348996554 /nfs/dbraw/zinc/99/65/54/1348996554.db2.gz RVWUZERQRZXJBZ-ZDUSSCGKSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001589607852 1349009544 /nfs/dbraw/zinc/00/95/44/1349009544.db2.gz YINXYPFGRSMJQN-JOCQHMNTSA-N -1 1 331.424 2.443 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001589607852 1349009548 /nfs/dbraw/zinc/00/95/48/1349009548.db2.gz YINXYPFGRSMJQN-JOCQHMNTSA-N -1 1 331.424 2.443 20 0 EEADMM CC(C)OC1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001589740073 1349027695 /nfs/dbraw/zinc/02/76/95/1349027695.db2.gz WEBWLYSQKQZTGQ-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)OC1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001589740073 1349027700 /nfs/dbraw/zinc/02/77/00/1349027700.db2.gz WEBWLYSQKQZTGQ-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM C[C@@H]1C[C@@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CCO1 ZINC001590191116 1349193366 /nfs/dbraw/zinc/19/33/66/1349193366.db2.gz DVKGSRBIHDIFCU-ZJUUUORDSA-N -1 1 331.401 2.058 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590226603 1349213130 /nfs/dbraw/zinc/21/31/30/1349213130.db2.gz QUQLDPVJZJCCJY-MRVWCRGKSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590226603 1349213133 /nfs/dbraw/zinc/21/31/33/1349213133.db2.gz QUQLDPVJZJCCJY-MRVWCRGKSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCC1(F)F ZINC001590293907 1349249555 /nfs/dbraw/zinc/24/95/55/1349249555.db2.gz OSAPIMGCYGCVNT-SECBINFHSA-N -1 1 346.341 2.465 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC001590300941 1349251651 /nfs/dbraw/zinc/25/16/51/1349251651.db2.gz LZFQQJMEDUYHQK-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@H]1CSCCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590326246 1349267042 /nfs/dbraw/zinc/26/70/42/1349267042.db2.gz GZXQAAIWVWFXLR-SNVBAGLBSA-N -1 1 342.428 2.173 20 0 EEADMM CCC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H](O)c1ccccc1 ZINC001590559147 1349371338 /nfs/dbraw/zinc/37/13/38/1349371338.db2.gz KZXRSFRCWBXELQ-BBRMVZONSA-N -1 1 339.403 2.279 20 0 EEADMM CCC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H](O)c1ccccc1 ZINC001590559147 1349371343 /nfs/dbraw/zinc/37/13/43/1349371343.db2.gz KZXRSFRCWBXELQ-BBRMVZONSA-N -1 1 339.403 2.279 20 0 EEADMM CCc1nc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)cs1 ZINC001590913852 1349409610 /nfs/dbraw/zinc/40/96/10/1349409610.db2.gz JSCNMDLTQJLIKA-UHFFFAOYSA-N -1 1 338.400 2.192 20 0 EEADMM CN1CCCN(Cc2cccc(-c3nnn[n-]3)n2)c2cc(F)ccc21 ZINC001591188889 1349448795 /nfs/dbraw/zinc/44/87/95/1349448795.db2.gz SJVQEVDQVHPUCZ-UHFFFAOYSA-N -1 1 339.378 2.247 20 0 EEADMM CN1CCCN(Cc2cccc(-c3nn[n-]n3)n2)c2cc(F)ccc21 ZINC001591188889 1349448797 /nfs/dbraw/zinc/44/87/97/1349448797.db2.gz SJVQEVDQVHPUCZ-UHFFFAOYSA-N -1 1 339.378 2.247 20 0 EEADMM COc1cccc2c1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001591643695 1349523120 /nfs/dbraw/zinc/52/31/20/1349523120.db2.gz QZKAZLUALZWHBN-UHFFFAOYSA-N -1 1 328.763 2.444 20 0 EEADMM COc1cccc2c1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001591643695 1349523124 /nfs/dbraw/zinc/52/31/24/1349523124.db2.gz QZKAZLUALZWHBN-UHFFFAOYSA-N -1 1 328.763 2.444 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC001591730227 1349536307 /nfs/dbraw/zinc/53/63/07/1349536307.db2.gz XJBTVUGHGFHVBZ-MRVPVSSYSA-N -1 1 346.192 2.014 20 0 EEADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001591862598 1349549887 /nfs/dbraw/zinc/54/98/87/1349549887.db2.gz HADKYVVIKJAVGD-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591989186 1349577879 /nfs/dbraw/zinc/57/78/79/1349577879.db2.gz NYZMMWGXAUNPCF-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591989186 1349577884 /nfs/dbraw/zinc/57/78/84/1349577884.db2.gz NYZMMWGXAUNPCF-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1nsc(NC(=O)COc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC001592228039 1349612426 /nfs/dbraw/zinc/61/24/26/1349612426.db2.gz OJSXDFHVXRQTPS-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1nsc(NC(=O)COc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC001592228039 1349612428 /nfs/dbraw/zinc/61/24/28/1349612428.db2.gz OJSXDFHVXRQTPS-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592314219 1349619796 /nfs/dbraw/zinc/61/97/96/1349619796.db2.gz IKHFNERSTVSMQB-UHFFFAOYSA-N -1 1 344.404 2.083 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592314219 1349619804 /nfs/dbraw/zinc/61/98/04/1349619804.db2.gz IKHFNERSTVSMQB-UHFFFAOYSA-N -1 1 344.404 2.083 20 0 EEADMM Cc1nc(NCCc2nc(C(C)(C)C)cs2)cc(-c2nnn[n-]2)n1 ZINC001592393463 1349626974 /nfs/dbraw/zinc/62/69/74/1349626974.db2.gz RCEXFUJZMGGTQX-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1nc(NCCc2nc(C(C)(C)C)cs2)cc(-c2nn[n-]n2)n1 ZINC001592393463 1349626975 /nfs/dbraw/zinc/62/69/75/1349626975.db2.gz RCEXFUJZMGGTQX-UHFFFAOYSA-N -1 1 344.448 2.374 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592426643 1349629025 /nfs/dbraw/zinc/62/90/25/1349629025.db2.gz XNLNPYZXYBLDNM-GWCFXTLKSA-N -1 1 338.371 2.060 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3ccccc32)c1-c1nnn[n-]1 ZINC001592432541 1349631981 /nfs/dbraw/zinc/63/19/81/1349631981.db2.gz BKCMDXVEZRLZHX-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3ccccc32)c1-c1nn[n-]n1 ZINC001592432541 1349631982 /nfs/dbraw/zinc/63/19/82/1349631982.db2.gz BKCMDXVEZRLZHX-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM Cc1nsc(NC(=O)C(C)(C)C2CCOCC2)c1-c1nnn[n-]1 ZINC001592478736 1349635252 /nfs/dbraw/zinc/63/52/52/1349635252.db2.gz GLAKPAUCKFLLOC-UHFFFAOYSA-N -1 1 336.421 2.023 20 0 EEADMM Cc1nsc(NC(=O)C(C)(C)C2CCOCC2)c1-c1nn[n-]n1 ZINC001592478736 1349635255 /nfs/dbraw/zinc/63/52/55/1349635255.db2.gz GLAKPAUCKFLLOC-UHFFFAOYSA-N -1 1 336.421 2.023 20 0 EEADMM Cc1nsc(N2CCc3cc(F)cc(F)c3C2)c1-c1nn[n-]n1 ZINC001592476359 1349635991 /nfs/dbraw/zinc/63/59/91/1349635991.db2.gz ZQJBHCKMCMSIHW-UHFFFAOYSA-N -1 1 334.355 2.473 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001592498767 1349637177 /nfs/dbraw/zinc/63/71/77/1349637177.db2.gz BCFDBRPZGMVLQY-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001592498767 1349637178 /nfs/dbraw/zinc/63/71/78/1349637178.db2.gz BCFDBRPZGMVLQY-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H](C)CC(C)(C)C)c1-c1nnn[n-]1 ZINC001592516735 1349644481 /nfs/dbraw/zinc/64/44/81/1349644481.db2.gz DPQIYYCVXZENOT-JTQLQIEISA-N -1 1 334.424 2.284 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H](C)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001592516735 1349644482 /nfs/dbraw/zinc/64/44/82/1349644482.db2.gz DPQIYYCVXZENOT-JTQLQIEISA-N -1 1 334.424 2.284 20 0 EEADMM Cn1cc(NCc2cccc(-c3nnn[n-]3)n2)c(-c2ccccc2)n1 ZINC001592575199 1349660907 /nfs/dbraw/zinc/66/09/07/1349660907.db2.gz YKATZXNCXJEEQS-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM Cn1cc(NCc2cccc(-c3nn[n-]n3)n2)c(-c2ccccc2)n1 ZINC001592575199 1349660909 /nfs/dbraw/zinc/66/09/09/1349660909.db2.gz YKATZXNCXJEEQS-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592593151 1349664874 /nfs/dbraw/zinc/66/48/74/1349664874.db2.gz BWYLYKLCXVXVMR-UHFFFAOYSA-N -1 1 343.366 2.289 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592593151 1349664878 /nfs/dbraw/zinc/66/48/78/1349664878.db2.gz BWYLYKLCXVXVMR-UHFFFAOYSA-N -1 1 343.366 2.289 20 0 EEADMM FC(F)(F)OCCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592616671 1349673508 /nfs/dbraw/zinc/67/35/08/1349673508.db2.gz WEAXDZPGQFTRCL-UHFFFAOYSA-N -1 1 339.281 2.052 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001592648214 1349692230 /nfs/dbraw/zinc/69/22/30/1349692230.db2.gz DCPDASLIUUZSCO-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001592647504 1349692479 /nfs/dbraw/zinc/69/24/79/1349692479.db2.gz RURGJYXWEPIZJA-JSGCOSHPSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001592647504 1349692484 /nfs/dbraw/zinc/69/24/84/1349692484.db2.gz RURGJYXWEPIZJA-JSGCOSHPSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(-c2nc(COc3cnc(-c4nn[n-]n4)nc3)co2)c1 ZINC001592655780 1349700230 /nfs/dbraw/zinc/70/02/30/1349700230.db2.gz YCSAEYIBCYSZCZ-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1coc(-c2nnn[n-]2)c1 ZINC001592955339 1349729083 /nfs/dbraw/zinc/72/90/83/1349729083.db2.gz NYHKUYMSWZQESC-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1coc(-c2nn[n-]n2)c1 ZINC001592955339 1349729084 /nfs/dbraw/zinc/72/90/84/1349729084.db2.gz NYHKUYMSWZQESC-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593180931 1349744264 /nfs/dbraw/zinc/74/42/64/1349744264.db2.gz XLMCXKNYXKMXMA-ZYHUDNBSSA-N -1 1 334.339 2.227 20 0 EEADMM O=C(OCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593293854 1349769772 /nfs/dbraw/zinc/76/97/72/1349769772.db2.gz YTVMSXRNGGISKT-UHFFFAOYSA-N -1 1 329.747 2.315 20 0 EEADMM O=C(OCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593293854 1349769775 /nfs/dbraw/zinc/76/97/75/1349769775.db2.gz YTVMSXRNGGISKT-UHFFFAOYSA-N -1 1 329.747 2.315 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1ccc2c(n1)CCCN2 ZINC001593299610 1349772967 /nfs/dbraw/zinc/77/29/67/1349772967.db2.gz XMLGBABZRVTEJR-UHFFFAOYSA-N -1 1 342.384 2.038 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC[C@H]1C(F)(F)F ZINC001593327983 1349780905 /nfs/dbraw/zinc/78/09/05/1349780905.db2.gz XLRFVANTDAOODN-VIFPVBQESA-N -1 1 347.247 2.312 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC[C@H]1C(F)(F)F ZINC001593327983 1349780909 /nfs/dbraw/zinc/78/09/09/1349780909.db2.gz XLRFVANTDAOODN-VIFPVBQESA-N -1 1 347.247 2.312 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCc2ccccc2C1 ZINC001593335468 1349782244 /nfs/dbraw/zinc/78/22/44/1349782244.db2.gz PBZMGCVGCSZHIM-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1cccs1 ZINC001593359054 1349791034 /nfs/dbraw/zinc/79/10/34/1349791034.db2.gz VBFAPMZKFAWNQQ-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1cccs1 ZINC001593359054 1349791035 /nfs/dbraw/zinc/79/10/35/1349791035.db2.gz VBFAPMZKFAWNQQ-LBPRGKRZSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1csc(-c2nnn[n-]2)c1 ZINC001593396776 1349796501 /nfs/dbraw/zinc/79/65/01/1349796501.db2.gz CBRYJTUAWHNTMM-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1csc(-c2nn[n-]n2)c1 ZINC001593396776 1349796505 /nfs/dbraw/zinc/79/65/05/1349796505.db2.gz CBRYJTUAWHNTMM-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C1O[C@H](CSCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001593413311 1349798085 /nfs/dbraw/zinc/79/80/85/1349798085.db2.gz RKWYLDLYDXBRQZ-QMMMGPOBSA-N -1 1 337.430 2.042 20 0 EEADMM O=C1O[C@H](CSCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001593413311 1349798087 /nfs/dbraw/zinc/79/80/87/1349798087.db2.gz RKWYLDLYDXBRQZ-QMMMGPOBSA-N -1 1 337.430 2.042 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cccc3ncccc13)CCC2 ZINC001593490877 1349816923 /nfs/dbraw/zinc/81/69/23/1349816923.db2.gz QBJOFBBWCCQGIB-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593495007 1349819933 /nfs/dbraw/zinc/81/99/33/1349819933.db2.gz VSFVSQKYXIBXSG-AXFHLTTASA-N -1 1 325.397 2.455 20 0 EEADMM c1c(N[C@@H](C2CC2)C2CCOCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543319 1349838010 /nfs/dbraw/zinc/83/80/10/1349838010.db2.gz KBTHVXMRUTVANH-HNNXBMFYSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@@H](C2CC2)C2CCOCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543319 1349838014 /nfs/dbraw/zinc/83/80/14/1349838014.db2.gz KBTHVXMRUTVANH-HNNXBMFYSA-N -1 1 341.419 2.151 20 0 EEADMM c1sc(CNCc2cc(-c3ccccc3)on2)nc1-c1nnn[n-]1 ZINC001593568127 1349854020 /nfs/dbraw/zinc/85/40/20/1349854020.db2.gz AJDRYRUPNOLYHE-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM c1sc(CNCc2cc(-c3ccccc3)on2)nc1-c1nn[n-]n1 ZINC001593568127 1349854021 /nfs/dbraw/zinc/85/40/21/1349854021.db2.gz AJDRYRUPNOLYHE-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001593579865 1349860700 /nfs/dbraw/zinc/86/07/00/1349860700.db2.gz FAGUBFKSBVAXMC-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001593579865 1349860705 /nfs/dbraw/zinc/86/07/05/1349860705.db2.gz FAGUBFKSBVAXMC-ZDUSSCGKSA-N -1 1 325.401 2.099 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)CCN1CCC(=O)[O-] ZINC001594488271 1349876050 /nfs/dbraw/zinc/87/60/50/1349876050.db2.gz BXYNHWBRDGHNIM-LBPRGKRZSA-N -1 1 345.443 2.391 20 0 EEADMM COc1cccc(C[C@H](N)C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001599668651 1349948188 /nfs/dbraw/zinc/94/81/88/1349948188.db2.gz ISXDZIXWHHTLIF-INIZCTEOSA-N -1 1 348.443 2.249 20 0 EEADMM Cc1c(Cl)nccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600037157 1349959255 /nfs/dbraw/zinc/95/92/55/1349959255.db2.gz PMIIXMGCAARWLP-JTQLQIEISA-N -1 1 340.811 2.056 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)c1 ZINC001600186465 1349988118 /nfs/dbraw/zinc/98/81/18/1349988118.db2.gz VXVAHIZGWPODRL-UHFFFAOYSA-N -1 1 329.308 2.478 20 0 EEADMM Cc1cc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)nc(C)c1C(=O)[O-] ZINC001600251665 1350002286 /nfs/dbraw/zinc/00/22/86/1350002286.db2.gz FQQBOCRTAZGSGJ-PRHODGIISA-N -1 1 328.372 2.424 20 0 EEADMM Cc1ccc(C(C)C)c(OCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001600367083 1350030931 /nfs/dbraw/zinc/03/09/31/1350030931.db2.gz IEJVJJUWJINNHN-OAHLLOKOSA-N -1 1 345.399 2.032 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@@H]2CCN2C2CCCC2)C(=O)[O-])cc1 ZINC001600378905 1350034670 /nfs/dbraw/zinc/03/46/70/1350034670.db2.gz NYORGXMRIPSGJQ-SJORKVTESA-N -1 1 330.428 2.296 20 0 EEADMM Cc1ccc(OCCCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001600470092 1350059939 /nfs/dbraw/zinc/05/99/39/1350059939.db2.gz JNAJUULRTKNIDQ-INIZCTEOSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1ccc2c(c1)CCN([C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC001600496336 1350065476 /nfs/dbraw/zinc/06/54/76/1350065476.db2.gz JBKCCQUQUQRRQS-AWEZNQCLSA-N -1 1 330.428 2.065 20 0 EEADMM Cc1ccc2nc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)ccc2c1 ZINC001600502088 1350067695 /nfs/dbraw/zinc/06/76/95/1350067695.db2.gz XAQMCNGHPSTRST-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H](C)/C=C\C(=O)[O-])c1 ZINC001600532947 1350075597 /nfs/dbraw/zinc/07/55/97/1350075597.db2.gz FOWCJJHGHPVPGK-WKPOEDDGSA-N -1 1 330.428 2.495 20 0 EEADMM Cc1cccn2c(=O)cc(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])nc12 ZINC001600588647 1350091479 /nfs/dbraw/zinc/09/14/79/1350091479.db2.gz KSRWDSLXJUGYGX-QGZVFWFLSA-N -1 1 349.390 2.014 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1C(=O)[O-] ZINC001600747799 1350127110 /nfs/dbraw/zinc/12/71/10/1350127110.db2.gz XXGJTHOCTXWFRE-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1nonc1CN[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001600818420 1350143738 /nfs/dbraw/zinc/14/37/38/1350143738.db2.gz GDGITMZGRWJZKM-LLVKDONJSA-N -1 1 345.277 2.062 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@@H](O)COCC(C)C)nc1C(=O)[O-] ZINC001600881486 1350159352 /nfs/dbraw/zinc/15/93/52/1350159352.db2.gz FCCDIUGFUDNODX-OLZOCXBDSA-N -1 1 342.461 2.320 20 0 EEADMM Cn1c(CN2CCCN3c4ccccc4C[C@H]3C2)ccc1C(=O)[O-] ZINC001600913992 1350166371 /nfs/dbraw/zinc/16/63/71/1350166371.db2.gz BBAQYHXBYPIMIR-INIZCTEOSA-N -1 1 325.412 2.360 20 0 EEADMM Cn1nc2c(c1CNCc1ccccc1CC(=O)[O-])CSCC2 ZINC001601019223 1350192029 /nfs/dbraw/zinc/19/20/29/1350192029.db2.gz VILMGTDZDRZKSU-UHFFFAOYSA-N -1 1 331.441 2.126 20 0 EEADMM O=C([O-])c1cccc(CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC001601364769 1350267315 /nfs/dbraw/zinc/26/73/15/1350267315.db2.gz LNKXHESAFRHMDS-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cn[nH]c1-c1ccccn1)CC1CCCC1 ZINC001601459731 1350288869 /nfs/dbraw/zinc/28/88/69/1350288869.db2.gz SJODBZNQHCAZDN-ZDUSSCGKSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2c1CCCCC2 ZINC001601564988 1350308193 /nfs/dbraw/zinc/30/81/93/1350308193.db2.gz LXYKTGZXDFVCEF-INIZCTEOSA-N -1 1 327.384 2.104 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cc(C(F)(F)F)[nH]n3)[nH]c21 ZINC001601632966 1350324203 /nfs/dbraw/zinc/32/42/03/1350324203.db2.gz PTLVNOIFVHONFM-UHFFFAOYSA-N -1 1 339.233 2.255 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)c2ccccc21 ZINC001601844911 1350378903 /nfs/dbraw/zinc/37/89/03/1350378903.db2.gz FAYOCNMPDDIJMI-OAHLLOKOSA-N -1 1 348.362 2.224 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1c2[nH]cnc2ccc1F ZINC001601868242 1350385591 /nfs/dbraw/zinc/38/55/91/1350385591.db2.gz WKNBYZFEMWIUGK-AWEZNQCLSA-N -1 1 339.326 2.354 20 0 EEADMM O=C([O-])CN(CCC(F)(F)F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001602053909 1350428546 /nfs/dbraw/zinc/42/85/46/1350428546.db2.gz USVHUHCHNRVCCG-LBPRGKRZSA-N -1 1 346.305 2.351 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1 ZINC001602173147 1350457389 /nfs/dbraw/zinc/45/73/89/1350457389.db2.gz NTJNUSOSQPBKQW-YESZJQIVSA-N -1 1 348.418 2.060 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2cccc(C(F)(F)F)c2O)cn1 ZINC001602342431 1350499108 /nfs/dbraw/zinc/49/91/08/1350499108.db2.gz ATSRVQIPOJIFQD-UHFFFAOYSA-N -1 1 340.257 2.434 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCC[N@@H+](CC[C@H]3CC3(Cl)Cl)C2)nn1 ZINC001602495390 1350531799 /nfs/dbraw/zinc/53/17/99/1350531799.db2.gz RZJRKDFQSVFBFO-VHSXEESVSA-N -1 1 333.219 2.197 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(Cc3cc(F)cc4cccnc43)C2)nn1 ZINC001602498572 1350532580 /nfs/dbraw/zinc/53/25/80/1350532580.db2.gz CHGRFTZYRXPSND-AWEZNQCLSA-N -1 1 341.346 2.111 20 0 EEADMM O=C([O-])c1cn(-c2cccc(NC(=O)c3ccc(F)cc3O)c2)nn1 ZINC001602495886 1350532607 /nfs/dbraw/zinc/53/26/07/1350532607.db2.gz VVYAPUZTOPVCBW-UHFFFAOYSA-N -1 1 342.286 2.063 20 0 EEADMM O=C([O-])c1sc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001602593650 1350553086 /nfs/dbraw/zinc/55/30/86/1350553086.db2.gz KFUSGIMDILPRQM-BMLIUANNSA-N -1 1 347.392 2.133 20 0 EEADMM O=C([O-])[C@H]1CN(Cc2ccc3c(c2)NC(=O)CO3)Cc2ccccc21 ZINC001602651951 1350566400 /nfs/dbraw/zinc/56/64/00/1350566400.db2.gz BSWIIMAPYRJSAV-HNNXBMFYSA-N -1 1 338.363 2.202 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001602986103 1350618689 /nfs/dbraw/zinc/61/86/89/1350618689.db2.gz UMCVHIJHKOYKBW-OAUONFCTSA-N -1 1 333.775 2.279 20 0 EEADMM CC(=O)N1CCCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001603020699 1350622980 /nfs/dbraw/zinc/62/29/80/1350622980.db2.gz OWHRRYNBEYALSC-CQSZACIVSA-N -1 1 344.333 2.385 20 0 EEADMM CC(C)(C)[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001603060377 1350630247 /nfs/dbraw/zinc/63/02/47/1350630247.db2.gz GGIWQYINESLFKP-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)(C)[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001603060377 1350630253 /nfs/dbraw/zinc/63/02/53/1350630253.db2.gz GGIWQYINESLFKP-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN([C@H](C(=O)[O-])c1cccnc1)CC2 ZINC001603075946 1350633490 /nfs/dbraw/zinc/63/34/90/1350633490.db2.gz DHUSLBRKVQGPHU-KRWDZBQOSA-N -1 1 325.368 2.224 20 0 EEADMM CC(=O)c1ccc(NC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001603111364 1350643145 /nfs/dbraw/zinc/64/31/45/1350643145.db2.gz FIECQBAHUXCXRR-QGZVFWFLSA-N -1 1 332.400 2.451 20 0 EEADMM C[C@](O)(CC(=O)OCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001603690535 1350743231 /nfs/dbraw/zinc/74/32/31/1350743231.db2.gz NQGZWDLCUBMPHZ-INIZCTEOSA-N -1 1 344.396 2.269 20 0 EEADMM CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001603721407 1350750434 /nfs/dbraw/zinc/75/04/34/1350750434.db2.gz XQQPTKBSLBLCNK-CYBMUJFWSA-N -1 1 335.448 2.096 20 0 EEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001603729149 1350752512 /nfs/dbraw/zinc/75/25/12/1350752512.db2.gz KXCZANANLWGESN-APXPCNQMSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001603729149 1350752516 /nfs/dbraw/zinc/75/25/16/1350752516.db2.gz KXCZANANLWGESN-APXPCNQMSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001603945516 1350811035 /nfs/dbraw/zinc/81/10/35/1350811035.db2.gz MGAXSIVBMAFHJQ-XCBNKYQSSA-N -1 1 333.339 2.080 20 0 EEADMM CC(C)c1cccc(NC(=O)CN[C@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC001604008799 1350828126 /nfs/dbraw/zinc/82/81/26/1350828126.db2.gz IXHHBTBAGHKYEN-JKSUJKDBSA-N -1 1 334.416 2.360 20 0 EEADMM CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604115597 1350862865 /nfs/dbraw/zinc/86/28/65/1350862865.db2.gz HLPLXIHJPUBOOD-INIZCTEOSA-N -1 1 348.410 2.168 20 0 EEADMM CC[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604115597 1350862867 /nfs/dbraw/zinc/86/28/67/1350862867.db2.gz HLPLXIHJPUBOOD-INIZCTEOSA-N -1 1 348.410 2.168 20 0 EEADMM C[C@H](CNc1cc(C(=O)[O-])ccn1)N1CCN(c2ccccc2)CC1 ZINC001604189603 1350888982 /nfs/dbraw/zinc/88/89/82/1350888982.db2.gz DATYXTFABPIQAC-OAHLLOKOSA-N -1 1 340.427 2.402 20 0 EEADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@H](C(=O)[O-])C1CC1 ZINC001604460390 1350942307 /nfs/dbraw/zinc/94/23/07/1350942307.db2.gz NNUUEPLNQBRFCC-DIFFPNOSSA-N -1 1 330.384 2.405 20 0 EEADMM CCc1nc(NC[C@@H]2CCO[C@H](C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001604564898 1350961539 /nfs/dbraw/zinc/96/15/39/1350961539.db2.gz WKKXRBQWZPULOT-YPMHNXCESA-N -1 1 331.424 2.082 20 0 EEADMM CCc1nc(NC[C@@H]2CCO[C@H](C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001604564898 1350961541 /nfs/dbraw/zinc/96/15/41/1350961541.db2.gz WKKXRBQWZPULOT-YPMHNXCESA-N -1 1 331.424 2.082 20 0 EEADMM CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604597157 1350967663 /nfs/dbraw/zinc/96/76/63/1350967663.db2.gz YXQLXJVAJAQIAT-SNVBAGLBSA-N -1 1 335.375 2.199 20 0 EEADMM CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604597157 1350967664 /nfs/dbraw/zinc/96/76/64/1350967664.db2.gz YXQLXJVAJAQIAT-SNVBAGLBSA-N -1 1 335.375 2.199 20 0 EEADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001604691949 1350986337 /nfs/dbraw/zinc/98/63/37/1350986337.db2.gz RXLJBAYQUUIQPL-NTZNESFSSA-N -1 1 337.445 2.362 20 0 EEADMM C[C@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001604751392 1350996860 /nfs/dbraw/zinc/99/68/60/1350996860.db2.gz DLSRBNHUUITBJN-IINYFYTJSA-N -1 1 344.333 2.289 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1coc2cc(F)ccc21 ZINC001604795376 1351006524 /nfs/dbraw/zinc/00/65/24/1351006524.db2.gz WFBGLMNRGJDVGJ-LLVKDONJSA-N -1 1 334.347 2.193 20 0 EEADMM COCc1cc(CNc2nc(-c3nn[n-]n3)ccc2C)ccc1F ZINC001605133006 1351083971 /nfs/dbraw/zinc/08/39/71/1351083971.db2.gz ZFHYAJQVXFWMEP-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COCc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1OC ZINC001605133678 1351085242 /nfs/dbraw/zinc/08/52/42/1351085242.db2.gz DYRXNKMSLGWBIH-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM COCc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1OC ZINC001605133678 1351085244 /nfs/dbraw/zinc/08/52/44/1351085244.db2.gz DYRXNKMSLGWBIH-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001605174585 1351095125 /nfs/dbraw/zinc/09/51/25/1351095125.db2.gz XPGJGPLXDGNWDC-OWCLPIDISA-N -1 1 331.416 2.433 20 0 EEADMM COc1ccc([C@H](C)N(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001605263309 1351118961 /nfs/dbraw/zinc/11/89/61/1351118961.db2.gz LAMXPIVPNCPGIS-NSHDSACASA-N -1 1 325.376 2.171 20 0 EEADMM COc1ccc([C@H](C)N(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001605263309 1351118963 /nfs/dbraw/zinc/11/89/63/1351118963.db2.gz LAMXPIVPNCPGIS-NSHDSACASA-N -1 1 325.376 2.171 20 0 EEADMM COc1ccccc1OCCCNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001605335125 1351139138 /nfs/dbraw/zinc/13/91/38/1351139138.db2.gz MBKGADOQEKTIEC-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1ccccc1OCCCNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001605335125 1351139143 /nfs/dbraw/zinc/13/91/43/1351139143.db2.gz MBKGADOQEKTIEC-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM CS[C@@H](CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001605369472 1351145989 /nfs/dbraw/zinc/14/59/89/1351145989.db2.gz RNMORTRIXCGDBE-JTQLQIEISA-N -1 1 335.437 2.161 20 0 EEADMM CS[C@@H](CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001605369472 1351145990 /nfs/dbraw/zinc/14/59/90/1351145990.db2.gz RNMORTRIXCGDBE-JTQLQIEISA-N -1 1 335.437 2.161 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC001605439942 1351158405 /nfs/dbraw/zinc/15/84/05/1351158405.db2.gz ACFPOIQKZKQXJR-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC001605439942 1351158406 /nfs/dbraw/zinc/15/84/06/1351158406.db2.gz ACFPOIQKZKQXJR-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3nc(C(C)C)ncc3C2)c1 ZINC001605566352 1351191467 /nfs/dbraw/zinc/19/14/67/1351191467.db2.gz YLYVOHAGNOXYNA-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3nc(C(C)C)ncc3C2)c1 ZINC001605566352 1351191469 /nfs/dbraw/zinc/19/14/69/1351191469.db2.gz YLYVOHAGNOXYNA-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM CCOC(=O)c1cccc2nc(NCc3c[nH]c(C(=O)[O-])c3)[nH]c21 ZINC001605574551 1351192397 /nfs/dbraw/zinc/19/23/97/1351192397.db2.gz WMUSDNYBHZQFQJ-UHFFFAOYSA-N -1 1 328.328 2.378 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCOc3ccc(F)cc32)n1 ZINC001605573566 1351192588 /nfs/dbraw/zinc/19/25/88/1351192588.db2.gz ZSWMYXTYAZGTDD-LLVKDONJSA-N -1 1 327.323 2.040 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCOc3ccc(F)cc32)n1 ZINC001605573566 1351192592 /nfs/dbraw/zinc/19/25/92/1351192592.db2.gz ZSWMYXTYAZGTDD-LLVKDONJSA-N -1 1 327.323 2.040 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c(F)cc1F ZINC001605588278 1351195787 /nfs/dbraw/zinc/19/57/87/1351195787.db2.gz FFYXVVWOZIHBSX-UHFFFAOYSA-N -1 1 348.265 2.086 20 0 EEADMM Cc1cc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)ccc1-c1nn[nH]n1 ZINC001605655833 1351210847 /nfs/dbraw/zinc/21/08/47/1351210847.db2.gz PCNXGDHMPOHOAR-UHFFFAOYSA-N -1 1 342.447 2.006 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cc1C ZINC001605812576 1351226961 /nfs/dbraw/zinc/22/69/61/1351226961.db2.gz QBPLQBFGAHAESG-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1C ZINC001605812576 1351226964 /nfs/dbraw/zinc/22/69/64/1351226964.db2.gz QBPLQBFGAHAESG-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc1F ZINC001605823531 1351228967 /nfs/dbraw/zinc/22/89/67/1351228967.db2.gz LDEOMMVWUHMFQC-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM Cc1ccc(N[C@@H]2c3ccccc3OC[C@@H]2F)nc1-c1nnn[n-]1 ZINC001605871897 1351242661 /nfs/dbraw/zinc/24/26/61/1351242661.db2.gz MVOFYJOANXIRLH-XHDPSFHLSA-N -1 1 326.335 2.454 20 0 EEADMM Cc1ccc(N[C@@H]2c3ccccc3OC[C@@H]2F)nc1-c1nn[n-]n1 ZINC001605871897 1351242663 /nfs/dbraw/zinc/24/26/63/1351242663.db2.gz MVOFYJOANXIRLH-XHDPSFHLSA-N -1 1 326.335 2.454 20 0 EEADMM Cc1csc(-c2ccc(Nc3ccnc(-c4nn[n-]n4)n3)cc2)n1 ZINC001605999558 1351261851 /nfs/dbraw/zinc/26/18/51/1351261851.db2.gz WRLBEWPALNEVKE-UHFFFAOYSA-N -1 1 336.384 2.254 20 0 EEADMM Cc1[nH]nc(NCc2cc(O)cc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC001606013808 1351263648 /nfs/dbraw/zinc/26/36/48/1351263648.db2.gz KFKYOHFXJWFNQM-UHFFFAOYSA-N -1 1 339.281 2.235 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2ccc([Si](C)(C)C)cc2)c1C ZINC001606021617 1351264050 /nfs/dbraw/zinc/26/40/50/1351264050.db2.gz YFQPKXRSQYXRNN-UHFFFAOYSA-N -1 1 326.480 2.274 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2ccc([Si](C)(C)C)cc2)c1C ZINC001606021617 1351264053 /nfs/dbraw/zinc/26/40/53/1351264053.db2.gz YFQPKXRSQYXRNN-UHFFFAOYSA-N -1 1 326.480 2.274 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001606292018 1351289185 /nfs/dbraw/zinc/28/91/85/1351289185.db2.gz JMOULDASGBVETJ-SNVBAGLBSA-N -1 1 340.309 2.262 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001606292018 1351289189 /nfs/dbraw/zinc/28/91/89/1351289189.db2.gz JMOULDASGBVETJ-SNVBAGLBSA-N -1 1 340.309 2.262 20 0 EEADMM COC(=O)[C@H]1CCN(Cc2ccc(CC(C)C)nc2)[C@@H](C(=O)[O-])C1 ZINC001606411475 1351301785 /nfs/dbraw/zinc/30/17/85/1351301785.db2.gz PHYOJUPQZZVAGV-GOEBONIOSA-N -1 1 334.416 2.118 20 0 EEADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])cc1O ZINC001606585372 1351326519 /nfs/dbraw/zinc/32/65/19/1351326519.db2.gz BJCMWAVNDHBSOJ-UHFFFAOYSA-N -1 1 328.353 2.253 20 0 EEADMM O=C(N[C@H]1COc2c1cccc2Cl)c1csc(-c2nn[n-]n2)c1 ZINC001606689387 1351343257 /nfs/dbraw/zinc/34/32/57/1351343257.db2.gz SLRWXNWXSMFPQZ-JTQLQIEISA-N -1 1 347.787 2.445 20 0 EEADMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1coc(-c2nnn[n-]2)c1 ZINC001606794053 1351357561 /nfs/dbraw/zinc/35/75/61/1351357561.db2.gz HRIRHLBPZBPELL-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1coc(-c2nn[n-]n2)c1 ZINC001606794053 1351357567 /nfs/dbraw/zinc/35/75/67/1351357567.db2.gz HRIRHLBPZBPELL-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCc2sccc2C1 ZINC001606830814 1351363560 /nfs/dbraw/zinc/36/35/60/1351363560.db2.gz MDMXHOGSWSCXCV-UHFFFAOYSA-N -1 1 346.441 2.258 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2ccncc2c1 ZINC001606897282 1351371549 /nfs/dbraw/zinc/37/15/49/1351371549.db2.gz CHTNWSMSIWZNGA-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606918442 1351376844 /nfs/dbraw/zinc/37/68/44/1351376844.db2.gz VCYBUTAKLCHHDS-ZDUSSCGKSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606918442 1351376847 /nfs/dbraw/zinc/37/68/47/1351376847.db2.gz VCYBUTAKLCHHDS-ZDUSSCGKSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1Cc2ccccc2C1 ZINC001606979211 1351391227 /nfs/dbraw/zinc/39/12/27/1351391227.db2.gz OIUBWDZUZKWSBY-UHFFFAOYSA-N -1 1 326.381 2.386 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@]2(CCSC2)C1 ZINC001607017263 1351398423 /nfs/dbraw/zinc/39/84/23/1351398423.db2.gz SFLUOVMTBZOKOB-CQSZACIVSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@]2(CCSC2)C1 ZINC001607017263 1351398427 /nfs/dbraw/zinc/39/84/27/1351398427.db2.gz SFLUOVMTBZOKOB-CQSZACIVSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)n1ccccc1=Nc1ccccc1 ZINC001607033530 1351401608 /nfs/dbraw/zinc/40/16/08/1351401608.db2.gz VOCFYJUYAJVEIS-UHFFFAOYSA-N -1 1 332.323 2.182 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)n1ccccc1=Nc1ccccc1 ZINC001607033530 1351401613 /nfs/dbraw/zinc/40/16/13/1351401613.db2.gz VOCFYJUYAJVEIS-UHFFFAOYSA-N -1 1 332.323 2.182 20 0 EEADMM c1cn(Cc2ccccn2)c(Sc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001607130220 1351431936 /nfs/dbraw/zinc/43/19/36/1351431936.db2.gz JVIWGMDBGJWPJS-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM c1cn(Cc2ccccn2)c(Sc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001607130220 1351431939 /nfs/dbraw/zinc/43/19/39/1351431939.db2.gz JVIWGMDBGJWPJS-UHFFFAOYSA-N -1 1 336.384 2.053 20 0 EEADMM c1ccc([C@@H]2N(c3ccnc(-c4nn[n-]n4)n3)CC23CCOCC3)cc1 ZINC001607130044 1351432105 /nfs/dbraw/zinc/43/21/05/1351432105.db2.gz ZZFJLIVKYQZBPJ-HNNXBMFYSA-N -1 1 349.398 2.015 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001607337833 1351477393 /nfs/dbraw/zinc/47/73/93/1351477393.db2.gz GFGPGIPPLQYZAC-HUUCEWRRSA-N -1 1 348.443 2.449 20 0 EEADMM CS(=O)(=O)c1cccc(CNCc2ccsc2C(=O)[O-])c1 ZINC001607382789 1351484556 /nfs/dbraw/zinc/48/45/56/1351484556.db2.gz PHHKWVYLCSWSLN-UHFFFAOYSA-N -1 1 325.411 2.140 20 0 EEADMM Cc1c(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)ccc2cncn21 ZINC001607505977 1351507101 /nfs/dbraw/zinc/50/71/01/1351507101.db2.gz CBVPWPVQHKAMFV-MRVPVSSYSA-N -1 1 330.369 2.288 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC001607599970 1351522519 /nfs/dbraw/zinc/52/25/19/1351522519.db2.gz ROEQHGRNZSJFCW-UHFFFAOYSA-N -1 1 344.390 2.335 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001607633340 1351529606 /nfs/dbraw/zinc/52/96/06/1351529606.db2.gz LMKWQTULUSFRRM-UHFFFAOYSA-N -1 1 325.320 2.414 20 0 EEADMM Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)o1 ZINC001607717383 1351545642 /nfs/dbraw/zinc/54/56/42/1351545642.db2.gz JBHKANDLYHMBPH-GFCCVEGCSA-N -1 1 341.371 2.498 20 0 EEADMM Cc1nccc(N2CCSC[C@H](C(=O)[O-])C2)c1Br ZINC001607988268 1351599039 /nfs/dbraw/zinc/59/90/39/1351599039.db2.gz KPJGJMMTTGESDJ-SECBINFHSA-N -1 1 331.235 2.407 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@H]1CCCc2ccccc21 ZINC001608297459 1351666223 /nfs/dbraw/zinc/66/62/23/1351666223.db2.gz RUTGCXRTPFEZOV-CJNGLKHVSA-N -1 1 327.384 2.032 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC001608324192 1351670848 /nfs/dbraw/zinc/67/08/48/1351670848.db2.gz AGDSUCMWUKDJLF-UHFFFAOYSA-N -1 1 341.367 2.422 20 0 EEADMM CC1(C)OC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)O1 ZINC000038640998 1352437720 /nfs/dbraw/zinc/43/77/20/1352437720.db2.gz GTOVXHVDKJBGQT-ZCFIWIBFSA-N -1 1 346.257 2.485 20 0 EEADMM C[C@H](O)c1ncc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)s1 ZINC001625596201 1352452739 /nfs/dbraw/zinc/45/27/39/1352452739.db2.gz SEVUVBDELUJNFB-JTQLQIEISA-N -1 1 329.385 2.089 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001628072604 1352519769 /nfs/dbraw/zinc/51/97/69/1352519769.db2.gz VCTQXRUPHFQFPE-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM Cc1sc2ncn(NC(=O)c3ccc([O-])cc3F)c(=O)c2c1C ZINC001628768139 1352542870 /nfs/dbraw/zinc/54/28/70/1352542870.db2.gz BPBRMMQRMFOHRY-UHFFFAOYSA-N -1 1 333.344 2.303 20 0 EEADMM C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)n1cccc1 ZINC001632496905 1352597812 /nfs/dbraw/zinc/59/78/12/1352597812.db2.gz FIXSMPNLNRBORA-ZANVPECISA-N -1 1 348.769 2.261 20 0 EEADMM O=C(c1ccc(-c2c[nH]cn2)cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001634843240 1352635826 /nfs/dbraw/zinc/63/58/26/1352635826.db2.gz QXJQGLPKBGZUSZ-CYBMUJFWSA-N -1 1 339.355 2.185 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC001642558358 1352733574 /nfs/dbraw/zinc/73/35/74/1352733574.db2.gz UJRHETUBSBYZBH-GFCCVEGCSA-N -1 1 330.298 2.052 20 0 EEADMM O=C(CCSc1cccc(Cl)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646984602 1353090234 /nfs/dbraw/zinc/09/02/34/1353090234.db2.gz OUTSLGYAEYHJTM-JTQLQIEISA-N -1 1 337.836 2.351 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)Cc1ccncc1 ZINC001647098876 1353140683 /nfs/dbraw/zinc/14/06/83/1353140683.db2.gz JIJLWCXDUPBIAR-SNVBAGLBSA-N -1 1 342.367 2.278 20 0 EEADMM C[C@@H]1C(=O)CC[C@@H](C(=O)OCC(=O)c2ccc([O-])cc2O)C1(C)C ZINC001647153781 1353167736 /nfs/dbraw/zinc/16/77/36/1353167736.db2.gz QFHFUSLROVCCJF-MFKMUULPSA-N -1 1 334.368 2.465 20 0 EEADMM COC(=O)c1cc2cc(NC(=O)CCCc3nn[n-]n3)ccc2s1 ZINC001648332003 1353425361 /nfs/dbraw/zinc/42/53/61/1353425361.db2.gz RRYGOGSZRCOOIP-UHFFFAOYSA-N -1 1 345.384 2.162 20 0 EEADMM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC001649367819 1353499713 /nfs/dbraw/zinc/49/97/13/1353499713.db2.gz ZQKNJNHEKYRUCE-UHFFFAOYSA-N -1 1 336.363 2.224 20 0 EEADMM CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001650175976 1353759626 /nfs/dbraw/zinc/75/96/26/1353759626.db2.gz SFPYSVKPLJZSAI-CYBMUJFWSA-N -1 1 348.472 2.476 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2nc3cc(C)ccc3[nH]2)c1 ZINC001662514055 1354803048 /nfs/dbraw/zinc/80/30/48/1354803048.db2.gz POAIKQULSYKQEU-UHFFFAOYSA-N -1 1 347.396 2.064 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC001662514055 1354803052 /nfs/dbraw/zinc/80/30/52/1354803052.db2.gz POAIKQULSYKQEU-UHFFFAOYSA-N -1 1 347.396 2.064 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCOC2(CCCC2)C1 ZINC000095422758 1357805799 /nfs/dbraw/zinc/80/57/99/1357805799.db2.gz NBPSLJDLKYBWOR-UHFFFAOYSA-N -1 1 333.432 2.161 20 0 EEADMM CC(C)C[C@H](CNC(=O)CC(C)(F)F)NC(=O)c1ncccc1[O-] ZINC001388518698 1387521120 /nfs/dbraw/zinc/52/11/20/1387521120.db2.gz LIXFZNFKEVLXIO-LLVKDONJSA-N -1 1 343.374 2.093 20 0 EEADMM COc1ccc(CNC(=O)Nc2cccc(C(=O)N(C)C)c2[O-])cc1 ZINC001185553950 1368158943 /nfs/dbraw/zinc/15/89/43/1368158943.db2.gz KTPCBKFWDGBDBV-UHFFFAOYSA-N -1 1 343.383 2.424 20 0 EEADMM O=S(=O)([N-]CC1(F)CCOCC1)c1cnc(Cl)c(Cl)c1 ZINC001188087976 1368281918 /nfs/dbraw/zinc/28/19/18/1368281918.db2.gz OUBNAWRCJNIPFI-UHFFFAOYSA-N -1 1 343.207 2.185 20 0 EEADMM COC(=O)c1c(O)cccc1NC(=O)c1c([O-])cc(OC)cc1OC ZINC001190136643 1368394329 /nfs/dbraw/zinc/39/43/29/1368394329.db2.gz CXTVAVDZPYUIOQ-UHFFFAOYSA-N -1 1 347.323 2.154 20 0 EEADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(C(N)=O)c2)cc1 ZINC001190431348 1368410282 /nfs/dbraw/zinc/41/02/82/1368410282.db2.gz JBZVTGVNDJZSOY-UHFFFAOYSA-N -1 1 347.440 2.091 20 0 EEADMM CCOC(=O)Cc1ccc(CNC(=O)c2cc([O-])cnc2Cl)cc1 ZINC001195306218 1368516108 /nfs/dbraw/zinc/51/61/08/1368516108.db2.gz PPYYFDSAQDKIAG-UHFFFAOYSA-N -1 1 348.786 2.476 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(CC(=O)OC)c1F ZINC001195487346 1368541009 /nfs/dbraw/zinc/54/10/09/1368541009.db2.gz UBHVLVGFBJBVSU-UHFFFAOYSA-N -1 1 332.328 2.123 20 0 EEADMM O=S(=O)([N-]c1ncc(Br)cc1F)c1ccc(O)cc1 ZINC001195766325 1368571932 /nfs/dbraw/zinc/57/19/32/1368571932.db2.gz LCZZZLPQSKCNMX-UHFFFAOYSA-N -1 1 347.165 2.490 20 0 EEADMM O=C1Cc2ccc([N-]S(=O)(=O)c3ccc4nccnc4c3)cc2C1 ZINC001198155944 1368625776 /nfs/dbraw/zinc/62/57/76/1368625776.db2.gz UGZASZYJQIOSDU-UHFFFAOYSA-N -1 1 339.376 2.098 20 0 EEADMM O=C([N-]c1nc(Cl)nc2[nH]cnc21)c1cnoc1C(F)(F)F ZINC001199049987 1368662944 /nfs/dbraw/zinc/66/29/44/1368662944.db2.gz RSQSLBBCCDQPJM-UHFFFAOYSA-N -1 1 332.629 2.265 20 0 EEADMM CCCCOC(=O)[C@H](C)[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201768948 1368841646 /nfs/dbraw/zinc/84/16/46/1368841646.db2.gz KYOBPCDZSOXFLK-ZETCQYMHSA-N -1 1 340.854 2.115 20 0 EEADMM O=S(=O)([N-]C1(CF)CC1)c1cccc(F)c1Br ZINC001201771078 1368843116 /nfs/dbraw/zinc/84/31/16/1368843116.db2.gz WWYOABJSRTYYTE-UHFFFAOYSA-N -1 1 326.162 2.369 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C(C)(C)C(F)F)NC(=O)c1ncccc1[O-] ZINC001488782667 1369067190 /nfs/dbraw/zinc/06/71/90/1369067190.db2.gz QIKYOLOPVVSXBB-ZJUUUORDSA-N -1 1 343.374 2.092 20 0 EEADMM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C[C@H](O)COc2c(C)cccc2C)n1 ZINC000852146982 1369252152 /nfs/dbraw/zinc/25/21/52/1369252152.db2.gz KHLOHOAQXIFLFW-HNNXBMFYSA-N -1 1 345.443 2.372 20 0 EEADMM COCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000389280954 1370271724 /nfs/dbraw/zinc/27/17/24/1370271724.db2.gz HYOGGCRHGAHJID-UHFFFAOYSA-N -1 1 325.342 2.233 20 0 EEADMM Cc1cccc([C@@H](C)C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001389361954 1388073452 /nfs/dbraw/zinc/07/34/52/1388073452.db2.gz ALYMJBGSKPUHEC-UONOGXRCSA-N -1 1 341.411 2.134 20 0 EEADMM CCC1(C(=O)N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CCCC1 ZINC001071952568 1370585319 /nfs/dbraw/zinc/58/53/19/1370585319.db2.gz OAYHIZLRGXDQBG-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CCc1cc(NC2(CNC(=O)c3ncccc3[O-])CCC2)nc(C)n1 ZINC001111788241 1371253643 /nfs/dbraw/zinc/25/36/43/1371253643.db2.gz ICSWLNMTVQWWGR-UHFFFAOYSA-N -1 1 341.415 2.213 20 0 EEADMM CCc1nc(C)cc(NC2(CNC(=O)c3ncccc3[O-])CCC2)n1 ZINC001111788266 1371254186 /nfs/dbraw/zinc/25/41/86/1371254186.db2.gz JKQNZYSHPYPVGI-UHFFFAOYSA-N -1 1 341.415 2.213 20 0 EEADMM Cc1ccc(N2CCNC2=O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000782490998 1371302747 /nfs/dbraw/zinc/30/27/47/1371302747.db2.gz NIJQSUOOZLMQPG-UHFFFAOYSA-N -1 1 331.397 2.325 20 0 EEADMM CCc1nn(C)c(CC)c1CC(=O)[N-]OCc1ccccc1OC ZINC000799095419 1371628166 /nfs/dbraw/zinc/62/81/66/1371628166.db2.gz MFHWSAFJXIEJHP-UHFFFAOYSA-N -1 1 331.416 2.344 20 0 EEADMM CC(C)(C)c1noc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000799172978 1371635727 /nfs/dbraw/zinc/63/57/27/1371635727.db2.gz IKFVMOFGBUVOQF-UHFFFAOYSA-N -1 1 348.369 2.258 20 0 EEADMM CCN(c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C)C(C)C ZINC001121392814 1371875046 /nfs/dbraw/zinc/87/50/46/1371875046.db2.gz YSYVADZHCYXAOL-UHFFFAOYSA-N -1 1 339.403 2.274 20 0 EEADMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000830545139 1372335215 /nfs/dbraw/zinc/33/52/15/1372335215.db2.gz RTMMAARWRDAFDA-KRWDZBQOSA-N -1 1 329.896 2.227 20 0 EEADMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000830664587 1372339187 /nfs/dbraw/zinc/33/91/87/1372339187.db2.gz TUBCIFNARRQSKI-UHFFFAOYSA-N -1 1 329.349 2.192 20 0 EEADMM CC[C@H](C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1)c1ccc(F)cc1 ZINC000831135498 1372366484 /nfs/dbraw/zinc/36/64/84/1372366484.db2.gz YKPRLQOJEIMUKZ-ZDUSSCGKSA-N -1 1 346.324 2.456 20 0 EEADMM Cc1cccc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c1Cl ZINC000831129335 1372367353 /nfs/dbraw/zinc/36/73/53/1372367353.db2.gz AZQCYKLCKNGJHA-UHFFFAOYSA-N -1 1 348.752 2.328 20 0 EEADMM CCOC[C@H]1CN(Cc2ccccc2C(=O)[O-])Cc2cnn(C)c21 ZINC001140501887 1372588402 /nfs/dbraw/zinc/58/84/02/1372588402.db2.gz OPRGBLMNTSVORP-OAHLLOKOSA-N -1 1 329.400 2.254 20 0 EEADMM CC(C)(C)OC(=O)N1CC2(CN(Cc3ccccc3C(=O)[O-])C2)C1 ZINC001140498981 1372588514 /nfs/dbraw/zinc/58/85/14/1372588514.db2.gz FTZMGHQAQQKGFB-UHFFFAOYSA-N -1 1 332.400 2.438 20 0 EEADMM CC[C@H]1CC[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)O1 ZINC000848340543 1373136421 /nfs/dbraw/zinc/13/64/21/1373136421.db2.gz HQUPUMNBSUDPDT-KXNHARMFSA-N -1 1 336.354 2.002 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3c(c2)OCCCO3)c(=O)[n-]1 ZINC001361694856 1373329799 /nfs/dbraw/zinc/32/97/99/1373329799.db2.gz GGZVEEFEHMFLHV-UHFFFAOYSA-N -1 1 333.369 2.318 20 0 EEADMM COc1cccc(O[C@@H](C)CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001362134618 1373370262 /nfs/dbraw/zinc/37/02/62/1373370262.db2.gz BOCKVYYSCCFVEI-JTQLQIEISA-N -1 1 349.412 2.110 20 0 EEADMM O=C(Nc1ccccc1CN1CCNC1=O)c1ccc([O-])cc1F ZINC001362382158 1373399240 /nfs/dbraw/zinc/39/92/40/1373399240.db2.gz PPXRLBDHUKOXNE-UHFFFAOYSA-N -1 1 329.331 2.309 20 0 EEADMM COC(=O)c1cc(C(=O)[N-]c2ncc(C3CCOCC3)s2)on1 ZINC001362592948 1373436986 /nfs/dbraw/zinc/43/69/86/1373436986.db2.gz RQDHIQVQOQUHSU-UHFFFAOYSA-N -1 1 337.357 2.064 20 0 EEADMM CS(C)(=O)=NC(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC001363510513 1373528360 /nfs/dbraw/zinc/52/83/60/1373528360.db2.gz GZCBCKPEDBHZJN-UHFFFAOYSA-N -1 1 343.202 2.158 20 0 EEADMM C[C@@H](CN(C)Cc1cccc(F)c1F)NC(=O)c1ncccc1[O-] ZINC001367794350 1374268206 /nfs/dbraw/zinc/26/82/06/1374268206.db2.gz MKQQYRGIERISAL-NSHDSACASA-N -1 1 335.354 2.316 20 0 EEADMM CC[C@@H](C)C(=O)NC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001389931283 1388370319 /nfs/dbraw/zinc/37/03/19/1388370319.db2.gz VNZRVFQALHLCFF-LLVKDONJSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001371272289 1375342966 /nfs/dbraw/zinc/34/29/66/1375342966.db2.gz ZYSCLEGAGQGYNN-MNOVXSKESA-N -1 1 331.372 2.016 20 0 EEADMM CCN(C(=O)c1cc(C)c(C)o1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001371340821 1375392370 /nfs/dbraw/zinc/39/23/70/1375392370.db2.gz FJLUHQINDCKEKR-GFCCVEGCSA-N -1 1 345.399 2.278 20 0 EEADMM CCCCC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001372203866 1375853285 /nfs/dbraw/zinc/85/32/85/1375853285.db2.gz ZLVDAXYOWAOLDZ-ZIAGYGMSSA-N -1 1 333.432 2.477 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)C1CCC1 ZINC001374118823 1376587985 /nfs/dbraw/zinc/58/79/85/1376587985.db2.gz SHAQSDFXFSWQKW-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CN(CCC1CCN(C(=O)CCC2CCC2)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001374399528 1376772937 /nfs/dbraw/zinc/77/29/37/1376772937.db2.gz CFNFUHLJPXTLBT-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM CCCc1nc(CN(C)C[C@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001375030566 1377298388 /nfs/dbraw/zinc/29/83/88/1377298388.db2.gz FFCJSLFEWXKVFM-LBPRGKRZSA-N -1 1 348.472 2.447 20 0 EEADMM CC[C@H](CNC(=O)c1cccn1C(C)C)NC(=O)c1ncccc1[O-] ZINC001375086172 1377356805 /nfs/dbraw/zinc/35/68/05/1377356805.db2.gz CIRYLVLFBOZGOT-CYBMUJFWSA-N -1 1 344.415 2.108 20 0 EEADMM O=C(NC1(CNC(=O)C2CC3(CC3)C2)CCCC1)c1ncccc1[O-] ZINC001375281832 1377582431 /nfs/dbraw/zinc/58/24/31/1377582431.db2.gz IDIHZYLZWIJSLR-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM CC[C@H](C)CCC(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001390205984 1388511292 /nfs/dbraw/zinc/51/12/92/1388511292.db2.gz QQDDZNXQYPRTKL-SCLBCKFNSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)C[C@H](CNC(=O)C[C@@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001375821776 1378029623 /nfs/dbraw/zinc/02/96/23/1378029623.db2.gz ISEQSJUPHMZSJA-UKRRQHHQSA-N -1 1 347.459 2.484 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001375890560 1378113330 /nfs/dbraw/zinc/11/33/30/1378113330.db2.gz WONSYVIDXKOTTD-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376258677 1378399202 /nfs/dbraw/zinc/39/92/02/1378399202.db2.gz HMBOHZURUZLACR-ZIAGYGMSSA-N -1 1 333.432 2.144 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1nnc(C(C)C)s1 ZINC001377295462 1379112447 /nfs/dbraw/zinc/11/24/47/1379112447.db2.gz DUTAKJGQUAIWCK-UHFFFAOYSA-N -1 1 349.460 2.014 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)ccc1F ZINC001390380399 1388615378 /nfs/dbraw/zinc/61/53/78/1388615378.db2.gz LCMBLHIQZUEYQJ-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CC(C)CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001379144969 1380578449 /nfs/dbraw/zinc/57/84/49/1380578449.db2.gz CASZBMANIXIKBI-UONOGXRCSA-N -1 1 349.479 2.005 20 0 EEADMM CC(C)(F)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001381115421 1381518251 /nfs/dbraw/zinc/51/82/51/1381518251.db2.gz KBEIIUOWCJRZCI-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001381232773 1381570706 /nfs/dbraw/zinc/57/07/06/1381570706.db2.gz KTWOXWDUFTXLIA-ZDUSSCGKSA-N -1 1 347.459 2.436 20 0 EEADMM C[C@H](CN(C)C(=O)CCCC1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001382147890 1382005621 /nfs/dbraw/zinc/00/56/21/1382005621.db2.gz AIKIOLABVAVLAM-CYBMUJFWSA-N -1 1 337.468 2.197 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001382863084 1382254000 /nfs/dbraw/zinc/25/40/00/1382254000.db2.gz JMWIBVNLZCERFB-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001384065869 1382776270 /nfs/dbraw/zinc/77/62/70/1382776270.db2.gz AMCHNMRSKNOBRP-KGLIPLIRSA-N -1 1 343.427 2.135 20 0 EEADMM CC(C)C(=O)N[C@@]1(CNC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001390873135 1388838551 /nfs/dbraw/zinc/83/85/51/1388838551.db2.gz DZBUSCFEBWHDQM-SCLBCKFNSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001384846520 1385282022 /nfs/dbraw/zinc/28/20/22/1385282022.db2.gz QXGCZSCPDKLRAS-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385566458 1385690315 /nfs/dbraw/zinc/69/03/15/1385690315.db2.gz GNZTXNSSRJBESP-FZKQIMNGSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001385636192 1385732137 /nfs/dbraw/zinc/73/21/37/1385732137.db2.gz HXSOVDWSRGEQAE-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001385796953 1385851901 /nfs/dbraw/zinc/85/19/01/1385851901.db2.gz YWDLIAFXBICBBT-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001385796951 1385852070 /nfs/dbraw/zinc/85/20/70/1385852070.db2.gz YWDLIAFXBICBBT-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@@H](CC)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385864807 1385878344 /nfs/dbraw/zinc/87/83/44/1385878344.db2.gz HJMRCLWDHSNCOZ-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386463763 1386153702 /nfs/dbraw/zinc/15/37/02/1386153702.db2.gz NANIFICJKCESKX-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)sc1C ZINC001388055269 1387160494 /nfs/dbraw/zinc/16/04/94/1387160494.db2.gz JIDWUFCGTSLROQ-GFCCVEGCSA-N -1 1 347.440 2.404 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395559191 1390838244 /nfs/dbraw/zinc/83/82/44/1390838244.db2.gz GMZPDGDOMGBCNQ-CHWSQXEVSA-N -1 1 335.448 2.436 20 0 EEADMM CC(C)(C(=O)NC[C@@H]1CC[C@H](NC(=O)c2cnn[nH]2)C1)C1CCCC1 ZINC001395952020 1390886895 /nfs/dbraw/zinc/88/68/95/1390886895.db2.gz FKPDUVRVRYNFNF-OCCSQVGLSA-N -1 1 347.463 2.036 20 0 EEADMM C[C@@H](NC(=O)C1(C)CC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396877603 1390984795 /nfs/dbraw/zinc/98/47/95/1390984795.db2.gz NFBFPNWRVVTLAO-OLZOCXBDSA-N -1 1 331.416 2.087 20 0 EEADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CCCC1)c1ccsc1 ZINC001399119026 1394717991 /nfs/dbraw/zinc/71/79/91/1394717991.db2.gz DOINZLNEGFTCIO-UHFFFAOYSA-N -1 1 345.424 2.321 20 0 EEADMM CCCCC(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1 ZINC001399203055 1394812596 /nfs/dbraw/zinc/81/25/96/1394812596.db2.gz WBBFFNOAVIYIPI-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001399773607 1395506205 /nfs/dbraw/zinc/50/62/05/1395506205.db2.gz LQPDELBRAOKTMI-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(C)(CC)C(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001399965710 1395751384 /nfs/dbraw/zinc/75/13/84/1395751384.db2.gz MLHJOEOMWMXBSE-LLVKDONJSA-N -1 1 348.447 2.120 20 0 EEADMM C=Cc1ccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)cc1 ZINC001400550142 1396422377 /nfs/dbraw/zinc/42/23/77/1396422377.db2.gz GJXXATJTTVOJCY-UHFFFAOYSA-N -1 1 337.379 2.123 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)cc1C ZINC001423697481 1400754729 /nfs/dbraw/zinc/75/47/29/1400754729.db2.gz QTWLFUZMDHVERR-CKYFFXLPSA-N -1 1 329.418 2.478 20 0 EEADMM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(C)ns1 ZINC001423999149 1400862017 /nfs/dbraw/zinc/86/20/17/1400862017.db2.gz JEXBIPIMUOIPPJ-NSHDSACASA-N -1 1 326.443 2.370 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])sc1C ZINC001425252275 1401531557 /nfs/dbraw/zinc/53/15/57/1401531557.db2.gz KTHWMDCVYNZQON-NSHDSACASA-N -1 1 347.440 2.356 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])[C@H]2C)CC1 ZINC001425683807 1401731770 /nfs/dbraw/zinc/73/17/70/1401731770.db2.gz HFGFOKMHOOOXRT-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM CCCC(C)(C)C(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001426122841 1401890215 /nfs/dbraw/zinc/89/02/15/1401890215.db2.gz FNOHFFOYNWNUIL-UHFFFAOYSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@H](NC(=O)Nc1nn[nH]c1C(=O)NC1CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001426387591 1402061051 /nfs/dbraw/zinc/06/10/51/1402061051.db2.gz LNZDOZVYZPYZSM-OUAUKWLOSA-N -1 1 334.424 2.033 20 0 EEADMM CC(C)CC1(C(=O)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC001432024144 1403183997 /nfs/dbraw/zinc/18/39/97/1403183997.db2.gz YVKFIOMRJPNIFL-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM COc1cc(C)c([S@](C)=O)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC001579916268 1403797413 /nfs/dbraw/zinc/79/74/13/1403797413.db2.gz HHOGBHRRHVMNJP-DEOSSOPVSA-N -1 1 345.384 2.108 20 0 EEADMM COc1cc(C)c([S@](C)=O)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC001579916268 1403797420 /nfs/dbraw/zinc/79/74/20/1403797420.db2.gz HHOGBHRRHVMNJP-DEOSSOPVSA-N -1 1 345.384 2.108 20 0 EEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CCC2 ZINC001580050380 1403814150 /nfs/dbraw/zinc/81/41/50/1403814150.db2.gz SJZJWPPSVCAXRW-AWEZNQCLSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCC2 ZINC001580050380 1403814163 /nfs/dbraw/zinc/81/41/63/1403814163.db2.gz SJZJWPPSVCAXRW-AWEZNQCLSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ncc(NC(=O)N[C@@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC001580139066 1403833033 /nfs/dbraw/zinc/83/30/33/1403833033.db2.gz TXBWUERPNIVLKW-QMMMGPOBSA-N -1 1 345.388 2.215 20 0 EEADMM COc1ncc(NC(=O)c2ccc(C)c(F)c2F)cc1-c1nn[n-]n1 ZINC001580138274 1403833576 /nfs/dbraw/zinc/83/35/76/1403833576.db2.gz JJILGOWXMSFQCY-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM Cc1ccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c(Br)c1 ZINC001581202026 1403878203 /nfs/dbraw/zinc/87/82/03/1403878203.db2.gz GFOJXSHMNZWPFT-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NCc1cccc(-c2nnn[n-]2)n1 ZINC001590753213 1403897024 /nfs/dbraw/zinc/89/70/24/1403897024.db2.gz SJJGTTLGKSQNOU-CQSZACIVSA-N -1 1 346.435 2.109 20 0 EEADMM CCOC(=O)[C@@H](CCC(C)(C)C)NCc1cccc(-c2nn[n-]n2)n1 ZINC001590753213 1403897030 /nfs/dbraw/zinc/89/70/30/1403897030.db2.gz SJJGTTLGKSQNOU-CQSZACIVSA-N -1 1 346.435 2.109 20 0 EEADMM COc1cc(OC)cc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC001591552652 1403927200 /nfs/dbraw/zinc/92/72/00/1403927200.db2.gz RJAGLKQEFOPKNU-UHFFFAOYSA-N -1 1 328.332 2.083 20 0 EEADMM COc1cc(OC)cc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC001591552652 1403927205 /nfs/dbraw/zinc/92/72/05/1403927205.db2.gz RJAGLKQEFOPKNU-UHFFFAOYSA-N -1 1 328.332 2.083 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC001591889253 1403969090 /nfs/dbraw/zinc/96/90/90/1403969090.db2.gz RVHJRAWPNFOQBL-YUELXQCFSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC001591889253 1403969095 /nfs/dbraw/zinc/96/90/95/1403969095.db2.gz RVHJRAWPNFOQBL-YUELXQCFSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC(C)(C)c2ccc(F)cc2)n1 ZINC001591893901 1403970397 /nfs/dbraw/zinc/97/03/97/1403970397.db2.gz HOBQRXQGKSIUSD-UHFFFAOYSA-N -1 1 327.367 2.494 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC(C)(C)c2ccc(F)cc2)n1 ZINC001591893901 1403970401 /nfs/dbraw/zinc/97/04/01/1403970401.db2.gz HOBQRXQGKSIUSD-UHFFFAOYSA-N -1 1 327.367 2.494 20 0 EEADMM Cc1ccc(CN(Cn2cccc(-c3nnn[n-]3)c2=O)C(C)C)s1 ZINC001592152967 1404011850 /nfs/dbraw/zinc/01/18/50/1404011850.db2.gz SJISPDYXNQMKGA-UHFFFAOYSA-N -1 1 344.444 2.266 20 0 EEADMM Cc1cscc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592324400 1404019325 /nfs/dbraw/zinc/01/93/25/1404019325.db2.gz LZINODMHKDEBPL-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1cscc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592324400 1404019335 /nfs/dbraw/zinc/01/93/35/1404019335.db2.gz LZINODMHKDEBPL-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C2CCC2)CC1 ZINC001592914182 1404729113 /nfs/dbraw/zinc/72/91/13/1404729113.db2.gz YSVLWCRLFHHHSD-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C2CCC2)CC1 ZINC001592914182 1404729115 /nfs/dbraw/zinc/72/91/15/1404729115.db2.gz YSVLWCRLFHHHSD-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(-c2nnn[n-]2)o1 ZINC001593023080 1404733134 /nfs/dbraw/zinc/73/31/34/1404733134.db2.gz QCOXHQQUOUVGQL-UHFFFAOYSA-N -1 1 327.388 2.262 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(-c2nn[n-]n2)o1 ZINC001593023080 1404733142 /nfs/dbraw/zinc/73/31/42/1404733142.db2.gz QCOXHQQUOUVGQL-UHFFFAOYSA-N -1 1 327.388 2.262 20 0 EEADMM O=C(NC[C@H]1CCCCC1(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593031544 1404736403 /nfs/dbraw/zinc/73/64/03/1404736403.db2.gz BHFRJJMUPKCYBU-SECBINFHSA-N -1 1 327.360 2.484 20 0 EEADMM CN(C)[C@@H]1CCOc2c(NC(=O)C34CC(C(=O)[O-])(C3)C4)cccc21 ZINC001606016207 1404754697 /nfs/dbraw/zinc/75/46/97/1404754697.db2.gz FTTQDMCZQDVVPP-NLNFPOJYSA-N -1 1 330.384 2.265 20 0 EEADMM CN(C)[C@H]1CCOc2c(NC(=O)C34CC(C(=O)[O-])(C3)C4)cccc21 ZINC001606016208 1404755102 /nfs/dbraw/zinc/75/51/02/1404755102.db2.gz FTTQDMCZQDVVPP-TZYSRNFLSA-N -1 1 330.384 2.265 20 0 EEADMM C[N@@H+](CC(=O)[O-])Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001606088192 1404765984 /nfs/dbraw/zinc/76/59/84/1404765984.db2.gz WDKBSCGMNXTYJA-UHFFFAOYSA-N -1 1 329.352 2.480 20 0 EEADMM CNc1nc(C)ccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001606314340 1404790192 /nfs/dbraw/zinc/79/01/92/1404790192.db2.gz PLXFSNNHZIXCCF-UHFFFAOYSA-N -1 1 325.328 2.259 20 0 EEADMM Fc1ccc2[nH]cc(CCCNc3nccnc3-c3nnn[n-]3)c2c1 ZINC001606327091 1404793798 /nfs/dbraw/zinc/79/37/98/1404793798.db2.gz VXVLVGJICILXBG-UHFFFAOYSA-N -1 1 338.350 2.322 20 0 EEADMM Fc1ccc2[nH]cc(CCCNc3nccnc3-c3nn[n-]n3)c2c1 ZINC001606327091 1404793805 /nfs/dbraw/zinc/79/38/05/1404793805.db2.gz VXVLVGJICILXBG-UHFFFAOYSA-N -1 1 338.350 2.322 20 0 EEADMM 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948990082 /nfs/dbraw/zinc/99/00/82/948990082.db2.gz PSIDTAURCFORPY-NSHDSACASA-N -1 1 338.371 2.070 20 0 EEADMM CN(Cc1ccc2c(c1)OC(F)(F)O2)c1ccnc(-c2nnn[n-]2)c1 ZINC001570945264 949470528 /nfs/dbraw/zinc/47/05/28/949470528.db2.gz TVTHYNLJCAZFKS-UHFFFAOYSA-N -1 1 346.297 2.220 20 0 EEADMM CN(Cc1ccc2c(c1)OC(F)(F)O2)c1ccnc(-c2nn[n-]n2)c1 ZINC001570945264 949470543 /nfs/dbraw/zinc/47/05/43/949470543.db2.gz TVTHYNLJCAZFKS-UHFFFAOYSA-N -1 1 346.297 2.220 20 0 EEADMM O=C([O-])CCc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000325582050 951088199 /nfs/dbraw/zinc/08/81/99/951088199.db2.gz AOEFQNXFFPMHAZ-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM C[C@@H]1CCCN([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1C(=O)[O-] ZINC001589327194 953920896 /nfs/dbraw/zinc/92/08/96/953920896.db2.gz CEXGEHQYQSHNTQ-PVAVHDDUSA-N -1 1 330.428 2.363 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCC[C@@H](CC(=O)[O-])C3)nc2c1 ZINC001593886737 955758176 /nfs/dbraw/zinc/75/81/76/955758176.db2.gz LYJCYOSWAFLKPZ-NSHDSACASA-N -1 1 331.372 2.036 20 0 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C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2F)CCN1CCC(=O)[O-] ZINC001594493572 985617245 /nfs/dbraw/zinc/61/72/45/985617245.db2.gz CXAHFZBMDPHILI-SNVBAGLBSA-N -1 1 344.333 2.384 20 0 EEADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)C[C@]2(CCOC2)O1 ZINC001594502540 985692960 /nfs/dbraw/zinc/69/29/60/985692960.db2.gz TUQWMQYENABKLX-XFJVYGCCSA-N -1 1 325.792 2.346 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CC/C=C/c1ccccc1 ZINC001594514920 985860037 /nfs/dbraw/zinc/86/00/37/985860037.db2.gz KMKBIOIEZGRQLV-DXWDOBMASA-N -1 1 330.428 2.487 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001594516754 985912927 /nfs/dbraw/zinc/91/29/27/985912927.db2.gz RVSKAUNRJKQTDH-VNQPRFMTSA-N -1 1 337.464 2.003 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001589396674 986525078 /nfs/dbraw/zinc/52/50/78/986525078.db2.gz JHKHTUUMPRWFSZ-ZYHUDNBSSA-N -1 1 344.333 2.084 20 0 EEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001589397006 986530747 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EEADMM COc1ccc2c(c1)C[C@H](CNC(C)(C)c1cc(C(=O)[O-])on1)O2 ZINC001599625700 994145000 /nfs/dbraw/zinc/14/50/00/994145000.db2.gz CYXWJDJNPKMKRI-GFCCVEGCSA-N -1 1 332.356 2.210 20 0 EEADMM C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)NCCc1ccccc1 ZINC001593210724 994253236 /nfs/dbraw/zinc/25/32/36/994253236.db2.gz RZIRVKHQJUHXQC-MAUKXSAKSA-N -1 1 340.423 2.019 20 0 EEADMM COCc1cccc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001599297423 997171000 /nfs/dbraw/zinc/17/10/00/997171000.db2.gz NMSKESMCFNMHBX-UHFFFAOYSA-N -1 1 336.369 2.035 20 0 EEADMM COCCCn1c(C)cc(C(=O)CN2CCC[C@@H]2CC(=O)[O-])c1C ZINC001599230500 997840517 /nfs/dbraw/zinc/84/05/17/997840517.db2.gz VGFRSOOQOPSFNM-OAHLLOKOSA-N -1 1 336.432 2.263 20 0 EEADMM C[C@@]1(O)CCCN(Cc2c(Br)cccc2C(=O)[O-])C1 ZINC001594067040 997888798 /nfs/dbraw/zinc/88/87/98/997888798.db2.gz UFUZNIBMAFTJEI-CQSZACIVSA-N -1 1 328.206 2.494 20 0 EEADMM COc1cc(NC(=O)c2cccc3nc(CO)[nH]c32)ccc1C(=O)[O-] ZINC001599442058 997944864 /nfs/dbraw/zinc/94/48/64/997944864.db2.gz ZSIDPXMBRVXHKL-UHFFFAOYSA-N -1 1 341.323 2.014 20 0 EEADMM COc1ccc(CN(CCC(=O)[O-])C[C@H]2CCCO2)c(F)c1OC ZINC001599558391 998138956 /nfs/dbraw/zinc/13/89/56/998138956.db2.gz ICMXVPQRFPXVHY-CYBMUJFWSA-N -1 1 341.379 2.299 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)O1 ZINC001594103905 998144797 /nfs/dbraw/zinc/14/47/97/998144797.db2.gz GDHXEIAPDLEXKZ-NVXWUHKLSA-N -1 1 345.374 2.386 20 0 EEADMM COc1ccc(C(=O)COc2ccc(C(=O)[O-])cc2)c2c1C(=O)CO2 ZINC001599479046 998578759 /nfs/dbraw/zinc/57/87/59/998578759.db2.gz HWGRHAQRFIFHOW-UHFFFAOYSA-N -1 1 342.303 2.230 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594448306 999643967 /nfs/dbraw/zinc/64/39/67/999643967.db2.gz QPTNSMNXZCISJJ-APPDUMDISA-N -1 1 339.395 2.359 20 0 EEADMM CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001446021098 1092007365 /nfs/dbraw/zinc/00/73/65/1092007365.db2.gz DAWMHKPKTBEOBV-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCC1(C)C ZINC001448501518 1093528867 /nfs/dbraw/zinc/52/88/67/1093528867.db2.gz KBNLHCYSZLFVMS-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](F)C(=O)N[C@@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001443047888 1097456387 /nfs/dbraw/zinc/45/63/87/1097456387.db2.gz ACFKPSYUUDBDLJ-OLZOCXBDSA-N -1 1 339.411 2.138 20 0 EEADMM CCCC[C@@H](CNC(=O)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001443123139 1097543422 /nfs/dbraw/zinc/54/34/22/1097543422.db2.gz YCZPQRHXEKEXNA-AWEZNQCLSA-N -1 1 333.432 2.382 20 0 EEADMM NC(=O)OC[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC001451475475 1097653107 /nfs/dbraw/zinc/65/31/07/1097653107.db2.gz BBGVKFBWQXGBNO-ZDUSSCGKSA-N -1 1 332.331 2.382 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001451750387 1097888993 /nfs/dbraw/zinc/88/89/93/1097888993.db2.gz RPULTZOUHONMLV-OAHLLOKOSA-N -1 1 341.411 2.362 20 0 EEADMM COc1ccc(OCC(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)cc1 ZINC001452117911 1098228213 /nfs/dbraw/zinc/22/82/13/1098228213.db2.gz VPXURUMYRQRXQY-UHFFFAOYSA-N -1 1 347.371 2.391 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCCN(c3ccccc3)C2)c(=O)[n-]1 ZINC001444206924 1098766717 /nfs/dbraw/zinc/76/67/17/1098766717.db2.gz IJKWAIKRWBHKFZ-LBPRGKRZSA-N -1 1 344.440 2.303 20 0 EEADMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ncc2ccccc2c1[O-] ZINC001446709578 1101276920 /nfs/dbraw/zinc/27/69/20/1101276920.db2.gz DAIHVOHGLAOATG-UHFFFAOYSA-N -1 1 334.335 2.452 20 0 EEADMM CN(CC[N@H+](C)CCOc1ccccc1F)C(=O)c1ncccc1[O-] ZINC001496691503 1101289610 /nfs/dbraw/zinc/28/96/10/1101289610.db2.gz SNQWHXSSURYSTA-UHFFFAOYSA-N -1 1 347.390 2.009 20 0 EEADMM CCN(CCNC(=O)c1csc(C)c1C)C(=O)c1ncccc1[O-] ZINC001496766222 1101425334 /nfs/dbraw/zinc/42/53/34/1101425334.db2.gz YVLJAKGLTXNGTO-UHFFFAOYSA-N -1 1 347.440 2.358 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001447067948 1101913690 /nfs/dbraw/zinc/91/36/90/1101913690.db2.gz ZTSRVUYJJPOEDF-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1n[nH]c(C(=O)NCC[C@@H](C)NCc2ncc(C(C)(C)C)o2)c1[O-] ZINC001480759443 1107060731 /nfs/dbraw/zinc/06/07/31/1107060731.db2.gz PBZBKHYTIJNSQY-SNVBAGLBSA-N -1 1 349.435 2.007 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1sccc1C ZINC001499025076 1108472061 /nfs/dbraw/zinc/47/20/61/1108472061.db2.gz CUWTWZIYLFPPPX-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCCC[C@H]1C ZINC001455559955 1108687204 /nfs/dbraw/zinc/68/72/04/1108687204.db2.gz SVTHYGKOZZMPHQ-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001457600575 1109689628 /nfs/dbraw/zinc/68/96/28/1109689628.db2.gz MEVCDEWBMXORGI-ZDUSSCGKSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1cnc(SCCS(=O)(=O)Nc2ccccc2)[n-]c1=O ZINC001459097417 1110075912 /nfs/dbraw/zinc/07/59/12/1110075912.db2.gz ZEBLQFLUZUTBNX-UHFFFAOYSA-N -1 1 325.415 2.025 20 0 EEADMM CN(C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1nn[n-]n1 ZINC001461560677 1110344740 /nfs/dbraw/zinc/34/47/40/1110344740.db2.gz WGKCXOUQNIBWPE-UHFFFAOYSA-N -1 1 345.366 2.329 20 0 EEADMM CC[C@H](NS(=O)(=O)c1cc(OC)ccc1[O-])c1c(C)noc1C ZINC001463360431 1110372191 /nfs/dbraw/zinc/37/21/91/1110372191.db2.gz JAYIPFCQQMFPFE-LBPRGKRZSA-N -1 1 340.401 2.435 20 0 EEADMM NC(=O)c1ccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])cc1 ZINC001463558642 1110376370 /nfs/dbraw/zinc/37/63/70/1110376370.db2.gz QWVVLCXPXIZTNR-UHFFFAOYSA-N -1 1 336.347 2.280 20 0 EEADMM CCNC(=O)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC001463733203 1110379690 /nfs/dbraw/zinc/37/96/90/1110379690.db2.gz DBJPCNNHYJUOAH-UHFFFAOYSA-N -1 1 326.356 2.062 20 0 EEADMM CN(C(=O)c1ccc([O-])cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001464940625 1110407845 /nfs/dbraw/zinc/40/78/45/1110407845.db2.gz LQPAMCDVPXVXCN-OAHLLOKOSA-N -1 1 345.786 2.318 20 0 EEADMM C[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(=O)NC(C)(C)C ZINC001467114399 1110449291 /nfs/dbraw/zinc/44/92/91/1110449291.db2.gz ULCGOHDYCDWTQM-NSHDSACASA-N -1 1 345.403 2.003 20 0 EEADMM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nccc(N)n1 ZINC001468400314 1110474054 /nfs/dbraw/zinc/47/40/54/1110474054.db2.gz BLBUKNOQQAJRFV-SSDOTTSWSA-N -1 1 328.269 2.306 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])n(C)n1 ZINC001472088333 1110541888 /nfs/dbraw/zinc/54/18/88/1110541888.db2.gz FZIQSGVUBHNPJL-UHFFFAOYSA-N -1 1 325.324 2.318 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCOc4c(F)cccc43)ccnc1-2 ZINC001476503123 1110630257 /nfs/dbraw/zinc/63/02/57/1110630257.db2.gz GKNVVPXUCUNECP-CQSZACIVSA-N -1 1 341.346 2.126 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCc1ccsc1 ZINC001477249404 1110641820 /nfs/dbraw/zinc/64/18/20/1110641820.db2.gz XMVNAGMDHDDZCK-ONGXEEELSA-N -1 1 349.378 2.489 20 0 EEADMM COCc1nc(N2CCC(Nc3nc(C)cs3)CC2)cc(=O)[n-]1 ZINC001548516843 1113922789 /nfs/dbraw/zinc/92/27/89/1113922789.db2.gz YEPSYBSOQNLSPZ-UHFFFAOYSA-N -1 1 335.433 2.174 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001505835455 1114223017 /nfs/dbraw/zinc/22/30/17/1114223017.db2.gz VQDXZCKHFQZQEE-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001514589108 1118799011 /nfs/dbraw/zinc/79/90/11/1118799011.db2.gz RYIYHOGLVDXCRT-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(CC(C)(C)C)nn1C ZINC001520975428 1119205586 /nfs/dbraw/zinc/20/55/86/1119205586.db2.gz JPJAUQHMJPKSJU-UHFFFAOYSA-N -1 1 335.433 2.354 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cnc(-c2ccccn2)nc1 ZINC001525150093 1120275165 /nfs/dbraw/zinc/27/51/65/1120275165.db2.gz YYQRYJWIWKSEHV-UHFFFAOYSA-N -1 1 348.366 2.165 20 0 EEADMM CCCCC(=O)NCC[C@@H](C)NC(=O)c1nnc2ccccc2c1O ZINC001527456809 1120796712 /nfs/dbraw/zinc/79/67/12/1120796712.db2.gz NSRXIPIZYGPVTR-GFCCVEGCSA-N -1 1 344.415 2.150 20 0 EEADMM Cc1ccc2c(CC(=O)N3CC[C@@H](c4nn[n-]n4)C3)coc2c1C ZINC001528723074 1121142879 /nfs/dbraw/zinc/14/28/79/1121142879.db2.gz JFWDSAFCUZILSQ-GFCCVEGCSA-N -1 1 325.372 2.121 20 0 EEADMM Cc1ccc(-c2nc(CN3C[C@H]4COC[C@]4(C(=O)[O-])C3)cs2)o1 ZINC001549283422 1121189208 /nfs/dbraw/zinc/18/92/08/1121189208.db2.gz KBTKKHKRIGQRBT-MEDUHNTESA-N -1 1 334.397 2.245 20 0 EEADMM CCn1ccnc1[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC001549445782 1121267140 /nfs/dbraw/zinc/26/71/40/1121267140.db2.gz WKIFSYJGUSVLSP-IAQYHMDHSA-N -1 1 333.363 2.255 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])C[C@H](c2nc(C3CC3)no2)O1 ZINC001549673694 1121405060 /nfs/dbraw/zinc/40/50/60/1121405060.db2.gz SIWZPAJPIQAKOI-LKFCYVNXSA-N -1 1 347.346 2.394 20 0 EEADMM Cc1nn(C)cc1[C@H]1OCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001549834494 1121482340 /nfs/dbraw/zinc/48/23/40/1121482340.db2.gz GJRCQQGFCUBVKH-RHSMWYFYSA-N -1 1 349.818 2.276 20 0 EEADMM O=C([C@H]1C[C@H]1CF)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001550717406 1122044095 /nfs/dbraw/zinc/04/40/95/1122044095.db2.gz IJBMJKAJQCLRQS-STQMWFEESA-N -1 1 326.799 2.295 20 0 EEADMM CCC1(C(=O)NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])CC1 ZINC001532453076 1122752179 /nfs/dbraw/zinc/75/21/79/1122752179.db2.gz BCRDOVKEFIIWRM-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nn[n-]n1 ZINC001532480915 1122764477 /nfs/dbraw/zinc/76/44/77/1122764477.db2.gz LVCWYFQSGIUOSG-UHFFFAOYSA-N -1 1 347.791 2.071 20 0 EEADMM CCCCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC001533048869 1123045507 /nfs/dbraw/zinc/04/55/07/1123045507.db2.gz BKGDXKMMMNBXMF-KBPBESRZSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(=O)[nH]c(C2CC2)n1 ZINC001540729244 1124091922 /nfs/dbraw/zinc/09/19/22/1124091922.db2.gz OMTFBQIWDHWPRR-UHFFFAOYSA-N -1 1 337.339 2.408 20 0 EEADMM O=C(CCCc1nn[n-]n1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC001543624058 1124132670 /nfs/dbraw/zinc/13/26/70/1124132670.db2.gz CGEPLFRLWWUHQO-LBPRGKRZSA-N -1 1 340.387 2.070 20 0 EEADMM CC(C)n1cc([C@H]2CN(C(=O)c3ccc([O-])c(F)c3)C[C@H]2CO)cn1 ZINC001548446121 1124290564 /nfs/dbraw/zinc/29/05/64/1124290564.db2.gz RVOIDAFNVJUXNE-LSDHHAIUSA-N -1 1 347.390 2.157 20 0 EEADMM CO[C@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC001548500015 1124309944 /nfs/dbraw/zinc/30/99/44/1124309944.db2.gz SFMYXADGNZLGNN-JQWIXIFHSA-N -1 1 336.779 2.074 20 0 EEADMM O=C([O-])[C@H]1C[C@H]2C[C@@H](NC(=O)c3ccc(CN4CCCCC4)o3)[C@H]2C1 ZINC001551451352 1124432197 /nfs/dbraw/zinc/43/21/97/1124432197.db2.gz RFQNGUSNAQCPMU-DARAHFNDSA-N -1 1 346.427 2.495 20 0 EEADMM O=C(C1CCC(c2ccccc2)CC1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548764248 1124486514 /nfs/dbraw/zinc/48/65/14/1124486514.db2.gz NXTOMJIJUYPUDI-GPANFISMSA-N -1 1 325.416 2.490 20 0 EEADMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548766754 1124489539 /nfs/dbraw/zinc/48/95/39/1124489539.db2.gz XMINXPDAKOCZQM-QWHCGFSZSA-N -1 1 343.431 2.281 20 0 EEADMM CC(C)CN1CCO[C@H](CNC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000052843209 214150821 /nfs/dbraw/zinc/15/08/21/214150821.db2.gz QWALYPIBFXJERT-CYBMUJFWSA-N -1 1 326.824 2.132 20 0 EEADMM CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000055620440 214334641 /nfs/dbraw/zinc/33/46/41/214334641.db2.gz ZOMFTWFCDFAFGS-UHFFFAOYSA-N -1 1 343.792 2.105 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCC1(C)C ZINC000174936450 231348625 /nfs/dbraw/zinc/34/86/25/231348625.db2.gz ZMEBSICXQWXSFS-HNNXBMFYSA-N -1 1 340.427 2.378 20 0 EEADMM CCN(CC)c1ccc(C(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067118987 215114054 /nfs/dbraw/zinc/11/40/54/215114054.db2.gz DWBLKBATLCEGPZ-UHFFFAOYSA-N -1 1 333.461 2.296 20 0 EEADMM O=S(=O)(Cc1ccc(CO)cc1)c1nc(-c2ccccc2F)n[n-]1 ZINC000195128071 539654203 /nfs/dbraw/zinc/65/42/03/539654203.db2.gz TWEMLEXGAFROSC-UHFFFAOYSA-N -1 1 347.371 2.077 20 0 EEADMM O=S(=O)(Cc1ccc(CO)cc1)c1n[n-]c(-c2ccccc2F)n1 ZINC000195128071 539654207 /nfs/dbraw/zinc/65/42/07/539654207.db2.gz TWEMLEXGAFROSC-UHFFFAOYSA-N -1 1 347.371 2.077 20 0 EEADMM COC(C)(C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230897261 539659933 /nfs/dbraw/zinc/65/99/33/539659933.db2.gz HHYDPVCWHJWCAK-UHFFFAOYSA-N -1 1 349.168 2.152 20 0 EEADMM O=S(=O)([N-]CCc1ccc(CO)cc1)c1cc(F)c(F)cc1F 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/nfs/dbraw/zinc/35/01/98/576350198.db2.gz DYWQHNKWMNOUHG-UHFFFAOYSA-N -1 1 346.269 2.380 20 0 EEADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1Cl ZINC000738380860 576359167 /nfs/dbraw/zinc/35/91/67/576359167.db2.gz DBYMJKWZAJUHGN-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1Cl ZINC000738380860 576359169 /nfs/dbraw/zinc/35/91/69/576359169.db2.gz DBYMJKWZAJUHGN-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM COC[C@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230890680 576599681 /nfs/dbraw/zinc/59/96/81/576599681.db2.gz WSIJVVIUIIYGQR-MRVPVSSYSA-N -1 1 349.168 2.009 20 0 EEADMM CCc1ccc([C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C(C)C)cc1 ZINC000729258714 576622847 /nfs/dbraw/zinc/62/28/47/576622847.db2.gz LIOPKEJGERVMCK-QGZVFWFLSA-N -1 1 343.427 2.003 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c1Cl ZINC000730267822 577013623 /nfs/dbraw/zinc/01/36/23/577013623.db2.gz DQVMKDBRUPQWBH-NSHDSACASA-N -1 1 329.784 2.178 20 0 EEADMM O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc(=O)[nH][n-]1 ZINC000731870210 577128980 /nfs/dbraw/zinc/12/89/80/577128980.db2.gz UWWUIKPLAAGVQX-UHFFFAOYSA-N -1 1 337.314 2.183 20 0 EEADMM C[C@H](CCc1ccccc1F)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773164003 577320091 /nfs/dbraw/zinc/32/00/91/577320091.db2.gz VUIPQUVQUHEQHU-BXUZGUMPSA-N -1 1 349.435 2.224 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000734848307 577330019 /nfs/dbraw/zinc/33/00/19/577330019.db2.gz MNAMSKOCSOIWSZ-CQSZACIVSA-N -1 1 339.367 2.419 20 0 EEADMM CCOc1cc(C(=O)NCCOC(=O)C2CC2)cc(Cl)c1[O-] ZINC000773450700 577343746 /nfs/dbraw/zinc/34/37/46/577343746.db2.gz LPKYJSONGBVPFR-UHFFFAOYSA-N -1 1 327.764 2.127 20 0 EEADMM CN(Cc1ccccc1F)C(=O)COC(=O)c1ccc([O-])cc1F ZINC000773567844 577351928 /nfs/dbraw/zinc/35/19/28/577351928.db2.gz DCVXGPYSWOLBQR-UHFFFAOYSA-N -1 1 335.306 2.486 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774903613 577422668 /nfs/dbraw/zinc/42/26/68/577422668.db2.gz WPLZJJRXPPZORK-NSHDSACASA-N -1 1 333.306 2.374 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)COC(C)(C)OC2)c1 ZINC000775031874 577427093 /nfs/dbraw/zinc/42/70/93/577427093.db2.gz FSUBVAWXZPWUND-UHFFFAOYSA-N -1 1 336.384 2.470 20 0 EEADMM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nn1[C@@H](C)C1CC1 ZINC000777188943 577474642 /nfs/dbraw/zinc/47/46/42/577474642.db2.gz QEMSHYVOMGWXJA-JTQLQIEISA-N -1 1 347.337 2.388 20 0 EEADMM C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4nc(=O)n(C)[n-]4)cc3c2C1 ZINC000765398383 577500286 /nfs/dbraw/zinc/50/02/86/577500286.db2.gz IOOONYFLDYHDMP-JTQLQIEISA-N -1 1 340.383 2.072 20 0 EEADMM Cc1ccccc1C1(C(=O)OCc2nc(=O)n(C)[n-]2)CCCCC1 ZINC000765459039 577501334 /nfs/dbraw/zinc/50/13/34/577501334.db2.gz AWJAVOSEEDAUEM-UHFFFAOYSA-N -1 1 329.400 2.362 20 0 EEADMM CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765469205 577501503 /nfs/dbraw/zinc/50/15/03/577501503.db2.gz XZNRRTXEOXJMOZ-VMPCVLLUSA-N -1 1 331.372 2.042 20 0 EEADMM Cc1nn(C)c2nc(C)c(CCC(=O)[N-]OCC(F)(F)F)c(C)c12 ZINC000766759443 577524302 /nfs/dbraw/zinc/52/43/02/577524302.db2.gz VRCJEEKVNSFZRB-UHFFFAOYSA-N -1 1 344.337 2.436 20 0 EEADMM Cn1cc(C=CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000769282714 577574029 /nfs/dbraw/zinc/57/40/29/577574029.db2.gz PPGOUSUYBTWBPX-UQCOIBPSSA-N -1 1 339.395 2.260 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000769743720 577583353 /nfs/dbraw/zinc/58/33/53/577583353.db2.gz ONXNTLMOFJHHMG-LLVKDONJSA-N -1 1 340.832 2.183 20 0 EEADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1c([O-])cccc1Cl ZINC000769755639 577583654 /nfs/dbraw/zinc/58/36/54/577583654.db2.gz ZTSZQMHSABUDKU-SNVBAGLBSA-N -1 1 328.821 2.039 20 0 EEADMM O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1c([O-])cccc1Cl ZINC000770018321 577589069 /nfs/dbraw/zinc/58/90/69/577589069.db2.gz YFRXSIOARKEPDR-KGLIPLIRSA-N -1 1 338.835 2.419 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCCOCC(C)C)c(=O)[n-]1 ZINC000759702577 577648151 /nfs/dbraw/zinc/64/81/51/577648151.db2.gz NETSQWCLJGJHFX-UHFFFAOYSA-N -1 1 328.434 2.361 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)Cc2ccc(C(N)=O)cc2)c1 ZINC000753476607 577788127 /nfs/dbraw/zinc/78/81/27/577788127.db2.gz SYHXEZXPNGKESV-UHFFFAOYSA-N -1 1 341.363 2.022 20 0 EEADMM CC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccn(C)n1 ZINC000756869815 577851988 /nfs/dbraw/zinc/85/19/88/577851988.db2.gz ZJZSKOWVPIUKEI-GFCCVEGCSA-N -1 1 338.433 2.363 20 0 EEADMM O=C(NCc1ccon1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000747515459 577945700 /nfs/dbraw/zinc/94/57/00/577945700.db2.gz YRMNVMJTCGCWAF-UHFFFAOYSA-N -1 1 329.356 2.185 20 0 EEADMM C[C@H]1CN=C(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)S1 ZINC000748339505 577959520 /nfs/dbraw/zinc/95/95/20/577959520.db2.gz MRBPXXTUTISGJK-JTQLQIEISA-N -1 1 339.848 2.295 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCC(O[C@H]2CCOC2)CC1 ZINC000748508975 577963230 /nfs/dbraw/zinc/96/32/30/577963230.db2.gz AHEXXHVGADSCEI-LBPRGKRZSA-N -1 1 325.792 2.456 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1[O-] ZINC000749205150 577972696 /nfs/dbraw/zinc/97/26/96/577972696.db2.gz YKODRQQZLDVHCY-NXEZZACHSA-N -1 1 348.378 2.429 20 0 EEADMM Cn1cc(C2CCN(Cn3ncc4cc(C(=O)[O-])ccc43)CC2)cn1 ZINC000739027516 578035718 /nfs/dbraw/zinc/03/57/18/578035718.db2.gz PATBVGKYAPIAOX-UHFFFAOYSA-N -1 1 339.399 2.305 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000739537696 578057310 /nfs/dbraw/zinc/05/73/10/578057310.db2.gz APUHFCOMACKPBN-GZBFAFLISA-N -1 1 336.819 2.314 20 0 EEADMM O=C([O-])NCCCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000739961715 578075595 /nfs/dbraw/zinc/07/55/95/578075595.db2.gz SAIRGYUJNJMMHZ-CYBMUJFWSA-N -1 1 332.360 2.401 20 0 EEADMM O=C([O-])C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000740476297 578095520 /nfs/dbraw/zinc/09/55/20/578095520.db2.gz XXRFXDGGNRMWPF-OAHLLOKOSA-N -1 1 349.431 2.313 20 0 EEADMM Brc1csc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000735375955 578149768 /nfs/dbraw/zinc/14/97/68/578149768.db2.gz UQXDUAQYXHQDHA-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1csc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000735375955 578149769 /nfs/dbraw/zinc/14/97/69/578149769.db2.gz UQXDUAQYXHQDHA-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC(C)(CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735666683 578163726 /nfs/dbraw/zinc/16/37/26/578163726.db2.gz RHVRYBSIGFFCOQ-UHFFFAOYSA-N -1 1 336.399 2.359 20 0 EEADMM CC(C)(CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735666683 578163727 /nfs/dbraw/zinc/16/37/27/578163727.db2.gz RHVRYBSIGFFCOQ-UHFFFAOYSA-N -1 1 336.399 2.359 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)ccc1F ZINC000736156897 578184769 /nfs/dbraw/zinc/18/47/69/578184769.db2.gz FUFYXWJTRPEPDA-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)ccc1F ZINC000736156897 578184770 /nfs/dbraw/zinc/18/47/70/578184770.db2.gz FUFYXWJTRPEPDA-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736231974 578188859 /nfs/dbraw/zinc/18/88/59/578188859.db2.gz ZGYYHRTYDRYVAL-IBGZPJMESA-N -1 1 348.410 2.456 20 0 EEADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736231974 578188860 /nfs/dbraw/zinc/18/88/60/578188860.db2.gz ZGYYHRTYDRYVAL-IBGZPJMESA-N -1 1 348.410 2.456 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]2CCCC[C@@H]12 ZINC000736277276 578193122 /nfs/dbraw/zinc/19/31/22/578193122.db2.gz LYYHSYPEAIYLOV-ZLDLUXBVSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]2CCCC[C@@H]12 ZINC000736277276 578193123 /nfs/dbraw/zinc/19/31/23/578193123.db2.gz LYYHSYPEAIYLOV-ZLDLUXBVSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736304352 578194497 /nfs/dbraw/zinc/19/44/97/578194497.db2.gz UXYWNYAOGMBRHH-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736304352 578194498 /nfs/dbraw/zinc/19/44/98/578194498.db2.gz UXYWNYAOGMBRHH-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C)cs1 ZINC000736316342 578195294 /nfs/dbraw/zinc/19/52/94/578195294.db2.gz WFAQFECPZZWCKG-HNNXBMFYSA-N -1 1 343.416 2.082 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C)cs1 ZINC000736316342 578195295 /nfs/dbraw/zinc/19/52/95/578195295.db2.gz WFAQFECPZZWCKG-HNNXBMFYSA-N -1 1 343.416 2.082 20 0 EEADMM CC(C)(NCC(=O)N[C@H](c1cccs1)c1ccccc1)C(=O)[O-] ZINC000736339445 578197192 /nfs/dbraw/zinc/19/71/92/578197192.db2.gz PWGIBWPKDNRSBV-HNNXBMFYSA-N -1 1 332.425 2.407 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000736414363 578202073 /nfs/dbraw/zinc/20/20/73/578202073.db2.gz CJCAYYTVPCWINX-HNNXBMFYSA-N -1 1 339.411 2.186 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)C[C@H](C)C(=O)[O-] ZINC000736573905 578212563 /nfs/dbraw/zinc/21/25/63/578212563.db2.gz YVRHGNBNIYTYPA-VHSXEESVSA-N -1 1 330.331 2.268 20 0 EEADMM C[C@@H](NC(=O)CNC(C)(C)C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000736638867 578215831 /nfs/dbraw/zinc/21/58/31/578215831.db2.gz MLZZXOPFLLPGDC-SECBINFHSA-N -1 1 348.321 2.215 20 0 EEADMM CCc1nn(C/C=C\c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705293 578219244 /nfs/dbraw/zinc/21/92/44/578219244.db2.gz FFLKIJXCBVSOPD-FLIBITNWSA-N -1 1 336.399 2.262 20 0 EEADMM CC1(C)CCCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000736732862 578220886 /nfs/dbraw/zinc/22/08/86/578220886.db2.gz RZEPBNHZSVCVLV-INIZCTEOSA-N -1 1 330.428 2.147 20 0 EEADMM C[NH+](C)CC(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736762684 578222188 /nfs/dbraw/zinc/22/21/88/578222188.db2.gz JTTDCCSBRNQHNY-UHFFFAOYSA-N -1 1 338.371 2.159 20 0 EEADMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804885 578224728 /nfs/dbraw/zinc/22/47/28/578224728.db2.gz ZUDWLOHRGYWOKQ-UHFFFAOYSA-N -1 1 342.790 2.230 20 0 EEADMM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804885 578224729 /nfs/dbraw/zinc/22/47/29/578224729.db2.gz ZUDWLOHRGYWOKQ-UHFFFAOYSA-N -1 1 342.790 2.230 20 0 EEADMM CN(C(=O)CN1CC[C@H](c2ccco2)C1)c1ccccc1C(=O)[O-] ZINC000737324285 578250455 /nfs/dbraw/zinc/25/04/55/578250455.db2.gz NJUOOXRLYRPIHQ-ZDUSSCGKSA-N -1 1 328.368 2.430 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737423645 578256920 /nfs/dbraw/zinc/25/69/20/578256920.db2.gz VVJXAKBMKDLRAZ-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737423645 578256921 /nfs/dbraw/zinc/25/69/21/578256921.db2.gz VVJXAKBMKDLRAZ-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2nnc(C(C)C)o2)n1 ZINC000737472320 578259863 /nfs/dbraw/zinc/25/98/63/578259863.db2.gz ZFQQUQHNHCRQFC-UHFFFAOYSA-N -1 1 332.393 2.072 20 0 EEADMM Clc1ccc(N2CCC(c3cc[nH]n3)CC2)nc1-c1nnn[n-]1 ZINC000737576481 578265424 /nfs/dbraw/zinc/26/54/24/578265424.db2.gz RLGRULLYLJKNLM-UHFFFAOYSA-N -1 1 330.783 2.022 20 0 EEADMM Clc1ccc(N2CCC(c3cc[nH]n3)CC2)nc1-c1nn[n-]n1 ZINC000737576481 578265425 /nfs/dbraw/zinc/26/54/25/578265425.db2.gz RLGRULLYLJKNLM-UHFFFAOYSA-N -1 1 330.783 2.022 20 0 EEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738025168 578277026 /nfs/dbraw/zinc/27/70/26/578277026.db2.gz GLAGVXACLJMDNS-DOMZBBRYSA-N -1 1 332.400 2.209 20 0 EEADMM COc1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000043317972 599738230 /nfs/dbraw/zinc/73/82/30/599738230.db2.gz HDTUQAIIFPPLNG-UHFFFAOYSA-N -1 1 331.733 2.441 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000823791273 599088591 /nfs/dbraw/zinc/08/85/91/599088591.db2.gz AHUYNGGRTSLLQS-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000823791273 599088594 /nfs/dbraw/zinc/08/85/94/599088594.db2.gz AHUYNGGRTSLLQS-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM CC(C)C1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820039523 607271241 /nfs/dbraw/zinc/27/12/41/607271241.db2.gz ZCWVPFDWVKZVMN-UHFFFAOYSA-N -1 1 328.420 2.454 20 0 EEADMM CC(C)C1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820039523 607271242 /nfs/dbraw/zinc/27/12/42/607271242.db2.gz ZCWVPFDWVKZVMN-UHFFFAOYSA-N -1 1 328.420 2.454 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000818373979 597513624 /nfs/dbraw/zinc/51/36/24/597513624.db2.gz GCVNULCLGHDDMX-OCCSQVGLSA-N -1 1 339.823 2.059 20 0 EEADMM Cc1ccc([C@H]2CC(=O)N(CN3CCC[C@H](CC(=O)[O-])C3)C2)cc1 ZINC000821075578 597759241 /nfs/dbraw/zinc/75/92/41/597759241.db2.gz BKMPYINOGAWSKK-WBVHZDCISA-N -1 1 330.428 2.455 20 0 EEADMM C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000820251814 598178169 /nfs/dbraw/zinc/17/81/69/598178169.db2.gz KQRUVTTVIMYOHT-BETUJISGSA-N -1 1 335.404 2.006 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000820251814 598178170 /nfs/dbraw/zinc/17/81/70/598178170.db2.gz KQRUVTTVIMYOHT-BETUJISGSA-N -1 1 335.404 2.006 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCOC[C@H]1CCCO1 ZINC000823798375 599560509 /nfs/dbraw/zinc/56/05/09/599560509.db2.gz XBTLKYJBQHBZKX-GFCCVEGCSA-N -1 1 340.387 2.022 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCOC[C@H]1CCCO1 ZINC000823798375 599560511 /nfs/dbraw/zinc/56/05/11/599560511.db2.gz XBTLKYJBQHBZKX-GFCCVEGCSA-N -1 1 340.387 2.022 20 0 EEADMM CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000324041878 599778602 /nfs/dbraw/zinc/77/86/02/599778602.db2.gz RMDYZXUGGHJHKT-VBNZEHGJSA-N -1 1 329.400 2.352 20 0 EEADMM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000321333131 600530306 /nfs/dbraw/zinc/53/03/06/600530306.db2.gz UMBIKPMJJDPUKK-LLVKDONJSA-N -1 1 337.401 2.282 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000166564319 600637123 /nfs/dbraw/zinc/63/71/23/600637123.db2.gz UPCOAMMOQXJFDX-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000238041642 600696831 /nfs/dbraw/zinc/69/68/31/600696831.db2.gz DBLSRBQMTUWCCH-LBPRGKRZSA-N -1 1 331.397 2.109 20 0 EEADMM O=C([O-])CCSCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000833240067 600952330 /nfs/dbraw/zinc/95/23/30/600952330.db2.gz PGDKSIQQHGOQAJ-UHFFFAOYSA-N -1 1 345.424 2.185 20 0 EEADMM COC[C@H](C)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831643977 601001735 /nfs/dbraw/zinc/00/17/35/601001735.db2.gz UJYXSIAOTBFUHQ-WFASDCNBSA-N -1 1 326.824 2.118 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000831370827 601038987 /nfs/dbraw/zinc/03/89/87/601038987.db2.gz QMFMTMAOPITGGW-NSHDSACASA-N -1 1 348.399 2.230 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000827369235 601123192 /nfs/dbraw/zinc/12/31/92/601123192.db2.gz RMIARRJMHOQEAO-NSHDSACASA-N -1 1 325.796 2.353 20 0 EEADMM CCc1cc2c(C[NH2+][C@](C)(COC)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000830224927 601136223 /nfs/dbraw/zinc/13/62/23/601136223.db2.gz XZEBAHMGMJFYNI-SFHVURJKSA-N -1 1 349.383 2.030 20 0 EEADMM Cc1ccc(SCCNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832957517 601174935 /nfs/dbraw/zinc/17/49/35/601174935.db2.gz KYOWAFCOWONIJM-QGZVFWFLSA-N -1 1 336.457 2.046 20 0 EEADMM Cn1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000833046511 601311743 /nfs/dbraw/zinc/31/17/43/601311743.db2.gz XKGBUUAUXIVREO-HNNXBMFYSA-N -1 1 327.384 2.326 20 0 EEADMM CCCCC[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000829339142 601404668 /nfs/dbraw/zinc/40/46/68/601404668.db2.gz DMMGPBYRZMTLFG-NSHDSACASA-N -1 1 339.335 2.416 20 0 EEADMM CCC1CCC(NCC(=O)NCc2cccc(OC)c2)(C(=O)[O-])CC1 ZINC000829101844 601495706 /nfs/dbraw/zinc/49/57/06/601495706.db2.gz YGMAASJMSXLMNQ-UHFFFAOYSA-N -1 1 348.443 2.325 20 0 EEADMM COc1ccc(C)cc1C[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826190111 607529260 /nfs/dbraw/zinc/52/92/60/607529260.db2.gz PSZCBKMHJSTHTF-XMMPIXPASA-N -1 1 343.412 2.028 20 0 EEADMM COc1ccc(C)cc1C[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826190111 607529261 /nfs/dbraw/zinc/52/92/61/607529261.db2.gz PSZCBKMHJSTHTF-XMMPIXPASA-N -1 1 343.412 2.028 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820534834 601919992 /nfs/dbraw/zinc/91/99/92/601919992.db2.gz GLLALDSKLASUSP-KRWDZBQOSA-N -1 1 326.396 2.174 20 0 EEADMM COc1ccc([C@@H](NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)C2CC2)cc1 ZINC000832244325 602228703 /nfs/dbraw/zinc/22/87/03/602228703.db2.gz CMKBRAMZWSEKBR-DLBZAZTESA-N -1 1 348.443 2.351 20 0 EEADMM CC1CCN(CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000828284358 602362162 /nfs/dbraw/zinc/36/21/62/602362162.db2.gz DYGRBANOSWIVJT-UHFFFAOYSA-N -1 1 340.370 2.110 20 0 EEADMM CSCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000832766732 604360864 /nfs/dbraw/zinc/36/08/64/604360864.db2.gz KBAZXLLKCYGDCN-CQSZACIVSA-N -1 1 328.865 2.446 20 0 EEADMM Cc1cnc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000833753852 604618411 /nfs/dbraw/zinc/61/84/11/604618411.db2.gz HARDRXFYOHZAJN-SFHVURJKSA-N -1 1 329.400 2.192 20 0 EEADMM COc1cc(OC)cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000832095547 604634002 /nfs/dbraw/zinc/63/40/02/604634002.db2.gz BUMIBZCHWNORMS-UHFFFAOYSA-N -1 1 343.382 2.264 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000833058576 604645318 /nfs/dbraw/zinc/64/53/18/604645318.db2.gz MZCKPKRIJSUVOQ-UHFFFAOYSA-N -1 1 339.355 2.080 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2C(C)(C)C1 ZINC000833404945 604776751 /nfs/dbraw/zinc/77/67/51/604776751.db2.gz WOCNOAIFLPDSTJ-AWEZNQCLSA-N -1 1 344.455 2.492 20 0 EEADMM CCc1cc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n[nH]1 ZINC000830213830 604785232 /nfs/dbraw/zinc/78/52/32/604785232.db2.gz JHIVCYBUCPPHPC-UHFFFAOYSA-N -1 1 342.399 2.387 20 0 EEADMM C[C@@]1(NS(=O)(=O)c2c(F)cccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570379 604809015 /nfs/dbraw/zinc/80/90/15/604809015.db2.gz SEIAIPSYDNPXRY-LKFCYVNXSA-N -1 1 333.356 2.277 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)n[nH]1 ZINC000833672907 605019964 /nfs/dbraw/zinc/01/99/64/605019964.db2.gz FZVSYEUMWUNNKQ-JTQLQIEISA-N -1 1 331.376 2.267 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833603016 605105997 /nfs/dbraw/zinc/10/59/97/605105997.db2.gz DELIOXNNQXCTFS-FMKPAKJESA-N -1 1 348.443 2.343 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(F)c1Cl ZINC000833626726 605109202 /nfs/dbraw/zinc/10/92/02/605109202.db2.gz RUJPANWJFCCPMY-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1 ZINC000833381077 605110786 /nfs/dbraw/zinc/11/07/86/605110786.db2.gz ALPMHZPCJNMHKZ-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)COc1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833490607 605114388 /nfs/dbraw/zinc/11/43/88/605114388.db2.gz KEXYOKKKXHVPHY-HNNXBMFYSA-N -1 1 348.443 2.342 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@@H]1C ZINC000833658333 605123841 /nfs/dbraw/zinc/12/38/41/605123841.db2.gz RCZVJNDXAKGZLE-KBPBESRZSA-N -1 1 348.447 2.443 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1C2CC3CC(C2)CC1C3 ZINC000833626243 605159833 /nfs/dbraw/zinc/15/98/33/605159833.db2.gz YZOWTQMZQRMDNA-XKMJEZSVSA-N -1 1 334.460 2.066 20 0 EEADMM CC(C)COc1ccccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833490809 605163705 /nfs/dbraw/zinc/16/37/05/605163705.db2.gz WARKUSZSWLRAEV-HNNXBMFYSA-N -1 1 348.443 2.342 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CCCc2ccccc21 ZINC000833623146 605168275 /nfs/dbraw/zinc/16/82/75/605168275.db2.gz QUVKWJLONUYNLO-MGPUTAFESA-N -1 1 344.455 2.288 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1CCC(=O)[O-] ZINC000833619284 605255770 /nfs/dbraw/zinc/25/57/70/605255770.db2.gz BYWIQXKGZOFITF-LLVKDONJSA-N -1 1 344.333 2.326 20 0 EEADMM CCc1cnccc1[C@@H](C)NCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000833673426 605271046 /nfs/dbraw/zinc/27/10/46/605271046.db2.gz KVBLMKJRVOXRBL-CYBMUJFWSA-N -1 1 333.432 2.198 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)C2)c1 ZINC000833752441 605348398 /nfs/dbraw/zinc/34/83/98/605348398.db2.gz JWPMUJJJFLKAHE-IAGOWNOFSA-N -1 1 342.439 2.455 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826177912 607762068 /nfs/dbraw/zinc/76/20/68/607762068.db2.gz ARCVHPUKWXQHNL-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826177912 607762069 /nfs/dbraw/zinc/76/20/69/607762069.db2.gz ARCVHPUKWXQHNL-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM CCCN(CC1CCCCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821094799 606162630 /nfs/dbraw/zinc/16/26/30/606162630.db2.gz QWYBNRMFYCTLCI-UHFFFAOYSA-N -1 1 346.439 2.424 20 0 EEADMM CCCN(CC1CCCCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821094799 606162631 /nfs/dbraw/zinc/16/26/31/606162631.db2.gz QWYBNRMFYCTLCI-UHFFFAOYSA-N -1 1 346.439 2.424 20 0 EEADMM CS(=O)(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821927437 606420307 /nfs/dbraw/zinc/42/03/07/606420307.db2.gz WZVFPPMZKSDXJE-UHFFFAOYSA-N -1 1 349.441 2.085 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H]2C)c1-c1nn[n-]n1 ZINC000821989447 606436923 /nfs/dbraw/zinc/43/69/23/606436923.db2.gz LJPYJARVHPONLJ-SECBINFHSA-N -1 1 344.444 2.486 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1nnc2ccccn21 ZINC000820456907 606444796 /nfs/dbraw/zinc/44/47/96/606444796.db2.gz WYYSOSFXZUYKGF-MRVPVSSYSA-N -1 1 341.766 2.131 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1nnc2ccccn21 ZINC000820456907 606444798 /nfs/dbraw/zinc/44/47/98/606444798.db2.gz WYYSOSFXZUYKGF-MRVPVSSYSA-N -1 1 341.766 2.131 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2cn[nH]c2)nc1-c1nnn[n-]1 ZINC000822578579 606481051 /nfs/dbraw/zinc/48/10/51/606481051.db2.gz KXJRAOQFEBMNFV-LLVKDONJSA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2cn[nH]c2)nc1-c1nn[n-]n1 ZINC000822578579 606481053 /nfs/dbraw/zinc/48/10/53/606481053.db2.gz KXJRAOQFEBMNFV-LLVKDONJSA-N -1 1 330.783 2.370 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821777636 606503328 /nfs/dbraw/zinc/50/33/28/606503328.db2.gz KBOWQOIEJRATTB-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821777636 606503329 /nfs/dbraw/zinc/50/33/29/606503329.db2.gz KBOWQOIEJRATTB-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COCCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821694001 606533322 /nfs/dbraw/zinc/53/33/22/606533322.db2.gz YVXAZZTYSVUPBX-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COCCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821694001 606533323 /nfs/dbraw/zinc/53/33/23/606533323.db2.gz YVXAZZTYSVUPBX-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823182580 606565792 /nfs/dbraw/zinc/56/57/92/606565792.db2.gz MSMGWGCMWWTTBT-NSHDSACASA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823182580 606565794 /nfs/dbraw/zinc/56/57/94/606565794.db2.gz MSMGWGCMWWTTBT-NSHDSACASA-N -1 1 339.424 2.463 20 0 EEADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823379999 606595723 /nfs/dbraw/zinc/59/57/23/606595723.db2.gz NQNVTEMYOLMFNH-UHFFFAOYSA-N -1 1 346.397 2.156 20 0 EEADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823379999 606595724 /nfs/dbraw/zinc/59/57/24/606595724.db2.gz NQNVTEMYOLMFNH-UHFFFAOYSA-N -1 1 346.397 2.156 20 0 EEADMM O=C(NC[C@H](O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823166953 606599254 /nfs/dbraw/zinc/59/92/54/606599254.db2.gz UYNRAWOLNSRVFV-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@H](O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823166953 606599255 /nfs/dbraw/zinc/59/92/55/606599255.db2.gz UYNRAWOLNSRVFV-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822327241 606648749 /nfs/dbraw/zinc/64/87/49/606648749.db2.gz DQQANRCHMZAITC-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1cccc(O[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822327241 606648750 /nfs/dbraw/zinc/64/87/50/606648750.db2.gz DQQANRCHMZAITC-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)c1ccccc1 ZINC000823431855 606652920 /nfs/dbraw/zinc/65/29/20/606652920.db2.gz ZWKAHFALVLPAHB-UHFFFAOYSA-N -1 1 331.282 2.097 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)c1ccccc1 ZINC000823431855 606652921 /nfs/dbraw/zinc/65/29/21/606652921.db2.gz ZWKAHFALVLPAHB-UHFFFAOYSA-N -1 1 331.282 2.097 20 0 EEADMM Cc1ccc(C)c(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000822231617 607038500 /nfs/dbraw/zinc/03/85/00/607038500.db2.gz AIVJBEVKFFFKDU-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(C)c(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822231617 607038502 /nfs/dbraw/zinc/03/85/02/607038502.db2.gz AIVJBEVKFFFKDU-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826281129 607989997 /nfs/dbraw/zinc/98/99/97/607989997.db2.gz GEFXFILZTJZKJH-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM Cc1ccc(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826281129 607989998 /nfs/dbraw/zinc/98/99/98/607989998.db2.gz GEFXFILZTJZKJH-UHFFFAOYSA-N -1 1 349.398 2.064 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826402789 608075749 /nfs/dbraw/zinc/07/57/49/608075749.db2.gz BSFHXMMCYVVIBX-DAFODLJHSA-N -1 1 342.746 2.273 20 0 EEADMM COc1ccc([C@@H](OC)[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826189660 608239006 /nfs/dbraw/zinc/23/90/06/608239006.db2.gz AVUFKKMFVVNKKA-BZNIZROVSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc([C@@H](OC)[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826189660 608239008 /nfs/dbraw/zinc/23/90/08/608239008.db2.gz AVUFKKMFVVNKKA-BZNIZROVSA-N -1 1 340.387 2.458 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCOCC2)cc1 ZINC000826520284 608421242 /nfs/dbraw/zinc/42/12/42/608421242.db2.gz FEDGIRYMNZUAFS-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCOCC2)cc1 ZINC000826520284 608421244 /nfs/dbraw/zinc/42/12/44/608421244.db2.gz FEDGIRYMNZUAFS-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM COc1ccc([C@H](C)CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826188193 608422901 /nfs/dbraw/zinc/42/29/01/608422901.db2.gz PYISIADXWXASSO-LLVKDONJSA-N -1 1 325.376 2.271 20 0 EEADMM COc1ccc([C@H](C)CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826188193 608422903 /nfs/dbraw/zinc/42/29/03/608422903.db2.gz PYISIADXWXASSO-LLVKDONJSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000824824652 608427930 /nfs/dbraw/zinc/42/79/30/608427930.db2.gz WMWYRZREXONROZ-IBGZPJMESA-N -1 1 348.410 2.286 20 0 EEADMM C[C@@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000824824652 608427931 /nfs/dbraw/zinc/42/79/31/608427931.db2.gz WMWYRZREXONROZ-IBGZPJMESA-N -1 1 348.410 2.286 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824465415 608433914 /nfs/dbraw/zinc/43/39/14/608433914.db2.gz OOLDNIRCLZZXBK-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824465415 608433915 /nfs/dbraw/zinc/43/39/15/608433915.db2.gz OOLDNIRCLZZXBK-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM Fc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)c(F)c1 ZINC000826373936 608439429 /nfs/dbraw/zinc/43/94/29/608439429.db2.gz GDXVTVIVMSBTAG-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)c(F)c1 ZINC000826373936 608439431 /nfs/dbraw/zinc/43/94/31/608439431.db2.gz GDXVTVIVMSBTAG-UHFFFAOYSA-N -1 1 329.314 2.079 20 0 EEADMM COc1cc(F)cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826179751 608764559 /nfs/dbraw/zinc/76/45/59/608764559.db2.gz CLSKFASYIKZKAF-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cc(F)cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826179751 608764560 /nfs/dbraw/zinc/76/45/60/608764560.db2.gz CLSKFASYIKZKAF-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCCC1 ZINC000826458076 609289435 /nfs/dbraw/zinc/28/94/35/609289435.db2.gz BLDHBRABNMBBEJ-UHFFFAOYSA-N -1 1 341.350 2.320 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020784043 675494231 /nfs/dbraw/zinc/49/42/31/675494231.db2.gz KYHCATZZAISOFL-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1c(C)nc2ccccn21 ZINC000890853183 675681668 /nfs/dbraw/zinc/68/16/68/675681668.db2.gz IPQPGAYUNMSYMI-UHFFFAOYSA-N -1 1 343.412 2.099 20 0 EEADMM Cc1cccn2cc(CC(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)nc12 ZINC000891622788 676731498 /nfs/dbraw/zinc/73/14/98/676731498.db2.gz FPTOWMKQYXZFGL-UHFFFAOYSA-N -1 1 337.383 2.198 20 0 EEADMM Cc1cnc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)s1 ZINC000947231780 678559299 /nfs/dbraw/zinc/55/92/99/678559299.db2.gz OILIRGHVLNYWSB-WCQYABFASA-N -1 1 346.456 2.335 20 0 EEADMM Cc1cc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])sn1 ZINC001024406721 679891469 /nfs/dbraw/zinc/89/14/69/679891469.db2.gz DEOFRINIYMNGGG-ZDUSSCGKSA-N -1 1 346.456 2.337 20 0 EEADMM CC1(C)CO[C@@H](C[N@H+]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])C1 ZINC001024406893 679891662 /nfs/dbraw/zinc/89/16/62/679891662.db2.gz HNELKGHSJXVQTP-LSDHHAIUSA-N -1 1 347.459 2.187 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(C)=C1CCC1 ZINC000984801413 685277418 /nfs/dbraw/zinc/27/74/18/685277418.db2.gz PEXCKBPHQRRJHA-LSDHHAIUSA-N -1 1 343.427 2.397 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001024937906 681613671 /nfs/dbraw/zinc/61/36/71/681613671.db2.gz FLFZTASICJDXOM-OAHLLOKOSA-N -1 1 344.390 2.106 20 0 EEADMM CC(C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000982625265 681837547 /nfs/dbraw/zinc/83/75/47/681837547.db2.gz HVMBOJSLJDMOJX-CQSZACIVSA-N -1 1 343.427 2.256 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)N(C)C)c1 ZINC000327578271 681932131 /nfs/dbraw/zinc/93/21/31/681932131.db2.gz FVPLNNWCZJTIQM-UXLLHSPISA-N -1 1 348.443 2.305 20 0 EEADMM O=C(C=C1CCC1)N1[C@@H]2CC[C@H]1CC(NC(=O)c1ncccc1[O-])C2 ZINC000973598500 682810801 /nfs/dbraw/zinc/81/08/01/682810801.db2.gz FWBXSUBTVLYHGZ-GOOCMWNKSA-N -1 1 341.411 2.149 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000983576507 682885109 /nfs/dbraw/zinc/88/51/09/682885109.db2.gz ZKQMKWSFFFFWIL-STQMWFEESA-N -1 1 331.416 2.135 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)C1)c1ncccc1[O-] ZINC000983585799 682902262 /nfs/dbraw/zinc/90/22/62/682902262.db2.gz PGNUXEAZBZTCSQ-UONOGXRCSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983738705 683225915 /nfs/dbraw/zinc/22/59/15/683225915.db2.gz ZBNDROZOBGIBLV-RDBSUJKOSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@@H]3CCCS3)n[nH]2)c1 ZINC000152824157 683543543 /nfs/dbraw/zinc/54/35/43/683543543.db2.gz KRFVQBRPAOKYKE-HNNXBMFYSA-N -1 1 344.440 2.350 20 0 EEADMM COC(=O)[C@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000895087549 683826871 /nfs/dbraw/zinc/82/68/71/683826871.db2.gz VNKFJHMUFZAYFT-CQSZACIVSA-N -1 1 331.393 2.276 20 0 EEADMM C[N@@H+](CCNC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1 ZINC000395685104 684043130 /nfs/dbraw/zinc/04/31/30/684043130.db2.gz PYSVDCWDPGKYSB-UHFFFAOYSA-N -1 1 333.432 2.205 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2c(Cl)nc3ccccn32)n[nH]1 ZINC000180924243 684077488 /nfs/dbraw/zinc/07/74/88/684077488.db2.gz LFDFLFOTNBTGEK-UHFFFAOYSA-N -1 1 333.735 2.140 20 0 EEADMM CCc1ccsc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057022 684270139 /nfs/dbraw/zinc/27/01/39/684270139.db2.gz VFRMXNIQMBDCGZ-TXEJJXNPSA-N -1 1 345.424 2.102 20 0 EEADMM COCc1nc(N2CCC[C@@]3(C2)OCc2ccccc23)cc(=O)[n-]1 ZINC000893255526 684315181 /nfs/dbraw/zinc/31/51/81/684315181.db2.gz JYRTVLAOZRAGJP-SFHVURJKSA-N -1 1 327.384 2.355 20 0 EEADMM Cc1nc(-c2ccc(N3CC[C@H](C4OCCO4)C3)nc2)[n-]c(=O)c1C ZINC000895521413 684628863 /nfs/dbraw/zinc/62/88/63/684628863.db2.gz NUOZFWNUTJPVBI-AWEZNQCLSA-N -1 1 342.399 2.060 20 0 EEADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nnnn1C1CC1 ZINC000190360007 684687209 /nfs/dbraw/zinc/68/72/09/684687209.db2.gz NBZQEGJEXAEYAF-SSDOTTSWSA-N -1 1 341.293 2.223 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1 ZINC000194248394 684924995 /nfs/dbraw/zinc/92/49/95/684924995.db2.gz QWBQKTWLJLFIEX-UHFFFAOYSA-N -1 1 348.424 2.336 20 0 EEADMM Cc1cnc(CS(=O)(=O)c2nc(-c3ccccc3F)n[n-]2)s1 ZINC000195130879 684994645 /nfs/dbraw/zinc/99/46/45/684994645.db2.gz WWZXBIMLFJBCJN-UHFFFAOYSA-N -1 1 338.389 2.350 20 0 EEADMM Cc1cnc(CS(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)s1 ZINC000195130879 684994647 /nfs/dbraw/zinc/99/46/47/684994647.db2.gz WWZXBIMLFJBCJN-UHFFFAOYSA-N -1 1 338.389 2.350 20 0 EEADMM Cc1nc(-c2ccc(NCCO[C@H]3CCOC3)nc2)[n-]c(=O)c1C ZINC000896481173 685000090 /nfs/dbraw/zinc/00/00/90/685000090.db2.gz YJUOAMDTVGQKTL-AWEZNQCLSA-N -1 1 330.388 2.078 20 0 EEADMM CC(C)CCC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515353 686270869 /nfs/dbraw/zinc/27/08/69/686270869.db2.gz XMNIKNYONZSMDT-AWEZNQCLSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(=O)N1CCC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001027259373 686996155 /nfs/dbraw/zinc/99/61/55/686996155.db2.gz KHAULBCOIADMDP-NSHDSACASA-N -1 1 334.445 2.230 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001029756751 687015559 /nfs/dbraw/zinc/01/55/59/687015559.db2.gz DXGALZCGOFNNNN-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001029780721 687085764 /nfs/dbraw/zinc/08/57/64/687085764.db2.gz CMQBXCOBRKRIMJ-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM CC(C)C(=O)N1CCC[C@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001027304919 687328484 /nfs/dbraw/zinc/32/84/84/687328484.db2.gz CXVZUCULIXOHET-LBPRGKRZSA-N -1 1 348.472 2.476 20 0 EEADMM CC[C@]1(C(C)C)C[C@@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985726600 687567580 /nfs/dbraw/zinc/56/75/80/687567580.db2.gz JJYQMOHVSUPLNY-RDTXWAMCSA-N -1 1 349.479 2.005 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CCC(N(C)Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000985799336 687721633 /nfs/dbraw/zinc/72/16/33/687721633.db2.gz GJAVVGSTFDIZOF-GOSISDBHSA-N -1 1 347.463 2.070 20 0 EEADMM O=C(NC1CN(C(=O)c2ccc3ccccc3c2)C1)c1ncccc1[O-] ZINC000990972515 694136260 /nfs/dbraw/zinc/13/62/60/694136260.db2.gz RJOOPUPXVBLPEU-UHFFFAOYSA-N -1 1 347.374 2.195 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)[C@H]1CCC1(C)C ZINC000987930079 690177477 /nfs/dbraw/zinc/17/74/77/690177477.db2.gz LLTKJEBMSUKOAG-UONOGXRCSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)c1ccoc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937864827 691033263 /nfs/dbraw/zinc/03/32/63/691033263.db2.gz YXGWKNJAVWLSFF-LBPRGKRZSA-N -1 1 343.383 2.148 20 0 EEADMM CCc1ccsc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938090479 691300034 /nfs/dbraw/zinc/30/00/34/691300034.db2.gz BDFGLCOXWKTRNQ-LBPRGKRZSA-N -1 1 345.424 2.056 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@@]2(CCOC2)O1 ZINC000897627888 691705982 /nfs/dbraw/zinc/70/59/82/691705982.db2.gz WZZCBQIGTHRVEO-HXPMCKFVSA-N -1 1 343.379 2.271 20 0 EEADMM COCc1nc(NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc(=O)[n-]1 ZINC000893487662 692361156 /nfs/dbraw/zinc/36/11/56/692361156.db2.gz KQIWYLXLCNWMJM-SUMWQHHRSA-N -1 1 333.363 2.046 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)C1CCCCCC1)C(=O)c1ncccc1[O-] ZINC000977605773 692815792 /nfs/dbraw/zinc/81/57/92/692815792.db2.gz CAYCRYHXKHYYBR-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977616933 692831593 /nfs/dbraw/zinc/83/15/93/692831593.db2.gz JUMXJWULSBJJFC-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1=CCCCCC1 ZINC000977624488 692860189 /nfs/dbraw/zinc/86/01/89/692860189.db2.gz CDJOQFPADMLEIP-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CC1(C(=O)N2CCCC[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000943204859 1192114456 /nfs/dbraw/zinc/11/44/56/1192114456.db2.gz YWHUOUVUESEDOQ-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000943361359 1192222146 /nfs/dbraw/zinc/22/21/46/1192222146.db2.gz DEWLPUGSZUBFGD-RDTXWAMCSA-N -1 1 345.447 2.052 20 0 EEADMM CCOCCO[N-]C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000184782650 1192239208 /nfs/dbraw/zinc/23/92/08/1192239208.db2.gz BLAQCISRMIENGE-OAHLLOKOSA-N -1 1 342.395 2.277 20 0 EEADMM O=C(CC1CCCCC1)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000943845622 1192613220 /nfs/dbraw/zinc/61/32/20/1192613220.db2.gz DQDYQHXSRMPJIZ-OAHLLOKOSA-N -1 1 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/nfs/dbraw/zinc/73/38/69/1209733869.db2.gz OQHQUTQELJHOPI-SHYRYGCCSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cscc1C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000950538904 1210266350 /nfs/dbraw/zinc/26/63/50/1210266350.db2.gz CIISQZFAAZYGHC-LBPRGKRZSA-N -1 1 345.424 2.192 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC12CCCC2 ZINC000950543141 1210267955 /nfs/dbraw/zinc/26/79/55/1210267955.db2.gz RPPIGWSXORGBOP-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM CC(Nc1cccc(F)c1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192696785 1210584447 /nfs/dbraw/zinc/58/44/47/1210584447.db2.gz MWJSBDSHVNPBGU-JLHYYAGUSA-N -1 1 335.404 2.411 20 0 EEADMM CCCn1ccc2cc(NC(=O)Cc3sc(N)nc3[O-])ccc21 ZINC000079845219 1210728603 /nfs/dbraw/zinc/72/86/03/1210728603.db2.gz UZGJAUJOFBGNPT-CYBMUJFWSA-N -1 1 330.413 2.337 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000952529176 1211471438 /nfs/dbraw/zinc/47/14/38/1211471438.db2.gz LQWXOQXIOTYLGR-KGLIPLIRSA-N -1 1 345.443 2.429 20 0 EEADMM CC(C)CC(=O)N1CCC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000952902875 1211614220 /nfs/dbraw/zinc/61/42/20/1211614220.db2.gz MKYLGDCOAGSNPI-IBGZPJMESA-N -1 1 345.443 2.288 20 0 EEADMM CCC1(C(=O)N2CC[C@@]3(CCN(C(=O)c4ncccc4[O-])C3)C2)CC1 ZINC000953154455 1211684275 /nfs/dbraw/zinc/68/42/75/1211684275.db2.gz PROFICMBOOMMHT-GOSISDBHSA-N -1 1 343.427 2.042 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC000953333405 1211765980 /nfs/dbraw/zinc/76/59/80/1211765980.db2.gz XMWQKVWASMICIE-DZGCQCFKSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC000953581557 1211896950 /nfs/dbraw/zinc/89/69/50/1211896950.db2.gz WBQYPLLOAOSFGU-BPKFXHHPSA-N -1 1 343.427 2.253 20 0 EEADMM CN(C(=O)C1CCCCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000953714352 1211985284 /nfs/dbraw/zinc/98/52/84/1211985284.db2.gz MIJWYRIBSGQFEU-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954408691 1212219404 /nfs/dbraw/zinc/21/94/04/1212219404.db2.gz FUCNLRRWPLXIDO-GXTWGEPZSA-N -1 1 345.443 2.142 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cn1 ZINC000795318792 1212511941 /nfs/dbraw/zinc/51/19/41/1212511941.db2.gz NNIROENFQOUENR-UHFFFAOYSA-N -1 1 348.359 2.216 20 0 EEADMM Cc1cc(C)cc(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)c1 ZINC000955286532 1212977608 /nfs/dbraw/zinc/97/76/08/1212977608.db2.gz ZCMGNNZRERNTEO-UHFFFAOYSA-N -1 1 339.395 2.001 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956347975 1213736170 /nfs/dbraw/zinc/73/61/70/1213736170.db2.gz SYNZLUFVIONKKQ-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2ccn(-c3cccc(F)c3)n2)[n-]1 ZINC000796347635 1213857496 /nfs/dbraw/zinc/85/74/96/1213857496.db2.gz TWPUGNVYSMXZSU-UHFFFAOYSA-N -1 1 343.314 2.483 20 0 EEADMM Cc1cc(C(=O)N[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)oc1C ZINC000956824012 1214487385 /nfs/dbraw/zinc/48/73/85/1214487385.db2.gz AZEYGJMERPKCAC-GOSISDBHSA-N -1 1 343.383 2.032 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248386720 1214756951 /nfs/dbraw/zinc/75/69/51/1214756951.db2.gz NPJNJEZVBVYMNT-SGIREYDYSA-N -1 1 342.443 2.219 20 0 EEADMM CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[n-][nH]c1=O ZINC001412860521 1215887475 /nfs/dbraw/zinc/88/74/75/1215887475.db2.gz VCZKERIBKKYKFK-NXEZZACHSA-N -1 1 326.397 2.383 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC000960229197 1216438490 /nfs/dbraw/zinc/43/84/90/1216438490.db2.gz VFOYFBCHDGBVCF-UONOGXRCSA-N -1 1 349.479 2.197 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962946525 1217301134 /nfs/dbraw/zinc/30/11/34/1217301134.db2.gz PNUDDBOLECPBFD-RDBSUJKOSA-N -1 1 343.427 2.039 20 0 EEADMM CC(C)[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000963730005 1218000862 /nfs/dbraw/zinc/00/08/62/1218000862.db2.gz CNPSPOJCLQFFMQ-SOUVJXGZSA-N -1 1 345.443 2.142 20 0 EEADMM CC1(C)C[C@H]1C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000963962437 1218156074 /nfs/dbraw/zinc/15/60/74/1218156074.db2.gz SDUVAXHBDCTGMV-IHRRRGAJSA-N -1 1 345.443 2.238 20 0 EEADMM CCC1(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)CCC1 ZINC000964849528 1218673047 /nfs/dbraw/zinc/67/30/47/1218673047.db2.gz NUHLIPLBRPWXOB-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC000965002644 1218796135 /nfs/dbraw/zinc/79/61/35/1218796135.db2.gz VGFHASGHJYUNKV-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC000965056904 1218861826 /nfs/dbraw/zinc/86/18/26/1218861826.db2.gz NFLVGJHDFAJUMK-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1CCCCCC1 ZINC000966351927 1219696408 /nfs/dbraw/zinc/69/64/08/1219696408.db2.gz SYSFISVPAATMFL-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CCCNc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001114906413 1221008338 /nfs/dbraw/zinc/00/83/38/1221008338.db2.gz DBBICHJKFGQBDD-SNVBAGLBSA-N -1 1 335.795 2.241 20 0 EEADMM CCc1nsc(NCCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001114911383 1221240389 /nfs/dbraw/zinc/24/03/89/1221240389.db2.gz HDKMYSPNCDOXDE-JTQLQIEISA-N -1 1 335.433 2.212 20 0 EEADMM O=C(N[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1)c1ccccc1O ZINC001006784292 1221941856 /nfs/dbraw/zinc/94/18/56/1221941856.db2.gz ZPAHQCFKYQWFIN-CQSZACIVSA-N -1 1 348.834 2.137 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001010629365 1223820908 /nfs/dbraw/zinc/82/09/08/1223820908.db2.gz MNXJBJASPXSBAJ-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(N[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2)C1CC=CC1 ZINC001014222369 1226367944 /nfs/dbraw/zinc/36/79/44/1226367944.db2.gz ZYVSGKKPBAVXGA-BEFAXECRSA-N -1 1 341.411 2.007 20 0 EEADMM O=C(C=C1CCC1)N[C@@]12CCC[C@@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001014236918 1226392094 /nfs/dbraw/zinc/39/20/94/1226392094.db2.gz VUDDNWNHCWKATL-HNAYVOBHSA-N -1 1 341.411 2.151 20 0 EEADMM CCCc1nsc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001067077218 1226557829 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2.087 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1ccc(Cl)cc1)c1ncccc1[O-] ZINC001038193746 1229684563 /nfs/dbraw/zinc/68/45/63/1229684563.db2.gz LAKDMGGCRFDRFE-AWEZNQCLSA-N -1 1 331.803 2.445 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(CC(F)(F)C(F)F)CC1 ZINC001045414860 1233730542 /nfs/dbraw/zinc/73/05/42/1233730542.db2.gz IPQOWHYGDLVVGT-UHFFFAOYSA-N -1 1 349.328 2.272 20 0 EEADMM O=C(COC(=O)[C@@H]1CCCC(F)(F)C1)[N-]C(=O)c1ccccc1 ZINC000800284307 1234010649 /nfs/dbraw/zinc/01/06/49/1234010649.db2.gz CNQFZDXTKHEQLD-GFCCVEGCSA-N -1 1 325.311 2.312 20 0 EEADMM COCCOc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900190479 1234077329 /nfs/dbraw/zinc/07/73/29/1234077329.db2.gz GMVDIGBXEAVSJB-UHFFFAOYSA-N -1 1 329.356 2.337 20 0 EEADMM CN1C(=O)CCc2cc(NC(=O)c3cnc(C4CC4)[n-]c3=O)ccc21 ZINC000900578756 1234511229 /nfs/dbraw/zinc/51/12/29/1234511229.db2.gz HSRJGVGIXCAWLO-UHFFFAOYSA-N -1 1 338.367 2.221 20 0 EEADMM CC(C)C1(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001413177216 1234513300 /nfs/dbraw/zinc/51/33/00/1234513300.db2.gz RAIZCMGLBMNNJG-KGLIPLIRSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1CN(C(=O)CCC2CCCCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054914891 1249369588 /nfs/dbraw/zinc/36/95/88/1249369588.db2.gz TUKIDFNDZLXSPR-UKRRQHHQSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(Cc2cccc(F)c2F)C1 ZINC001046261564 1234605842 /nfs/dbraw/zinc/60/58/42/1234605842.db2.gz FHNJVQZFSXJXLY-GOSISDBHSA-N -1 1 347.365 2.460 20 0 EEADMM CC(C)c1cc(N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)ncn1 ZINC001046333841 1234677357 /nfs/dbraw/zinc/67/73/57/1234677357.db2.gz NIOSKDXIDSNRLB-BETUJISGSA-N -1 1 341.415 2.321 20 0 EEADMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900843043 1234896379 /nfs/dbraw/zinc/89/63/79/1234896379.db2.gz VUAIRKTYZBHDIC-AWEZNQCLSA-N -1 1 341.367 2.322 20 0 EEADMM O=C(c1ccccc1-c1ccncc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000901174775 1235318800 /nfs/dbraw/zinc/31/88/00/1235318800.db2.gz IDGHRCJNUUBYCI-AWEZNQCLSA-N -1 1 334.383 2.282 20 0 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COc1cccc(S(=O)(=O)[N-]c2cccc(C3=NCCO3)c2)c1 ZINC001259190413 1319475924 /nfs/dbraw/zinc/47/59/24/1319475924.db2.gz HNWVMBKDJIHCPJ-UHFFFAOYSA-N -1 1 332.381 2.273 20 0 EEADMM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1cc(F)cc(F)c1 ZINC001259311071 1319521984 /nfs/dbraw/zinc/52/19/84/1319521984.db2.gz GKHNQIULRUIANP-UHFFFAOYSA-N -1 1 336.323 2.346 20 0 EEADMM Cc1c(CO)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259344828 1319530604 /nfs/dbraw/zinc/53/06/04/1319530604.db2.gz WHWBESDMDPCUEL-UHFFFAOYSA-N -1 1 335.381 2.059 20 0 EEADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC001259350829 1319534358 /nfs/dbraw/zinc/53/43/58/1319534358.db2.gz JMZFKMAIFGMPQQ-UHFFFAOYSA-N -1 1 340.788 2.479 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccc(O)cc1)c1cc(Cl)ccc1F ZINC001259460153 1319581053 /nfs/dbraw/zinc/58/10/53/1319581053.db2.gz NQQGTUUSOUQQGN-ZDUSSCGKSA-N -1 1 345.779 2.197 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(C)C ZINC001259459952 1319581705 /nfs/dbraw/zinc/58/17/05/1319581705.db2.gz 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ZINC001260663192 1319937220 /nfs/dbraw/zinc/93/72/20/1319937220.db2.gz RKBDHMLUEAELSN-UHFFFAOYSA-N -1 1 335.356 2.303 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc3ncncc3c2)c1 ZINC001260811774 1319982718 /nfs/dbraw/zinc/98/27/18/1319982718.db2.gz HGFBWAYWCNZMPK-UHFFFAOYSA-N -1 1 342.380 2.389 20 0 EEADMM O=C(CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC001260838372 1319988674 /nfs/dbraw/zinc/98/86/74/1319988674.db2.gz IZBNHSGQDKZDJL-UHFFFAOYSA-N -1 1 339.800 2.348 20 0 EEADMM O=C(NCCC1=CCN(Cc2cscn2)CC1)c1ncccc1[O-] ZINC001159922512 1320022301 /nfs/dbraw/zinc/02/23/01/1320022301.db2.gz MHADJWJIHADPKL-UHFFFAOYSA-N -1 1 344.440 2.196 20 0 EEADMM Cc1ccc2c(c1)nc(Cl)cc2Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001160854867 1320292587 /nfs/dbraw/zinc/29/25/87/1320292587.db2.gz ZKPUIKZYBIPITO-NSHDSACASA-N -1 1 334.788 2.144 20 0 EEADMM O=C(CCn1cccn1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001161198098 1320417499 /nfs/dbraw/zinc/41/74/99/1320417499.db2.gz NDCCOTJYKYGRNR-UHFFFAOYSA-N -1 1 332.751 2.056 20 0 EEADMM O=C(CCn1cccn1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001161198098 1320417503 /nfs/dbraw/zinc/41/75/03/1320417503.db2.gz NDCCOTJYKYGRNR-UHFFFAOYSA-N -1 1 332.751 2.056 20 0 EEADMM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1nc[nH]n1 ZINC001161901500 1320668425 /nfs/dbraw/zinc/66/84/25/1320668425.db2.gz QEQLPDFREBPXEJ-UHFFFAOYSA-N -1 1 336.764 2.141 20 0 EEADMM O=S(=O)([N-]c1cnccc1F)c1ccc(Cl)c2nonc21 ZINC001261067210 1322009085 /nfs/dbraw/zinc/00/90/85/1322009085.db2.gz LIJAOJNBWOURLY-UHFFFAOYSA-N -1 1 328.712 2.211 20 0 EEADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cnc(Cl)n1[C@@H]1CCCCO1 ZINC001205023057 1322266477 /nfs/dbraw/zinc/26/64/77/1322266477.db2.gz WGOJJPDULZDMJZ-ZETCQYMHSA-N -1 1 342.812 2.346 20 0 EEADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCO1 ZINC000359365194 1323560907 /nfs/dbraw/zinc/56/09/07/1323560907.db2.gz VPAHYWRCACGICD-GXTWGEPZSA-N -1 1 345.403 2.313 20 0 EEADMM Cn1nnc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n1 ZINC001266011753 1323563894 /nfs/dbraw/zinc/56/38/94/1323563894.db2.gz BGPHASKBXIHWRJ-UHFFFAOYSA-N -1 1 338.249 2.136 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3c[nH]nc3[C@H]3CCCO3)[nH]c21 ZINC001608524164 1351709406 /nfs/dbraw/zinc/70/94/06/1351709406.db2.gz HNUZYIBYJRMZRN-LLVKDONJSA-N -1 1 341.327 2.088 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(Cl)(Cl)Cl ZINC001590010728 1349105546 /nfs/dbraw/zinc/10/55/46/1349105546.db2.gz SSZXXOZGVAIFEU-YFKPBYRVSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(Cl)(Cl)Cl ZINC001590010728 1349105550 /nfs/dbraw/zinc/10/55/50/1349105550.db2.gz SSZXXOZGVAIFEU-YFKPBYRVSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590038037 1349120659 /nfs/dbraw/zinc/12/06/59/1349120659.db2.gz XXHXBXCYBBHXRF-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590038037 1349120663 /nfs/dbraw/zinc/12/06/63/1349120663.db2.gz XXHXBXCYBBHXRF-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@@]2(CCOC2=O)C1 ZINC001601687327 1350337624 /nfs/dbraw/zinc/33/76/24/1350337624.db2.gz QQIYYGVPUGZQOV-IUODEOHRSA-N -1 1 327.739 2.244 20 0 EEADMM O=C([O-])c1ccc(Br)c(CN2CCC[C@@H]2CCO)c1 ZINC001602314179 1350491592 /nfs/dbraw/zinc/49/15/92/1350491592.db2.gz UBTPVJVNXJTWSW-GFCCVEGCSA-N -1 1 328.206 2.494 20 0 EEADMM O=C([O-])c1ccc(CNCc2ccc(-c3nncnn3)cc2)c(F)c1 ZINC001602347422 1350500868 /nfs/dbraw/zinc/50/08/68/1350500868.db2.gz APJFLPFDTYZNDE-UHFFFAOYSA-N -1 1 339.330 2.061 20 0 EEADMM COc1ccc(Cl)cc1CN(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605289665 1351125765 /nfs/dbraw/zinc/12/57/65/1351125765.db2.gz HQLZIYWUISJGJR-UHFFFAOYSA-N -1 1 347.762 2.394 20 0 EEADMM COc1ccc(Cl)cc1CN(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605289665 1351125768 /nfs/dbraw/zinc/12/57/68/1351125768.db2.gz HQLZIYWUISJGJR-UHFFFAOYSA-N -1 1 347.762 2.394 20 0 EEADMM Cc1cc([C@@H](NC(=O)c2ccc3cncn3c2)C(=O)[O-])ccc1F ZINC001607614224 1351525455 /nfs/dbraw/zinc/52/54/55/1351525455.db2.gz DQZCBUHIQWTWAO-OAHLLOKOSA-N -1 1 327.315 2.338 20 0 EEADMM CCn1cc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)nn1 ZINC001306873519 1331494575 /nfs/dbraw/zinc/49/45/75/1331494575.db2.gz HSTUQVICPKMFEY-UHFFFAOYSA-N -1 1 331.763 2.135 20 0 EEADMM O=C([O-])C[C@@H]1C(=O)NCCN1CC1CCC(c2ccccc2)CC1 ZINC001608689497 1351742533 /nfs/dbraw/zinc/74/25/33/1351742533.db2.gz FBYDJDOVBNPKCZ-BDVYOWHSSA-N -1 1 330.428 2.236 20 0 EEADMM O=C([O-])CN1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001608748960 1351755271 /nfs/dbraw/zinc/75/52/71/1351755271.db2.gz DWNPJIXDLYMHGZ-UHFFFAOYSA-N -1 1 345.226 2.155 20 0 EEADMM O=C([O-])c1c[nH]c(CNC[C@@H](n2cncn2)C(F)(F)F)c1C1CC1 ZINC001608831795 1351773922 /nfs/dbraw/zinc/77/39/22/1351773922.db2.gz SGNFANOLGUFGDD-LLVKDONJSA-N -1 1 343.309 2.075 20 0 EEADMM O=C(Nc1ccc2[nH]nnc2c1)c1ncc(Br)cc1[O-] ZINC001621508666 1352369016 /nfs/dbraw/zinc/36/90/16/1352369016.db2.gz SDRVCHCPVACBHA-UHFFFAOYSA-N -1 1 334.133 2.073 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCCCN2C(=O)[C@H]1CCCc2n[nH]nc21 ZINC001608919975 1351794460 /nfs/dbraw/zinc/79/44/60/1351794460.db2.gz IRTJZQKEKWCDJT-ZDUSSCGKSA-N -1 1 340.383 2.292 20 0 EEADMM O=C([O-])c1cccc2c1CCN2C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001608941215 1351798935 /nfs/dbraw/zinc/79/89/35/1351798935.db2.gz OYDPIHOVQHIPFV-UHFFFAOYSA-N -1 1 334.335 2.373 20 0 EEADMM O=C([O-])c1nc(CNc2nc(Cl)nc3[nH]cnc32)ccc1Cl ZINC001608996315 1351811224 /nfs/dbraw/zinc/81/12/24/1351811224.db2.gz HGXMSPXWCRCVSV-UHFFFAOYSA-N -1 1 339.142 2.317 20 0 EEADMM Brc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609018235 1351815686 /nfs/dbraw/zinc/81/56/86/1351815686.db2.gz HLKQWNTWMGFBEM-UHFFFAOYSA-N -1 1 331.177 2.058 20 0 EEADMM Brc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609018235 1351815691 /nfs/dbraw/zinc/81/56/91/1351815691.db2.gz HLKQWNTWMGFBEM-UHFFFAOYSA-N -1 1 331.177 2.058 20 0 EEADMM CC(C)CCc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)n[nH]1 ZINC001609094734 1351840995 /nfs/dbraw/zinc/84/09/95/1351840995.db2.gz UPJBVOHKGZGNTG-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM O=C(NC[C@H]1CCOC2(CCC2)C1)c1ccc2n[n-]c(=S)n2c1 ZINC001324512150 1333700040 /nfs/dbraw/zinc/70/00/40/1333700040.db2.gz FXUFWYDHFSOVBD-NSHDSACASA-N -1 1 332.429 2.097 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCC1(F)F ZINC001609175444 1351878155 /nfs/dbraw/zinc/87/81/55/1351878155.db2.gz QWRRRBQTQIMARB-SECBINFHSA-N -1 1 331.330 2.291 20 0 EEADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCC1(F)F ZINC001609175444 1351878160 /nfs/dbraw/zinc/87/81/60/1351878160.db2.gz QWRRRBQTQIMARB-SECBINFHSA-N -1 1 331.330 2.291 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001609362302 1351947252 /nfs/dbraw/zinc/94/72/52/1351947252.db2.gz HPUXIPDMELFKHT-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001609362302 1351947253 /nfs/dbraw/zinc/94/72/53/1351947253.db2.gz HPUXIPDMELFKHT-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM C[C@H](CC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609375480 1351950870 /nfs/dbraw/zinc/95/08/70/1351950870.db2.gz LOGXWRXHKNCWJQ-SNVBAGLBSA-N -1 1 332.412 2.081 20 0 EEADMM C[C@H](CC1CCCCC1)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609375480 1351950873 /nfs/dbraw/zinc/95/08/73/1351950873.db2.gz LOGXWRXHKNCWJQ-SNVBAGLBSA-N -1 1 332.412 2.081 20 0 EEADMM Cc1cc(CN(C)c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)no1 ZINC001609400630 1351961146 /nfs/dbraw/zinc/96/11/46/1351961146.db2.gz YGEVKCOBWOOVNE-UHFFFAOYSA-N -1 1 339.281 2.213 20 0 EEADMM Cc1cc(CN(C)c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)no1 ZINC001609400630 1351961148 /nfs/dbraw/zinc/96/11/48/1351961148.db2.gz YGEVKCOBWOOVNE-UHFFFAOYSA-N -1 1 339.281 2.213 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCc3sccc32)c1-c1nn[n-]n1 ZINC001609444899 1351980725 /nfs/dbraw/zinc/98/07/25/1351980725.db2.gz YKPKFADXGINMCI-SECBINFHSA-N -1 1 329.389 2.018 20 0 EEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001609449812 1351982679 /nfs/dbraw/zinc/98/26/79/1351982679.db2.gz RZVULVCKHLAYDT-SECBINFHSA-N -1 1 343.416 2.168 20 0 EEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001609449812 1351982681 /nfs/dbraw/zinc/98/26/81/1351982681.db2.gz RZVULVCKHLAYDT-SECBINFHSA-N -1 1 343.416 2.168 20 0 EEADMM Fc1ccc(CCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001609490214 1351995921 /nfs/dbraw/zinc/99/59/21/1351995921.db2.gz IMZRVJCYCFKLGK-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(CCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001609490214 1351995924 /nfs/dbraw/zinc/99/59/24/1351995924.db2.gz IMZRVJCYCFKLGK-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM COc1ccc2c(c1)c(C(=O)N(C)c1nn[n-]n1)c(C)n2C1CC1 ZINC001332242257 1335777563 /nfs/dbraw/zinc/77/75/63/1335777563.db2.gz SVOLEBVKLMLDEK-UHFFFAOYSA-N -1 1 326.360 2.083 20 0 EEADMM O=C(Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)c1cc[nH]n1 ZINC001609565893 1352018784 /nfs/dbraw/zinc/01/87/84/1352018784.db2.gz NBUFIUJYNXGYES-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)c1cc[nH]n1 ZINC001609565893 1352018788 /nfs/dbraw/zinc/01/87/88/1352018788.db2.gz NBUFIUJYNXGYES-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM CC(C)c1nc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)n[nH]1 ZINC001609721326 1352068527 /nfs/dbraw/zinc/06/85/27/1352068527.db2.gz HLCOPAKBZJQUDT-UHFFFAOYSA-N -1 1 335.433 2.010 20 0 EEADMM C[C@H](c1ccc(Br)cc1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001609809237 1352090632 /nfs/dbraw/zinc/09/06/32/1352090632.db2.gz WAAHJTCMUALRBD-CDMKHQONSA-N -1 1 328.206 2.278 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC001609811142 1352090939 /nfs/dbraw/zinc/09/09/39/1352090939.db2.gz KRWRGXBBWSDXHY-INIZCTEOSA-N -1 1 342.342 2.413 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001609870082 1352107294 /nfs/dbraw/zinc/10/72/94/1352107294.db2.gz YLZMWRIRAWULTE-CQSZACIVSA-N -1 1 330.428 2.114 20 0 EEADMM CCN1CCN(CC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001610006378 1352138763 /nfs/dbraw/zinc/13/87/63/1352138763.db2.gz XZGZYMPPZWCAOR-UHFFFAOYSA-N -1 1 347.440 2.176 20 0 EEADMM CN(C)Cc1cc(-c2noc(C34CC(C(=O)[O-])(C3)C4)n2)ccc1F ZINC001610101054 1352162454 /nfs/dbraw/zinc/16/24/54/1352162454.db2.gz DYFKWSCNNYSWER-UHFFFAOYSA-N -1 1 331.347 2.444 20 0 EEADMM CSCC[C@@H](CC(=O)Nc1c[n-][nH]c1=O)NC(=O)OC(C)(C)C ZINC001413850113 1338050253 /nfs/dbraw/zinc/05/02/53/1338050253.db2.gz XZKCHZBZNVGZQK-VIFPVBQESA-N -1 1 344.437 2.090 20 0 EEADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1[C@@H](C)CCc1cccc(F)c1 ZINC001610162153 1352176474 /nfs/dbraw/zinc/17/64/74/1352176474.db2.gz JBZQZHXWTKUCPE-NOLJZWGESA-N -1 1 337.391 2.485 20 0 EEADMM CCCSCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848341312 1338683827 /nfs/dbraw/zinc/68/38/27/1338683827.db2.gz BUUUJAOHPBBQRM-NXEZZACHSA-N -1 1 326.384 2.188 20 0 EEADMM Cc1[nH]c(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001610402313 1352217232 /nfs/dbraw/zinc/21/72/32/1352217232.db2.gz QETLTOIILKGGFU-UPJWGTAASA-N -1 1 348.399 2.230 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cnsn1 ZINC000848706269 1338743418 /nfs/dbraw/zinc/74/34/18/1338743418.db2.gz JYMCWHJUTOPMHQ-UHFFFAOYSA-N -1 1 341.414 2.047 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(OC)CC1 ZINC001356474699 1338823641 /nfs/dbraw/zinc/82/36/41/1338823641.db2.gz GIWQWZHATRONHV-UHFFFAOYSA-N -1 1 337.811 2.334 20 0 EEADMM Cc1cccc2c1CC[C@@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610526838 1352239017 /nfs/dbraw/zinc/23/90/17/1352239017.db2.gz AOZUDAULCJQXHX-PBHICJAKSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccccc1N(C)C ZINC001610571315 1352247204 /nfs/dbraw/zinc/24/72/04/1352247204.db2.gz YNXZNZAZDROCRT-UHFFFAOYSA-N -1 1 330.432 2.330 20 0 EEADMM Cc1noc([C@@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001610576717 1352247890 /nfs/dbraw/zinc/24/78/90/1352247890.db2.gz FPWOJVORADMFPX-CYBMUJFWSA-N -1 1 341.371 2.263 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC001610685336 1352260054 /nfs/dbraw/zinc/26/00/54/1352260054.db2.gz PYWSAEOUJSJNND-ZDUSSCGKSA-N -1 1 327.315 2.300 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001610701916 1352261546 /nfs/dbraw/zinc/26/15/46/1352261546.db2.gz XCUHBPHGLVKPQY-PMPSAXMXSA-N -1 1 327.384 2.106 20 0 EEADMM O=C([O-])C12CC(C(=O)Nc3nc(-c4cc5ccccc5o4)n[nH]3)(C1)C2 ZINC001610730669 1352266012 /nfs/dbraw/zinc/26/60/12/1352266012.db2.gz YWIXATADRIOGEI-UHFFFAOYSA-N -1 1 338.323 2.411 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1CCCn1c(=O)[nH]c2ccccc21 ZINC001610765981 1352270973 /nfs/dbraw/zinc/27/09/73/1352270973.db2.gz LVXUIWYWEDCATQ-GFCCVEGCSA-N -1 1 335.429 2.024 20 0 EEADMM O=C([O-])c1ccc(CS(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1 ZINC001610829538 1352281994 /nfs/dbraw/zinc/28/19/94/1352281994.db2.gz DHFKPWCZUUXKMB-UHFFFAOYSA-N -1 1 349.290 2.069 20 0 EEADMM Cc1ccsc1C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001429857512 1340039131 /nfs/dbraw/zinc/03/91/31/1340039131.db2.gz LUYDAARBOAGCQA-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(F)ccc1C)NC(=O)c1ncccc1[O-] ZINC001430650592 1340284634 /nfs/dbraw/zinc/28/46/34/1340284634.db2.gz IJVCXNBFQSZVLH-ZDUSSCGKSA-N -1 1 345.374 2.173 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)c1cnc2cccnn21 ZINC001616324677 1352327632 /nfs/dbraw/zinc/32/76/32/1352327632.db2.gz GKGWUZWVMDVOCL-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001433012221 1341464746 /nfs/dbraw/zinc/46/47/46/1341464746.db2.gz MJYRCIJXFMCINL-RBSFLKMASA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2ccc([O-])c(F)c2)c1 ZINC001434211537 1341793065 /nfs/dbraw/zinc/79/30/65/1341793065.db2.gz BEQSIXQZTCFZBL-INIZCTEOSA-N -1 1 328.343 2.153 20 0 EEADMM CCc1nc(NC(=O)c2cc(Br)cc(F)c2[O-])n[nH]1 ZINC001434431306 1341843420 /nfs/dbraw/zinc/84/34/20/1341843420.db2.gz OHNAKJOPIZPZIO-UHFFFAOYSA-N -1 1 329.129 2.227 20 0 EEADMM CCc1n[nH]c(NC(=O)c2cc(Br)cc(F)c2[O-])n1 ZINC001434431306 1341843422 /nfs/dbraw/zinc/84/34/22/1341843422.db2.gz OHNAKJOPIZPZIO-UHFFFAOYSA-N -1 1 329.129 2.227 20 0 EEADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([O-])cc3F)cn2)CCO1 ZINC001464159236 1342091626 /nfs/dbraw/zinc/09/16/26/1342091626.db2.gz QCXKQMGSOUNDDN-GFCCVEGCSA-N -1 1 345.374 2.081 20 0 EEADMM CC1(C)COc2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001575745983 1343867231 /nfs/dbraw/zinc/86/72/31/1343867231.db2.gz JYQRQTWLNQXFSS-UHFFFAOYSA-N -1 1 336.355 2.184 20 0 EEADMM CC1(C)COc2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001575745983 1343867235 /nfs/dbraw/zinc/86/72/35/1343867235.db2.gz JYQRQTWLNQXFSS-UHFFFAOYSA-N -1 1 336.355 2.184 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)c1ccccc1 ZINC001576976841 1344079979 /nfs/dbraw/zinc/07/99/79/1344079979.db2.gz AZDWHXXMCNHBMI-CYBMUJFWSA-N -1 1 339.355 2.159 20 0 EEADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)c1ccccc1 ZINC001576976841 1344079980 /nfs/dbraw/zinc/07/99/80/1344079980.db2.gz AZDWHXXMCNHBMI-CYBMUJFWSA-N -1 1 339.355 2.159 20 0 EEADMM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155839 1344096427 /nfs/dbraw/zinc/09/64/27/1344096427.db2.gz GRWQPWPJMKCZAT-WDEREUQCSA-N -1 1 345.407 2.218 20 0 EEADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203107 1344104626 /nfs/dbraw/zinc/10/46/26/1344104626.db2.gz OUXAWHDPDDCRRL-RNFRBKRXSA-N -1 1 343.844 2.082 20 0 EEADMM CCCCC(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577396519 1344140614 /nfs/dbraw/zinc/14/06/14/1344140614.db2.gz USCUKDREDXEGBV-UHFFFAOYSA-N -1 1 349.464 2.223 20 0 EEADMM CCCCC(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577424932 1344147616 /nfs/dbraw/zinc/14/76/16/1344147616.db2.gz MKZNLRLEGXRNPA-PHIMTYICSA-N -1 1 349.464 2.129 20 0 EEADMM CN(CCc1cccs1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001579232349 1344355194 /nfs/dbraw/zinc/35/51/94/1344355194.db2.gz WHMJGUKECWSCLY-UHFFFAOYSA-N -1 1 329.389 2.030 20 0 EEADMM CN(CCc1cccs1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001579232349 1344355197 /nfs/dbraw/zinc/35/51/97/1344355197.db2.gz WHMJGUKECWSCLY-UHFFFAOYSA-N -1 1 329.389 2.030 20 0 EEADMM COc1cc(CNC(=O)c2ccsc2-c2nnn[n-]2)ccc1C ZINC001579927263 1344433208 /nfs/dbraw/zinc/43/32/08/1344433208.db2.gz FNTKDNIVSBYBMZ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(CNC(=O)c2ccsc2-c2nn[n-]n2)ccc1C ZINC001579927263 1344433214 /nfs/dbraw/zinc/43/32/14/1344433214.db2.gz FNTKDNIVSBYBMZ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001581209397 1344597119 /nfs/dbraw/zinc/59/71/19/1344597119.db2.gz FHJCMQLQBHRCFV-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC001581213994 1344599546 /nfs/dbraw/zinc/59/95/46/1344599546.db2.gz VJRFKMZOVBIVJN-JKSUJKDBSA-N -1 1 348.410 2.298 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC001581213994 1344599549 /nfs/dbraw/zinc/59/95/49/1344599549.db2.gz VJRFKMZOVBIVJN-JKSUJKDBSA-N -1 1 348.410 2.298 20 0 EEADMM Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)o2)c(Br)c1 ZINC001581320554 1344616944 /nfs/dbraw/zinc/61/69/44/1344616944.db2.gz KGXLZGMPEBKTQB-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)ccc1-c1nn[nH]n1 ZINC001581436253 1344625305 /nfs/dbraw/zinc/62/53/05/1344625305.db2.gz SZSFEBZIHHGKQF-UHFFFAOYSA-N -1 1 348.725 2.321 20 0 EEADMM O=C(C/C=C\c1ccc(F)cc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582012583 1344691426 /nfs/dbraw/zinc/69/14/26/1344691426.db2.gz GVGSCUKOBLKWJQ-UPHRSURJSA-N -1 1 338.346 2.121 20 0 EEADMM O=C(C/C=C\c1ccc(F)cc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582012583 1344691432 /nfs/dbraw/zinc/69/14/32/1344691432.db2.gz GVGSCUKOBLKWJQ-UPHRSURJSA-N -1 1 338.346 2.121 20 0 EEADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(-c2nn[nH]n2)ccc1F ZINC001582552005 1344761511 /nfs/dbraw/zinc/76/15/11/1344761511.db2.gz IRLHSIXSSXHLIL-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(Nc1ccc2c(c1)CCOC2)c1ccc(-c2nnn[n-]2)s1 ZINC001582642370 1344776047 /nfs/dbraw/zinc/77/60/47/1344776047.db2.gz HERRWYCMTSAINB-UHFFFAOYSA-N -1 1 327.369 2.253 20 0 EEADMM O=C(Nc1ccc2c(c1)CCOC2)c1ccc(-c2nn[n-]n2)s1 ZINC001582642370 1344776048 /nfs/dbraw/zinc/77/60/48/1344776048.db2.gz HERRWYCMTSAINB-UHFFFAOYSA-N -1 1 327.369 2.253 20 0 EEADMM O=C(NCc1nn[n-]n1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001584968074 1348773387 /nfs/dbraw/zinc/77/33/87/1348773387.db2.gz QHAONPKXWITSLI-HNNXBMFYSA-N -1 1 327.775 2.301 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccnc2ccccc21 ZINC001586100124 1348840253 /nfs/dbraw/zinc/84/02/53/1348840253.db2.gz LWXBFBXVLOYCEI-MRXNPFEDSA-N -1 1 330.351 2.267 20 0 EEADMM CC(=O)N1CC[C@H](Nc2cc(C)cc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001588812717 1348938278 /nfs/dbraw/zinc/93/82/78/1348938278.db2.gz PDGXQFNGSYAIQH-AWEZNQCLSA-N -1 1 349.398 2.480 20 0 EEADMM CC(=O)N1CC[C@H](Nc2cc(C)cc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001588812717 1348938281 /nfs/dbraw/zinc/93/82/81/1348938281.db2.gz PDGXQFNGSYAIQH-AWEZNQCLSA-N -1 1 349.398 2.480 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)OCc2ccc(-c3nnn[n-]3)o2)C1(C)C ZINC001588888622 1348941465 /nfs/dbraw/zinc/94/14/65/1348941465.db2.gz BHLYMSAFKLYHKK-PWSUYJOCSA-N -1 1 332.360 2.144 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)OCc2ccc(-c3nn[n-]n3)o2)C1(C)C ZINC001588888622 1348941468 /nfs/dbraw/zinc/94/14/68/1348941468.db2.gz BHLYMSAFKLYHKK-PWSUYJOCSA-N -1 1 332.360 2.144 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001588915083 1348947460 /nfs/dbraw/zinc/94/74/60/1348947460.db2.gz JOWMNGWFNZFGOE-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001588915083 1348947463 /nfs/dbraw/zinc/94/74/63/1348947463.db2.gz JOWMNGWFNZFGOE-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM C[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccsc1 ZINC001589011872 1348952536 /nfs/dbraw/zinc/95/25/36/1348952536.db2.gz PQSSIPJIFLXBHP-SSDOTTSWSA-N -1 1 329.389 2.271 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001589229264 1348972675 /nfs/dbraw/zinc/97/26/75/1348972675.db2.gz LFGBDSSTBHIWPK-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001589229264 1348972679 /nfs/dbraw/zinc/97/26/79/1348972679.db2.gz LFGBDSSTBHIWPK-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(Cc1ccc(Cl)cc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589307458 1348981591 /nfs/dbraw/zinc/98/15/91/1348981591.db2.gz ZXTCWVVMIBKEGJ-UHFFFAOYSA-N -1 1 345.794 2.208 20 0 EEADMM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001589317475 1348983378 /nfs/dbraw/zinc/98/33/78/1348983378.db2.gz QJZYBPGNSPTXOF-UHFFFAOYSA-N -1 1 341.350 2.458 20 0 EEADMM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001589317475 1348983380 /nfs/dbraw/zinc/98/33/80/1348983380.db2.gz QJZYBPGNSPTXOF-UHFFFAOYSA-N -1 1 341.350 2.458 20 0 EEADMM CC(C)[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589417490 1348988568 /nfs/dbraw/zinc/98/85/68/1348988568.db2.gz GUNGYBRFZGYDHB-MRXNPFEDSA-N -1 1 336.399 2.318 20 0 EEADMM CC(C)[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589417490 1348988570 /nfs/dbraw/zinc/98/85/70/1348988570.db2.gz GUNGYBRFZGYDHB-MRXNPFEDSA-N -1 1 336.399 2.318 20 0 EEADMM CC(C)[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)NC1CCCC1 ZINC001589487558 1348993908 /nfs/dbraw/zinc/99/39/08/1348993908.db2.gz DRKWETIYJXHGFZ-AWEZNQCLSA-N -1 1 346.460 2.437 20 0 EEADMM CC(C)[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)NC1CCCC1 ZINC001589487558 1348993913 /nfs/dbraw/zinc/99/39/13/1348993913.db2.gz DRKWETIYJXHGFZ-AWEZNQCLSA-N -1 1 346.460 2.437 20 0 EEADMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cnn(C)c1 ZINC001589477013 1348994346 /nfs/dbraw/zinc/99/43/46/1348994346.db2.gz YBRBKIQNSUSHQV-CQSZACIVSA-N -1 1 339.407 2.077 20 0 EEADMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cnn(C)c1 ZINC001589477013 1348994347 /nfs/dbraw/zinc/99/43/47/1348994347.db2.gz YBRBKIQNSUSHQV-CQSZACIVSA-N -1 1 339.407 2.077 20 0 EEADMM CC(C)OC(=O)[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)C ZINC001589735818 1349024848 /nfs/dbraw/zinc/02/48/48/1349024848.db2.gz HQPSMDWOGYGMHK-NSHDSACASA-N -1 1 338.799 2.303 20 0 EEADMM CC(C)OC(=O)[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)C ZINC001589735818 1349024853 /nfs/dbraw/zinc/02/48/53/1349024853.db2.gz HQPSMDWOGYGMHK-NSHDSACASA-N -1 1 338.799 2.303 20 0 EEADMM CC(C)c1ncc2c(n1)CCN(Cc1ccc(-c3nn[n-]n3)s1)C2 ZINC001589776627 1349037656 /nfs/dbraw/zinc/03/76/56/1349037656.db2.gz XNVRYFAWBZOFNE-UHFFFAOYSA-N -1 1 341.444 2.400 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589821505 1349050917 /nfs/dbraw/zinc/05/09/17/1349050917.db2.gz UHWPAMFLOZZLLW-LLVKDONJSA-N -1 1 325.376 2.187 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589821505 1349050923 /nfs/dbraw/zinc/05/09/23/1349050923.db2.gz UHWPAMFLOZZLLW-LLVKDONJSA-N -1 1 325.376 2.187 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nc(C(F)(F)F)cs1 ZINC001589980225 1349091415 /nfs/dbraw/zinc/09/14/15/1349091415.db2.gz JDQOQWLMODGGJY-YFKPBYRVSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nc(C(F)(F)F)cs1 ZINC001589980225 1349091422 /nfs/dbraw/zinc/09/14/22/1349091422.db2.gz JDQOQWLMODGGJY-YFKPBYRVSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1C(F)(F)F ZINC001589986977 1349093568 /nfs/dbraw/zinc/09/35/68/1349093568.db2.gz ZWXKZLGCOMPLQZ-QMMMGPOBSA-N -1 1 335.293 2.271 20 0 EEADMM C[C@](O)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CCCCC1 ZINC001589992015 1349098064 /nfs/dbraw/zinc/09/80/64/1349098064.db2.gz WKIHNIQQYSYTLQ-KRWDZBQOSA-N -1 1 343.435 2.277 20 0 EEADMM C[C@](O)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CCCCC1 ZINC001589992015 1349098070 /nfs/dbraw/zinc/09/80/70/1349098070.db2.gz WKIHNIQQYSYTLQ-KRWDZBQOSA-N -1 1 343.435 2.277 20 0 EEADMM C[C@@H](OCCCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001590017006 1349109888 /nfs/dbraw/zinc/10/98/88/1349109888.db2.gz IFZHKCPRPIBGQK-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](OCCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001590017006 1349109902 /nfs/dbraw/zinc/10/99/02/1349109902.db2.gz IFZHKCPRPIBGQK-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001590051565 1349131006 /nfs/dbraw/zinc/13/10/06/1349131006.db2.gz LSGJGKYSZPKHEX-MFKMUULPSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@H](c1ccccc1)[C@@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001590051565 1349131012 /nfs/dbraw/zinc/13/10/12/1349131012.db2.gz LSGJGKYSZPKHEX-MFKMUULPSA-N -1 1 344.806 2.492 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC001590119270 1349162669 /nfs/dbraw/zinc/16/26/69/1349162669.db2.gz ZRHJJJDODHZYDD-HOCLYGCPSA-N -1 1 348.410 2.431 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC001590119270 1349162675 /nfs/dbraw/zinc/16/26/75/1349162675.db2.gz ZRHJJJDODHZYDD-HOCLYGCPSA-N -1 1 348.410 2.431 20 0 EEADMM C[C@H]1CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)O1 ZINC001590232986 1349216602 /nfs/dbraw/zinc/21/66/02/1349216602.db2.gz XWYWQYVANRHWOG-GXSJLCMTSA-N -1 1 345.790 2.403 20 0 EEADMM C[C@@H]1CCC[C@@H](CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590240563 1349219128 /nfs/dbraw/zinc/21/91/28/1349219128.db2.gz FIKDRCKXNCPIID-OLZOCXBDSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCC[C@@H](CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590240563 1349219132 /nfs/dbraw/zinc/21/91/32/1349219132.db2.gz FIKDRCKXNCPIID-OLZOCXBDSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590249074 1349224798 /nfs/dbraw/zinc/22/47/98/1349224798.db2.gz APCRJZAZJNSGKP-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CCCCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590261722 1349238586 /nfs/dbraw/zinc/23/85/86/1349238586.db2.gz VWUKHQALYAKLKT-QMMMGPOBSA-N -1 1 340.309 2.295 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC001590300855 1349251525 /nfs/dbraw/zinc/25/15/25/1349251525.db2.gz KJVCTUFMNBPZTI-IAQYHMDHSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC001590300855 1349251532 /nfs/dbraw/zinc/25/15/32/1349251532.db2.gz KJVCTUFMNBPZTI-IAQYHMDHSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@H](c2ccccc2)O1 ZINC001590300911 1349252161 /nfs/dbraw/zinc/25/21/61/1349252161.db2.gz KJVCTUFMNBPZTI-XHDPSFHLSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@H](c2ccccc2)O1 ZINC001590300911 1349252166 /nfs/dbraw/zinc/25/21/66/1349252166.db2.gz KJVCTUFMNBPZTI-XHDPSFHLSA-N -1 1 339.355 2.062 20 0 EEADMM CC=CC=CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001590353638 1349280602 /nfs/dbraw/zinc/28/06/02/1349280602.db2.gz PMDQJXUAHFLUOS-MQQKCMAXSA-N -1 1 335.165 2.095 20 0 EEADMM CC=CC=CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001590353638 1349280605 /nfs/dbraw/zinc/28/06/05/1349280605.db2.gz PMDQJXUAHFLUOS-MQQKCMAXSA-N -1 1 335.165 2.095 20 0 EEADMM CCC(=O)N1CCCC[C@H]1[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590361585 1349285229 /nfs/dbraw/zinc/28/52/29/1349285229.db2.gz KEMFCWPHIPROBC-ONGXEEELSA-N -1 1 349.464 2.223 20 0 EEADMM CC[C@](C)(CNc1cc(Br)cnc1-c1nnn[n-]1)OC ZINC001590380864 1349294509 /nfs/dbraw/zinc/29/45/09/1349294509.db2.gz FNNIWVJCXGXUGD-GFCCVEGCSA-N -1 1 341.213 2.251 20 0 EEADMM CC[C@](C)(CNc1cc(Br)cnc1-c1nn[n-]n1)OC ZINC001590380864 1349294512 /nfs/dbraw/zinc/29/45/12/1349294512.db2.gz FNNIWVJCXGXUGD-GFCCVEGCSA-N -1 1 341.213 2.251 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2cc(-c3nnn[n-]3)nc(C)n2)ccn1 ZINC001590416509 1349313775 /nfs/dbraw/zinc/31/37/75/1349313775.db2.gz NDAPFQPDHDLFBI-SNVBAGLBSA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2cc(-c3nn[n-]n3)nc(C)n2)ccn1 ZINC001590416509 1349313780 /nfs/dbraw/zinc/31/37/80/1349313780.db2.gz NDAPFQPDHDLFBI-SNVBAGLBSA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)cc1 ZINC001590415814 1349314620 /nfs/dbraw/zinc/31/46/20/1349314620.db2.gz MQLCHOIYDMLUJT-GFCCVEGCSA-N -1 1 337.383 2.425 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590415800 1349314822 /nfs/dbraw/zinc/31/48/22/1349314822.db2.gz MBWJJQJCRGYUGO-JTQLQIEISA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590415800 1349314825 /nfs/dbraw/zinc/31/48/25/1349314825.db2.gz MBWJJQJCRGYUGO-JTQLQIEISA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC001590460153 1349337033 /nfs/dbraw/zinc/33/70/33/1349337033.db2.gz XKHOBHIXEGWWIZ-NSHDSACASA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC001590460153 1349337042 /nfs/dbraw/zinc/33/70/42/1349337042.db2.gz XKHOBHIXEGWWIZ-NSHDSACASA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H](O)C(F)(F)F ZINC001590474346 1349347787 /nfs/dbraw/zinc/34/77/87/1349347787.db2.gz FLLYOFJQRLZVHZ-WVZVXSGGSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H](O)C(F)(F)F ZINC001590474346 1349347792 /nfs/dbraw/zinc/34/77/92/1349347792.db2.gz FLLYOFJQRLZVHZ-WVZVXSGGSA-N -1 1 342.734 2.090 20 0 EEADMM CCCc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccc1Cl ZINC001590657057 1349383000 /nfs/dbraw/zinc/38/30/00/1349383000.db2.gz DHJRUVWBSNTDBX-UHFFFAOYSA-N -1 1 331.767 2.448 20 0 EEADMM CCN(CC(=O)OCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001590682568 1349387923 /nfs/dbraw/zinc/38/79/23/1349387923.db2.gz MUTDLJWDZLIZIH-UHFFFAOYSA-N -1 1 343.412 2.498 20 0 EEADMM CCc1nc(C)c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)s1 ZINC001590912176 1349410804 /nfs/dbraw/zinc/41/08/04/1349410804.db2.gz UBCXARATTQIIFT-UHFFFAOYSA-N -1 1 344.404 2.047 20 0 EEADMM CCc1nc(SCc2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)n1 ZINC001590925094 1349413751 /nfs/dbraw/zinc/41/37/51/1349413751.db2.gz JMXHBHSOJVQWJF-UHFFFAOYSA-N -1 1 342.384 2.240 20 0 EEADMM CCc1nc(SCc2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)n1 ZINC001590925094 1349413759 /nfs/dbraw/zinc/41/37/59/1349413759.db2.gz JMXHBHSOJVQWJF-UHFFFAOYSA-N -1 1 342.384 2.240 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2cccnc21 ZINC001590992738 1349427911 /nfs/dbraw/zinc/42/79/11/1349427911.db2.gz WBYZECDFUNIOMS-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2cccnc21 ZINC001590992738 1349427916 /nfs/dbraw/zinc/42/79/16/1349427916.db2.gz WBYZECDFUNIOMS-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN1c2ccccc2N(Cc2ccc(-c3nn[n-]n3)s2)CCC1=O ZINC001591164462 1349444076 /nfs/dbraw/zinc/44/40/76/1349444076.db2.gz RJMPFFRJVVJYIE-UHFFFAOYSA-N -1 1 340.412 2.301 20 0 EEADMM COc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)ccc1C ZINC001591536861 1349501175 /nfs/dbraw/zinc/50/11/75/1349501175.db2.gz DRGMGVPUDIHCCP-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM COc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)ccc1C ZINC001591536861 1349501180 /nfs/dbraw/zinc/50/11/80/1349501180.db2.gz DRGMGVPUDIHCCP-UHFFFAOYSA-N -1 1 325.376 2.396 20 0 EEADMM COc1ccc(F)cc1[C@H](C)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591606257 1349512671 /nfs/dbraw/zinc/51/26/71/1349512671.db2.gz SBXKAHYNYCAIMU-QMMMGPOBSA-N -1 1 334.380 2.322 20 0 EEADMM COc1ccc(F)cc1[C@H](C)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591606257 1349512678 /nfs/dbraw/zinc/51/26/78/1349512678.db2.gz SBXKAHYNYCAIMU-QMMMGPOBSA-N -1 1 334.380 2.322 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001591622448 1349518159 /nfs/dbraw/zinc/51/81/59/1349518159.db2.gz PBEQFFSMFXSCRD-QWHCGFSZSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001591622448 1349518166 /nfs/dbraw/zinc/51/81/66/1349518166.db2.gz PBEQFFSMFXSCRD-QWHCGFSZSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccccc1[C@H](C)CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591646885 1349524385 /nfs/dbraw/zinc/52/43/85/1349524385.db2.gz WQVQIABTJHAEDW-SECBINFHSA-N -1 1 344.400 2.464 20 0 EEADMM COc1ccccc1[C@H](C)CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591646885 1349524391 /nfs/dbraw/zinc/52/43/91/1349524391.db2.gz WQVQIABTJHAEDW-SECBINFHSA-N -1 1 344.400 2.464 20 0 EEADMM COc1ccccc1CN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001591652724 1349527240 /nfs/dbraw/zinc/52/72/40/1349527240.db2.gz DBYKENTVRHQCTF-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM COc1ccccc1CN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001591652724 1349527245 /nfs/dbraw/zinc/52/72/45/1349527245.db2.gz DBYKENTVRHQCTF-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2[C@@H](C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001591717858 1349533829 /nfs/dbraw/zinc/53/38/29/1349533829.db2.gz RMVJNYUAELNDLJ-IUCAKERBSA-N -1 1 344.444 2.484 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2[C@H](C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001591717856 1349534578 /nfs/dbraw/zinc/53/45/78/1349534578.db2.gz RMVJNYUAELNDLJ-DTORHVGOSA-N -1 1 344.444 2.484 20 0 EEADMM Cc1cc(NC[C@]2(O)CCCc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001592042532 1349586856 /nfs/dbraw/zinc/58/68/56/1349586856.db2.gz IRDLYVREDTXKNK-GOSISDBHSA-N -1 1 336.399 2.206 20 0 EEADMM Cc1cc(NC[C@]2(O)CCCc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001592042532 1349586857 /nfs/dbraw/zinc/58/68/57/1349586857.db2.gz IRDLYVREDTXKNK-GOSISDBHSA-N -1 1 336.399 2.206 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592225093 1349612326 /nfs/dbraw/zinc/61/23/26/1349612326.db2.gz VETIAPZVGJILRN-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1[nH]nc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC001592330880 1349621628 /nfs/dbraw/zinc/62/16/28/1349621628.db2.gz NYVQYQBNWBRUCQ-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1[nH]nc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC001592330880 1349621630 /nfs/dbraw/zinc/62/16/30/1349621630.db2.gz NYVQYQBNWBRUCQ-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592455226 1349633781 /nfs/dbraw/zinc/63/37/81/1349633781.db2.gz CMQWRYFKQWLXOS-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592455226 1349633783 /nfs/dbraw/zinc/63/37/83/1349633783.db2.gz CMQWRYFKQWLXOS-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)CCCN2C ZINC001592503543 1349640212 /nfs/dbraw/zinc/64/02/12/1349640212.db2.gz QWGHOYARWUYEHA-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)CCCN2C ZINC001592503543 1349640213 /nfs/dbraw/zinc/64/02/13/1349640213.db2.gz QWGHOYARWUYEHA-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM Clc1nsc(N2CCC(c3ncccn3)CC2)c1-c1nnn[n-]1 ZINC001592538586 1349652059 /nfs/dbraw/zinc/65/20/59/1349652059.db2.gz YNPSTYFWGMFROF-UHFFFAOYSA-N -1 1 348.823 2.151 20 0 EEADMM Clc1nsc(N2CCC(c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC001592538586 1349652062 /nfs/dbraw/zinc/65/20/62/1349652062.db2.gz YNPSTYFWGMFROF-UHFFFAOYSA-N -1 1 348.823 2.151 20 0 EEADMM Clc1sc(N2CCn3nc(C4CC4)cc3C2)nc1-c1nn[n-]n1 ZINC001592543099 1349654863 /nfs/dbraw/zinc/65/48/63/1349654863.db2.gz MXWAMWYZYYQMNH-UHFFFAOYSA-N -1 1 348.823 2.071 20 0 EEADMM Cn1ccc2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)cc21 ZINC001592582256 1349662742 /nfs/dbraw/zinc/66/27/42/1349662742.db2.gz ZOOLJGFCXFLWCY-UHFFFAOYSA-N -1 1 338.396 2.350 20 0 EEADMM Cn1nccc1[C@H]1CCCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592606656 1349667961 /nfs/dbraw/zinc/66/79/61/1349667961.db2.gz NOYMUGRKTRWBIQ-GFCCVEGCSA-N -1 1 343.416 2.029 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001592614924 1349672388 /nfs/dbraw/zinc/67/23/88/1349672388.db2.gz JVHRPEOTDYCELB-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM FC(F)(F)COc1ccccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001592614924 1349672393 /nfs/dbraw/zinc/67/23/93/1349672393.db2.gz JVHRPEOTDYCELB-UHFFFAOYSA-N -1 1 338.249 2.390 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001592630636 1349682645 /nfs/dbraw/zinc/68/26/45/1349682645.db2.gz QRWDWAGRQLQNFY-SNVBAGLBSA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001592630636 1349682649 /nfs/dbraw/zinc/68/26/49/1349682649.db2.gz QRWDWAGRQLQNFY-SNVBAGLBSA-N -1 1 331.286 2.187 20 0 EEADMM Fc1cccc(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1F ZINC001592654701 1349700448 /nfs/dbraw/zinc/70/04/48/1349700448.db2.gz LGQFUTZEOFRZIU-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(OCc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001592658667 1349702645 /nfs/dbraw/zinc/70/26/45/1349702645.db2.gz SQLZBSAXHOXGGH-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1cccc(OCc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001592658667 1349702647 /nfs/dbraw/zinc/70/26/47/1349702647.db2.gz SQLZBSAXHOXGGH-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM O=C(Cn1ccc2ccccc21)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592937942 1349727911 /nfs/dbraw/zinc/72/79/11/1349727911.db2.gz RHSXLRNZCAJVHF-UHFFFAOYSA-N -1 1 338.396 2.199 20 0 EEADMM O=C(NCCCOc1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001593078712 1349737810 /nfs/dbraw/zinc/73/78/10/1349737810.db2.gz QVYPZTLHHZQXMR-UHFFFAOYSA-N -1 1 329.385 2.127 20 0 EEADMM O=C(NCCCOc1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001593078712 1349737812 /nfs/dbraw/zinc/73/78/12/1349737812.db2.gz QVYPZTLHHZQXMR-UHFFFAOYSA-N -1 1 329.385 2.127 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1ccc(-c2nnn[n-]2)s1 ZINC001593143691 1349741363 /nfs/dbraw/zinc/74/13/63/1349741363.db2.gz BMGHNLNIXRTHDH-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1ccc(-c2nn[n-]n2)s1 ZINC001593143691 1349741367 /nfs/dbraw/zinc/74/13/67/1349741367.db2.gz BMGHNLNIXRTHDH-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593192279 1349744512 /nfs/dbraw/zinc/74/45/12/1349744512.db2.gz IRYGEEGMWAXQDT-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593192279 1349744518 /nfs/dbraw/zinc/74/45/18/1349744518.db2.gz IRYGEEGMWAXQDT-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001593262975 1349755280 /nfs/dbraw/zinc/75/52/80/1349755280.db2.gz WQJPLOISORQOOY-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Oc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593309492 1349777790 /nfs/dbraw/zinc/77/77/90/1349777790.db2.gz JDLCWMPVVFGGSP-UHFFFAOYSA-N -1 1 339.311 2.027 20 0 EEADMM O=C1CCN1c1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001593394808 1349797176 /nfs/dbraw/zinc/79/71/76/1349797176.db2.gz YXJWTASUVQCHSM-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1CCN1c1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001593394808 1349797178 /nfs/dbraw/zinc/79/71/78/1349797178.db2.gz YXJWTASUVQCHSM-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=C1NCCCc2cc(OCc3ccc(-c4nn[n-]n4)s3)ccc21 ZINC001593406831 1349797754 /nfs/dbraw/zinc/79/77/54/1349797754.db2.gz BCXOBJMKYQHWSL-UHFFFAOYSA-N -1 1 341.396 2.183 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593570647 1349855667 /nfs/dbraw/zinc/85/56/67/1349855667.db2.gz JHKRSUULJHYJCF-TZMCWYRMSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@H]2CCOC2)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593570647 1349855672 /nfs/dbraw/zinc/85/56/72/1349855672.db2.gz JHKRSUULJHYJCF-TZMCWYRMSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCOC1CCOCC1 ZINC001593579753 1349860226 /nfs/dbraw/zinc/86/02/26/1349860226.db2.gz DROVJYNPXXFTPA-UHFFFAOYSA-N -1 1 340.387 2.022 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCOC1CCOCC1 ZINC001593579753 1349860228 /nfs/dbraw/zinc/86/02/28/1349860228.db2.gz DROVJYNPXXFTPA-UHFFFAOYSA-N -1 1 340.387 2.022 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(SC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC001593585592 1349866067 /nfs/dbraw/zinc/86/60/67/1349866067.db2.gz WQKWANPCAOOLKI-GFCCVEGCSA-N -1 1 347.444 2.330 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(SC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC001593585592 1349866070 /nfs/dbraw/zinc/86/60/70/1349866070.db2.gz WQKWANPCAOOLKI-GFCCVEGCSA-N -1 1 347.444 2.330 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1ncncc1-c1nn[n-]n1 ZINC001593587581 1349866789 /nfs/dbraw/zinc/86/67/89/1349866789.db2.gz JSDJHRUDFPGXNW-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM CCc1ccc(CN2CCN(c3cnc(C(=O)[O-])cn3)CC2)cc1 ZINC001597526989 1349927224 /nfs/dbraw/zinc/92/72/24/1349927224.db2.gz CYNUUZSEZITHEF-UHFFFAOYSA-N -1 1 326.400 2.059 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNC(C)(C)C(=O)NCC2CCCC2)n1C ZINC001599995494 1349951838 /nfs/dbraw/zinc/95/18/38/1349951838.db2.gz QQOGTMCXZCLQJW-UHFFFAOYSA-N -1 1 335.448 2.206 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001600120216 1349974621 /nfs/dbraw/zinc/97/46/21/1349974621.db2.gz HVDXAXNDPAREHT-CABCVRRESA-N -1 1 349.456 2.395 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001600120216 1349974626 /nfs/dbraw/zinc/97/46/26/1349974626.db2.gz HVDXAXNDPAREHT-CABCVRRESA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c2ncccc12 ZINC001600333957 1350022738 /nfs/dbraw/zinc/02/27/38/1350022738.db2.gz QMJCCSJNEBPUQA-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc([C@H](N)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001600380373 1350034998 /nfs/dbraw/zinc/03/49/98/1350034998.db2.gz IDWYXJWWWMDPNF-AGIUHOORSA-N -1 1 344.333 2.106 20 0 EEADMM Cc1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC001600389022 1350037803 /nfs/dbraw/zinc/03/78/03/1350037803.db2.gz VOBRNYMOXRGXLU-DZKIICNBSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccc(C=Cc2n[nH]c(SC[C@@H]3CC(C(=O)[O-])=NO3)n2)o1 ZINC001600397784 1350040255 /nfs/dbraw/zinc/04/02/55/1350040255.db2.gz UHORWFXNRMAWAN-YEZKRMTDSA-N -1 1 334.357 2.198 20 0 EEADMM Cc1ccc(CN2CC[C@@H](NC(=O)c3csc(C(=O)[O-])n3)C2)cc1 ZINC001600413497 1350044862 /nfs/dbraw/zinc/04/48/62/1350044862.db2.gz YQDNCEHKRGKZQO-CYBMUJFWSA-N -1 1 345.424 2.154 20 0 EEADMM Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)nc1 ZINC001600445447 1350053307 /nfs/dbraw/zinc/05/33/07/1350053307.db2.gz VIHIBDFKBCPSHI-CYBMUJFWSA-N -1 1 342.399 2.267 20 0 EEADMM Cc1cccc(-c2nsc(N3CCN(CCC(=O)[O-])C[C@@H]3C)n2)c1 ZINC001600508611 1350069331 /nfs/dbraw/zinc/06/93/31/1350069331.db2.gz RUZIQUCPAOUSRZ-ZDUSSCGKSA-N -1 1 346.456 2.499 20 0 EEADMM Cc1nc2c(cccc2C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)[nH]1 ZINC001600721673 1350121205 /nfs/dbraw/zinc/12/12/05/1350121205.db2.gz XAHPXLVPYVYOLD-UHFFFAOYSA-N -1 1 336.351 2.163 20 0 EEADMM Cc1ncc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1C(=O)[O-] ZINC001600742980 1350126222 /nfs/dbraw/zinc/12/62/22/1350126222.db2.gz DTJRXMRYQNEXFV-UHFFFAOYSA-N -1 1 337.339 2.049 20 0 EEADMM Cn1ncc(C2CC2)c1CNCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001601026582 1350193272 /nfs/dbraw/zinc/19/32/72/1350193272.db2.gz FVTBPDJGSOKVAJ-UHFFFAOYSA-N -1 1 328.416 2.423 20 0 EEADMM N[C@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC001601172200 1350224982 /nfs/dbraw/zinc/22/49/82/1350224982.db2.gz PPZWVZPIFOJSCA-SFHVURJKSA-N -1 1 342.395 2.246 20 0 EEADMM O=C([O-])[C@H]1CCC[C@H]1NCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001601806215 1350369233 /nfs/dbraw/zinc/36/92/33/1350369233.db2.gz ABQSGKCQJAXCPY-GZMMTYOYSA-N -1 1 341.289 2.497 20 0 EEADMM O=C([O-])CCCO[N-]C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC001601995215 1350413307 /nfs/dbraw/zinc/41/33/07/1350413307.db2.gz ROWRGRAWACEVHN-DLBZAZTESA-N -1 1 346.427 2.057 20 0 EEADMM O=C([O-])CCCO[N-]C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC001601995215 1350413309 /nfs/dbraw/zinc/41/33/09/1350413309.db2.gz ROWRGRAWACEVHN-DLBZAZTESA-N -1 1 346.427 2.057 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)c2coc([C@@H]3CCCN3)n2)cc1 ZINC001602040970 1350424608 /nfs/dbraw/zinc/42/46/08/1350424608.db2.gz 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EEADMM CN(CCCCNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604741647 1350995218 /nfs/dbraw/zinc/99/52/18/1350995218.db2.gz PTIODKKGVNTNJX-UHFFFAOYSA-N -1 1 340.387 2.106 20 0 EEADMM C[C@@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)[C@@H](C(N)=O)C1 ZINC001604757507 1350998252 /nfs/dbraw/zinc/99/82/52/1350998252.db2.gz SYPCHOOTUQYFGU-IAQYHMDHSA-N -1 1 327.384 2.019 20 0 EEADMM CN1Cc2cc(Oc3nc(Cl)c(-c4nnn[n-]4)s3)ccc2C1=O ZINC001604872366 1351023509 /nfs/dbraw/zinc/02/35/09/1351023509.db2.gz DJOPRVWUSWJLIA-UHFFFAOYSA-N -1 1 348.775 2.355 20 0 EEADMM CN1Cc2cc(Oc3nc(Cl)c(-c4nn[n-]n4)s3)ccc2C1=O ZINC001604872366 1351023514 /nfs/dbraw/zinc/02/35/14/1351023514.db2.gz DJOPRVWUSWJLIA-UHFFFAOYSA-N -1 1 348.775 2.355 20 0 EEADMM COC(=Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001604900247 1351027669 /nfs/dbraw/zinc/02/76/69/1351027669.db2.gz ORLQWFVITUDRBC-OQLLNIDSSA-N -1 1 337.339 2.198 20 0 EEADMM CC[C@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001605032592 1351063316 /nfs/dbraw/zinc/06/33/16/1351063316.db2.gz KGKVQJJOQUSVBE-HZPDHXFCSA-N -1 1 347.459 2.371 20 0 EEADMM CC[C@@H](N[C@H](Cc1cncs1)C(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC001605091073 1351076331 /nfs/dbraw/zinc/07/63/31/1351076331.db2.gz IZXXNNSFFSVDGI-HUUCEWRRSA-N -1 1 347.440 2.454 20 0 EEADMM CON(C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)C1CCCC1 ZINC001605140009 1351086749 /nfs/dbraw/zinc/08/67/49/1351086749.db2.gz UWNSZNPZBUEKTQ-UHFFFAOYSA-N -1 1 326.360 2.294 20 0 EEADMM COc1c(C)cc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)cc1C ZINC001605155251 1351090234 /nfs/dbraw/zinc/09/02/34/1351090234.db2.gz DZDRWSFSEQXGFP-UHFFFAOYSA-N -1 1 341.371 2.357 20 0 EEADMM COc1c(C)cc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001605155251 1351090238 /nfs/dbraw/zinc/09/02/38/1351090238.db2.gz DZDRWSFSEQXGFP-UHFFFAOYSA-N -1 1 341.371 2.357 20 0 EEADMM COc1ccc(CCC(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001605271154 1351121181 /nfs/dbraw/zinc/12/11/81/1351121181.db2.gz VTHVZXDFGINTBB-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM COc1ccc(CCC(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001605271154 1351121185 /nfs/dbraw/zinc/12/11/85/1351121185.db2.gz VTHVZXDFGINTBB-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM COc1cccc([C@H](C)C(=O)OCc2cccnc2-c2nnn[n-]2)c1 ZINC001605313509 1351133234 /nfs/dbraw/zinc/13/32/34/1351133234.db2.gz XBZMRXRDAAZAJN-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM COc1cccc([C@H](C)C(=O)OCc2cccnc2-c2nn[n-]n2)c1 ZINC001605313509 1351133236 /nfs/dbraw/zinc/13/32/36/1351133236.db2.gz XBZMRXRDAAZAJN-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC[C@@H](C)c2ccccc2)nn1C ZINC001605466133 1351163857 /nfs/dbraw/zinc/16/38/57/1351163857.db2.gz VGZDIMIOOZHGJF-LLVKDONJSA-N -1 1 339.403 2.431 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC[C@@H](C)c2ccccc2)nn1C ZINC001605466133 1351163858 /nfs/dbraw/zinc/16/38/58/1351163858.db2.gz VGZDIMIOOZHGJF-LLVKDONJSA-N -1 1 339.403 2.431 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccc3c(cnn3C(F)F)c2)n1 ZINC001605584024 1351194384 /nfs/dbraw/zinc/19/43/84/1351194384.db2.gz JJCHRDPSQUGOEN-UHFFFAOYSA-N -1 1 343.301 2.454 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccc3c(cnn3C(F)F)c2)n1 ZINC001605584024 1351194386 /nfs/dbraw/zinc/19/43/86/1351194386.db2.gz JJCHRDPSQUGOEN-UHFFFAOYSA-N -1 1 343.301 2.454 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2)nc1-c1nnn[n-]1 ZINC001605874750 1351243185 /nfs/dbraw/zinc/24/31/85/1351243185.db2.gz PJLBMUFZHNBAKJ-INIZCTEOSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001605874750 1351243188 /nfs/dbraw/zinc/24/31/88/1351243188.db2.gz PJLBMUFZHNBAKJ-INIZCTEOSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc(NC[C@@H](O)Cc2cccc(Cl)c2)nc1-c1nnn[n-]1 ZINC001605874210 1351243193 /nfs/dbraw/zinc/24/31/93/1351243193.db2.gz KOYAMUNMZPNTTF-ZDUSSCGKSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(NC[C@@H](O)Cc2cccc(Cl)c2)nc1-c1nn[n-]n1 ZINC001605874210 1351243196 /nfs/dbraw/zinc/24/31/96/1351243196.db2.gz KOYAMUNMZPNTTF-ZDUSSCGKSA-N -1 1 344.806 2.239 20 0 EEADMM CN(CCc1cnccn1)Cc1oc(Br)cc1C(=O)[O-] ZINC001606140639 1351278214 /nfs/dbraw/zinc/27/82/14/1351278214.db2.gz HCXKFLKWQZWIGN-UHFFFAOYSA-N -1 1 340.177 2.205 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2cc[nH]n2)c1-c1nnn[n-]1 ZINC001606201110 1351284662 /nfs/dbraw/zinc/28/46/62/1351284662.db2.gz TWWQEVPRVQIQSN-MRVPVSSYSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2cc[nH]n2)c1-c1nn[n-]n1 ZINC001606201110 1351284665 /nfs/dbraw/zinc/28/46/65/1351284665.db2.gz TWWQEVPRVQIQSN-MRVPVSSYSA-N -1 1 336.812 2.431 20 0 EEADMM Fc1cccc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nnn[n-]1 ZINC001606328758 1351293207 /nfs/dbraw/zinc/29/32/07/1351293207.db2.gz HFFUZDOUMXAMQA-XVKPBYJWSA-N -1 1 332.257 2.495 20 0 EEADMM Fc1cccc(OC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001606328758 1351293209 /nfs/dbraw/zinc/29/32/09/1351293209.db2.gz HFFUZDOUMXAMQA-XVKPBYJWSA-N -1 1 332.257 2.495 20 0 EEADMM COC(=O)CCN(Cc1ccc(C(=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC001606454821 1351305695 /nfs/dbraw/zinc/30/56/95/1351305695.db2.gz NPVWQPVOXPUSFG-AWEZNQCLSA-N -1 1 339.363 2.068 20 0 EEADMM O=C(N[C@@H]1COc2c1cccc2Cl)c1csc(-c2nn[n-]n2)c1 ZINC001606689388 1351343726 /nfs/dbraw/zinc/34/37/26/1351343726.db2.gz SLRWXNWXSMFPQZ-SNVBAGLBSA-N -1 1 347.787 2.445 20 0 EEADMM COC[C@](C)(NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC001606791658 1351356891 /nfs/dbraw/zinc/35/68/91/1351356891.db2.gz NMDUJIRJSRSPJQ-INIZCTEOSA-N -1 1 337.807 2.413 20 0 EEADMM O=C(NCc1cccc(F)c1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606838974 1351365426 /nfs/dbraw/zinc/36/54/26/1351365426.db2.gz RGDQOHWTOBJBRM-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1cccc(F)c1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606838974 1351365429 /nfs/dbraw/zinc/36/54/29/1351365429.db2.gz RGDQOHWTOBJBRM-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCC[C@H]1C1CC1 ZINC001606845292 1351366133 /nfs/dbraw/zinc/36/61/33/1351366133.db2.gz VNFZKZQBFNOYNK-QWRGUYRKSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCC[C@H]1C1CC1 ZINC001606845292 1351366137 /nfs/dbraw/zinc/36/61/37/1351366137.db2.gz VNFZKZQBFNOYNK-QWRGUYRKSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(Nc1cnn(C2CCC2)c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606947071 1351382080 /nfs/dbraw/zinc/38/20/80/1351382080.db2.gz HZAOTVNPXOVEGL-UHFFFAOYSA-N -1 1 345.313 2.319 20 0 EEADMM O=C(Nc1cnn(C2CCC2)c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606947071 1351382083 /nfs/dbraw/zinc/38/20/83/1351382083.db2.gz HZAOTVNPXOVEGL-UHFFFAOYSA-N -1 1 345.313 2.319 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccn(C2CCCCC2)n1 ZINC001606953647 1351383570 /nfs/dbraw/zinc/38/35/70/1351383570.db2.gz XSLHUPXWEPZSMU-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccn(C2CCCCC2)n1 ZINC001606953647 1351383574 /nfs/dbraw/zinc/38/35/74/1351383574.db2.gz XSLHUPXWEPZSMU-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(O[C@@H]1CCCc2nccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001606963877 1351385804 /nfs/dbraw/zinc/38/58/04/1351385804.db2.gz IYPKHSQIHKKIEQ-GFCCVEGCSA-N -1 1 340.318 2.030 20 0 EEADMM O=C(O[C@@H]1CCCc2nccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001606963877 1351385806 /nfs/dbraw/zinc/38/58/06/1351385806.db2.gz IYPKHSQIHKKIEQ-GFCCVEGCSA-N -1 1 340.318 2.030 20 0 EEADMM O=C(Oc1ccc(OC2CCC2)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606989227 1351393614 /nfs/dbraw/zinc/39/36/14/1351393614.db2.gz PMUDRFDNOYKXBT-UHFFFAOYSA-N -1 1 337.339 2.412 20 0 EEADMM O=C(Oc1ccc(OC2CCC2)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606989227 1351393618 /nfs/dbraw/zinc/39/36/18/1351393618.db2.gz PMUDRFDNOYKXBT-UHFFFAOYSA-N -1 1 337.339 2.412 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001606994228 1351394411 /nfs/dbraw/zinc/39/44/11/1351394411.db2.gz VOWAIWOKHCBISS-ZJUUUORDSA-N -1 1 344.325 2.075 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001607017461 1351398461 /nfs/dbraw/zinc/39/84/61/1351398461.db2.gz ZIGBWOPUXJQQTP-UTUOFQBUSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001607017461 1351398464 /nfs/dbraw/zinc/39/84/64/1351398464.db2.gz ZIGBWOPUXJQQTP-UTUOFQBUSA-N -1 1 347.444 2.084 20 0 EEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001607069876 1351406791 /nfs/dbraw/zinc/40/67/91/1351406791.db2.gz FRQMWMAMZXWBCS-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=S(=O)(Oc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001607069876 1351406793 /nfs/dbraw/zinc/40/67/93/1351406793.db2.gz FRQMWMAMZXWBCS-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCOc1ccccc1 ZINC001607090557 1351413892 /nfs/dbraw/zinc/41/38/92/1351413892.db2.gz TXAGDUAMSQJKEA-UHFFFAOYSA-N -1 1 333.351 2.261 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607130824 1351432098 /nfs/dbraw/zinc/43/20/98/1351432098.db2.gz MAKPXYFWQLTMFO-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cncc(-c2nnn[n-]2)n1 ZINC001607135884 1351435220 /nfs/dbraw/zinc/43/52/20/1351435220.db2.gz JKKMEROIOXJQNZ-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cncc(-c2nn[n-]n2)n1 ZINC001607135884 1351435222 /nfs/dbraw/zinc/43/52/22/1351435222.db2.gz JKKMEROIOXJQNZ-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM COc1ccc(/C(C)=C\C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC001607220689 1351451815 /nfs/dbraw/zinc/45/18/15/1351451815.db2.gz XGHPIGCVCYCBQE-IKESIWSLSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc([C@H](NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C(=O)[O-])cc1 ZINC001607226594 1351453279 /nfs/dbraw/zinc/45/32/79/1351453279.db2.gz KYXLMCVCNDOZQK-VFVAKGGASA-N -1 1 343.383 2.026 20 0 EEADMM COc1cccc(C[C@H](N[C@@H](C)C(=O)NC2CCCCC2)C(=O)[O-])c1 ZINC001607318969 1351472595 /nfs/dbraw/zinc/47/25/95/1351472595.db2.gz KDWNDXHJBUFWIH-GUYCJALGSA-N -1 1 348.443 2.118 20 0 EEADMM C[C@@H](NCCOc1ccccc1C(=O)[O-])c1nnc2n1CCCCC2 ZINC001607422287 1351492284 /nfs/dbraw/zinc/49/22/84/1351492284.db2.gz QHHCYXWDCWPNSA-CYBMUJFWSA-N -1 1 344.415 2.432 20 0 EEADMM Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CCN(CCC(=O)[O-])C1=O ZINC001607527299 1351511043 /nfs/dbraw/zinc/51/10/43/1351511043.db2.gz RSXNGQPEBOWYPT-OCCSQVGLSA-N -1 1 330.384 2.467 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001607740277 1351549628 /nfs/dbraw/zinc/54/96/28/1351549628.db2.gz LTHRTPWIFBXOHJ-HZSPNIEDSA-N -1 1 333.432 2.045 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001607740277 1351549633 /nfs/dbraw/zinc/54/96/33/1351549633.db2.gz LTHRTPWIFBXOHJ-HZSPNIEDSA-N -1 1 333.432 2.045 20 0 EEADMM Cc1ccc(CN(CCO)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)o1 ZINC001607778324 1351557103 /nfs/dbraw/zinc/55/71/03/1351557103.db2.gz STIVPBROJFPSDM-CQSZACIVSA-N -1 1 333.384 2.434 20 0 EEADMM Cc1ccc2c(cnn2CN2CCC(C3OCCO3)CC2)c1C(=O)[O-] ZINC001607832496 1351567377 /nfs/dbraw/zinc/56/73/77/1351567377.db2.gz WXMZCBHZNFSCSQ-UHFFFAOYSA-N -1 1 345.399 2.085 20 0 EEADMM Cc1nn(-c2cccc(C)c2)cc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001607836922 1351568967 /nfs/dbraw/zinc/56/89/67/1351568967.db2.gz NVHZBWBKWLNSKD-SFHVURJKSA-N -1 1 343.427 2.147 20 0 EEADMM Cc1cccn2cc(CN3CC[C@H](C(=O)[O-])C[C@H]3[C@H]3CCCO3)nc12 ZINC001607887957 1351579856 /nfs/dbraw/zinc/57/98/56/1351579856.db2.gz YPVLWLZWLNNXJP-BHYGNILZSA-N -1 1 343.427 2.487 20 0 EEADMM Cc1oc(CN[C@H](COC(N)=O)Cc2ccccc2)cc1C(=O)[O-] ZINC001608051262 1351614538 /nfs/dbraw/zinc/61/45/38/1351614538.db2.gz POEPPZMBSFWQPP-ZDUSSCGKSA-N -1 1 332.356 2.496 20 0 EEADMM NCc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001608257834 1351657391 /nfs/dbraw/zinc/65/73/91/1351657391.db2.gz PQHVXZAVWGYOFU-CYBMUJFWSA-N -1 1 328.368 2.286 20 0 EEADMM O=C([O-])c1cc2cccc(NC(=O)CCCc3nn[nH]n3)c2s1 ZINC001608306702 1351667791 /nfs/dbraw/zinc/66/77/91/1351667791.db2.gz PRXPXWQCSWZBPF-UHFFFAOYSA-N -1 1 331.357 2.074 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)OC(=O)Cc1n[nH]c2c1CCCC2 ZINC001608371976 1351680965 /nfs/dbraw/zinc/68/09/65/1351680965.db2.gz BYGAONAFHPWPDY-INIZCTEOSA-N -1 1 328.368 2.070 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)CSc1nccn1Cc1ccccc1 ZINC001625353901 1352447150 /nfs/dbraw/zinc/44/71/50/1352447150.db2.gz BJNUQKCOAHTFQK-UHFFFAOYSA-N -1 1 343.412 2.399 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c(F)cccc1-n1cccn1 ZINC001626458745 1352464000 /nfs/dbraw/zinc/46/40/00/1352464000.db2.gz WXDLGPJMVZDOLN-UHFFFAOYSA-N -1 1 340.240 2.401 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N1CC[C@@H](n2cccn2)C1 ZINC001626686790 1352470657 /nfs/dbraw/zinc/47/06/57/1352470657.db2.gz YRWMJVPPPDAMKW-OAHLLOKOSA-N -1 1 338.371 2.253 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cnc2nccn2c1 ZINC001628072427 1352519563 /nfs/dbraw/zinc/51/95/63/1352519563.db2.gz RRSQJRFTTCLHFG-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM Cc1c(NC(=O)c2ccc([O-])c(F)c2)nnn1Cc1ccncc1 ZINC001628392472 1352532708 /nfs/dbraw/zinc/53/27/08/1352532708.db2.gz OYDZLMNKJWNFRQ-UHFFFAOYSA-N -1 1 327.319 2.127 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(-c3cc[nH]n3)s2)n1 ZINC001629328527 1352552286 /nfs/dbraw/zinc/55/22/86/1352552286.db2.gz HDFIZBNCGONLBV-UHFFFAOYSA-N -1 1 331.357 2.290 20 0 EEADMM O=C(NCc1nc(-c2ccccc2)no1)c1cnc(C2CC2)[n-]c1=O ZINC001638276614 1352686615 /nfs/dbraw/zinc/68/66/15/1352686615.db2.gz PCTMMHYVKPZNKH-UHFFFAOYSA-N -1 1 337.339 2.040 20 0 EEADMM COc1cccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c1OC ZINC000056118672 1352715834 /nfs/dbraw/zinc/71/58/34/1352715834.db2.gz VRWRAUCTHSZHGA-UHFFFAOYSA-N -1 1 343.351 2.461 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1c[nH]nc1-c1ccccc1 ZINC001642558221 1352733751 /nfs/dbraw/zinc/73/37/51/1352733751.db2.gz PHKAHRYEDKERSY-MRXNPFEDSA-N -1 1 345.366 2.109 20 0 EEADMM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000062187910 1352870408 /nfs/dbraw/zinc/87/04/08/1352870408.db2.gz ZEQCPTMHVMPRQL-UHFFFAOYSA-N -1 1 343.792 2.267 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001646971900 1353082693 /nfs/dbraw/zinc/08/26/93/1353082693.db2.gz PSZUTKXRADQUKV-UHFFFAOYSA-N -1 1 328.372 2.302 20 0 EEADMM Cc1noc(C)c1C(C)(C)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001647172271 1353175000 /nfs/dbraw/zinc/17/50/00/1353175000.db2.gz ANPWDDIJAMXXAN-UHFFFAOYSA-N -1 1 333.340 2.406 20 0 EEADMM Cc1sc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)nc1[O-] ZINC001650552681 1353988266 /nfs/dbraw/zinc/98/82/66/1353988266.db2.gz YAIMRXIRCFEJRQ-UHFFFAOYSA-N -1 1 333.291 2.133 20 0 EEADMM Cc1cc(F)cc(-n2nc(C(=O)Nc3c[n-][nH]c3=O)c3c2CCC3)c1 ZINC001651044116 1354037705 /nfs/dbraw/zinc/03/77/05/1354037705.db2.gz AHOMCHQYGFRRHU-UHFFFAOYSA-N -1 1 341.346 2.490 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)C1(C)CCCC1 ZINC001388856513 1387755072 /nfs/dbraw/zinc/75/50/72/1387755072.db2.gz UOGYHDCPINNERK-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1CNC(=O)C2 ZINC001185836543 1368171469 /nfs/dbraw/zinc/17/14/69/1368171469.db2.gz KUGQBRFMISBLJA-UHFFFAOYSA-N -1 1 334.372 2.107 20 0 EEADMM Cc1cc(F)ncc1NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196721799 1368606753 /nfs/dbraw/zinc/60/67/53/1368606753.db2.gz UPDZYJKOOUHVGW-UHFFFAOYSA-N -1 1 329.378 2.214 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C1(F)CCCC1)NC(=O)c1ncccc1[O-] ZINC001488777898 1369066797 /nfs/dbraw/zinc/06/67/97/1369066797.db2.gz CHPGXUMYQRWIAH-NEPJUHHUSA-N -1 1 337.395 2.083 20 0 EEADMM CC(C)c1noc(COC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000858999852 1369428152 /nfs/dbraw/zinc/42/81/52/1369428152.db2.gz QVPMQVJTPSACFX-UHFFFAOYSA-N -1 1 328.328 2.441 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001071274543 1370453994 /nfs/dbraw/zinc/45/39/94/1370453994.db2.gz BVLOIVDSXWMSGL-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CCCC1(C(=O)N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)CCC1 ZINC001071952323 1370585862 /nfs/dbraw/zinc/58/58/62/1370585862.db2.gz KSVZQJYOPUSSLS-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CCCCOC(=O)C[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000830550633 1372335486 /nfs/dbraw/zinc/33/54/86/1372335486.db2.gz ZAHHPOISFIRCMN-UHFFFAOYSA-N -1 1 337.800 2.242 20 0 EEADMM O=C(/C=C\Sc1ccccc1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831117012 1372363899 /nfs/dbraw/zinc/36/38/99/1372363899.db2.gz IMPIHBOLURYRMC-SREVYHEPSA-N -1 1 344.358 2.429 20 0 EEADMM COc1ccc(CNC(=S)NCC(=O)c2ccc([O-])cc2)cc1 ZINC001200370811 1373005812 /nfs/dbraw/zinc/00/58/12/1373005812.db2.gz GEVIIJQNEZTULX-UHFFFAOYSA-N -1 1 330.409 2.248 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(Cl)no1 ZINC001362219252 1373378783 /nfs/dbraw/zinc/37/87/83/1373378783.db2.gz GQAYFQLAFSXVMB-UHFFFAOYSA-N -1 1 333.728 2.091 20 0 EEADMM CCC(CC)(NC(=O)COC[C@@H](C)c1ccccc1)c1nn[n-]n1 ZINC001363133961 1373486458 /nfs/dbraw/zinc/48/64/58/1373486458.db2.gz CXDMJZRRCZPNGV-CYBMUJFWSA-N -1 1 331.420 2.152 20 0 EEADMM O=C(CCC1CCCC1)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001389817291 1388313412 /nfs/dbraw/zinc/31/34/12/1388313412.db2.gz BKGKGJXMRZERIO-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])c(C)s1 ZINC001370466978 1374952151 /nfs/dbraw/zinc/95/21/51/1374952151.db2.gz BZNJUGZDTYCYEO-JTQLQIEISA-N -1 1 347.440 2.356 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001371272295 1375342857 /nfs/dbraw/zinc/34/28/57/1375342857.db2.gz ZYSCLEGAGQGYNN-QWRGUYRKSA-N -1 1 331.372 2.016 20 0 EEADMM O=C(NCCN(Cc1cc(F)ccc1F)C1CC1)c1ncccc1[O-] ZINC001372791101 1376210851 /nfs/dbraw/zinc/21/08/51/1376210851.db2.gz WNMCPDMUUZQJMY-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM C=Cc1ccc(C(=O)NC[C@@H](CC)NC(=O)c2ncccc2[O-])cc1 ZINC001375251551 1377542163 /nfs/dbraw/zinc/54/21/63/1377542163.db2.gz KFNQDNOVYKHZFJ-OAHLLOKOSA-N -1 1 339.395 2.369 20 0 EEADMM CCCN(CCNC(=O)C(C)C)Cc1nc(=O)c2sccc2[n-]1 ZINC001377483314 1379284509 /nfs/dbraw/zinc/28/45/09/1379284509.db2.gz MNDJDJMYQMFWLZ-UHFFFAOYSA-N -1 1 336.461 2.381 20 0 EEADMM Cc1scc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001380691759 1381341787 /nfs/dbraw/zinc/34/17/87/1381341787.db2.gz MFZSZEHBSRFXEZ-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001384086360 1382790678 /nfs/dbraw/zinc/79/06/78/1382790678.db2.gz DNOLPTOCGBZLLR-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(NCCC1CCN(C(=O)C2=CCCC2)CC1)c1ncccc1[O-] ZINC001390908394 1388867697 /nfs/dbraw/zinc/86/76/97/1388867697.db2.gz QWWPRXOQQOOVKS-UHFFFAOYSA-N -1 1 343.427 2.256 20 0 EEADMM CCCC[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001385480367 1385609777 /nfs/dbraw/zinc/60/97/77/1385609777.db2.gz AIJDFWHQXYQGDA-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(CC1CCCCC1)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385865797 1385878230 /nfs/dbraw/zinc/87/82/30/1385878230.db2.gz OAQBXBWSIDKPHU-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001386003542 1385952907 /nfs/dbraw/zinc/95/29/07/1385952907.db2.gz IXVBPKRSJJPXME-OKILXGFUSA-N -1 1 331.416 2.039 20 0 EEADMM C[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001386960937 1386417552 /nfs/dbraw/zinc/41/75/52/1386417552.db2.gz GTCNXBDVWNFPFR-CHWSQXEVSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CC1(C(=O)NCCN(C)C(=O)c2ncccc2[O-])CCC1 ZINC001387017699 1386451778 /nfs/dbraw/zinc/45/17/78/1386451778.db2.gz AEIPDMYWGSNICF-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001387563044 1386844758 /nfs/dbraw/zinc/84/47/58/1386844758.db2.gz RBJDIPRQZLYILM-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CN(CCNC(=O)c1csc(Cl)c1)C(=O)c1ncccc1[O-] ZINC001387730293 1386963822 /nfs/dbraw/zinc/96/38/22/1386963822.db2.gz XKJSRQIFMVSFAL-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM C[C@H](CN(C)Cc1ncc(C(C)(C)C)o1)NC(=O)c1ncccc1[O-] ZINC001392643508 1390133095 /nfs/dbraw/zinc/13/30/95/1390133095.db2.gz KBJHXSGVRGZUSP-GFCCVEGCSA-N -1 1 346.431 2.323 20 0 EEADMM CCCCC(=O)NC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001393766085 1390533469 /nfs/dbraw/zinc/53/34/69/1390533469.db2.gz YGHVXLSAJZPTPU-UHFFFAOYSA-N -1 1 348.447 2.183 20 0 EEADMM CCC(CC)[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395559193 1390838098 /nfs/dbraw/zinc/83/80/98/1390838098.db2.gz GMZPDGDOMGBCNQ-OLZOCXBDSA-N -1 1 335.448 2.436 20 0 EEADMM CC1(CCC(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001396553490 1390955466 /nfs/dbraw/zinc/95/54/66/1390955466.db2.gz FEPZNNNHXMJNTM-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCC2)[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001396561863 1390956239 /nfs/dbraw/zinc/95/62/39/1390956239.db2.gz CADYCRKERBTGJN-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@H](CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001397105048 1391082721 /nfs/dbraw/zinc/08/27/21/1391082721.db2.gz MWYLQLAYQBTUIG-SOUVJXGZSA-N -1 1 345.443 2.429 20 0 EEADMM C[C@H](CNC(=O)CCCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001397480730 1391255567 /nfs/dbraw/zinc/25/55/67/1391255567.db2.gz RGZQCMKWSXHEMC-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1csc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])c1 ZINC001397764997 1391472347 /nfs/dbraw/zinc/47/23/47/1391472347.db2.gz JXQGQHBMKCSTHC-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CCCC1 ZINC001400248632 1396107069 /nfs/dbraw/zinc/10/70/69/1396107069.db2.gz PMLPLHUKFRXBFE-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CCC1CC1 ZINC001400344207 1396215480 /nfs/dbraw/zinc/21/54/80/1396215480.db2.gz COCYTDYSCVBKNY-HUUCEWRRSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)CCC2CC2)cc1 ZINC001402494508 1398020966 /nfs/dbraw/zinc/02/09/66/1398020966.db2.gz LDRUDWXSJFEBBK-LBPRGKRZSA-N -1 1 343.431 2.168 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C)cc1F ZINC001422692574 1400130793 /nfs/dbraw/zinc/13/07/93/1400130793.db2.gz ZALWRMFHCQJFOQ-GFCCVEGCSA-N -1 1 349.410 2.036 20 0 EEADMM CC(C)c1noc([C@@H](C)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001423064715 1400394075 /nfs/dbraw/zinc/39/40/75/1400394075.db2.gz YTOKESJEHWCSLI-NWDGAFQWSA-N -1 1 347.419 2.105 20 0 EEADMM CCCN(C)c1ccccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001426108592 1401884654 /nfs/dbraw/zinc/88/46/54/1401884654.db2.gz UNTYJAJHRDFXNJ-UHFFFAOYSA-N -1 1 343.435 2.457 20 0 EEADMM CCCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001426485710 1402065006 /nfs/dbraw/zinc/06/50/06/1402065006.db2.gz OPPVECPFLLUTCQ-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-])C1CCC1 ZINC001426523415 1402081364 /nfs/dbraw/zinc/08/13/64/1402081364.db2.gz OGCMFZKQWYPXNN-CYBMUJFWSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1ccc(F)c(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])c1 ZINC001426855226 1402229298 /nfs/dbraw/zinc/22/92/98/1402229298.db2.gz GTUPBWYBKHNBPW-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCCCC(=O)NC[C@@H](C)N(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001428631319 1402770758 /nfs/dbraw/zinc/77/07/58/1402770758.db2.gz JQDOUKPLRDCMCY-GFCCVEGCSA-N -1 1 348.447 2.217 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)N(C)CCNC(=O)c2ncccc2[O-])cc1 ZINC001429226858 1402934571 /nfs/dbraw/zinc/93/45/71/1402934571.db2.gz NNZWWKIVUDAGCN-CQSZACIVSA-N -1 1 341.411 2.088 20 0 EEADMM CC1=C(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)SCCO1 ZINC001433846508 1403439105 /nfs/dbraw/zinc/43/91/05/1403439105.db2.gz IAHLGGLTUFYRSS-UHFFFAOYSA-N -1 1 346.405 2.131 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC001576348505 1403567264 /nfs/dbraw/zinc/56/72/64/1403567264.db2.gz WDWZPXXVASRLOW-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC001576348505 1403567268 /nfs/dbraw/zinc/56/72/68/1403567268.db2.gz WDWZPXXVASRLOW-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001576571125 1403584562 /nfs/dbraw/zinc/58/45/62/1403584562.db2.gz DWKKRONLNROFQZ-GXSJLCMTSA-N -1 1 349.464 2.081 20 0 EEADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577500087 1403659587 /nfs/dbraw/zinc/65/95/87/1403659587.db2.gz SANCYUTYFBDCQJ-YPMHNXCESA-N -1 1 344.419 2.364 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2cccc3c2CCCN3)c1 ZINC001579230431 1403780145 /nfs/dbraw/zinc/78/01/45/1403780145.db2.gz LXKBSHNZRFDQSK-UHFFFAOYSA-N -1 1 348.424 2.237 20 0 EEADMM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001579984468 1403803295 /nfs/dbraw/zinc/80/32/95/1403803295.db2.gz COZBSMDIMAHUMZ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM C[S@@](=N)(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001580151877 1403836642 /nfs/dbraw/zinc/83/66/42/1403836642.db2.gz DNCHXBLTDDOJJS-HSZRJFAPSA-N -1 1 348.413 2.216 20 0 EEADMM C[S@@](=N)(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001580151877 1403836650 /nfs/dbraw/zinc/83/66/50/1403836650.db2.gz DNCHXBLTDDOJJS-HSZRJFAPSA-N -1 1 348.413 2.216 20 0 EEADMM CCc1[n-]n(-c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)c(=O)c1F ZINC001590500185 1403881650 /nfs/dbraw/zinc/88/16/50/1403881650.db2.gz PAYAOHMVFVDWPP-JTQLQIEISA-N -1 1 342.256 2.336 20 0 EEADMM CCOc1ccc(CCNC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001590835304 1403901284 /nfs/dbraw/zinc/90/12/84/1403901284.db2.gz AGIBKJPFIJFNEW-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM CCOc1ccc(CCNC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001590835304 1403901286 /nfs/dbraw/zinc/90/12/86/1403901286.db2.gz AGIBKJPFIJFNEW-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM COCc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1OC ZINC001591455424 1403913545 /nfs/dbraw/zinc/91/35/45/1403913545.db2.gz CXQKTYCDYQFJOQ-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM COCc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1OC ZINC001591455424 1403913550 /nfs/dbraw/zinc/91/35/50/1403913550.db2.gz CXQKTYCDYQFJOQ-UHFFFAOYSA-N -1 1 345.384 2.336 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC001591895788 1403969447 /nfs/dbraw/zinc/96/94/47/1403969447.db2.gz DKQDXJJZJDIGCK-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC001591895788 1403969452 /nfs/dbraw/zinc/96/94/52/1403969452.db2.gz DKQDXJJZJDIGCK-MRXNPFEDSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(F)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001591986854 1403980039 /nfs/dbraw/zinc/98/00/39/1403980039.db2.gz 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CC(C)C[C@@H](C(=O)Nc1ccncc1[O-])N(C)C(=O)OC(C)(C)C ZINC001638304595 1404814927 /nfs/dbraw/zinc/81/49/27/1404814927.db2.gz RCSUIHNMHBGNAP-ZDUSSCGKSA-N -1 1 337.420 2.429 20 0 EEADMM C[C@H](C[N-]C(=O)C(F)F)N(C)C(=O)c1cc(F)c(F)c(F)c1F ZINC001755999204 1408068115 /nfs/dbraw/zinc/06/81/15/1408068115.db2.gz MQXPMEBESPHHBO-RXMQYKEDSA-N -1 1 342.239 2.085 20 0 EEADMM COc1ccccc1C1(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCC1 ZINC001771692274 1409915771 /nfs/dbraw/zinc/91/57/71/1409915771.db2.gz UZIZPWPJYYVPBD-UHFFFAOYSA-N -1 1 336.395 2.411 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn(C3CCCC3)c2C)n1 ZINC001771763992 1409944146 /nfs/dbraw/zinc/94/41/46/1409944146.db2.gz ZPDFKQGHXQNPTK-UHFFFAOYSA-N -1 1 331.376 2.459 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccn(CC(F)(F)F)n1 ZINC001772127165 1410054761 /nfs/dbraw/zinc/05/47/61/1410054761.db2.gz JTSFUBJNJLKOBJ-UHFFFAOYSA-N -1 1 341.293 2.072 20 0 EEADMM Cc1c[nH]c([C@@]2(NC(=O)c3ncc4ccccc4c3[O-])CCOC2)n1 ZINC000854999815 1410392499 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CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC000942751719 783112540 /nfs/dbraw/zinc/11/25/40/783112540.db2.gz HAZGGOSJMVFBQR-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000942758559 783147272 /nfs/dbraw/zinc/14/72/72/783147272.db2.gz OOHIUSSMZPLTRF-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000938555736 774115035 /nfs/dbraw/zinc/11/50/35/774115035.db2.gz RGPZIHMCSWQEDK-HNNXBMFYSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000980339615 774370871 /nfs/dbraw/zinc/37/08/71/774370871.db2.gz FOFUETNISMNBQN-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(C(=O)[C@@H]1CC12CCC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942792823 783214367 /nfs/dbraw/zinc/21/43/67/783214367.db2.gz PBISLNAFCYNJAJ-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C([N-][C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1)C(F)F ZINC000939015411 775228866 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CSc1nc(C)c(CCC(=O)N2C[C@H](C)Cn3nccc32)c(=O)[n-]1 ZINC000893903002 780284400 /nfs/dbraw/zinc/28/44/00/780284400.db2.gz RSFFIQVYTWCYTP-JTQLQIEISA-N -1 1 347.444 2.025 20 0 EEADMM CN(CCN(C)c1ccnc(C(C)(C)C)n1)C(=O)c1ncccc1[O-] ZINC001105376202 781071620 /nfs/dbraw/zinc/07/16/20/781071620.db2.gz JTEGSLFXMZOIBW-UHFFFAOYSA-N -1 1 343.431 2.083 20 0 EEADMM Cc1ccc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)nn1 ZINC001063364902 790850533 /nfs/dbraw/zinc/85/05/33/790850533.db2.gz OEMFZELAWITHTC-JOCQHMNTSA-N -1 1 327.388 2.039 20 0 EEADMM O=C(NCC[S@@](=O)Cc1ccccc1)c1c(F)ccc([O-])c1F ZINC000809672552 783297676 /nfs/dbraw/zinc/29/76/76/783297676.db2.gz DUDNJTWSSRDBON-HSZRJFAPSA-N -1 1 339.363 2.349 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)N(C)C ZINC000816110468 783701314 /nfs/dbraw/zinc/70/13/14/783701314.db2.gz AFLHTRQKGMAJMU-HOTGVXAUSA-N -1 1 340.489 2.416 20 0 EEADMM O=C(NC[C@@H]1C[N@H+](CCCC2CCCC2)CCO1)c1ncccc1O ZINC001035342634 784367711 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COc1ccc([C@H]2[C@@H](C(=O)[N-]OCCC3CC3)CCC(=O)N2C)cc1 ZINC000817445939 784787331 /nfs/dbraw/zinc/78/73/31/784787331.db2.gz CKJQORWWSVCQRA-WMZOPIPTSA-N -1 1 346.427 2.453 20 0 EEADMM C[C@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945757898 784832251 /nfs/dbraw/zinc/83/22/51/784832251.db2.gz VVGJHXTYBGAAOM-ZFWWWQNUSA-N -1 1 343.427 2.254 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000946026627 785318925 /nfs/dbraw/zinc/31/89/25/785318925.db2.gz ZLUPZSWRABWOJP-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])c1cccs1 ZINC000946112435 785577227 /nfs/dbraw/zinc/57/72/27/785577227.db2.gz PUNVQBNGHFXQIX-VXGBXAGGSA-N -1 1 345.424 2.177 20 0 EEADMM CC(C)Oc1cccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000908719279 785647386 /nfs/dbraw/zinc/64/73/86/785647386.db2.gz NZTJXUFRNJCHSO-GDBMZVCRSA-N -1 1 348.443 2.448 20 0 EEADMM CCCN1C[C@H](C(=O)Nc2cccc([O-])c2Br)CC1=O ZINC000908707515 785660233 /nfs/dbraw/zinc/66/02/33/785660233.db2.gz KAOKABUDHANKPV-SECBINFHSA-N -1 1 341.205 2.352 20 0 EEADMM CCCN(C(=O)NC[C@H](c1cccs1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908747143 785685964 /nfs/dbraw/zinc/68/59/64/785685964.db2.gz OAMXKASHFNQAIA-NWDGAFQWSA-N -1 1 327.450 2.246 20 0 EEADMM CCCN(C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)[C@H](C)C(=O)[O-] ZINC000908818834 785754767 /nfs/dbraw/zinc/75/47/67/785754767.db2.gz IIXNRNYLQSPRSU-IUODEOHRSA-N -1 1 339.411 2.323 20 0 EEADMM CC(C)(C(=O)N1C[C@H](NCc2n[nH]c(=O)[n-]2)C(C)(C)C1)C1CCCC1 ZINC000995930877 785828875 /nfs/dbraw/zinc/82/88/75/785828875.db2.gz XXNCCUSDMFEZCI-ZDUSSCGKSA-N -1 1 349.479 2.053 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OC2CCC(OC)CC2)c1 ZINC000820251225 785842426 /nfs/dbraw/zinc/84/24/26/785842426.db2.gz PFPDIGRVNDJQRK-ZFPHJIABSA-N -1 1 326.414 2.304 20 0 EEADMM CC[C@](C)(NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000909123032 786005701 /nfs/dbraw/zinc/00/57/01/786005701.db2.gz SZYNAAFQDNPQJC-CJNGLKHVSA-N -1 1 341.839 2.495 20 0 EEADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])C1 ZINC000996225451 786149216 /nfs/dbraw/zinc/14/92/16/786149216.db2.gz ABHLTSSDFCKXQB-RDBSUJKOSA-N -1 1 343.427 2.085 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)C1 ZINC000909735249 786208659 /nfs/dbraw/zinc/20/86/59/786208659.db2.gz WWNDJDNNZGSOTJ-IAQYHMDHSA-N -1 1 345.374 2.328 20 0 EEADMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000909859794 786289633 /nfs/dbraw/zinc/28/96/33/786289633.db2.gz MVAQSOOZVWYVRJ-SSDOTTSWSA-N -1 1 339.196 2.291 20 0 EEADMM COCCCNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909863206 786319203 /nfs/dbraw/zinc/31/92/03/786319203.db2.gz PKZULXYBPBNZOT-UHFFFAOYSA-N -1 1 336.171 2.009 20 0 EEADMM CC(C)(c1ccccc1)C1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000909931266 786344856 /nfs/dbraw/zinc/34/48/56/786344856.db2.gz AUSGGCLZABMLTN-OAHLLOKOSA-N -1 1 344.455 2.410 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000910017354 786406598 /nfs/dbraw/zinc/40/65/98/786406598.db2.gz HBKLDAFAIHLKMG-AEGPPILISA-N -1 1 336.819 2.109 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc3cc(O)ccc32)CC1 ZINC000910169861 786493412 /nfs/dbraw/zinc/49/34/12/786493412.db2.gz GPIPJTBUIAQPPL-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2cc(C)sn2)c1 ZINC000820889453 786516292 /nfs/dbraw/zinc/51/62/92/786516292.db2.gz JOXKSFJKBSVNNB-OAQYLSRUSA-N -1 1 325.411 2.311 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910251430 786580979 /nfs/dbraw/zinc/58/09/79/786580979.db2.gz SMPJSYLXJWWSJB-GOEBONIOSA-N -1 1 348.443 2.401 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(F)c(F)cc1F ZINC000821177727 786646485 /nfs/dbraw/zinc/64/64/85/786646485.db2.gz IRGLASATXRAGMZ-UHFFFAOYSA-N -1 1 328.337 2.022 20 0 EEADMM CN(C)CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910951996 787132439 /nfs/dbraw/zinc/13/24/39/787132439.db2.gz OGGKUQCSWCPCDN-UHFFFAOYSA-N -1 1 329.400 2.134 20 0 EEADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])n1nnnc1C(C)(C)C ZINC000910983432 787162790 /nfs/dbraw/zinc/16/27/90/787162790.db2.gz QSVUROLKXHHUJU-ZETCQYMHSA-N -1 1 325.319 2.154 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C(=O)c1cc(C(F)F)[nH]n1)C2 ZINC000911027902 787183043 /nfs/dbraw/zinc/18/30/43/787183043.db2.gz JFZIPFLHDOYTBG-UHFFFAOYSA-N -1 1 337.282 2.080 20 0 EEADMM CCN(C)[C@@H](C(=O)NCCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000911001105 787184962 /nfs/dbraw/zinc/18/49/62/787184962.db2.gz QYFFIVLOANZJBA-OAHLLOKOSA-N -1 1 347.440 2.193 20 0 EEADMM CCN(C(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911166922 787284541 /nfs/dbraw/zinc/28/45/41/787284541.db2.gz VUIAEGHFDKQBHI-CQSZACIVSA-N -1 1 343.383 2.109 20 0 EEADMM CC[N@H+]1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1cc(C(C)C)on1 ZINC000911290824 787359561 /nfs/dbraw/zinc/35/95/61/787359561.db2.gz NVTSFMYTBNSXAG-CYBMUJFWSA-N -1 1 337.420 2.199 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107530347 787512326 /nfs/dbraw/zinc/51/23/26/787512326.db2.gz MTXJDKQZUAYOAS-FZKQIMNGSA-N -1 1 349.479 2.197 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000823294733 787682433 /nfs/dbraw/zinc/68/24/33/787682433.db2.gz PFWZQFTWEMELBW-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM CC(C)[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C1(CO)CCCC1 ZINC000911996155 787883188 /nfs/dbraw/zinc/88/31/88/787883188.db2.gz MBKGCQWTHYLXEU-AWEZNQCLSA-N -1 1 333.432 2.367 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC000824080118 788042761 /nfs/dbraw/zinc/04/27/61/788042761.db2.gz UTJRAISCRGCHET-HTQZYQBOSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC000824080118 788042771 /nfs/dbraw/zinc/04/27/71/788042771.db2.gz UTJRAISCRGCHET-HTQZYQBOSA-N -1 1 342.856 2.210 20 0 EEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc4c[nH]nc4c3)ccc2o1 ZINC000044253660 788253381 /nfs/dbraw/zinc/25/33/81/788253381.db2.gz PHNCGUYUAAWPMT-UHFFFAOYSA-N -1 1 341.348 2.470 20 0 EEADMM CSCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1nn[n-]n1 ZINC000912859858 788416445 /nfs/dbraw/zinc/41/64/45/788416445.db2.gz GRLMGCHYVHIWGO-AWEZNQCLSA-N -1 1 344.444 2.224 20 0 EEADMM CSCC[C@H](NC(=O)CCc1cc(Cl)cs1)c1nn[n-]n1 ZINC000912861107 788419810 /nfs/dbraw/zinc/41/98/10/788419810.db2.gz DCCMLONLCAEGGF-JTQLQIEISA-N -1 1 345.881 2.458 20 0 EEADMM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912863470 788426585 /nfs/dbraw/zinc/42/65/85/788426585.db2.gz ZAGXOAPXYZMNIL-YUMQZZPRSA-N -1 1 325.360 2.089 20 0 EEADMM CCC[C@@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825248171 788533227 /nfs/dbraw/zinc/53/32/27/788533227.db2.gz PWDKOZYYWJRQLQ-INIZCTEOSA-N -1 1 332.408 2.134 20 0 EEADMM CCC[C@@]1(C)CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825248171 788533250 /nfs/dbraw/zinc/53/32/50/788533250.db2.gz PWDKOZYYWJRQLQ-INIZCTEOSA-N -1 1 332.408 2.134 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CNc1cncc(Cl)n1 ZINC001060242567 788723557 /nfs/dbraw/zinc/72/35/57/788723557.db2.gz XAOKJIOBJNXBBL-LLVKDONJSA-N -1 1 347.806 2.337 20 0 EEADMM COc1ccc([C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C2CC2)cn1 ZINC000913354786 788810723 /nfs/dbraw/zinc/81/07/23/788810723.db2.gz XIUUBGGTPLCRSM-HNNXBMFYSA-N -1 1 340.383 2.344 20 0 EEADMM CCON(C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC000844079019 788828914 /nfs/dbraw/zinc/82/89/14/788828914.db2.gz PTWFJTIUKBFFQS-UHFFFAOYSA-N -1 1 330.388 2.284 20 0 EEADMM C[C@@H](CC(=O)N1CCOC[C@@H]1c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC000913495613 788930315 /nfs/dbraw/zinc/93/03/15/788930315.db2.gz LWSDCTQZAYXIRW-BXUZGUMPSA-N -1 1 349.822 2.022 20 0 EEADMM O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495415 788930376 /nfs/dbraw/zinc/93/03/76/788930376.db2.gz XXGOPNVMNVQODO-BRWVUGGUSA-N -1 1 349.394 2.057 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001005959650 789047746 /nfs/dbraw/zinc/04/77/46/789047746.db2.gz SEEJUNPPQGFZIM-NEPJUHHUSA-N -1 1 333.432 2.046 20 0 EEADMM CC(C)c1cnc(CNC2CC(CNC(=O)c3ncccc3[O-])C2)o1 ZINC001090996696 789276123 /nfs/dbraw/zinc/27/61/23/789276123.db2.gz QECUETYUFFAMAZ-UHFFFAOYSA-N -1 1 344.415 2.197 20 0 EEADMM O=C([O-])c1ccccc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000386911092 789324809 /nfs/dbraw/zinc/32/48/09/789324809.db2.gz HJIDABJJROQRDX-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)c1 ZINC001144302786 789530239 /nfs/dbraw/zinc/53/02/39/789530239.db2.gz GOVSLSXXARLIDP-WOPDTQHZSA-N -1 1 338.429 2.065 20 0 EEADMM Cc1cccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CCC2)c1 ZINC001062839054 789938347 /nfs/dbraw/zinc/93/83/47/789938347.db2.gz FWTSDLRXMOVGFM-UHFFFAOYSA-N -1 1 339.395 2.178 20 0 EEADMM Cc1ccccc1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839240 789938673 /nfs/dbraw/zinc/93/86/73/789938673.db2.gz JCIPERIVBRDWGS-UHFFFAOYSA-N -1 1 339.395 2.178 20 0 EEADMM CCc1occc1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839542 789939061 /nfs/dbraw/zinc/93/90/61/789939061.db2.gz UYQYBEAPLIMZIP-UHFFFAOYSA-N -1 1 343.383 2.025 20 0 EEADMM Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])co1 ZINC000946191535 790043426 /nfs/dbraw/zinc/04/34/26/790043426.db2.gz FEZWSDXBBIKBGM-OCCSQVGLSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1nc(Cl)cc(NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821916 806045432 /nfs/dbraw/zinc/04/54/32/806045432.db2.gz ULBPSZDGXIGLTK-NSHDSACASA-N -1 1 347.806 2.160 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-])c1ccoc1 ZINC000946361485 791369198 /nfs/dbraw/zinc/36/91/98/791369198.db2.gz NSEKGOAXPWTJNY-GXTWGEPZSA-N -1 1 343.383 2.099 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)c1cccc(C)n1)c1ccccc1N ZINC001147220785 791759828 /nfs/dbraw/zinc/75/98/28/791759828.db2.gz PARZAOKATGAHMA-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)c1cccc(C)n1)c1ccccc1N ZINC001147220785 791759831 /nfs/dbraw/zinc/75/98/31/791759831.db2.gz PARZAOKATGAHMA-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1CCNc1ncccn1 ZINC001063832275 791801992 /nfs/dbraw/zinc/80/19/92/791801992.db2.gz FHXZZMLBPMMEPF-ZDUSSCGKSA-N -1 1 327.388 2.074 20 0 EEADMM Cc1nsc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879454 791874090 /nfs/dbraw/zinc/87/40/90/791874090.db2.gz BWTPYNBHHMJTTO-ZYHUDNBSSA-N -1 1 347.444 2.300 20 0 EEADMM COc1ccc(NC(=O)C[C@@H](C)C2CC2)cc1[N-]S(C)(=O)=O ZINC000063683295 791918269 /nfs/dbraw/zinc/91/82/69/791918269.db2.gz KWZBBPOKIPWHBU-SNVBAGLBSA-N -1 1 326.418 2.441 20 0 EEADMM Cc1ncc(CO)c(C(=O)N[C@@H](c2cncc(F)c2)C2CC2)c1[O-] ZINC001147848012 792006198 /nfs/dbraw/zinc/00/61/98/792006198.db2.gz CLTSCRCFJNQAEB-OAHLLOKOSA-N -1 1 331.347 2.003 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@@H](CCN2c2cccc(F)n2)C1 ZINC001064013603 792242734 /nfs/dbraw/zinc/24/27/34/792242734.db2.gz NZOYVEXUXNPWES-QWHCGFSZSA-N -1 1 342.374 2.062 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992054483 792483960 /nfs/dbraw/zinc/48/39/60/792483960.db2.gz PYASHAFJXQZMJW-RUXDESIVSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H]1OCC[C@H]1CNC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148990225 792848887 /nfs/dbraw/zinc/84/88/87/792848887.db2.gz QPKUOAFPAATKRF-SFYZADRCSA-N -1 1 330.178 2.015 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000151654657 794054413 /nfs/dbraw/zinc/05/44/13/794054413.db2.gz NURAMDZJURWYOU-UHFFFAOYSA-N -1 1 343.811 2.489 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742709 794202823 /nfs/dbraw/zinc/20/28/23/794202823.db2.gz QIABUISCRFQMDY-UHFFFAOYSA-N -1 1 329.335 2.413 20 0 EEADMM O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743076 794204483 /nfs/dbraw/zinc/20/44/83/794204483.db2.gz DLENZMWZOABABR-WDEREUQCSA-N -1 1 331.342 2.274 20 0 EEADMM CCc1nocc1CN1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000993250435 796171345 /nfs/dbraw/zinc/17/13/45/796171345.db2.gz PZVMMDGFAGTQBX-IUODEOHRSA-N -1 1 344.415 2.121 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC000993339451 796427338 /nfs/dbraw/zinc/42/73/38/796427338.db2.gz WUUOQNDBASCMLJ-YJYMSZOUSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C1CC1 ZINC001002189842 797672345 /nfs/dbraw/zinc/67/23/45/797672345.db2.gz VKOKVRZKDGXALV-MCIONIFRSA-N -1 1 343.427 2.085 20 0 EEADMM CCC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)CCC1 ZINC001002188734 797699773 /nfs/dbraw/zinc/69/97/73/797699773.db2.gz NEEBYPYIAOGIJD-MCIONIFRSA-N -1 1 343.427 2.229 20 0 EEADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C1CCCCC1 ZINC001082803229 797702254 /nfs/dbraw/zinc/70/22/54/797702254.db2.gz MURMADOKRZDPGC-GZBFAFLISA-N -1 1 349.479 2.053 20 0 EEADMM Nc1ccc(S(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)cc1N ZINC001174744263 797869819 /nfs/dbraw/zinc/86/98/19/797869819.db2.gz GPQCKQFEARPIBG-UHFFFAOYSA-N -1 1 332.307 2.066 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001212767943 798015041 /nfs/dbraw/zinc/01/50/41/798015041.db2.gz FTKUXWCNHWURBI-UHFFFAOYSA-N -1 1 328.284 2.032 20 0 EEADMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000828374814 798375747 /nfs/dbraw/zinc/37/57/47/798375747.db2.gz XXVMGSJZBVLAIU-RQJHMYQMSA-N -1 1 326.237 2.214 20 0 EEADMM Cc1cc(Oc2ccn3ccnc3c2)ccc1NC(=O)Cc1nn[n-]n1 ZINC001176845186 798618490 /nfs/dbraw/zinc/61/84/90/798618490.db2.gz QANODMKZGFOEOD-UHFFFAOYSA-N -1 1 349.354 2.129 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC1(C)C)C(=O)c1ncccc1[O-] ZINC001002848886 798714175 /nfs/dbraw/zinc/71/41/75/798714175.db2.gz OGAADMIJDJHNDK-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(c2nc3ccccc3o2)C1 ZINC001065245371 798804562 /nfs/dbraw/zinc/80/45/62/798804562.db2.gz SETYPXBKMCJFJX-SFHVURJKSA-N -1 1 338.367 2.327 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C1(C)CC=CC1)C(=O)c1ncccc1[O-] ZINC001002944642 798864475 /nfs/dbraw/zinc/86/44/75/798864475.db2.gz SGUKEMSHKNDYAQ-CQSZACIVSA-N -1 1 343.427 2.207 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1OC ZINC000824288082 800258770 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Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000389467748 972227887 /nfs/dbraw/zinc/22/78/87/972227887.db2.gz UEEZTDPKURPASH-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)c(=O)c2c1 ZINC001594385128 958654282 /nfs/dbraw/zinc/65/42/82/958654282.db2.gz GDIQCXNHBVDHAT-RISCZKNCSA-N -1 1 328.368 2.019 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCCC[C@@H]1CCSS1 ZINC000139236205 958964655 /nfs/dbraw/zinc/96/46/55/958964655.db2.gz YQEZPKFUEZIWIV-NEPJUHHUSA-N -1 1 343.474 2.236 20 0 EEADMM C[C@H](C(=O)[O-])C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC001588572553 959192541 /nfs/dbraw/zinc/19/25/41/959192541.db2.gz JDUIUWIYSNQENN-CABZTGNLSA-N -1 1 332.322 2.145 20 0 EEADMM CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1(C)C ZINC000392374401 972476913 /nfs/dbraw/zinc/47/69/13/972476913.db2.gz BBDQTQWLUBSRRJ-KDOFPFPSSA-N -1 1 334.416 2.175 20 0 EEADMM CC(C)(C)c1ccccc1NC(=O)CNC1(C(=O)[O-])CCOCC1 ZINC001588741764 961175313 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/nfs/dbraw/zinc/14/58/52/528145852.db2.gz WSRQJZUYIVMMGB-ZDUSSCGKSA-N -1 1 331.420 2.039 20 0 EEADMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000178571105 528548585 /nfs/dbraw/zinc/54/85/85/528548585.db2.gz ZZYUGEDFDLAIIR-MRVPVSSYSA-N -1 1 327.233 2.074 20 0 EEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)C[C@@H]2F)c1 ZINC000424772061 535635214 /nfs/dbraw/zinc/63/52/14/535635214.db2.gz WQDPPLYPYWGULA-ZFWWWQNUSA-N -1 1 344.408 2.109 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)o1 ZINC000443191487 535697172 /nfs/dbraw/zinc/69/71/72/535697172.db2.gz GDOXWVQHAZLJJR-JTQLQIEISA-N -1 1 339.369 2.201 20 0 EEADMM COc1ccccc1[C@H]1CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC000738126566 578000373 /nfs/dbraw/zinc/00/03/73/578000373.db2.gz HHPSSVMFKZNZRD-GOEBONIOSA-N -1 1 348.443 2.100 20 0 EEADMM O=C(OCCOCc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000738224386 578004641 /nfs/dbraw/zinc/00/46/41/578004641.db2.gz OSSHWIMSPSVWAV-UHFFFAOYSA-N -1 1 330.369 2.302 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2CC2(Cl)Cl)c2ccccc12 ZINC000738371163 578011190 /nfs/dbraw/zinc/01/11/90/578011190.db2.gz GDVHNZYSLRGQCW-MRVPVSSYSA-N -1 1 336.182 2.375 20 0 EEADMM Oc1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000738400448 578012976 /nfs/dbraw/zinc/01/29/76/578012976.db2.gz HRYJQNNOQDGYKK-UHFFFAOYSA-N -1 1 333.355 2.170 20 0 EEADMM Oc1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000738400448 578012977 /nfs/dbraw/zinc/01/29/77/578012977.db2.gz HRYJQNNOQDGYKK-UHFFFAOYSA-N -1 1 333.355 2.170 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1cccc2c1OCO2 ZINC000738413228 578013494 /nfs/dbraw/zinc/01/34/94/578013494.db2.gz OPUQVGXWQKQFQR-UHFFFAOYSA-N -1 1 347.338 2.151 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1cccc2c1OCO2 ZINC000738413228 578013495 /nfs/dbraw/zinc/01/34/95/578013495.db2.gz OPUQVGXWQKQFQR-UHFFFAOYSA-N -1 1 347.338 2.151 20 0 EEADMM Cc1ccc2c(CC(=O)N[C@H](c3nn[n-]n3)c3ccccc3)c[nH]c2c1 ZINC000726190942 576244381 /nfs/dbraw/zinc/24/43/81/576244381.db2.gz AQRUCLDFTUPFOM-SFHVURJKSA-N -1 1 346.394 2.438 20 0 EEADMM O=C(OC[C@@H]1Cc2cc(F)ccc2O1)c1sccc1-c1nn[n-]n1 ZINC000738220311 576744496 /nfs/dbraw/zinc/74/44/96/576744496.db2.gz FZTRQZQDLOUKPD-JTQLQIEISA-N -1 1 346.343 2.228 20 0 EEADMM CCCCOC(=O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000730286552 577016492 /nfs/dbraw/zinc/01/64/92/577016492.db2.gz OUVYLSWVILDSHB-UHFFFAOYSA-N -1 1 330.178 2.228 20 0 EEADMM Cc1noc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)n1 ZINC000731623058 577110924 /nfs/dbraw/zinc/11/09/24/577110924.db2.gz XWIXOKQLSYEVDN-QMMMGPOBSA-N -1 1 325.271 2.040 20 0 EEADMM O=C(c1cccc(Cl)c1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773156057 577319420 /nfs/dbraw/zinc/31/94/20/577319420.db2.gz YJZNHZPWJCUNRP-VIFPVBQESA-N -1 1 344.227 2.437 20 0 EEADMM C[C@H]1CCc2sc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)cc2C1 ZINC000773158581 577319777 /nfs/dbraw/zinc/31/97/77/577319777.db2.gz AVFWWXKNWQLYRX-GXSJLCMTSA-N -1 1 349.485 2.316 20 0 EEADMM Cc1nc(C(=O)[N-]c2nc(C3CC3)no2)nn1-c1ccc(F)cc1 ZINC000734879972 577333466 /nfs/dbraw/zinc/33/34/66/577333466.db2.gz DWDWRZLGMBQYIW-UHFFFAOYSA-N -1 1 328.307 2.228 20 0 EEADMM CCOc1cccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773817392 577366102 /nfs/dbraw/zinc/36/61/02/577366102.db2.gz WXDFAKKHTJLEMO-UHFFFAOYSA-N -1 1 328.397 2.347 20 0 EEADMM O=S(=O)(CC(F)(F)C(F)F)c1n[n-]c(-c2ccccc2F)n1 ZINC000774018569 577378356 /nfs/dbraw/zinc/37/83/56/577378356.db2.gz OBOGDGDQIKMHRY-UHFFFAOYSA-N -1 1 341.261 2.285 20 0 EEADMM O=C(N[C@H](CCCO)c1ccccc1)c1ccc2n[n-]c(=S)n2c1 ZINC000774064529 577380781 /nfs/dbraw/zinc/38/07/81/577380781.db2.gz KEJAIMVFTWDGKA-CQSZACIVSA-N -1 1 342.424 2.262 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(-c3ccccc3)n2)c1 ZINC000777526119 577480461 /nfs/dbraw/zinc/48/04/61/577480461.db2.gz PSJKNPHBFZORTE-UHFFFAOYSA-N -1 1 337.339 2.184 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](CO)C2)c([O-])c1 ZINC000765240262 577497803 /nfs/dbraw/zinc/49/78/03/577497803.db2.gz DIHVWMNSVXVULW-LLVKDONJSA-N -1 1 336.388 2.194 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000766585131 577521864 /nfs/dbraw/zinc/52/18/64/577521864.db2.gz OSFLGJTVRUHZCI-UHFFFAOYSA-N -1 1 335.381 2.420 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cnc1Cl ZINC000767697382 577543084 /nfs/dbraw/zinc/54/30/84/577543084.db2.gz NZZJZIZCDFQERB-UHFFFAOYSA-N -1 1 342.808 2.453 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000768784364 577562404 /nfs/dbraw/zinc/56/24/04/577562404.db2.gz QFYXRRLUAOYZQW-DGCLKSJQSA-N -1 1 333.306 2.151 20 0 EEADMM COC(=O)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000768831456 577563524 /nfs/dbraw/zinc/56/35/24/577563524.db2.gz DYWPPEFTJGSQBN-UHFFFAOYSA-N -1 1 332.283 2.358 20 0 EEADMM COc1cc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1O ZINC000769351119 577575689 /nfs/dbraw/zinc/57/56/89/577575689.db2.gz DFKCWHAEDFNFKM-UHFFFAOYSA-N -1 1 331.372 2.258 20 0 EEADMM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1c([O-])cccc1Cl ZINC000769859076 577585956 /nfs/dbraw/zinc/58/59/56/577585956.db2.gz MCVVLXFVRXTHBM-NSHDSACASA-N -1 1 341.791 2.230 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)CCc1ccccc1 ZINC000753296984 577784653 /nfs/dbraw/zinc/78/46/53/577784653.db2.gz CCLGUUREQWAPPC-HNNXBMFYSA-N -1 1 343.427 2.338 20 0 EEADMM Cn1[n-]c(CN2CCC[C@H]2c2ccccc2C(F)(F)F)nc1=O ZINC000754032045 577799010 /nfs/dbraw/zinc/79/90/10/577799010.db2.gz ZTDWLUHDFAVAHI-LBPRGKRZSA-N -1 1 326.322 2.464 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1O ZINC000754828523 577814281 /nfs/dbraw/zinc/81/42/81/577814281.db2.gz UWNUFLKXABMWDK-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC000756678467 577848402 /nfs/dbraw/zinc/84/84/02/577848402.db2.gz LQLBMSMSHJJZCP-MRVPVSSYSA-N -1 1 332.353 2.327 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(F)(F)C(F)F ZINC000744796302 577903151 /nfs/dbraw/zinc/90/31/51/577903151.db2.gz SPBJYTYGEKWUOE-UHFFFAOYSA-N -1 1 335.300 2.177 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nc2c(s1)COCC2 ZINC000747380234 577943204 /nfs/dbraw/zinc/94/32/04/577943204.db2.gz MYXXVONXKCGDOU-UHFFFAOYSA-N -1 1 334.401 2.396 20 0 EEADMM CCOC(=O)N1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000748343891 577959633 /nfs/dbraw/zinc/95/96/33/577959633.db2.gz NFXNIUOOJSKPLP-UHFFFAOYSA-N -1 1 326.780 2.350 20 0 EEADMM Cc1ncc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000738885358 578029970 /nfs/dbraw/zinc/02/99/70/578029970.db2.gz LHGJSTMNFAQHLR-ZDUSSCGKSA-N -1 1 336.189 2.463 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N[C@H](c1ccccc1)C1CC1)CC2 ZINC000739279162 578046696 /nfs/dbraw/zinc/04/66/96/578046696.db2.gz VVWNEYOTLRYDNW-SJLPKXTDSA-N -1 1 342.439 2.441 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c1Cl ZINC000735502002 578156199 /nfs/dbraw/zinc/15/61/99/578156199.db2.gz BKYQSPPAYRCGNT-VIFPVBQESA-N -1 1 329.834 2.199 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000736116675 578181791 /nfs/dbraw/zinc/18/17/91/578181791.db2.gz CFEFAFHSQVTXEP-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000736116675 578181792 /nfs/dbraw/zinc/18/17/92/578181792.db2.gz CFEFAFHSQVTXEP-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)N1CCCC[C@@H]1C ZINC000736136975 578182785 /nfs/dbraw/zinc/18/27/85/578182785.db2.gz ICYQASXUJSVRSE-UWVGGRQHSA-N -1 1 349.826 2.117 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@@H]1C ZINC000736136975 578182786 /nfs/dbraw/zinc/18/27/86/578182786.db2.gz ICYQASXUJSVRSE-UWVGGRQHSA-N -1 1 349.826 2.117 20 0 EEADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000736206330 578187206 /nfs/dbraw/zinc/18/72/06/578187206.db2.gz DMACYKMVRFIRNQ-NSHDSACASA-N -1 1 347.390 2.076 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736231034 578188759 /nfs/dbraw/zinc/18/87/59/578188759.db2.gz AVIABLAVAYEYCA-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736231034 578188760 /nfs/dbraw/zinc/18/87/60/578188760.db2.gz AVIABLAVAYEYCA-SWLSCSKDSA-N -1 1 334.383 2.280 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736398124 578200752 /nfs/dbraw/zinc/20/07/52/578200752.db2.gz XUTVAOULJRIIOV-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736398124 578200753 /nfs/dbraw/zinc/20/07/53/578200753.db2.gz XUTVAOULJRIIOV-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CCOc1ccc2[nH]c(Sc3nccnc3-c3nn[n-]n3)nc2c1 ZINC000736650644 578216460 /nfs/dbraw/zinc/21/64/60/578216460.db2.gz GDWLHYLRKDHPOX-UHFFFAOYSA-N -1 1 340.372 2.083 20 0 EEADMM CN(C)C(=O)c1cccc(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736752802 578222071 /nfs/dbraw/zinc/22/20/71/578222071.db2.gz CKGFHOOGGVGDNT-UHFFFAOYSA-N -1 1 327.319 2.500 20 0 EEADMM CN(C)C(=O)c1cccc(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736752802 578222072 /nfs/dbraw/zinc/22/20/72/578222072.db2.gz CKGFHOOGGVGDNT-UHFFFAOYSA-N -1 1 327.319 2.500 20 0 EEADMM CN(CCCCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736792358 578223817 /nfs/dbraw/zinc/22/38/17/578223817.db2.gz MITXCSBCTPNEBY-UHFFFAOYSA-N -1 1 336.399 2.357 20 0 EEADMM CN(CCCCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736792358 578223818 /nfs/dbraw/zinc/22/38/18/578223818.db2.gz MITXCSBCTPNEBY-UHFFFAOYSA-N -1 1 336.399 2.357 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737390684 578254409 /nfs/dbraw/zinc/25/44/09/578254409.db2.gz VERUJCIYBMPHST-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737472334 578259881 /nfs/dbraw/zinc/25/98/81/578259881.db2.gz ZVOGUUUZDDYATA-SECBINFHSA-N -1 1 343.416 2.168 20 0 EEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737472334 578259882 /nfs/dbraw/zinc/25/98/82/578259882.db2.gz ZVOGUUUZDDYATA-SECBINFHSA-N -1 1 343.416 2.168 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1nccnc1-c1nn[n-]n1 ZINC000737592104 578266022 /nfs/dbraw/zinc/26/60/22/578266022.db2.gz XPICIQPJGDAWCK-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026692 578276945 /nfs/dbraw/zinc/27/69/45/578276945.db2.gz UNAWONSNWOADQM-HOCLYGCPSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026692 578276946 /nfs/dbraw/zinc/27/69/46/578276946.db2.gz UNAWONSNWOADQM-HOCLYGCPSA-N -1 1 348.410 2.403 20 0 EEADMM CNC(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC000821636361 607308009 /nfs/dbraw/zinc/30/80/09/607308009.db2.gz OMKCZBYHDHBZSM-UHFFFAOYSA-N -1 1 328.401 2.208 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564260 607356858 /nfs/dbraw/zinc/35/68/58/607356858.db2.gz ZFNRMIKZBVTAFC-SECBINFHSA-N -1 1 329.385 2.467 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564260 607356860 /nfs/dbraw/zinc/35/68/60/607356860.db2.gz ZFNRMIKZBVTAFC-SECBINFHSA-N -1 1 329.385 2.467 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000317637599 600176036 /nfs/dbraw/zinc/17/60/36/600176036.db2.gz WKQRFACZSZIJPT-UHFFFAOYSA-N -1 1 339.760 2.347 20 0 EEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000238108646 600499641 /nfs/dbraw/zinc/49/96/41/600499641.db2.gz KCWLDFFOTHEYMP-LLVKDONJSA-N -1 1 349.412 2.234 20 0 EEADMM CC1(C)CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000828069173 600848901 /nfs/dbraw/zinc/84/89/01/600848901.db2.gz NAXXLOSTLFCBEY-INIZCTEOSA-N -1 1 343.427 2.012 20 0 EEADMM C[C@](NCC(=O)Nc1cccc(C(F)(F)F)c1)(C(=O)[O-])C1CC1 ZINC000827728554 601036785 /nfs/dbraw/zinc/03/67/85/601036785.db2.gz SIZRPKJGGRDGNH-CQSZACIVSA-N -1 1 330.306 2.487 20 0 EEADMM Cc1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1F ZINC000832949441 601338385 /nfs/dbraw/zinc/33/83/85/601338385.db2.gz XGPZZVGHTOXHHI-LBPRGKRZSA-N -1 1 339.436 2.312 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000832785149 601360281 /nfs/dbraw/zinc/36/02/81/601360281.db2.gz GUVCFEWRPQZEBM-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CCC(N(C)c2cccnn2)CC1 ZINC000830369133 601416864 /nfs/dbraw/zinc/41/68/64/601416864.db2.gz JMBXMFVQAAWWSN-UHFFFAOYSA-N -1 1 344.415 2.431 20 0 EEADMM CCC1CCC(NCC(=O)NC(=O)Nc2ccccc2)(C(=O)[O-])CC1 ZINC000829101730 601497101 /nfs/dbraw/zinc/49/71/01/601497101.db2.gz VOQNSBGPMHBSPP-UHFFFAOYSA-N -1 1 347.415 2.348 20 0 EEADMM C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C(=O)[O-] ZINC000263325943 601507303 /nfs/dbraw/zinc/50/73/03/601507303.db2.gz KOUONAOZGCKOSN-PSASIEDQSA-N -1 1 342.189 2.330 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c(C)n1 ZINC000832419694 601851809 /nfs/dbraw/zinc/85/18/09/601851809.db2.gz ZGASTEPRLGNIHH-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM FC(F)(F)c1ccnc(SCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826369124 607538214 /nfs/dbraw/zinc/53/82/14/607538214.db2.gz NUUTWKLVMPDLKP-UHFFFAOYSA-N -1 1 339.306 2.363 20 0 EEADMM FC(F)(F)c1ccnc(SCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826369124 607538216 /nfs/dbraw/zinc/53/82/16/607538216.db2.gz NUUTWKLVMPDLKP-UHFFFAOYSA-N -1 1 339.306 2.363 20 0 EEADMM Cc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826307730 607572438 /nfs/dbraw/zinc/57/24/38/607572438.db2.gz UPGFIRYEDIUQGU-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826307730 607572440 /nfs/dbraw/zinc/57/24/40/607572440.db2.gz UPGFIRYEDIUQGU-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CC(C)CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824242729 607583355 /nfs/dbraw/zinc/58/33/55/607583355.db2.gz ASXIBHCLFXJEOK-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM CC(C)CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824242729 607583357 /nfs/dbraw/zinc/58/33/57/607583357.db2.gz ASXIBHCLFXJEOK-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM Cc1ccc2c(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000826293562 607604618 /nfs/dbraw/zinc/60/46/18/607604618.db2.gz TZNCUDKXQKQUPW-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1ccc2c(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000826293562 607604620 /nfs/dbraw/zinc/60/46/20/607604620.db2.gz TZNCUDKXQKQUPW-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825058871 607650109 /nfs/dbraw/zinc/65/01/09/607650109.db2.gz AYWALTUIMIKDCN-NXEZZACHSA-N -1 1 341.412 2.109 20 0 EEADMM Clc1nsc(N2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826354018 607681449 /nfs/dbraw/zinc/68/14/49/607681449.db2.gz MWKWFHXQROHFKR-IUCAKERBSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC[C@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826354018 607681451 /nfs/dbraw/zinc/68/14/51/607681451.db2.gz MWKWFHXQROHFKR-IUCAKERBSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)nc1-c1nnn[n-]1 ZINC000826352282 607681612 /nfs/dbraw/zinc/68/16/12/607681612.db2.gz VQJMKNCEMZQLQB-QWRGUYRKSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCC[C@H]([C@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC000826352282 607681613 /nfs/dbraw/zinc/68/16/13/607681613.db2.gz VQJMKNCEMZQLQB-QWRGUYRKSA-N -1 1 334.811 2.168 20 0 EEADMM CCn1cc(CN2CCCN(c3ccc(C(=O)[O-])c(C)n3)CC2)cn1 ZINC000833682637 604461347 /nfs/dbraw/zinc/46/13/47/604461347.db2.gz RIEYFIMRYDYTJF-UHFFFAOYSA-N -1 1 343.431 2.017 20 0 EEADMM Cc1cc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n[nH]1 ZINC000832860732 604779212 /nfs/dbraw/zinc/77/92/12/604779212.db2.gz MLMUTEZGMCNYLY-UHFFFAOYSA-N -1 1 328.372 2.133 20 0 EEADMM CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000833654094 604832708 /nfs/dbraw/zinc/83/27/08/604832708.db2.gz ARWVCCLGLLRJRV-NVXWUHKLSA-N -1 1 344.411 2.261 20 0 EEADMM CC(C)(C)C(=O)NCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833421855 604868894 /nfs/dbraw/zinc/86/88/94/604868894.db2.gz IFYNDFUTQIBPBE-UHFFFAOYSA-N -1 1 346.387 2.142 20 0 EEADMM C[N@@H+](CC(=O)[N-]OCc1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC000833692452 604909620 /nfs/dbraw/zinc/90/96/20/604909620.db2.gz PKBCPDLEXFPIPX-UHFFFAOYSA-N -1 1 328.368 2.065 20 0 EEADMM O=C([O-])[C@@H](NCc1cccc(N2CCCC2=O)c1)c1cccnc1 ZINC000833170121 604993688 /nfs/dbraw/zinc/99/36/88/604993688.db2.gz PHNQYNHCOLACNX-KRWDZBQOSA-N -1 1 325.368 2.124 20 0 EEADMM CC(C)Oc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1 ZINC000833506895 605012011 /nfs/dbraw/zinc/01/20/11/605012011.db2.gz UMIVEFIVNZDVPD-UHFFFAOYSA-N -1 1 336.369 2.368 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCc1ccccc1 ZINC000833626878 605044070 /nfs/dbraw/zinc/04/40/70/605044070.db2.gz SIBRCVVOXYLCPH-INIZCTEOSA-N -1 1 347.459 2.200 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000833624334 605105112 /nfs/dbraw/zinc/10/51/12/605105112.db2.gz HIQCPFUTXDXHSN-LLVKDONJSA-N -1 1 344.333 2.326 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833386806 605276048 /nfs/dbraw/zinc/27/60/48/605276048.db2.gz SRMXGQZIEIAPAP-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(Cc3cccc(F)c3)CC2)O1 ZINC000833581610 605356322 /nfs/dbraw/zinc/35/63/22/605356322.db2.gz YGJMZTFYPHDPAR-MRXNPFEDSA-N -1 1 334.391 2.091 20 0 EEADMM CC(C)(C)C(=O)NCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833422029 605360930 /nfs/dbraw/zinc/36/09/30/605360930.db2.gz RXEBVVYDKLEDBA-GFCCVEGCSA-N -1 1 330.787 2.357 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833749027 605467493 /nfs/dbraw/zinc/46/74/93/605467493.db2.gz ZHYURMAVGMCXEO-HZPDHXFCSA-N -1 1 332.444 2.181 20 0 EEADMM COC1CCC(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821679596 606103059 /nfs/dbraw/zinc/10/30/59/606103059.db2.gz DMOWVNYQQIQZCJ-UHFFFAOYSA-N -1 1 339.403 2.427 20 0 EEADMM COC1CCC(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821679596 606103060 /nfs/dbraw/zinc/10/30/60/606103060.db2.gz DMOWVNYQQIQZCJ-UHFFFAOYSA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H]2CCCO[C@H]21 ZINC000820583276 606179889 /nfs/dbraw/zinc/17/98/89/606179889.db2.gz BUVFREDVWRHWOO-GGZOMVNGSA-N -1 1 334.401 2.289 20 0 EEADMM CC1(C)[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H]2CCCO[C@H]21 ZINC000820583276 606179890 /nfs/dbraw/zinc/17/98/90/606179890.db2.gz BUVFREDVWRHWOO-GGZOMVNGSA-N -1 1 334.401 2.289 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC(F)(F)F)C1CCCC1 ZINC000823477765 606430995 /nfs/dbraw/zinc/43/09/95/606430995.db2.gz BDJFPTMDBUHFJS-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC(F)(F)F)C1CCCC1 ZINC000823477765 606430997 /nfs/dbraw/zinc/43/09/97/606430997.db2.gz BDJFPTMDBUHFJS-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2c2ccco2)nc1-c1nnn[n-]1 ZINC000822578612 606476020 /nfs/dbraw/zinc/47/60/20/606476020.db2.gz LVAMFBYNOGMHOX-SNVBAGLBSA-N -1 1 332.751 2.086 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC000822578612 606476021 /nfs/dbraw/zinc/47/60/21/606476021.db2.gz LVAMFBYNOGMHOX-SNVBAGLBSA-N -1 1 332.751 2.086 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823797130 606728470 /nfs/dbraw/zinc/72/84/70/606728470.db2.gz LJESXPDMDXWWRL-ZKYQVNSYSA-N -1 1 337.387 2.179 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823797130 606728472 /nfs/dbraw/zinc/72/84/72/606728472.db2.gz LJESXPDMDXWWRL-ZKYQVNSYSA-N -1 1 337.387 2.179 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821361200 606941360 /nfs/dbraw/zinc/94/13/60/606941360.db2.gz UJWXAUUQZCWUMY-CHWSQXEVSA-N -1 1 347.444 2.348 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821361200 606941361 /nfs/dbraw/zinc/94/13/61/606941361.db2.gz UJWXAUUQZCWUMY-CHWSQXEVSA-N -1 1 347.444 2.348 20 0 EEADMM Cc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826288027 607865344 /nfs/dbraw/zinc/86/53/44/607865344.db2.gz NSHFJISUCRYKTL-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM Cc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826288027 607865345 /nfs/dbraw/zinc/86/53/45/607865345.db2.gz NSHFJISUCRYKTL-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(-c3ccoc3)c2)n1 ZINC000826357494 608029316 /nfs/dbraw/zinc/02/93/16/608029316.db2.gz HSCWJYQTHZHPCP-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(-c3ccoc3)c2)n1 ZINC000826357494 608029317 /nfs/dbraw/zinc/02/93/17/608029317.db2.gz HSCWJYQTHZHPCP-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826356216 608402113 /nfs/dbraw/zinc/40/21/13/608402113.db2.gz GYVGAGIEMCJUDY-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826356216 608402115 /nfs/dbraw/zinc/40/21/15/608402115.db2.gz GYVGAGIEMCJUDY-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1Br ZINC000826210288 608418009 /nfs/dbraw/zinc/41/80/09/608418009.db2.gz LKFOTWRLJNQPRI-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1Br ZINC000826210288 608418010 /nfs/dbraw/zinc/41/80/10/608418010.db2.gz LKFOTWRLJNQPRI-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824899768 608424223 /nfs/dbraw/zinc/42/42/23/608424223.db2.gz OCRKBDMTDPLUSL-HZMBPMFUSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824899768 608424225 /nfs/dbraw/zinc/42/42/25/608424225.db2.gz OCRKBDMTDPLUSL-HZMBPMFUSA-N -1 1 325.351 2.383 20 0 EEADMM Clc1nsc(N2CCC[C@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826354365 609170081 /nfs/dbraw/zinc/17/00/81/609170081.db2.gz ZUJMRWYENYEELS-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC[C@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826354365 609170082 /nfs/dbraw/zinc/17/00/82/609170082.db2.gz ZUJMRWYENYEELS-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Cc1cc(Br)ccc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000826256427 609327744 /nfs/dbraw/zinc/32/77/44/609327744.db2.gz IXVJYGDZRKSPEZ-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2o1 ZINC000824722925 609403283 /nfs/dbraw/zinc/40/32/83/609403283.db2.gz KIJHOQLANYCKNX-VIFPVBQESA-N -1 1 336.311 2.321 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2o1 ZINC000824722925 609403284 /nfs/dbraw/zinc/40/32/84/609403284.db2.gz KIJHOQLANYCKNX-VIFPVBQESA-N -1 1 336.311 2.321 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)[C@H](C)C2 ZINC000826294219 609602846 /nfs/dbraw/zinc/60/28/46/609602846.db2.gz MEIDHQXRTXCAOG-BDJLRTHQSA-N -1 1 334.383 2.233 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)[C@H](C)C2 ZINC000826294219 609602849 /nfs/dbraw/zinc/60/28/49/609602849.db2.gz MEIDHQXRTXCAOG-BDJLRTHQSA-N -1 1 334.383 2.233 20 0 EEADMM CC/C(C)=C(\C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825049562 609638940 /nfs/dbraw/zinc/63/89/40/609638940.db2.gz CQFKQYQOSNXWJH-CMDGGOBGSA-N -1 1 347.375 2.305 20 0 EEADMM Cc1cc(CN2CC[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c(C)s1 ZINC001010548485 675267540 /nfs/dbraw/zinc/26/75/40/675267540.db2.gz VPZRHZMUVKZVQL-ZDUSSCGKSA-N -1 1 334.445 2.106 20 0 EEADMM C[C@@H]1CN(C(=O)C=C2CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020725286 675449646 /nfs/dbraw/zinc/44/96/46/675449646.db2.gz XYNBJTDDDALRBC-HIFRSBDPSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020729658 675456857 /nfs/dbraw/zinc/45/68/57/675456857.db2.gz BDFOJPXGJOBMGU-QWHCGFSZSA-N -1 1 349.406 2.265 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC000890821494 675664806 /nfs/dbraw/zinc/66/48/06/675664806.db2.gz XMXCKWLPCLLJGI-SGTLLEGYSA-N -1 1 347.415 2.307 20 0 EEADMM COc1ccc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1OC ZINC000891630528 676737704 /nfs/dbraw/zinc/73/77/04/676737704.db2.gz JCFXGKLVLJCFTC-UHFFFAOYSA-N -1 1 343.383 2.259 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000971899044 677786186 /nfs/dbraw/zinc/78/61/86/677786186.db2.gz DITCNTFXBAITKY-ZIAGYGMSSA-N -1 1 345.443 2.142 20 0 EEADMM CC1CCC(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)CC1 ZINC000909535916 685302611 /nfs/dbraw/zinc/30/26/11/685302611.db2.gz ZYDJLBPBCOAZNU-BBBYJDLNSA-N -1 1 331.416 2.057 20 0 EEADMM CCn1cccc(CNCc2ncc(Br)cc2[O-])c1=O ZINC000894107606 681276348 /nfs/dbraw/zinc/27/63/48/681276348.db2.gz GFINEDJLCOYNHB-UHFFFAOYSA-N -1 1 338.205 2.021 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C1=CCCC1)c1ncccc1[O-] ZINC000937340864 681293875 /nfs/dbraw/zinc/29/38/75/681293875.db2.gz OJAFRXNFEAFFPC-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM Cc1nsc(C)c1C[N@@H+]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001028497817 681647151 /nfs/dbraw/zinc/64/71/51/681647151.db2.gz APCRRNXYXCLHHO-CYBMUJFWSA-N -1 1 346.456 2.112 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3ccc(F)cc3)CC2(C)C)c1[O-] ZINC000973045061 681932654 /nfs/dbraw/zinc/93/26/54/681932654.db2.gz YZPAUIHERZAATC-CQSZACIVSA-N -1 1 346.406 2.203 20 0 EEADMM O=C(CCC1CC1)N1CCCC[C@H]1[C@@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214396 682225527 /nfs/dbraw/zinc/22/55/27/682225527.db2.gz YSYBEVMXIZTRDU-GJZGRUSLSA-N -1 1 347.463 2.046 20 0 EEADMM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000048519291 682629023 /nfs/dbraw/zinc/62/90/23/682629023.db2.gz CLRPPVOZSDEGSE-SVGQVSJJSA-N -1 1 339.156 2.304 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2CN(C(=O)C3CCC3)CC[C@H]21 ZINC000973717544 683112123 /nfs/dbraw/zinc/11/21/23/683112123.db2.gz FUYDDNWUBIORHA-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H]1CCN(C(=O)/C=C/C2CC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983688855 683129972 /nfs/dbraw/zinc/12/99/72/683129972.db2.gz KYBNYWMKNLISKF-WHIKILRWSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909413753 683221593 /nfs/dbraw/zinc/22/15/93/683221593.db2.gz JSZMXLROBOUQJB-SNUQEOBHSA-N -1 1 348.418 2.362 20 0 EEADMM Cc1cc(CN2CC(NC(=O)c3cnc(C4CC4)[n-]c3=O)C2)cs1 ZINC001031061305 683628451 /nfs/dbraw/zinc/62/84/51/683628451.db2.gz VGFAEOVYAIVLLW-UHFFFAOYSA-N -1 1 344.440 2.044 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2CC=C(Cl)Cl ZINC001029281271 683820333 /nfs/dbraw/zinc/82/03/33/683820333.db2.gz BOAJYXMJOWDIPP-PHIMTYICSA-N -1 1 342.226 2.395 20 0 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/nfs/dbraw/zinc/29/20/64/1351292064.db2.gz WSPGXLBJJXUMQV-UHFFFAOYSA-N -1 1 349.167 2.197 20 0 EEADMM Fc1ccc(Br)c(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001606316231 1351292065 /nfs/dbraw/zinc/29/20/65/1351292065.db2.gz WSPGXLBJJXUMQV-UHFFFAOYSA-N -1 1 349.167 2.197 20 0 EEADMM Cc1c2cc(C(=O)N(C)c3nn[n-]n3)[nH]c2ccc1Br ZINC001301547325 1331302480 /nfs/dbraw/zinc/30/24/80/1331302480.db2.gz JCGBNCGWVXHGQG-UHFFFAOYSA-N -1 1 335.165 2.029 20 0 EEADMM O=C(c1cc2cccc(Cl)c2s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001302138106 1331318315 /nfs/dbraw/zinc/31/83/15/1331318315.db2.gz XKJMAMXNCKEUHN-SNVBAGLBSA-N -1 1 349.803 2.282 20 0 EEADMM [O-]c1cc(Br)cnc1CNc1ccc(-n2cnnn2)cc1 ZINC001308636033 1331600879 /nfs/dbraw/zinc/60/08/79/1331600879.db2.gz UBHCYFDCCWULLP-UHFFFAOYSA-N -1 1 347.176 2.138 20 0 EEADMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001309628019 1331636876 /nfs/dbraw/zinc/63/68/76/1331636876.db2.gz HNXRWAFNSWSVLT-VIFPVBQESA-N -1 1 330.331 2.408 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCSc1ccccc1)C[C@H]2C(=O)[O-] ZINC001608612314 1351725985 /nfs/dbraw/zinc/72/59/85/1351725985.db2.gz ZOMYRSRWTQCTAP-TVIZTDCDSA-N -1 1 335.425 2.276 20 0 EEADMM O=C([O-])CCCO[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001608715902 1351747551 /nfs/dbraw/zinc/74/75/51/1351747551.db2.gz LIMLBDUOVGDQSO-CQSZACIVSA-N -1 1 340.807 2.217 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC001608811826 1351769396 /nfs/dbraw/zinc/76/93/96/1351769396.db2.gz BRDZFRCFRFVDKN-MDZLAQPJSA-N -1 1 348.365 2.115 20 0 EEADMM Cc1nnc(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)o1 ZINC001317689332 1332375495 /nfs/dbraw/zinc/37/54/95/1332375495.db2.gz FYVPAQBPFUBJJO-UHFFFAOYSA-N -1 1 343.311 2.028 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2C)cc1 ZINC001320857249 1332966548 /nfs/dbraw/zinc/96/65/48/1332966548.db2.gz HGCXZVLNGYNXLL-UHFFFAOYSA-N -1 1 329.381 2.070 20 0 EEADMM CC(C)Cn1ncc(Nc2cc(-c3nnn[n-]3)ncn2)c1C(F)F ZINC001609097552 1351841644 /nfs/dbraw/zinc/84/16/44/1351841644.db2.gz YSGQSDDNHNFHCW-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM CC(C)Cn1ncc(Nc2cc(-c3nn[n-]n3)ncn2)c1C(F)F ZINC001609097552 1351841650 /nfs/dbraw/zinc/84/16/50/1351841650.db2.gz YSGQSDDNHNFHCW-UHFFFAOYSA-N -1 1 335.322 2.190 20 0 EEADMM O=C(c1ccc(Cn2cccc2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001323445867 1333465825 /nfs/dbraw/zinc/46/58/25/1333465825.db2.gz PHFWFAQSZMDYRV-MRXNPFEDSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H](O)C[C@H]1CCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609127961 1351853664 /nfs/dbraw/zinc/85/36/64/1351853664.db2.gz BMRVPNFGCLPVIO-JGVFFNPUSA-N -1 1 328.829 2.106 20 0 EEADMM C[C@H](O)C[C@H]1CCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609127961 1351853667 /nfs/dbraw/zinc/85/36/67/1351853667.db2.gz BMRVPNFGCLPVIO-JGVFFNPUSA-N -1 1 328.829 2.106 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC001609143968 1351859829 /nfs/dbraw/zinc/85/98/29/1351859829.db2.gz CYAAGEPFMPFHDE-NSHDSACASA-N -1 1 333.367 2.082 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC001609143968 1351859833 /nfs/dbraw/zinc/85/98/33/1351859833.db2.gz CYAAGEPFMPFHDE-NSHDSACASA-N -1 1 333.367 2.082 20 0 EEADMM CC1(C)CN(c2ccnc(-c3nnn[n-]3)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001609147358 1351861348 /nfs/dbraw/zinc/86/13/48/1351861348.db2.gz URTQLIWMVKUYID-VBHSOAQHSA-N -1 1 340.431 2.436 20 0 EEADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001609147358 1351861350 /nfs/dbraw/zinc/86/13/50/1351861350.db2.gz URTQLIWMVKUYID-VBHSOAQHSA-N -1 1 340.431 2.436 20 0 EEADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)O1 ZINC001609161715 1351870319 /nfs/dbraw/zinc/87/03/19/1351870319.db2.gz YGGKFGRBONNRRG-RQJHMYQMSA-N -1 1 342.812 2.263 20 0 EEADMM CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)c1ccccc1 ZINC001609195290 1351885811 /nfs/dbraw/zinc/88/58/11/1351885811.db2.gz GJYUHXANDSZIEH-CQSZACIVSA-N -1 1 337.339 2.080 20 0 EEADMM CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)c1ccccc1 ZINC001609195290 1351885813 /nfs/dbraw/zinc/88/58/13/1351885813.db2.gz GJYUHXANDSZIEH-CQSZACIVSA-N -1 1 337.339 2.080 20 0 EEADMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001326514871 1334108168 /nfs/dbraw/zinc/10/81/68/1334108168.db2.gz AQRHWSPFMKPZRS-MRVPVSSYSA-N -1 1 349.243 2.031 20 0 EEADMM CCOC(=O)c1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001609235680 1351904251 /nfs/dbraw/zinc/90/42/51/1351904251.db2.gz QHIFCHWDNRTETE-UHFFFAOYSA-N -1 1 342.311 2.164 20 0 EEADMM CCOC(=O)c1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001609235680 1351904253 /nfs/dbraw/zinc/90/42/53/1351904253.db2.gz QHIFCHWDNRTETE-UHFFFAOYSA-N -1 1 342.311 2.164 20 0 EEADMM CCO[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC001609236707 1351904400 /nfs/dbraw/zinc/90/44/00/1351904400.db2.gz APULBMDUUCUKSH-LBPRGKRZSA-N -1 1 333.392 2.175 20 0 EEADMM CCO[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC001609236707 1351904403 /nfs/dbraw/zinc/90/44/03/1351904403.db2.gz APULBMDUUCUKSH-LBPRGKRZSA-N -1 1 333.392 2.175 20 0 EEADMM CCOc1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609244701 1351907459 /nfs/dbraw/zinc/90/74/59/1351907459.db2.gz MRCBJHUVQZXEBD-UHFFFAOYSA-N -1 1 327.344 2.131 20 0 EEADMM CCOc1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609244701 1351907460 /nfs/dbraw/zinc/90/74/60/1351907460.db2.gz MRCBJHUVQZXEBD-UHFFFAOYSA-N -1 1 327.344 2.131 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001609249365 1351908270 /nfs/dbraw/zinc/90/82/70/1351908270.db2.gz MZEXJXQSLPUGQS-LBPRGKRZSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001609249365 1351908272 /nfs/dbraw/zinc/90/82/72/1351908272.db2.gz MZEXJXQSLPUGQS-LBPRGKRZSA-N -1 1 326.335 2.282 20 0 EEADMM CO[C@](C)(CNC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609307439 1351927184 /nfs/dbraw/zinc/92/71/84/1351927184.db2.gz BAOKJZYLSNLDCU-MRXNPFEDSA-N -1 1 343.412 2.220 20 0 EEADMM COC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(Cl)c1 ZINC001609318449 1351931418 /nfs/dbraw/zinc/93/14/18/1351931418.db2.gz ZHELLSAZCQVTNQ-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(Cl)c1 ZINC001609318449 1351931421 /nfs/dbraw/zinc/93/14/21/1351931421.db2.gz ZHELLSAZCQVTNQ-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COCCOc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1Cl ZINC001609329780 1351934997 /nfs/dbraw/zinc/93/49/97/1351934997.db2.gz YZSFVAGAJNPYLD-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM COCCOc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1Cl ZINC001609329780 1351935001 /nfs/dbraw/zinc/93/50/01/1351935001.db2.gz YZSFVAGAJNPYLD-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM COc1ccc(CN(c2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001609354709 1351944153 /nfs/dbraw/zinc/94/41/53/1351944153.db2.gz BZAPXFYEOAMSPC-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM COc1ccc(CN(c2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001609354709 1351944154 /nfs/dbraw/zinc/94/41/54/1351944154.db2.gz BZAPXFYEOAMSPC-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)cc1Cl ZINC001609357436 1351945840 /nfs/dbraw/zinc/94/58/40/1351945840.db2.gz CQKLUPUOPOKNSX-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)cc1Cl ZINC001609357436 1351945843 /nfs/dbraw/zinc/94/58/43/1351945843.db2.gz CQKLUPUOPOKNSX-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1cccc(OC)c1Sc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609362396 1351947116 /nfs/dbraw/zinc/94/71/16/1351947116.db2.gz OEPWINNQQYALGY-UHFFFAOYSA-N -1 1 330.373 2.134 20 0 EEADMM COc1cccc(OC)c1Sc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609362396 1351947121 /nfs/dbraw/zinc/94/71/21/1351947121.db2.gz OEPWINNQQYALGY-UHFFFAOYSA-N -1 1 330.373 2.134 20 0 EEADMM Cc1ccncc1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609439578 1351977906 /nfs/dbraw/zinc/97/79/06/1351977906.db2.gz QLMMGEMVWUXAGX-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1[nH]nc(NC(=O)c2oc3c(cccc3F)c2C)c1-c1nn[n-]n1 ZINC001609444818 1351980918 /nfs/dbraw/zinc/98/09/18/1351980918.db2.gz UGZZRPUECJMPIH-UHFFFAOYSA-N -1 1 341.306 2.344 20 0 EEADMM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609462512 1351986114 /nfs/dbraw/zinc/98/61/14/1351986114.db2.gz FCSCZRKGJPLCDU-UHFFFAOYSA-N -1 1 332.389 2.198 20 0 EEADMM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609462512 1351986115 /nfs/dbraw/zinc/98/61/15/1351986115.db2.gz FCSCZRKGJPLCDU-UHFFFAOYSA-N -1 1 332.389 2.198 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3c2O[C@@H](C)C3)c1-c1nnn[n-]1 ZINC001609465306 1351988036 /nfs/dbraw/zinc/98/80/36/1351988036.db2.gz KQPNURZQBFKIDU-ZETCQYMHSA-N -1 1 342.384 2.207 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3c2O[C@@H](C)C3)c1-c1nn[n-]n1 ZINC001609465306 1351988039 /nfs/dbraw/zinc/98/80/39/1351988039.db2.gz KQPNURZQBFKIDU-ZETCQYMHSA-N -1 1 342.384 2.207 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COc2c1cccc2Cl ZINC001609467312 1351988413 /nfs/dbraw/zinc/98/84/13/1351988413.db2.gz BETQJLXKGQHNJO-NSHDSACASA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COc2c1cccc2Cl ZINC001609467312 1351988414 /nfs/dbraw/zinc/98/84/14/1351988414.db2.gz BETQJLXKGQHNJO-NSHDSACASA-N -1 1 345.746 2.285 20 0 EEADMM Cc1nsc(N[C@@H]2CCO[C@@H](c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001609466430 1351988943 /nfs/dbraw/zinc/98/89/43/1351988943.db2.gz VJNXMTWCRYBKOQ-VXGBXAGGSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1(F)CC1 ZINC001609469189 1351989613 /nfs/dbraw/zinc/98/96/13/1351989613.db2.gz QJQPFLMHIJEHHQ-UHFFFAOYSA-N -1 1 331.307 2.218 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC1(F)CC1 ZINC001609469189 1351989617 /nfs/dbraw/zinc/98/96/17/1351989617.db2.gz QJQPFLMHIJEHHQ-UHFFFAOYSA-N -1 1 331.307 2.218 20 0 EEADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609540613 1352009762 /nfs/dbraw/zinc/00/97/62/1352009762.db2.gz HIEODTIEJUYZBA-SHVIVCPWSA-N -1 1 332.795 2.224 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1Cc2ccccc2C1 ZINC001609580817 1352025191 /nfs/dbraw/zinc/02/51/91/1352025191.db2.gz CBGRFWSVAVLTTQ-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(Oc1ccccc1OC(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001609579318 1352025465 /nfs/dbraw/zinc/02/54/65/1352025465.db2.gz PTFZULGUUZQMCT-UHFFFAOYSA-N -1 1 333.254 2.082 20 0 EEADMM O=C(Oc1ccccc1OC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001609579318 1352025466 /nfs/dbraw/zinc/02/54/66/1352025466.db2.gz PTFZULGUUZQMCT-UHFFFAOYSA-N -1 1 333.254 2.082 20 0 EEADMM c1ccc2c(c1)CCOC21CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609613048 1352037767 /nfs/dbraw/zinc/03/77/67/1352037767.db2.gz GVVHKHGBFUOWHZ-UHFFFAOYSA-N -1 1 348.410 2.330 20 0 EEADMM c1ccc2c(c1)CCOC21CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609613048 1352037770 /nfs/dbraw/zinc/03/77/70/1352037770.db2.gz GVVHKHGBFUOWHZ-UHFFFAOYSA-N -1 1 348.410 2.330 20 0 EEADMM CC(C)(NC[C@@H](O)Cc1cccc(Cl)c1)c1nocc1C(=O)[O-] ZINC001609680267 1352057388 /nfs/dbraw/zinc/05/73/88/1352057388.db2.gz DDZMMZOKNCNQAN-LBPRGKRZSA-N -1 1 338.791 2.455 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC001609734538 1352072458 /nfs/dbraw/zinc/07/24/58/1352072458.db2.gz CNPUFGPFPZWMQW-ZDUSSCGKSA-N -1 1 346.431 2.057 20 0 EEADMM C[C@H](CO)N(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)CC1CCC1 ZINC001609746664 1352075421 /nfs/dbraw/zinc/07/54/21/1352075421.db2.gz MHSSWVAVJOOXIW-LLVKDONJSA-N -1 1 345.399 2.017 20 0 EEADMM C[C@H]1CC(=O)NCCN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001609839467 1352098344 /nfs/dbraw/zinc/09/83/44/1352098344.db2.gz KHHRGJNIJUMEKK-LBPRGKRZSA-N -1 1 328.368 2.355 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N(CCOC)Cc1ccccc1 ZINC001341256623 1337288287 /nfs/dbraw/zinc/28/82/87/1337288287.db2.gz JYLQKSUQXZOJMX-UHFFFAOYSA-N -1 1 342.403 2.047 20 0 EEADMM CC1=CCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@H]2CCCCO2)CC1 ZINC001344663164 1337408092 /nfs/dbraw/zinc/40/80/92/1337408092.db2.gz WELNMYFMGPQUEN-CYBMUJFWSA-N -1 1 344.419 2.099 20 0 EEADMM CCCn1cc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2OC)cn1 ZINC001609987718 1352135100 /nfs/dbraw/zinc/13/51/00/1352135100.db2.gz KGOGUIYAFMLXHR-INIZCTEOSA-N -1 1 333.388 2.226 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)[C@@H](C)[C@@H]1OC ZINC001348204111 1337545697 /nfs/dbraw/zinc/54/56/97/1337545697.db2.gz YQTVPVSIHSTCER-FXAINCCUSA-N -1 1 339.461 2.349 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC001348772176 1337574594 /nfs/dbraw/zinc/57/45/94/1337574594.db2.gz JXTINKYYULNERR-LBPRGKRZSA-N -1 1 349.387 2.132 20 0 EEADMM CCc1oc(CN2CCC([C@H](O)c3nccn3C)CC2)cc1C(=O)[O-] ZINC001610079493 1352157477 /nfs/dbraw/zinc/15/74/77/1352157477.db2.gz WCUNOXQWFRCDEI-INIZCTEOSA-N -1 1 347.415 2.219 20 0 EEADMM CC[C@@](O)(CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000847093274 1337866016 /nfs/dbraw/zinc/86/60/16/1337866016.db2.gz WDYVMMGMCVWWTR-FZKQIMNGSA-N -1 1 345.399 2.169 20 0 EEADMM CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)C(C)(C)CC(=O)[O-] ZINC001610126052 1352167956 /nfs/dbraw/zinc/16/79/56/1352167956.db2.gz ADIIRJUPGWUECF-UHFFFAOYSA-N -1 1 333.344 2.150 20 0 EEADMM O=C(c1ccc(Cl)c2ncccc12)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352586627 1337989148 /nfs/dbraw/zinc/98/91/48/1337989148.db2.gz UAJXAUCAAYLATL-VIFPVBQESA-N -1 1 328.763 2.031 20 0 EEADMM O=C(c1cnc(-c2ccccc2F)s1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596818 1337993519 /nfs/dbraw/zinc/99/35/19/1337993519.db2.gz VTDOXVNSFZVZJH-SECBINFHSA-N -1 1 344.375 2.092 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1ncnc2ccsc21 ZINC001100515326 1338463995 /nfs/dbraw/zinc/46/39/95/1338463995.db2.gz LVMZITROKPKPKD-UHFFFAOYSA-N -1 1 343.412 2.048 20 0 EEADMM Cc1cc(CN2C[C@@H](O)C[C@H](C(=O)[O-])C2)ccc1Br ZINC001610461639 1352226784 /nfs/dbraw/zinc/22/67/84/1352226784.db2.gz MJQBEWCOCPUJJL-RYUDHWBXSA-N -1 1 328.206 2.025 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001610573373 1352247252 /nfs/dbraw/zinc/24/72/52/1352247252.db2.gz SPMGAIVVMHOGLR-VHSXEESVSA-N -1 1 331.376 2.259 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(Cl)cc1)OC(=O)c1[nH]nc2c1CCC2 ZINC001610879313 1352289749 /nfs/dbraw/zinc/28/97/49/1352289749.db2.gz SXYHTVPLZYVNAV-ZDUSSCGKSA-N -1 1 334.759 2.405 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCC1(C)C ZINC001430577979 1340260508 /nfs/dbraw/zinc/26/05/08/1340260508.db2.gz JAEQYGVYVZXMSU-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)CC1(C)CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001430912844 1340378375 /nfs/dbraw/zinc/37/83/75/1340378375.db2.gz DCTLRYXAHVZVAH-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)CC(=O)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001431144392 1340473033 /nfs/dbraw/zinc/47/30/33/1340473033.db2.gz CUCWGLICKXWMNV-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cccc([O-])c1F ZINC001617804778 1352345051 /nfs/dbraw/zinc/34/50/51/1352345051.db2.gz QJOMGLCRGGGTDT-UHFFFAOYSA-N -1 1 344.346 2.065 20 0 EEADMM CSc1ncc(C(=O)Nc2nc3cc(F)ccc3n2C)c(=O)[n-]1 ZINC001618750054 1352352904 /nfs/dbraw/zinc/35/29/04/1352352904.db2.gz NGRSYUULHDEAHG-UHFFFAOYSA-N -1 1 333.348 2.182 20 0 EEADMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)[C@H]1C[C@@H](O)C1 ZINC001433609164 1341637122 /nfs/dbraw/zinc/63/71/22/1341637122.db2.gz LTHHGELVEBSBLH-JNSHFYNHSA-N -1 1 346.408 2.197 20 0 EEADMM CCC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576515430 1344023966 /nfs/dbraw/zinc/02/39/66/1344023966.db2.gz IZQNDJDWZFBAGT-UHFFFAOYSA-N -1 1 348.476 2.007 20 0 EEADMM CCCC(=O)NC1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577205917 1344105416 /nfs/dbraw/zinc/10/54/16/1344105416.db2.gz BLUJMQSKMNLNMJ-UHFFFAOYSA-N -1 1 349.464 2.271 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001577301067 1344124671 /nfs/dbraw/zinc/12/46/71/1344124671.db2.gz OCCIXODWKXREPX-JTQLQIEISA-N -1 1 341.412 2.110 20 0 EEADMM CSc1ccccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001580234536 1344495746 /nfs/dbraw/zinc/49/57/46/1344495746.db2.gz DCMHOFQTIZPJSM-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1ccccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001580234536 1344495750 /nfs/dbraw/zinc/49/57/50/1344495750.db2.gz DCMHOFQTIZPJSM-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM Cc1csc(N(C)C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001581385765 1344622198 /nfs/dbraw/zinc/62/21/98/1344622198.db2.gz HXBSGQWKDDBALI-UHFFFAOYSA-N -1 1 336.327 2.186 20 0 EEADMM Cc1csc(N(C)C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001581385765 1344622203 /nfs/dbraw/zinc/62/22/03/1344622203.db2.gz HXBSGQWKDDBALI-UHFFFAOYSA-N -1 1 336.327 2.186 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)CC2(C)CC2)c1-c1nn[n-]n1 ZINC001581714576 1344657711 /nfs/dbraw/zinc/65/77/11/1344657711.db2.gz BAZFLUBSMKLZTP-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM Clc1nc(N[C@@H]2C[C@H]2C2CCOCC2)sc1-c1nnn[n-]1 ZINC001581746520 1344660518 /nfs/dbraw/zinc/66/05/18/1344660518.db2.gz GEFWGZFKQLQFPG-JGVFFNPUSA-N -1 1 326.813 2.204 20 0 EEADMM Clc1nc(N[C@@H]2C[C@H]2C2CCOCC2)sc1-c1nn[n-]n1 ZINC001581746520 1344660526 /nfs/dbraw/zinc/66/05/26/1344660526.db2.gz GEFWGZFKQLQFPG-JGVFFNPUSA-N -1 1 326.813 2.204 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001582328130 1344732612 /nfs/dbraw/zinc/73/26/12/1344732612.db2.gz MFKWZVWXFCIWKM-CQSZACIVSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001582328130 1344732613 /nfs/dbraw/zinc/73/26/13/1344732613.db2.gz MFKWZVWXFCIWKM-CQSZACIVSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582328472 1344733129 /nfs/dbraw/zinc/73/31/29/1344733129.db2.gz RKFWQGXPCLCOMV-ZDUSSCGKSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582328472 1344733133 /nfs/dbraw/zinc/73/31/33/1344733133.db2.gz RKFWQGXPCLCOMV-ZDUSSCGKSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001582337287 1344735645 /nfs/dbraw/zinc/73/56/45/1344735645.db2.gz GCOZUELWRWAIFA-UKRRQHHQSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001582337287 1344735649 /nfs/dbraw/zinc/73/56/49/1344735649.db2.gz GCOZUELWRWAIFA-UKRRQHHQSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(NCC1(C2CC2)CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001582381960 1344746962 /nfs/dbraw/zinc/74/69/62/1344746962.db2.gz QPWKDFFDPFVGFC-UHFFFAOYSA-N -1 1 332.795 2.225 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCCCS1 ZINC001582549443 1344760865 /nfs/dbraw/zinc/76/08/65/1344760865.db2.gz ACOLOCABELHHQJ-SECBINFHSA-N -1 1 338.462 2.013 20 0 EEADMM Cc1cc(C(N)=O)ccc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC001583960045 1348714282 /nfs/dbraw/zinc/71/42/82/1348714282.db2.gz HGHKHHKFMVKEIG-UHFFFAOYSA-N -1 1 348.362 2.300 20 0 EEADMM C=C/C=C/CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588529514 1348913371 /nfs/dbraw/zinc/91/33/71/1348913371.db2.gz AZIXIGZIEODYOD-SNAWJCMRSA-N -1 1 338.371 2.421 20 0 EEADMM C=C/C=C/CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588529514 1348913375 /nfs/dbraw/zinc/91/33/75/1348913375.db2.gz AZIXIGZIEODYOD-SNAWJCMRSA-N -1 1 338.371 2.421 20 0 EEADMM C=COc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001588716623 1348930241 /nfs/dbraw/zinc/93/02/41/1348930241.db2.gz JHLWVWIOLMHJOE-UHFFFAOYSA-N -1 1 338.327 2.050 20 0 EEADMM CC(C)(C)C1=CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589095792 1348958677 /nfs/dbraw/zinc/95/86/77/1348958677.db2.gz FYVIIVWBWGKDBH-UHFFFAOYSA-N -1 1 327.392 2.472 20 0 EEADMM CC(C)(C)C1=CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589095792 1348958681 /nfs/dbraw/zinc/95/86/81/1348958681.db2.gz FYVIIVWBWGKDBH-UHFFFAOYSA-N -1 1 327.392 2.472 20 0 EEADMM CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001589556194 1349004191 /nfs/dbraw/zinc/00/41/91/1349004191.db2.gz KICMMBSZJJBQMR-GFCCVEGCSA-N -1 1 346.435 2.100 20 0 EEADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001589556194 1349004197 /nfs/dbraw/zinc/00/41/97/1349004197.db2.gz KICMMBSZJJBQMR-GFCCVEGCSA-N -1 1 346.435 2.100 20 0 EEADMM CC(C)C[C@H](CO)N(C)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589563269 1349004620 /nfs/dbraw/zinc/00/46/20/1349004620.db2.gz XCNRCUIEXSNKCN-SNVBAGLBSA-N -1 1 344.341 2.124 20 0 EEADMM CC(C)C[C@H](CO)N(C)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589563269 1349004625 /nfs/dbraw/zinc/00/46/25/1349004625.db2.gz XCNRCUIEXSNKCN-SNVBAGLBSA-N -1 1 344.341 2.124 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001589607584 1349008911 /nfs/dbraw/zinc/00/89/11/1349008911.db2.gz OUJHHAZUKUCZLS-JOCQHMNTSA-N -1 1 331.424 2.443 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001589607584 1349008913 /nfs/dbraw/zinc/00/89/13/1349008913.db2.gz OUJHHAZUKUCZLS-JOCQHMNTSA-N -1 1 331.424 2.443 20 0 EEADMM CC(C)NC(=O)c1ccccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001589725545 1349025271 /nfs/dbraw/zinc/02/52/71/1349025271.db2.gz ZRPOGIFKBAUNGP-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM CC(C)NC(=O)c1ccccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001589725545 1349025276 /nfs/dbraw/zinc/02/52/76/1349025276.db2.gz ZRPOGIFKBAUNGP-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM CC(C)Oc1ncccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589759462 1349032276 /nfs/dbraw/zinc/03/22/76/1349032276.db2.gz MRTMXZDZDJMJNM-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)c1cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n[nH]1 ZINC001589766914 1349034036 /nfs/dbraw/zinc/03/40/36/1349034036.db2.gz IDIFPLLNDUJHTB-UHFFFAOYSA-N -1 1 336.359 2.447 20 0 EEADMM CC(C)n1nccc1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589785508 1349041235 /nfs/dbraw/zinc/04/12/35/1349041235.db2.gz HUFINGUXLKLKQK-UHFFFAOYSA-N -1 1 338.784 2.006 20 0 EEADMM C[C@@H](CC(N)=O)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001589804439 1349049080 /nfs/dbraw/zinc/04/90/80/1349049080.db2.gz WQINJMKQHWTYQA-JTQLQIEISA-N -1 1 326.360 2.051 20 0 EEADMM C[C@@H](CC(N)=O)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589804439 1349049082 /nfs/dbraw/zinc/04/90/82/1349049082.db2.gz WQINJMKQHWTYQA-JTQLQIEISA-N -1 1 326.360 2.051 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589834529 1349052092 /nfs/dbraw/zinc/05/20/92/1349052092.db2.gz IDDONZZAWMKZEQ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589834529 1349052101 /nfs/dbraw/zinc/05/21/01/1349052101.db2.gz IDDONZZAWMKZEQ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](CCn1cccc(-c2nn[n-]n2)c1=O)OCc1ccccc1 ZINC001589835631 1349052912 /nfs/dbraw/zinc/05/29/12/1349052912.db2.gz CDQXTMSWFCPQON-ZDUSSCGKSA-N -1 1 325.372 2.024 20 0 EEADMM C[C@H](CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001589875056 1349053840 /nfs/dbraw/zinc/05/38/40/1349053840.db2.gz QQPLJNBJVZXURB-SECBINFHSA-N -1 1 343.478 2.030 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1 ZINC001589944431 1349073194 /nfs/dbraw/zinc/07/31/94/1349073194.db2.gz JBZUJTLEMPWEAV-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]2CCO[C@H]21 ZINC001590076553 1349140531 /nfs/dbraw/zinc/14/05/31/1349140531.db2.gz FIFIGFAGWNHCSY-LPBLVHEISA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]2CCO[C@H]21 ZINC001590076553 1349140536 /nfs/dbraw/zinc/14/05/36/1349140536.db2.gz FIFIGFAGWNHCSY-LPBLVHEISA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C2CC2)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590121999 1349165157 /nfs/dbraw/zinc/16/51/57/1349165157.db2.gz KNTOXEDTNCZCCL-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM CC1(C2CC2)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590121999 1349165164 /nfs/dbraw/zinc/16/51/64/1349165164.db2.gz KNTOXEDTNCZCCL-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590153321 1349176057 /nfs/dbraw/zinc/17/60/57/1349176057.db2.gz MBLRNAXMVAUBJW-LJQANCHMSA-N -1 1 348.410 2.456 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590153321 1349176066 /nfs/dbraw/zinc/17/60/66/1349176066.db2.gz MBLRNAXMVAUBJW-LJQANCHMSA-N -1 1 348.410 2.456 20 0 EEADMM C[C@H]1C[C@H]1COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590221381 1349209608 /nfs/dbraw/zinc/20/96/08/1349209608.db2.gz RXJQAGODHYSEOC-XPUUQOCRSA-N -1 1 327.266 2.093 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590355962 1349282229 /nfs/dbraw/zinc/28/22/29/1349282229.db2.gz WUVSDKQGDOEJSF-QAVQXKDTSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590355962 1349282237 /nfs/dbraw/zinc/28/22/37/1349282237.db2.gz WUVSDKQGDOEJSF-QAVQXKDTSA-N -1 1 327.392 2.472 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590431689 1349322354 /nfs/dbraw/zinc/32/23/54/1349322354.db2.gz OMERNHUMZRHKDQ-JSGCOSHPSA-N -1 1 331.424 2.361 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590431689 1349322361 /nfs/dbraw/zinc/32/23/61/1349322361.db2.gz OMERNHUMZRHKDQ-JSGCOSHPSA-N -1 1 331.424 2.361 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1OC ZINC001590459032 1349334848 /nfs/dbraw/zinc/33/48/48/1349334848.db2.gz FIYIYVAMLWXKJB-NSHDSACASA-N -1 1 327.344 2.349 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1OC ZINC001590459032 1349334853 /nfs/dbraw/zinc/33/48/53/1349334853.db2.gz FIYIYVAMLWXKJB-NSHDSACASA-N -1 1 327.344 2.349 20 0 EEADMM CC[C@@H](O)CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590476960 1349348652 /nfs/dbraw/zinc/34/86/52/1349348652.db2.gz MUZZCJMPSHUWGX-GFCCVEGCSA-N -1 1 326.360 2.237 20 0 EEADMM CC[C@@H](O)CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590476960 1349348658 /nfs/dbraw/zinc/34/86/58/1349348658.db2.gz MUZZCJMPSHUWGX-GFCCVEGCSA-N -1 1 326.360 2.237 20 0 EEADMM CCCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001590657493 1349383397 /nfs/dbraw/zinc/38/33/97/1349383397.db2.gz JFXNSNVBBZTOQQ-UHFFFAOYSA-N -1 1 340.339 2.452 20 0 EEADMM CCn1ccc(CN(C)C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001590959017 1349423870 /nfs/dbraw/zinc/42/38/70/1349423870.db2.gz QBRTWIGMRDOTND-UHFFFAOYSA-N -1 1 346.341 2.239 20 0 EEADMM CCn1ccc(CN(C)C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001590959017 1349423872 /nfs/dbraw/zinc/42/38/72/1349423872.db2.gz QBRTWIGMRDOTND-UHFFFAOYSA-N -1 1 346.341 2.239 20 0 EEADMM CN(C(=O)c1ccc2ccn(C)c2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590993851 1349429120 /nfs/dbraw/zinc/42/91/20/1349429120.db2.gz RYOWZDBOFYLVSJ-UHFFFAOYSA-N -1 1 333.355 2.030 20 0 EEADMM CN(C(=O)c1ccc2ccn(C)c2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993851 1349429125 /nfs/dbraw/zinc/42/91/25/1349429125.db2.gz RYOWZDBOFYLVSJ-UHFFFAOYSA-N -1 1 333.355 2.030 20 0 EEADMM COc1cc(F)cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591540638 1349503424 /nfs/dbraw/zinc/50/34/24/1349503424.db2.gz CSJMFABMAXIIBA-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1cc(F)cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591540638 1349503430 /nfs/dbraw/zinc/50/34/30/1349503430.db2.gz CSJMFABMAXIIBA-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1cc2c(cc1F)CC[C@@H]2Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591554626 1349507062 /nfs/dbraw/zinc/50/70/62/1349507062.db2.gz FQOQTHWMHDKGGH-AWEZNQCLSA-N -1 1 340.362 2.239 20 0 EEADMM COc1cc2c(cc1F)CC[C@@H]2Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591554626 1349507068 /nfs/dbraw/zinc/50/70/68/1349507068.db2.gz FQOQTHWMHDKGGH-AWEZNQCLSA-N -1 1 340.362 2.239 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591605661 1349513658 /nfs/dbraw/zinc/51/36/58/1349513658.db2.gz AUPUFCDMEOUTDX-MRVPVSSYSA-N -1 1 345.334 2.407 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591605661 1349513663 /nfs/dbraw/zinc/51/36/63/1349513663.db2.gz AUPUFCDMEOUTDX-MRVPVSSYSA-N -1 1 345.334 2.407 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001591625756 1349518571 /nfs/dbraw/zinc/51/85/71/1349518571.db2.gz ACENDYKRSSZKTH-LBPRGKRZSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc2c(c1)CCC[C@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001591625756 1349518578 /nfs/dbraw/zinc/51/85/78/1349518578.db2.gz ACENDYKRSSZKTH-LBPRGKRZSA-N -1 1 337.387 2.197 20 0 EEADMM COc1cccc2cc(CNC(=O)c3ccc(-c4nnn[n-]4)o3)oc21 ZINC001591645155 1349522910 /nfs/dbraw/zinc/52/29/10/1349522910.db2.gz ZIBVBMYNHHXFRB-UHFFFAOYSA-N -1 1 339.311 2.145 20 0 EEADMM COc1cccc2cc(CNC(=O)c3ccc(-c4nn[n-]n4)o3)oc21 ZINC001591645155 1349522915 /nfs/dbraw/zinc/52/29/15/1349522915.db2.gz ZIBVBMYNHHXFRB-UHFFFAOYSA-N -1 1 339.311 2.145 20 0 EEADMM Cc1cc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)ccc1F ZINC001591958931 1349567262 /nfs/dbraw/zinc/56/72/62/1349567262.db2.gz IMWMBUFJXKVDES-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)ccc1F ZINC001591958931 1349567268 /nfs/dbraw/zinc/56/72/68/1349567268.db2.gz IMWMBUFJXKVDES-OAHLLOKOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(N2CCC[C@@H](C3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592002992 1349581795 /nfs/dbraw/zinc/58/17/95/1349581795.db2.gz BBPKBYRRLDULKO-CQSZACIVSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(N2CCC[C@@H](C3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592002992 1349581796 /nfs/dbraw/zinc/58/17/96/1349581796.db2.gz BBPKBYRRLDULKO-CQSZACIVSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cccc(CC(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001592228650 1349611762 /nfs/dbraw/zinc/61/17/62/1349611762.db2.gz SYYWSZQJAWTXPK-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1cccc(CC(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001592228650 1349611765 /nfs/dbraw/zinc/61/17/65/1349611765.db2.gz SYYWSZQJAWTXPK-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc[nH]2)c1-c1nn[n-]n1 ZINC001592425417 1349629757 /nfs/dbraw/zinc/62/97/57/1349629757.db2.gz DGQRDXGYZUHBMF-UHFFFAOYSA-N -1 1 349.354 2.046 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)C(C)C)c1-c1nn[n-]n1 ZINC001592426648 1349629762 /nfs/dbraw/zinc/62/97/62/1349629762.db2.gz YCIMBPUVJCEAJB-UHFFFAOYSA-N -1 1 326.360 2.060 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@H](F)CC2CCCCC2)c1-c1nnn[n-]1 ZINC001592442582 1349632683 /nfs/dbraw/zinc/63/26/83/1349632683.db2.gz LOQHHNJBTUEOGW-LLVKDONJSA-N -1 1 335.387 2.156 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@H](F)CC2CCCCC2)c1-c1nn[n-]n1 ZINC001592442582 1349632685 /nfs/dbraw/zinc/63/26/85/1349632685.db2.gz LOQHHNJBTUEOGW-LLVKDONJSA-N -1 1 335.387 2.156 20 0 EEADMM Cc1nsc(N2CCO[C@H](c3cccs3)C2)c1-c1nn[n-]n1 ZINC001592476571 1349635348 /nfs/dbraw/zinc/63/53/48/1349635348.db2.gz VXNVZIHFXWDSJY-VIFPVBQESA-N -1 1 334.430 2.271 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc2ccc(F)cc2n1C ZINC001592501785 1349637984 /nfs/dbraw/zinc/63/79/84/1349637984.db2.gz NBZKSQIZXXQEED-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2ccc(F)cc2n1C ZINC001592501785 1349637985 /nfs/dbraw/zinc/63/79/85/1349637985.db2.gz NBZKSQIZXXQEED-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC001592500896 1349638235 /nfs/dbraw/zinc/63/82/35/1349638235.db2.gz JYBYBQVNORGYOT-UHFFFAOYSA-N -1 1 346.416 2.452 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc(C(C)(C)C)cs1 ZINC001592500896 1349638237 /nfs/dbraw/zinc/63/82/37/1349638237.db2.gz JYBYBQVNORGYOT-UHFFFAOYSA-N -1 1 346.416 2.452 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@]1(C)C[C@H]1F ZINC001592505670 1349643070 /nfs/dbraw/zinc/64/30/70/1349643070.db2.gz BXHIRGYYUHPVOL-QLJPJBMISA-N -1 1 345.334 2.464 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@]1(C)C[C@H]1F ZINC001592505670 1349643075 /nfs/dbraw/zinc/64/30/75/1349643075.db2.gz BXHIRGYYUHPVOL-QLJPJBMISA-N -1 1 345.334 2.464 20 0 EEADMM Cc1onc(CC(=O)NCCC2=CCCCCC2)c1-c1nnn[n-]1 ZINC001592517287 1349644431 /nfs/dbraw/zinc/64/44/31/1349644431.db2.gz SDSALSTUUNXERK-UHFFFAOYSA-N -1 1 330.392 2.102 20 0 EEADMM Cc1onc(CC(=O)NCCC2=CCCCCC2)c1-c1nn[n-]n1 ZINC001592517287 1349644432 /nfs/dbraw/zinc/64/44/32/1349644432.db2.gz SDSALSTUUNXERK-UHFFFAOYSA-N -1 1 330.392 2.102 20 0 EEADMM Clc1nsc(N2CC[C@H]3CC[C@@H](C2)S3)c1-c1nnn[n-]1 ZINC001592537516 1349652253 /nfs/dbraw/zinc/65/22/53/1349652253.db2.gz IDBWBYVSMMVLLZ-RQJHMYQMSA-N -1 1 328.854 2.451 20 0 EEADMM Clc1nsc(N2CC[C@H]3CC[C@@H](C2)S3)c1-c1nn[n-]n1 ZINC001592537516 1349652254 /nfs/dbraw/zinc/65/22/54/1349652254.db2.gz IDBWBYVSMMVLLZ-RQJHMYQMSA-N -1 1 328.854 2.451 20 0 EEADMM FC(F)(F)[C@H](C[C@@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)o1 ZINC001592612281 1349668997 /nfs/dbraw/zinc/66/89/97/1349668997.db2.gz CVTLWYJQOFSYNP-KWQFWETISA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)[C@H](C[C@@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)o1 ZINC001592612281 1349669002 /nfs/dbraw/zinc/66/90/02/1349669002.db2.gz CVTLWYJQOFSYNP-KWQFWETISA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NCC2=CCOCC2)c1 ZINC001592622566 1349676700 /nfs/dbraw/zinc/67/67/00/1349676700.db2.gz NAZLNKKYWFNFCJ-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NCC2=CCOCC2)c1 ZINC001592622566 1349676702 /nfs/dbraw/zinc/67/67/02/1349676702.db2.gz NAZLNKKYWFNFCJ-UHFFFAOYSA-N -1 1 326.282 2.039 20 0 EEADMM O=C(CCCOC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592837456 1349718334 /nfs/dbraw/zinc/71/83/34/1349718334.db2.gz GFIDSXXREZABNE-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM O=C(CCCOC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592837456 1349718336 /nfs/dbraw/zinc/71/83/36/1349718336.db2.gz GFIDSXXREZABNE-UHFFFAOYSA-N -1 1 337.339 2.082 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)OCc1cccnc1-c1nnn[n-]1 ZINC001592849542 1349719761 /nfs/dbraw/zinc/71/97/61/1349719761.db2.gz RHMXSBDWVCZADM-UHFFFAOYSA-N -1 1 348.366 2.419 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)OCc1cccnc1-c1nn[n-]n1 ZINC001592849542 1349719768 /nfs/dbraw/zinc/71/97/68/1349719768.db2.gz RHMXSBDWVCZADM-UHFFFAOYSA-N -1 1 348.366 2.419 20 0 EEADMM O=C(NCCCSc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593078028 1349737532 /nfs/dbraw/zinc/73/75/32/1349737532.db2.gz BMUKAULUJCQDOI-UHFFFAOYSA-N -1 1 340.412 2.174 20 0 EEADMM O=C(NCCCSc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593078028 1349737537 /nfs/dbraw/zinc/73/75/37/1349737537.db2.gz BMUKAULUJCQDOI-UHFFFAOYSA-N -1 1 340.412 2.174 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc2c(s1)CCCC2 ZINC001593245303 1349749596 /nfs/dbraw/zinc/74/95/96/1349749596.db2.gz JWQNPTHWWHQDID-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc2c(s1)CCCC2 ZINC001593245303 1349749602 /nfs/dbraw/zinc/74/96/02/1349749602.db2.gz JWQNPTHWWHQDID-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)C1(Cc2ccccc2Cl)CC1 ZINC001593259957 1349754075 /nfs/dbraw/zinc/75/40/75/1349754075.db2.gz FPLTYNDOVQAVCW-UHFFFAOYSA-N -1 1 343.778 2.205 20 0 EEADMM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283595 1349761927 /nfs/dbraw/zinc/76/19/27/1349761927.db2.gz AOBUMYQNPUOYMK-KWBADKCTSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283595 1349761930 /nfs/dbraw/zinc/76/19/30/1349761930.db2.gz AOBUMYQNPUOYMK-KWBADKCTSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OCCCCCn1cccn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593287434 1349764453 /nfs/dbraw/zinc/76/44/53/1349764453.db2.gz KHUXIDCEDKHABN-UHFFFAOYSA-N -1 1 344.350 2.230 20 0 EEADMM O=C(OCCCCCn1cccn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593287434 1349764455 /nfs/dbraw/zinc/76/44/55/1349764455.db2.gz KHUXIDCEDKHABN-UHFFFAOYSA-N -1 1 344.350 2.230 20 0 EEADMM O=C(OCc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001593294791 1349769340 /nfs/dbraw/zinc/76/93/40/1349769340.db2.gz XHQVIUMLNHHRET-UHFFFAOYSA-N -1 1 346.730 2.405 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2c(o1)CCCC2 ZINC001593301875 1349774395 /nfs/dbraw/zinc/77/43/95/1349774395.db2.gz JJHMCXFDPWQXER-UHFFFAOYSA-N -1 1 325.328 2.091 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2c(o1)CCCC2 ZINC001593301875 1349774401 /nfs/dbraw/zinc/77/44/01/1349774401.db2.gz JJHMCXFDPWQXER-UHFFFAOYSA-N -1 1 325.328 2.091 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001593314507 1349779124 /nfs/dbraw/zinc/77/91/24/1349779124.db2.gz VKCWVBABLQMRIP-UHFFFAOYSA-N -1 1 341.758 2.382 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001593340260 1349784939 /nfs/dbraw/zinc/78/49/39/1349784939.db2.gz IBWRRDLJQGFSJO-GFCCVEGCSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001593340260 1349784941 /nfs/dbraw/zinc/78/49/41/1349784941.db2.gz IBWRRDLJQGFSJO-GFCCVEGCSA-N -1 1 331.376 2.024 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](OC2CCC2)C1 ZINC001593350746 1349789141 /nfs/dbraw/zinc/78/91/41/1349789141.db2.gz UXKDGOFXASJEDA-LBPRGKRZSA-N -1 1 345.378 2.180 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](OC2CCC2)C1 ZINC001593350746 1349789145 /nfs/dbraw/zinc/78/91/45/1349789145.db2.gz UXKDGOFXASJEDA-LBPRGKRZSA-N -1 1 345.378 2.180 20 0 EEADMM O=C1CCCc2cc(NCc3nc(-c4nnn[n-]4)cs3)ccc2N1 ZINC001593395596 1349796669 /nfs/dbraw/zinc/79/66/69/1349796669.db2.gz UIYFMTAQWYSWMQ-UHFFFAOYSA-N -1 1 341.400 2.210 20 0 EEADMM O=C1CCCc2cc(NCc3nc(-c4nn[n-]n4)cs3)ccc2N1 ZINC001593395596 1349796674 /nfs/dbraw/zinc/79/66/74/1349796674.db2.gz UIYFMTAQWYSWMQ-UHFFFAOYSA-N -1 1 341.400 2.210 20 0 EEADMM O=S(=O)(Oc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC001593450455 1349801052 /nfs/dbraw/zinc/80/10/52/1349801052.db2.gz VZEDMLIZQCGEJN-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=S(=O)(Oc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC001593450455 1349801056 /nfs/dbraw/zinc/80/10/56/1349801056.db2.gz VZEDMLIZQCGEJN-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1ccccc1F ZINC001593493276 1349818076 /nfs/dbraw/zinc/81/80/76/1349818076.db2.gz CRSLHZJHWCNBJY-UHFFFAOYSA-N -1 1 327.344 2.431 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593492799 1349818159 /nfs/dbraw/zinc/81/81/59/1349818159.db2.gz OUEITIDBAYRXHN-AEJSXWLSSA-N -1 1 337.305 2.259 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC2(Br)CC2)c2ccccc12 ZINC001593494477 1349819527 /nfs/dbraw/zinc/81/95/27/1349819527.db2.gz HDEIUJZTMQKSOT-UHFFFAOYSA-N -1 1 346.188 2.109 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CSc1ncn(-c2ccccc2)n1 ZINC001593570244 1349856317 /nfs/dbraw/zinc/85/63/17/1349856317.db2.gz XNSGHBRAPHHPRG-UHFFFAOYSA-N -1 1 325.357 2.333 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CSc1ncn(-c2ccccc2)n1 ZINC001593570244 1349856323 /nfs/dbraw/zinc/85/63/23/1349856323.db2.gz XNSGHBRAPHHPRG-UHFFFAOYSA-N -1 1 325.357 2.333 20 0 EEADMM c1ccc(Oc2ccc(CNc3cc(-c4nnn[n-]4)ncn3)cn2)cc1 ZINC001593576687 1349859904 /nfs/dbraw/zinc/85/99/04/1349859904.db2.gz MKZABLWGOPZDEF-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2ccc(CNc3cc(-c4nn[n-]n4)ncn3)cn2)cc1 ZINC001593576687 1349859909 /nfs/dbraw/zinc/85/99/09/1349859909.db2.gz MKZABLWGOPZDEF-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3nccnc3-c3nnn[n-]3)CC1)O2 ZINC001593580251 1349860887 /nfs/dbraw/zinc/86/08/87/1349860887.db2.gz BRNPVJUQNHUCHV-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3nccnc3-c3nn[n-]n3)CC1)O2 ZINC001593580251 1349860893 /nfs/dbraw/zinc/86/08/93/1349860893.db2.gz BRNPVJUQNHUCHV-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM Cc1cc(C(=O)C[S@](=O)Cc2ccccc2C(=O)[O-])c(C)n1C ZINC001600076905 1349966555 /nfs/dbraw/zinc/96/65/55/1349966555.db2.gz HDXYVFSMWRUFBN-HSZRJFAPSA-N -1 1 333.409 2.472 20 0 EEADMM Cc1cc(CCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)n[nH]1 ZINC001600188242 1349988221 /nfs/dbraw/zinc/98/82/21/1349988221.db2.gz JHSYIAYZOSQPQQ-OAHLLOKOSA-N -1 1 329.400 2.243 20 0 EEADMM Cc1cc(CNCC(=O)Nc2cccc3cccnc32)[nH]c1C(=O)[O-] ZINC001600205016 1349992552 /nfs/dbraw/zinc/99/25/52/1349992552.db2.gz KCAXTLFCYXOQDY-UHFFFAOYSA-N -1 1 338.367 2.298 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001600241646 1350000315 /nfs/dbraw/zinc/00/03/15/1350000315.db2.gz MROWFDUKWGBNML-HOCLYGCPSA-N -1 1 345.443 2.329 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C)C[C@H]1CC(C)C ZINC001600356599 1350028237 /nfs/dbraw/zinc/02/82/37/1350028237.db2.gz IIBPRAOYSZVHIP-MRXNPFEDSA-N -1 1 347.459 2.294 20 0 EEADMM Cc1ccc(OCCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)c1 ZINC001600469764 1350059327 /nfs/dbraw/zinc/05/93/27/1350059327.db2.gz UXSPJVMRFJXDJZ-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCN2C(C)(C)C)C(=O)[O-])c1 ZINC001600526654 1350073799 /nfs/dbraw/zinc/07/37/99/1350073799.db2.gz DNHMIMOUOSGASX-HOTGVXAUSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc2s1 ZINC001600726137 1350121868 /nfs/dbraw/zinc/12/18/68/1350121868.db2.gz JHZYLTNKLAZAFP-NSHDSACASA-N -1 1 347.440 2.226 20 0 EEADMM Cn1cc(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)c(-c2ccccc2)n1 ZINC001600952737 1350175278 /nfs/dbraw/zinc/17/52/78/1350175278.db2.gz XQNIUHUNDWHIJD-UHFFFAOYSA-N -1 1 337.383 2.108 20 0 EEADMM Cn1ncc(C(=O)OC(C)(C)C)c1CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001601024949 1350192767 /nfs/dbraw/zinc/19/27/67/1350192767.db2.gz KIASOAACKFXNAT-SGTLLEGYSA-N -1 1 349.431 2.062 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC001601311121 1350254780 /nfs/dbraw/zinc/25/47/80/1350254780.db2.gz SZCTWGKZHFPEJJ-VXGBXAGGSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])c1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)no1 ZINC001601418215 1350279896 /nfs/dbraw/zinc/27/98/96/1350279896.db2.gz OXXBVSBXPMMASJ-HNNXBMFYSA-N -1 1 343.383 2.330 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC001601533800 1350302049 /nfs/dbraw/zinc/30/20/49/1350302049.db2.gz AYESFHWTTCPZHH-ZDUSSCGKSA-N -1 1 332.335 2.124 20 0 EEADMM O=C([O-])c1cc(CNC(=O)c2ccc(Nc3ccncc3)cc2)ccn1 ZINC001601544627 1350304549 /nfs/dbraw/zinc/30/45/49/1350304549.db2.gz BPZDFFLICRONIF-UHFFFAOYSA-N -1 1 348.362 2.270 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(N2CCNC2=O)cc1)c1ccccc1F ZINC001601674644 1350334718 /nfs/dbraw/zinc/33/47/18/1350334718.db2.gz KDJZRHJEGUJGRZ-MRXNPFEDSA-N -1 1 343.358 2.271 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCN(C/C=C/c3ccccc3)CC2)C1(F)F ZINC001601747329 1350354858 /nfs/dbraw/zinc/35/48/58/1350354858.db2.gz CRDUZLNOPZBDGS-KBKYZLAFSA-N -1 1 336.382 2.283 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CNCc2c(F)cccc2OC(F)F)C1(F)F ZINC001601749303 1350355673 /nfs/dbraw/zinc/35/56/73/1350355673.db2.gz GAUGGFXHQPYNLY-XVKPBYJWSA-N -1 1 325.233 2.483 20 0 EEADMM O=C([O-])/C=C/c1ccc(CNCCn2cc(Br)cn2)o1 ZINC001601879398 1350388527 /nfs/dbraw/zinc/38/85/27/1350388527.db2.gz RELHLXRVWXOVKR-ONEGZZNKSA-N -1 1 340.177 2.126 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cnc(C3CC3)[nH]2)C1 ZINC001602195339 1350462869 /nfs/dbraw/zinc/46/28/69/1350462869.db2.gz PDODBLVARBSVNU-BDAKNGLRSA-N -1 1 331.294 2.012 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1CN(Cn1c(=O)scc1-c1ccccn1)C2 ZINC001602221938 1350469858 /nfs/dbraw/zinc/46/98/58/1350469858.db2.gz XORSMEAKCLSQBD-SJCJKPOMSA-N -1 1 345.424 2.116 20 0 EEADMM O=C([O-])c1[nH]c2ccccc2c1C[NH2+]Cc1nnc(C(F)(F)F)[n-]1 ZINC001602225827 1350470979 /nfs/dbraw/zinc/47/09/79/1350470979.db2.gz MUFMGVKZANXFLP-UHFFFAOYSA-N -1 1 339.277 2.293 20 0 EEADMM O=C([O-])c1ccc(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC001602321825 1350493350 /nfs/dbraw/zinc/49/33/50/1350493350.db2.gz MCUBBIAAERTVGO-OAHLLOKOSA-N -1 1 336.351 2.065 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CC[C@H]4COC[C@H]4C3)c2c1 ZINC001602408444 1350512817 /nfs/dbraw/zinc/51/28/17/1350512817.db2.gz WNMPXLRTHKEPMQ-QWHCGFSZSA-N -1 1 328.368 2.017 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)c1nc[nH]c1C(F)(F)F)CC2 ZINC001602459076 1350524015 /nfs/dbraw/zinc/52/40/15/1350524015.db2.gz JRWGEQMBKFXNTF-UHFFFAOYSA-N -1 1 339.273 2.325 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)[nH]3)C2)s1 ZINC001602511944 1350535306 /nfs/dbraw/zinc/53/53/06/1350535306.db2.gz XWMJEHMSAKOKPK-SNVBAGLBSA-N -1 1 346.412 2.462 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCN(Cc3cnc(C4CC4)nc3)C2)s1 ZINC001602519035 1350536804 /nfs/dbraw/zinc/53/68/04/1350536804.db2.gz VQQWXQKSQJUVNC-LBPRGKRZSA-N -1 1 330.413 2.498 20 0 EEADMM O=C([O-])c1cnc(CNCCOc2ccc(C(F)(F)F)cn2)s1 ZINC001602522786 1350538220 /nfs/dbraw/zinc/53/82/20/1350538220.db2.gz CCBZKQKCNOVUML-UHFFFAOYSA-N -1 1 347.318 2.424 20 0 EEADMM CC(=Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001602907237 1350603919 /nfs/dbraw/zinc/60/39/19/1350603919.db2.gz VRDOSIBWSXHFKR-FPLPWBNLSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=Cc1ccccn1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001602907237 1350603923 /nfs/dbraw/zinc/60/39/23/1350603923.db2.gz VRDOSIBWSXHFKR-FPLPWBNLSA-N -1 1 327.373 2.069 20 0 EEADMM CC(C)(C)C(=O)CCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603054928 1350629176 /nfs/dbraw/zinc/62/91/76/1350629176.db2.gz MOGAAWCYQSSKAR-UHFFFAOYSA-N -1 1 345.407 2.191 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)Cc1ccccc1 ZINC001603147310 1350649847 /nfs/dbraw/zinc/64/98/47/1350649847.db2.gz PDPNGCXKDOZWDN-UHFFFAOYSA-N -1 1 325.372 2.458 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)Cc1ccccc1 ZINC001603147310 1350649852 /nfs/dbraw/zinc/64/98/52/1350649852.db2.gz PDPNGCXKDOZWDN-UHFFFAOYSA-N -1 1 325.372 2.458 20 0 EEADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603211357 1350663017 /nfs/dbraw/zinc/66/30/17/1350663017.db2.gz PCKPSMNFBVGOKP-SECBINFHSA-N -1 1 343.313 2.360 20 0 EEADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603211357 1350663022 /nfs/dbraw/zinc/66/30/22/1350663022.db2.gz PCKPSMNFBVGOKP-SECBINFHSA-N -1 1 343.313 2.360 20 0 EEADMM CC(C)[C@H](O)C1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001603231264 1350666581 /nfs/dbraw/zinc/66/65/81/1350666581.db2.gz PNVMEQQNUPBZHW-QMMMGPOBSA-N -1 1 328.829 2.186 20 0 EEADMM CC(C)C[C@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603259267 1350673947 /nfs/dbraw/zinc/67/39/47/1350673947.db2.gz FDUAYIIMAXUFGT-NSHDSACASA-N -1 1 329.404 2.230 20 0 EEADMM CC(C)CCN(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001603283451 1350679349 /nfs/dbraw/zinc/67/93/49/1350679349.db2.gz ORCNNYPZAPAKMZ-UHFFFAOYSA-N -1 1 342.325 2.399 20 0 EEADMM CC(C)SCCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603377265 1350698402 /nfs/dbraw/zinc/69/84/02/1350698402.db2.gz QZWCDJHMSUGFEL-UHFFFAOYSA-N -1 1 347.857 2.240 20 0 EEADMM CC(C)n1ncc2cc(NCc3nc(-c4nnn[n-]4)cs3)cnc21 ZINC001603436439 1350705296 /nfs/dbraw/zinc/70/52/96/1350705296.db2.gz SJYPXDZGRCEFDD-UHFFFAOYSA-N -1 1 341.404 2.261 20 0 EEADMM CC(C)n1ncc2cc(NCc3nc(-c4nn[n-]n4)cs3)cnc21 ZINC001603436439 1350705302 /nfs/dbraw/zinc/70/53/02/1350705302.db2.gz SJYPXDZGRCEFDD-UHFFFAOYSA-N -1 1 341.404 2.261 20 0 EEADMM CC(C)(C)c1ccccc1NC(=O)CN[C@@H](C(=O)[O-])C1CCOCC1 ZINC001603544744 1350718113 /nfs/dbraw/zinc/71/81/13/1350718113.db2.gz HHPJAKPLNLRMJA-QGZVFWFLSA-N -1 1 348.443 2.392 20 0 EEADMM C[C@H](Cc1ccccc1F)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603583919 1350724653 /nfs/dbraw/zinc/72/46/53/1350724653.db2.gz AQXOGRFWUHOWJB-SECBINFHSA-N -1 1 331.376 2.428 20 0 EEADMM C[C@@]1(Br)C[C@H]1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603735999 1350755351 /nfs/dbraw/zinc/75/53/51/1350755351.db2.gz AZZFKKMIYJMKPR-WRWORJQWSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@@]1(Br)C[C@H]1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603735999 1350755356 /nfs/dbraw/zinc/75/53/56/1350755356.db2.gz AZZFKKMIYJMKPR-WRWORJQWSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@@H]1C[C@@H]1CNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001603870294 1350787830 /nfs/dbraw/zinc/78/78/30/1350787830.db2.gz GUMLPUORVFAOHG-RKDXNWHRSA-N -1 1 349.441 2.016 20 0 EEADMM C[C@@H]1CCSCCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001603911853 1350801020 /nfs/dbraw/zinc/80/10/20/1350801020.db2.gz XSRQAVAOWYCEHU-SNVBAGLBSA-N -1 1 342.428 2.316 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)n1 ZINC001604028089 1350834228 /nfs/dbraw/zinc/83/42/28/1350834228.db2.gz XPDDCLRXCRNWGY-UHFFFAOYSA-N -1 1 330.348 2.374 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)n1 ZINC001604028089 1350834230 /nfs/dbraw/zinc/83/42/30/1350834230.db2.gz XPDDCLRXCRNWGY-UHFFFAOYSA-N -1 1 330.348 2.374 20 0 EEADMM CCCOc1cc(C)ccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001604230015 1350899457 /nfs/dbraw/zinc/89/94/57/1350899457.db2.gz KTDIKEVTWZTJNH-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM CCCOc1cc(C)ccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001604230015 1350899463 /nfs/dbraw/zinc/89/94/63/1350899463.db2.gz KTDIKEVTWZTJNH-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM C[C@@H](NCc1ccc(NS(C)(=O)=O)cc1)c1cc(C(=O)[O-])co1 ZINC001604346710 1350921019 /nfs/dbraw/zinc/92/10/19/1350921019.db2.gz NTOTXSSBQUCCIS-SNVBAGLBSA-N -1 1 338.385 2.200 20 0 EEADMM CCOC(=O)c1cnn(CCc2ccc(CC)cc2)c1-c1nn[n-]n1 ZINC001604390337 1350927942 /nfs/dbraw/zinc/92/79/42/1350927942.db2.gz HLZBPSHBRDEHJP-UHFFFAOYSA-N -1 1 340.387 2.045 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCc3ccccc3C2)n1 ZINC001604543164 1350958510 /nfs/dbraw/zinc/95/85/10/1350958510.db2.gz QFPKAEIGEKNXAA-CQSZACIVSA-N -1 1 335.415 2.213 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCc3ccccc3C2)n1 ZINC001604543164 1350958513 /nfs/dbraw/zinc/95/85/13/1350958513.db2.gz QFPKAEIGEKNXAA-CQSZACIVSA-N -1 1 335.415 2.213 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC001604546965 1350959023 /nfs/dbraw/zinc/95/90/23/1350959023.db2.gz CPVIBPZORYMGMX-UHFFFAOYSA-N -1 1 341.806 2.435 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC001604546965 1350959025 /nfs/dbraw/zinc/95/90/25/1350959025.db2.gz CPVIBPZORYMGMX-UHFFFAOYSA-N -1 1 341.806 2.435 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCSC[C@@H]2c2cnn(C)c2)O1 ZINC001604610020 1350969808 /nfs/dbraw/zinc/96/98/08/1350969808.db2.gz KQRNAYFKJDFXSZ-UKRRQHHQSA-N -1 1 337.445 2.048 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](C)c2cn(-c3ccccc3)nn2)O1 ZINC001604613523 1350970291 /nfs/dbraw/zinc/97/02/91/1350970291.db2.gz LFLXKQIOQOGPCW-FZMZJTMJSA-N -1 1 328.372 2.065 20 0 EEADMM C[C@H]1[C@@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001604637421 1350974565 /nfs/dbraw/zinc/97/45/65/1350974565.db2.gz RZQCHRKPTFXKNR-CABZTGNLSA-N -1 1 328.315 2.022 20 0 EEADMM CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604658480 1350979749 /nfs/dbraw/zinc/97/97/49/1350979749.db2.gz RPICGRDLNKQOPW-UHFFFAOYSA-N -1 1 345.366 2.329 20 0 EEADMM CN(C(=O)c1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604658480 1350979750 /nfs/dbraw/zinc/97/97/50/1350979750.db2.gz RPICGRDLNKQOPW-UHFFFAOYSA-N -1 1 345.366 2.329 20 0 EEADMM CC1CCN(C(=O)CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)CC1 ZINC001604743880 1350995537 /nfs/dbraw/zinc/99/55/37/1350995537.db2.gz ZPORCUHZMLZRSA-SFHVURJKSA-N -1 1 336.407 2.364 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CC(C)(C)c1ccccc1 ZINC001604790505 1351004663 /nfs/dbraw/zinc/00/46/63/1351004663.db2.gz LKHXQUJOSLECIP-HNNXBMFYSA-N -1 1 332.444 2.362 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(Cl)c1F ZINC001604792971 1351005632 /nfs/dbraw/zinc/00/56/32/1351005632.db2.gz KRZSYAIXRRHVAD-VIFPVBQESA-N -1 1 346.761 2.239 20 0 EEADMM CN1CCC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001604857966 1351020833 /nfs/dbraw/zinc/02/08/33/1351020833.db2.gz MOWNFDKSUUDHGF-CYBMUJFWSA-N -1 1 338.371 2.161 20 0 EEADMM CN1CCC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001604857966 1351020835 /nfs/dbraw/zinc/02/08/35/1351020835.db2.gz MOWNFDKSUUDHGF-CYBMUJFWSA-N -1 1 338.371 2.161 20 0 EEADMM CC[C@@H]1[C@H](CO)CCN1Cc1oc(Br)cc1C(=O)[O-] ZINC001605151836 1351089599 /nfs/dbraw/zinc/08/95/99/1351089599.db2.gz PBZAFPFGEPRPEE-WCBMZHEXSA-N -1 1 332.194 2.333 20 0 EEADMM CO[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001605007429 1351051401 /nfs/dbraw/zinc/05/14/01/1351051401.db2.gz ANZMPFAPAPFOOT-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001605007429 1351051403 /nfs/dbraw/zinc/05/14/03/1351051403.db2.gz ANZMPFAPAPFOOT-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](COC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001605007911 1351051940 /nfs/dbraw/zinc/05/19/40/1351051940.db2.gz FJBANBQBWVYMDD-AWEZNQCLSA-N -1 1 328.328 2.313 20 0 EEADMM CO[C@@H](COC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001605007911 1351051941 /nfs/dbraw/zinc/05/19/41/1351051941.db2.gz FJBANBQBWVYMDD-AWEZNQCLSA-N -1 1 328.328 2.313 20 0 EEADMM CON(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@@H](C)c1ccccc1C ZINC001605139525 1351086350 /nfs/dbraw/zinc/08/63/50/1351086350.db2.gz GWMDMTGGWXFGCI-LBPRGKRZSA-N -1 1 338.371 2.335 20 0 EEADMM CON(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1C ZINC001605139525 1351086354 /nfs/dbraw/zinc/08/63/54/1351086354.db2.gz GWMDMTGGWXFGCI-LBPRGKRZSA-N -1 1 338.371 2.335 20 0 EEADMM COc1ccc([C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1F ZINC001605267892 1351120134 /nfs/dbraw/zinc/12/01/34/1351120134.db2.gz CNJKMGDVSFWDKC-GFCCVEGCSA-N -1 1 340.362 2.403 20 0 EEADMM COc1ccc([C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1F ZINC001605267892 1351120136 /nfs/dbraw/zinc/12/01/36/1351120136.db2.gz CNJKMGDVSFWDKC-GFCCVEGCSA-N -1 1 340.362 2.403 20 0 EEADMM CCCNC(=O)c1cccc(CNCc2cc(C(=O)[O-])n(C)c2)c1 ZINC001605336347 1351140201 /nfs/dbraw/zinc/14/02/01/1351140201.db2.gz UEGBYFQFUQEJFK-UHFFFAOYSA-N -1 1 329.400 2.153 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001605392515 1351152232 /nfs/dbraw/zinc/15/22/32/1351152232.db2.gz IKHXRMYKLLVBMH-VIFPVBQESA-N -1 1 348.407 2.045 20 0 EEADMM CCN(CC(=O)N1CCCCCC1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001605411646 1351155760 /nfs/dbraw/zinc/15/57/60/1351155760.db2.gz UYQUSRZWVBXWJT-UHFFFAOYSA-N -1 1 348.443 2.375 20 0 EEADMM Cc1[nH]c(-c2nn[nH]n2)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001605452906 1351161176 /nfs/dbraw/zinc/16/11/76/1351161176.db2.gz PHKWZOGXNSRLTE-UHFFFAOYSA-N -1 1 336.714 2.254 20 0 EEADMM Cc1cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC001605661547 1351212793 /nfs/dbraw/zinc/21/27/93/1351212793.db2.gz YZMBMRXXQSCARX-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM CN(CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H]1CCC[C@H]1O ZINC001606082986 1351267899 /nfs/dbraw/zinc/26/78/99/1351267899.db2.gz VGPROWXELIGRDQ-IAGOWNOFSA-N -1 1 342.395 2.322 20 0 EEADMM Cc1nc2c(s1)[C@@H](OC(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001606082592 1351268224 /nfs/dbraw/zinc/26/82/24/1351268224.db2.gz SVFUCPBEGGLCCQ-LBPRGKRZSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nc2c(s1)[C@@H](OC(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001606082592 1351268228 /nfs/dbraw/zinc/26/82/28/1351268228.db2.gz SVFUCPBEGGLCCQ-LBPRGKRZSA-N -1 1 342.384 2.261 20 0 EEADMM Clc1ccc(CN(c2cc(-c3nnn[n-]3)ncn2)C2CC2)cc1 ZINC001606190661 1351283499 /nfs/dbraw/zinc/28/34/99/1351283499.db2.gz IBDQTCRLAIJEQH-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(CN(c2cc(-c3nn[n-]n3)ncn2)C2CC2)cc1 ZINC001606190661 1351283502 /nfs/dbraw/zinc/28/35/02/1351283502.db2.gz IBDQTCRLAIJEQH-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1sc(Nc2cnn(-c3ccccn3)c2)nc1-c1nn[n-]n1 ZINC001606200886 1351284888 /nfs/dbraw/zinc/28/48/88/1351284888.db2.gz JOEUQTUDZUAZFF-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM Fc1cccc(OC[C@@H]2CCC[C@]3(CCOC3)O2)c1-c1nnn[n-]1 ZINC001606328775 1351293508 /nfs/dbraw/zinc/29/35/08/1351293508.db2.gz HUQAZNPKAQGNBF-MEDUHNTESA-N -1 1 334.351 2.113 20 0 EEADMM Fc1cccc(OC[C@@H]2CCC[C@]3(CCOC3)O2)c1-c1nn[n-]n1 ZINC001606328775 1351293509 /nfs/dbraw/zinc/29/35/09/1351293509.db2.gz HUQAZNPKAQGNBF-MEDUHNTESA-N -1 1 334.351 2.113 20 0 EEADMM O=C(C=Cc1ccsc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606487136 1351310356 /nfs/dbraw/zinc/31/03/56/1351310356.db2.gz GXNBWIYNQBQBIW-ZZXKWVIFSA-N -1 1 338.396 2.316 20 0 EEADMM O=C(C=Cc1ccsc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606487136 1351310359 /nfs/dbraw/zinc/31/03/59/1351310359.db2.gz GXNBWIYNQBQBIW-ZZXKWVIFSA-N -1 1 338.396 2.316 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@H]1CCCC1(F)F ZINC001606596970 1351329474 /nfs/dbraw/zinc/32/94/74/1351329474.db2.gz ZZDYCTMAEVKTRD-LLVKDONJSA-N -1 1 337.330 2.173 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@H]1CCCC1(F)F ZINC001606596970 1351329476 /nfs/dbraw/zinc/32/94/76/1351329476.db2.gz ZZDYCTMAEVKTRD-LLVKDONJSA-N -1 1 337.330 2.173 20 0 EEADMM O=C(N[C@H](c1ccccn1)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606638691 1351335461 /nfs/dbraw/zinc/33/54/61/1351335461.db2.gz QBGMHVHXIIDMTA-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(NC1([C@@H]2CCCCO2)CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001606640441 1351335920 /nfs/dbraw/zinc/33/59/20/1351335920.db2.gz CEPJTEHKOHGXPM-LBPRGKRZSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646443 1351336580 /nfs/dbraw/zinc/33/65/80/1351336580.db2.gz CYZROMWCGXJCCD-RAIGVLPGSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646443 1351336584 /nfs/dbraw/zinc/33/65/84/1351336584.db2.gz CYZROMWCGXJCCD-RAIGVLPGSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccsc1-c1nnn[n-]1 ZINC001606723495 1351346992 /nfs/dbraw/zinc/34/69/92/1351346992.db2.gz PLLZRSAUGHFPJM-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NC[C@H]1CCC2(CCCC2)O1)c1ccsc1-c1nn[n-]n1 ZINC001606723495 1351346997 /nfs/dbraw/zinc/34/69/97/1351346997.db2.gz PLLZRSAUGHFPJM-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NCC1CCCCCC1 ZINC001606844549 1351365875 /nfs/dbraw/zinc/36/58/75/1351365875.db2.gz RREGDGKVXBUEPN-UHFFFAOYSA-N -1 1 335.437 2.093 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NCC1CCCCCC1 ZINC001606844549 1351365880 /nfs/dbraw/zinc/36/58/80/1351365880.db2.gz RREGDGKVXBUEPN-UHFFFAOYSA-N -1 1 335.437 2.093 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc(C(F)F)nc1 ZINC001606892182 1351370570 /nfs/dbraw/zinc/37/05/70/1351370570.db2.gz AAEHYBYVGXOJPP-UHFFFAOYSA-N -1 1 346.301 2.052 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(-c2ccc(F)cc2)o1 ZINC001606945909 1351381785 /nfs/dbraw/zinc/38/17/85/1351381785.db2.gz SCOBTERPPDMXEU-UHFFFAOYSA-N -1 1 339.290 2.241 20 0 EEADMM O=C(Nc1cnn(CC2CC2)c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606946993 1351381830 /nfs/dbraw/zinc/38/18/30/1351381830.db2.gz GFYCHDGNISIFKQ-UHFFFAOYSA-N -1 1 345.313 2.004 20 0 EEADMM O=C(Nc1cnn(CC2CC2)c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606946993 1351381834 /nfs/dbraw/zinc/38/18/34/1351381834.db2.gz GFYCHDGNISIFKQ-UHFFFAOYSA-N -1 1 345.313 2.004 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]1c1ccccc1 ZINC001606985878 1351393147 /nfs/dbraw/zinc/39/31/47/1351393147.db2.gz ZCVUTOIFCAILQG-WDEREUQCSA-N -1 1 327.369 2.170 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]1c1ccccc1 ZINC001606985878 1351393150 /nfs/dbraw/zinc/39/31/50/1351393150.db2.gz ZCVUTOIFCAILQG-WDEREUQCSA-N -1 1 327.369 2.170 20 0 EEADMM O=C1OCCN1c1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1F ZINC001607054405 1351404473 /nfs/dbraw/zinc/40/44/73/1351404473.db2.gz BEIFCZHOAMHDMH-UHFFFAOYSA-N -1 1 344.306 2.168 20 0 EEADMM O=C1OCCN1c1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1F ZINC001607054405 1351404474 /nfs/dbraw/zinc/40/44/74/1351404474.db2.gz BEIFCZHOAMHDMH-UHFFFAOYSA-N -1 1 344.306 2.168 20 0 EEADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NC1CCCCCC1 ZINC001607059810 1351405522 /nfs/dbraw/zinc/40/55/22/1351405522.db2.gz RTJDXBWMUTTZQO-UHFFFAOYSA-N -1 1 341.462 2.070 20 0 EEADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nn[nH]n2)o1 ZINC001607068563 1351406731 /nfs/dbraw/zinc/40/67/31/1351406731.db2.gz FBMXKZXZAAPQKP-UHFFFAOYSA-N -1 1 343.727 2.053 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccccc1CF)CCC2 ZINC001607089396 1351413551 /nfs/dbraw/zinc/41/35/51/1351413551.db2.gz RTVIVYPNEUGIJO-UHFFFAOYSA-N -1 1 325.347 2.035 20 0 EEADMM c1ccc2c(c1)CO[C@@]21CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001607132849 1351434078 /nfs/dbraw/zinc/43/40/78/1351434078.db2.gz VCBHIEWTWWVFGT-GOSISDBHSA-N -1 1 334.383 2.288 20 0 EEADMM c1ccc2c(c1)CO[C@@]21CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001607132849 1351434080 /nfs/dbraw/zinc/43/40/80/1351434080.db2.gz VCBHIEWTWWVFGT-GOSISDBHSA-N -1 1 334.383 2.288 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001607171075 1351442569 /nfs/dbraw/zinc/44/25/69/1351442569.db2.gz OVTROCNWAXACJF-UHFFFAOYSA-N -1 1 346.311 2.109 20 0 EEADMM COc1ccc([C@@H](N[C@@H](C)c2cnc(C)nc2C)C(=O)[O-])cc1O ZINC001607230902 1351454274 /nfs/dbraw/zinc/45/42/74/1351454274.db2.gz GIOSOXZABWLADH-MGPLVRAMSA-N -1 1 331.372 2.284 20 0 EEADMM COc1ccc([C@@H](NCc2ccnc(F)c2C)C(=O)[O-])c(OC)c1 ZINC001607233783 1351455396 /nfs/dbraw/zinc/45/53/96/1351455396.db2.gz BAKCIIPWZCYXNR-OAHLLOKOSA-N -1 1 334.347 2.462 20 0 EEADMM Cc1[nH]c(C(=O)COC(=O)c2ccc3cncn3c2)c(C)c1C(=O)[O-] ZINC001607488706 1351503294 /nfs/dbraw/zinc/50/32/94/1351503294.db2.gz CYEYDZFAVGJWFU-UHFFFAOYSA-N -1 1 341.323 2.017 20 0 EEADMM Cc1[nH]c(CNCC(=O)Nc2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC001607496970 1351505550 /nfs/dbraw/zinc/50/55/50/1351505550.db2.gz NTPLZNPFBMCKKG-UHFFFAOYSA-N -1 1 341.289 2.167 20 0 EEADMM Cc1c(NS(=O)(=O)c2cnc3n2CCCC3)cccc1C(=O)[O-] ZINC001607554261 1351515240 /nfs/dbraw/zinc/51/52/40/1351515240.db2.gz NRAZYSHFMBRBLR-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1cc(CCC(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])n[nH]1 ZINC001607638223 1351530782 /nfs/dbraw/zinc/53/07/82/1351530782.db2.gz OKRPJOGVVPDVSY-CJNGLKHVSA-N -1 1 329.400 2.099 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001607739334 1351549807 /nfs/dbraw/zinc/54/98/07/1351549807.db2.gz NHCANOQRXKHFOW-GOEBONIOSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC001607739334 1351549809 /nfs/dbraw/zinc/54/98/09/1351549809.db2.gz NHCANOQRXKHFOW-GOEBONIOSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc2sc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cc2c1 ZINC001607835708 1351568337 /nfs/dbraw/zinc/56/83/37/1351568337.db2.gz VCKVQLVIMMNUDW-GFCCVEGCSA-N -1 1 329.381 2.359 20 0 EEADMM Cc1cnc(C(=O)Nc2cccnc2SCCC(=O)[O-])c(O)c1 ZINC001607905979 1351583646 /nfs/dbraw/zinc/58/36/46/1351583646.db2.gz YHFGWESCUWFGBR-UHFFFAOYSA-N -1 1 333.369 2.310 20 0 EEADMM Cc1nc(NC(=O)[C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)sc1C ZINC001607963232 1351594116 /nfs/dbraw/zinc/59/41/16/1351594116.db2.gz WFFDNXKWEZDBLZ-ZUZCIYMTSA-N -1 1 325.434 2.274 20 0 EEADMM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001608029284 1351609920 /nfs/dbraw/zinc/60/99/20/1351609920.db2.gz JWQRNAKZHDLLQX-HNNXBMFYSA-N -1 1 339.351 2.404 20 0 EEADMM Cn1cc(Br)c(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC001608093671 1351624181 /nfs/dbraw/zinc/62/41/81/1351624181.db2.gz PQMFFXOXLVEZOU-NOZJJQNGSA-N -1 1 330.226 2.306 20 0 EEADMM Cn1ncc(C(F)(F)F)c1CNCc1cccc(OCC(=O)[O-])c1 ZINC001608157070 1351637407 /nfs/dbraw/zinc/63/74/07/1351637407.db2.gz KGNZBKVPYBQLLP-UHFFFAOYSA-N -1 1 343.305 2.192 20 0 EEADMM Cn1nccc1[C@H](O)C1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001608164549 1351639067 /nfs/dbraw/zinc/63/90/67/1351639067.db2.gz NANUIHQQQHEULI-OAHLLOKOSA-N -1 1 335.429 2.125 20 0 EEADMM CC(C)c1nn(C)c2sc(C(=O)NCc3ccc([O-])nn3)cc12 ZINC001628192765 1352524970 /nfs/dbraw/zinc/52/49/70/1352524970.db2.gz GMGZALVHBBORCB-UHFFFAOYSA-N -1 1 331.401 2.184 20 0 EEADMM CSc1ncc(C(=O)Nc2cnn(-c3ccccc3F)c2)c(=O)[n-]1 ZINC001630940127 1352574726 /nfs/dbraw/zinc/57/47/26/1352574726.db2.gz MJHDVGINHHDGDD-UHFFFAOYSA-N -1 1 345.359 2.481 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cnc2cccnn21 ZINC001637145289 1352673420 /nfs/dbraw/zinc/67/34/20/1352673420.db2.gz FIZXNFXWKFKXLK-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM Cc1cc2occ(CC(=O)NCc3nc([O-])cc(=O)[nH]3)c2cc1C ZINC001642456513 1352731652 /nfs/dbraw/zinc/73/16/52/1352731652.db2.gz NTUWAQBBAALUBZ-UHFFFAOYSA-N -1 1 327.340 2.110 20 0 EEADMM CCCN(CC)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1CCOC ZINC001646808528 1352988126 /nfs/dbraw/zinc/98/81/26/1352988126.db2.gz ZMLQFQZTRLKSJK-UHFFFAOYSA-N -1 1 346.435 2.201 20 0 EEADMM CO[C@@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)CC1 ZINC001646928120 1353052382 /nfs/dbraw/zinc/05/23/82/1353052382.db2.gz KONVNJHBAUDDAT-KRWDZBQOSA-N -1 1 346.435 2.179 20 0 EEADMM CCC[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001388319679 1387363478 /nfs/dbraw/zinc/36/34/78/1387363478.db2.gz JJKDBDFKVNRLFD-IHRRRGAJSA-N -1 1 333.432 2.381 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H](C)CC1CCCC1 ZINC001388433847 1387459341 /nfs/dbraw/zinc/45/93/41/1387459341.db2.gz QJLQVOOCQJHWAB-ZIAGYGMSSA-N -1 1 347.459 2.486 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001388537567 1387531627 /nfs/dbraw/zinc/53/16/27/1387531627.db2.gz VKJMVTMUTLWUKA-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CN(C)c1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1 ZINC000345900684 1368138097 /nfs/dbraw/zinc/13/80/97/1368138097.db2.gz JYSTXEOLKCOOTN-UHFFFAOYSA-N -1 1 338.371 2.097 20 0 EEADMM CCS[C@H](C(=O)Nc1ccc(OCc2nn[n-]n2)cc1)C(C)C ZINC000346101763 1368138171 /nfs/dbraw/zinc/13/81/71/1368138171.db2.gz LRWKQFLOBLUYKR-AWEZNQCLSA-N -1 1 335.433 2.495 20 0 EEADMM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186896740 1368216156 /nfs/dbraw/zinc/21/61/56/1368216156.db2.gz WJGZMHDVOZTHRD-UHFFFAOYSA-N -1 1 337.788 2.339 20 0 EEADMM Cc1oncc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1F ZINC001187341869 1368239229 /nfs/dbraw/zinc/23/92/29/1368239229.db2.gz LUOXZKAYOHPJLH-UHFFFAOYSA-N -1 1 325.243 2.337 20 0 EEADMM Cc1cc(F)cc(C(=O)Nc2[n-]c(=O)nc3[nH]c(=O)[nH]c32)c1Cl ZINC001193323621 1368457272 /nfs/dbraw/zinc/45/72/72/1368457272.db2.gz ZUCZJZKDCGLFFD-UHFFFAOYSA-N -1 1 337.698 2.069 20 0 EEADMM Cc1cc(F)cc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1Cl ZINC001193323621 1368457273 /nfs/dbraw/zinc/45/72/73/1368457273.db2.gz ZUCZJZKDCGLFFD-UHFFFAOYSA-N -1 1 337.698 2.069 20 0 EEADMM O=S(=O)([N-][C@H]1CCCOC1)c1c(F)cccc1Br ZINC001201019921 1368772116 /nfs/dbraw/zinc/77/21/16/1368772116.db2.gz XEIYUPKSWCGKNT-QMMMGPOBSA-N -1 1 338.198 2.046 20 0 EEADMM Cc1cccc(OCCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000005985878 1369009265 /nfs/dbraw/zinc/00/92/65/1369009265.db2.gz VUUSDOBORUZPSN-UHFFFAOYSA-N -1 1 341.363 2.264 20 0 EEADMM CC[C@@H](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001489691161 1369155791 /nfs/dbraw/zinc/15/57/91/1369155791.db2.gz VZCVDGUGJHELDI-MGPQQGTHSA-N -1 1 333.432 2.381 20 0 EEADMM CCC(C)(C)CC(=O)N1CCCC[C@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001389359760 1388071980 /nfs/dbraw/zinc/07/19/80/1388071980.db2.gz VOOZOFDAXKDCBP-STQMWFEESA-N -1 1 337.468 2.196 20 0 EEADMM C[C@H]1C[C@H](NC(=O)CC(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001074831930 1370956001 /nfs/dbraw/zinc/95/60/01/1370956001.db2.gz XWLXGNDIZNSEKV-QWHCGFSZSA-N -1 1 333.432 2.333 20 0 EEADMM CC[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)C(=O)[O-] ZINC000780620803 1371168674 /nfs/dbraw/zinc/16/86/74/1371168674.db2.gz VJUOTFFKPLHKMX-STQMWFEESA-N -1 1 327.812 2.105 20 0 EEADMM CCC(CC)N1C[C@@H](C(=O)[N-]OCc2ccccc2OC)CC1=O ZINC000799096371 1371628152 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CCC[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(=O)OC ZINC000849385064 1373254516 /nfs/dbraw/zinc/25/45/16/1373254516.db2.gz UCHDBXYVTWPMIX-GFCCVEGCSA-N -1 1 337.800 2.240 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001362517620 1373426507 /nfs/dbraw/zinc/42/65/07/1373426507.db2.gz WJIOBPISFSHQQJ-ZDUSSCGKSA-N -1 1 336.294 2.393 20 0 EEADMM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@@H](C)C(=O)Nc1ncccc1O ZINC001362517351 1373426667 /nfs/dbraw/zinc/42/66/67/1373426667.db2.gz JZPIABTXSIHHIM-NXEZZACHSA-N -1 1 347.346 2.025 20 0 EEADMM Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2ccc(F)c([O-])c2)c1 ZINC001362699231 1373452189 /nfs/dbraw/zinc/45/21/89/1373452189.db2.gz JAXHQAGLQQGIIB-INIZCTEOSA-N -1 1 328.343 2.153 20 0 EEADMM NC(=O)NC(=O)c1cccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001362704350 1373453089 /nfs/dbraw/zinc/45/30/89/1373453089.db2.gz OFBCDDUGEBKWPP-UHFFFAOYSA-N -1 1 347.758 2.035 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001362717035 1373454844 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CCC[C@@H](CC)C(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373046322 1376372401 /nfs/dbraw/zinc/37/24/01/1376372401.db2.gz GJMFDWRMWWMBAF-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)(C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1)C1CC1 ZINC001374372939 1376743368 /nfs/dbraw/zinc/74/33/68/1376743368.db2.gz QZWFIAMHICUPMH-CQSZACIVSA-N -1 1 349.479 2.101 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H](NC/C(Cl)=C/Cl)C(C)C)c1[O-] ZINC001374417878 1376796797 /nfs/dbraw/zinc/79/67/97/1376796797.db2.gz XALONANOTFMDLK-ZUYFITGHSA-N -1 1 335.235 2.087 20 0 EEADMM Cc1cc(C(=O)N[C@](C)(CNC(=O)c2ncccc2[O-])C2CC2)co1 ZINC001375352112 1377649953 /nfs/dbraw/zinc/64/99/53/1377649953.db2.gz JFJZTYLVRCVMEV-GOSISDBHSA-N -1 1 343.383 2.017 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])Cc1ccncc1Cl ZINC001377477876 1379277492 /nfs/dbraw/zinc/27/74/92/1379277492.db2.gz HHVWRVPJFJHLCB-UHFFFAOYSA-N -1 1 348.834 2.478 20 0 EEADMM CC[C@H](CNC(=O)c1ccoc1C(C)C)NC(=O)c1ncccc1[O-] ZINC001390505795 1388659472 /nfs/dbraw/zinc/65/94/72/1388659472.db2.gz IFBKXYGCFIEOPR-GFCCVEGCSA-N -1 1 345.399 2.442 20 0 EEADMM CCCC1(C(=O)N2CC[C@@](C)(CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001379945401 1380955932 /nfs/dbraw/zinc/95/59/32/1380955932.db2.gz WIDOUVSHRZGRNI-SFHVURJKSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-])c1ccccc1 ZINC001380846060 1381399131 /nfs/dbraw/zinc/39/91/31/1381399131.db2.gz JQAAXIKHIYDALG-UONOGXRCSA-N -1 1 341.411 2.168 20 0 EEADMM CCC(CC)(CC)C(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001382532828 1382121354 /nfs/dbraw/zinc/12/13/54/1382121354.db2.gz FGZWOFWXGJATJC-LBPRGKRZSA-N -1 1 339.484 2.347 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1=CCCC1 ZINC001383219606 1382398169 /nfs/dbraw/zinc/39/81/69/1382398169.db2.gz JRRROCQLGTZHQC-CQSZACIVSA-N -1 1 331.416 2.158 20 0 EEADMM CCN(C(=O)[C@@H](C)c1ccco1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001384597357 1385024343 /nfs/dbraw/zinc/02/43/43/1385024343.db2.gz FGWPCRLQKPTKJY-OLZOCXBDSA-N -1 1 345.399 2.151 20 0 EEADMM CCCC1(C(=O)N2C[C@H]3CCN(C(=O)c4ncccc4[O-])C[C@H]32)CC1 ZINC001384843775 1385280164 /nfs/dbraw/zinc/28/01/64/1385280164.db2.gz XNXRDPHVQZMCHU-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cccc(C)c1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001391246437 1389164777 /nfs/dbraw/zinc/16/47/77/1389164777.db2.gz OYIINUKYRCYCBN-LBPRGKRZSA-N -1 1 341.411 2.200 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccccc1Cl ZINC001395071489 1390781376 /nfs/dbraw/zinc/78/13/76/1390781376.db2.gz XEZXIIRZCYNELF-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM CCc1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])cc1 ZINC001395169806 1390797920 /nfs/dbraw/zinc/79/79/20/1390797920.db2.gz OMJOXKLQCPYFQO-ZDUSSCGKSA-N -1 1 341.411 2.240 20 0 EEADMM CCCC[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001395238983 1390804966 /nfs/dbraw/zinc/80/49/66/1390804966.db2.gz GZLPZVYVSUKISE-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)n1cccc1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001395588361 1390841558 /nfs/dbraw/zinc/84/15/58/1390841558.db2.gz QCSBXEJUYNDCJW-ZDUSSCGKSA-N -1 1 344.415 2.060 20 0 EEADMM CC(C)(C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cnn[nH]2)C1)C1CCCC1 ZINC001395952025 1390886941 /nfs/dbraw/zinc/88/69/41/1390886941.db2.gz FKPDUVRVRYNFNF-TZMCWYRMSA-N -1 1 347.463 2.036 20 0 EEADMM CCC(C)(C)CC(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397450103 1391232376 /nfs/dbraw/zinc/23/23/76/1391232376.db2.gz VSBXVGKRDMGEFW-LLVKDONJSA-N -1 1 348.447 2.120 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)c1cccs1 ZINC001398092000 1391687608 /nfs/dbraw/zinc/68/76/08/1391687608.db2.gz ZYCGAJFALXIRHS-LBPRGKRZSA-N -1 1 347.440 2.231 20 0 EEADMM CCCN(CCNC(=O)Cc1cccs1)C(=O)c1ncccc1[O-] ZINC001398210056 1391846422 /nfs/dbraw/zinc/84/64/22/1391846422.db2.gz LNVWLLNWNDBPPJ-UHFFFAOYSA-N -1 1 347.440 2.060 20 0 EEADMM CCC(C)(C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398474389 1392954727 /nfs/dbraw/zinc/95/47/27/1392954727.db2.gz ARWNUTOXHUMMJU-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM C[C@@H](CNC(=O)c1ccccc1CC(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001398939085 1394340655 /nfs/dbraw/zinc/34/06/55/1394340655.db2.gz GUOHCKPARONZAY-LBPRGKRZSA-N -1 1 345.447 2.007 20 0 EEADMM C[C@@](CNC(=O)c1ncccc1[O-])(NC(=O)C1CCCCC1)C1CC1 ZINC001399175763 1394780941 /nfs/dbraw/zinc/78/09/41/1394780941.db2.gz TYUDAMBUPDCRHV-IBGZPJMESA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)c2ccsc2)C1 ZINC001400941598 1396748826 /nfs/dbraw/zinc/74/88/26/1396748826.db2.gz XKWRVIUOFAMRLI-KRWDZBQOSA-N -1 1 345.424 2.131 20 0 EEADMM CCc1ccc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)CC(C)C)cc1 ZINC001401271874 1397105445 /nfs/dbraw/zinc/10/54/45/1397105445.db2.gz LNSLIXPNUMQXOE-HNNXBMFYSA-N -1 1 345.447 2.007 20 0 EEADMM CCC[C@]1(COC)CCCN1S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001423999070 1400861797 /nfs/dbraw/zinc/86/17/97/1400861797.db2.gz VFTWFQBSQQBZLB-MRXNPFEDSA-N -1 1 343.445 2.371 20 0 EEADMM CC[C@H](C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001424890347 1401282127 /nfs/dbraw/zinc/28/21/27/1401282127.db2.gz KWTHRXFZQGPEDQ-JSGCOSHPSA-N -1 1 333.432 2.190 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)C2CCC2)CC1 ZINC001427840500 1402540759 /nfs/dbraw/zinc/54/07/59/1402540759.db2.gz PKNODHIRIBLANB-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H](NC(=O)CCC1CC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429971948 1402986781 /nfs/dbraw/zinc/98/67/81/1402986781.db2.gz HDUYGIFQVXAZLR-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](C)CCC(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001431269160 1403015763 /nfs/dbraw/zinc/01/57/63/1403015763.db2.gz SWFBIGHXSCNYKV-GFCCVEGCSA-N -1 1 348.447 2.074 20 0 EEADMM CCC[C@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)(C)C ZINC001577326138 1403640088 /nfs/dbraw/zinc/64/00/88/1403640088.db2.gz OJOLZYUVZCKDGT-NSHDSACASA-N -1 1 332.408 2.220 20 0 EEADMM CCOc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001578398100 1403746853 /nfs/dbraw/zinc/74/68/53/1403746853.db2.gz NDORKQZRRFHMKO-UHFFFAOYSA-N -1 1 338.371 2.150 20 0 EEADMM CCOc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001578398100 1403746860 /nfs/dbraw/zinc/74/68/60/1403746860.db2.gz NDORKQZRRFHMKO-UHFFFAOYSA-N -1 1 338.371 2.150 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ncc(C(C)C)s1 ZINC001580608683 1403862542 /nfs/dbraw/zinc/86/25/42/1403862542.db2.gz HAGQDKXSNNHDCB-UHFFFAOYSA-N -1 1 345.388 2.108 20 0 EEADMM CCc1[n-]n(-c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)c(=O)c1F ZINC001590500187 1403881550 /nfs/dbraw/zinc/88/15/50/1403881550.db2.gz PAYAOHMVFVDWPP-SNVBAGLBSA-N -1 1 342.256 2.336 20 0 EEADMM CCOC(=O)C[C@@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590761288 1403899733 /nfs/dbraw/zinc/89/97/33/1403899733.db2.gz WRAMLLJNAQIGNA-LLVKDONJSA-N -1 1 340.387 2.416 20 0 EEADMM CCOC(=O)C[C@@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590761288 1403899739 /nfs/dbraw/zinc/89/97/39/1403899739.db2.gz WRAMLLJNAQIGNA-LLVKDONJSA-N -1 1 340.387 2.416 20 0 EEADMM COC(=O)c1ccc(OC(=O)c2coc(-c3nnn[n-]3)c2)cc1Cl ZINC001591297179 1403903395 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Cc1nsc(NC(=O)Nc2ccc(O)cc2C)c1-c1nn[n-]n1 ZINC001592056535 1403990990 /nfs/dbraw/zinc/99/09/90/1403990990.db2.gz QRLNUSGNWBBBSI-UHFFFAOYSA-N -1 1 331.361 2.290 20 0 EEADMM Cc1nsc(NCCn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC001592491939 1404701167 /nfs/dbraw/zinc/70/11/67/1404701167.db2.gz WCSHWARWKZUQAD-UHFFFAOYSA-N -1 1 326.389 2.093 20 0 EEADMM Cc1nsc(Oc2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC001592494311 1404703635 /nfs/dbraw/zinc/70/36/35/1404703635.db2.gz XAQMVFHASCDTLZ-UHFFFAOYSA-N -1 1 326.345 2.005 20 0 EEADMM Cc1nsc(Oc2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC001592494311 1404703640 /nfs/dbraw/zinc/70/36/40/1404703640.db2.gz XAQMVFHASCDTLZ-UHFFFAOYSA-N -1 1 326.345 2.005 20 0 EEADMM O=C(NC[C@@H]1CC2CCC1CC2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593031313 1404736334 /nfs/dbraw/zinc/73/63/34/1404736334.db2.gz VYGQZHTWOUDNTE-MCIGGMRASA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@@H]1CC2CCC1CC2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593031313 1404736336 /nfs/dbraw/zinc/73/63/36/1404736336.db2.gz VYGQZHTWOUDNTE-MCIGGMRASA-N -1 1 327.392 2.210 20 0 EEADMM Cc1nc(NCCc2ccc3ncccc3c2)cc(-c2nnn[n-]2)n1 ZINC001606074870 1404763082 /nfs/dbraw/zinc/76/30/82/1404763082.db2.gz YGSOTDWHJZNHIR-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nc(NCCc2ccc3ncccc3c2)cc(-c2nn[n-]n2)n1 ZINC001606074870 1404763086 /nfs/dbraw/zinc/76/30/86/1404763086.db2.gz YGSOTDWHJZNHIR-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nsc(N2CCC[C@@H](OCC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001606145072 1404767469 /nfs/dbraw/zinc/76/74/69/1404767469.db2.gz UYZHBPTTZSYQDH-MRVPVSSYSA-N -1 1 348.354 2.179 20 0 EEADMM COC(=O)/C(C)=C/CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001606320180 1404791802 /nfs/dbraw/zinc/79/18/02/1404791802.db2.gz FWQMWLBVNHGFTK-QDEBKDIKSA-N -1 1 338.429 2.215 20 0 EEADMM COC(=O)[C@@H](CCC(=O)[O-])Sc1nc(-c2ccccc2F)n[nH]1 ZINC001606331706 1404795622 /nfs/dbraw/zinc/79/56/22/1404795622.db2.gz IASZPWXYMVOBOU-SNVBAGLBSA-N -1 1 339.348 2.109 20 0 EEADMM CC(C)(C)OC(=O)NCc1cccc(CNC[C@@H](F)C(=O)[O-])c1 ZINC001646052527 1404876226 /nfs/dbraw/zinc/87/62/26/1404876226.db2.gz GKWGPHGQWXCSAB-CYBMUJFWSA-N -1 1 326.368 2.224 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C[C@@H]1C=CCC1 ZINC001756273364 1408275681 /nfs/dbraw/zinc/27/56/81/1408275681.db2.gz QCHLGLZHYIROMC-UONOGXRCSA-N -1 1 331.416 2.158 20 0 EEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3CO)ccc2o1 ZINC000320591385 1409858863 /nfs/dbraw/zinc/85/88/63/1409858863.db2.gz XANZZKAZQQECEM-UHFFFAOYSA-N -1 1 331.349 2.086 20 0 EEADMM Cc1c[nH]c([C@]2(NC(=O)c3ncc4ccccc4c3[O-])CCOC2)n1 ZINC000854999816 1410392246 /nfs/dbraw/zinc/39/22/46/1410392246.db2.gz ZCYXYLYJEXKHMM-SFHVURJKSA-N -1 1 338.367 2.018 20 0 EEADMM Cc1cc(C)nc(N[C@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)n1 ZINC001069559505 1411060764 /nfs/dbraw/zinc/06/07/64/1411060764.db2.gz FEWRCNTWOMCPEH-AWEZNQCLSA-N -1 1 341.415 2.157 20 0 EEADMM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1ccc(F)cn1 ZINC000184014159 782479801 /nfs/dbraw/zinc/47/98/01/782479801.db2.gz YIDXCOFWYOLSDY-UHFFFAOYSA-N -1 1 339.779 2.427 20 0 EEADMM Cc1nc(C)c(C)c(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536664 761714723 /nfs/dbraw/zinc/71/47/23/761714723.db2.gz SDFDTNCGMZMLQD-JTQLQIEISA-N -1 1 329.404 2.075 20 0 EEADMM Cc1nccc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125857955 764987670 /nfs/dbraw/zinc/98/76/70/764987670.db2.gz REOMAIGPOGSRAB-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138312 782674080 /nfs/dbraw/zinc/67/40/80/782674080.db2.gz QAFVRDOXCSFWIS-BDAKNGLRSA-N -1 1 345.193 2.445 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001089464744 769518546 /nfs/dbraw/zinc/51/85/46/769518546.db2.gz KPVYZPYQPRFCTD-STQMWFEESA-N -1 1 349.479 2.053 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]CC=C(Cl)Cl)c(C(F)(F)F)n1 ZINC000920031127 770516825 /nfs/dbraw/zinc/51/68/25/770516825.db2.gz YNXJBHNXUSWFRT-UHFFFAOYSA-N -1 1 338.138 2.036 20 0 EEADMM O=S(=O)([N-]CC1(Br)CC1)c1cc(F)c(F)c(F)c1 ZINC000920063395 770536969 /nfs/dbraw/zinc/53/69/69/770536969.db2.gz KJOMKEGBFPLSGQ-UHFFFAOYSA-N -1 1 344.152 2.310 20 0 EEADMM O=C(C[C@H]1CC=CCC1)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979663473 770805073 /nfs/dbraw/zinc/80/50/73/770805073.db2.gz AEWNHICCSYIWGT-KKUMJFAQSA-N -1 1 343.427 2.158 20 0 EEADMM CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979783985 773276451 /nfs/dbraw/zinc/27/64/51/773276451.db2.gz BMCPCGGVZYSKNP-XQQFMLRXSA-N -1 1 347.390 2.017 20 0 EEADMM CCOC(=O)[C@@H](C[C@H](C)CC)[N-]S(=O)(=O)CCC(F)(F)F ZINC000921382949 773318482 /nfs/dbraw/zinc/31/84/82/773318482.db2.gz MIWHIVCHYLXMGS-NXEZZACHSA-N -1 1 333.372 2.226 20 0 EEADMM C[C@H](CO)N(Cc1ccccc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000921462283 773360980 /nfs/dbraw/zinc/36/09/80/773360980.db2.gz NWSUBOMOVAMCDH-GFCCVEGCSA-N -1 1 327.384 2.083 20 0 EEADMM C[C@@H](C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC000980147204 773948233 /nfs/dbraw/zinc/94/82/33/773948233.db2.gz VTPHKFCLJBGVHJ-LRVUVFPRSA-N -1 1 345.443 2.381 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000942757756 783144536 /nfs/dbraw/zinc/14/45/36/783144536.db2.gz IUDSMBBCFRUREB-GFCCVEGCSA-N -1 1 345.424 2.226 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC000942759526 783149580 /nfs/dbraw/zinc/14/95/80/783149580.db2.gz YATPWQZANAMSGV-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000938747768 774566759 /nfs/dbraw/zinc/56/67/59/774566759.db2.gz JBOCFCIKRLIWFU-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000938771319 774608156 /nfs/dbraw/zinc/60/81/56/774608156.db2.gz POAXGEVDIJMSRK-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000980894421 775976817 /nfs/dbraw/zinc/97/68/17/775976817.db2.gz HVIBKNLFVYOCET-RRFJBIMHSA-N -1 1 343.427 2.158 20 0 EEADMM CCc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000940134986 778144422 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COC(=O)[C@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805603471 783595555 /nfs/dbraw/zinc/59/55/55/783595555.db2.gz KPMXVLJNIFAUMO-SNVBAGLBSA-N -1 1 330.127 2.183 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000816740921 784231006 /nfs/dbraw/zinc/23/10/06/784231006.db2.gz RGAMWZKEYCSZAB-UHFFFAOYSA-N -1 1 338.408 2.399 20 0 EEADMM COCc1nsc([N-]C(=O)c2nc(F)ccc2Br)n1 ZINC000816969224 784398190 /nfs/dbraw/zinc/39/81/90/784398190.db2.gz GEPKFEPDKBXNRW-UHFFFAOYSA-N -1 1 347.169 2.233 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000945660081 784580583 /nfs/dbraw/zinc/58/05/83/784580583.db2.gz WAIKIVDAFBKDTJ-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1ccc(C(F)F)cc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480978 784687828 /nfs/dbraw/zinc/68/78/28/784687828.db2.gz RHQBSGHHUXJTKV-SNVBAGLBSA-N -1 1 343.334 2.207 20 0 EEADMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000817356915 784695018 /nfs/dbraw/zinc/69/50/18/784695018.db2.gz 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Cc1nc([C@@H]2CCCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C2)n[nH]1 ZINC000911325871 787378195 /nfs/dbraw/zinc/37/81/95/787378195.db2.gz VOOIRPDDJMDUMK-NLNFPOJYSA-N -1 1 346.431 2.244 20 0 EEADMM CN(CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])Cc1ccco1 ZINC000911542750 787537311 /nfs/dbraw/zinc/53/73/11/787537311.db2.gz XJMSRWCBMRKOAJ-CVEARBPZSA-N -1 1 336.432 2.451 20 0 EEADMM Cc1cc(C2CCN(C(=O)c3c(C)coc3CC(=O)[O-])CC2)n[nH]1 ZINC000911650960 787621095 /nfs/dbraw/zinc/62/10/95/787621095.db2.gz IHYZATLLRNVEPN-UHFFFAOYSA-N -1 1 331.372 2.266 20 0 EEADMM CCCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)[C@@H](C)C(=O)[O-] ZINC000911715907 787653695 /nfs/dbraw/zinc/65/36/95/787653695.db2.gz ZSVJFHCYNWAXON-NSHDSACASA-N -1 1 331.372 2.411 20 0 EEADMM C[C@@H](CCNC(=O)[C@@H]1CC[C@@H](C)CC1)NC(=O)c1ncccc1[O-] ZINC001077646996 787978169 /nfs/dbraw/zinc/97/81/69/787978169.db2.gz AJTJGOOXBQXNGM-IHRRRGAJSA-N -1 1 333.432 2.238 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](C)OCc1cccc(C)c1)c1nn[n-]n1 ZINC000912858528 788415605 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CO[C@@](C)(CNC(=O)c1ncccc1[O-])COCc1ccccc1 ZINC000617680288 469757653 /nfs/dbraw/zinc/75/76/53/469757653.db2.gz DWVWQFPTPZDBIH-SFHVURJKSA-N -1 1 330.384 2.139 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2CCc3ccccc3CC2)CC1 ZINC000630220026 469768465 /nfs/dbraw/zinc/76/84/65/469768465.db2.gz LCGULPKAOQOBCA-OAHLLOKOSA-N -1 1 344.455 2.189 20 0 EEADMM CSc1ccc(C)c(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000630222755 469770684 /nfs/dbraw/zinc/77/06/84/469770684.db2.gz BMCXTGHRCSIINW-UHFFFAOYSA-N -1 1 336.457 2.338 20 0 EEADMM Cc1cc(F)cc2[nH]c(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc21 ZINC000630226385 469773268 /nfs/dbraw/zinc/77/32/68/469773268.db2.gz VVGWLSXYKWFXFO-GFCCVEGCSA-N -1 1 347.390 2.236 20 0 EEADMM O=C(NCc1cccc(COC[C@@H]2CCCO2)c1)c1cncc([O-])c1 ZINC000620760646 469907733 /nfs/dbraw/zinc/90/77/33/469907733.db2.gz AVHVDJHELKCALH-SFHVURJKSA-N -1 1 342.395 2.413 20 0 EEADMM Cc1nnc(CN(C)C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)s1 ZINC000620840467 469932396 /nfs/dbraw/zinc/93/23/96/469932396.db2.gz 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ZINC000645715562 470391305 /nfs/dbraw/zinc/39/13/05/470391305.db2.gz LGSWYZXBZVRSSM-GHMZBOCLSA-N -1 1 338.351 2.072 20 0 EEADMM Cn1c(=O)oc2ccc(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)cc21 ZINC000635019124 470404098 /nfs/dbraw/zinc/40/40/98/470404098.db2.gz UFMWKOOKNNIPDB-OAHLLOKOSA-N -1 1 338.363 2.316 20 0 EEADMM CSc1nc(CNc2nc(C3CC3)nc3[nH]ccc32)cc(=O)[n-]1 ZINC000641657436 470438004 /nfs/dbraw/zinc/43/80/04/470438004.db2.gz RTUFHZNXTYPLQW-UHFFFAOYSA-N -1 1 328.401 2.665 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000649067856 470448470 /nfs/dbraw/zinc/44/84/70/470448470.db2.gz YVDULSJODNXWHJ-WDEREUQCSA-N -1 1 335.404 2.185 20 0 EEADMM O=C(CCCc1nn[n-]n1)N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000635166879 470461050 /nfs/dbraw/zinc/46/10/50/470461050.db2.gz BBUDWBFAVPUJNE-UHFFFAOYSA-N -1 1 338.415 2.410 20 0 EEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000641795513 470484564 /nfs/dbraw/zinc/48/45/64/470484564.db2.gz HNOLMCLIEHGHFS-OLZOCXBDSA-N -1 1 348.399 2.319 20 0 EEADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CCCc1nn[n-]n1 ZINC000635551331 470649375 /nfs/dbraw/zinc/64/93/75/470649375.db2.gz LZELEJLOFNZPGO-JTQLQIEISA-N -1 1 341.337 2.289 20 0 EEADMM CC[C@@H](CS(=O)(=O)[N-]c1cc(CCc2ccccc2)[nH]n1)OC ZINC000643276320 470651488 /nfs/dbraw/zinc/65/14/88/470651488.db2.gz YGOPLMLNPPWZCI-HNNXBMFYSA-N -1 1 337.445 2.362 20 0 EEADMM CO[C@H](C)c1nc(=NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s[n-]1 ZINC000637234996 470655937 /nfs/dbraw/zinc/65/59/37/470655937.db2.gz MOQOPJDTSGXUNN-OCCSQVGLSA-N -1 1 346.456 2.128 20 0 EEADMM CO[C@H](C)c1nc(=NC(=O)[C@H]2CCN(Cc3ccccc3)C2)s[n-]1 ZINC000637234996 470655942 /nfs/dbraw/zinc/65/59/42/470655942.db2.gz MOQOPJDTSGXUNN-OCCSQVGLSA-N -1 1 346.456 2.128 20 0 EEADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCCc1nn[n-]n1 ZINC000635783431 470752512 /nfs/dbraw/zinc/75/25/12/470752512.db2.gz VRBKUHZFBKUINM-JTQLQIEISA-N -1 1 341.337 2.289 20 0 EEADMM CCc1nc(S(=O)(=O)Cc2cccc(OC(F)(F)F)c2)n[n-]1 ZINC000650193052 470820092 /nfs/dbraw/zinc/82/00/92/470820092.db2.gz WQTIBFGKPKFDEF-UHFFFAOYSA-N -1 1 335.307 2.240 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1cncc(Br)c1)C(C)C ZINC000647270587 470872841 /nfs/dbraw/zinc/87/28/41/470872841.db2.gz BIZNGHVBDJFCEX-LLVKDONJSA-N -1 1 337.239 2.257 20 0 EEADMM C[C@@H](c1ccccc1F)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000650498962 470893674 /nfs/dbraw/zinc/89/36/74/470893674.db2.gz DAXAWBXSQZNRPA-STQMWFEESA-N -1 1 334.391 2.284 20 0 EEADMM CSc1nc(CNC(=O)[C@H]2CCc3cc(C)ccc3O2)cc(=O)[n-]1 ZINC000640654831 470986797 /nfs/dbraw/zinc/98/67/97/470986797.db2.gz AWTIWRLUNDBAJY-CQSZACIVSA-N -1 1 345.424 2.223 20 0 EEADMM CSc1nc(CNC(=O)[C@@H]2CCc3ccccc3C2)cc(=O)[n-]1 ZINC000640655699 470987031 /nfs/dbraw/zinc/98/70/31/470987031.db2.gz QMLKHMRVGLMCOQ-CYBMUJFWSA-N -1 1 329.425 2.325 20 0 EEADMM CCc1ccc(OCC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1 ZINC000640658482 470987906 /nfs/dbraw/zinc/98/79/06/470987906.db2.gz QEYOLRAVTXFMAM-UHFFFAOYSA-N -1 1 333.413 2.162 20 0 EEADMM CSc1nc(CNC(=O)CO[C@H]2CCCC[C@@H]2C)cc(=O)[n-]1 ZINC000640657971 470988274 /nfs/dbraw/zinc/98/82/74/470988274.db2.gz JVAKISPNHMPBOR-JQWIXIFHSA-N -1 1 325.434 2.116 20 0 EEADMM CSc1nc(CNC(=O)C[C@@H]2OCCc3ccccc32)cc(=O)[n-]1 ZINC000640658496 470989513 /nfs/dbraw/zinc/98/95/13/470989513.db2.gz OGHOOYZGSKJFRX-AWEZNQCLSA-N -1 1 345.424 2.224 20 0 EEADMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)O1 ZINC000657154118 471037688 /nfs/dbraw/zinc/03/76/88/471037688.db2.gz ZFNSXLRGMTVADV-UWVGGRQHSA-N -1 1 338.351 2.336 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C)nc2)c(F)c1 ZINC000644856571 471067245 /nfs/dbraw/zinc/06/72/45/471067245.db2.gz JEACOOMOIWQRGM-UHFFFAOYSA-N -1 1 326.368 2.498 20 0 EEADMM O=C(COC/C=C/c1ccccc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000644883993 471079460 /nfs/dbraw/zinc/07/94/60/471079460.db2.gz LJDXLBHLAKKULV-SBJJXXPASA-N -1 1 343.383 2.211 20 0 EEADMM CN(C)C(=O)c1ccc(=NCC2(c3ccccc3F)CCC2)[n-]n1 ZINC000651362089 471145865 /nfs/dbraw/zinc/14/58/65/471145865.db2.gz OJBWASFCOFVOTK-UHFFFAOYSA-N -1 1 328.391 2.273 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1[nH]nc2c1CCCC2)c1ccc(F)cc1 ZINC000648342983 471173186 /nfs/dbraw/zinc/17/31/86/471173186.db2.gz SKQMLMFYQGPFBN-ZDUSSCGKSA-N -1 1 331.347 2.026 20 0 EEADMM CCn1nnc(C)c1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648355138 471179044 /nfs/dbraw/zinc/17/90/44/471179044.db2.gz SNVNJJYHLQTOLW-UHFFFAOYSA-N -1 1 328.416 2.407 20 0 EEADMM CC(C)N(CCC(=O)[O-])Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000652478655 471297670 /nfs/dbraw/zinc/29/76/70/471297670.db2.gz PFRSHVDLSQNRQQ-UHFFFAOYSA-N -1 1 333.344 2.150 20 0 EEADMM CCCNC(=O)CN(CCC)C(=O)c1ncc2ccccc2c1[O-] ZINC000666856192 471563884 /nfs/dbraw/zinc/56/38/84/471563884.db2.gz WZQWPXKCCKORPR-UHFFFAOYSA-N -1 1 329.400 2.319 20 0 EEADMM COc1cc(C)c(C)cc1[N-]S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656633631 471793128 /nfs/dbraw/zinc/79/31/28/471793128.db2.gz KOYDBWMVTARUCO-CZUORRHYSA-N -1 1 343.445 2.105 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000662892616 472293594 /nfs/dbraw/zinc/29/35/94/472293594.db2.gz FXZCRQVILUYWRO-RQJHMYQMSA-N -1 1 329.282 2.061 20 0 EEADMM O=C(NCCc1cn2c(n1)CCCC2)c1ncc2ccccc2c1[O-] ZINC000666139623 472320789 /nfs/dbraw/zinc/32/07/89/472320789.db2.gz RABFGLZFVQLECC-UHFFFAOYSA-N -1 1 336.395 2.446 20 0 EEADMM O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([O-])c(F)c1 ZINC000681014002 486112474 /nfs/dbraw/zinc/11/24/74/486112474.db2.gz FYIBJLMENUBIRU-UHFFFAOYSA-N -1 1 332.331 2.159 20 0 EEADMM O=C([O-])C1(NCC(=O)Nc2ccc(OC(F)F)cc2)CCCC1 ZINC000676230389 486178850 /nfs/dbraw/zinc/17/88/50/486178850.db2.gz DBDONNFUOZFERR-UHFFFAOYSA-N -1 1 328.315 2.214 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000681762110 486324690 /nfs/dbraw/zinc/32/46/90/486324690.db2.gz MOLLFEZSWXWNGZ-XJKSGUPXSA-N -1 1 338.411 2.084 20 0 EEADMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000676859092 486328362 /nfs/dbraw/zinc/32/83/62/486328362.db2.gz ULYJLAMQJVVPLS-CYBMUJFWSA-N -1 1 337.388 2.049 20 0 EEADMM Cc1ccc(-c2ocnc2C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1 ZINC000183453510 534235530 /nfs/dbraw/zinc/23/55/30/534235530.db2.gz UAPNTYQEWPXVDF-LLVKDONJSA-N -1 1 326.360 2.039 20 0 EEADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180873851 527497607 /nfs/dbraw/zinc/49/76/07/527497607.db2.gz OWMJTAVIOWTGPB-UHFFFAOYSA-N -1 1 332.322 2.255 20 0 EEADMM CCC[C@H](NC(=O)CSc1nccc2ccccc21)c1nn[n-]n1 ZINC000133217151 528177704 /nfs/dbraw/zinc/17/77/04/528177704.db2.gz PIWLPBQYWAMYKK-ZDUSSCGKSA-N -1 1 342.428 2.498 20 0 EEADMM CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451309816 535611967 /nfs/dbraw/zinc/61/19/67/535611967.db2.gz DTBLFJPJDJQLDN-SECBINFHSA-N -1 1 329.349 2.049 20 0 EEADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)C1CC1 ZINC000264190765 535825142 /nfs/dbraw/zinc/82/51/42/535825142.db2.gz OOJOMUGGTPEJHW-WDEREUQCSA-N -1 1 328.434 2.227 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000424824158 536320537 /nfs/dbraw/zinc/32/05/37/536320537.db2.gz 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/nfs/dbraw/zinc/54/03/50/607540350.db2.gz DEAWXFHJRPHWNX-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOC(=O)c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825564707 607540352 /nfs/dbraw/zinc/54/03/52/607540352.db2.gz DEAWXFHJRPHWNX-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM Cc1ccc2c([n-]cc(C(=O)NCc3cccc(C(=O)[O-])c3)c2=O)[nH+]1 ZINC000832962378 602060379 /nfs/dbraw/zinc/06/03/79/602060379.db2.gz WFIJEJAOCWQLME-UHFFFAOYSA-N -1 1 337.335 2.272 20 0 EEADMM O=C([O-])c1nn(CN2CC[C@]3(O)CCCC[C@H]3C2)c2ccccc21 ZINC000833346091 602204014 /nfs/dbraw/zinc/20/40/14/602204014.db2.gz FDRVTFXYNUROHK-SCLBCKFNSA-N -1 1 329.400 2.319 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000826542185 602260002 /nfs/dbraw/zinc/26/00/02/602260002.db2.gz LOEHHZMDYQVUJB-UHFFFAOYSA-N -1 1 343.309 2.024 20 0 EEADMM COCc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826164660 607611789 /nfs/dbraw/zinc/61/17/89/607611789.db2.gz KEWFTRSJSCZGEB-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COCc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826164660 607611792 /nfs/dbraw/zinc/61/17/92/607611792.db2.gz KEWFTRSJSCZGEB-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825058873 607649992 /nfs/dbraw/zinc/64/99/92/607649992.db2.gz AYWALTUIMIKDCN-VHSXEESVSA-N -1 1 341.412 2.109 20 0 EEADMM CC1=CCN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CC1 ZINC000833584663 604617664 /nfs/dbraw/zinc/61/76/64/604617664.db2.gz SUNCUNSBENPIMR-QGZVFWFLSA-N -1 1 341.411 2.373 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000833553639 604674566 /nfs/dbraw/zinc/67/45/66/604674566.db2.gz GMZRGZIWBHOPES-OAHLLOKOSA-N -1 1 329.299 2.313 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000833577313 604828269 /nfs/dbraw/zinc/82/82/69/604828269.db2.gz DHKZXQIVVSTKMU-CYBMUJFWSA-N -1 1 340.420 2.077 20 0 EEADMM CCc1[nH]c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c(C)c1C(=O)[O-] ZINC000833666912 605023570 /nfs/dbraw/zinc/02/35/70/605023570.db2.gz HGBJRHXRHJWSDS-VIFPVBQESA-N -1 1 333.392 2.316 20 0 EEADMM CC(C)CC1(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)CC1 ZINC000833478898 605054270 /nfs/dbraw/zinc/05/42/70/605054270.db2.gz AESFFBFKHRHNIK-AWEZNQCLSA-N -1 1 325.453 2.003 20 0 EEADMM Cc1noc(C)c1CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833757520 605061257 /nfs/dbraw/zinc/06/12/57/605061257.db2.gz DPWWCRGTGTZDNA-UHFFFAOYSA-N -1 1 328.328 2.437 20 0 EEADMM CC(C)Sc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833508129 605076156 /nfs/dbraw/zinc/07/61/56/605076156.db2.gz KBWHVKRVBKGKRO-AWEZNQCLSA-N -1 1 333.413 2.336 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccc(F)c1 ZINC000833514564 605099842 /nfs/dbraw/zinc/09/98/42/605099842.db2.gz ULPIXGMQUCAAMX-KBPBESRZSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1CCC(=O)[O-] ZINC000833621091 605256911 /nfs/dbraw/zinc/25/69/11/605256911.db2.gz JPTWSOJYTIAXFJ-LLVKDONJSA-N -1 1 349.818 2.442 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)n[nH]1 ZINC000833674830 605283134 /nfs/dbraw/zinc/28/31/34/605283134.db2.gz WVFGUQIYCGEFOO-SSDOTTSWSA-N -1 1 336.327 2.479 20 0 EEADMM CC(=O)N1CC[C@@H](CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833392115 605382521 /nfs/dbraw/zinc/38/25/21/605382521.db2.gz ZADCLJFOZGHAFV-XHDPSFHLSA-N -1 1 342.798 2.405 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(Cl)sc2Cl)n1 ZINC000822620507 606155157 /nfs/dbraw/zinc/15/51/57/606155157.db2.gz UHJQBRFOWIZXOV-UHFFFAOYSA-N -1 1 344.187 2.221 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(Cl)sc2Cl)n1 ZINC000822620507 606155159 /nfs/dbraw/zinc/15/51/59/606155159.db2.gz UHJQBRFOWIZXOV-UHFFFAOYSA-N -1 1 344.187 2.221 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000822614964 606166383 /nfs/dbraw/zinc/16/63/83/606166383.db2.gz YFBGIYMOYAUDJV-IJLUTSLNSA-N -1 1 344.423 2.081 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000822614964 606166385 /nfs/dbraw/zinc/16/63/85/606166385.db2.gz YFBGIYMOYAUDJV-IJLUTSLNSA-N -1 1 344.423 2.081 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820706379 606195444 /nfs/dbraw/zinc/19/54/44/606195444.db2.gz ZHUGPQVQKJERMG-YGRLFVJLSA-N -1 1 331.376 2.106 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC[C@H]1O ZINC000820623171 606243142 /nfs/dbraw/zinc/24/31/42/606243142.db2.gz HILRMUANWUDOSK-DYVFJYSZSA-N -1 1 339.403 2.163 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC[C@H]1O ZINC000820623171 606243144 /nfs/dbraw/zinc/24/31/44/606243144.db2.gz HILRMUANWUDOSK-DYVFJYSZSA-N -1 1 339.403 2.163 20 0 EEADMM CN(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821600713 606519747 /nfs/dbraw/zinc/51/97/47/606519747.db2.gz ZWRNOQKESSYRIF-UHFFFAOYSA-N -1 1 342.428 2.185 20 0 EEADMM CN(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821600713 606519749 /nfs/dbraw/zinc/51/97/49/606519749.db2.gz ZWRNOQKESSYRIF-UHFFFAOYSA-N -1 1 342.428 2.185 20 0 EEADMM COc1cccc(C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821864398 606560825 /nfs/dbraw/zinc/56/08/25/606560825.db2.gz YOLAWYGHTZWEDB-SNVBAGLBSA-N -1 1 343.412 2.298 20 0 EEADMM COc1cccc(C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821864398 606560827 /nfs/dbraw/zinc/56/08/27/606560827.db2.gz YOLAWYGHTZWEDB-SNVBAGLBSA-N -1 1 343.412 2.298 20 0 EEADMM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822279632 606573727 /nfs/dbraw/zinc/57/37/27/606573727.db2.gz DEOMYWZBUJJSJD-UHFFFAOYSA-N -1 1 327.369 2.276 20 0 EEADMM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822279632 606573729 /nfs/dbraw/zinc/57/37/29/606573729.db2.gz DEOMYWZBUJJSJD-UHFFFAOYSA-N -1 1 327.369 2.276 20 0 EEADMM O=C(NC[C@H]1OCCc2sccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823183174 606576511 /nfs/dbraw/zinc/57/65/11/606576511.db2.gz SJAABQLSTKYADW-SECBINFHSA-N -1 1 347.425 2.034 20 0 EEADMM O=C(NC[C@H]1OCCc2sccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823183174 606576512 /nfs/dbraw/zinc/57/65/12/606576512.db2.gz SJAABQLSTKYADW-SECBINFHSA-N -1 1 347.425 2.034 20 0 EEADMM COc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)cn1 ZINC000821765962 606619924 /nfs/dbraw/zinc/61/99/24/606619924.db2.gz OLWOPJHCDPIBAC-UHFFFAOYSA-N -1 1 327.329 2.049 20 0 EEADMM COc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)s3)n2)cn1 ZINC000821765962 606619925 /nfs/dbraw/zinc/61/99/25/606619925.db2.gz OLWOPJHCDPIBAC-UHFFFAOYSA-N -1 1 327.329 2.049 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823436435 606650098 /nfs/dbraw/zinc/65/00/98/606650098.db2.gz VKIOYGAZYOMDTB-ZIAGYGMSSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823436435 606650099 /nfs/dbraw/zinc/65/00/99/606650099.db2.gz VKIOYGAZYOMDTB-ZIAGYGMSSA-N -1 1 339.330 2.248 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819891544 606651657 /nfs/dbraw/zinc/65/16/57/606651657.db2.gz ALGPBQRDOSWSEK-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819891544 606651658 /nfs/dbraw/zinc/65/16/58/606651658.db2.gz ALGPBQRDOSWSEK-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nccc2ccccc21 ZINC000823440338 606652379 /nfs/dbraw/zinc/65/23/79/606652379.db2.gz NZYKILOJMZHPJQ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nccc2ccccc21 ZINC000823440338 606652380 /nfs/dbraw/zinc/65/23/80/606652380.db2.gz NZYKILOJMZHPJQ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM Cc1ccc(CNc2nccnc2-c2nnn[n-]2)c(OCC2CC2)c1 ZINC000822238869 606725098 /nfs/dbraw/zinc/72/50/98/606725098.db2.gz YDYWLNVLWHNDMI-UHFFFAOYSA-N -1 1 337.387 2.366 20 0 EEADMM Cc1ccc(CNc2nccnc2-c2nn[n-]n2)c(OCC2CC2)c1 ZINC000822238869 606725099 /nfs/dbraw/zinc/72/50/99/606725099.db2.gz YDYWLNVLWHNDMI-UHFFFAOYSA-N -1 1 337.387 2.366 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820957751 606929540 /nfs/dbraw/zinc/92/95/40/606929540.db2.gz PSWRJYHINRNNMQ-CHWSQXEVSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820957751 606929541 /nfs/dbraw/zinc/92/95/41/606929541.db2.gz PSWRJYHINRNNMQ-CHWSQXEVSA-N -1 1 331.376 2.012 20 0 EEADMM O=C(CCCOc1cccc(F)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958665 607103611 /nfs/dbraw/zinc/10/36/11/607103611.db2.gz ACMXISLQEDLSPK-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM O=C(CCCOc1cccc(F)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958665 607103612 /nfs/dbraw/zinc/10/36/12/607103612.db2.gz ACMXISLQEDLSPK-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc(Cl)nc2)c2ccccc12 ZINC000823656528 607237686 /nfs/dbraw/zinc/23/76/86/607237686.db2.gz FNIGAWJKAXGEEV-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824200701 607819748 /nfs/dbraw/zinc/81/97/48/607819748.db2.gz SHQBEWMHTSZLPZ-MRVPVSSYSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824200701 607819749 /nfs/dbraw/zinc/81/97/49/607819749.db2.gz SHQBEWMHTSZLPZ-MRVPVSSYSA-N -1 1 330.845 2.432 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000826290987 607864578 /nfs/dbraw/zinc/86/45/78/607864578.db2.gz KCLJTKMNUHNINL-UHFFFAOYSA-N -1 1 345.309 2.471 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000826290987 607864579 /nfs/dbraw/zinc/86/45/79/607864579.db2.gz KCLJTKMNUHNINL-UHFFFAOYSA-N -1 1 345.309 2.471 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)nn4)C3)nc2c1 ZINC000826524539 607989488 /nfs/dbraw/zinc/98/94/88/607989488.db2.gz YZCCAONOLUVKQT-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)nn4)C3)nc2c1 ZINC000826524539 607989489 /nfs/dbraw/zinc/98/94/89/607989489.db2.gz YZCCAONOLUVKQT-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(-n2cccn2)c1 ZINC000824657584 607990899 /nfs/dbraw/zinc/99/08/99/607990899.db2.gz RLDCCIIALQGWQC-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(-n2cccn2)c1 ZINC000824657584 607990900 /nfs/dbraw/zinc/99/09/00/607990900.db2.gz RLDCCIIALQGWQC-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824907289 608012502 /nfs/dbraw/zinc/01/25/02/608012502.db2.gz HVBYJLAMVNGDCO-UPJWGTAASA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824907289 608012503 /nfs/dbraw/zinc/01/25/03/608012503.db2.gz HVBYJLAMVNGDCO-UPJWGTAASA-N -1 1 332.408 2.067 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1-c1ccccc1 ZINC000826270678 608271161 /nfs/dbraw/zinc/27/11/61/608271161.db2.gz KKMPQLOZCOJQSL-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1-c1ccccc1 ZINC000826270678 608271163 /nfs/dbraw/zinc/27/11/63/608271163.db2.gz KKMPQLOZCOJQSL-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825733612 608330945 /nfs/dbraw/zinc/33/09/45/608330945.db2.gz FZHRTHBKAYXBPW-VIFPVBQESA-N -1 1 328.401 2.377 20 0 EEADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825733612 608330946 /nfs/dbraw/zinc/33/09/46/608330946.db2.gz FZHRTHBKAYXBPW-VIFPVBQESA-N -1 1 328.401 2.377 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826472332 608333867 /nfs/dbraw/zinc/33/38/67/608333867.db2.gz HFYUCRYPAKBMDL-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826472332 608333868 /nfs/dbraw/zinc/33/38/68/608333868.db2.gz HFYUCRYPAKBMDL-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM C[C@@H]1CC(Nc2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824893827 608444958 /nfs/dbraw/zinc/44/49/58/608444958.db2.gz VHTJERMIJZUWPC-NXEZZACHSA-N -1 1 325.376 2.178 20 0 EEADMM C[C@@H]1CC(Nc2c3ccccc3nnc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824893827 608444959 /nfs/dbraw/zinc/44/49/59/608444959.db2.gz VHTJERMIJZUWPC-NXEZZACHSA-N -1 1 325.376 2.178 20 0 EEADMM CCC(CC)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825097755 608533599 /nfs/dbraw/zinc/53/35/99/608533599.db2.gz YTXKWRWXUVSMCA-UHFFFAOYSA-N -1 1 348.476 2.009 20 0 EEADMM Fc1cccc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1F ZINC000826377645 608702091 /nfs/dbraw/zinc/70/20/91/608702091.db2.gz ZUJWSXVDIAGEEC-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM Fc1cccc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1F ZINC000826377645 608702094 /nfs/dbraw/zinc/70/20/94/608702094.db2.gz ZUJWSXVDIAGEEC-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM CCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825291892 609363604 /nfs/dbraw/zinc/36/36/04/609363604.db2.gz ZNYSZBNJROUDPR-UHFFFAOYSA-N -1 1 344.354 2.113 20 0 EEADMM C[C@@H]1C[C@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824885591 609596196 /nfs/dbraw/zinc/59/61/96/609596196.db2.gz SYXTZHIPPPZYQL-VXGBXAGGSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@@H]1C[C@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824885591 609596199 /nfs/dbraw/zinc/59/61/99/609596199.db2.gz SYXTZHIPPPZYQL-VXGBXAGGSA-N -1 1 339.403 2.427 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC000084675537 675507605 /nfs/dbraw/zinc/50/76/05/675507605.db2.gz ZIJHMLKTXRZFCN-GFCCVEGCSA-N -1 1 335.372 2.221 20 0 EEADMM CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC000890821492 675664803 /nfs/dbraw/zinc/66/48/03/675664803.db2.gz XMXCKWLPCLLJGI-KPZWWZAWSA-N -1 1 347.415 2.307 20 0 EEADMM O=C(CCCc1nn[n-]n1)NCc1ccccc1SC(F)(F)F ZINC000890855399 675685858 /nfs/dbraw/zinc/68/58/58/675685858.db2.gz VARLGPZZWLCXGC-UHFFFAOYSA-N -1 1 345.350 2.451 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)Cc3csc(C)n3)[nH]c21 ZINC000157812494 676498602 /nfs/dbraw/zinc/49/86/02/676498602.db2.gz IWKZUQSQOSNQCA-UHFFFAOYSA-N -1 1 330.369 2.296 20 0 EEADMM O=C(CC1CCC2(CC1)OCCO2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891618256 676726232 /nfs/dbraw/zinc/72/62/32/676726232.db2.gz ODGYAUWDSRUMOT-UHFFFAOYSA-N -1 1 347.415 2.323 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623963 676733438 /nfs/dbraw/zinc/73/34/38/676733438.db2.gz 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20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3)ccc1O ZINC001260400156 1319884738 /nfs/dbraw/zinc/88/47/38/1319884738.db2.gz PEGUPJNWPUSQKX-UHFFFAOYSA-N -1 1 349.364 2.216 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC001260802100 1319979445 /nfs/dbraw/zinc/97/94/45/1319979445.db2.gz VILSGNOEMGLKHT-UHFFFAOYSA-N -1 1 334.397 2.247 20 0 EEADMM [NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=C/C(=O)[O-])cc1 ZINC001161752021 1320611413 /nfs/dbraw/zinc/61/14/13/1320611413.db2.gz NRQBMFHDOZFKSB-JXMROGBWSA-N -1 1 332.381 2.044 20 0 EEADMM CCCC[C@@H](CC)C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001163540075 1321151749 /nfs/dbraw/zinc/15/17/49/1321151749.db2.gz BOBDDFAORHBKKE-CYBMUJFWSA-N -1 1 337.468 2.103 20 0 EEADMM CSc1nc(CNC(=O)Cn2ccc3ccc(F)cc32)cc(=O)[n-]1 ZINC001163578603 1321161656 /nfs/dbraw/zinc/16/16/56/1321161656.db2.gz UJJBFNLUWJZXNC-UHFFFAOYSA-N -1 1 346.387 2.314 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCSCC1 ZINC001263040753 1322426390 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EEADMM CCCCCC[C@](C)([NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001609209129 1351892797 /nfs/dbraw/zinc/89/27/97/1351892797.db2.gz MZVLNRDNCNFTAK-INIZCTEOSA-N -1 1 332.408 2.165 20 0 EEADMM CCN(Cc1ccc(OC)cc1)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609225374 1351901829 /nfs/dbraw/zinc/90/18/29/1351901829.db2.gz HRIDLLNXCJLAMP-UHFFFAOYSA-N -1 1 325.376 2.000 20 0 EEADMM CCN(Cc1ccc(OC)cc1)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609225374 1351901831 /nfs/dbraw/zinc/90/18/31/1351901831.db2.gz HRIDLLNXCJLAMP-UHFFFAOYSA-N -1 1 325.376 2.000 20 0 EEADMM CCOc1ccc(N(CC)C(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609245436 1351907792 /nfs/dbraw/zinc/90/77/92/1351907792.db2.gz PAPIDNBQUZDYSN-UHFFFAOYSA-N -1 1 338.371 2.327 20 0 EEADMM CCOc1ccc(N(CC)C(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609245436 1351907794 /nfs/dbraw/zinc/90/77/94/1351907794.db2.gz PAPIDNBQUZDYSN-UHFFFAOYSA-N -1 1 338.371 2.327 20 0 EEADMM CCn1nc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c2ccccc21 ZINC001609259884 1351913864 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336.399 2.482 20 0 EEADMM COc1ccsc1C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609364941 1351947889 /nfs/dbraw/zinc/94/78/89/1351947889.db2.gz WPLKUEMGHORHIV-SREVYHEPSA-N -1 1 330.373 2.301 20 0 EEADMM Cc1cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c(C)n1C1CC1 ZINC001609395811 1351959669 /nfs/dbraw/zinc/95/96/69/1351959669.db2.gz ITSCFIJTAHRIKB-UHFFFAOYSA-N -1 1 344.400 2.433 20 0 EEADMM Cc1cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c(C)n1C1CC1 ZINC001609395811 1351959672 /nfs/dbraw/zinc/95/96/72/1351959672.db2.gz ITSCFIJTAHRIKB-UHFFFAOYSA-N -1 1 344.400 2.433 20 0 EEADMM Cc1cc(C)n(CCCNc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001609399312 1351960912 /nfs/dbraw/zinc/96/09/12/1351960912.db2.gz PKRLGFBZDYARMS-UHFFFAOYSA-N -1 1 338.828 2.292 20 0 EEADMM Cc1cc(C)n(CCCNc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001609399312 1351960916 /nfs/dbraw/zinc/96/09/16/1351960916.db2.gz PKRLGFBZDYARMS-UHFFFAOYSA-N -1 1 338.828 2.292 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001609431956 1351974506 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Fc1cccc(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1F ZINC001609491534 1351997250 /nfs/dbraw/zinc/99/72/50/1351997250.db2.gz NVBPWEYPBIQDKO-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1ccc(Cl)nc1F ZINC001331934419 1335680987 /nfs/dbraw/zinc/68/09/87/1335680987.db2.gz HZEGEQXFLZIIJI-JTQLQIEISA-N -1 1 336.816 2.094 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609546041 1352011644 /nfs/dbraw/zinc/01/16/44/1352011644.db2.gz YCZWKYGILMYSSF-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609546041 1352011650 /nfs/dbraw/zinc/01/16/50/1352011650.db2.gz YCZWKYGILMYSSF-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCCSCc1ccccc1F)c1ccc(-c2nnn[n-]2)o1 ZINC001609550854 1352013554 /nfs/dbraw/zinc/01/35/54/1352013554.db2.gz PVYLHVBYHZYYRG-UHFFFAOYSA-N -1 1 347.375 2.262 20 0 EEADMM O=C(NCCSCc1ccccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001609550854 1352013557 /nfs/dbraw/zinc/01/35/57/1352013557.db2.gz PVYLHVBYHZYYRG-UHFFFAOYSA-N -1 1 347.375 2.262 20 0 EEADMM CC(C)c1c(C(=O)N(C)c2nn[n-]n2)cnn1-c1ccc(Cl)cc1 ZINC001332604190 1335859989 /nfs/dbraw/zinc/85/99/89/1335859989.db2.gz QJTDKAYZJJJMHH-UHFFFAOYSA-N -1 1 345.794 2.439 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](C2CCCCC2)C1 ZINC001609581782 1352025977 /nfs/dbraw/zinc/02/59/77/1352025977.db2.gz HSCWPWGZYFTJPX-GFCCVEGCSA-N -1 1 347.444 2.350 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](C2CCCCC2)C1 ZINC001609581782 1352025979 /nfs/dbraw/zinc/02/59/79/1352025979.db2.gz HSCWPWGZYFTJPX-GFCCVEGCSA-N -1 1 347.444 2.350 20 0 EEADMM CC(C)N(C(=O)[C@H](C)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C(C)C ZINC001609632046 1352046313 /nfs/dbraw/zinc/04/63/13/1352046313.db2.gz ZOJXDPSYHPZSFO-SMDDNHRTSA-N -1 1 338.370 2.359 20 0 EEADMM C[C@@](CC(=O)[O-])(NCC(=O)NCc1ccco1)c1cccc(F)c1 ZINC001609730269 1352071385 /nfs/dbraw/zinc/07/13/85/1352071385.db2.gz NMZALZJIQSMZSR-KRWDZBQOSA-N -1 1 334.347 2.015 20 0 EEADMM CN(CC(=O)[N-]OCc1ccccc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC001339275699 1336984252 /nfs/dbraw/zinc/98/42/52/1336984252.db2.gz KKQUPVHTZBMWQU-UHFFFAOYSA-N -1 1 330.432 2.387 20 0 EEADMM Cc1cccc(N(C)c2nnc(Cc3nnn[n-]3)n2CC(C)C)c1 ZINC001347502569 1337511395 /nfs/dbraw/zinc/51/13/95/1337511395.db2.gz PGYUVARNHFTLIA-UHFFFAOYSA-N -1 1 326.408 2.114 20 0 EEADMM Cc1cccc(N(C)c2nnc(Cc3nn[n-]n3)n2CC(C)C)c1 ZINC001347502569 1337511396 /nfs/dbraw/zinc/51/13/96/1337511396.db2.gz PGYUVARNHFTLIA-UHFFFAOYSA-N -1 1 326.408 2.114 20 0 EEADMM CO[C@@H](CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)c1ccc(F)cc1 ZINC001347967762 1337528042 /nfs/dbraw/zinc/52/80/42/1337528042.db2.gz YCTSLFUEPRVCIQ-NSHDSACASA-N -1 1 337.376 2.036 20 0 EEADMM CCc1oc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1C(=O)[O-] ZINC001610079066 1352157513 /nfs/dbraw/zinc/15/75/13/1352157513.db2.gz HJSCECKUCXUUNG-CYBMUJFWSA-N -1 1 325.328 2.387 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000847358372 1337977367 /nfs/dbraw/zinc/97/73/67/1337977367.db2.gz MYWHAAJVVFYODU-IRCOFANPSA-N -1 1 335.370 2.416 20 0 EEADMM O=C(NCCc1n[n-]c(=S)o1)c1cccc(C(F)(F)F)c1O ZINC000847751865 1338285810 /nfs/dbraw/zinc/28/58/10/1338285810.db2.gz JSSUZTAHLUCIBY-UHFFFAOYSA-N -1 1 333.291 2.055 20 0 EEADMM COc1ccccc1-c1nnc(CN2CCC[C@@](C)(C(=O)[O-])C2)o1 ZINC001610363048 1352210727 /nfs/dbraw/zinc/21/07/27/1352210727.db2.gz SJHSOBXMEQYKBE-QGZVFWFLSA-N -1 1 331.372 2.432 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001610573370 1352247351 /nfs/dbraw/zinc/24/73/51/1352247351.db2.gz SPMGAIVVMHOGLR-NXEZZACHSA-N -1 1 331.376 2.259 20 0 EEADMM O=C([O-])c1cc2c(cc1NC(=O)c1ccc3cncn3c1)OCO2 ZINC001610705368 1352262389 /nfs/dbraw/zinc/26/23/89/1352262389.db2.gz NTJIKFGQSVIRMN-UHFFFAOYSA-N -1 1 325.280 2.014 20 0 EEADMM CC(C)CCC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428369069 1339481792 /nfs/dbraw/zinc/48/17/92/1339481792.db2.gz NXAUHGGXUWHGKT-AWEZNQCLSA-N -1 1 335.448 2.484 20 0 EEADMM CCN(C(=O)C1CC(C)(C)C1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428646374 1339615230 /nfs/dbraw/zinc/61/52/30/1339615230.db2.gz YALXTUKNSOFHSY-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM O=C([O-])c1ccc(CS(=O)(=O)Nc2nccc3ccncc32)cc1 ZINC001610829873 1352281770 /nfs/dbraw/zinc/28/17/70/1352281770.db2.gz RFEMVKSWKVAYKV-UHFFFAOYSA-N -1 1 343.364 2.270 20 0 EEADMM CC(C)c1[nH]ccc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001429016105 1339768209 /nfs/dbraw/zinc/76/82/09/1339768209.db2.gz WIIWSGNJVCEXLQ-GFCCVEGCSA-N -1 1 344.415 2.177 20 0 EEADMM O=C([O-])c1csc(CN2CCN(CCc3ccccc3)CC2)n1 ZINC001610871139 1352288287 /nfs/dbraw/zinc/28/82/87/1352288287.db2.gz UQNGPCQMYALLHB-UHFFFAOYSA-N -1 1 331.441 2.202 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001430258045 1340165892 /nfs/dbraw/zinc/16/58/92/1340165892.db2.gz CRCJZFIMTBINME-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001432560223 1341328259 /nfs/dbraw/zinc/32/82/59/1341328259.db2.gz UMZIJIVHLGMPBQ-FZKQIMNGSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001432961804 1341446802 /nfs/dbraw/zinc/44/68/02/1341446802.db2.gz IFCABOMPJMQPQK-OLZOCXBDSA-N -1 1 333.432 2.096 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001433548854 1341622958 /nfs/dbraw/zinc/62/29/58/1341622958.db2.gz IFVYSYVEINLPEQ-KBPBESRZSA-N -1 1 341.411 2.134 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CC(C)C ZINC001433694790 1341661535 /nfs/dbraw/zinc/66/15/35/1341661535.db2.gz RVHKEKFGICOXFS-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-]CC2(CC(C)C)CC2)cc1C ZINC001434557719 1341872168 /nfs/dbraw/zinc/87/21/68/1341872168.db2.gz PEOUUUHHDJKWLG-UHFFFAOYSA-N -1 1 329.418 2.479 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS1 ZINC001575992745 1343937704 /nfs/dbraw/zinc/93/77/04/1343937704.db2.gz PNFBDSZGKUEPQS-RKDXNWHRSA-N -1 1 338.462 2.012 20 0 EEADMM CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577202973 1344103673 /nfs/dbraw/zinc/10/36/73/1344103673.db2.gz MIAASOPCSGWDFS-DTWKUNHWSA-N -1 1 337.453 2.127 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001579992399 1344445476 /nfs/dbraw/zinc/44/54/76/1344445476.db2.gz NXEMATMEXOYYTD-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1cccc(F)c1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001580070025 1344463386 /nfs/dbraw/zinc/46/33/86/1344463386.db2.gz SVPJCZPZBGDWPC-UHFFFAOYSA-N -1 1 334.336 2.032 20 0 EEADMM COc1cccc(F)c1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001580070025 1344463390 /nfs/dbraw/zinc/46/33/90/1344463390.db2.gz SVPJCZPZBGDWPC-UHFFFAOYSA-N -1 1 334.336 2.032 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc(Cl)s2)nn1C ZINC001580522358 1344529615 /nfs/dbraw/zinc/52/96/15/1344529615.db2.gz OIAHXBDNZJRBEQ-GQCTYLIASA-N -1 1 349.807 2.275 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc(Cl)s2)nn1C ZINC001580522358 1344529621 /nfs/dbraw/zinc/52/96/21/1344529621.db2.gz OIAHXBDNZJRBEQ-GQCTYLIASA-N -1 1 349.807 2.275 20 0 EEADMM Cc1nc([C@](C)(NCc2ccc(-c3nn[n-]n3)s2)C2CC2)no1 ZINC001581436434 1344625473 /nfs/dbraw/zinc/62/54/73/1344625473.db2.gz CWJISQJSPGLCHO-CQSZACIVSA-N -1 1 331.405 2.035 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)C2=CCCC2)c1-c1nn[n-]n1 ZINC001581714423 1344657649 /nfs/dbraw/zinc/65/76/49/1344657649.db2.gz OQRBZIBIEKQKHF-SECBINFHSA-N -1 1 347.448 2.049 20 0 EEADMM O=C(CSCc1nc(-c2nnn[n-]2)cs1)Nc1ccccc1 ZINC001582132997 1344704589 /nfs/dbraw/zinc/70/45/89/1344704589.db2.gz MCIXRFDPBIZOOC-UHFFFAOYSA-N -1 1 332.414 2.195 20 0 EEADMM O=C(CSCc1nc(-c2nn[n-]n2)cs1)Nc1ccccc1 ZINC001582132997 1344704594 /nfs/dbraw/zinc/70/45/94/1344704594.db2.gz MCIXRFDPBIZOOC-UHFFFAOYSA-N -1 1 332.414 2.195 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001588769987 1348932739 /nfs/dbraw/zinc/93/27/39/1348932739.db2.gz CCTMFLONVUPHSM-VURMDHGXSA-N -1 1 329.751 2.285 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001588769987 1348932741 /nfs/dbraw/zinc/93/27/41/1348932741.db2.gz CCTMFLONVUPHSM-VURMDHGXSA-N -1 1 329.751 2.285 20 0 EEADMM CC(=O)CCc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001588792210 1348937541 /nfs/dbraw/zinc/93/75/41/1348937541.db2.gz ZAGNQDDSNDENEK-UHFFFAOYSA-N -1 1 329.385 2.424 20 0 EEADMM CC(=O)CCc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001588792210 1348937543 /nfs/dbraw/zinc/93/75/43/1348937543.db2.gz ZAGNQDDSNDENEK-UHFFFAOYSA-N -1 1 329.385 2.424 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1F ZINC001589052763 1348955784 /nfs/dbraw/zinc/95/57/84/1348955784.db2.gz PNQJUCKVLLGLEA-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1F ZINC001589052763 1348955785 /nfs/dbraw/zinc/95/57/85/1348955785.db2.gz PNQJUCKVLLGLEA-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C)c1n[nH]cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589238229 1348974197 /nfs/dbraw/zinc/97/41/97/1348974197.db2.gz PFRGRMCCANSDSF-UHFFFAOYSA-N -1 1 327.396 2.100 20 0 EEADMM CC(C)=CCOc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001589379419 1348988385 /nfs/dbraw/zinc/98/83/85/1348988385.db2.gz MFTWZPASUWHJOG-UHFFFAOYSA-N -1 1 339.359 2.187 20 0 EEADMM CC(C)[C@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589437693 1348991134 /nfs/dbraw/zinc/99/11/34/1348991134.db2.gz XBQDQPVXAPIBMB-ZETCQYMHSA-N -1 1 329.282 2.482 20 0 EEADMM CC(C)C[C@@]1(C)CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589565944 1349005234 /nfs/dbraw/zinc/00/52/34/1349005234.db2.gz JPUXZODDQYLCCD-CQSZACIVSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)OC1CCC(NC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001589739674 1349028072 /nfs/dbraw/zinc/02/80/72/1349028072.db2.gz NWEJSKACAFXHSB-UHFFFAOYSA-N -1 1 347.394 2.472 20 0 EEADMM CC(C)OC1CCC(NC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001589739674 1349028077 /nfs/dbraw/zinc/02/80/77/1349028077.db2.gz NWEJSKACAFXHSB-UHFFFAOYSA-N -1 1 347.394 2.472 20 0 EEADMM C[C@@H](CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccncc1 ZINC001589789778 1349043298 /nfs/dbraw/zinc/04/32/98/1349043298.db2.gz AIJAPWVQWFGRBP-LBPRGKRZSA-N -1 1 349.398 2.130 20 0 EEADMM C[C@@H](CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccncc1 ZINC001589789778 1349043301 /nfs/dbraw/zinc/04/33/01/1349043301.db2.gz AIJAPWVQWFGRBP-LBPRGKRZSA-N -1 1 349.398 2.130 20 0 EEADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589795187 1349045590 /nfs/dbraw/zinc/04/55/90/1349045590.db2.gz KXHCRNBEZJBVBF-MRVPVSSYSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589795187 1349045596 /nfs/dbraw/zinc/04/55/96/1349045596.db2.gz KXHCRNBEZJBVBF-MRVPVSSYSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589899125 1349055900 /nfs/dbraw/zinc/05/59/00/1349055900.db2.gz FNCIUPDORILPOW-SNVBAGLBSA-N -1 1 342.790 2.276 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589899125 1349055904 /nfs/dbraw/zinc/05/59/04/1349055904.db2.gz FNCIUPDORILPOW-SNVBAGLBSA-N -1 1 342.790 2.276 20 0 EEADMM C[C@@H](Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F)C(F)(F)F ZINC001589905585 1349059547 /nfs/dbraw/zinc/05/95/47/1349059547.db2.gz XRPWCJYVUQXNSB-YFKPBYRVSA-N -1 1 341.215 2.246 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(Cl)(Cl)Cl ZINC001590014858 1349108371 /nfs/dbraw/zinc/10/83/71/1349108371.db2.gz UIEVZINUZKIMJD-RXMQYKEDSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(Cl)(Cl)Cl ZINC001590014858 1349108377 /nfs/dbraw/zinc/10/83/77/1349108377.db2.gz UIEVZINUZKIMJD-RXMQYKEDSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1 ZINC001589982180 1349092517 /nfs/dbraw/zinc/09/25/17/1349092517.db2.gz SYCBWZCSYPGVAX-XPTSAGLGSA-N -1 1 330.779 2.449 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1 ZINC001589982180 1349092522 /nfs/dbraw/zinc/09/25/22/1349092522.db2.gz SYCBWZCSYPGVAX-XPTSAGLGSA-N -1 1 330.779 2.449 20 0 EEADMM CC(C)n1cc([C@@H](C)OC(=O)c2csc(-c3nnn[n-]3)c2)nn1 ZINC001590016101 1349109857 /nfs/dbraw/zinc/10/98/57/1349109857.db2.gz PLSBJMNVKNEENF-MRVPVSSYSA-N -1 1 333.377 2.019 20 0 EEADMM CC(C)n1cc([C@@H](C)OC(=O)c2csc(-c3nn[n-]n3)c2)nn1 ZINC001590016101 1349109866 /nfs/dbraw/zinc/10/98/66/1349109866.db2.gz PLSBJMNVKNEENF-MRVPVSSYSA-N -1 1 333.377 2.019 20 0 EEADMM C[C@@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590073974 1349138453 /nfs/dbraw/zinc/13/84/53/1349138453.db2.gz OJSLIIPNILJIGZ-GOSISDBHSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590073974 1349138459 /nfs/dbraw/zinc/13/84/59/1349138459.db2.gz OJSLIIPNILJIGZ-GOSISDBHSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590152496 1349176650 /nfs/dbraw/zinc/17/66/50/1349176650.db2.gz AITBDAKTBKTYFO-IBGZPJMESA-N -1 1 348.410 2.342 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590152496 1349176655 /nfs/dbraw/zinc/17/66/55/1349176655.db2.gz AITBDAKTBKTYFO-IBGZPJMESA-N -1 1 348.410 2.342 20 0 EEADMM C[C@]12CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]1C2(Cl)Cl ZINC001590156687 1349179311 /nfs/dbraw/zinc/17/93/11/1349179311.db2.gz OHUSGFXIFALTLF-PWSUYJOCSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@]12CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]1C2(Cl)Cl ZINC001590156687 1349179319 /nfs/dbraw/zinc/17/93/19/1349179319.db2.gz OHUSGFXIFALTLF-PWSUYJOCSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001590236266 1349216340 /nfs/dbraw/zinc/21/63/40/1349216340.db2.gz IJQYGFSZYOHABQ-BBBLOLIVSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001590236266 1349216345 /nfs/dbraw/zinc/21/63/45/1349216345.db2.gz IJQYGFSZYOHABQ-BBBLOLIVSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CCC[C@@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590247331 1349225715 /nfs/dbraw/zinc/22/57/15/1349225715.db2.gz JNWIDGSWGHZGOI-WDSKDSINSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@@H]1CCCC[C@H]1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590252820 1349228072 /nfs/dbraw/zinc/22/80/72/1349228072.db2.gz DJJBAWLPJJLRCC-GHMZBOCLSA-N -1 1 332.433 2.049 20 0 EEADMM C[C@@H]1CCCC[C@H]1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590252820 1349228075 /nfs/dbraw/zinc/22/80/75/1349228075.db2.gz DJJBAWLPJJLRCC-GHMZBOCLSA-N -1 1 332.433 2.049 20 0 EEADMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001590283623 1349246709 /nfs/dbraw/zinc/24/67/09/1349246709.db2.gz VBZJEUWRDXDDTP-ISVAXAHUSA-N -1 1 344.400 2.061 20 0 EEADMM C[C@H]1c2cccn2CCN1C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590336935 1349274067 /nfs/dbraw/zinc/27/40/67/1349274067.db2.gz FSMAKKOAZNLKLO-VIFPVBQESA-N -1 1 344.325 2.163 20 0 EEADMM C[C@H]1c2cccn2CCN1C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590336935 1349274070 /nfs/dbraw/zinc/27/40/70/1349274070.db2.gz FSMAKKOAZNLKLO-VIFPVBQESA-N -1 1 344.325 2.163 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001590436743 1349324557 /nfs/dbraw/zinc/32/45/57/1349324557.db2.gz LGHBRJUSSLDYBL-UHFFFAOYSA-N -1 1 347.404 2.238 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001590436743 1349324562 /nfs/dbraw/zinc/32/45/62/1349324562.db2.gz LGHBRJUSSLDYBL-UHFFFAOYSA-N -1 1 347.404 2.238 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001590445427 1349327126 /nfs/dbraw/zinc/32/71/26/1349327126.db2.gz WYHSRIRIAPBVAV-GFCCVEGCSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001590445427 1349327135 /nfs/dbraw/zinc/32/71/35/1349327135.db2.gz WYHSRIRIAPBVAV-GFCCVEGCSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC001590457559 1349334134 /nfs/dbraw/zinc/33/41/34/1349334134.db2.gz RLKSBMVCTSSFHL-LLVKDONJSA-N -1 1 342.363 2.139 20 0 EEADMM CC[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001590457559 1349334137 /nfs/dbraw/zinc/33/41/37/1349334137.db2.gz RLKSBMVCTSSFHL-LLVKDONJSA-N -1 1 342.363 2.139 20 0 EEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590511982 1349362958 /nfs/dbraw/zinc/36/29/58/1349362958.db2.gz AYMFLSAQBOEBKP-JTQLQIEISA-N -1 1 341.462 2.129 20 0 EEADMM CCC[C@H](OC)C(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001590559699 1349370992 /nfs/dbraw/zinc/37/09/92/1349370992.db2.gz JBFNRSKHVSCIDJ-JTQLQIEISA-N -1 1 338.437 2.190 20 0 EEADMM CCC[C@H](OC)C(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001590559699 1349370996 /nfs/dbraw/zinc/37/09/96/1349370996.db2.gz JBFNRSKHVSCIDJ-JTQLQIEISA-N -1 1 338.437 2.190 20 0 EEADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(C)c1 ZINC001590675761 1349385987 /nfs/dbraw/zinc/38/59/87/1349385987.db2.gz ZMJRLTAHAJZHMH-UHFFFAOYSA-N -1 1 326.335 2.376 20 0 EEADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(C)c1 ZINC001590675761 1349385989 /nfs/dbraw/zinc/38/59/89/1349385989.db2.gz ZMJRLTAHAJZHMH-UHFFFAOYSA-N -1 1 326.335 2.376 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590851235 1349405557 /nfs/dbraw/zinc/40/55/57/1349405557.db2.gz UZKAYQLPJUPDCL-MNOVXSKESA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590851235 1349405563 /nfs/dbraw/zinc/40/55/63/1349405563.db2.gz UZKAYQLPJUPDCL-MNOVXSKESA-N -1 1 332.433 2.008 20 0 EEADMM CCc1nc(Oc2cccc(C=O)c2Cl)cc(-c2nnn[n-]2)n1 ZINC001590925692 1349413609 /nfs/dbraw/zinc/41/36/09/1349413609.db2.gz SQMNFMAJZPJSEF-UHFFFAOYSA-N -1 1 330.735 2.477 20 0 EEADMM CCc1nc(Oc2cccc(C=O)c2Cl)cc(-c2nn[n-]n2)n1 ZINC001590925692 1349413616 /nfs/dbraw/zinc/41/36/16/1349413616.db2.gz SQMNFMAJZPJSEF-UHFFFAOYSA-N -1 1 330.735 2.477 20 0 EEADMM COCCOc1ccc(Nc2ncncc2-c2nn[n-]n2)cc1Cl ZINC001591445766 1349485341 /nfs/dbraw/zinc/48/53/41/1349485341.db2.gz TZJOUFBLMIZGNC-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM COc1cccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1O ZINC001591645889 1349522369 /nfs/dbraw/zinc/52/23/69/1349522369.db2.gz ZKIFIDDLPIPTNY-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM COc1cccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1O ZINC001591645889 1349522372 /nfs/dbraw/zinc/52/23/72/1349522372.db2.gz ZKIFIDDLPIPTNY-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM C[S@](=O)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001591684548 1349527628 /nfs/dbraw/zinc/52/76/28/1349527628.db2.gz ZDLVQMQFNSTGNL-QFIPXVFZSA-N -1 1 333.442 2.419 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(C)cc(F)c2)c1-c1nnn[n-]1 ZINC001591988681 1349579169 /nfs/dbraw/zinc/57/91/69/1349579169.db2.gz HAEPHOBUGDHWDF-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc(C)cc(F)c2)c1-c1nn[n-]n1 ZINC001591988681 1349579173 /nfs/dbraw/zinc/57/91/73/1349579173.db2.gz HAEPHOBUGDHWDF-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1cc(NC[C@H]2CCC[C@@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592044724 1349587465 /nfs/dbraw/zinc/58/74/65/1349587465.db2.gz RIRCOXLGKAAWBG-KOLCDFICSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cc(NC[C@H]2CCC[C@@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592044724 1349587468 /nfs/dbraw/zinc/58/74/68/1349587468.db2.gz RIRCOXLGKAAWBG-KOLCDFICSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592043138 1349587504 /nfs/dbraw/zinc/58/75/04/1349587504.db2.gz BBMASQIJLVKAOU-PSASIEDQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592043138 1349587508 /nfs/dbraw/zinc/58/75/08/1349587508.db2.gz BBMASQIJLVKAOU-PSASIEDQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCSC3(CCCCC3)C2)n1 ZINC001592341511 1349623188 /nfs/dbraw/zinc/62/31/88/1349623188.db2.gz UVWWYQFAJCFYEX-UHFFFAOYSA-N -1 1 331.449 2.221 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCSC3(CCCCC3)C2)n1 ZINC001592341511 1349623189 /nfs/dbraw/zinc/62/31/89/1349623189.db2.gz UVWWYQFAJCFYEX-UHFFFAOYSA-N -1 1 331.449 2.221 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592358411 1349623957 /nfs/dbraw/zinc/62/39/57/1349623957.db2.gz CDLAJBONVZHHEP-UHFFFAOYSA-N -1 1 336.355 2.200 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592358411 1349623961 /nfs/dbraw/zinc/62/39/61/1349623961.db2.gz CDLAJBONVZHHEP-UHFFFAOYSA-N -1 1 336.355 2.200 20 0 EEADMM Cc1nc(N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc(-c2nnn[n-]2)n1 ZINC001592382433 1349625800 /nfs/dbraw/zinc/62/58/00/1349625800.db2.gz DKUYMKOHEWPVDU-SECBINFHSA-N -1 1 347.304 2.482 20 0 EEADMM Cc1nc(N[C@@H]2CCc3cc(F)c(F)c(F)c32)cc(-c2nn[n-]n2)n1 ZINC001592382433 1349625801 /nfs/dbraw/zinc/62/58/01/1349625801.db2.gz DKUYMKOHEWPVDU-SECBINFHSA-N -1 1 347.304 2.482 20 0 EEADMM Cc1nnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)cc2)o1 ZINC001592438388 1349632026 /nfs/dbraw/zinc/63/20/26/1349632026.db2.gz WXYDVTXANUZHGQ-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC001592496504 1349637193 /nfs/dbraw/zinc/63/71/93/1349637193.db2.gz GBZZAEOCJVKMFY-AWEZNQCLSA-N -1 1 345.403 2.045 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC2(CCOCC2)[C@@H]1C(C)C ZINC001592496504 1349637194 /nfs/dbraw/zinc/63/71/94/1349637194.db2.gz GBZZAEOCJVKMFY-AWEZNQCLSA-N -1 1 345.403 2.045 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001592502016 1349638116 /nfs/dbraw/zinc/63/81/16/1349638116.db2.gz KDLOUEWHELUMBX-ZDUSSCGKSA-N -1 1 327.319 2.325 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001592502016 1349638118 /nfs/dbraw/zinc/63/81/18/1349638118.db2.gz KDLOUEWHELUMBX-ZDUSSCGKSA-N -1 1 327.319 2.325 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H]2CCCC2(C)C)c1-c1nnn[n-]1 ZINC001592516653 1349644440 /nfs/dbraw/zinc/64/44/40/1349644440.db2.gz ASDUFOGIDSYLQD-LLVKDONJSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC[C@H]2CCCC2(C)C)c1-c1nn[n-]n1 ZINC001592516653 1349644441 /nfs/dbraw/zinc/64/44/41/1349644441.db2.gz ASDUFOGIDSYLQD-LLVKDONJSA-N -1 1 332.408 2.038 20 0 EEADMM Clc1cc2c(ncnc2NCc2ccc(-c3nn[n-]n3)s2)[nH]1 ZINC001592527358 1349648118 /nfs/dbraw/zinc/64/81/18/1349648118.db2.gz LRIAHJRNSLKHPA-UHFFFAOYSA-N -1 1 332.780 2.465 20 0 EEADMM Clc1ccc(N2CC[C@@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001592531940 1349649065 /nfs/dbraw/zinc/64/90/65/1349649065.db2.gz BOILWCWTTXXZDU-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc(N2CC[C@@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001592531940 1349649067 /nfs/dbraw/zinc/64/90/67/1349649067.db2.gz BOILWCWTTXXZDU-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001592533430 1349650066 /nfs/dbraw/zinc/65/00/66/1349650066.db2.gz LNYQKWNKZZMYNO-QJPTWQEYSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001592533430 1349650067 /nfs/dbraw/zinc/65/00/67/1349650067.db2.gz LNYQKWNKZZMYNO-QJPTWQEYSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc([C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)c1 ZINC001592534382 1349650423 /nfs/dbraw/zinc/65/04/23/1349650423.db2.gz MJXJOLIRGWYHSY-OAHLLOKOSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1cccc([C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)c1 ZINC001592534382 1349650424 /nfs/dbraw/zinc/65/04/24/1349650424.db2.gz MJXJOLIRGWYHSY-OAHLLOKOSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1nc(N2CCC[C@H](c3cc[nH]n3)C2)sc1-c1nnn[n-]1 ZINC001592540633 1349653257 /nfs/dbraw/zinc/65/32/57/1349653257.db2.gz PBLHUQXPIQXQAF-ZETCQYMHSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1nc(N2CCC[C@H](c3cc[nH]n3)C2)sc1-c1nn[n-]n1 ZINC001592540633 1349653259 /nfs/dbraw/zinc/65/32/59/1349653259.db2.gz PBLHUQXPIQXQAF-ZETCQYMHSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1sc(N2CCCC[C@@H]2c2ncc[nH]2)nc1-c1nn[n-]n1 ZINC001592541570 1349654073 /nfs/dbraw/zinc/65/40/73/1349654073.db2.gz FDQJBOZTXVNSDF-SSDOTTSWSA-N -1 1 336.812 2.431 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001592544001 1349654932 /nfs/dbraw/zinc/65/49/32/1349654932.db2.gz UESPWINFJOLRHR-JQWIXIFHSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001592544001 1349654933 /nfs/dbraw/zinc/65/49/33/1349654933.db2.gz UESPWINFJOLRHR-JQWIXIFHSA-N -1 1 340.391 2.024 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001592631069 1349681783 /nfs/dbraw/zinc/68/17/83/1349681783.db2.gz PMQUIQGEJXIGOC-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001592631069 1349681787 /nfs/dbraw/zinc/68/17/87/1349681787.db2.gz PMQUIQGEJXIGOC-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM Fc1cc(F)c(F)c(CNCc2nc(-c3nnn[n-]3)cs2)c1F ZINC001592641670 1349689056 /nfs/dbraw/zinc/68/90/56/1349689056.db2.gz RIIQSLGPIRMAEM-UHFFFAOYSA-N -1 1 344.297 2.169 20 0 EEADMM Fc1cc(F)c(F)c(CNCc2nc(-c3nn[n-]n3)cs2)c1F ZINC001592641670 1349689060 /nfs/dbraw/zinc/68/90/60/1349689060.db2.gz RIIQSLGPIRMAEM-UHFFFAOYSA-N -1 1 344.297 2.169 20 0 EEADMM Fc1cc(Nc2ccnc(-c3nn[n-]n3)n2)ccc1OC1CCCC1 ZINC001592643616 1349690069 /nfs/dbraw/zinc/69/00/69/1349690069.db2.gz XAXHJIZVUMVCPQ-UHFFFAOYSA-N -1 1 341.350 2.283 20 0 EEADMM Fc1ccc(C(F)(F)CNc2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001592646804 1349693243 /nfs/dbraw/zinc/69/32/43/1349693243.db2.gz VFIPWTIWIKZCAQ-UHFFFAOYSA-N -1 1 338.268 2.166 20 0 EEADMM Fc1ccc(C(F)(F)CNc2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC001592646804 1349693248 /nfs/dbraw/zinc/69/32/48/1349693248.db2.gz VFIPWTIWIKZCAQ-UHFFFAOYSA-N -1 1 338.268 2.166 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001592659086 1349702451 /nfs/dbraw/zinc/70/24/51/1349702451.db2.gz QEWPSUACEVNOPA-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001592659086 1349702456 /nfs/dbraw/zinc/70/24/56/1349702456.db2.gz QEWPSUACEVNOPA-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2OC1)c1csc(-c2nn[n-]n2)c1 ZINC001592997121 1349732214 /nfs/dbraw/zinc/73/22/14/1349732214.db2.gz SKAQMKKTTSLJJV-GFCCVEGCSA-N -1 1 341.396 2.052 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnn(C2CCCCC2)c1 ZINC001593245564 1349749304 /nfs/dbraw/zinc/74/93/04/1349749304.db2.gz VFPICJXUJMSWSH-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnn(C2CCCCC2)c1 ZINC001593245564 1349749306 /nfs/dbraw/zinc/74/93/06/1349749306.db2.gz VFPICJXUJMSWSH-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCc2cc(F)ccc21 ZINC001593297552 1349772024 /nfs/dbraw/zinc/77/20/24/1349772024.db2.gz KYCGMEOAFRMECJ-ZDUSSCGKSA-N -1 1 328.303 2.372 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCc2cc(F)ccc21 ZINC001593297552 1349772028 /nfs/dbraw/zinc/77/20/28/1349772028.db2.gz KYCGMEOAFRMECJ-ZDUSSCGKSA-N -1 1 328.303 2.372 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(c2ccccc2F)CC1 ZINC001593298122 1349772233 /nfs/dbraw/zinc/77/22/33/1349772233.db2.gz XBZUKTHWUOHOSG-UHFFFAOYSA-N -1 1 328.303 2.374 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(c2ccccc2F)CC1 ZINC001593298122 1349772236 /nfs/dbraw/zinc/77/22/36/1349772236.db2.gz XBZUKTHWUOHOSG-UHFFFAOYSA-N -1 1 328.303 2.374 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCc2c1cccc2F ZINC001593335623 1349782271 /nfs/dbraw/zinc/78/22/71/1349782271.db2.gz QYAFQLPZLZZHDV-UHFFFAOYSA-N -1 1 344.737 2.257 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CCc1cccc(F)c1)C1CC1 ZINC001593340478 1349784867 /nfs/dbraw/zinc/78/48/67/1349784867.db2.gz NBENUMGVOPBBIF-UHFFFAOYSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CCc1cccc(F)c1)C1CC1 ZINC001593340478 1349784870 /nfs/dbraw/zinc/78/48/70/1349784870.db2.gz NBENUMGVOPBBIF-UHFFFAOYSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCOc2ccccc21 ZINC001593370485 1349791955 /nfs/dbraw/zinc/79/19/55/1349791955.db2.gz DPKNWOUZEMXTKL-UHFFFAOYSA-N -1 1 327.369 2.358 20 0 EEADMM c1c(NC[C@H]2CCOC3(CCC3)C2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543517 1349838974 /nfs/dbraw/zinc/83/89/74/1349838974.db2.gz RRCYZPPOKPXFJB-NSHDSACASA-N -1 1 341.419 2.295 20 0 EEADMM c1c(NC[C@H]2CCOC3(CCC3)C2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543517 1349838978 /nfs/dbraw/zinc/83/89/78/1349838978.db2.gz RRCYZPPOKPXFJB-NSHDSACASA-N -1 1 341.419 2.295 20 0 EEADMM c1ccc(-c2nnn(C[C@H]3CC[C@@H](C4CC4)O3)c2-c2nn[n-]n2)cc1 ZINC001593567991 1349853543 /nfs/dbraw/zinc/85/35/43/1349853543.db2.gz JTQVJIZTSZLVJM-KGLIPLIRSA-N -1 1 337.387 2.083 20 0 EEADMM c1coc(CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H]2CCCO2)c1 ZINC001593588854 1349868064 /nfs/dbraw/zinc/86/80/64/1349868064.db2.gz JLDKQBCWWUCLGY-GFCCVEGCSA-N -1 1 346.416 2.097 20 0 EEADMM c1coc(CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H]2CCCO2)c1 ZINC001593588854 1349868066 /nfs/dbraw/zinc/86/80/66/1349868066.db2.gz JLDKQBCWWUCLGY-GFCCVEGCSA-N -1 1 346.416 2.097 20 0 EEADMM c1sc(CSCc2nc(CC3CC3)no2)nc1-c1nnn[n-]1 ZINC001593595237 1349869531 /nfs/dbraw/zinc/86/95/31/1349869531.db2.gz HAPONAPKPLJFGP-UHFFFAOYSA-N -1 1 335.418 2.092 20 0 EEADMM c1sc(CSCc2nc(CC3CC3)no2)nc1-c1nn[n-]n1 ZINC001593595237 1349869535 /nfs/dbraw/zinc/86/95/35/1349869535.db2.gz HAPONAPKPLJFGP-UHFFFAOYSA-N -1 1 335.418 2.092 20 0 EEADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ncn1 ZINC001600204130 1349992584 /nfs/dbraw/zinc/99/25/84/1349992584.db2.gz DABDRGKCVLGFTJ-CYBMUJFWSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1cc(C)c2cc(C(=O)N3CC[N@H+](C)C[C@H](C(=O)[O-])C3)sc2n1 ZINC001600165995 1349983884 /nfs/dbraw/zinc/98/38/84/1349983884.db2.gz MUZVXIZQLVOPIP-LBPRGKRZSA-N -1 1 347.440 2.002 20 0 EEADMM Cc1cc(C)c2cc(C(=O)N3CCN(C)C[C@H](C(=O)[O-])C3)sc2n1 ZINC001600165995 1349983887 /nfs/dbraw/zinc/98/38/87/1349983887.db2.gz MUZVXIZQLVOPIP-LBPRGKRZSA-N -1 1 347.440 2.002 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)n[nH]1 ZINC001600189508 1349988864 /nfs/dbraw/zinc/98/88/64/1349988864.db2.gz PZUBBKUAFOBENN-NSHDSACASA-N -1 1 330.388 2.488 20 0 EEADMM Cc1[nH]c(CN[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC001600412200 1350043946 /nfs/dbraw/zinc/04/39/46/1350043946.db2.gz COZRUIRFQHZFAU-KRWDZBQOSA-N -1 1 341.411 2.220 20 0 EEADMM Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2cn(CC(=O)[O-])nn2)c1 ZINC001600544233 1350078638 /nfs/dbraw/zinc/07/86/38/1350078638.db2.gz FGQJBAQXSHLPSI-IRXDYDNUSA-N -1 1 344.415 2.151 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H](O)COC(C)C)nc1C(=O)[O-] ZINC001600882084 1350159328 /nfs/dbraw/zinc/15/93/28/1350159328.db2.gz IWFKQKLEOPUJKN-NWDGAFQWSA-N -1 1 328.434 2.073 20 0 EEADMM Cc1sc(NC(=O)CN[C@@H](C[C@H]2CCCO2)C(=O)[O-])c(C)c1C ZINC001600887384 1350161043 /nfs/dbraw/zinc/16/10/43/1350161043.db2.gz LLEGPAVCQSBRIJ-OLZOCXBDSA-N -1 1 340.445 2.224 20 0 EEADMM Cn1cc(Br)c(CN2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001600925982 1350170576 /nfs/dbraw/zinc/17/05/76/1350170576.db2.gz NRUPIJRUQXCBQR-QMTHXVAHSA-N -1 1 342.237 2.259 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)[nH]n1 ZINC001600981611 1350182033 /nfs/dbraw/zinc/18/20/33/1350182033.db2.gz VIVXNZVJIWDEBK-UHFFFAOYSA-N -1 1 331.376 2.174 20 0 EEADMM N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001601175937 1350225948 /nfs/dbraw/zinc/22/59/48/1350225948.db2.gz KLTJBFSQLSGYMX-BBRMVZONSA-N -1 1 343.427 2.141 20 0 EEADMM O=C([O-])[C@H](CNC(=O)CCN1CC[C@H](F)C1)C1CCCCCC1 ZINC001601274617 1350246455 /nfs/dbraw/zinc/24/64/55/1350246455.db2.gz IWMALCAXSAVYTN-LSDHHAIUSA-N -1 1 328.428 2.208 20 0 EEADMM O=C([O-])c1nsc(NC(=O)c2cc(-c3ccc(F)cc3)on2)n1 ZINC001601629265 1350323394 /nfs/dbraw/zinc/32/33/94/1350323394.db2.gz DWCZIOAOTIVOSI-UHFFFAOYSA-N -1 1 334.288 2.283 20 0 EEADMM O=C([O-])[C@H]1CCc2sc(NC(=O)c3cnc4ccc[nH]c3-4)nc2C1 ZINC001601630113 1350323447 /nfs/dbraw/zinc/32/34/47/1350323447.db2.gz ABWLPTKASMFQNT-QMMMGPOBSA-N -1 1 342.380 2.461 20 0 EEADMM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC001601695544 1350340495 /nfs/dbraw/zinc/34/04/95/1350340495.db2.gz MSAZHXOLCAHUMD-NDMJEZRESA-N -1 1 335.297 2.444 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(C[C@@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC001601745071 1350353562 /nfs/dbraw/zinc/35/35/62/1350353562.db2.gz RFYRFIVQWWMXNO-QILLFSRXSA-N -1 1 330.384 2.212 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@@H]1CN(CCO)Cc1cccnc1Cl ZINC001601809331 1350369560 /nfs/dbraw/zinc/36/95/60/1350369560.db2.gz QLLIHDOZPKZZNX-OCCSQVGLSA-N -1 1 326.824 2.420 20 0 EEADMM O=C([O-])CCSc1ncccc1NC(=O)CCCCc1cn[nH]n1 ZINC001602033546 1350422720 /nfs/dbraw/zinc/42/27/20/1350422720.db2.gz CGSWKRIICWWSMC-UHFFFAOYSA-N -1 1 349.416 2.118 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC001602133130 1350446569 /nfs/dbraw/zinc/44/65/69/1350446569.db2.gz UNTQNGTVISMTTE-SFHVURJKSA-N -1 1 338.407 2.318 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C(F)(F)F)oc1Cl ZINC001602295392 1350487111 /nfs/dbraw/zinc/48/71/11/1350487111.db2.gz WXCYAXQFDZMQOL-UJURSFKZSA-N -1 1 347.698 2.108 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C[C@@H](O)c1ccc(F)cn1)CC2 ZINC001602366891 1350505142 /nfs/dbraw/zinc/50/51/42/1350505142.db2.gz LAFNTNKZKGVRJF-MRXNPFEDSA-N -1 1 334.322 2.150 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(C3CCC3)c2)c(F)c1 ZINC001602402009 1350510895 /nfs/dbraw/zinc/51/08/95/1350510895.db2.gz CGOXAHPFGIMHJC-UHFFFAOYSA-N -1 1 339.348 2.246 20 0 EEADMM O=C([O-])c1ccccc1CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC001602466488 1350525685 /nfs/dbraw/zinc/52/56/85/1350525685.db2.gz MERWDXZKPVVZJR-TZMCWYRMSA-N -1 1 331.334 2.420 20 0 EEADMM O=C([O-])c1cnc(CN(CCCO)[C@@H]2CCCc3ccccc32)cn1 ZINC001602517598 1350536475 /nfs/dbraw/zinc/53/64/75/1350536475.db2.gz QVEOIZOZNUPZSU-GOSISDBHSA-N -1 1 341.411 2.437 20 0 EEADMM CC(=O)CCCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001602914262 1350605747 /nfs/dbraw/zinc/60/57/47/1350605747.db2.gz VVMUJBOUWHDFIT-UHFFFAOYSA-N -1 1 325.372 2.331 20 0 EEADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(O)c1 ZINC001603025486 1350622549 /nfs/dbraw/zinc/62/25/49/1350622549.db2.gz SMOUZURITJTITO-VIFPVBQESA-N -1 1 325.328 2.020 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603068387 1350631675 /nfs/dbraw/zinc/63/16/75/1350631675.db2.gz ZXCQPGNNRQNTKD-GXFFZTMASA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603068387 1350631680 /nfs/dbraw/zinc/63/16/80/1350631680.db2.gz ZXCQPGNNRQNTKD-GXFFZTMASA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001603108438 1350641985 /nfs/dbraw/zinc/64/19/85/1350641985.db2.gz NRIABPAREOLKBZ-UHFFFAOYSA-N -1 1 327.348 2.019 20 0 EEADMM CC(C)(C)Oc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001603108438 1350641989 /nfs/dbraw/zinc/64/19/89/1350641989.db2.gz NRIABPAREOLKBZ-UHFFFAOYSA-N -1 1 327.348 2.019 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccccc2F)n1 ZINC001603127953 1350647235 /nfs/dbraw/zinc/64/72/35/1350647235.db2.gz FDTJBPAOWJWAFM-UHFFFAOYSA-N -1 1 343.366 2.139 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccccc2F)n1 ZINC001603127953 1350647236 /nfs/dbraw/zinc/64/72/36/1350647236.db2.gz FDTJBPAOWJWAFM-UHFFFAOYSA-N -1 1 343.366 2.139 20 0 EEADMM CC(C)[C@@H](CNc1cccnc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC001603223681 1350665104 /nfs/dbraw/zinc/66/51/04/1350665104.db2.gz NXTWGDSGKOVUBP-GFCCVEGCSA-N -1 1 347.423 2.223 20 0 EEADMM CC(C)[C@@H](CNc1cccnc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001603223681 1350665107 /nfs/dbraw/zinc/66/51/07/1350665107.db2.gz NXTWGDSGKOVUBP-GFCCVEGCSA-N -1 1 347.423 2.223 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001603501364 1350713730 /nfs/dbraw/zinc/71/37/30/1350713730.db2.gz MAFBVACNHZVPPL-UWVGGRQHSA-N -1 1 337.376 2.195 20 0 EEADMM C[C@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)OCc1ccccc1 ZINC001603569758 1350722071 /nfs/dbraw/zinc/72/20/71/1350722071.db2.gz ZGEFOXQFKKCBHF-GFCCVEGCSA-N -1 1 339.355 2.024 20 0 EEADMM C[C@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)OCc1ccccc1 ZINC001603569758 1350722072 /nfs/dbraw/zinc/72/20/72/1350722072.db2.gz ZGEFOXQFKKCBHF-GFCCVEGCSA-N -1 1 339.355 2.024 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001603734066 1350754379 /nfs/dbraw/zinc/75/43/79/1350754379.db2.gz COYDOTNYRLRDJG-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1cc(Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001603734066 1350754384 /nfs/dbraw/zinc/75/43/84/1350754384.db2.gz COYDOTNYRLRDJG-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@]1(Br)C[C@@H]1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001603735997 1350755641 /nfs/dbraw/zinc/75/56/41/1350755641.db2.gz AZZFKKMIYJMKPR-HQJQHLMTSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@]1(Br)C[C@@H]1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603735997 1350755648 /nfs/dbraw/zinc/75/56/48/1350755648.db2.gz AZZFKKMIYJMKPR-HQJQHLMTSA-N -1 1 343.206 2.259 20 0 EEADMM CC1(C)COc2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc21 ZINC001603792034 1350768592 /nfs/dbraw/zinc/76/85/92/1350768592.db2.gz XTMNVJJBFMOLJU-UHFFFAOYSA-N -1 1 342.384 2.246 20 0 EEADMM CC1(C)COc2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc21 ZINC001603792034 1350768593 /nfs/dbraw/zinc/76/85/93/1350768593.db2.gz XTMNVJJBFMOLJU-UHFFFAOYSA-N -1 1 342.384 2.246 20 0 EEADMM CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001603816402 1350775115 /nfs/dbraw/zinc/77/51/15/1350775115.db2.gz OCIUEGRBPNNFTJ-CYBMUJFWSA-N -1 1 339.363 2.038 20 0 EEADMM CC(C)CN1CCO[C@@H](COC(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001603816402 1350775117 /nfs/dbraw/zinc/77/51/17/1350775117.db2.gz OCIUEGRBPNNFTJ-CYBMUJFWSA-N -1 1 339.363 2.038 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603864469 1350786368 /nfs/dbraw/zinc/78/63/68/1350786368.db2.gz HDXWRTUOYSTKTJ-VPOLOUISSA-N -1 1 329.408 2.049 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603864469 1350786373 /nfs/dbraw/zinc/78/63/73/1350786373.db2.gz HDXWRTUOYSTKTJ-VPOLOUISSA-N -1 1 329.408 2.049 20 0 EEADMM CC(C)[C@H]1CN(C(=O)NCCCCCCCC(=O)[O-])CCN1C ZINC001603983330 1350819182 /nfs/dbraw/zinc/81/91/82/1350819182.db2.gz IQUOZKWDMZIJSS-OAHLLOKOSA-N -1 1 327.469 2.393 20 0 EEADMM CCCN(CC(F)(F)F)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604200328 1350890950 /nfs/dbraw/zinc/89/09/50/1350890950.db2.gz FLTHWECLSMLSEC-UHFFFAOYSA-N -1 1 349.342 2.438 20 0 EEADMM CCCN(CC(F)(F)F)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604200328 1350890952 /nfs/dbraw/zinc/89/09/52/1350890952.db2.gz FLTHWECLSMLSEC-UHFFFAOYSA-N -1 1 349.342 2.438 20 0 EEADMM CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604273472 1350906642 /nfs/dbraw/zinc/90/66/42/1350906642.db2.gz JRYGUCHNOFWQHN-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM CCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604273472 1350906647 /nfs/dbraw/zinc/90/66/47/1350906647.db2.gz JRYGUCHNOFWQHN-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM C[C@H](N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(C(=O)[O-])o1 ZINC001604357886 1350922766 /nfs/dbraw/zinc/92/27/66/1350922766.db2.gz RCMACIURYLQSMK-UWVGGRQHSA-N -1 1 338.385 2.037 20 0 EEADMM CCOC(=O)[C@H](CC)[C@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604364227 1350924448 /nfs/dbraw/zinc/92/44/48/1350924448.db2.gz VTXLOHYIAUSNKO-WCBMZHEXSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@H](CC)[C@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604364227 1350924450 /nfs/dbraw/zinc/92/44/50/1350924450.db2.gz VTXLOHYIAUSNKO-WCBMZHEXSA-N -1 1 338.389 2.063 20 0 EEADMM C[C@](O)(C[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(F)(F)F ZINC001604370363 1350925059 /nfs/dbraw/zinc/92/50/59/1350925059.db2.gz XLYZSDCIUWXKLY-UFBFGSQYSA-N -1 1 338.351 2.334 20 0 EEADMM C[C@](O)(CN1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(F)(F)F ZINC001604370363 1350925063 /nfs/dbraw/zinc/92/50/63/1350925063.db2.gz XLYZSDCIUWXKLY-UFBFGSQYSA-N -1 1 338.351 2.334 20 0 EEADMM CCOC(=O)C1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001604369588 1350925288 /nfs/dbraw/zinc/92/52/88/1350925288.db2.gz DWCAFJJHMQZRNA-UHFFFAOYSA-N -1 1 336.421 2.165 20 0 EEADMM CCO[C@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)C12CCC2 ZINC001604411423 1350932317 /nfs/dbraw/zinc/93/23/17/1350932317.db2.gz CCNSAMVFJIAIED-RYUDHWBXSA-N -1 1 333.417 2.006 20 0 EEADMM C[C@@H](Oc1ccccc1CN1CCC2(CCNC(=O)O2)CC1)C(=O)[O-] ZINC001604442575 1350938514 /nfs/dbraw/zinc/93/85/14/1350938514.db2.gz DSDKFLFIDUPRDF-CYBMUJFWSA-N -1 1 348.399 2.003 20 0 EEADMM C[C@H](Oc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C(=O)[O-] ZINC001604442756 1350938937 /nfs/dbraw/zinc/93/89/37/1350938937.db2.gz GCLZAAURMFMIQS-BBIVEYOYSA-N -1 1 337.441 2.024 20 0 EEADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001604457375 1350941639 /nfs/dbraw/zinc/94/16/39/1350941639.db2.gz RTKWVZIZVOKHTK-UHFFFAOYSA-N -1 1 343.318 2.362 20 0 EEADMM C[C@@H]1CN(C(=O)CCCCc2ccccc2)CCN1CCC(=O)[O-] ZINC001604769940 1350999539 /nfs/dbraw/zinc/99/95/39/1350999539.db2.gz PYLCQUQSEHVBKJ-MRXNPFEDSA-N -1 1 332.444 2.407 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001604787415 1351003452 /nfs/dbraw/zinc/00/34/52/1351003452.db2.gz BKEWTXJBNVFOTE-DZGCQCFKSA-N -1 1 328.428 2.302 20 0 EEADMM C[C@@H]1COCCN1C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001604819272 1351015211 /nfs/dbraw/zinc/01/52/11/1351015211.db2.gz CVTJYFWAMKCGEY-LLVKDONJSA-N -1 1 339.823 2.123 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001604823955 1351015719 /nfs/dbraw/zinc/01/57/19/1351015719.db2.gz PGPYDRSCUIRFIJ-UHFFFAOYSA-N -1 1 332.371 2.288 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001604823955 1351015723 /nfs/dbraw/zinc/01/57/23/1351015723.db2.gz PGPYDRSCUIRFIJ-UHFFFAOYSA-N -1 1 332.371 2.288 20 0 EEADMM CCC(F)(F)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001605064857 1351070197 /nfs/dbraw/zinc/07/01/97/1351070197.db2.gz GSLXZYAXKCDRLT-INIZCTEOSA-N -1 1 340.370 2.267 20 0 EEADMM COCC[C@@H]1CCCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605080312 1351074442 /nfs/dbraw/zinc/07/44/42/1351074442.db2.gz AGWFLDOHZHNFFI-LBPRGKRZSA-N -1 1 347.394 2.285 20 0 EEADMM COCC[C@@H]1CCCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605080312 1351074445 /nfs/dbraw/zinc/07/44/45/1351074445.db2.gz AGWFLDOHZHNFFI-LBPRGKRZSA-N -1 1 347.394 2.285 20 0 EEADMM COCCNc1ccccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001605110796 1351079990 /nfs/dbraw/zinc/07/99/90/1351079990.db2.gz RKGQESAFPYTVCY-UHFFFAOYSA-N -1 1 344.400 2.239 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001605165671 1351092897 /nfs/dbraw/zinc/09/28/97/1351092897.db2.gz DAYNWVLFGJVJRF-RDTXWAMCSA-N -1 1 333.432 2.152 20 0 EEADMM COc1cc(Nc2snc(C)c2-c2nn[n-]n2)ccc1NC(C)=O ZINC001605230972 1351111105 /nfs/dbraw/zinc/11/11/05/1351111105.db2.gz RAIUFMJJJGXHAN-UHFFFAOYSA-N -1 1 345.388 2.342 20 0 EEADMM COc1cccc([C@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605312259 1351133100 /nfs/dbraw/zinc/13/31/00/1351133100.db2.gz BNQSPWRDYOJZDJ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc([C@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605312259 1351133102 /nfs/dbraw/zinc/13/31/02/1351133102.db2.gz BNQSPWRDYOJZDJ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1nc2ccc(NC(=O)c3coc(-c4nnn[n-]4)c3)cc2s1 ZINC001605343865 1351141816 /nfs/dbraw/zinc/14/18/16/1351141816.db2.gz CASOFNVBOBEXKD-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM COc1nc2ccc(NC(=O)c3coc(-c4nn[n-]n4)c3)cc2s1 ZINC001605343865 1351141822 /nfs/dbraw/zinc/14/18/22/1351141822.db2.gz CASOFNVBOBEXKD-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM COc1ncc(NC(=O)C[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605346817 1351142247 /nfs/dbraw/zinc/14/22/47/1351142247.db2.gz DLWFVOBGUVLIMM-QWRGUYRKSA-N -1 1 330.392 2.425 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)NC2CCCCCC2)cc1-c1nn[n-]n1 ZINC001605379975 1351148949 /nfs/dbraw/zinc/14/89/49/1351148949.db2.gz GFMQBXFCHHREPC-UHFFFAOYSA-N -1 1 348.432 2.142 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001605456474 1351161959 /nfs/dbraw/zinc/16/19/59/1351161959.db2.gz FSZNAHRHFLGDGZ-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001605456474 1351161962 /nfs/dbraw/zinc/16/19/62/1351161962.db2.gz FSZNAHRHFLGDGZ-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001605481926 1351167558 /nfs/dbraw/zinc/16/75/58/1351167558.db2.gz NVXHDJVOGKDODD-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc2ccn(C)c2c1 ZINC001605511114 1351175173 /nfs/dbraw/zinc/17/51/73/1351175173.db2.gz XDVIFHYFZYXMHO-UHFFFAOYSA-N -1 1 349.354 2.020 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCOCc2ccc(Cl)cc2)n1 ZINC001605580801 1351193984 /nfs/dbraw/zinc/19/39/84/1351193984.db2.gz OGOJEMWFRPBMGP-UHFFFAOYSA-N -1 1 345.794 2.247 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCOCc2ccc(Cl)cc2)n1 ZINC001605580801 1351193987 /nfs/dbraw/zinc/19/39/87/1351193987.db2.gz OGOJEMWFRPBMGP-UHFFFAOYSA-N -1 1 345.794 2.247 20 0 EEADMM Cc1ccc([C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)o1 ZINC001605827209 1351230485 /nfs/dbraw/zinc/23/04/85/1351230485.db2.gz FIRQAHYMWRDIIG-LURJTMIESA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc([C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001605827209 1351230488 /nfs/dbraw/zinc/23/04/88/1351230488.db2.gz FIRQAHYMWRDIIG-LURJTMIESA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Cc3nccs3)C2)c(-c2nnn[n-]2)n1 ZINC001605864576 1351240496 /nfs/dbraw/zinc/24/04/96/1351240496.db2.gz IPVAKJQWLLIXMT-LBPRGKRZSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Cc3nccs3)C2)c(-c2nn[n-]n2)n1 ZINC001605864576 1351240497 /nfs/dbraw/zinc/24/04/97/1351240497.db2.gz IPVAKJQWLLIXMT-LBPRGKRZSA-N -1 1 341.444 2.486 20 0 EEADMM CN(C)[C@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c1ccsc1 ZINC001606012085 1351263142 /nfs/dbraw/zinc/26/31/42/1351263142.db2.gz KKOSBZVLVOJSCX-GFCCVEGCSA-N -1 1 327.450 2.151 20 0 EEADMM CN(C[C@H]1CN(c2ccccc2)C(=O)O1)[C@H](C(=O)[O-])c1cccnc1 ZINC001606115173 1351273074 /nfs/dbraw/zinc/27/30/74/1351273074.db2.gz BRBOTZZLDRAAKB-HOTGVXAUSA-N -1 1 341.367 2.165 20 0 EEADMM Cc1nnc(Oc2ccc(C=O)c(F)c2F)c(-c2nnn[n-]2)c1C ZINC001606124073 1351275060 /nfs/dbraw/zinc/27/50/60/1351275060.db2.gz OADAETZMELYNEA-UHFFFAOYSA-N -1 1 332.270 2.157 20 0 EEADMM Cc1nnc(Oc2ccc(C=O)c(F)c2F)c(-c2nn[n-]n2)c1C ZINC001606124073 1351275063 /nfs/dbraw/zinc/27/50/63/1351275063.db2.gz OADAETZMELYNEA-UHFFFAOYSA-N -1 1 332.270 2.157 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001606762499 1351352997 /nfs/dbraw/zinc/35/29/97/1351352997.db2.gz UVYSRSZVICFFFP-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001606762499 1351353000 /nfs/dbraw/zinc/35/30/00/1351353000.db2.gz UVYSRSZVICFFFP-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C([O-])CC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001606960781 1351385136 /nfs/dbraw/zinc/38/51/36/1351385136.db2.gz MHANVDXEXJDCDR-NWDGAFQWSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(OC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967858 1351387265 /nfs/dbraw/zinc/38/72/65/1351387265.db2.gz QXGPIFXMEOWARN-IUODEOHRSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc2c1CCCC2 ZINC001606981791 1351391579 /nfs/dbraw/zinc/39/15/79/1351391579.db2.gz FOPLQPXKDZYILR-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc2c1CCCC2 ZINC001606981791 1351391583 /nfs/dbraw/zinc/39/15/83/1351391583.db2.gz FOPLQPXKDZYILR-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606989186 1351393496 /nfs/dbraw/zinc/39/34/96/1351393496.db2.gz MKLJYUAMJUCHLK-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001607016911 1351398157 /nfs/dbraw/zinc/39/81/57/1351398157.db2.gz HEJNEXZKGIYOAS-CYBMUJFWSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001607016911 1351398160 /nfs/dbraw/zinc/39/81/60/1351398160.db2.gz HEJNEXZKGIYOAS-CYBMUJFWSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCCO[C@H](c2ccccc2)C1 ZINC001607016978 1351398268 /nfs/dbraw/zinc/39/82/68/1351398268.db2.gz JXWQDPFYSLOKIV-HNNXBMFYSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCCO[C@H](c2ccccc2)C1 ZINC001607016978 1351398269 /nfs/dbraw/zinc/39/82/69/1351398269.db2.gz JXWQDPFYSLOKIV-HNNXBMFYSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@]12CCCOC2 ZINC001607031539 1351401098 /nfs/dbraw/zinc/40/10/98/1351401098.db2.gz GCERIKRWNJJUJC-OAHLLOKOSA-N -1 1 333.417 2.104 20 0 EEADMM O=C1CCCc2c(cccc2OCc2ccc(-c3nnn[n-]3)o2)N1 ZINC001607043419 1351403188 /nfs/dbraw/zinc/40/31/88/1351403188.db2.gz OWAKSWQFUYRUSS-UHFFFAOYSA-N -1 1 325.328 2.314 20 0 EEADMM O=C1CCCc2c(cccc2OCc2ccc(-c3nn[n-]n3)o2)N1 ZINC001607043419 1351403189 /nfs/dbraw/zinc/40/31/89/1351403189.db2.gz OWAKSWQFUYRUSS-UHFFFAOYSA-N -1 1 325.328 2.314 20 0 EEADMM O=S(=O)(C=Cc1ccccc1F)[N-]c1ccccc1-c1nn[nH]n1 ZINC001607058192 1351405122 /nfs/dbraw/zinc/40/51/22/1351405122.db2.gz UBIYUVLVFQKHFV-KTKRTIGZSA-N -1 1 345.359 2.418 20 0 EEADMM Cc1[nH]c(CNCc2ccnc(OC3CCOCC3)c2)cc1C(=O)[O-] ZINC001607498267 1351505974 /nfs/dbraw/zinc/50/59/74/1351505974.db2.gz SCITXCKQEUWQML-UHFFFAOYSA-N -1 1 345.399 2.264 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN[C@@H](CO)c1ccccc1C ZINC001607740624 1351549938 /nfs/dbraw/zinc/54/99/38/1351549938.db2.gz ZZAJNIZRHCRABA-KRWDZBQOSA-N -1 1 342.395 2.263 20 0 EEADMM Cc1ccc(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001607779566 1351556810 /nfs/dbraw/zinc/55/68/10/1351556810.db2.gz JATXKGUFZUOCCF-HNNXBMFYSA-N -1 1 344.333 2.336 20 0 EEADMM Cc1ccc(CN2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001607779566 1351556814 /nfs/dbraw/zinc/55/68/14/1351556814.db2.gz JATXKGUFZUOCCF-HNNXBMFYSA-N -1 1 344.333 2.336 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c(=O)c2c1 ZINC001607833382 1351567488 /nfs/dbraw/zinc/56/74/88/1351567488.db2.gz FDPQLZAMSLBESO-AWEZNQCLSA-N -1 1 330.384 2.456 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001608007445 1351603806 /nfs/dbraw/zinc/60/38/06/1351603806.db2.gz ICEFMHPNFZVZKX-TVQRCGJNSA-N -1 1 345.403 2.002 20 0 EEADMM Cc1sc(NC(=O)CN(C)[C@@H](CO)C(C)(C)C)c(C(=O)[O-])c1C ZINC001608071449 1351619208 /nfs/dbraw/zinc/61/92/08/1351619208.db2.gz YRABOVCWWYOFKZ-NSHDSACASA-N -1 1 342.461 2.340 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)Cc1n[nH]c2c1CCCC2 ZINC001608372021 1351681185 /nfs/dbraw/zinc/68/11/85/1351681185.db2.gz DJFHQGXVNDSVKZ-INIZCTEOSA-N -1 1 346.358 2.209 20 0 EEADMM O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1cccc([O-])c1F ZINC001627197083 1352486812 /nfs/dbraw/zinc/48/68/12/1352486812.db2.gz IFUFOLKWDHNDRJ-GFCCVEGCSA-N -1 1 343.314 2.045 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](CO)C1CCCCC1 ZINC001647114378 1353148950 /nfs/dbraw/zinc/14/89/50/1353148950.db2.gz HBJJXIDEYCVAQP-ZDUSSCGKSA-N -1 1 349.399 2.193 20 0 EEADMM COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])Cc1ccncc1 ZINC001647125385 1353153570 /nfs/dbraw/zinc/15/35/70/1353153570.db2.gz UHBARMQTPIIAPI-GFCCVEGCSA-N -1 1 348.786 2.202 20 0 EEADMM CCCc1nnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1CC ZINC001650300320 1353833086 /nfs/dbraw/zinc/83/30/86/1353833086.db2.gz ZFEUBJGOSMGQNR-GHMZBOCLSA-N -1 1 347.385 2.286 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2NC(=O)CO3)c(C)c1 ZINC000074787419 1354367647 /nfs/dbraw/zinc/36/76/47/1354367647.db2.gz KKVPTKBMWLNEKO-UHFFFAOYSA-N -1 1 348.380 2.135 20 0 EEADMM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1cc2cc(F)ccc2o1 ZINC001663495589 1354971814 /nfs/dbraw/zinc/97/18/14/1354971814.db2.gz KBQOABLRDBZQED-OAHLLOKOSA-N -1 1 349.383 2.454 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H](C)CC(C)C ZINC001388240001 1387275790 /nfs/dbraw/zinc/27/57/90/1387275790.db2.gz OHNOYGIVHSTDQG-CQSZACIVSA-N -1 1 335.448 2.438 20 0 EEADMM CCCC[C@](C)(F)C(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001388239271 1387276115 /nfs/dbraw/zinc/27/61/15/1387276115.db2.gz CVIPZDCSIOHLMQ-KRWDZBQOSA-N -1 1 339.411 2.284 20 0 EEADMM O=C(NCc1cnc(Cl)cn1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001679610537 1357729184 /nfs/dbraw/zinc/72/91/84/1357729184.db2.gz QTKZPWJTTNRBCQ-UHFFFAOYSA-N -1 1 344.762 2.343 20 0 EEADMM O=S(=O)([N-]CCN1CC=CC1)c1cc(Cl)sc1Cl ZINC000104235075 1358348408 /nfs/dbraw/zinc/34/84/08/1358348408.db2.gz XFSYSYZYNJGATM-UHFFFAOYSA-N -1 1 327.258 2.205 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC000107371849 1358447304 /nfs/dbraw/zinc/44/73/04/1358447304.db2.gz OZGANYVNPNRURL-UHFFFAOYSA-N -1 1 335.381 2.424 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(CF)cc1)CNC(=O)c1ncccc1[O-] ZINC001388433428 1387459267 /nfs/dbraw/zinc/45/92/67/1387459267.db2.gz NHTDLZCEGVWVFP-LBPRGKRZSA-N -1 1 345.374 2.053 20 0 EEADMM Cc1ccc(CNC(=O)N2CCC([N-]C(=O)C(F)(F)F)CC2)cc1 ZINC001185392769 1368152435 /nfs/dbraw/zinc/15/24/35/1368152435.db2.gz BPVNXPAYYNLSBU-UHFFFAOYSA-N -1 1 343.349 2.348 20 0 EEADMM Cc1oncc1S(=O)(=O)[N-]c1cc(Br)cnc1F ZINC001187327441 1368237366 /nfs/dbraw/zinc/23/73/66/1368237366.db2.gz ALLMGXKXHZMRMM-UHFFFAOYSA-N -1 1 336.142 2.080 20 0 EEADMM CCOc1ncc(Br)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188930710 1368331134 /nfs/dbraw/zinc/33/11/34/1368331134.db2.gz PKYHCDTWQINWRY-UHFFFAOYSA-N -1 1 335.223 2.395 20 0 EEADMM O=C(Nc1ncccc1CN1CCOCC1)c1cc([O-])cc(F)c1F ZINC001192661201 1368422341 /nfs/dbraw/zinc/42/23/41/1368422341.db2.gz MRQDNYHJFZBDOA-UHFFFAOYSA-N -1 1 349.337 2.150 20 0 EEADMM O=S(=O)([N-]c1ccc2nnsc2c1)c1ccc2nccnc2c1 ZINC001198153547 1368624720 /nfs/dbraw/zinc/62/47/20/1368624720.db2.gz PADNTANENKKBHM-UHFFFAOYSA-N -1 1 343.393 2.435 20 0 EEADMM COc1ccc(NC(=S)Nc2ccc(C(N)=O)c([O-])c2)cc1OC ZINC001201067753 1368775589 /nfs/dbraw/zinc/77/55/89/1368775589.db2.gz PYMZCXQFOPPENY-UHFFFAOYSA-N -1 1 347.396 2.317 20 0 EEADMM COC(=O)CCCS(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001201912701 1368861521 /nfs/dbraw/zinc/86/15/21/1368861521.db2.gz KXEKHAIVNWTLIR-UHFFFAOYSA-N -1 1 342.200 2.394 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C(F)F)c1 ZINC001389245447 1387990260 /nfs/dbraw/zinc/99/02/60/1387990260.db2.gz PJVUEOABYKOPNA-SNVBAGLBSA-N -1 1 349.337 2.273 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCc1cccs1 ZINC001389510135 1388162676 /nfs/dbraw/zinc/16/26/76/1388162676.db2.gz DNTQGRLXMGBFTK-LBPRGKRZSA-N -1 1 347.440 2.106 20 0 EEADMM CNc1ccccc1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830833977 1372351815 /nfs/dbraw/zinc/35/18/15/1372351815.db2.gz VCUDENKOHHDYLS-AWEZNQCLSA-N -1 1 329.322 2.011 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000837851535 1372809356 /nfs/dbraw/zinc/80/93/56/1372809356.db2.gz WADDEJDSXXLYRO-WFASDCNBSA-N -1 1 333.384 2.321 20 0 EEADMM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001362161331 1373373931 /nfs/dbraw/zinc/37/39/31/1373373931.db2.gz RSCBDESGUPKVLP-HNNXBMFYSA-N -1 1 330.771 2.271 20 0 EEADMM CCC(CC)(NC(=O)[C@@H]1SCCc2ccccc21)c1nn[n-]n1 ZINC001362789652 1373464409 /nfs/dbraw/zinc/46/44/09/1373464409.db2.gz ZIJXBOUQWIAOBF-CYBMUJFWSA-N -1 1 331.445 2.362 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ncnn1C(C)(C)C ZINC001363265005 1373499541 /nfs/dbraw/zinc/49/95/41/1373499541.db2.gz WJJXOBGGJDUOCI-QWRGUYRKSA-N -1 1 347.385 2.065 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N(C)CCOc2ccccc2)c1 ZINC001363928782 1373557633 /nfs/dbraw/zinc/55/76/33/1373557633.db2.gz JUAWYMHWZXFNFQ-UHFFFAOYSA-N -1 1 337.397 2.100 20 0 EEADMM Cc1cnc(OC(C)C)c(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC001365902622 1373771883 /nfs/dbraw/zinc/77/18/83/1373771883.db2.gz OFCBDEVJVQTBHU-UHFFFAOYSA-N -1 1 345.407 2.102 20 0 EEADMM C[C@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-])c1cccs1 ZINC001369819344 1374664931 /nfs/dbraw/zinc/66/49/31/1374664931.db2.gz BMAWOSBMUGIOGB-RYUDHWBXSA-N -1 1 347.440 2.229 20 0 EEADMM CCCC[C@@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371665202 1375563852 /nfs/dbraw/zinc/56/38/52/1375563852.db2.gz JJPHVFWWUJUSQT-MCIONIFRSA-N -1 1 333.432 2.238 20 0 EEADMM CC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)CCCCC1 ZINC001372422484 1375994167 /nfs/dbraw/zinc/99/41/67/1375994167.db2.gz IJPRNMQBCQMPFC-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM CCCN(CCNC(=O)[C@@H](C)C(C)(C)C)C(=O)c1ncccc1[O-] ZINC001374138353 1376593292 /nfs/dbraw/zinc/59/32/92/1376593292.db2.gz COXWBZSVZAFTRB-CYBMUJFWSA-N -1 1 335.448 2.438 20 0 EEADMM CC1(CCC(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)CC1 ZINC001374308144 1376662443 /nfs/dbraw/zinc/66/24/43/1376662443.db2.gz POXFFXKINRIAIU-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CCCc1nc(CNC[C@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001374882139 1377146443 /nfs/dbraw/zinc/14/64/43/1377146443.db2.gz CSDRXMKNAPUUGY-NSHDSACASA-N -1 1 334.445 2.104 20 0 EEADMM C[C@H](CNC(=O)CCC1CCCCC1)NC(=O)c1ncccc1[O-] ZINC001376871822 1378816885 /nfs/dbraw/zinc/81/68/85/1378816885.db2.gz IQCBDXPPLFJMOC-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1scc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001376992753 1378900553 /nfs/dbraw/zinc/90/05/53/1378900553.db2.gz HTYXUAROMFPVQE-SECBINFHSA-N -1 1 333.413 2.014 20 0 EEADMM C[C@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)CCC1(C)CC1 ZINC001378435071 1379957767 /nfs/dbraw/zinc/95/77/67/1379957767.db2.gz SORXXQIVAKOZQS-SCLBCKFNSA-N -1 1 349.479 2.245 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cc1C ZINC001382543996 1382130736 /nfs/dbraw/zinc/13/07/36/1382130736.db2.gz UHZIRXQVBHYQLW-AWEZNQCLSA-N -1 1 345.447 2.061 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001383226000 1382403497 /nfs/dbraw/zinc/40/34/97/1382403497.db2.gz JZEBRZNDXWTKPD-TZMCWYRMSA-N -1 1 335.448 2.484 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001383590101 1382581431 /nfs/dbraw/zinc/58/14/31/1382581431.db2.gz AHMYUJQWHBVANY-OCCSQVGLSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@](CNC(=O)c1ncccc1[O-])(NC(=O)CCC1(C)CC1)C1CC1 ZINC001390860249 1388827802 /nfs/dbraw/zinc/82/78/02/1388827802.db2.gz DKMUGBSVKFKWFR-LJQANCHMSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC1(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)CCC1 ZINC001385077137 1385362002 /nfs/dbraw/zinc/36/20/02/1385362002.db2.gz QNEJQUUSTNZJJQ-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM CC(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386453937 1386144820 /nfs/dbraw/zinc/14/48/20/1386144820.db2.gz MEPLUTNDMZKECV-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@H](C(=O)N(CC)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001387179259 1386554071 /nfs/dbraw/zinc/55/40/71/1386554071.db2.gz ITTFCWZJMRIDDX-AWEZNQCLSA-N -1 1 335.448 2.438 20 0 EEADMM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2ncccc2[O-])CCCC1 ZINC001391065637 1389009674 /nfs/dbraw/zinc/00/96/74/1389009674.db2.gz KJOWULBEHFOZDD-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392775031 1390191929 /nfs/dbraw/zinc/19/19/29/1390191929.db2.gz UDWCCCDIGGVCPB-NSHDSACASA-N -1 1 345.399 2.360 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001393836950 1390557790 /nfs/dbraw/zinc/55/77/90/1390557790.db2.gz RFUOIVDXGVDLSO-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001417024295 1390912770 /nfs/dbraw/zinc/91/27/70/1390912770.db2.gz USXBHXNNIIMZBM-FZKQIMNGSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CNC(=O)CCCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001397480739 1391255726 /nfs/dbraw/zinc/25/57/26/1391255726.db2.gz RGZQCMKWSXHEMC-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@@H](CCC(C)(C)C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001397986401 1391600214 /nfs/dbraw/zinc/60/02/14/1391600214.db2.gz RSEAJAXDQKCVCR-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(C2CCC2)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001400804755 1396597998 /nfs/dbraw/zinc/59/79/98/1396597998.db2.gz QZBCWOJSWVWLNR-OAHLLOKOSA-N -1 1 343.431 2.076 20 0 EEADMM CCCC[C@H](C)C(=O)NCCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001401074741 1396909588 /nfs/dbraw/zinc/90/95/88/1396909588.db2.gz MEJZSNPULQBJOK-ZDUSSCGKSA-N -1 1 337.468 2.055 20 0 EEADMM C[C@@H](CNC(=O)C1CCC2(CC2)CC1)N(C)C(=O)c1ncccc1[O-] ZINC001424218823 1400976345 /nfs/dbraw/zinc/97/63/45/1400976345.db2.gz JFZVLMKFQXPJMB-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccoc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428362660 1402691161 /nfs/dbraw/zinc/69/11/61/1402691161.db2.gz STGWACORLQNCSF-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428760077 1402799463 /nfs/dbraw/zinc/79/94/63/1402799463.db2.gz ISDGJNOBKYAKIH-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CC(C)(C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434142107 1403457900 /nfs/dbraw/zinc/45/79/00/1403457900.db2.gz SJXUGCSBONDYTA-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1cc2ccccc2s1 ZINC001569591913 1403507870 /nfs/dbraw/zinc/50/78/70/1403507870.db2.gz BLIACSYTQCAKDS-UHFFFAOYSA-N -1 1 331.353 2.041 20 0 EEADMM CC[C@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@H]1CC1(C)C ZINC001576972824 1403616636 /nfs/dbraw/zinc/61/66/36/1403616636.db2.gz BUMYTFPIDPUKNS-NEPJUHHUSA-N -1 1 345.407 2.217 20 0 EEADMM CCCCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577409214 1403646829 /nfs/dbraw/zinc/64/68/29/1403646829.db2.gz XQICKEBHNYYUHA-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CCOc1cccc(CNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001578399988 1403747344 /nfs/dbraw/zinc/74/73/44/1403747344.db2.gz BSUDKPTVXIFAJR-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CCOc1cccc(CNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001578399988 1403747351 /nfs/dbraw/zinc/74/73/51/1403747351.db2.gz BSUDKPTVXIFAJR-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM COC(=O)c1ccc(NCc2cc(C)cs2)c(-c2nnn[n-]2)n1 ZINC001579485255 1403784954 /nfs/dbraw/zinc/78/49/54/1403784954.db2.gz RWDBHYAXOPJGEE-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COC(=O)c1ccc(NCc2cc(C)cs2)c(-c2nn[n-]n2)n1 ZINC001579485255 1403784960 /nfs/dbraw/zinc/78/49/60/1403784960.db2.gz RWDBHYAXOPJGEE-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1ncc(NC(=O)C(C)(C)C2CCCC2)cc1-c1nn[n-]n1 ZINC001580130773 1403833735 /nfs/dbraw/zinc/83/37/35/1403833735.db2.gz WUOWPHSUCSYGEN-UHFFFAOYSA-N -1 1 330.392 2.425 20 0 EEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CC[C@@H](C)C1 ZINC001591420225 1403910438 /nfs/dbraw/zinc/91/04/38/1403910438.db2.gz QCYJMLHBIYGEFX-MNOVXSKESA-N -1 1 335.433 2.205 20 0 EEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CC[C@@H](C)C1 ZINC001591420225 1403910442 /nfs/dbraw/zinc/91/04/42/1403910442.db2.gz QCYJMLHBIYGEFX-MNOVXSKESA-N -1 1 335.433 2.205 20 0 EEADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591464071 1403914863 /nfs/dbraw/zinc/91/48/63/1403914863.db2.gz AWAWDUNOFXCPQJ-VXGBXAGGSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591464071 1403914870 /nfs/dbraw/zinc/91/48/70/1403914870.db2.gz AWAWDUNOFXCPQJ-VXGBXAGGSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591464070 1403916746 /nfs/dbraw/zinc/91/67/46/1403916746.db2.gz AWAWDUNOFXCPQJ-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591464070 1403916751 /nfs/dbraw/zinc/91/67/51/1403916751.db2.gz AWAWDUNOFXCPQJ-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2cc(C)ccc2C)c1-c1nnn[n-]1 ZINC001592140710 1404005870 /nfs/dbraw/zinc/00/58/70/1404005870.db2.gz SCLKSWBRZNVFPX-LLVKDONJSA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC001592140710 1404005887 /nfs/dbraw/zinc/00/58/87/1404005887.db2.gz SCLKSWBRZNVFPX-LLVKDONJSA-N -1 1 340.387 2.200 20 0 EEADMM Cc1cccc2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001592245048 1404014468 /nfs/dbraw/zinc/01/44/68/1404014468.db2.gz XXTTVTZKUXJHJA-UHFFFAOYSA-N -1 1 333.399 2.405 20 0 EEADMM Cc1cccc2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001592245048 1404014476 /nfs/dbraw/zinc/01/44/76/1404014476.db2.gz XXTTVTZKUXJHJA-UHFFFAOYSA-N -1 1 333.399 2.405 20 0 EEADMM Cc1nsc(NCCCC[C@H](C)NC(=O)C2CC2)c1-c1nn[n-]n1 ZINC001592490169 1404701241 /nfs/dbraw/zinc/70/12/41/1404701241.db2.gz OYBROQHKGYRYFB-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC001592499404 1404703045 /nfs/dbraw/zinc/70/30/45/1404703045.db2.gz MEQUEJMGSCBCDF-UHFFFAOYSA-N -1 1 337.330 2.466 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC2(CC2(F)F)CC1 ZINC001592499404 1404703050 /nfs/dbraw/zinc/70/30/50/1404703050.db2.gz MEQUEJMGSCBCDF-UHFFFAOYSA-N -1 1 337.330 2.466 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001592499696 1404704205 /nfs/dbraw/zinc/70/42/05/1404704205.db2.gz QBPXWZHLQMZAJN-ZDUSSCGKSA-N -1 1 333.392 2.045 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](C(C)(C)C)CC1 ZINC001592499696 1404704209 /nfs/dbraw/zinc/70/42/09/1404704209.db2.gz QBPXWZHLQMZAJN-ZDUSSCGKSA-N -1 1 333.392 2.045 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC001592500239 1404704968 /nfs/dbraw/zinc/70/49/68/1404704968.db2.gz VUXHQRJYQXLAMJ-SNVBAGLBSA-N -1 1 341.371 2.225 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC001592500239 1404704973 /nfs/dbraw/zinc/70/49/73/1404704973.db2.gz VUXHQRJYQXLAMJ-SNVBAGLBSA-N -1 1 341.371 2.225 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCC1=CCCCCC1 ZINC001592913785 1404729736 /nfs/dbraw/zinc/72/97/36/1404729736.db2.gz HSUGHJYEUSFZAU-UHFFFAOYSA-N -1 1 326.404 2.201 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCC1=CCCCCC1 ZINC001592913785 1404729740 /nfs/dbraw/zinc/72/97/40/1404729740.db2.gz HSUGHJYEUSFZAU-UHFFFAOYSA-N -1 1 326.404 2.201 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593030854 1404735426 /nfs/dbraw/zinc/73/54/26/1404735426.db2.gz YCAHBWWYUAIDLM-UHFFFAOYSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC1CCC(F)(F)CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593030854 1404735453 /nfs/dbraw/zinc/73/54/53/1404735453.db2.gz YCAHBWWYUAIDLM-UHFFFAOYSA-N -1 1 337.334 2.209 20 0 EEADMM Cc1nsc(Nc2cnn(C3CCOCC3)c2C)c1-c1nn[n-]n1 ZINC001606163535 1404770813 /nfs/dbraw/zinc/77/08/13/1404770813.db2.gz IJFDXYFFKHKDBR-UHFFFAOYSA-N -1 1 346.420 2.232 20 0 EEADMM FC1(F)CC12CC(Nc1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC001606301130 1404781293 /nfs/dbraw/zinc/78/12/93/1404781293.db2.gz NXYDTWIZJXCLFV-UHFFFAOYSA-N -1 1 329.314 2.410 20 0 EEADMM FC1(F)CC12CC(Nc1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC001606301130 1404781298 /nfs/dbraw/zinc/78/12/98/1404781298.db2.gz NXYDTWIZJXCLFV-UHFFFAOYSA-N -1 1 329.314 2.410 20 0 EEADMM C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)c1ncc[n-]1 ZINC001665028944 1404896128 /nfs/dbraw/zinc/89/61/28/1404896128.db2.gz OLLHPZWXQRQYOA-QMMMGPOBSA-N -1 1 339.808 2.321 20 0 EEADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C=C1CCCCC1 ZINC001755821905 1407872820 /nfs/dbraw/zinc/87/28/20/1407872820.db2.gz QETZHELUXFCZCH-CYBMUJFWSA-N -1 1 335.452 2.021 20 0 EEADMM C/C(=C/C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001756228858 1408237576 /nfs/dbraw/zinc/23/75/76/1408237576.db2.gz NIAZWWHFOIANOV-JXRSSESESA-N -1 1 343.427 2.301 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)O)cc2)cc1 ZINC000319894313 1409855992 /nfs/dbraw/zinc/85/59/92/1409855992.db2.gz WLGDFPGEMWCLNB-NSHDSACASA-N -1 1 334.397 2.499 20 0 EEADMM CC(C)OCc1noc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001772037666 1410020406 /nfs/dbraw/zinc/02/04/06/1410020406.db2.gz PDOPTLSFGALKIX-GOSISDBHSA-N -1 1 345.399 2.223 20 0 EEADMM COCc1ccccc1NC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC001772384585 1410159842 /nfs/dbraw/zinc/15/98/42/1410159842.db2.gz BNVASXZDJHYXNK-UHFFFAOYSA-N -1 1 334.401 2.372 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@H](F)C(C)C)n[n-]1 ZINC000846642083 790302898 /nfs/dbraw/zinc/30/28/98/790302898.db2.gz BCFACCHKCDAJSD-GHMZBOCLSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@H](F)C(C)C)[n-]1 ZINC000846642083 790302905 /nfs/dbraw/zinc/30/29/05/790302905.db2.gz BCFACCHKCDAJSD-GHMZBOCLSA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@H](F)C(C)C)n1 ZINC000846642083 790302911 /nfs/dbraw/zinc/30/29/11/790302911.db2.gz BCFACCHKCDAJSD-GHMZBOCLSA-N -1 1 328.388 2.179 20 0 EEADMM Cc1ccnc(NC2(CNC(=O)c3ncccc3[O-])CCCC2)n1 ZINC001104382586 760007523 /nfs/dbraw/zinc/00/75/23/760007523.db2.gz WRRDSFOINUYAEB-UHFFFAOYSA-N -1 1 327.388 2.040 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167584573 760456089 /nfs/dbraw/zinc/45/60/89/760456089.db2.gz YIEBTENWZONNNG-UONOGXRCSA-N -1 1 349.479 2.103 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2C(=O)[O-])N2CCCC2)o1 ZINC000780513355 761261394 /nfs/dbraw/zinc/26/13/94/761261394.db2.gz OIGKYCXGFURNKB-GJZGRUSLSA-N -1 1 349.431 2.374 20 0 EEADMM CC(C)(C)c1nc(CNCCNC(=O)c2ncccc2[O-])cs1 ZINC001126131285 770036611 /nfs/dbraw/zinc/03/66/11/770036611.db2.gz PWDPMLOCYBOXJH-UHFFFAOYSA-N -1 1 334.445 2.061 20 0 EEADMM C[C@@H](OC[C@H]1CCCO1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000921103382 770967173 /nfs/dbraw/zinc/96/71/73/770967173.db2.gz ZRQQQDCNEWYXFA-BXUZGUMPSA-N -1 1 348.351 2.126 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](c2ccccn2)C2CC2)c1 ZINC000921428699 773338204 /nfs/dbraw/zinc/33/82/04/773338204.db2.gz BBWIKIJYXIKLDZ-MRXNPFEDSA-N -1 1 334.397 2.225 20 0 EEADMM Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC001027844924 773441097 /nfs/dbraw/zinc/44/10/97/773441097.db2.gz YNIFZJQCPOJEMS-INIZCTEOSA-N -1 1 325.412 2.490 20 0 EEADMM CC(=O)N1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000994741186 773507423 /nfs/dbraw/zinc/50/74/23/773507423.db2.gz FCAIADFSECTWMH-QGZVFWFLSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC000942755142 783138176 /nfs/dbraw/zinc/13/81/76/783138176.db2.gz VHCQYTBOIAIUJX-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000938573546 774158834 /nfs/dbraw/zinc/15/88/34/774158834.db2.gz HYRBVSBNHNAWLE-ZDUSSCGKSA-N -1 1 333.432 2.142 20 0 EEADMM CCCC[C@@H](NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000780559630 783222405 /nfs/dbraw/zinc/22/24/05/783222405.db2.gz JPOCDTFYCGUJMO-GFCCVEGCSA-N -1 1 349.366 2.053 20 0 EEADMM CCCC[C@@H](NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)[O-] ZINC000780559630 783222414 /nfs/dbraw/zinc/22/24/14/783222414.db2.gz JPOCDTFYCGUJMO-GFCCVEGCSA-N -1 1 349.366 2.053 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2nc3cc(F)ccc3o2)C1 ZINC001058878942 777133093 /nfs/dbraw/zinc/13/30/93/777133093.db2.gz DIAUQFYGKGSCBK-NSHDSACASA-N -1 1 342.330 2.394 20 0 EEADMM Cc1ccccc1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940097575 778083528 /nfs/dbraw/zinc/08/35/28/778083528.db2.gz OYFQRLJDTQPNDX-UHFFFAOYSA-N -1 1 339.395 2.084 20 0 EEADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000940139130 778165880 /nfs/dbraw/zinc/16/58/80/778165880.db2.gz RYHWTZHLOOYPQM-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000981870806 778439174 /nfs/dbraw/zinc/43/91/74/778439174.db2.gz ZTJDTJVGJMIAAI-QWHCGFSZSA-N -1 1 348.447 2.039 20 0 EEADMM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)C1CCCC1 ZINC000940488871 778735504 /nfs/dbraw/zinc/73/55/04/778735504.db2.gz YVKWATMVZJLPMS-UMVBOHGHSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1oncc1CN1CC[C@@H](NC(=O)c2ncccc2O)C(C)(C)C1 ZINC000940703036 779146930 /nfs/dbraw/zinc/14/69/30/779146930.db2.gz KLBHEKAVBZAIJC-OAHLLOKOSA-N -1 1 344.415 2.114 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000940831952 779376732 /nfs/dbraw/zinc/37/67/32/779376732.db2.gz RQYZTDGWKKRLHT-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC1(C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC000940832656 779379110 /nfs/dbraw/zinc/37/91/10/779379110.db2.gz KMVBHUKHOMZPKJ-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)NCCc3n[n-]c(=S)n3C)CC2)c1 ZINC000067051549 779783410 /nfs/dbraw/zinc/78/34/10/779783410.db2.gz YRVOALCXGCXRHL-UHFFFAOYSA-N -1 1 330.457 2.485 20 0 EEADMM CCC[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000182943619 780054123 /nfs/dbraw/zinc/05/41/23/780054123.db2.gz YKUZWDVACBFTJZ-ZYHUDNBSSA-N -1 1 340.807 2.402 20 0 EEADMM CCn1c(CCNC(=O)CCOc2ccc(F)cc2)n[n-]c1=S ZINC000067078266 780548427 /nfs/dbraw/zinc/54/84/27/780548427.db2.gz BFAPUQSIMUGDTA-UHFFFAOYSA-N -1 1 338.408 2.227 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2c[n+]([O-])ccc2Cl)Cc2ccccc2C1 ZINC001167937371 781009885 /nfs/dbraw/zinc/00/98/85/781009885.db2.gz CCRHYZDBQACING-UHFFFAOYSA-N -1 1 340.703 2.058 20 0 EEADMM Cc1nccn1-c1ncccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000809621769 783246573 /nfs/dbraw/zinc/24/65/73/783246573.db2.gz QAHPWTDFKXAWQQ-UHFFFAOYSA-N -1 1 344.321 2.490 20 0 EEADMM CC1(CC(=O)N2CCCCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001088309166 783457366 /nfs/dbraw/zinc/45/73/66/783457366.db2.gz PYECHSHIAMIIBE-CQSZACIVSA-N -1 1 349.479 2.342 20 0 EEADMM CO[C@H](COC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000816378204 783957444 /nfs/dbraw/zinc/95/74/44/783957444.db2.gz MOLPHCPMJVSWPF-GFCCVEGCSA-N -1 1 326.418 2.113 20 0 EEADMM CCn1ncn([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)c1=O ZINC000816736429 784213789 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O=C(c1ccc(C2CCC2)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480321 784687191 /nfs/dbraw/zinc/68/71/91/784687191.db2.gz SFLKMBVSPMDUCD-CQSZACIVSA-N -1 1 329.429 2.398 20 0 EEADMM CSc1ncc(C(=O)NCCc2nc3ccccc3s2)c(=O)[n-]1 ZINC001135934853 784823527 /nfs/dbraw/zinc/82/35/27/784823527.db2.gz ALICYYZIXANYPZ-UHFFFAOYSA-N -1 1 346.437 2.486 20 0 EEADMM CC(C)N(CCOCCO)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000908065663 785060068 /nfs/dbraw/zinc/06/00/68/785060068.db2.gz HYGYLXNIBFRHLA-UHFFFAOYSA-N -1 1 333.384 2.111 20 0 EEADMM Cn1[n-]c(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cc1=O ZINC000908409629 785391455 /nfs/dbraw/zinc/39/14/55/785391455.db2.gz YIKFVSRKEDOQSK-UHFFFAOYSA-N -1 1 341.371 2.115 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC000946114046 785540112 /nfs/dbraw/zinc/54/01/12/785540112.db2.gz VWTOJJSMXRGWKV-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(=O)[O-] ZINC000908750853 785683285 /nfs/dbraw/zinc/68/32/85/785683285.db2.gz 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20 0 EEADMM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000909700351 786179900 /nfs/dbraw/zinc/17/99/00/786179900.db2.gz XLFRLKWPBIJUDE-LJQANCHMSA-N -1 1 332.444 2.120 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCCc1c[nH]nn1 ZINC000909746692 786223974 /nfs/dbraw/zinc/22/39/74/786223974.db2.gz GBVQIBRIRGSSPY-ZDUSSCGKSA-N -1 1 330.388 2.019 20 0 EEADMM CN(C(=O)c1c[nH]nc1C(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000909785365 786245436 /nfs/dbraw/zinc/24/54/36/786245436.db2.gz UIZDXPMXXPMQGA-UHFFFAOYSA-N -1 1 331.372 2.447 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccc2F)C[C@H]1C1CC1 ZINC000909904012 786334669 /nfs/dbraw/zinc/33/46/69/786334669.db2.gz CUJMQGVZQKEEOO-UONOGXRCSA-N -1 1 343.358 2.399 20 0 EEADMM C[C@@](Cc1ccccc1)(NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000909974504 786369888 /nfs/dbraw/zinc/36/98/88/786369888.db2.gz IGRDUSZXUGFMKL-UZLBHIALSA-N -1 1 344.455 2.311 20 0 EEADMM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)CN1CCCC1 ZINC000910067514 786428737 /nfs/dbraw/zinc/42/87/37/786428737.db2.gz DGVXGBRIDREEDE-KRWDZBQOSA-N -1 1 326.396 2.048 20 0 EEADMM COc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C1CC1 ZINC000910172807 786495023 /nfs/dbraw/zinc/49/50/23/786495023.db2.gz GGOIRMOBGGZSTD-ZDUSSCGKSA-N -1 1 346.427 2.194 20 0 EEADMM C[C@@H](NC(=O)CN(C)CCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000910150618 786500954 /nfs/dbraw/zinc/50/09/54/786500954.db2.gz UDJIJCCXBMMWQP-GFCCVEGCSA-N -1 1 347.440 2.193 20 0 EEADMM CN1CCCC[C@@H]1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000910215536 786528102 /nfs/dbraw/zinc/52/81/02/786528102.db2.gz SISYJIIAGAMYIT-GFCCVEGCSA-N -1 1 337.445 2.032 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1cc(C(F)F)[nH]n1)CC2 ZINC000910207139 786547618 /nfs/dbraw/zinc/54/76/18/786547618.db2.gz GJDLJQIRMNMWKM-UHFFFAOYSA-N -1 1 339.273 2.383 20 0 EEADMM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)c2nccc(N)n2)cnc1Cl ZINC000821272660 786648518 /nfs/dbraw/zinc/64/85/18/786648518.db2.gz UTWCHUBXZREWTO-QMMMGPOBSA-N -1 1 341.749 2.385 20 0 EEADMM O=C([O-])[C@@H](NC(=O)CN1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000910381386 786725487 /nfs/dbraw/zinc/72/54/87/786725487.db2.gz VYTWTUSSFDTTKV-ZDUSSCGKSA-N -1 1 330.306 2.043 20 0 EEADMM COc1ccccc1[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821882865 786930968 /nfs/dbraw/zinc/93/09/68/786930968.db2.gz MQKNGUHWNZMWCT-LLVKDONJSA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccccc1[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821882865 786930975 /nfs/dbraw/zinc/93/09/75/786930975.db2.gz MQKNGUHWNZMWCT-LLVKDONJSA-N -1 1 346.778 2.069 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)[nH]c2c1 ZINC000822280433 787108460 /nfs/dbraw/zinc/10/84/60/787108460.db2.gz MZSNYOCKTDQVCN-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)[nH]c2c1 ZINC000822280433 787108471 /nfs/dbraw/zinc/10/84/71/787108471.db2.gz MZSNYOCKTDQVCN-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc2ccncc2s1 ZINC000822286915 787112339 /nfs/dbraw/zinc/11/23/39/787112339.db2.gz JVXAABAAYNZFQE-UHFFFAOYSA-N -1 1 344.396 2.196 20 0 EEADMM Cc1ccccc1SCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822366656 787146527 /nfs/dbraw/zinc/14/65/27/787146527.db2.gz RCBXMHDZMGKVPW-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM Cc1ccccc1SCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822366656 787146533 /nfs/dbraw/zinc/14/65/33/787146533.db2.gz RCBXMHDZMGKVPW-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM CCCc1cc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])n[nH]1 ZINC000911052523 787197106 /nfs/dbraw/zinc/19/71/06/787197106.db2.gz HHKTYKXBCYHGFP-HNNXBMFYSA-N -1 1 329.356 2.023 20 0 EEADMM COc1ccccc1[C@@](N)(C(=O)[N-]C1=NC[C@@H](C)S1)C(F)(F)F ZINC000822481128 787226885 /nfs/dbraw/zinc/22/68/85/787226885.db2.gz JMYQJZQZDUIUJX-AMIZOPFISA-N -1 1 347.362 2.019 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000911097094 787241922 /nfs/dbraw/zinc/24/19/22/787241922.db2.gz ZMWHNDUCJYWMDS-CYBMUJFWSA-N -1 1 333.432 2.186 20 0 EEADMM CN(C)[C@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000911105122 787245176 /nfs/dbraw/zinc/24/51/76/787245176.db2.gz PRRUFZDDNHCMGQ-QGZVFWFLSA-N -1 1 344.386 2.486 20 0 EEADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2ccoc2)c(-c2nn[n-]n2)c1C ZINC000822540663 787257009 /nfs/dbraw/zinc/25/70/09/787257009.db2.gz FANJDUGJSXDTAT-JTQLQIEISA-N -1 1 344.375 2.129 20 0 EEADMM CN(C)c1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000911242029 787328342 /nfs/dbraw/zinc/32/83/42/787328342.db2.gz MOXCXSJJWZKUSG-NSHDSACASA-N -1 1 339.823 2.141 20 0 EEADMM CCN(CC)[C@H](CNC(=O)c1csc(C(=O)[O-])n1)c1ccco1 ZINC000911251909 787333879 /nfs/dbraw/zinc/33/38/79/787333879.db2.gz ANYZUFSQHBMMKM-LLVKDONJSA-N -1 1 337.401 2.247 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1 ZINC000911749641 787686972 /nfs/dbraw/zinc/68/69/72/787686972.db2.gz FIEDPMUNHZGBKO-AWEZNQCLSA-N -1 1 346.427 2.019 20 0 EEADMM CSCC[C@H](NC(=O)CCc1ccc(F)cc1F)c1nn[n-]n1 ZINC000912861391 788422394 /nfs/dbraw/zinc/42/23/94/788422394.db2.gz IVWQBISAYBLOQC-LBPRGKRZSA-N -1 1 341.387 2.021 20 0 EEADMM 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/nfs/dbraw/zinc/17/14/74/605171474.db2.gz HKKVXBNQDOQEOR-BMIGLBTASA-N -1 1 342.386 2.405 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC000833514340 605252881 /nfs/dbraw/zinc/25/28/81/605252881.db2.gz RCJZPWJFDVEMKW-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CCN1CCC(=O)[O-] ZINC000833620215 605256863 /nfs/dbraw/zinc/25/68/63/605256863.db2.gz FOSYQVAPZXLOSO-CQSZACIVSA-N -1 1 326.396 2.461 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C3CC3)C2)c1 ZINC000833752622 605347518 /nfs/dbraw/zinc/34/75/18/605347518.db2.gz ONXMQUWZFVIPCA-ZBFHGGJFSA-N -1 1 330.428 2.454 20 0 EEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325335533 605439167 /nfs/dbraw/zinc/43/91/67/605439167.db2.gz AZNFFNHYTGDAPZ-LSDHHAIUSA-N -1 1 337.464 2.290 20 0 EEADMM C/C(=C\CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1)C(=O)[O-] ZINC000833382914 605593796 /nfs/dbraw/zinc/59/37/96/605593796.db2.gz HTZMYJSZYOCNGG-RUDMXATFSA-N -1 1 333.369 2.366 20 0 EEADMM COc1ccc(C)cc1[C@H](C)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000833730638 605596939 /nfs/dbraw/zinc/59/69/39/605596939.db2.gz KPKBWELWSWWCDH-ZFWWWQNUSA-N -1 1 336.432 2.270 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821319120 606138729 /nfs/dbraw/zinc/13/87/29/606138729.db2.gz AQAGEXFVODVDBU-LLVKDONJSA-N -1 1 344.400 2.244 20 0 EEADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073349 606161080 /nfs/dbraw/zinc/16/10/80/606161080.db2.gz SJXHZQOZQUHUSH-DGCLKSJQSA-N -1 1 346.439 2.327 20 0 EEADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820073349 606161081 /nfs/dbraw/zinc/16/10/81/606161081.db2.gz SJXHZQOZQUHUSH-DGCLKSJQSA-N -1 1 346.439 2.327 20 0 EEADMM Cc1nc([C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)no1 ZINC000822436419 606215251 /nfs/dbraw/zinc/21/52/51/606215251.db2.gz LVKRJNUWWYDYTR-LURJTMIESA-N -1 1 338.784 2.010 20 0 EEADMM Cc1nc([C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)no1 ZINC000822436419 606215252 /nfs/dbraw/zinc/21/52/52/606215252.db2.gz LVKRJNUWWYDYTR-LURJTMIESA-N -1 1 338.784 2.010 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000823294795 606293409 /nfs/dbraw/zinc/29/34/09/606293409.db2.gz RNPHFTKTQFCFCG-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM CC(C)c1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cs1 ZINC000820202787 606297504 /nfs/dbraw/zinc/29/75/04/606297504.db2.gz LLQCDHVVZPKMLI-UHFFFAOYSA-N -1 1 330.373 2.405 20 0 EEADMM CCOc1ccc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)nc1 ZINC000821422534 606328859 /nfs/dbraw/zinc/32/88/59/606328859.db2.gz YKJJGJNLUDJCCN-UHFFFAOYSA-N -1 1 343.416 2.360 20 0 EEADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821457130 606364498 /nfs/dbraw/zinc/36/44/98/606364498.db2.gz URTBKIOFUPGARO-NEPJUHHUSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821457130 606364500 /nfs/dbraw/zinc/36/45/00/606364500.db2.gz URTBKIOFUPGARO-NEPJUHHUSA-N -1 1 332.433 2.056 20 0 EEADMM Clc1ccc(N2CCNc3ccccc3C2)nc1-c1nnn[n-]1 ZINC000822579236 606454614 /nfs/dbraw/zinc/45/46/14/606454614.db2.gz YVCLVBSUHRZRKX-UHFFFAOYSA-N -1 1 327.779 2.347 20 0 EEADMM Clc1ccc(N2CCNc3ccccc3C2)nc1-c1nn[n-]n1 ZINC000822579236 606454616 /nfs/dbraw/zinc/45/46/16/606454616.db2.gz YVCLVBSUHRZRKX-UHFFFAOYSA-N -1 1 327.779 2.347 20 0 EEADMM FC(F)Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC000822732529 606467872 /nfs/dbraw/zinc/46/78/72/606467872.db2.gz IPYTZJORNGXZEG-UHFFFAOYSA-N -1 1 326.698 2.120 20 0 EEADMM FC(F)Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC000822732529 606467873 /nfs/dbraw/zinc/46/78/73/606467873.db2.gz IPYTZJORNGXZEG-UHFFFAOYSA-N -1 1 326.698 2.120 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000821667838 606500075 /nfs/dbraw/zinc/50/00/75/606500075.db2.gz CHDGYNRHNCQTQC-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000821667838 606500077 /nfs/dbraw/zinc/50/00/77/606500077.db2.gz CHDGYNRHNCQTQC-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822213052 606518808 /nfs/dbraw/zinc/51/88/08/606518808.db2.gz SAIDFNQGXKPFCM-UHFFFAOYSA-N -1 1 348.366 2.268 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822213052 606518809 /nfs/dbraw/zinc/51/88/09/606518809.db2.gz SAIDFNQGXKPFCM-UHFFFAOYSA-N -1 1 348.366 2.268 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821828281 606534904 /nfs/dbraw/zinc/53/49/04/606534904.db2.gz RPYDSSDNBGJSAR-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821828281 606534906 /nfs/dbraw/zinc/53/49/06/606534906.db2.gz RPYDSSDNBGJSAR-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822213073 606548042 /nfs/dbraw/zinc/54/80/42/606548042.db2.gz SSGSSDLEVKYRJP-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822213073 606548044 /nfs/dbraw/zinc/54/80/44/606548044.db2.gz SSGSSDLEVKYRJP-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823182578 606565459 /nfs/dbraw/zinc/56/54/59/606565459.db2.gz MSMGWGCMWWTTBT-LLVKDONJSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823182578 606565461 /nfs/dbraw/zinc/56/54/61/606565461.db2.gz MSMGWGCMWWTTBT-LLVKDONJSA-N -1 1 339.424 2.463 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000821668271 606581391 /nfs/dbraw/zinc/58/13/91/606581391.db2.gz YCYACIGSGWUGTD-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000821668271 606581392 /nfs/dbraw/zinc/58/13/92/606581392.db2.gz YCYACIGSGWUGTD-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2cc(F)ccc2[nH]1 ZINC000823436251 606650735 /nfs/dbraw/zinc/65/07/35/606650735.db2.gz NTNKBOVEEBKKAR-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2cc(F)ccc2[nH]1 ZINC000823436251 606650734 /nfs/dbraw/zinc/65/07/34/606650734.db2.gz NTNKBOVEEBKKAR-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM COc1cccc(C=C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000821864350 606724752 /nfs/dbraw/zinc/72/47/52/606724752.db2.gz XYIKATIFDJJAID-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM COc1cccc(C=C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000821864350 606724754 /nfs/dbraw/zinc/72/47/54/606724754.db2.gz XYIKATIFDJJAID-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM COc1ccc(Cl)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821823695 607023941 /nfs/dbraw/zinc/02/39/41/607023941.db2.gz AJBCPNSILZJLTF-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1ccc(Cl)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821823695 607023943 /nfs/dbraw/zinc/02/39/43/607023943.db2.gz AJBCPNSILZJLTF-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM CCCCC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821048691 607194498 /nfs/dbraw/zinc/19/44/98/607194498.db2.gz FZAULHJKUCYNME-NSHDSACASA-N -1 1 332.412 2.177 20 0 EEADMM CCCCC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821048691 607194499 /nfs/dbraw/zinc/19/44/99/607194499.db2.gz FZAULHJKUCYNME-NSHDSACASA-N -1 1 332.412 2.177 20 0 EEADMM O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826462268 607956170 /nfs/dbraw/zinc/95/61/70/607956170.db2.gz SPGHAHWCEJWFBE-MUWHJKNJSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826462268 607956171 /nfs/dbraw/zinc/95/61/71/607956171.db2.gz SPGHAHWCEJWFBE-MUWHJKNJSA-N -1 1 348.306 2.195 20 0 EEADMM Oc1ccc2c(c1)CCN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826511153 608183132 /nfs/dbraw/zinc/18/31/32/608183132.db2.gz DUSPFZQKIWEIBK-UHFFFAOYSA-N -1 1 348.819 2.287 20 0 EEADMM Oc1ccc2c(c1)CCN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826511153 608183134 /nfs/dbraw/zinc/18/31/34/608183134.db2.gz DUSPFZQKIWEIBK-UHFFFAOYSA-N -1 1 348.819 2.287 20 0 EEADMM CS[C@@H](C)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225366 608342460 /nfs/dbraw/zinc/34/24/60/608342460.db2.gz AGICMPJSDQNAMN-VIFPVBQESA-N -1 1 337.453 2.288 20 0 EEADMM CS[C@@H](C)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225366 608342461 /nfs/dbraw/zinc/34/24/61/608342461.db2.gz AGICMPJSDQNAMN-VIFPVBQESA-N -1 1 337.453 2.288 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc2n[nH]cc21 ZINC000826270953 608384126 /nfs/dbraw/zinc/38/41/26/608384126.db2.gz VUFVUPGGJFCCRG-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc2n[nH]cc21 ZINC000826270953 608384128 /nfs/dbraw/zinc/38/41/28/608384128.db2.gz VUFVUPGGJFCCRG-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM CC(C)N(C)c1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000824288267 608411347 /nfs/dbraw/zinc/41/13/47/608411347.db2.gz BMWOQEYOBUDNJJ-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM CC(C)N(C)c1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000824288267 608411348 /nfs/dbraw/zinc/41/13/48/608411348.db2.gz BMWOQEYOBUDNJJ-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM c1ccc(SC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826523067 608427322 /nfs/dbraw/zinc/42/73/22/608427322.db2.gz ZIGVPDCPCKNHEX-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826523067 608427324 /nfs/dbraw/zinc/42/73/24/608427324.db2.gz ZIGVPDCPCKNHEX-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM O=C(/C=C\C1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826399803 609289732 /nfs/dbraw/zinc/28/97/32/609289732.db2.gz GNEYEEKLNZSVAE-SREVYHEPSA-N -1 1 339.334 2.096 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826369729 609316796 /nfs/dbraw/zinc/31/67/96/609316796.db2.gz ONQIHTODUXWOCC-RXMQYKEDSA-N -1 1 336.755 2.185 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826369729 609316797 /nfs/dbraw/zinc/31/67/97/609316797.db2.gz ONQIHTODUXWOCC-RXMQYKEDSA-N -1 1 336.755 2.185 20 0 EEADMM CC(C)[C@H]1C[C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000824213990 609400637 /nfs/dbraw/zinc/40/06/37/609400637.db2.gz DMXSBHJZDDRKRY-SWLSCSKDSA-N -1 1 345.403 2.146 20 0 EEADMM CC(C)[C@H]1C[C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000824213990 609400638 /nfs/dbraw/zinc/40/06/38/609400638.db2.gz DMXSBHJZDDRKRY-SWLSCSKDSA-N -1 1 345.403 2.146 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426296 609407474 /nfs/dbraw/zinc/40/74/74/609407474.db2.gz KNMOWDPWMSCRBJ-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426296 609407476 /nfs/dbraw/zinc/40/74/76/609407476.db2.gz KNMOWDPWMSCRBJ-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM Cc1onc(CC(=O)NCC2CCC(C)(C)CC2)c1-c1nnn[n-]1 ZINC000826347664 609467845 /nfs/dbraw/zinc/46/78/45/609467845.db2.gz ZGUGTCFDJDCZJK-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC2CCC(C)(C)CC2)c1-c1nn[n-]n1 ZINC000826347664 609467847 /nfs/dbraw/zinc/46/78/47/609467847.db2.gz ZGUGTCFDJDCZJK-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM CSCC(C)(C)NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000890875999 675695345 /nfs/dbraw/zinc/69/53/45/675695345.db2.gz CTEDMNDSOKEOFX-UHFFFAOYSA-N -1 1 336.461 2.242 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1ccnc(OC2CCC2)c1 ZINC000090054820 676865337 /nfs/dbraw/zinc/86/53/37/676865337.db2.gz UUKVRFYQCVAUOL-UHFFFAOYSA-N -1 1 347.444 2.259 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2Cc2ccsc2)c1[O-] ZINC001024384447 679886304 /nfs/dbraw/zinc/88/63/04/679886304.db2.gz CRMBDCUNKCNIBO-CYBMUJFWSA-N -1 1 334.445 2.270 20 0 EEADMM CC(C)=C(F)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937335619 681285139 /nfs/dbraw/zinc/28/51/39/681285139.db2.gz BTMXQEJBUPRDKC-LBPRGKRZSA-N -1 1 335.379 2.162 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982912582 681499934 /nfs/dbraw/zinc/49/99/34/681499934.db2.gz JLZQCAXKKCGAPI-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM CN(C(=O)C1(F)CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937218966 681723588 /nfs/dbraw/zinc/72/35/88/681723588.db2.gz BSPOFASCTRIVBN-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM O=C(C[C@H]1CC=CCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983082891 681762331 /nfs/dbraw/zinc/76/23/31/681762331.db2.gz BGOXFSWRSFWSCO-LSDHHAIUSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)n1c(CNC(=O)c2ccc(Cn3cccn3)o2)n[n-]c1=S ZINC000066640266 681779215 /nfs/dbraw/zinc/77/92/15/681779215.db2.gz JLHWZLWDJKZOBD-UHFFFAOYSA-N -1 1 346.416 2.289 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983132568 681876067 /nfs/dbraw/zinc/87/60/67/681876067.db2.gz GPORVVSSRJSGOY-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC001059135916 682551964 /nfs/dbraw/zinc/55/19/64/682551964.db2.gz BNBRJHZEXCLNFW-LSDHHAIUSA-N -1 1 343.427 2.112 20 0 EEADMM CC1(C)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973600162 682812529 /nfs/dbraw/zinc/81/25/29/682812529.db2.gz FNGQEEAUUWGVEI-GSPSYOTPSA-N -1 1 343.427 2.085 20 0 EEADMM CC[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983629897 683025398 /nfs/dbraw/zinc/02/53/98/683025398.db2.gz YOIHICAPGUMJQY-MCIONIFRSA-N -1 1 333.432 2.190 20 0 EEADMM 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/nfs/dbraw/zinc/88/25/54/1351882554.db2.gz RFBHPNSCWUINBN-SSDOTTSWSA-N -1 1 329.286 2.114 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609188519 1351882558 /nfs/dbraw/zinc/88/25/58/1351882558.db2.gz RFBHPNSCWUINBN-SSDOTTSWSA-N -1 1 329.286 2.114 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001326073620 1334023515 /nfs/dbraw/zinc/02/35/15/1334023515.db2.gz CBLYSYKIOIHMQZ-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM CCC[C@H](C)NC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001609204969 1351890684 /nfs/dbraw/zinc/89/06/84/1351890684.db2.gz UVIKHAJHEMANRI-WCBMZHEXSA-N -1 1 349.464 2.059 20 0 EEADMM CCCOc1ccc2c(c1)CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001609216602 1351897766 /nfs/dbraw/zinc/89/77/66/1351897766.db2.gz VCOGHDLLDIEXRM-UHFFFAOYSA-N -1 1 337.387 2.008 20 0 EEADMM CCCOc1ccc2c(c1)CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001609216602 1351897771 /nfs/dbraw/zinc/89/77/71/1351897771.db2.gz VCOGHDLLDIEXRM-UHFFFAOYSA-N -1 1 337.387 2.008 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CC(OC(C)(C)C)C1 ZINC001609261726 1351914265 /nfs/dbraw/zinc/91/42/65/1351914265.db2.gz PBCHBSDGBFIXCM-UHFFFAOYSA-N -1 1 345.407 2.072 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CC(OC(C)(C)C)C1 ZINC001609261726 1351914268 /nfs/dbraw/zinc/91/42/68/1351914268.db2.gz PBCHBSDGBFIXCM-UHFFFAOYSA-N -1 1 345.407 2.072 20 0 EEADMM C[C@]1(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CC1(Cl)Cl ZINC001327953590 1334369400 /nfs/dbraw/zinc/36/94/00/1334369400.db2.gz KQHDZHLGIRDTMU-YPMHNXCESA-N -1 1 340.214 2.379 20 0 EEADMM COC(=O)N(C)Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609300324 1351924459 /nfs/dbraw/zinc/92/44/59/1351924459.db2.gz MMYOYRRCGFZOKX-UHFFFAOYSA-N -1 1 339.359 2.204 20 0 EEADMM COC(=O)N(C)Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609300324 1351924462 /nfs/dbraw/zinc/92/44/62/1351924462.db2.gz MMYOYRRCGFZOKX-UHFFFAOYSA-N -1 1 339.359 2.204 20 0 EEADMM COC1(C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCC1 ZINC001328709604 1334504672 /nfs/dbraw/zinc/50/46/72/1334504672.db2.gz YENDINSBOMVCOH-UHFFFAOYSA-N -1 1 325.217 2.236 20 0 EEADMM CSc1ccc(F)cc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609372683 1351950911 /nfs/dbraw/zinc/95/09/11/1351950911.db2.gz BCDXMZOGOUVLDD-UHFFFAOYSA-N -1 1 331.380 2.438 20 0 EEADMM CSc1ccc(F)cc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609372683 1351950915 /nfs/dbraw/zinc/95/09/15/1351950915.db2.gz BCDXMZOGOUVLDD-UHFFFAOYSA-N -1 1 331.380 2.438 20 0 EEADMM Cc1cc(-n2cccn2)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609392961 1351957772 /nfs/dbraw/zinc/95/77/72/1351957772.db2.gz PPSFAVCPCBDQNC-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(-n2cccn2)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609392961 1351957775 /nfs/dbraw/zinc/95/77/75/1351957775.db2.gz PPSFAVCPCBDQNC-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccsc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001609439402 1351977912 /nfs/dbraw/zinc/97/79/12/1351977912.db2.gz FJWKFQIWUDZXET-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1ccsc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001609439402 1351977913 /nfs/dbraw/zinc/97/79/13/1351977913.db2.gz FJWKFQIWUDZXET-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1nsc(N(C)Cc2cnc(C(C)C)nc2)c1-c1nn[n-]n1 ZINC001609463707 1351987156 /nfs/dbraw/zinc/98/71/56/1351987156.db2.gz DOEXOWVLULYVGW-UHFFFAOYSA-N -1 1 330.421 2.181 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3c(c2)CCO3)no1 ZINC001609466054 1351988062 /nfs/dbraw/zinc/98/80/62/1351988062.db2.gz AQPBYZDYDPPUQC-UHFFFAOYSA-N -1 1 336.311 2.420 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3c(c2)CCO3)no1 ZINC001609466054 1351988064 /nfs/dbraw/zinc/98/80/64/1351988064.db2.gz AQPBYZDYDPPUQC-UHFFFAOYSA-N -1 1 336.311 2.420 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(CCC2CCOCC2)no1 ZINC001609466493 1351988405 /nfs/dbraw/zinc/98/84/05/1351988405.db2.gz BWHMEDHKPMIXML-UHFFFAOYSA-N -1 1 330.348 2.177 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(CCC2CCOCC2)no1 ZINC001609466493 1351988407 /nfs/dbraw/zinc/98/84/07/1351988407.db2.gz BWHMEDHKPMIXML-UHFFFAOYSA-N -1 1 330.348 2.177 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC001609468225 1351988628 /nfs/dbraw/zinc/98/86/28/1351988628.db2.gz LFDKSLRCNGFXLO-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(-c2nnco2)c1 ZINC001609468225 1351988632 /nfs/dbraw/zinc/98/86/32/1351988632.db2.gz LFDKSLRCNGFXLO-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Clc1ccc(OCCCn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001609473489 1351990610 /nfs/dbraw/zinc/99/06/10/1351990610.db2.gz NUXWSBLQKQRHOU-UHFFFAOYSA-N -1 1 343.778 2.438 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001609490971 1351996946 /nfs/dbraw/zinc/99/69/46/1351996946.db2.gz RAWZZAVIWZFIPR-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(F)c(C[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001609490971 1351996947 /nfs/dbraw/zinc/99/69/47/1351996947.db2.gz RAWZZAVIWZFIPR-GFCCVEGCSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(OCc2noc(C3CCCCC3)n2)c(-c2nn[n-]n2)n1 ZINC001609491348 1351997240 /nfs/dbraw/zinc/99/72/40/1351997240.db2.gz ZJYHUBZFCMCEQW-UHFFFAOYSA-N -1 1 345.338 2.411 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)OCc1cccnc1-c1nnn[n-]1 ZINC001609534620 1352008139 /nfs/dbraw/zinc/00/81/39/1352008139.db2.gz CKWAYLBISKSPCV-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)OCc1cccnc1-c1nn[n-]n1 ZINC001609534620 1352008145 /nfs/dbraw/zinc/00/81/45/1352008145.db2.gz CKWAYLBISKSPCV-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(NCCSCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609550888 1352013531 /nfs/dbraw/zinc/01/35/31/1352013531.db2.gz SODZNVGHNBZECV-UHFFFAOYSA-N -1 1 349.313 2.031 20 0 EEADMM O=C(NCCSCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609550888 1352013533 /nfs/dbraw/zinc/01/35/33/1352013533.db2.gz SODZNVGHNBZECV-UHFFFAOYSA-N -1 1 349.313 2.031 20 0 EEADMM OCC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccco1 ZINC001609609179 1352035878 /nfs/dbraw/zinc/03/58/78/1352035878.db2.gz DGVJVNWCVMNGLG-LURJTMIESA-N -1 1 326.769 2.105 20 0 EEADMM OCC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccco1 ZINC001609609179 1352035882 /nfs/dbraw/zinc/03/58/82/1352035882.db2.gz DGVJVNWCVMNGLG-LURJTMIESA-N -1 1 326.769 2.105 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]3CCC[C@@H]23)cc1 ZINC001609617086 1352041598 /nfs/dbraw/zinc/04/15/98/1352041598.db2.gz UQIYVYIWILVEKG-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]3CCC[C@@H]23)cc1 ZINC001609617086 1352041601 /nfs/dbraw/zinc/04/16/01/1352041601.db2.gz UQIYVYIWILVEKG-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC001609664968 1352053441 /nfs/dbraw/zinc/05/34/41/1352053441.db2.gz NFSQRDSWZNXQAL-ZJUUUORDSA-N -1 1 340.342 2.239 20 0 EEADMM Cn1cc([C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc2)cn1 ZINC001334932667 1336314823 /nfs/dbraw/zinc/31/48/23/1336314823.db2.gz CJJOHKWVFWYYAP-MRXNPFEDSA-N -1 1 349.394 2.313 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1ccc2nn[nH]c2c1 ZINC001609727189 1352070168 /nfs/dbraw/zinc/07/01/68/1352070168.db2.gz ITZZDUSLENLWML-SNVBAGLBSA-N -1 1 339.355 2.485 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1ccc2n[nH]nc2c1 ZINC001609727189 1352070171 /nfs/dbraw/zinc/07/01/71/1352070171.db2.gz ITZZDUSLENLWML-SNVBAGLBSA-N -1 1 339.355 2.485 20 0 EEADMM CN(Cc1ccco1)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001340088092 1337120463 /nfs/dbraw/zinc/12/04/63/1337120463.db2.gz VDFZICSUARSNPS-UHFFFAOYSA-N -1 1 326.360 2.085 20 0 EEADMM CC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)CCN1Cc1ccccc1 ZINC001609947485 1352127140 /nfs/dbraw/zinc/12/71/40/1352127140.db2.gz OIBRGOHRAIKYHH-HNNXBMFYSA-N -1 1 341.411 2.450 20 0 EEADMM CCCc1nc(C)cc(OCc2nnnn2C(C)(C)C)c1C(=O)[O-] ZINC001609984637 1352134493 /nfs/dbraw/zinc/13/44/93/1352134493.db2.gz BTFZHUSAPVXCJL-UHFFFAOYSA-N -1 1 333.392 2.361 20 0 EEADMM CN(C)Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cn1 ZINC001610100976 1352162513 /nfs/dbraw/zinc/16/25/13/1352162513.db2.gz AKRSHHHZLHDXSV-SFHVURJKSA-N -1 1 345.374 2.012 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)n1 ZINC001610445316 1352223244 /nfs/dbraw/zinc/22/32/44/1352223244.db2.gz NLWBSXVSJCPBJA-UKRRQHHQSA-N -1 1 330.363 2.480 20 0 EEADMM Cc1cc(C(=O)[O-])nc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC001610443205 1352223015 /nfs/dbraw/zinc/22/30/15/1352223015.db2.gz IHHSYLHXJMXAOE-UHFFFAOYSA-N -1 1 328.307 2.020 20 0 EEADMM Cc1cc(C(=O)[O-])nc(NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC001610443205 1352223017 /nfs/dbraw/zinc/22/30/17/1352223017.db2.gz IHHSYLHXJMXAOE-UHFFFAOYSA-N -1 1 328.307 2.020 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cnn(C)c1 ZINC001610486416 1352231182 /nfs/dbraw/zinc/23/11/82/1352231182.db2.gz HNWBDVHDBLOADT-RYUDHWBXSA-N -1 1 330.388 2.105 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3nc(C(=O)[O-])ns3)on2)cc1 ZINC001610479872 1352229863 /nfs/dbraw/zinc/22/98/63/1352229863.db2.gz UGKBOFUWUPQGJY-UHFFFAOYSA-N -1 1 330.325 2.452 20 0 EEADMM Cc1cccc(CN2CCCC[C@H]2C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001610522023 1352237990 /nfs/dbraw/zinc/23/79/90/1352237990.db2.gz MDDKNMUWGUSWHL-INIZCTEOSA-N -1 1 330.428 2.331 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cn1 ZINC001610836041 1352282597 /nfs/dbraw/zinc/28/25/97/1352282597.db2.gz UJUSCNIJVYIBIP-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC001610821391 1352280466 /nfs/dbraw/zinc/28/04/66/1352280466.db2.gz HFCOEGZKKVTIHQ-HNNXBMFYSA-N -1 1 336.351 2.217 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)CC1CCCCC1 ZINC001428982213 1339759060 /nfs/dbraw/zinc/75/90/60/1339759060.db2.gz LQGJJASPWQSATR-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM O=C([O-])c1ccoc1CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC001610855261 1352286202 /nfs/dbraw/zinc/28/62/02/1352286202.db2.gz PJWJVOGIPWQUKR-INIZCTEOSA-N -1 1 330.384 2.141 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001610864957 1352287426 /nfs/dbraw/zinc/28/74/26/1352287426.db2.gz QSDXDQMLTQTCJR-UHFFFAOYSA-N -1 1 334.347 2.082 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC001429607992 1339957652 /nfs/dbraw/zinc/95/76/52/1339957652.db2.gz WMPJFYWTWFUXML-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001431422057 1340589593 /nfs/dbraw/zinc/58/95/93/1340589593.db2.gz CBIQULIUOPDYCH-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cc(C(=O)N(C)c2nn[n-]n2)ccc1NC(=O)c1cccs1 ZINC001617641806 1352343026 /nfs/dbraw/zinc/34/30/26/1352343026.db2.gz GHBHFLBUSAOFHM-UHFFFAOYSA-N -1 1 342.384 2.099 20 0 EEADMM COc1cc2[n-]cc(C(=O)NCc3ccccc3)c(=O)c2c(OC)c1 ZINC001618482093 1352350726 /nfs/dbraw/zinc/35/07/26/1352350726.db2.gz SFPBAGBPUFXMOT-UHFFFAOYSA-N -1 1 338.363 2.475 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])c(Cl)c1 ZINC001433500173 1341613985 /nfs/dbraw/zinc/61/39/85/1341613985.db2.gz DWKXAUHCTFKVAL-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)c2c(C)n[nH]c2C)c(=O)[n-]1 ZINC001434051491 1341753897 /nfs/dbraw/zinc/75/38/97/1341753897.db2.gz NSVSGGAMYXFVNU-VIFPVBQESA-N -1 1 349.460 2.362 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1(C)C ZINC001434113592 1341768061 /nfs/dbraw/zinc/76/80/61/1341768061.db2.gz SPMSECJYSRKXQI-VXGBXAGGSA-N -1 1 335.404 2.209 20 0 EEADMM CCC(=O)c1ccc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1 ZINC001434201798 1341790312 /nfs/dbraw/zinc/79/03/12/1341790312.db2.gz PNXNBIWBRYVZJO-LBPRGKRZSA-N -1 1 333.417 2.017 20 0 EEADMM C[C@@H](NC(=O)CCCc1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC001540607797 1342326917 /nfs/dbraw/zinc/32/69/17/1342326917.db2.gz AXWKZDXIJCFTHP-SECBINFHSA-N -1 1 349.345 2.145 20 0 EEADMM CC(=O)c1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1C ZINC001557724316 1342453679 /nfs/dbraw/zinc/45/36/79/1342453679.db2.gz NMJXIOAVMVMQAI-INIZCTEOSA-N -1 1 335.367 2.230 20 0 EEADMM O=C(Cc1cccc2cccnc21)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001557724577 1342453747 /nfs/dbraw/zinc/45/37/47/1342453747.db2.gz YMZJPRZBFXDUTC-SFHVURJKSA-N -1 1 344.378 2.196 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2ccc(Nc3ccncc3)cc2)[nH]1 ZINC001574965422 1343715182 /nfs/dbraw/zinc/71/51/82/1343715182.db2.gz UNCIIFLIJHBVRG-UHFFFAOYSA-N -1 1 336.351 2.203 20 0 EEADMM CC1(C)CN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)[C@@H]2CCC[C@@H]21 ZINC001575702385 1343860417 /nfs/dbraw/zinc/86/04/17/1343860417.db2.gz HMGMGANKNIBKRQ-GXSJLCMTSA-N -1 1 347.448 2.043 20 0 EEADMM CC1(C)CN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)[C@@H]2CCC[C@@H]21 ZINC001575702385 1343860424 /nfs/dbraw/zinc/86/04/24/1343860424.db2.gz HMGMGANKNIBKRQ-GXSJLCMTSA-N -1 1 347.448 2.043 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C[C@@H]1OC ZINC001577110348 1344090962 /nfs/dbraw/zinc/09/09/62/1344090962.db2.gz LOPQLZHIGVKTMH-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C[C@@H]1OC ZINC001577110348 1344090964 /nfs/dbraw/zinc/09/09/64/1344090964.db2.gz LOPQLZHIGVKTMH-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(NC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CCCC1 ZINC001577113844 1344091343 /nfs/dbraw/zinc/09/13/43/1344091343.db2.gz HNLINPDQJSMTON-UHFFFAOYSA-N -1 1 331.380 2.115 20 0 EEADMM CCC1(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)CCCCC1 ZINC001577113860 1344091499 /nfs/dbraw/zinc/09/14/99/1344091499.db2.gz ICRXNFUNCHEUFR-UHFFFAOYSA-N -1 1 330.392 2.118 20 0 EEADMM CCN(CCCNc1cc(-c2nnn[n-]2)nc(C)n1)c1ccccc1 ZINC001577919491 1344214538 /nfs/dbraw/zinc/21/45/38/1344214538.db2.gz HYIYSFKSIJUBHB-UHFFFAOYSA-N -1 1 338.419 2.294 20 0 EEADMM CCN(CCCNc1cc(-c2nn[n-]n2)nc(C)n1)c1ccccc1 ZINC001577919491 1344214543 /nfs/dbraw/zinc/21/45/43/1344214543.db2.gz HYIYSFKSIJUBHB-UHFFFAOYSA-N -1 1 338.419 2.294 20 0 EEADMM COC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)CC1CCCC1 ZINC001579434771 1344381413 /nfs/dbraw/zinc/38/14/13/1344381413.db2.gz ZUFXNTWWBQJJQG-LBPRGKRZSA-N -1 1 330.392 2.043 20 0 EEADMM COC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001579434771 1344381417 /nfs/dbraw/zinc/38/14/17/1344381417.db2.gz ZUFXNTWWBQJJQG-LBPRGKRZSA-N -1 1 330.392 2.043 20 0 EEADMM COc1ccc(N(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC001580035141 1344452823 /nfs/dbraw/zinc/45/28/23/1344452823.db2.gz LRXYRQXDOIUWHL-UHFFFAOYSA-N -1 1 343.322 2.078 20 0 EEADMM COc1ccc(N(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC001580035141 1344452827 /nfs/dbraw/zinc/45/28/27/1344452827.db2.gz LRXYRQXDOIUWHL-UHFFFAOYSA-N -1 1 343.322 2.078 20 0 EEADMM COc1ncc(NC(=O)[C@H]2CCC=CCCC2)cc1-c1nn[n-]n1 ZINC001580133286 1344478020 /nfs/dbraw/zinc/47/80/20/1344478020.db2.gz JURYZKBQKANTAK-NSHDSACASA-N -1 1 328.376 2.345 20 0 EEADMM Cc1c(Nc2cncc(-c3nnn[n-]3)n2)cnn1-c1ccc(F)cc1 ZINC001580559807 1344536142 /nfs/dbraw/zinc/53/61/42/1344536142.db2.gz HRMXHOZUEVRGMV-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2cncc(-c3nn[n-]n3)n2)cnn1-c1ccc(F)cc1 ZINC001580559807 1344536146 /nfs/dbraw/zinc/53/61/46/1344536146.db2.gz HRMXHOZUEVRGMV-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)noc1C(C)(C)C ZINC001580560032 1344536319 /nfs/dbraw/zinc/53/63/19/1344536319.db2.gz SIVSJLHZPUWPTB-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)noc1C(C)(C)C ZINC001580560032 1344536322 /nfs/dbraw/zinc/53/63/22/1344536322.db2.gz SIVSJLHZPUWPTB-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1(C2CCCCC2)CC1 ZINC001580603758 1344542015 /nfs/dbraw/zinc/54/20/15/1344542015.db2.gz WWKNLEUYOALSSE-UHFFFAOYSA-N -1 1 342.403 2.118 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc2ccc(C)nc2s1 ZINC001581215648 1344599923 /nfs/dbraw/zinc/59/99/23/1344599923.db2.gz CCJJOVCPFYDJQD-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2ccc(C)nc2s1 ZINC001581215648 1344599924 /nfs/dbraw/zinc/59/99/24/1344599924.db2.gz CCJJOVCPFYDJQD-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM Cn1c2ccccc2sc1=NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001581747088 1344659975 /nfs/dbraw/zinc/65/99/75/1344659975.db2.gz XIVVHZICJHSFOM-UHFFFAOYSA-N -1 1 342.409 2.223 20 0 EEADMM Cn1c2ccccc2sc1=NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001581747088 1344659977 /nfs/dbraw/zinc/65/99/77/1344659977.db2.gz XIVVHZICJHSFOM-UHFFFAOYSA-N -1 1 342.409 2.223 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1Cc1ccc(F)cc1 ZINC001582806355 1344794548 /nfs/dbraw/zinc/79/45/48/1344794548.db2.gz OVDZFPPQAYIOLQ-UHFFFAOYSA-N -1 1 339.252 2.235 20 0 EEADMM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc(F)c1O ZINC001587162679 1348858912 /nfs/dbraw/zinc/85/89/12/1348858912.db2.gz UJBHTXLNEFXMQY-CYBMUJFWSA-N -1 1 342.330 2.069 20 0 EEADMM C=C/C=C\CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588530330 1348913939 /nfs/dbraw/zinc/91/39/39/1348913939.db2.gz KGPQVPNXXXURHW-ARJAWSKDSA-N -1 1 338.293 2.143 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001588770864 1348933134 /nfs/dbraw/zinc/93/31/34/1348933134.db2.gz QCSFFXXWZSBWIO-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001588770864 1348933136 /nfs/dbraw/zinc/93/31/36/1348933136.db2.gz QCSFFXXWZSBWIO-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2csc(-c3nn[n-]n3)c2)n1 ZINC001589027523 1348953275 /nfs/dbraw/zinc/95/32/75/1348953275.db2.gz OEKIRCFUDZYCEC-SSDOTTSWSA-N -1 1 348.388 2.423 20 0 EEADMM CC(C)(C(=O)OCc1cccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001589061544 1348956955 /nfs/dbraw/zinc/95/69/55/1348956955.db2.gz DBXAPMMXKOHQCD-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM CC(C)(C(=O)OCc1cccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589061544 1348956961 /nfs/dbraw/zinc/95/69/61/1348956961.db2.gz DBXAPMMXKOHQCD-UHFFFAOYSA-N -1 1 341.346 2.422 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589119218 1348961885 /nfs/dbraw/zinc/96/18/85/1348961885.db2.gz SGTJPNIXCJFPGF-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589119218 1348961889 /nfs/dbraw/zinc/96/18/89/1348961889.db2.gz SGTJPNIXCJFPGF-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589125432 1348962814 /nfs/dbraw/zinc/96/28/14/1348962814.db2.gz YMOZFYWFPZJZHT-UHFFFAOYSA-N -1 1 329.451 2.033 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnc(Cl)c2)n1 ZINC001589250171 1348975129 /nfs/dbraw/zinc/97/51/29/1348975129.db2.gz DTGBJOAGTJMFRG-UHFFFAOYSA-N -1 1 346.782 2.119 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnc(Cl)c2)n1 ZINC001589250171 1348975133 /nfs/dbraw/zinc/97/51/33/1348975133.db2.gz DTGBJOAGTJMFRG-UHFFFAOYSA-N -1 1 346.782 2.119 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589460365 1348992424 /nfs/dbraw/zinc/99/24/24/1348992424.db2.gz OYUMFYQUGBXCSU-CYBMUJFWSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589460365 1348992425 /nfs/dbraw/zinc/99/24/25/1348992425.db2.gz OYUMFYQUGBXCSU-CYBMUJFWSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCCO1 ZINC001589520284 1349000218 /nfs/dbraw/zinc/00/02/18/1349000218.db2.gz SIYLBOZJNPUDPY-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)C[C@H](C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589550546 1349003378 /nfs/dbraw/zinc/00/33/78/1349003378.db2.gz KOWGNPIAMJOKQB-QMMMGPOBSA-N -1 1 342.325 2.445 20 0 EEADMM CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1CCSC1=S ZINC001589702082 1349022240 /nfs/dbraw/zinc/02/22/40/1349022240.db2.gz QIUPEIDTMFIMLH-UHFFFAOYSA-N -1 1 348.501 2.368 20 0 EEADMM CC(C)c1ccccc1OCCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589772256 1349035835 /nfs/dbraw/zinc/03/58/35/1349035835.db2.gz HKNONNXHYPADCY-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)c1ccccc1OCCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589772256 1349035845 /nfs/dbraw/zinc/03/58/45/1349035845.db2.gz HKNONNXHYPADCY-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC001590082991 1349143311 /nfs/dbraw/zinc/14/33/11/1349143311.db2.gz NTRAPMWSAGXNRZ-SECBINFHSA-N -1 1 335.408 2.410 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC001590082991 1349143315 /nfs/dbraw/zinc/14/33/15/1349143315.db2.gz NTRAPMWSAGXNRZ-SECBINFHSA-N -1 1 335.408 2.410 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nnn[n-]2)C[C@](C)(C(F)(F)F)O1 ZINC001590108249 1349157595 /nfs/dbraw/zinc/15/75/95/1349157595.db2.gz MFIRDRDWVNCBSS-CYBMUJFWSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(c2cccnc2-c2nn[n-]n2)C[C@](C)(C(F)(F)F)O1 ZINC001590108249 1349157600 /nfs/dbraw/zinc/15/76/00/1349157600.db2.gz MFIRDRDWVNCBSS-CYBMUJFWSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](C(F)(F)F)O1 ZINC001590104888 1349158462 /nfs/dbraw/zinc/15/84/62/1349158462.db2.gz XEFNSFIPRULGCY-SNVBAGLBSA-N -1 1 347.366 2.470 20 0 EEADMM CC1(C)N[C@H](c2ccc(-c3nn[n-]n3)s2)N(c2ccccc2)C1=O ZINC001590115226 1349160884 /nfs/dbraw/zinc/16/08/84/1349160884.db2.gz NTLBLWNFFUBUMD-AWEZNQCLSA-N -1 1 340.412 2.342 20 0 EEADMM C[C@@H]1CC(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001590199596 1349198233 /nfs/dbraw/zinc/19/82/33/1349198233.db2.gz GIOGYPJAFUKUQB-NXEZZACHSA-N -1 1 340.387 2.034 20 0 EEADMM CC1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1 ZINC001590230078 1349214934 /nfs/dbraw/zinc/21/49/34/1349214934.db2.gz JZJNMRYSEVWJMO-UHFFFAOYSA-N -1 1 334.811 2.471 20 0 EEADMM C[C@@H]1CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)O1 ZINC001590232992 1349216362 /nfs/dbraw/zinc/21/63/62/1349216362.db2.gz XWYWQYVANRHWOG-MWLCHTKSSA-N -1 1 345.790 2.403 20 0 EEADMM C[C@@H]1OCC[C@H]1c1nnc(-c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001590337846 1349273498 /nfs/dbraw/zinc/27/34/98/1349273498.db2.gz PHUJIQGTXKWKKF-POYBYMJQSA-N -1 1 334.286 2.087 20 0 EEADMM C[C@@H]1OCC[C@H]1c1nnc(-c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001590337846 1349273500 /nfs/dbraw/zinc/27/35/00/1349273500.db2.gz PHUJIQGTXKWKKF-POYBYMJQSA-N -1 1 334.286 2.087 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590451582 1349332048 /nfs/dbraw/zinc/33/20/48/1349332048.db2.gz IXIRMMOFWOIBTA-GFCCVEGCSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590451582 1349332054 /nfs/dbraw/zinc/33/20/54/1349332054.db2.gz IXIRMMOFWOIBTA-GFCCVEGCSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@@H](OCCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001590479336 1349351597 /nfs/dbraw/zinc/35/15/97/1349351597.db2.gz VQEBCUUVCLHOHJ-CQSZACIVSA-N -1 1 325.376 2.237 20 0 EEADMM CC[C@@H](OCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001590479336 1349351603 /nfs/dbraw/zinc/35/16/03/1349351603.db2.gz VQEBCUUVCLHOHJ-CQSZACIVSA-N -1 1 325.376 2.237 20 0 EEADMM CCC[C@@H](CC)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590553896 1349368852 /nfs/dbraw/zinc/36/88/52/1349368852.db2.gz LZMWMGLCUUYXNJ-LLVKDONJSA-N -1 1 341.412 2.171 20 0 EEADMM CCC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@@H](O)c1ccccc1 ZINC001590559152 1349370702 /nfs/dbraw/zinc/37/07/02/1349370702.db2.gz KZXRSFRCWBXELQ-CJNGLKHVSA-N -1 1 339.403 2.279 20 0 EEADMM CCC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@@H](O)c1ccccc1 ZINC001590559152 1349370703 /nfs/dbraw/zinc/37/07/03/1349370703.db2.gz KZXRSFRCWBXELQ-CJNGLKHVSA-N -1 1 339.403 2.279 20 0 EEADMM CCc1nc(NC[C@H](OC)C2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC001590917924 1349412167 /nfs/dbraw/zinc/41/21/67/1349412167.db2.gz GAAABFIAONJBCA-ZDUSSCGKSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(NC[C@H](OC)C2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC001590917924 1349412172 /nfs/dbraw/zinc/41/21/72/1349412172.db2.gz GAAABFIAONJBCA-ZDUSSCGKSA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590929079 1349416313 /nfs/dbraw/zinc/41/63/13/1349416313.db2.gz OTXVCKYDRHAFEN-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590929079 1349416317 /nfs/dbraw/zinc/41/63/17/1349416317.db2.gz OTXVCKYDRHAFEN-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CN(C(=O)C[C@]1(C)CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001590978141 1349426286 /nfs/dbraw/zinc/42/62/86/1349426286.db2.gz KZOKKGKAOBPOIB-GFCCVEGCSA-N -1 1 341.202 2.199 20 0 EEADMM CN(C(=O)C[C@]1(C)CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001590978141 1349426288 /nfs/dbraw/zinc/42/62/88/1349426288.db2.gz KZOKKGKAOBPOIB-GFCCVEGCSA-N -1 1 341.202 2.199 20 0 EEADMM CN(C)c1nc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)cs1 ZINC001591034189 1349433284 /nfs/dbraw/zinc/43/32/84/1349433284.db2.gz DXRMZBRRDAOCBQ-UHFFFAOYSA-N -1 1 342.841 2.111 20 0 EEADMM CN(C)c1nc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)cs1 ZINC001591034189 1349433288 /nfs/dbraw/zinc/43/32/88/1349433288.db2.gz DXRMZBRRDAOCBQ-UHFFFAOYSA-N -1 1 342.841 2.111 20 0 EEADMM COC(=O)c1cc(C)nc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001591287872 1349456259 /nfs/dbraw/zinc/45/62/59/1349456259.db2.gz MIDKKTAFTSIKMA-UHFFFAOYSA-N -1 1 346.347 2.042 20 0 EEADMM COC(=O)c1cc(C)nc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001591287872 1349456262 /nfs/dbraw/zinc/45/62/62/1349456262.db2.gz MIDKKTAFTSIKMA-UHFFFAOYSA-N -1 1 346.347 2.042 20 0 EEADMM COc1ccccc1[C@@H](C)CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591646886 1349524791 /nfs/dbraw/zinc/52/47/91/1349524791.db2.gz WQVQIABTJHAEDW-VIFPVBQESA-N -1 1 344.400 2.464 20 0 EEADMM COc1ccccc1[C@@H](C)CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591646886 1349524795 /nfs/dbraw/zinc/52/47/95/1349524795.db2.gz WQVQIABTJHAEDW-VIFPVBQESA-N -1 1 344.400 2.464 20 0 EEADMM C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC001591729981 1349536910 /nfs/dbraw/zinc/53/69/10/1349536910.db2.gz PINLMIBXQGWWBO-SECBINFHSA-N -1 1 341.396 2.354 20 0 EEADMM Cc1cc(N2CC[C@]3(C2)OCc2ccccc23)cc(-c2nnn[n-]2)n1 ZINC001592002979 1349580284 /nfs/dbraw/zinc/58/02/84/1349580284.db2.gz AYEJZHDANARWQF-GOSISDBHSA-N -1 1 334.383 2.206 20 0 EEADMM Cc1cc(N2CC[C@]3(C2)OCc2ccccc23)cc(-c2nn[n-]n2)n1 ZINC001592002979 1349580291 /nfs/dbraw/zinc/58/02/91/1349580291.db2.gz AYEJZHDANARWQF-GOSISDBHSA-N -1 1 334.383 2.206 20 0 EEADMM Cc1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592044729 1349587449 /nfs/dbraw/zinc/58/74/49/1349587449.db2.gz RIRCOXLGKAAWBG-ONGXEEELSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cc(NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592044729 1349587452 /nfs/dbraw/zinc/58/74/52/1349587452.db2.gz RIRCOXLGKAAWBG-ONGXEEELSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cccc(C2(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)CCC2)c1 ZINC001592225156 1349612397 /nfs/dbraw/zinc/61/23/97/1349612397.db2.gz ZYJXCTNZNSTMKY-UHFFFAOYSA-N -1 1 348.410 2.308 20 0 EEADMM Cc1cccc(C2(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)CCC2)c1 ZINC001592225156 1349612399 /nfs/dbraw/zinc/61/23/99/1349612399.db2.gz ZYJXCTNZNSTMKY-UHFFFAOYSA-N -1 1 348.410 2.308 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)Nc2c(C)cccc2Cl)c1C ZINC001592232445 1349613337 /nfs/dbraw/zinc/61/33/37/1349613337.db2.gz NXIZQFJLNZWMDW-UHFFFAOYSA-N -1 1 345.794 2.281 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)Nc2c(C)cccc2Cl)c1C ZINC001592232445 1349613338 /nfs/dbraw/zinc/61/33/38/1349613338.db2.gz NXIZQFJLNZWMDW-UHFFFAOYSA-N -1 1 345.794 2.281 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3ccsc3-c3nnn[n-]3)ccc12 ZINC001592432285 1349631378 /nfs/dbraw/zinc/63/13/78/1349631378.db2.gz XQTXOHNQYLOGCS-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3ccsc3-c3nn[n-]n3)ccc12 ZINC001592432285 1349631382 /nfs/dbraw/zinc/63/13/82/1349631382.db2.gz XQTXOHNQYLOGCS-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nsc(NC(=O)Cc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001592479705 1349635888 /nfs/dbraw/zinc/63/58/88/1349635888.db2.gz PLZJGVVJKAOETD-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Cc1nsc(NC(=O)Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001592479705 1349635889 /nfs/dbraw/zinc/63/58/89/1349635889.db2.gz PLZJGVVJKAOETD-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Clc1nsc(NC2([C@@H]3CCCO3)CCC2)c1-c1nnn[n-]1 ZINC001592537314 1349651230 /nfs/dbraw/zinc/65/12/30/1349651230.db2.gz CFSXMCITUGSZHM-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(NC2([C@@H]3CCCO3)CCC2)c1-c1nn[n-]n1 ZINC001592537314 1349651232 /nfs/dbraw/zinc/65/12/32/1349651232.db2.gz CFSXMCITUGSZHM-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001592613931 1349670742 /nfs/dbraw/zinc/67/07/42/1349670742.db2.gz OUWQMSGPIKRAAV-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(-c2nnn[n-]2)o1 ZINC001593005816 1349733208 /nfs/dbraw/zinc/73/32/08/1349733208.db2.gz VSRQMAOJBOSVAZ-LLVKDONJSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(-c2nn[n-]n2)o1 ZINC001593005816 1349733213 /nfs/dbraw/zinc/73/32/13/1349733213.db2.gz VSRQMAOJBOSVAZ-LLVKDONJSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(NCCCC(F)(F)F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593066400 1349735845 /nfs/dbraw/zinc/73/58/45/1349735845.db2.gz CZQDBNVNGRRJTI-UHFFFAOYSA-N -1 1 338.293 2.420 20 0 EEADMM O=C(Nc1ccc(-c2ccon2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593211720 1349747151 /nfs/dbraw/zinc/74/71/51/1349747151.db2.gz DNMQAPDLQIBTKB-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccc(-c2ccon2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593211720 1349747156 /nfs/dbraw/zinc/74/71/56/1349747156.db2.gz DNMQAPDLQIBTKB-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593244797 1349749350 /nfs/dbraw/zinc/74/93/50/1349749350.db2.gz BTVOKPTXFGYHOY-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593244797 1349749353 /nfs/dbraw/zinc/74/93/53/1349749353.db2.gz BTVOKPTXFGYHOY-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Cl)c2occc21 ZINC001593259499 1349754094 /nfs/dbraw/zinc/75/40/94/1349754094.db2.gz BCCFIGUWXXHRDC-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCSC1 ZINC001593263057 1349755300 /nfs/dbraw/zinc/75/53/00/1349755300.db2.gz AUYJTCAILPPIQV-RXMQYKEDSA-N -1 1 330.826 2.058 20 0 EEADMM O=C(O[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001593281002 1349760704 /nfs/dbraw/zinc/76/07/04/1349760704.db2.gz SKNKXBKMOFDRSU-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@H]1CCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001593281002 1349760706 /nfs/dbraw/zinc/76/07/06/1349760706.db2.gz SKNKXBKMOFDRSU-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(OCc1cc(F)ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001593295358 1349770313 /nfs/dbraw/zinc/77/03/13/1349770313.db2.gz MMJMKVSVAGYAKN-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cc(F)ccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001593295358 1349770317 /nfs/dbraw/zinc/77/03/17/1349770317.db2.gz MMJMKVSVAGYAKN-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593301360 1349773778 /nfs/dbraw/zinc/77/37/78/1349773778.db2.gz XRJNLXFQJHQIDA-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCCC(F)(F)CC1 ZINC001593349713 1349788500 /nfs/dbraw/zinc/78/85/00/1349788500.db2.gz CQWGCHUUVYBVRB-UHFFFAOYSA-N -1 1 325.294 2.267 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCCC(F)(F)CC1 ZINC001593349713 1349788502 /nfs/dbraw/zinc/78/85/02/1349788502.db2.gz CQWGCHUUVYBVRB-UHFFFAOYSA-N -1 1 325.294 2.267 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2ccccn2)C1 ZINC001593349898 1349788710 /nfs/dbraw/zinc/78/87/10/1349788710.db2.gz IWRZNBRKMBYHRV-NSHDSACASA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2ccccn2)C1 ZINC001593349898 1349788718 /nfs/dbraw/zinc/78/87/18/1349788718.db2.gz IWRZNBRKMBYHRV-NSHDSACASA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC2(CC2(F)F)CC1 ZINC001593362586 1349790641 /nfs/dbraw/zinc/79/06/41/1349790641.db2.gz VPGMSGZLYHYKKM-UHFFFAOYSA-N -1 1 325.344 2.190 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC2(CC2(F)F)CC1 ZINC001593362586 1349790643 /nfs/dbraw/zinc/79/06/43/1349790643.db2.gz VPGMSGZLYHYKKM-UHFFFAOYSA-N -1 1 325.344 2.190 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC(c2ccc(F)cc2)C1 ZINC001593360760 1349791143 /nfs/dbraw/zinc/79/11/43/1349791143.db2.gz FWSXFMJRLWWHLW-UHFFFAOYSA-N -1 1 329.360 2.307 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC(c2ccc(F)cc2)C1 ZINC001593360760 1349791147 /nfs/dbraw/zinc/79/11/47/1349791147.db2.gz FWSXFMJRLWWHLW-UHFFFAOYSA-N -1 1 329.360 2.307 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(c2cccnc2)C1 ZINC001593371963 1349792621 /nfs/dbraw/zinc/79/26/21/1349792621.db2.gz XQQKZPYZGRKDHR-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM O=S(=O)(Oc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593448723 1349800853 /nfs/dbraw/zinc/80/08/53/1349800853.db2.gz ZMNZEFZZNXRSRM-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O[C@@H](CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC001593507776 1349823442 /nfs/dbraw/zinc/82/34/42/1349823442.db2.gz UZWZVCZVYCFBME-INIZCTEOSA-N -1 1 338.371 2.237 20 0 EEADMM O[C@@H](CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC001593507776 1349823445 /nfs/dbraw/zinc/82/34/45/1349823445.db2.gz UZWZVCZVYCFBME-INIZCTEOSA-N -1 1 338.371 2.237 20 0 EEADMM c1sc(CNc2cccc(-c3nnn[n-]3)n2)nc1-c1ccccn1 ZINC001593567870 1349853780 /nfs/dbraw/zinc/85/37/80/1349853780.db2.gz XKWUYAKCHDVEGW-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1sc(CNc2cccc(-c3nn[n-]n3)n2)nc1-c1ccccn1 ZINC001593567870 1349853784 /nfs/dbraw/zinc/85/37/84/1349853784.db2.gz XKWUYAKCHDVEGW-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1ccc(C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)c2ccccn2)cc1 ZINC001593573085 1349856947 /nfs/dbraw/zinc/85/69/47/1349856947.db2.gz KRSWUPMJDPOQDR-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)c2ccccn2)cc1 ZINC001593573085 1349856951 /nfs/dbraw/zinc/85/69/51/1349856951.db2.gz KRSWUPMJDPOQDR-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593573126 1349857247 /nfs/dbraw/zinc/85/72/47/1349857247.db2.gz MFYZDMOJJXHPIL-PBHICJAKSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593573126 1349857251 /nfs/dbraw/zinc/85/72/51/1349857251.db2.gz MFYZDMOJJXHPIL-PBHICJAKSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc(Oc2cc(CNc3ncncc3-c3nn[n-]n3)ccn2)cc1 ZINC001593576532 1349859528 /nfs/dbraw/zinc/85/95/28/1349859528.db2.gz HTBCTMPZXBQFBD-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(N[C@H]2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001593576722 1349859583 /nfs/dbraw/zinc/85/95/83/1349859583.db2.gz IOZNYVBRALUGNH-JOCQHMNTSA-N -1 1 336.403 2.492 20 0 EEADMM c1ncc(N2CCC(OCC3CCCCC3)CC2)nc1-c1nnn[n-]1 ZINC001593593363 1349869231 /nfs/dbraw/zinc/86/92/31/1349869231.db2.gz OLRZCDDGSWAOIP-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM c1ncc(N2CCC(OCC3CCCCC3)CC2)nc1-c1nn[n-]n1 ZINC001593593363 1349869235 /nfs/dbraw/zinc/86/92/35/1349869235.db2.gz OLRZCDDGSWAOIP-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727250 1349941836 /nfs/dbraw/zinc/94/18/36/1349941836.db2.gz PRNKSQQLKDKYSS-SGTLLEGYSA-N -1 1 344.367 2.251 20 0 EEADMM COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727250 1349941839 /nfs/dbraw/zinc/94/18/39/1349941839.db2.gz PRNKSQQLKDKYSS-SGTLLEGYSA-N -1 1 344.367 2.251 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H]2CCN(c3ccccc3F)C2=O)n1C ZINC001599995003 1349951647 /nfs/dbraw/zinc/95/16/47/1349951647.db2.gz WCKRGTIVFATZPZ-HNNXBMFYSA-N -1 1 345.374 2.066 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3nc[nH]c3C23CCC3)c1 ZINC001600108141 1349972666 /nfs/dbraw/zinc/97/26/66/1349972666.db2.gz MTMSZRXMYCCUIW-UHFFFAOYSA-N -1 1 325.368 2.494 20 0 EEADMM Cc1cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)ccc1C(=O)[O-] ZINC001600196163 1349990598 /nfs/dbraw/zinc/99/05/98/1349990598.db2.gz UAAFFWZAUQNCGE-CQSZACIVSA-N -1 1 325.430 2.092 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001600359133 1350029760 /nfs/dbraw/zinc/02/97/60/1350029760.db2.gz UJSCHXRIYKNRPK-UKRRQHHQSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1 ZINC001600447685 1350053934 /nfs/dbraw/zinc/05/39/34/1350053934.db2.gz SDZAXUITVIMOSY-BHYGNILZSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1ccc2c(CC(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)coc2c1 ZINC001600491085 1350064580 /nfs/dbraw/zinc/06/45/80/1350064580.db2.gz RIGNGRJIVWYGQG-CQSZACIVSA-N -1 1 344.411 2.291 20 0 EEADMM Cc1csc2nc(CN3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc(=O)n12 ZINC001600665555 1350113111 /nfs/dbraw/zinc/11/31/11/1350113111.db2.gz YVZMICIOGGJQRA-HZSPNIEDSA-N -1 1 347.440 2.140 20 0 EEADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C[C@@](C)(O)C(=O)[O-] ZINC001600784014 1350136372 /nfs/dbraw/zinc/13/63/72/1350136372.db2.gz BYNGIZDZYXNCPK-MLGOLLRUSA-N -1 1 343.855 2.473 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(CCCO)Cc1ccccc1 ZINC001600785054 1350136459 /nfs/dbraw/zinc/13/64/59/1350136459.db2.gz VWQOFNDPESLKHB-UHFFFAOYSA-N -1 1 345.443 2.359 20 0 EEADMM Cc1oc(CN(C)C[C@@H](O)C[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC001600842357 1350149666 /nfs/dbraw/zinc/14/96/66/1350149666.db2.gz LGAFCHYRFIIWCI-WMLDXEAASA-N -1 1 333.384 2.203 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001600904968 1350164488 /nfs/dbraw/zinc/16/44/88/1350164488.db2.gz RUDOIJZWAKBBRC-HNNXBMFYSA-N -1 1 341.411 2.118 20 0 EEADMM Cn1ncc2cc(CN3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)cnc21 ZINC001601033017 1350194763 /nfs/dbraw/zinc/19/47/63/1350194763.db2.gz VHPQEZLGUYLJSF-NEPJUHHUSA-N -1 1 342.321 2.053 20 0 EEADMM N[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001601204964 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/nfs/dbraw/zinc/94/49/60/1350944960.db2.gz SCXSBUIOCSNMBH-UHFFFAOYSA-N -1 1 339.315 2.279 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN([C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC001604494934 1350949405 /nfs/dbraw/zinc/94/94/05/1350949405.db2.gz SLURPUXLNJINGY-YJBOKZPZSA-N -1 1 334.391 2.332 20 0 EEADMM CCc1nc(NC[C@@H](O)c2ccc(Cl)cc2)cc(-c2nnn[n-]2)n1 ZINC001604568288 1350962105 /nfs/dbraw/zinc/96/21/05/1350962105.db2.gz RVNRGXMJXHSNAF-GFCCVEGCSA-N -1 1 345.794 2.018 20 0 EEADMM CCc1nc(NC[C@@H](O)c2ccc(Cl)cc2)cc(-c2nn[n-]n2)n1 ZINC001604568288 1350962108 /nfs/dbraw/zinc/96/21/08/1350962108.db2.gz RVNRGXMJXHSNAF-GFCCVEGCSA-N -1 1 345.794 2.018 20 0 EEADMM C[N@@H+](CC(=O)Nc1ccccc1F)Cc1cccc(-c2nn[nH]n2)c1 ZINC001604711852 1350989508 /nfs/dbraw/zinc/98/95/08/1350989508.db2.gz DOPMVRGUQCJCMK-UHFFFAOYSA-N -1 1 340.362 2.076 20 0 EEADMM CN(CC1CCC1)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604729020 1350992987 /nfs/dbraw/zinc/99/29/87/1350992987.db2.gz LIQXZFITPMHKOX-UHFFFAOYSA-N -1 1 340.309 2.153 20 0 EEADMM C[C@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)[C@@H](C(N)=O)C1 ZINC001604757509 1350998212 /nfs/dbraw/zinc/99/82/12/1350998212.db2.gz SYPCHOOTUQYFGU-XHDPSFHLSA-N -1 1 327.384 2.019 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)c1ncncc1-c1nn[n-]n1 ZINC001604815543 1351014615 /nfs/dbraw/zinc/01/46/15/1351014615.db2.gz IYXKZEDPHUFFFB-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM COC(=O)Cc1ccccc1CSc1cccnc1-c1nnn[n-]1 ZINC001604946670 1351036931 /nfs/dbraw/zinc/03/69/31/1351036931.db2.gz LVMJMTQNRYEGOJ-UHFFFAOYSA-N -1 1 341.396 2.270 20 0 EEADMM COC(=O)Cc1ccccc1CSc1cccnc1-c1nn[n-]n1 ZINC001604946670 1351036935 /nfs/dbraw/zinc/03/69/35/1351036935.db2.gz LVMJMTQNRYEGOJ-UHFFFAOYSA-N -1 1 341.396 2.270 20 0 EEADMM CO[C@@]1(C)CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)C1 ZINC001605015905 1351056214 /nfs/dbraw/zinc/05/62/14/1351056214.db2.gz QYKTVUARQYXCEV-ZDUSSCGKSA-N -1 1 342.325 2.286 20 0 EEADMM CO[C@@]1(C)CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)C1 ZINC001605015905 1351056219 /nfs/dbraw/zinc/05/62/19/1351056219.db2.gz QYKTVUARQYXCEV-ZDUSSCGKSA-N -1 1 342.325 2.286 20 0 EEADMM COCCCCN(Cc1ccccc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001605088633 1351075937 /nfs/dbraw/zinc/07/59/37/1351075937.db2.gz OXKBDBOUYLUFJO-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM COCCCCN(Cc1ccccc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001605088633 1351075940 /nfs/dbraw/zinc/07/59/40/1351075940.db2.gz OXKBDBOUYLUFJO-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM COCCN(Cc1cccs1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001605103667 1351078554 /nfs/dbraw/zinc/07/85/54/1351078554.db2.gz ZFWGNJKRQOPVJP-UHFFFAOYSA-N -1 1 349.441 2.279 20 0 EEADMM COCCN(Cc1cccs1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001605103667 1351078557 /nfs/dbraw/zinc/07/85/57/1351078557.db2.gz ZFWGNJKRQOPVJP-UHFFFAOYSA-N -1 1 349.441 2.279 20 0 EEADMM COc1c(F)cc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1F ZINC001605156513 1351089871 /nfs/dbraw/zinc/08/98/71/1351089871.db2.gz CWKXRIDBHKWMBD-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM CCC1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC001605171431 1351094780 /nfs/dbraw/zinc/09/47/80/1351094780.db2.gz KURGNCBDFNBYBX-QGZVFWFLSA-N -1 1 330.428 2.147 20 0 EEADMM COc1cccc2c1nc(NCc1csc(-c3nn[n-]n3)c1)n2C ZINC001605324738 1351137090 /nfs/dbraw/zinc/13/70/90/1351137090.db2.gz ANQOKWCBJPQLHJ-UHFFFAOYSA-N -1 1 341.400 2.436 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Oc2ccccc2F)cc1-c1nn[n-]n1 ZINC001605380185 1351148978 /nfs/dbraw/zinc/14/89/78/1351148978.db2.gz CZISOTOAFXMXSN-UHFFFAOYSA-N -1 1 347.331 2.048 20 0 EEADMM CSc1ccccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001605389990 1351151727 /nfs/dbraw/zinc/15/17/27/1351151727.db2.gz OSUOXGNXSRJXNX-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM CSc1ccccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001605389990 1351151730 /nfs/dbraw/zinc/15/17/30/1351151730.db2.gz OSUOXGNXSRJXNX-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM CCN(C(=O)CN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001605396323 1351153589 /nfs/dbraw/zinc/15/35/89/1351153589.db2.gz SMNRKPYFVGIPRB-MXASKKJJSA-N -1 1 346.427 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cncc(C(C)C)c1 ZINC001605511087 1351175152 /nfs/dbraw/zinc/17/51/52/1351175152.db2.gz VZWNXQGUKRQIAT-UHFFFAOYSA-N -1 1 339.359 2.046 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](C)Oc2ccccc2Cl)n1 ZINC001605575364 1351192645 /nfs/dbraw/zinc/19/26/45/1351192645.db2.gz NBODXSFLRCGAIL-JTQLQIEISA-N -1 1 345.794 2.498 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](C)Oc2ccccc2Cl)n1 ZINC001605575364 1351192651 /nfs/dbraw/zinc/19/26/51/1351192651.db2.gz NBODXSFLRCGAIL-JTQLQIEISA-N -1 1 345.794 2.498 20 0 EEADMM Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605644918 1351209039 /nfs/dbraw/zinc/20/90/39/1351209039.db2.gz SFQQCXCYJGNZMT-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1cc(C)c2c(c1)N(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605644918 1351209045 /nfs/dbraw/zinc/20/90/45/1351209045.db2.gz SFQQCXCYJGNZMT-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1cc(CSc2c3ccccc3nnc2-c2nn[n-]n2)no1 ZINC001605667394 1351213761 /nfs/dbraw/zinc/21/37/61/1351213761.db2.gz QOOBXCQEEJOQPO-UHFFFAOYSA-N -1 1 325.357 2.399 20 0 EEADMM CC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001605748149 1351221226 /nfs/dbraw/zinc/22/12/26/1351221226.db2.gz NSLPFPKIFXEWPE-GOEBONIOSA-N -1 1 333.432 2.328 20 0 EEADMM Cc1ccc(C)c(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001605827707 1351230183 /nfs/dbraw/zinc/23/01/83/1351230183.db2.gz SMSPDEMGZCXYRS-UHFFFAOYSA-N -1 1 349.394 2.017 20 0 EEADMM Cc1ccc(CN(C)C(=O)NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001605843131 1351233710 /nfs/dbraw/zinc/23/37/10/1351233710.db2.gz MRTCTOZVLNCWMB-UHFFFAOYSA-N -1 1 332.389 2.171 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCCc2ccc(C)cc2)nn1C ZINC001605844286 1351234376 /nfs/dbraw/zinc/23/43/76/1351234376.db2.gz XZQZNDIWHITSTL-UHFFFAOYSA-N -1 1 339.403 2.178 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCCc2ccc(C)cc2)nn1C ZINC001605844286 1351234379 /nfs/dbraw/zinc/23/43/79/1351234379.db2.gz XZQZNDIWHITSTL-UHFFFAOYSA-N -1 1 339.403 2.178 20 0 EEADMM Cc1ccc(N2CC[C@H](Cc3nccs3)C2)nc1-c1nnn[n-]1 ZINC001605864590 1351240703 /nfs/dbraw/zinc/24/07/03/1351240703.db2.gz IYZLRRKQSZNTDQ-LLVKDONJSA-N -1 1 327.417 2.096 20 0 EEADMM Cc1ccc(N2CC[C@H](Cc3nccs3)C2)nc1-c1nn[n-]n1 ZINC001605864590 1351240704 /nfs/dbraw/zinc/24/07/04/1351240704.db2.gz IYZLRRKQSZNTDQ-LLVKDONJSA-N -1 1 327.417 2.096 20 0 EEADMM Cc1cccc(NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001605919808 1351253498 /nfs/dbraw/zinc/25/34/98/1351253498.db2.gz QOXBZJFMSYVHIB-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cccc(NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001605919808 1351253502 /nfs/dbraw/zinc/25/35/02/1351253502.db2.gz QOXBZJFMSYVHIB-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccsc1 ZINC001606012161 1351263864 /nfs/dbraw/zinc/26/38/64/1351263864.db2.gz MPNYJSORHNLGSY-GFCCVEGCSA-N -1 1 334.401 2.266 20 0 EEADMM COC(=O)CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC001606449706 1351303679 /nfs/dbraw/zinc/30/36/79/1351303679.db2.gz ZHAVMFDYDROPKF-JTQLQIEISA-N -1 1 339.348 2.109 20 0 EEADMM COC(=O)c1cnc([C@@H]2CCN(Cc3cc(C(=O)[O-])co3)C2)s1 ZINC001606625577 1351333911 /nfs/dbraw/zinc/33/39/11/1351333911.db2.gz YLZVWZAZKREULC-SECBINFHSA-N -1 1 336.369 2.210 20 0 EEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606670029 1351340287 /nfs/dbraw/zinc/34/02/87/1351340287.db2.gz ILXFWSBQMINPPN-LLVKDONJSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606670029 1351340292 /nfs/dbraw/zinc/34/02/92/1351340292.db2.gz ILXFWSBQMINPPN-LLVKDONJSA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606682768 1351341561 /nfs/dbraw/zinc/34/15/61/1351341561.db2.gz HFEDNXQLMUVZMV-SNVBAGLBSA-N -1 1 345.746 2.367 20 0 EEADMM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606682768 1351341565 /nfs/dbraw/zinc/34/15/65/1351341565.db2.gz HFEDNXQLMUVZMV-SNVBAGLBSA-N -1 1 345.746 2.367 20 0 EEADMM O=C(NCc1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)o1 ZINC001606814196 1351359636 /nfs/dbraw/zinc/35/96/36/1351359636.db2.gz CBGCPRYWGHNQMK-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(NCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)o1 ZINC001606814196 1351359638 /nfs/dbraw/zinc/35/96/38/1351359638.db2.gz CBGCPRYWGHNQMK-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(NCc1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606832611 1351364127 /nfs/dbraw/zinc/36/41/27/1351364127.db2.gz MTWCGXCTOQAALA-UHFFFAOYSA-N -1 1 329.751 2.237 20 0 EEADMM O=C(NCc1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606832611 1351364129 /nfs/dbraw/zinc/36/41/29/1351364129.db2.gz MTWCGXCTOQAALA-UHFFFAOYSA-N -1 1 329.751 2.237 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606934485 1351380088 /nfs/dbraw/zinc/38/00/88/1351380088.db2.gz ALSNHMAYIUCHKA-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606934485 1351380091 /nfs/dbraw/zinc/38/00/91/1351380091.db2.gz ALSNHMAYIUCHKA-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1cccc(OCc2nc(-c3nnn[n-]3)cs2)c1)C1CC1 ZINC001606938984 1351380288 /nfs/dbraw/zinc/38/02/88/1351380288.db2.gz NWPSPHBCPCFUDK-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(Nc1cccc(OCc2nc(-c3nn[n-]n3)cs2)c1)C1CC1 ZINC001606938984 1351380290 /nfs/dbraw/zinc/38/02/90/1351380290.db2.gz NWPSPHBCPCFUDK-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(O[C@H](c1ccccn1)C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001606963449 1351385774 /nfs/dbraw/zinc/38/57/74/1351385774.db2.gz XFGLFCUAQRFZPB-SNVBAGLBSA-N -1 1 339.233 2.315 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cnc2ccsc2c1 ZINC001606982469 1351391854 /nfs/dbraw/zinc/39/18/54/1351391854.db2.gz OPLJJMZHRSQRKI-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cnc2ccsc2c1 ZINC001606982469 1351391856 /nfs/dbraw/zinc/39/18/56/1351391856.db2.gz OPLJJMZHRSQRKI-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM COc1c(C)cc(CN(C)[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1C ZINC001607014621 1351397529 /nfs/dbraw/zinc/39/75/29/1351397529.db2.gz XLCDETHZWXBLIZ-INIZCTEOSA-N -1 1 348.443 2.210 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC001607133293 1351434597 /nfs/dbraw/zinc/43/45/97/1351434597.db2.gz BMQUDXIQYBXWKE-NSHDSACASA-N -1 1 332.433 2.118 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC001607133293 1351434599 /nfs/dbraw/zinc/43/45/99/1351434599.db2.gz BMQUDXIQYBXWKE-NSHDSACASA-N -1 1 332.433 2.118 20 0 EEADMM COc1cc(CN2CCSC[C@H](C(=O)[O-])C2)c(Cl)cc1O ZINC001607157300 1351439616 /nfs/dbraw/zinc/43/96/16/1351439616.db2.gz CYOLXRFXNQXAGR-SNVBAGLBSA-N -1 1 331.821 2.304 20 0 EEADMM COc1cc(C)c(CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1OC ZINC001607148581 1351437848 /nfs/dbraw/zinc/43/78/48/1351437848.db2.gz JISZATNNLQOHIL-UHFFFAOYSA-N -1 1 331.372 2.033 20 0 EEADMM COc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc(OC)c1O ZINC001607158010 1351440460 /nfs/dbraw/zinc/44/04/60/1351440460.db2.gz WLTLLQZVBGJCDV-AWEZNQCLSA-N -1 1 349.305 2.248 20 0 EEADMM COc1ccc([C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C(=O)[O-])cc1 ZINC001607226591 1351453393 /nfs/dbraw/zinc/45/33/93/1351453393.db2.gz KYXLMCVCNDOZQK-GTTSAUCSSA-N -1 1 343.383 2.026 20 0 EEADMM COc1ccc(C[C@H]2CCCCN2Cn2cc(C(=O)[O-])nn2)cc1 ZINC001607247017 1351458132 /nfs/dbraw/zinc/45/81/32/1351458132.db2.gz NOBQRZCGWQYSKT-CQSZACIVSA-N -1 1 330.388 2.040 20 0 EEADMM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2[nH]nc(C)c2C)c1 ZINC001607311535 1351470634 /nfs/dbraw/zinc/47/06/34/1351470634.db2.gz CAUBIQBIGXTOSF-KRWDZBQOSA-N -1 1 331.372 2.155 20 0 EEADMM COc1ccccc1-c1nc(CN[C@H]2CCO[C@H]2C(=O)[O-])cs1 ZINC001607335545 1351477045 /nfs/dbraw/zinc/47/70/45/1351477045.db2.gz IDEFJFJQNYIRDH-GXTWGEPZSA-N -1 1 334.397 2.150 20 0 EEADMM COc1ccccc1N1CC[C@@H](N(C)C2(C(=O)[O-])CCCC2)C1=O ZINC001607346105 1351479212 /nfs/dbraw/zinc/47/92/12/1351479212.db2.gz KRTZIGSYKBIMKA-CQSZACIVSA-N -1 1 332.400 2.130 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001607459547 1351497323 /nfs/dbraw/zinc/49/73/23/1351497323.db2.gz FGHOWWCWCBACQM-AUTRQRHGSA-N -1 1 342.848 2.444 20 0 EEADMM Cc1cc(CCC(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)n[nH]1 ZINC001607638535 1351530865 /nfs/dbraw/zinc/53/08/65/1351530865.db2.gz SDOKITKAJMDKFA-UHFFFAOYSA-N -1 1 345.355 2.149 20 0 EEADMM Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001607688534 1351540206 /nfs/dbraw/zinc/54/02/06/1351540206.db2.gz WFBCXBDSSYOEBO-OKILXGFUSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3nonc32)cc1C(=O)[O-] ZINC001607821786 1351565407 /nfs/dbraw/zinc/56/54/07/1351565407.db2.gz BGNGJSHBZVNYHB-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC(Oc3ncc(C)cn3)CC2)n1C ZINC001607910842 1351584204 /nfs/dbraw/zinc/58/42/04/1351584204.db2.gz SAKKROLCBPCPFQ-UHFFFAOYSA-N -1 1 344.415 2.174 20 0 EEADMM Cc1nc(-c2ccc([C@H](C)N[C@H](C)C(=O)NCC(=O)[O-])cc2)cs1 ZINC001607940519 1351589959 /nfs/dbraw/zinc/58/99/59/1351589959.db2.gz DBMCKVWQBPXVIC-WDEREUQCSA-N -1 1 347.440 2.358 20 0 EEADMM Cc1n[nH]c(=O)c(CN[C@@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001608018511 1351608086 /nfs/dbraw/zinc/60/80/86/1351608086.db2.gz IILKQWUBURSVOF-LBPRGKRZSA-N -1 1 331.372 2.113 20 0 EEADMM Cn1cc(C2=CCCN(CCOc3cccc(C(=O)[O-])c3)C2)cn1 ZINC001608106744 1351626492 /nfs/dbraw/zinc/62/64/92/1351626492.db2.gz GUSAFJOSXUWINC-UHFFFAOYSA-N -1 1 327.384 2.286 20 0 EEADMM O=C(C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)[N-]OCc1ccccc1 ZINC001608328772 1351671204 /nfs/dbraw/zinc/67/12/04/1351671204.db2.gz ZJYSTINLERFBBA-IKGGRYGDSA-N -1 1 346.427 2.200 20 0 EEADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc([O-])cn2)o1 ZINC001628348751 1352530915 /nfs/dbraw/zinc/53/09/15/1352530915.db2.gz YFGYYXOYEBUQTF-MRXNPFEDSA-N -1 1 336.351 2.418 20 0 EEADMM COc1ccc2c(c1)nc(CNC(=O)c1ccc(F)c([O-])c1)n2C ZINC001633463651 1352610659 /nfs/dbraw/zinc/61/06/59/1352610659.db2.gz RXDPMQGRPXQQQK-UHFFFAOYSA-N -1 1 329.331 2.357 20 0 EEADMM CN(C)c1ncn(-c2cccc(NC(=O)c3ccc(F)c([O-])c3)c2)n1 ZINC001633633395 1352615204 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EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](F)c1ccccc1 ZINC001387179266 1386553953 /nfs/dbraw/zinc/55/39/53/1386553953.db2.gz IUXFMNUSTZSTQE-HNNXBMFYSA-N -1 1 345.374 2.076 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])o1 ZINC001387439432 1386735258 /nfs/dbraw/zinc/73/52/58/1386735258.db2.gz AECDUOHCFRGECM-DGCLKSJQSA-N -1 1 345.399 2.117 20 0 EEADMM C[C@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccs1 ZINC001391814030 1389624531 /nfs/dbraw/zinc/62/45/31/1389624531.db2.gz WDDXWYIETILEIR-MEDUHNTESA-N -1 1 349.460 2.040 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)CC(C)(C)C ZINC001394876890 1390763911 /nfs/dbraw/zinc/76/39/11/1390763911.db2.gz SRJAXQRNMFLOEM-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](C)c1cccs1 ZINC001398091998 1391687971 /nfs/dbraw/zinc/68/79/71/1391687971.db2.gz ZYCGAJFALXIRHS-GFCCVEGCSA-N -1 1 347.440 2.231 20 0 EEADMM CCN(CCNC(=O)c1cc(C)cc(C)c1)C(=O)c1ncccc1[O-] ZINC001398144700 1391744706 /nfs/dbraw/zinc/74/47/06/1391744706.db2.gz QIUZDOSMTUEHKD-UHFFFAOYSA-N -1 1 341.411 2.296 20 0 EEADMM CC(C)C[C@@H](CNC(=O)[C@@H](C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001399473306 1395135082 /nfs/dbraw/zinc/13/50/82/1395135082.db2.gz MAAGBJYWITZJBG-ZFWWWQNUSA-N -1 1 347.459 2.484 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)C(C)(C)C ZINC001399547613 1395231980 /nfs/dbraw/zinc/23/19/80/1395231980.db2.gz MUUDJHWTMAPWLG-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC[C@@H](CNCc1nnc(C)s1)NC(=O)c1ncccc1[O-] ZINC001403286363 1399735449 /nfs/dbraw/zinc/73/54/49/1399735449.db2.gz YYKXZDOALAIYNP-LBPRGKRZSA-N -1 1 349.460 2.026 20 0 EEADMM CCCC[C@@H](CN[C@H](C)c1ncccn1)NC(=O)c1ncccc1[O-] ZINC001422688872 1400126724 /nfs/dbraw/zinc/12/67/24/1400126724.db2.gz XVAUBTFFJUMSHR-KGLIPLIRSA-N -1 1 343.431 2.217 20 0 EEADMM CCc1ccc(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cc1 ZINC001423620057 1400701226 /nfs/dbraw/zinc/70/12/26/1400701226.db2.gz XYQPDHKYDVZOFD-CQSZACIVSA-N -1 1 345.447 2.007 20 0 EEADMM CC(C)c1occc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001424171586 1400947236 /nfs/dbraw/zinc/94/72/36/1400947236.db2.gz FROWTPFMMQVLJN-LBPRGKRZSA-N -1 1 345.399 2.394 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CC1CCCCC1 ZINC001426614724 1402118558 /nfs/dbraw/zinc/11/85/58/1402118558.db2.gz GQRQWCHRUMTPHG-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCC[C@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428600281 1402764162 /nfs/dbraw/zinc/76/41/62/1402764162.db2.gz PCKAEOXQPRDVQO-ZIAGYGMSSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CC(C)(C)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001432478563 1403245213 /nfs/dbraw/zinc/24/52/13/1403245213.db2.gz BNLVSZBLLAAZQG-UHFFFAOYSA-N -1 1 333.432 2.048 20 0 EEADMM CCC(CC)(NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1nn[n-]n1 ZINC001433969852 1403451901 /nfs/dbraw/zinc/45/19/01/1403451901.db2.gz WBWWGSCXKFHQPB-YOEHRIQHSA-N -1 1 325.416 2.235 20 0 EEADMM Cn1cc([C@@H](NC(=O)c2ccc3ccccc3c2[O-])c2ncon2)cn1 ZINC001569721193 1403508427 /nfs/dbraw/zinc/50/84/27/1403508427.db2.gz BREBZCWVWOTECZ-OAHLLOKOSA-N -1 1 349.350 2.181 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)Cc2ccccc2O1 ZINC001576361634 1403568373 /nfs/dbraw/zinc/56/83/73/1403568373.db2.gz WIYMOJQROZTAAB-SNVBAGLBSA-N -1 1 328.401 2.106 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)Cc2ccccc2O1 ZINC001576361634 1403568377 /nfs/dbraw/zinc/56/83/77/1403568377.db2.gz WIYMOJQROZTAAB-SNVBAGLBSA-N -1 1 328.401 2.106 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC001576696693 1403598094 /nfs/dbraw/zinc/59/80/94/1403598094.db2.gz OPKKDNPXSWUJKT-LLVKDONJSA-N -1 1 325.376 2.123 20 0 EEADMM CC[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC001576696693 1403598099 /nfs/dbraw/zinc/59/80/99/1403598099.db2.gz OPKKDNPXSWUJKT-LLVKDONJSA-N -1 1 325.376 2.123 20 0 EEADMM CCCCC(=O)NCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577421411 1403650462 /nfs/dbraw/zinc/65/04/62/1403650462.db2.gz MOERVKKGBKXENN-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CCCNc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001577687221 1403669217 /nfs/dbraw/zinc/66/92/17/1403669217.db2.gz XPKJIUFJXPBPEZ-UHFFFAOYSA-N -1 1 337.387 2.265 20 0 EEADMM CCCNc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001577687221 1403669224 /nfs/dbraw/zinc/66/92/24/1403669224.db2.gz XPKJIUFJXPBPEZ-UHFFFAOYSA-N -1 1 337.387 2.265 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2Cc3c(cc(C)cc3F)N2)n1 ZINC001578062811 1403715929 /nfs/dbraw/zinc/71/59/29/1403715929.db2.gz FFWUBOTYISKVIQ-LBPRGKRZSA-N -1 1 332.335 2.009 20 0 EEADMM CCOc1ncccc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001578408939 1403748782 /nfs/dbraw/zinc/74/87/82/1403748782.db2.gz ZTSWSBAARSVJIW-UHFFFAOYSA-N -1 1 346.297 2.191 20 0 EEADMM CCOc1ncccc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001578408939 1403748790 /nfs/dbraw/zinc/74/87/90/1403748790.db2.gz ZTSWSBAARSVJIW-UHFFFAOYSA-N -1 1 346.297 2.191 20 0 EEADMM COC(=O)c1ccc(NC[C@@H]2C[C@@H]2C2CCCC2)c(-c2nnn[n-]2)n1 ZINC001579483636 1403784524 /nfs/dbraw/zinc/78/45/24/1403784524.db2.gz IGUSAYVTTANVRI-NWDGAFQWSA-N -1 1 342.403 2.287 20 0 EEADMM COC(=O)c1ccc(NC[C@@H]2C[C@@H]2C2CCCC2)c(-c2nn[n-]n2)n1 ZINC001579483636 1403784531 /nfs/dbraw/zinc/78/45/31/1403784531.db2.gz IGUSAYVTTANVRI-NWDGAFQWSA-N -1 1 342.403 2.287 20 0 EEADMM CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001580204030 1403846339 /nfs/dbraw/zinc/84/63/39/1403846339.db2.gz GDIHAFKEPHXKQR-BDAKNGLRSA-N -1 1 338.462 2.012 20 0 EEADMM Cc1ccc(F)cc1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001581206031 1403877999 /nfs/dbraw/zinc/87/79/99/1403877999.db2.gz YNHLFXGOCCSLPK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)cc1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001581206031 1403878007 /nfs/dbraw/zinc/87/80/07/1403878007.db2.gz YNHLFXGOCCSLPK-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c2oc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)cc21 ZINC001581204855 1403878426 /nfs/dbraw/zinc/87/84/26/1403878426.db2.gz LORQLUDFCWRNFU-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM CCC[C@@H](C)CCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590550771 1403886555 /nfs/dbraw/zinc/88/65/55/1403886555.db2.gz ZKYOCNRECUKLHB-LLVKDONJSA-N -1 1 333.392 2.031 20 0 EEADMM COCC1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001591388571 1403908022 /nfs/dbraw/zinc/90/80/22/1403908022.db2.gz DYZMPJHFUJPNOK-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM COCC1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001591388571 1403908027 /nfs/dbraw/zinc/90/80/27/1403908027.db2.gz DYZMPJHFUJPNOK-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM CSCCCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001591698942 1403939869 /nfs/dbraw/zinc/93/98/69/1403939869.db2.gz CXGISXDSVOWMFG-UHFFFAOYSA-N -1 1 326.451 2.128 20 0 EEADMM CSCCCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591698942 1403939874 /nfs/dbraw/zinc/93/98/74/1403939874.db2.gz CXGISXDSVOWMFG-UHFFFAOYSA-N -1 1 326.451 2.128 20 0 EEADMM Cc1cc(F)c(CNC(=O)c2csc(-c3nn[n-]n3)c2)c(F)c1 ZINC001591987695 1403981102 /nfs/dbraw/zinc/98/11/02/1403981102.db2.gz FMOVGZKXRRGARO-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1ccc(C(C)C)c(OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592134723 1404003858 /nfs/dbraw/zinc/00/38/58/1404003858.db2.gz IZTZFIRXMRPIRH-NSHDSACASA-N -1 1 341.375 2.057 20 0 EEADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593028861 1404734305 /nfs/dbraw/zinc/73/43/05/1404734305.db2.gz SLJDTFMANHVCJV-VXGBXAGGSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593028861 1404734308 /nfs/dbraw/zinc/73/43/08/1404734308.db2.gz SLJDTFMANHVCJV-VXGBXAGGSA-N -1 1 327.392 2.210 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC001606166173 1404771444 /nfs/dbraw/zinc/77/14/44/1404771444.db2.gz PELPUWCCXXCATJ-UHFFFAOYSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC(C2CCOCC2)CC1 ZINC001606166173 1404771447 /nfs/dbraw/zinc/77/14/47/1404771447.db2.gz PELPUWCCXXCATJ-UHFFFAOYSA-N -1 1 345.403 2.047 20 0 EEADMM Clc1ccc(NC[C@H]2CCc3cccnc32)nc1-c1nnn[n-]1 ZINC001606193591 1404776782 /nfs/dbraw/zinc/77/67/82/1404776782.db2.gz ITDWAUWFLJUHSX-SNVBAGLBSA-N -1 1 327.779 2.452 20 0 EEADMM Clc1ccc(NC[C@H]2CCc3cccnc32)nc1-c1nn[n-]n1 ZINC001606193591 1404776788 /nfs/dbraw/zinc/77/67/88/1404776788.db2.gz ITDWAUWFLJUHSX-SNVBAGLBSA-N -1 1 327.779 2.452 20 0 EEADMM FC1(F)CN(Cc2cccc(-c3nnn[n-]3)n2)Cc2ccccc21 ZINC001606299921 1404781419 /nfs/dbraw/zinc/78/14/19/1404781419.db2.gz MDNOABXFMOVNSU-UHFFFAOYSA-N -1 1 328.326 2.369 20 0 EEADMM FC1(F)CN(Cc2cccc(-c3nn[n-]n3)n2)Cc2ccccc21 ZINC001606299921 1404781426 /nfs/dbraw/zinc/78/14/26/1404781426.db2.gz MDNOABXFMOVNSU-UHFFFAOYSA-N -1 1 328.326 2.369 20 0 EEADMM CCC[C@@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1nn[n-]n1 ZINC000176758069 1405759579 /nfs/dbraw/zinc/75/95/79/1405759579.db2.gz VEHRQRBKGOVWAG-SNVBAGLBSA-N -1 1 348.432 2.189 20 0 EEADMM C[C@H](CCCNC(=O)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001756295248 1408298028 /nfs/dbraw/zinc/29/80/28/1408298028.db2.gz AUEXUVQBALMDDE-CYBMUJFWSA-N -1 1 327.384 2.116 20 0 EEADMM O=C(NCCC1=CCN(C(=O)C2=CCCC2)CC1)c1ncccc1[O-] ZINC001756876066 1409434027 /nfs/dbraw/zinc/43/40/27/1409434027.db2.gz JLYBVSLQWUQQLE-UHFFFAOYSA-N -1 1 341.411 2.176 20 0 EEADMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000319197781 1409848238 /nfs/dbraw/zinc/84/82/38/1409848238.db2.gz YUUVJHJLJRCANR-NSHDSACASA-N -1 1 331.438 2.224 20 0 EEADMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC ZINC000319197780 1409848998 /nfs/dbraw/zinc/84/89/98/1409848998.db2.gz YUUVJHJLJRCANR-LLVKDONJSA-N -1 1 331.438 2.224 20 0 EEADMM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001771701584 1409919449 /nfs/dbraw/zinc/91/94/49/1409919449.db2.gz BNYUNDSPEFEUJK-UHFFFAOYSA-N -1 1 341.419 2.026 20 0 EEADMM O=C(NCC1(Nc2cncc(Cl)n2)CCCC1)c1ncccc1[O-] ZINC001104382184 760008102 /nfs/dbraw/zinc/00/81/02/760008102.db2.gz BDXBSSGLWYOLBV-UHFFFAOYSA-N -1 1 347.806 2.385 20 0 EEADMM CSc1nc(Nc2ccc(NS(C)(=O)=O)cc2)cc(=O)[n-]1 ZINC001204584668 760239314 /nfs/dbraw/zinc/23/93/14/760239314.db2.gz DEVSNHRVSHLEGQ-UHFFFAOYSA-N -1 1 326.403 2.019 20 0 EEADMM CC(C)C(=O)N1CCC([C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001075448120 760372014 /nfs/dbraw/zinc/37/20/14/760372014.db2.gz OJAMNZOTPWTGGG-CQSZACIVSA-N -1 1 349.479 2.007 20 0 EEADMM Cc1cnc([C@@H](C)N2CCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027844415 773435274 /nfs/dbraw/zinc/43/52/74/773435274.db2.gz QRJSUGFIMOVNJQ-OLZOCXBDSA-N -1 1 330.388 2.039 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC000942751094 783111055 /nfs/dbraw/zinc/11/10/55/783111055.db2.gz AKGZNPZGPHHPKQ-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC000942754993 783137334 /nfs/dbraw/zinc/13/73/34/783137334.db2.gz BBAXMPCJAUEGNS-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000942756642 783141617 /nfs/dbraw/zinc/14/16/17/783141617.db2.gz PKFSHNJKSJXDKZ-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C)CC(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000981267532 777036637 /nfs/dbraw/zinc/03/66/37/777036637.db2.gz DAZFXMJAMXFKDS-GXTWGEPZSA-N -1 1 345.443 2.238 20 0 EEADMM CCC(CC)(CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940131773 778139773 /nfs/dbraw/zinc/13/97/73/778139773.db2.gz JKQFZEMDJUNJPY-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1ccc(F)c(F)c1F ZINC000182466766 779065097 /nfs/dbraw/zinc/06/50/97/779065097.db2.gz QEKGDVAAXPEOQF-VIFPVBQESA-N -1 1 337.344 2.177 20 0 EEADMM Cc1cc(C)c(C)c(OCCC(=O)NCc2n[n-]c(=S)n2C)c1 ZINC000067050048 779766151 /nfs/dbraw/zinc/76/61/51/779766151.db2.gz HIRJNVDIHVKSOV-UHFFFAOYSA-N -1 1 334.445 2.488 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccccc1NC(=O)C(C)(C)C)c1nn[n-]n1 ZINC000183435840 780941129 /nfs/dbraw/zinc/94/11/29/780941129.db2.gz ISJRUOAWJZYINC-LLVKDONJSA-N -1 1 344.419 2.060 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(CC=C(Cl)Cl)C[C@H]21 ZINC001075722343 781212235 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EEADMM CCCCN(C)c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743126 794204719 /nfs/dbraw/zinc/20/47/19/794204719.db2.gz GTZBPDSXJNDIOX-UHFFFAOYSA-N -1 1 342.447 2.456 20 0 EEADMM COc1ccc(S[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743154 794205608 /nfs/dbraw/zinc/20/56/08/794205608.db2.gz IJNNHRGQGVWNEB-LLVKDONJSA-N -1 1 347.444 2.095 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cc1F ZINC000913898838 794501974 /nfs/dbraw/zinc/50/19/74/794501974.db2.gz UCUXNXCUTBTXSI-ZCFIWIBFSA-N -1 1 346.182 2.446 20 0 EEADMM C[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079609722 794987341 /nfs/dbraw/zinc/98/73/41/794987341.db2.gz UOCWCFCXWWQEJR-BXUZGUMPSA-N -1 1 346.818 2.086 20 0 EEADMM C[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079610669 794988656 /nfs/dbraw/zinc/98/86/56/794988656.db2.gz DEPRNXKXPSIKQJ-BXUZGUMPSA-N -1 1 347.365 2.316 20 0 EEADMM Cn1ccnc1-c1cccc(NC(=O)NCc2n[n-]c(=S)n2C)c1 ZINC000085583976 795567622 /nfs/dbraw/zinc/56/76/22/795567622.db2.gz QKUYBTNPOLERHI-UHFFFAOYSA-N -1 1 343.416 2.200 20 0 EEADMM CC1(C)CC[C@@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535680 795584609 /nfs/dbraw/zinc/58/46/09/795584609.db2.gz HQTIHGVNRONGEN-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)[C@@H]1CCCC12CC2 ZINC000946538993 795677331 /nfs/dbraw/zinc/67/73/31/795677331.db2.gz YRNCVWDROGLKEV-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H](CCNC(=O)C[C@H](C)C(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001078125781 795956382 /nfs/dbraw/zinc/95/63/82/795956382.db2.gz AQPLNVCPXOAPEC-UWVGGRQHSA-N -1 1 347.337 2.000 20 0 EEADMM Cc1cc(NCCCNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001094375779 796183784 /nfs/dbraw/zinc/18/37/84/796183784.db2.gz PYAHVIKBSJPYLB-UHFFFAOYSA-N -1 1 329.404 2.241 20 0 EEADMM CC[C@H](C)CC(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001060988255 796558531 /nfs/dbraw/zinc/55/85/31/796558531.db2.gz MHWJYNRTHQQXLR-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)=CC(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078801469 796999945 /nfs/dbraw/zinc/99/99/45/796999945.db2.gz PFYUIHUHHVZOTI-AWEZNQCLSA-N -1 1 331.416 2.207 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001081967283 797047469 /nfs/dbraw/zinc/04/74/69/797047469.db2.gz BETNWJWZQXJDHK-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1ccsc1)c1noc(C(F)(F)F)n1 ZINC000916399711 797607687 /nfs/dbraw/zinc/60/76/87/797607687.db2.gz WWFGUOATVQUJAL-RXMQYKEDSA-N -1 1 327.309 2.189 20 0 EEADMM CC(=O)NCc1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001174230352 797719169 /nfs/dbraw/zinc/71/91/69/797719169.db2.gz PWCNBGTWIOLUQD-UHFFFAOYSA-N -1 1 330.348 2.026 20 0 EEADMM CCO[C@H](C)n1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])cn1 ZINC001174702121 797843658 /nfs/dbraw/zinc/84/36/58/797843658.db2.gz NKVBHOJVHQZPFS-SNVBAGLBSA-N -1 1 325.390 2.291 20 0 EEADMM C[S@@](=O)c1ccccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001175308771 798071288 /nfs/dbraw/zinc/07/12/88/798071288.db2.gz ZRUZAFLNVRIEJS-XMMPIXPASA-N -1 1 340.368 2.260 20 0 EEADMM O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)c1ncccc1[O-] ZINC001002658935 798397052 /nfs/dbraw/zinc/39/70/52/798397052.db2.gz HKJCVPORDIKOLE-UHFFFAOYSA-N -1 1 346.818 2.230 20 0 EEADMM CCC[N@H+]1CCc2c(N)sc(Nc3cnn(CC(=O)[O-])c3)c2C1 ZINC001176269861 798413504 /nfs/dbraw/zinc/41/35/04/798413504.db2.gz PTKRXRFXAKKJQN-UHFFFAOYSA-N -1 1 335.433 2.123 20 0 EEADMM CSc1nc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc(=O)[n-]1 ZINC001176958225 798657506 /nfs/dbraw/zinc/65/75/06/798657506.db2.gz NVZWPBPWYLMMNN-NSHDSACASA-N -1 1 345.428 2.154 20 0 EEADMM CN(c1cccc(F)n1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001061195459 798848696 /nfs/dbraw/zinc/84/86/96/798848696.db2.gz LIVNFIHJWFHCJT-GFCCVEGCSA-N -1 1 330.363 2.062 20 0 EEADMM CSc1nc(NC(=O)[C@H]2CCCN2Cc2ccco2)cc(=O)[n-]1 ZINC001177616278 799048558 /nfs/dbraw/zinc/04/85/58/799048558.db2.gz NDCAGIFYQLNPSY-LLVKDONJSA-N -1 1 334.401 2.100 20 0 EEADMM CCCCCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066077090 799973356 /nfs/dbraw/zinc/97/33/56/799973356.db2.gz JGLLBBNKIOUADB-AWEZNQCLSA-N -1 1 333.432 2.478 20 0 EEADMM CSCC[C@H](NC(=O)c1csc2c1CCCC2)c1nn[n-]n1 ZINC000824911501 800300537 /nfs/dbraw/zinc/30/05/37/800300537.db2.gz PYSBARZLTUQPCN-NSHDSACASA-N -1 1 337.474 2.364 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@@H](C)c2ccccc2)c1[O-] ZINC001085544414 800742117 /nfs/dbraw/zinc/74/21/17/800742117.db2.gz PUEZKGVXTPUXGI-DZGCQCFKSA-N -1 1 328.416 2.331 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2ccc(C)cc2)c1[O-] ZINC001085550060 800759664 /nfs/dbraw/zinc/75/96/64/800759664.db2.gz KBZBWADLWPWGQU-HNNXBMFYSA-N -1 1 328.416 2.079 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2ccc(=O)[nH]n2)c1 ZINC001181693312 800885586 /nfs/dbraw/zinc/88/55/86/800885586.db2.gz KGCMTLNXWWPUDE-QMMMGPOBSA-N -1 1 340.133 2.019 20 0 EEADMM O=C(Cc1c[nH]c2ccccc12)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001183094760 801471773 /nfs/dbraw/zinc/47/17/73/801471773.db2.gz VUQWSPQSSGMFQN-UHFFFAOYSA-N -1 1 337.261 2.055 20 0 EEADMM Cc1[nH+]c2ccccn2c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184665148 802124853 /nfs/dbraw/zinc/12/48/53/802124853.db2.gz ZJABGZIZCUOVPL-UHFFFAOYSA-N -1 1 345.380 2.450 20 0 EEADMM COc1cc(F)ncc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185098893 802331440 /nfs/dbraw/zinc/33/14/40/802331440.db2.gz PVZLLRBVBWLHFS-UHFFFAOYSA-N -1 1 332.303 2.449 20 0 EEADMM O=S(=O)([N-][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)nc1F ZINC000866984237 803525133 /nfs/dbraw/zinc/52/51/33/803525133.db2.gz NXJYZAYKDVBGGY-VIFPVBQESA-N -1 1 334.800 2.254 20 0 EEADMM Cc1ncc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2F)s1 ZINC000866989556 803680040 /nfs/dbraw/zinc/68/00/40/803680040.db2.gz CBRKSPUQOVMIOF-UHFFFAOYSA-N -1 1 335.813 2.160 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(Cl)c2)o1 ZINC000787641613 807179520 /nfs/dbraw/zinc/17/95/20/807179520.db2.gz QTQJRZRHMDXZHD-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM COC(=O)c1c[n-]c(SCC(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000788506121 807554853 /nfs/dbraw/zinc/55/48/53/807554853.db2.gz PCQGWVONHDZUBW-UHFFFAOYSA-N -1 1 342.380 2.357 20 0 EEADMM CCc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001112982748 807785566 /nfs/dbraw/zinc/78/55/66/807785566.db2.gz BDONNFFATTXJJV-QWRGUYRKSA-N -1 1 329.404 2.067 20 0 EEADMM CC(C)c1nccc(N[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112982686 807785908 /nfs/dbraw/zinc/78/59/08/807785908.db2.gz ANIDOWQMLAQQIW-NEPJUHHUSA-N -1 1 329.404 2.320 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1ccnc(C2CC2)n1 ZINC001112983161 807786474 /nfs/dbraw/zinc/78/64/74/807786474.db2.gz GMUNVXPHBLZMSB-WDEREUQCSA-N -1 1 327.388 2.074 20 0 EEADMM O=C(CCNC(=O)C1CCCCC1)Nc1nc(Cl)ccc1[O-] ZINC000790047648 808376016 /nfs/dbraw/zinc/37/60/16/808376016.db2.gz MIDGXWDGONTQAK-UHFFFAOYSA-N -1 1 325.796 2.466 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000791150097 809081186 /nfs/dbraw/zinc/08/11/86/809081186.db2.gz NYYYRLRYIQLPIB-WHWRDJHUSA-N -1 1 349.431 2.023 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccnc(CCc4ccccc4)n3)c2[nH]1 ZINC001170218324 809820568 /nfs/dbraw/zinc/82/05/68/809820568.db2.gz VEUVZPSMTJNUKM-UHFFFAOYSA-N -1 1 349.354 2.035 20 0 EEADMM CCCC[C@@H](CNc1cc(F)ncn1)NC(=O)c1ncccc1[O-] ZINC001114241536 810664315 /nfs/dbraw/zinc/66/43/15/810664315.db2.gz YPJUZIZQTHGICH-NSHDSACASA-N -1 1 333.367 2.117 20 0 EEADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000805603023 811364813 /nfs/dbraw/zinc/36/48/13/811364813.db2.gz CTQSFSGAPDTOGV-LURJTMIESA-N -1 1 329.143 2.296 20 0 EEADMM Cc1ccc2c(CCNC(=O)N=c3ccnc4n(C)[n-]cc3-4)c[nH]c2c1 ZINC000806490907 811879661 /nfs/dbraw/zinc/87/96/61/811879661.db2.gz QGYPVAMVMMPVFP-UHFFFAOYSA-N -1 1 348.410 2.496 20 0 EEADMM C[C@H](COc1cccc(F)c1)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492288 811881428 /nfs/dbraw/zinc/88/14/28/811881428.db2.gz DLTFPYOSKSXWBA-LLVKDONJSA-N -1 1 343.362 2.070 20 0 EEADMM CN(CCc1ccccc1F)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806485924 811896259 /nfs/dbraw/zinc/89/62/59/811896259.db2.gz FNWZKSHYZIXDKO-UHFFFAOYSA-N -1 1 327.363 2.187 20 0 EEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1cccc(-c2ccccc2)c1 ZINC000805263011 811899150 /nfs/dbraw/zinc/89/91/50/811899150.db2.gz GNKHPHCGMZLMPS-UHFFFAOYSA-N -1 1 335.363 2.232 20 0 EEADMM O=C([O-])C1(c2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2)CC1 ZINC000321815534 970811183 /nfs/dbraw/zinc/81/11/83/970811183.db2.gz ZTYVKTVABBBFKE-UHFFFAOYSA-N -1 1 336.344 2.138 20 0 EEADMM COc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1C#N ZINC000323682939 971028922 /nfs/dbraw/zinc/02/89/22/971028922.db2.gz HPZIBVPYYHOULH-AWEZNQCLSA-N -1 1 328.290 2.406 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000324747303 971154152 /nfs/dbraw/zinc/15/41/52/971154152.db2.gz NVYMDELJTNKIRB-AWEZNQCLSA-N -1 1 344.758 2.037 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826344299 948003604 /nfs/dbraw/zinc/00/36/04/948003604.db2.gz CUYKLYHBNAULPW-CQSZACIVSA-N -1 1 338.371 2.069 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826344299 948003612 /nfs/dbraw/zinc/00/36/12/948003612.db2.gz 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CCOCCNC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000753452932 577787738 /nfs/dbraw/zinc/78/77/38/577787738.db2.gz PNSYGVMRQKDPKQ-UHFFFAOYSA-N -1 1 336.171 2.009 20 0 EEADMM CCC(=O)N1CCC[C@@H](C(=O)OCCc2cc(C(C)=O)ccc2[O-])C1 ZINC000744812743 577903606 /nfs/dbraw/zinc/90/36/06/577903606.db2.gz PWRHVGVFLYBRBR-MRXNPFEDSA-N -1 1 347.411 2.329 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C(C)C)N2CCCC2=O)c1 ZINC000744918733 577905294 /nfs/dbraw/zinc/90/52/94/577905294.db2.gz LLPFEZONERCDDB-SFHVURJKSA-N -1 1 347.411 2.328 20 0 EEADMM COC(=O)CC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747368365 577942976 /nfs/dbraw/zinc/94/29/76/577942976.db2.gz SXUVWTJUGIABLA-UHFFFAOYSA-N -1 1 335.404 2.029 20 0 EEADMM Cc1[nH]nc(S(=O)(=O)Nc2cccc(Cl)c2F)c1C(=O)[O-] ZINC000738827720 578028029 /nfs/dbraw/zinc/02/80/29/578028029.db2.gz OHBJSPVYYVXBAC-UHFFFAOYSA-N -1 1 333.728 2.010 20 0 EEADMM CC(C)OC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735894816 578172805 /nfs/dbraw/zinc/17/28/05/578172805.db2.gz 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CC(C)(NCC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)[O-] ZINC000736339201 578197232 /nfs/dbraw/zinc/19/72/32/578197232.db2.gz MZKMNFODTIWBRM-UHFFFAOYSA-N -1 1 332.444 2.458 20 0 EEADMM CCC[C@H](NC(=O)c1cc2cc(OC)ccc2nc1C)c1nn[n-]n1 ZINC000736431301 578203421 /nfs/dbraw/zinc/20/34/21/578203421.db2.gz IURSUOYQGHPXCQ-HNNXBMFYSA-N -1 1 340.387 2.336 20 0 EEADMM COc1cccc(OCCCNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737141040 578240470 /nfs/dbraw/zinc/24/04/70/578240470.db2.gz JOVNRPDZIATMTL-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM COc1cccc(OCCCNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737141040 578240471 /nfs/dbraw/zinc/24/04/71/578240471.db2.gz JOVNRPDZIATMTL-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC(C)(C)C(C)C ZINC000737201561 578243462 /nfs/dbraw/zinc/24/34/62/578243462.db2.gz UNQGBVIQJSGKOM-UHFFFAOYSA-N -1 1 346.435 2.068 20 0 EEADMM CCS[C@@H]1CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000737232076 578244887 /nfs/dbraw/zinc/24/48/87/578244887.db2.gz XGOQEXDYFXEHNL-KGLIPLIRSA-N -1 1 330.494 2.210 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N1CCCC1 ZINC000737275072 578247574 /nfs/dbraw/zinc/24/75/74/578247574.db2.gz PEQMKJMQZAIUBC-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N1CCCC1 ZINC000737275072 578247575 /nfs/dbraw/zinc/24/75/75/578247575.db2.gz PEQMKJMQZAIUBC-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1cccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)c21 ZINC000737408414 578255698 /nfs/dbraw/zinc/25/56/98/578255698.db2.gz LWWWDVXTFLSEKK-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1cccc2[nH]cc(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)c21 ZINC000737408414 578255699 /nfs/dbraw/zinc/25/56/99/578255699.db2.gz LWWWDVXTFLSEKK-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Clc1ccc(NCc2cccc3c2OCO3)nc1-c1nnn[n-]1 ZINC000737573295 578264926 /nfs/dbraw/zinc/26/49/26/578264926.db2.gz FMXTVKZBGWMYCH-UHFFFAOYSA-N -1 1 330.735 2.256 20 0 EEADMM Clc1ccc(NCc2cccc3c2OCO3)nc1-c1nn[n-]n1 ZINC000737573295 578264927 /nfs/dbraw/zinc/26/49/27/578264927.db2.gz FMXTVKZBGWMYCH-UHFFFAOYSA-N -1 1 330.735 2.256 20 0 EEADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021401 578276735 /nfs/dbraw/zinc/27/67/35/578276735.db2.gz BWVNMQVHAPVRBS-SGMGOOAPSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021401 578276736 /nfs/dbraw/zinc/27/67/36/578276736.db2.gz BWVNMQVHAPVRBS-SGMGOOAPSA-N -1 1 326.404 2.350 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCOc2ccc(Br)cc2)C1 ZINC000833174390 601450121 /nfs/dbraw/zinc/45/01/21/601450121.db2.gz FKOWEOXRRUXVML-CYBMUJFWSA-N -1 1 332.169 2.327 20 0 EEADMM Cc1nn(-c2ccccc2)c(CS[C@@H](C)[C@H](C)O)c1-c1nn[n-]n1 ZINC000822486553 599131661 /nfs/dbraw/zinc/13/16/61/599131661.db2.gz OHGMOCDBUBOHME-RYUDHWBXSA-N -1 1 344.444 2.363 20 0 EEADMM COCCn1c(C)cc(C(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000818545463 597070414 /nfs/dbraw/zinc/07/04/14/597070414.db2.gz NVLFSLYIWLYPDS-OAHLLOKOSA-N -1 1 336.432 2.121 20 0 EEADMM C[C@H](NCC(=O)NCC(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000820142060 597807067 /nfs/dbraw/zinc/80/70/67/597807067.db2.gz NBOPXJAEBGNSOJ-LBPRGKRZSA-N -1 1 346.358 2.469 20 0 EEADMM C[C@H]1CN(CCCNC(=O)Nc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000820251816 598178184 /nfs/dbraw/zinc/17/81/84/598178184.db2.gz KQRUVTTVIMYOHT-STQMWFEESA-N -1 1 335.404 2.006 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H](C(F)(F)F)O1 ZINC000820776736 599688111 /nfs/dbraw/zinc/68/81/11/599688111.db2.gz NCBCVPUNLZEPSW-POYBYMJQSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H](C(F)(F)F)O1 ZINC000820776736 599688112 /nfs/dbraw/zinc/68/81/12/599688112.db2.gz NCBCVPUNLZEPSW-POYBYMJQSA-N -1 1 348.716 2.071 20 0 EEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000830959946 600834635 /nfs/dbraw/zinc/83/46/35/600834635.db2.gz DDTDLGUCQUITPC-CABCVRRESA-N -1 1 345.443 2.268 20 0 EEADMM CN(C)Cc1cc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1F ZINC000830620193 600956439 /nfs/dbraw/zinc/95/64/39/600956439.db2.gz QHZXNCSIIQPPGE-KGLIPLIRSA-N -1 1 336.407 2.395 20 0 EEADMM Cc1ccc([C@@H](NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832923913 601034988 /nfs/dbraw/zinc/03/49/88/601034988.db2.gz SOVQHKIKMNQBID-MJGOQNOKSA-N -1 1 330.428 2.405 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000827375561 601093611 /nfs/dbraw/zinc/09/36/11/601093611.db2.gz ZQFIDNGQKZOQEN-HNNXBMFYSA-N -1 1 341.411 2.098 20 0 EEADMM CCN(CC)[C@H](CNC(=O)c1ccnc(C(=O)[O-])c1)c1ccco1 ZINC000829666985 601245220 /nfs/dbraw/zinc/24/52/20/601245220.db2.gz YIFXOIKAKSJZLN-CQSZACIVSA-N -1 1 331.372 2.186 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(C2CCOCC2)CC1 ZINC000832916751 601299961 /nfs/dbraw/zinc/29/99/61/601299961.db2.gz PAZSRTSHTLABPO-UHFFFAOYSA-N -1 1 347.415 2.022 20 0 EEADMM CCc1cccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000830265809 601338003 /nfs/dbraw/zinc/33/80/03/601338003.db2.gz RNFDCAFRHUIMGY-ZDUSSCGKSA-N -1 1 335.473 2.427 20 0 EEADMM Cc1noc([C@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000833023071 601399207 /nfs/dbraw/zinc/39/92/07/601399207.db2.gz RPHVTFCAJSWITJ-LBPRGKRZSA-N -1 1 341.371 2.263 20 0 EEADMM CCN1CCN(c2ccc(C(=O)OC/C=C(/C)C(=O)[O-])cc2)CC1 ZINC000829780379 601427578 /nfs/dbraw/zinc/42/75/78/601427578.db2.gz GHFHSZWNLZEVIV-ZSOIEALJSA-N -1 1 332.400 2.016 20 0 EEADMM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000828672460 601480234 /nfs/dbraw/zinc/48/02/34/601480234.db2.gz SIMHJVHSNAVWOD-LBPRGKRZSA-N -1 1 325.308 2.026 20 0 EEADMM CN(c1cccnn1)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830895421 601629269 /nfs/dbraw/zinc/62/92/69/601629269.db2.gz XJIWUJWHZPYGNW-UHFFFAOYSA-N -1 1 344.390 2.415 20 0 EEADMM CCOC(=O)[C@@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825486408 607520533 /nfs/dbraw/zinc/52/05/33/607520533.db2.gz QYUIHCBKUWEFMM-JTQLQIEISA-N -1 1 326.360 2.026 20 0 EEADMM CCOC(=O)[C@@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825486408 607520535 /nfs/dbraw/zinc/52/05/35/607520535.db2.gz QYUIHCBKUWEFMM-JTQLQIEISA-N -1 1 326.360 2.026 20 0 EEADMM Cn1cc(NS(=O)(=O)c2cccc3ncccc32)cc1C(=O)[O-] ZINC000833053467 601783676 /nfs/dbraw/zinc/78/36/76/601783676.db2.gz VCNUOIKUZATMFS-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM O=C([O-])c1ncn(CN2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000833345712 601798743 /nfs/dbraw/zinc/79/87/43/601798743.db2.gz ZRKICPFOOLZYTP-SFHVURJKSA-N -1 1 326.400 2.304 20 0 EEADMM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)c2ccccc21 ZINC000833215403 602019832 /nfs/dbraw/zinc/01/98/32/602019832.db2.gz ISVGKCYKJBXMHV-YPMHNXCESA-N -1 1 325.368 2.435 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N2CCCC2)o1 ZINC000832924663 602066709 /nfs/dbraw/zinc/06/67/09/602066709.db2.gz XQANDUDUSNJSAW-KDOFPFPSSA-N -1 1 349.431 2.231 20 0 EEADMM COc1ccc([C@@H](CNC(=O)[C@@H](C)CC(=O)[O-])N2CCCCC2)cc1 ZINC000832240334 602072355 /nfs/dbraw/zinc/07/23/55/602072355.db2.gz BNUYMODHNXXGEV-WMLDXEAASA-N -1 1 348.443 2.449 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)CN2CCC(C)CC2)C(=O)[O-])c1 ZINC000832969389 602362402 /nfs/dbraw/zinc/36/24/02/602362402.db2.gz LYLZMKKYGRJKKB-QGZVFWFLSA-N -1 1 332.444 2.086 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1C ZINC000826300022 607576310 /nfs/dbraw/zinc/57/63/10/607576310.db2.gz FACDAAFFMSEMHL-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000826300022 607576312 /nfs/dbraw/zinc/57/63/12/607576312.db2.gz FACDAAFFMSEMHL-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CC(C)[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824193178 607583502 /nfs/dbraw/zinc/58/35/02/607583502.db2.gz UKRLCALIQBKCNK-VIFPVBQESA-N -1 1 343.840 2.185 20 0 EEADMM CC(C)[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824193178 607583503 /nfs/dbraw/zinc/58/35/03/607583503.db2.gz UKRLCALIQBKCNK-VIFPVBQESA-N -1 1 343.840 2.185 20 0 EEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825147328 607597361 /nfs/dbraw/zinc/59/73/61/607597361.db2.gz IGYQZTGGFOTDJR-JTQLQIEISA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825147328 607597363 /nfs/dbraw/zinc/59/73/63/607597363.db2.gz IGYQZTGGFOTDJR-JTQLQIEISA-N -1 1 343.840 2.233 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824086477 607639324 /nfs/dbraw/zinc/63/93/24/607639324.db2.gz MPRHNCMNPIOMHD-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824086477 607639326 /nfs/dbraw/zinc/63/93/26/607639326.db2.gz MPRHNCMNPIOMHD-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000827007191 604431139 /nfs/dbraw/zinc/43/11/39/604431139.db2.gz VCBYYXIAZTWSMD-HNNXBMFYSA-N -1 1 331.372 2.027 20 0 EEADMM CCC[C@@](C)(NCC(=O)Nc1nnc(C(C)(C)C)s1)C(=O)[O-] ZINC000829193612 604475129 /nfs/dbraw/zinc/47/51/29/604475129.db2.gz BAPIATGMBCGDRJ-CQSZACIVSA-N -1 1 328.438 2.007 20 0 EEADMM COc1cccc(OCCOC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826217322 607705704 /nfs/dbraw/zinc/70/57/04/607705704.db2.gz HVRGWRBGTSOAHP-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(Cl)s1 ZINC000833621354 605043520 /nfs/dbraw/zinc/04/35/20/605043520.db2.gz ANCNJKXPSOODMW-JTQLQIEISA-N -1 1 345.852 2.092 20 0 EEADMM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536267 605058294 /nfs/dbraw/zinc/05/82/94/605058294.db2.gz QKEOFWUATVVSHQ-QWRGUYRKSA-N -1 1 347.371 2.174 20 0 EEADMM CCN1C[C@H](CN(C)Cc2ccc(C(=O)[O-])[nH]2)Oc2ccccc21 ZINC000833656577 605102282 /nfs/dbraw/zinc/10/22/82/605102282.db2.gz JYXAEWZZKAZXJE-AWEZNQCLSA-N -1 1 329.400 2.432 20 0 EEADMM C/C(=C\CN[C@H](CCO)c1ccccc1Br)C(=O)[O-] ZINC000833383877 605138200 /nfs/dbraw/zinc/13/82/00/605138200.db2.gz OKWXKALGEDAXAR-BCRSCGJKSA-N -1 1 328.206 2.493 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000833637747 605143563 /nfs/dbraw/zinc/14/35/63/605143563.db2.gz GBKBNVAODWAHJL-LYOVBCGYSA-N -1 1 340.395 2.100 20 0 EEADMM C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1CCC(=O)[O-] ZINC000833617678 605250347 /nfs/dbraw/zinc/25/03/47/605250347.db2.gz GALSEDNADKTVMU-PGBRGIIUSA-N -1 1 334.460 2.210 20 0 EEADMM CCOc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833664703 605257645 /nfs/dbraw/zinc/25/76/45/605257645.db2.gz XGPWTQBOGFQOAP-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833617543 605278387 /nfs/dbraw/zinc/27/83/87/605278387.db2.gz DPZGBDIAYBSCQH-BAABZTOOSA-N -1 1 334.391 2.236 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCC2(C(=O)[O-])CCCCC2)C[C@@H]1C ZINC000833658587 605435886 /nfs/dbraw/zinc/43/58/86/605435886.db2.gz UEFOUOVUMVZXQC-KBPBESRZSA-N -1 1 325.453 2.146 20 0 EEADMM O=C(Oc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823455126 606182900 /nfs/dbraw/zinc/18/29/00/606182900.db2.gz WRJPDCLWUMUKGS-UHFFFAOYSA-N -1 1 336.355 2.081 20 0 EEADMM O=C(Oc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823455126 606182901 /nfs/dbraw/zinc/18/29/01/606182901.db2.gz WRJPDCLWUMUKGS-UHFFFAOYSA-N -1 1 336.355 2.081 20 0 EEADMM COc1ccc(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821790820 606195220 /nfs/dbraw/zinc/19/52/20/606195220.db2.gz VLSSWIMWIMRKHN-UHFFFAOYSA-N -1 1 339.355 2.152 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823289138 606196137 /nfs/dbraw/zinc/19/61/37/606196137.db2.gz CLRYCHBBTBAYLY-CHWSQXEVSA-N -1 1 339.330 2.454 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H]1c1ccccn1 ZINC000823482823 606533908 /nfs/dbraw/zinc/53/39/08/606533908.db2.gz AFKHQURJTNBSBQ-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1c1ccccn1 ZINC000823482823 606533910 /nfs/dbraw/zinc/53/39/10/606533910.db2.gz AFKHQURJTNBSBQ-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2F)c1ccc(-c2nnn[n-]2)s1 ZINC000823161626 606533967 /nfs/dbraw/zinc/53/39/67/606533967.db2.gz PAVGWNGQAPNYPV-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2F)c1ccc(-c2nn[n-]n2)s1 ZINC000823161626 606533969 /nfs/dbraw/zinc/53/39/69/606533969.db2.gz PAVGWNGQAPNYPV-LLVKDONJSA-N -1 1 329.360 2.485 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000822534928 606534470 /nfs/dbraw/zinc/53/44/70/606534470.db2.gz CGKBNORIWYIEBC-MNOVXSKESA-N -1 1 340.387 2.429 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000822534928 606534472 /nfs/dbraw/zinc/53/44/72/606534472.db2.gz CGKBNORIWYIEBC-MNOVXSKESA-N -1 1 340.387 2.429 20 0 EEADMM Cc1nc(CC(C)C)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000822437339 606748611 /nfs/dbraw/zinc/74/86/11/606748611.db2.gz ZVGHWGYXNDRACD-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM Cc1nc(CC(C)C)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000822437339 606748612 /nfs/dbraw/zinc/74/86/12/606748612.db2.gz ZVGHWGYXNDRACD-UHFFFAOYSA-N -1 1 343.416 2.477 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)COc2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC000824925798 607865972 /nfs/dbraw/zinc/86/59/72/607865972.db2.gz HEWMRWMZDVDCOM-MDZLAQPJSA-N -1 1 347.394 2.326 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)COc2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC000824925798 607865973 /nfs/dbraw/zinc/86/59/73/607865973.db2.gz HEWMRWMZDVDCOM-MDZLAQPJSA-N -1 1 347.394 2.326 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000826504876 607875116 /nfs/dbraw/zinc/87/51/16/607875116.db2.gz GZQNMIOMAWIHFF-LLVKDONJSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000826504876 607875117 /nfs/dbraw/zinc/87/51/17/607875117.db2.gz GZQNMIOMAWIHFF-LLVKDONJSA-N -1 1 336.273 2.396 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(-c2ccccc2)n1 ZINC000824662878 607902160 /nfs/dbraw/zinc/90/21/60/607902160.db2.gz STCTYFHRGFLGTD-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(-c2ccccc2)n1 ZINC000824662878 607902161 /nfs/dbraw/zinc/90/21/61/607902161.db2.gz STCTYFHRGFLGTD-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826462267 607956137 /nfs/dbraw/zinc/95/61/37/607956137.db2.gz SPGHAHWCEJWFBE-IMTBSYHQSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826462267 607956138 /nfs/dbraw/zinc/95/61/38/607956138.db2.gz SPGHAHWCEJWFBE-IMTBSYHQSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccsc2[nH]1 ZINC000826451072 607999705 /nfs/dbraw/zinc/99/97/05/607999705.db2.gz OWXXVUBLMRBQQZ-UHFFFAOYSA-N -1 1 326.341 2.367 20 0 EEADMM Cc1cc(C)n(C[C@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)n1 ZINC000826265410 608049561 /nfs/dbraw/zinc/04/95/61/608049561.db2.gz XXIYMRSIVNLCKL-CQSZACIVSA-N -1 1 338.419 2.134 20 0 EEADMM Cc1cc(C)n(C[C@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)n1 ZINC000826265410 608049562 /nfs/dbraw/zinc/04/95/62/608049562.db2.gz XXIYMRSIVNLCKL-CQSZACIVSA-N -1 1 338.419 2.134 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000824333798 608436920 /nfs/dbraw/zinc/43/69/20/608436920.db2.gz MVTYJGSHFXFGED-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000824333798 608436922 /nfs/dbraw/zinc/43/69/22/608436922.db2.gz MVTYJGSHFXFGED-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CCCOc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000825338994 608607730 /nfs/dbraw/zinc/60/77/30/608607730.db2.gz LQGNENWPZHCNJC-UHFFFAOYSA-N -1 1 342.363 2.033 20 0 EEADMM CCCOc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000825338994 608607732 /nfs/dbraw/zinc/60/77/32/608607732.db2.gz LQGNENWPZHCNJC-UHFFFAOYSA-N -1 1 342.363 2.033 20 0 EEADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825908314 609325542 /nfs/dbraw/zinc/32/55/42/609325542.db2.gz GOYBZHXVHSAJSB-SJCJKPOMSA-N -1 1 338.415 2.402 20 0 EEADMM CN(C[C@@H]1CCCC[C@@H]1O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825908314 609325544 /nfs/dbraw/zinc/32/55/44/609325544.db2.gz GOYBZHXVHSAJSB-SJCJKPOMSA-N -1 1 338.415 2.402 20 0 EEADMM CN(C[C@H]1CCCC[C@@H]1O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825908313 609325578 /nfs/dbraw/zinc/32/55/78/609325578.db2.gz GOYBZHXVHSAJSB-PXAZEXFGSA-N -1 1 338.415 2.402 20 0 EEADMM CN(C[C@H]1CCCC[C@@H]1O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825908313 609325580 /nfs/dbraw/zinc/32/55/80/609325580.db2.gz GOYBZHXVHSAJSB-PXAZEXFGSA-N -1 1 338.415 2.402 20 0 EEADMM CC[C@H](C)n1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C ZINC000825080542 609392142 /nfs/dbraw/zinc/39/21/42/609392142.db2.gz ADYQLYPPCVAPDA-VIFPVBQESA-N -1 1 341.375 2.301 20 0 EEADMM CC(C)n1c(CNC(=O)c2cnn(C)c2C(F)F)n[n-]c1=S ZINC000066640747 674975177 /nfs/dbraw/zinc/97/51/77/674975177.db2.gz STZACFRLHDPRPN-UHFFFAOYSA-N -1 1 330.364 2.123 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)c2cncc([O-])c2)C1 ZINC000891025152 675970541 /nfs/dbraw/zinc/97/05/41/675970541.db2.gz PNAFRKPHRQSFOB-GOSISDBHSA-N -1 1 347.415 2.403 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000891614080 676722845 /nfs/dbraw/zinc/72/28/45/676722845.db2.gz LGIXKBWERIKRLP-HIFRSBDPSA-N -1 1 340.383 2.172 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-n3ccnc3)nc2)c1 ZINC000065634248 679160945 /nfs/dbraw/zinc/16/09/45/679160945.db2.gz YWICUBYYUPUVJU-UHFFFAOYSA-N -1 1 337.339 2.184 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccccc1 ZINC000984801700 685266488 /nfs/dbraw/zinc/26/64/88/685266488.db2.gz VQMVITFLUIYHQE-LSDHHAIUSA-N -1 1 339.395 2.210 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(C)co1 ZINC000984800418 685274989 /nfs/dbraw/zinc/27/49/89/685274989.db2.gz XHMDETRDYATATE-QWHCGFSZSA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC000937201634 681642684 /nfs/dbraw/zinc/64/26/84/681642684.db2.gz CKAKLMUFUSGXFX-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM CN(C(=O)C1CCC=CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216780 681699501 /nfs/dbraw/zinc/69/95/01/681699501.db2.gz MFWQSRLOZKFAMR-OAHLLOKOSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)[C@H]1CC12CCCC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937221162 681728078 /nfs/dbraw/zinc/72/80/78/681728078.db2.gz ZCOUDNJFUKLSKT-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1c(C(=O)NCc2n[n-]c(=S)n2C)cnn1-c1ccccc1F ZINC000066625609 681739623 /nfs/dbraw/zinc/73/96/23/681739623.db2.gz HFRSPMJRVNEYPA-UHFFFAOYSA-N -1 1 346.391 2.041 20 0 EEADMM CC(=O)Nc1ccc(CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066640649 681780130 /nfs/dbraw/zinc/78/01/30/681780130.db2.gz BGTCGTLIPPLSFZ-UHFFFAOYSA-N -1 1 347.444 2.339 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675919 682026517 /nfs/dbraw/zinc/02/65/17/682026517.db2.gz OMSBDFSNALFVGA-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199794 682297088 /nfs/dbraw/zinc/29/70/88/682297088.db2.gz SLWPPGKZJLHEGL-LXTVHRRPSA-N -1 1 345.443 2.381 20 0 EEADMM COCc1nc(NC[C@H](C)COc2ccccc2OC)cc(=O)[n-]1 ZINC000893037831 683610937 /nfs/dbraw/zinc/61/09/37/683610937.db2.gz KVLRDOMXUINBJM-LBPRGKRZSA-N -1 1 333.388 2.464 20 0 EEADMM C/C(=C\C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983939103 683852409 /nfs/dbraw/zinc/85/24/09/683852409.db2.gz JWENFTNHDJONEV-HFBDAHEESA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)CC1CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984109854 684112009 /nfs/dbraw/zinc/11/20/09/684112009.db2.gz YOFCYHMFJHSITH-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1sc(N)nc1[O-] ZINC000162354453 684567729 /nfs/dbraw/zinc/56/77/29/684567729.db2.gz NGUMMZQOOGVFLJ-ZIAGYGMSSA-N -1 1 333.457 2.203 20 0 EEADMM C[C@]1(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909563630 685799969 /nfs/dbraw/zinc/79/99/69/685799969.db2.gz VCVUINFNWCDIRV-OXJNMPFZSA-N -1 1 344.455 2.193 20 0 EEADMM CC(C)(C)N1CC[C@@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000897112845 686160383 /nfs/dbraw/zinc/16/03/83/686160383.db2.gz RSZLWKFNNSISPW-MRVPVSSYSA-N -1 1 328.210 2.361 20 0 EEADMM C[C@H](C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC001059516192 686285409 /nfs/dbraw/zinc/28/54/09/686285409.db2.gz HJDGCKBUKKUTCN-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC001059518271 686291934 /nfs/dbraw/zinc/29/19/34/686291934.db2.gz JRTRQWNTWFBRCP-LIRRHRJNSA-N -1 1 343.427 2.112 20 0 EEADMM Cn1cnnc1[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897281512 686518835 /nfs/dbraw/zinc/51/88/35/686518835.db2.gz NTOPVOZEPGZIJC-HNNXBMFYSA-N -1 1 338.367 2.357 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCc3c2cccc3Cl)C1 ZINC000909401667 694040624 /nfs/dbraw/zinc/04/06/24/694040624.db2.gz RZFZWSFUVIGZDS-ABAIWWIYSA-N -1 1 336.819 2.240 20 0 EEADMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897299279 686645543 /nfs/dbraw/zinc/64/55/43/686645543.db2.gz CCYMURJTVBLJSP-YJYMSZOUSA-N -1 1 343.379 2.319 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000975948504 687200715 /nfs/dbraw/zinc/20/07/15/687200715.db2.gz GYICZXBGEFAFOX-KGLIPLIRSA-N -1 1 331.416 2.183 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976238673 687487054 /nfs/dbraw/zinc/48/70/54/687487054.db2.gz RKLCWXZNOYGYEQ-RBSFLKMASA-N -1 1 343.427 2.301 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060144155 694155817 /nfs/dbraw/zinc/15/58/17/694155817.db2.gz OUBNBRNNNXIOMN-HWIKDYBBSA-N -1 1 343.427 2.278 20 0 EEADMM C[C@@H]1[C@H](NCc2coc(C3CC3)n2)CCN1C(=O)c1ncccc1[O-] ZINC000986172316 688330093 /nfs/dbraw/zinc/33/00/93/688330093.db2.gz SQKZJSGXTRPVAU-BXUZGUMPSA-N -1 1 342.399 2.045 20 0 EEADMM CC1(C(=O)N2CCCCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000987055392 689287924 /nfs/dbraw/zinc/28/79/24/689287924.db2.gz MNQUQJPDFYUXPW-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM COc1ccc([C@H](NC(=O)[C@@H]2CCCCN2C)C(=O)[O-])cc1Cl ZINC000904217703 694329337 /nfs/dbraw/zinc/32/93/37/694329337.db2.gz MXRGBMGDIGAUKA-JSGCOSHPSA-N -1 1 340.807 2.075 20 0 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345.443 2.334 20 0 EEADMM CC1(C)CC(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)C1 ZINC001008110651 1222627843 /nfs/dbraw/zinc/62/78/43/1222627843.db2.gz FJUCRPBUOKQDCL-CQSZACIVSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])CN1C(=O)CC1CCCC1 ZINC001009974594 1223477624 /nfs/dbraw/zinc/47/76/24/1223477624.db2.gz LEQSLNCEKYOYJS-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccsc1C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016185952 1226183150 /nfs/dbraw/zinc/18/31/50/1226183150.db2.gz WBFGETXHWDSISM-UHFFFAOYSA-N -1 1 345.424 2.190 20 0 EEADMM Cc1cc(C(=O)N(C)C2CC(NC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001016237485 1226239363 /nfs/dbraw/zinc/23/93/63/1226239363.db2.gz HUAVCTADBSBRND-UHFFFAOYSA-N -1 1 343.383 2.030 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC001016427959 1226468520 /nfs/dbraw/zinc/46/85/20/1226468520.db2.gz PQIKXNHAQSLJDP-UHFFFAOYSA-N -1 1 343.427 2.087 20 0 EEADMM Cc1conc1CN(C)C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001017108857 1227128090 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Cc1c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc2n1C ZINC001600057892 1349963163 /nfs/dbraw/zinc/96/31/63/1349963163.db2.gz FZPNEMGKFNWHCZ-UHFFFAOYSA-N -1 1 347.396 2.324 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1C1CC1 ZINC001600082924 1349967466 /nfs/dbraw/zinc/96/74/66/1349967466.db2.gz GPDNJVXOLWCSJF-GFCCVEGCSA-N -1 1 333.432 2.061 20 0 EEADMM Cc1cc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)oc1C(=O)[O-] ZINC001600193854 1349989250 /nfs/dbraw/zinc/98/92/50/1349989250.db2.gz UQRILQJCJNPVAM-UHFFFAOYSA-N -1 1 348.321 2.177 20 0 EEADMM Cc1ccc([C@H](NCc2cc(=O)n3ccccc3n2)C(=O)[O-])cc1C ZINC001600384841 1350036494 /nfs/dbraw/zinc/03/64/94/1350036494.db2.gz MCAWAELHYIZCEK-SFHVURJKSA-N -1 1 337.379 2.227 20 0 EEADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC(OCCCO)CC1 ZINC001601687205 1350337720 /nfs/dbraw/zinc/33/77/20/1350337720.db2.gz OYBCXZCPXNQFRW-HNNXBMFYSA-N -1 1 345.798 2.468 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC001601768726 1350359767 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EEADMM Cc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC001605853262 1351237336 /nfs/dbraw/zinc/23/73/36/1351237336.db2.gz GCJOHVVMVMDOEM-UHFFFAOYSA-N -1 1 327.323 2.031 20 0 EEADMM Cc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC001605853262 1351237341 /nfs/dbraw/zinc/23/73/41/1351237341.db2.gz GCJOHVVMVMDOEM-UHFFFAOYSA-N -1 1 327.323 2.031 20 0 EEADMM CCc1nc(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)sc1C(=O)[O-] ZINC001605854532 1351237357 /nfs/dbraw/zinc/23/73/57/1351237357.db2.gz BFJZAHDBNMKBEH-UHFFFAOYSA-N -1 1 345.384 2.385 20 0 EEADMM O=C(c1ccncc1Oc1ccccc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302937560 1331340503 /nfs/dbraw/zinc/34/05/03/1331340503.db2.gz NHHKJDHGXJWEGQ-LBPRGKRZSA-N -1 1 336.355 2.017 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC001608575018 1351719310 /nfs/dbraw/zinc/71/93/10/1351719310.db2.gz AXABOPHOGSRSLI-FZMZJTMJSA-N -1 1 335.297 2.107 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)[C@@H]2CCC[C@@H]21 ZINC001608633248 1351730119 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CC(C)Oc1cccc(CN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609103488 1351844859 /nfs/dbraw/zinc/84/48/59/1351844859.db2.gz WMTXFJLVRHIKMQ-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609103488 1351844860 /nfs/dbraw/zinc/84/48/60/1351844860.db2.gz WMTXFJLVRHIKMQ-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609109352 1351846488 /nfs/dbraw/zinc/84/64/88/1351846488.db2.gz YMWGASUUNKLQPQ-VIFPVBQESA-N -1 1 341.412 2.109 20 0 EEADMM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609109352 1351846490 /nfs/dbraw/zinc/84/64/90/1351846490.db2.gz YMWGASUUNKLQPQ-VIFPVBQESA-N -1 1 341.412 2.109 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2o1 ZINC001609131950 1351855000 /nfs/dbraw/zinc/85/50/00/1351855000.db2.gz CAYBEXFWLLAFOF-VIFPVBQESA-N -1 1 336.311 2.321 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2o1 ZINC001609131950 1351855003 /nfs/dbraw/zinc/85/50/03/1351855003.db2.gz CAYBEXFWLLAFOF-VIFPVBQESA-N -1 1 336.311 2.321 20 0 EEADMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324265633 1333645967 /nfs/dbraw/zinc/64/59/67/1333645967.db2.gz CRYMKZMVJWTBJJ-PRHODGIISA-N -1 1 339.244 2.218 20 0 EEADMM C[C@H]1c2ccccc2OCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609180352 1351879053 /nfs/dbraw/zinc/87/90/53/1351879053.db2.gz LUNFCNHGTSSQNA-JTQLQIEISA-N -1 1 328.401 2.279 20 0 EEADMM C[C@H]1c2ccccc2OCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609180352 1351879055 /nfs/dbraw/zinc/87/90/55/1351879055.db2.gz LUNFCNHGTSSQNA-JTQLQIEISA-N -1 1 328.401 2.279 20 0 EEADMM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609225621 1351901511 /nfs/dbraw/zinc/90/15/11/1351901511.db2.gz RJTYFCIGEHHYTR-UHFFFAOYSA-N -1 1 349.441 2.139 20 0 EEADMM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609225621 1351901514 /nfs/dbraw/zinc/90/15/14/1351901514.db2.gz RJTYFCIGEHHYTR-UHFFFAOYSA-N -1 1 349.441 2.139 20 0 EEADMM CCOC(=O)c1cnn(CC[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609235853 1351904357 /nfs/dbraw/zinc/90/43/57/1351904357.db2.gz CWVVSSMGJZSLMK-NWDGAFQWSA-N -1 1 332.408 2.456 20 0 EEADMM CCCC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001414077015 1334389626 /nfs/dbraw/zinc/38/96/26/1334389626.db2.gz ZZMOSAMAANDXFC-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CO[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001609310804 1351927608 /nfs/dbraw/zinc/92/76/08/1351927608.db2.gz NDXRLASAVKPLLB-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM CO[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001609310804 1351927617 /nfs/dbraw/zinc/92/76/17/1351927617.db2.gz NDXRLASAVKPLLB-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM C[C@@]12CN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375595 1351950346 /nfs/dbraw/zinc/95/03/46/1351950346.db2.gz ODRQQOXEHLVUAH-XOMVMTSMSA-N -1 1 345.410 2.458 20 0 EEADMM C[C@@]12CN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375595 1351950348 /nfs/dbraw/zinc/95/03/48/1351950348.db2.gz ODRQQOXEHLVUAH-XOMVMTSMSA-N -1 1 345.410 2.458 20 0 EEADMM Cc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001609417860 1351968384 /nfs/dbraw/zinc/96/83/84/1351968384.db2.gz MTGUBPHCGNEIOM-UHFFFAOYSA-N -1 1 326.312 2.116 20 0 EEADMM Cc1ccn(CN2CCC[C@@H](CC(C)C)C2)c(=O)c1-c1nnn[n-]1 ZINC001609437952 1351976969 /nfs/dbraw/zinc/97/69/69/1351976969.db2.gz JCTGIUVLQWIBIE-AWEZNQCLSA-N -1 1 330.436 2.052 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 ZINC001609468015 1351988896 /nfs/dbraw/zinc/98/88/96/1351988896.db2.gz DETHZIPSWCXDRS-MRVPVSSYSA-N -1 1 346.347 2.367 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 ZINC001609468015 1351988899 /nfs/dbraw/zinc/98/88/99/1351988899.db2.gz DETHZIPSWCXDRS-MRVPVSSYSA-N -1 1 346.347 2.367 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cn2cnc3ccccc32)no1 ZINC001609466644 1351988911 /nfs/dbraw/zinc/98/89/11/1351988911.db2.gz DZPWWTPZDUEKNA-UHFFFAOYSA-N -1 1 348.326 2.216 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cn2cnc3ccccc32)no1 ZINC001609466644 1351988914 /nfs/dbraw/zinc/98/89/14/1351988914.db2.gz DZPWWTPZDUEKNA-UHFFFAOYSA-N -1 1 348.326 2.216 20 0 EEADMM Cn1ncc(NCc2ccnc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC001609482722 1351993526 /nfs/dbraw/zinc/99/35/26/1351993526.db2.gz PLVURDSGDMQWHN-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM Cn1ncc(NCc2ccnc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC001609482722 1351993528 /nfs/dbraw/zinc/99/35/28/1351993528.db2.gz PLVURDSGDMQWHN-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609546042 1352011420 /nfs/dbraw/zinc/01/14/20/1352011420.db2.gz YCZWKYGILMYSSF-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609546042 1352011423 /nfs/dbraw/zinc/01/14/23/1352011423.db2.gz YCZWKYGILMYSSF-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609555136 1352015050 /nfs/dbraw/zinc/01/50/50/1352015050.db2.gz AIZAVJXTFZTHMI-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609555136 1352015052 /nfs/dbraw/zinc/01/50/52/1352015052.db2.gz AIZAVJXTFZTHMI-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)c(Cl)c1)c1c([O-])cccc1F ZINC001609552305 1352014345 /nfs/dbraw/zinc/01/43/45/1352014345.db2.gz CNGWLNSOXMVPFQ-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCCC[C@@H]1c1ncon1 ZINC001609581683 1352026465 /nfs/dbraw/zinc/02/64/65/1352026465.db2.gz CHCFGVBULIVOGC-SECBINFHSA-N -1 1 345.388 2.069 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCCC[C@@H]1c1ncon1 ZINC001609581683 1352026467 /nfs/dbraw/zinc/02/64/67/1352026467.db2.gz CHCFGVBULIVOGC-SECBINFHSA-N -1 1 345.388 2.069 20 0 EEADMM Cc1cccc(CO[N-]C(=O)[C@@H]2CCCCN2Cc2ccncc2)n1 ZINC001333397231 1336033498 /nfs/dbraw/zinc/03/34/98/1336033498.db2.gz HFPWTNKQQBHQSP-SFHVURJKSA-N -1 1 340.427 2.388 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609617964 1352042439 /nfs/dbraw/zinc/04/24/39/1352042439.db2.gz XVSJHZVZJCYPRW-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609617964 1352042443 /nfs/dbraw/zinc/04/24/43/1352042443.db2.gz XVSJHZVZJCYPRW-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM c1sc(CSc2nnc(C3CC3)n2C2CC2)nc1-c1nnn[n-]1 ZINC001609620611 1352042791 /nfs/dbraw/zinc/04/27/91/1352042791.db2.gz MVEMOGSJNMMOSY-UHFFFAOYSA-N -1 1 346.445 2.419 20 0 EEADMM c1sc(CSc2nnc(C3CC3)n2C2CC2)nc1-c1nn[n-]n1 ZINC001609620611 1352042796 /nfs/dbraw/zinc/04/27/96/1352042796.db2.gz MVEMOGSJNMMOSY-UHFFFAOYSA-N -1 1 346.445 2.419 20 0 EEADMM CC(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001609630204 1352045752 /nfs/dbraw/zinc/04/57/52/1352045752.db2.gz TXCQQKVEFUXLRI-UHFFFAOYSA-N -1 1 334.353 2.092 20 0 EEADMM CC(C)(C)[C@H](NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccs1 ZINC001609654203 1352050879 /nfs/dbraw/zinc/05/08/79/1352050879.db2.gz LOSHQYXMWXAPAS-FDRIWYBQSA-N -1 1 336.457 2.214 20 0 EEADMM C[C@](O)(CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001609784996 1352084866 /nfs/dbraw/zinc/08/48/66/1352084866.db2.gz QRNDSNUAHJSOPX-QAPCUYQASA-N -1 1 329.400 2.439 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc2ccccc21 ZINC001609869556 1352107614 /nfs/dbraw/zinc/10/76/14/1352107614.db2.gz WLLFJGJOGRPWOB-OAHLLOKOSA-N -1 1 340.423 2.390 20 0 EEADMM CCCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC001609982996 1352134340 /nfs/dbraw/zinc/13/43/40/1352134340.db2.gz RBPSWZSMGTUUNY-AWEZNQCLSA-N -1 1 349.431 2.488 20 0 EEADMM CCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C[C@@H]1CCOC1 ZINC001609994303 1352136898 /nfs/dbraw/zinc/13/68/98/1352136898.db2.gz YEKRGJYNCDTCGF-LBPRGKRZSA-N -1 1 330.384 2.407 20 0 EEADMM CCOCCN1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001610036715 1352147202 /nfs/dbraw/zinc/14/72/02/1352147202.db2.gz AQPKHYKAHWFBCZ-UHFFFAOYSA-N -1 1 326.824 2.192 20 0 EEADMM CCc1ccccc1OCCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001610069854 1352155054 /nfs/dbraw/zinc/15/50/54/1352155054.db2.gz FEFUPHJHFMXAKL-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)c(F)c1 ZINC001610077228 1352157315 /nfs/dbraw/zinc/15/73/15/1352157315.db2.gz KICBVEBMJJRAJY-UHFFFAOYSA-N -1 1 343.332 2.489 20 0 EEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)NC(C)(C)C(F)(F)F ZINC001610290791 1352200619 /nfs/dbraw/zinc/20/06/19/1352200619.db2.gz IEJWBCKXIVHIOA-UHFFFAOYSA-N -1 1 347.336 2.074 20 0 EEADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339769 1338681812 /nfs/dbraw/zinc/68/18/12/1338681812.db2.gz OJNUBZLYKTVROI-IRCOFANPSA-N -1 1 348.365 2.050 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)/C=C\c1ccc[nH]1 ZINC000848339702 1338681919 /nfs/dbraw/zinc/68/19/19/1338681919.db2.gz ARGHDSPBELDNGZ-PCQKXGFJSA-N -1 1 329.322 2.086 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)Cc1n[nH]c2c1CCCC2 ZINC001610486048 1352230751 /nfs/dbraw/zinc/23/07/51/1352230751.db2.gz VTBZSRKEXZAXBP-UHFFFAOYSA-N -1 1 329.356 2.182 20 0 EEADMM Cc1oc(CNC[C@@H](O)COc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001610585774 1352249572 /nfs/dbraw/zinc/24/95/72/1352249572.db2.gz HRHXIOMEVQURLL-GFCCVEGCSA-N -1 1 339.775 2.469 20 0 EEADMM O=C([O-])c1ncccc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC001610872889 1352288746 /nfs/dbraw/zinc/28/87/46/1352288746.db2.gz MHVTVYVPZKDTIG-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)c1[nH]nc2c1CCCC2 ZINC001610876870 1352289371 /nfs/dbraw/zinc/28/93/71/1352289371.db2.gz DOJNLMAQPZRQHX-AWEZNQCLSA-N -1 1 332.331 2.280 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)CC(C)C ZINC001430562606 1340257414 /nfs/dbraw/zinc/25/74/14/1340257414.db2.gz JKLPGJNTTHCJIW-ZDUSSCGKSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001431364484 1340563765 /nfs/dbraw/zinc/56/37/65/1340563765.db2.gz ZOCWEUGQYZBPHL-CQSZACIVSA-N -1 1 335.448 2.390 20 0 EEADMM CC(C)C1(C(=O)N(C)C[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001432055063 1340866240 /nfs/dbraw/zinc/86/62/40/1340866240.db2.gz AUUOQCNQDJMXHC-CQSZACIVSA-N -1 1 345.443 2.144 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1c(C)oc(C)c1C ZINC001432645868 1341350982 /nfs/dbraw/zinc/35/09/82/1341350982.db2.gz BJXRRVCCKFLRLG-CYBMUJFWSA-N -1 1 345.399 2.244 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001433012219 1341464743 /nfs/dbraw/zinc/46/47/43/1341464743.db2.gz MJYRCIJXFMCINL-QLFBSQMISA-N -1 1 347.459 2.484 20 0 EEADMM CCCNC(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001433620639 1341640228 /nfs/dbraw/zinc/64/02/28/1341640228.db2.gz LJDJOHQRDHRQEE-UHFFFAOYSA-N -1 1 340.383 2.452 20 0 EEADMM CC[C@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434141312 1341777230 /nfs/dbraw/zinc/77/72/30/1341777230.db2.gz QHZSTJTXNVTRIT-GXTWGEPZSA-N -1 1 333.432 2.238 20 0 EEADMM CCCn1nccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000834297705 1372543226 /nfs/dbraw/zinc/54/32/26/1372543226.db2.gz CSQWJSYDUGAPRL-UHFFFAOYSA-N -1 1 325.166 2.409 20 0 EEADMM C[C@]1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCCS1 ZINC001575779455 1343881459 /nfs/dbraw/zinc/88/14/59/1343881459.db2.gz HNJYRYLLQSQDNR-CYBMUJFWSA-N -1 1 338.462 2.013 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001577300072 1344124110 /nfs/dbraw/zinc/12/41/10/1344124110.db2.gz FQRTYTIZVSEGPM-JTQLQIEISA-N -1 1 341.412 2.110 20 0 EEADMM CCOC(=O)c1cc(F)ccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578253435 1344255457 /nfs/dbraw/zinc/25/54/57/1344255457.db2.gz XCMWGAJBPSVSAQ-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM CCOC(=O)c1cc(F)ccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578253435 1344255463 /nfs/dbraw/zinc/25/54/63/1344255463.db2.gz XCMWGAJBPSVSAQ-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001579596808 1344398196 /nfs/dbraw/zinc/39/81/96/1344398196.db2.gz XWVASDWEZBWRFC-YVEFUNNKSA-N -1 1 343.435 2.174 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001579596808 1344398199 /nfs/dbraw/zinc/39/81/99/1344398199.db2.gz XWVASDWEZBWRFC-YVEFUNNKSA-N -1 1 343.435 2.174 20 0 EEADMM COc1c(C)cc(Cl)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579875332 1344424108 /nfs/dbraw/zinc/42/41/08/1344424108.db2.gz XPAFDIJRHKWGBU-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM COc1c(C)cc(Cl)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579875332 1344424109 /nfs/dbraw/zinc/42/41/09/1344424109.db2.gz XPAFDIJRHKWGBU-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001581175888 1344595073 /nfs/dbraw/zinc/59/50/73/1344595073.db2.gz HKWQOPSRKUXSSR-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cscc1-c1nn[nH]n1 ZINC001581739608 1344658396 /nfs/dbraw/zinc/65/83/96/1344658396.db2.gz NLEBMSCWAICDSD-UHFFFAOYSA-N -1 1 342.287 2.078 20 0 EEADMM O=C(CCc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([O-])c(F)c1F ZINC001582059375 1344697073 /nfs/dbraw/zinc/69/70/73/1344697073.db2.gz BNNNANUNIDCMNW-UHFFFAOYSA-N -1 1 345.309 2.422 20 0 EEADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(F)c1[O-] ZINC001582133044 1344704906 /nfs/dbraw/zinc/70/49/06/1344704906.db2.gz ODVPOXSTDQMIOT-UHFFFAOYSA-N -1 1 345.359 2.442 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CC[C@H](O)c1ccccc1 ZINC001582805929 1344794107 /nfs/dbraw/zinc/79/41/07/1344794107.db2.gz CMVQPONRBULMAD-KRWDZBQOSA-N -1 1 347.378 2.305 20 0 EEADMM CC(=Cc1ccncc1)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001588772373 1348933793 /nfs/dbraw/zinc/93/37/93/1348933793.db2.gz NUAIJNTWIAWBDR-CMDGGOBGSA-N -1 1 341.400 2.093 20 0 EEADMM CC(=Cc1ccncc1)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588772373 1348933796 /nfs/dbraw/zinc/93/37/96/1348933796.db2.gz NUAIJNTWIAWBDR-CMDGGOBGSA-N -1 1 341.400 2.093 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588772688 1348934035 /nfs/dbraw/zinc/93/40/35/1348934035.db2.gz PYKKOWLFJMUJEP-FNORWQNLSA-N -1 1 347.791 2.414 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1)[C@@H]1C[C@H]1C ZINC001588802203 1348937995 /nfs/dbraw/zinc/93/79/95/1348937995.db2.gz NQYZRUYCGUVMRA-PIGZYNQJSA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1)[C@@H]1C[C@H]1C ZINC001588802203 1348937997 /nfs/dbraw/zinc/93/79/97/1348937997.db2.gz NQYZRUYCGUVMRA-PIGZYNQJSA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001588882686 1348941428 /nfs/dbraw/zinc/94/14/28/1348941428.db2.gz PXEUHPLJIYFKQO-SECBINFHSA-N -1 1 341.327 2.336 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001589372593 1348987710 /nfs/dbraw/zinc/98/77/10/1348987710.db2.gz UEXFTFIVAKROHY-OCCSQVGLSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001589372593 1348987714 /nfs/dbraw/zinc/98/77/14/1348987714.db2.gz UEXFTFIVAKROHY-OCCSQVGLSA-N -1 1 326.404 2.116 20 0 EEADMM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(=O)[nH]1 ZINC001589768307 1349033549 /nfs/dbraw/zinc/03/35/49/1349033549.db2.gz ZTQOIGHRLOEYBM-UHFFFAOYSA-N -1 1 340.343 2.049 20 0 EEADMM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001589796770 1349045881 /nfs/dbraw/zinc/04/58/81/1349045881.db2.gz OJPALFGZHDTHGH-SECBINFHSA-N -1 1 341.412 2.109 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cc(Cl)cc2c1OCC2 ZINC001589987490 1349094774 /nfs/dbraw/zinc/09/47/74/1349094774.db2.gz LYMSLEOZMQFHFJ-QMMMGPOBSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cc(Cl)cc2c1OCC2 ZINC001589987490 1349094779 /nfs/dbraw/zinc/09/47/79/1349094779.db2.gz LYMSLEOZMQFHFJ-QMMMGPOBSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@H](O)[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001589998755 1349100587 /nfs/dbraw/zinc/10/05/87/1349100587.db2.gz YYBYKKHPPLYMPJ-ZUZCIYMTSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](O)[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001589998755 1349100593 /nfs/dbraw/zinc/10/05/93/1349100593.db2.gz YYBYKKHPPLYMPJ-ZUZCIYMTSA-N -1 1 337.387 2.068 20 0 EEADMM CC1(C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]2CCO[C@H]21 ZINC001590075989 1349140841 /nfs/dbraw/zinc/14/08/41/1349140841.db2.gz AFRGIMQYRMGOJT-LPBLVHEISA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)CN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H]1c1cccs1 ZINC001590106251 1349157608 /nfs/dbraw/zinc/15/76/08/1349157608.db2.gz HXDXTDHYTCIFML-CYBMUJFWSA-N -1 1 342.428 2.131 20 0 EEADMM C[C@H]1CC(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)C[C@H](C)C1 ZINC001590186861 1349187922 /nfs/dbraw/zinc/18/79/22/1349187922.db2.gz GKELRIWWIUTTSV-NXEZZACHSA-N -1 1 349.464 2.195 20 0 EEADMM C[C@H]1CC(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)C[C@H](C)C1 ZINC001590186861 1349187927 /nfs/dbraw/zinc/18/79/27/1349187927.db2.gz GKELRIWWIUTTSV-NXEZZACHSA-N -1 1 349.464 2.195 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590226220 1349211307 /nfs/dbraw/zinc/21/13/07/1349211307.db2.gz MQDAWQBAPDBGLE-NEPJUHHUSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590226220 1349211314 /nfs/dbraw/zinc/21/13/14/1349211314.db2.gz MQDAWQBAPDBGLE-NEPJUHHUSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590339597 1349275121 /nfs/dbraw/zinc/27/51/21/1349275121.db2.gz WHGYVOSMMUBBEB-SECBINFHSA-N -1 1 341.400 2.474 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590339597 1349275127 /nfs/dbraw/zinc/27/51/27/1349275127.db2.gz WHGYVOSMMUBBEB-SECBINFHSA-N -1 1 341.400 2.474 20 0 EEADMM CCC(C)(C)C(=O)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001590371492 1349288140 /nfs/dbraw/zinc/28/81/40/1349288140.db2.gz BPAVGKUNAAMOSO-UHFFFAOYSA-N -1 1 325.372 2.187 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590421195 1349317393 /nfs/dbraw/zinc/31/73/93/1349317393.db2.gz HLRVDSYVWMBGQL-LURJTMIESA-N -1 1 349.342 2.484 20 0 EEADMM CC[C@@H](CC(F)(F)F)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590421195 1349317397 /nfs/dbraw/zinc/31/73/97/1349317397.db2.gz HLRVDSYVWMBGQL-LURJTMIESA-N -1 1 349.342 2.484 20 0 EEADMM CC[C@@H](CSc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590449243 1349330134 /nfs/dbraw/zinc/33/01/34/1349330134.db2.gz ILRBBFMOIJYVCV-NSHDSACASA-N -1 1 327.417 2.061 20 0 EEADMM CC[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC001590477211 1349349818 /nfs/dbraw/zinc/34/98/18/1349349818.db2.gz QAIXUCOJVJDRTC-DGCLKSJQSA-N -1 1 341.375 2.022 20 0 EEADMM CCC1(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)CCC(F)(F)CC1 ZINC001590488492 1349352816 /nfs/dbraw/zinc/35/28/16/1349352816.db2.gz KCYOZXOUHYXBMO-UHFFFAOYSA-N -1 1 339.350 2.442 20 0 EEADMM CCCCn1ncc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)c1C ZINC001590615844 1349376434 /nfs/dbraw/zinc/37/64/34/1349376434.db2.gz GWWYTYJYSHWJIU-UHFFFAOYSA-N -1 1 327.396 2.268 20 0 EEADMM CCCCn1ncc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)c1C ZINC001590615844 1349376438 /nfs/dbraw/zinc/37/64/38/1349376438.db2.gz GWWYTYJYSHWJIU-UHFFFAOYSA-N -1 1 327.396 2.268 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1F ZINC001590992409 1349427855 /nfs/dbraw/zinc/42/78/55/1349427855.db2.gz LGIRQYNLLWJQQK-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1F ZINC001590992409 1349427863 /nfs/dbraw/zinc/42/78/63/1349427863.db2.gz LGIRQYNLLWJQQK-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN1CC(C)(C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC001591168558 1349443867 /nfs/dbraw/zinc/44/38/67/1349443867.db2.gz OZZRUYNVEWHFRM-UHFFFAOYSA-N -1 1 349.398 2.137 20 0 EEADMM CN1CC(C)(C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC001591168558 1349443869 /nfs/dbraw/zinc/44/38/69/1349443869.db2.gz OZZRUYNVEWHFRM-UHFFFAOYSA-N -1 1 349.398 2.137 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591620289 1349516764 /nfs/dbraw/zinc/51/67/64/1349516764.db2.gz KIZOWPFOLOEDBM-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1ccc(OC)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591620289 1349516770 /nfs/dbraw/zinc/51/67/70/1349516770.db2.gz KIZOWPFOLOEDBM-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cccc2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001591643274 1349520308 /nfs/dbraw/zinc/52/03/08/1349520308.db2.gz GFOROHSAPBLYQC-UHFFFAOYSA-N -1 1 335.371 2.063 20 0 EEADMM COc1cccc2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001591643274 1349520312 /nfs/dbraw/zinc/52/03/12/1349520312.db2.gz GFOROHSAPBLYQC-UHFFFAOYSA-N -1 1 335.371 2.063 20 0 EEADMM COc1ccccc1C[C@H](C)N(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591653721 1349525844 /nfs/dbraw/zinc/52/58/44/1349525844.db2.gz UYCLYURBNXICRH-NSHDSACASA-N -1 1 339.403 2.041 20 0 EEADMM COc1ccccc1C[C@H](C)N(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591653721 1349525857 /nfs/dbraw/zinc/52/58/57/1349525857.db2.gz UYCLYURBNXICRH-NSHDSACASA-N -1 1 339.403 2.041 20 0 EEADMM COc1ccccc1C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001591653609 1349526124 /nfs/dbraw/zinc/52/61/24/1349526124.db2.gz RNPIPYPSSGVDGC-CYBMUJFWSA-N -1 1 339.403 2.345 20 0 EEADMM COc1ccccc1C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001591653609 1349526130 /nfs/dbraw/zinc/52/61/30/1349526130.db2.gz RNPIPYPSSGVDGC-CYBMUJFWSA-N -1 1 339.403 2.345 20 0 EEADMM Cc1cc(N[C@@H](C)c2cccc(-n3cccn3)c2)cc(-c2nnn[n-]2)n1 ZINC001592035131 1349586332 /nfs/dbraw/zinc/58/63/32/1349586332.db2.gz RZCPFFBEMFVQGY-ZDUSSCGKSA-N -1 1 346.398 2.351 20 0 EEADMM Cc1cc(N[C@@H](C)c2cccc(-n3cccn3)c2)cc(-c2nn[n-]n2)n1 ZINC001592035131 1349586335 /nfs/dbraw/zinc/58/63/35/1349586335.db2.gz RZCPFFBEMFVQGY-ZDUSSCGKSA-N -1 1 346.398 2.351 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1F ZINC001592068192 1349587760 /nfs/dbraw/zinc/58/77/60/1349587760.db2.gz VLQHSOMDTVCKTI-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1F ZINC001592068192 1349587762 /nfs/dbraw/zinc/58/77/62/1349587762.db2.gz VLQHSOMDTVCKTI-SNVBAGLBSA-N -1 1 326.335 2.200 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(F)c2)cc1 ZINC001592196005 1349603502 /nfs/dbraw/zinc/60/35/02/1349603502.db2.gz WCXIPHUNPQMXTQ-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1csc(-c3nn[n-]n3)c1)CC2 ZINC001592204158 1349609008 /nfs/dbraw/zinc/60/90/08/1349609008.db2.gz REKFCITYZFXHIW-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1csc(C2(NC(=O)c3cc(-c4nnn[n-]4)oc3C)CCC2)n1 ZINC001592313460 1349619439 /nfs/dbraw/zinc/61/94/39/1349619439.db2.gz SSSRXHFRNIAJDE-UHFFFAOYSA-N -1 1 344.400 2.342 20 0 EEADMM Cc1csc(C2(NC(=O)c3cc(-c4nn[n-]n4)oc3C)CCC2)n1 ZINC001592313460 1349619442 /nfs/dbraw/zinc/61/94/42/1349619442.db2.gz SSSRXHFRNIAJDE-UHFFFAOYSA-N -1 1 344.400 2.342 20 0 EEADMM Cc1csc([C@H]2CCN(c3nc(-c4nn[n-]n4)ccc3C)C2)n1 ZINC001592313054 1349619591 /nfs/dbraw/zinc/61/95/91/1349619591.db2.gz OYIAZSXBKFKZOI-NSHDSACASA-N -1 1 327.417 2.329 20 0 EEADMM Cc1nsc(NC(=O)[C@]2(C)CCc3ccccc32)c1-c1nnn[n-]1 ZINC001592479789 1349635576 /nfs/dbraw/zinc/63/55/76/1349635576.db2.gz PRPHCENPTRSQKL-MRXNPFEDSA-N -1 1 340.412 2.474 20 0 EEADMM Cc1nsc(NC(=O)[C@]2(C)CCc3ccccc32)c1-c1nn[n-]n1 ZINC001592479789 1349635580 /nfs/dbraw/zinc/63/55/80/1349635580.db2.gz PRPHCENPTRSQKL-MRXNPFEDSA-N -1 1 340.412 2.474 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3cccs3)C2)c1-c1nn[n-]n1 ZINC001592476570 1349635861 /nfs/dbraw/zinc/63/58/61/1349635861.db2.gz VXNVZIHFXWDSJY-SECBINFHSA-N -1 1 334.430 2.271 20 0 EEADMM Cc1nsc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1-c1nnn[n-]1 ZINC001592478304 1349635976 /nfs/dbraw/zinc/63/59/76/1349635976.db2.gz AXSWFPXYUQBFEF-CBLAIPOGSA-N -1 1 336.446 2.244 20 0 EEADMM Cc1nsc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1-c1nn[n-]n1 ZINC001592478304 1349635977 /nfs/dbraw/zinc/63/59/77/1349635977.db2.gz AXSWFPXYUQBFEF-CBLAIPOGSA-N -1 1 336.446 2.244 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592483343 1349636033 /nfs/dbraw/zinc/63/60/33/1349636033.db2.gz KBGMRKQNIVGHRD-UHFFFAOYSA-N -1 1 347.379 2.135 20 0 EEADMM Cc1nsc(NC(=O)NCCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592483343 1349636035 /nfs/dbraw/zinc/63/60/35/1349636035.db2.gz KBGMRKQNIVGHRD-UHFFFAOYSA-N -1 1 347.379 2.135 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001592494940 1349637208 /nfs/dbraw/zinc/63/72/08/1349637208.db2.gz GKQTWFIHLQVVMK-AWEZNQCLSA-N -1 1 337.383 2.398 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC001592494940 1349637209 /nfs/dbraw/zinc/63/72/09/1349637209.db2.gz GKQTWFIHLQVVMK-AWEZNQCLSA-N -1 1 337.383 2.398 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC001592496526 1349637250 /nfs/dbraw/zinc/63/72/50/1349637250.db2.gz GHNBWXJFWXIIDV-ZDUSSCGKSA-N -1 1 338.371 2.095 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC001592496526 1349637251 /nfs/dbraw/zinc/63/72/51/1349637251.db2.gz GHNBWXJFWXIIDV-ZDUSSCGKSA-N -1 1 338.371 2.095 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1C[C@@]1(C)Br ZINC001592504019 1349640206 /nfs/dbraw/zinc/64/02/06/1349640206.db2.gz QCEPHSVMWDXSIF-JMCQJSRRSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1C[C@@]1(C)Br ZINC001592504019 1349640207 /nfs/dbraw/zinc/64/02/07/1349640207.db2.gz QCEPHSVMWDXSIF-JMCQJSRRSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@]1(O)CCCC(C)(C)C1 ZINC001592504030 1349640450 /nfs/dbraw/zinc/64/04/50/1349640450.db2.gz QOXIGDOBQYCMJR-INIZCTEOSA-N -1 1 334.376 2.256 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@]1(O)CCCC(C)(C)C1 ZINC001592504030 1349640452 /nfs/dbraw/zinc/64/04/52/1349640452.db2.gz QOXIGDOBQYCMJR-INIZCTEOSA-N -1 1 334.376 2.256 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccn(C2CCCC2)n1 ZINC001592504053 1349640543 /nfs/dbraw/zinc/64/05/43/1349640543.db2.gz RRWWWJZDPYFPCX-UHFFFAOYSA-N -1 1 342.359 2.437 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccn(C2CCCC2)n1 ZINC001592504053 1349640546 /nfs/dbraw/zinc/64/05/46/1349640546.db2.gz RRWWWJZDPYFPCX-UHFFFAOYSA-N -1 1 342.359 2.437 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C2CCC1CC2 ZINC001592505214 1349642626 /nfs/dbraw/zinc/64/26/26/1349642626.db2.gz VFKVHZSLPZAILU-UHFFFAOYSA-N -1 1 338.371 2.326 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C2CCC1CC2 ZINC001592505214 1349642627 /nfs/dbraw/zinc/64/26/27/1349642627.db2.gz VFKVHZSLPZAILU-UHFFFAOYSA-N -1 1 338.371 2.326 20 0 EEADMM Clc1nc(N2CCC[C@H]2[C@@H]2CCCO2)sc1-c1nnn[n-]1 ZINC001592540409 1349652960 /nfs/dbraw/zinc/65/29/60/1349652960.db2.gz KEGUQKSJFSMQQV-YUMQZZPRSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nc(N2CCC[C@H]2[C@@H]2CCCO2)sc1-c1nn[n-]n1 ZINC001592540409 1349652963 /nfs/dbraw/zinc/65/29/63/1349652963.db2.gz KEGUQKSJFSMQQV-YUMQZZPRSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1sc(NCc2cn3ccsc3n2)nc1-c1nn[n-]n1 ZINC001592542677 1349653714 /nfs/dbraw/zinc/65/37/14/1349653714.db2.gz HIICCKUEYDCCSS-UHFFFAOYSA-N -1 1 338.809 2.298 20 0 EEADMM Clc1sc(NCC2(Br)CC2)nc1-c1nn[n-]n1 ZINC001592544402 1349654713 /nfs/dbraw/zinc/65/47/13/1349654713.db2.gz WKWOPZCXFURFTJ-UHFFFAOYSA-N -1 1 335.618 2.316 20 0 EEADMM FC(F)(F)[C@@H](C[C@@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)o1 ZINC001592612279 1349669760 /nfs/dbraw/zinc/66/97/60/1349669760.db2.gz CVTLWYJQOFSYNP-GZMMTYOYSA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)[C@@H](C[C@@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)o1 ZINC001592612279 1349669763 /nfs/dbraw/zinc/66/97/63/1349669763.db2.gz CVTLWYJQOFSYNP-GZMMTYOYSA-N -1 1 331.298 2.049 20 0 EEADMM FC(F)(F)c1cccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001592621946 1349676848 /nfs/dbraw/zinc/67/68/48/1349676848.db2.gz HDODLABYMYEYPD-UHFFFAOYSA-N -1 1 333.277 2.383 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592631301 1349682632 /nfs/dbraw/zinc/68/26/32/1349682632.db2.gz WGUHWZWUNPCKBZ-NSHDSACASA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592631301 1349682636 /nfs/dbraw/zinc/68/26/36/1349682636.db2.gz WGUHWZWUNPCKBZ-NSHDSACASA-N -1 1 331.286 2.187 20 0 EEADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001592949934 1349729914 /nfs/dbraw/zinc/72/99/14/1349729914.db2.gz PBFZEKSORPXOHC-OAHLLOKOSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@@H](C1CCC1)C1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001592949934 1349729920 /nfs/dbraw/zinc/72/99/20/1349729920.db2.gz PBFZEKSORPXOHC-OAHLLOKOSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC001593146163 1349742568 /nfs/dbraw/zinc/74/25/68/1349742568.db2.gz IBPFUWTUUQMHFJ-UHFFFAOYSA-N -1 1 349.398 2.275 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(C2CC2)[nH]c1C1CC1 ZINC001593146163 1349742571 /nfs/dbraw/zinc/74/25/71/1349742571.db2.gz IBPFUWTUUQMHFJ-UHFFFAOYSA-N -1 1 349.398 2.275 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593180867 1349744169 /nfs/dbraw/zinc/74/41/69/1349744169.db2.gz SXKJZVFGRSJPHF-WCQYABFASA-N -1 1 340.774 2.201 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(-c2nn[n-]n2)o1 ZINC001593212552 1349747847 /nfs/dbraw/zinc/74/78/47/1349747847.db2.gz OZSBPMASJCTRIB-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Oc2cccnc2)cc1 ZINC001593259547 1349753763 /nfs/dbraw/zinc/75/37/63/1349753763.db2.gz BTHHFQKRPCAGDG-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001593292386 1349767693 /nfs/dbraw/zinc/76/76/93/1349767693.db2.gz FCEKAKMMKBCFOS-UHFFFAOYSA-N -1 1 335.367 2.150 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001593292386 1349767698 /nfs/dbraw/zinc/76/76/98/1349767698.db2.gz FCEKAKMMKBCFOS-UHFFFAOYSA-N -1 1 335.367 2.150 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1coc2c1C(=O)CCC2 ZINC001593299709 1349773085 /nfs/dbraw/zinc/77/30/85/1349773085.db2.gz YTRDVDMEBALEOJ-UHFFFAOYSA-N -1 1 344.352 2.397 20 0 EEADMM O=C(OCc1noc2c1CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001593305832 1349775729 /nfs/dbraw/zinc/77/57/29/1349775729.db2.gz FMLNUXUWXGOEPS-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1noc2c1CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001593305832 1349775734 /nfs/dbraw/zinc/77/57/34/1349775734.db2.gz FMLNUXUWXGOEPS-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=Cc1cc2c(cc1OCc1ccc(-c3nn[n-]n3)s1)OCO2 ZINC001593415248 1349798946 /nfs/dbraw/zinc/79/89/46/1349798946.db2.gz DTWAGXZZRVJAIX-UHFFFAOYSA-N -1 1 330.325 2.048 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCC[C@H]1CC1CCCCC1 ZINC001593492847 1349818236 /nfs/dbraw/zinc/81/82/36/1349818236.db2.gz QPCSFBMSIRCIRQ-HNNXBMFYSA-N -1 1 342.447 2.421 20 0 EEADMM OCC[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001593530270 1349832397 /nfs/dbraw/zinc/83/23/97/1349832397.db2.gz YPDABWHKSLNWEX-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM OCC[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001593530270 1349832404 /nfs/dbraw/zinc/83/24/04/1349832404.db2.gz YPDABWHKSLNWEX-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CC1 ZINC001593533248 1349833790 /nfs/dbraw/zinc/83/37/90/1349833790.db2.gz ORMPRVDCHAYLCE-CZMCAQCFSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CC1 ZINC001593533248 1349833794 /nfs/dbraw/zinc/83/37/94/1349833794.db2.gz ORMPRVDCHAYLCE-CZMCAQCFSA-N -1 1 342.325 2.244 20 0 EEADMM c1c(CSc2cccnc2-c2nnn[n-]2)nnn1-c1ccccc1 ZINC001593569283 1349854437 /nfs/dbraw/zinc/85/44/37/1349854437.db2.gz BCABAKMXMPWZCI-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1c(CSc2cccnc2-c2nn[n-]n2)nnn1-c1ccccc1 ZINC001593569283 1349854440 /nfs/dbraw/zinc/85/44/40/1349854440.db2.gz BCABAKMXMPWZCI-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1cncc(C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)c1 ZINC001593587006 1349865288 /nfs/dbraw/zinc/86/52/88/1349865288.db2.gz AAIPQIAHVGECGY-AWEZNQCLSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)c1 ZINC001593587006 1349865293 /nfs/dbraw/zinc/86/52/93/1349865293.db2.gz AAIPQIAHVGECGY-AWEZNQCLSA-N -1 1 336.403 2.265 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1O ZINC001599360965 1349947395 /nfs/dbraw/zinc/94/73/95/1349947395.db2.gz YYRCVVSRMMAAJI-UHFFFAOYSA-N -1 1 343.295 2.334 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCCN(c3ncccc3F)CC2)n1C ZINC001599985367 1349949687 /nfs/dbraw/zinc/94/96/87/1349949687.db2.gz MOQANLJLTUZFHO-UHFFFAOYSA-N -1 1 346.406 2.278 20 0 EEADMM Cc1cc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[nH]c1C(=O)[O-] ZINC001600204213 1349992377 /nfs/dbraw/zinc/99/23/77/1349992377.db2.gz CQIUGRFYEGPEOH-HNNXBMFYSA-N -1 1 345.374 2.051 20 0 EEADMM Cc1cc(NC(=O)[C@@H]2C[C@@H](C)Cc3cn[nH]c32)nc(C)c1C(=O)[O-] ZINC001600251666 1350002127 /nfs/dbraw/zinc/00/21/27/1350002127.db2.gz FQQBOCRTAZGSGJ-QPUJVOFHSA-N -1 1 328.372 2.424 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1F ZINC001600446503 1350053591 /nfs/dbraw/zinc/05/35/91/1350053591.db2.gz XLFOKXSLODDNPH-WHOFXGATSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001600458845 1350057248 /nfs/dbraw/zinc/05/72/48/1350057248.db2.gz BEVGSLFXHQYSGA-CQSZACIVSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc(OCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC001600469413 1350059160 /nfs/dbraw/zinc/05/91/60/1350059160.db2.gz LAMRRKVMVTWWRN-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1cccc(CN2CCN(Cc3ccc(C(=O)[O-])n3C)CC2)c1 ZINC001600533431 1350075586 /nfs/dbraw/zinc/07/55/86/1350075586.db2.gz RBUZMLGISXWARR-UHFFFAOYSA-N -1 1 327.428 2.350 20 0 EEADMM Cc1ccccc1C(C)(C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600567912 1350084812 /nfs/dbraw/zinc/08/48/12/1350084812.db2.gz OLFHICMKUTYVIO-HNNXBMFYSA-N -1 1 332.444 2.280 20 0 EEADMM Cc1nc2scc(C3CC3)n2c1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600731580 1350123443 /nfs/dbraw/zinc/12/34/43/1350123443.db2.gz XKOPKDVAMFLXTF-HNNXBMFYSA-N -1 1 349.456 2.239 20 0 EEADMM Cc1csc2nc(C)c(CN(CCC(=O)[O-])C[C@H]3CCCO3)n12 ZINC001600731606 1350123504 /nfs/dbraw/zinc/12/35/04/1350123504.db2.gz YTMXHFNVUIMGBA-CYBMUJFWSA-N -1 1 337.445 2.468 20 0 EEADMM Cc1nccnc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001600756891 1350129907 /nfs/dbraw/zinc/12/99/07/1350129907.db2.gz HBJCAXROHOAWEE-ZDUSSCGKSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1nc([C@H](C)NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001600792664 1350138426 /nfs/dbraw/zinc/13/84/26/1350138426.db2.gz QKRLQTVDODQOPW-GXFFZTMASA-N -1 1 345.403 2.325 20 0 EEADMM Cc1nnc(S[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])[nH]1 ZINC001600798954 1350140121 /nfs/dbraw/zinc/14/01/21/1350140121.db2.gz KODIIBHRADBUGW-ZCFIWIBFSA-N -1 1 326.403 2.301 20 0 EEADMM Cc1n[nH]c(S[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])n1 ZINC001600798954 1350140123 /nfs/dbraw/zinc/14/01/23/1350140123.db2.gz KODIIBHRADBUGW-ZCFIWIBFSA-N -1 1 326.403 2.301 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600858527 1350153805 /nfs/dbraw/zinc/15/38/05/1350153805.db2.gz XTXDXMKBXGEEGC-ZDUSSCGKSA-N -1 1 344.411 2.291 20 0 EEADMM N[C@H](Cc1cc2ccccc2o1)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601176369 1350225701 /nfs/dbraw/zinc/22/57/01/1350225701.db2.gz PBEIQGAMBQWAQS-CRNXPOROSA-N -1 1 342.395 2.014 20 0 EEADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)NCCC1=CCCCC1 ZINC001601323543 1350257084 /nfs/dbraw/zinc/25/70/84/1350257084.db2.gz IKNCEZYTXMNUMZ-QGZVFWFLSA-N -1 1 330.428 2.279 20 0 EEADMM O=C([O-])c1ccc(C(=O)COC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC001601375540 1350269839 /nfs/dbraw/zinc/26/98/39/1350269839.db2.gz PSXFRAVOCPSBJI-UHFFFAOYSA-N -1 1 338.319 2.230 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001601568347 1350308843 /nfs/dbraw/zinc/30/88/43/1350308843.db2.gz NHIDWAOTFPFJHF-GOSISDBHSA-N -1 1 347.374 2.407 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001601660386 1350330905 /nfs/dbraw/zinc/33/09/05/1350330905.db2.gz UVULOYUKJIXVGT-DOMZBBRYSA-N -1 1 332.331 2.208 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2O)C1 ZINC001601765168 1350358878 /nfs/dbraw/zinc/35/88/78/1350358878.db2.gz OGUJCOKBTCDZSS-NXEZZACHSA-N -1 1 349.770 2.106 20 0 EEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H](CCF)C1 ZINC001601867542 1350385585 /nfs/dbraw/zinc/38/55/85/1350385585.db2.gz XSLBFHHRWDTKPO-WMLDXEAASA-N -1 1 348.418 2.096 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1cccc(Cl)c1 ZINC001601900160 1350392871 /nfs/dbraw/zinc/39/28/71/1350392871.db2.gz UHZBVVJHMLAZFX-DGCLKSJQSA-N -1 1 348.790 2.210 20 0 EEADMM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001602059900 1350429544 /nfs/dbraw/zinc/42/95/44/1350429544.db2.gz OFDNGACOZNZQQR-UHFFFAOYSA-N -1 1 336.351 2.199 20 0 EEADMM O=C([O-])c1cc(CN[C@H]2c3ccccc3C[C@@H]2O)n2c1CCCC2 ZINC001602259379 1350479951 /nfs/dbraw/zinc/47/99/51/1350479951.db2.gz UKUOLTIDTUPJIA-ROUUACIJSA-N -1 1 326.396 2.271 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC001602401819 1350510932 /nfs/dbraw/zinc/51/09/32/1350510932.db2.gz AWEWSRAZGWXOGV-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1 ZINC001602402311 1350511088 /nfs/dbraw/zinc/51/10/88/1350511088.db2.gz RKAPFDRNIXZTIE-UHFFFAOYSA-N -1 1 335.366 2.190 20 0 EEADMM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc3c(s1)CCNC3)CC2 ZINC001602423470 1350515814 /nfs/dbraw/zinc/51/58/14/1350515814.db2.gz VEZARRQTBIXJHH-UHFFFAOYSA-N -1 1 328.393 2.295 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CCc3ccc(F)cc3F)C2)nn1 ZINC001602495462 1350531573 /nfs/dbraw/zinc/53/15/73/1350531573.db2.gz SQIPECPXOAOCSD-ZDUSSCGKSA-N -1 1 336.342 2.134 20 0 EEADMM O=C([O-])c1cnc(CNCCNc2ccc(C(F)(F)F)cn2)s1 ZINC001602523415 1350538368 /nfs/dbraw/zinc/53/83/68/1350538368.db2.gz OABMFWQULDQNNZ-UHFFFAOYSA-N -1 1 346.334 2.457 20 0 EEADMM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C1CCN(C2CC2)CC1 ZINC001603101733 1350640631 /nfs/dbraw/zinc/64/06/31/1350640631.db2.gz AEEXOEOVYLDCDR-UHFFFAOYSA-N -1 1 331.368 2.367 20 0 EEADMM CC(C)(C)c1nc(CC(=O)OCc2ccc(-c3nnn[n-]3)o2)cs1 ZINC001603124031 1350646543 /nfs/dbraw/zinc/64/65/43/1350646543.db2.gz JGLRCRNZAMERTC-UHFFFAOYSA-N -1 1 347.400 2.500 20 0 EEADMM CC(C)(C)c1nc(CC(=O)OCc2ccc(-c3nn[n-]n3)o2)cs1 ZINC001603124031 1350646545 /nfs/dbraw/zinc/64/65/45/1350646545.db2.gz JGLRCRNZAMERTC-UHFFFAOYSA-N -1 1 347.400 2.500 20 0 EEADMM C[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(Cl)s1 ZINC001603173551 1350655525 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CC(C)COc1ccccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001603829312 1350777949 /nfs/dbraw/zinc/77/79/49/1350777949.db2.gz JBEQZMKQSHUGKR-HNNXBMFYSA-N -1 1 344.415 2.458 20 0 EEADMM C[C@H]1C(=O)Nc2ccccc2CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001603830265 1350778374 /nfs/dbraw/zinc/77/83/74/1350778374.db2.gz HIYNRQDYHOJFFG-JTQLQIEISA-N -1 1 340.412 2.271 20 0 EEADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603844478 1350779882 /nfs/dbraw/zinc/77/98/82/1350779882.db2.gz FMTIXXWSSIDGRP-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603844478 1350779885 /nfs/dbraw/zinc/77/98/85/1350779885.db2.gz FMTIXXWSSIDGRP-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001603868221 1350786853 /nfs/dbraw/zinc/78/68/53/1350786853.db2.gz SZVKFOWZTVTVSD-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001603868221 1350786859 /nfs/dbraw/zinc/78/68/59/1350786859.db2.gz SZVKFOWZTVTVSD-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2cccnc2)N(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001603867741 1350786981 /nfs/dbraw/zinc/78/69/81/1350786981.db2.gz KISOROSXECDQSB-ZWNOBZJWSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@@H]1C[C@H](c2cccnc2)N(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001603867741 1350786986 /nfs/dbraw/zinc/78/69/86/1350786986.db2.gz KISOROSXECDQSB-ZWNOBZJWSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@H]1C[C@H](c2cccnc2)N(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001603867739 1350787682 /nfs/dbraw/zinc/78/76/82/1350787682.db2.gz KISOROSXECDQSB-GXFFZTMASA-N -1 1 327.417 2.301 20 0 EEADMM C[C@H]1C[C@H](c2cccnc2)N(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001603867739 1350787686 /nfs/dbraw/zinc/78/76/86/1350787686.db2.gz KISOROSXECDQSB-GXFFZTMASA-N -1 1 327.417 2.301 20 0 EEADMM C[C@@H]1CC[C@@]2(CCN(C(=O)NCc3nc(-c4nnn[n-]4)cs3)C2)C1 ZINC001603881329 1350790550 /nfs/dbraw/zinc/79/05/50/1350790550.db2.gz LBVMWMFSWKDBJD-MEBBXXQBSA-N -1 1 347.448 2.045 20 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/nfs/dbraw/zinc/85/83/26/1350858326.db2.gz JPYZUYSUQNQCLZ-JTQLQIEISA-N -1 1 341.462 2.129 20 0 EEADMM CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001604102927 1350858329 /nfs/dbraw/zinc/85/83/29/1350858329.db2.gz JPYZUYSUQNQCLZ-JTQLQIEISA-N -1 1 341.462 2.129 20 0 EEADMM CC/C=C(/C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604117576 1350863971 /nfs/dbraw/zinc/86/39/71/1350863971.db2.gz UXPFVNVQHGBMAN-GWZUUTHWSA-N -1 1 347.448 2.001 20 0 EEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001604151883 1350875667 /nfs/dbraw/zinc/87/56/67/1350875667.db2.gz ANZBDPAAYZLVAB-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM CCC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001604151883 1350875670 /nfs/dbraw/zinc/87/56/70/1350875670.db2.gz ANZBDPAAYZLVAB-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM C[C@@H](CN(Cc1ccccc1)C(=O)CCN1CC[C@H](F)C1)C(=O)[O-] ZINC001604160721 1350879880 /nfs/dbraw/zinc/87/98/80/1350879880.db2.gz GKGKLCVTPGECAY-HOCLYGCPSA-N -1 1 336.407 2.170 20 0 EEADMM CCN(c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C)C1CC(C)(C)C1 ZINC001604334466 1350918341 /nfs/dbraw/zinc/91/83/41/1350918341.db2.gz DSQMAPVMFYSACT-UHFFFAOYSA-N -1 1 342.407 2.270 20 0 EEADMM CCN(c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C)C1CC(C)(C)C1 ZINC001604334466 1350918342 /nfs/dbraw/zinc/91/83/42/1350918342.db2.gz DSQMAPVMFYSACT-UHFFFAOYSA-N -1 1 342.407 2.270 20 0 EEADMM C[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1OCC(=O)[O-] ZINC001604346660 1350921034 /nfs/dbraw/zinc/92/10/34/1350921034.db2.gz MUPZUILYKUTQGH-LBPRGKRZSA-N -1 1 328.368 2.100 20 0 EEADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc(NS(C)(=O)=O)c1 ZINC001604347012 1350921178 /nfs/dbraw/zinc/92/11/78/1350921178.db2.gz XFQPJZBLLURTMR-LLVKDONJSA-N -1 1 349.412 2.002 20 0 EEADMM CCOC(=O)C1(CNc2ccc(C)c(-c3nnn[n-]3)n2)CCCC1 ZINC001604367331 1350924546 /nfs/dbraw/zinc/92/45/46/1350924546.db2.gz KUFHMPWJBPMILN-UHFFFAOYSA-N -1 1 330.392 2.106 20 0 EEADMM CCOC(=O)C1(CNc2ccc(C)c(-c3nn[n-]n3)n2)CCCC1 ZINC001604367331 1350924549 /nfs/dbraw/zinc/92/45/49/1350924549.db2.gz KUFHMPWJBPMILN-UHFFFAOYSA-N -1 1 330.392 2.106 20 0 EEADMM CCOCc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001604433233 1350936746 /nfs/dbraw/zinc/93/67/46/1350936746.db2.gz LNBLILGXOMDZFM-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM CCOCc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001604433233 1350936747 /nfs/dbraw/zinc/93/67/47/1350936747.db2.gz LNBLILGXOMDZFM-UHFFFAOYSA-N -1 1 343.412 2.395 20 0 EEADMM C[C@H](Oc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1F)C(=O)[O-] ZINC001604435010 1350936883 /nfs/dbraw/zinc/93/68/83/1350936883.db2.gz QFLXCPZDDWPILJ-ONGXEEELSA-N -1 1 347.346 2.459 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001604499575 1350949588 /nfs/dbraw/zinc/94/95/88/1350949588.db2.gz DJMPOPQUFACKTL-ZDUSSCGKSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001604499575 1350949591 /nfs/dbraw/zinc/94/95/91/1350949591.db2.gz DJMPOPQUFACKTL-ZDUSSCGKSA-N -1 1 326.335 2.282 20 0 EEADMM CCc1nc(N[C@@H]2CCc3ccccc3OC2)cc(-c2nnn[n-]2)n1 ZINC001604562297 1350961318 /nfs/dbraw/zinc/96/13/18/1350961318.db2.gz PWLFNYKITMRSKF-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM CCc1nc(N[C@@H]2CCc3ccccc3OC2)cc(-c2nn[n-]n2)n1 ZINC001604562297 1350961321 /nfs/dbraw/zinc/96/13/21/1350961321.db2.gz PWLFNYKITMRSKF-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM C[C@@]1(C2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)COC(=O)N1 ZINC001604569442 1350961963 /nfs/dbraw/zinc/96/19/63/1350961963.db2.gz ZDWPQXXVMRPJHE-KRWDZBQOSA-N -1 1 336.363 2.234 20 0 EEADMM CCn1nc(C)c(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC001604617059 1350970767 /nfs/dbraw/zinc/97/07/67/1350970767.db2.gz DXUSYIXKPULFFN-UHFFFAOYSA-N -1 1 345.432 2.034 20 0 EEADMM CCn1nc(C)c(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC001604617059 1350970770 /nfs/dbraw/zinc/97/07/70/1350970770.db2.gz DXUSYIXKPULFFN-UHFFFAOYSA-N -1 1 345.432 2.034 20 0 EEADMM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)c1cccc(F)c1O ZINC001604625330 1350972264 /nfs/dbraw/zinc/97/22/64/1350972264.db2.gz XJDVSPFMYZEPTH-QMMMGPOBSA-N -1 1 344.298 2.217 20 0 EEADMM CN(C1CCCCCC1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604706274 1350988713 /nfs/dbraw/zinc/98/87/13/1350988713.db2.gz NKBIKIFZZKAKDT-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM COC(=O)c1ccc(Cn2c(C)c(C)nc2-c2nnn[n-]2)cc1Cl ZINC001604972063 1351042063 /nfs/dbraw/zinc/04/20/63/1351042063.db2.gz IKHSADSIXBPCRY-UHFFFAOYSA-N -1 1 346.778 2.168 20 0 EEADMM COC(=O)c1ccc(Cn2c(C)c(C)nc2-c2nn[n-]n2)cc1Cl ZINC001604972063 1351042065 /nfs/dbraw/zinc/04/20/65/1351042065.db2.gz IKHSADSIXBPCRY-UHFFFAOYSA-N -1 1 346.778 2.168 20 0 EEADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001605172252 1351094558 /nfs/dbraw/zinc/09/45/58/1351094558.db2.gz CNERCUOUGVDJPS-SJORKVTESA-N -1 1 348.443 2.371 20 0 EEADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])no2)CCN1Cc1ccccc1 ZINC001605180588 1351097512 /nfs/dbraw/zinc/09/75/12/1351097512.db2.gz ZLAXXADXZFSYEM-HNNXBMFYSA-N -1 1 329.400 2.469 20 0 EEADMM COc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(C)c1 ZINC001605259554 1351117709 /nfs/dbraw/zinc/11/77/09/1351117709.db2.gz ZYCRAQOVJWXLSJ-UHFFFAOYSA-N -1 1 339.359 2.037 20 0 EEADMM CSCC1(CC(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)CC1 ZINC001605375829 1351148431 /nfs/dbraw/zinc/14/84/31/1351148431.db2.gz HHDWNUNCRBJDIF-UHFFFAOYSA-N -1 1 344.444 2.074 20 0 EEADMM CSCC1(CC(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)CC1 ZINC001605375829 1351148433 /nfs/dbraw/zinc/14/84/33/1351148433.db2.gz HHDWNUNCRBJDIF-UHFFFAOYSA-N -1 1 344.444 2.074 20 0 EEADMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001605425632 1351156522 /nfs/dbraw/zinc/15/65/22/1351156522.db2.gz AWRXDSQZKWBJDF-HNNXBMFYSA-N -1 1 330.388 2.140 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC001605575110 1351192605 /nfs/dbraw/zinc/19/26/05/1351192605.db2.gz JMIGDAXSMBKCLO-SNVBAGLBSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)Oc2ccc(Cl)cc2)n1 ZINC001605575110 1351192611 /nfs/dbraw/zinc/19/26/11/1351192611.db2.gz JMIGDAXSMBKCLO-SNVBAGLBSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C)nc3ccccc32)c1-c1nn[n-]n1 ZINC001605625353 1351204156 /nfs/dbraw/zinc/20/41/56/1351204156.db2.gz WXMQSOUPKBOQHK-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1cc(C)c2c(c1)CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001605643740 1351208811 /nfs/dbraw/zinc/20/88/11/1351208811.db2.gz TYYKTOFDJOGIOP-UHFFFAOYSA-N -1 1 326.429 2.498 20 0 EEADMM Cc1cc(C)c2c(c1)CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001605643740 1351208813 /nfs/dbraw/zinc/20/88/13/1351208813.db2.gz TYYKTOFDJOGIOP-UHFFFAOYSA-N -1 1 326.429 2.498 20 0 EEADMM Cc1cc(C)cc(OCCCn2ccn3ncc(-c4nn[n-]n4)c23)c1 ZINC001605647307 1351209688 /nfs/dbraw/zinc/20/96/88/1351209688.db2.gz PKHHLUAVHAMVDR-UHFFFAOYSA-N -1 1 337.387 2.402 20 0 EEADMM Cc1ccc(N2CCCN3c4ccccc4C[C@H]3C2)c(-c2nnn[n-]2)n1 ZINC001605867477 1351241413 /nfs/dbraw/zinc/24/14/13/1351241413.db2.gz MTJDXIPHSUEUDP-HNNXBMFYSA-N -1 1 347.426 2.212 20 0 EEADMM Cc1ccc(N2CCCN3c4ccccc4C[C@H]3C2)c(-c2nn[n-]n2)n1 ZINC001605867477 1351241416 /nfs/dbraw/zinc/24/14/16/1351241416.db2.gz MTJDXIPHSUEUDP-HNNXBMFYSA-N -1 1 347.426 2.212 20 0 EEADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605888613 1351247256 /nfs/dbraw/zinc/24/72/56/1351247256.db2.gz VALRDFDJOKPZTM-SNVBAGLBSA-N -1 1 325.328 2.196 20 0 EEADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605888613 1351247258 /nfs/dbraw/zinc/24/72/58/1351247258.db2.gz VALRDFDJOKPZTM-SNVBAGLBSA-N -1 1 325.328 2.196 20 0 EEADMM CCn1cc([C@H](C)N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cn1 ZINC001605919222 1351253855 /nfs/dbraw/zinc/25/38/55/1351253855.db2.gz YSXPXQQUTHTNNB-MEDUHNTESA-N -1 1 333.388 2.397 20 0 EEADMM Cn1cc([C@H](NCc2ccc(-c3nn[n-]n3)s2)C(F)(F)F)cn1 ZINC001606232594 1351286974 /nfs/dbraw/zinc/28/69/74/1351286974.db2.gz SNAPYGRGPHKPEW-JTQLQIEISA-N -1 1 343.338 2.055 20 0 EEADMM Fc1ccc([C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001606317354 1351291895 /nfs/dbraw/zinc/29/18/95/1351291895.db2.gz WOEZXMWLZWOSQD-CQSZACIVSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccc([C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001606317354 1351291897 /nfs/dbraw/zinc/29/18/97/1351291897.db2.gz WOEZXMWLZWOSQD-CQSZACIVSA-N -1 1 329.335 2.172 20 0 EEADMM COC(=O)CC[C@H](C(=O)[O-])N1CCc2cc(OC)c(Cl)cc2C1 ZINC001606450236 1351303886 /nfs/dbraw/zinc/30/38/86/1351303886.db2.gz WQEHRVJQYQIOEM-CYBMUJFWSA-N -1 1 341.791 2.113 20 0 EEADMM COC(=O)[C@H]1[C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3C(F)(F)F)C[C@@H]21 ZINC001606514526 1351314541 /nfs/dbraw/zinc/31/45/41/1351314541.db2.gz NOWRDPIYDBJCEH-RSLMWUCJSA-N -1 1 343.301 2.182 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN(CC2CCCCC2)C2CC2)n1 ZINC001606536554 1351318697 /nfs/dbraw/zinc/31/86/97/1351318697.db2.gz DJMHRMOEJFKZJH-UHFFFAOYSA-N -1 1 335.404 2.370 20 0 EEADMM COC(=O)c1cc(CN2CC(C)(C)[C@H]3COC[C@H]32)cc(C(=O)[O-])c1 ZINC001606542484 1351319975 /nfs/dbraw/zinc/31/99/75/1351319975.db2.gz ZYXDZOWVVITXKD-LSDHHAIUSA-N -1 1 333.384 2.028 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCC[C@](C)(C(=O)[O-])C3)nc2c1 ZINC001606605414 1351330862 /nfs/dbraw/zinc/33/08/62/1351330862.db2.gz GXGGSZFKXUTLRL-KRWDZBQOSA-N -1 1 331.372 2.036 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606728458 1351348194 /nfs/dbraw/zinc/34/81/94/1351348194.db2.gz YBMFDTLLQVNYHA-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606728458 1351348198 /nfs/dbraw/zinc/34/81/98/1351348198.db2.gz YBMFDTLLQVNYHA-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1ccsc1-c1nnn[n-]1 ZINC001606762524 1351353339 /nfs/dbraw/zinc/35/33/39/1351353339.db2.gz VVUXQKWPKCXCOP-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCC[C@@H]1CCC2(CCC2)O1)c1ccsc1-c1nn[n-]n1 ZINC001606762524 1351353343 /nfs/dbraw/zinc/35/33/43/1351353343.db2.gz VVUXQKWPKCXCOP-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCCc1cccc(F)c1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606797683 1351358278 /nfs/dbraw/zinc/35/82/78/1351358278.db2.gz XFXNBNMXTQMHNC-UHFFFAOYSA-N -1 1 346.391 2.109 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606875985 1351368825 /nfs/dbraw/zinc/36/88/25/1351368825.db2.gz HMPRMYWQOUJMEX-JOYOIKCWSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606875985 1351368831 /nfs/dbraw/zinc/36/88/31/1351368831.db2.gz HMPRMYWQOUJMEX-JOYOIKCWSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(Nc1cc(Cl)c(Cl)cn1)c1cccc(-c2nnn[n-]2)n1 ZINC001606904304 1351373010 /nfs/dbraw/zinc/37/30/10/1351373010.db2.gz JHEWTKUNFZNNBV-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc(Cl)c(Cl)cn1)c1cccc(-c2nn[n-]n2)n1 ZINC001606904304 1351373015 /nfs/dbraw/zinc/37/30/15/1351373015.db2.gz JHEWTKUNFZNNBV-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ccc2oc(CO)cc2c1)c1ccsc1-c1nnn[n-]1 ZINC001606929598 1351378590 /nfs/dbraw/zinc/37/85/90/1351378590.db2.gz AEWPCZRCIDLIQO-UHFFFAOYSA-N -1 1 341.352 2.419 20 0 EEADMM O=C(Nc1ccc2oc(CO)cc2c1)c1ccsc1-c1nn[n-]n1 ZINC001606929598 1351378596 /nfs/dbraw/zinc/37/85/96/1351378596.db2.gz AEWPCZRCIDLIQO-UHFFFAOYSA-N -1 1 341.352 2.419 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001606981966 1351391763 /nfs/dbraw/zinc/39/17/63/1351391763.db2.gz HEVJRFOPJRYJLX-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001606981966 1351391769 /nfs/dbraw/zinc/39/17/69/1351391769.db2.gz HEVJRFOPJRYJLX-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ncc(-c2ccccc2)o1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606985457 1351392809 /nfs/dbraw/zinc/39/28/09/1351392809.db2.gz OWLLYCIVHVERCS-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ncc(-c2ccccc2)o1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606985457 1351392810 /nfs/dbraw/zinc/39/28/10/1351392810.db2.gz OWLLYCIVHVERCS-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H](c2ccccc2F)C1 ZINC001607016679 1351397932 /nfs/dbraw/zinc/39/79/32/1351397932.db2.gz DKDRQZYYAHBSPD-SNVBAGLBSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H](c2ccccc2F)C1 ZINC001607016679 1351397935 /nfs/dbraw/zinc/39/79/35/1351397935.db2.gz DKDRQZYYAHBSPD-SNVBAGLBSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](OC2CCC2)CC1 ZINC001607026469 1351400402 /nfs/dbraw/zinc/40/04/02/1351400402.db2.gz CCFASIIRFHQVSH-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](OC2CCC2)CC1 ZINC001607026469 1351400405 /nfs/dbraw/zinc/40/04/05/1351400405.db2.gz CCFASIIRFHQVSH-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC001607075569 1351407187 /nfs/dbraw/zinc/40/71/87/1351407187.db2.gz ZVYGJVFAWHMFJO-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC001607075569 1351407188 /nfs/dbraw/zinc/40/71/88/1351407188.db2.gz ZVYGJVFAWHMFJO-QFIPXVFZSA-N -1 1 333.804 2.364 20 0 EEADMM c1nc(NCc2cccc(-c3nnn[n-]3)n2)sc1C1CCOCC1 ZINC001607119232 1351426835 /nfs/dbraw/zinc/42/68/35/1351426835.db2.gz UTHSBIOBNZYYBP-UHFFFAOYSA-N -1 1 343.416 2.224 20 0 EEADMM c1nc(NCc2cccc(-c3nn[n-]n3)n2)sc1C1CCOCC1 ZINC001607119232 1351426836 /nfs/dbraw/zinc/42/68/36/1351426836.db2.gz UTHSBIOBNZYYBP-UHFFFAOYSA-N -1 1 343.416 2.224 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)cc1 ZINC001607130553 1351432403 /nfs/dbraw/zinc/43/24/03/1351432403.db2.gz AZYAPPDEJPBDCP-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)cc1 ZINC001607130553 1351432405 /nfs/dbraw/zinc/43/24/05/1351432405.db2.gz AZYAPPDEJPBDCP-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM COc1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)ccc1SC ZINC001607157094 1351439706 /nfs/dbraw/zinc/43/97/06/1351439706.db2.gz GUKGJJLRSSQJEJ-HNNXBMFYSA-N -1 1 325.430 2.075 20 0 EEADMM COc1ccc(-c2cc(CN[C@@H](C(=O)[O-])C3CCOCC3)on2)cc1 ZINC001607195915 1351446978 /nfs/dbraw/zinc/44/69/78/1351446978.db2.gz XWDREMQAFVAFEM-QGZVFWFLSA-N -1 1 346.383 2.320 20 0 EEADMM COc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1C1CC1 ZINC001607203849 1351448447 /nfs/dbraw/zinc/44/84/47/1351448447.db2.gz JAVBHRPQZSJEBO-ZDUSSCGKSA-N -1 1 346.427 2.194 20 0 EEADMM COc1cccc(C[C@@H](N)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001607318196 1351472430 /nfs/dbraw/zinc/47/24/30/1351472430.db2.gz IGRPGJDIJMKNLD-QGZVFWFLSA-N -1 1 342.395 2.221 20 0 EEADMM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)ccc2cncn21 ZINC001607506161 1351507291 /nfs/dbraw/zinc/50/72/91/1351507291.db2.gz HVVKWYWEZNKNES-GOSISDBHSA-N -1 1 338.367 2.158 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCCn2nccc21 ZINC001607741580 1351550078 /nfs/dbraw/zinc/55/00/78/1351550078.db2.gz ZMXRCYQCBIMUQR-JSGCOSHPSA-N -1 1 342.399 2.341 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC001607917553 1351585664 /nfs/dbraw/zinc/58/56/64/1351585664.db2.gz MNNNAVILVZPBSJ-KBXCAEBGSA-N -1 1 342.395 2.390 20 0 EEADMM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001608408687 1351688807 /nfs/dbraw/zinc/68/88/07/1351688807.db2.gz AQNNRGQNSIUUPG-JKSUJKDBSA-N -1 1 325.368 2.230 20 0 EEADMM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc([O-])cn1 ZINC001633894736 1352620176 /nfs/dbraw/zinc/62/01/76/1352620176.db2.gz XPXCLVLTVWXJFE-UHFFFAOYSA-N -1 1 330.731 2.421 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cccc2cccnc21 ZINC001642557744 1352733936 /nfs/dbraw/zinc/73/39/36/1352733936.db2.gz HMQSBYFERRMVPA-INIZCTEOSA-N -1 1 330.351 2.267 20 0 EEADMM CCOC(=O)c1[nH]ccc1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001646493920 1352854829 /nfs/dbraw/zinc/85/48/29/1352854829.db2.gz HKXIZULJKPYAHV-UHFFFAOYSA-N -1 1 340.376 2.315 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)COCc1nn[n-]n1)c1ccc(F)cc1 ZINC001647411098 1353267571 /nfs/dbraw/zinc/26/75/71/1353267571.db2.gz JJQICXPHMOGVMZ-ZDUSSCGKSA-N -1 1 335.383 2.149 20 0 EEADMM Cc1ccccc1OCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647945074 1353410296 /nfs/dbraw/zinc/41/02/96/1353410296.db2.gz WMSWKMWPXANURZ-QGZVFWFLSA-N -1 1 337.383 2.183 20 0 EEADMM Cn1c(C(=O)Nc2ccncc2[O-])cc2cc(Br)cnc21 ZINC001648541918 1353433464 /nfs/dbraw/zinc/43/34/64/1353433464.db2.gz VAFFUUMHSFUMQZ-UHFFFAOYSA-N -1 1 347.172 2.111 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)[C@@H]2[C@@H](C)C2(F)F)n[n-]1 ZINC001649321605 1353478838 /nfs/dbraw/zinc/47/88/38/1353478838.db2.gz WICIGUOAPNRWMJ-BBBLOLIVSA-N -1 1 344.362 2.086 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H]2[C@@H](C)C2(F)F)[n-]1 ZINC001649321605 1353478840 /nfs/dbraw/zinc/47/88/40/1353478840.db2.gz WICIGUOAPNRWMJ-BBBLOLIVSA-N -1 1 344.362 2.086 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H]2[C@@H](C)C2(F)F)n1 ZINC001649321605 1353478842 /nfs/dbraw/zinc/47/88/42/1353478842.db2.gz WICIGUOAPNRWMJ-BBBLOLIVSA-N -1 1 344.362 2.086 20 0 EEADMM CCCc1nc(C(=O)Nc2c[n-][nH]c2=O)nn1-c1ccccc1F ZINC001651044509 1354037779 /nfs/dbraw/zinc/03/77/79/1354037779.db2.gz MYKGPBUOSGSQIN-UHFFFAOYSA-N -1 1 330.323 2.040 20 0 EEADMM Cc1sc2ncnc(SCC(=O)Nc3c[n-][nH]c3=O)c2c1C ZINC001654599913 1354153129 /nfs/dbraw/zinc/15/31/29/1354153129.db2.gz GKWUGPRCKXGIGD-UHFFFAOYSA-N -1 1 335.414 2.468 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)CCOc1ccccc1C ZINC000073997274 1354353984 /nfs/dbraw/zinc/35/39/84/1354353984.db2.gz OLUNZDXCEUMWAD-UHFFFAOYSA-N -1 1 334.445 2.397 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001388342545 1387390662 /nfs/dbraw/zinc/39/06/62/1387390662.db2.gz VKJMVTMUTLWUKA-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1cocc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001388543687 1387535754 /nfs/dbraw/zinc/53/57/54/1387535754.db2.gz SUJIQTUWOWVMCK-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000836719252 1367726747 /nfs/dbraw/zinc/72/67/47/1367726747.db2.gz CCGYTWVVGBFNCT-LBPRGKRZSA-N -1 1 328.372 2.189 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc(Cl)cn1 ZINC000346102930 1368138227 /nfs/dbraw/zinc/13/82/27/1368138227.db2.gz NZGXWMULOMDCOY-UHFFFAOYSA-N -1 1 330.735 2.079 20 0 EEADMM CCOCC[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009416 1368339430 /nfs/dbraw/zinc/33/94/30/1368339430.db2.gz HWRAJCPVVIOHKG-UHFFFAOYSA-N -1 1 344.177 2.042 20 0 EEADMM CN(C(=O)c1cnc(-c2ccccc2)[n-]c1=O)[C@H]1CC[C@H](O)CC1 ZINC001190260476 1368402853 /nfs/dbraw/zinc/40/28/53/1368402853.db2.gz GCPDPNQDXISENN-HDJSIYSDSA-N -1 1 327.384 2.225 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001195493961 1368543806 /nfs/dbraw/zinc/54/38/06/1368543806.db2.gz FPXVVAAHISBJGN-UHFFFAOYSA-N -1 1 328.415 2.066 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1CO ZINC001198153759 1368625562 /nfs/dbraw/zinc/62/55/62/1368625562.db2.gz SQLWTGCNTMTFFM-UHFFFAOYSA-N -1 1 329.381 2.231 20 0 EEADMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc2CN1 ZINC001198870715 1368653465 /nfs/dbraw/zinc/65/34/65/1368653465.db2.gz RUFLCWUTLLJHLA-UHFFFAOYSA-N -1 1 342.376 2.406 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2cccs2)C1 ZINC000864429705 1369600724 /nfs/dbraw/zinc/60/07/24/1369600724.db2.gz YYNFRGKPIFDNRV-GFCCVEGCSA-N -1 1 335.351 2.101 20 0 EEADMM CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)n1 ZINC000829743944 1372292449 /nfs/dbraw/zinc/29/24/49/1372292449.db2.gz FMGFTMWHHSTFQE-LBPRGKRZSA-N -1 1 341.415 2.125 20 0 EEADMM Cc1ccc(OCC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830840368 1372353047 /nfs/dbraw/zinc/35/30/47/1372353047.db2.gz IXTYCXQRFAUSJK-OAHLLOKOSA-N -1 1 344.333 2.043 20 0 EEADMM CCc1sc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1C ZINC000831157936 1372369253 /nfs/dbraw/zinc/36/92/53/1372369253.db2.gz FHXPXPHWIUPRFF-UHFFFAOYSA-N -1 1 334.363 2.369 20 0 EEADMM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000837403719 1372785890 /nfs/dbraw/zinc/78/58/90/1372785890.db2.gz GPHJWCPVQAFQAL-CYBMUJFWSA-N -1 1 349.822 2.022 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCc1cscn1 ZINC000837474060 1372787512 /nfs/dbraw/zinc/78/75/12/1372787512.db2.gz CYDFARFFDCWZBY-UHFFFAOYSA-N -1 1 340.426 2.304 20 0 EEADMM O=C(OC[C@H]1CCNC(=O)CC1)c1ccc(Br)c([O-])c1 ZINC000837591005 1372793486 /nfs/dbraw/zinc/79/34/86/1372793486.db2.gz JDRQCAVAWOJFLV-SECBINFHSA-N -1 1 342.189 2.228 20 0 EEADMM O=C([N-]OCCC1CC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000839777596 1372917218 /nfs/dbraw/zinc/91/72/18/1372917218.db2.gz KGPZDUQGKNXUAZ-HNNXBMFYSA-N -1 1 334.391 2.065 20 0 EEADMM COc1c(C(=O)Nc2cccc([O-])c2Br)c(C)nn1C ZINC001362608824 1373438286 /nfs/dbraw/zinc/43/82/86/1373438286.db2.gz DKRQDPRXFZTRGF-UHFFFAOYSA-N -1 1 340.177 2.458 20 0 EEADMM CCn1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C(C)C)n1 ZINC001363017073 1373475773 /nfs/dbraw/zinc/47/57/73/1373475773.db2.gz KMMBPADIALAJES-LLVKDONJSA-N -1 1 333.392 2.135 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H]1CS[C@H](C)C1 ZINC001363445046 1373518161 /nfs/dbraw/zinc/51/81/61/1373518161.db2.gz NRETXCDJLCQRGB-MFKMUULPSA-N -1 1 344.440 2.105 20 0 EEADMM CSc1nc(CNC(=O)[C@H](C)CSC(F)(F)F)cc(=O)[n-]1 ZINC001363453505 1373520210 /nfs/dbraw/zinc/52/02/10/1373520210.db2.gz AMFANZZPDCKZRI-ZCFIWIBFSA-N -1 1 341.380 2.409 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1c1ccccc1 ZINC001364850265 1373621207 /nfs/dbraw/zinc/62/12/07/1373621207.db2.gz JRELZTFBXYFBFF-KGLIPLIRSA-N -1 1 335.429 2.427 20 0 EEADMM Cc1cccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1F ZINC001369819123 1374664847 /nfs/dbraw/zinc/66/48/47/1374664847.db2.gz APDJSKAQOKAKBX-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CCCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001370074475 1374786115 /nfs/dbraw/zinc/78/61/15/1374786115.db2.gz BIZPUEWFPAUMGE-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)c1ccoc1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001370477082 1374955642 /nfs/dbraw/zinc/95/56/42/1374955642.db2.gz ZELBDVUPLBXXCW-LBPRGKRZSA-N -1 1 345.399 2.394 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371665204 1375564172 /nfs/dbraw/zinc/56/41/72/1375564172.db2.gz JJPHVFWWUJUSQT-MELADBBJSA-N -1 1 333.432 2.238 20 0 EEADMM CN(CCNC(=O)[C@@H]1CCCCC1(C)C)C(=O)c1ncccc1[O-] ZINC001373511962 1376545254 /nfs/dbraw/zinc/54/52/54/1376545254.db2.gz TYGVCWDABAENGV-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)CC(C)C ZINC001375060107 1377329330 /nfs/dbraw/zinc/32/93/30/1377329330.db2.gz NPQKBZWBEYUQHN-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM CCC1(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001381409684 1381603439 /nfs/dbraw/zinc/60/34/39/1381603439.db2.gz KNMVDVLTZAHWMO-OLZOCXBDSA-N -1 1 331.416 2.135 20 0 EEADMM CCC(CC)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384147695 1382821582 /nfs/dbraw/zinc/82/15/82/1382821582.db2.gz ORRARCCCOBLKIM-JSGCOSHPSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C(=O)N[C@@]1(CNC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001390873133 1388838138 /nfs/dbraw/zinc/83/81/38/1388838138.db2.gz DZBUSCFEBWHDQM-FZKQIMNGSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001385016861 1385345286 /nfs/dbraw/zinc/34/52/86/1385345286.db2.gz YFKAOBUCVWLWJR-NFAWXSAZSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1cccc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1Cl ZINC001387696173 1386946681 /nfs/dbraw/zinc/94/66/81/1386946681.db2.gz OWRQHHRTGRITJJ-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM CC[C@@H](CNC(=O)C1(F)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001388181497 1387234826 /nfs/dbraw/zinc/23/48/26/1387234826.db2.gz LEYLHIMVTXGSJP-LBPRGKRZSA-N -1 1 337.395 2.084 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(C)c(C)s1)NC(=O)c1ncccc1[O-] ZINC001388207344 1387251984 /nfs/dbraw/zinc/25/19/84/1387251984.db2.gz UBAJBRYGTXZCFN-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])Cc1csc(C)n1 ZINC001391127603 1389056654 /nfs/dbraw/zinc/05/66/54/1389056654.db2.gz SBWVSTATWDZKOO-UHFFFAOYSA-N -1 1 334.445 2.194 20 0 EEADMM Cc1cccc(C)c1C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001391246432 1389164600 /nfs/dbraw/zinc/16/46/00/1389164600.db2.gz OYIINUKYRCYCBN-GFCCVEGCSA-N -1 1 341.411 2.200 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001391910606 1389704829 /nfs/dbraw/zinc/70/48/29/1389704829.db2.gz BFXGQQZZHAFIBX-KGLIPLIRSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)CCC(=O)N(C)[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001395093901 1390784561 /nfs/dbraw/zinc/78/45/61/1390784561.db2.gz UPICPSQZYUSPHV-LBPRGKRZSA-N -1 1 348.447 2.073 20 0 EEADMM CC[C@H](CC(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-])C(C)C ZINC001398950993 1394361731 /nfs/dbraw/zinc/36/17/31/1394361731.db2.gz YINZLYCYUBFFHU-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM O=C(CCC1CC1)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001399515074 1395186578 /nfs/dbraw/zinc/18/65/78/1395186578.db2.gz NRQQVPVURIJUHU-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)c1occc1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001424171580 1400946891 /nfs/dbraw/zinc/94/68/91/1400946891.db2.gz FROWTPFMMQVLJN-GFCCVEGCSA-N -1 1 345.399 2.394 20 0 EEADMM CCOC(=O)[C@](C)(C[N-]S(=O)(=O)c1cc(C)ns1)CC(C)C ZINC001424716051 1401238998 /nfs/dbraw/zinc/23/89/98/1401238998.db2.gz JJUHTUVTPHDCTE-AWEZNQCLSA-N -1 1 348.490 2.345 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2[nH]cc(C)c(=O)c2C)c(F)c1 ZINC001424742085 1401242659 /nfs/dbraw/zinc/24/26/59/1401242659.db2.gz FWJKDZRWXIOARM-UHFFFAOYSA-N -1 1 342.367 2.057 20 0 EEADMM CC(C)CC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001425045790 1401409536 /nfs/dbraw/zinc/40/95/36/1401409536.db2.gz TVGWEYKLPDWIHP-CYBMUJFWSA-N -1 1 335.448 2.436 20 0 EEADMM CC[C@H](C)C(=O)N[C@@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001426915853 1402251516 /nfs/dbraw/zinc/25/15/16/1402251516.db2.gz LHFGHYDGYYCFBD-KBPBESRZSA-N -1 1 335.448 2.436 20 0 EEADMM CC[C@H](CC(C)C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001426979416 1402282023 /nfs/dbraw/zinc/28/20/23/1402282023.db2.gz OUWZPBJNADMUJZ-KFWWJZLASA-N -1 1 347.459 2.484 20 0 EEADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001427635963 1402518499 /nfs/dbraw/zinc/51/84/99/1402518499.db2.gz JZFASGIETZCXOY-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(C)C(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)C1(C)C ZINC001427899482 1402553290 /nfs/dbraw/zinc/55/32/90/1402553290.db2.gz USSJVFLGRBDRFQ-GFCCVEGCSA-N -1 1 345.443 2.094 20 0 EEADMM Cc1cc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)sc1C ZINC001432320804 1403239211 /nfs/dbraw/zinc/23/92/11/1403239211.db2.gz MUECCCWJJJZIDM-UHFFFAOYSA-N -1 1 345.424 2.158 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001432733627 1403284022 /nfs/dbraw/zinc/28/40/22/1403284022.db2.gz RKGABOLUNGTCIQ-ACJLOTCBSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(NC(=O)C2CC2)s1 ZINC001433562082 1403407804 /nfs/dbraw/zinc/40/78/04/1403407804.db2.gz JCYDKOAOXJHFAL-UHFFFAOYSA-N -1 1 345.306 2.486 20 0 EEADMM CC(C)Sc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001574358660 1403520406 /nfs/dbraw/zinc/52/04/06/1403520406.db2.gz YGQLBPRGNOPUKJ-UHFFFAOYSA-N -1 1 329.389 2.343 20 0 EEADMM CCCCC1(NC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001577500242 1403660084 /nfs/dbraw/zinc/66/00/84/1403660084.db2.gz VKOJDPXINPADMP-UHFFFAOYSA-N -1 1 331.380 2.115 20 0 EEADMM COc1ncc(NC(=O)Nc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC001580139052 1403834121 /nfs/dbraw/zinc/83/41/21/1403834121.db2.gz TVXMDUYCVSANHI-UHFFFAOYSA-N -1 1 325.332 2.223 20 0 EEADMM COCC1(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCC1 ZINC001591388199 1403908145 /nfs/dbraw/zinc/90/81/45/1403908145.db2.gz XFMDMFSNJFGBFV-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM COCC1(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCC1 ZINC001591388199 1403908150 /nfs/dbraw/zinc/90/81/50/1403908150.db2.gz XFMDMFSNJFGBFV-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM Cc1nsc(NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1-c1nnn[n-]1 ZINC001592481001 1404701159 /nfs/dbraw/zinc/70/11/59/1404701159.db2.gz BUAAUEOOQPOEQZ-ICCCGROCSA-N -1 1 333.421 2.189 20 0 EEADMM Cc1nsc(NC(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)c1-c1nn[n-]n1 ZINC001592481001 1404701161 /nfs/dbraw/zinc/70/11/61/1404701161.db2.gz BUAAUEOOQPOEQZ-ICCCGROCSA-N -1 1 333.421 2.189 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC001592499106 1404702680 /nfs/dbraw/zinc/70/26/80/1404702680.db2.gz IYSQBFWKYHKOPZ-OLZOCXBDSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC001592499106 1404702683 /nfs/dbraw/zinc/70/26/83/1404702683.db2.gz IYSQBFWKYHKOPZ-OLZOCXBDSA-N -1 1 333.392 2.092 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001593106060 1404744642 /nfs/dbraw/zinc/74/46/42/1404744642.db2.gz OBIDCXUXRYPXSG-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593106060 1404744649 /nfs/dbraw/zinc/74/46/49/1404744649.db2.gz OBIDCXUXRYPXSG-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(Cc2ccc(O)cc2)CC2CC2)n1 ZINC001606019695 1404756437 /nfs/dbraw/zinc/75/64/37/1404756437.db2.gz JQPVYDOOKZEKGC-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(Cc2ccc(O)cc2)CC2CC2)n1 ZINC001606019695 1404756440 /nfs/dbraw/zinc/75/64/40/1404756440.db2.gz JQPVYDOOKZEKGC-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1nsc(N2CC[C@@H](c3ccc(O)cc3)C2)c1-c1nn[n-]n1 ZINC001606145128 1404767833 /nfs/dbraw/zinc/76/78/33/1404767833.db2.gz WYQKOMLFSCZLNG-LLVKDONJSA-N -1 1 328.401 2.331 20 0 EEADMM Cn1cnc2cc(CNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)ccc21 ZINC001606262834 1404778075 /nfs/dbraw/zinc/77/80/75/1404778075.db2.gz SBKTWPCXIZWCDT-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1cnc2cc(CNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)ccc21 ZINC001606262834 1404778081 /nfs/dbraw/zinc/77/80/81/1404778081.db2.gz SBKTWPCXIZWCDT-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM FC1(F)CC2(CN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)C1 ZINC001606301208 1404783682 /nfs/dbraw/zinc/78/36/82/1404783682.db2.gz QAFHOSWFSGPICI-UHFFFAOYSA-N -1 1 329.314 2.045 20 0 EEADMM FC1(F)CC2(CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)C1 ZINC001606301208 1404783689 /nfs/dbraw/zinc/78/36/89/1404783689.db2.gz QAFHOSWFSGPICI-UHFFFAOYSA-N -1 1 329.314 2.045 20 0 EEADMM Fc1ccc(CNc2ccnc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC001606319530 1404791820 /nfs/dbraw/zinc/79/18/20/1404791820.db2.gz PXAJRPJEWWPNHB-UHFFFAOYSA-N -1 1 338.268 2.454 20 0 EEADMM Fc1ccc(CNc2ccnc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC001606319530 1404791827 /nfs/dbraw/zinc/79/18/27/1404791827.db2.gz PXAJRPJEWWPNHB-UHFFFAOYSA-N -1 1 338.268 2.454 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CN[C@H](C)c2nc3ccccc3o2)c1[O-] ZINC001732993344 1405982577 /nfs/dbraw/zinc/98/25/77/1405982577.db2.gz HMUSFKWRWJCDDY-GXSJLCMTSA-N -1 1 343.387 2.034 20 0 EEADMM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000319662699 1409851849 /nfs/dbraw/zinc/85/18/49/1409851849.db2.gz GVKAAQWYIMZVSR-LLVKDONJSA-N -1 1 335.381 2.312 20 0 EEADMM Cc1cccc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001075484111 761237241 /nfs/dbraw/zinc/23/72/41/761237241.db2.gz WGIMNRSXBZMEJR-ZDUSSCGKSA-N -1 1 327.384 2.034 20 0 EEADMM C[C@H](CNc1ncnc2ccsc21)N(C)C(=O)c1ncccc1[O-] ZINC001104536511 761714460 /nfs/dbraw/zinc/71/44/60/761714460.db2.gz OVPNFYXTVZPHNQ-SNVBAGLBSA-N -1 1 343.412 2.365 20 0 EEADMM CC1(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)CC(C)(C)C2)CCCC1 ZINC001089456398 769404372 /nfs/dbraw/zinc/40/43/72/769404372.db2.gz IHMXIMUGMZSRLB-ZDUSSCGKSA-N -1 1 349.479 2.197 20 0 EEADMM COC1(OC)CC([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000920074324 770547972 /nfs/dbraw/zinc/54/79/72/770547972.db2.gz XOAONTBMDRLZBI-UHFFFAOYSA-N -1 1 329.349 2.002 20 0 EEADMM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000979671090 770822448 /nfs/dbraw/zinc/82/24/48/770822448.db2.gz DYWRILYLTNURDL-YDHLFZDLSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1nc(CN2CCC[C@H]2CNC(=O)c2ncccc2[O-])c(C)s1 ZINC001027844043 773417001 /nfs/dbraw/zinc/41/70/01/773417001.db2.gz MAMVDPZGIXGIKJ-ZDUSSCGKSA-N -1 1 346.456 2.255 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1c(F)cccc1F)c1ncccc1[O-] ZINC001027844303 773433809 /nfs/dbraw/zinc/43/38/09/773433809.db2.gz PVXNUDUWZWGEML-GFCCVEGCSA-N -1 1 347.365 2.460 20 0 EEADMM CC1(C)CC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000980452198 774628573 /nfs/dbraw/zinc/62/85/73/774628573.db2.gz ISMWRQFHMKHASS-IHRRRGAJSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)cc1 ZINC000980493399 774737223 /nfs/dbraw/zinc/73/72/23/774737223.db2.gz PLAJOUKRCSGVQS-CTYIDZIISA-N -1 1 339.395 2.034 20 0 EEADMM CC(C)NC(=O)CN(C)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000069372108 776022613 /nfs/dbraw/zinc/02/26/13/776022613.db2.gz HGLAAEGBOAQGSJ-UHFFFAOYSA-N -1 1 339.509 2.477 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)CCCC1 ZINC000939428068 776513957 /nfs/dbraw/zinc/51/39/57/776513957.db2.gz KDKZWXSKFVBERO-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC000981202289 776783674 /nfs/dbraw/zinc/78/36/74/776783674.db2.gz FQEONNQDUYRWEQ-QWHCGFSZSA-N -1 1 349.406 2.084 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC000939611944 776956498 /nfs/dbraw/zinc/95/64/98/776956498.db2.gz FJOROJVXLQGLJM-HNNXBMFYSA-N -1 1 339.395 2.082 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)C2CCCCCCC2)C1)c1ncccc1[O-] ZINC000940131371 778138952 /nfs/dbraw/zinc/13/89/52/778138952.db2.gz CULFFEGZTCBBKO-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940831454 779375148 /nfs/dbraw/zinc/37/51/48/779375148.db2.gz BFMFGDHUEWYBOZ-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832955 779378643 /nfs/dbraw/zinc/37/86/43/779378643.db2.gz RRMBLUZGDKNRNV-CABCVRRESA-N -1 1 345.443 2.288 20 0 EEADMM CCC(CC)C(=O)NCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001075689595 781108404 /nfs/dbraw/zinc/10/84/04/781108404.db2.gz NGZSMRNBVWTPGG-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM C[C@H](Oc1ccccc1F)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000031195268 790897068 /nfs/dbraw/zinc/89/70/68/790897068.db2.gz LHBNJBPOPWKMOB-LBPRGKRZSA-N -1 1 345.326 2.093 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)s1 ZINC001035138164 783878108 /nfs/dbraw/zinc/87/81/08/783878108.db2.gz JJKIIEIHRSNXAA-LLVKDONJSA-N -1 1 349.460 2.090 20 0 EEADMM CO[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(C)C ZINC000816356738 783933158 /nfs/dbraw/zinc/93/31/58/783933158.db2.gz MJSFOHXHERVVDV-GFCCVEGCSA-N -1 1 347.433 2.184 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000945561616 784321273 /nfs/dbraw/zinc/32/12/73/784321273.db2.gz JZNXTAAOGOPQCL-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945610943 784499910 /nfs/dbraw/zinc/49/99/10/784499910.db2.gz AZFNTPGEDUYDPS-GAVOFTNISA-N -1 1 331.416 2.110 20 0 EEADMM C[C@H](NC(=O)c1ccoc1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945623889 784533937 /nfs/dbraw/zinc/53/39/37/784533937.db2.gz RUAOBNLZPVZRFA-STQMWFEESA-N -1 1 343.383 2.051 20 0 EEADMM CC(C)OCc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907476505 784646222 /nfs/dbraw/zinc/64/62/22/784646222.db2.gz NTLGIQSJKDXBQS-AWEZNQCLSA-N -1 1 347.444 2.055 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCCC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945703333 784673062 /nfs/dbraw/zinc/67/30/62/784673062.db2.gz PAFGNOCOLQRATB-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(Nc1ccc(OC2COC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000907595430 784745654 /nfs/dbraw/zinc/74/56/54/784745654.db2.gz WAROUMKAXGITHW-UHFFFAOYSA-N -1 1 327.340 2.090 20 0 EEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OCCC3CC3)CCC(=O)N2C)cc1 ZINC000817445937 784787760 /nfs/dbraw/zinc/78/77/60/784787760.db2.gz CKJQORWWSVCQRA-FUHWJXTLSA-N -1 1 346.427 2.453 20 0 EEADMM CC(C)Cn1c([O-])c(C(=O)Nc2ccccc2C(C)C)c(=O)[nH]c1=O ZINC000817570747 784842828 /nfs/dbraw/zinc/84/28/28/784842828.db2.gz GBAIVJZAFIWZQM-AWEZNQCLSA-N -1 1 345.399 2.099 20 0 EEADMM CCOC(=O)[C@@H]1CSCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000907907326 784955162 /nfs/dbraw/zinc/95/51/62/784955162.db2.gz XIFSNRMHGVPZPE-AWEZNQCLSA-N -1 1 347.392 2.329 20 0 EEADMM NC(=O)C[C@H]1CCCN(C(=O)c2c([O-])cnc3c(F)cccc32)CC1 ZINC000908100707 785076877 /nfs/dbraw/zinc/07/68/77/785076877.db2.gz NFQPSICYPWVOOZ-NSHDSACASA-N -1 1 345.374 2.197 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@H](CCN2C(=O)C2CCCC2)C1 ZINC000945927961 785136220 /nfs/dbraw/zinc/13/62/20/785136220.db2.gz HVPSFSNKHLKLMO-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(Cc1ccncc1)N[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000186098650 785191210 /nfs/dbraw/zinc/19/12/10/785191210.db2.gz ZVBFGBURJPUIPA-UHFFFAOYSA-N -1 1 325.702 2.017 20 0 EEADMM O=C([O-])c1ccc2cc(CCNC(=O)[C@@H]3CCCN3C3CC3)oc2c1 ZINC000908218623 785245107 /nfs/dbraw/zinc/24/51/07/785245107.db2.gz LRBSCLNRCSKSRL-INIZCTEOSA-N -1 1 342.395 2.417 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](CO)c2ccccn2)cc(Cl)c1[O-] ZINC000908484277 785466391 /nfs/dbraw/zinc/46/63/91/785466391.db2.gz FVEGWQXHNJUAHA-ZDUSSCGKSA-N -1 1 336.775 2.303 20 0 EEADMM Cc1ccc(OCCCCNC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000908721848 785651891 /nfs/dbraw/zinc/65/18/91/785651891.db2.gz AMNJYZOQCFVBAP-INIZCTEOSA-N -1 1 348.443 2.067 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000908724750 785655169 /nfs/dbraw/zinc/65/51/69/785655169.db2.gz MQNVGFKTGVMJNJ-LBPRGKRZSA-N -1 1 343.383 2.440 20 0 EEADMM Cc1nnc(CCC(=O)Nc2cccc([O-])c2Br)o1 ZINC000908709219 785662683 /nfs/dbraw/zinc/66/26/83/785662683.db2.gz CLJBADCALKYDTQ-UHFFFAOYSA-N -1 1 326.150 2.417 20 0 EEADMM O=C(CN1CCCCCC1=O)Nc1cccc([O-])c1Br ZINC000908715520 785666868 /nfs/dbraw/zinc/66/68/68/785666868.db2.gz SEYNMGMMZNWEEY-UHFFFAOYSA-N -1 1 341.205 2.496 20 0 EEADMM Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1OC(F)F ZINC000908802282 785736252 /nfs/dbraw/zinc/73/62/52/785736252.db2.gz IDHNRBGJPXGVRE-LLVKDONJSA-N -1 1 342.342 2.332 20 0 EEADMM Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1OC(F)F ZINC000908802282 785736253 /nfs/dbraw/zinc/73/62/53/785736253.db2.gz IDHNRBGJPXGVRE-LLVKDONJSA-N -1 1 342.342 2.332 20 0 EEADMM CCCN(CC(=O)[O-])C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000908811799 785744971 /nfs/dbraw/zinc/74/49/71/785744971.db2.gz PYAVDRXAGOXRTQ-QGZVFWFLSA-N -1 1 347.459 2.330 20 0 EEADMM CC[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cc(F)ccc1F ZINC000908823293 785759148 /nfs/dbraw/zinc/75/91/48/785759148.db2.gz NBLXGNLHCYXZBD-IAQYHMDHSA-N -1 1 340.370 2.329 20 0 EEADMM Nc1c(Cl)cc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000908833905 785766038 /nfs/dbraw/zinc/76/60/38/785766038.db2.gz GIQIOWVCKJDQHS-MRVPVSSYSA-N -1 1 346.214 2.311 20 0 EEADMM CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996146256 786085094 /nfs/dbraw/zinc/08/50/94/786085094.db2.gz WNIXMBNAMRBJCX-AGIUHOORSA-N -1 1 331.416 2.085 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)CN1CCCC1)Cc1cccc2ccccc21 ZINC000909260949 786135796 /nfs/dbraw/zinc/13/57/96/786135796.db2.gz FIPNKQLGCFLCDO-QGZVFWFLSA-N -1 1 340.423 2.295 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CC3(CCC3)c3ccccc32)C1 ZINC000909730671 786200063 /nfs/dbraw/zinc/20/00/63/786200063.db2.gz ZAMVBZMAIRXANA-CQSZACIVSA-N -1 1 328.412 2.252 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000909859021 786288613 /nfs/dbraw/zinc/28/86/13/786288613.db2.gz UETIADDESLHXBI-IFXJQAMLSA-N -1 1 339.395 2.085 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C[C@H]1C1CC1 ZINC000909905433 786336631 /nfs/dbraw/zinc/33/66/31/786336631.db2.gz KXURALDOTSGHDT-UONOGXRCSA-N -1 1 325.368 2.260 20 0 EEADMM CCC[C@]1(C(=O)[O-])CCCN1C(=O)CN(C)CCc1ccccc1 ZINC000910115975 786437293 /nfs/dbraw/zinc/43/72/93/786437293.db2.gz RGFHIUQRLSLFBP-LJQANCHMSA-N -1 1 332.444 2.407 20 0 EEADMM O=C([O-])[C@]12CN(C(=O)c3cn[nH]c3-c3ccccn3)C[C@H]1CCCC2 ZINC000910167644 786493295 /nfs/dbraw/zinc/49/32/95/786493295.db2.gz WOYFRQYSQPJXNB-KZULUSFZSA-N -1 1 340.383 2.189 20 0 EEADMM Cc1cccc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1Cl ZINC000910169256 786493425 /nfs/dbraw/zinc/49/34/25/786493425.db2.gz CETCIOXEVGKDKK-ZDUSSCGKSA-N -1 1 338.835 2.198 20 0 EEADMM CC(C)N1CCC[C@H]1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910234363 786544369 /nfs/dbraw/zinc/54/43/69/786544369.db2.gz UTNWAOVPXONWKC-RISCZKNCSA-N -1 1 338.379 2.489 20 0 EEADMM C[C@H]1CCCN(C(=O)CC2CCCCC2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036512919 786563241 /nfs/dbraw/zinc/56/32/41/786563241.db2.gz MPXWLNQTSHFWKB-DZGCQCFKSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)CN(CCC(=O)[O-])c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000910410573 786740194 /nfs/dbraw/zinc/74/01/94/786740194.db2.gz MGDXBVLPKKMNHC-UHFFFAOYSA-N -1 1 331.298 2.309 20 0 EEADMM CCSc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccn1 ZINC000821460782 786745173 /nfs/dbraw/zinc/74/51/73/786745173.db2.gz COKCMUJTWDJAOE-UHFFFAOYSA-N -1 1 342.384 2.332 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000821828109 786900407 /nfs/dbraw/zinc/90/04/07/786900407.db2.gz QHQCFNMGYZTVTP-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000821828109 786900417 /nfs/dbraw/zinc/90/04/17/786900417.db2.gz QHQCFNMGYZTVTP-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC[C@]2(C)C[C@]2(F)Cl)co1 ZINC000822049193 787007448 /nfs/dbraw/zinc/00/74/48/787007448.db2.gz OAYKZROWJQBUNM-VXGBXAGGSA-N -1 1 339.772 2.049 20 0 EEADMM Cn1cc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc21 ZINC000822674640 787334258 /nfs/dbraw/zinc/33/42/58/787334258.db2.gz YOXSLQKDXHJEQL-UHFFFAOYSA-N -1 1 348.366 2.245 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000911250604 787334468 /nfs/dbraw/zinc/33/44/68/787334468.db2.gz QVSPRDPWJCUAIJ-HNNXBMFYSA-N -1 1 345.443 2.412 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000823058233 787532865 /nfs/dbraw/zinc/53/28/65/787532865.db2.gz MEEOEBRSYNBFNH-SWLSCSKDSA-N -1 1 337.383 2.028 20 0 EEADMM CON(C(=O)CN1CCC[C@H](C(=O)[O-])C1)[C@H](C)c1ccccc1C ZINC000911811055 787738891 /nfs/dbraw/zinc/73/88/91/787738891.db2.gz SDIQUCCIJWPLNU-CABCVRRESA-N -1 1 334.416 2.243 20 0 EEADMM CC(C)(C)OC(=O)N1CC(N(C(=O)c2cncc([O-])c2)C2CC2)C1 ZINC000911967823 787859951 /nfs/dbraw/zinc/85/99/51/787859951.db2.gz AIXXSIVEDSOTQN-UHFFFAOYSA-N -1 1 333.388 2.011 20 0 EEADMM CCc1cc(OS(=O)(=O)c2n[n-]cc2C(=O)OC)ccc1Cl ZINC000912528574 788227813 /nfs/dbraw/zinc/22/78/13/788227813.db2.gz XRBWQIPHGKVHHF-UHFFFAOYSA-N -1 1 344.776 2.180 20 0 EEADMM CCCC1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825255190 788538394 /nfs/dbraw/zinc/53/83/94/788538394.db2.gz WDGJRCPXHGDTEK-UHFFFAOYSA-N -1 1 332.408 2.181 20 0 EEADMM CCCC1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825255190 788538401 /nfs/dbraw/zinc/53/84/01/788538401.db2.gz WDGJRCPXHGDTEK-UHFFFAOYSA-N -1 1 332.408 2.181 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000913007344 788542964 /nfs/dbraw/zinc/54/29/64/788542964.db2.gz UBKCIWFIGWFCFU-IBGZPJMESA-N -1 1 339.395 2.183 20 0 EEADMM CCCN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825323053 788570379 /nfs/dbraw/zinc/57/03/79/788570379.db2.gz NSFJCJFACONQLC-UHFFFAOYSA-N -1 1 340.387 2.144 20 0 EEADMM CCCN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825323053 788570388 /nfs/dbraw/zinc/57/03/88/788570388.db2.gz NSFJCJFACONQLC-UHFFFAOYSA-N -1 1 340.387 2.144 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2Cc1ccc(CF)cc1 ZINC001032370470 788587289 /nfs/dbraw/zinc/58/72/89/788587289.db2.gz YNCRVGUNPCYZGM-HOTGVXAUSA-N -1 1 341.386 2.356 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923128355 788887723 /nfs/dbraw/zinc/88/77/23/788887723.db2.gz MTOFMZPVMYHYHK-UHFFFAOYSA-N -1 1 341.289 2.408 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C1 ZINC001005948073 788977161 /nfs/dbraw/zinc/97/71/61/788977161.db2.gz CNEAWNPCIQJDII-MGPQQGTHSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)c1csc([S@](=O)CCC[N-]C(=O)C(F)(F)F)n1 ZINC000844289052 788987722 /nfs/dbraw/zinc/98/77/22/788987722.db2.gz ZEDPHINRJUZXGH-HXUWFJFHSA-N -1 1 328.381 2.443 20 0 EEADMM Cc1cscc1C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005953105 788998087 /nfs/dbraw/zinc/99/80/87/788998087.db2.gz QYKSSGUMKXCHOJ-NSHDSACASA-N -1 1 345.424 2.048 20 0 EEADMM Cc1cscc1C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005953104 788998106 /nfs/dbraw/zinc/99/81/06/788998106.db2.gz QYKSSGUMKXCHOJ-LLVKDONJSA-N -1 1 345.424 2.048 20 0 EEADMM CN(CC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)[C@@H]1CCSC1 ZINC000923170133 789047621 /nfs/dbraw/zinc/04/76/21/789047621.db2.gz LBIZSEVPUHBNAV-HUUCEWRRSA-N -1 1 342.505 2.211 20 0 EEADMM O=C(CCOC[C@H]1CCCO1)Nc1nc(Br)ccc1[O-] ZINC000156383118 789087863 /nfs/dbraw/zinc/08/78/63/789087863.db2.gz TWJQVVBNEOEVDL-SECBINFHSA-N -1 1 345.193 2.074 20 0 EEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000844663715 789298039 /nfs/dbraw/zinc/29/80/39/789298039.db2.gz XNONGOIUYQAMLS-IINYFYTJSA-N -1 1 347.408 2.353 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168398563 789573730 /nfs/dbraw/zinc/57/37/30/789573730.db2.gz NPSNHEVZDQWUCK-ZDUSSCGKSA-N -1 1 349.479 2.103 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCCc2ccc(OC(C)C)cc2)n1 ZINC000045894816 789766001 /nfs/dbraw/zinc/76/60/01/789766001.db2.gz QAWYMGNCMUEUJD-UHFFFAOYSA-N -1 1 345.403 2.141 20 0 EEADMM CSc1ccnc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000845548930 789854477 /nfs/dbraw/zinc/85/44/77/789854477.db2.gz RXFYEFGMHAMQQC-SECBINFHSA-N -1 1 334.367 2.093 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840517 789933218 /nfs/dbraw/zinc/93/32/18/789933218.db2.gz HMHKMJBSHDVVLI-UGSOOPFHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CCC2)cs1 ZINC001062839358 789938659 /nfs/dbraw/zinc/93/86/59/789938659.db2.gz NTLVGPZIKXWZSF-UHFFFAOYSA-N -1 1 345.424 2.240 20 0 EEADMM CC(C)(C)/C=C/C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839651 789938687 /nfs/dbraw/zinc/93/86/87/789938687.db2.gz YPNAPUKJAIMAAZ-JXMROGBWSA-N -1 1 331.416 2.158 20 0 EEADMM Cc1ccc(/C=C(\C#N)C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000058816972 790019540 /nfs/dbraw/zinc/01/95/40/790019540.db2.gz XVTUDNPCKWEUCI-GZTJUZNOSA-N -1 1 348.358 2.402 20 0 EEADMM O=C(NC1(CNC(=O)[C@H]2CCC[C@H](F)C2)CCC1)c1ncccc1[O-] ZINC001062997801 790098986 /nfs/dbraw/zinc/09/89/86/790098986.db2.gz POTPFQOQAQMRNT-STQMWFEESA-N -1 1 349.406 2.084 20 0 EEADMM CC(C)(C)OC(=O)N1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000846532123 790233771 /nfs/dbraw/zinc/23/37/71/790233771.db2.gz DAEJIDYVUICNNN-UHFFFAOYSA-N -1 1 334.372 2.349 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2csnn2)c1 ZINC001146818185 791504784 /nfs/dbraw/zinc/50/47/84/791504784.db2.gz CHJFQWRYFNRCCX-UHFFFAOYSA-N -1 1 330.163 2.267 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ncccc2OC(F)(F)F)c1[O-] ZINC001147834068 791990635 /nfs/dbraw/zinc/99/06/35/791990635.db2.gz LZQHKZBPWDTBFB-UHFFFAOYSA-N -1 1 343.261 2.134 20 0 EEADMM Cc1ncc(CO)c(C(=O)N[C@@H](c2ncccc2F)C2CC2)c1[O-] ZINC001147848393 792005900 /nfs/dbraw/zinc/00/59/00/792005900.db2.gz JBDBNPLSKRWJNP-CQSZACIVSA-N -1 1 331.347 2.003 20 0 EEADMM O=C(Nc1cccc2cc[nH]c21)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148926118 792814119 /nfs/dbraw/zinc/81/41/19/792814119.db2.gz DMMLMDMKTVNTHB-UHFFFAOYSA-N -1 1 332.337 2.373 20 0 EEADMM CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3O)C2)s1 ZINC000998583176 793041261 /nfs/dbraw/zinc/04/12/61/793041261.db2.gz XOHUTRANFXREQH-GFCCVEGCSA-N -1 1 346.456 2.201 20 0 EEADMM O=C(NC1(CNC(=O)C2(F)CCCCC2)CCC1)c1ncccc1[O-] ZINC001064504871 793233599 /nfs/dbraw/zinc/23/35/99/793233599.db2.gz UWRNVKBLXIATCK-UHFFFAOYSA-N -1 1 349.406 2.228 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ncc(Cl)cn1 ZINC001089272881 793930168 /nfs/dbraw/zinc/93/01/68/793930168.db2.gz RSOXAMLPMMSJKN-VHSXEESVSA-N -1 1 335.795 2.240 20 0 EEADMM Cc1cnc(C)nc1N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001089273680 793935540 /nfs/dbraw/zinc/93/55/40/793935540.db2.gz YWTTVANJCTUXJV-NEPJUHHUSA-N -1 1 329.404 2.203 20 0 EEADMM O=C(C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1)c1ccc([O-])cc1 ZINC000913686417 794102825 /nfs/dbraw/zinc/10/28/25/794102825.db2.gz KWCZINKWVFTELH-IRXDYDNUSA-N -1 1 336.391 2.060 20 0 EEADMM O=C(CSc1ccccc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913742121 794200250 /nfs/dbraw/zinc/20/02/50/794200250.db2.gz IANIWQUCDSRANY-UHFFFAOYSA-N -1 1 337.836 2.351 20 0 EEADMM C[C@]1(C(=O)N2CCC(c3nn[n-]n3)CC2)CCc2ccccc2C1 ZINC000913743982 794208292 /nfs/dbraw/zinc/20/82/92/794208292.db2.gz UXPDYXOVTHCMLZ-SFHVURJKSA-N -1 1 325.416 2.101 20 0 EEADMM CC(C)O[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000913746474 794223419 /nfs/dbraw/zinc/22/34/19/794223419.db2.gz VSUNAZWQZDJMCV-OAHLLOKOSA-N -1 1 329.404 2.072 20 0 EEADMM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913747285 794223909 /nfs/dbraw/zinc/22/39/09/794223909.db2.gz WBSHGBHXYIDYMQ-OAHLLOKOSA-N -1 1 327.432 2.483 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C)c1[O-] ZINC001079579626 794957599 /nfs/dbraw/zinc/95/75/99/794957599.db2.gz QSSNBVHFKLCQRI-QMTHXVAHSA-N -1 1 348.834 2.327 20 0 EEADMM CCCCCCC(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654738 795057470 /nfs/dbraw/zinc/05/74/70/795057470.db2.gz ZESSSUGNXJFHKS-UHFFFAOYSA-N -1 1 333.432 2.431 20 0 EEADMM Cc1csc2c1ncnc2NCCCNC(=O)c1ncccc1[O-] ZINC001094375915 796183826 /nfs/dbraw/zinc/18/38/26/796183826.db2.gz VBBFTDRACRBZGJ-UHFFFAOYSA-N -1 1 343.412 2.332 20 0 EEADMM Cc1nccc(NC2CCC(NC(=O)c3ncccc3[O-])CC2)n1 ZINC001060589144 796694549 /nfs/dbraw/zinc/69/45/49/796694549.db2.gz JUQWHQPEQKRAFW-UHFFFAOYSA-N -1 1 327.388 2.039 20 0 EEADMM CCC(=O)N[C@H](C)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001060591324 796709607 /nfs/dbraw/zinc/70/96/07/796709607.db2.gz MPBHYBHHDCWRFQ-GFCCVEGCSA-N -1 1 327.384 2.304 20 0 EEADMM CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078828878 797060799 /nfs/dbraw/zinc/06/07/99/797060799.db2.gz RNEKZHOMEKVRLG-CQSZACIVSA-N -1 1 333.432 2.431 20 0 EEADMM Cc1ccnc(NCCCCCCNC(=O)c2ncccc2[O-])n1 ZINC001094944951 797077375 /nfs/dbraw/zinc/07/73/75/797077375.db2.gz GMFHRDVGTGRXOM-UHFFFAOYSA-N -1 1 329.404 2.288 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022723 797081292 /nfs/dbraw/zinc/08/12/92/797081292.db2.gz MQETZFIPAYGOIK-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328390584 797690116 /nfs/dbraw/zinc/69/01/16/797690116.db2.gz NVGFFSBIBBQFOS-HIFRSBDPSA-N -1 1 327.384 2.002 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2ccncc2c1 ZINC001168693987 797996634 /nfs/dbraw/zinc/99/66/34/797996634.db2.gz KXEXGIFZUZMWPV-MRXNPFEDSA-N -1 1 330.351 2.267 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C1CCCC1 ZINC001002412933 798032182 /nfs/dbraw/zinc/03/21/82/798032182.db2.gz QNKBPGUMPIZFGG-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CCC2 ZINC001002413321 798032900 /nfs/dbraw/zinc/03/29/00/798032900.db2.gz UBJBLXUPEFGBCG-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CN1CCN(c2cccnc2Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001175220401 798037198 /nfs/dbraw/zinc/03/71/98/798037198.db2.gz OCYPUMLWUUUOFP-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM COc1cccc2[nH]c([N-]S(=O)(=O)c3ccc(O)c(N)c3)cc21 ZINC001176064973 798341602 /nfs/dbraw/zinc/34/16/02/798341602.db2.gz 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Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)nn1[C@H](C)C1CC1 ZINC000777188946 577474634 /nfs/dbraw/zinc/47/46/34/577474634.db2.gz QEMSHYVOMGWXJA-SNVBAGLBSA-N -1 1 347.337 2.388 20 0 EEADMM CC(=O)O[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000765086241 577494624 /nfs/dbraw/zinc/49/46/24/577494624.db2.gz ZYSRAEJPKFBXRR-NSHDSACASA-N -1 1 342.189 2.322 20 0 EEADMM Cn1[n-]c(COC(=O)c2occc2CSc2ccccc2)nc1=O ZINC000765434448 577501028 /nfs/dbraw/zinc/50/10/28/577501028.db2.gz YAHIZVKBQKXRJY-UHFFFAOYSA-N -1 1 345.380 2.351 20 0 EEADMM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765462530 577501398 /nfs/dbraw/zinc/50/13/98/577501398.db2.gz PYSWPTYJMHOKQX-GFCCVEGCSA-N -1 1 333.388 2.051 20 0 EEADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)[N-]OCC(F)(F)F)C1 ZINC000766763333 577524476 /nfs/dbraw/zinc/52/44/76/577524476.db2.gz FYSJWXFAWVRMPZ-LLVKDONJSA-N -1 1 339.358 2.064 20 0 EEADMM COc1ncccc1C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767083467 577530412 /nfs/dbraw/zinc/53/04/12/577530412.db2.gz LAXHYUUQIHOMMD-UHFFFAOYSA-N -1 1 348.211 2.271 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cc(C)cc(C)c1 ZINC000750954009 577745911 /nfs/dbraw/zinc/74/59/11/577745911.db2.gz FELSZYDDPMKFER-UHFFFAOYSA-N -1 1 338.385 2.279 20 0 EEADMM Cc1csc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000756399862 577843481 /nfs/dbraw/zinc/84/34/81/577843481.db2.gz NPQGGWVSDNJYOR-UHFFFAOYSA-N -1 1 346.412 2.493 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(OC)cc2)co1 ZINC000756533696 577845933 /nfs/dbraw/zinc/84/59/33/577845933.db2.gz TWSWLSZBLJYINF-SNVBAGLBSA-N -1 1 339.369 2.114 20 0 EEADMM O=C([N-]Cc1ccoc1)C(F)(F)C(F)(F)C(=O)NCc1ccoc1 ZINC000742580359 577874147 /nfs/dbraw/zinc/87/41/47/577874147.db2.gz NCVVGTYBALZYNV-UHFFFAOYSA-N -1 1 348.252 2.076 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(C)cccc2F)o1 ZINC000748068836 577954430 /nfs/dbraw/zinc/95/44/30/577954430.db2.gz SWNOIKJAMIIWRV-UHFFFAOYSA-N -1 1 341.360 2.382 20 0 EEADMM C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)ccc1[O-] ZINC000750538417 577994617 /nfs/dbraw/zinc/99/46/17/577994617.db2.gz IKYBRSVRSAJFCK-JTQLQIEISA-N -1 1 326.368 2.422 20 0 EEADMM Cc1oc(CN2CCCN(c3ccc(C)nn3)CC2)cc1C(=O)[O-] ZINC000738614224 578021345 /nfs/dbraw/zinc/02/13/45/578021345.db2.gz HHUSWJOORWBUBR-UHFFFAOYSA-N -1 1 330.388 2.097 20 0 EEADMM Cc1ccccc1[C@H]1CC(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000738761192 578025950 /nfs/dbraw/zinc/02/59/50/578025950.db2.gz POIJFAMTXHUQLP-DOTOQJQBSA-N -1 1 342.439 2.455 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1 ZINC000739713086 578065189 /nfs/dbraw/zinc/06/51/89/578065189.db2.gz XPUXYHCVCDPBAI-UHFFFAOYSA-N -1 1 348.340 2.446 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000740016853 578077306 /nfs/dbraw/zinc/07/73/06/578077306.db2.gz AURXRVHWOLMWGI-MRXNPFEDSA-N -1 1 346.431 2.199 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCCCSC)cc1 ZINC000740326490 578090422 /nfs/dbraw/zinc/09/04/22/578090422.db2.gz QDWQBKIQOMRWDY-UHFFFAOYSA-N -1 1 339.413 2.028 20 0 EEADMM O=C([O-])CSCC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000740486871 578095841 /nfs/dbraw/zinc/09/58/41/578095841.db2.gz NLTNKHXSBDWYPS-LBPRGKRZSA-N -1 1 335.385 2.171 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735873970 578171123 /nfs/dbraw/zinc/17/11/23/578171123.db2.gz BZNVRTFGMCZJQG-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735873970 578171124 /nfs/dbraw/zinc/17/11/24/578171124.db2.gz BZNVRTFGMCZJQG-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735913845 578173581 /nfs/dbraw/zinc/17/35/81/578173581.db2.gz SREWGOQNNDJCIM-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735913845 578173582 /nfs/dbraw/zinc/17/35/82/578173582.db2.gz SREWGOQNNDJCIM-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736327730 578196184 /nfs/dbraw/zinc/19/61/84/578196184.db2.gz UBWRXFSMRCHYSU-LLVKDONJSA-N -1 1 343.391 2.035 20 0 EEADMM CCOC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736611828 578214948 /nfs/dbraw/zinc/21/49/48/578214948.db2.gz WAMZFKJVAJDRHN-GFCCVEGCSA-N -1 1 339.403 2.063 20 0 EEADMM CCOC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736611828 578214949 /nfs/dbraw/zinc/21/49/49/578214949.db2.gz WAMZFKJVAJDRHN-GFCCVEGCSA-N -1 1 339.403 2.063 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816585 578225398 /nfs/dbraw/zinc/22/53/98/578225398.db2.gz KMEQQSLQIXLYQI-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816585 578225399 /nfs/dbraw/zinc/22/53/99/578225399.db2.gz KMEQQSLQIXLYQI-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736829194 578226195 /nfs/dbraw/zinc/22/61/95/578226195.db2.gz VZWPUGFFTYWDBX-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736829194 578226196 /nfs/dbraw/zinc/22/61/96/578226196.db2.gz VZWPUGFFTYWDBX-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737320107 578250223 /nfs/dbraw/zinc/25/02/23/578250223.db2.gz NPWDDDUMBZKHED-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737320107 578250224 /nfs/dbraw/zinc/25/02/24/578250224.db2.gz NPWDDDUMBZKHED-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Clc1cc(CNc2cccc(-c3nnn[n-]3)n2)cc2c1OCCO2 ZINC000737565036 578264467 /nfs/dbraw/zinc/26/44/67/578264467.db2.gz MUOXXRMJDDMHTF-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Clc1cc(CNc2cccc(-c3nn[n-]n3)n2)cc2c1OCCO2 ZINC000737565036 578264468 /nfs/dbraw/zinc/26/44/68/578264468.db2.gz MUOXXRMJDDMHTF-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Cn1cncc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737619577 578268095 /nfs/dbraw/zinc/26/80/95/578268095.db2.gz VXFIOZZYCKDBBG-OAHLLOKOSA-N -1 1 341.394 2.467 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Sc1ccccc1 ZINC000820268747 599192994 /nfs/dbraw/zinc/19/29/94/599192994.db2.gz DURHHPKYJABWSF-LLVKDONJSA-N -1 1 340.412 2.172 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Sc1ccccc1 ZINC000820268747 599192996 /nfs/dbraw/zinc/19/29/96/599192996.db2.gz DURHHPKYJABWSF-LLVKDONJSA-N -1 1 340.412 2.172 20 0 EEADMM CC(C)C[C@@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000817887473 597016508 /nfs/dbraw/zinc/01/65/08/597016508.db2.gz BJGROIOEMZHUFX-OAHLLOKOSA-N -1 1 348.447 2.059 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN3CCC[C@@H](CC(=O)[O-])C3)C2)cc1 ZINC000821075575 597759397 /nfs/dbraw/zinc/75/93/97/597759397.db2.gz BKMPYINOGAWSKK-DOTOQJQBSA-N -1 1 330.428 2.455 20 0 EEADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000821539413 598095992 /nfs/dbraw/zinc/09/59/92/598095992.db2.gz VTLKTCBLDIMDFR-UHFFFAOYSA-N -1 1 326.761 2.163 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)Nc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000820251815 598178213 /nfs/dbraw/zinc/17/82/13/598178213.db2.gz KQRUVTTVIMYOHT-CHWSQXEVSA-N -1 1 335.404 2.006 20 0 EEADMM c1cnn(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000823791621 599538058 /nfs/dbraw/zinc/53/80/58/599538058.db2.gz GCQIBIHNJMPACU-ZDUSSCGKSA-N -1 1 346.398 2.280 20 0 EEADMM c1cnn(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000823791621 599538060 /nfs/dbraw/zinc/53/80/60/599538060.db2.gz GCQIBIHNJMPACU-ZDUSSCGKSA-N -1 1 346.398 2.280 20 0 EEADMM CCc1nc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n[nH]1 ZINC000830334694 600805356 /nfs/dbraw/zinc/80/53/56/600805356.db2.gz BNBMMPXRLYMBMH-QMMMGPOBSA-N -1 1 338.414 2.024 20 0 EEADMM CCc1n[nH]c(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000830334694 600805357 /nfs/dbraw/zinc/80/53/57/600805357.db2.gz BNBMMPXRLYMBMH-QMMMGPOBSA-N -1 1 338.414 2.024 20 0 EEADMM C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)N(C)Cc1ccccc1 ZINC000826005524 600972222 /nfs/dbraw/zinc/97/22/22/600972222.db2.gz YBULPUKKBQXTMO-QAPCUYQASA-N -1 1 340.423 2.492 20 0 EEADMM CN(C[C@H]1CN(C)CCO1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830959727 601002106 /nfs/dbraw/zinc/00/21/06/601002106.db2.gz AQUSTHOMOUNVCI-BXUZGUMPSA-N -1 1 347.242 2.382 20 0 EEADMM CSc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832780930 601128197 /nfs/dbraw/zinc/12/81/97/601128197.db2.gz MCSPNMKORSKDJY-LBPRGKRZSA-N -1 1 337.445 2.421 20 0 EEADMM Cc1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832948791 601338412 /nfs/dbraw/zinc/33/84/12/601338412.db2.gz DYQSHICTRYIUER-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000828758488 601427900 /nfs/dbraw/zinc/42/79/00/601427900.db2.gz LGNWGGHUTCDYNH-HUUCEWRRSA-N -1 1 348.443 2.485 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000831527598 601540185 /nfs/dbraw/zinc/54/01/85/601540185.db2.gz XKUKSJARBPCEER-RDTXWAMCSA-N -1 1 334.416 2.459 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCN1C[C@H](C)O ZINC000829140553 602063142 /nfs/dbraw/zinc/06/31/42/602063142.db2.gz FAOMTQVNMFEKSE-JSGCOSHPSA-N -1 1 349.431 2.002 20 0 EEADMM COc1ccccc1[C@H](CNC(=O)[C@H](C)CC(=O)[O-])N1CCCC1 ZINC000832593985 602073590 /nfs/dbraw/zinc/07/35/90/602073590.db2.gz AJNTVDBZSKKTOH-HIFRSBDPSA-N -1 1 334.416 2.059 20 0 EEADMM Cc1ccc(-c2n[nH]c(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)n2)o1 ZINC000832907747 602144093 /nfs/dbraw/zinc/14/40/93/602144093.db2.gz KSAZIDYZBRHOAN-UHFFFAOYSA-N -1 1 329.316 2.269 20 0 EEADMM Cn1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C(=O)[O-] ZINC000833049622 602355389 /nfs/dbraw/zinc/35/53/89/602355389.db2.gz FPEGNEAIFYLBSB-AWEZNQCLSA-N -1 1 346.387 2.275 20 0 EEADMM Cc1cc(C)c(NC(=O)CCCN2CCO[C@H](C(=O)[O-])C2)c(C)c1 ZINC000818801293 604467192 /nfs/dbraw/zinc/46/71/92/604467192.db2.gz OXDCPGHCQVQHBF-HNNXBMFYSA-N -1 1 334.416 2.116 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3cn[nH]c31)C2 ZINC000833324360 604540517 /nfs/dbraw/zinc/54/05/17/604540517.db2.gz ADFZEHWORBGPNC-AWEZNQCLSA-N -1 1 326.356 2.211 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1)C(=O)[O-] ZINC000833544420 604635388 /nfs/dbraw/zinc/63/53/88/604635388.db2.gz XLMSMWDXOVPQLR-GDLCADMTSA-N -1 1 347.333 2.426 20 0 EEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833634653 604752946 /nfs/dbraw/zinc/75/29/46/604752946.db2.gz JQPPWGZYOSIIIV-GOEBONIOSA-N -1 1 330.428 2.403 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cnn(-c3ccccc3)c2)O1 ZINC000833582483 604824221 /nfs/dbraw/zinc/82/42/21/604824221.db2.gz FEYKOBYIQDAYHD-MRXNPFEDSA-N -1 1 327.384 2.452 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[C@H](C)C1 ZINC000833604395 605050962 /nfs/dbraw/zinc/05/09/62/605050962.db2.gz SBVRONQLPSHDAR-KBXIAJHMSA-N -1 1 325.453 2.002 20 0 EEADMM COc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833731541 605100408 /nfs/dbraw/zinc/10/04/08/605100408.db2.gz IUFDRONIZKRGQX-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM C[C@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCN1CCC(=O)[O-] ZINC000833620232 605254054 /nfs/dbraw/zinc/25/40/54/605254054.db2.gz VXZVGXQOKBKQFK-HNNXBMFYSA-N -1 1 332.444 2.362 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1CCC(=O)[O-] ZINC000833619288 605256197 /nfs/dbraw/zinc/25/61/97/605256197.db2.gz BYWIQXKGZOFITF-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)CCN1CCC(=O)[O-] ZINC000833618475 605276646 /nfs/dbraw/zinc/27/66/46/605276646.db2.gz OPDFNEOUUXLLQU-LLPBQKLSSA-N -1 1 336.819 2.361 20 0 EEADMM C/C(=C\c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833382098 605474173 /nfs/dbraw/zinc/47/41/73/605474173.db2.gz BWKVXCLPEHVIEB-ASNKMWSDSA-N -1 1 330.428 2.406 20 0 EEADMM CS[C@@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826225422 607763987 /nfs/dbraw/zinc/76/39/87/607763987.db2.gz BPEZZKLXRSKEIL-VIFPVBQESA-N -1 1 346.416 2.040 20 0 EEADMM CS[C@@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826225422 607763988 /nfs/dbraw/zinc/76/39/88/607763988.db2.gz BPEZZKLXRSKEIL-VIFPVBQESA-N -1 1 346.416 2.040 20 0 EEADMM C[C@H](OCc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820518449 606194985 /nfs/dbraw/zinc/19/49/85/606194985.db2.gz DUYFETYHBYQKIM-NSHDSACASA-N -1 1 339.355 2.116 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000822531180 606238930 /nfs/dbraw/zinc/23/89/30/606238930.db2.gz WFFVXEKBZDGXEV-BQYQJAHWSA-N -1 1 344.375 2.447 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000822531180 606238931 /nfs/dbraw/zinc/23/89/31/606238931.db2.gz WFFVXEKBZDGXEV-BQYQJAHWSA-N -1 1 344.375 2.447 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000822487039 606361551 /nfs/dbraw/zinc/36/15/51/606361551.db2.gz YWSTUHVYAVMTSB-UHFFFAOYSA-N -1 1 335.375 2.004 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000822487039 606361552 /nfs/dbraw/zinc/36/15/52/606361552.db2.gz YWSTUHVYAVMTSB-UHFFFAOYSA-N -1 1 335.375 2.004 20 0 EEADMM CN(C)C(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821577945 606411004 /nfs/dbraw/zinc/41/10/04/606411004.db2.gz FURHDKIZFWKLSZ-UHFFFAOYSA-N -1 1 342.428 2.171 20 0 EEADMM COc1ccc(OC)c([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821842822 606443709 /nfs/dbraw/zinc/44/37/09/606443709.db2.gz VRVOYBDFOQPMQQ-JTQLQIEISA-N -1 1 326.360 2.452 20 0 EEADMM COc1ccc(OC)c([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821842822 606443711 /nfs/dbraw/zinc/44/37/11/606443711.db2.gz VRVOYBDFOQPMQQ-JTQLQIEISA-N -1 1 326.360 2.452 20 0 EEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000823705848 606467884 /nfs/dbraw/zinc/46/78/84/606467884.db2.gz HZGNDGUUARUIQH-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM OC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000823705848 606467885 /nfs/dbraw/zinc/46/78/85/606467885.db2.gz HZGNDGUUARUIQH-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM COCc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821695900 606511967 /nfs/dbraw/zinc/51/19/67/606511967.db2.gz MMHBAQPGRCLHFR-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COCc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821695900 606511969 /nfs/dbraw/zinc/51/19/69/606511969.db2.gz MMHBAQPGRCLHFR-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821077410 606530256 /nfs/dbraw/zinc/53/02/56/606530256.db2.gz FGBTXDXVTVAGMU-UHFFFAOYSA-N -1 1 327.348 2.021 20 0 EEADMM CCCCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821077410 606530258 /nfs/dbraw/zinc/53/02/58/606530258.db2.gz FGBTXDXVTVAGMU-UHFFFAOYSA-N -1 1 327.348 2.021 20 0 EEADMM CS[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821943033 606651720 /nfs/dbraw/zinc/65/17/20/606651720.db2.gz SDLYCWLTYVOLSB-CQSZACIVSA-N -1 1 341.396 2.409 20 0 EEADMM CS[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821943033 606651721 /nfs/dbraw/zinc/65/17/21/606651721.db2.gz SDLYCWLTYVOLSB-CQSZACIVSA-N -1 1 341.396 2.409 20 0 EEADMM O=C(CCCOc1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959089 606652220 /nfs/dbraw/zinc/65/22/20/606652220.db2.gz RBOACDNQNVVRQR-UHFFFAOYSA-N -1 1 339.355 2.164 20 0 EEADMM O=C(CCCOc1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959089 606652221 /nfs/dbraw/zinc/65/22/21/606652221.db2.gz RBOACDNQNVVRQR-UHFFFAOYSA-N -1 1 339.355 2.164 20 0 EEADMM Clc1ccc(-c2cnc(Cn3ccnc3-c3nnn[n-]3)o2)cc1 ZINC000822568606 606655138 /nfs/dbraw/zinc/65/51/38/606655138.db2.gz TUIPKOGVKFHRNH-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1ccc(-c2cnc(Cn3ccnc3-c3nn[n-]n3)o2)cc1 ZINC000822568606 606655139 /nfs/dbraw/zinc/65/51/39/606655139.db2.gz TUIPKOGVKFHRNH-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM CCCCCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043124 606697078 /nfs/dbraw/zinc/69/70/78/606697078.db2.gz LOMKIJCVOYVEOB-UHFFFAOYSA-N -1 1 334.428 2.328 20 0 EEADMM CCCCCC(C)(C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043124 606697079 /nfs/dbraw/zinc/69/70/79/606697079.db2.gz LOMKIJCVOYVEOB-UHFFFAOYSA-N -1 1 334.428 2.328 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820518392 606762066 /nfs/dbraw/zinc/76/20/66/606762066.db2.gz CYJYMAKICZURHP-GFCCVEGCSA-N -1 1 345.403 2.433 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820518392 606762068 /nfs/dbraw/zinc/76/20/68/606762068.db2.gz CYJYMAKICZURHP-GFCCVEGCSA-N -1 1 345.403 2.433 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cnc(-c2ccco2)s1 ZINC000823383604 607105407 /nfs/dbraw/zinc/10/54/07/607105407.db2.gz VZXWTTATYGCLTG-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cnc(-c2ccco2)s1 ZINC000823383604 607105408 /nfs/dbraw/zinc/10/54/08/607105408.db2.gz VZXWTTATYGCLTG-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)COc2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC000824925799 607866059 /nfs/dbraw/zinc/86/60/59/607866059.db2.gz HEWMRWMZDVDCOM-NQBHXWOUSA-N -1 1 347.394 2.326 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)COc2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC000824925799 607866060 /nfs/dbraw/zinc/86/60/60/607866060.db2.gz HEWMRWMZDVDCOM-NQBHXWOUSA-N -1 1 347.394 2.326 20 0 EEADMM Cc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292051 607874995 /nfs/dbraw/zinc/87/49/95/607874995.db2.gz GHHDYEKGXQZBGU-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292051 607874996 /nfs/dbraw/zinc/87/49/96/607874996.db2.gz GHHDYEKGXQZBGU-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM CN(Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)nn1 ZINC000825980717 607987836 /nfs/dbraw/zinc/98/78/36/607987836.db2.gz HRELQCUMHSLNST-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)nn1 ZINC000825980717 607987837 /nfs/dbraw/zinc/98/78/37/607987837.db2.gz HRELQCUMHSLNST-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM Clc1cc(Cl)c2nc(Cn3ccnc3-c3nnn[n-]3)cn2c1 ZINC000826351065 608012881 /nfs/dbraw/zinc/01/28/81/608012881.db2.gz WBQNKHTYQAXMRT-UHFFFAOYSA-N -1 1 335.158 2.066 20 0 EEADMM Clc1cc(Cl)c2nc(Cn3ccnc3-c3nn[n-]n3)cn2c1 ZINC000826351065 608012882 /nfs/dbraw/zinc/01/28/82/608012882.db2.gz WBQNKHTYQAXMRT-UHFFFAOYSA-N -1 1 335.158 2.066 20 0 EEADMM Clc1nsc(N2CCO[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826354353 608189797 /nfs/dbraw/zinc/18/97/97/608189797.db2.gz ZDGIGOIJKCQQRX-YUMQZZPRSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nsc(N2CCO[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826354353 608189799 /nfs/dbraw/zinc/18/97/99/608189799.db2.gz ZDGIGOIJKCQQRX-YUMQZZPRSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)Cc1ccc(Cl)cc1 ZINC000824391433 608278691 /nfs/dbraw/zinc/27/86/91/608278691.db2.gz IVOQGRFVPMKIBR-VIFPVBQESA-N -1 1 345.794 2.208 20 0 EEADMM CC(C)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(=O)[nH]1 ZINC000824343107 608554526 /nfs/dbraw/zinc/55/45/26/608554526.db2.gz WXOMZKCYKUHLLT-UHFFFAOYSA-N -1 1 340.343 2.049 20 0 EEADMM Fc1ccc(Oc2nccnc2-c2nn[n-]n2)cc1Br ZINC000826375831 608588474 /nfs/dbraw/zinc/58/84/74/608588474.db2.gz DGOKGCPBXMEGNV-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cccc(-n2ccc(NCc3nccs3)n2)c1-c1nn[n-]n1 ZINC000826376764 609279624 /nfs/dbraw/zinc/27/96/24/609279624.db2.gz QTUOLTLXYDGDKH-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM CS[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC000826226141 609550830 /nfs/dbraw/zinc/55/08/30/609550830.db2.gz SQKUGXYQPRVCDB-JTQLQIEISA-N -1 1 325.463 2.436 20 0 EEADMM CS[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC000826226141 609550828 /nfs/dbraw/zinc/55/08/28/609550828.db2.gz SQKUGXYQPRVCDB-JTQLQIEISA-N -1 1 325.463 2.436 20 0 EEADMM Cc1cnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)c1 ZINC000826318232 609591737 /nfs/dbraw/zinc/59/17/37/609591737.db2.gz ZSALEFMBWUNJLU-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1cnc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(C)c1 ZINC000826318232 609591739 /nfs/dbraw/zinc/59/17/39/609591739.db2.gz ZSALEFMBWUNJLU-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM C[C@@H]1CN(C(=O)CC2CCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020724491 675451730 /nfs/dbraw/zinc/45/17/30/675451730.db2.gz XJWSRHDRBOLOJZ-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM CCOc1ccccc1N1CCN(c2cc(=O)[n-]c(COC)n2)CC1 ZINC000891409836 676572982 /nfs/dbraw/zinc/57/29/82/676572982.db2.gz LDADPGLXOUOSIN-UHFFFAOYSA-N -1 1 344.415 2.054 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCc2ccccc2O1 ZINC000891614072 676722823 /nfs/dbraw/zinc/72/28/23/676722823.db2.gz LFXOZZSDFAMNHK-HNNXBMFYSA-N -1 1 325.368 2.393 20 0 EEADMM CC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCC2(CC1)OCCO2 ZINC000892151419 676914824 /nfs/dbraw/zinc/91/48/24/676914824.db2.gz CQIWOQJVPAWUGL-UHFFFAOYSA-N -1 1 334.298 2.085 20 0 EEADMM COc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])N(C)C)c1 ZINC000382384074 677900303 /nfs/dbraw/zinc/90/03/03/677900303.db2.gz KUQUWZFSUNJRQB-IXDOHACOSA-N -1 1 348.443 2.305 20 0 EEADMM COCc1nc(N[C@H](C)c2cccc(N3CCOC3=O)c2)cc(=O)[n-]1 ZINC000892032594 677926961 /nfs/dbraw/zinc/92/69/61/677926961.db2.gz OLXGTRRUULVGGZ-LLVKDONJSA-N -1 1 344.371 2.458 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)[N-]OCc2ccccn2)C1 ZINC000909537078 685393507 /nfs/dbraw/zinc/39/35/07/685393507.db2.gz UFUWMKQYEOXLKF-QGZVFWFLSA-N -1 1 335.404 2.277 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCCOc2ccc(C(C)C)cc2)n1 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C[C@H](O)C[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609128385 1351854070 /nfs/dbraw/zinc/85/40/70/1351854070.db2.gz NBYPDEMIJZYFHO-WDEREUQCSA-N -1 1 335.433 2.084 20 0 EEADMM C[C@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001609150801 1351863203 /nfs/dbraw/zinc/86/32/03/1351863203.db2.gz SMNFBDDAHZSUKR-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001609150801 1351863204 /nfs/dbraw/zinc/86/32/04/1351863204.db2.gz SMNFBDDAHZSUKR-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001609163419 1351870727 /nfs/dbraw/zinc/87/07/27/1351870727.db2.gz ZKLDBIYXSWQJEC-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CCC[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001609163419 1351870730 /nfs/dbraw/zinc/87/07/30/1351870730.db2.gz ZKLDBIYXSWQJEC-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM CCN1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001609228360 1351902273 /nfs/dbraw/zinc/90/22/73/1351902273.db2.gz OPVDEVNISDXWJA-UHFFFAOYSA-N -1 1 340.412 2.415 20 0 EEADMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001327906250 1334362609 /nfs/dbraw/zinc/36/26/09/1334362609.db2.gz AJYFIVHXWROBIC-QMMMGPOBSA-N -1 1 327.233 2.074 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609311657 1351928440 /nfs/dbraw/zinc/92/84/40/1351928440.db2.gz ZWCILJDRYDGTGW-ZBEGNZNMSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609311657 1351928442 /nfs/dbraw/zinc/92/84/42/1351928442.db2.gz ZWCILJDRYDGTGW-ZBEGNZNMSA-N -1 1 342.378 2.319 20 0 EEADMM COc1ccccc1C[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001609363834 1351947352 /nfs/dbraw/zinc/94/73/52/1351947352.db2.gz ZQRWWRMIGYCHGB-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM COc1ccccc1C[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001609363834 1351947353 /nfs/dbraw/zinc/94/73/53/1351947353.db2.gz ZQRWWRMIGYCHGB-CQSZACIVSA-N -1 1 336.399 2.482 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609362331 1351947361 /nfs/dbraw/zinc/94/73/61/1351947361.db2.gz JOMIHXYFOVLLJN-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM COc1cccc(O[C@@H](C)CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609362331 1351947362 /nfs/dbraw/zinc/94/73/62/1351947362.db2.gz JOMIHXYFOVLLJN-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM C[C@@]1(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CC1(Cl)Cl ZINC001330693206 1334887535 /nfs/dbraw/zinc/88/75/35/1334887535.db2.gz ACHHYVKJZMVMBO-NSHDSACASA-N -1 1 331.228 2.332 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001609403380 1351962640 /nfs/dbraw/zinc/96/26/40/1351962640.db2.gz CPEWOYRAKSWJID-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1ccc(C2=NO[C@@H](CNc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609421741 1351969918 /nfs/dbraw/zinc/96/99/18/1351969918.db2.gz XQBNBZRTNXCPAH-CYBMUJFWSA-N -1 1 335.371 2.175 20 0 EEADMM Cc1ccc(C2=NO[C@@H](CNc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609421741 1351969919 /nfs/dbraw/zinc/96/99/19/1351969919.db2.gz XQBNBZRTNXCPAH-CYBMUJFWSA-N -1 1 335.371 2.175 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609436211 1351976256 /nfs/dbraw/zinc/97/62/56/1351976256.db2.gz WYFVESNRQMGEAY-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609436211 1351976259 /nfs/dbraw/zinc/97/62/59/1351976259.db2.gz WYFVESNRQMGEAY-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609428156 1351972904 /nfs/dbraw/zinc/97/29/04/1351972904.db2.gz KALTWOVFMUHYGA-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609428156 1351972905 /nfs/dbraw/zinc/97/29/05/1351972905.db2.gz KALTWOVFMUHYGA-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001334989852 1336322146 /nfs/dbraw/zinc/32/21/46/1336322146.db2.gz CHTPIMVYYJLUFI-SECBINFHSA-N -1 1 341.260 2.464 20 0 EEADMM CC(C)(NCCc1nc(-c2ccccc2)no1)c1nocc1C(=O)[O-] ZINC001609680533 1352057730 /nfs/dbraw/zinc/05/77/30/1352057730.db2.gz WLCBGOKVOUPBFH-UHFFFAOYSA-N -1 1 342.355 2.490 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3cc2N)CC1 ZINC001609735164 1352072206 /nfs/dbraw/zinc/07/22/06/1352072206.db2.gz LJHXUVSOBWHAKL-ZDUSSCGKSA-N -1 1 341.411 2.043 20 0 EEADMM O=C(NCCc1nc(Cc2ccccc2)no1)c1ccc([O-])cc1F ZINC001336782098 1336594156 /nfs/dbraw/zinc/59/41/56/1336594156.db2.gz IGWDIZDNHNZAJF-UHFFFAOYSA-N -1 1 341.342 2.478 20 0 EEADMM C[C@@H](CS(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001609751074 1352076494 /nfs/dbraw/zinc/07/64/94/1352076494.db2.gz VOEOEIWBWGYUIV-QMMMGPOBSA-N -1 1 341.763 2.072 20 0 EEADMM C[C@]1(c2ccccc2)CC(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC001609825837 1352094739 /nfs/dbraw/zinc/09/47/39/1352094739.db2.gz ZZICLDCLLVHIJH-APWZRJJASA-N -1 1 342.439 2.321 20 0 EEADMM COCC1=CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)CC1 ZINC001339679486 1337051866 /nfs/dbraw/zinc/05/18/66/1337051866.db2.gz JGRRCYPYYILUHB-UHFFFAOYSA-N -1 1 335.795 2.019 20 0 EEADMM CC[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@H](C)O1 ZINC001339680907 1337052241 /nfs/dbraw/zinc/05/22/41/1337052241.db2.gz PIRQGAFCEXKGRC-UWVGGRQHSA-N -1 1 337.811 2.240 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609900245 1352114472 /nfs/dbraw/zinc/11/44/72/1352114472.db2.gz NZOGCXYROBLCAE-WBMJQRKESA-N -1 1 336.407 2.410 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609938932 1352124937 /nfs/dbraw/zinc/12/49/37/1352124937.db2.gz KJWAJQYNECFLRL-ZFWWWQNUSA-N -1 1 336.457 2.032 20 0 EEADMM CCC[C@H]1CN([C@@H](C(=O)[O-])c2ccsc2)CCN1CCOC ZINC001609959510 1352130337 /nfs/dbraw/zinc/13/03/37/1352130337.db2.gz FSAVCKPAKPWBCD-LSDHHAIUSA-N -1 1 326.462 2.307 20 0 EEADMM CCN(C)C(=O)CCN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001609990263 1352135385 /nfs/dbraw/zinc/13/53/85/1352135385.db2.gz WKFGZHYMFOCTRE-LLVKDONJSA-N -1 1 325.434 2.155 20 0 EEADMM CCC(CC)[C@H](CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)OC ZINC001349343791 1337618259 /nfs/dbraw/zinc/61/82/59/1337618259.db2.gz ZQDLMKPBVRWTSQ-NSHDSACASA-N -1 1 327.450 2.350 20 0 EEADMM CCc1c(NC(=O)c2c[nH]c(C(=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001610057044 1352151519 /nfs/dbraw/zinc/15/15/19/1352151519.db2.gz NFJYELPPDOFQFM-UHFFFAOYSA-N -1 1 325.328 2.313 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C3)ccc1F ZINC001200510086 1338377872 /nfs/dbraw/zinc/37/78/72/1338377872.db2.gz QBLLHVGJLKPECI-UHFFFAOYSA-N -1 1 336.344 2.130 20 0 EEADMM COc1ccc(-c2noc(CN(C)C(C)(C)CC(=O)[O-])n2)c(OC)c1 ZINC001610309691 1352203656 /nfs/dbraw/zinc/20/36/56/1352203656.db2.gz XXMUTVFLEGXYBA-UHFFFAOYSA-N -1 1 349.387 2.439 20 0 EEADMM COC(=O)c1c[n-]c(SC[C@H](O)c2cc(OC)ccc2OC)n1 ZINC000848434856 1338700757 /nfs/dbraw/zinc/70/07/57/1338700757.db2.gz MMPYBPSAWLRWOP-LBPRGKRZSA-N -1 1 338.385 2.039 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@H](N)c2ccccc2C)C(=O)[O-])cc1 ZINC001610491763 1352232436 /nfs/dbraw/zinc/23/24/36/1352232436.db2.gz OGXKCCXXMFPMSS-IAGOWNOFSA-N -1 1 326.396 2.288 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])sc1C ZINC001429015338 1339768041 /nfs/dbraw/zinc/76/80/41/1339768041.db2.gz TWPVZFMEEYEAHA-LLVKDONJSA-N -1 1 347.440 2.404 20 0 EEADMM O=C([O-])c1nccc2c1cccc2S(=O)(=O)Nc1cccnc1 ZINC001610869669 1352288117 /nfs/dbraw/zinc/28/81/17/1352288117.db2.gz KVRNMJXNUDHJGO-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(F)(F)F ZINC001431101396 1340449467 /nfs/dbraw/zinc/44/94/67/1340449467.db2.gz KTJMICGGDNBHBO-SNVBAGLBSA-N -1 1 347.337 2.000 20 0 EEADMM O=C(Cc1ccc(Cl)s1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001557724537 1342453831 /nfs/dbraw/zinc/45/38/31/1342453831.db2.gz YIVBCRIBKHPVCI-CYBMUJFWSA-N -1 1 333.804 2.363 20 0 EEADMM CCC(=O)N1CC[C@@H](C)C[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001576420777 1344012293 /nfs/dbraw/zinc/01/22/93/1344012293.db2.gz FUCPXFDCDYCQJF-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM CCCC1(C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577363951 1344134568 /nfs/dbraw/zinc/13/45/68/1344134568.db2.gz OJDGYZNLBRGHMO-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CN(C(=O)c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578912461 1344318547 /nfs/dbraw/zinc/31/85/47/1344318547.db2.gz GKYJUAYQQJCOBO-UHFFFAOYSA-N -1 1 347.338 2.193 20 0 EEADMM CSc1cccc(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001580234565 1344495939 /nfs/dbraw/zinc/49/59/39/1344495939.db2.gz FFPFLTDLZKJESF-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM CSc1cccc(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001580234565 1344495943 /nfs/dbraw/zinc/49/59/43/1344495943.db2.gz FFPFLTDLZKJESF-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C)c2)c1-c1nnn[n-]1 ZINC001580980547 1344578361 /nfs/dbraw/zinc/57/83/61/1344578361.db2.gz FHNDUPODHHNKPN-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C)c2)c1-c1nn[n-]n1 ZINC001580980547 1344578364 /nfs/dbraw/zinc/57/83/64/1344578364.db2.gz FHNDUPODHHNKPN-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Clc1sc(NCc2nc3c([nH]2)CCCC3)nc1-c1nn[n-]n1 ZINC001581746864 1344660477 /nfs/dbraw/zinc/66/04/77/1344660477.db2.gz PEOVENMNKVCRAW-UHFFFAOYSA-N -1 1 336.812 2.191 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC12CCSCC2 ZINC001582548922 1344761125 /nfs/dbraw/zinc/76/11/25/1344761125.db2.gz ZJJXICNNEJSLNH-JTQLQIEISA-N -1 1 335.458 2.078 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001588765722 1348931996 /nfs/dbraw/zinc/93/19/96/1348931996.db2.gz JUMQROIITONIHD-SOFGYWHQSA-N -1 1 327.323 2.079 20 0 EEADMM CC(C)(CNc1ccnc(-c2nnn[n-]2)c1)Oc1cc(F)cc(F)c1 ZINC001589292987 1348980408 /nfs/dbraw/zinc/98/04/08/1348980408.db2.gz LZTOQRVUHPXXIR-UHFFFAOYSA-N -1 1 346.341 2.231 20 0 EEADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)c1)Oc1cc(F)cc(F)c1 ZINC001589292987 1348980413 /nfs/dbraw/zinc/98/04/13/1348980413.db2.gz LZTOQRVUHPXXIR-UHFFFAOYSA-N -1 1 346.341 2.231 20 0 EEADMM CC(C)COC[C@@H](NCc1cccc(-c2nn[n-]n2)n1)c1ccco1 ZINC001589640187 1349015061 /nfs/dbraw/zinc/01/50/61/1349015061.db2.gz DDMKCXWPFJDDPC-OAHLLOKOSA-N -1 1 342.403 2.358 20 0 EEADMM CC(C)Cc1nc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cs1 ZINC001589664846 1349016547 /nfs/dbraw/zinc/01/65/47/1349016547.db2.gz ZDZMNGWYGMKWNF-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM CC(C)Cc1nc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cs1 ZINC001589664846 1349016548 /nfs/dbraw/zinc/01/65/48/1349016548.db2.gz ZDZMNGWYGMKWNF-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM CC(C)N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC001589673149 1349018951 /nfs/dbraw/zinc/01/89/51/1349018951.db2.gz VWXTZGVPLQSYCJ-UHFFFAOYSA-N -1 1 328.420 2.374 20 0 EEADMM CC(C)N(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001589673149 1349018957 /nfs/dbraw/zinc/01/89/57/1349018957.db2.gz VWXTZGVPLQSYCJ-UHFFFAOYSA-N -1 1 328.420 2.374 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001589834528 1349052586 /nfs/dbraw/zinc/05/25/86/1349052586.db2.gz IDDONZZAWMKZEQ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@H](CCOCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001589834528 1349052592 /nfs/dbraw/zinc/05/25/92/1349052592.db2.gz IDDONZZAWMKZEQ-GFCCVEGCSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](Cc1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589903351 1349058920 /nfs/dbraw/zinc/05/89/20/1349058920.db2.gz ZUIQBLMLSQOFSN-QMMMGPOBSA-N -1 1 348.819 2.338 20 0 EEADMM CC1(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC=CC1 ZINC001590146104 1349174493 /nfs/dbraw/zinc/17/44/93/1349174493.db2.gz JSURVNRDDCHUHV-UHFFFAOYSA-N -1 1 338.293 2.119 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001590214023 1349204751 /nfs/dbraw/zinc/20/47/51/1349204751.db2.gz IBPWSZWJVJZKQG-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001590214023 1349204760 /nfs/dbraw/zinc/20/47/60/1349204760.db2.gz IBPWSZWJVJZKQG-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)C1 ZINC001590225139 1349211026 /nfs/dbraw/zinc/21/10/26/1349211026.db2.gz YHYKYOIYSUZBQD-RYUDHWBXSA-N -1 1 346.460 2.013 20 0 EEADMM C[C@H]1CN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC[C@@H]1C ZINC001590266566 1349239887 /nfs/dbraw/zinc/23/98/87/1349239887.db2.gz DHZCTRFPFKITIY-BQBZGAKWSA-N -1 1 341.828 2.486 20 0 EEADMM CC[C@@H](C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1c(C)noc1C ZINC001590371904 1349288734 /nfs/dbraw/zinc/28/87/34/1349288734.db2.gz LMSVDFRRMBNSER-SECBINFHSA-N -1 1 348.388 2.165 20 0 EEADMM CC[C@@H](C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1c(C)noc1C ZINC001590371904 1349288738 /nfs/dbraw/zinc/28/87/38/1349288738.db2.gz LMSVDFRRMBNSER-SECBINFHSA-N -1 1 348.388 2.165 20 0 EEADMM CCc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1O ZINC001590881358 1349409004 /nfs/dbraw/zinc/40/90/04/1349409004.db2.gz XTKTXCYGKFIRNR-UHFFFAOYSA-N -1 1 325.328 2.093 20 0 EEADMM CCc1nc(NCc2noc3cc(F)ccc23)cc(-c2nnn[n-]2)n1 ZINC001590922564 1349412513 /nfs/dbraw/zinc/41/25/13/1349412513.db2.gz JCBUDEQEQZNPEJ-UHFFFAOYSA-N -1 1 340.322 2.112 20 0 EEADMM CCc1nc(NCc2noc3cc(F)ccc23)cc(-c2nn[n-]n2)n1 ZINC001590922564 1349412521 /nfs/dbraw/zinc/41/25/21/1349412521.db2.gz JCBUDEQEQZNPEJ-UHFFFAOYSA-N -1 1 340.322 2.112 20 0 EEADMM CN(C(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590993164 1349428650 /nfs/dbraw/zinc/42/86/50/1349428650.db2.gz OLHKSOUMEKMSEC-UHFFFAOYSA-N -1 1 330.298 2.476 20 0 EEADMM CN(C(=O)c1ccc(C(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590993164 1349428654 /nfs/dbraw/zinc/42/86/54/1349428654.db2.gz OLHKSOUMEKMSEC-UHFFFAOYSA-N -1 1 330.298 2.476 20 0 EEADMM COC(=O)C(C)(C)c1cccc(OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001591227530 1349450567 /nfs/dbraw/zinc/45/05/67/1349450567.db2.gz SAAWPDDEDVWYJA-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM COC(=O)C(C)(C)c1cccc(OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001591227530 1349450571 /nfs/dbraw/zinc/45/05/71/1349450571.db2.gz SAAWPDDEDVWYJA-UHFFFAOYSA-N -1 1 342.355 2.489 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nnn[n-]2)c(C)o1 ZINC001591288788 1349456515 /nfs/dbraw/zinc/45/65/15/1349456515.db2.gz HYUPVPZBNARTNP-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nn[n-]n2)c(C)o1 ZINC001591288788 1349456517 /nfs/dbraw/zinc/45/65/17/1349456517.db2.gz HYUPVPZBNARTNP-UHFFFAOYSA-N -1 1 332.291 2.273 20 0 EEADMM CO[C@H]1CCC[C@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591355230 1349469252 /nfs/dbraw/zinc/46/92/52/1349469252.db2.gz NGAGMZFPUCDYNT-BQBZGAKWSA-N -1 1 342.812 2.120 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)c2cc(C)c(F)c(C)c2)c1C ZINC001591908190 1349555075 /nfs/dbraw/zinc/55/50/75/1349555075.db2.gz STNICARNFQAGEH-UHFFFAOYSA-N -1 1 328.351 2.319 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC001592227401 1349612488 /nfs/dbraw/zinc/61/24/88/1349612488.db2.gz QDLQFJSAZMJZDC-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)c3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC001592227401 1349612489 /nfs/dbraw/zinc/61/24/89/1349612489.db2.gz QDLQFJSAZMJZDC-UHFFFAOYSA-N -1 1 346.394 2.500 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592264264 1349613784 /nfs/dbraw/zinc/61/37/84/1349613784.db2.gz QEBDQFJPSPRLRW-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592264264 1349613787 /nfs/dbraw/zinc/61/37/87/1349613787.db2.gz QEBDQFJPSPRLRW-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1[nH]nc(NCc2cccc(OC3CC3)c2F)c1-c1nnn[n-]1 ZINC001592330987 1349621620 /nfs/dbraw/zinc/62/16/20/1349621620.db2.gz QBXUJBILONGJOY-UHFFFAOYSA-N -1 1 329.339 2.191 20 0 EEADMM Cc1[nH]nc(NCc2cccc(OC3CC3)c2F)c1-c1nn[n-]n1 ZINC001592330987 1349621622 /nfs/dbraw/zinc/62/16/22/1349621622.db2.gz QBXUJBILONGJOY-UHFFFAOYSA-N -1 1 329.339 2.191 20 0 EEADMM Cc1nc([C@H]2CCCCN2Cc2csc(-c3nn[n-]n3)c2)no1 ZINC001592356870 1349625081 /nfs/dbraw/zinc/62/50/81/1349625081.db2.gz VCIKXLPJXMAURS-LLVKDONJSA-N -1 1 331.405 2.347 20 0 EEADMM Cc1nc(NCCc2ccccc2OC(F)F)cc(-c2nnn[n-]2)n1 ZINC001592391229 1349627024 /nfs/dbraw/zinc/62/70/24/1349627024.db2.gz IHPZYDJREDTTAD-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1nc(NCCc2ccccc2OC(F)F)cc(-c2nn[n-]n2)n1 ZINC001592391229 1349627025 /nfs/dbraw/zinc/62/70/25/1349627025.db2.gz IHPZYDJREDTTAD-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC001592496492 1349637174 /nfs/dbraw/zinc/63/71/74/1349637174.db2.gz FXAOBAFSMMWDRG-CYBMUJFWSA-N -1 1 327.319 2.494 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC001592496492 1349637175 /nfs/dbraw/zinc/63/71/75/1349637175.db2.gz FXAOBAFSMMWDRG-CYBMUJFWSA-N -1 1 327.319 2.494 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001592501484 1349638320 /nfs/dbraw/zinc/63/83/20/1349638320.db2.gz GHUGUDKVFOXUGM-ZETCQYMHSA-N -1 1 330.175 2.082 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001592502391 1349638282 /nfs/dbraw/zinc/63/82/82/1349638282.db2.gz DKQYRPXDHUZCCG-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001592502391 1349638284 /nfs/dbraw/zinc/63/82/84/1349638284.db2.gz DKQYRPXDHUZCCG-UHFFFAOYSA-N -1 1 327.348 2.108 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001592501484 1349638314 /nfs/dbraw/zinc/63/83/14/1349638314.db2.gz GHUGUDKVFOXUGM-ZETCQYMHSA-N -1 1 330.175 2.082 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1C[C@]1(C)Br ZINC001592504022 1349640087 /nfs/dbraw/zinc/64/00/87/1349640087.db2.gz QCEPHSVMWDXSIF-MADCSZMMSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1C[C@]1(C)Br ZINC001592504022 1349640089 /nfs/dbraw/zinc/64/00/89/1349640089.db2.gz QCEPHSVMWDXSIF-MADCSZMMSA-N -1 1 341.165 2.098 20 0 EEADMM Cc1ocnc1CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001592515008 1349644570 /nfs/dbraw/zinc/64/45/70/1349644570.db2.gz XWELJSRIQKBCCR-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1ocnc1CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001592515008 1349644571 /nfs/dbraw/zinc/64/45/71/1349644571.db2.gz XWELJSRIQKBCCR-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM FC(F)(F)COc1cccc(Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001592615017 1349671794 /nfs/dbraw/zinc/67/17/94/1349671794.db2.gz LBUWWYIAFLQEJN-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1cccc(Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001592615017 1349671799 /nfs/dbraw/zinc/67/17/99/1349671799.db2.gz LBUWWYIAFLQEJN-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592631098 1349682279 /nfs/dbraw/zinc/68/22/79/1349682279.db2.gz QNSXMIBNFVGROP-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592631098 1349682282 /nfs/dbraw/zinc/68/22/82/1349682282.db2.gz QNSXMIBNFVGROP-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM Fc1ccc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)nc1 ZINC001592648573 1349694043 /nfs/dbraw/zinc/69/40/43/1349694043.db2.gz RKVANHUTKFXMPV-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)nc1 ZINC001592648573 1349694049 /nfs/dbraw/zinc/69/40/49/1349694049.db2.gz RKVANHUTKFXMPV-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1cccc2c1CN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)CC2 ZINC001592660474 1349702259 /nfs/dbraw/zinc/70/22/59/1349702259.db2.gz BAIVKZJZWJVVEG-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM Fc1cccc2c1CN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)CC2 ZINC001592660474 1349702261 /nfs/dbraw/zinc/70/22/61/1349702261.db2.gz BAIVKZJZWJVVEG-UHFFFAOYSA-N -1 1 337.362 2.236 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001592954700 1349729176 /nfs/dbraw/zinc/72/91/76/1349729176.db2.gz GAIXPRDHLCQGKK-LLVKDONJSA-N -1 1 337.261 2.493 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001592954700 1349729177 /nfs/dbraw/zinc/72/91/77/1349729177.db2.gz GAIXPRDHLCQGKK-LLVKDONJSA-N -1 1 337.261 2.493 20 0 EEADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001592968317 1349730527 /nfs/dbraw/zinc/73/05/27/1349730527.db2.gz HPWFZQNTADRDAD-YPMHNXCESA-N -1 1 325.397 2.289 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ncsc1C1CC1 ZINC001593203580 1349745887 /nfs/dbraw/zinc/74/58/87/1349745887.db2.gz VDFNKFHCEMCCAF-UHFFFAOYSA-N -1 1 328.357 2.159 20 0 EEADMM O=C(Nc1ccnn1CC1CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593256752 1349752997 /nfs/dbraw/zinc/75/29/97/1349752997.db2.gz GSJNTYJCXWXZQT-UHFFFAOYSA-N -1 1 348.370 2.207 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(Cc2ccccc2)CC1 ZINC001593267715 1349755755 /nfs/dbraw/zinc/75/57/55/1349755755.db2.gz IOYHURCKVXDQII-UHFFFAOYSA-N -1 1 326.385 2.285 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(Cc2ccccc2)CC1 ZINC001593267715 1349755760 /nfs/dbraw/zinc/75/57/60/1349755760.db2.gz IOYHURCKVXDQII-UHFFFAOYSA-N -1 1 326.385 2.285 20 0 EEADMM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593313947 1349778188 /nfs/dbraw/zinc/77/81/88/1349778188.db2.gz IGGMRISMMYCBEM-KGLIPLIRSA-N -1 1 346.394 2.345 20 0 EEADMM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593313947 1349778193 /nfs/dbraw/zinc/77/81/93/1349778193.db2.gz IGGMRISMMYCBEM-KGLIPLIRSA-N -1 1 346.394 2.345 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCCC(F)(F)CC1 ZINC001593335600 1349782355 /nfs/dbraw/zinc/78/23/55/1349782355.db2.gz QIYNIFKLDOEOLQ-UHFFFAOYSA-N -1 1 342.737 2.177 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC001593366994 1349792217 /nfs/dbraw/zinc/79/22/17/1349792217.db2.gz FWNDGTOBISLFAN-SNVBAGLBSA-N -1 1 344.400 2.011 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H](Cc2nccs2)C1 ZINC001593366994 1349792221 /nfs/dbraw/zinc/79/22/21/1349792221.db2.gz FWNDGTOBISLFAN-SNVBAGLBSA-N -1 1 344.400 2.011 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593570804 1349855421 /nfs/dbraw/zinc/85/54/21/1349855421.db2.gz LHLSARWKKGYMEA-OCCSQVGLSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593570804 1349855427 /nfs/dbraw/zinc/85/54/27/1349855427.db2.gz LHLSARWKKGYMEA-OCCSQVGLSA-N -1 1 337.387 2.237 20 0 EEADMM c1csc(CC2CCN(c3cccnc3-c3nnn[n-]3)CC2)n1 ZINC001593582987 1349864131 /nfs/dbraw/zinc/86/41/31/1349864131.db2.gz JDAMMXFOVARHCO-UHFFFAOYSA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(CC2CCN(c3cccnc3-c3nn[n-]n3)CC2)n1 ZINC001593582987 1349864136 /nfs/dbraw/zinc/86/41/36/1349864136.db2.gz JDAMMXFOVARHCO-UHFFFAOYSA-N -1 1 327.417 2.177 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001600132174 1349976579 /nfs/dbraw/zinc/97/65/79/1349976579.db2.gz LBJLDMBRMRSPCP-UHFFFAOYSA-N -1 1 327.296 2.430 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC001600185216 1349987794 /nfs/dbraw/zinc/98/77/94/1349987794.db2.gz GVMFRONXQITDOW-UHFFFAOYSA-N -1 1 349.368 2.024 20 0 EEADMM Cc1cc(O)ccc1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600285806 1350010995 /nfs/dbraw/zinc/01/09/95/1350010995.db2.gz DSUWXVXRVWIVPS-UHFFFAOYSA-N -1 1 325.324 2.456 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@](CO)(C(C)C)C1 ZINC001600351496 1350026742 /nfs/dbraw/zinc/02/67/42/1350026742.db2.gz BOWKOKDAXAFDTC-LIRRHRJNSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)[nH]c2c1 ZINC001600489074 1350063999 /nfs/dbraw/zinc/06/39/99/1350063999.db2.gz IDGDADHQKVPQHW-VXGBXAGGSA-N -1 1 330.388 2.124 20 0 EEADMM Cc1cccc([C@H](NCCC(=O)NCCC(=O)[O-])c2ccccn2)c1 ZINC001600520417 1350071335 /nfs/dbraw/zinc/07/13/35/1350071335.db2.gz XAUMXGUXFPXHRY-IBGZPJMESA-N -1 1 341.411 2.050 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@@H](N)c2ccccc2)C(=O)[O-])c1 ZINC001600526643 1350073632 /nfs/dbraw/zinc/07/36/32/1350073632.db2.gz DFEQLAVQUSVGTJ-IRXDYDNUSA-N -1 1 326.396 2.055 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001600576877 1350087355 /nfs/dbraw/zinc/08/73/55/1350087355.db2.gz JDZUAOQGDHPCCH-OAHLLOKOSA-N -1 1 332.444 2.229 20 0 EEADMM Cc1n[nH]c(C)c1CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600668698 1350113704 /nfs/dbraw/zinc/11/37/04/1350113704.db2.gz SYMWUMOXOHTOMQ-UHFFFAOYSA-N -1 1 327.344 2.172 20 0 EEADMM Cc1nc[nH]c1-c1nnc(N2CCC[C@](C)(C(=O)[O-])C2)n1CC(C)C ZINC001600732248 1350124065 /nfs/dbraw/zinc/12/40/65/1350124065.db2.gz JZIMSNFDKNMVDQ-KRWDZBQOSA-N -1 1 346.435 2.324 20 0 EEADMM Cc1noc(C)c1CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001600809067 1350141333 /nfs/dbraw/zinc/14/13/33/1350141333.db2.gz HVZUKSDFDXDZLZ-JTQLQIEISA-N -1 1 331.372 2.497 20 0 EEADMM Cc1noc(C2CN(Cc3cc(C)c(OCC(=O)[O-])c(C)c3)C2)n1 ZINC001600812364 1350142475 /nfs/dbraw/zinc/14/24/75/1350142475.db2.gz CRWJKALHERJWFG-UHFFFAOYSA-N -1 1 331.372 2.058 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H](O)c2ccccn2)nc1C(=O)[O-] ZINC001600884073 1350159618 /nfs/dbraw/zinc/15/96/18/1350159618.db2.gz YPBVKTHIYSEZDU-OLZOCXBDSA-N -1 1 333.413 2.415 20 0 EEADMM N[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001601172223 1350224550 /nfs/dbraw/zinc/22/45/50/1350224550.db2.gz PZSXOLCJBBJXBA-RISCZKNCSA-N -1 1 344.333 2.322 20 0 EEADMM N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001601202434 1350230043 /nfs/dbraw/zinc/23/00/43/1350230043.db2.gz WUDUZELIILPGPV-ZDUSSCGKSA-N -1 1 333.413 2.059 20 0 EEADMM 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CC[C@H]1[C@H](C)CCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001650283347 1353819892 /nfs/dbraw/zinc/81/98/92/1353819892.db2.gz AMBRCRPDDPPXJZ-MFKMUULPSA-N -1 1 328.420 2.480 20 0 EEADMM O=C1COc2cccc([N-]S(=O)(=O)Cc3ccc(F)cc3)c2N1 ZINC000074787457 1354367392 /nfs/dbraw/zinc/36/73/92/1354367392.db2.gz VOLMCMCDXVVRIM-UHFFFAOYSA-N -1 1 336.344 2.099 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)c2ccccc2)sn1 ZINC001661366704 1354631290 /nfs/dbraw/zinc/63/12/90/1354631290.db2.gz QDKZMKLEAHTDIL-OAHLLOKOSA-N -1 1 348.453 2.253 20 0 EEADMM O=S(=O)([N-]Cc1noc(-c2ccco2)n1)c1cccc(F)c1F ZINC001665495055 1355318223 /nfs/dbraw/zinc/31/82/23/1355318223.db2.gz KOGDVNDXQMXMCD-UHFFFAOYSA-N -1 1 341.295 2.086 20 0 EEADMM C[C@@H](CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)Cn1cccn1 ZINC001673488914 1356696394 /nfs/dbraw/zinc/69/63/94/1356696394.db2.gz MMOUCYZATLNGKW-ZDUSSCGKSA-N -1 1 340.387 2.232 20 0 EEADMM O=C(NCc1ccc[nH]c1=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001679610450 1357729307 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CCOC(=O)c1cccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)n1 ZINC001188280779 1368293806 /nfs/dbraw/zinc/29/38/06/1368293806.db2.gz LXFXNIMGIDMMAS-UHFFFAOYSA-N -1 1 328.250 2.253 20 0 EEADMM CCOC(=O)c1cccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)n1 ZINC001188280779 1368293815 /nfs/dbraw/zinc/29/38/15/1368293815.db2.gz LXFXNIMGIDMMAS-UHFFFAOYSA-N -1 1 328.250 2.253 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189468653 1368357779 /nfs/dbraw/zinc/35/77/79/1368357779.db2.gz NMLMFOQZPUQMLI-ZDUSSCGKSA-N -1 1 349.399 2.362 20 0 EEADMM C[C@H](CNC(=O)c1ccsc1Cl)NC(=O)c1ncccc1[O-] ZINC001389170331 1387950402 /nfs/dbraw/zinc/95/04/02/1387950402.db2.gz KJVHVJZTIZCKMK-MRVPVSSYSA-N -1 1 339.804 2.050 20 0 EEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccncc1C(F)(F)F ZINC001198730660 1368642039 /nfs/dbraw/zinc/64/20/39/1368642039.db2.gz VIZPNTMLVQTSNK-UHFFFAOYSA-N -1 1 346.286 2.021 20 0 EEADMM O=C(COC(=O)c1cccc(OC(F)F)c1)[N-]C(=O)c1ccccc1 ZINC000006485859 1369151911 /nfs/dbraw/zinc/15/19/11/1369151911.db2.gz 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HQUPUMNBSUDPDT-DDHJBXDOSA-N -1 1 336.354 2.002 20 0 EEADMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000848494739 1373154659 /nfs/dbraw/zinc/15/46/59/1373154659.db2.gz ZTUAEACKIRHMMX-VIFPVBQESA-N -1 1 345.218 2.347 20 0 EEADMM O=C([N-]c1nnc2ccc(Cl)nn21)c1cc(-c2ccccn2)no1 ZINC001357272459 1373213605 /nfs/dbraw/zinc/21/36/05/1373213605.db2.gz GTVMBHCRNVHTEX-UHFFFAOYSA-N -1 1 341.718 2.080 20 0 EEADMM COC(=O)[C@@H](NC(=O)c1cccc([O-])c1F)c1cc(F)ccc1F ZINC001362114562 1373367168 /nfs/dbraw/zinc/36/71/68/1373367168.db2.gz VIFAMAKUMCYDDW-AWEZNQCLSA-N -1 1 339.269 2.454 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C1(C)CCC1 ZINC001371227374 1375308440 /nfs/dbraw/zinc/30/84/40/1375308440.db2.gz CWBXUMVUIPDNOC-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM CCN(C(=O)CCC(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001390068229 1388427838 /nfs/dbraw/zinc/42/78/38/1388427838.db2.gz GBDHTTXMSXJQGK-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CC(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001374472525 1376849300 /nfs/dbraw/zinc/84/93/00/1376849300.db2.gz KAAGSHHXRSUMCU-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM O=C(N[C@@H](CNC(=O)c1ncccc1[O-])C1CCCC1)C1=CCCC1 ZINC001390182216 1388494415 /nfs/dbraw/zinc/49/44/15/1388494415.db2.gz WMXPSOBBXNILBU-HNNXBMFYSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])CC(C)C)o1 ZINC001375803473 1378018776 /nfs/dbraw/zinc/01/87/76/1378018776.db2.gz MOPZWIGZFYASEH-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM Cc1ccoc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001375809176 1378020301 /nfs/dbraw/zinc/02/03/01/1378020301.db2.gz PYGSMGOVIVPIFI-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001376425950 1378543772 /nfs/dbraw/zinc/54/37/72/1378543772.db2.gz DVPSOUJHRMZWTR-AGUYFDCRSA-N -1 1 347.463 2.092 20 0 EEADMM CCCCC(=O)NCc1ccc([C@@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001376579277 1378607685 /nfs/dbraw/zinc/60/76/85/1378607685.db2.gz PQUXZWFVFMYYKM-GFCCVEGCSA-N -1 1 331.420 2.168 20 0 EEADMM C[C@H](CNC(=O)CCCc1cccs1)NC(=O)c1ncccc1[O-] ZINC001376880481 1378827657 /nfs/dbraw/zinc/82/76/57/1378827657.db2.gz GTFPXIRZQSFIHY-GFCCVEGCSA-N -1 1 347.440 2.106 20 0 EEADMM CCCC[C@@H](CNC(=O)CC1CCC1)NC(=O)c1ncccc1[O-] ZINC001381076440 1381501484 /nfs/dbraw/zinc/50/14/84/1381501484.db2.gz FXJNMIYHAYPRBA-AWEZNQCLSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](CNC/C(Cl)=C\Cl)C(C)(C)C)c1[O-] ZINC001382515038 1382110682 /nfs/dbraw/zinc/11/06/82/1382110682.db2.gz LWYIAKZCUWCKHS-CYNRKNSPSA-N -1 1 349.262 2.477 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)CCC(C)(F)F)NC(=O)c1ncccc1[O-] ZINC001383568541 1382561726 /nfs/dbraw/zinc/56/17/26/1382561726.db2.gz ZLDRFHAMVWJQHT-WDEREUQCSA-N -1 1 343.374 2.236 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCc1ccoc1 ZINC001383589353 1382580935 /nfs/dbraw/zinc/58/09/35/1382580935.db2.gz XXMKNTSQEPYNSL-CHWSQXEVSA-N -1 1 345.399 2.026 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCCC1CC1 ZINC001384715412 1385250002 /nfs/dbraw/zinc/25/00/02/1385250002.db2.gz JELBIDQIUSDZEL-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CCCC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001384877971 1385297142 /nfs/dbraw/zinc/29/71/42/1385297142.db2.gz BZRZTCKQGMGGNA-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)CCC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001385645364 1385738934 /nfs/dbraw/zinc/73/89/34/1385738934.db2.gz NVSSLVHLJFCDNF-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386239733 1386028708 /nfs/dbraw/zinc/02/87/08/1386028708.db2.gz NISOMUWNSOLTMT-OLZOCXBDSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386453933 1386144677 /nfs/dbraw/zinc/14/46/77/1386144677.db2.gz MEPLUTNDMZKECV-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@@H](CC)C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001386888971 1386375027 /nfs/dbraw/zinc/37/50/27/1386375027.db2.gz OLBOZERKUWPNDG-GFCCVEGCSA-N -1 1 348.447 2.074 20 0 EEADMM CCCN(CCNC(=O)[C@@H](C)c1ccco1)C(=O)c1ncccc1[O-] ZINC001387457840 1386749626 /nfs/dbraw/zinc/74/96/26/1386749626.db2.gz ZKYLFVWZOVKXKN-ZDUSSCGKSA-N -1 1 345.399 2.152 20 0 EEADMM CCCC[C@](C)(F)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001393309306 1390401783 /nfs/dbraw/zinc/40/17/83/1390401783.db2.gz SOOWWTBXHFVKGF-SJCJKPOMSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@@H](CNC(=O)C1CCCCCC1)N(C)C(=O)c1ncccc1[O-] ZINC001395058376 1390779720 /nfs/dbraw/zinc/77/97/20/1390779720.db2.gz IJWRQAFKESGHKW-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396765952 1390966796 /nfs/dbraw/zinc/96/67/96/1390966796.db2.gz XRXCXRHOMCWTQI-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CN(C(=O)CCCC1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001397719481 1391451865 /nfs/dbraw/zinc/45/18/65/1391451865.db2.gz KZOFBLLJSZQLIW-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(F)ccc1C ZINC001398088156 1391684039 /nfs/dbraw/zinc/68/40/39/1391684039.db2.gz NSRQYNAWRNSTGE-UHFFFAOYSA-N -1 1 345.374 2.127 20 0 EEADMM O=C(CCCC1CC1)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001398358599 1392269953 /nfs/dbraw/zinc/26/99/53/1392269953.db2.gz JEUSYTFCBRVICJ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001399352502 1394999211 /nfs/dbraw/zinc/99/92/11/1394999211.db2.gz NTMFXCZKXXBOFB-ZDUSSCGKSA-N -1 1 335.448 2.342 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCCC1(C)C ZINC001399361612 1395007225 /nfs/dbraw/zinc/00/72/25/1395007225.db2.gz ZDUVCAJFHCRTGP-STQMWFEESA-N -1 1 333.432 2.096 20 0 EEADMM CC[C@H](C)CC(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001424674365 1401210894 /nfs/dbraw/zinc/21/08/94/1401210894.db2.gz YCZSZUUUVSSZEX-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CSc1nc(CNC(=O)Nc2c(C)noc2C2CC2)cc(=O)[n-]1 ZINC001425517854 1401592743 /nfs/dbraw/zinc/59/27/43/1401592743.db2.gz LIWULFSAWHGIJP-UHFFFAOYSA-N -1 1 335.389 2.400 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001426216420 1401963464 /nfs/dbraw/zinc/96/34/64/1401963464.db2.gz ILEHMLVXUOTXNU-MNOVXSKESA-N -1 1 333.413 2.176 20 0 EEADMM CC[C@H](CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)C ZINC001427890261 1402551900 /nfs/dbraw/zinc/55/19/00/1402551900.db2.gz CWBNNIOHRQMVMB-UKRRQHHQSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC001428952249 1402852309 /nfs/dbraw/zinc/85/23/09/1402852309.db2.gz YZDKWFGEICIPMX-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCCCC1(C)C ZINC001429223811 1402934224 /nfs/dbraw/zinc/93/42/24/1402934224.db2.gz GPMFFEBFNMECPJ-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)C1(C(=O)NC[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001432644275 1403261259 /nfs/dbraw/zinc/26/12/59/1403261259.db2.gz PPPLRVXZHNZEQW-SFHVURJKSA-N -1 1 345.443 2.192 20 0 EEADMM CO[C@@H](C)CCC(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001433887753 1403442784 /nfs/dbraw/zinc/44/27/84/1403442784.db2.gz IHYJSRREOWNILV-SDBXPKJASA-N -1 1 341.774 2.013 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001434128597 1403457276 /nfs/dbraw/zinc/45/72/76/1403457276.db2.gz IQDAAZNENAZZAH-QWHCGFSZSA-N -1 1 347.415 2.353 20 0 EEADMM CC1(C)CCc2sc(NC(=O)N3CCC(c4nn[n-]n4)CC3)nc21 ZINC001434733162 1403484935 /nfs/dbraw/zinc/48/49/35/1403484935.db2.gz CZZZCWMSKVFGQQ-UHFFFAOYSA-N -1 1 347.448 2.292 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2cc(F)c(F)cc2O1 ZINC001576315674 1403565093 /nfs/dbraw/zinc/56/50/93/1403565093.db2.gz XKQMQJAWYZVCAC-SSDOTTSWSA-N -1 1 347.281 2.166 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001576571127 1403584910 /nfs/dbraw/zinc/58/49/10/1403584910.db2.gz DWKKRONLNROFQZ-MWLCHTKSSA-N -1 1 349.464 2.081 20 0 EEADMM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001576611058 1403591002 /nfs/dbraw/zinc/59/10/02/1403591002.db2.gz MPYIDSLRTHUZIM-PSASIEDQSA-N -1 1 341.412 2.027 20 0 EEADMM CCCCC(=O)NC[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577418007 1403649206 /nfs/dbraw/zinc/64/92/06/1403649206.db2.gz ZEKVHCFOOFXOOV-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCOCc1nc(Cl)cc(Oc2cccnc2-c2nnn[n-]2)n1 ZINC001578378761 1403742583 /nfs/dbraw/zinc/74/25/83/1403742583.db2.gz OHLHGGAKRXKBEJ-UHFFFAOYSA-N -1 1 333.739 2.034 20 0 EEADMM CCOCc1nc(Cl)cc(Oc2cccnc2-c2nn[n-]n2)n1 ZINC001578378761 1403742593 /nfs/dbraw/zinc/74/25/93/1403742593.db2.gz OHLHGGAKRXKBEJ-UHFFFAOYSA-N -1 1 333.739 2.034 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)s1 ZINC001579483685 1403785215 /nfs/dbraw/zinc/78/52/15/1403785215.db2.gz KQIGSYIUVRARQK-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM CSc1ccccc1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001580236299 1403851317 /nfs/dbraw/zinc/85/13/17/1403851317.db2.gz BCQCCGMXTDSMFD-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1ccccc1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001580236299 1403851322 /nfs/dbraw/zinc/85/13/22/1403851322.db2.gz BCQCCGMXTDSMFD-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM Cc1ccc(Cl)cc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001581202303 1403877901 /nfs/dbraw/zinc/87/79/01/1403877901.db2.gz QCDYRPYAVRSQMU-UHFFFAOYSA-N -1 1 344.762 2.490 20 0 EEADMM C[S@@](=O)C1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCC1 ZINC001591682566 1403937864 /nfs/dbraw/zinc/93/78/64/1403937864.db2.gz JQXNCLSSXXQPMT-XMMPIXPASA-N -1 1 342.428 2.128 20 0 EEADMM C[S@@](=O)C1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCC1 ZINC001591682566 1403937870 /nfs/dbraw/zinc/93/78/70/1403937870.db2.gz JQXNCLSSXXQPMT-XMMPIXPASA-N -1 1 342.428 2.128 20 0 EEADMM Cc1cccc2c1[C@@H](OC(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001592243484 1404012940 /nfs/dbraw/zinc/01/29/40/1404012940.db2.gz ZNNZNRJGMOQTQR-NSHDSACASA-N -1 1 326.312 2.449 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592243926 1404014568 /nfs/dbraw/zinc/01/45/68/1404014568.db2.gz HYMNMVCQJAKQKX-CYBMUJFWSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592243926 1404014581 /nfs/dbraw/zinc/01/45/81/1404014581.db2.gz HYMNMVCQJAKQKX-CYBMUJFWSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1nsc(NC(=O)N2CC(F)(F)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001592480239 1404700263 /nfs/dbraw/zinc/70/02/63/1404700263.db2.gz VGQDEMITSBWUEV-LURJTMIESA-N -1 1 343.363 2.283 20 0 EEADMM Cc1nsc(NC(=O)N2CC(F)(F)CC[C@@H]2C)c1-c1nnn[n-]1 ZINC001592480239 1404700258 /nfs/dbraw/zinc/70/02/58/1404700258.db2.gz VGQDEMITSBWUEV-LURJTMIESA-N -1 1 343.363 2.283 20 0 EEADMM Cc1nsc(NC(=O)NC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC001592481779 1404700698 /nfs/dbraw/zinc/70/06/98/1404700698.db2.gz VVLNGZUVXDZJKS-VMPITWQZSA-N -1 1 341.400 2.467 20 0 EEADMM Cc1nsc(NC(=O)NC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC001592481779 1404700705 /nfs/dbraw/zinc/70/07/05/1404700705.db2.gz VVLNGZUVXDZJKS-VMPITWQZSA-N -1 1 341.400 2.467 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001592499860 1404703831 /nfs/dbraw/zinc/70/38/31/1404703831.db2.gz FJWDCNODRPIADG-UHFFFAOYSA-N -1 1 344.262 2.006 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc2oc(=O)[nH]c2cc1F ZINC001592499860 1404703836 /nfs/dbraw/zinc/70/38/36/1404703836.db2.gz FJWDCNODRPIADG-UHFFFAOYSA-N -1 1 344.262 2.006 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001592500709 1404704953 /nfs/dbraw/zinc/70/49/53/1404704953.db2.gz YZBIWWNYQLNPTB-STQMWFEESA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001592500709 1404704956 /nfs/dbraw/zinc/70/49/56/1404704956.db2.gz YZBIWWNYQLNPTB-STQMWFEESA-N -1 1 345.403 2.047 20 0 EEADMM Fc1ccccc1OCc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592661961 1404706608 /nfs/dbraw/zinc/70/66/08/1404706608.db2.gz VOUVPFZLCSEVQT-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1ccccc1OCc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592661961 1404706618 /nfs/dbraw/zinc/70/66/18/1404706618.db2.gz VOUVPFZLCSEVQT-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(C(F)F)cc1 ZINC001592915071 1404728618 /nfs/dbraw/zinc/72/86/18/1404728618.db2.gz DQFKJBOBUSLHCI-UHFFFAOYSA-N -1 1 330.298 2.381 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(C(F)F)cc1 ZINC001592915071 1404728622 /nfs/dbraw/zinc/72/86/22/1404728622.db2.gz DQFKJBOBUSLHCI-UHFFFAOYSA-N -1 1 330.298 2.381 20 0 EEADMM O=C(NC[C@@H]1CC=CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593028012 1404734333 /nfs/dbraw/zinc/73/43/33/1404734333.db2.gz BTUSINRBUJOVFN-SSDOTTSWSA-N -1 1 339.812 2.454 20 0 EEADMM CCc1[nH]c(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1C(=O)[O-] ZINC001605771678 1404753398 /nfs/dbraw/zinc/75/33/98/1404753398.db2.gz HNMUOAOXUXETQG-CYBMUJFWSA-N -1 1 336.432 2.293 20 0 EEADMM CN(C)Cc1cc(CNC(=O)Nc2cncc(C(=O)[O-])c2)ccc1F ZINC001606033833 1404757798 /nfs/dbraw/zinc/75/77/98/1404757798.db2.gz WZDXIBVQBFJWDE-UHFFFAOYSA-N -1 1 346.362 2.302 20 0 EEADMM Clc1ccc2c(CCNc3ncncc3-c3nn[n-]n3)c[nH]c2c1 ZINC001606192825 1404776947 /nfs/dbraw/zinc/77/69/47/1404776947.db2.gz GVVHOKHBUJSJNX-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cccc(-c3nnn[n-]3)n2)nc1 ZINC001606294153 1404779691 /nfs/dbraw/zinc/77/96/91/1404779691.db2.gz GGAQCFOYZTZJHC-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001606294153 1404779702 /nfs/dbraw/zinc/77/97/02/1404779702.db2.gz GGAQCFOYZTZJHC-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001756334464 1408340904 /nfs/dbraw/zinc/34/09/04/1408340904.db2.gz MWQHPIAZHMTDAG-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1csc(C)n1 ZINC001771607685 1409878495 /nfs/dbraw/zinc/87/84/95/1409878495.db2.gz JXVAODYFMKRKIS-UHFFFAOYSA-N -1 1 334.369 2.217 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc(Cl)c2F)c1Cl ZINC001771609658 1409879746 /nfs/dbraw/zinc/87/97/46/1409879746.db2.gz RQBMKCMWTUNVRM-UHFFFAOYSA-N -1 1 338.191 2.345 20 0 EEADMM CCS(=O)(=O)c1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC001771638979 1409898038 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EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)[C@@H](F)C(C)C)[n-]1 ZINC000846642084 790303024 /nfs/dbraw/zinc/30/30/24/790303024.db2.gz BCFACCHKCDAJSD-MNOVXSKESA-N -1 1 328.388 2.179 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)[C@@H](F)C(C)C)n1 ZINC000846642084 790303027 /nfs/dbraw/zinc/30/30/27/790303027.db2.gz BCFACCHKCDAJSD-MNOVXSKESA-N -1 1 328.388 2.179 20 0 EEADMM CN1CCN(c2ccc(Nc3ccccc3C(=O)[O-])cc2CO)CC1 ZINC001210967716 758218252 /nfs/dbraw/zinc/21/82/52/758218252.db2.gz UCZQBURAVGEOBM-UHFFFAOYSA-N -1 1 341.411 2.373 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@@H](C)C(=O)[O-])c1ccccc1Cl ZINC000780372909 759844081 /nfs/dbraw/zinc/84/40/81/759844081.db2.gz HMOZWNWYCKEJJI-SMDDNHRTSA-N -1 1 341.839 2.495 20 0 EEADMM [O-]c1ccc(CN2CCN(c3nccnc3Cl)CC2)c(F)c1F ZINC001140889887 764559375 /nfs/dbraw/zinc/55/93/75/764559375.db2.gz OWRNKKGOYHYYGH-UHFFFAOYSA-N -1 1 340.761 2.436 20 0 EEADMM C/C=C(\C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715537 769083321 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CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1(CC)CC ZINC000175106313 773461512 /nfs/dbraw/zinc/46/15/12/773461512.db2.gz FYZVLHAVCCJSOA-WDEREUQCSA-N -1 1 349.884 2.336 20 0 EEADMM CC1(C)CC[C@@H](CNC(=O)c2ncccc2[O-])N(Cc2ccon2)C1 ZINC001089633085 773602707 /nfs/dbraw/zinc/60/27/07/773602707.db2.gz DGGIBXZOLUONEB-AWEZNQCLSA-N -1 1 344.415 2.196 20 0 EEADMM CCc1cc(C)nc(N(CC)[C@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001089636787 773626678 /nfs/dbraw/zinc/62/66/78/773626678.db2.gz BXJZQOWXPXEKEB-CYBMUJFWSA-N -1 1 343.431 2.093 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000938573545 774157928 /nfs/dbraw/zinc/15/79/28/774157928.db2.gz HYRBVSBNHNAWLE-CYBMUJFWSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccccc1Cl ZINC000938721788 774488738 /nfs/dbraw/zinc/48/87/38/774488738.db2.gz HRNZLAQLAQJADR-NSHDSACASA-N -1 1 345.786 2.085 20 0 EEADMM CCN(C(=O)[C@H]1CC12CCC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942792825 783214348 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/nfs/dbraw/zinc/84/76/66/787847666.db2.gz WPFNSNQTCUJMIB-MRVPVSSYSA-N -1 1 331.763 2.339 20 0 EEADMM C[C@@H](CO)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000824440576 788171868 /nfs/dbraw/zinc/17/18/68/788171868.db2.gz GEOYTZMYOFFSCJ-LLVKDONJSA-N -1 1 326.360 2.094 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000828075907 788273098 /nfs/dbraw/zinc/27/30/98/788273098.db2.gz NRSPDGCKZCXYLN-BDAKNGLRSA-N -1 1 341.260 2.464 20 0 EEADMM CCc1sc(C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1C ZINC000912859856 788416186 /nfs/dbraw/zinc/41/61/86/788416186.db2.gz GPVMPMXILLOUCF-VIFPVBQESA-N -1 1 325.463 2.356 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1nn[n-]n1 ZINC000912861706 788422836 /nfs/dbraw/zinc/42/28/36/788422836.db2.gz VKUKFIIPQWZADZ-KWQFWETISA-N -1 1 341.387 2.192 20 0 EEADMM CCC[C@@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccn1 ZINC000913438313 788874036 /nfs/dbraw/zinc/87/40/36/788874036.db2.gz QPEQOIPWNVYEQX-GDBMZVCRSA-N -1 1 336.399 2.384 20 0 EEADMM CCOCCC1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCCC1 ZINC000913438859 788877346 /nfs/dbraw/zinc/87/73/46/788877346.db2.gz XQGUTFCEQOIBJA-OAHLLOKOSA-N -1 1 343.431 2.392 20 0 EEADMM Cc1cccc(-c2cccc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)c2)c1 ZINC000913493475 788928429 /nfs/dbraw/zinc/92/84/29/788928429.db2.gz XPJVPJODLWMVNY-QGZVFWFLSA-N -1 1 349.394 2.389 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005955497 789003208 /nfs/dbraw/zinc/00/32/08/789003208.db2.gz GIIPPKVNPJJSCG-GZBFAFLISA-N -1 1 345.443 2.046 20 0 EEADMM C[C@@H](C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001005959652 789046974 /nfs/dbraw/zinc/04/69/74/789046974.db2.gz SEEJUNPPQGFZIM-RYUDHWBXSA-N -1 1 333.432 2.046 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)[C@H]2C[C@H]21 ZINC000923193166 789107054 /nfs/dbraw/zinc/10/70/54/789107054.db2.gz DAICRSUZEFOSNR-TWMKSMIVSA-N -1 1 337.379 2.086 20 0 EEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000844662087 789296580 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O=C(c1ncccc1[O-])N1CC[C@@H](CNc2ccnc(C3CC3)n2)C1 ZINC001060856178 790112840 /nfs/dbraw/zinc/11/28/40/790112840.db2.gz DXTYZPBSOUSLOG-LBPRGKRZSA-N -1 1 339.399 2.029 20 0 EEADMM CCc1cc(C)nc(NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821499 806043882 /nfs/dbraw/zinc/04/38/82/806043882.db2.gz IGKMPOSPCWPODX-AWEZNQCLSA-N -1 1 341.415 2.069 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1CNC(=O)C1CCCC1)c1ncccc1[O-] ZINC000946379132 791458516 /nfs/dbraw/zinc/45/85/16/791458516.db2.gz HAVQCVJNVMCEDT-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CCNc1cc(F)ncn1 ZINC001063833339 791804283 /nfs/dbraw/zinc/80/42/83/791804283.db2.gz WKGMCAKZCFESQM-GFCCVEGCSA-N -1 1 345.378 2.213 20 0 EEADMM C[C@H](Nc1cc(F)ncn1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881801 791878174 /nfs/dbraw/zinc/87/81/74/791878174.db2.gz ZFHYYVFNJSKYIE-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2cn3c(cccc3Cl)n2)c1[O-] ZINC001147836029 791994740 /nfs/dbraw/zinc/99/47/40/791994740.db2.gz IDCBKHZOFJOARW-UHFFFAOYSA-N -1 1 332.747 2.141 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCCOC(F)(F)F)cc2)[n-]1 ZINC001148337247 792346253 /nfs/dbraw/zinc/34/62/53/792346253.db2.gz XIHMTKCGMBCACF-UHFFFAOYSA-N -1 1 329.278 2.065 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccc(F)cc1Cl)C(F)(F)F ZINC000867025113 792546596 /nfs/dbraw/zinc/54/65/96/792546596.db2.gz LVIWMNDVDRTHHR-SNVBAGLBSA-N -1 1 349.733 2.212 20 0 EEADMM C[C@]1(CO)CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])C[C@@H]1O ZINC001148867577 792754121 /nfs/dbraw/zinc/75/41/21/792754121.db2.gz YZWQNWBXKCFYSV-FXAWDEMLSA-N -1 1 341.407 2.265 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@]2(CCN(c3cccc(F)n3)C2)C1 ZINC001064616831 793441768 /nfs/dbraw/zinc/44/17/68/793441768.db2.gz CPDNTZJSMVGODT-SFHVURJKSA-N -1 1 342.374 2.064 20 0 EEADMM CCN(CC)c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742126 794200370 /nfs/dbraw/zinc/20/03/70/794200370.db2.gz ILUANKIKVOGCDW-UHFFFAOYSA-N -1 1 328.420 2.066 20 0 EEADMM CC(C)COc1cccc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913742163 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C[C@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535998 795586474 /nfs/dbraw/zinc/58/64/74/795586474.db2.gz PSJKHERTYQLZIV-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@]1(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)CC=CCC1 ZINC000946535780 795588463 /nfs/dbraw/zinc/58/84/63/795588463.db2.gz LGWCQJYPMFATPP-LJQANCHMSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC1(C)OCCO1 ZINC000716031184 795591833 /nfs/dbraw/zinc/59/18/33/795591833.db2.gz QVCTXJVRBOIDDQ-SNVBAGLBSA-N -1 1 335.372 2.032 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)[C@H]2C)c1[O-] ZINC000993229961 796143556 /nfs/dbraw/zinc/14/35/56/796143556.db2.gz WGIVGYQAEMUPIR-SWLSCSKDSA-N -1 1 346.406 2.346 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1Cc1nccs1 ZINC000993248425 796168867 /nfs/dbraw/zinc/16/88/67/796168867.db2.gz MHPWZNXHZSAPNN-RYUDHWBXSA-N -1 1 332.429 2.027 20 0 EEADMM COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc([O-])cc2O)c1 ZINC000064234219 796785581 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O=C(N[C@@H]1CCC[C@H](Nc2ncc(Cl)cn2)C1)c1ncccc1[O-] ZINC001061074016 797932126 /nfs/dbraw/zinc/93/21/26/797932126.db2.gz BABYRELXOOAYST-NEPJUHHUSA-N -1 1 347.806 2.384 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cccc3c2CCC3=O)no1 ZINC001212768209 798015843 /nfs/dbraw/zinc/01/58/43/798015843.db2.gz SYGVDCAWUUXSNY-UHFFFAOYSA-N -1 1 338.323 2.432 20 0 EEADMM COCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)cc1F ZINC001176191128 798369383 /nfs/dbraw/zinc/36/93/83/798369383.db2.gz QRQZAHQFGVEJAX-UHFFFAOYSA-N -1 1 344.339 2.331 20 0 EEADMM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000821004044 798600573 /nfs/dbraw/zinc/60/05/73/798600573.db2.gz MMDBHXGXNOFOEG-BXKDBHETSA-N -1 1 333.413 2.363 20 0 EEADMM CN(C)c1nc(Nc2ccc3c(c2)CCC(=O)N3C)c(N=O)c(=O)[n-]1 ZINC001213129077 798813807 /nfs/dbraw/zinc/81/38/07/798813807.db2.gz SUCUPUOKEDBOMK-UHFFFAOYSA-N -1 1 342.359 2.299 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](C)n2ccnc2)CC1 ZINC000068452107 799702087 /nfs/dbraw/zinc/70/20/87/799702087.db2.gz 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ZINC001066308093 801194650 /nfs/dbraw/zinc/19/46/50/801194650.db2.gz QCZXWGWJAGJMJT-AWEZNQCLSA-N -1 1 341.415 2.158 20 0 EEADMM Cc1nsc(NCCCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001090079700 801238683 /nfs/dbraw/zinc/23/86/83/801238683.db2.gz KURJJRBHRDRXCX-JTQLQIEISA-N -1 1 335.433 2.348 20 0 EEADMM C[C@](CO)([N-]C(=O)C(F)(F)OCC(F)(F)F)c1ccccc1 ZINC001183197464 801509036 /nfs/dbraw/zinc/50/90/36/801509036.db2.gz KICXQYVRTFDELJ-LLVKDONJSA-N -1 1 327.249 2.182 20 0 EEADMM COC(=O)c1cc([O-])c(F)cc1NC(=O)C(=O)c1ccc(OC)cc1 ZINC001183364594 801568654 /nfs/dbraw/zinc/56/86/54/801568654.db2.gz ODDRVBBZCQOSIJ-UHFFFAOYSA-N -1 1 347.298 2.148 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC001183383874 801596368 /nfs/dbraw/zinc/59/63/68/801596368.db2.gz NFJGMWBUNWDUDT-ZJUUUORDSA-N -1 1 326.278 2.058 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001183485849 801608434 /nfs/dbraw/zinc/60/84/34/801608434.db2.gz LFMNFBXCKYGLPY-JGVFFNPUSA-N -1 1 331.282 2.079 20 0 EEADMM Cc1cc(C)c(NC(=O)C23CCCN2CCC3)c(S(=O)(=O)[O-])c1 ZINC001183557862 801643932 /nfs/dbraw/zinc/64/39/32/801643932.db2.gz XVBXCWOKGVDHIZ-UHFFFAOYSA-N -1 1 338.429 2.117 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)CCCCOc1ccccc1 ZINC001184360575 801981147 /nfs/dbraw/zinc/98/11/47/801981147.db2.gz FAYHMKMVVHVDFU-UHFFFAOYSA-N -1 1 332.316 2.474 20 0 EEADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004763058 802827282 /nfs/dbraw/zinc/82/72/82/802827282.db2.gz YTYYFSKEZYHIIN-GXTWGEPZSA-N -1 1 345.443 2.190 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]CC1(Cc2ccccc2)CC1 ZINC000866992446 803717827 /nfs/dbraw/zinc/71/78/27/803717827.db2.gz RCIOIHLGZMBOOE-UHFFFAOYSA-N -1 1 342.486 2.106 20 0 EEADMM CCn1cc(-c2nn(C)cc2C(=O)Nc2nc(Cl)ccc2[O-])cn1 ZINC000788158451 807413690 /nfs/dbraw/zinc/41/36/90/807413690.db2.gz KIDMASRLNYSHMO-UHFFFAOYSA-N -1 1 346.778 2.310 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)COc3ccc(F)c(Cl)c3)ccnc1-2 ZINC000791161469 809086681 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CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1 ZINC000438785140 535376261 /nfs/dbraw/zinc/37/62/61/535376261.db2.gz MFRCOTWORYTMNY-UHFFFAOYSA-N -1 1 346.408 2.425 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000738168558 578002337 /nfs/dbraw/zinc/00/23/37/578002337.db2.gz JZTHAVNFJAEBLZ-UHFFFAOYSA-N -1 1 325.328 2.163 20 0 EEADMM Cc1cc(OCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccc1C(C)C ZINC000738474269 578016512 /nfs/dbraw/zinc/01/65/12/578016512.db2.gz ZPSAJBLJVDQBCF-INIZCTEOSA-N -1 1 345.399 2.032 20 0 EEADMM OC[C@H](Cc1ccccc1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000738389764 578012424 /nfs/dbraw/zinc/01/24/24/578012424.db2.gz MOXACSPCAIMIJY-AWEZNQCLSA-N -1 1 346.394 2.430 20 0 EEADMM OC[C@H](Cc1ccccc1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000738389764 578012425 /nfs/dbraw/zinc/01/24/25/578012425.db2.gz MOXACSPCAIMIJY-AWEZNQCLSA-N -1 1 346.394 2.430 20 0 EEADMM c1ccc([C@@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC000738426650 578014446 /nfs/dbraw/zinc/01/44/46/578014446.db2.gz FVEQUAZYXMROON-CQSZACIVSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC000738426650 578014447 /nfs/dbraw/zinc/01/44/47/578014447.db2.gz FVEQUAZYXMROON-CQSZACIVSA-N -1 1 330.355 2.253 20 0 EEADMM Fc1cc(Nc2nccnc2-c2nnn[n-]2)ccc1N1CCCC1 ZINC000737651667 576116771 /nfs/dbraw/zinc/11/67/71/576116771.db2.gz MRRPGQUEYXBECI-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM Fc1cc(Nc2nccnc2-c2nn[n-]n2)ccc1N1CCCC1 ZINC000737651667 576116773 /nfs/dbraw/zinc/11/67/73/576116773.db2.gz MRRPGQUEYXBECI-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1O ZINC000740089309 576358401 /nfs/dbraw/zinc/35/84/01/576358401.db2.gz DNBLACCQOYKCSZ-UHFFFAOYSA-N -1 1 343.744 2.250 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2nc(C)no2)c(=O)[n-]1 ZINC000732514999 577183143 /nfs/dbraw/zinc/18/31/43/577183143.db2.gz IUEWHULLJYDWQX-QMMMGPOBSA-N -1 1 338.389 2.141 20 0 EEADMM C[C@H](CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(F)cc1 ZINC000773157549 577319748 /nfs/dbraw/zinc/31/97/48/577319748.db2.gz DNJFGYCUXZAIDK-ZWNOBZJWSA-N -1 1 335.408 2.149 20 0 EEADMM O=C(c1cc2cccc(F)c2o1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773158002 577319774 /nfs/dbraw/zinc/31/97/74/577319774.db2.gz GLOGJCFYURASDP-SNVBAGLBSA-N -1 1 333.348 2.015 20 0 EEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1C=O)c1ccccc1 ZINC000774904294 577422742 /nfs/dbraw/zinc/42/27/42/577422742.db2.gz GJAZXQDTATYFMM-MRXNPFEDSA-N -1 1 347.392 2.082 20 0 EEADMM COc1cccc([C@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000774933705 577423749 /nfs/dbraw/zinc/42/37/49/577423749.db2.gz SIWWZYQCLUACRJ-JTQLQIEISA-N -1 1 333.306 2.411 20 0 EEADMM O=C(c1cc2ccccc2c(Cl)n1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000775547542 577439376 /nfs/dbraw/zinc/43/93/76/577439376.db2.gz XAAWUABUDGYHAY-LLVKDONJSA-N -1 1 342.790 2.421 20 0 EEADMM O=C(Nc1cccnc1N1CCC(O)CC1)c1ccc([O-])cc1F ZINC000776139664 577452896 /nfs/dbraw/zinc/45/28/96/577452896.db2.gz RHENMPDJOLZLCW-UHFFFAOYSA-N -1 1 331.347 2.140 20 0 EEADMM O=C(Nn1cnc2ccccc21)c1nc[n-]c1C(=O)c1ccccc1 ZINC000776322406 577457671 /nfs/dbraw/zinc/45/76/71/577457671.db2.gz YTOXHVBVJGKOCK-UHFFFAOYSA-N -1 1 331.335 2.374 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000776563833 577462408 /nfs/dbraw/zinc/46/24/08/577462408.db2.gz LIHYGEDMRWPURF-CYBMUJFWSA-N -1 1 347.444 2.307 20 0 EEADMM CCOc1ccc(N2C[C@H](C(=O)[N-]OCC(F)(F)F)CC2=O)cc1 ZINC000766766254 577524565 /nfs/dbraw/zinc/52/45/65/577524565.db2.gz BRIOJSQWUHALTL-SNVBAGLBSA-N -1 1 346.305 2.048 20 0 EEADMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)n1C)C(F)(F)F ZINC000767608553 577541124 /nfs/dbraw/zinc/54/11/24/577541124.db2.gz XREZLWPIAOBUDU-POYBYMJQSA-N -1 1 333.763 2.329 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(CO)CC2)c([O-])c1 ZINC000771038203 577608377 /nfs/dbraw/zinc/60/83/77/577608377.db2.gz QDYMGXBGDADUGW-UHFFFAOYSA-N -1 1 336.388 2.242 20 0 EEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761950668 577692202 /nfs/dbraw/zinc/69/22/02/577692202.db2.gz KFAWEIYYIUYILO-UHFFFAOYSA-N -1 1 344.751 2.302 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccc[nH]1 ZINC000762192023 577696905 /nfs/dbraw/zinc/69/69/05/577696905.db2.gz AUGOQLCVBAKZFQ-LBPRGKRZSA-N -1 1 337.383 2.301 20 0 EEADMM N[C@H](C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000763018311 577712660 /nfs/dbraw/zinc/71/26/60/577712660.db2.gz IFKDVZNJFSCYIL-ZDUSSCGKSA-N -1 1 332.322 2.466 20 0 EEADMM O=C(NN1CC(=O)[N-]C1=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000752694858 577774788 /nfs/dbraw/zinc/77/47/88/577774788.db2.gz PTLMZNXRSVCTDH-HNNXBMFYSA-N -1 1 341.392 2.103 20 0 EEADMM CCN(CC)C(=O)CCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000756517542 577845583 /nfs/dbraw/zinc/84/55/83/577845583.db2.gz ZBYXNMKNADWABX-UHFFFAOYSA-N -1 1 347.367 2.190 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)CCCC(=O)[O-])N1CCCC1 ZINC000743411945 577885079 /nfs/dbraw/zinc/88/50/79/577885079.db2.gz LRDZQNAFSUXFGU-OAHLLOKOSA-N -1 1 334.416 2.203 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(NC(N)=O)c2)c1 ZINC000744575387 577900087 /nfs/dbraw/zinc/90/00/87/577900087.db2.gz ZZXKPXXUNBTZQX-UHFFFAOYSA-N -1 1 342.351 2.485 20 0 EEADMM CC(C)CC(=O)NCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000745208094 577910591 /nfs/dbraw/zinc/91/05/91/577910591.db2.gz DIQWPBOBYZUGDI-UHFFFAOYSA-N -1 1 347.367 2.094 20 0 EEADMM Cc1ccc(N2C[C@@H](C(=O)[N-]OCc3cccnc3)CC2=O)cc1F ZINC000746529557 577929526 /nfs/dbraw/zinc/92/95/26/577929526.db2.gz UXQIDRTWBKTNLT-AWEZNQCLSA-N -1 1 343.358 2.130 20 0 EEADMM CCc1noc(COC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000750551187 577995026 /nfs/dbraw/zinc/99/50/26/577995026.db2.gz JLCDRFIMWASWCG-UHFFFAOYSA-N -1 1 327.134 2.457 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)CN(C)C(=O)[O-])C3)[nH]c2c1 ZINC000738668096 578023301 /nfs/dbraw/zinc/02/33/01/578023301.db2.gz XXNKJAVNMGNMAU-LBPRGKRZSA-N -1 1 330.388 2.187 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N[C@@H](c1ccccc1)C1CC1)CC2 ZINC000739279160 578046694 /nfs/dbraw/zinc/04/66/94/578046694.db2.gz VVWNEYOTLRYDNW-AEFFLSMTSA-N -1 1 342.439 2.441 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000739638952 578061921 /nfs/dbraw/zinc/06/19/21/578061921.db2.gz HUVWYDNFEISYNO-ZBFHGGJFSA-N -1 1 334.391 2.428 20 0 EEADMM O=C([O-])NCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000739939006 578074372 /nfs/dbraw/zinc/07/43/72/578074372.db2.gz VPNBSYWSBXDEFP-AWEZNQCLSA-N -1 1 339.823 2.251 20 0 EEADMM CC(C)(C)c1csc(NC(=O)N2CCC(c3nn[n-]n3)CC2)n1 ZINC000735656696 578162941 /nfs/dbraw/zinc/16/29/41/578162941.db2.gz MSRFLWRIXZKIQW-UHFFFAOYSA-N -1 1 335.437 2.365 20 0 EEADMM CC(C)COCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735837518 578169500 /nfs/dbraw/zinc/16/95/00/578169500.db2.gz IUVGYSAJPRQXQT-UHFFFAOYSA-N -1 1 327.392 2.285 20 0 EEADMM CC(C)COCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735837518 578169501 /nfs/dbraw/zinc/16/95/01/578169501.db2.gz IUVGYSAJPRQXQT-UHFFFAOYSA-N -1 1 327.392 2.285 20 0 EEADMM C[C@@H](C(=O)N1CCc2ccccc21)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736212919 578187631 /nfs/dbraw/zinc/18/76/31/578187631.db2.gz VMEJLYORBBTKIL-DZGCQCFKSA-N -1 1 328.412 2.151 20 0 EEADMM C[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000736221928 578187939 /nfs/dbraw/zinc/18/79/39/578187939.db2.gz COUZZEPZEDXTFM-GOSISDBHSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000736221928 578187940 /nfs/dbraw/zinc/18/79/40/578187940.db2.gz COUZZEPZEDXTFM-GOSISDBHSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@H](C)C1 ZINC000736276464 578192920 /nfs/dbraw/zinc/19/29/20/578192920.db2.gz IFARMCWFYMTKDW-UWVGGRQHSA-N -1 1 346.460 2.086 20 0 EEADMM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)N1CC[C@H](C)C1 ZINC000736276464 578192921 /nfs/dbraw/zinc/19/29/21/578192921.db2.gz IFARMCWFYMTKDW-UWVGGRQHSA-N -1 1 346.460 2.086 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736398122 578200766 /nfs/dbraw/zinc/20/07/66/578200766.db2.gz XUTVAOULJRIIOV-HNNXBMFYSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736398122 578200767 /nfs/dbraw/zinc/20/07/67/578200767.db2.gz XUTVAOULJRIIOV-HNNXBMFYSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736390619 578200798 /nfs/dbraw/zinc/20/07/98/578200798.db2.gz IIUFLFSYUMPBIQ-AWEZNQCLSA-N -1 1 331.445 2.477 20 0 EEADMM CCCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736491229 578207251 /nfs/dbraw/zinc/20/72/51/578207251.db2.gz VHSKNZWNBFKQTB-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736491229 578207252 /nfs/dbraw/zinc/20/72/52/578207252.db2.gz VHSKNZWNBFKQTB-UHFFFAOYSA-N -1 1 339.355 2.408 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736532446 578209820 /nfs/dbraw/zinc/20/98/20/578209820.db2.gz SADDYWIRCFXEGU-UHFFFAOYSA-N -1 1 337.387 2.360 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736532446 578209821 /nfs/dbraw/zinc/20/98/21/578209821.db2.gz SADDYWIRCFXEGU-UHFFFAOYSA-N -1 1 337.387 2.360 20 0 EEADMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC000736573904 578212585 /nfs/dbraw/zinc/21/25/85/578212585.db2.gz YVRHGNBNIYTYPA-UWVGGRQHSA-N -1 1 330.331 2.268 20 0 EEADMM CCOc1ncccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736655351 578216701 /nfs/dbraw/zinc/21/67/01/578216701.db2.gz CEIMXHXFDQSRSO-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCOc1ncccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736655351 578216702 /nfs/dbraw/zinc/21/67/02/578216702.db2.gz CEIMXHXFDQSRSO-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCc1nn(Cc2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707862 578219054 /nfs/dbraw/zinc/21/90/54/578219054.db2.gz VLBMHAGWRCLYAB-UHFFFAOYSA-N -1 1 338.415 2.213 20 0 EEADMM CC1(C)[C@@H]2CN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)C[C@@H]21 ZINC000736727356 578220368 /nfs/dbraw/zinc/22/03/68/578220368.db2.gz VXLKNWMOJWVHIN-PHIMTYICSA-N -1 1 334.441 2.461 20 0 EEADMM C[C@@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N1[C@H](C)CC[C@@H]1C ZINC000736760298 578222098 /nfs/dbraw/zinc/22/20/98/578222098.db2.gz BYGFPHCRSRRKNJ-XQQFMLRXSA-N -1 1 345.399 2.337 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CN(C)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736878080 578228011 /nfs/dbraw/zinc/22/80/11/578228011.db2.gz LDMKBQGGWQQRJV-MLGOLLRUSA-N -1 1 340.851 2.430 20 0 EEADMM Cc1ccc([C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000737320381 578250234 /nfs/dbraw/zinc/25/02/34/578250234.db2.gz PWRJWXQTOZJJDY-ZCFIWIBFSA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc([C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000737320381 578250235 /nfs/dbraw/zinc/25/02/35/578250235.db2.gz PWRJWXQTOZJJDY-ZCFIWIBFSA-N -1 1 326.769 2.024 20 0 EEADMM Cc1ccc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2n1 ZINC000737374581 578253715 /nfs/dbraw/zinc/25/37/15/578253715.db2.gz NOYJVXWVNISEGW-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1ccc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2n1 ZINC000737374581 578253716 /nfs/dbraw/zinc/25/37/16/578253716.db2.gz NOYJVXWVNISEGW-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM CN(CC(=O)[O-])C(=O)CCN(Cc1ccco1)Cc1cccs1 ZINC000737402269 578255384 /nfs/dbraw/zinc/25/53/84/578255384.db2.gz GBEKTQYNNBURSL-UHFFFAOYSA-N -1 1 336.413 2.276 20 0 EEADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737421429 578256653 /nfs/dbraw/zinc/25/66/53/578256653.db2.gz IMKAYAJPCGPKGP-AWEZNQCLSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737421429 578256654 /nfs/dbraw/zinc/25/66/54/578256654.db2.gz IMKAYAJPCGPKGP-AWEZNQCLSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000737535132 578262818 /nfs/dbraw/zinc/26/28/18/578262818.db2.gz ZLXZHFMXIOIISH-UHFFFAOYSA-N -1 1 328.386 2.121 20 0 EEADMM O=C(N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738027321 578277051 /nfs/dbraw/zinc/27/70/51/578277051.db2.gz ZUDBLLJSQDEYKL-OAHLLOKOSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(N[C@@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738027321 578277052 /nfs/dbraw/zinc/27/70/52/578277052.db2.gz ZUDBLLJSQDEYKL-OAHLLOKOSA-N -1 1 334.383 2.459 20 0 EEADMM COCCCOc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821688601 607314243 /nfs/dbraw/zinc/31/42/43/607314243.db2.gz RJLMMEMPTUWYNR-UHFFFAOYSA-N -1 1 329.360 2.487 20 0 EEADMM COCCCOc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821688601 607314244 /nfs/dbraw/zinc/31/42/44/607314244.db2.gz RJLMMEMPTUWYNR-UHFFFAOYSA-N -1 1 329.360 2.487 20 0 EEADMM Cc1cccc(C(NCC(=O)NCC(=O)[O-])c2cccc(C)c2)c1 ZINC000821112194 597748113 /nfs/dbraw/zinc/74/81/13/597748113.db2.gz IUPGULWAIDXYRU-UHFFFAOYSA-N -1 1 326.396 2.183 20 0 EEADMM Fc1cccc(OC(F)F)c1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000822791518 599647610 /nfs/dbraw/zinc/64/76/10/599647610.db2.gz JADOOPDQTDHQFG-UHFFFAOYSA-N -1 1 339.277 2.490 20 0 EEADMM Fc1cccc(OC(F)F)c1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000822791518 599647611 /nfs/dbraw/zinc/64/76/11/599647611.db2.gz JADOOPDQTDHQFG-UHFFFAOYSA-N -1 1 339.277 2.490 20 0 EEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826316425 607391299 /nfs/dbraw/zinc/39/12/99/607391299.db2.gz NUFQLJFABCWXME-NWDGAFQWSA-N -1 1 341.396 2.479 20 0 EEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826316425 607391301 /nfs/dbraw/zinc/39/13/01/607391301.db2.gz NUFQLJFABCWXME-NWDGAFQWSA-N -1 1 341.396 2.479 20 0 EEADMM C[C@@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)[N@@H+](C)Cc1ccccc1 ZINC000390471857 600412336 /nfs/dbraw/zinc/41/23/36/600412336.db2.gz CDIRNZPSPCBBKR-HNNXBMFYSA-N -1 1 347.459 2.403 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000827368707 601123250 /nfs/dbraw/zinc/12/32/50/601123250.db2.gz HYLBXYREAHVFMP-VIFPVBQESA-N -1 1 345.321 2.117 20 0 EEADMM CCOc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1C ZINC000830049997 601131601 /nfs/dbraw/zinc/13/16/01/601131601.db2.gz URRACFJJMCHREQ-CQSZACIVSA-N -1 1 349.431 2.406 20 0 EEADMM CN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)c1nc2ccccc2s1 ZINC000830485470 601175621 /nfs/dbraw/zinc/17/56/21/601175621.db2.gz HPWLSNICGSVBDG-MRXNPFEDSA-N -1 1 333.413 2.102 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)N[C@H](C)c2ccccc2)CC1 ZINC000827709722 601337847 /nfs/dbraw/zinc/33/78/47/601337847.db2.gz DWXHCMHTFBAYGL-ZIAGYGMSSA-N -1 1 335.473 2.103 20 0 EEADMM CCOc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000830104673 601362478 /nfs/dbraw/zinc/36/24/78/601362478.db2.gz LREBCLZIKLNEBJ-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM Cc1ccc(/C=C\CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928800 601504136 /nfs/dbraw/zinc/50/41/36/601504136.db2.gz WTIXWXDNQSWRLI-MJSXRHKHSA-N -1 1 330.428 2.406 20 0 EEADMM Cc1ccc(N2C(=O)C[C@@H](N3CCC(CCC(=O)[O-])CC3)C2=O)cc1 ZINC000832934441 601788436 /nfs/dbraw/zinc/78/84/36/601788436.db2.gz DNAJBAFOQHSIQY-MRXNPFEDSA-N -1 1 344.411 2.204 20 0 EEADMM CCN(C(=O)CN[C@H](C(=O)[O-])C(C)C)c1nc2ccccc2s1 ZINC000818190124 601824591 /nfs/dbraw/zinc/82/45/91/601824591.db2.gz AIDFPJGUVFAASL-AWEZNQCLSA-N -1 1 335.429 2.348 20 0 EEADMM CCCCc1noc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825296714 607533623 /nfs/dbraw/zinc/53/36/23/607533623.db2.gz 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ZINC000826523081 607544930 /nfs/dbraw/zinc/54/49/30/607544930.db2.gz ZZRPHMGEBKRPCA-OLZOCXBDSA-N -1 1 336.399 2.278 20 0 EEADMM CC(=O)Nc1cc(F)c(F)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000824000096 607550178 /nfs/dbraw/zinc/55/01/78/607550178.db2.gz ULCVTUCAENWEBR-UHFFFAOYSA-N -1 1 345.313 2.110 20 0 EEADMM CC(=O)Nc1cc(F)c(F)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000824000096 607550180 /nfs/dbraw/zinc/55/01/80/607550180.db2.gz ULCVTUCAENWEBR-UHFFFAOYSA-N -1 1 345.313 2.110 20 0 EEADMM CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824243541 607572646 /nfs/dbraw/zinc/57/26/46/607572646.db2.gz ITWISKZAFQRXLW-JTQLQIEISA-N -1 1 341.412 2.109 20 0 EEADMM CC(C)CC[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824243541 607572647 /nfs/dbraw/zinc/57/26/47/607572647.db2.gz ITWISKZAFQRXLW-JTQLQIEISA-N -1 1 341.412 2.109 20 0 EEADMM CCC[C@H](CC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825241969 607600605 /nfs/dbraw/zinc/60/06/05/607600605.db2.gz FVKUWKKIVDNUKE-VIFPVBQESA-N -1 1 343.840 2.377 20 0 EEADMM CCC[C@H](CC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825241969 607600606 /nfs/dbraw/zinc/60/06/06/607600606.db2.gz FVKUWKKIVDNUKE-VIFPVBQESA-N -1 1 343.840 2.377 20 0 EEADMM CN(C)[C@H](CNC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000827994685 603969947 /nfs/dbraw/zinc/96/99/47/603969947.db2.gz MZBLAFBRSMYXFA-CYBMUJFWSA-N -1 1 327.812 2.107 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000833261685 604322666 /nfs/dbraw/zinc/32/26/66/604322666.db2.gz ONHKOJKRFUKCDK-CYBMUJFWSA-N -1 1 330.344 2.072 20 0 EEADMM COc1cc(OC)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(OC)c1 ZINC000405371992 604649444 /nfs/dbraw/zinc/64/94/44/604649444.db2.gz QINZUDBZCAEWPA-CQSZACIVSA-N -1 1 335.400 2.399 20 0 EEADMM CCCc1c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000829556540 604742728 /nfs/dbraw/zinc/74/27/28/604742728.db2.gz PJCVIDFFXPBXTQ-SECBINFHSA-N -1 1 332.404 2.366 20 0 EEADMM C[C@@H](C[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000827449678 604745079 /nfs/dbraw/zinc/74/50/79/604745079.db2.gz NQLAXAHWPUPMME-NSHDSACASA-N -1 1 347.440 2.444 20 0 EEADMM C[C@@H](CN(CC(=O)N(C)c1nc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000827449678 604745082 /nfs/dbraw/zinc/74/50/82/604745082.db2.gz NQLAXAHWPUPMME-NSHDSACASA-N -1 1 347.440 2.444 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1F ZINC000833139642 604808899 /nfs/dbraw/zinc/80/88/99/604808899.db2.gz YRQWXUFJOYUJEC-UHFFFAOYSA-N -1 1 342.370 2.312 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cccc(F)c1 ZINC000826294843 607716628 /nfs/dbraw/zinc/71/66/28/607716628.db2.gz GAEZVMHNWJUVQZ-UHFFFAOYSA-N -1 1 336.330 2.072 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n(C)n1 ZINC000833509414 605058350 /nfs/dbraw/zinc/05/83/50/605058350.db2.gz LWZZGOZQJGQVOX-UHFFFAOYSA-N -1 1 327.344 2.370 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000833618294 605114021 /nfs/dbraw/zinc/11/40/21/605114021.db2.gz AFEOXAILPRCVMT-IRBQFCFKSA-N -1 1 336.819 2.361 20 0 EEADMM Cc1cnc(N)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833754265 605265518 /nfs/dbraw/zinc/26/55/18/605265518.db2.gz VSEFVVCNDIFLRZ-UHFFFAOYSA-N -1 1 340.336 2.002 20 0 EEADMM O=C([O-])NCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000833776942 605660515 /nfs/dbraw/zinc/66/05/15/605660515.db2.gz CYLJVFLQNKQNOU-UHFFFAOYSA-N -1 1 337.339 2.345 20 0 EEADMM O=C([O-])NCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000833776942 605660520 /nfs/dbraw/zinc/66/05/20/605660520.db2.gz CYLJVFLQNKQNOU-UHFFFAOYSA-N -1 1 337.339 2.345 20 0 EEADMM Cc1cnn(CCCCCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822402755 606136550 /nfs/dbraw/zinc/13/65/50/606136550.db2.gz FJFVMTPJWDOUJF-UHFFFAOYSA-N -1 1 346.416 2.460 20 0 EEADMM Cc1cnn(CCCCCOC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822402755 606136552 /nfs/dbraw/zinc/13/65/52/606136552.db2.gz FJFVMTPJWDOUJF-UHFFFAOYSA-N -1 1 346.416 2.460 20 0 EEADMM Clc1ccc(N(Cc2cccnc2)C2CC2)nc1-c1nnn[n-]1 ZINC000822573683 606459702 /nfs/dbraw/zinc/45/97/02/606459702.db2.gz CXXSNOIBMLSJNO-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(N(Cc2cccnc2)C2CC2)nc1-c1nn[n-]n1 ZINC000822573683 606459704 /nfs/dbraw/zinc/45/97/04/606459704.db2.gz CXXSNOIBMLSJNO-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000819810361 606501160 /nfs/dbraw/zinc/50/11/60/606501160.db2.gz IHIGJAOEMPERGH-UHFFFAOYSA-N -1 1 346.347 2.278 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000819810361 606501161 /nfs/dbraw/zinc/50/11/61/606501161.db2.gz IHIGJAOEMPERGH-UHFFFAOYSA-N -1 1 346.347 2.278 20 0 EEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821417202 606517004 /nfs/dbraw/zinc/51/70/04/606517004.db2.gz JGQNRTIBQRKGAP-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821417202 606517006 /nfs/dbraw/zinc/51/70/06/606517006.db2.gz JGQNRTIBQRKGAP-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819817418 606548391 /nfs/dbraw/zinc/54/83/91/606548391.db2.gz FLZVKMWCMGAFOS-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819817418 606548394 /nfs/dbraw/zinc/54/83/94/606548394.db2.gz FLZVKMWCMGAFOS-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823155613 606557455 /nfs/dbraw/zinc/55/74/55/606557455.db2.gz VBPHAAYZANMFOE-SNVBAGLBSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823155613 606557457 /nfs/dbraw/zinc/55/74/57/606557457.db2.gz VBPHAAYZANMFOE-SNVBAGLBSA-N -1 1 345.359 2.321 20 0 EEADMM CN1CCOc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000821628897 606581411 /nfs/dbraw/zinc/58/14/11/606581411.db2.gz UCAXWSUPIAFKAJ-UHFFFAOYSA-N -1 1 342.384 2.009 20 0 EEADMM CN1CCOc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821628897 606581412 /nfs/dbraw/zinc/58/14/12/606581412.db2.gz UCAXWSUPIAFKAJ-UHFFFAOYSA-N -1 1 342.384 2.009 20 0 EEADMM C[C@H](CO[C@@H]1CCOC1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820287924 606634431 /nfs/dbraw/zinc/63/44/31/606634431.db2.gz SDFVPZAWDPZMFL-VXGBXAGGSA-N -1 1 340.387 2.021 20 0 EEADMM C[C@H](CO[C@@H]1CCOC1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820287924 606634432 /nfs/dbraw/zinc/63/44/32/606634432.db2.gz SDFVPZAWDPZMFL-VXGBXAGGSA-N -1 1 340.387 2.021 20 0 EEADMM O=C(Cc1ccccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823115132 606649004 /nfs/dbraw/zinc/64/90/04/606649004.db2.gz KSHWEMWRJVUXHC-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1ccccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823115132 606649005 /nfs/dbraw/zinc/64/90/05/606649005.db2.gz KSHWEMWRJVUXHC-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM CCCc1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821142032 606652718 /nfs/dbraw/zinc/65/27/18/606652718.db2.gz BRBJSZNNATVURX-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM CCCc1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821142032 606652719 /nfs/dbraw/zinc/65/27/19/606652719.db2.gz BRBJSZNNATVURX-UHFFFAOYSA-N -1 1 330.373 2.028 20 0 EEADMM O=C(OCc1ccc2c(c1)COC2)c1sccc1-c1nn[n-]n1 ZINC000823427167 606803856 /nfs/dbraw/zinc/80/38/56/606803856.db2.gz ZKOSPYVQFGYNEZ-UHFFFAOYSA-N -1 1 328.353 2.315 20 0 EEADMM CCc1noc(C)c1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000821552985 606872897 /nfs/dbraw/zinc/87/28/97/606872897.db2.gz DCSYYYXWUOUDBV-UHFFFAOYSA-N -1 1 336.355 2.089 20 0 EEADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)sc1C ZINC000822449864 607229120 /nfs/dbraw/zinc/22/91/20/607229120.db2.gz SDGXCEATFJXKQM-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccoc3)no2)c1-c1nnn[n-]1 ZINC000826377912 607864635 /nfs/dbraw/zinc/86/46/35/607864635.db2.gz LVQXTPXOXQTIMK-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccoc3)no2)c1-c1nn[n-]n1 ZINC000826377912 607864636 /nfs/dbraw/zinc/86/46/36/607864636.db2.gz LVQXTPXOXQTIMK-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826462037 607964635 /nfs/dbraw/zinc/96/46/35/607964635.db2.gz MQSKSMVFXIKVFF-IONNQARKSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(C=Cc1cccc(F)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826401377 607997530 /nfs/dbraw/zinc/99/75/30/607997530.db2.gz WTTOBMAJVVWVFE-QPJJXVBHSA-N -1 1 325.303 2.363 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)CC3 ZINC000826293362 609434725 /nfs/dbraw/zinc/43/47/25/609434725.db2.gz MCMGTSHAVLOCON-NSHDSACASA-N -1 1 346.398 2.416 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)CC3 ZINC000826293362 609434726 /nfs/dbraw/zinc/43/47/26/609434726.db2.gz MCMGTSHAVLOCON-NSHDSACASA-N -1 1 346.398 2.416 20 0 EEADMM CCOc1cccc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)n1 ZINC000825649642 609484944 /nfs/dbraw/zinc/48/49/44/609484944.db2.gz UCDPSBYEHGALDM-UHFFFAOYSA-N -1 1 343.416 2.360 20 0 EEADMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866849026 674649669 /nfs/dbraw/zinc/64/96/69/674649669.db2.gz PVJUXIQONDWIRG-IONNQARKSA-N -1 1 327.233 2.074 20 0 EEADMM CC(C)c1cnc(CN2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)o1 ZINC000969542660 675098483 /nfs/dbraw/zinc/09/84/83/675098483.db2.gz HLOBSBCHSFADNC-LBPRGKRZSA-N -1 1 344.415 2.149 20 0 EEADMM Cc1ccc(F)cc1CN1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001038192971 676052657 /nfs/dbraw/zinc/05/26/57/676052657.db2.gz GPRQNZNEUREMEF-HNNXBMFYSA-N -1 1 329.375 2.239 20 0 EEADMM CCn1c(CCNC(=O)c2ccc(N(C)C)c(F)c2)n[n-]c1=S ZINC000067076236 676122570 /nfs/dbraw/zinc/12/25/70/676122570.db2.gz BQLTVCKTGKYVTE-UHFFFAOYSA-N -1 1 337.424 2.138 20 0 EEADMM COc1cc(CCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1C ZINC000081827970 675490190 /nfs/dbraw/zinc/49/01/90/675490190.db2.gz NISWBCWCVXXUCM-UHFFFAOYSA-N -1 1 343.427 2.491 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000891327069 676387788 /nfs/dbraw/zinc/38/77/88/676387788.db2.gz FNQOGXLPORUEAS-TZMCWYRMSA-N -1 1 346.456 2.297 20 0 EEADMM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000175966006 676395661 /nfs/dbraw/zinc/39/56/61/676395661.db2.gz FYLWGJODUZKNCA-UHFFFAOYSA-N -1 1 348.211 2.196 20 0 EEADMM CN(Cc1ccncc1Cl)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971392966 676520812 /nfs/dbraw/zinc/52/08/12/676520812.db2.gz CWYMMLYJGMQYQZ-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(Br)n1 ZINC000891621050 676730190 /nfs/dbraw/zinc/73/01/90/676730190.db2.gz DQCZXSBZQXWWDJ-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM O=C(CCC1CCC1)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000971896873 677782424 /nfs/dbraw/zinc/78/24/24/677782424.db2.gz BTPHDCHLJMTBPD-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1csc(C[N@H+]2CC[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC000947231909 678573456 /nfs/dbraw/zinc/57/34/56/678573456.db2.gz PPNBOLYRASYXAJ-STQMWFEESA-N -1 1 346.456 2.335 20 0 EEADMM COC(=O)C1([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)CCC1 ZINC000935013017 679174709 /nfs/dbraw/zinc/17/47/09/679174709.db2.gz PMHGVIOEMVGPHE-UHFFFAOYSA-N -1 1 332.734 2.347 20 0 EEADMM C/C(=C\C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1ccccc1 ZINC000179537286 679940026 /nfs/dbraw/zinc/94/00/26/679940026.db2.gz WKFDARYQFJFWEG-PKNBQFBNSA-N -1 1 332.381 2.082 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cccs1 ZINC000984801374 685276857 /nfs/dbraw/zinc/27/68/57/685276857.db2.gz NWIFUXDLEBHJLJ-NWDGAFQWSA-N -1 1 345.424 2.272 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC001059059059 681326677 /nfs/dbraw/zinc/32/66/77/681326677.db2.gz QJYLOIDUMGKPOC-AWEZNQCLSA-N -1 1 339.395 2.069 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2cccs2)C1)c1ncccc1[O-] ZINC001059074320 681618916 /nfs/dbraw/zinc/61/89/16/681618916.db2.gz HHKBOJFOEYWSAH-LBPRGKRZSA-N -1 1 345.424 2.131 20 0 EEADMM CN(C(=O)C1CCCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212375 681688288 /nfs/dbraw/zinc/68/82/88/681688288.db2.gz VKLUZUAKEZJJMF-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC000983059426 681725077 /nfs/dbraw/zinc/72/50/77/681725077.db2.gz MWGQDRWBOCXDQK-KKUMJFAQSA-N -1 1 345.443 2.192 20 0 EEADMM CCn1c(CNC(=O)c2c(C)nn(C(C)(C)C)c2C)n[n-]c1=S ZINC000066636503 681763130 /nfs/dbraw/zinc/76/31/30/681763130.db2.gz JPXDWGVEBRSECF-UHFFFAOYSA-N -1 1 336.465 2.459 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982603814 681780936 /nfs/dbraw/zinc/78/09/36/681780936.db2.gz NYBWCTNWUICHOA-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)C[C@H](C)c1ccccc1 ZINC000163689365 682121329 /nfs/dbraw/zinc/12/13/29/682121329.db2.gz APBLAHMHZRPZHA-LBPRGKRZSA-N -1 1 340.383 2.006 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ccsc2)C1)c1ncccc1[O-] ZINC001059123158 682375268 /nfs/dbraw/zinc/37/52/68/682375268.db2.gz QLOYWCZBDSPZOG-LBPRGKRZSA-N -1 1 345.424 2.131 20 0 EEADMM COCc1nc(N2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc(=O)[n-]1 ZINC000894381951 682749938 /nfs/dbraw/zinc/74/99/38/682749938.db2.gz WDGQIWPTWGWEBM-QGZVFWFLSA-N -1 1 349.818 2.470 20 0 EEADMM Cc1nc([C@H]([N-]c2nnc(C(F)(F)F)s2)c2cnn(C)c2)no1 ZINC000894888769 683329668 /nfs/dbraw/zinc/32/96/68/683329668.db2.gz UUDRXGNMEPTIOY-SSDOTTSWSA-N -1 1 345.310 2.183 20 0 EEADMM N#Cc1cccc(C(=O)N[N-]C(=O)c2cc(Cl)ncc2Cl)c1 ZINC000152899850 683574995 /nfs/dbraw/zinc/57/49/95/683574995.db2.gz ASVZQXNRBSOAAL-UHFFFAOYSA-N -1 1 335.150 2.335 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000984023050 683976517 /nfs/dbraw/zinc/97/65/17/683976517.db2.gz HWFPSQYUIMRBAL-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984074398 684057882 /nfs/dbraw/zinc/05/78/82/684057882.db2.gz FQQNUOLOXMDHEZ-LBPRGKRZSA-N -1 1 335.379 2.114 20 0 EEADMM CN(C(=O)C(C)(C)C1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984110332 684112698 /nfs/dbraw/zinc/11/26/98/684112698.db2.gz AVNQSYITNDSSGE-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCCOC[C@H]1CCCO1)c1ccc2ccc(O)cc2c1[O-] ZINC000896389143 684962940 /nfs/dbraw/zinc/96/29/40/684962940.db2.gz UMYRBUJOUMRIKV-CQSZACIVSA-N -1 1 331.368 2.176 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000899924386 693925664 /nfs/dbraw/zinc/92/56/64/693925664.db2.gz YLRHMSOESLFUNL-UHFFFAOYSA-N -1 1 342.374 2.161 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCOC2(CCOCC2)C1 ZINC000897055796 686083968 /nfs/dbraw/zinc/08/39/68/686083968.db2.gz ULBOBZWGWGZRKM-UHFFFAOYSA-N -1 1 343.379 2.273 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC001059514720 686266167 /nfs/dbraw/zinc/26/61/67/686266167.db2.gz IQPVFVXUFWUOKX-LBPRGKRZSA-N -1 1 345.424 2.131 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2cccs2)C1)c1ncccc1[O-] ZINC000975217621 686311131 /nfs/dbraw/zinc/31/11/31/686311131.db2.gz DPZBLNZOULBLPR-GFCCVEGCSA-N -1 1 345.424 2.131 20 0 EEADMM O=C([N-][C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2F)C1)C(F)F ZINC000937585558 686956942 /nfs/dbraw/zinc/95/69/42/686956942.db2.gz CYAKYQQVGXBGTH-LURJTMIESA-N -1 1 338.688 2.214 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3CC(=O)[O-])n[nH]2)cc1C ZINC000909616672 687142181 /nfs/dbraw/zinc/14/21/81/687142181.db2.gz LNVKAKMTUYZLAT-CQSZACIVSA-N -1 1 343.383 2.009 20 0 EEADMM Cc1ncc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccccc3O)C2)cn1 ZINC001027308629 687349398 /nfs/dbraw/zinc/34/93/98/687349398.db2.gz QIBPSMFUASLBAN-INIZCTEOSA-N -1 1 340.427 2.227 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1)c1ncccc1[O-] ZINC000976124206 687350984 /nfs/dbraw/zinc/35/09/84/687350984.db2.gz BOZBFCNVRSNZGW-ZIAGYGMSSA-N -1 1 331.416 2.135 20 0 EEADMM O=C(NC[C@H]1CCCCN1c1cccc(F)n1)c1ncccc1[O-] ZINC001060137069 694120826 /nfs/dbraw/zinc/12/08/26/694120826.db2.gz BDMVNWGVOKOQNF-GFCCVEGCSA-N -1 1 330.363 2.110 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)C2=CCCC2)CC1 ZINC000986839422 688995680 /nfs/dbraw/zinc/99/56/80/688995680.db2.gz UIQNNUNSMPUMKA-CYBMUJFWSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H](C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1)C1CCCC1 ZINC001030010130 689191411 /nfs/dbraw/zinc/19/14/11/689191411.db2.gz FEAHNOFYZSZVBV-ZDUSSCGKSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979207966 694284133 /nfs/dbraw/zinc/28/41/33/694284133.db2.gz YGPOOOFGSMIZIA-BYNSBNAKSA-N -1 1 345.443 2.238 20 0 EEADMM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCC1 ZINC000866960091 689673242 /nfs/dbraw/zinc/67/32/42/689673242.db2.gz JYJLGUZMLHSFHZ-UHFFFAOYSA-N -1 1 336.816 2.359 20 0 EEADMM CN(C[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987726322 689977170 /nfs/dbraw/zinc/97/71/70/689977170.db2.gz CJXWFMMEMPGWGY-LSDHHAIUSA-N -1 1 343.427 2.064 20 0 EEADMM CC1(C)CCC(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000938137795 691601870 /nfs/dbraw/zinc/60/18/70/691601870.db2.gz GGASSZVHIKXIDD-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)[C@H](CC1CC1)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897969583 691826552 /nfs/dbraw/zinc/82/65/52/691826552.db2.gz FJXATNGTKNLZRG-HNNXBMFYSA-N -1 1 329.352 2.323 20 0 EEADMM O=C(N[C@H]1CCSC1)c1ccc(I)cc1[O-] ZINC000866132577 692015029 /nfs/dbraw/zinc/01/50/29/692015029.db2.gz OQEOLKPPUQJWRA-QMMMGPOBSA-N -1 1 349.193 2.232 20 0 EEADMM Cc1cnc(C)nc1NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001060021665 692809857 /nfs/dbraw/zinc/80/98/57/692809857.db2.gz VYURBHNRTSDSBY-AWEZNQCLSA-N -1 1 341.415 2.158 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ccc(Cl)o1)C(=O)c1ncccc1[O-] ZINC000977623736 692859550 /nfs/dbraw/zinc/85/95/50/692859550.db2.gz ZMDPMVVREXLXGL-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM O=C(NC1CCN(c2ncccn2)CC1)c1c([O-])cccc1Cl ZINC000148506460 693193513 /nfs/dbraw/zinc/19/35/13/693193513.db2.gz MLJKPVFQFWENSF-UHFFFAOYSA-N -1 1 332.791 2.234 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943174017 1192096647 /nfs/dbraw/zinc/09/66/47/1192096647.db2.gz MGPVDJRPNVHWLJ-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)C2(CF)CCC2)C1)c1ncccc1[O-] ZINC000943206209 1192115282 /nfs/dbraw/zinc/11/52/82/1192115282.db2.gz IEPMALBCEMMXGX-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM O=C(N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCC1 ZINC000943344013 1192184689 /nfs/dbraw/zinc/18/46/89/1192184689.db2.gz BEZUMRRAWOHSHY-ZDUSSCGKSA-N -1 1 349.406 2.180 20 0 EEADMM CCC(CC)(CC)C(=O)N1CCCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000943357539 1192219563 /nfs/dbraw/zinc/21/95/63/1192219563.db2.gz UQDQJVPROCLTHW-ZDUSSCGKSA-N -1 1 335.452 2.132 20 0 EEADMM CCCC[C@@H](C(=O)N(C)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001408555260 1178160143 /nfs/dbraw/zinc/16/01/43/1178160143.db2.gz VNLWKYKLTCXCDJ-CQSZACIVSA-N -1 1 335.448 2.438 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])Cc1ncc(C(C)(C)C)o1 ZINC001480970956 1179399853 /nfs/dbraw/zinc/39/98/53/1179399853.db2.gz JDIMCVCMBAEAMV-UHFFFAOYSA-N -1 1 346.431 2.325 20 0 EEADMM CC(C)CC(=O)N1CCC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000944378130 1193048139 /nfs/dbraw/zinc/04/81/39/1193048139.db2.gz REFVQHGVRKFENE-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ncccc1[O-] ZINC001268842196 1183760017 /nfs/dbraw/zinc/76/00/17/1183760017.db2.gz HAEVQSOPCHMWEV-IBGZPJMESA-N -1 1 343.427 2.351 20 0 EEADMM NC(=O)C1=CC2(CC1)CCN(C(=O)Cc1ccc([O-])c(Cl)c1)CC2 ZINC001269508353 1184331277 /nfs/dbraw/zinc/33/12/77/1184331277.db2.gz AYTUINYBKCFTDN-UHFFFAOYSA-N -1 1 348.830 2.402 20 0 EEADMM CC(C)NC(=S)N[N-]C(=O)c1cc(Br)ccc1F ZINC000015876486 1185534314 /nfs/dbraw/zinc/53/43/14/1185534314.db2.gz ACKSXDRLYWKDFP-UHFFFAOYSA-N -1 1 334.214 2.106 20 0 EEADMM O=C(c1cncc([O-])c1)N1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001271385127 1186176729 /nfs/dbraw/zinc/17/67/29/1186176729.db2.gz CXZIPBWUBMRGTQ-LJQANCHMSA-N -1 1 343.427 2.327 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945161408 1193408175 /nfs/dbraw/zinc/40/81/75/1193408175.db2.gz PJTHYWVFJGZGHC-DGCLKSJQSA-N -1 1 345.424 2.129 20 0 EEADMM CC(C)=CCN1CC[C@@]2(CCCN2C(=O)c2ccc(F)c(=O)[n-]2)C1=O ZINC001271741488 1186453009 /nfs/dbraw/zinc/45/30/09/1186453009.db2.gz XDGWRXBGVULKFB-SFHVURJKSA-N -1 1 347.390 2.100 20 0 EEADMM CN1c2ccccc2[C@@]2(CCN(C(=O)c3ccc(F)c([O-])c3)C2)C1=O ZINC001272225924 1188413323 /nfs/dbraw/zinc/41/33/23/1188413323.db2.gz AAKCVWCGLSIEMW-IBGZPJMESA-N -1 1 340.354 2.292 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C2(C(C)C)CCC2)c1 ZINC001142650671 1188645361 /nfs/dbraw/zinc/64/53/61/1188645361.db2.gz FKZFCSQEAQHDQR-UHFFFAOYSA-N -1 1 326.418 2.065 20 0 EEADMM C[C@@H](CCNC(=O)[C@@H](C)CC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001076491456 1188949053 /nfs/dbraw/zinc/94/90/53/1188949053.db2.gz FJIFITMKKRQRNL-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM CCc1nc(CN[C@@H](C(=O)[O-])c2ccccc2Br)n[nH]1 ZINC000905394795 1189717724 /nfs/dbraw/zinc/71/77/24/1189717724.db2.gz INWMNTRMSBIBGF-GFCCVEGCSA-N -1 1 339.193 2.045 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNC(=O)CC1(C)CC1 ZINC001409858863 1190705595 /nfs/dbraw/zinc/70/55/95/1190705595.db2.gz YGSARIDETMSGPJ-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ccsc2)CCCN1C(=O)c1ncccc1[O-] ZINC001014741927 1224271637 /nfs/dbraw/zinc/27/16/37/1224271637.db2.gz GBSPRJZMUZCEPF-AAEUAGOBSA-N -1 1 345.424 2.272 20 0 EEADMM C/C=C(/C)C(=O)N1CCCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001005404159 1195380593 /nfs/dbraw/zinc/38/05/93/1195380593.db2.gz GNYWSPNAKBUASW-SUSILRQXSA-N -1 1 331.416 2.254 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)C=C2CCC2)CN1C(=O)c1ncccc1[O-] ZINC001018076596 1224299816 /nfs/dbraw/zinc/29/98/16/1224299816.db2.gz XTFANANIOMJACS-GXTWGEPZSA-N -1 1 329.400 2.007 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCCCN(Cc3cccc(F)c3)C2)c1[O-] ZINC001034164677 1195881721 /nfs/dbraw/zinc/88/17/21/1195881721.db2.gz GYIQYVQQFNKAPC-HNNXBMFYSA-N -1 1 346.406 2.347 20 0 EEADMM C[C@H]1CCC[C@H]1CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001409976024 1196079490 /nfs/dbraw/zinc/07/94/90/1196079490.db2.gz ACGRLXBVXHEYAU-KBPBESRZSA-N -1 1 333.432 2.144 20 0 EEADMM Cc1cocc1C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])CC[C@H]1C ZINC001018103468 1224339064 /nfs/dbraw/zinc/33/90/64/1224339064.db2.gz GJJVYLGDINJDNS-CHWSQXEVSA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccnc(F)c1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001212561565 1196712811 /nfs/dbraw/zinc/71/28/11/1196712811.db2.gz YLRKSNIXINZQSP-UHFFFAOYSA-N -1 1 325.321 2.245 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCCCC1 ZINC001011559631 1224364874 /nfs/dbraw/zinc/36/48/74/1224364874.db2.gz CFRBXLZQFQRIOI-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC000864611396 1197835384 /nfs/dbraw/zinc/83/53/84/1197835384.db2.gz FEGHCUAENINBCQ-XWIASGKRSA-N -1 1 344.333 2.274 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)C2=CCCC2)CCCN1C(=O)c1ncccc1[O-] ZINC001014867659 1224466210 /nfs/dbraw/zinc/46/62/10/1224466210.db2.gz UKPKOSOYAPLFID-OCCSQVGLSA-N -1 1 329.400 2.007 20 0 EEADMM O=C(CCCC1CCOCC1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000336985073 1198276007 /nfs/dbraw/zinc/27/60/07/1198276007.db2.gz GYKDYBRMRNBTSV-UHFFFAOYSA-N -1 1 345.403 2.314 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(F)=C1CCCC1 ZINC001011647444 1224472345 /nfs/dbraw/zinc/47/23/45/1224472345.db2.gz CILWOWUFQWTAAQ-DGCLKSJQSA-N -1 1 347.390 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EEADMM CO[C@@H](C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1)C(C)C ZINC000870161960 1200527938 /nfs/dbraw/zinc/52/79/38/1200527938.db2.gz DPJLWFSCYIFWJX-MRXNPFEDSA-N -1 1 340.851 2.361 20 0 EEADMM O=C([N-]OC/C=C/Cl)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000812404695 1200679562 /nfs/dbraw/zinc/67/95/62/1200679562.db2.gz JAYNCTVGKFTAPB-VXTUICGHSA-N -1 1 334.803 2.329 20 0 EEADMM O=C([N-]OC1CCC1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000812790400 1200919664 /nfs/dbraw/zinc/91/96/64/1200919664.db2.gz PXCFVUYXNZXLBU-VIFPVBQESA-N -1 1 326.755 2.432 20 0 EEADMM CC(C)OCCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000812806379 1200941873 /nfs/dbraw/zinc/94/18/73/1200941873.db2.gz ZOZATWMVNZZKNO-MRXNPFEDSA-N -1 1 346.427 2.001 20 0 EEADMM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866597342 1201557702 /nfs/dbraw/zinc/55/77/02/1201557702.db2.gz QZEDSDXUCFUXJA-DTWKUNHWSA-N -1 1 336.255 2.277 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C(F)(F)F ZINC000866787027 1201605708 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Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)cs1 ZINC001011896219 1224708268 /nfs/dbraw/zinc/70/82/68/1224708268.db2.gz LKRGWXFTECWTCZ-WCQYABFASA-N -1 1 345.424 2.190 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)nc1 ZINC000886445148 1202509609 /nfs/dbraw/zinc/50/96/09/1202509609.db2.gz XPBHZAWGQBEIJK-UHFFFAOYSA-N -1 1 334.397 2.373 20 0 EEADMM CN(CC(=O)NCCC1=CCCCC1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000887047961 1204189025 /nfs/dbraw/zinc/18/90/25/1204189025.db2.gz YTHIFTGCRBTUIS-UHFFFAOYSA-N -1 1 344.411 2.040 20 0 EEADMM CCOc1ncc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1F ZINC001212833128 1204391276 /nfs/dbraw/zinc/39/12/76/1204391276.db2.gz IUGNGMHNHURWJI-UHFFFAOYSA-N -1 1 326.349 2.472 20 0 EEADMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc([O-])c1F ZINC001275406808 1205345126 /nfs/dbraw/zinc/34/51/26/1205345126.db2.gz HLBIHHQDTMXCHE-TXEJJXNPSA-N -1 1 347.415 2.395 20 0 EEADMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC001275624284 1205449562 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HVWLAXFGASOPFB-GFCCVEGCSA-N -1 1 328.298 2.262 20 0 EEADMM CCC(C)(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001609182674 1351879707 /nfs/dbraw/zinc/87/97/07/1351879707.db2.gz LMFUQVKRRXCSDY-UHFFFAOYSA-N -1 1 325.372 2.187 20 0 EEADMM CC[C@H](C)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609185543 1351880567 /nfs/dbraw/zinc/88/05/67/1351880567.db2.gz JRIUFPNIKIEVDB-OIBJUYFYSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@H](C)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609185543 1351880569 /nfs/dbraw/zinc/88/05/69/1351880569.db2.gz JRIUFPNIKIEVDB-OIBJUYFYSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@@H](C)c1ccc(C(=O)COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001609187612 1351882427 /nfs/dbraw/zinc/88/24/27/1351882427.db2.gz KCFWPELZZZWYDQ-LLVKDONJSA-N -1 1 338.371 2.432 20 0 EEADMM CCN(C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(C)C ZINC001609220200 1351898701 /nfs/dbraw/zinc/89/87/01/1351898701.db2.gz HZLKOZDYCVEDRO-UHFFFAOYSA-N -1 1 328.298 2.151 20 0 EEADMM COc1cc(NCc2nc(-c3nnn[n-]3)cs2)cc2cccnc21 ZINC001609346554 1351940517 /nfs/dbraw/zinc/94/05/17/1351940517.db2.gz CLKPUURJDUUTKP-UHFFFAOYSA-N -1 1 339.384 2.492 20 0 EEADMM COc1cc(NCc2nc(-c3nn[n-]n3)cs2)cc2cccnc21 ZINC001609346554 1351940518 /nfs/dbraw/zinc/94/05/18/1351940518.db2.gz CLKPUURJDUUTKP-UHFFFAOYSA-N -1 1 339.384 2.492 20 0 EEADMM COc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1F ZINC001609360661 1351946745 /nfs/dbraw/zinc/94/67/45/1351946745.db2.gz HASOIEFWIGHPGD-BQYQJAHWSA-N -1 1 342.334 2.379 20 0 EEADMM COc1cccc([C@@H](C)c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001609361348 1351946886 /nfs/dbraw/zinc/94/68/86/1351946886.db2.gz VSYPRNSBJVJXDW-SNVBAGLBSA-N -1 1 349.354 2.472 20 0 EEADMM COc1cccc([C@@H](C)c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001609361348 1351946888 /nfs/dbraw/zinc/94/68/88/1351946888.db2.gz VSYPRNSBJVJXDW-SNVBAGLBSA-N -1 1 349.354 2.472 20 0 EEADMM Cc1nc2ccccc2n1CCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609410507 1351965658 /nfs/dbraw/zinc/96/56/58/1351965658.db2.gz JXJIDKPIJPJBDZ-UHFFFAOYSA-N -1 1 334.387 2.340 20 0 EEADMM Cc1cc(NCc2cccc(N3CCCC3=O)c2)cc(-c2nnn[n-]2)n1 ZINC001609410341 1351966120 /nfs/dbraw/zinc/96/61/20/1351966120.db2.gz FNZPKXYBCZOWQX-UHFFFAOYSA-N -1 1 349.398 2.309 20 0 EEADMM Cc1cc(NCc2cccc(N3CCCC3=O)c2)cc(-c2nn[n-]n2)n1 ZINC001609410341 1351966121 /nfs/dbraw/zinc/96/61/21/1351966121.db2.gz FNZPKXYBCZOWQX-UHFFFAOYSA-N -1 1 349.398 2.309 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001609425487 1351971330 /nfs/dbraw/zinc/97/13/30/1351971330.db2.gz RQFZSAWVIJTMJD-BEAPCOKYSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001609425487 1351971332 /nfs/dbraw/zinc/97/13/32/1351971332.db2.gz RQFZSAWVIJTMJD-BEAPCOKYSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccc(CSCCNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609424527 1351971536 /nfs/dbraw/zinc/97/15/36/1351971536.db2.gz QHGUYMNHNADGQS-UHFFFAOYSA-N -1 1 343.412 2.431 20 0 EEADMM Cc1ccc(CSCCNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609424527 1351971537 /nfs/dbraw/zinc/97/15/37/1351971537.db2.gz QHGUYMNHNADGQS-UHFFFAOYSA-N -1 1 343.412 2.431 20 0 EEADMM Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)nc1-c1nnn[n-]1 ZINC001609424914 1351971571 /nfs/dbraw/zinc/97/15/71/1351971571.db2.gz OHUYWZAXQYTMOB-UHFFFAOYSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)nc1-c1nn[n-]n1 ZINC001609424914 1351971572 /nfs/dbraw/zinc/97/15/72/1351971572.db2.gz OHUYWZAXQYTMOB-UHFFFAOYSA-N -1 1 344.419 2.128 20 0 EEADMM Clc1nc(N[C@H]2CCOC3(CCC3)C2)sc1-c1nnn[n-]1 ZINC001609474513 1351990748 /nfs/dbraw/zinc/99/07/48/1351990748.db2.gz CWUFGWXNRHSSPS-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nc(N[C@H]2CCOC3(CCC3)C2)sc1-c1nn[n-]n1 ZINC001609474513 1351990749 /nfs/dbraw/zinc/99/07/49/1351990749.db2.gz CWUFGWXNRHSSPS-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Fc1ccccc1CSCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609492706 1351997505 /nfs/dbraw/zinc/99/75/05/1351997505.db2.gz VMVSYAZIXFJUJL-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM Fc1ccccc1CSCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609492706 1351997506 /nfs/dbraw/zinc/99/75/06/1351997506.db2.gz VMVSYAZIXFJUJL-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM O=C(NCCF)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC001609548580 1352012286 /nfs/dbraw/zinc/01/22/86/1352012286.db2.gz UERHMBCRMYVBAG-UHFFFAOYSA-N -1 1 346.391 2.364 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609566359 1352017962 /nfs/dbraw/zinc/01/79/62/1352017962.db2.gz UMYOCFCMZCWLDK-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609566359 1352017967 /nfs/dbraw/zinc/01/79/67/1352017967.db2.gz UMYOCFCMZCWLDK-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cc(-c2ccccc2)no1 ZINC001609577734 1352024604 /nfs/dbraw/zinc/02/46/04/1352024604.db2.gz UMFWGIWWTDCWMW-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cc(-c2ccccc2)no1 ZINC001609577734 1352024610 /nfs/dbraw/zinc/02/46/10/1352024610.db2.gz UMFWGIWWTDCWMW-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM CC[C@H](CCO)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001337168800 1336656458 /nfs/dbraw/zinc/65/64/58/1336656458.db2.gz CBUPMZZZQKZNKR-MRVPVSSYSA-N -1 1 327.233 2.075 20 0 EEADMM C[C@H](NC(=S)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccs1 ZINC001609772413 1352081581 /nfs/dbraw/zinc/08/15/81/1352081581.db2.gz CVUXDECQMTWQNP-NEPJUHHUSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@H](NC[C@H](O)COCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC001609774417 1352082251 /nfs/dbraw/zinc/08/22/51/1352082251.db2.gz UHGZBORYORWVOM-UWVGGRQHSA-N -1 1 342.442 2.131 20 0 EEADMM C[C@@H](c1ccccc1)[C@H](NCc1ccc(C(=O)[O-])cc1F)C(N)=O ZINC001609807714 1352089902 /nfs/dbraw/zinc/08/99/02/1352089902.db2.gz NXRXEGQHLZOHIA-ZBEGNZNMSA-N -1 1 330.359 2.271 20 0 EEADMM C[C@]1(C2CCCC2)CC(=O)N(CN2CCSC[C@H](C(=O)[O-])C2)C1 ZINC001609822414 1352094188 /nfs/dbraw/zinc/09/41/88/1352094188.db2.gz UYTSBMAHBUSYHP-DYVFJYSZSA-N -1 1 340.489 2.122 20 0 EEADMM C[C@@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC001609865651 1352106233 /nfs/dbraw/zinc/10/62/33/1352106233.db2.gz KGXGJQDPHDQXNL-ZIAGYGMSSA-N -1 1 341.411 2.448 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cnc(Cl)c(Cl)c1 ZINC001609870531 1352108335 /nfs/dbraw/zinc/10/83/35/1352108335.db2.gz IXJSNVYIYJAKIJ-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM Cn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccccc2C2(CCC2)C1 ZINC001339940930 1337100140 /nfs/dbraw/zinc/10/01/40/1337100140.db2.gz VELNIGZAZPOYPJ-UHFFFAOYSA-N -1 1 336.399 2.353 20 0 EEADMM C[C@H]1CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)c2ccccc21 ZINC001350421425 1337708425 /nfs/dbraw/zinc/70/84/25/1337708425.db2.gz KHJZFVGQGMHCJU-NSHDSACASA-N -1 1 336.403 2.047 20 0 EEADMM C[C@H]1CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)c2ccccc21 ZINC001350421425 1337708428 /nfs/dbraw/zinc/70/84/28/1337708428.db2.gz KHJZFVGQGMHCJU-NSHDSACASA-N -1 1 336.403 2.047 20 0 EEADMM CN(Cc1cccc(C(=O)[O-])n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001610123057 1352167216 /nfs/dbraw/zinc/16/72/16/1352167216.db2.gz VSVJGYVDUPMAMA-CYBMUJFWSA-N -1 1 335.404 2.221 20 0 EEADMM O=C(C1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001352596267 1337993235 /nfs/dbraw/zinc/99/32/35/1337993235.db2.gz OKHYIFGAVKBACR-GFCCVEGCSA-N -1 1 347.378 2.453 20 0 EEADMM COc1cccc(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1O ZINC001610357417 1352210377 /nfs/dbraw/zinc/21/03/77/1352210377.db2.gz YEOMVVUNLBFZMQ-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCOC[C@H]3CC(=O)[O-])n[nH]2)c(C)c1 ZINC001610479545 1352229513 /nfs/dbraw/zinc/22/95/13/1352229513.db2.gz KTPYREGAUHKVPS-CYBMUJFWSA-N -1 1 343.383 2.009 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)c3ccc(C(=O)[O-])[nH]3)CC2)cc1 ZINC001610500283 1352233845 /nfs/dbraw/zinc/23/38/45/1352233845.db2.gz CAUROXZZHXQDCN-UHFFFAOYSA-N -1 1 341.411 2.369 20 0 EEADMM Cc1nc2cccc(C(=O)N3C[C@@H](C(=O)[O-])Oc4ccccc43)c2[nH]1 ZINC001610559049 1352244564 /nfs/dbraw/zinc/24/45/64/1352244564.db2.gz BFUBMSBOSUTGCU-HNNXBMFYSA-N -1 1 337.335 2.364 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001610701917 1352261709 /nfs/dbraw/zinc/26/17/09/1352261709.db2.gz XCUHBPHGLVKPQY-XHSDSOJGSA-N -1 1 327.384 2.106 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cccc(-c4nc[nH]n4)c3)[nH]c21 ZINC001610713272 1352263765 /nfs/dbraw/zinc/26/37/65/1352263765.db2.gz WNQZUBUUVIGGFP-UHFFFAOYSA-N -1 1 348.322 2.299 20 0 EEADMM O=C([O-])CCCCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC001610768739 1352271688 /nfs/dbraw/zinc/27/16/88/1352271688.db2.gz HXAFIUONBSFMFX-UHFFFAOYSA-N -1 1 331.376 2.424 20 0 EEADMM O=C([O-])Cn1cc(CCN2CCC(=Cc3cccc(F)c3)CC2)nn1 ZINC001610799656 1352276891 /nfs/dbraw/zinc/27/68/91/1352276891.db2.gz XHRYBRYWQDRVHW-UHFFFAOYSA-N -1 1 344.390 2.224 20 0 EEADMM O=C([O-])c1cccc(OCC[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC001610849061 1352285320 /nfs/dbraw/zinc/28/53/20/1352285320.db2.gz FDCFZCHTYLCTCK-WQVCFCJDSA-N -1 1 333.384 2.481 20 0 EEADMM CCC(CC)CC(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001430743727 1340316894 /nfs/dbraw/zinc/31/68/94/1340316894.db2.gz UXZYJOHUQIXYHD-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM Cc1c2cc(Br)ccc2oc1C(=O)N(C)c1nn[n-]n1 ZINC001617642156 1352343293 /nfs/dbraw/zinc/34/32/93/1352343293.db2.gz LHMMGPMCHVVJCD-UHFFFAOYSA-N -1 1 336.149 2.293 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cc(F)c1 ZINC001432658930 1341355304 /nfs/dbraw/zinc/35/53/04/1341355304.db2.gz ZIIMKVHPQFNKJH-AWEZNQCLSA-N -1 1 345.374 2.173 20 0 EEADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001433548856 1341622885 /nfs/dbraw/zinc/62/28/85/1341622885.db2.gz IFVYSYVEINLPEQ-UONOGXRCSA-N -1 1 341.411 2.134 20 0 EEADMM CCC[C@@H](NC(=O)c1oc(C2CC2)nc1C(F)F)c1nn[n-]n1 ZINC001433761907 1341681562 /nfs/dbraw/zinc/68/15/62/1341681562.db2.gz URVJQTWFPHCFTE-SSDOTTSWSA-N -1 1 326.307 2.274 20 0 EEADMM O=C(Nc1ccc(-c2ccon2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC001673188512 1356652726 /nfs/dbraw/zinc/65/27/26/1356652726.db2.gz GUGGTAXJDWHYOL-UHFFFAOYSA-N -1 1 339.359 2.266 20 0 EEADMM O=c1nc(N[C@H]2CCCO[C@H]2c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC001553850184 1342375166 /nfs/dbraw/zinc/37/51/66/1342375166.db2.gz IVRBZLANXUBSJV-STQMWFEESA-N -1 1 345.790 2.418 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576398865 1344009471 /nfs/dbraw/zinc/00/94/71/1344009471.db2.gz QHXMCVXFFKNMMQ-VCFDLTMXSA-N -1 1 347.448 2.001 20 0 EEADMM CCC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)OC ZINC000091142401 1357163371 /nfs/dbraw/zinc/16/33/71/1357163371.db2.gz BKCMLPYYNWDDAE-JTQLQIEISA-N -1 1 330.178 2.226 20 0 EEADMM CCCCC(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577396626 1344140785 /nfs/dbraw/zinc/14/07/85/1344140785.db2.gz YIIQBYHUZCUUNV-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CCCCC(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577396626 1344140782 /nfs/dbraw/zinc/14/07/82/1344140782.db2.gz YIIQBYHUZCUUNV-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cccc2cccnc21 ZINC001578879131 1344313074 /nfs/dbraw/zinc/31/30/74/1344313074.db2.gz HGOWADNCIBBHFV-UHFFFAOYSA-N -1 1 345.366 2.015 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cccc2cccnc21 ZINC001578879131 1344313076 /nfs/dbraw/zinc/31/30/76/1344313076.db2.gz HGOWADNCIBBHFV-UHFFFAOYSA-N -1 1 345.366 2.015 20 0 EEADMM CN(C(=O)CSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001578880258 1344313666 /nfs/dbraw/zinc/31/36/66/1344313666.db2.gz ZQCYEWPVSSQTAC-UHFFFAOYSA-N -1 1 326.385 2.017 20 0 EEADMM CN(C(=O)CSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001578880258 1344313668 /nfs/dbraw/zinc/31/36/68/1344313668.db2.gz ZQCYEWPVSSQTAC-UHFFFAOYSA-N -1 1 326.385 2.017 20 0 EEADMM COc1cnc([C@@H]2CCCN2C(=O)c2cc(N)ccc2C)[n-]c1=O ZINC001579322091 1344370423 /nfs/dbraw/zinc/37/04/23/1344370423.db2.gz MFLJFZKYQDNSKM-ZDUSSCGKSA-N -1 1 328.372 2.059 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nnn[n-]2)c2ccc(F)cc21 ZINC001579374714 1344376283 /nfs/dbraw/zinc/37/62/83/1344376283.db2.gz FVSYLPBWTPSQGP-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nn[n-]n2)c2ccc(F)cc21 ZINC001579374714 1344376286 /nfs/dbraw/zinc/37/62/86/1344376286.db2.gz FVSYLPBWTPSQGP-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001579482329 1344388561 /nfs/dbraw/zinc/38/85/61/1344388561.db2.gz DBDYYSXPXKHCIC-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001580073529 1344465457 /nfs/dbraw/zinc/46/54/57/1344465457.db2.gz CXFDHTGCJRACBC-AAEUAGOBSA-N -1 1 339.355 2.002 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001580073529 1344465463 /nfs/dbraw/zinc/46/54/63/1344465463.db2.gz CXFDHTGCJRACBC-AAEUAGOBSA-N -1 1 339.355 2.002 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133088 1344478003 /nfs/dbraw/zinc/47/80/03/1344478003.db2.gz GPGOKAUEAYQMDL-GARJFASQSA-N -1 1 330.392 2.281 20 0 EEADMM Cc1cc(F)cc(C)c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580937995 1344574143 /nfs/dbraw/zinc/57/41/43/1344574143.db2.gz QPJHEWRGSJJKRH-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1cc(F)cc(C)c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580937995 1344574144 /nfs/dbraw/zinc/57/41/44/1344574144.db2.gz QPJHEWRGSJJKRH-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1ccc(Br)cc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001581138226 1344591980 /nfs/dbraw/zinc/59/19/80/1344591980.db2.gz TYCISHOGQOMGFX-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM Cc1ccc(OC(F)F)c(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001581209824 1344598182 /nfs/dbraw/zinc/59/81/82/1344598182.db2.gz WQFGLVJTDRGVSG-UHFFFAOYSA-N -1 1 349.297 2.300 20 0 EEADMM Cc1ccc(OC(F)F)c(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001581209824 1344598183 /nfs/dbraw/zinc/59/81/83/1344598183.db2.gz WQFGLVJTDRGVSG-UHFFFAOYSA-N -1 1 349.297 2.300 20 0 EEADMM Cc1nsc(NC[C@@H](C)N(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001581707650 1344656451 /nfs/dbraw/zinc/65/64/51/1344656451.db2.gz NQTCFDOZGNXZMP-SECBINFHSA-N -1 1 347.448 2.001 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581714788 1344657786 /nfs/dbraw/zinc/65/77/86/1344657786.db2.gz DCBZXDFZTGOHFO-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM O=C(N[C@H]1C[C@]1(F)c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001582263430 1344720414 /nfs/dbraw/zinc/72/04/14/1344720414.db2.gz VZWPPBGAYJXNJZ-WFASDCNBSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cccc(-c2nnn[n-]2)n1 ZINC001582337792 1344735534 /nfs/dbraw/zinc/73/55/34/1344735534.db2.gz UJIVPEGTVNATCF-WFASDCNBSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cccc(-c2nn[n-]n2)n1 ZINC001582337792 1344735537 /nfs/dbraw/zinc/73/55/37/1344735537.db2.gz UJIVPEGTVNATCF-WFASDCNBSA-N -1 1 338.346 2.017 20 0 EEADMM BrC1=CCCN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001588316246 1348884583 /nfs/dbraw/zinc/88/45/83/1348884583.db2.gz OUPKHHNGRAGJMG-UHFFFAOYSA-N -1 1 326.223 2.413 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001589026436 1348952913 /nfs/dbraw/zinc/95/29/13/1348952913.db2.gz JYBICHQBBVUSMH-JTQLQIEISA-N -1 1 333.392 2.154 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(Cc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001589026436 1348952916 /nfs/dbraw/zinc/95/29/16/1348952916.db2.gz JYBICHQBBVUSMH-JTQLQIEISA-N -1 1 333.392 2.154 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001589098264 1348958566 /nfs/dbraw/zinc/95/85/66/1348958566.db2.gz ALHXNAAWRZYQPI-AAEUAGOBSA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001589098264 1348958568 /nfs/dbraw/zinc/95/85/68/1348958568.db2.gz ALHXNAAWRZYQPI-AAEUAGOBSA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)OC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001589145476 1348965874 /nfs/dbraw/zinc/96/58/74/1348965874.db2.gz SMAXAZMKTYRRGF-GFCCVEGCSA-N -1 1 344.419 2.432 20 0 EEADMM CC(C)(C)OC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001589145476 1348965879 /nfs/dbraw/zinc/96/58/79/1348965879.db2.gz SMAXAZMKTYRRGF-GFCCVEGCSA-N -1 1 344.419 2.432 20 0 EEADMM CC(C)(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001589286701 1348980100 /nfs/dbraw/zinc/98/01/00/1348980100.db2.gz OPCFLZFMFDVFCZ-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001589286701 1348980103 /nfs/dbraw/zinc/98/01/03/1348980103.db2.gz OPCFLZFMFDVFCZ-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)CCSCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589607488 1349009515 /nfs/dbraw/zinc/00/95/15/1349009515.db2.gz LTOPNVGDDVCCRH-UHFFFAOYSA-N -1 1 325.463 2.324 20 0 EEADMM CC(C)CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589628483 1349012800 /nfs/dbraw/zinc/01/28/00/1349012800.db2.gz FIGUZVSFOXFNAY-UHFFFAOYSA-N -1 1 347.400 2.311 20 0 EEADMM CC(C)OC(=O)CC[C@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589802463 1349048229 /nfs/dbraw/zinc/04/82/29/1349048229.db2.gz IUFIWJOFEWUGSN-VIFPVBQESA-N -1 1 338.799 2.447 20 0 EEADMM CC(C)OC(=O)CC[C@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589802463 1349048234 /nfs/dbraw/zinc/04/82/34/1349048234.db2.gz IUFIWJOFEWUGSN-VIFPVBQESA-N -1 1 338.799 2.447 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(N2CCCC2)c1 ZINC001589985675 1349093522 /nfs/dbraw/zinc/09/35/22/1349093522.db2.gz PSRXJXYWKZECRR-CYBMUJFWSA-N -1 1 335.415 2.457 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(N2CCCC2)c1 ZINC001589985675 1349093530 /nfs/dbraw/zinc/09/35/30/1349093530.db2.gz PSRXJXYWKZECRR-CYBMUJFWSA-N -1 1 335.415 2.457 20 0 EEADMM C[C@H](O)CCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC001589998675 1349101447 /nfs/dbraw/zinc/10/14/47/1349101447.db2.gz LLQUSMKBDCNBEU-NSHDSACASA-N -1 1 326.360 2.237 20 0 EEADMM CC1(C)C[C@@H](Sc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001590084574 1349145817 /nfs/dbraw/zinc/14/58/17/1349145817.db2.gz FWMJEEXBPSNPET-SECBINFHSA-N -1 1 328.401 2.470 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590356356 1349281208 /nfs/dbraw/zinc/28/12/08/1349281208.db2.gz YQJPBOCJZPGVES-ZZKXABKFSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590356356 1349281212 /nfs/dbraw/zinc/28/12/12/1349281212.db2.gz YQJPBOCJZPGVES-ZZKXABKFSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590401266 1349304100 /nfs/dbraw/zinc/30/41/00/1349304100.db2.gz FDXYTHCOFGSJJN-WDEREUQCSA-N -1 1 339.421 2.049 20 0 EEADMM CC[C@H](C)CC(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001590404737 1349305370 /nfs/dbraw/zinc/30/53/70/1349305370.db2.gz YOIWNIZDWKWCHK-PORFMDCZSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@H](CNc1cc(-c2nnn[n-]2)nc(C)n1)Oc1cccc(F)c1 ZINC001590445662 1349326798 /nfs/dbraw/zinc/32/67/98/1349326798.db2.gz HUFMMCYJYFFFFB-GFCCVEGCSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@H](CNc1cc(-c2nn[n-]n2)nc(C)n1)Oc1cccc(F)c1 ZINC001590445662 1349326805 /nfs/dbraw/zinc/32/68/05/1349326805.db2.gz HUFMMCYJYFFFFB-GFCCVEGCSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590479102 1349350898 /nfs/dbraw/zinc/35/08/98/1349350898.db2.gz MPQXJIDNOIEGAN-SNVBAGLBSA-N -1 1 336.421 2.308 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590479102 1349350906 /nfs/dbraw/zinc/35/09/06/1349350906.db2.gz MPQXJIDNOIEGAN-SNVBAGLBSA-N -1 1 336.421 2.308 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590623651 1349379240 /nfs/dbraw/zinc/37/92/40/1349379240.db2.gz JVVJBNCHDCPUSU-GFCCVEGCSA-N -1 1 333.392 2.189 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590623651 1349379244 /nfs/dbraw/zinc/37/92/44/1349379244.db2.gz JVVJBNCHDCPUSU-GFCCVEGCSA-N -1 1 333.392 2.189 20 0 EEADMM CCOC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCCC1 ZINC001590784692 1349399177 /nfs/dbraw/zinc/39/91/77/1349399177.db2.gz YRKYMAFNVSLSBX-UHFFFAOYSA-N -1 1 329.408 2.295 20 0 EEADMM CCOC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCCC1 ZINC001590784692 1349399185 /nfs/dbraw/zinc/39/91/85/1349399185.db2.gz YRKYMAFNVSLSBX-UHFFFAOYSA-N -1 1 329.408 2.295 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2cccc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590917717 1349411678 /nfs/dbraw/zinc/41/16/78/1349411678.db2.gz YXVOIPXFHFUTBJ-JTQLQIEISA-N -1 1 343.366 2.238 20 0 EEADMM CCc1nc(NC[C@H](C)Oc2cccc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590917717 1349411682 /nfs/dbraw/zinc/41/16/82/1349411682.db2.gz YXVOIPXFHFUTBJ-JTQLQIEISA-N -1 1 343.366 2.238 20 0 EEADMM CCc1nc(NCCCOc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590919842 1349411856 /nfs/dbraw/zinc/41/18/56/1349411856.db2.gz XKZWTSQNQXUUEU-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM CCc1nc(NCCCOc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590919842 1349411860 /nfs/dbraw/zinc/41/18/60/1349411860.db2.gz XKZWTSQNQXUUEU-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM CCc1nc(NCCOc2ccc(Cl)cc2)cc(-c2nnn[n-]2)n1 ZINC001590922582 1349412437 /nfs/dbraw/zinc/41/24/37/1349412437.db2.gz OTVSSFIHRHGZFS-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCc1nc(NCCOc2ccc(Cl)cc2)cc(-c2nn[n-]n2)n1 ZINC001590922582 1349412439 /nfs/dbraw/zinc/41/24/39/1349412439.db2.gz OTVSSFIHRHGZFS-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCc1noc(C)c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590934681 1349419957 /nfs/dbraw/zinc/41/99/57/1349419957.db2.gz RTVSPAFFRMFZNR-UHFFFAOYSA-N -1 1 336.359 2.281 20 0 EEADMM CCc1noc(C)c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590934681 1349419961 /nfs/dbraw/zinc/41/99/61/1349419961.db2.gz RTVSPAFFRMFZNR-UHFFFAOYSA-N -1 1 336.359 2.281 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC001590992395 1349428447 /nfs/dbraw/zinc/42/84/47/1349428447.db2.gz LCHPEWGIRRJATE-AWEZNQCLSA-N -1 1 349.354 2.044 20 0 EEADMM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591375698 1349475181 /nfs/dbraw/zinc/47/51/81/1349475181.db2.gz VLVKYQTYIXSYDI-SNVBAGLBSA-N -1 1 342.359 2.159 20 0 EEADMM COc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591653948 1349527444 /nfs/dbraw/zinc/52/74/44/1349527444.db2.gz ZQEKFFIXHSQDJF-UHFFFAOYSA-N -1 1 341.371 2.219 20 0 EEADMM COc1ccccc1CC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591653948 1349527450 /nfs/dbraw/zinc/52/74/50/1349527450.db2.gz ZQEKFFIXHSQDJF-UHFFFAOYSA-N -1 1 341.371 2.219 20 0 EEADMM Clc1sc(NC[C@H]2CSCCS2)nc1-c1nn[n-]n1 ZINC001592543429 1349654913 /nfs/dbraw/zinc/65/49/13/1349654913.db2.gz NSMUQHWBXMYJHG-YFKPBYRVSA-N -1 1 334.883 2.237 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(Cl)c(Cl)c2)c1-c1nn[n-]n1 ZINC001592332578 1349621893 /nfs/dbraw/zinc/62/18/93/1349621893.db2.gz KGICIWYGBIJMOC-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592425889 1349629104 /nfs/dbraw/zinc/62/91/04/1349629104.db2.gz RDXXXIKZBUTDFE-UHFFFAOYSA-N -1 1 346.398 2.098 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592425889 1349629116 /nfs/dbraw/zinc/62/91/16/1349629116.db2.gz RDXXXIKZBUTDFE-UHFFFAOYSA-N -1 1 346.398 2.098 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)/C=C/Cl)c1-c1nnn[n-]1 ZINC001592479752 1349635268 /nfs/dbraw/zinc/63/52/68/1349635268.db2.gz DYQIWJSEBWUDNA-SNAWJCMRSA-N -1 1 327.801 2.284 20 0 EEADMM Cc1nsc(NC(=O)NC(C)(C)/C=C/Cl)c1-c1nn[n-]n1 ZINC001592479752 1349635271 /nfs/dbraw/zinc/63/52/71/1349635271.db2.gz DYQIWJSEBWUDNA-SNAWJCMRSA-N -1 1 327.801 2.284 20 0 EEADMM Cc1nsc(NC(=O)N[C@H](C)Cc2ccsc2)c1-c1nnn[n-]1 ZINC001592480094 1349635631 /nfs/dbraw/zinc/63/56/31/1349635631.db2.gz IQWJVDDBESNVPN-SSDOTTSWSA-N -1 1 349.445 2.446 20 0 EEADMM Cc1nsc(NC(=O)N[C@H](C)Cc2ccsc2)c1-c1nn[n-]n1 ZINC001592480094 1349635635 /nfs/dbraw/zinc/63/56/35/1349635635.db2.gz IQWJVDDBESNVPN-SSDOTTSWSA-N -1 1 349.445 2.446 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC001592479819 1349635907 /nfs/dbraw/zinc/63/59/07/1349635907.db2.gz QIURQUSAKBSXGM-SNVBAGLBSA-N -1 1 342.384 2.136 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC001592479819 1349635909 /nfs/dbraw/zinc/63/59/09/1349635909.db2.gz QIURQUSAKBSXGM-SNVBAGLBSA-N -1 1 342.384 2.136 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C(C)C)C(F)(F)F)c1-c1nnn[n-]1 ZINC001592483528 1349636461 /nfs/dbraw/zinc/63/64/61/1349636461.db2.gz MZCRZJQVHQCTER-ZETCQYMHSA-N -1 1 349.342 2.340 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C(C)C)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592483528 1349636464 /nfs/dbraw/zinc/63/64/64/1349636464.db2.gz MZCRZJQVHQCTER-ZETCQYMHSA-N -1 1 349.342 2.340 20 0 EEADMM Cc1nsc(NC(=O)NCCSCC(C)C)c1-c1nnn[n-]1 ZINC001592484140 1349636512 /nfs/dbraw/zinc/63/65/12/1349636512.db2.gz XWNUSNQLEBEFSE-UHFFFAOYSA-N -1 1 341.466 2.142 20 0 EEADMM Cc1nsc(NC(=O)NCCSCC(C)C)c1-c1nn[n-]n1 ZINC001592484140 1349636515 /nfs/dbraw/zinc/63/65/15/1349636515.db2.gz XWNUSNQLEBEFSE-UHFFFAOYSA-N -1 1 341.466 2.142 20 0 EEADMM Cc1nsc(NC(=O)NCCCc2cccs2)c1-c1nnn[n-]1 ZINC001592484004 1349636913 /nfs/dbraw/zinc/63/69/13/1349636913.db2.gz VTYHBVUNEDPGKT-UHFFFAOYSA-N -1 1 349.445 2.447 20 0 EEADMM Cc1nsc(NC(=O)NCCCc2cccs2)c1-c1nn[n-]n1 ZINC001592484004 1349636915 /nfs/dbraw/zinc/63/69/15/1349636915.db2.gz VTYHBVUNEDPGKT-UHFFFAOYSA-N -1 1 349.445 2.447 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC001592501956 1349638014 /nfs/dbraw/zinc/63/80/14/1349638014.db2.gz YCWHMEUZVFSQTF-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-c2nnco2)cc1 ZINC001592501956 1349638015 /nfs/dbraw/zinc/63/80/15/1349638015.db2.gz YCWHMEUZVFSQTF-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001592502114 1349638063 /nfs/dbraw/zinc/63/80/63/1349638063.db2.gz PSXXQYJGAGBHTR-UHFFFAOYSA-N -1 1 344.278 2.496 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001592502114 1349638064 /nfs/dbraw/zinc/63/80/64/1349638064.db2.gz PSXXQYJGAGBHTR-UHFFFAOYSA-N -1 1 344.278 2.496 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCCC23CCCC3)c1-c1nnn[n-]1 ZINC001592517039 1349644449 /nfs/dbraw/zinc/64/44/49/1349644449.db2.gz FLLJGIKCEZSHNX-CYBMUJFWSA-N -1 1 344.419 2.325 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCCC23CCCC3)c1-c1nn[n-]n1 ZINC001592517039 1349644450 /nfs/dbraw/zinc/64/44/50/1349644450.db2.gz FLLJGIKCEZSHNX-CYBMUJFWSA-N -1 1 344.419 2.325 20 0 EEADMM Cc1onc(Cc2nnc(-c3ccc(Cl)cc3)o2)c1-c1nnn[n-]1 ZINC001592516617 1349644504 /nfs/dbraw/zinc/64/45/04/1349644504.db2.gz BPUUSXVQZBHMEY-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM Cc1onc(Cc2nnc(-c3ccc(Cl)cc3)o2)c1-c1nn[n-]n1 ZINC001592516617 1349644505 /nfs/dbraw/zinc/64/45/05/1349644505.db2.gz BPUUSXVQZBHMEY-UHFFFAOYSA-N -1 1 343.734 2.457 20 0 EEADMM Clc1cccc(CC2(Nc3cc(-c4nnn[n-]4)ncn3)CC2)c1 ZINC001592533864 1349650050 /nfs/dbraw/zinc/65/00/50/1349650050.db2.gz AHAYKEKPERJPJO-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Clc1cccc(CC2(Nc3cc(-c4nn[n-]n4)ncn3)CC2)c1 ZINC001592533864 1349650052 /nfs/dbraw/zinc/65/00/52/1349650052.db2.gz AHAYKEKPERJPJO-UHFFFAOYSA-N -1 1 327.779 2.497 20 0 EEADMM Cn1nc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)c2ccccc21 ZINC001592594932 1349664950 /nfs/dbraw/zinc/66/49/50/1349664950.db2.gz AVUYBHQOXJTLBE-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM Cn1nc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)c2ccccc21 ZINC001592594932 1349664953 /nfs/dbraw/zinc/66/49/53/1349664953.db2.gz AVUYBHQOXJTLBE-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC12CCC2 ZINC001592614822 1349671656 /nfs/dbraw/zinc/67/16/56/1349671656.db2.gz ANOMEKAXEHEOGE-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC12CCC2 ZINC001592614822 1349671660 /nfs/dbraw/zinc/67/16/60/1349671660.db2.gz ANOMEKAXEHEOGE-SNVBAGLBSA-N -1 1 339.325 2.216 20 0 EEADMM Fc1ccc(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1F ZINC001592648463 1349693819 /nfs/dbraw/zinc/69/38/19/1349693819.db2.gz NCXDHAVTWJUJSX-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1F ZINC001592648463 1349693823 /nfs/dbraw/zinc/69/38/23/1349693823.db2.gz NCXDHAVTWJUJSX-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592977227 1349731274 /nfs/dbraw/zinc/73/12/74/1349731274.db2.gz SMILNXHPTXZUGT-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592977227 1349731278 /nfs/dbraw/zinc/73/12/78/1349731278.db2.gz SMILNXHPTXZUGT-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@@H]1CCCC12CCCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976098 1349731479 /nfs/dbraw/zinc/73/14/79/1349731479.db2.gz AOZAZZKIPODDRT-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@@H]1CCCC12CCCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976098 1349731480 /nfs/dbraw/zinc/73/14/80/1349731480.db2.gz AOZAZZKIPODDRT-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCCC[C@H]1C=CCC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001593066763 1349735791 /nfs/dbraw/zinc/73/57/91/1349735791.db2.gz LLDZRPHOACGNER-NSHDSACASA-N -1 1 332.433 2.474 20 0 EEADMM O=C(NCCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC001593078102 1349736922 /nfs/dbraw/zinc/73/69/22/1349736922.db2.gz HOSUYTDMKLNZCL-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NCCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC001593078102 1349736927 /nfs/dbraw/zinc/73/69/27/1349736927.db2.gz HOSUYTDMKLNZCL-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1CCC(C(F)F)CC1 ZINC001593244149 1349748071 /nfs/dbraw/zinc/74/80/71/1349748071.db2.gz MTWCQEBXXSYPHF-UHFFFAOYSA-N -1 1 337.334 2.207 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1CCC(C(F)F)CC1 ZINC001593244149 1349748078 /nfs/dbraw/zinc/74/80/78/1349748078.db2.gz MTWCQEBXXSYPHF-UHFFFAOYSA-N -1 1 337.334 2.207 20 0 EEADMM O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593255404 1349751284 /nfs/dbraw/zinc/75/12/84/1349751284.db2.gz GRIQUJTVGLQKLK-UHFFFAOYSA-N -1 1 339.363 2.286 20 0 EEADMM O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593255404 1349751285 /nfs/dbraw/zinc/75/12/85/1349751285.db2.gz GRIQUJTVGLQKLK-UHFFFAOYSA-N -1 1 339.363 2.286 20 0 EEADMM O=C(Nc1csc(-c2ccncc2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593262443 1349754724 /nfs/dbraw/zinc/75/47/24/1349754724.db2.gz LMZIRJRFLGFPPR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1ccncc1 ZINC001593264836 1349755954 /nfs/dbraw/zinc/75/59/54/1349755954.db2.gz ZKKJWIUQXXJUQU-JGVFFNPUSA-N -1 1 347.791 2.114 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ncoc1C1CC1 ZINC001593268913 1349756524 /nfs/dbraw/zinc/75/65/24/1349756524.db2.gz CTUBCDSCXIBXFX-UHFFFAOYSA-N -1 1 337.752 2.094 20 0 EEADMM O=C(OCC(Cl)(Cl)Cl)c1sccc1-c1nn[n-]n1 ZINC001593283462 1349761892 /nfs/dbraw/zinc/76/18/92/1349761892.db2.gz SHNCIIDVGCYDPB-UHFFFAOYSA-N -1 1 327.580 2.455 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001593298036 1349772167 /nfs/dbraw/zinc/77/21/67/1349772167.db2.gz WVRFVFBRUBWMFJ-WBMJQRKESA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@]1(F)c1ccccc1 ZINC001593298036 1349772170 /nfs/dbraw/zinc/77/21/70/1349772170.db2.gz WVRFVFBRUBWMFJ-WBMJQRKESA-N -1 1 328.303 2.388 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2c(Cl)cccc2C1 ZINC001593338585 1349784543 /nfs/dbraw/zinc/78/45/43/1349784543.db2.gz DYFUTWFBPWTFRL-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2c(Cl)cccc2C1 ZINC001593338585 1349784546 /nfs/dbraw/zinc/78/45/46/1349784546.db2.gz DYFUTWFBPWTFRL-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc(Cl)ccc21 ZINC001593340939 1349785452 /nfs/dbraw/zinc/78/54/52/1349785452.db2.gz PUUNDHYXNYFHTJ-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc(Cl)ccc21 ZINC001593340939 1349785459 /nfs/dbraw/zinc/78/54/59/1349785459.db2.gz PUUNDHYXNYFHTJ-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC2CC1(c1ccccc1)C2 ZINC001593359052 1349789315 /nfs/dbraw/zinc/78/93/15/1349789315.db2.gz UZGULHJCPNBCRV-UHFFFAOYSA-N -1 1 332.367 2.023 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC2CC1(c1ccccc1)C2 ZINC001593359052 1349789320 /nfs/dbraw/zinc/78/93/20/1349789320.db2.gz UZGULHJCPNBCRV-UHFFFAOYSA-N -1 1 332.367 2.023 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(c2ccccc2)CC1 ZINC001593358807 1349789481 /nfs/dbraw/zinc/78/94/81/1349789481.db2.gz PFFRXZHGTONXJG-UHFFFAOYSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(c2ccccc2)CC1 ZINC001593358807 1349789487 /nfs/dbraw/zinc/78/94/87/1349789487.db2.gz PFFRXZHGTONXJG-UHFFFAOYSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCSC[C@@H]1C1CC1 ZINC001593370783 1349791816 /nfs/dbraw/zinc/79/18/16/1349791816.db2.gz IKMHTEHCMGHDBD-LLVKDONJSA-N -1 1 335.458 2.286 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCCCC(=O)C1 ZINC001593393578 1349796362 /nfs/dbraw/zinc/79/63/62/1349796362.db2.gz PMZHCTGAPBXFFB-LLVKDONJSA-N -1 1 329.360 2.050 20 0 EEADMM O=C1CCCc2cc(NCc3nc(-c4nnn[n-]4)cs3)ccc21 ZINC001593395371 1349797345 /nfs/dbraw/zinc/79/73/45/1349797345.db2.gz GHBUWAHWJJGKEZ-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C1CCCc2cc(NCc3nc(-c4nn[n-]n4)cs3)ccc21 ZINC001593395371 1349797347 /nfs/dbraw/zinc/79/73/47/1349797347.db2.gz GHBUWAHWJJGKEZ-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593492800 1349818309 /nfs/dbraw/zinc/81/83/09/1349818309.db2.gz OUEITIDBAYRXHN-IVZWLZJFSA-N -1 1 337.305 2.259 20 0 EEADMM O[C@@H](c1nccn1Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001593509065 1349824781 /nfs/dbraw/zinc/82/47/81/1349824781.db2.gz BZTLZUSIBNHZSH-CQSZACIVSA-N -1 1 338.396 2.255 20 0 EEADMM OC1(CNc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC001593510641 1349825761 /nfs/dbraw/zinc/82/57/61/1349825761.db2.gz CVQGBKNUEGTZLP-UHFFFAOYSA-N -1 1 338.371 2.381 20 0 EEADMM OC1(CNc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC001593510641 1349825763 /nfs/dbraw/zinc/82/57/63/1349825763.db2.gz CVQGBKNUEGTZLP-UHFFFAOYSA-N -1 1 338.371 2.381 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001593543969 1349839388 /nfs/dbraw/zinc/83/93/88/1349839388.db2.gz MJFFEXFPVOSFOC-MNOVXSKESA-N -1 1 329.433 2.008 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001593543969 1349839392 /nfs/dbraw/zinc/83/93/92/1349839392.db2.gz MJFFEXFPVOSFOC-MNOVXSKESA-N -1 1 329.433 2.008 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CSc1nnnn1C1CCCCC1 ZINC001593551965 1349844558 /nfs/dbraw/zinc/84/45/58/1349844558.db2.gz VEDZIEQQYAEWPK-UHFFFAOYSA-N -1 1 332.393 2.244 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CSc1nnnn1C1CCCCC1 ZINC001593551965 1349844563 /nfs/dbraw/zinc/84/45/63/1349844563.db2.gz VEDZIEQQYAEWPK-UHFFFAOYSA-N -1 1 332.393 2.244 20 0 EEADMM c1c2c(oc1-c1ccccc1)CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001593568561 1349853532 /nfs/dbraw/zinc/85/35/32/1349853532.db2.gz PIIMYQZVDUXLHQ-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001593568561 1349853536 /nfs/dbraw/zinc/85/35/36/1349853536.db2.gz PIIMYQZVDUXLHQ-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cc(-c5nnn[n-]5)ncn4)C3)nc2c1 ZINC001593581124 1349862389 /nfs/dbraw/zinc/86/23/89/1349862389.db2.gz AKIDEIASKUTUMB-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cc(-c5nn[n-]n5)ncn4)C3)nc2c1 ZINC001593581124 1349862392 /nfs/dbraw/zinc/86/23/92/1349862392.db2.gz AKIDEIASKUTUMB-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1cncc(C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)c1 ZINC001593587722 1349866197 /nfs/dbraw/zinc/86/61/97/1349866197.db2.gz NSZLKYRQYZKKJC-HNNXBMFYSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)c1 ZINC001593587722 1349866204 /nfs/dbraw/zinc/86/62/04/1349866204.db2.gz NSZLKYRQYZKKJC-HNNXBMFYSA-N -1 1 336.403 2.265 20 0 EEADMM Cc1ccc([C@H](CN2CCOCC2)NCc2occc2C(=O)[O-])cc1 ZINC001600375739 1350033768 /nfs/dbraw/zinc/03/37/68/1350033768.db2.gz RTSAEUWYMTYGGQ-KRWDZBQOSA-N -1 1 344.411 2.449 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001600380374 1350034936 /nfs/dbraw/zinc/03/49/36/1350034936.db2.gz IDWYXJWWWMDPNF-FRRDWIJNSA-N -1 1 344.333 2.106 20 0 EEADMM Cc1ccc(CCC2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)cc1 ZINC001600406056 1350042358 /nfs/dbraw/zinc/04/23/58/1350042358.db2.gz DSXVWSGKFHROGO-OAHLLOKOSA-N -1 1 332.444 2.229 20 0 EEADMM Cc1ccc2nc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)ccc2c1 ZINC001600501993 1350067450 /nfs/dbraw/zinc/06/74/50/1350067450.db2.gz SCTVCWLUNGJTCD-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@H](N)c2ccccc2C)C(=O)[O-])c1 ZINC001600528070 1350073947 /nfs/dbraw/zinc/07/39/47/1350073947.db2.gz SKFCTJJZMLYJSM-SJLPKXTDSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1cccc(CN2CCC(O)(C(=O)[O-])CC2)c1Br ZINC001600532763 1350074853 /nfs/dbraw/zinc/07/48/53/1350074853.db2.gz RYQOYORXRTWCFQ-UHFFFAOYSA-N -1 1 328.206 2.169 20 0 EEADMM Cc1ccccc1[C@@H](N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001600571656 1350086208 /nfs/dbraw/zinc/08/62/08/1350086208.db2.gz OJRHSMGZPSBICP-RHSMWYFYSA-N -1 1 344.386 2.194 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600688335 1350116452 /nfs/dbraw/zinc/11/64/52/1350116452.db2.gz QCAVNSNLCVRLFJ-ZDUSSCGKSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1nnsc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001600802905 1350140279 /nfs/dbraw/zinc/14/02/79/1350140279.db2.gz OVMDTQHBZVYAMQ-SECBINFHSA-N -1 1 334.401 2.052 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1C(=O)[O-] ZINC001600838450 1350148653 /nfs/dbraw/zinc/14/86/53/1350148653.db2.gz LPWMKXWQTBSXCI-UHFFFAOYSA-N -1 1 339.373 2.002 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(CCC(=O)Nc1cccnc1)C2 ZINC001601276475 1350246798 /nfs/dbraw/zinc/24/67/98/1350246798.db2.gz CTYZAOGJZOZFCM-UHFFFAOYSA-N -1 1 341.367 2.003 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccc(O)cc1 ZINC001601394891 1350273225 /nfs/dbraw/zinc/27/32/25/1350273225.db2.gz CYVIQISLPHYVSA-INIZCTEOSA-N -1 1 344.367 2.137 20 0 EEADMM O=C([O-])CNC(=O)[C@H]1CCCN1CCSc1ccc(Cl)cc1 ZINC001602067757 1350430815 /nfs/dbraw/zinc/43/08/15/1350430815.db2.gz KXRBWJIJYXKHBE-CYBMUJFWSA-N -1 1 342.848 2.097 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccnn2CC2CCC2)cc1 ZINC001602385306 1350507795 /nfs/dbraw/zinc/50/77/95/1350507795.db2.gz DUPOCYQOLNVWHQ-UHFFFAOYSA-N -1 1 335.385 2.182 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN([C@@H]1CCC3(C[C@@H]1F)OCCO3)CC2 ZINC001602421152 1350515530 /nfs/dbraw/zinc/51/55/30/1350515530.db2.gz SJOMHCLNHWCMMD-JKSUJKDBSA-N -1 1 335.375 2.377 20 0 EEADMM O=C([O-])c1cccc(OCCN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001602447607 1350521371 /nfs/dbraw/zinc/52/13/71/1350521371.db2.gz BNALNKNADJWIBX-MRXNPFEDSA-N -1 1 338.367 2.261 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3CCCc4n[nH]cc43)[nH]c21 ZINC001602454153 1350522969 /nfs/dbraw/zinc/52/29/69/1350522969.db2.gz JYBUOBQTZCUIHA-MRVPVSSYSA-N -1 1 325.328 2.043 20 0 EEADMM O=C([O-])C12CCC(CC1)[N@H+]2[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001602629397 1350561385 /nfs/dbraw/zinc/56/13/85/1350561385.db2.gz JJKMJEORLODKLP-KOHRHEQBSA-N -1 1 328.412 2.259 20 0 EEADMM O=C([O-])C12CCC(CC1)N2[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001602629397 1350561387 /nfs/dbraw/zinc/56/13/87/1350561387.db2.gz JJKMJEORLODKLP-KOHRHEQBSA-N -1 1 328.412 2.259 20 0 EEADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC2(COC(=O)N2)CC1 ZINC001602655819 1350567439 /nfs/dbraw/zinc/56/74/39/1350567439.db2.gz KXCYOQDNEQKHFQ-GFCCVEGCSA-N -1 1 342.754 2.179 20 0 EEADMM CC(=O)NCC[C@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001603045364 1350627061 /nfs/dbraw/zinc/62/70/61/1350627061.db2.gz UEWPXZZUWZUIET-CMPLNLGQSA-N -1 1 325.434 2.141 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603104248 1350641237 /nfs/dbraw/zinc/64/12/37/1350641237.db2.gz BFFHPLOUCXJUGJ-LBPRGKRZSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603104248 1350641245 /nfs/dbraw/zinc/64/12/45/1350641245.db2.gz BFFHPLOUCXJUGJ-LBPRGKRZSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603251120 1350672247 /nfs/dbraw/zinc/67/22/47/1350672247.db2.gz BSJURUQLGFHMKN-GXFFZTMASA-N -1 1 335.433 2.109 20 0 EEADMM C[C@@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)N(C)c1ccccc1 ZINC001603547448 1350718652 /nfs/dbraw/zinc/71/86/52/1350718652.db2.gz GXQLABUUJSSARG-NSHDSACASA-N -1 1 342.428 2.183 20 0 EEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccn1 ZINC001603553785 1350719160 /nfs/dbraw/zinc/71/91/60/1350719160.db2.gz ZGTISZGJXLGDLF-NSHDSACASA-N -1 1 332.371 2.421 20 0 EEADMM C[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccn1 ZINC001603553785 1350719161 /nfs/dbraw/zinc/71/91/61/1350719161.db2.gz ZGTISZGJXLGDLF-NSHDSACASA-N -1 1 332.371 2.421 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001603704794 1350746366 /nfs/dbraw/zinc/74/63/66/1350746366.db2.gz JRJCXHSRURJPCP-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001603704794 1350746369 /nfs/dbraw/zinc/74/63/69/1350746369.db2.gz JRJCXHSRURJPCP-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H]1CCCCN1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603896315 1350796928 /nfs/dbraw/zinc/79/69/28/1350796928.db2.gz QEWQUOARRVWOPW-SECBINFHSA-N -1 1 336.346 2.229 20 0 EEADMM C[C@@H]1CCCCN1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603896315 1350796931 /nfs/dbraw/zinc/79/69/31/1350796931.db2.gz QEWQUOARRVWOPW-SECBINFHSA-N -1 1 336.346 2.229 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]12 ZINC001603924799 1350803622 /nfs/dbraw/zinc/80/36/22/1350803622.db2.gz PHAQSMRAXFAENO-QKCSRTOESA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]12 ZINC001603924799 1350803625 /nfs/dbraw/zinc/80/36/25/1350803625.db2.gz PHAQSMRAXFAENO-QKCSRTOESA-N -1 1 327.392 2.304 20 0 EEADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603946149 1350810474 /nfs/dbraw/zinc/81/04/74/1350810474.db2.gz GWFARSYLYMKIFM-POYBYMJQSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603946149 1350810478 /nfs/dbraw/zinc/81/04/78/1350810478.db2.gz GWFARSYLYMKIFM-POYBYMJQSA-N -1 1 348.716 2.071 20 0 EEADMM CCC(C)(C)C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001603982060 1350819369 /nfs/dbraw/zinc/81/93/69/1350819369.db2.gz HPEKHRKRFGRIGP-VOTSOKGWSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](C)CON=c1cc(-c2nn[n-]n2)c(Br)c[nH]1 ZINC001604003561 1350827428 /nfs/dbraw/zinc/82/74/28/1350827428.db2.gz FIVMQEQAMHMGNU-SSDOTTSWSA-N -1 1 327.186 2.414 20 0 EEADMM CC[C@H](C)CON=c1cc(-c2nn[n-]n2)c(Br)c[nH]1 ZINC001604003562 1350827657 /nfs/dbraw/zinc/82/76/57/1350827657.db2.gz FIVMQEQAMHMGNU-ZETCQYMHSA-N -1 1 327.186 2.414 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)on1 ZINC001604027619 1350833470 /nfs/dbraw/zinc/83/34/70/1350833470.db2.gz IWEBWXJGJRSALP-UHFFFAOYSA-N -1 1 330.348 2.281 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)on1 ZINC001604027619 1350833473 /nfs/dbraw/zinc/83/34/73/1350833473.db2.gz IWEBWXJGJRSALP-UHFFFAOYSA-N -1 1 330.348 2.281 20 0 EEADMM CCCCCC(=O)NCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001604168782 1350881572 /nfs/dbraw/zinc/88/15/72/1350881572.db2.gz IXHAMOFUHNHRGA-UHFFFAOYSA-N -1 1 337.453 2.130 20 0 EEADMM CCN(Cc1ccncc1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604325097 1350915853 /nfs/dbraw/zinc/91/58/53/1350915853.db2.gz OBIZVRHTEKAMJV-UHFFFAOYSA-N -1 1 344.404 2.081 20 0 EEADMM CCN(Cc1ccncc1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604325097 1350915855 /nfs/dbraw/zinc/91/58/55/1350915855.db2.gz OBIZVRHTEKAMJV-UHFFFAOYSA-N -1 1 344.404 2.081 20 0 EEADMM C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC001604327760 1350916769 /nfs/dbraw/zinc/91/67/69/1350916769.db2.gz YILGQRVMLYWIQO-WMLDXEAASA-N -1 1 326.396 2.323 20 0 EEADMM CCOC(=O)[C@H](CC)[C@@H](C)OC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604364225 1350924068 /nfs/dbraw/zinc/92/40/68/1350924068.db2.gz VTXLOHYIAUSNKO-PSASIEDQSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@H](CC)[C@@H](C)OC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604364225 1350924072 /nfs/dbraw/zinc/92/40/72/1350924072.db2.gz VTXLOHYIAUSNKO-PSASIEDQSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)CC(=O)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC001604371388 1350925169 /nfs/dbraw/zinc/92/51/69/1350925169.db2.gz NLXGDFOGWDUAOA-MRVPVSSYSA-N -1 1 338.364 2.009 20 0 EEADMM CCc1cccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)c1 ZINC001604531521 1350956185 /nfs/dbraw/zinc/95/61/85/1350956185.db2.gz PADDRCXYUHGGFW-UHFFFAOYSA-N -1 1 349.394 2.158 20 0 EEADMM CCc1ccccc1Cc1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001604533869 1350956513 /nfs/dbraw/zinc/95/65/13/1350956513.db2.gz XXQFKMSASMWXIF-UHFFFAOYSA-N -1 1 333.355 2.465 20 0 EEADMM CCc1ccccc1Cc1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001604533869 1350956514 /nfs/dbraw/zinc/95/65/14/1350956514.db2.gz XXQFKMSASMWXIF-UHFFFAOYSA-N -1 1 333.355 2.465 20 0 EEADMM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CCN1 ZINC001604539695 1350957805 /nfs/dbraw/zinc/95/78/05/1350957805.db2.gz BMFBJMVKWCMZNX-UHFFFAOYSA-N -1 1 328.372 2.149 20 0 EEADMM CC1(C)CN(Cc2ccccc2)C[C@@H](COC(=O)C2(C(=O)[O-])CC2)O1 ZINC001604545926 1350958812 /nfs/dbraw/zinc/95/88/12/1350958812.db2.gz JEEJOMMXJKFMPJ-HNNXBMFYSA-N -1 1 347.411 2.074 20 0 EEADMM CCc1nc(Oc2ccc(C=O)cc2Cl)cc(-c2nnn[n-]2)n1 ZINC001604571242 1350962794 /nfs/dbraw/zinc/96/27/94/1350962794.db2.gz RRUMKYRAPJVCLW-UHFFFAOYSA-N -1 1 330.735 2.477 20 0 EEADMM CCc1nc(Oc2ccc(C=O)cc2Cl)cc(-c2nn[n-]n2)n1 ZINC001604571242 1350962799 /nfs/dbraw/zinc/96/27/99/1350962799.db2.gz RRUMKYRAPJVCLW-UHFFFAOYSA-N -1 1 330.735 2.477 20 0 EEADMM C[C@H]1CCN(CC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001604751389 1350996939 /nfs/dbraw/zinc/99/69/39/1350996939.db2.gz DLSRBNHUUITBJN-HZMBPMFUSA-N -1 1 344.333 2.289 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1ccc(F)cc1 ZINC001604795609 1351006603 /nfs/dbraw/zinc/00/66/03/1351006603.db2.gz YLYHOHRSUBEDHE-NSHDSACASA-N -1 1 325.409 2.003 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(Br)s1 ZINC001604795112 1351006843 /nfs/dbraw/zinc/00/68/43/1351006843.db2.gz RWRVKOZEWMPWFS-JTQLQIEISA-N -1 1 347.278 2.491 20 0 EEADMM CN(Cc1ccc(Cl)nc1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604809140 1351011504 /nfs/dbraw/zinc/01/15/04/1351011504.db2.gz HVRQXPPMUCSNRV-UHFFFAOYSA-N -1 1 342.794 2.219 20 0 EEADMM CN(Cc1ccc(Cl)nc1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604809140 1351011509 /nfs/dbraw/zinc/01/15/09/1351011509.db2.gz HVRQXPPMUCSNRV-UHFFFAOYSA-N -1 1 342.794 2.219 20 0 EEADMM CN(OCC(F)(F)F)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604826819 1351016359 /nfs/dbraw/zinc/01/63/59/1351016359.db2.gz LRKXBPZSSYYDLK-UHFFFAOYSA-N -1 1 342.203 2.211 20 0 EEADMM CN(OCC(F)(F)F)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604826819 1351016363 /nfs/dbraw/zinc/01/63/63/1351016363.db2.gz LRKXBPZSSYYDLK-UHFFFAOYSA-N -1 1 342.203 2.211 20 0 EEADMM CC[C@](C)(NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001604912710 1351030781 /nfs/dbraw/zinc/03/07/81/1351030781.db2.gz JKFPKGFCEJZLMF-HWPZZCPQSA-N -1 1 328.359 2.327 20 0 EEADMM COC(=O)c1ccc(NCCCC2CCCC2)c(-c2nnn[n-]2)n1 ZINC001604975957 1351043346 /nfs/dbraw/zinc/04/33/46/1351043346.db2.gz YCYJBANPZBGJGC-UHFFFAOYSA-N -1 1 330.392 2.431 20 0 EEADMM COC(=O)c1ccc(NCCCC2CCCC2)c(-c2nn[n-]n2)n1 ZINC001604975957 1351043348 /nfs/dbraw/zinc/04/33/48/1351043348.db2.gz YCYJBANPZBGJGC-UHFFFAOYSA-N -1 1 330.392 2.431 20 0 EEADMM COC(=O)c1cccc(Oc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001604985573 1351045723 /nfs/dbraw/zinc/04/57/23/1351045723.db2.gz VCSIXHMVVRSJIM-UHFFFAOYSA-N -1 1 338.327 2.113 20 0 EEADMM COC(=O)c1cccc(Oc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001604985573 1351045726 /nfs/dbraw/zinc/04/57/26/1351045726.db2.gz VCSIXHMVVRSJIM-UHFFFAOYSA-N -1 1 338.327 2.113 20 0 EEADMM COC(=O)c1coc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001604989843 1351046961 /nfs/dbraw/zinc/04/69/61/1351046961.db2.gz VQNHEUDOKRCKIU-QMMMGPOBSA-N -1 1 346.299 2.066 20 0 EEADMM COC(=O)c1coc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001604989843 1351046966 /nfs/dbraw/zinc/04/69/66/1351046966.db2.gz VQNHEUDOKRCKIU-QMMMGPOBSA-N -1 1 346.299 2.066 20 0 EEADMM CO[C@@H](C)c1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC001605006048 1351050853 /nfs/dbraw/zinc/05/08/53/1351050853.db2.gz UHIUNVYDVKEUNT-VIFPVBQESA-N -1 1 342.359 2.052 20 0 EEADMM CO[C@@H](C)c1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC001605006048 1351050855 /nfs/dbraw/zinc/05/08/55/1351050855.db2.gz UHIUNVYDVKEUNT-VIFPVBQESA-N -1 1 342.359 2.052 20 0 EEADMM COCC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccco1 ZINC001605079076 1351073849 /nfs/dbraw/zinc/07/38/49/1351073849.db2.gz UZJBBGSDMHXEJJ-LLVKDONJSA-N -1 1 341.375 2.317 20 0 EEADMM COCC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccco1 ZINC001605079076 1351073851 /nfs/dbraw/zinc/07/38/51/1351073851.db2.gz UZJBBGSDMHXEJJ-LLVKDONJSA-N -1 1 341.375 2.317 20 0 EEADMM COc1cc(C)c(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1OC ZINC001605203469 1351101701 /nfs/dbraw/zinc/10/17/01/1351101701.db2.gz ORHQSLKDOQHCFH-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cc(C)c(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1OC ZINC001605203469 1351101707 /nfs/dbraw/zinc/10/17/07/1351101707.db2.gz ORHQSLKDOQHCFH-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cccc([C@H](CNc2cc(C)nc(-c3nnn[n-]3)c2)OC)c1 ZINC001605315412 1351133985 /nfs/dbraw/zinc/13/39/85/1351133985.db2.gz RGCTZDFJEUXEDE-INIZCTEOSA-N -1 1 340.387 2.378 20 0 EEADMM COc1cccc([C@H](CNc2cc(C)nc(-c3nn[n-]n3)c2)OC)c1 ZINC001605315412 1351133987 /nfs/dbraw/zinc/13/39/87/1351133987.db2.gz RGCTZDFJEUXEDE-INIZCTEOSA-N -1 1 340.387 2.378 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001605332504 1351138586 /nfs/dbraw/zinc/13/85/86/1351138586.db2.gz ZXGRUCBRNKRTKC-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001605332504 1351138588 /nfs/dbraw/zinc/13/85/88/1351138588.db2.gz ZXGRUCBRNKRTKC-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1OCCNc1ccc(C)nc1-c1nnn[n-]1 ZINC001605335661 1351139162 /nfs/dbraw/zinc/13/91/62/1351139162.db2.gz ZZCAOEJJGRZUTH-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccccc1OCCNc1ccc(C)nc1-c1nn[n-]n1 ZINC001605335661 1351139169 /nfs/dbraw/zinc/13/91/69/1351139169.db2.gz ZZCAOEJJGRZUTH-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001605337207 1351139736 /nfs/dbraw/zinc/13/97/36/1351139736.db2.gz JVZRORXEJYSXTE-PBHICJAKSA-N -1 1 348.443 2.024 20 0 EEADMM CSc1ccc([C@@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605387843 1351151018 /nfs/dbraw/zinc/15/10/18/1351151018.db2.gz UERUFNLWNNBNDO-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccc([C@@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605387843 1351151021 /nfs/dbraw/zinc/15/10/21/1351151021.db2.gz UERUFNLWNNBNDO-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM Cc1c(F)cccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605493876 1351170472 /nfs/dbraw/zinc/17/04/72/1351170472.db2.gz SQRRPDWIKOIAAI-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM CCOC(=O)c1ccc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)[nH]1 ZINC001605571948 1351192916 /nfs/dbraw/zinc/19/29/16/1351192916.db2.gz YRQGTPMOFLDYBS-JTQLQIEISA-N -1 1 349.412 2.336 20 0 EEADMM Cc1cc(NCCN2c3ccccc3C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605735164 1351219687 /nfs/dbraw/zinc/21/96/87/1351219687.db2.gz PLEYDYFMIXRVNJ-ZDUSSCGKSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1cc(NCCN2c3ccccc3C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605735164 1351219690 /nfs/dbraw/zinc/21/96/90/1351219690.db2.gz PLEYDYFMIXRVNJ-ZDUSSCGKSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C)c(Cl)c2F)c1-c1nn[n-]n1 ZINC001605823036 1351228934 /nfs/dbraw/zinc/22/89/34/1351228934.db2.gz AOWPJXJRHBXKSM-UHFFFAOYSA-N -1 1 335.730 2.251 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(Cl)c1Cl ZINC001605823118 1351228999 /nfs/dbraw/zinc/22/89/99/1351228999.db2.gz DURZGPKZGGEZHF-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c(Cl)c1Cl ZINC001605823118 1351229001 /nfs/dbraw/zinc/22/90/01/1351229001.db2.gz DURZGPKZGGEZHF-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001605842672 1351233810 /nfs/dbraw/zinc/23/38/10/1351233810.db2.gz WRRQYTBAHWRTKS-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001605842672 1351233815 /nfs/dbraw/zinc/23/38/15/1351233815.db2.gz WRRQYTBAHWRTKS-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605888612 1351247479 /nfs/dbraw/zinc/24/74/79/1351247479.db2.gz VALRDFDJOKPZTM-JTQLQIEISA-N -1 1 325.328 2.196 20 0 EEADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605888612 1351247482 /nfs/dbraw/zinc/24/74/82/1351247482.db2.gz VALRDFDJOKPZTM-JTQLQIEISA-N -1 1 325.328 2.196 20 0 EEADMM CCc1oc(CNC[C@H](O)C(F)(F)C(F)(F)F)cc1C(=O)[O-] ZINC001605891795 1351248391 /nfs/dbraw/zinc/24/83/91/1351248391.db2.gz IFIQQVPYZGULRM-VIFPVBQESA-N -1 1 331.237 2.188 20 0 EEADMM CN(C)[C@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001606012178 1351263801 /nfs/dbraw/zinc/26/38/01/1351263801.db2.gz MYLFLVIGTJSDCH-OAHLLOKOSA-N -1 1 349.362 2.219 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)CCCc1cccnc1 ZINC001606167912 1351281137 /nfs/dbraw/zinc/28/11/37/1351281137.db2.gz ZUDZOJQLIYXGLO-NSHDSACASA-N -1 1 340.387 2.304 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)CCCc1cccnc1 ZINC001606167912 1351281141 /nfs/dbraw/zinc/28/11/41/1351281141.db2.gz ZUDZOJQLIYXGLO-NSHDSACASA-N -1 1 340.387 2.304 20 0 EEADMM Fc1ccccc1-c1cnc(COc2cnc(-c3nn[n-]n3)nc2)o1 ZINC001606333566 1351294209 /nfs/dbraw/zinc/29/42/09/1351294209.db2.gz XYIZABRUNVBJJK-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC[C@H](C)OCc1ccccc1 ZINC001606386405 1351300095 /nfs/dbraw/zinc/30/00/95/1351300095.db2.gz OGYPOKFJBZAUTK-XIRDDKMYSA-N -1 1 349.427 2.320 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001606412333 1351301653 /nfs/dbraw/zinc/30/16/53/1351301653.db2.gz YTSYGGLSLVFQKX-YGRLFVJLSA-N -1 1 341.791 2.187 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC001606578273 1351325192 /nfs/dbraw/zinc/32/51/92/1351325192.db2.gz WSAHKNATMABDQX-UHFFFAOYSA-N -1 1 345.336 2.362 20 0 EEADMM O=C(Cc1cc(Cl)ccc1Cl)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606591245 1351328310 /nfs/dbraw/zinc/32/83/10/1351328310.db2.gz LRBKDWORDRIYAK-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(NCc1cc(C2CC2)ccc1F)c1ccc(-c2nnn[n-]2)o1 ZINC001606816802 1351360006 /nfs/dbraw/zinc/36/00/06/1351360006.db2.gz UYQVQHSFHIUXAL-UHFFFAOYSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(NCc1cc(C2CC2)ccc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001606816802 1351360007 /nfs/dbraw/zinc/36/00/07/1351360007.db2.gz UYQVQHSFHIUXAL-UHFFFAOYSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001606831463 1351363143 /nfs/dbraw/zinc/36/31/43/1351363143.db2.gz KKFCRKCUGVLVPW-CHWSQXEVSA-N -1 1 343.387 2.487 20 0 EEADMM O=C(NCc1nc2ccccc2s1)c1ccsc1-c1nnn[n-]1 ZINC001606847163 1351366563 /nfs/dbraw/zinc/36/65/63/1351366563.db2.gz MVYHJYLSQAWGBL-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(NCc1nc2ccccc2s1)c1ccsc1-c1nn[n-]n1 ZINC001606847163 1351366566 /nfs/dbraw/zinc/36/65/66/1351366566.db2.gz MVYHJYLSQAWGBL-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2c(o1)CCCC2 ZINC001606897558 1351371452 /nfs/dbraw/zinc/37/14/52/1351371452.db2.gz NVWNUKBZVCCMQM-UHFFFAOYSA-N -1 1 325.328 2.296 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC001606897794 1351371510 /nfs/dbraw/zinc/37/15/10/1351371510.db2.gz RSEDDKHBFNTHGW-CQSZACIVSA-N -1 1 335.367 2.316 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCc2sccc21 ZINC001606952725 1351384051 /nfs/dbraw/zinc/38/40/51/1351384051.db2.gz IXWFBNGNSZPKKK-MRVPVSSYSA-N -1 1 332.414 2.443 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCc2sccc21 ZINC001606952725 1351384055 /nfs/dbraw/zinc/38/40/55/1351384055.db2.gz IXWFBNGNSZPKKK-MRVPVSSYSA-N -1 1 332.414 2.443 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1cnc(NC2CC2)s1 ZINC001606978592 1351390583 /nfs/dbraw/zinc/39/05/83/1351390583.db2.gz CYNYZIVIOYFOOC-UHFFFAOYSA-N -1 1 348.413 2.316 20 0 EEADMM O=C(Oc1ccc(-c2nnco2)cc1)c1csc(-c2nnn[n-]2)c1 ZINC001606988450 1351393927 /nfs/dbraw/zinc/39/39/27/1351393927.db2.gz QSWFSMZRGKZZLK-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(Oc1ccc(-c2nnco2)cc1)c1csc(-c2nn[n-]n2)c1 ZINC001606988450 1351393932 /nfs/dbraw/zinc/39/39/32/1351393932.db2.gz QSWFSMZRGKZZLK-UHFFFAOYSA-N -1 1 340.324 2.197 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCSC12CCCCC2 ZINC001607017587 1351397957 /nfs/dbraw/zinc/39/79/57/1351397957.db2.gz YFBPENFSLPXROK-UHFFFAOYSA-N -1 1 330.417 2.111 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCSC12CCCCC2 ZINC001607017587 1351397959 /nfs/dbraw/zinc/39/79/59/1351397959.db2.gz YFBPENFSLPXROK-UHFFFAOYSA-N -1 1 330.417 2.111 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCOc1cccc2ccccc21 ZINC001607090389 1351413877 /nfs/dbraw/zinc/41/38/77/1351413877.db2.gz ORLFBERCDZCNEM-UHFFFAOYSA-N -1 1 333.351 2.261 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3ncncc3-c3nn[n-]n3)CC1)O2 ZINC001607132566 1351433984 /nfs/dbraw/zinc/43/39/84/1351433984.db2.gz NARDCFRHKBCEAL-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc2cncn2c1 ZINC001607305253 1351469472 /nfs/dbraw/zinc/46/94/72/1351469472.db2.gz DFSOFHYYPWWYNV-UHFFFAOYSA-N -1 1 325.324 2.318 20 0 EEADMM COc1nsc(CNCc2ccnc(N3CCCC3)c2)c1C(=O)[O-] ZINC001607364253 1351483241 /nfs/dbraw/zinc/48/32/41/1351483241.db2.gz OOSYYGLINJJTHR-UHFFFAOYSA-N -1 1 348.428 2.135 20 0 EEADMM COc1ccccc1-c1[nH]nc(NC(=O)c2n[nH]c(C)c2[O-])c1C ZINC001607420628 1351491853 /nfs/dbraw/zinc/49/18/53/1351491853.db2.gz JGXCZTILTVTDSO-UHFFFAOYSA-N -1 1 327.344 2.383 20 0 EEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001607483895 1351501400 /nfs/dbraw/zinc/50/14/00/1351501400.db2.gz ORRBCASBIZFGBB-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@@H]2Cc3cccc(O)c3C2)c(C)c1C(=O)[O-] ZINC001607484815 1351501742 /nfs/dbraw/zinc/50/17/42/1351501742.db2.gz BHISHVWECGPLNZ-DGCLKSJQSA-N -1 1 342.395 2.364 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@]2(CO)CC(C)C)c(C)c1C(=O)[O-] ZINC001607486320 1351502472 /nfs/dbraw/zinc/50/24/72/1351502472.db2.gz QPRTWDBLDKACGE-GOSISDBHSA-N -1 1 336.432 2.385 20 0 EEADMM Cc1[nH]c(SCC(=O)N[C@@H](C)CC(=O)[O-])nc1Cc1ccccc1 ZINC001607499617 1351506254 /nfs/dbraw/zinc/50/62/54/1351506254.db2.gz UMOLYUACPZSVIC-NSHDSACASA-N -1 1 347.440 2.380 20 0 EEADMM Cc1cc(C(=O)N2CCN(C(C)(C)C)CC2)cc(C)c1OCC(=O)[O-] ZINC001607571358 1351517328 /nfs/dbraw/zinc/51/73/28/1351517328.db2.gz AKRUTAVBRRNRAT-UHFFFAOYSA-N -1 1 348.443 2.323 20 0 EEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nccc(C3CC3)n2)c1C ZINC001607595017 1351521322 /nfs/dbraw/zinc/52/13/22/1351521322.db2.gz PHLDJIBRKOBPQS-UHFFFAOYSA-N -1 1 347.396 2.470 20 0 EEADMM Cc1cc(CNC[C@@H](n2cncn2)C(F)(F)F)ccc1C(=O)[O-] ZINC001607649644 1351533104 /nfs/dbraw/zinc/53/31/04/1351533104.db2.gz WCSAVDOFOUQQBI-GFCCVEGCSA-N -1 1 328.294 2.178 20 0 EEADMM Cc1ccc(C)c(OCCCCC(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC001607763968 1351554128 /nfs/dbraw/zinc/55/41/28/1351554128.db2.gz CKPKBPZRAOATSQ-UHFFFAOYSA-N -1 1 348.443 2.081 20 0 EEADMM Cc1cc(CNC(=O)c2c[nH]c3ccc(C)cc3c2=O)oc1C(=O)[O-] ZINC001607833614 1351567892 /nfs/dbraw/zinc/56/78/92/1351567892.db2.gz RGFBRBFYOMSHLL-UHFFFAOYSA-N -1 1 340.335 2.366 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc2c(c1)ncn2C ZINC001608008784 1351603537 /nfs/dbraw/zinc/60/35/37/1351603537.db2.gz RSGJASCBKOIHKK-UHFFFAOYSA-N -1 1 341.415 2.151 20 0 EEADMM O=C(C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)[N-]OCc1ccccc1 ZINC001608328773 1351672344 /nfs/dbraw/zinc/67/23/44/1351672344.db2.gz ZJYSTINLERFBBA-IXDOHACOSA-N -1 1 346.427 2.200 20 0 EEADMM O=C(CN[C@H](C(=O)[O-])C1CCCCC1)Nc1nc2c(s1)CCC2 ZINC001608341452 1351674466 /nfs/dbraw/zinc/67/44/66/1351674466.db2.gz XISBEKOASPVFAL-AWEZNQCLSA-N -1 1 337.445 2.193 20 0 EEADMM CC(C)C[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC(C)C)C1 ZINC001649188174 1352386608 /nfs/dbraw/zinc/38/66/08/1352386608.db2.gz YERLCDHJERXOIV-AWEZNQCLSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)C[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)C1 ZINC001649188174 1352386610 /nfs/dbraw/zinc/38/66/10/1352386610.db2.gz YERLCDHJERXOIV-AWEZNQCLSA-N -1 1 346.483 2.301 20 0 EEADMM NC(=O)[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(F)cc1 ZINC001624738895 1352429346 /nfs/dbraw/zinc/42/93/46/1352429346.db2.gz NJGBDKWZBOPIBR-AWEZNQCLSA-N -1 1 339.326 2.036 20 0 EEADMM CC(C)c1scnc1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001628893072 1352545529 /nfs/dbraw/zinc/54/55/29/1352545529.db2.gz ONZYRGYFPRVXMK-UHFFFAOYSA-N -1 1 345.384 2.098 20 0 EEADMM O=C(COC(=O)c1cncn1-c1ccccc1)c1ccc([O-])cc1O ZINC000057883877 1352735499 /nfs/dbraw/zinc/73/54/99/1352735499.db2.gz JASGQIYHRAUQFE-UHFFFAOYSA-N -1 1 338.319 2.323 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001647224530 1353196429 /nfs/dbraw/zinc/19/64/29/1353196429.db2.gz CQHHHJGBERILPW-SRVKXCTJSA-N -1 1 337.420 2.335 20 0 EEADMM COCc1csc(CN[C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1 ZINC001650013312 1353687967 /nfs/dbraw/zinc/68/79/67/1353687967.db2.gz BAWGWCXUDSDSNI-HOTGVXAUSA-N -1 1 335.425 2.041 20 0 EEADMM CCN(CCNC(=O)[C@@H](C)c1ccccc1)C(=O)c1ncccc1[O-] ZINC001388357489 1387402141 /nfs/dbraw/zinc/40/21/41/1387402141.db2.gz VUHAANCMIGAUKE-AWEZNQCLSA-N -1 1 341.411 2.169 20 0 EEADMM Cc1cocc1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001388543691 1387535621 /nfs/dbraw/zinc/53/56/21/1387535621.db2.gz SUJIQTUWOWVMCK-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM O=C(NCCN(C(=O)C1CCCCC1)C1CC1)c1ncccc1[O-] ZINC001388622942 1387593590 /nfs/dbraw/zinc/59/35/90/1387593590.db2.gz UIAKPLXVMZUICL-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3c([O-])cccc3Cl)CC[C@@H]21 ZINC000794388861 1367719889 /nfs/dbraw/zinc/71/98/89/1367719889.db2.gz BUJAZJYMYIMDME-NEPJUHHUSA-N -1 1 337.807 2.062 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2cc(=O)[n-]c(SC)n2)c(C)c1 ZINC001185745351 1368166830 /nfs/dbraw/zinc/16/68/30/1368166830.db2.gz RAYPVUTWCCJMKF-UHFFFAOYSA-N -1 1 333.369 2.251 20 0 EEADMM Cc1ccc(F)c(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001487920808 1368736382 /nfs/dbraw/zinc/73/63/82/1368736382.db2.gz LEJDNFRKQLEQHU-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccccc1Cl)NC(=O)c1ncccc1[O-] ZINC001487900563 1368737560 /nfs/dbraw/zinc/73/75/60/1368737560.db2.gz BOZWBUAQFRYODX-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ncc(Cl)cn1 ZINC001201766116 1368840551 /nfs/dbraw/zinc/84/05/51/1368840551.db2.gz AQCVVOJJMPDNTQ-UHFFFAOYSA-N -1 1 339.229 2.027 20 0 EEADMM CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001488712523 1369051245 /nfs/dbraw/zinc/05/12/45/1369051245.db2.gz GOCLDQGTBSNHFC-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC1=C(C)C[C@H](C(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)CC1 ZINC000869542966 1369612131 /nfs/dbraw/zinc/61/21/31/1369612131.db2.gz OHLPVLCZQBVCAM-LLVKDONJSA-N -1 1 335.322 2.304 20 0 EEADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)NCC(F)(F)F ZINC000055885278 1369807262 /nfs/dbraw/zinc/80/72/62/1369807262.db2.gz CCKWORBITSPBGN-SECBINFHSA-N -1 1 340.301 2.342 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000928387805 1369871272 /nfs/dbraw/zinc/87/12/72/1369871272.db2.gz RVRBXLGQGTVNFR-YPMHNXCESA-N -1 1 343.383 2.305 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CCC1 ZINC001071952326 1370585244 /nfs/dbraw/zinc/58/52/44/1370585244.db2.gz KSVZQJYOPUSSLS-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc([O-])cc1O ZINC001115819444 1371716674 /nfs/dbraw/zinc/71/66/74/1371716674.db2.gz IWWOQWNNJKYOSG-UHFFFAOYSA-N -1 1 340.287 2.244 20 0 EEADMM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830715033 1372344570 /nfs/dbraw/zinc/34/45/70/1372344570.db2.gz UDZLQBLIVQLZLP-SNVBAGLBSA-N -1 1 329.809 2.117 20 0 EEADMM O=S(=O)([N-][C@@H]1CC12CCOCC2)c1c(Cl)ccnc1Cl ZINC000832318174 1372426884 /nfs/dbraw/zinc/42/68/84/1372426884.db2.gz VHVMLLXVQRDPDY-SECBINFHSA-N -1 1 337.228 2.236 20 0 EEADMM CCc1ncnc2c1CCN(Cc1[nH]c(C)c(C(=O)[O-])c1C)CC2 ZINC001140495349 1372585958 /nfs/dbraw/zinc/58/59/58/1372585958.db2.gz WEYPEWOWKAJVQL-UHFFFAOYSA-N -1 1 328.416 2.283 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]O[C@H](CO)C(C)C ZINC000836899349 1372756152 /nfs/dbraw/zinc/75/61/52/1372756152.db2.gz AYPHVQUVPCRTAD-QGZVFWFLSA-N -1 1 331.416 2.096 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCSC(C)C ZINC001341937764 1372938990 /nfs/dbraw/zinc/93/89/90/1372938990.db2.gz QMJGUFMUYRUSSD-UHFFFAOYSA-N -1 1 325.402 2.393 20 0 EEADMM CSc1nc(C)c(CCC(=O)NCCc2ccc(C)cn2)c(=O)[n-]1 ZINC001361399500 1373286804 /nfs/dbraw/zinc/28/68/04/1373286804.db2.gz QZTAGUICCCVNLS-UHFFFAOYSA-N -1 1 346.456 2.207 20 0 EEADMM NC(=O)CCOc1ccccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001362059833 1373363539 /nfs/dbraw/zinc/36/35/39/1373363539.db2.gz DNAUDINUVAXCGP-UHFFFAOYSA-N -1 1 348.786 2.481 20 0 EEADMM COc1cccc(O[C@H](C)CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001362134623 1373370067 /nfs/dbraw/zinc/37/00/67/1373370067.db2.gz BOCKVYYSCCFVEI-SNVBAGLBSA-N -1 1 349.412 2.110 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001362435916 1373409343 /nfs/dbraw/zinc/40/93/43/1373409343.db2.gz RTECJNSPWCMWKJ-HTQZYQBOSA-N -1 1 339.339 2.370 20 0 EEADMM CSC1(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCC1 ZINC001363119258 1373484695 /nfs/dbraw/zinc/48/46/95/1373484695.db2.gz NBRAIWMUVQDNLG-UWVGGRQHSA-N -1 1 338.395 2.330 20 0 EEADMM NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC001363309944 1373503505 /nfs/dbraw/zinc/50/35/05/1373503505.db2.gz LUWLZIXGIWTLIH-SFHVURJKSA-N -1 1 344.798 2.315 20 0 EEADMM CCC1CCC([N-]S(=O)(=O)c2cc(C)ns2)(C(=O)OC)CC1 ZINC001363967140 1373564715 /nfs/dbraw/zinc/56/47/15/1373564715.db2.gz LMJHKIUOJFCOTL-UHFFFAOYSA-N -1 1 346.474 2.242 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(=O)OC(C)C)c(F)c1 ZINC001365470964 1373723191 /nfs/dbraw/zinc/72/31/91/1373723191.db2.gz SGLQJPGTHICNFB-UHFFFAOYSA-N -1 1 335.372 2.282 20 0 EEADMM CCC[C@@H](CC)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001371437989 1375448126 /nfs/dbraw/zinc/44/81/26/1375448126.db2.gz VBZCVFLOZGFMDI-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CCC(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001371584682 1375515408 /nfs/dbraw/zinc/51/54/08/1375515408.db2.gz DDVKPMWPFTWPRH-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(CC1CCCCCC1)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001374918559 1377181156 /nfs/dbraw/zinc/18/11/56/1377181156.db2.gz SCGGMWBGGPGEML-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001375059707 1377327365 /nfs/dbraw/zinc/32/73/65/1377327365.db2.gz NDBDGRSQJQQLNK-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C)c1 ZINC001375061607 1377330801 /nfs/dbraw/zinc/33/08/01/1377330801.db2.gz WKJMFBBHIOHZKG-CQSZACIVSA-N -1 1 327.384 2.034 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCCCCC1 ZINC001377396184 1379203917 /nfs/dbraw/zinc/20/39/17/1379203917.db2.gz JMNSMLVCGJJQPF-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-] ZINC001390386315 1388617644 /nfs/dbraw/zinc/61/76/44/1388617644.db2.gz WDAPPXYKNDMQQT-YVEFUNNKSA-N -1 1 339.411 2.330 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](CNC/C(Cl)=C/Cl)C(C)(C)C)c1[O-] ZINC001382515031 1382110482 /nfs/dbraw/zinc/11/04/82/1382110482.db2.gz LWYIAKZCUWCKHS-BSKOKIOFSA-N -1 1 349.262 2.477 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390828414 1388805388 /nfs/dbraw/zinc/80/53/88/1388805388.db2.gz PULCKZVKBPXCKV-IBGZPJMESA-N -1 1 347.459 2.484 20 0 EEADMM CCC(CC)CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001384418296 1382940753 /nfs/dbraw/zinc/94/07/53/1382940753.db2.gz MLRGGXIEAJILKV-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)(C)CCC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001385481167 1385610612 /nfs/dbraw/zinc/61/06/12/1385610612.db2.gz OXSRPARYAGVYQY-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(=O)CC1CCC1 ZINC001385986978 1385949157 /nfs/dbraw/zinc/94/91/57/1385949157.db2.gz XNSJDXKOMIGAAM-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCC1CCCC1 ZINC001392895859 1390238088 /nfs/dbraw/zinc/23/80/88/1390238088.db2.gz MFRKKYVZRVJKDA-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CC1(CCC(=O)N[C@@]2(C)CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001394327581 1390670750 /nfs/dbraw/zinc/67/07/50/1390670750.db2.gz SRGHSQFGFVXUAC-SFHVURJKSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001394531035 1390722699 /nfs/dbraw/zinc/72/26/99/1390722699.db2.gz HVLUHCSTIVTIOA-YJYMSZOUSA-N -1 1 345.443 2.192 20 0 EEADMM CCCCC(=O)N1CC2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC001395397414 1390819764 /nfs/dbraw/zinc/81/97/64/1390819764.db2.gz QCPZNKPWQIJBHU-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001417024296 1390912728 /nfs/dbraw/zinc/91/27/28/1390912728.db2.gz USXBHXNNIIMZBM-SCLBCKFNSA-N -1 1 333.432 2.334 20 0 EEADMM CCN(CCNC(=O)[C@H](C)C1CCCC1)C(=O)c1ncccc1[O-] ZINC001398151756 1391750993 /nfs/dbraw/zinc/75/09/93/1391750993.db2.gz RTKBQPLGRYAMFO-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(CC)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001398508481 1393100886 /nfs/dbraw/zinc/10/08/86/1393100886.db2.gz GTSJPGVGIHBGDG-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399130755 1394732790 /nfs/dbraw/zinc/73/27/90/1394732790.db2.gz HQIKFMNOJOVHTA-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(CCC1CC1)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399134954 1394737315 /nfs/dbraw/zinc/73/73/15/1394737315.db2.gz RSESNDRQHAILLL-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM O=C(NCCC1CCN(C(=O)c2ccco2)CC1)c1ncccc1[O-] ZINC001399206314 1394816055 /nfs/dbraw/zinc/81/60/55/1394816055.db2.gz XVHNCPLSWRAMMV-UHFFFAOYSA-N -1 1 343.383 2.053 20 0 EEADMM CCCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001399527974 1395205566 /nfs/dbraw/zinc/20/55/66/1395205566.db2.gz DPMNLODHVDWCRB-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001399992898 1395782310 /nfs/dbraw/zinc/78/23/10/1395782310.db2.gz IFVYSYVEINLPEQ-KGLIPLIRSA-N -1 1 341.411 2.134 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)CCC2CC2)cc1 ZINC001402494505 1398021172 /nfs/dbraw/zinc/02/11/72/1398021172.db2.gz LDRUDWXSJFEBBK-GFCCVEGCSA-N -1 1 343.431 2.168 20 0 EEADMM CCCC[C@@H](CN[C@@H](C)c1nnc(C)o1)NC(=O)c1ncccc1[O-] ZINC001422687541 1400125298 /nfs/dbraw/zinc/12/52/98/1400125298.db2.gz SVCZBVDFSANOKK-AAEUAGOBSA-N -1 1 347.419 2.118 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001423526101 1400621197 /nfs/dbraw/zinc/62/11/97/1400621197.db2.gz CFAJSOWDVLTKIC-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CC(=O)c1cc(NC(=O)N2CCC(c3nn[n-]n3)CC2)ccc1C ZINC001425951288 1401817714 /nfs/dbraw/zinc/81/77/14/1401817714.db2.gz UHTSJUYBZABYQN-UHFFFAOYSA-N -1 1 328.376 2.122 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001429304500 1402942756 /nfs/dbraw/zinc/94/27/56/1402942756.db2.gz UODSNNGMHMNSLT-AWEZNQCLSA-N -1 1 341.411 2.088 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(C)cc1C)NC(=O)c1ncccc1[O-] ZINC001432794565 1403293522 /nfs/dbraw/zinc/29/35/22/1403293522.db2.gz DDQNYJIIBPCEMK-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001432921316 1403326069 /nfs/dbraw/zinc/32/60/69/1403326069.db2.gz QEWIHUAHQJLMBG-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@H](C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576615837 1403591569 /nfs/dbraw/zinc/59/15/69/1403591569.db2.gz JDKAEYUWLUGZTN-ONGXEEELSA-N -1 1 349.464 2.081 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001578422784 1403752500 /nfs/dbraw/zinc/75/25/00/1403752500.db2.gz DJMPOPQUFACKTL-CYBMUJFWSA-N -1 1 326.335 2.282 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001578422784 1403752508 /nfs/dbraw/zinc/75/25/08/1403752508.db2.gz DJMPOPQUFACKTL-CYBMUJFWSA-N -1 1 326.335 2.282 20 0 EEADMM COc1ncc(NC(=O)N[C@H](C)c2cccs2)cc1-c1nn[n-]n1 ZINC001580139062 1403832900 /nfs/dbraw/zinc/83/29/00/1403832900.db2.gz TXBWUERPNIVLKW-MRVPVSSYSA-N -1 1 345.388 2.215 20 0 EEADMM COc1ncc(NC(=O)c2ccc(C(F)F)o2)cc1-c1nn[n-]n1 ZINC001580138234 1403832993 /nfs/dbraw/zinc/83/29/93/1403832993.db2.gz IMQZNBRKTRYUOR-UHFFFAOYSA-N -1 1 336.258 2.053 20 0 EEADMM CSc1ccc(Cl)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001580235513 1403851897 /nfs/dbraw/zinc/85/18/97/1403851897.db2.gz SPNOJHYGKCBSMX-UHFFFAOYSA-N -1 1 335.780 2.217 20 0 EEADMM Cc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)c(Br)c1 ZINC001581202106 1403877025 /nfs/dbraw/zinc/87/70/25/1403877025.db2.gz JAVJJXHOSPQVPA-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM CCOC(=O)[C@@H](CC)N(Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001590752210 1403897406 /nfs/dbraw/zinc/89/74/06/1403897406.db2.gz MBTHJYSWFUDIGP-GFCCVEGCSA-N -1 1 335.433 2.234 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1C ZINC001592128542 1404000996 /nfs/dbraw/zinc/00/09/96/1404000996.db2.gz KGJQRAYDJMRWMA-UHFFFAOYSA-N -1 1 342.790 2.462 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1C ZINC001592128542 1404001001 /nfs/dbraw/zinc/00/10/01/1404001001.db2.gz KGJQRAYDJMRWMA-UHFFFAOYSA-N -1 1 342.790 2.462 20 0 EEADMM Cc1noc([C@H]2CCCN2c2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001592461353 1404698917 /nfs/dbraw/zinc/69/89/17/1404698917.db2.gz SGTQFSUCOHSOEV-ZCFIWIBFSA-N -1 1 338.784 2.010 20 0 EEADMM Cc1noc([C@H]2CCCN2c2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001592461353 1404698938 /nfs/dbraw/zinc/69/89/38/1404698938.db2.gz SGTQFSUCOHSOEV-ZCFIWIBFSA-N -1 1 338.784 2.010 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)Cc1ccccc1F ZINC001592498949 1404703431 /nfs/dbraw/zinc/70/34/31/1404703431.db2.gz HICURTYDWIIAHW-SECBINFHSA-N -1 1 329.335 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)Cc1ccccc1F ZINC001592498949 1404703434 /nfs/dbraw/zinc/70/34/34/1404703434.db2.gz HICURTYDWIIAHW-SECBINFHSA-N -1 1 329.335 2.268 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001592915072 1404729179 /nfs/dbraw/zinc/72/91/79/1404729179.db2.gz DQNXPXYRHXUHDV-HZPDHXFCSA-N -1 1 348.410 2.257 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001592915072 1404729181 /nfs/dbraw/zinc/72/91/81/1404729181.db2.gz DQNXPXYRHXUHDV-HZPDHXFCSA-N -1 1 348.410 2.257 20 0 EEADMM O=C(NCC1CCC(F)CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593028099 1404734862 /nfs/dbraw/zinc/73/48/62/1404734862.db2.gz BANKOECSNNCVCD-UHFFFAOYSA-N -1 1 338.774 2.173 20 0 EEADMM Cc1cc(NC(=O)[C@@H](C)Sc2cccc(F)c2-c2nn[n-]n2)on1 ZINC001605703276 1404750475 /nfs/dbraw/zinc/75/04/75/1404750475.db2.gz BZLWPZJVDOOFHT-MRVPVSSYSA-N -1 1 348.363 2.422 20 0 EEADMM Cc1cc(NC(=O)[C@@H](C)SCc2ccc(-c3nnn[n-]3)o2)on1 ZINC001605703467 1404750558 /nfs/dbraw/zinc/75/05/58/1404750558.db2.gz GWFNQOGMRGHQOW-MRVPVSSYSA-N -1 1 334.361 2.017 20 0 EEADMM Cc1cc(NC(=O)[C@@H](C)SCc2ccc(-c3nn[n-]n3)o2)on1 ZINC001605703467 1404750560 /nfs/dbraw/zinc/75/05/60/1404750560.db2.gz GWFNQOGMRGHQOW-MRVPVSSYSA-N -1 1 334.361 2.017 20 0 EEADMM Clc1ccc(NCc2nc3c(s2)COCC3)nc1-c1nnn[n-]1 ZINC001606193672 1404776416 /nfs/dbraw/zinc/77/64/16/1404776416.db2.gz NJCCKAROLZPQRV-UHFFFAOYSA-N -1 1 349.807 2.056 20 0 EEADMM Clc1ccc(NCc2nc3c(s2)COCC3)nc1-c1nn[n-]n1 ZINC001606193672 1404776423 /nfs/dbraw/zinc/77/64/23/1404776423.db2.gz NJCCKAROLZPQRV-UHFFFAOYSA-N -1 1 349.807 2.056 20 0 EEADMM Fc1ccccc1CN(CC1CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001606336144 1404796445 /nfs/dbraw/zinc/79/64/45/1404796445.db2.gz VDDRZDMGFQVWCK-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM Fc1ccccc1CN(CC1CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001606336144 1404796451 /nfs/dbraw/zinc/79/64/51/1404796451.db2.gz VDDRZDMGFQVWCK-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000080511029 1404895242 /nfs/dbraw/zinc/89/52/42/1404895242.db2.gz AKYVXWPHPNYPHQ-UHFFFAOYSA-N -1 1 338.371 2.035 20 0 EEADMM CN(CC(C)(C)CNC(=O)[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001755990018 1408059624 /nfs/dbraw/zinc/05/96/24/1408059624.db2.gz AZPMQFHMGOJSQJ-CQSZACIVSA-N -1 1 345.443 2.358 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C[C@H]1CC=CCC1 ZINC001756021515 1408084189 /nfs/dbraw/zinc/08/41/89/1408084189.db2.gz RPQTUQHITVOJPY-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM C[C@@H]1C[C@@H]1C(=O)NCCCCCCN(C)C(=O)c1ncccc1[O-] ZINC001757427690 1409710961 /nfs/dbraw/zinc/71/09/61/1409710961.db2.gz IWBWQDAJUUIVRG-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1nn(C(C)(C)C)cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001771650205 1409828828 /nfs/dbraw/zinc/82/88/28/1409828828.db2.gz UADFHMXLZIEBCD-UHFFFAOYSA-N -1 1 332.356 2.397 20 0 EEADMM Cc1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c(O)c1C ZINC000436543629 1409860426 /nfs/dbraw/zinc/86/04/26/1409860426.db2.gz GGLCKLCLAJEQKL-UHFFFAOYSA-N -1 1 339.355 2.353 20 0 EEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2cccnc2N2CCCC2)c1 ZINC000324819354 1409868979 /nfs/dbraw/zinc/86/89/79/1409868979.db2.gz GGHXNNFPAGHSJJ-UHFFFAOYSA-N -1 1 347.396 2.181 20 0 EEADMM Cc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cnn1C1CCCC1 ZINC001771740091 1409938117 /nfs/dbraw/zinc/93/81/17/1409938117.db2.gz GYFCIHYVLCGFEW-UHFFFAOYSA-N -1 1 345.403 2.415 20 0 EEADMM CC(C)c1cnc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)o1 ZINC000864329019 1410460490 /nfs/dbraw/zinc/46/04/90/1410460490.db2.gz PWEIOHYHBBPSBB-GFCCVEGCSA-N -1 1 331.420 2.349 20 0 EEADMM CC1(C)CC[C@@H](OC(=O)c2sccc2[N-]S(C)(=O)=O)C1=O ZINC000840212216 782411200 /nfs/dbraw/zinc/41/12/00/782411200.db2.gz LDFNBPFWKOZQDZ-SECBINFHSA-N -1 1 331.415 2.034 20 0 EEADMM COc1ccc(N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001211624938 761213211 /nfs/dbraw/zinc/21/32/11/761213211.db2.gz XXFMYTPZXBPASW-UHFFFAOYSA-N -1 1 336.369 2.085 20 0 EEADMM CC(C)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060716021 769092884 /nfs/dbraw/zinc/09/28/84/769092884.db2.gz UQHVZCCWKJKTSE-HDJSIYSDSA-N -1 1 333.432 2.238 20 0 EEADMM COc1ccc(N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211658395 769748538 /nfs/dbraw/zinc/74/85/38/769748538.db2.gz MGVJLRWBMVESQT-UHFFFAOYSA-N -1 1 336.369 2.085 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]CC2(Br)CC2)cc1F ZINC000920057207 770533110 /nfs/dbraw/zinc/53/31/10/770533110.db2.gz GNIVGGHKVAZYOD-UHFFFAOYSA-N -1 1 340.189 2.479 20 0 EEADMM CCN(c1cc(C(C)C)ncn1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001089637204 773640474 /nfs/dbraw/zinc/64/04/74/773640474.db2.gz OGZWVMROHXXDIG-CYBMUJFWSA-N -1 1 343.431 2.345 20 0 EEADMM O=C([N-][C@@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1)C(F)F ZINC000939019242 775211972 /nfs/dbraw/zinc/21/19/72/775211972.db2.gz ZTFFJWQXBALKKK-SCSAIBSYSA-N -1 1 344.170 2.046 20 0 EEADMM Cc1occc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981207542 776788680 /nfs/dbraw/zinc/78/86/80/776788680.db2.gz IWCFPKDJQBQDIU-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000939655735 777109790 /nfs/dbraw/zinc/10/97/90/777109790.db2.gz RJUKQPVGZYWSFL-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1nccc(NCC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063272205 790535937 /nfs/dbraw/zinc/53/59/37/790535937.db2.gz KRVKAGZVJVFOSC-CQSZACIVSA-N -1 1 341.415 2.240 20 0 EEADMM Cc1cocc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000981940056 778591598 /nfs/dbraw/zinc/59/15/98/778591598.db2.gz BWIJINNXIDPQGC-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM CO[C@@H]1COCC[C@H]1N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000893835126 780213404 /nfs/dbraw/zinc/21/34/04/780213404.db2.gz JNCRJTOMAJMYKZ-DGCLKSJQSA-N -1 1 344.205 2.031 20 0 EEADMM Cc1ccc(F)cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060861729 790805686 /nfs/dbraw/zinc/80/56/86/790805686.db2.gz NXOGUJRLIPYLNL-GHXNOFRVSA-N -1 1 335.404 2.329 20 0 EEADMM O=C(N[C@H]1CC[C@H](Nc2cncc(Cl)n2)CC1)c1ncccc1[O-] ZINC001063365666 790852587 /nfs/dbraw/zinc/85/25/87/790852587.db2.gz ZRRKUCJGWIXVSH-XYPYZODXSA-N -1 1 347.806 2.384 20 0 EEADMM CCC(NC(CC)CC)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000073139125 783722416 /nfs/dbraw/zinc/72/24/16/783722416.db2.gz SVHZDFGSJAHIRE-SEYXRHQNSA-N -1 1 325.478 2.328 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)c1cccs1 ZINC000945275362 783746179 /nfs/dbraw/zinc/74/61/79/783746179.db2.gz AERRYTFUOXDIJA-VXGBXAGGSA-N -1 1 345.424 2.129 20 0 EEADMM CCCc1ccc(N2C[C@H](C(=O)Nc3c(C)[n-][nH]c3=O)CC2=O)cc1 ZINC000816740427 784231177 /nfs/dbraw/zinc/23/11/77/784231177.db2.gz CBUYJXDVLJMKOU-CYBMUJFWSA-N -1 1 342.399 2.368 20 0 EEADMM O=C(c1cc2cc(F)ccc2s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907475422 784644512 /nfs/dbraw/zinc/64/45/12/784644512.db2.gz JWXPSVJQUNSJQW-JTQLQIEISA-N -1 1 349.416 2.484 20 0 EEADMM CC(C)c1ccccc1OCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475396 784644586 /nfs/dbraw/zinc/64/45/86/784644586.db2.gz JNOKLGAPUYRJRH-CYBMUJFWSA-N -1 1 347.444 2.019 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479546 784685542 /nfs/dbraw/zinc/68/55/42/784685542.db2.gz LFZOCTGOCPTAHJ-FWLQQBITSA-N -1 1 329.429 2.228 20 0 EEADMM O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479356 784686079 /nfs/dbraw/zinc/68/60/79/784686079.db2.gz CPKDVGDUNQAVCJ-YNEHKIRRSA-N -1 1 349.847 2.273 20 0 EEADMM Cc1cc2occ(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)c2cc1C ZINC000907479705 784687650 /nfs/dbraw/zinc/68/76/50/784687650.db2.gz MDBOJWRHIYJADO-CYBMUJFWSA-N -1 1 343.412 2.493 20 0 EEADMM COc1ccc2c(c1)CCN(C(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC000907627564 784759460 /nfs/dbraw/zinc/75/94/60/784759460.db2.gz RSODRLSICPRQNP-UHFFFAOYSA-N -1 1 339.395 2.309 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945757896 784831676 /nfs/dbraw/zinc/83/16/76/784831676.db2.gz VVGJHXTYBGAAOM-UKRRQHHQSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000908371172 785363873 /nfs/dbraw/zinc/36/38/73/785363873.db2.gz NGMSTRIGJZBXNR-CQSZACIVSA-N -1 1 342.399 2.433 20 0 EEADMM CN1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420903 785426547 /nfs/dbraw/zinc/42/65/47/785426547.db2.gz YROQWFDMKUHPGL-CHWSQXEVSA-N -1 1 344.333 2.432 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1NC(=O)C1CCCCC1)c1ncccc1[O-] ZINC000946100553 785502469 /nfs/dbraw/zinc/50/24/69/785502469.db2.gz GVVNSJSMPRHMQW-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM Cc1nc(C[NH2+][C@H]2CCN(C(=O)c3ncccc3O)C[C@@H]2C)oc1C ZINC001036002115 785552498 /nfs/dbraw/zinc/55/24/98/785552498.db2.gz LNWCUEJAEFZEGT-FZMZJTMJSA-N -1 1 344.415 2.032 20 0 EEADMM CC(C)Oc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000908754395 785701613 /nfs/dbraw/zinc/70/16/13/785701613.db2.gz OFGJLVRNQRBCER-GDBMZVCRSA-N -1 1 348.443 2.448 20 0 EEADMM C[C@@H](CN(Cc1ccccc1)C(=O)CCCCc1cn[nH]n1)C(=O)[O-] ZINC000908837928 785769778 /nfs/dbraw/zinc/76/97/78/785769778.db2.gz BLROWJCBFHKNIQ-AWEZNQCLSA-N -1 1 344.415 2.267 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000908895244 785810296 /nfs/dbraw/zinc/81/02/96/785810296.db2.gz BBYQQOZDLOVQIQ-NSHDSACASA-N -1 1 339.273 2.080 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCCc2ccccc21 ZINC000585086241 785824291 /nfs/dbraw/zinc/82/42/91/785824291.db2.gz UAHQAJYICSVAFY-CQSZACIVSA-N -1 1 328.459 2.160 20 0 EEADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000909094615 785992682 /nfs/dbraw/zinc/99/26/82/785992682.db2.gz AQPFVSVSALZCOB-CYBMUJFWSA-N -1 1 339.411 2.152 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000909134099 786053324 /nfs/dbraw/zinc/05/33/24/786053324.db2.gz OVNHEJMNLDDFSO-ABAIWWIYSA-N -1 1 327.384 2.432 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC2(Cc3cccc(F)c3)CCC2)C1 ZINC000909730416 786197450 /nfs/dbraw/zinc/19/74/50/786197450.db2.gz KAPNUPBMAOSUJS-OAHLLOKOSA-N -1 1 348.418 2.204 20 0 EEADMM Cc1ccc(C2(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)CCC2)cc1 ZINC000909871024 786305314 /nfs/dbraw/zinc/30/53/14/786305314.db2.gz LHEOSGMMQQPJSB-OAHLLOKOSA-N -1 1 330.428 2.287 20 0 EEADMM Cc1cccc(C2(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)CCC2)c1 ZINC000909872266 786306565 /nfs/dbraw/zinc/30/65/65/786306565.db2.gz UPBGLKVXDPGBSN-OAHLLOKOSA-N -1 1 330.428 2.287 20 0 EEADMM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909975826 786370529 /nfs/dbraw/zinc/37/05/29/786370529.db2.gz GDCKITRTMUFCFE-LLVKDONJSA-N -1 1 330.356 2.311 20 0 EEADMM Cc1cccc2c1CCC[C@@H]2NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909992376 786388969 /nfs/dbraw/zinc/38/89/69/786388969.db2.gz UUQPYALKRIOEBD-YOEHRIQHSA-N -1 1 330.428 2.285 20 0 EEADMM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000910117639 786475832 /nfs/dbraw/zinc/47/58/32/786475832.db2.gz LKBNOJYLRRVANK-YOEHRIQHSA-N -1 1 334.420 2.036 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc(C(F)F)c2)CC1 ZINC000910171196 786494068 /nfs/dbraw/zinc/49/40/68/786494068.db2.gz UXZWZDXPKKEPEI-LBPRGKRZSA-N -1 1 340.370 2.174 20 0 EEADMM CCCC[C@H](CCC)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821040541 786569863 /nfs/dbraw/zinc/56/98/63/786569863.db2.gz MZVUICVPAVYYOS-NSHDSACASA-N -1 1 334.428 2.328 20 0 EEADMM CCCC[C@H](CCC)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821040541 786569868 /nfs/dbraw/zinc/56/98/68/786569868.db2.gz MZVUICVPAVYYOS-NSHDSACASA-N -1 1 334.428 2.328 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccc(F)c(F)c1F ZINC000821119522 786605804 /nfs/dbraw/zinc/60/58/04/786605804.db2.gz RRAOTEDXXHLWOO-UHFFFAOYSA-N -1 1 328.337 2.022 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCC2(OC)CCC2)c1 ZINC000821107285 786625329 /nfs/dbraw/zinc/62/53/29/786625329.db2.gz AZOBCBPBGBDZJD-JOCHJYFZSA-N -1 1 326.414 2.305 20 0 EEADMM Cc1nc(C2CCN(C(=O)CCc3cnc[nH]3)CC2)sc1C(=O)[O-] ZINC000910353346 786709896 /nfs/dbraw/zinc/70/98/96/786709896.db2.gz BILJPYFJYYVEIF-UHFFFAOYSA-N -1 1 348.428 2.212 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1c1nnc(Cc2ccccc2)s1 ZINC000910453455 786781874 /nfs/dbraw/zinc/78/18/74/786781874.db2.gz ACPPUCPXGCZPQE-CYBMUJFWSA-N -1 1 346.456 2.114 20 0 EEADMM CCc1cc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)n[nH]1 ZINC000910728956 786996642 /nfs/dbraw/zinc/99/66/42/786996642.db2.gz FIPAHVHABMRCCR-NSHDSACASA-N -1 1 334.401 2.413 20 0 EEADMM O=C([O-])[C@H](NC(=O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000911063249 787226082 /nfs/dbraw/zinc/22/60/82/787226082.db2.gz KEQBISKBIAIMAT-CYBMUJFWSA-N -1 1 330.306 2.043 20 0 EEADMM O=C([O-])c1cccc(CC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000911096470 787240395 /nfs/dbraw/zinc/24/03/95/787240395.db2.gz SIIUVVAKFZXTQH-MRXNPFEDSA-N -1 1 342.395 2.474 20 0 EEADMM O=C([O-])CN1CCCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000911218962 787315245 /nfs/dbraw/zinc/31/52/45/787315245.db2.gz XEKPACDXJNFKLV-UHFFFAOYSA-N -1 1 345.424 2.043 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)c1cc(C(=O)[O-])cnc1C)c1ccco1 ZINC000911253736 787352002 /nfs/dbraw/zinc/35/20/02/787352002.db2.gz IXVSKUYEOHHEKB-HNNXBMFYSA-N -1 1 345.399 2.494 20 0 EEADMM C[C@@H](CNC(=O)C(C)(C)CCC(=O)[O-])N1CCc2ccccc2C1 ZINC000911303922 787367141 /nfs/dbraw/zinc/36/71/41/787367141.db2.gz RISSNZNCVDWDCW-AWEZNQCLSA-N -1 1 332.444 2.440 20 0 EEADMM Cc1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCCC2)N2CCCC2)o1 ZINC000911332388 787382567 /nfs/dbraw/zinc/38/25/67/787382567.db2.gz MDNXWHKUOLTNKS-AWEZNQCLSA-N -1 1 334.416 2.486 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CC3(CCC3)c3c2cccc3F)C1 ZINC000911696716 787645329 /nfs/dbraw/zinc/64/53/29/787645329.db2.gz PHIGJPMNWNASBX-ZDUSSCGKSA-N -1 1 346.402 2.391 20 0 EEADMM Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H](C(=O)[O-])C1CCCCCC1)C2 ZINC000911783620 787711964 /nfs/dbraw/zinc/71/19/64/787711964.db2.gz SNFCEGRUABZHAH-BBRMVZONSA-N -1 1 333.432 2.363 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000824024753 788033422 /nfs/dbraw/zinc/03/34/22/788033422.db2.gz NWRXFYHBDOPIJZ-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000824024753 788033432 /nfs/dbraw/zinc/03/34/32/788033432.db2.gz NWRXFYHBDOPIJZ-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM Cc1cccc2nc(NC[C@@H](C)NC(=O)c3ncccc3[O-])oc21 ZINC001107690328 788071128 /nfs/dbraw/zinc/07/11/28/788071128.db2.gz UMBUGEIRGFTIDW-LLVKDONJSA-N -1 1 326.356 2.467 20 0 EEADMM CCc1cc(=O)[n-]c(SCCS(=O)(=O)Nc2ccccc2)n1 ZINC000912330065 788099996 /nfs/dbraw/zinc/09/99/96/788099996.db2.gz DEVNLNOAAQUOAH-UHFFFAOYSA-N -1 1 339.442 2.279 20 0 EEADMM CSc1nc(CNC(=O)[C@@]2(c3ccccc3)CCCO2)cc(=O)[n-]1 ZINC000824611657 788243586 /nfs/dbraw/zinc/24/35/86/788243586.db2.gz QREKISMBXPWRIF-KRWDZBQOSA-N -1 1 345.424 2.226 20 0 EEADMM C[C@H](NC(=O)C1C(C)(C)C1(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005863509 788546583 /nfs/dbraw/zinc/54/65/83/788546583.db2.gz KUZXUQYMIVWVRL-NSHDSACASA-N -1 1 345.443 2.046 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)o1 ZINC000825296996 788555549 /nfs/dbraw/zinc/55/55/49/788555549.db2.gz GKOGXFPMSDDBSA-UHFFFAOYSA-N -1 1 341.367 2.062 20 0 EEADMM Cc1cscc1C(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001005866678 788572905 /nfs/dbraw/zinc/57/29/05/788572905.db2.gz OCZYPNWXYDTZHQ-LLVKDONJSA-N -1 1 345.424 2.048 20 0 EEADMM Cc1csc(C(=O)N2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)c1 ZINC001005952552 788995550 /nfs/dbraw/zinc/99/55/50/788995550.db2.gz QFGFZDUYUMSDHJ-NSHDSACASA-N -1 1 345.424 2.048 20 0 EEADMM CCN(CC)c1nc([O-])c(CC(=O)Nc2ccc(N(C)C)cc2)s1 ZINC000055117314 789065487 /nfs/dbraw/zinc/06/54/87/789065487.db2.gz HHACBQMPOHVKTN-CQSZACIVSA-N -1 1 348.472 2.421 20 0 EEADMM CC(C)c1nccn1CC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000921535142 789073860 /nfs/dbraw/zinc/07/38/60/789073860.db2.gz YULIZWORORZYFO-UHFFFAOYSA-N -1 1 347.362 2.402 20 0 EEADMM CCOC(=O)[C@@H](C)[C@H](OCCCC[P@](=O)([O-])O)C(F)(F)F ZINC001225022830 789817296 /nfs/dbraw/zinc/81/72/96/789817296.db2.gz SIQBGPBQYMVKOU-IUCAKERBSA-N -1 1 336.243 2.091 20 0 EEADMM Cc1cccc(CCCN2CC(NC(=O)c3ncccc3[O-])C2)c1 ZINC001030241782 789865652 /nfs/dbraw/zinc/86/56/52/789865652.db2.gz LSMOPINEWGMYFG-UHFFFAOYSA-N -1 1 325.412 2.142 20 0 EEADMM CC(C)c1nsc(NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821538 806044280 /nfs/dbraw/zinc/04/42/80/806044280.db2.gz IYDHALRUEZQTCT-NSHDSACASA-N -1 1 347.444 2.383 20 0 EEADMM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000171261769 791318756 /nfs/dbraw/zinc/31/87/56/791318756.db2.gz FOUSCWKKUBGMAY-UHFFFAOYSA-N -1 1 330.772 2.191 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1ncc(Cl)cn1 ZINC001063737074 791624444 /nfs/dbraw/zinc/62/44/44/791624444.db2.gz LWHHCXXJSMVGKP-PWSUYJOCSA-N -1 1 347.806 2.193 20 0 EEADMM Cc1ncc(CO)c(C(=O)NCc2cc(Cl)nc(Cl)c2)c1[O-] ZINC001147842620 792000543 /nfs/dbraw/zinc/00/05/43/792000543.db2.gz GCITUKKUOZTZHT-UHFFFAOYSA-N -1 1 342.182 2.220 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(C)oc(=O)c3)cc2)[n-]1 ZINC001148329255 792341177 /nfs/dbraw/zinc/34/11/77/792341177.db2.gz LXVWIAAWXXXSAI-UHFFFAOYSA-N -1 1 325.324 2.313 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCOC[C@@H]3C(C)C)cc2)[n-]1 ZINC001148333114 792342580 /nfs/dbraw/zinc/34/25/80/792342580.db2.gz NSGXWXWSEJVDSL-MRXNPFEDSA-N -1 1 329.400 2.296 20 0 EEADMM Cc1nccc(NC[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064169973 792586568 /nfs/dbraw/zinc/58/65/68/792586568.db2.gz CSWRNDGKZRRLFO-UONOGXRCSA-N -1 1 341.415 2.286 20 0 EEADMM Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)c2ncccc2[O-])no1 ZINC001089164310 793014671 /nfs/dbraw/zinc/01/46/71/793014671.db2.gz PXZVCBDUWAPOML-HNNXBMFYSA-N -1 1 344.415 2.210 20 0 EEADMM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000058119247 793145903 /nfs/dbraw/zinc/14/59/03/793145903.db2.gz BNQIAGPGPCTFGQ-NSHDSACASA-N -1 1 343.836 2.128 20 0 EEADMM CC(C)c1cnc(CN[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000999000477 793680654 /nfs/dbraw/zinc/68/06/54/793680654.db2.gz JRNDFDOZZUIQBX-ZDUSSCGKSA-N -1 1 344.415 2.293 20 0 EEADMM Cc1cc(N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001089271092 793893938 /nfs/dbraw/zinc/89/39/38/793893938.db2.gz HOIPVVJZTZUAAE-GHMZBOCLSA-N -1 1 329.404 2.203 20 0 EEADMM C[C@H](C[C@@H](C)Nc1ccnc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001089273146 793936306 /nfs/dbraw/zinc/93/63/06/793936306.db2.gz VEBUHMDXGODQGK-VXGBXAGGSA-N -1 1 341.415 2.464 20 0 EEADMM Cc1ccc(C)c(SCC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913742156 794200634 /nfs/dbraw/zinc/20/06/34/794200634.db2.gz KNNCJJQHLVKNTC-UHFFFAOYSA-N -1 1 331.445 2.315 20 0 EEADMM CCCC(C)(C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079653871 795055976 /nfs/dbraw/zinc/05/59/76/795055976.db2.gz CKNIKTSJFMWADT-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(C(=O)CC(C)(C)C1CC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079720707 795135198 /nfs/dbraw/zinc/13/51/98/795135198.db2.gz SZNZXDOPZFHANJ-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM CCCc1nsc(NCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296537 795361799 /nfs/dbraw/zinc/36/17/99/795361799.db2.gz VJHLSMLBUUIXDW-JTQLQIEISA-N -1 1 335.433 2.212 20 0 EEADMM C[C@@H](CCNC(=O)c1ccc(Cl)cc1)NC(=O)c1ncccc1[O-] ZINC001078326588 796244747 /nfs/dbraw/zinc/24/47/47/796244747.db2.gz SRVWNIFKOYEZFO-NSHDSACASA-N -1 1 347.802 2.379 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccc(CNC(=O)C(F)F)cc1 ZINC001060547729 796287080 /nfs/dbraw/zinc/28/70/80/796287080.db2.gz XOWZMHPYNXMFSV-JTQLQIEISA-N -1 1 349.337 2.160 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCC[N@H+]1Cc1ccccc1F ZINC000993474421 796725158 /nfs/dbraw/zinc/72/51/58/796725158.db2.gz YOQLCCCWKVFMTL-LRDDRELGSA-N -1 1 344.390 2.104 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2cccnc21 ZINC000921837421 796879199 /nfs/dbraw/zinc/87/91/99/796879199.db2.gz KNWHKWPPKBMQCV-LLVKDONJSA-N -1 1 340.836 2.133 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)cc1C ZINC000032629977 797087217 /nfs/dbraw/zinc/08/72/17/797087217.db2.gz HVQDQZABHVCORK-UHFFFAOYSA-N -1 1 334.397 2.212 20 0 EEADMM CCOC(=O)c1nonc1[N-]c1ccc(C(=O)NCC(C)C)cc1 ZINC001174078105 797692606 /nfs/dbraw/zinc/69/26/06/797692606.db2.gz OLMPFAUJUZPLRE-UHFFFAOYSA-N -1 1 332.360 2.376 20 0 EEADMM CNS(=O)(=O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001174263667 797733672 /nfs/dbraw/zinc/73/36/72/797733672.db2.gz ISWBLJBAAIXFBT-UHFFFAOYSA-N -1 1 346.364 2.150 20 0 EEADMM C/C(=C\C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001002217442 797734500 /nfs/dbraw/zinc/73/45/00/797734500.db2.gz AYYCKSCBDJHQJO-FQNOHDAGSA-N -1 1 343.427 2.207 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ncc(Cl)cc2OC)no1 ZINC001212768012 798004063 /nfs/dbraw/zinc/00/40/63/798004063.db2.gz JMINEIFXLLGELL-UHFFFAOYSA-N -1 1 349.734 2.360 20 0 EEADMM C[S@](=O)c1ccccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001175310583 798071326 /nfs/dbraw/zinc/07/13/26/798071326.db2.gz AMCISSZAONKAAC-FQEVSTJZSA-N -1 1 325.411 2.277 20 0 EEADMM CSc1nc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc(=O)[n-]1 ZINC001176958224 798657497 /nfs/dbraw/zinc/65/74/97/798657497.db2.gz NVZWPBPWYLMMNN-LLVKDONJSA-N -1 1 345.428 2.154 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@]1(C)C=CCC1)C(=O)c1ncccc1[O-] ZINC001002825632 798668015 /nfs/dbraw/zinc/66/80/15/798668015.db2.gz GGOBZCPHJWTEAB-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@]1(CNc2cccc(F)n2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065412481 799024370 /nfs/dbraw/zinc/02/43/70/799024370.db2.gz DEGMNQNPVJMYPT-QGZVFWFLSA-N -1 1 330.363 2.286 20 0 EEADMM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)c(OC)c1F ZINC001212503359 799367932 /nfs/dbraw/zinc/36/79/32/799367932.db2.gz JWIKETQFCKLMEH-UHFFFAOYSA-N -1 1 344.339 2.365 20 0 EEADMM Cc1cnc(C)nc1N[C@@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001065702013 799394517 /nfs/dbraw/zinc/39/45/17/799394517.db2.gz YHXCAWXVVBUNSP-JSGCOSHPSA-N -1 1 341.415 2.157 20 0 EEADMM CSc1nc(NC(=O)Cc2ncccc2C(F)F)cc(=O)[n-]1 ZINC001178434573 799450057 /nfs/dbraw/zinc/45/00/57/799450057.db2.gz UPPRSBWNCIIXRP-UHFFFAOYSA-N -1 1 326.328 2.418 20 0 EEADMM O=C(NCc1ccc(N2CCOCC2)nc1)c1c([O-])cccc1Cl ZINC000144366141 799458289 /nfs/dbraw/zinc/45/82/89/799458289.db2.gz BRWYBECGLXOVLS-UHFFFAOYSA-N -1 1 347.802 2.207 20 0 EEADMM C/C(=C/C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001065926571 799756040 /nfs/dbraw/zinc/75/60/40/799756040.db2.gz ZOXZRCXSEOXZLP-LLNWESEBSA-N -1 1 343.427 2.254 20 0 EEADMM CC/C(C)=C/C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066134741 800080751 /nfs/dbraw/zinc/08/07/51/800080751.db2.gz POJKNTFQBRJZLN-FNDVETGQSA-N -1 1 331.416 2.254 20 0 EEADMM Cc1ccc(Cl)c(CC(=O)NCCCC[P@](=O)([O-])O)c1F ZINC001179977716 800195138 /nfs/dbraw/zinc/19/51/38/800195138.db2.gz FOFLDWRZQXGLNT-UHFFFAOYSA-N -1 1 337.715 2.404 20 0 EEADMM Cc1cccc(OCC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1C ZINC001180497979 800458866 /nfs/dbraw/zinc/45/88/66/800458866.db2.gz CUPVKYYVXJEBFM-UHFFFAOYSA-N -1 1 345.359 2.280 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC001033014454 800791404 /nfs/dbraw/zinc/79/14/04/800791404.db2.gz KYMVIWUUBNFXKF-SWLSCSKDSA-N -1 1 346.406 2.470 20 0 EEADMM CC[C@@]1(C(C)C)C[C@@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001004050391 800859026 /nfs/dbraw/zinc/85/90/26/800859026.db2.gz KGRXKVJZYCRBQK-KUHUBIRLSA-N -1 1 345.443 2.048 20 0 EEADMM C[C@H](C(=O)N(C)C1CCC(NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001004060031 800882577 /nfs/dbraw/zinc/88/25/77/800882577.db2.gz JGJFYYUQEKGDBY-GRTSSRMGSA-N -1 1 345.443 2.333 20 0 EEADMM O=C([N-]Cc1ccc2c(c1)CCO2)C(F)(F)OCC(F)(F)F ZINC001183194783 801507659 /nfs/dbraw/zinc/50/76/59/801507659.db2.gz PQEASIGZHYQKLQ-UHFFFAOYSA-N -1 1 325.233 2.409 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)[C@@H](C)CSC)c1ccccc1N ZINC001183216032 801515803 /nfs/dbraw/zinc/51/58/03/801515803.db2.gz CSSTWYUYBAMJDF-VIFPVBQESA-N -1 1 341.458 2.242 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)[C@@H](C)CSC)c1ccccc1N ZINC001183216032 801515808 /nfs/dbraw/zinc/51/58/08/801515808.db2.gz CSSTWYUYBAMJDF-VIFPVBQESA-N -1 1 341.458 2.242 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2noc(-c3cccc(F)c3)n2)n1 ZINC001183451631 801600716 /nfs/dbraw/zinc/60/07/16/801600716.db2.gz XAQGBILCNSPWKI-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM O=C(Nc1c[nH][nH]c1=O)c1c([O-])cnc2c(Br)cccc21 ZINC001183563734 801648202 /nfs/dbraw/zinc/64/82/02/801648202.db2.gz VZYGJKSMBKUSOR-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM CC(C)=CCN1CC[C@@H]1CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001085923959 801671175 /nfs/dbraw/zinc/67/11/75/801671175.db2.gz LBXMOXZQKGCJCX-GFCCVEGCSA-N -1 1 330.388 2.041 20 0 EEADMM Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(=O)[nH]1 ZINC001184538034 802059129 /nfs/dbraw/zinc/05/91/29/802059129.db2.gz DBUPBINSNNBJBH-UHFFFAOYSA-N -1 1 348.211 2.327 20 0 EEADMM COC(=O)[C@H](CC1CCCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001169164256 803641863 /nfs/dbraw/zinc/64/18/63/803641863.db2.gz GNLURNLHBVZACR-AWEZNQCLSA-N -1 1 330.392 2.186 20 0 EEADMM Nc1nc(CC(=O)c2ccccc2)nn1-c1ccc(Cl)c([O-])c1 ZINC001212591428 803848305 /nfs/dbraw/zinc/84/83/05/803848305.db2.gz MICVQGZRRFUFKI-UHFFFAOYSA-N -1 1 328.759 2.464 20 0 EEADMM CC(C)c1nsc(N(C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001108933946 804703683 /nfs/dbraw/zinc/70/36/83/804703683.db2.gz ZFMIUEZGOFTFDQ-JTQLQIEISA-N -1 1 335.433 2.017 20 0 EEADMM CSc1nc(CNC(=O)c2cnc3ccccc3c2)cc(=O)[n-]1 ZINC001143619823 807021084 /nfs/dbraw/zinc/02/10/84/807021084.db2.gz DRJHZCVLXOSVHE-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(F)cn1 ZINC000787673488 807177239 /nfs/dbraw/zinc/17/72/39/807177239.db2.gz SHNQDYCLXHTDMU-UHFFFAOYSA-N -1 1 338.360 2.339 20 0 EEADMM CC(C)CNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954380 807312479 /nfs/dbraw/zinc/31/24/79/807312479.db2.gz FTXJQTDPPIQWBO-LLVKDONJSA-N -1 1 349.362 2.035 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3csc(-c4ccccn4)n3)ccnc1-2 ZINC000791164498 809097934 /nfs/dbraw/zinc/09/79/34/809097934.db2.gz LXLFQOONWRIYDZ-UHFFFAOYSA-N -1 1 336.380 2.113 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)ccnc1-2 ZINC000791165335 809098616 /nfs/dbraw/zinc/09/86/16/809098616.db2.gz PEMDCHFIUZYAKD-UWVGGRQHSA-N -1 1 328.322 2.362 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3sccc3Br)ccnc1-2 ZINC000791166593 809099698 /nfs/dbraw/zinc/09/96/98/809099698.db2.gz WUUHUKIQIWJCOD-UHFFFAOYSA-N -1 1 337.202 2.418 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc(Cl)nc4ccsc43)c2[nH]1 ZINC001170212789 809815741 /nfs/dbraw/zinc/81/57/41/809815741.db2.gz ATDNTXULMNYNFV-UHFFFAOYSA-N -1 1 335.736 2.117 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)nc(C3CCCC3)n2)[n-]1 ZINC001170226910 809845224 /nfs/dbraw/zinc/84/52/24/809845224.db2.gz BOGLRPSDOWGAJT-UHFFFAOYSA-N -1 1 332.755 2.298 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2cccs2)c1 ZINC000794128706 810680256 /nfs/dbraw/zinc/68/02/56/810680256.db2.gz GECKMLIINHDSMH-QPJJXVBHSA-N -1 1 338.410 2.014 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)N=c3ccnc4n(C)[n-]cc3-4)n[nH]2)o1 ZINC000806491958 811882268 /nfs/dbraw/zinc/88/22/68/811882268.db2.gz YYIOIVPDMCHMNW-UHFFFAOYSA-N -1 1 337.343 2.277 20 0 EEADMM C[C@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(F)cc1 ZINC000806485399 811893829 /nfs/dbraw/zinc/89/38/29/811893829.db2.gz RIIUHUQZHFFSIZ-LLVKDONJSA-N -1 1 327.363 2.406 20 0 EEADMM Cn1ncc(C(=O)[N-]c2nnc(SCc3cccs3)s2)n1 ZINC000806543557 811902178 /nfs/dbraw/zinc/90/21/78/811902178.db2.gz AUJMYDOEOGODRV-UHFFFAOYSA-N -1 1 338.443 2.273 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1F ZINC000825712623 947297720 /nfs/dbraw/zinc/29/77/20/947297720.db2.gz SQYCWIWXPUSTJR-UHFFFAOYSA-N -1 1 330.323 2.046 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1F ZINC000825712623 947297732 /nfs/dbraw/zinc/29/77/32/947297732.db2.gz SQYCWIWXPUSTJR-UHFFFAOYSA-N -1 1 330.323 2.046 20 0 EEADMM COc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCC2)cc1 ZINC000826190355 947581008 /nfs/dbraw/zinc/58/10/08/947581008.db2.gz YJBLKGPXSUPEII-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM COc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCC2)cc1 ZINC000826190355 947581020 /nfs/dbraw/zinc/58/10/20/947581020.db2.gz YJBLKGPXSUPEII-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344282 948003734 /nfs/dbraw/zinc/00/37/34/948003734.db2.gz CGANTEALIXNQDA-NSHDSACASA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344282 948003742 /nfs/dbraw/zinc/00/37/42/948003742.db2.gz CGANTEALIXNQDA-NSHDSACASA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)NCCCCCCC(C)C)c1-c1nnn[n-]1 ZINC000826347569 948056631 /nfs/dbraw/zinc/05/66/31/948056631.db2.gz VPCZSCBCNLDSAJ-UHFFFAOYSA-N -1 1 334.424 2.428 20 0 EEADMM Cc1onc(CC(=O)NCCCCCCC(C)C)c1-c1nn[n-]n1 ZINC000826347569 948056637 /nfs/dbraw/zinc/05/66/37/948056637.db2.gz VPCZSCBCNLDSAJ-UHFFFAOYSA-N -1 1 334.424 2.428 20 0 EEADMM FC(F)(F)[C@@H]1C[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001570923189 948656773 /nfs/dbraw/zinc/65/67/73/948656773.db2.gz VMPIRVKZYFUSDC-JGVFFNPUSA-N -1 1 325.298 2.144 20 0 EEADMM FC(F)(F)[C@@H]1C[C@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001570923189 948656776 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C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000833627509 605109117 /nfs/dbraw/zinc/10/91/17/605109117.db2.gz XBQLMFWNJKBWNR-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H]1C ZINC000833655209 605132723 /nfs/dbraw/zinc/13/27/23/605132723.db2.gz BDUFUACUQHWSCD-UONOGXRCSA-N -1 1 343.427 2.281 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H]1C ZINC000833655209 605132725 /nfs/dbraw/zinc/13/27/25/605132725.db2.gz BDUFUACUQHWSCD-UONOGXRCSA-N -1 1 343.427 2.281 20 0 EEADMM CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833655321 605132830 /nfs/dbraw/zinc/13/28/30/605132830.db2.gz CVUJXXIBAAZMRB-GJZGRUSLSA-N -1 1 348.443 2.322 20 0 EEADMM CCN1C[C@H](C)N(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C[C@@H]1C ZINC000833655321 605132832 /nfs/dbraw/zinc/13/28/32/605132832.db2.gz CVUJXXIBAAZMRB-GJZGRUSLSA-N -1 1 348.443 2.322 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1cccc(F)c1 ZINC000833621871 605155933 /nfs/dbraw/zinc/15/59/33/605155933.db2.gz OLZFNOSCPJFJAS-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1C ZINC000833582983 605507363 /nfs/dbraw/zinc/50/73/63/605507363.db2.gz BCCFKBUWQSPJBT-RKDXNWHRSA-N -1 1 327.331 2.219 20 0 EEADMM COC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821666791 606178938 /nfs/dbraw/zinc/17/89/38/606178938.db2.gz GEIVHQIPWMIWKM-UHFFFAOYSA-N -1 1 344.352 2.242 20 0 EEADMM COC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821666791 606178940 /nfs/dbraw/zinc/17/89/40/606178940.db2.gz GEIVHQIPWMIWKM-UHFFFAOYSA-N -1 1 344.352 2.242 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000821627028 606558667 /nfs/dbraw/zinc/55/86/67/606558667.db2.gz JXNWOPFVGFDKGK-UHFFFAOYSA-N -1 1 326.385 2.025 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000821627028 606558668 /nfs/dbraw/zinc/55/86/68/606558668.db2.gz JXNWOPFVGFDKGK-UHFFFAOYSA-N -1 1 326.385 2.025 20 0 EEADMM CC[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000820987898 606689609 /nfs/dbraw/zinc/68/96/09/606689609.db2.gz BXASPHSELQPSRZ-LBPRGKRZSA-N -1 1 340.387 2.431 20 0 EEADMM CC[C@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000820987898 606689610 /nfs/dbraw/zinc/68/96/10/606689610.db2.gz BXASPHSELQPSRZ-LBPRGKRZSA-N -1 1 340.387 2.431 20 0 EEADMM O=C(Cc1c(F)cccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823074431 606697413 /nfs/dbraw/zinc/69/74/13/606697413.db2.gz RSOKIVKLHPHANV-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM CCO[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000821350745 606735100 /nfs/dbraw/zinc/73/51/00/606735100.db2.gz CGZBBTVYBLFHRB-LBPRGKRZSA-N -1 1 349.439 2.208 20 0 EEADMM CCO[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000821350745 606735101 /nfs/dbraw/zinc/73/51/01/606735101.db2.gz CGZBBTVYBLFHRB-LBPRGKRZSA-N -1 1 349.439 2.208 20 0 EEADMM Cc1ccccc1-c1cnc(Cn2cccc(-c3nn[n-]n3)c2=O)o1 ZINC000822345142 606769559 /nfs/dbraw/zinc/76/95/59/606769559.db2.gz GEDUAADKEJNEJL-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820234583 606823123 /nfs/dbraw/zinc/82/31/23/606823123.db2.gz OMEIDALFGZECHM-JQWIXIFHSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820234583 606823125 /nfs/dbraw/zinc/82/31/25/606823125.db2.gz OMEIDALFGZECHM-JQWIXIFHSA-N -1 1 343.412 2.170 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820957759 606929481 /nfs/dbraw/zinc/92/94/81/606929481.db2.gz PSWRJYHINRNNMQ-STQMWFEESA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820957759 606929482 /nfs/dbraw/zinc/92/94/82/606929482.db2.gz PSWRJYHINRNNMQ-STQMWFEESA-N -1 1 331.376 2.012 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000819946953 607051645 /nfs/dbraw/zinc/05/16/45/607051645.db2.gz YHQGRRCGBLTACA-UHFFFAOYSA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000819946953 607051647 /nfs/dbraw/zinc/05/16/47/607051647.db2.gz YHQGRRCGBLTACA-UHFFFAOYSA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824228330 607866080 /nfs/dbraw/zinc/86/60/80/607866080.db2.gz HMMHSCUGDRWGFA-LLVKDONJSA-N -1 1 335.383 2.278 20 0 EEADMM CC(C)C[C@@H](C)N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824228330 607866081 /nfs/dbraw/zinc/86/60/81/607866081.db2.gz HMMHSCUGDRWGFA-LLVKDONJSA-N -1 1 335.383 2.278 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC000824677480 607967968 /nfs/dbraw/zinc/96/79/68/607967968.db2.gz FJRKBCQMIPCWBU-HNNXBMFYSA-N -1 1 348.769 2.374 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC000824677480 607967969 /nfs/dbraw/zinc/96/79/69/607967969.db2.gz FJRKBCQMIPCWBU-HNNXBMFYSA-N -1 1 348.769 2.374 20 0 EEADMM O=C(C=Cc1ccccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826403536 607997654 /nfs/dbraw/zinc/99/76/54/607997654.db2.gz UZGKMSIHMGHEKH-SOFGYWHQSA-N -1 1 325.303 2.363 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccc(Cl)c1Cl ZINC000826424734 608013634 /nfs/dbraw/zinc/01/36/34/608013634.db2.gz AKTQOKCUPUCSJH-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccc(Cl)c1Cl ZINC000826424734 608013635 /nfs/dbraw/zinc/01/36/35/608013635.db2.gz AKTQOKCUPUCSJH-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM CC(C)Cc1ccc([C@@H](C)C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824280592 608077602 /nfs/dbraw/zinc/07/76/02/608077602.db2.gz PSTUBRLHKZKSPS-LLVKDONJSA-N -1 1 339.403 2.288 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(-n2cccn2)cc1 ZINC000824650875 608425852 /nfs/dbraw/zinc/42/58/52/608425852.db2.gz VKYGEKDYOFPNPR-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(-n2cccn2)cc1 ZINC000824650875 608425853 /nfs/dbraw/zinc/42/58/53/608425853.db2.gz VKYGEKDYOFPNPR-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1C ZINC000825122022 608428715 /nfs/dbraw/zinc/42/87/15/608428715.db2.gz WLDBHZLYIVCBRH-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1C ZINC000825122022 608428717 /nfs/dbraw/zinc/42/87/17/608428717.db2.gz WLDBHZLYIVCBRH-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374213 608429789 /nfs/dbraw/zinc/42/97/89/608429789.db2.gz QHIUMUNPTYWPDQ-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374213 608429791 /nfs/dbraw/zinc/42/97/91/608429791.db2.gz QHIUMUNPTYWPDQ-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM Cc1nc2sccn2c1CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826329649 608675452 /nfs/dbraw/zinc/67/54/52/608675452.db2.gz MCFWKTRGLVSPPZ-UHFFFAOYSA-N -1 1 329.389 2.109 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2c(F)cccc2F)C1 ZINC000969545671 675100160 /nfs/dbraw/zinc/10/01/60/675100160.db2.gz FHRVBRSMIGPEEO-NSHDSACASA-N -1 1 347.365 2.316 20 0 EEADMM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C)C1CCCC1 ZINC001020606994 675255892 /nfs/dbraw/zinc/25/58/92/675255892.db2.gz LMYIEWFHNSIIKG-YDHLFZDLSA-N -1 1 345.443 2.333 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCC[C@H](O)C3CC3)c2)o1 ZINC000890710537 675389764 /nfs/dbraw/zinc/38/97/64/675389764.db2.gz MWQUKURWFGRWKA-HNNXBMFYSA-N -1 1 329.352 2.356 20 0 EEADMM Cc1nc(-c2ccc(NC(=O)Cc3sc(N)nc3[O-])cc2)oc1C ZINC000079680826 675441515 /nfs/dbraw/zinc/44/15/15/675441515.db2.gz CXHXQTMUBNMFMS-LBPRGKRZSA-N -1 1 344.396 2.244 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1OCCc2ccccc21 ZINC000891622450 676730764 /nfs/dbraw/zinc/73/07/64/676730764.db2.gz ONYHKRJSDGSXDH-HNNXBMFYSA-N -1 1 325.368 2.314 20 0 EEADMM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627693 676735605 /nfs/dbraw/zinc/73/56/05/676735605.db2.gz ZSTIZQHSPBKIOS-ZUZCIYMTSA-N -1 1 341.367 2.228 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCC(=O)CC23CCC3)c(=O)[n-]1 ZINC000891835460 676854307 /nfs/dbraw/zinc/85/43/07/676854307.db2.gz XETDSCYYQWIKCN-UHFFFAOYSA-N -1 1 349.456 2.259 20 0 EEADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866853800 677883514 /nfs/dbraw/zinc/88/35/14/677883514.db2.gz CBFUKCBWEMMQJK-JGVFFNPUSA-N -1 1 327.233 2.074 20 0 EEADMM Cc1ccc2c(c1)CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091104301 677901223 /nfs/dbraw/zinc/90/12/23/677901223.db2.gz HQPPXPHDJLMIMV-UHFFFAOYSA-N -1 1 346.408 2.275 20 0 EEADMM C=C(Br)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000051694936 678391709 /nfs/dbraw/zinc/39/17/09/678391709.db2.gz FCIJLMIIBNCGGW-UHFFFAOYSA-N -1 1 340.220 2.185 20 0 EEADMM CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000075081583 678807829 /nfs/dbraw/zinc/80/78/29/678807829.db2.gz ANXKBJUAMIHABF-UHFFFAOYSA-N -1 1 341.364 2.276 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H](C)C(C)C ZINC000984795949 685268608 /nfs/dbraw/zinc/26/86/08/685268608.db2.gz BKLKNNWIEWMJID-MELADBBJSA-N -1 1 333.432 2.189 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909535404 685277179 /nfs/dbraw/zinc/27/71/79/685277179.db2.gz WUSTYKJOASHMAJ-QFBILLFUSA-N -1 1 332.444 2.311 20 0 EEADMM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]CC(F)(F)CO ZINC000935423546 680055591 /nfs/dbraw/zinc/05/55/91/680055591.db2.gz GTEFDMWCQIXTRZ-UHFFFAOYSA-N -1 1 329.677 2.184 20 0 EEADMM COc1ccc(OCC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066650244 681814113 /nfs/dbraw/zinc/81/41/13/681814113.db2.gz HIXLNULJSIBCQI-UHFFFAOYSA-N -1 1 336.417 2.225 20 0 EEADMM CC[C@]1(C(C)C)C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973199225 682296622 /nfs/dbraw/zinc/29/66/22/682296622.db2.gz QRIJWVKIJYQOGV-WFTHSTBKSA-N -1 1 345.443 2.237 20 0 EEADMM CC(C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-])=C1CCC1 ZINC000937396927 682620292 /nfs/dbraw/zinc/62/02/92/682620292.db2.gz BFSNTSBQLYMNQW-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM C=Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)cc1 ZINC000936235273 682683709 /nfs/dbraw/zinc/68/37/09/682683709.db2.gz OPMLFFWMJLIDDO-OAHLLOKOSA-N -1 1 337.379 2.075 20 0 EEADMM Cc1ccoc1C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983466528 682710191 /nfs/dbraw/zinc/71/01/91/682710191.db2.gz BRABPZFGRSXWEH-OLZOCXBDSA-N -1 1 343.383 2.160 20 0 EEADMM Cc1nn(C)c(C)c1CNCc1ncc(Br)cc1[O-] ZINC000892844536 683125535 /nfs/dbraw/zinc/12/55/35/683125535.db2.gz JIOUZQATLROAJS-UHFFFAOYSA-N -1 1 325.210 2.190 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2CCC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983694552 683135290 /nfs/dbraw/zinc/13/52/90/683135290.db2.gz HZHTUJHNFNLMBC-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC000983743112 683237532 /nfs/dbraw/zinc/23/75/32/683237532.db2.gz ZBSIMPLXNOEKNE-RDBSUJKOSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909554403 685647868 /nfs/dbraw/zinc/64/78/68/685647868.db2.gz WCYRHOUBXVBINQ-SIIHOXLZSA-N -1 1 330.428 2.223 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@H]1C[C@H](C)CO1 ZINC000893005756 683533982 /nfs/dbraw/zinc/53/39/82/683533982.db2.gz RRICEARQBGZSJU-XHDPSFHLSA-N -1 1 343.383 2.063 20 0 EEADMM C[C@H](C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984114701 684114862 /nfs/dbraw/zinc/11/48/62/684114862.db2.gz HRGMELJOHYSFIY-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000973938850 684129964 /nfs/dbraw/zinc/12/99/64/684129964.db2.gz QYGWWPLMQZHQHN-OKILXGFUSA-N -1 1 331.416 2.135 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974055659 684265594 /nfs/dbraw/zinc/26/55/94/684265594.db2.gz KGUWEZHACDGILG-MJBXVCDLSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1scc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000974056691 684274813 /nfs/dbraw/zinc/27/48/13/684274813.db2.gz JMXFDYFIAJLGBQ-TXEJJXNPSA-N -1 1 345.424 2.156 20 0 EEADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191835269 684766400 /nfs/dbraw/zinc/76/64/00/684766400.db2.gz USRMMSVRJKVYFJ-MRXNPFEDSA-N -1 1 342.370 2.404 20 0 EEADMM CCC[C@H](NCC(=O)NCCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262270216 685017118 /nfs/dbraw/zinc/01/71/18/685017118.db2.gz IFIWOWFTOSRXSK-LBPRGKRZSA-N -1 1 347.242 2.495 20 0 EEADMM CC(C)C1(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001059516820 686288105 /nfs/dbraw/zinc/28/81/05/686288105.db2.gz VWJJHWOLGBXTAR-AWEZNQCLSA-N -1 1 345.443 2.192 20 0 EEADMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866915972 686424098 /nfs/dbraw/zinc/42/40/98/686424098.db2.gz NQDAAWCUQWCWAG-MNOVXSKESA-N -1 1 328.525 2.003 20 0 EEADMM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001027384067 687835138 /nfs/dbraw/zinc/83/51/38/687835138.db2.gz PBVAHLJLVFLEND-AWEZNQCLSA-N -1 1 344.415 2.129 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC000985994129 688018298 /nfs/dbraw/zinc/01/82/98/688018298.db2.gz MELLCEQUPUMGTM-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM 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O=C(N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000943059768 1192026828 /nfs/dbraw/zinc/02/68/28/1192026828.db2.gz PXQCKZSBJWLPBN-LBPRGKRZSA-N -1 1 345.424 2.273 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)[C@]12C[C@H]1CCCC2)c1ncccc1[O-] ZINC000944274425 1192984736 /nfs/dbraw/zinc/98/47/36/1192984736.db2.gz OCLLHHWZORAVFP-PJIJBLCYSA-N -1 1 343.427 2.088 20 0 EEADMM CC[C@H](CC(=O)N(CC)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001408734622 1180117799 /nfs/dbraw/zinc/11/77/99/1180117799.db2.gz BNVDGHXFCXYALU-CQSZACIVSA-N -1 1 335.448 2.438 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1C=CC=CC=C1 ZINC001408864976 1180810289 /nfs/dbraw/zinc/81/02/89/1180810289.db2.gz QPMCJETZLMWTBP-UHFFFAOYSA-N -1 1 341.411 2.054 20 0 EEADMM CCC[C@H](C)CC(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001408909971 1181804552 /nfs/dbraw/zinc/80/45/52/1181804552.db2.gz FQQNLUNBXWEVFL-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC2(CCN(C3CCCC3)C2=O)CC1 ZINC001268841967 1183759771 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CCC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001413169512 1234461027 /nfs/dbraw/zinc/46/10/27/1234461027.db2.gz JJBLSQHCXVZUKK-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3ccc(C)c(F)c3)C2)c1[O-] ZINC001046239590 1234585764 /nfs/dbraw/zinc/58/57/64/1234585764.db2.gz MIADZMRCMZBPAN-GOSISDBHSA-N -1 1 346.406 2.266 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(Cc2cc(C3CC3)no2)C1 ZINC001046260222 1234604416 /nfs/dbraw/zinc/60/44/16/1234604416.db2.gz XQQZYIIKZFSXPL-GOSISDBHSA-N -1 1 342.399 2.047 20 0 EEADMM CCc1nc(C)cc(N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001046333411 1234676692 /nfs/dbraw/zinc/67/66/92/1234676692.db2.gz FBYGVKFQYPUISA-BETUJISGSA-N -1 1 341.415 2.069 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@@H](C)C3)cc2)cn1 ZINC000800925129 1234819208 /nfs/dbraw/zinc/81/92/08/1234819208.db2.gz DIHHJTAESUOPBY-AWEZNQCLSA-N -1 1 347.440 2.416 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901110995 1235234432 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O=C([O-])[C@H](CC(F)F)NCc1cn2ccc(Br)cc2n1 ZINC000901812617 1236369571 /nfs/dbraw/zinc/36/95/71/1236369571.db2.gz LMEQRGLJKPPNOQ-VIFPVBQESA-N -1 1 348.147 2.295 20 0 EEADMM COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000901865219 1236493095 /nfs/dbraw/zinc/49/30/95/1236493095.db2.gz MPVVGDLGPBVSGP-KRWDZBQOSA-N -1 1 341.379 2.156 20 0 EEADMM Cc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)c(C)c1Br ZINC000901903123 1236590467 /nfs/dbraw/zinc/59/04/67/1236590467.db2.gz JBMWQEGUAKBHPJ-AWEZNQCLSA-N -1 1 328.206 2.087 20 0 EEADMM CCC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1CC ZINC001047818008 1236641097 /nfs/dbraw/zinc/64/10/97/1236641097.db2.gz JAMKWXPGCGKDEH-OAHLLOKOSA-N -1 1 341.411 2.347 20 0 EEADMM O=C([O-])c1csc(CN[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000902256135 1237295467 /nfs/dbraw/zinc/29/54/67/1237295467.db2.gz PXZLOVWIDXXNQX-ZDUSSCGKSA-N -1 1 334.372 2.481 20 0 EEADMM O=C([O-])[C@H](NCc1cnc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000903711011 1241672956 /nfs/dbraw/zinc/67/29/56/1241672956.db2.gz WBUMUZQQNRJZOG-OAHLLOKOSA-N -1 1 330.363 2.131 20 0 EEADMM COCCN(CCC(=O)[O-])[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000903711891 1241674225 /nfs/dbraw/zinc/67/42/25/1241674225.db2.gz OKKNTIDZLMWIEP-GOSISDBHSA-N -1 1 348.443 2.163 20 0 EEADMM O=C(CC1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001001129482 1241692585 /nfs/dbraw/zinc/69/25/85/1241692585.db2.gz QZMHTZNUJAAUSP-KFWWJZLASA-N -1 1 343.427 2.229 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)C1 ZINC001001545260 1242459476 /nfs/dbraw/zinc/45/94/76/1242459476.db2.gz UIUNFOCPTKSAMI-AWEZNQCLSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cccc2nc(CN3CC[C@H](C(=O)[O-])C[C@H]3[C@@H]3CCCO3)cn21 ZINC000903940873 1242606051 /nfs/dbraw/zinc/60/60/51/1242606051.db2.gz KIVHPIQIPNBKTP-XIRDDKMYSA-N -1 1 343.427 2.487 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2ccsc21 ZINC001097765629 1244583027 /nfs/dbraw/zinc/58/30/27/1244583027.db2.gz UPYIFFHEFQIWCY-SECBINFHSA-N -1 1 329.385 2.022 20 0 EEADMM 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Cc1ccc(C(C)C)c(O)c1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001188188385 1279787600 /nfs/dbraw/zinc/78/76/00/1279787600.db2.gz YGHQJANJWMEUHK-UHFFFAOYSA-N -1 1 327.344 2.448 20 0 EEADMM Nc1ncc(-c2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)cn1 ZINC001188437036 1279877532 /nfs/dbraw/zinc/87/75/32/1279877532.db2.gz ULUFYTGPONYJJC-UHFFFAOYSA-N -1 1 349.276 2.115 20 0 EEADMM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)nc1OC ZINC001189780976 1280496662 /nfs/dbraw/zinc/49/66/62/1280496662.db2.gz WAMRNWCYNMZRNX-UHFFFAOYSA-N -1 1 344.339 2.319 20 0 EEADMM O=C(Nc1ncnc2[nH]ccc21)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190257408 1280761476 /nfs/dbraw/zinc/76/14/76/1280761476.db2.gz GQPFGDGAMZQUIZ-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1ccc[nH]c1=S)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190618492 1280960949 /nfs/dbraw/zinc/96/09/49/1280960949.db2.gz FFSRKWXMBCXBBF-UHFFFAOYSA-N -1 1 325.353 2.180 20 0 EEADMM Cc1ccc(CO)cc1NC(=O)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190618676 1280961141 /nfs/dbraw/zinc/96/11/41/1280961141.db2.gz 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COC1(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)CCCCC1 ZINC000357063458 1323392621 /nfs/dbraw/zinc/39/26/21/1323392621.db2.gz ZTUSJOXERWFHLT-UHFFFAOYSA-N -1 1 331.376 2.067 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3c(c2)CCNC3=O)c1 ZINC001210163208 1325184464 /nfs/dbraw/zinc/18/44/64/1325184464.db2.gz XNLIYYQPZUVTIH-UHFFFAOYSA-N -1 1 346.408 2.215 20 0 EEADMM CC[C@@H](CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001210655330 1325370691 /nfs/dbraw/zinc/37/06/91/1325370691.db2.gz VICXNOJUSZBRLC-STQMWFEESA-N -1 1 337.468 2.053 20 0 EEADMM O=C([N-]c1nc2cnccn2n1)c1coc(-c2c(F)cccc2F)n1 ZINC001287864638 1327551350 /nfs/dbraw/zinc/55/13/50/1327551350.db2.gz XQDFIDWPKFQXAH-UHFFFAOYSA-N -1 1 342.265 2.310 20 0 EEADMM O=C([O-])c1csc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001608500312 1351705177 /nfs/dbraw/zinc/70/51/77/1351705177.db2.gz NGPFRRFDVUTUGL-GFCCVEGCSA-N -1 1 343.368 2.476 20 0 EEADMM O=C([O-])c1csc(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001608500313 1351705261 /nfs/dbraw/zinc/70/52/61/1351705261.db2.gz NGPFRRFDVUTUGL-LBPRGKRZSA-N -1 1 343.368 2.476 20 0 EEADMM CC1CC(NS(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001590207448 1349200967 /nfs/dbraw/zinc/20/09/67/1349200967.db2.gz RYSLKLIQVOAHIY-UHFFFAOYSA-N -1 1 349.441 2.158 20 0 EEADMM O=C([O-])[C@@H](c1ccc(C(F)(F)F)cc1)N1CCc2n[nH]nc2C1 ZINC001601688299 1350337573 /nfs/dbraw/zinc/33/75/73/1350337573.db2.gz FHSHJDDMUHZAED-GFCCVEGCSA-N -1 1 326.278 2.008 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@H]1CN1CCn2ncc(Br)c2C1 ZINC001601813815 1350370767 /nfs/dbraw/zinc/37/07/67/1350370767.db2.gz OQOCOUVJSITJIO-QWRGUYRKSA-N -1 1 342.237 2.352 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2c(F)cncc2F)C[C@H]1c1ccc(O)cc1 ZINC001602189190 1350461256 /nfs/dbraw/zinc/46/12/56/1350461256.db2.gz STFLMOXPBASPGS-QWHCGFSZSA-N -1 1 334.322 2.366 20 0 EEADMM O=C([O-])c1cnc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1 ZINC001602520868 1350537744 /nfs/dbraw/zinc/53/77/44/1350537744.db2.gz BIPAHNMROCRAAQ-PELKAZGASA-N -1 1 338.351 2.415 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(CCc2ccccc2Br)CC1 ZINC001608559127 1351715875 /nfs/dbraw/zinc/71/58/75/1351715875.db2.gz YZNKQOLOBFLEAN-AWEZNQCLSA-N -1 1 342.233 2.149 20 0 EEADMM Cc1n[nH]c(C(=O)NCCN(C)[C@@H](C)c2ccc(F)c(F)c2)c1[O-] ZINC001492228062 1331100825 /nfs/dbraw/zinc/10/08/25/1331100825.db2.gz DKXSLRHCTAHGTA-JTQLQIEISA-N -1 1 338.358 2.125 20 0 EEADMM O=C(NCc1nc2c(c(=O)[n-]1)COCC2)Nc1ccc2[nH]ccc2c1 ZINC001310246574 1331666683 /nfs/dbraw/zinc/66/66/83/1331666683.db2.gz QVRQSGKKXQURDF-UHFFFAOYSA-N -1 1 339.355 2.058 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001608731534 1351751085 /nfs/dbraw/zinc/75/10/85/1351751085.db2.gz AMVVYGQCISXRDB-LLVKDONJSA-N -1 1 329.356 2.007 20 0 EEADMM O=C([O-])COc1ccccc1CNCc1ccc2c(=O)cc[nH]c2c1 ZINC001608765749 1351757985 /nfs/dbraw/zinc/75/79/85/1351757985.db2.gz RURQJARXRZTMNA-UHFFFAOYSA-N -1 1 338.363 2.281 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CC2(Cl)Cl)oc1Cl ZINC001608860821 1351780374 /nfs/dbraw/zinc/78/03/74/1351780374.db2.gz AYZSOEXPUDTODT-SCSAIBSYSA-N -1 1 348.591 2.103 20 0 EEADMM O=C([O-])c1cccc(OCc2noc(C34CCCN3CCC4)n2)c1 ZINC001608937726 1351798465 /nfs/dbraw/zinc/79/84/65/1351798465.db2.gz NVGHQCOEKOZDPG-UHFFFAOYSA-N -1 1 329.356 2.432 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCN(C(=O)c3ccc(F)cc3O)C2)s1 ZINC001608969376 1351804717 /nfs/dbraw/zinc/80/47/17/1351804717.db2.gz RTEPFHGHDLXFPQ-MRVPVSSYSA-N -1 1 336.344 2.316 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609077122 1351832486 /nfs/dbraw/zinc/83/24/86/1351832486.db2.gz RCQPURJRIZSSCR-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609077122 1351832491 /nfs/dbraw/zinc/83/24/91/1351832491.db2.gz RCQPURJRIZSSCR-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609093722 1351839804 /nfs/dbraw/zinc/83/98/04/1351839804.db2.gz NEKYTUVNOHPJSF-LLVKDONJSA-N -1 1 339.421 2.049 20 0 EEADMM CC(C)c1ccccc1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609105462 1351844692 /nfs/dbraw/zinc/84/46/92/1351844692.db2.gz DWUWQCHEFWQOAH-UHFFFAOYSA-N -1 1 347.400 2.408 20 0 EEADMM C[C@H](CCCCO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609109559 1351847773 /nfs/dbraw/zinc/84/77/73/1351847773.db2.gz FICHCIDTGUDWFX-MRVPVSSYSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@H](CCCCO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609109559 1351847775 /nfs/dbraw/zinc/84/77/75/1351847775.db2.gz FICHCIDTGUDWFX-MRVPVSSYSA-N -1 1 330.314 2.244 20 0 EEADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccc(N2CCCC2)c1 ZINC001609127040 1351852633 /nfs/dbraw/zinc/85/26/33/1351852633.db2.gz SRMGSUBCIKQQRE-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccc(N2CCCC2)c1 ZINC001609127040 1351852639 /nfs/dbraw/zinc/85/26/39/1351852639.db2.gz SRMGSUBCIKQQRE-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM Cn1nc2ccccc2c1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001324105634 1333610128 /nfs/dbraw/zinc/61/01/28/1333610128.db2.gz AUEPDUBHOIRSHU-UHFFFAOYSA-N -1 1 326.308 2.024 20 0 EEADMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001325210773 1333848205 /nfs/dbraw/zinc/84/82/05/1333848205.db2.gz WZJBPWBRJXNLKW-UHFFFAOYSA-N -1 1 341.260 2.464 20 0 EEADMM C[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)[C@H]1c1cccc(F)c1 ZINC001609169330 1351875221 /nfs/dbraw/zinc/87/52/21/1351875221.db2.gz XISQRELZWVDUKY-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)[C@H]1c1cccc(F)c1 ZINC001609169330 1351875227 /nfs/dbraw/zinc/87/52/27/1351875227.db2.gz XISQRELZWVDUKY-ZUZCIYMTSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc2N(C)C1=O ZINC001609172841 1351876931 /nfs/dbraw/zinc/87/69/31/1351876931.db2.gz ANLJAQVHVLVCMR-LLVKDONJSA-N -1 1 338.371 2.079 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc2N(C)C1=O ZINC001609172841 1351876934 /nfs/dbraw/zinc/87/69/34/1351876934.db2.gz ANLJAQVHVLVCMR-LLVKDONJSA-N -1 1 338.371 2.079 20 0 EEADMM CCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001609204912 1351890271 /nfs/dbraw/zinc/89/02/71/1351890271.db2.gz SEAPMKARJFMICT-SNVBAGLBSA-N -1 1 328.376 2.477 20 0 EEADMM CCC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001609204912 1351890273 /nfs/dbraw/zinc/89/02/73/1351890273.db2.gz SEAPMKARJFMICT-SNVBAGLBSA-N -1 1 328.376 2.477 20 0 EEADMM CCC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)C(=O)OCC ZINC001609205679 1351890365 /nfs/dbraw/zinc/89/03/65/1351890365.db2.gz UPYSNHREEZWAHY-ZETCQYMHSA-N -1 1 344.828 2.368 20 0 EEADMM CCC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)C(=O)OCC ZINC001609205679 1351890369 /nfs/dbraw/zinc/89/03/69/1351890369.db2.gz UPYSNHREEZWAHY-ZETCQYMHSA-N -1 1 344.828 2.368 20 0 EEADMM CCOC1(C)CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001609237813 1351904938 /nfs/dbraw/zinc/90/49/38/1351904938.db2.gz WPJVTOAPASGGLC-UHFFFAOYSA-N -1 1 333.367 2.037 20 0 EEADMM CCOC1(C)CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001609237813 1351904940 /nfs/dbraw/zinc/90/49/40/1351904940.db2.gz WPJVTOAPASGGLC-UHFFFAOYSA-N -1 1 333.367 2.037 20 0 EEADMM CCc1nc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC001609254772 1351911447 /nfs/dbraw/zinc/91/14/47/1351911447.db2.gz ASBNGMOXTKMRKG-UHFFFAOYSA-N -1 1 333.348 2.382 20 0 EEADMM CCc1nc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC001609254772 1351911450 /nfs/dbraw/zinc/91/14/50/1351911450.db2.gz ASBNGMOXTKMRKG-UHFFFAOYSA-N -1 1 333.348 2.382 20 0 EEADMM COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609292754 1351923083 /nfs/dbraw/zinc/92/30/83/1351923083.db2.gz VPLYKSNKRAUJMC-NSHDSACASA-N -1 1 341.371 2.423 20 0 EEADMM COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609292754 1351923086 /nfs/dbraw/zinc/92/30/86/1351923086.db2.gz VPLYKSNKRAUJMC-NSHDSACASA-N -1 1 341.371 2.423 20 0 EEADMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)O1 ZINC001328708224 1334504188 /nfs/dbraw/zinc/50/41/88/1334504188.db2.gz FVSHEJMMQSAVHL-YUMQZZPRSA-N -1 1 325.217 2.234 20 0 EEADMM COC1(CNC(=O)c2cc(-c3nnn[n-]3)oc2C)CCC(C)CC1 ZINC001609311964 1351928513 /nfs/dbraw/zinc/92/85/13/1351928513.db2.gz LDELDUAGAPEIOZ-UHFFFAOYSA-N -1 1 333.392 2.093 20 0 EEADMM COC1(CNC(=O)c2cc(-c3nn[n-]n3)oc2C)CCC(C)CC1 ZINC001609311964 1351928516 /nfs/dbraw/zinc/92/85/16/1351928516.db2.gz LDELDUAGAPEIOZ-UHFFFAOYSA-N -1 1 333.392 2.093 20 0 EEADMM COc1cc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1C ZINC001609340001 1351937670 /nfs/dbraw/zinc/93/76/70/1351937670.db2.gz AFLPTMFPDLLDDI-UHFFFAOYSA-N -1 1 338.371 2.448 20 0 EEADMM COc1cc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1C ZINC001609340001 1351937673 /nfs/dbraw/zinc/93/76/73/1351937673.db2.gz AFLPTMFPDLLDDI-UHFFFAOYSA-N -1 1 338.371 2.448 20 0 EEADMM COc1ccc(OCc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001609358677 1351945617 /nfs/dbraw/zinc/94/56/17/1351945617.db2.gz SDKVEESQQBKLCK-UHFFFAOYSA-N -1 1 340.299 2.097 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(CCC(C)C)n2)c1 ZINC001609386617 1351954631 /nfs/dbraw/zinc/95/46/31/1351954631.db2.gz QUNGRRFUEDCNEC-UHFFFAOYSA-N -1 1 344.444 2.430 20 0 EEADMM Cc1nsc(N(C)CC(=O)Nc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001609425821 1351971778 /nfs/dbraw/zinc/97/17/78/1351971778.db2.gz NMQPIXPUHFWDJR-UHFFFAOYSA-N -1 1 343.416 2.015 20 0 EEADMM Cc1ccccc1OCCN(C)Cc1nc(-c2nnn[n-]2)cs1 ZINC001609436976 1351977073 /nfs/dbraw/zinc/97/70/73/1351977073.db2.gz BBDIFMMLDZPFTD-UHFFFAOYSA-N -1 1 330.417 2.142 20 0 EEADMM Cc1ccccc1OCCN(C)Cc1nc(-c2nn[n-]n2)cs1 ZINC001609436976 1351977075 /nfs/dbraw/zinc/97/70/75/1351977075.db2.gz BBDIFMMLDZPFTD-UHFFFAOYSA-N -1 1 330.417 2.142 20 0 EEADMM Cc1nc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2o1 ZINC001609455076 1351984580 /nfs/dbraw/zinc/98/45/80/1351984580.db2.gz UPQYIPDJSHCIQX-UHFFFAOYSA-N -1 1 336.311 2.274 20 0 EEADMM Cc1nsc(N[C@H]2CCCN(CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001609464818 1351987226 /nfs/dbraw/zinc/98/72/26/1351987226.db2.gz BPAPMMIVCGKMTD-QMMMGPOBSA-N -1 1 347.370 2.070 20 0 EEADMM Cc1nsc(NCc2cc(=O)[nH]c3ccccc23)c1-c1nn[n-]n1 ZINC001609466131 1351987762 /nfs/dbraw/zinc/98/77/62/1351987762.db2.gz FFMGITXLOCYMPU-UHFFFAOYSA-N -1 1 339.384 2.498 20 0 EEADMM Cc1nsc(Nc2cccc(C[S@@](C)=O)c2)c1-c1nn[n-]n1 ZINC001609466356 1351987811 /nfs/dbraw/zinc/98/78/11/1351987811.db2.gz PXKYSTJXOFEYBG-JOCHJYFZSA-N -1 1 334.430 2.254 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COc2c1cccc2Cl ZINC001609467311 1351988639 /nfs/dbraw/zinc/98/86/39/1351988639.db2.gz BETQJLXKGQHNJO-LLVKDONJSA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COc2c1cccc2Cl ZINC001609467311 1351988642 /nfs/dbraw/zinc/98/86/42/1351988642.db2.gz BETQJLXKGQHNJO-LLVKDONJSA-N -1 1 345.746 2.285 20 0 EEADMM Cc1nsc(NCc2ccc3c(c2)OCCCO3)c1-c1nn[n-]n1 ZINC001609466520 1351988739 /nfs/dbraw/zinc/98/87/39/1351988739.db2.gz WJOQIODGCNMBFJ-UHFFFAOYSA-N -1 1 344.400 2.405 20 0 EEADMM Clc1nc(NCCCNc2ccccn2)sc1-c1nnn[n-]1 ZINC001609474476 1351991023 /nfs/dbraw/zinc/99/10/23/1351991023.db2.gz BHUGVMOXGFDLMV-UHFFFAOYSA-N -1 1 336.812 2.286 20 0 EEADMM Clc1nc(NCCCNc2ccccn2)sc1-c1nn[n-]n1 ZINC001609474476 1351991025 /nfs/dbraw/zinc/99/10/25/1351991025.db2.gz BHUGVMOXGFDLMV-UHFFFAOYSA-N -1 1 336.812 2.286 20 0 EEADMM Fc1ccc(C2(CNc3cc(-c4nnn[n-]4)ncn3)CCC2)cc1 ZINC001609490370 1351996085 /nfs/dbraw/zinc/99/60/85/1351996085.db2.gz QWHIRXVGNOVABO-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1ccc(C2(CNc3cc(-c4nn[n-]n4)ncn3)CCC2)cc1 ZINC001609490370 1351996087 /nfs/dbraw/zinc/99/60/87/1351996087.db2.gz QWHIRXVGNOVABO-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nnn[n-]2)n1 ZINC001609545103 1352011569 /nfs/dbraw/zinc/01/15/69/1352011569.db2.gz IUQSGSLSAFJVAA-UHFFFAOYSA-N -1 1 338.415 2.208 20 0 EEADMM O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(-c2nn[n-]n2)n1 ZINC001609545103 1352011573 /nfs/dbraw/zinc/01/15/73/1352011573.db2.gz IUQSGSLSAFJVAA-UHFFFAOYSA-N -1 1 338.415 2.208 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001609560706 1352016058 /nfs/dbraw/zinc/01/60/58/1352016058.db2.gz DQEAUHXBFJXKKA-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001609560706 1352016062 /nfs/dbraw/zinc/01/60/62/1352016062.db2.gz DQEAUHXBFJXKKA-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM O=C(NCCCOCc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001609548505 1352012988 /nfs/dbraw/zinc/01/29/88/1352012988.db2.gz KVGGWRWVJVDEKX-UHFFFAOYSA-N -1 1 343.412 2.265 20 0 EEADMM Cc1cnc(CNC[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])o1 ZINC001332474066 1335831804 /nfs/dbraw/zinc/83/18/04/1335831804.db2.gz XGGIHHRZKWQJIZ-JTQLQIEISA-N -1 1 328.290 2.433 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001609583040 1352026548 /nfs/dbraw/zinc/02/65/48/1352026548.db2.gz OFCUTRGZERSPKV-OAHLLOKOSA-N -1 1 348.410 2.357 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001609583040 1352026553 /nfs/dbraw/zinc/02/65/53/1352026553.db2.gz OFCUTRGZERSPKV-OAHLLOKOSA-N -1 1 348.410 2.357 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609583612 1352027350 /nfs/dbraw/zinc/02/73/50/1352027350.db2.gz HXNISIRBPUIVOV-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609583612 1352027356 /nfs/dbraw/zinc/02/73/56/1352027356.db2.gz HXNISIRBPUIVOV-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609619459 1352043098 /nfs/dbraw/zinc/04/30/98/1352043098.db2.gz OLDFYPUSYNANJV-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609619459 1352043101 /nfs/dbraw/zinc/04/31/01/1352043101.db2.gz OLDFYPUSYNANJV-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM CCCCCCNC(=O)[C@@H]1CCCN(Cc2cc(C(=O)[O-])n[nH]2)C1 ZINC001334026189 1336193693 /nfs/dbraw/zinc/19/36/93/1336193693.db2.gz HUWAXEVCHGCCBZ-CYBMUJFWSA-N -1 1 336.436 2.016 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(CCCOCc2nn[n-]n2)CC1 ZINC001334038407 1336196457 /nfs/dbraw/zinc/19/64/57/1336196457.db2.gz CCEKOXYENFNGKM-UHFFFAOYSA-N -1 1 325.413 2.144 20 0 EEADMM C[C@H](C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609642861 1352048535 /nfs/dbraw/zinc/04/85/35/1352048535.db2.gz FYDMWRPGFNLAOB-OIBJUYFYSA-N -1 1 330.262 2.252 20 0 EEADMM C[C@H](CN(Cc1ccccc1)CN1C[C@H]2CCC[C@@H]2C1=O)C(=O)[O-] ZINC001609742552 1352074699 /nfs/dbraw/zinc/07/46/99/1352074699.db2.gz UMBGIHDOFPJUNV-OIISXLGYSA-N -1 1 330.428 2.425 20 0 EEADMM CC(C)n1cc([C@@H](C)NCC(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001609774931 1352082445 /nfs/dbraw/zinc/08/24/45/1352082445.db2.gz XOHLEVYVQKROKC-GFCCVEGCSA-N -1 1 330.388 2.452 20 0 EEADMM C[C@H](Oc1ccc(CN2CCCN(CC(F)F)CC2)cc1)C(=O)[O-] ZINC001609802956 1352089029 /nfs/dbraw/zinc/08/90/29/1352089029.db2.gz NAUCYVJBVJWMPF-ZDUSSCGKSA-N -1 1 342.386 2.311 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCn1cccn1 ZINC001339636185 1337041320 /nfs/dbraw/zinc/04/13/20/1337041320.db2.gz QTTGBHBPVITPGU-UHFFFAOYSA-N -1 1 347.810 2.052 20 0 EEADMM CC[C@@H](C(=O)[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC001609889501 1352112013 /nfs/dbraw/zinc/11/20/13/1352112013.db2.gz GQODWPOBLPUWPC-QMMMGPOBSA-N -1 1 349.250 2.052 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001609908416 1352117610 /nfs/dbraw/zinc/11/76/10/1352117610.db2.gz QRBQPMHWZVOZPX-QWRGUYRKSA-N -1 1 340.449 2.028 20 0 EEADMM Cc1cc2nc(N(C)CCNC(=O)c3ncccc3[O-])oc2c(C)c1 ZINC001100070797 1337978348 /nfs/dbraw/zinc/97/83/48/1337978348.db2.gz BLCAATGZPSTHKB-UHFFFAOYSA-N -1 1 340.383 2.411 20 0 EEADMM CC[C@@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)[C@H](O)c1ccccc1 ZINC001352648592 1338020043 /nfs/dbraw/zinc/02/00/43/1338020043.db2.gz ZHVPVYRMZATMFB-DGCLKSJQSA-N -1 1 333.413 2.021 20 0 EEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)ccn1 ZINC001200376024 1338277663 /nfs/dbraw/zinc/27/76/63/1338277663.db2.gz YWHAVYRCBANZPV-UHFFFAOYSA-N -1 1 326.349 2.429 20 0 EEADMM COc1cc(CO)cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC001200568893 1338428828 /nfs/dbraw/zinc/42/88/28/1338428828.db2.gz KZHHVGKKSZGDES-UHFFFAOYSA-N -1 1 341.360 2.136 20 0 EEADMM COc1cc(OC)c(OC)cc1CN[C@H](CC(F)(F)F)C(=O)[O-] ZINC001610305361 1352203055 /nfs/dbraw/zinc/20/30/55/1352203055.db2.gz MTYCQERWLDTIRR-SECBINFHSA-N -1 1 337.294 2.208 20 0 EEADMM COc1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1Br ZINC001610334673 1352207146 /nfs/dbraw/zinc/20/71/46/1352207146.db2.gz XMJVEMRSCCWQMF-IWIIMEHWSA-N -1 1 326.190 2.220 20 0 EEADMM Cc1cc(C)cc([C@H]2CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)c1 ZINC001610455738 1352225421 /nfs/dbraw/zinc/22/54/21/1352225421.db2.gz MCRFAMXTVIJRHJ-YJBOKZPZSA-N -1 1 332.444 2.318 20 0 EEADMM Cc1cc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)nn1C ZINC001610460102 1352226448 /nfs/dbraw/zinc/22/64/48/1352226448.db2.gz TUDKNHIMDZPQDV-LSDHHAIUSA-N -1 1 335.354 2.307 20 0 EEADMM Cc1c([C@H](C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1C ZINC001610488677 1352231508 /nfs/dbraw/zinc/23/15/08/1352231508.db2.gz QPNDGNKMBKIUIE-NSHDSACASA-N -1 1 330.388 2.024 20 0 EEADMM Cc1[nH]nc2ncc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])cc12 ZINC001610526612 1352238918 /nfs/dbraw/zinc/23/89/18/1352238918.db2.gz LUJGHMIZLWOBJH-UHFFFAOYSA-N -1 1 346.368 2.074 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2nc(Cl)cs2)s1 ZINC001610772503 1352272202 /nfs/dbraw/zinc/27/22/02/1352272202.db2.gz SAEUTBVXTPKHEL-UHFFFAOYSA-N -1 1 332.794 2.308 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@H](CN3CCOC3=O)C2)c1 ZINC001610830037 1352281915 /nfs/dbraw/zinc/28/19/15/1352281915.db2.gz DBGPRAGZJLOLFA-NSHDSACASA-N -1 1 338.791 2.312 20 0 EEADMM O=C([O-])c1cccc2nc(NCc3cnc(N4CCCC4)nc3)[nH]c21 ZINC001610849988 1352285201 /nfs/dbraw/zinc/28/52/01/1352285201.db2.gz HJTPOSKVTCHEDV-UHFFFAOYSA-N -1 1 338.371 2.263 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)CC2 ZINC001610850828 1352285638 /nfs/dbraw/zinc/28/56/38/1352285638.db2.gz TVUHFZYWERRADB-OAHLLOKOSA-N -1 1 340.383 2.253 20 0 EEADMM Cc1cccc([C@H](C)C(=O)NCCN(C)C(=O)c2ncccc2[O-])c1 ZINC001429270689 1339857361 /nfs/dbraw/zinc/85/73/61/1339857361.db2.gz PHOOVAATXMUAPV-AWEZNQCLSA-N -1 1 341.411 2.088 20 0 EEADMM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc([O-])cn1 ZINC001617856626 1352345548 /nfs/dbraw/zinc/34/55/48/1352345548.db2.gz WYSJWBYFPUPSCV-UHFFFAOYSA-N -1 1 330.731 2.421 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001432961808 1341446755 /nfs/dbraw/zinc/44/67/55/1341446755.db2.gz IFCABOMPJMQPQK-STQMWFEESA-N -1 1 333.432 2.096 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc(C)c(F)c2)c1 ZINC001434635622 1341893894 /nfs/dbraw/zinc/89/38/94/1341893894.db2.gz IXXFRRMYZKDTSU-UHFFFAOYSA-N -1 1 325.361 2.327 20 0 EEADMM CC(C)Oc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001574342125 1343674177 /nfs/dbraw/zinc/67/41/77/1343674177.db2.gz KYDKBIXHCVCRHI-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)Oc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001574342125 1343674183 /nfs/dbraw/zinc/67/41/83/1343674183.db2.gz KYDKBIXHCVCRHI-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001575752737 1343870010 /nfs/dbraw/zinc/87/00/10/1343870010.db2.gz QORXDMNUNLBINZ-GJZGRUSLSA-N -1 1 334.383 2.184 20 0 EEADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001575752737 1343870016 /nfs/dbraw/zinc/87/00/16/1343870016.db2.gz QORXDMNUNLBINZ-GJZGRUSLSA-N -1 1 334.383 2.184 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1noc(C)n1 ZINC001576999026 1344081917 /nfs/dbraw/zinc/08/19/17/1344081917.db2.gz MHQJAPHIMBKIKJ-YFKPBYRVSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1noc(C)n1 ZINC001576999026 1344081922 /nfs/dbraw/zinc/08/19/22/1344081922.db2.gz MHQJAPHIMBKIKJ-YFKPBYRVSA-N -1 1 326.773 2.231 20 0 EEADMM CCCC(=O)N[C@@H](C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203275 1344104283 /nfs/dbraw/zinc/10/42/83/1344104283.db2.gz UNIBUSNZJSXWHZ-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)N[C@@H]1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577207052 1344106161 /nfs/dbraw/zinc/10/61/61/1344106161.db2.gz SUOBEBNBQABQDL-WDEREUQCSA-N -1 1 349.464 2.129 20 0 EEADMM Cc1csc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)n1 ZINC001581386096 1344622363 /nfs/dbraw/zinc/62/23/63/1344622363.db2.gz UPRULUXMXAKWPS-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581686943 1344654242 /nfs/dbraw/zinc/65/42/42/1344654242.db2.gz WMOVZRRDXVCLLV-BDAKNGLRSA-N -1 1 349.464 2.127 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001582327701 1344732598 /nfs/dbraw/zinc/73/25/98/1344732598.db2.gz IABXTUWNCOWKMW-GFCCVEGCSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001582643057 1344775556 /nfs/dbraw/zinc/77/55/56/1344775556.db2.gz ZUDICRBFCQHCKA-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001582643057 1344775560 /nfs/dbraw/zinc/77/55/60/1344775560.db2.gz ZUDICRBFCQHCKA-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccc2c(c1)COC2 ZINC001582652982 1344778088 /nfs/dbraw/zinc/77/80/88/1344778088.db2.gz BXKCOCROGRYGSL-UHFFFAOYSA-N -1 1 348.775 2.259 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2c(F)ccc(F)c2C1 ZINC001582744745 1344788434 /nfs/dbraw/zinc/78/84/34/1344788434.db2.gz GHBGWXRKMMQSLX-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2ccsc2-c2nnn[n-]2)c(F)c1 ZINC001588917481 1348947535 /nfs/dbraw/zinc/94/75/35/1348947535.db2.gz LSGQYFFWSOUJTB-UHFFFAOYSA-N -1 1 332.316 2.489 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2ccsc2-c2nn[n-]n2)c(F)c1 ZINC001588917481 1348947540 /nfs/dbraw/zinc/94/75/40/1348947540.db2.gz LSGQYFFWSOUJTB-UHFFFAOYSA-N -1 1 332.316 2.489 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589099040 1348958980 /nfs/dbraw/zinc/95/89/80/1348958980.db2.gz HXTZGJXFPTZDMI-QWHCGFSZSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589099040 1348958984 /nfs/dbraw/zinc/95/89/84/1348958984.db2.gz HXTZGJXFPTZDMI-QWHCGFSZSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001589201058 1348969723 /nfs/dbraw/zinc/96/97/23/1348969723.db2.gz DYUFARRXOILNML-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001589201058 1348969726 /nfs/dbraw/zinc/96/97/26/1348969726.db2.gz DYUFARRXOILNML-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CC2CC(F)(F)C2)n1 ZINC001589249096 1348974648 /nfs/dbraw/zinc/97/46/48/1348974648.db2.gz IQQAWUFLRQVQNQ-UHFFFAOYSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CC2CC(F)(F)C2)n1 ZINC001589249096 1348974653 /nfs/dbraw/zinc/97/46/53/1348974653.db2.gz IQQAWUFLRQVQNQ-UHFFFAOYSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(CNC(=O)c1ccsc1-c1nnn[n-]1)c1ccncc1 ZINC001589286787 1348979581 /nfs/dbraw/zinc/97/95/81/1348979581.db2.gz PKSVOIDSCBPFQE-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccsc1-c1nn[n-]n1)c1ccncc1 ZINC001589286787 1348979583 /nfs/dbraw/zinc/97/95/83/1348979583.db2.gz PKSVOIDSCBPFQE-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC001589326668 1348983986 /nfs/dbraw/zinc/98/39/86/1348983986.db2.gz CRQMTAHOVYSJQP-UHFFFAOYSA-N -1 1 338.415 2.402 20 0 EEADMM CC(C)(O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC001589326668 1348983987 /nfs/dbraw/zinc/98/39/87/1348983987.db2.gz CRQMTAHOVYSJQP-UHFFFAOYSA-N -1 1 338.415 2.402 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001589460977 1348991766 /nfs/dbraw/zinc/99/17/66/1348991766.db2.gz UNZCBCIAVWCQNU-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001589460977 1348991767 /nfs/dbraw/zinc/99/17/67/1348991767.db2.gz UNZCBCIAVWCQNU-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)COc1ccccc1CNc1ncncc1-c1nn[n-]n1 ZINC001589651536 1349015294 /nfs/dbraw/zinc/01/52/94/1349015294.db2.gz XIISSGRNTSAMDG-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)Cc1ncc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001589665295 1349018143 /nfs/dbraw/zinc/01/81/43/1349018143.db2.gz ZTSOFHSUKWGFTN-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM CC(C)Cc1ncc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001589665295 1349018145 /nfs/dbraw/zinc/01/81/45/1349018145.db2.gz ZTSOFHSUKWGFTN-UHFFFAOYSA-N -1 1 329.389 2.169 20 0 EEADMM CC(C)Oc1ccc([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589754699 1349029706 /nfs/dbraw/zinc/02/97/06/1349029706.db2.gz YQXJBCAUHLDCAQ-LLVKDONJSA-N -1 1 325.376 2.039 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cc2cnccc2o1 ZINC001589972983 1349087925 /nfs/dbraw/zinc/08/79/25/1349087925.db2.gz VVBMPZGDRWBQJX-QMMMGPOBSA-N -1 1 327.373 2.315 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cc2cnccc2o1 ZINC001589972983 1349087931 /nfs/dbraw/zinc/08/79/31/1349087931.db2.gz VVBMPZGDRWBQJX-QMMMGPOBSA-N -1 1 327.373 2.315 20 0 EEADMM C[C@@](O)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC001589989490 1349095600 /nfs/dbraw/zinc/09/56/00/1349095600.db2.gz WGUYBYIGAZLMDY-QGZVFWFLSA-N -1 1 347.394 2.067 20 0 EEADMM C[C@@](O)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC001589989490 1349095604 /nfs/dbraw/zinc/09/56/04/1349095604.db2.gz WGUYBYIGAZLMDY-QGZVFWFLSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001590117988 1349162308 /nfs/dbraw/zinc/16/23/08/1349162308.db2.gz NHSPMQYLGWIPIP-BBRMVZONSA-N -1 1 348.410 2.431 20 0 EEADMM CC1(C)[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590117988 1349162311 /nfs/dbraw/zinc/16/23/11/1349162311.db2.gz NHSPMQYLGWIPIP-BBRMVZONSA-N -1 1 348.410 2.431 20 0 EEADMM C[C@@H]1C[C@@H]1COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590221378 1349207222 /nfs/dbraw/zinc/20/72/22/1349207222.db2.gz RXJQAGODHYSEOC-HTRCEHHLSA-N -1 1 327.266 2.093 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H](c2ccsc2)O1 ZINC001590298591 1349252205 /nfs/dbraw/zinc/25/22/05/1349252205.db2.gz LYKQKTBJLXHIPQ-ZANVPECISA-N -1 1 345.384 2.123 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H](c2ccsc2)O1 ZINC001590298591 1349252209 /nfs/dbraw/zinc/25/22/09/1349252209.db2.gz LYKQKTBJLXHIPQ-ZANVPECISA-N -1 1 345.384 2.123 20 0 EEADMM CC[C@@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001590368446 1349287793 /nfs/dbraw/zinc/28/77/93/1349287793.db2.gz BXDUXYRKHAKCFX-LLVKDONJSA-N -1 1 329.339 2.170 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)Nc2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001590503852 1349357233 /nfs/dbraw/zinc/35/72/33/1349357233.db2.gz SOTYKZLQURXLLD-ZJUUUORDSA-N -1 1 336.421 2.165 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)Nc2snc(C)c2-c2nn[n-]n2)CCO1 ZINC001590503852 1349357239 /nfs/dbraw/zinc/35/72/39/1349357239.db2.gz SOTYKZLQURXLLD-ZJUUUORDSA-N -1 1 336.421 2.165 20 0 EEADMM CCOC(=O)[C@@](C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001590749653 1349395227 /nfs/dbraw/zinc/39/52/27/1349395227.db2.gz KRKVYFDFEVSCNE-KRWDZBQOSA-N -1 1 341.371 2.028 20 0 EEADMM CCOC(=O)[C@@](C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001590749653 1349395233 /nfs/dbraw/zinc/39/52/33/1349395233.db2.gz KRKVYFDFEVSCNE-KRWDZBQOSA-N -1 1 341.371 2.028 20 0 EEADMM CCc1nc(NCCCN(C)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590919367 1349412352 /nfs/dbraw/zinc/41/23/52/1349412352.db2.gz PZNMXSUAXBUESV-UHFFFAOYSA-N -1 1 338.419 2.158 20 0 EEADMM CCc1nc(NCCCN(C)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590919367 1349412361 /nfs/dbraw/zinc/41/23/61/1349412361.db2.gz PZNMXSUAXBUESV-UHFFFAOYSA-N -1 1 338.419 2.158 20 0 EEADMM CCc1nc(N[C@@H]2C[C@]2(F)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590917443 1349412800 /nfs/dbraw/zinc/41/28/00/1349412800.db2.gz PQNQRUPLENMPCG-WBMJQRKESA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nc(N[C@@H]2C[C@]2(F)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590917443 1349412810 /nfs/dbraw/zinc/41/28/10/1349412810.db2.gz PQNQRUPLENMPCG-WBMJQRKESA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nnc(Sc2cccc(F)c2-c2nnn[n-]2)nc1CC ZINC001590934053 1349419750 /nfs/dbraw/zinc/41/97/50/1349419750.db2.gz UABDKYTYLUSCRR-UHFFFAOYSA-N -1 1 331.380 2.467 20 0 EEADMM CCc1nnc(Sc2cccc(F)c2-c2nn[n-]n2)nc1CC ZINC001590934053 1349419754 /nfs/dbraw/zinc/41/97/54/1349419754.db2.gz UABDKYTYLUSCRR-UHFFFAOYSA-N -1 1 331.380 2.467 20 0 EEADMM CN(C)c1cccc(COC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001591035206 1349434051 /nfs/dbraw/zinc/43/40/51/1349434051.db2.gz ZRRAVFJTJJEIML-UHFFFAOYSA-N -1 1 329.385 2.351 20 0 EEADMM CN(C)c1cccc(COC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001591035206 1349434055 /nfs/dbraw/zinc/43/40/55/1349434055.db2.gz ZRRAVFJTJJEIML-UHFFFAOYSA-N -1 1 329.385 2.351 20 0 EEADMM COC(=O)c1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1C ZINC001591289866 1349455578 /nfs/dbraw/zinc/45/55/78/1349455578.db2.gz ATEOHJURYYOBBQ-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COC(=O)c1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1C ZINC001591289866 1349455589 /nfs/dbraw/zinc/45/55/89/1349455589.db2.gz ATEOHJURYYOBBQ-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591540155 1349501893 /nfs/dbraw/zinc/50/18/93/1349501893.db2.gz PDYDTRSQVHMOJT-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591540155 1349501902 /nfs/dbraw/zinc/50/19/02/1349501902.db2.gz PDYDTRSQVHMOJT-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccsc2-c2nnn[n-]2)cc1F ZINC001591606708 1349513235 /nfs/dbraw/zinc/51/32/35/1349513235.db2.gz XHPAWZXEUKLHDB-UHFFFAOYSA-N -1 1 333.348 2.353 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccsc2-c2nn[n-]n2)cc1F ZINC001591606708 1349513240 /nfs/dbraw/zinc/51/32/40/1349513240.db2.gz XHPAWZXEUKLHDB-UHFFFAOYSA-N -1 1 333.348 2.353 20 0 EEADMM COc1ccc(OC)c(CCCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591620445 1349516419 /nfs/dbraw/zinc/51/64/19/1349516419.db2.gz VXZKQDBDNDFSJJ-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM COc1ccc(OC)c(CCCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591620445 1349516425 /nfs/dbraw/zinc/51/64/25/1349516425.db2.gz VXZKQDBDNDFSJJ-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591719426 1349534517 /nfs/dbraw/zinc/53/45/17/1349534517.db2.gz HUBAHHSAZTVSBD-LBPRGKRZSA-N -1 1 328.420 2.279 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591719426 1349534525 /nfs/dbraw/zinc/53/45/25/1349534525.db2.gz HUBAHHSAZTVSBD-LBPRGKRZSA-N -1 1 328.420 2.279 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccccc2F)c1-c1nnn[n-]1 ZINC001592330185 1349622045 /nfs/dbraw/zinc/62/20/45/1349622045.db2.gz DRXDUHJHQHNCDA-UHFFFAOYSA-N -1 1 339.338 2.040 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccccc2F)c1-c1nn[n-]n1 ZINC001592330185 1349622050 /nfs/dbraw/zinc/62/20/50/1349622050.db2.gz DRXDUHJHQHNCDA-UHFFFAOYSA-N -1 1 339.338 2.040 20 0 EEADMM Cc1nc(NCc2coc(-c3cccs3)n2)cc(-c2nnn[n-]2)n1 ZINC001592394762 1349627180 /nfs/dbraw/zinc/62/71/80/1349627180.db2.gz XPAHWYKMHBAYAC-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1nc(NCc2coc(-c3cccs3)n2)cc(-c2nn[n-]n2)n1 ZINC001592394762 1349627181 /nfs/dbraw/zinc/62/71/81/1349627181.db2.gz XPAHWYKMHBAYAC-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1-c1nnn[n-]1 ZINC001592468213 1349634842 /nfs/dbraw/zinc/63/48/42/1349634842.db2.gz HBAQBFKMKCXBNI-RTCCRHLQSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c1-c1nn[n-]n1 ZINC001592468213 1349634843 /nfs/dbraw/zinc/63/48/43/1349634843.db2.gz HBAQBFKMKCXBNI-RTCCRHLQSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C3CCC3)cn2)c1-c1nnn[n-]1 ZINC001592516286 1349644495 /nfs/dbraw/zinc/64/44/95/1349644495.db2.gz FOTHOZAJBQZDCL-UHFFFAOYSA-N -1 1 339.359 2.007 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C3CCC3)cn2)c1-c1nn[n-]n1 ZINC001592516286 1349644496 /nfs/dbraw/zinc/64/44/96/1349644496.db2.gz FOTHOZAJBQZDCL-UHFFFAOYSA-N -1 1 339.359 2.007 20 0 EEADMM Clc1ccc2cccnc2c1COc1cnc(-c2nn[n-]n2)nc1 ZINC001592532741 1349649414 /nfs/dbraw/zinc/64/94/14/1349649414.db2.gz ALYSYHYXJFSQIH-UHFFFAOYSA-N -1 1 339.746 2.437 20 0 EEADMM Clc1ccc2cccnc2c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001592533608 1349650046 /nfs/dbraw/zinc/65/00/46/1349650046.db2.gz WDSQTPSESDAADJ-UHFFFAOYSA-N -1 1 326.751 2.404 20 0 EEADMM Clc1ccc2cccnc2c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001592533608 1349650047 /nfs/dbraw/zinc/65/00/47/1349650047.db2.gz WDSQTPSESDAADJ-UHFFFAOYSA-N -1 1 326.751 2.404 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1nnccc1-c1nn[n-]n1 ZINC001592543534 1349654598 /nfs/dbraw/zinc/65/45/98/1349654598.db2.gz BIQWIKMYXDXJKH-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618714 1349673580 /nfs/dbraw/zinc/67/35/80/1349673580.db2.gz WCFHOCHCSLDMAS-ONGXEEELSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618714 1349673584 /nfs/dbraw/zinc/67/35/84/1349673584.db2.gz WCFHOCHCSLDMAS-ONGXEEELSA-N -1 1 340.309 2.260 20 0 EEADMM Fc1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1-n1ccnc1 ZINC001592643600 1349690279 /nfs/dbraw/zinc/69/02/79/1349690279.db2.gz VQRGEJMOLJLXCG-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM Fc1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1-n1ccnc1 ZINC001592643600 1349690281 /nfs/dbraw/zinc/69/02/81/1349690281.db2.gz VQRGEJMOLJLXCG-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM O=C(N[C@@H](CO)CC1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592953793 1349729063 /nfs/dbraw/zinc/72/90/63/1349729063.db2.gz OHCBVWIHCZDEOT-GFCCVEGCSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(N[C@@H](CO)CC1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592953793 1349729066 /nfs/dbraw/zinc/72/90/66/1349729066.db2.gz OHCBVWIHCZDEOT-GFCCVEGCSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001593137489 1349739565 /nfs/dbraw/zinc/73/95/65/1349739565.db2.gz FZGBVROUROFELJ-TZMCWYRMSA-N -1 1 344.444 2.258 20 0 EEADMM O=C(Nc1cc2c(cn1)CCC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593211877 1349746897 /nfs/dbraw/zinc/74/68/97/1349746897.db2.gz DLEHPNGHRYVWHQ-UHFFFAOYSA-N -1 1 341.762 2.051 20 0 EEADMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccsc1-c1nnn[n-]1 ZINC001593211898 1349747439 /nfs/dbraw/zinc/74/74/39/1349747439.db2.gz JMPZNTYPSVLIQL-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1ccc(-c2ncon2)cc1)c1ccsc1-c1nn[n-]n1 ZINC001593211898 1349747442 /nfs/dbraw/zinc/74/74/42/1349747442.db2.gz JMPZNTYPSVLIQL-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1Cc2ccccc2C2(CC2)C1 ZINC001593244565 1349749857 /nfs/dbraw/zinc/74/98/57/1349749857.db2.gz SVUAMYRPFWITIC-UHFFFAOYSA-N -1 1 347.382 2.341 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1Cc2ccccc2C2(CC2)C1 ZINC001593244565 1349749859 /nfs/dbraw/zinc/74/98/59/1349749859.db2.gz SVUAMYRPFWITIC-UHFFFAOYSA-N -1 1 347.382 2.341 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC[C@@H]2CCC[C@@H]21 ZINC001593264743 1349754744 /nfs/dbraw/zinc/75/47/44/1349754744.db2.gz VMGCHUWFLOENSH-BQBZGAKWSA-N -1 1 339.812 2.383 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC(CC2CC2)C1 ZINC001593263460 1349755337 /nfs/dbraw/zinc/75/53/37/1349755337.db2.gz RAXYIKYICURGKF-UHFFFAOYSA-N -1 1 339.812 2.240 20 0 EEADMM O=C(OC1(Cc2ccc(F)cc2)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593281234 1349760727 /nfs/dbraw/zinc/76/07/27/1349760727.db2.gz FYQOOXDOBWWCPG-UHFFFAOYSA-N -1 1 339.330 2.333 20 0 EEADMM O=C(OC1(Cc2ccc(F)cc2)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593281234 1349760730 /nfs/dbraw/zinc/76/07/30/1349760730.db2.gz FYQOOXDOBWWCPG-UHFFFAOYSA-N -1 1 339.330 2.333 20 0 EEADMM O=C(OCCOc1ccccc1F)c1sccc1-c1nn[n-]n1 ZINC001593290326 1349766055 /nfs/dbraw/zinc/76/60/55/1349766055.db2.gz CNJCNVSQNKODTC-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM O=C(OCc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001593305938 1349775839 /nfs/dbraw/zinc/77/58/39/1349775839.db2.gz FYMDBESNLLAUCU-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593307511 1349776637 /nfs/dbraw/zinc/77/66/37/1349776637.db2.gz GIUJLQNKDTYXDY-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593307511 1349776643 /nfs/dbraw/zinc/77/66/43/1349776643.db2.gz GIUJLQNKDTYXDY-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC001593335584 1349782562 /nfs/dbraw/zinc/78/25/62/1349782562.db2.gz PTJXGCBNJFBMLR-UWVGGRQHSA-N -1 1 332.795 2.177 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@H](C(F)(F)F)C1 ZINC001593370346 1349791893 /nfs/dbraw/zinc/79/18/93/1349791893.db2.gz XKNNAESUZUDKIC-QMMMGPOBSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC(Cc2ccccc2)C1 ZINC001593371898 1349793055 /nfs/dbraw/zinc/79/30/55/1349793055.db2.gz WCZNQXFHLBGYMG-UHFFFAOYSA-N -1 1 325.397 2.243 20 0 EEADMM O=C1COc2c(NCc3ccc(-c4nnn[n-]4)o3)cc(Cl)cc2N1 ZINC001593400540 1349797401 /nfs/dbraw/zinc/79/74/01/1349797401.db2.gz PGEBCSMIVGNVJR-UHFFFAOYSA-N -1 1 346.734 2.056 20 0 EEADMM O=C1COc2c(NCc3ccc(-c4nn[n-]n4)o3)cc(Cl)cc2N1 ZINC001593400540 1349797404 /nfs/dbraw/zinc/79/74/04/1349797404.db2.gz PGEBCSMIVGNVJR-UHFFFAOYSA-N -1 1 346.734 2.056 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Cl)sc1Cl ZINC001593495385 1349819251 /nfs/dbraw/zinc/81/92/51/1349819251.db2.gz YETWFDGMRRDHHR-UHFFFAOYSA-N -1 1 328.184 2.445 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001593492829 1349818183 /nfs/dbraw/zinc/81/81/83/1349818183.db2.gz PSGQXKZFMLXDIY-INIZCTEOSA-N -1 1 348.410 2.213 20 0 EEADMM OC1(C[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001593511389 1349826631 /nfs/dbraw/zinc/82/66/31/1349826631.db2.gz WWJQQDQYEQQNFV-ZDUSSCGKSA-N -1 1 343.435 2.101 20 0 EEADMM OC1(C[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001593511389 1349826636 /nfs/dbraw/zinc/82/66/36/1349826636.db2.gz WWJQQDQYEQQNFV-ZDUSSCGKSA-N -1 1 343.435 2.101 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC[C@H](OC2CCC2)C1 ZINC001593543851 1349839657 /nfs/dbraw/zinc/83/96/57/1349839657.db2.gz HTGWCZXGBXXSED-ZDUSSCGKSA-N -1 1 341.419 2.072 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC[C@H](OC2CCC2)C1 ZINC001593543851 1349839660 /nfs/dbraw/zinc/83/96/60/1349839660.db2.gz HTGWCZXGBXXSED-ZDUSSCGKSA-N -1 1 341.419 2.072 20 0 EEADMM c1cn(Cc2ccccc2)nc1CNc1cccnc1-c1nnn[n-]1 ZINC001593576292 1349859513 /nfs/dbraw/zinc/85/95/13/1349859513.db2.gz VTQUNDJKBQTGSS-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cn(Cc2ccccc2)nc1CNc1cccnc1-c1nn[n-]n1 ZINC001593576292 1349859516 /nfs/dbraw/zinc/85/95/16/1349859516.db2.gz VTQUNDJKBQTGSS-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1nc(-c2nnn[n-]2)cnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC001593590252 1349868988 /nfs/dbraw/zinc/86/89/88/1349868988.db2.gz LZGJWZSRAMXPQC-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1nc(-c2nn[n-]n2)cnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC001593590252 1349868991 /nfs/dbraw/zinc/86/89/91/1349868991.db2.gz LZGJWZSRAMXPQC-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1nn2cc(CNc3ccc4c(c3)CCCC4)cnc2c1-c1nnn[n-]1 ZINC001593591580 1349869481 /nfs/dbraw/zinc/86/94/81/1349869481.db2.gz OEQJMKZXHLWGPM-UHFFFAOYSA-N -1 1 346.398 2.400 20 0 EEADMM c1nn2cc(CNc3ccc4c(c3)CCCC4)cnc2c1-c1nn[n-]n1 ZINC001593591580 1349869482 /nfs/dbraw/zinc/86/94/82/1349869482.db2.gz OEQJMKZXHLWGPM-UHFFFAOYSA-N -1 1 346.398 2.400 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2n(n1)CCCC2=O ZINC001595445424 1349886601 /nfs/dbraw/zinc/88/66/01/1349886601.db2.gz IWUIMPGHLKTBIB-UHFFFAOYSA-N -1 1 337.339 2.208 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001597154249 1349918868 /nfs/dbraw/zinc/91/88/68/1349918868.db2.gz QMRBWOGATAVXPA-MRXNPFEDSA-N -1 1 347.374 2.254 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1cccnc1-n1cccn1 ZINC001597157704 1349919281 /nfs/dbraw/zinc/91/92/81/1349919281.db2.gz MQWNQJDQCWPCMI-UHFFFAOYSA-N -1 1 342.786 2.485 20 0 EEADMM Cc1cc([C@H](C)[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001600149210 1349980417 /nfs/dbraw/zinc/98/04/17/1349980417.db2.gz IQZBJGVTYGHLMA-XPTSAGLGSA-N -1 1 348.321 2.490 20 0 EEADMM Cc1cc([C@H](NC(=O)Cc2[nH]nc3ccccc32)C(=O)[O-])ccc1F ZINC001600150746 1349980731 /nfs/dbraw/zinc/98/07/31/1349980731.db2.gz QAGWHJIGHRXKJM-KRWDZBQOSA-N -1 1 341.342 2.495 20 0 EEADMM Cc1cc(CN[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)[nH]c1C(=O)[O-] ZINC001600208048 1349993690 /nfs/dbraw/zinc/99/36/90/1349993690.db2.gz ZHXLLCNYBYHXMF-SWLSCSKDSA-N -1 1 327.384 2.305 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@](CO)(C(C)C)C1 ZINC001600351494 1350026417 /nfs/dbraw/zinc/02/64/17/1350026417.db2.gz BOWKOKDAXAFDTC-IFXJQAMLSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2coc([C@@H]3CCCN3)n2)C(=O)[O-])cc1 ZINC001600376619 1350034179 /nfs/dbraw/zinc/03/41/79/1350034179.db2.gz BHICNQQPBQOQBL-KGLIPLIRSA-N -1 1 343.383 2.006 20 0 EEADMM Cc1ccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1Br ZINC001600412451 1350044341 /nfs/dbraw/zinc/04/43/41/1350044341.db2.gz GAORJSZFJZYWFH-CQSZACIVSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1oc(CNC[C@@H](O)COc2ccc(C)cc2C)cc1C(=O)[O-] ZINC001600468914 1350059436 /nfs/dbraw/zinc/05/94/36/1350059436.db2.gz VGJOKNCGVUBTOJ-CQSZACIVSA-N -1 1 333.384 2.433 20 0 EEADMM Cc1ccncc1N1CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC001600606619 1350096191 /nfs/dbraw/zinc/09/61/91/1350096191.db2.gz KZKXWEZNCBSFHR-UHFFFAOYSA-N -1 1 325.412 2.339 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)CC1(C)COC1 ZINC001600652241 1350108330 /nfs/dbraw/zinc/10/83/30/1350108330.db2.gz VIWVNLYOOVELEU-SNVBAGLBSA-N -1 1 326.418 2.050 20 0 EEADMM Cc1nccc(N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)c1Br ZINC001600752097 1350128224 /nfs/dbraw/zinc/12/82/24/1350128224.db2.gz DVVSSVKQXLLVCT-BFLSOPEQSA-N -1 1 325.206 2.486 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2cccc(CSCC(=O)[O-])c2)n[nH]1 ZINC001600791679 1350138320 /nfs/dbraw/zinc/13/83/20/1350138320.db2.gz BEQJCPLGMZWVHI-SECBINFHSA-N -1 1 349.416 2.314 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H](O)CCOC(C)C)nc1C(=O)[O-] ZINC001600882383 1350159533 /nfs/dbraw/zinc/15/95/33/1350159533.db2.gz KUSNZCGLGSOVSJ-QWHCGFSZSA-N -1 1 342.461 2.463 20 0 EEADMM Cc1sc([C@@H]2CCCN2Cc2ccn(C)c(=O)c2)nc1C(=O)[O-] ZINC001600885019 1350160374 /nfs/dbraw/zinc/16/03/74/1350160374.db2.gz SPUPQTAMNOMFLJ-LBPRGKRZSA-N -1 1 333.413 2.186 20 0 EEADMM Cc1sc(NC(=O)CN[C@H](C[C@@H]2CCCO2)C(=O)[O-])c(C)c1C ZINC001600887387 1350160949 /nfs/dbraw/zinc/16/09/49/1350160949.db2.gz LLEGPAVCQSBRIJ-QWHCGFSZSA-N -1 1 340.445 2.224 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001600906472 1350164967 /nfs/dbraw/zinc/16/49/67/1350164967.db2.gz FPYRKXRGKFIYMU-CQSZACIVSA-N -1 1 328.368 2.155 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC001601375292 1350269568 /nfs/dbraw/zinc/26/95/68/1350269568.db2.gz HKUJZMOJYUFUHV-UHFFFAOYSA-N -1 1 337.339 2.110 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(-n4cccn4)nc3)[nH]c21 ZINC001601631873 1350324465 /nfs/dbraw/zinc/32/44/65/1350324465.db2.gz AVWRWRIGXXVAOC-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(Cc3ccc(F)c4cccnc34)C2)C1 ZINC001601746681 1350353891 /nfs/dbraw/zinc/35/38/91/1350353891.db2.gz MHOXMHURMDIWEP-QGZVFWFLSA-N -1 1 329.331 2.179 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H]2C(=O)[O-] ZINC001601778060 1350362835 /nfs/dbraw/zinc/36/28/35/1350362835.db2.gz BUMOAXISDWTJAE-KDJCLPLCSA-N -1 1 337.803 2.380 20 0 EEADMM O=C([O-])C1CCN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)CC1 ZINC001601824731 1350373157 /nfs/dbraw/zinc/37/31/57/1350373157.db2.gz GFKHCAQIMSQVFW-UHFFFAOYSA-N -1 1 338.367 2.495 20 0 EEADMM O=C([O-])/C=C/c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)o1 ZINC001601874465 1350387113 /nfs/dbraw/zinc/38/71/13/1350387113.db2.gz QKCQQBBIXONEHX-LOWQCSRCSA-N -1 1 340.379 2.034 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1ncn[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001601907981 1350395120 /nfs/dbraw/zinc/39/51/20/1350395120.db2.gz WUTOMDUXNYJHPO-HNNXBMFYSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1nc[nH]n1)c1ccc(-c2ccccc2)cc1 ZINC001601907981 1350395136 /nfs/dbraw/zinc/39/51/36/1350395136.db2.gz WUTOMDUXNYJHPO-HNNXBMFYSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1O ZINC001601990066 1350412145 /nfs/dbraw/zinc/41/21/45/1350412145.db2.gz LMKRHTFHIRSKTE-UHFFFAOYSA-N -1 1 349.408 2.448 20 0 EEADMM O=C([O-])c1[nH]c2ccccc2c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC001602223418 1350470327 /nfs/dbraw/zinc/47/03/27/1350470327.db2.gz GRKDIVXHLWIVQD-JKSUJKDBSA-N -1 1 330.384 2.246 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(c3nnc4n3CCCC4)CC2)[nH]1 ZINC001602338607 1350498313 /nfs/dbraw/zinc/49/83/13/1350498313.db2.gz YPFYCYVSVJEDLZ-UHFFFAOYSA-N -1 1 329.404 2.020 20 0 EEADMM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cncc(F)c1 ZINC001602363608 1350504467 /nfs/dbraw/zinc/50/44/67/1350504467.db2.gz UZQKQCIXUSVFSL-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1ccnc(C(=O)Nc2nc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC001602481177 1350529251 /nfs/dbraw/zinc/52/92/51/1350529251.db2.gz JZFLAFXBLZLWBX-UHFFFAOYSA-N -1 1 343.730 2.471 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CC[C@H]3CC3(Cl)Cl)C2)nn1 ZINC001602495389 1350531761 /nfs/dbraw/zinc/53/17/61/1350531761.db2.gz RZJRKDFQSVFBFO-UWVGGRQHSA-N -1 1 333.219 2.197 20 0 EEADMM O=C([O-])c1cn([C@H]2CCN(Cc3cc4cc(Cl)cnc4o3)C2)nn1 ZINC001602499767 1350532913 /nfs/dbraw/zinc/53/29/13/1350532913.db2.gz SROJEEFVZGHTFA-NSHDSACASA-N -1 1 347.762 2.218 20 0 EEADMM CC(C)(C)c1coc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001603120612 1350645337 /nfs/dbraw/zinc/64/53/37/1350645337.db2.gz JCAQQOOZJQTCCY-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)(C)c1coc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001603120612 1350645342 /nfs/dbraw/zinc/64/53/42/1350645342.db2.gz JCAQQOOZJQTCCY-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)=CCC[C@@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001603186685 1350657955 /nfs/dbraw/zinc/65/79/55/1350657955.db2.gz YMOXZOSEOCVOBK-SNVBAGLBSA-N -1 1 341.462 2.341 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccccc1O)c1ccccc1 ZINC001603191432 1350659898 /nfs/dbraw/zinc/65/98/98/1350659898.db2.gz RHAUERNRXHECSL-XHDPSFHLSA-N -1 1 335.381 2.133 20 0 EEADMM C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccccc1O)c1ccccc1 ZINC001603191430 1350660126 /nfs/dbraw/zinc/66/01/26/1350660126.db2.gz RHAUERNRXHECSL-IAQYHMDHSA-N -1 1 335.381 2.133 20 0 EEADMM CC(C)c1cnc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)o1 ZINC001603406499 1350701680 /nfs/dbraw/zinc/70/16/80/1350701680.db2.gz OEHCQYQIXVOMSE-UHFFFAOYSA-N -1 1 340.387 2.067 20 0 EEADMM C[C@H](CCO)CCNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603495465 1350712692 /nfs/dbraw/zinc/71/26/92/1350712692.db2.gz PDEVUVDXCDQPKJ-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@H](CCO)CCNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603495465 1350712695 /nfs/dbraw/zinc/71/26/95/1350712695.db2.gz PDEVUVDXCDQPKJ-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(OC(F)F)c1 ZINC001603685116 1350741832 /nfs/dbraw/zinc/74/18/32/1350741832.db2.gz FRFIWFZEDZXHBS-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(OC(F)F)c1 ZINC001603685116 1350741835 /nfs/dbraw/zinc/74/18/35/1350741835.db2.gz FRFIWFZEDZXHBS-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC001603748134 1350757193 /nfs/dbraw/zinc/75/71/93/1350757193.db2.gz KUDCKDXZDLYIIO-IBGZPJMESA-N -1 1 348.410 2.073 20 0 EEADMM C[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC001603748134 1350757196 /nfs/dbraw/zinc/75/71/96/1350757196.db2.gz KUDCKDXZDLYIIO-IBGZPJMESA-N -1 1 348.410 2.073 20 0 EEADMM CC(C)CN(CC(F)(F)F)C(=O)CN1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001603810070 1350773404 /nfs/dbraw/zinc/77/34/04/1350773404.db2.gz PIBHUNMXJCDJHH-FZMZJTMJSA-N -1 1 338.370 2.076 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603873602 1350789216 /nfs/dbraw/zinc/78/92/16/1350789216.db2.gz YFFFCOAWDNDDBD-HKWIRBFKSA-N -1 1 347.369 2.443 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603873602 1350789219 /nfs/dbraw/zinc/78/92/19/1350789219.db2.gz YFFFCOAWDNDDBD-HKWIRBFKSA-N -1 1 347.369 2.443 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603891841 1350796048 /nfs/dbraw/zinc/79/60/48/1350796048.db2.gz VCCONPQIFLFKKS-MWLCHTKSSA-N -1 1 345.407 2.001 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604000908 1350826709 /nfs/dbraw/zinc/82/67/09/1350826709.db2.gz PDPHVJUYKABKMG-IUCAKERBSA-N -1 1 329.451 2.031 20 0 EEADMM CC[C@@H](CNC(=O)C1(CC)CC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604030896 1350834690 /nfs/dbraw/zinc/83/46/90/1350834690.db2.gz IGMVRHQOZNGVJZ-JTQLQIEISA-N -1 1 349.464 2.129 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CCCOC1 ZINC001604063717 1350844187 /nfs/dbraw/zinc/84/41/87/1350844187.db2.gz KPHFEDZRDRKFEK-RYUDHWBXSA-N -1 1 329.408 2.151 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CCCOC1 ZINC001604063717 1350844193 /nfs/dbraw/zinc/84/41/93/1350844193.db2.gz KPHFEDZRDRKFEK-RYUDHWBXSA-N -1 1 329.408 2.151 20 0 EEADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604070260 1350846753 /nfs/dbraw/zinc/84/67/53/1350846753.db2.gz QDVRHGBVIIFXFV-DLOVCJGASA-N -1 1 347.423 2.211 20 0 EEADMM CCCOc1cc(C)ccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001604229937 1350899045 /nfs/dbraw/zinc/89/90/45/1350899045.db2.gz HTNMYFJBFGRFHW-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM CCCOc1cc(C)ccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001604229937 1350899047 /nfs/dbraw/zinc/89/90/47/1350899047.db2.gz HTNMYFJBFGRFHW-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM C[C@@]1(Br)C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604482835 1350947106 /nfs/dbraw/zinc/94/71/06/1350947106.db2.gz LOKMBXZCFPABBP-FUXBKTLASA-N -1 1 338.161 2.373 20 0 EEADMM CCc1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001604523898 1350954999 /nfs/dbraw/zinc/95/49/99/1350954999.db2.gz OIBIIHOURSURKO-UHFFFAOYSA-N -1 1 329.385 2.172 20 0 EEADMM C[C@@H]1CC(=O)NCCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001604646985 1350976540 /nfs/dbraw/zinc/97/65/40/1350976540.db2.gz IDQYURHJQHDEAC-GFCCVEGCSA-N -1 1 328.368 2.355 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCCCc1cccc(O)c1 ZINC001604791472 1351005410 /nfs/dbraw/zinc/00/54/10/1351005410.db2.gz XMJMOEMLQMYSPR-OAHLLOKOSA-N -1 1 348.443 2.112 20 0 EEADMM COC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCCCC1 ZINC001605013557 1351054300 /nfs/dbraw/zinc/05/43/00/1351054300.db2.gz IZONZVTWXNZAPX-UHFFFAOYSA-N -1 1 331.376 2.250 20 0 EEADMM COCc1cccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001605133808 1351084708 /nfs/dbraw/zinc/08/47/08/1351084708.db2.gz SUUWSFMBGWKENM-UHFFFAOYSA-N -1 1 325.376 2.226 20 0 EEADMM COCc1cccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001605133808 1351084712 /nfs/dbraw/zinc/08/47/12/1351084712.db2.gz SUUWSFMBGWKENM-UHFFFAOYSA-N -1 1 325.376 2.226 20 0 EEADMM COc1cc2c(cc1Cl)CN(c1cccnc1-c1nnn[n-]1)CC2 ZINC001605238309 1351112744 /nfs/dbraw/zinc/11/27/44/1351112744.db2.gz HBSUNIDITAGDRO-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1cc2c(cc1Cl)CN(c1cccnc1-c1nn[n-]n1)CC2 ZINC001605238309 1351112747 /nfs/dbraw/zinc/11/27/47/1351112747.db2.gz HBSUNIDITAGDRO-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1cccc2[nH]c(NCc3csc(-c4nn[n-]n4)c3)nc21 ZINC001605325922 1351137858 /nfs/dbraw/zinc/13/78/58/1351137858.db2.gz YDNJAZNOPHCYLL-UHFFFAOYSA-N -1 1 327.373 2.425 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccc3ncccc3c2)n1 ZINC001605580696 1351193770 /nfs/dbraw/zinc/19/37/70/1351193770.db2.gz IFJOYCZVTYRGRG-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccc3ncccc3c2)n1 ZINC001605580696 1351193773 /nfs/dbraw/zinc/19/37/73/1351193773.db2.gz IFJOYCZVTYRGRG-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cc(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)c(C)c(C)c1C ZINC001605588620 1351195464 /nfs/dbraw/zinc/19/54/64/1351195464.db2.gz INCLZTAKOCHSCL-UHFFFAOYSA-N -1 1 337.383 2.145 20 0 EEADMM Cc1cc(C)c(C)c(C(=O)Cn2cc(-c3nn[n-]n3)ccc2=O)c1C ZINC001605640999 1351208337 /nfs/dbraw/zinc/20/83/37/1351208337.db2.gz OOIRFAXTDWLEEQ-UHFFFAOYSA-N -1 1 337.383 2.145 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001605838599 1351232586 /nfs/dbraw/zinc/23/25/86/1351232586.db2.gz JVMAMJLLRVMVFG-NSHDSACASA-N -1 1 342.428 2.127 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001605838599 1351232587 /nfs/dbraw/zinc/23/25/87/1351232587.db2.gz JVMAMJLLRVMVFG-NSHDSACASA-N -1 1 342.428 2.127 20 0 EEADMM Cc1ccc(CCNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)nc1 ZINC001605843410 1351234397 /nfs/dbraw/zinc/23/43/97/1351234397.db2.gz GEUUYQORELZYMS-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1nsc(NC(=O)NCCc2cccc(C)c2)c1-c1nnn[n-]1 ZINC001605913107 1351252757 /nfs/dbraw/zinc/25/27/57/1351252757.db2.gz BZWVBHZYGIUGFX-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM Cc1nsc(NC(=O)NCCc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001605913107 1351252759 /nfs/dbraw/zinc/25/27/59/1351252759.db2.gz BZWVBHZYGIUGFX-UHFFFAOYSA-N -1 1 343.416 2.304 20 0 EEADMM Cc1ncc(Br)cc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001606085474 1351267961 /nfs/dbraw/zinc/26/79/61/1351267961.db2.gz BUEVHEZUTYXFIR-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1ncc(Br)cc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001606085474 1351267963 /nfs/dbraw/zinc/26/79/63/1351267963.db2.gz BUEVHEZUTYXFIR-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1nsc(N(C)C(=O)CCc2ccsc2)c1-c1nnn[n-]1 ZINC001606139490 1351278392 /nfs/dbraw/zinc/27/83/92/1351278392.db2.gz NGGIBWJHRULFAW-UHFFFAOYSA-N -1 1 334.430 2.289 20 0 EEADMM Cc1nsc(N(C)C(=O)CCc2ccsc2)c1-c1nn[n-]n1 ZINC001606139490 1351278398 /nfs/dbraw/zinc/27/83/98/1351278398.db2.gz NGGIBWJHRULFAW-UHFFFAOYSA-N -1 1 334.430 2.289 20 0 EEADMM Cc1nsc(Sc2nnc(-c3ccco3)n2C)c1-c1nnn[n-]1 ZINC001606163708 1351279848 /nfs/dbraw/zinc/27/98/48/1351279848.db2.gz MTTUPAXJCOUHPC-UHFFFAOYSA-N -1 1 346.401 2.171 20 0 EEADMM Cc1nsc(Sc2nnc(-c3ccco3)n2C)c1-c1nn[n-]n1 ZINC001606163708 1351279851 /nfs/dbraw/zinc/27/98/51/1351279851.db2.gz MTTUPAXJCOUHPC-UHFFFAOYSA-N -1 1 346.401 2.171 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC001606169336 1351280792 /nfs/dbraw/zinc/28/07/92/1351280792.db2.gz TZTRFVACCDBHQF-CYBMUJFWSA-N -1 1 327.319 2.325 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCc2c1cccc2F ZINC001606169336 1351280796 /nfs/dbraw/zinc/28/07/96/1351280796.db2.gz TZTRFVACCDBHQF-CYBMUJFWSA-N -1 1 327.319 2.325 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CC23CCOCC3)nc(-c2nnn[n-]2)c1 ZINC001606291949 1351289352 /nfs/dbraw/zinc/28/93/52/1351289352.db2.gz JMOULDASGBVETJ-JTQLQIEISA-N -1 1 340.309 2.262 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CC23CCOCC3)nc(-c2nn[n-]n2)c1 ZINC001606291949 1351289353 /nfs/dbraw/zinc/28/93/53/1351289353.db2.gz JMOULDASGBVETJ-JTQLQIEISA-N -1 1 340.309 2.262 20 0 EEADMM CNC(=O)c1cccc(CN2CCOc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001606291077 1351289545 /nfs/dbraw/zinc/28/95/45/1351289545.db2.gz OIUONAYPSJFABN-QGZVFWFLSA-N -1 1 340.379 2.067 20 0 EEADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)N1CCc2ccccc21 ZINC001606582102 1351325816 /nfs/dbraw/zinc/32/58/16/1351325816.db2.gz TWMQVQLRCGEPGS-UHFFFAOYSA-N -1 1 341.396 2.282 20 0 EEADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)N1CCc2ccccc21 ZINC001606582102 1351325819 /nfs/dbraw/zinc/32/58/19/1351325819.db2.gz TWMQVQLRCGEPGS-UHFFFAOYSA-N -1 1 341.396 2.282 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](NC/C(Cl)=C/Cl)C(C)C)c1[O-] ZINC001374417873 1376797487 /nfs/dbraw/zinc/79/74/87/1376797487.db2.gz XALONANOTFMDLK-FWAPLPHYSA-N -1 1 335.235 2.087 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCCC[C@@H]3CC(=O)[O-])nc2c1 ZINC001606605920 1351331070 /nfs/dbraw/zinc/33/10/70/1351331070.db2.gz QUVBFLNHFXXRQW-GFCCVEGCSA-N -1 1 331.372 2.179 20 0 EEADMM CO[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2O)[C@@](C)(C(=O)[O-])C1 ZINC001606765949 1351353752 /nfs/dbraw/zinc/35/37/52/1351353752.db2.gz WZPDMYPQRDLSPM-XLKFXECMSA-N -1 1 347.289 2.115 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCc2ccccc2C1 ZINC001606897793 1351371460 /nfs/dbraw/zinc/37/14/60/1351371460.db2.gz RSEDDKHBFNTHGW-AWEZNQCLSA-N -1 1 335.367 2.316 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1([C@@H]2CCCCO2)CCC1 ZINC001606897657 1351371699 /nfs/dbraw/zinc/37/16/99/1351371699.db2.gz ICBMWBPKPFDTGH-AWEZNQCLSA-N -1 1 343.387 2.250 20 0 EEADMM O=C([O-])C[C@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001606960449 1351385406 /nfs/dbraw/zinc/38/54/06/1351385406.db2.gz HXXBMYPVEAPTCF-CYBMUJFWSA-N -1 1 343.412 2.276 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)n1 ZINC001606974054 1351389054 /nfs/dbraw/zinc/38/90/54/1351389054.db2.gz VHLACBALVOCVLR-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)n1 ZINC001606974054 1351389057 /nfs/dbraw/zinc/38/90/57/1351389057.db2.gz VHLACBALVOCVLR-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cnc(CC2CC2)s1 ZINC001606985347 1351393128 /nfs/dbraw/zinc/39/31/28/1351393128.db2.gz MCKOUACSWSPRHK-UHFFFAOYSA-N -1 1 348.413 2.089 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cnc(CC2CC2)s1 ZINC001606985347 1351393133 /nfs/dbraw/zinc/39/31/33/1351393133.db2.gz MCKOUACSWSPRHK-UHFFFAOYSA-N -1 1 348.413 2.089 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@H](Nc2ccccc2)C1 ZINC001607016912 1351397974 /nfs/dbraw/zinc/39/79/74/1351397974.db2.gz HEJNEXZKGIYOAS-ZDUSSCGKSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@H](Nc2ccccc2)C1 ZINC001607016912 1351397977 /nfs/dbraw/zinc/39/79/77/1351397977.db2.gz HEJNEXZKGIYOAS-ZDUSSCGKSA-N -1 1 338.371 2.176 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1Cl ZINC001607075565 1351407024 /nfs/dbraw/zinc/40/70/24/1351407024.db2.gz ZVYGJVFAWHMFJO-JOCHJYFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1Cl ZINC001607075565 1351407027 /nfs/dbraw/zinc/40/70/27/1351407027.db2.gz ZVYGJVFAWHMFJO-JOCHJYFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cccc(Cl)c1)CCC2 ZINC001607089522 1351413575 /nfs/dbraw/zinc/41/35/75/1351413575.db2.gz YCTLDDKZNDMOKL-UHFFFAOYSA-N -1 1 327.775 2.219 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ncc(C2CC2)o1 ZINC001607090530 1351413826 /nfs/dbraw/zinc/41/38/26/1351413826.db2.gz SVQFLIRDRCEPBO-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM c1nc2ccccc2n1C[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001607131691 1351432801 /nfs/dbraw/zinc/43/28/01/1351432801.db2.gz INWAVGWUFMKKOJ-CQSZACIVSA-N -1 1 346.398 2.280 20 0 EEADMM c1nc2ccccc2n1C[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001607131691 1351432802 /nfs/dbraw/zinc/43/28/02/1351432802.db2.gz INWAVGWUFMKKOJ-CQSZACIVSA-N -1 1 346.398 2.280 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc2cncn2c1 ZINC001607134403 1351434761 /nfs/dbraw/zinc/43/47/61/1351434761.db2.gz KEYAJVKMTMNLMO-UHFFFAOYSA-N -1 1 340.339 2.363 20 0 EEADMM COc1ccc([C@@H](O)C2CCN(Cc3oncc3C(=O)[O-])CC2)cc1 ZINC001607234267 1351455572 /nfs/dbraw/zinc/45/55/72/1351455572.db2.gz DNJBSMXKOYUHHM-QGZVFWFLSA-N -1 1 346.383 2.327 20 0 EEADMM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCN2C(C)(C)C)c1 ZINC001607313090 1351471040 /nfs/dbraw/zinc/47/10/40/1351471040.db2.gz VWVHVXJIXGJJJK-KXBFYZLASA-N -1 1 348.443 2.374 20 0 EEADMM CSc1ccc(NC(=O)NCCN2CC=CCC2)cc1C(=O)[O-] ZINC001607406532 1351489450 /nfs/dbraw/zinc/48/94/50/1351489450.db2.gz BSLTTYJEBCAGDU-UHFFFAOYSA-N -1 1 335.429 2.490 20 0 EEADMM C[C@H]1C[C@H]([N@H+]2CCC[C@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463545 1351497735 /nfs/dbraw/zinc/49/77/35/1351497735.db2.gz YNVQSISBZQGKRO-DLOVCJGASA-N -1 1 340.470 2.339 20 0 EEADMM C[C@H]1C[C@H](N2CCC[C@H]2C(=O)NCC(=O)[O-])c2ccsc2S1 ZINC001607463545 1351497739 /nfs/dbraw/zinc/49/77/39/1351497739.db2.gz YNVQSISBZQGKRO-DLOVCJGASA-N -1 1 340.470 2.339 20 0 EEADMM Cc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1F ZINC001607807587 1351563263 /nfs/dbraw/zinc/56/32/63/1351563263.db2.gz OQPCMVXQEWCCOB-LBPRGKRZSA-N -1 1 339.436 2.312 20 0 EEADMM Cc1ccc2c(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])coc2c1C ZINC001607827255 1351566419 /nfs/dbraw/zinc/56/64/19/1351566419.db2.gz SPPNHRXDSQJYEG-HNNXBMFYSA-N -1 1 341.367 2.127 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC001607850666 1351571543 /nfs/dbraw/zinc/57/15/43/1351571543.db2.gz LKCKWLIDIIMIFR-APWZRJJASA-N -1 1 348.418 2.375 20 0 EEADMM Cc1n[nH]c(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001607934607 1351588811 /nfs/dbraw/zinc/58/88/11/1351588811.db2.gz KTOILSGZXOVMJX-DDHOLCJHSA-N -1 1 329.356 2.202 20 0 EEADMM NC(=O)CCN(Cc1occc1C(=O)[O-])[C@H]1CCOc2ccccc21 ZINC001608233946 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/nfs/dbraw/zinc/58/25/26/1403582526.db2.gz FSLNLFAIHQCJMI-MGCOHNPYSA-N -1 1 349.464 2.127 20 0 EEADMM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC001577804279 1403686737 /nfs/dbraw/zinc/68/67/37/1403686737.db2.gz CCWHJNGTNBBGII-UHFFFAOYSA-N -1 1 344.325 2.136 20 0 EEADMM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC001577804279 1403686750 /nfs/dbraw/zinc/68/67/50/1403686750.db2.gz CCWHJNGTNBBGII-UHFFFAOYSA-N -1 1 344.325 2.136 20 0 EEADMM CCc1ccc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)s1 ZINC001578523340 1403767527 /nfs/dbraw/zinc/76/75/27/1403767527.db2.gz KVFOASDPRHEKML-UHFFFAOYSA-N -1 1 330.373 2.147 20 0 EEADMM CCc1ccc2c(c1)[C@H](Nc1nc(C)cc(-c3nnn[n-]3)n1)CCO2 ZINC001578526833 1403767672 /nfs/dbraw/zinc/76/76/72/1403767672.db2.gz FTNKVAOFJYCHAM-CYBMUJFWSA-N -1 1 337.387 2.463 20 0 EEADMM CCc1ccc2c(c1)[C@H](Nc1nc(C)cc(-c3nn[n-]n3)n1)CCO2 ZINC001578526833 1403767679 /nfs/dbraw/zinc/76/76/79/1403767679.db2.gz FTNKVAOFJYCHAM-CYBMUJFWSA-N -1 1 337.387 2.463 20 0 EEADMM CCc1cncc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001578560547 1403771200 /nfs/dbraw/zinc/77/12/00/1403771200.db2.gz UKALXDQEKJRUET-UHFFFAOYSA-N -1 1 335.780 2.186 20 0 EEADMM COc1ncc(NC(=O)C2(C)CCC(C)CC2)cc1-c1nn[n-]n1 ZINC001580129759 1403831785 /nfs/dbraw/zinc/83/17/85/1403831785.db2.gz AZADOOMWKUPJFU-UHFFFAOYSA-N -1 1 330.392 2.425 20 0 EEADMM CSCCCCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591699724 1403940085 /nfs/dbraw/zinc/94/00/85/1403940085.db2.gz XSJCHVCFJLWEFJ-UHFFFAOYSA-N -1 1 347.857 2.241 20 0 EEADMM Cc1c(Nc2ncncc2-c2nn[n-]n2)cnn1-c1ccccc1F ZINC001591830978 1403954352 /nfs/dbraw/zinc/95/43/52/1403954352.db2.gz NYNYBAKGTDCKLJ-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ccc(Cl)cc3C2)n1 ZINC001591889031 1403970608 /nfs/dbraw/zinc/97/06/08/1403970608.db2.gz ZTZKIPZNBHKQJB-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ccc(Cl)cc3C2)n1 ZINC001591889031 1403970616 /nfs/dbraw/zinc/97/06/16/1403970616.db2.gz ZTZKIPZNBHKQJB-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1ccc(C(F)(F)C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001592136426 1404002654 /nfs/dbraw/zinc/00/26/54/1404002654.db2.gz HBOZBIFMIJGRFU-UHFFFAOYSA-N -1 1 345.309 2.405 20 0 EEADMM Cc1ccc(C(F)(F)C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001592136426 1404002662 /nfs/dbraw/zinc/00/26/62/1404002662.db2.gz HBOZBIFMIJGRFU-UHFFFAOYSA-N -1 1 345.309 2.405 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001592137409 1404005754 /nfs/dbraw/zinc/00/57/54/1404005754.db2.gz HEXOWKOWWAJCJN-HZMBPMFUSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)sc2nccc(C)c12 ZINC001592276228 1404016505 /nfs/dbraw/zinc/01/65/05/1404016505.db2.gz JSKJJAMFHYNRLP-UHFFFAOYSA-N -1 1 340.372 2.069 20 0 EEADMM Cc1nsc(NC[C@H](C)NC(=O)/C=C/C(C)(C)C)c1-c1nn[n-]n1 ZINC001592493472 1404703318 /nfs/dbraw/zinc/70/33/18/1404703318.db2.gz XBWWJJYVDUFYCB-UCUJLANTSA-N -1 1 349.464 2.151 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(CC1CC1)C1CCCCC1 ZINC001592913418 1404729547 /nfs/dbraw/zinc/72/95/47/1404729547.db2.gz GXIHDOSRPVKPBR-UHFFFAOYSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(CC1CC1)C1CCCCC1 ZINC001592913418 1404729552 /nfs/dbraw/zinc/72/95/52/1404729552.db2.gz GXIHDOSRPVKPBR-UHFFFAOYSA-N -1 1 340.431 2.376 20 0 EEADMM O=C(NC[C@H]1Cc2ccccc21)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593047228 1404740330 /nfs/dbraw/zinc/74/03/30/1404740330.db2.gz IBDOYDWHQXTTCU-GFCCVEGCSA-N -1 1 344.378 2.418 20 0 EEADMM Cc1nc(NCCCCOc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001606074043 1404762839 /nfs/dbraw/zinc/76/28/39/1404762839.db2.gz ZZKHOARUVBGGGL-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1nc(NCCCCOc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001606074043 1404762841 /nfs/dbraw/zinc/76/28/41/1404762841.db2.gz ZZKHOARUVBGGGL-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1nsc(NC(=O)CC[C@@H]2CC(C)(C)CO2)c1-c1nnn[n-]1 ZINC001606149792 1404769089 /nfs/dbraw/zinc/76/90/89/1404769089.db2.gz ZNBXYPFAXXQLHH-SECBINFHSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)CC[C@@H]2CC(C)(C)CO2)c1-c1nn[n-]n1 ZINC001606149792 1404769093 /nfs/dbraw/zinc/76/90/93/1404769093.db2.gz ZNBXYPFAXXQLHH-SECBINFHSA-N -1 1 336.421 2.165 20 0 EEADMM FC1(F)C[C@]2(CCN(c3ccnc(-c4nnn[n-]4)c3)C2)C1(F)F ZINC001606301550 1404784035 /nfs/dbraw/zinc/78/40/35/1404784035.db2.gz VAHXQEWNDYCKBH-NSHDSACASA-N -1 1 328.273 2.133 20 0 EEADMM FC1(F)C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)c3)C2)C1(F)F ZINC001606301550 1404784043 /nfs/dbraw/zinc/78/40/43/1404784043.db2.gz VAHXQEWNDYCKBH-NSHDSACASA-N -1 1 328.273 2.133 20 0 EEADMM Fc1cc(Br)ccc1Oc1ccnc(-c2nn[n-]n2)n1 ZINC001606308326 1404786482 /nfs/dbraw/zinc/78/64/82/1404786482.db2.gz BKQIQVNBLWUIOX-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(F)cc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001606312127 1404787008 /nfs/dbraw/zinc/78/70/08/1404787008.db2.gz FPAVLMRBQZKNOF-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM Fc1cc(F)cc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001606312127 1404787010 /nfs/dbraw/zinc/78/70/10/1404787010.db2.gz FPAVLMRBQZKNOF-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C=C1CCC1 ZINC001756939344 1409530339 /nfs/dbraw/zinc/53/03/39/1409530339.db2.gz KTMJXDMTBQMMOK-ZFWWWQNUSA-N -1 1 343.427 2.112 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1nn[n-]n1 ZINC001772383354 1410160346 /nfs/dbraw/zinc/16/03/46/1410160346.db2.gz YXOPJTRMUDEFGQ-ZDUSSCGKSA-N -1 1 332.433 2.304 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cncc(Cl)n1 ZINC001069559517 1411060465 /nfs/dbraw/zinc/06/04/65/1411060465.db2.gz FKDSJBJFKDHLCP-LLVKDONJSA-N -1 1 347.806 2.193 20 0 EEADMM CC(C(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1)=C1CCCC1 ZINC001087146908 759492693 /nfs/dbraw/zinc/49/26/93/759492693.db2.gz YOZQYCAHAXFBIH-DOMZBBRYSA-N -1 1 347.463 2.118 20 0 EEADMM C[C@H](CNc1cccc(F)n1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001104845014 765412397 /nfs/dbraw/zinc/41/23/97/765412397.db2.gz BVZBIRWUWVWZSH-SNVBAGLBSA-N -1 1 345.378 2.166 20 0 EEADMM O=C(NC[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000918046000 768858717 /nfs/dbraw/zinc/85/87/17/768858717.db2.gz OUEILXZJGFAPRW-LBPRGKRZSA-N -1 1 339.750 2.354 20 0 EEADMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc1F ZINC001211682741 770246909 /nfs/dbraw/zinc/24/69/09/770246909.db2.gz SEISWOMLZDIQMI-UHFFFAOYSA-N -1 1 330.312 2.062 20 0 EEADMM CCN(C(=O)c1occc1C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942669827 782978806 /nfs/dbraw/zinc/97/88/06/782978806.db2.gz KGGORAUBTZUPHY-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1ccncc1Cl)c1ncccc1[O-] ZINC001027844521 773436748 /nfs/dbraw/zinc/43/67/48/773436748.db2.gz UJEXFYNKMHDRNE-CYBMUJFWSA-N -1 1 346.818 2.230 20 0 EEADMM CCCCNC(=O)N[N-]C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000064427338 773485825 /nfs/dbraw/zinc/48/58/25/773485825.db2.gz UWAZQXWSVBPHBB-UHFFFAOYSA-N -1 1 335.795 2.474 20 0 EEADMM O=C([N-]NC(=O)c1cccc2cccnc21)c1cc(-c2ccco2)[nH]n1 ZINC000064501297 773552616 /nfs/dbraw/zinc/55/26/16/773552616.db2.gz YVAZSTZBDXPLCK-UHFFFAOYSA-N -1 1 347.334 2.293 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000942755645 783139316 /nfs/dbraw/zinc/13/93/16/783139316.db2.gz HXHUOHWIEICMMA-UONOGXRCSA-N -1 1 333.432 2.142 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000938952941 775043886 /nfs/dbraw/zinc/04/38/86/775043886.db2.gz WYYVBECTKSCINK-BFHYXJOUSA-N -1 1 345.443 2.142 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC001058878898 777131510 /nfs/dbraw/zinc/13/15/10/777131510.db2.gz BJJLSXKYLYTPQY-LBPRGKRZSA-N -1 1 335.367 2.057 20 0 EEADMM Cc1ccc(C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)s1 ZINC000940073629 778046737 /nfs/dbraw/zinc/04/67/37/778046737.db2.gz PZWQUAHSCVTVIZ-UHFFFAOYSA-N -1 1 345.424 2.145 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000940132356 778140825 /nfs/dbraw/zinc/14/08/25/778140825.db2.gz VFCSSWREFSBJFR-RBSFLKMASA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1sccc1Br ZINC000228547902 790631851 /nfs/dbraw/zinc/63/18/51/790631851.db2.gz YXKBCISCDLDAJE-MRVPVSSYSA-N -1 1 342.280 2.196 20 0 EEADMM Cc1cocc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946270361 790639819 /nfs/dbraw/zinc/63/98/19/790639819.db2.gz CNEHJXMXMOSNAB-GXTWGEPZSA-N -1 1 343.383 2.017 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccsc1)c1cc(F)c(F)cc1F ZINC000182470484 779070397 /nfs/dbraw/zinc/07/03/97/779070397.db2.gz VVNFPASALWJBNN-NSHDSACASA-N -1 1 337.344 2.177 20 0 EEADMM CCCC(=O)N1CC2(C[C@@H]1C)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982224357 779319448 /nfs/dbraw/zinc/31/94/48/779319448.db2.gz ZPHGXBMZQZKLEP-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088319998 783495197 /nfs/dbraw/zinc/49/51/97/783495197.db2.gz SZBHVYJUSJSSCC-ZDUSSCGKSA-N -1 1 337.468 2.053 20 0 EEADMM Cc1ccnc(NCc2ccc(CNC(=O)c3ncccc3[O-])cc2)n1 ZINC001063419411 790976174 /nfs/dbraw/zinc/97/61/74/790976174.db2.gz 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784707272 /nfs/dbraw/zinc/70/72/72/784707272.db2.gz NTAKWKPIDYRVPP-QWHCGFSZSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945733168 784729360 /nfs/dbraw/zinc/72/93/60/784729360.db2.gz XZYGGUQCICVOLN-GXTWGEPZSA-N -1 1 343.383 2.051 20 0 EEADMM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907944523 784976939 /nfs/dbraw/zinc/97/69/39/784976939.db2.gz UIOZLYWIQJTXQQ-HNNXBMFYSA-N -1 1 349.479 2.252 20 0 EEADMM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N2CCc3c2cccc3C(=O)[O-])C1 ZINC000907982609 785007272 /nfs/dbraw/zinc/00/72/72/785007272.db2.gz LTRWMQRZBRBZCJ-HZMBPMFUSA-N -1 1 325.368 2.363 20 0 EEADMM Cc1nnc(-c2ccc([N-]S(=O)(=O)CCOCC3CC3)cc2)o1 ZINC000818050007 785190690 /nfs/dbraw/zinc/19/06/90/785190690.db2.gz KDOQTLSZDCEZLP-UHFFFAOYSA-N -1 1 337.401 2.213 20 0 EEADMM CC(C)C[C@@H](C(N)=O)C(=O)Nc1cccc([O-])c1Br ZINC000908708448 785661169 /nfs/dbraw/zinc/66/11/69/785661169.db2.gz WZXSPRHCRLKNMM-QMMMGPOBSA-N -1 1 329.194 2.241 20 0 EEADMM 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791517387 /nfs/dbraw/zinc/51/73/87/791517387.db2.gz GGTIJRZNJFEYDB-UHFFFAOYSA-N -1 1 341.371 2.390 20 0 EEADMM Cc1nsc(NCC[C@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001063831800 791801592 /nfs/dbraw/zinc/80/15/92/791801592.db2.gz WZDLNKBDKBNWKB-GFCCVEGCSA-N -1 1 347.444 2.444 20 0 EEADMM Cc1cc(N[C@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)ncn1 ZINC001063880536 791876058 /nfs/dbraw/zinc/87/60/58/791876058.db2.gz KGMPNWQDSMNJKG-ZIAGYGMSSA-N -1 1 341.415 2.238 20 0 EEADMM COC(=O)c1cc(C)c(C)c(NC(=O)c2c(CO)cnc(C)c2[O-])c1 ZINC001147843434 791999855 /nfs/dbraw/zinc/99/98/55/791999855.db2.gz WCKVGJFQVVQXMU-UHFFFAOYSA-N -1 1 344.367 2.244 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3nc4cc[nH]cc-4n3)cc2)[n-]1 ZINC001148340566 792350082 /nfs/dbraw/zinc/35/00/82/792350082.db2.gz NJMBPXHIUKPWRY-UHFFFAOYSA-N -1 1 348.366 2.001 20 0 EEADMM CN(C1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1)[C@H]1CCOC1 ZINC001148815098 792724945 /nfs/dbraw/zinc/72/49/45/792724945.db2.gz IUFXTDQIMGGKSX-JTQLQIEISA-N -1 1 345.226 2.244 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CN(Cc2ccsc2)C1 ZINC001030776154 792762077 /nfs/dbraw/zinc/76/20/77/792762077.db2.gz RHRRELWNCRYDON-UHFFFAOYSA-N -1 1 346.456 2.290 20 0 EEADMM CCCc1cc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)n[nH]1 ZINC000030027960 794109375 /nfs/dbraw/zinc/10/93/75/794109375.db2.gz VJLXUKGGGJSWTR-UHFFFAOYSA-N -1 1 331.401 2.134 20 0 EEADMM Cc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1-n1cccc1 ZINC000913742655 794202063 /nfs/dbraw/zinc/20/20/63/794202063.db2.gz NZAYFPTWXYJXLC-UHFFFAOYSA-N -1 1 336.399 2.319 20 0 EEADMM O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743196 794205736 /nfs/dbraw/zinc/20/57/36/794205736.db2.gz KHKBOQSTPAIATR-UHFFFAOYSA-N -1 1 343.284 2.377 20 0 EEADMM C[C@@H](CC(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(F)cc1F ZINC000913743967 794208530 /nfs/dbraw/zinc/20/85/30/794208530.db2.gz UIPGUPQCERXFTO-JTQLQIEISA-N -1 1 335.358 2.378 20 0 EEADMM C[C@@H](CCOc1ccccc1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743965 794209117 /nfs/dbraw/zinc/20/91/17/794209117.db2.gz UHRUUUSMIPGSJN-ZDUSSCGKSA-N -1 1 329.404 2.011 20 0 EEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744757 794210519 /nfs/dbraw/zinc/21/05/19/794210519.db2.gz CHEZRWPBBCTZKH-NXEZZACHSA-N -1 1 337.836 2.424 20 0 EEADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cn(C)nc2Br)C1 ZINC000712415725 794507203 /nfs/dbraw/zinc/50/72/03/794507203.db2.gz NYNADMODVMOEDI-ZDUSSCGKSA-N -1 1 330.226 2.259 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]2C)c1[O-] ZINC001079574190 794951980 /nfs/dbraw/zinc/95/19/80/794951980.db2.gz VQCZNGXMMUOCOH-IXPVHAAZSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1cc(NC2(CNC(=O)c3ncccc3[O-])CCCCC2)ncn1 ZINC001093388792 795135123 /nfs/dbraw/zinc/13/51/23/795135123.db2.gz JIERNLNQXHUFPG-UHFFFAOYSA-N -1 1 341.415 2.430 20 0 EEADMM CCc1ccc(N(CC)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000915193214 795709060 /nfs/dbraw/zinc/70/90/60/795709060.db2.gz BEIPQJFGURZFJH-UHFFFAOYSA-N -1 1 336.413 2.417 20 0 EEADMM Cc1ccc(NC2CCC(NC(=O)c3ncccc3[O-])CC2)nn1 ZINC001060589330 796695106 /nfs/dbraw/zinc/69/51/06/796695106.db2.gz OEMFZELAWITHTC-UHFFFAOYSA-N -1 1 327.388 2.039 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)cc1F ZINC000032629974 797086518 /nfs/dbraw/zinc/08/65/18/797086518.db2.gz OXFZMLMTROTKPD-UHFFFAOYSA-N -1 1 338.360 2.042 20 0 EEADMM C[C@@H]1CC[C@H](Nc2[n-]c(=O)nc3nc[nH]c32)CN1C(=O)OC(C)(C)C ZINC001173061698 797210189 /nfs/dbraw/zinc/21/01/89/797210189.db2.gz GLJQOCOROKKCFQ-ZJUUUORDSA-N -1 1 348.407 2.258 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001082224933 797328644 /nfs/dbraw/zinc/32/86/44/797328644.db2.gz DUTONDCJXZOITN-HNRFISLBSA-N -1 1 343.427 2.421 20 0 EEADMM CON(C)C(=O)c1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212721560 797367341 /nfs/dbraw/zinc/36/73/41/797367341.db2.gz WRFWGFGSERVIHJ-UHFFFAOYSA-N -1 1 326.312 2.138 20 0 EEADMM COc1cccc([N-]S(=O)(=O)c2cc(N)ccc2OC)c1F ZINC001173972219 797679189 /nfs/dbraw/zinc/67/91/89/797679189.db2.gz CDENMXPZLSPXNY-UHFFFAOYSA-N -1 1 326.349 2.226 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001082779760 797692852 /nfs/dbraw/zinc/69/28/52/797692852.db2.gz QDQQLZDATFXCEW-VHDGCEQUSA-N -1 1 349.479 2.053 20 0 EEADMM COC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000916766725 797878071 /nfs/dbraw/zinc/87/80/71/797878071.db2.gz MGLYFOVUZLVJNJ-INIZCTEOSA-N -1 1 343.379 2.243 20 0 EEADMM CNc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(Cl)c1 ZINC001168696310 798157757 /nfs/dbraw/zinc/15/77/57/798157757.db2.gz VPCLQFUSUBNJTF-AWEZNQCLSA-N -1 1 342.790 2.414 20 0 EEADMM Cc1csc(NCC[N-]S(=O)(=O)c2ccc(C(F)F)o2)n1 ZINC000917598760 798291290 /nfs/dbraw/zinc/29/12/90/798291290.db2.gz UJQYQAKZPCSKJS-UHFFFAOYSA-N -1 1 337.373 2.373 20 0 EEADMM O=C(NC1CCN(C/C(Cl)=C\Cl)CC1)c1ncccc1[O-] ZINC001002662962 798403857 /nfs/dbraw/zinc/40/38/57/798403857.db2.gz BUUFLQXXVUASLN-CSKARUKUSA-N -1 1 330.215 2.300 20 0 EEADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000821816281 798630947 /nfs/dbraw/zinc/63/09/47/798630947.db2.gz OUWZQBVYOPMEOJ-FZMZJTMJSA-N -1 1 331.368 2.175 20 0 EEADMM Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])oc1C ZINC001085178220 798759704 /nfs/dbraw/zinc/75/97/04/798759704.db2.gz RADFUUBNUPCKQM-ZIAGYGMSSA-N -1 1 344.415 2.223 20 0 EEADMM CN(C)c1nc(NC(=O)[C@H]2C[C@@H]2c2cccs2)c(N=O)c(=O)[n-]1 ZINC001177534295 799015322 /nfs/dbraw/zinc/01/53/22/799015322.db2.gz NBHKTVNFZPALBP-YUMQZZPRSA-N -1 1 333.373 2.450 20 0 EEADMM CCOc1cc(-c2noc(CNCCOC)n2)cc(Cl)c1[O-] ZINC000843216222 799019938 /nfs/dbraw/zinc/01/99/38/799019938.db2.gz AKDAXMHZWNVCDT-UHFFFAOYSA-N -1 1 327.768 2.230 20 0 EEADMM Cc1cnc(C)nc1NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001065839006 799617625 /nfs/dbraw/zinc/61/76/25/799617625.db2.gz OZNKHQVALTZRAI-GXTWGEPZSA-N -1 1 341.415 2.014 20 0 EEADMM C/C(=C\C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001065926570 799755967 /nfs/dbraw/zinc/75/59/67/799755967.db2.gz ZOXZRCXSEOXZLP-LHNRBYRGSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1ccc(CN2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])c(C)n1 ZINC001085562080 800787623 /nfs/dbraw/zinc/78/76/23/800787623.db2.gz CDXQCIWGCLWUOY-INIZCTEOSA-N -1 1 340.427 2.146 20 0 EEADMM O=C(C[C@H]1CCc2ccc(F)cc21)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001182596102 801261037 /nfs/dbraw/zinc/26/10/37/801261037.db2.gz QBAYCBOQQOVQLG-SECBINFHSA-N -1 1 327.319 2.256 20 0 EEADMM CCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001066506671 802815663 /nfs/dbraw/zinc/81/56/63/802815663.db2.gz HEBKTOHWOGXSCG-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001004763111 802827840 /nfs/dbraw/zinc/82/78/40/802827840.db2.gz JADJVGAYFYZPRE-HIFRSBDPSA-N -1 1 349.479 2.340 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H]2C[C@H]21 ZINC000804296725 803512106 /nfs/dbraw/zinc/51/21/06/803512106.db2.gz IGZJTKAQQARZRT-XJKSGUPXSA-N -1 1 338.411 2.496 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC[C@@H]1CCCO1 ZINC000787672821 807175881 /nfs/dbraw/zinc/17/58/81/807175881.db2.gz PYZZISCYCMETHK-LBPRGKRZSA-N -1 1 327.402 2.174 20 0 EEADMM CCC[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C(=O)OCC ZINC000790262249 808570237 /nfs/dbraw/zinc/57/02/37/808570237.db2.gz DXXZSXQUGODSCR-LBPRGKRZSA-N -1 1 337.420 2.323 20 0 EEADMM COC1(COC(=O)c2sccc2[N-]S(C)(=O)=O)CCCC1 ZINC000791340179 809186456 /nfs/dbraw/zinc/18/64/56/809186456.db2.gz YIWGFMCVLZNRSL-UHFFFAOYSA-N -1 1 333.431 2.236 20 0 EEADMM Cc1cccc2nc(N(C)[C@@H](C)CNC(=O)c3ncccc3[O-])oc21 ZINC001113574999 809273878 /nfs/dbraw/zinc/27/38/78/809273878.db2.gz KZURCTZBMLIACT-LBPRGKRZSA-N -1 1 340.383 2.492 20 0 EEADMM CC1(C)CC(=O)Nc2cccc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)c21 ZINC001170218274 809820161 /nfs/dbraw/zinc/82/01/61/809820161.db2.gz JSAAVVWTHVCXNT-UHFFFAOYSA-N -1 1 340.343 2.079 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC(F)(F)CC1 ZINC000794295946 810755521 /nfs/dbraw/zinc/75/55/21/810755521.db2.gz ZPLPTYAXYLADOU-UHFFFAOYSA-N -1 1 338.358 2.242 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc2cnn(C)c2c1 ZINC000794353281 810786845 /nfs/dbraw/zinc/78/68/45/810786845.db2.gz FLRKBYBYOJXZQT-UHFFFAOYSA-N -1 1 339.399 2.431 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000804475678 810876913 /nfs/dbraw/zinc/87/69/13/810876913.db2.gz SFZWNOOETAVUBU-XHDPSFHLSA-N -1 1 342.424 2.178 20 0 EEADMM Cc1cccc(-n2cc([O-])c(C(=O)O[C@@H](C)c3nncn3C)n2)c1C ZINC000805556550 811347900 /nfs/dbraw/zinc/34/79/00/811347900.db2.gz BDSYMUICWNLYMZ-LBPRGKRZSA-N -1 1 341.371 2.241 20 0 EEADMM CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cn[n-]n2)cc1 ZINC000805605323 811372050 /nfs/dbraw/zinc/37/20/50/811372050.db2.gz ICXJUVWHOIMZSL-LBPRGKRZSA-N -1 1 330.388 2.037 20 0 EEADMM COc1cc(Br)ccc1CCCOC(=O)c1cn[n-]n1 ZINC000805606008 811372502 /nfs/dbraw/zinc/37/25/02/811372502.db2.gz RACLBBPPFLEVMC-UHFFFAOYSA-N -1 1 340.177 2.365 20 0 EEADMM CCc1cc2oc(=O)cc(COC(=O)c3cn[n-]n3)c2cc1Cl ZINC000805607825 811413695 /nfs/dbraw/zinc/41/36/95/811413695.db2.gz RLTUXVNMDYSKKQ-UHFFFAOYSA-N -1 1 333.731 2.484 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@@H]3c3cccc(F)c3)ccnc1-2 ZINC000806491484 811879292 /nfs/dbraw/zinc/87/92/92/811879292.db2.gz LHHPZHDQIFALDS-OAHLLOKOSA-N -1 1 325.347 2.460 20 0 EEADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)Oc1cccc(F)c1 ZINC000806490566 811881402 /nfs/dbraw/zinc/88/14/02/811881402.db2.gz JZUOZGFIQXPRMU-NSHDSACASA-N -1 1 343.362 2.070 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806492106 811882179 /nfs/dbraw/zinc/88/21/79/811882179.db2.gz ABPPUFALJDXWAM-LLVKDONJSA-N -1 1 325.372 2.272 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCCc3ccccc3F)ccnc1-2 ZINC000806493581 811883373 /nfs/dbraw/zinc/88/33/73/811883373.db2.gz YZIAULHACYTOSS-UHFFFAOYSA-N -1 1 327.363 2.235 20 0 EEADMM CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1nn[n-]n1 ZINC001130972445 812249874 /nfs/dbraw/zinc/24/98/74/812249874.db2.gz XZISDSYGBDKPPL-INIZCTEOSA-N -1 1 347.382 2.170 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1 ZINC000808125166 812446302 /nfs/dbraw/zinc/44/63/02/812446302.db2.gz LWKIABCGMZVCNH-UHFFFAOYSA-N -1 1 331.349 2.360 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)cc1F ZINC000808128144 812448409 /nfs/dbraw/zinc/44/84/09/812448409.db2.gz GONKWLXFASQULT-UHFFFAOYSA-N -1 1 337.328 2.306 20 0 EEADMM CCCCCCN(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809066104 812955484 /nfs/dbraw/zinc/95/54/84/812955484.db2.gz BRNMOGFJGIQOKV-UHFFFAOYSA-N -1 1 340.489 2.453 20 0 EEADMM Cc1cc([C@@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C(=O)[O-])ccc1F ZINC000797725366 939188075 /nfs/dbraw/zinc/18/80/75/939188075.db2.gz UAJRTPSLNVADRC-DZGCQCFKSA-N -1 1 346.362 2.360 20 0 EEADMM Brc1ccccc1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573279924 946650251 /nfs/dbraw/zinc/65/02/51/946650251.db2.gz NOKNFIHROHAPCY-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccccc1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573279924 946650261 /nfs/dbraw/zinc/65/02/61/946650261.db2.gz NOKNFIHROHAPCY-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1CO ZINC000825643244 947268175 /nfs/dbraw/zinc/26/81/75/947268175.db2.gz JFWMFEWWRAXHHP-UHFFFAOYSA-N -1 1 345.384 2.072 20 0 EEADMM CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1CO ZINC000825643244 947268185 /nfs/dbraw/zinc/26/81/85/947268185.db2.gz JFWMFEWWRAXHHP-UHFFFAOYSA-N -1 1 345.384 2.072 20 0 EEADMM Cc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1OCCO ZINC000826271082 947784956 /nfs/dbraw/zinc/78/49/56/947784956.db2.gz BFQNGUDMHVMPED-UHFFFAOYSA-N -1 1 331.401 2.220 20 0 EEADMM Cc1nc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1[C@@H](C)O ZINC000826326483 947952273 /nfs/dbraw/zinc/95/22/73/947952273.db2.gz RESUYGZNISYJIU-SECBINFHSA-N -1 1 345.794 2.284 20 0 EEADMM Cc1nc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1[C@@H](C)O ZINC000826326483 947952278 /nfs/dbraw/zinc/95/22/78/947952278.db2.gz RESUYGZNISYJIU-SECBINFHSA-N -1 1 345.794 2.284 20 0 EEADMM OCc1ccc(CCNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826510347 948430327 /nfs/dbraw/zinc/43/03/27/948430327.db2.gz LWTNOCAFVYAMPG-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM 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COCc1nc(COC(=O)c2ccc(Br)c([O-])c2)no1 ZINC000759590754 577646107 /nfs/dbraw/zinc/64/61/07/577646107.db2.gz FKQKKUDMDNFSMQ-UHFFFAOYSA-N -1 1 343.133 2.041 20 0 EEADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c1 ZINC000760321066 577660644 /nfs/dbraw/zinc/66/06/44/577660644.db2.gz QIHYPQZGSBTPLU-UHFFFAOYSA-N -1 1 337.401 2.414 20 0 EEADMM O=C(NCc1nc(Cc2ccccc2)no1)c1cc(F)ccc1[O-] ZINC000751062975 577747714 /nfs/dbraw/zinc/74/77/14/577747714.db2.gz IPLRRRCKAFUVNI-UHFFFAOYSA-N -1 1 327.315 2.435 20 0 EEADMM CCc1nn(C)c(CC)c1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000755210130 577821780 /nfs/dbraw/zinc/82/17/80/577821780.db2.gz MNVKRJDYWLSWIY-UHFFFAOYSA-N -1 1 345.447 2.402 20 0 EEADMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cnn(-c2ccccc2)n1 ZINC000756727674 577849416 /nfs/dbraw/zinc/84/94/16/577849416.db2.gz VFWIWGLMCZYEBL-UHFFFAOYSA-N -1 1 349.379 2.433 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOCC1CC1 ZINC000744829605 577903897 /nfs/dbraw/zinc/90/38/97/577903897.db2.gz RWKHIRQXSVRHKK-UHFFFAOYSA-N -1 1 341.429 2.422 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@](C)(O)c1ccsc1 ZINC000748554304 577963920 /nfs/dbraw/zinc/96/39/20/577963920.db2.gz ZDOUQOLRPXIYCO-MRXNPFEDSA-N -1 1 335.429 2.313 20 0 EEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1F ZINC000749144796 577971756 /nfs/dbraw/zinc/97/17/56/577971756.db2.gz YQWOEGPBCVAZIX-UHFFFAOYSA-N -1 1 341.364 2.411 20 0 EEADMM Cc1ccc(N2CC[C@@H](N3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000738612774 578021220 /nfs/dbraw/zinc/02/12/20/578021220.db2.gz DGTKVGBKNZRYIM-JKSUJKDBSA-N -1 1 328.412 2.287 20 0 EEADMM Cc1oc(CN(C)CCn2cc(Br)cn2)cc1C(=O)[O-] ZINC000738967078 578032996 /nfs/dbraw/zinc/03/29/96/578032996.db2.gz MSYKFWOEQSNSGX-UHFFFAOYSA-N -1 1 342.193 2.377 20 0 EEADMM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC000741299935 578116526 /nfs/dbraw/zinc/11/65/26/578116526.db2.gz QBHKZILFWNIZBQ-ZIAGYGMSSA-N -1 1 339.819 2.438 20 0 EEADMM CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000735680340 578163431 /nfs/dbraw/zinc/16/34/31/578163431.db2.gz UQAQGBPWNLACFJ-UHFFFAOYSA-N -1 1 349.822 2.417 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735760812 578166999 /nfs/dbraw/zinc/16/69/99/578166999.db2.gz HMZQSGJTODAXNT-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735760812 578167000 /nfs/dbraw/zinc/16/70/00/578167000.db2.gz HMZQSGJTODAXNT-LLVKDONJSA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)CC[C@@](C)(O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000735798388 578168378 /nfs/dbraw/zinc/16/83/78/578168378.db2.gz WGBLKDRDWDHEIX-QGZVFWFLSA-N -1 1 341.419 2.409 20 0 EEADMM CC(C)CC[C@@](C)(O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000735798388 578168379 /nfs/dbraw/zinc/16/83/79/578168379.db2.gz WGBLKDRDWDHEIX-QGZVFWFLSA-N -1 1 341.419 2.409 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276025 578192981 /nfs/dbraw/zinc/19/29/81/578192981.db2.gz XXERTFICUIWTPS-RISCZKNCSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276025 578192982 /nfs/dbraw/zinc/19/29/82/578192982.db2.gz XXERTFICUIWTPS-RISCZKNCSA-N -1 1 331.376 2.014 20 0 EEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1nc2c(s1)CCCC2 ZINC000736466272 578205950 /nfs/dbraw/zinc/20/59/50/578205950.db2.gz UKAOIHLVNYIEPQ-UHFFFAOYSA-N -1 1 325.434 2.146 20 0 EEADMM C[C@H](CN(C)CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736572830 578212425 /nfs/dbraw/zinc/21/24/25/578212425.db2.gz SHMSKWOLTMDAEJ-GFCCVEGCSA-N -1 1 347.440 2.444 20 0 EEADMM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736686201 578218011 /nfs/dbraw/zinc/21/80/11/578218011.db2.gz OPIDAUJARJYSHQ-AWEZNQCLSA-N -1 1 338.371 2.394 20 0 EEADMM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736686201 578218012 /nfs/dbraw/zinc/21/80/12/578218012.db2.gz OPIDAUJARJYSHQ-AWEZNQCLSA-N -1 1 338.371 2.394 20 0 EEADMM C[C@H](c1ccccc1Br)N(C)CCC(=O)NCC(=O)[O-] ZINC000736724437 578220078 /nfs/dbraw/zinc/22/00/78/578220078.db2.gz LLQUBZWAMQLLRY-SNVBAGLBSA-N -1 1 343.221 2.033 20 0 EEADMM CC1(C)CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C(C)(C)CO1 ZINC000736736014 578221217 /nfs/dbraw/zinc/22/12/17/578221217.db2.gz RUWZZUPHYUDTAK-AWEZNQCLSA-N -1 1 337.416 2.014 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1nccnc1-c1nnn[n-]1 ZINC000736798385 578224281 /nfs/dbraw/zinc/22/42/81/578224281.db2.gz YEAPGFIHHADTLM-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1nccnc1-c1nn[n-]n1 ZINC000736798385 578224282 /nfs/dbraw/zinc/22/42/82/578224282.db2.gz YEAPGFIHHADTLM-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CC[C@@H]1CN(CCn2cccn2)CCN1Cc1cc(C(=O)[O-])oc1C ZINC000736942936 578230069 /nfs/dbraw/zinc/23/00/69/578230069.db2.gz GVBPNQIEGSHGCW-MRXNPFEDSA-N -1 1 346.431 2.079 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)s1 ZINC000737246327 578245829 /nfs/dbraw/zinc/24/58/29/578245829.db2.gz SPLMAEOMUNUJJL-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)s1 ZINC000737246327 578245830 /nfs/dbraw/zinc/24/58/30/578245830.db2.gz SPLMAEOMUNUJJL-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cccc(C)c1OCCOC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737388576 578254306 /nfs/dbraw/zinc/25/43/06/578254306.db2.gz FXNKDAXCDJTWLH-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cc1cccc(C)c1OCCOC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737388576 578254307 /nfs/dbraw/zinc/25/43/07/578254307.db2.gz FXNKDAXCDJTWLH-UHFFFAOYSA-N -1 1 339.355 2.114 20 0 EEADMM Cn1cc(C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cn1 ZINC000737604930 578266443 /nfs/dbraw/zinc/26/64/43/578266443.db2.gz QYOHISBLNYSQJC-UHFFFAOYSA-N -1 1 344.810 2.033 20 0 EEADMM Cn1cc(C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cn1 ZINC000737604930 578266444 /nfs/dbraw/zinc/26/64/44/578266444.db2.gz QYOHISBLNYSQJC-UHFFFAOYSA-N -1 1 344.810 2.033 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000737777300 578269432 /nfs/dbraw/zinc/26/94/32/578269432.db2.gz TZIWSYCMDCHNMK-UONOGXRCSA-N -1 1 345.366 2.243 20 0 EEADMM COc1ccc(NC(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738025171 578277012 /nfs/dbraw/zinc/27/70/12/578277012.db2.gz GLAGVXACLJMDNS-WFASDCNBSA-N -1 1 332.400 2.209 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000819357569 597041514 /nfs/dbraw/zinc/04/15/14/597041514.db2.gz FKUXFHHCMKKEAQ-GJZGRUSLSA-N -1 1 349.431 2.313 20 0 EEADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547854 599309906 /nfs/dbraw/zinc/30/99/06/599309906.db2.gz PTPTVGGICRBLCM-IZZDOVSWSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547854 599309909 /nfs/dbraw/zinc/30/99/09/599309909.db2.gz PTPTVGGICRBLCM-IZZDOVSWSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548296 599310012 /nfs/dbraw/zinc/31/00/12/599310012.db2.gz VWJVSAGDYJHKSR-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548296 599310014 /nfs/dbraw/zinc/31/00/14/599310014.db2.gz VWJVSAGDYJHKSR-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM CC(C)(C)OC(=O)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000819928867 599572861 /nfs/dbraw/zinc/57/28/61/599572861.db2.gz YZLWVVFGYVUOLQ-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)(C)OC(=O)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000819928867 599572863 /nfs/dbraw/zinc/57/28/63/599572863.db2.gz YZLWVVFGYVUOLQ-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC[C@@H](C)[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000328349375 599778050 /nfs/dbraw/zinc/77/80/50/599778050.db2.gz RMDYZXUGGHJHKT-KCXAZCMYSA-N -1 1 329.400 2.352 20 0 EEADMM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccoc1 ZINC000821165381 607447301 /nfs/dbraw/zinc/44/73/01/607447301.db2.gz QFXCRZFZMYQVJX-UHFFFAOYSA-N -1 1 344.375 2.130 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000238191149 600696863 /nfs/dbraw/zinc/69/68/63/600696863.db2.gz DBLSRBQMTUWCCH-GFCCVEGCSA-N -1 1 331.397 2.109 20 0 EEADMM CN1CCO[C@@H](CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000830963213 600748660 /nfs/dbraw/zinc/74/86/60/600748660.db2.gz AAHKNXPMPUXLCG-GWCFXTLKSA-N -1 1 333.215 2.039 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1)C(=O)[O-] ZINC000826779870 600774701 /nfs/dbraw/zinc/77/47/01/600774701.db2.gz OEZKMISBHOADCC-SNVBAGLBSA-N -1 1 349.412 2.101 20 0 EEADMM C[C@](NC(=O)c1ccc(Nc2ccncc2)cc1)(C(=O)[O-])C1CC1 ZINC000827703365 600962408 /nfs/dbraw/zinc/96/24/08/600962408.db2.gz LRAQOGJBEJJYMS-GOSISDBHSA-N -1 1 325.368 2.230 20 0 EEADMM c1csc([C@@H]2CCCCN2Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826515861 607493272 /nfs/dbraw/zinc/49/32/72/607493272.db2.gz NSNYOLFXGKXELH-ZDUSSCGKSA-N -1 1 327.417 2.445 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1O ZINC000832973276 601604753 /nfs/dbraw/zinc/60/47/53/601604753.db2.gz UGYSHBQBVBJMCQ-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(F)cc1 ZINC000833170035 601850929 /nfs/dbraw/zinc/85/09/29/601850929.db2.gz NTNPSJUZXDOFMM-INIZCTEOSA-N -1 1 349.383 2.071 20 0 EEADMM C[C@H](CN(Cc1ccccc1)C(=O)CN1CCC(C)CC1)C(=O)[O-] ZINC000828285679 602297426 /nfs/dbraw/zinc/29/74/26/602297426.db2.gz ONPROVCRRZWSQH-MRXNPFEDSA-N -1 1 332.444 2.468 20 0 EEADMM CC1CCN(CC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC000828285089 602349566 /nfs/dbraw/zinc/34/95/66/602349566.db2.gz KTFRMPPYSDAWFS-UHFFFAOYSA-N -1 1 338.835 2.485 20 0 EEADMM CCC(C)(CC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044891 607615005 /nfs/dbraw/zinc/61/50/05/607615005.db2.gz UZVBEFAXMBQEPW-UHFFFAOYSA-N -1 1 343.840 2.377 20 0 EEADMM CCC(C)(CC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044891 607615007 /nfs/dbraw/zinc/61/50/07/607615007.db2.gz UZVBEFAXMBQEPW-UHFFFAOYSA-N -1 1 343.840 2.377 20 0 EEADMM O=C([O-])N1CCC(NC(=O)c2cn[nH]c2-c2ccccc2F)CC1 ZINC000831598907 604171623 /nfs/dbraw/zinc/17/16/23/604171623.db2.gz QDNRROHJFVUZHO-UHFFFAOYSA-N -1 1 332.335 2.088 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cc1F ZINC000833147401 604297060 /nfs/dbraw/zinc/29/70/60/604297060.db2.gz CBBRBMSEDDMOPI-UHFFFAOYSA-N -1 1 331.278 2.469 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000832917568 604497622 /nfs/dbraw/zinc/49/76/22/604497622.db2.gz YYGFPMDQLUVNEA-BEFAXECRSA-N -1 1 346.427 2.259 20 0 EEADMM COCC1(C)CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000833722801 605020341 /nfs/dbraw/zinc/02/03/41/605020341.db2.gz KJHKZAUDBFSGMZ-UHFFFAOYSA-N -1 1 334.416 2.380 20 0 EEADMM C[C@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cn2)C[C@H](C)O1 ZINC000833635704 605074022 /nfs/dbraw/zinc/07/40/22/605074022.db2.gz WFOUQKPIFAYEQM-STQMWFEESA-N -1 1 345.399 2.276 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833535668 605114244 /nfs/dbraw/zinc/11/42/44/605114244.db2.gz LLZROMKYGGWEFW-GJZGRUSLSA-N -1 1 340.464 2.122 20 0 EEADMM CCc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833670326 605115476 /nfs/dbraw/zinc/11/54/76/605115476.db2.gz MJFNMODDDRWABW-OAHLLOKOSA-N -1 1 332.444 2.189 20 0 EEADMM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833515349 605117388 /nfs/dbraw/zinc/11/73/88/605117388.db2.gz QLGCXUZTOBLDIB-BBRMVZONSA-N -1 1 329.400 2.181 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000833624458 605162353 /nfs/dbraw/zinc/16/23/53/605162353.db2.gz VAMXRCXXAKXKGC-KQIUPUNMSA-N -1 1 341.411 2.189 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)nc1Cl ZINC000833626913 605162527 /nfs/dbraw/zinc/16/25/27/605162527.db2.gz SDZZQIJGIVAZGZ-VIFPVBQESA-N -1 1 346.214 2.009 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000833620658 605168254 /nfs/dbraw/zinc/16/82/54/605168254.db2.gz LWBDKTFXZPEWMJ-MGPUTAFESA-N -1 1 344.455 2.189 20 0 EEADMM C[C@H]1CN(C(=O)[C@]2(C)CCCc3ccccc32)CCN1CCC(=O)[O-] ZINC000833618820 605276550 /nfs/dbraw/zinc/27/65/50/605276550.db2.gz QZPNDJIUWMLNON-MGPUTAFESA-N -1 1 344.455 2.288 20 0 EEADMM C/C(=C/c1ccc(C)cc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000833386057 605456413 /nfs/dbraw/zinc/45/64/13/605456413.db2.gz WJWQUBLMINQSJN-IRVMHKCDSA-N -1 1 330.428 2.406 20 0 EEADMM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824392498 607764663 /nfs/dbraw/zinc/76/46/63/607764663.db2.gz OSOUWHRSDDPEBT-BDAKNGLRSA-N -1 1 349.441 2.232 20 0 EEADMM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824392498 607764664 /nfs/dbraw/zinc/76/46/64/607764664.db2.gz OSOUWHRSDDPEBT-BDAKNGLRSA-N -1 1 349.441 2.232 20 0 EEADMM COCCOc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1OC ZINC000821693070 606133013 /nfs/dbraw/zinc/13/30/13/606133013.db2.gz PRZPMEIPGLYYSK-UHFFFAOYSA-N -1 1 345.359 2.106 20 0 EEADMM COCCOc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1OC ZINC000821693070 606133014 /nfs/dbraw/zinc/13/30/14/606133014.db2.gz PRZPMEIPGLYYSK-UHFFFAOYSA-N -1 1 345.359 2.106 20 0 EEADMM CC[C@](C)(NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820853026 606158195 /nfs/dbraw/zinc/15/81/95/606158195.db2.gz JLPWLSNZMNIMBY-INIZCTEOSA-N -1 1 340.391 2.047 20 0 EEADMM CC[C@](C)(NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820853026 606158197 /nfs/dbraw/zinc/15/81/97/606158197.db2.gz JLPWLSNZMNIMBY-INIZCTEOSA-N -1 1 340.391 2.047 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-n2ccnc2)cc1 ZINC000823294484 606194380 /nfs/dbraw/zinc/19/43/80/606194380.db2.gz CGXMVAFCKQLXCX-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823289141 606196065 /nfs/dbraw/zinc/19/60/65/606196065.db2.gz CLRYCHBBTBAYLY-STQMWFEESA-N -1 1 339.330 2.454 20 0 EEADMM CCN(CCc1ccccn1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821214833 606471058 /nfs/dbraw/zinc/47/10/58/606471058.db2.gz MUFANWAPZHLCDH-UHFFFAOYSA-N -1 1 329.795 2.379 20 0 EEADMM CCN(CCc1ccccn1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821214833 606471060 /nfs/dbraw/zinc/47/10/60/606471060.db2.gz MUFANWAPZHLCDH-UHFFFAOYSA-N -1 1 329.795 2.379 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821824876 606487327 /nfs/dbraw/zinc/48/73/27/606487327.db2.gz PIXMVJXVTCFKBW-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821824876 606487328 /nfs/dbraw/zinc/48/73/28/606487328.db2.gz PIXMVJXVTCFKBW-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823436433 606650065 /nfs/dbraw/zinc/65/00/65/606650065.db2.gz VKIOYGAZYOMDTB-KGLIPLIRSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000823436433 606650066 /nfs/dbraw/zinc/65/00/66/606650066.db2.gz VKIOYGAZYOMDTB-KGLIPLIRSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H](c2cccs2)C1 ZINC000823484246 606759284 /nfs/dbraw/zinc/75/92/84/606759284.db2.gz UYSQDGGFLIZWHA-SECBINFHSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H](c2cccs2)C1 ZINC000823484246 606759286 /nfs/dbraw/zinc/75/92/86/606759286.db2.gz UYSQDGGFLIZWHA-SECBINFHSA-N -1 1 347.425 2.203 20 0 EEADMM O=C(/C=C/SCc1ccco1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822923551 607132745 /nfs/dbraw/zinc/13/27/45/607132745.db2.gz SWJWSSKYVBLORA-QPJJXVBHSA-N -1 1 343.368 2.345 20 0 EEADMM O=C(/C=C/SCc1ccco1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822923551 607132746 /nfs/dbraw/zinc/13/27/46/607132746.db2.gz SWJWSSKYVBLORA-QPJJXVBHSA-N -1 1 343.368 2.345 20 0 EEADMM Cc1ccc(F)c(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000822240059 607158579 /nfs/dbraw/zinc/15/85/79/607158579.db2.gz QKSCLUZTLVTDPR-UHFFFAOYSA-N -1 1 343.318 2.037 20 0 EEADMM CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000825339156 607988859 /nfs/dbraw/zinc/98/88/59/607988859.db2.gz PCEVNRWBYQODMO-UHFFFAOYSA-N -1 1 341.375 2.066 20 0 EEADMM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000825339156 607988860 /nfs/dbraw/zinc/98/88/60/607988860.db2.gz PCEVNRWBYQODMO-UHFFFAOYSA-N -1 1 341.375 2.066 20 0 EEADMM COc1cc(C)sc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826178987 607998055 /nfs/dbraw/zinc/99/80/55/607998055.db2.gz TWYRXKKBUNQRIQ-UHFFFAOYSA-N -1 1 331.357 2.203 20 0 EEADMM COC1CCC(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000826144923 607999292 /nfs/dbraw/zinc/99/92/92/607999292.db2.gz VUUFPSNTMWAZPJ-UHFFFAOYSA-N -1 1 331.376 2.106 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825146640 608231960 /nfs/dbraw/zinc/23/19/60/608231960.db2.gz DZZAXMJIXQEJNQ-WUJLRWPWSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825146640 608231962 /nfs/dbraw/zinc/23/19/62/608231962.db2.gz DZZAXMJIXQEJNQ-WUJLRWPWSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825192772 608279988 /nfs/dbraw/zinc/27/99/88/608279988.db2.gz IDQVIOSEZXYDJA-DTWKUNHWSA-N -1 1 348.432 2.092 20 0 EEADMM Fc1ccc(SCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826376041 608390688 /nfs/dbraw/zinc/39/06/88/608390688.db2.gz MIXQSKKEAJMFPN-UHFFFAOYSA-N -1 1 331.380 2.390 20 0 EEADMM Fc1ccc(SCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826376041 608390690 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/nfs/dbraw/zinc/12/48/84/1248124884.db2.gz CNCGLCSFAHWJCQ-LBPRGKRZSA-N -1 1 339.852 2.315 20 0 EEADMM Cc1cc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001058007073 1248253986 /nfs/dbraw/zinc/25/39/86/1248253986.db2.gz PFKHJKCRFCZFOR-KBPBESRZSA-N -1 1 341.415 2.381 20 0 EEADMM Cc1nccc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001058007547 1248257055 /nfs/dbraw/zinc/25/70/55/1248257055.db2.gz WQHZMSYILALQIW-OCCSQVGLSA-N -1 1 341.415 2.381 20 0 EEADMM CCc1nc(C)cc(N[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069065059 1252170654 /nfs/dbraw/zinc/17/06/54/1252170654.db2.gz GSWCGJGREXNXHM-CHWSQXEVSA-N -1 1 341.415 2.163 20 0 EEADMM C[C@H]1C[C@@H](Nc2ncnc3ccccc32)CN1C(=O)c1ncccc1[O-] ZINC001069066392 1252172342 /nfs/dbraw/zinc/17/23/42/1252172342.db2.gz WAMSEIRHRBGYMK-QWHCGFSZSA-N -1 1 349.394 2.446 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)CC2CCC2)CC1 ZINC001069278054 1252646909 /nfs/dbraw/zinc/64/69/09/1252646909.db2.gz VRDTWNQBLUMWNR-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 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1285612483 /nfs/dbraw/zinc/61/24/83/1285612483.db2.gz YZCIEFKQXQSUAS-UHFFFAOYSA-N -1 1 344.549 2.355 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867332540 1285885155 /nfs/dbraw/zinc/88/51/55/1285885155.db2.gz ZZQFMPZKRMVGGB-RKDXNWHRSA-N -1 1 336.255 2.277 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCC(CC)(NC(=O)c2ncccc2[O-])CC1 ZINC001069637638 1285953231 /nfs/dbraw/zinc/95/32/31/1285953231.db2.gz MMIBWDLVFYGSTK-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867387063 1289503571 /nfs/dbraw/zinc/50/35/71/1289503571.db2.gz YLWUEBAVCCTXAU-PCIORBNZSA-N -1 1 334.438 2.161 20 0 EEADMM O=S(=O)([N-]C[C@@H]1COCO1)c1c(Cl)cc(Cl)cc1Cl ZINC000867397886 1289642351 /nfs/dbraw/zinc/64/23/51/1289642351.db2.gz PVGPEBKCRXPPHE-SSDOTTSWSA-N -1 1 346.619 2.298 20 0 EEADMM COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867400527 1289694626 /nfs/dbraw/zinc/69/46/26/1289694626.db2.gz BZWXYRKPVLMPBQ-MRVPVSSYSA-N -1 1 327.233 2.339 20 0 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CC(C)(C)c1cccc(OCCNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001609080948 1351833533 /nfs/dbraw/zinc/83/35/33/1351833533.db2.gz JENDSZQRTYSYKF-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001609080948 1351833535 /nfs/dbraw/zinc/83/35/35/1351833535.db2.gz JENDSZQRTYSYKF-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001609093920 1351839781 /nfs/dbraw/zinc/83/97/81/1351839781.db2.gz WKPFSWZCGMMVED-RYUDHWBXSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001609093540 1351839862 /nfs/dbraw/zinc/83/98/62/1351839862.db2.gz GYNKEHIJMGNSHO-RYUDHWBXSA-N -1 1 347.394 2.329 20 0 EEADMM CC(C)C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001609093540 1351839867 /nfs/dbraw/zinc/83/98/67/1351839867.db2.gz GYNKEHIJMGNSHO-RYUDHWBXSA-N -1 1 347.394 2.329 20 0 EEADMM C[C@H](CCc1ccco1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609111999 1351848214 /nfs/dbraw/zinc/84/82/14/1351848214.db2.gz PCZBPSAZWIRJCJ-SNVBAGLBSA-N -1 1 329.335 2.350 20 0 EEADMM C[C@H](CCc1ccco1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609111999 1351848219 /nfs/dbraw/zinc/84/82/19/1351848219.db2.gz PCZBPSAZWIRJCJ-SNVBAGLBSA-N -1 1 329.335 2.350 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001609127163 1351853260 /nfs/dbraw/zinc/85/32/60/1351853260.db2.gz WYHWQTYMNWSIEA-NWDGAFQWSA-N -1 1 349.398 2.040 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001609127163 1351853271 /nfs/dbraw/zinc/85/32/71/1351853271.db2.gz WYHWQTYMNWSIEA-NWDGAFQWSA-N -1 1 349.398 2.040 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609152652 1351864615 /nfs/dbraw/zinc/86/46/15/1351864615.db2.gz HVHFEFUHLQVHBE-CBAPKCEASA-N -1 1 343.284 2.419 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609152652 1351864618 /nfs/dbraw/zinc/86/46/18/1351864618.db2.gz HVHFEFUHLQVHBE-CBAPKCEASA-N -1 1 343.284 2.419 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)CCO1 ZINC001609189262 1351882724 /nfs/dbraw/zinc/88/27/24/1351882724.db2.gz ODBHEJNRGZOKJH-JSGCOSHPSA-N -1 1 347.419 2.482 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)CCO1 ZINC001609189262 1351882732 /nfs/dbraw/zinc/88/27/32/1351882732.db2.gz ODBHEJNRGZOKJH-JSGCOSHPSA-N -1 1 347.419 2.482 20 0 EEADMM CCc1cnc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)s1 ZINC001609253909 1351910790 /nfs/dbraw/zinc/91/07/90/1351910790.db2.gz YJMVSYMRRIEGFH-FNORWQNLSA-N -1 1 329.389 2.250 20 0 EEADMM CO[C@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313326 1351929377 /nfs/dbraw/zinc/92/93/77/1351929377.db2.gz ICTZRPZOTSDURN-QWRGUYRKSA-N -1 1 334.811 2.309 20 0 EEADMM CO[C@H]1C[C@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313326 1351929378 /nfs/dbraw/zinc/92/93/78/1351929378.db2.gz ICTZRPZOTSDURN-QWRGUYRKSA-N -1 1 334.811 2.309 20 0 EEADMM CO[C@@H]1C[C@H](N(C)c2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313316 1351929811 /nfs/dbraw/zinc/92/98/11/1351929811.db2.gz IBIBHUDXFJYSOC-JGVFFNPUSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@@H]1C[C@H](N(C)c2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313316 1351929813 /nfs/dbraw/zinc/92/98/13/1351929813.db2.gz IBIBHUDXFJYSOC-JGVFFNPUSA-N -1 1 340.840 2.370 20 0 EEADMM COCCCCN(Cc1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001609323048 1351933756 /nfs/dbraw/zinc/93/37/56/1351933756.db2.gz YULOLOLRWSOWOI-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM COCCCCN(Cc1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001609323048 1351933759 /nfs/dbraw/zinc/93/37/59/1351933759.db2.gz YULOLOLRWSOWOI-UHFFFAOYSA-N -1 1 339.403 2.090 20 0 EEADMM COc1cc(F)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1OC ZINC001609345025 1351940241 /nfs/dbraw/zinc/94/02/41/1351940241.db2.gz DSLGWDQISAZADK-UHFFFAOYSA-N -1 1 347.306 2.177 20 0 EEADMM COc1cc(F)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1OC ZINC001609345025 1351940242 /nfs/dbraw/zinc/94/02/42/1351940242.db2.gz DSLGWDQISAZADK-UHFFFAOYSA-N -1 1 347.306 2.177 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCC(C)C ZINC001609377249 1351951131 /nfs/dbraw/zinc/95/11/31/1351951131.db2.gz BGXVDQXVYJRLJN-UHFFFAOYSA-N -1 1 346.435 2.021 20 0 EEADMM Cc1cc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001609405816 1351963739 /nfs/dbraw/zinc/96/37/39/1351963739.db2.gz ZHUMFHBRQYQDDZ-FVQBIDKESA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001609405816 1351963742 /nfs/dbraw/zinc/96/37/42/1351963742.db2.gz ZHUMFHBRQYQDDZ-FVQBIDKESA-N -1 1 328.420 2.090 20 0 EEADMM Cc1ccn(CN2CCC[C@@H]2c2ccccc2)c(=O)c1-c1nnn[n-]1 ZINC001609438124 1351976669 /nfs/dbraw/zinc/97/66/69/1351976669.db2.gz RQCMGLIOMJACPI-OAHLLOKOSA-N -1 1 336.399 2.131 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cnc(Cl)cn2)n1 ZINC001609449291 1351982516 /nfs/dbraw/zinc/98/25/16/1351982516.db2.gz WDSOXACQKQIQJF-UHFFFAOYSA-N -1 1 334.796 2.009 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H](C)c2cccnc2)c1-c1nnn[n-]1 ZINC001609465706 1351987663 /nfs/dbraw/zinc/98/76/63/1351987663.db2.gz YQSLRLWQNQLLBN-MRVPVSSYSA-N -1 1 329.389 2.159 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H](C)c2cccnc2)c1-c1nn[n-]n1 ZINC001609465706 1351987665 /nfs/dbraw/zinc/98/76/65/1351987665.db2.gz YQSLRLWQNQLLBN-MRVPVSSYSA-N -1 1 329.389 2.159 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCc2sccc2C1 ZINC001609467015 1351988656 /nfs/dbraw/zinc/98/86/56/1351988656.db2.gz RAAFSSSALXTIGK-UHFFFAOYSA-N -1 1 329.385 2.418 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCc2sccc2C1 ZINC001609467015 1351988659 /nfs/dbraw/zinc/98/86/59/1351988659.db2.gz RAAFSSSALXTIGK-UHFFFAOYSA-N -1 1 329.385 2.418 20 0 EEADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609545473 1352011898 /nfs/dbraw/zinc/01/18/98/1352011898.db2.gz DCKFWNXAHUYYSJ-WDEREUQCSA-N -1 1 346.822 2.471 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545703 1352011974 /nfs/dbraw/zinc/01/19/74/1352011974.db2.gz LYNOBVLJUHFLFE-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545703 1352011976 /nfs/dbraw/zinc/01/19/76/1352011976.db2.gz LYNOBVLJUHFLFE-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609545213 1352011484 /nfs/dbraw/zinc/01/14/84/1352011484.db2.gz PCLKCQJVVYWBAA-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609545213 1352011485 /nfs/dbraw/zinc/01/14/85/1352011485.db2.gz PCLKCQJVVYWBAA-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC12CCSCC2 ZINC001609561302 1352016550 /nfs/dbraw/zinc/01/65/50/1352016550.db2.gz VNNLQTAHWSJCEK-SNVBAGLBSA-N -1 1 331.401 2.044 20 0 EEADMM O=C(NCCCc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609548350 1352012305 /nfs/dbraw/zinc/01/23/05/1352012305.db2.gz DHHNDKXWQXZKOZ-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609547915 1352012639 /nfs/dbraw/zinc/01/26/39/1352012639.db2.gz ZYATZSSUIIIYGW-SMDDNHRTSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609547915 1352012646 /nfs/dbraw/zinc/01/26/46/1352012646.db2.gz ZYATZSSUIIIYGW-SMDDNHRTSA-N -1 1 347.394 2.067 20 0 EEADMM CN(C(=O)c1c2c(sc1-n1cccc1)CSCC2)c1nn[n-]n1 ZINC001332196119 1335760151 /nfs/dbraw/zinc/76/01/51/1335760151.db2.gz ORTYPCPQLFPCGC-UHFFFAOYSA-N -1 1 346.441 2.118 20 0 EEADMM c1nn(-c2ccccc2)cc1CCNc1ccnc(-c2nnn[n-]2)c1 ZINC001609616295 1352039942 /nfs/dbraw/zinc/03/99/42/1352039942.db2.gz CNVURPXIPUWGJK-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1nn(-c2ccccc2)cc1CCNc1ccnc(-c2nn[n-]n2)c1 ZINC001609616295 1352039946 /nfs/dbraw/zinc/03/99/46/1352039946.db2.gz CNVURPXIPUWGJK-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001337170747 1336656279 /nfs/dbraw/zinc/65/62/79/1336656279.db2.gz SPDUADFWQDERDK-IUCAKERBSA-N -1 1 339.244 2.482 20 0 EEADMM CC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CCCC1 ZINC001609928035 1352122301 /nfs/dbraw/zinc/12/23/01/1352122301.db2.gz HGAPCRBLZHLBTJ-ZFWWWQNUSA-N -1 1 325.453 2.146 20 0 EEADMM COC(=O)C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC001342184977 1337310788 /nfs/dbraw/zinc/31/07/88/1337310788.db2.gz QPAAKHHHFHMXGL-INIZCTEOSA-N -1 1 341.363 2.304 20 0 EEADMM CCCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2C)cc1 ZINC001609984692 1352134450 /nfs/dbraw/zinc/13/44/50/1352134450.db2.gz FOJYWPVGOCGAKC-UHFFFAOYSA-N -1 1 337.401 2.029 20 0 EEADMM O=C(c1cc2c(cncc2Cl)s1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347975402 1337529270 /nfs/dbraw/zinc/52/92/70/1337529270.db2.gz SSBFZJDSXVQTCE-ZETCQYMHSA-N -1 1 334.792 2.093 20 0 EEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001610017236 1352141989 /nfs/dbraw/zinc/14/19/89/1352141989.db2.gz HRMGMLXDQYCARX-CHWSQXEVSA-N -1 1 339.363 2.066 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N2CCSC[C@@H](C(=O)[O-])C2)cc1 ZINC001610063788 1352153526 /nfs/dbraw/zinc/15/35/26/1352153526.db2.gz TWZWMQUBFWOSGC-JSGCOSHPSA-N -1 1 336.457 2.326 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@H](C(=O)[O-])C1 ZINC001610137266 1352170210 /nfs/dbraw/zinc/17/02/10/1352170210.db2.gz UFVZVWZLFFSKKC-LLVKDONJSA-N -1 1 334.397 2.097 20 0 EEADMM COc1ccc([C@@H](NCc2ccc(F)nc2C)C(=O)[O-])c(OC)c1 ZINC001610325721 1352206045 /nfs/dbraw/zinc/20/60/45/1352206045.db2.gz TWUZYTMXQSIRCA-MRXNPFEDSA-N -1 1 334.347 2.462 20 0 EEADMM COc1cccc2c1n[nH]c2C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001610360506 1352210805 /nfs/dbraw/zinc/21/08/05/1352210805.db2.gz QXLKVKNPIZRSLY-UHFFFAOYSA-N -1 1 341.323 2.287 20 0 EEADMM Cc1nnc(N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1CC(C)C ZINC000848480968 1338706006 /nfs/dbraw/zinc/70/60/06/1338706006.db2.gz TYCRJEOUKKVPJZ-ZYHUDNBSSA-N -1 1 347.385 2.278 20 0 EEADMM Cc1cc(C)c(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1 ZINC001610455079 1352224995 /nfs/dbraw/zinc/22/49/95/1352224995.db2.gz FRISBIPTPKPBNS-ZDUSSCGKSA-N -1 1 334.420 2.020 20 0 EEADMM O=C(C[C@@H]1CSCCS1)OCC(=O)c1ccc([O-])cc1O ZINC001647120571 1353151182 /nfs/dbraw/zinc/15/11/82/1353151182.db2.gz HTTNIFGFYCDOGA-SNVBAGLBSA-N -1 1 328.411 2.062 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)c(=O)c2c1 ZINC001610517024 1352236908 /nfs/dbraw/zinc/23/69/08/1352236908.db2.gz YPQXOUBWMZRYTB-GOSISDBHSA-N -1 1 328.368 2.163 20 0 EEADMM Cc1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1C(=O)[O-] ZINC001610583718 1352249299 /nfs/dbraw/zinc/24/92/99/1352249299.db2.gz RWOAGBUDMRDVPQ-QWHCGFSZSA-N -1 1 328.368 2.067 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1Cl ZINC001610705037 1352262360 /nfs/dbraw/zinc/26/23/60/1352262360.db2.gz GCDCPMAFCPZYPL-VIFPVBQESA-N -1 1 334.763 2.440 20 0 EEADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610766243 1352270935 /nfs/dbraw/zinc/27/09/35/1352270935.db2.gz FFUKNINDTBTYHA-AWEZNQCLSA-N -1 1 334.372 2.043 20 0 EEADMM O=C([O-])COc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC001610786758 1352274428 /nfs/dbraw/zinc/27/44/28/1352274428.db2.gz OFXZOMXHSBXRLN-IMJJTQAJSA-N -1 1 333.384 2.368 20 0 EEADMM O=C([O-])c1ccc(Br)cc1CN1CCC[C@@H](O)CC1 ZINC001610820350 1352280287 /nfs/dbraw/zinc/28/02/87/1352280287.db2.gz YFOKQGNBINNVFO-GFCCVEGCSA-N -1 1 328.206 2.494 20 0 EEADMM CCC(CC)[C@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001429086852 1339791540 /nfs/dbraw/zinc/79/15/40/1339791540.db2.gz SGPWTFYQCKPPFD-KCQAQPDRSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC1(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)CCC1 ZINC001429692991 1339983497 /nfs/dbraw/zinc/98/34/97/1339983497.db2.gz VFVJRRLGQZPOOX-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1C ZINC001430566908 1340258716 /nfs/dbraw/zinc/25/87/16/1340258716.db2.gz SYGMTHCQZGAEHO-ZDUSSCGKSA-N -1 1 327.384 2.034 20 0 EEADMM O=C(NCc1cccc(OCC(F)(F)F)n1)c1ccc([O-])cn1 ZINC001433962236 1341732520 /nfs/dbraw/zinc/73/25/20/1341732520.db2.gz BWAOUURDAMUGRM-UHFFFAOYSA-N -1 1 327.262 2.053 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CC2CCC(F)(F)CC2)CC1 ZINC001434857043 1341970043 /nfs/dbraw/zinc/97/00/43/1341970043.db2.gz KKSHYZFCQCZEIF-UHFFFAOYSA-N -1 1 339.386 2.371 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc2cnccc2c1 ZINC001470630183 1342094960 /nfs/dbraw/zinc/09/49/60/1342094960.db2.gz UXBSTEASLKNPRX-INIZCTEOSA-N -1 1 330.351 2.267 20 0 EEADMM CCC[C@H](C)N(C)c1nnc(CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577301600 1344125246 /nfs/dbraw/zinc/12/52/46/1344125246.db2.gz ZHKWZODRQYFFRW-NSHDSACASA-N -1 1 344.423 2.287 20 0 EEADMM CCC[C@H](C)N(C)c1nnc(CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577301600 1344125251 /nfs/dbraw/zinc/12/52/51/1344125251.db2.gz ZHKWZODRQYFFRW-NSHDSACASA-N -1 1 344.423 2.287 20 0 EEADMM COc1ccccc1C(F)(F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580079736 1344467517 /nfs/dbraw/zinc/46/75/17/1344467517.db2.gz RCUPVVYMJUIIQS-UHFFFAOYSA-N -1 1 346.297 2.001 20 0 EEADMM COc1ccccc1C(F)(F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580079736 1344467520 /nfs/dbraw/zinc/46/75/20/1344467520.db2.gz RCUPVVYMJUIIQS-UHFFFAOYSA-N -1 1 346.297 2.001 20 0 EEADMM COc1ncc(NC(=O)C=Cc2ccccc2F)cc1-c1nn[n-]n1 ZINC001580133070 1344478112 /nfs/dbraw/zinc/47/81/12/1344478112.db2.gz FWMUYDFLLODABT-SREVYHEPSA-N -1 1 340.318 2.061 20 0 EEADMM COc1ncc(NC(=O)N[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001580135809 1344479289 /nfs/dbraw/zinc/47/92/89/1344479289.db2.gz BQQNWFCYHUHRRB-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CCCCCCC1 ZINC001580601711 1344541580 /nfs/dbraw/zinc/54/15/80/1344541580.db2.gz MJUDUDBNNGHBPW-UHFFFAOYSA-N -1 1 330.392 2.118 20 0 EEADMM Cc1cccc(CO[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001581240053 1344605040 /nfs/dbraw/zinc/60/50/40/1344605040.db2.gz AIXRDUHYXPYTJT-LBPRGKRZSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1cccc(CO[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001581240053 1344605044 /nfs/dbraw/zinc/60/50/44/1344605044.db2.gz AIXRDUHYXPYTJT-LBPRGKRZSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1cccn2c(NC(=O)c3ccc(-c4nnn[n-]4)s3)cnc12 ZINC001581261649 1344607921 /nfs/dbraw/zinc/60/79/21/1344607921.db2.gz MPPMUYTVIZXOTJ-UHFFFAOYSA-N -1 1 325.357 2.137 20 0 EEADMM Cc1cccn2c(NC(=O)c3ccc(-c4nn[n-]n4)s3)cnc12 ZINC001581261649 1344607926 /nfs/dbraw/zinc/60/79/26/1344607926.db2.gz MPPMUYTVIZXOTJ-UHFFFAOYSA-N -1 1 325.357 2.137 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)c(Cl)c1)c1cccc([O-])c1F ZINC001582545507 1344760293 /nfs/dbraw/zinc/76/02/93/1344760293.db2.gz NNKKPCGRGGQGRK-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccnn1C1CCCC1 ZINC001582551676 1344762107 /nfs/dbraw/zinc/76/21/07/1344762107.db2.gz WVYRKMSOBYPIAR-UHFFFAOYSA-N -1 1 343.416 2.170 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001582558868 1344763804 /nfs/dbraw/zinc/76/38/04/1344763804.db2.gz JXPMFVPENIVBOS-WDEREUQCSA-N -1 1 347.448 2.091 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001582558868 1344763808 /nfs/dbraw/zinc/76/38/08/1344763808.db2.gz JXPMFVPENIVBOS-WDEREUQCSA-N -1 1 347.448 2.091 20 0 EEADMM NC(=O)c1cccc(CCNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001584356100 1348730427 /nfs/dbraw/zinc/73/04/27/1348730427.db2.gz CQWXZYLPIZLEFJ-UHFFFAOYSA-N -1 1 335.363 2.012 20 0 EEADMM C/C(=C/c1ccccc1)CN(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588770369 1348933229 /nfs/dbraw/zinc/93/32/29/1348933229.db2.gz KXUPKIUCHDEHGL-UVTDQMKNSA-N -1 1 348.410 2.366 20 0 EEADMM C/C(=C/c1ccccc1)CN(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588770369 1348933232 /nfs/dbraw/zinc/93/32/32/1348933232.db2.gz KXUPKIUCHDEHGL-UVTDQMKNSA-N -1 1 348.410 2.366 20 0 EEADMM CC(=O)N(C)c1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001588801934 1348938588 /nfs/dbraw/zinc/93/85/88/1348938588.db2.gz JHOOFZZMDPZKCN-UHFFFAOYSA-N -1 1 340.343 2.003 20 0 EEADMM CC(=O)N(C)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001588801934 1348938591 /nfs/dbraw/zinc/93/85/91/1348938591.db2.gz JHOOFZZMDPZKCN-UHFFFAOYSA-N -1 1 340.343 2.003 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001588883659 1348941274 /nfs/dbraw/zinc/94/12/74/1348941274.db2.gz ARCBEDYIICJSRO-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM C[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001589030146 1348953412 /nfs/dbraw/zinc/95/34/12/1348953412.db2.gz KSPQTDWNXFFRTM-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM C[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001589030146 1348953417 /nfs/dbraw/zinc/95/34/17/1348953417.db2.gz KSPQTDWNXFFRTM-SNVBAGLBSA-N -1 1 327.319 2.248 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589095526 1348958543 /nfs/dbraw/zinc/95/85/43/1348958543.db2.gz LQRONEJZJIUCNU-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589095526 1348958546 /nfs/dbraw/zinc/95/85/46/1348958546.db2.gz LQRONEJZJIUCNU-NSHDSACASA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001589103775 1348959295 /nfs/dbraw/zinc/95/92/95/1348959295.db2.gz WMQDUCQCROMOST-GFCCVEGCSA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001589104216 1348960077 /nfs/dbraw/zinc/96/00/77/1348960077.db2.gz BFFUBNHBURTFHA-YUMQZZPRSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001589104216 1348960084 /nfs/dbraw/zinc/96/00/84/1348960084.db2.gz BFFUBNHBURTFHA-YUMQZZPRSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)c1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC001589231592 1348972242 /nfs/dbraw/zinc/97/22/42/1348972242.db2.gz ATMZNPXPHAVWQY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC001589231592 1348972245 /nfs/dbraw/zinc/97/22/45/1348972245.db2.gz ATMZNPXPHAVWQY-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001589418646 1348989963 /nfs/dbraw/zinc/98/99/63/1348989963.db2.gz WOIOWAXIEYACSK-LBPRGKRZSA-N -1 1 329.339 2.107 20 0 EEADMM CC(C)[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589418646 1348989968 /nfs/dbraw/zinc/98/99/68/1348989968.db2.gz WOIOWAXIEYACSK-LBPRGKRZSA-N -1 1 329.339 2.107 20 0 EEADMM CC(C)[C@H]1N(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC12CC=CC2 ZINC001589520221 1348999965 /nfs/dbraw/zinc/99/99/65/1348999965.db2.gz QHXJCHAHJLVWAT-CQSZACIVSA-N -1 1 339.403 2.470 20 0 EEADMM CC(C)[C@H]1N(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC12CC=CC2 ZINC001589520221 1348999968 /nfs/dbraw/zinc/99/99/68/1348999968.db2.gz QHXJCHAHJLVWAT-CQSZACIVSA-N -1 1 339.403 2.470 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589550323 1349002738 /nfs/dbraw/zinc/00/27/38/1349002738.db2.gz DYLHNCJHWBRWFZ-LLVKDONJSA-N -1 1 337.449 2.386 20 0 EEADMM CC(C)CCOC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589603921 1349009399 /nfs/dbraw/zinc/00/93/99/1349009399.db2.gz MNZGBFUMFQPIER-UHFFFAOYSA-N -1 1 329.282 2.483 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NCc1nc(-c3nnn[n-]3)cs1)CCC2 ZINC001589782445 1349040478 /nfs/dbraw/zinc/04/04/78/1349040478.db2.gz UQQPGSOKXVUSNN-NSHDSACASA-N -1 1 344.448 2.268 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NCc1nc(-c3nn[n-]n3)cs1)CCC2 ZINC001589782445 1349040480 /nfs/dbraw/zinc/04/04/80/1349040480.db2.gz UQQPGSOKXVUSNN-NSHDSACASA-N -1 1 344.448 2.268 20 0 EEADMM C[C@H](CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccncc1 ZINC001589789776 1349043576 /nfs/dbraw/zinc/04/35/76/1349043576.db2.gz AIJAPWVQWFGRBP-GFCCVEGCSA-N -1 1 349.398 2.130 20 0 EEADMM C[C@H](CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccncc1 ZINC001589789776 1349043577 /nfs/dbraw/zinc/04/35/77/1349043577.db2.gz AIJAPWVQWFGRBP-GFCCVEGCSA-N -1 1 349.398 2.130 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001589835281 1349052982 /nfs/dbraw/zinc/05/29/82/1349052982.db2.gz QKNIMKMMHWERHQ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM C[C@@H](CCOCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001589835281 1349052987 /nfs/dbraw/zinc/05/29/87/1349052987.db2.gz QKNIMKMMHWERHQ-LBPRGKRZSA-N -1 1 325.376 2.064 20 0 EEADMM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)(F)F ZINC001589906085 1349060151 /nfs/dbraw/zinc/06/01/51/1349060151.db2.gz VJQXSDGRFPIDKU-UHFFFAOYSA-N -1 1 344.391 2.409 20 0 EEADMM CC1(C)CCC[C@@](O)(COC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001590095594 1349152699 /nfs/dbraw/zinc/15/26/99/1349152699.db2.gz BDIAXUHBKADSHP-HNNXBMFYSA-N -1 1 336.417 2.416 20 0 EEADMM CC1(C)CCC[C@@](O)(COC(=O)c2csc(-c3nn[n-]n3)c2)C1 ZINC001590095594 1349152702 /nfs/dbraw/zinc/15/27/02/1349152702.db2.gz BDIAXUHBKADSHP-HNNXBMFYSA-N -1 1 336.417 2.416 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H](C(F)(F)F)O1 ZINC001590104887 1349157741 /nfs/dbraw/zinc/15/77/41/1349157741.db2.gz XEFNSFIPRULGCY-JTQLQIEISA-N -1 1 347.366 2.470 20 0 EEADMM CC1(C)CN(Cc2csc(-c3nn[n-]n3)c2)C[C@H](C(F)(F)F)O1 ZINC001590106978 1349158109 /nfs/dbraw/zinc/15/81/09/1349158109.db2.gz NWQKWHHXPDBCIA-SNVBAGLBSA-N -1 1 347.366 2.470 20 0 EEADMM CC1(C)CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC(C)(C)O1 ZINC001590108706 1349158301 /nfs/dbraw/zinc/15/83/01/1349158301.db2.gz FRUJRMBYPFVGSL-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCCCC1 ZINC001590131653 1349169247 /nfs/dbraw/zinc/16/92/47/1349169247.db2.gz LESDYVRWTOBKNQ-UHFFFAOYSA-N -1 1 335.437 2.093 20 0 EEADMM CC1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCCCC1 ZINC001590131653 1349169250 /nfs/dbraw/zinc/16/92/50/1349169250.db2.gz LESDYVRWTOBKNQ-UHFFFAOYSA-N -1 1 335.437 2.093 20 0 EEADMM CC1=C(C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)CCC1 ZINC001590155955 1349177472 /nfs/dbraw/zinc/17/74/72/1349177472.db2.gz VIEJHNNLRPQTLM-UHFFFAOYSA-N -1 1 344.444 2.077 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001590166186 1349182338 /nfs/dbraw/zinc/18/23/38/1349182338.db2.gz WFFYVLOGNSIBFS-XDTLVQLUSA-N -1 1 349.398 2.455 20 0 EEADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001590218117 1349204886 /nfs/dbraw/zinc/20/48/86/1349204886.db2.gz GCHUHHRPVPQDSI-IONNQARKSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001590218117 1349204892 /nfs/dbraw/zinc/20/48/92/1349204892.db2.gz GCHUHHRPVPQDSI-IONNQARKSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@H]1CCC[C@@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)C1 ZINC001590245438 1349222983 /nfs/dbraw/zinc/22/29/83/1349222983.db2.gz XXLHATMCIIIWED-NWDGAFQWSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001590294462 1349249851 /nfs/dbraw/zinc/24/98/51/1349249851.db2.gz PTBRQKIWYHYAHO-NHYWBVRUSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590294462 1349249859 /nfs/dbraw/zinc/24/98/59/1349249859.db2.gz PTBRQKIWYHYAHO-NHYWBVRUSA-N -1 1 335.371 2.487 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590438617 1349326305 /nfs/dbraw/zinc/32/63/05/1349326305.db2.gz FOQLKNODKJDSBQ-CYBMUJFWSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@H](CCc1cccnc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590438617 1349326310 /nfs/dbraw/zinc/32/63/10/1349326310.db2.gz FOQLKNODKJDSBQ-CYBMUJFWSA-N -1 1 338.371 2.225 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1cccc(F)c1 ZINC001590445428 1349327477 /nfs/dbraw/zinc/32/74/77/1349327477.db2.gz WYHSRIRIAPBVAV-LBPRGKRZSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001590445428 1349327484 /nfs/dbraw/zinc/32/74/84/1349327484.db2.gz WYHSRIRIAPBVAV-LBPRGKRZSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1cccc(F)c1 ZINC001590445735 1349327612 /nfs/dbraw/zinc/32/76/12/1349327612.db2.gz JNURUMLVNKZUHO-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1cccc(F)c1 ZINC001590445735 1349327621 /nfs/dbraw/zinc/32/76/21/1349327621.db2.gz JNURUMLVNKZUHO-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CCCn1nc(C)c(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1C ZINC001590664526 1349384269 /nfs/dbraw/zinc/38/42/69/1349384269.db2.gz WEGGIBMYUMUNHF-UHFFFAOYSA-N -1 1 341.423 2.303 20 0 EEADMM CCCn1nc(C)c(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1C ZINC001590664526 1349384273 /nfs/dbraw/zinc/38/42/73/1349384273.db2.gz WEGGIBMYUMUNHF-UHFFFAOYSA-N -1 1 341.423 2.303 20 0 EEADMM CCN(C)[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001590677918 1349386874 /nfs/dbraw/zinc/38/68/74/1349386874.db2.gz BCGYCRMMDNHBGW-HNNXBMFYSA-N -1 1 341.371 2.196 20 0 EEADMM CCN(C)[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001590677918 1349386881 /nfs/dbraw/zinc/38/68/81/1349386881.db2.gz BCGYCRMMDNHBGW-HNNXBMFYSA-N -1 1 341.371 2.196 20 0 EEADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)[C@H](C)Cc1ccsc1 ZINC001590674975 1349386962 /nfs/dbraw/zinc/38/69/62/1349386962.db2.gz CGLCOSNUKWGQQA-LLVKDONJSA-N -1 1 342.428 2.417 20 0 EEADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)[C@H](C)Cc1ccsc1 ZINC001590674975 1349386969 /nfs/dbraw/zinc/38/69/69/1349386969.db2.gz CGLCOSNUKWGQQA-LLVKDONJSA-N -1 1 342.428 2.417 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591336451 1349464440 /nfs/dbraw/zinc/46/44/40/1349464440.db2.gz RMOACBIORCDOCB-BJOHPYRUSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591336451 1349464445 /nfs/dbraw/zinc/46/44/45/1349464445.db2.gz RMOACBIORCDOCB-BJOHPYRUSA-N -1 1 343.366 2.292 20 0 EEADMM Cc1ccnc(C2CCN(c3cc(C)nc(-c4nnn[n-]4)c3)CC2)n1 ZINC001592001630 1349581289 /nfs/dbraw/zinc/58/12/89/1349581289.db2.gz ALYTVIZPFXPVFO-UHFFFAOYSA-N -1 1 336.403 2.053 20 0 EEADMM Cc1ccnc(C2CCN(c3cc(C)nc(-c4nn[n-]n4)c3)CC2)n1 ZINC001592001630 1349581295 /nfs/dbraw/zinc/58/12/95/1349581295.db2.gz ALYTVIZPFXPVFO-UHFFFAOYSA-N -1 1 336.403 2.053 20 0 EEADMM Cc1cc(NC[C@@H](O)c2ccccc2Cl)cc(-c2nnn[n-]2)n1 ZINC001592041981 1349586875 /nfs/dbraw/zinc/58/68/75/1349586875.db2.gz ZRWFCYRMNHGXIB-CQSZACIVSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1cc(NC[C@@H](O)c2ccccc2Cl)cc(-c2nn[n-]n2)n1 ZINC001592041981 1349586878 /nfs/dbraw/zinc/58/68/78/1349586878.db2.gz ZRWFCYRMNHGXIB-CQSZACIVSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccc2ccnc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2c1 ZINC001592206519 1349608380 /nfs/dbraw/zinc/60/83/80/1349608380.db2.gz LCNSJJCAMQLMML-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1ccc2ccnc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2c1 ZINC001592206519 1349608386 /nfs/dbraw/zinc/60/83/86/1349608386.db2.gz LCNSJJCAMQLMML-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1cnc(Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)s1 ZINC001592295656 1349617670 /nfs/dbraw/zinc/61/76/70/1349617670.db2.gz LKDHQLNWZBPOAH-UHFFFAOYSA-N -1 1 330.398 2.056 20 0 EEADMM Cc1nsc(N2CCC(Cc3cccnc3)CC2)c1-c1nn[n-]n1 ZINC001592472425 1349634737 /nfs/dbraw/zinc/63/47/37/1349634737.db2.gz HZRODGJIKAKKRQ-UHFFFAOYSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1nsc(NC[C@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC001592488345 1349636321 /nfs/dbraw/zinc/63/63/21/1349636321.db2.gz AMYXHRIGICBJFI-LLVKDONJSA-N -1 1 327.417 2.470 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccc(N(C)C)c1 ZINC001592503315 1349640789 /nfs/dbraw/zinc/64/07/89/1349640789.db2.gz FUIFIHXTXIFLJU-UHFFFAOYSA-N -1 1 327.344 2.191 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccc(N(C)C)c1 ZINC001592503315 1349640793 /nfs/dbraw/zinc/64/07/93/1349640793.db2.gz FUIFIHXTXIFLJU-UHFFFAOYSA-N -1 1 327.344 2.191 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H]1C(F)F ZINC001592505114 1349642529 /nfs/dbraw/zinc/64/25/29/1349642529.db2.gz QWZMYQCRKDMRHF-VIFPVBQESA-N -1 1 348.313 2.038 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H]1C(F)F ZINC001592505114 1349642531 /nfs/dbraw/zinc/64/25/31/1349642531.db2.gz QWZMYQCRKDMRHF-VIFPVBQESA-N -1 1 348.313 2.038 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001592533436 1349649719 /nfs/dbraw/zinc/64/97/19/1349649719.db2.gz LNYQKWNKZZMYNO-TUAOUCFPSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001592533436 1349649729 /nfs/dbraw/zinc/64/97/29/1349649729.db2.gz LNYQKWNKZZMYNO-TUAOUCFPSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1OCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592536206 1349651083 /nfs/dbraw/zinc/65/10/83/1349651083.db2.gz RZWREOPYZIHLLF-SNVBAGLBSA-N -1 1 329.751 2.246 20 0 EEADMM Clc1cccc2c1OCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592536206 1349651085 /nfs/dbraw/zinc/65/10/85/1349651085.db2.gz RZWREOPYZIHLLF-SNVBAGLBSA-N -1 1 329.751 2.246 20 0 EEADMM Clc1nc(N2CCC[C@@H]2[C@@H]2CCCO2)sc1-c1nnn[n-]1 ZINC001592540408 1349653164 /nfs/dbraw/zinc/65/31/64/1349653164.db2.gz KEGUQKSJFSMQQV-SFYZADRCSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nc(N2CCC[C@@H]2[C@@H]2CCCO2)sc1-c1nn[n-]n1 ZINC001592540408 1349653167 /nfs/dbraw/zinc/65/31/67/1349653167.db2.gz KEGUQKSJFSMQQV-SFYZADRCSA-N -1 1 326.813 2.124 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001592616729 1349673066 /nfs/dbraw/zinc/67/30/66/1349673066.db2.gz XWCVEOXLZWAIHT-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001592616729 1349673074 /nfs/dbraw/zinc/67/30/74/1349673074.db2.gz XWCVEOXLZWAIHT-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM FC(F)(F)c1ccnc(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592620715 1349675642 /nfs/dbraw/zinc/67/56/42/1349675642.db2.gz AKEXXFZWWHISPJ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM Fc1cccc(SCc2cn(CC3CC3)nn2)c1-c1nn[n-]n1 ZINC001592658418 1349703112 /nfs/dbraw/zinc/70/31/12/1349703112.db2.gz MONONLUANYWREL-UHFFFAOYSA-N -1 1 331.380 2.300 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ncc(-c2nnn[n-]2)s1 ZINC001592829317 1349717617 /nfs/dbraw/zinc/71/76/17/1349717617.db2.gz SQSRIXIZBNKFOL-RXMQYKEDSA-N -1 1 333.204 2.236 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ncc(-c2nn[n-]n2)s1 ZINC001592829317 1349717621 /nfs/dbraw/zinc/71/76/21/1349717621.db2.gz SQSRIXIZBNKFOL-RXMQYKEDSA-N -1 1 333.204 2.236 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CC2CCC1CC2 ZINC001593137892 1349739444 /nfs/dbraw/zinc/73/94/44/1349739444.db2.gz ZMZVCWAEGTXYMK-CBINBANVSA-N -1 1 332.433 2.306 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc2cccnc21 ZINC001593195814 1349744384 /nfs/dbraw/zinc/74/43/84/1349744384.db2.gz GHBNQKGGTVENGQ-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1ccnn1C1CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593257017 1349752658 /nfs/dbraw/zinc/75/26/58/1349752658.db2.gz LRVUVEIDPLBEET-UHFFFAOYSA-N -1 1 344.766 2.089 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)o1 ZINC001593261675 1349753545 /nfs/dbraw/zinc/75/35/45/1349753545.db2.gz ZNSZJTSPXXZPGA-UHFFFAOYSA-N -1 1 337.299 2.227 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCC(F)(F)C1 ZINC001593263125 1349754799 /nfs/dbraw/zinc/75/47/99/1349754799.db2.gz DQAZFNZEKSFSJN-BYPYZUCNSA-N -1 1 334.739 2.351 20 0 EEADMM O=C(OCCOc1ccc(Cl)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593288693 1349765835 /nfs/dbraw/zinc/76/58/35/1349765835.db2.gz JQBGCWVGIYKLDY-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCCOc1ccc(Cl)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593288693 1349765838 /nfs/dbraw/zinc/76/58/38/1349765838.db2.gz JQBGCWVGIYKLDY-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1cc2c(cn1)OCCC2 ZINC001593299432 1349771609 /nfs/dbraw/zinc/77/16/09/1349771609.db2.gz UYDBLTPXRIWHHZ-UHFFFAOYSA-N -1 1 343.368 2.005 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@]2(CCSC2)C1 ZINC001593362850 1349791185 /nfs/dbraw/zinc/79/11/85/1349791185.db2.gz ZVWRUEKVBGPWGV-AWEZNQCLSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@]2(CCSC2)C1 ZINC001593362850 1349791188 /nfs/dbraw/zinc/79/11/88/1349791188.db2.gz ZVWRUEKVBGPWGV-AWEZNQCLSA-N -1 1 335.458 2.288 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC[C@@H]2CCCO2)c2ccc(Cl)cc12 ZINC001593495285 1349819302 /nfs/dbraw/zinc/81/93/02/1349819302.db2.gz SYGHHXZQJGNLGX-NSHDSACASA-N -1 1 345.790 2.404 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccsc1 ZINC001593506628 1349824162 /nfs/dbraw/zinc/82/41/62/1349824162.db2.gz KAFRBWYUYFGTJP-LURJTMIESA-N -1 1 328.810 2.184 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccsc1 ZINC001593506628 1349824166 /nfs/dbraw/zinc/82/41/66/1349824166.db2.gz KAFRBWYUYFGTJP-LURJTMIESA-N -1 1 328.810 2.184 20 0 EEADMM O=c1cc(CSCc2ccnc(-c3nn[n-]n3)c2)nc(C2CC2)[nH]1 ZINC001593538905 1349835037 /nfs/dbraw/zinc/83/50/37/1349835037.db2.gz BAFBDISOBAIIDS-UHFFFAOYSA-N -1 1 341.400 2.068 20 0 EEADMM c1[nH]c(CCNc2ccnc(-c3nn[n-]n3)c2)nc1-c1ccccc1 ZINC001593566994 1349853019 /nfs/dbraw/zinc/85/30/19/1349853019.db2.gz YWXPFWWYBAOJPY-UHFFFAOYSA-N -1 1 332.371 2.306 20 0 EEADMM c1ccc(COCCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001593574474 1349857905 /nfs/dbraw/zinc/85/79/05/1349857905.db2.gz SQUVYUKVHDESSC-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1ccc(COCCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001593574474 1349857912 /nfs/dbraw/zinc/85/79/12/1349857912.db2.gz SQUVYUKVHDESSC-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1nn(Cc2ccccc2)cc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001593574635 1349857985 /nfs/dbraw/zinc/85/79/85/1349857985.db2.gz FQNMSAUWAGTTKP-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1nn(Cc2ccccc2)cc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001593574635 1349857988 /nfs/dbraw/zinc/85/79/88/1349857988.db2.gz FQNMSAUWAGTTKP-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1ccc2c(c1)OCC[C@@H]2CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593579429 1349860494 /nfs/dbraw/zinc/86/04/94/1349860494.db2.gz HCKWZKWFTSDVPI-LLVKDONJSA-N -1 1 337.387 2.445 20 0 EEADMM c1ccc2c(c1)OCC[C@@H]2CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593579429 1349860500 /nfs/dbraw/zinc/86/05/00/1349860500.db2.gz HCKWZKWFTSDVPI-LLVKDONJSA-N -1 1 337.387 2.445 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCOCC1CCCC1 ZINC001593580806 1349862334 /nfs/dbraw/zinc/86/23/34/1349862334.db2.gz ZYXKWBVKACJWSX-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCOCC1CCCC1 ZINC001593580806 1349862339 /nfs/dbraw/zinc/86/23/39/1349862339.db2.gz ZYXKWBVKACJWSX-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)on1 ZINC001600249490 1350002234 /nfs/dbraw/zinc/00/22/34/1350002234.db2.gz HPBOGHGIZAIVPL-NEPJUHHUSA-N -1 1 347.371 2.124 20 0 EEADMM Cc1cc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)cc(C(=O)[O-])c1 ZINC001600256981 1350003738 /nfs/dbraw/zinc/00/37/38/1350003738.db2.gz BJMOJFDJMJYRIZ-UHFFFAOYSA-N -1 1 331.372 2.020 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1C(=O)[O-] ZINC001600483747 1350062713 /nfs/dbraw/zinc/06/27/13/1350062713.db2.gz NVZBDWRUMNMAGV-UHFFFAOYSA-N -1 1 333.369 2.161 20 0 EEADMM Cc1cccc2c(=O)c(C(=O)NCc3ccccc3C(=O)[O-])c[nH]c12 ZINC001600553282 1350081243 /nfs/dbraw/zinc/08/12/43/1350081243.db2.gz KDLBPLWPRGYAOX-UHFFFAOYSA-N -1 1 336.347 2.465 20 0 EEADMM Cc1nc(-c2ccccc2)n(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC001600676649 1350114785 /nfs/dbraw/zinc/11/47/85/1350114785.db2.gz GXZGZUYALIHVKP-HNNXBMFYSA-N -1 1 326.400 2.398 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cc1C(=O)[O-] ZINC001600747122 1350127218 /nfs/dbraw/zinc/12/72/18/1350127218.db2.gz IIUAWXQWUMNMAU-UHFFFAOYSA-N -1 1 347.396 2.163 20 0 EEADMM Cn1c(CNCc2cccnc2OCC(F)(F)F)ccc1C(=O)[O-] ZINC001600916076 1350167134 /nfs/dbraw/zinc/16/71/34/1350167134.db2.gz MFGKWUPVDQZPRU-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM Cn1cc([C@@H](NCc2csc(C(=O)[O-])c2)C2(CO)CCC2)cn1 ZINC001600941480 1350173416 /nfs/dbraw/zinc/17/34/16/1350173416.db2.gz UUOKUJDKKZIJDA-CQSZACIVSA-N -1 1 335.429 2.173 20 0 EEADMM Cn1cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001600941684 1350173434 /nfs/dbraw/zinc/17/34/34/1350173434.db2.gz RJCWFOFBOHELNL-UHFFFAOYSA-N -1 1 337.401 2.217 20 0 EEADMM O=C(CN1CCC[C@@]2(CCSC2)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601314739 1350255117 /nfs/dbraw/zinc/25/51/17/1350255117.db2.gz PBFMXAOLPPQMJS-MRXNPFEDSA-N -1 1 340.489 2.109 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1cccc2nc[nH]c21)c1cc(F)ccc1F ZINC001601397253 1350274241 /nfs/dbraw/zinc/27/42/41/1350274241.db2.gz NZNRRNSLNVLGKP-AWEZNQCLSA-N -1 1 331.278 2.397 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1ccc(CN2CCCCC2)o1)c1cccnc1 ZINC001601403149 1350275377 /nfs/dbraw/zinc/27/53/77/1350275377.db2.gz IHKXLHDTQHRZJE-MRXNPFEDSA-N -1 1 343.383 2.216 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001601568671 1350308339 /nfs/dbraw/zinc/30/83/39/1350308339.db2.gz ZIOMZTVVNZSIQO-QGZVFWFLSA-N -1 1 348.362 2.470 20 0 EEADMM O=C([O-])[C@H]1CCc2sc(NC(=O)c3cc(C(F)F)n[nH]3)nc2C1 ZINC001601630915 1350323879 /nfs/dbraw/zinc/32/38/79/1350323879.db2.gz MYABAEAZJBOSIE-YFKPBYRVSA-N -1 1 342.327 2.246 20 0 EEADMM O=C([O-])[C@@H](CF)NCc1cc(Br)c2c(c1)OCCCO2 ZINC001601648923 1350328173 /nfs/dbraw/zinc/32/81/73/1350328173.db2.gz HKEOHHACNZGLRV-SNVBAGLBSA-N -1 1 348.168 2.123 20 0 EEADMM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)C[C@@H]1c1ccccc1 ZINC001601702318 1350342408 /nfs/dbraw/zinc/34/24/08/1350342408.db2.gz LFNNRCSGKVBOQA-XIKOKIGWSA-N -1 1 349.350 2.064 20 0 EEADMM O=C([O-])CCCONC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001601996023 1350413607 /nfs/dbraw/zinc/41/36/07/1350413607.db2.gz YSIPVFADCMGWQQ-LBPRGKRZSA-N -1 1 342.189 2.392 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1OC(F)F ZINC001602005070 1350416315 /nfs/dbraw/zinc/41/63/15/1350416315.db2.gz URIGKNBCOHTCHT-UHFFFAOYSA-N -1 1 337.706 2.303 20 0 EEADMM O=C([O-])c1cc(C2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)[nH]n1 ZINC001602254481 1350478059 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O=C([O-])[C@H]1C[C@@H]2C[C@H](OC(=O)c3ccc(-c4nnc[nH]4)cc3)[C@@H]2C1 ZINC001602609894 1350556543 /nfs/dbraw/zinc/55/65/43/1350556543.db2.gz RKEZAJOUGKRNIX-RQJABVFESA-N -1 1 327.340 2.128 20 0 EEADMM CC(=Cc1cccnc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001602905769 1350603075 /nfs/dbraw/zinc/60/30/75/1350603075.db2.gz BUIXRMRVQHRYTB-YFHOEESVSA-N -1 1 326.385 2.043 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1C ZINC001602951762 1350609456 /nfs/dbraw/zinc/60/94/56/1350609456.db2.gz YPNHVHGITNOPBD-STTHAQSSSA-N -1 1 330.428 2.406 20 0 EEADMM CC(C)(Cc1ccccc1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603157194 1350652031 /nfs/dbraw/zinc/65/20/31/1350652031.db2.gz CFOLGXHNXFNBHU-UHFFFAOYSA-N -1 1 336.399 2.147 20 0 EEADMM CC(C)(Cc1ccccc1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603157194 1350652034 /nfs/dbraw/zinc/65/20/34/1350652034.db2.gz CFOLGXHNXFNBHU-UHFFFAOYSA-N -1 1 336.399 2.147 20 0 EEADMM CC(C)c1ccccc1OCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603406163 1350701501 /nfs/dbraw/zinc/70/15/01/1350701501.db2.gz ZOMMQNWBVRWWBP-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)c1ccccc1OCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603406163 1350701504 /nfs/dbraw/zinc/70/15/04/1350701504.db2.gz ZOMMQNWBVRWWBP-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)c1cnc(Sc2cncc(-c3nnn[n-]3)n2)n1C1CC1 ZINC001603406687 1350701763 /nfs/dbraw/zinc/70/17/63/1350701763.db2.gz XWJCMNBVLYKAEG-UHFFFAOYSA-N -1 1 328.405 2.463 20 0 EEADMM CC(C)c1cnc(Sc2cncc(-c3nn[n-]n3)n2)n1C1CC1 ZINC001603406687 1350701766 /nfs/dbraw/zinc/70/17/66/1350701766.db2.gz XWJCMNBVLYKAEG-UHFFFAOYSA-N -1 1 328.405 2.463 20 0 EEADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)N(C)c1ccccc1 ZINC001603547447 1350718231 /nfs/dbraw/zinc/71/82/31/1350718231.db2.gz GXQLABUUJSSARG-LLVKDONJSA-N -1 1 342.428 2.183 20 0 EEADMM CC1(C)Cc2ccccc2N1Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001603793394 1350769147 /nfs/dbraw/zinc/76/91/47/1350769147.db2.gz VIADJTGMGVPAFQ-UHFFFAOYSA-N -1 1 346.398 2.251 20 0 EEADMM CC1(C)Cc2ccccc2N1Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001603793394 1350769148 /nfs/dbraw/zinc/76/91/48/1350769148.db2.gz VIADJTGMGVPAFQ-UHFFFAOYSA-N -1 1 346.398 2.251 20 0 EEADMM CC1(C)Oc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)n3)cc2O1 ZINC001603795860 1350769229 /nfs/dbraw/zinc/76/92/29/1350769229.db2.gz OQWCJWCDRDGBCO-UHFFFAOYSA-N -1 1 338.327 2.021 20 0 EEADMM CC1(C)Oc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)n3)cc2O1 ZINC001603795860 1350769230 /nfs/dbraw/zinc/76/92/30/1350769230.db2.gz OQWCJWCDRDGBCO-UHFFFAOYSA-N -1 1 338.327 2.021 20 0 EEADMM CC1(C)SC[C@H]1Nc1cc(Br)cnc1-c1nnn[n-]1 ZINC001603795111 1350769317 /nfs/dbraw/zinc/76/93/17/1350769317.db2.gz FUMXTKMJRRPAPR-MRVPVSSYSA-N -1 1 341.238 2.330 20 0 EEADMM CC1(C)SC[C@H]1Nc1cc(Br)cnc1-c1nn[n-]n1 ZINC001603795111 1350769318 /nfs/dbraw/zinc/76/93/18/1350769318.db2.gz FUMXTKMJRRPAPR-MRVPVSSYSA-N -1 1 341.238 2.330 20 0 EEADMM C[C@@H]1CCC[C@@H](CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001603887391 1350794147 /nfs/dbraw/zinc/79/41/47/1350794147.db2.gz QYRPFDLGHRZHGA-NXEZZACHSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)o3)sc2C1 ZINC001603914713 1350800821 /nfs/dbraw/zinc/80/08/21/1350800821.db2.gz PQGPGNNAOPUAPC-ZETCQYMHSA-N -1 1 330.373 2.293 20 0 EEADMM C[C@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@H](CC(F)(F)F)O1 ZINC001603935537 1350805998 /nfs/dbraw/zinc/80/59/98/1350805998.db2.gz GUTYJWLQQJRJIL-WPRPVWTQSA-N -1 1 347.366 2.470 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001603941750 1350808893 /nfs/dbraw/zinc/80/88/93/1350808893.db2.gz SIKPQRTYTQTHMW-WCQYABFASA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC001603941750 1350808895 /nfs/dbraw/zinc/80/88/95/1350808895.db2.gz SIKPQRTYTQTHMW-WCQYABFASA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@@H](C)c1nnc(N(CC)CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001604011047 1350829420 /nfs/dbraw/zinc/82/94/20/1350829420.db2.gz LMRNCELUTUQOQN-LLVKDONJSA-N -1 1 344.423 2.459 20 0 EEADMM CC[C@@H](C)c1nnc(N(CC)CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001604011047 1350829422 /nfs/dbraw/zinc/82/94/22/1350829422.db2.gz LMRNCELUTUQOQN-LLVKDONJSA-N -1 1 344.423 2.459 20 0 EEADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604040317 1350837048 /nfs/dbraw/zinc/83/70/48/1350837048.db2.gz ZPEHKOXHDSBRAB-QMMMGPOBSA-N -1 1 340.840 2.129 20 0 EEADMM CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604099852 1350857039 /nfs/dbraw/zinc/85/70/39/1350857039.db2.gz IWCNSQNXIBVIRU-WDEREUQCSA-N -1 1 349.464 2.339 20 0 EEADMM CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604099852 1350857040 /nfs/dbraw/zinc/85/70/40/1350857040.db2.gz IWCNSQNXIBVIRU-WDEREUQCSA-N -1 1 349.464 2.339 20 0 EEADMM CC/C=C(/C)C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001604118876 1350864317 /nfs/dbraw/zinc/86/43/17/1350864317.db2.gz JXOGNBVRLHSFCG-LXGGSRJLSA-N -1 1 347.448 2.072 20 0 EEADMM CCC[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001604128688 1350867373 /nfs/dbraw/zinc/86/73/73/1350867373.db2.gz YQIPHCHDQOJETF-OAHLLOKOSA-N -1 1 336.399 2.462 20 0 EEADMM CCC[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604128688 1350867378 /nfs/dbraw/zinc/86/73/78/1350867378.db2.gz YQIPHCHDQOJETF-OAHLLOKOSA-N -1 1 336.399 2.462 20 0 EEADMM CCC[C@@H](C)CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001604136291 1350870295 /nfs/dbraw/zinc/87/02/95/1350870295.db2.gz KVKDUZJSPBJAPL-SNVBAGLBSA-N -1 1 330.392 2.099 20 0 EEADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)NCc1cccs1 ZINC001604324200 1350915438 /nfs/dbraw/zinc/91/54/38/1350915438.db2.gz IEXQXXRTZPBSIO-WFASDCNBSA-N -1 1 332.425 2.038 20 0 EEADMM CCOCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001604423242 1350935116 /nfs/dbraw/zinc/93/51/16/1350935116.db2.gz DRMOKHOAINAOKV-UHFFFAOYSA-N -1 1 345.281 2.130 20 0 EEADMM C[C@@H](Oc1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1)C(=O)[O-] ZINC001604430288 1350936297 /nfs/dbraw/zinc/93/62/97/1350936297.db2.gz RSTDWKFNCZEVRQ-PXAZEXFGSA-N -1 1 340.379 2.192 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)Cc2cc(C)ccc2F)n1 ZINC001604541869 1350958482 /nfs/dbraw/zinc/95/84/82/1350958482.db2.gz INFCYQXMXMQROW-UHFFFAOYSA-N -1 1 327.367 2.303 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)Cc2cc(C)ccc2F)n1 ZINC001604541869 1350958483 /nfs/dbraw/zinc/95/84/83/1350958483.db2.gz INFCYQXMXMQROW-UHFFFAOYSA-N -1 1 327.367 2.303 20 0 EEADMM CCc1nc(N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)cc(-c2nnn[n-]2)n1 ZINC001604558318 1350960077 /nfs/dbraw/zinc/96/00/77/1350960077.db2.gz ATFJQFZQEZCRFI-VQISRLSMSA-N -1 1 345.451 2.471 20 0 EEADMM CCc1nc(N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001604558318 1350960081 /nfs/dbraw/zinc/96/00/81/1350960081.db2.gz ATFJQFZQEZCRFI-VQISRLSMSA-N -1 1 345.451 2.471 20 0 EEADMM CCc1nc(N[C@H](COC)c2ccc(F)cc2)cc(-c2nnn[n-]2)n1 ZINC001604559157 1350960213 /nfs/dbraw/zinc/96/02/13/1350960213.db2.gz LSVYFFVRSSKRRH-CYBMUJFWSA-N -1 1 343.366 2.158 20 0 EEADMM CCc1nc(N[C@H](COC)c2ccc(F)cc2)cc(-c2nn[n-]n2)n1 ZINC001604559157 1350960216 /nfs/dbraw/zinc/96/02/16/1350960216.db2.gz LSVYFFVRSSKRRH-CYBMUJFWSA-N -1 1 343.366 2.158 20 0 EEADMM Cc1[nH]n(-c2cc(F)ccc2Br)c(=O)c1CC(=O)[O-] ZINC001604616446 1350970723 /nfs/dbraw/zinc/97/07/23/1350970723.db2.gz VGEHDEAJBYSKTD-MRVPVSSYSA-N -1 1 329.125 2.402 20 0 EEADMM C[C@H]1C[C@H](NCc2ccc(C(=O)[O-])n2C)C(=O)N1c1ccccc1 ZINC001604675933 1350982385 /nfs/dbraw/zinc/98/23/85/1350982385.db2.gz CAVCLKAJMLFCJO-WFASDCNBSA-N -1 1 327.384 2.007 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001604767800 1350999251 /nfs/dbraw/zinc/99/92/51/1350999251.db2.gz WVECFMPKOMKQQV-MGPLVRAMSA-N -1 1 325.368 2.363 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H]2CCSc3ccccc32)CCN1CCC(=O)[O-] ZINC001604770922 1351000066 /nfs/dbraw/zinc/00/00/66/1351000066.db2.gz JAUSMNYHWGADOR-HIFRSBDPSA-N -1 1 348.468 2.273 20 0 EEADMM CN(C[C@]12CCC[C@H]1OCC2)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001604794094 1351006306 /nfs/dbraw/zinc/00/63/06/1351006306.db2.gz BIUPWCNKBRURSK-IAQYHMDHSA-N -1 1 334.811 2.311 20 0 EEADMM CN(C[C@]12CCC[C@H]1OCC2)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001604794094 1351006308 /nfs/dbraw/zinc/00/63/08/1351006308.db2.gz BIUPWCNKBRURSK-IAQYHMDHSA-N -1 1 334.811 2.311 20 0 EEADMM CC[C@@](C)(C(=O)[O-])N(CC(=O)NCc1ccc(F)cc1)CC1CC1 ZINC001604887091 1351025061 /nfs/dbraw/zinc/02/50/61/1351025061.db2.gz BOFSQZACWCANSC-SFHVURJKSA-N -1 1 336.407 2.407 20 0 EEADMM CC[C@@](C)(NCC(=O)NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001604913443 1351031016 /nfs/dbraw/zinc/03/10/16/1351031016.db2.gz YBMZWRVQWIQIDI-LJQANCHMSA-N -1 1 348.443 2.467 20 0 EEADMM COCCOCc1cccc(-c2cc(C)nc(-c3nnn[n-]3)c2)c1 ZINC001605113215 1351080360 /nfs/dbraw/zinc/08/03/60/1351080360.db2.gz LFIBBILRSYUFJB-UHFFFAOYSA-N -1 1 325.372 2.400 20 0 EEADMM COCCOCc1cccc(-c2cc(C)nc(-c3nn[n-]n3)c2)c1 ZINC001605113215 1351080362 /nfs/dbraw/zinc/08/03/62/1351080362.db2.gz LFIBBILRSYUFJB-UHFFFAOYSA-N -1 1 325.372 2.400 20 0 EEADMM COc1cccc([C@@H](C)CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC001605312707 1351133197 /nfs/dbraw/zinc/13/31/97/1351133197.db2.gz JOEFDBFUNCCKJE-VIFPVBQESA-N -1 1 344.400 2.464 20 0 EEADMM COc1cccc([C@@H](C)CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC001605312707 1351133199 /nfs/dbraw/zinc/13/31/99/1351133199.db2.gz JOEFDBFUNCCKJE-VIFPVBQESA-N -1 1 344.400 2.464 20 0 EEADMM COc1ncc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC001605346037 1351141735 /nfs/dbraw/zinc/14/17/35/1351141735.db2.gz IIFLTXAZSYBICU-OLZOCXBDSA-N -1 1 336.355 2.013 20 0 EEADMM CCN(CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C1CC1 ZINC001605411561 1351155986 /nfs/dbraw/zinc/15/59/86/1351155986.db2.gz QKOPBYQVUMMLKS-UHFFFAOYSA-N -1 1 340.370 2.252 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C(C2CCC2)C2CCC2)nn1C ZINC001605464448 1351163254 /nfs/dbraw/zinc/16/32/54/1351163254.db2.gz GZQQRDDQAWHDMK-UHFFFAOYSA-N -1 1 329.408 2.064 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C(C2CCC2)C2CCC2)nn1C ZINC001605464448 1351163255 /nfs/dbraw/zinc/16/32/55/1351163255.db2.gz GZQQRDDQAWHDMK-UHFFFAOYSA-N -1 1 329.408 2.064 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H](C)COCc2ccccc2)c1 ZINC001605510588 1351174662 /nfs/dbraw/zinc/17/46/62/1351174662.db2.gz FGYDYUNOJFEVJO-AWEZNQCLSA-N -1 1 339.399 2.190 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001605572503 1351192426 /nfs/dbraw/zinc/19/24/26/1351192426.db2.gz IFUFUPGNSUIQMS-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCc3cn(C(C)C)nc32)n1 ZINC001605572503 1351192427 /nfs/dbraw/zinc/19/24/27/1351192427.db2.gz IFUFUPGNSUIQMS-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM CCOc1cccc(CCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001605706465 1351216407 /nfs/dbraw/zinc/21/64/07/1351216407.db2.gz UKXGCXONTXOHTA-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001605842688 1351233670 /nfs/dbraw/zinc/23/36/70/1351233670.db2.gz XKPCJGYGBRTSFI-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(NCCOc2ccc(F)c(F)c2)nc1-c1nnn[n-]1 ZINC001605873144 1351243413 /nfs/dbraw/zinc/24/34/13/1351243413.db2.gz CKYPDVROGIZSLZ-UHFFFAOYSA-N -1 1 332.314 2.339 20 0 EEADMM Cc1ccc(NCCOc2ccc(F)c(F)c2)nc1-c1nn[n-]n1 ZINC001605873144 1351243415 /nfs/dbraw/zinc/24/34/15/1351243415.db2.gz CKYPDVROGIZSLZ-UHFFFAOYSA-N -1 1 332.314 2.339 20 0 EEADMM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605910053 1351251563 /nfs/dbraw/zinc/25/15/63/1351251563.db2.gz JLAQLNRYFQMLLC-KRWDZBQOSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605910053 1351251567 /nfs/dbraw/zinc/25/15/67/1351251567.db2.gz JLAQLNRYFQMLLC-KRWDZBQOSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001605914010 1351252724 /nfs/dbraw/zinc/25/27/24/1351252724.db2.gz UYJYLXDXPLADOJ-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001605914010 1351252727 /nfs/dbraw/zinc/25/27/27/1351252727.db2.gz UYJYLXDXPLADOJ-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605936123 1351256337 /nfs/dbraw/zinc/25/63/37/1351256337.db2.gz GCZMXLOITPVZFR-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605936123 1351256340 /nfs/dbraw/zinc/25/63/40/1351256340.db2.gz GCZMXLOITPVZFR-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM CN(CC(=O)Nc1ccccc1Br)CC1(C(=O)[O-])CC1 ZINC001606085017 1351268424 /nfs/dbraw/zinc/26/84/24/1351268424.db2.gz BZVRLUVPIRNIBV-UHFFFAOYSA-N -1 1 341.205 2.184 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606105311 1351271406 /nfs/dbraw/zinc/27/14/06/1351271406.db2.gz VNSZZUKKICZQPG-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606105311 1351271409 /nfs/dbraw/zinc/27/14/09/1351271409.db2.gz VNSZZUKKICZQPG-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM CN(CC1(CO)CC1)[C@@H](C(=O)[O-])c1ccccc1Br ZINC001606107500 1351272437 /nfs/dbraw/zinc/27/24/37/1351272437.db2.gz FNTUCGJJEVDDQM-GFCCVEGCSA-N -1 1 328.206 2.279 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001606139862 1351278293 /nfs/dbraw/zinc/27/82/93/1351278293.db2.gz XCMPVJPBOPXKRD-QWRGUYRKSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2C[C@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001606139862 1351278295 /nfs/dbraw/zinc/27/82/95/1351278295.db2.gz XCMPVJPBOPXKRD-QWRGUYRKSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001606165971 1351280027 /nfs/dbraw/zinc/28/00/27/1351280027.db2.gz MHHMQVFYLGAUHA-JSGCOSHPSA-N -1 1 327.388 2.419 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001606165971 1351280030 /nfs/dbraw/zinc/28/00/30/1351280030.db2.gz MHHMQVFYLGAUHA-JSGCOSHPSA-N -1 1 327.388 2.419 20 0 EEADMM Cc1onc(CC(=O)Nc2nc(C(C)C)c(C)s2)c1-c1nnn[n-]1 ZINC001606180722 1351282162 /nfs/dbraw/zinc/28/21/62/1351282162.db2.gz UERDQSOGICNQSA-UHFFFAOYSA-N -1 1 347.404 2.233 20 0 EEADMM Cc1onc(CC(=O)Nc2nc(C(C)C)c(C)s2)c1-c1nn[n-]n1 ZINC001606180722 1351282168 /nfs/dbraw/zinc/28/21/68/1351282168.db2.gz UERDQSOGICNQSA-UHFFFAOYSA-N -1 1 347.404 2.233 20 0 EEADMM Clc1sc(N2CCN(c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001606201231 1351284489 /nfs/dbraw/zinc/28/44/89/1351284489.db2.gz XOZTYQFYEHVUTP-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2ccc(CC(C)C)nc2)[C@@H](C(=O)[O-])C1 ZINC001606411474 1351301636 /nfs/dbraw/zinc/30/16/36/1351301636.db2.gz PHYOJUPQZZVAGV-GDBMZVCRSA-N -1 1 334.416 2.118 20 0 EEADMM COC(=O)C[C@@H]1CCCN1Cn1ncc2c1ccc(C)c2C(=O)[O-] ZINC001606447646 1351303194 /nfs/dbraw/zinc/30/31/94/1351303194.db2.gz WAMGIMBXGKJYHW-LBPRGKRZSA-N -1 1 331.372 2.028 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccccc1Oc1ccccc1 ZINC001606446225 1351303517 /nfs/dbraw/zinc/30/35/17/1351303517.db2.gz JJTXRNADXTXSFQ-UHFFFAOYSA-N -1 1 347.338 2.126 20 0 EEADMM O=C(C[C@@H]1OCc2ccccc21)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606507998 1351313318 /nfs/dbraw/zinc/31/33/18/1351313318.db2.gz UZAQFTWZSJBZQT-ZDUSSCGKSA-N -1 1 341.396 2.206 20 0 EEADMM COC(=O)c1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)n(C)c1C ZINC001606539819 1351319461 /nfs/dbraw/zinc/31/94/61/1351319461.db2.gz DAYSTKYJEZGCKS-UHFFFAOYSA-N -1 1 330.384 2.450 20 0 EEADMM COC(=O)c1ccoc1CN[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001606622666 1351333253 /nfs/dbraw/zinc/33/32/53/1351333253.db2.gz ZSQMIBGEBNKPAS-WFASDCNBSA-N -1 1 331.368 2.488 20 0 EEADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606683644 1351341539 /nfs/dbraw/zinc/34/15/39/1351341539.db2.gz SHGIIPJISQSPLK-KGLIPLIRSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606683644 1351341544 /nfs/dbraw/zinc/34/15/44/1351341544.db2.gz SHGIIPJISQSPLK-KGLIPLIRSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606685867 1351342927 /nfs/dbraw/zinc/34/29/27/1351342927.db2.gz OMALHARDNZFLIT-GFCCVEGCSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606685867 1351342931 /nfs/dbraw/zinc/34/29/31/1351342931.db2.gz OMALHARDNZFLIT-GFCCVEGCSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001606745120 1351350672 /nfs/dbraw/zinc/35/06/72/1351350672.db2.gz BIFFDNAVFSIMFG-LBPRGKRZSA-N -1 1 337.358 2.466 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001606745120 1351350673 /nfs/dbraw/zinc/35/06/73/1351350673.db2.gz BIFFDNAVFSIMFG-LBPRGKRZSA-N -1 1 337.358 2.466 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cccc3nc(C)[nH]c32)C(=O)[O-])C1 ZINC001606744313 1351351015 /nfs/dbraw/zinc/35/10/15/1351351015.db2.gz YOVYMBQIEZUDIC-JMSVASOKSA-N -1 1 345.399 2.260 20 0 EEADMM O=C(NC/C=C/C1CC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606756614 1351351941 /nfs/dbraw/zinc/35/19/41/1351351941.db2.gz YLFDIHGXCLVARR-OWOJBTEDSA-N -1 1 325.785 2.064 20 0 EEADMM COC[C@@]1(CO)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001606841161 1351365417 /nfs/dbraw/zinc/36/54/17/1351365417.db2.gz SUBAWVYNPXYSPQ-HIFRSBDPSA-N -1 1 348.226 2.450 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C(C1CCC1)C1CCC1 ZINC001606845273 1351365797 /nfs/dbraw/zinc/36/57/97/1351365797.db2.gz VFXPZGVHKFMAED-UHFFFAOYSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C(C1CCC1)C1CCC1 ZINC001606845273 1351365800 /nfs/dbraw/zinc/36/58/00/1351365800.db2.gz VFXPZGVHKFMAED-UHFFFAOYSA-N -1 1 332.433 2.156 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccsc1-c1nnn[n-]1 ZINC001606865867 1351367721 /nfs/dbraw/zinc/36/77/21/1351367721.db2.gz KTHFDCRRSISQAP-NSHDSACASA-N -1 1 349.803 2.045 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1ccsc1-c1nn[n-]n1 ZINC001606865867 1351367722 /nfs/dbraw/zinc/36/77/22/1351367722.db2.gz KTHFDCRRSISQAP-NSHDSACASA-N -1 1 349.803 2.045 20 0 EEADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc(-c2nnn[n-]2)s1 ZINC001606939430 1351380384 /nfs/dbraw/zinc/38/03/84/1351380384.db2.gz XKPYWZUFMFBJJR-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc(-c2nn[n-]n2)s1 ZINC001606939430 1351380386 /nfs/dbraw/zinc/38/03/86/1351380386.db2.gz XKPYWZUFMFBJJR-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCCc2occc21 ZINC001606943904 1351380933 /nfs/dbraw/zinc/38/09/33/1351380933.db2.gz HBKHTLHOMNIJNH-NSHDSACASA-N -1 1 325.332 2.054 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCCc2occc21 ZINC001606943904 1351380934 /nfs/dbraw/zinc/38/09/34/1351380934.db2.gz HBKHTLHOMNIJNH-NSHDSACASA-N -1 1 325.332 2.054 20 0 EEADMM COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccnc2C)c1 ZINC001606941235 1351381201 /nfs/dbraw/zinc/38/12/01/1351381201.db2.gz YMXSAESVJWPECO-UHFFFAOYSA-N -1 1 336.369 2.035 20 0 EEADMM O=C(OCc1cccnc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001606982209 1351391390 /nfs/dbraw/zinc/39/13/90/1351391390.db2.gz HQWCZCKKLDEMCH-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccnc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC001606982209 1351391391 /nfs/dbraw/zinc/39/13/91/1351391391.db2.gz HQWCZCKKLDEMCH-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc2cccnc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606981892 1351391814 /nfs/dbraw/zinc/39/18/14/1351391814.db2.gz BZSKURVHUKAEKH-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cccc2cccnc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606981892 1351391817 /nfs/dbraw/zinc/39/18/17/1351391817.db2.gz BZSKURVHUKAEKH-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@@H]1C(F)(F)F ZINC001606994130 1351394145 /nfs/dbraw/zinc/39/41/45/1351394145.db2.gz PRDYPQOMIHIMIB-SECBINFHSA-N -1 1 336.277 2.125 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001607032221 1351401454 /nfs/dbraw/zinc/40/14/54/1351401454.db2.gz WOFCJZBJZPSPGG-LLVKDONJSA-N -1 1 341.396 2.264 20 0 EEADMM O=c1cc(-c2ccccc2)ncn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001607090035 1351413836 /nfs/dbraw/zinc/41/38/36/1351413836.db2.gz IVAIUKCDLUMDHP-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM c1ccc(CCOCCCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607127974 1351430057 /nfs/dbraw/zinc/43/00/57/1351430057.db2.gz BGYXHIWIOLLZTF-UHFFFAOYSA-N -1 1 339.403 2.108 20 0 EEADMM c1ccc(CCOCCCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607127974 1351430059 /nfs/dbraw/zinc/43/00/59/1351430059.db2.gz BGYXHIWIOLLZTF-UHFFFAOYSA-N -1 1 339.403 2.108 20 0 EEADMM c1ccc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CCOCC2)cc1 ZINC001607127336 1351430125 /nfs/dbraw/zinc/43/01/25/1351430125.db2.gz WTEAQQAHGQXFKT-KRWDZBQOSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CCOCC2)cc1 ZINC001607127336 1351430130 /nfs/dbraw/zinc/43/01/30/1351430130.db2.gz WTEAQQAHGQXFKT-KRWDZBQOSA-N -1 1 336.399 2.263 20 0 EEADMM c1cc2c(o1)CCCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC001607131366 1351433421 /nfs/dbraw/zinc/43/34/21/1351433421.db2.gz AWTPBSQJRHBLPH-UHFFFAOYSA-N -1 1 333.355 2.356 20 0 EEADMM c1cc2c(o1)CCCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC001607131366 1351433425 /nfs/dbraw/zinc/43/34/25/1351433425.db2.gz AWTPBSQJRHBLPH-UHFFFAOYSA-N -1 1 333.355 2.356 20 0 EEADMM c1sc(CNc2nnc(C3CCCCC3)o2)nc1-c1nnn[n-]1 ZINC001607138417 1351436378 /nfs/dbraw/zinc/43/63/78/1351436378.db2.gz ZAZFTHCTRPSUNG-UHFFFAOYSA-N -1 1 332.393 2.366 20 0 EEADMM c1sc(CNc2nnc(C3CCCCC3)o2)nc1-c1nn[n-]n1 ZINC001607138417 1351436380 /nfs/dbraw/zinc/43/63/80/1351436380.db2.gz ZAZFTHCTRPSUNG-UHFFFAOYSA-N -1 1 332.393 2.366 20 0 EEADMM COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1C(=O)[O-] ZINC001607190123 1351446026 /nfs/dbraw/zinc/44/60/26/1351446026.db2.gz OBIDYEBVCCLKRH-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM CSCc1n[nH]c(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC001607402011 1351487838 /nfs/dbraw/zinc/48/78/38/1351487838.db2.gz QWFNNUORNKRVDE-SECBINFHSA-N -1 1 349.416 2.178 20 0 EEADMM CSCc1nnc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)[nH]1 ZINC001607402011 1351487842 /nfs/dbraw/zinc/48/78/42/1351487842.db2.gz QWFNNUORNKRVDE-SECBINFHSA-N -1 1 349.416 2.178 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)n1C ZINC001607512418 1351508365 /nfs/dbraw/zinc/50/83/65/1351508365.db2.gz YXELWKSIDWYZSI-GWCFXTLKSA-N -1 1 334.338 2.167 20 0 EEADMM Cc1[nH]nc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC001607579601 1351519387 /nfs/dbraw/zinc/51/93/87/1351519387.db2.gz UYBLFTNFFWBDFS-UHFFFAOYSA-N -1 1 331.372 2.037 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)n[nH]1 ZINC001607639082 1351530861 /nfs/dbraw/zinc/53/08/61/1351530861.db2.gz WXAWBUVRCRDOCX-ZETCQYMHSA-N -1 1 338.314 2.447 20 0 EEADMM Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001607766753 1351554322 /nfs/dbraw/zinc/55/43/22/1351554322.db2.gz FYZOSBQQWFZTJC-KYJSFNMBSA-N -1 1 332.444 2.398 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001607801763 1351562193 /nfs/dbraw/zinc/56/21/93/1351562193.db2.gz QRSDZZZJTYCXAK-SFHVURJKSA-N -1 1 327.384 2.308 20 0 EEADMM Cc1cccc(-c2noc(CN3CCSC[C@H](C(=O)[O-])C3)n2)c1 ZINC001607836952 1351568932 /nfs/dbraw/zinc/56/89/32/1351568932.db2.gz PSJBAFKTTAEXHZ-CYBMUJFWSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001608035507 1351611045 /nfs/dbraw/zinc/61/10/45/1351611045.db2.gz XNVAZCMLJXHNKG-JTQLQIEISA-N -1 1 348.321 2.177 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001608035507 1351611047 /nfs/dbraw/zinc/61/10/47/1351611047.db2.gz XNVAZCMLJXHNKG-JTQLQIEISA-N -1 1 348.321 2.177 20 0 EEADMM Cn1cc(CN[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC001608114398 1351627940 /nfs/dbraw/zinc/62/79/40/1351627940.db2.gz KLPPSPWOVRVPLF-CYBMUJFWSA-N -1 1 347.802 2.272 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[nH]n1 ZINC001608128997 1351630270 /nfs/dbraw/zinc/63/02/70/1351630270.db2.gz HWTDPUJIITWERN-UHFFFAOYSA-N -1 1 343.387 2.174 20 0 EEADMM Cn1ncc2cc(CN3CCC(c4cc(C(=O)[O-])on4)CC3)cnc21 ZINC001608160816 1351637859 /nfs/dbraw/zinc/63/78/59/1351637859.db2.gz KODRLRAADAOJSD-UHFFFAOYSA-N -1 1 341.371 2.034 20 0 EEADMM NC(=O)c1cccc2c1CCN([C@@H](C(=O)[O-])c1ccc(F)cc1)C2 ZINC001608244862 1351655046 /nfs/dbraw/zinc/65/50/46/1351655046.db2.gz CTACNQUUQALDLM-MRXNPFEDSA-N -1 1 328.343 2.109 20 0 EEADMM O=C(CN1CCC[C@@H]2C[C@@]21C(=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC001608330493 1351672125 /nfs/dbraw/zinc/67/21/25/1351672125.db2.gz LCVYSZMQLIBADS-SUMDDJOVSA-N -1 1 328.412 2.193 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)NCc1ccccc1OC1CCCC1)C1CC1 ZINC001608341308 1351674379 /nfs/dbraw/zinc/67/43/79/1351674379.db2.gz VODFWTVPVXFHBA-SFHVURJKSA-N -1 1 346.427 2.077 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2c[nH]ccc-2n1 ZINC001623939844 1352409630 /nfs/dbraw/zinc/40/96/30/1352409630.db2.gz ZSGUSQCDILMAJY-UHFFFAOYSA-N -1 1 348.359 2.326 20 0 EEADMM CSc1nc(CNC(=O)c2cc3ccccc3n2C)cc(=O)[n-]1 ZINC001627727989 1352508307 /nfs/dbraw/zinc/50/83/07/1352508307.db2.gz OZSSZYWRRLAKIM-UHFFFAOYSA-N -1 1 328.397 2.326 20 0 EEADMM CC(C)(NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1c[nH]nn1 ZINC001642458459 1352731716 /nfs/dbraw/zinc/73/17/16/1352731716.db2.gz MTLBSJYJNFIXAW-UHFFFAOYSA-N -1 1 346.778 2.015 20 0 EEADMM CC[C@@H](C)C(=O)Nc1cccc(CNCc2cn(C)nc2C(=O)[O-])c1 ZINC001646226512 1352822732 /nfs/dbraw/zinc/82/27/32/1352822732.db2.gz PCRPZVCXOAEESZ-GFCCVEGCSA-N -1 1 344.415 2.393 20 0 EEADMM O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001646983693 1353089635 /nfs/dbraw/zinc/08/96/35/1353089635.db2.gz ITCDBHFTYSHOTK-ZCFIWIBFSA-N -1 1 347.247 2.126 20 0 EEADMM COc1ccc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)c([O-])c1 ZINC001654742403 1354156546 /nfs/dbraw/zinc/15/65/46/1354156546.db2.gz CBDVQNILLJGHCV-UHFFFAOYSA-N -1 1 337.335 2.300 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096266 1368138120 /nfs/dbraw/zinc/13/81/20/1368138120.db2.gz BOHIMQBQTXWKMY-WFASDCNBSA-N -1 1 345.403 2.313 20 0 EEADMM O=C(Cn1ccc2ccccc21)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346127861 1368138379 /nfs/dbraw/zinc/13/83/79/1368138379.db2.gz ZKYTYAFQCDQVDX-UHFFFAOYSA-N -1 1 348.366 2.372 20 0 EEADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185556011 1368158780 /nfs/dbraw/zinc/15/87/80/1368158780.db2.gz NFAOLQKMLCIBNF-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM CCOc1ccc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)cc1CC ZINC001198202750 1368628155 /nfs/dbraw/zinc/62/81/55/1368628155.db2.gz CDPYKUDAEPJPQO-UHFFFAOYSA-N -1 1 327.344 2.272 20 0 EEADMM CCC[C@H](CO)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201048923 1368778124 /nfs/dbraw/zinc/77/81/24/1368778124.db2.gz UDRGWBMQEITPBD-MRVPVSSYSA-N -1 1 340.214 2.028 20 0 EEADMM COc1ccc(/C=C/C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000006083225 1369075100 /nfs/dbraw/zinc/07/51/00/1369075100.db2.gz GGQLQDRCSSCSRH-FMIVXFBMSA-N -1 1 339.347 2.208 20 0 EEADMM CCN(C(=O)CCC1(C)CC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001488913060 1369098531 /nfs/dbraw/zinc/09/85/31/1369098531.db2.gz ABBXKWXFRTWHBC-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(COC(=O)C1CCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000006640571 1369194036 /nfs/dbraw/zinc/19/40/36/1369194036.db2.gz WHKKRDOBHHSLLA-UHFFFAOYSA-N -1 1 341.310 2.278 20 0 EEADMM C[C@@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)C[C@H](C2CC2)O1 ZINC000794660508 1369591594 /nfs/dbraw/zinc/59/15/94/1369591594.db2.gz YSPPVPCXKYPUIK-BXUZGUMPSA-N -1 1 331.445 2.459 20 0 EEADMM O=C([C@@H](Cc1cccnc1)C1CCCC1)N1CCC[C@H]1c1nn[n-]n1 ZINC000900389114 1369923313 /nfs/dbraw/zinc/92/33/13/1369923313.db2.gz OGKIECTWCFKFRM-HOTGVXAUSA-N -1 1 340.431 2.307 20 0 EEADMM N[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@H]1c1ccccc1 ZINC000900462851 1369923898 /nfs/dbraw/zinc/92/38/98/1369923898.db2.gz OPCWWVNERKLHDE-MIALQEHNSA-N -1 1 336.391 2.301 20 0 EEADMM Cc1c2cccc(F)c2oc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000888091694 1371273537 /nfs/dbraw/zinc/27/35/37/1371273537.db2.gz LVJROPFPUWMKCR-UHFFFAOYSA-N -1 1 329.335 2.413 20 0 EEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)N(C)C ZINC000798843742 1371616693 /nfs/dbraw/zinc/61/66/93/1371616693.db2.gz QQQRBHOZCFPFLI-CYBMUJFWSA-N -1 1 346.518 2.437 20 0 EEADMM CC(C)(C)c1nc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)no1 ZINC000799173527 1371634955 /nfs/dbraw/zinc/63/49/55/1371634955.db2.gz UNYOMWSSGUXEPE-UHFFFAOYSA-N -1 1 348.369 2.258 20 0 EEADMM O=S(=O)([N-]C1CCC2(CC1)OCCO2)c1sccc1Cl ZINC000830034325 1372306017 /nfs/dbraw/zinc/30/60/17/1372306017.db2.gz PGCWOBGTTLUGFR-UHFFFAOYSA-N -1 1 337.850 2.366 20 0 EEADMM O=C([O-])Cn1cc(CN2CCOC3(CCOCC3)C2)c2ccccc21 ZINC001138196234 1372363191 /nfs/dbraw/zinc/36/31/91/1372363191.db2.gz XXYNRHJZTJMFKR-UHFFFAOYSA-N -1 1 344.411 2.107 20 0 EEADMM Cc1cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc(C)c1F ZINC000831133910 1372366496 /nfs/dbraw/zinc/36/64/96/1372366496.db2.gz FAHSTTHTCAXFKU-UHFFFAOYSA-N -1 1 332.297 2.193 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2csc3c2CCCC3)C1)C(F)(F)F ZINC000831158817 1372368794 /nfs/dbraw/zinc/36/87/94/1372368794.db2.gz QXXCJTZLNMWJQW-UHFFFAOYSA-N -1 1 346.374 2.377 20 0 EEADMM CSCc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831158546 1372369163 /nfs/dbraw/zinc/36/91/63/1372369163.db2.gz MFMYNLJYKGKERB-UHFFFAOYSA-N -1 1 346.374 2.300 20 0 EEADMM CC[C@H](C)[C@@H](OC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340006 1373135451 /nfs/dbraw/zinc/13/54/51/1373135451.db2.gz WDLYLCROEJBFKY-IRCOFANPSA-N -1 1 338.370 2.106 20 0 EEADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc([O-])cn2)c1 ZINC001361779021 1373336355 /nfs/dbraw/zinc/33/63/55/1373336355.db2.gz RBHFHLADOARADR-UHFFFAOYSA-N -1 1 340.383 2.129 20 0 EEADMM CSc1ncc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c(=O)[n-]1 ZINC001362218404 1373378429 /nfs/dbraw/zinc/37/84/29/1373378429.db2.gz DGNKPJCCNSUSDW-GHMZBOCLSA-N -1 1 325.434 2.228 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CC(=O)c2ccccc21 ZINC001362309269 1373392657 /nfs/dbraw/zinc/39/26/57/1373392657.db2.gz XLUPOJFCCBQRTL-NSHDSACASA-N -1 1 329.381 2.270 20 0 EEADMM O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1ccccc1[O-] ZINC001362314154 1373393384 /nfs/dbraw/zinc/39/33/84/1373393384.db2.gz ZNADGEGQRHAYKX-UHFFFAOYSA-N -1 1 340.379 2.241 20 0 EEADMM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC001362447636 1373411959 /nfs/dbraw/zinc/41/19/59/1373411959.db2.gz BXKGUWDCFBGSGT-ZANVPECISA-N -1 1 337.326 2.054 20 0 EEADMM CN(C)c1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c(C(N)=O)c1 ZINC001362626725 1373438919 /nfs/dbraw/zinc/43/89/19/1373438919.db2.gz PEIALSAKXWIYDH-UHFFFAOYSA-N -1 1 347.802 2.392 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@]1(C)CCCCO1 ZINC001363118810 1373484531 /nfs/dbraw/zinc/48/45/31/1373484531.db2.gz KRYLSXCVEWJLCA-MJVIPROJSA-N -1 1 336.354 2.004 20 0 EEADMM COc1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccn1 ZINC001363264925 1373497257 /nfs/dbraw/zinc/49/72/57/1373497257.db2.gz VQWPRRMPXPRNDL-JQWIXIFHSA-N -1 1 331.338 2.122 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CC(=O)NC[C@@H]1c1ccccc1 ZINC001363596260 1373536998 /nfs/dbraw/zinc/53/69/98/1373536998.db2.gz VWVQIUGQMFRBLL-CYBMUJFWSA-N -1 1 330.771 2.359 20 0 EEADMM CC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC001363640669 1373541560 /nfs/dbraw/zinc/54/15/60/1373541560.db2.gz HQUPUMNBSUDPDT-BJDJZHNGSA-N -1 1 336.354 2.002 20 0 EEADMM CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC001363640693 1373541723 /nfs/dbraw/zinc/54/17/23/1373541723.db2.gz HQUPUMNBSUDPDT-USZNOCQGSA-N -1 1 336.354 2.002 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C1(C)CCCC1 ZINC001369596199 1374587126 /nfs/dbraw/zinc/58/71/26/1374587126.db2.gz TVIWOBLMKXSXDK-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001371102182 1375227460 /nfs/dbraw/zinc/22/74/60/1375227460.db2.gz KTYHOQWRNOOVHP-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001371120449 1375243399 /nfs/dbraw/zinc/24/33/99/1375243399.db2.gz JVNITXHZKXRDIM-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM CCC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372181784 1375834515 /nfs/dbraw/zinc/83/45/15/1375834515.db2.gz MUSIWZFSDJHXMO-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(CC(=O)N[C@H]2CC23CCN(C(=O)c2ncccc2[O-])CC3)CC1 ZINC001372331103 1375941454 /nfs/dbraw/zinc/94/14/54/1375941454.db2.gz IEYSONGSUIAGCF-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])ccc1Cl ZINC001376871588 1378814939 /nfs/dbraw/zinc/81/49/39/1378814939.db2.gz HELHAWQCCWWNSP-LLVKDONJSA-N -1 1 347.802 2.297 20 0 EEADMM CC(C)c1occc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001377067842 1378957376 /nfs/dbraw/zinc/95/73/76/1378957376.db2.gz BQCNRJZQJTYFOY-LLVKDONJSA-N -1 1 331.372 2.052 20 0 EEADMM CCc1cnc(CNC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)o1 ZINC001380065157 1381033449 /nfs/dbraw/zinc/03/34/49/1381033449.db2.gz RVZJHEUTIWTMEB-AWEZNQCLSA-N -1 1 346.431 2.272 20 0 EEADMM Cc1occc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001383527435 1382535320 /nfs/dbraw/zinc/53/53/20/1382535320.db2.gz COVZHPIRUHCEAG-MNOVXSKESA-N -1 1 331.372 2.016 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001384094767 1382794417 /nfs/dbraw/zinc/79/44/17/1382794417.db2.gz NUILMNPBKYCTBV-QWHCGFSZSA-N -1 1 333.432 2.333 20 0 EEADMM CCCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001384094759 1382794685 /nfs/dbraw/zinc/79/46/85/1382794685.db2.gz NUILMNPBKYCTBV-CHWSQXEVSA-N -1 1 333.432 2.333 20 0 EEADMM CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001384156600 1382829533 /nfs/dbraw/zinc/82/95/33/1382829533.db2.gz HJGLKKFLMRNWPX-QWHCGFSZSA-N -1 1 348.447 2.039 20 0 EEADMM CCC[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386612105 1386217574 /nfs/dbraw/zinc/21/75/74/1386217574.db2.gz XGHPQVUDMBHUCF-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)NC(=O)c1ncccc1[O-] ZINC001387164993 1386543984 /nfs/dbraw/zinc/54/39/84/1386543984.db2.gz HBHYRWAPKNIYAM-CHWSQXEVSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CCC(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001394374435 1390679502 /nfs/dbraw/zinc/67/95/02/1390679502.db2.gz WCKPTRJAZQVPQR-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1oc(C)c(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c1C ZINC001395072174 1390781576 /nfs/dbraw/zinc/78/15/76/1390781576.db2.gz ZHMKFIZPKGIGJB-JTQLQIEISA-N -1 1 345.399 2.196 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)C(C)(C)F)NC(=O)c1ncccc1[O-] ZINC001395212288 1390800809 /nfs/dbraw/zinc/80/08/09/1390800809.db2.gz CCIORXCFQCEBJP-GFCCVEGCSA-N -1 1 339.411 2.138 20 0 EEADMM CCCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)CCC1 ZINC001397045682 1391028564 /nfs/dbraw/zinc/02/85/64/1391028564.db2.gz BJHZUMZWUHPZFC-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](CNC(=O)CC(C)(C)C1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001399104372 1394702261 /nfs/dbraw/zinc/70/22/61/1394702261.db2.gz HFJCKSUIYFPVTL-GFCCVEGCSA-N -1 1 337.468 2.101 20 0 EEADMM CC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)CCCCC1 ZINC001400659056 1396505291 /nfs/dbraw/zinc/50/52/91/1396505291.db2.gz ZYINEABUWOZWSV-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CC1)c1cccc(Cl)c1 ZINC001400669746 1396514175 /nfs/dbraw/zinc/51/41/75/1396514175.db2.gz AAUMYLPNDVRJHG-UHFFFAOYSA-N -1 1 345.786 2.133 20 0 EEADMM CCCC[C@H](CN[C@H](C)c1ncccn1)NC(=O)c1ncccc1[O-] ZINC001422688878 1400126751 /nfs/dbraw/zinc/12/67/51/1400126751.db2.gz XVAUBTFFJUMSHR-ZIAGYGMSSA-N -1 1 343.431 2.217 20 0 EEADMM CC(C)(C)c1cnc(CNC2(CNC(=O)c3ncccc3[O-])CC2)o1 ZINC001423207120 1400485958 /nfs/dbraw/zinc/48/59/58/1400485958.db2.gz XVPDIGGXZGIJCT-UHFFFAOYSA-N -1 1 344.415 2.125 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001423609511 1400687445 /nfs/dbraw/zinc/68/74/45/1400687445.db2.gz UFAQHHCGIHRJSI-CYBMUJFWSA-N -1 1 345.447 2.061 20 0 EEADMM CN(C(=O)C(C)(C)C1CCCC1)[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001425488045 1401578559 /nfs/dbraw/zinc/57/85/59/1401578559.db2.gz MIJSRKBNIDLMJP-AWEZNQCLSA-N -1 1 349.479 2.053 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001426271754 1402010706 /nfs/dbraw/zinc/01/07/06/1402010706.db2.gz ZSXQPVMNFPEFEE-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1cccc(C)c1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001426842286 1402221758 /nfs/dbraw/zinc/22/17/58/1402221758.db2.gz GLXNDMLWPLNPLN-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CC(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001428118729 1402628840 /nfs/dbraw/zinc/62/88/40/1402628840.db2.gz LTVDFMXFZORPLA-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM CCC[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001577255105 1403629156 /nfs/dbraw/zinc/62/91/56/1403629156.db2.gz QBSAXTMMUQQGRY-LLVKDONJSA-N -1 1 348.476 2.007 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001578421933 1403752403 /nfs/dbraw/zinc/75/24/03/1403752403.db2.gz MFXJDKAAMOPBHY-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001578421933 1403752410 /nfs/dbraw/zinc/75/24/10/1403752410.db2.gz MFXJDKAAMOPBHY-CQSZACIVSA-N -1 1 340.362 2.211 20 0 EEADMM COC(=O)c1ccc(NC[C@@H]2C[C@H]2C2CCCC2)c(-c2nnn[n-]2)n1 ZINC001579483637 1403785156 /nfs/dbraw/zinc/78/51/56/1403785156.db2.gz IGUSAYVTTANVRI-RYUDHWBXSA-N -1 1 342.403 2.287 20 0 EEADMM COC(=O)c1ccc(NC[C@@H]2C[C@H]2C2CCCC2)c(-c2nn[n-]n2)n1 ZINC001579483637 1403785164 /nfs/dbraw/zinc/78/51/64/1403785164.db2.gz IGUSAYVTTANVRI-RYUDHWBXSA-N -1 1 342.403 2.287 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580064602 1403819208 /nfs/dbraw/zinc/81/92/08/1403819208.db2.gz XHASHTFHUOEIBZ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580064602 1403819216 /nfs/dbraw/zinc/81/92/16/1403819216.db2.gz XHASHTFHUOEIBZ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ncc(NC(=O)NCC2C(C)(C)C2(C)C)cc1-c1nn[n-]n1 ZINC001580136968 1403834242 /nfs/dbraw/zinc/83/42/42/1403834242.db2.gz VGKXKDRKYMNGFR-UHFFFAOYSA-N -1 1 345.407 2.074 20 0 EEADMM Cc1ccc(F)c(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581204684 1403877171 /nfs/dbraw/zinc/87/71/71/1403877171.db2.gz WDCBIDZXVVEUQQ-UHFFFAOYSA-N -1 1 331.376 2.235 20 0 EEADMM CCCC[C@H](CC)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC001590579850 1403888020 /nfs/dbraw/zinc/88/80/20/1403888020.db2.gz TZBRHYIBYQQJAS-NSHDSACASA-N -1 1 333.392 2.031 20 0 EEADMM COc1cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)ccc1F ZINC001591547690 1403926915 /nfs/dbraw/zinc/92/69/15/1403926915.db2.gz IIABSNPAOJQXMG-UHFFFAOYSA-N -1 1 327.323 2.425 20 0 EEADMM COc1cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)ccc1F ZINC001591547690 1403926931 /nfs/dbraw/zinc/92/69/31/1403926931.db2.gz IIABSNPAOJQXMG-UHFFFAOYSA-N -1 1 327.323 2.425 20 0 EEADMM CSCCCN(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591699801 1403940932 /nfs/dbraw/zinc/94/09/32/1403940932.db2.gz VDFLOFSDRGIAFH-UHFFFAOYSA-N -1 1 347.857 2.193 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001591893408 1403969340 /nfs/dbraw/zinc/96/93/40/1403969340.db2.gz FQSJVSDXNKBBNV-GFCCVEGCSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2Cc3ccc(Cl)cc3C2)n1 ZINC001591893408 1403969342 /nfs/dbraw/zinc/96/93/42/1403969342.db2.gz FQSJVSDXNKBBNV-GFCCVEGCSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592413805 1404028758 /nfs/dbraw/zinc/02/87/58/1404028758.db2.gz YKLKRTSZKHIYGT-ZDUSSCGKSA-N -1 1 349.402 2.122 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592413805 1404028767 /nfs/dbraw/zinc/02/87/67/1404028767.db2.gz YKLKRTSZKHIYGT-ZDUSSCGKSA-N -1 1 349.402 2.122 20 0 EEADMM Fc1cncc(Oc2ncc(Br)cc2-c2nn[n-]n2)c1 ZINC001592660632 1404706698 /nfs/dbraw/zinc/70/66/98/1404706698.db2.gz DWLMJQHYHXLNQA-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Cc1nsc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nnn[n-]1 ZINC001592482088 1404700746 /nfs/dbraw/zinc/70/07/46/1404700746.db2.gz RIEOALRPGYTJBB-UHFFFAOYSA-N -1 1 346.420 2.144 20 0 EEADMM Cc1nsc(NC(=O)c2cnn(C(C)(C)C)c2C)c1-c1nn[n-]n1 ZINC001592482088 1404700753 /nfs/dbraw/zinc/70/07/53/1404700753.db2.gz RIEOALRPGYTJBB-UHFFFAOYSA-N -1 1 346.420 2.144 20 0 EEADMM Cc1nsc(NCCNC(=O)CCC2CCCC2)c1-c1nn[n-]n1 ZINC001592491716 1404702010 /nfs/dbraw/zinc/70/20/10/1404702010.db2.gz SCXNNWLUWASZMV-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM Cc1cc(NC(=O)[C@H](C)SCc2ccc(-c3nnn[n-]3)o2)on1 ZINC001605703468 1404750054 /nfs/dbraw/zinc/75/00/54/1404750054.db2.gz GWFNQOGMRGHQOW-QMMMGPOBSA-N -1 1 334.361 2.017 20 0 EEADMM Cc1cc(NC(=O)[C@H](C)SCc2ccc(-c3nn[n-]n3)o2)on1 ZINC001605703468 1404750056 /nfs/dbraw/zinc/75/00/56/1404750056.db2.gz GWFNQOGMRGHQOW-QMMMGPOBSA-N -1 1 334.361 2.017 20 0 EEADMM Cc1nsc(N2CC(Nc3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001606142308 1404767123 /nfs/dbraw/zinc/76/71/23/1404767123.db2.gz ATUORFLBCOQPGW-UHFFFAOYSA-N -1 1 331.380 2.071 20 0 EEADMM Cc1nsc(NC(=O)CC(F)(F)C(F)(F)F)c1-c1nnn[n-]1 ZINC001606149172 1404769453 /nfs/dbraw/zinc/76/94/53/1404769453.db2.gz HNSUBKBVVGMDHP-UHFFFAOYSA-N -1 1 342.253 2.158 20 0 EEADMM Cc1nsc(NC(=O)CC(F)(F)C(F)(F)F)c1-c1nn[n-]n1 ZINC001606149172 1404769456 /nfs/dbraw/zinc/76/94/56/1404769456.db2.gz HNSUBKBVVGMDHP-UHFFFAOYSA-N -1 1 342.253 2.158 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001606176001 1404774151 /nfs/dbraw/zinc/77/41/51/1404774151.db2.gz RATVMWYVPRSPFB-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001606176001 1404774160 /nfs/dbraw/zinc/77/41/60/1404774160.db2.gz RATVMWYVPRSPFB-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM FC1(F)[C@@H]2CC[C@H](Nc3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@@H]21 ZINC001606301183 1404782449 /nfs/dbraw/zinc/78/24/49/1404782449.db2.gz PHBJTKNTAMEFJW-AEJSXWLSSA-N -1 1 333.346 2.380 20 0 EEADMM FC1(F)[C@@H]2CC[C@H](Nc3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@@H]21 ZINC001606301183 1404782454 /nfs/dbraw/zinc/78/24/54/1404782454.db2.gz PHBJTKNTAMEFJW-AEJSXWLSSA-N -1 1 333.346 2.380 20 0 EEADMM CC(C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-])=C1CCCC1 ZINC001756443118 1408486256 /nfs/dbraw/zinc/48/62/56/1408486256.db2.gz POWUNAIBXHLSSS-GFCCVEGCSA-N -1 1 331.416 2.254 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 ZINC000307959799 1409807423 /nfs/dbraw/zinc/80/74/23/1409807423.db2.gz JQWVOURPIBFXAE-UHFFFAOYSA-N -1 1 333.344 2.457 20 0 EEADMM COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)ccc1[O-] ZINC000322055999 1409862575 /nfs/dbraw/zinc/86/25/75/1409862575.db2.gz LBOMJQHVHYVRJI-GFCCVEGCSA-N -1 1 341.791 2.230 20 0 EEADMM CC(C)(C)c1nnc([N-]C(=O)c2ncc(C(N)=O)cc2Cl)s1 ZINC001771630460 1409894296 /nfs/dbraw/zinc/89/42/96/1409894296.db2.gz TVLGGQVSLWYCLK-UHFFFAOYSA-N -1 1 339.808 2.235 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1c[nH]c(C2CC2)n1 ZINC001771642288 1409900669 /nfs/dbraw/zinc/90/06/69/1409900669.db2.gz UEIQXMLBRQLVKF-UHFFFAOYSA-N -1 1 338.364 2.050 20 0 EEADMM O=C([O-])Cc1ccc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001771709694 1409923694 /nfs/dbraw/zinc/92/36/94/1409923694.db2.gz MPYGJLPIJYIKIA-UHFFFAOYSA-N -1 1 348.302 2.461 20 0 EEADMM CC(C)OCc1noc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001772037668 1410020013 /nfs/dbraw/zinc/02/00/13/1410020013.db2.gz PDOPTLSFGALKIX-SFHVURJKSA-N -1 1 345.399 2.223 20 0 EEADMM C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087209543 760390170 /nfs/dbraw/zinc/39/01/70/760390170.db2.gz OLKUJNJHLOZXKS-MCIONIFRSA-N -1 1 349.479 2.053 20 0 EEADMM CCN(C(=O)c1ccccc1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942644025 782913967 /nfs/dbraw/zinc/91/39/67/782913967.db2.gz VPDKMRKMDTXTIW-HNNXBMFYSA-N -1 1 339.395 2.164 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000938380035 773820000 /nfs/dbraw/zinc/82/00/00/773820000.db2.gz PDRJXOVGNVOINF-KKUMJFAQSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)c1coc(C)c1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942757516 783143886 /nfs/dbraw/zinc/14/38/86/783143886.db2.gz BKOLJDIXEXGOFL-AWEZNQCLSA-N -1 1 343.383 2.065 20 0 EEADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccc3O)C2)cc(C)[nH+]1 ZINC001058832498 774552733 /nfs/dbraw/zinc/55/27/33/774552733.db2.gz VQRPRDGLIWMYBC-ZDUSSCGKSA-N -1 1 326.400 2.380 20 0 EEADMM CC[C@H](F)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995280876 783200831 /nfs/dbraw/zinc/20/08/31/783200831.db2.gz YDJBTZGBDKKQLB-WPKBUWHJSA-N -1 1 349.406 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DIHOJKZUOBRTRX-VIFPVBQESA-N -1 1 328.353 2.356 20 0 EEADMM COc1c(C)cnc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821698424 606137731 /nfs/dbraw/zinc/13/77/31/606137731.db2.gz JQWHVRJYLOUCHW-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1c(C)cnc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821698424 606137733 /nfs/dbraw/zinc/13/77/33/606137733.db2.gz JQWHVRJYLOUCHW-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820062140 606165208 /nfs/dbraw/zinc/16/52/08/606165208.db2.gz HSMGWZCPTMVVEN-LBPRGKRZSA-N -1 1 346.439 2.423 20 0 EEADMM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820062140 606165209 /nfs/dbraw/zinc/16/52/09/606165209.db2.gz HSMGWZCPTMVVEN-LBPRGKRZSA-N -1 1 346.439 2.423 20 0 EEADMM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822345715 606171140 /nfs/dbraw/zinc/17/11/40/606171140.db2.gz PTFUJUNSIFRWSZ-NSHDSACASA-N -1 1 340.391 2.134 20 0 EEADMM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822345715 606171142 /nfs/dbraw/zinc/17/11/42/606171142.db2.gz PTFUJUNSIFRWSZ-NSHDSACASA-N -1 1 340.391 2.134 20 0 EEADMM CCC[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821014327 606224810 /nfs/dbraw/zinc/22/48/10/606224810.db2.gz DTGFGWIGKSAPCR-VIFPVBQESA-N -1 1 333.392 2.249 20 0 EEADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)Nc2cc(Cl)ccc21 ZINC000823541255 606394691 /nfs/dbraw/zinc/39/46/91/606394691.db2.gz NFAVVTPNHMXBIH-NSHDSACASA-N -1 1 332.776 2.436 20 0 EEADMM CN(c1ccccc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000821619306 606471574 /nfs/dbraw/zinc/47/15/74/606471574.db2.gz QRUHZIMAENJZEI-UHFFFAOYSA-N -1 1 335.415 2.367 20 0 EEADMM CN(c1ccccc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000821619306 606471575 /nfs/dbraw/zinc/47/15/75/606471575.db2.gz QRUHZIMAENJZEI-UHFFFAOYSA-N -1 1 335.415 2.367 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)C1Cc2ccccc2C1 ZINC000821573308 606532523 /nfs/dbraw/zinc/53/25/23/606532523.db2.gz KFDBVYNNBBHBDZ-UHFFFAOYSA-N -1 1 325.397 2.168 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)C1Cc2ccccc2C1 ZINC000821573308 606532525 /nfs/dbraw/zinc/53/25/25/606532525.db2.gz KFDBVYNNBBHBDZ-UHFFFAOYSA-N -1 1 325.397 2.168 20 0 EEADMM CCCO[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821127116 606556806 /nfs/dbraw/zinc/55/68/06/606556806.db2.gz BOLDQMLJTSOSGE-NSHDSACASA-N -1 1 335.433 2.350 20 0 EEADMM CCCO[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821127116 606556807 /nfs/dbraw/zinc/55/68/07/606556807.db2.gz BOLDQMLJTSOSGE-NSHDSACASA-N -1 1 335.433 2.350 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccc(F)cc2O1 ZINC000820743469 606572535 /nfs/dbraw/zinc/57/25/35/606572535.db2.gz UPTOYCIZLJFNTQ-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccc(F)cc2O1 ZINC000820743469 606572537 /nfs/dbraw/zinc/57/25/37/606572537.db2.gz UPTOYCIZLJFNTQ-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM COc1ccc([C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821778183 606647936 /nfs/dbraw/zinc/64/79/36/606647936.db2.gz WHBKJRSWTBSPMN-LLVKDONJSA-N -1 1 339.355 2.117 20 0 EEADMM COc1ccc([C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821778183 606647937 /nfs/dbraw/zinc/64/79/37/606647937.db2.gz WHBKJRSWTBSPMN-LLVKDONJSA-N -1 1 339.355 2.117 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1-c1ccccc1 ZINC000823122715 606655238 /nfs/dbraw/zinc/65/52/38/606655238.db2.gz GTLHRQKIIKNYBQ-UHFFFAOYSA-N -1 1 345.366 2.369 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1-c1ccccc1 ZINC000823122715 606655239 /nfs/dbraw/zinc/65/52/39/606655239.db2.gz GTLHRQKIIKNYBQ-UHFFFAOYSA-N -1 1 345.366 2.369 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821827695 606874773 /nfs/dbraw/zinc/87/47/73/606874773.db2.gz IPMOLVZBANTEET-UHFFFAOYSA-N -1 1 333.348 2.353 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821827695 606874774 /nfs/dbraw/zinc/87/47/74/606874774.db2.gz IPMOLVZBANTEET-UHFFFAOYSA-N -1 1 333.348 2.353 20 0 EEADMM c1coc(-c2nc(CNCc3ccc(-c4nnn[n-]4)o3)cs2)c1 ZINC000823815876 606923726 /nfs/dbraw/zinc/92/37/26/606923726.db2.gz LMEOMGZEOVXFBQ-UHFFFAOYSA-N -1 1 328.357 2.466 20 0 EEADMM c1coc(-c2nc(CNCc3ccc(-c4nn[n-]n4)o3)cs2)c1 ZINC000823815876 606923728 /nfs/dbraw/zinc/92/37/28/606923728.db2.gz LMEOMGZEOVXFBQ-UHFFFAOYSA-N -1 1 328.357 2.466 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000822620445 606959747 /nfs/dbraw/zinc/95/97/47/606959747.db2.gz QUPCAHQYWXABTH-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000822620445 606959749 /nfs/dbraw/zinc/95/97/49/606959749.db2.gz QUPCAHQYWXABTH-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cc1ccc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)[nH]c2c1 ZINC000822280418 607106892 /nfs/dbraw/zinc/10/68/92/607106892.db2.gz MVNJRLKCXNUHNU-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1ccc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)[nH]c2c1 ZINC000822280418 607106894 /nfs/dbraw/zinc/10/68/94/607106894.db2.gz MVNJRLKCXNUHNU-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM CCCc1nc(C)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)s1 ZINC000821142650 607108293 /nfs/dbraw/zinc/10/82/93/607108293.db2.gz KICRYZGNOJYYGS-UHFFFAOYSA-N -1 1 335.418 2.293 20 0 EEADMM CCCc1nc(C)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)s1 ZINC000821142650 607108295 /nfs/dbraw/zinc/10/82/95/607108295.db2.gz KICRYZGNOJYYGS-UHFFFAOYSA-N -1 1 335.418 2.293 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2nccnc2-c2nnn[n-]2)n1 ZINC000820570354 607118795 /nfs/dbraw/zinc/11/87/95/607118795.db2.gz ICUSCPOQTJVEMD-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM C[C@H](c1ccccc1)n1ccc(Nc2nccnc2-c2nn[n-]n2)n1 ZINC000820570354 607118797 /nfs/dbraw/zinc/11/87/97/607118797.db2.gz ICUSCPOQTJVEMD-LLVKDONJSA-N -1 1 333.359 2.206 20 0 EEADMM Clc1nsc(N[C@H]2CCN(c3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826354144 607810494 /nfs/dbraw/zinc/81/04/94/607810494.db2.gz QXAPEJNEWLZPHD-QMMMGPOBSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1nsc(N[C@H]2CCN(c3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826354144 607810495 /nfs/dbraw/zinc/81/04/95/607810495.db2.gz QXAPEJNEWLZPHD-QMMMGPOBSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1-c1nnn[n-]1 ZINC000826352090 607822162 /nfs/dbraw/zinc/82/21/62/607822162.db2.gz MYTZDEGDWQVPCO-WQHBLYJGSA-N -1 1 332.795 2.285 20 0 EEADMM Clc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc1-c1nn[n-]n1 ZINC000826352090 607822163 /nfs/dbraw/zinc/82/21/63/607822163.db2.gz MYTZDEGDWQVPCO-WQHBLYJGSA-N -1 1 332.795 2.285 20 0 EEADMM C[C@H](CC(=O)OCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824394586 607902678 /nfs/dbraw/zinc/90/26/78/607902678.db2.gz YFOGYLGWBFGUNK-GFCCVEGCSA-N -1 1 338.371 2.196 20 0 EEADMM C[C@H](CC(=O)OCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824394586 607902679 /nfs/dbraw/zinc/90/26/79/607902679.db2.gz YFOGYLGWBFGUNK-GFCCVEGCSA-N -1 1 338.371 2.196 20 0 EEADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000826285841 608130016 /nfs/dbraw/zinc/13/00/16/608130016.db2.gz LDLUUZJVPKHMGY-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000826285841 608130017 /nfs/dbraw/zinc/13/00/17/608130017.db2.gz LDLUUZJVPKHMGY-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM CC(=O)NCc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000823994355 608183052 /nfs/dbraw/zinc/18/30/52/608183052.db2.gz HCYVUCGDXNXCAQ-UHFFFAOYSA-N -1 1 349.807 2.356 20 0 EEADMM CC(=O)NCc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000823994355 608183054 /nfs/dbraw/zinc/18/30/54/608183054.db2.gz HCYVUCGDXNXCAQ-UHFFFAOYSA-N -1 1 349.807 2.356 20 0 EEADMM O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431201 608315375 /nfs/dbraw/zinc/31/53/75/608315375.db2.gz VBCVUGBVRCJGGJ-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431201 608315377 /nfs/dbraw/zinc/31/53/77/608315377.db2.gz VBCVUGBVRCJGGJ-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM Cc1ccccc1-c1nnc(Sc2ccc(-c3nnn[n-]3)nn2)o1 ZINC000826305268 608392245 /nfs/dbraw/zinc/39/22/45/608392245.db2.gz QKUMHTHAJBZDKR-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccccc1-c1nnc(Sc2ccc(-c3nn[n-]n3)nn2)o1 ZINC000826305268 608392247 /nfs/dbraw/zinc/39/22/47/608392247.db2.gz QKUMHTHAJBZDKR-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374130 608403877 /nfs/dbraw/zinc/40/38/77/608403877.db2.gz MMGBJORQCSCKRM-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374130 608403878 /nfs/dbraw/zinc/40/38/78/608403878.db2.gz MMGBJORQCSCKRM-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2cccnc2)cc1 ZINC000826520445 608412396 /nfs/dbraw/zinc/41/23/96/608412396.db2.gz JOYNIDKNUFZSRY-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2cccnc2)cc1 ZINC000826520445 608412397 /nfs/dbraw/zinc/41/23/97/608412397.db2.gz JOYNIDKNUFZSRY-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000826280596 608540912 /nfs/dbraw/zinc/54/09/12/608540912.db2.gz IFQFUTVYMCEMJT-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM c1cn(Cc2c(-c3ccccc3)nc3ccccn32)c(-c2nnn[n-]2)n1 ZINC000826518933 608893341 /nfs/dbraw/zinc/89/33/41/608893341.db2.gz CYGXRVYEHZZZES-UHFFFAOYSA-N -1 1 342.366 2.426 20 0 EEADMM c1cn(Cc2c(-c3ccccc3)nc3ccccn32)c(-c2nn[n-]n2)n1 ZINC000826518933 608893344 /nfs/dbraw/zinc/89/33/44/608893344.db2.gz CYGXRVYEHZZZES-UHFFFAOYSA-N -1 1 342.366 2.426 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCO1 ZINC000824213991 609400616 /nfs/dbraw/zinc/40/06/16/609400616.db2.gz DMXSBHJZDDRKRY-WFASDCNBSA-N -1 1 345.403 2.146 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCO1 ZINC000824213991 609400617 /nfs/dbraw/zinc/40/06/17/609400617.db2.gz DMXSBHJZDDRKRY-WFASDCNBSA-N -1 1 345.403 2.146 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@H]1CCCCO1 ZINC000826523429 609582396 /nfs/dbraw/zinc/58/23/96/609582396.db2.gz MRVKKFQVJACETR-LLVKDONJSA-N -1 1 325.376 2.181 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@H]1CCCCO1 ZINC000826523429 609582397 /nfs/dbraw/zinc/58/23/97/609582397.db2.gz MRVKKFQVJACETR-LLVKDONJSA-N -1 1 325.376 2.181 20 0 EEADMM CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866846204 674610278 /nfs/dbraw/zinc/61/02/78/674610278.db2.gz ZVDARXZNJOKVQM-LLVKDONJSA-N -1 1 327.233 2.218 20 0 EEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000121084238 676029241 /nfs/dbraw/zinc/02/92/41/676029241.db2.gz UZDWKIVLDQQYIS-UHFFFAOYSA-N -1 1 332.743 2.055 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1cccc(F)c1F)c1ncccc1[O-] ZINC001038194179 676081906 /nfs/dbraw/zinc/08/19/06/676081906.db2.gz OBBUTPSJHBJFHO-GFCCVEGCSA-N -1 1 333.338 2.070 20 0 EEADMM CC1(C(=O)N2C[C@@H]3CCN(C(=O)c4ncccc4[O-])[C@@H]3C2)CCCC1 ZINC001021444389 676090261 /nfs/dbraw/zinc/09/02/61/676090261.db2.gz DIADNLLVRZKFFQ-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cc(C)n(CC(=O)N[N-]C(=O)c2cc3c(cccc3F)s2)n1 ZINC000078939427 675429444 /nfs/dbraw/zinc/42/94/44/675429444.db2.gz PDAHAPCDOIRWMF-UHFFFAOYSA-N -1 1 346.387 2.315 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC000890755544 675587486 /nfs/dbraw/zinc/58/74/86/675587486.db2.gz TZEIYRZKYLHGDT-XQQFMLRXSA-N -1 1 347.415 2.305 20 0 EEADMM Cc1nc(CN(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000971395406 676521188 /nfs/dbraw/zinc/52/11/88/676521188.db2.gz VJHCSAWGFVDYAQ-ZDUSSCGKSA-N -1 1 346.456 2.207 20 0 EEADMM Cc1ccc(OCCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000078776599 676653103 /nfs/dbraw/zinc/65/31/03/676653103.db2.gz IDLDGEULVWJNKX-UHFFFAOYSA-N -1 1 329.400 2.319 20 0 EEADMM Cc1nc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)oc1C ZINC000947229085 677735123 /nfs/dbraw/zinc/73/51/23/677735123.db2.gz ALYPHXWZWFYAGR-SMDDNHRTSA-N -1 1 344.415 2.175 20 0 EEADMM Cc1csc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC000947231906 678575714 /nfs/dbraw/zinc/57/57/14/678575714.db2.gz PPNBOLYRASYXAJ-CHWSQXEVSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(CCO)Cc1ccccc1 ZINC000309801397 679790760 /nfs/dbraw/zinc/79/07/60/679790760.db2.gz JZSRESZRDAJCTK-UHFFFAOYSA-N -1 1 329.400 2.249 20 0 EEADMM Cc1noc(C)c1CN1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001024408295 679892165 /nfs/dbraw/zinc/89/21/65/679892165.db2.gz ZOPIWDWVOZRDDX-CQSZACIVSA-N -1 1 344.415 2.177 20 0 EEADMM COCc1nc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000892535223 681620816 /nfs/dbraw/zinc/62/08/16/681620816.db2.gz HDAHCOWPZXZQDB-NSHDSACASA-N -1 1 338.408 2.140 20 0 EEADMM COc1cccc(COCC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066637705 681781596 /nfs/dbraw/zinc/78/15/96/681781596.db2.gz IVTPAZNTMPTWRD-UHFFFAOYSA-N -1 1 348.428 2.117 20 0 EEADMM CC1(C)CC(CC(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000983155164 681913317 /nfs/dbraw/zinc/91/33/17/681913317.db2.gz LTXQKJJSLBBCHZ-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)sc1C ZINC000936158617 681942171 /nfs/dbraw/zinc/94/21/71/681942171.db2.gz YALKNDCDYUUPTL-GFCCVEGCSA-N -1 1 345.424 2.110 20 0 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EEADMM Cn1ccc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cnc21 ZINC001259350039 1319532717 /nfs/dbraw/zinc/53/27/17/1319532717.db2.gz NBPIBBYLLHSVJB-UHFFFAOYSA-N -1 1 329.381 2.309 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c(C)n1 ZINC001259362613 1319540315 /nfs/dbraw/zinc/54/03/15/1319540315.db2.gz ZIRVGKZEZZQDQP-UHFFFAOYSA-N -1 1 344.396 2.385 20 0 EEADMM O=S(=O)([N-]Cc1ccc2nonc2c1)c1cc(Cl)ccc1F ZINC001259460139 1319581352 /nfs/dbraw/zinc/58/13/52/1319581352.db2.gz MXXHHCMLBBJAEF-UHFFFAOYSA-N -1 1 341.751 2.494 20 0 EEADMM O=S(=O)([N-]Cc1cnc(Cl)cn1)c1cc(Cl)ccc1F ZINC001259462615 1319583838 /nfs/dbraw/zinc/58/38/38/1319583838.db2.gz RMISITWMLDMFFY-UHFFFAOYSA-N -1 1 336.175 2.401 20 0 EEADMM COc1cnc(Br)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259602753 1319623834 /nfs/dbraw/zinc/62/38/34/1319623834.db2.gz SXLARWRRCLPEOJ-UHFFFAOYSA-N -1 1 344.190 2.049 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc(F)cc4ncnc(Cl)c43)c2[nH]1 ZINC001159190546 1319669455 /nfs/dbraw/zinc/66/94/55/1319669455.db2.gz 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/nfs/dbraw/zinc/72/99/35/1319729935.db2.gz HRGJTDOYPIRWRR-UHFFFAOYSA-N -1 1 335.381 2.408 20 0 EEADMM COc1ccc(CS(=O)(=O)[N-]c2cc(CO)ccc2OC)cc1 ZINC001259900632 1319730706 /nfs/dbraw/zinc/73/07/06/1319730706.db2.gz IUNSACLHLUUITO-UHFFFAOYSA-N -1 1 337.397 2.138 20 0 EEADMM O=S(=O)([N-]c1cnnc2ccc(Cl)cc12)C1CCOCC1 ZINC001259908999 1319734701 /nfs/dbraw/zinc/73/47/01/1319734701.db2.gz QAIXQDSBVNSGTC-UHFFFAOYSA-N -1 1 327.793 2.204 20 0 EEADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CCO1 ZINC001260208340 1319831377 /nfs/dbraw/zinc/83/13/77/1319831377.db2.gz WSOZMIWZINSAPA-YUMQZZPRSA-N -1 1 325.764 2.464 20 0 EEADMM CC(=O)c1ccsc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393514 1319882952 /nfs/dbraw/zinc/88/29/52/1319882952.db2.gz MHJGIOJVFBPYDS-UHFFFAOYSA-N -1 1 341.366 2.155 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1 ZINC001260810672 1319981715 /nfs/dbraw/zinc/98/17/15/1319981715.db2.gz PFGVSSFHNBMGLD-UHFFFAOYSA-N -1 1 344.396 2.333 20 0 EEADMM CCOC(=O)C1(c2ccc(NCC[N-]C(=O)C(F)(F)F)cc2)CC1 ZINC001164246112 1321329722 /nfs/dbraw/zinc/32/97/22/1321329722.db2.gz OMOFJFNYRQCPDY-UHFFFAOYSA-N -1 1 344.333 2.372 20 0 EEADMM O=C([N-]CCNc1cccc(-c2ncc3ncccn32)c1)C(F)(F)F ZINC001164251524 1321330692 /nfs/dbraw/zinc/33/06/92/1321330692.db2.gz WBIQAHUWSBGIBJ-UHFFFAOYSA-N -1 1 349.316 2.487 20 0 EEADMM CN1CCN(c2cccnc2Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001203287486 1321858065 /nfs/dbraw/zinc/85/80/65/1321858065.db2.gz AWJJGZDWMYDGJB-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM CC(C)(C)OC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC001260961891 1321988319 /nfs/dbraw/zinc/98/83/19/1321988319.db2.gz YBBLIRNNOKJACB-UHFFFAOYSA-N -1 1 341.364 2.305 20 0 EEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cn[nH]c2)c1Br ZINC001260962382 1321989291 /nfs/dbraw/zinc/98/92/91/1321989291.db2.gz RXZBDMXRUZBGPL-UHFFFAOYSA-N -1 1 334.170 2.421 20 0 EEADMM CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CC=CCC1 ZINC001263044848 1322426969 /nfs/dbraw/zinc/42/69/69/1322426969.db2.gz 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ZINC001590010833 1349105797 /nfs/dbraw/zinc/10/57/97/1349105797.db2.gz ONVHUCMSZDABKO-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc(F)cc(F)c1 ZINC001590010833 1349105803 /nfs/dbraw/zinc/10/58/03/1349105803.db2.gz ONVHUCMSZDABKO-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM FC1(F)C[C@@]12CCCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001592629520 1349680488 /nfs/dbraw/zinc/68/04/88/1349680488.db2.gz HTIGKXWZIDANGM-CQSZACIVSA-N -1 1 333.346 2.160 20 0 EEADMM FC1(F)C[C@@]12CCCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001592629520 1349680493 /nfs/dbraw/zinc/68/04/93/1349680493.db2.gz HTIGKXWZIDANGM-CQSZACIVSA-N -1 1 333.346 2.160 20 0 EEADMM Cn1cc([C@H](NCc2ccsc2C(=O)[O-])C2(CO)CCC2)cn1 ZINC001600938670 1350172812 /nfs/dbraw/zinc/17/28/12/1350172812.db2.gz DAOXDNKMLWFWPO-AWEZNQCLSA-N -1 1 335.429 2.173 20 0 EEADMM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCN1C1CCCC1 ZINC001602103432 1350438313 /nfs/dbraw/zinc/43/83/13/1350438313.db2.gz KYOGKJBXNITMMN-NVXWUHKLSA-N 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/nfs/dbraw/zinc/72/42/75/1351724275.db2.gz YWQDZWXDEAVPQD-RYUDHWBXSA-N -1 1 334.397 2.093 20 0 EEADMM O=C([O-])c1nc(CNCc2ccnn2-c2ccncc2)ccc1Cl ZINC001608995456 1351810611 /nfs/dbraw/zinc/81/06/11/1351810611.db2.gz BYGALHFUASJYNS-UHFFFAOYSA-N -1 1 343.774 2.304 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609077123 1351832897 /nfs/dbraw/zinc/83/28/97/1351832897.db2.gz RCQPURJRIZSSCR-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609077123 1351832901 /nfs/dbraw/zinc/83/29/01/1351832901.db2.gz RCQPURJRIZSSCR-LBPRGKRZSA-N -1 1 344.419 2.210 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(N2CCNC2=O)c1 ZINC001323326782 1333441635 /nfs/dbraw/zinc/44/16/35/1333441635.db2.gz KHCSEDNTLFPOPF-UHFFFAOYSA-N -1 1 332.747 2.223 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1Cc2ccncc2C1 ZINC001323632721 1333502960 /nfs/dbraw/zinc/50/29/60/1333502960.db2.gz ATYRIIBPAWBODJ-UHFFFAOYSA-N -1 1 347.378 2.033 20 0 EEADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCc2ccccc2C1 ZINC001609142626 1351859879 /nfs/dbraw/zinc/85/98/79/1351859879.db2.gz GKYYAVMGGXMXMZ-SFHVURJKSA-N -1 1 334.383 2.395 20 0 EEADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCc2ccccc2C1 ZINC001609142626 1351859882 /nfs/dbraw/zinc/85/98/82/1351859882.db2.gz GKYYAVMGGXMXMZ-SFHVURJKSA-N -1 1 334.383 2.395 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1cccc(OC)c1OC ZINC001324805666 1333764339 /nfs/dbraw/zinc/76/43/39/1333764339.db2.gz IWTCWUUDEGTTGI-UHFFFAOYSA-N -1 1 339.388 2.026 20 0 EEADMM Cc1cn(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c2ccccc12 ZINC001325010499 1333807204 /nfs/dbraw/zinc/80/72/04/1333807204.db2.gz KWMMJLNEFXZLJT-CYBMUJFWSA-N -1 1 340.383 2.445 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609165414 1351872033 /nfs/dbraw/zinc/87/20/33/1351872033.db2.gz MLFKOKXGYLSLEL-FZMZJTMJSA-N -1 1 347.394 2.331 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609165414 1351872036 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EEADMM COC(=O)[C@H](C)Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609292753 1351923253 /nfs/dbraw/zinc/92/32/53/1351923253.db2.gz VPLYKSNKRAUJMC-LLVKDONJSA-N -1 1 341.371 2.423 20 0 EEADMM COC(=O)[C@H](C)Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609292753 1351923256 /nfs/dbraw/zinc/92/32/56/1351923256.db2.gz VPLYKSNKRAUJMC-LLVKDONJSA-N -1 1 341.371 2.423 20 0 EEADMM COc1cc2c(cc1F)CN(Cc1ccc(-c3nnn[n-]3)o1)CC2 ZINC001609348928 1351941644 /nfs/dbraw/zinc/94/16/44/1351941644.db2.gz ROIQDGKRWGESSX-UHFFFAOYSA-N -1 1 329.335 2.166 20 0 EEADMM COc1cc2c(cc1F)CN(Cc1ccc(-c3nn[n-]n3)o1)CC2 ZINC001609348928 1351941647 /nfs/dbraw/zinc/94/16/47/1351941647.db2.gz ROIQDGKRWGESSX-UHFFFAOYSA-N -1 1 329.335 2.166 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3c4ccccc4[nH]c3C2)n1 ZINC001609391886 1351957598 /nfs/dbraw/zinc/95/75/98/1351957598.db2.gz YZXDIJYAOAXMJL-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3c4ccccc4[nH]c3C2)n1 ZINC001609391886 1351957599 /nfs/dbraw/zinc/95/75/99/1351957599.db2.gz YZXDIJYAOAXMJL-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1cc(NC(=O)CSc2cccc(F)c2-c2nn[n-]n2)no1 ZINC001609406995 1351964055 /nfs/dbraw/zinc/96/40/55/1351964055.db2.gz YIUHPDOXJLRHOG-UHFFFAOYSA-N -1 1 334.336 2.033 20 0 EEADMM Cc1ccc(NCc2ccc(C[S@](C)=O)cc2)nc1-c1nnn[n-]1 ZINC001609426266 1351972403 /nfs/dbraw/zinc/97/24/03/1351972403.db2.gz KWIQMWQYOCRRBW-DEOSSOPVSA-N -1 1 342.428 2.061 20 0 EEADMM Cc1ccc(NCc2ccc(C[S@](C)=O)cc2)nc1-c1nn[n-]n1 ZINC001609426266 1351972405 /nfs/dbraw/zinc/97/24/05/1351972405.db2.gz KWIQMWQYOCRRBW-DEOSSOPVSA-N -1 1 342.428 2.061 20 0 EEADMM Cc1ccccc1-c1nc(COc2cccnc2-c2nnn[n-]2)no1 ZINC001609434905 1351975295 /nfs/dbraw/zinc/97/52/95/1351975295.db2.gz NOEXZGGAOONRFY-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1ccccc1-c1nc(COc2cccnc2-c2nn[n-]n2)no1 ZINC001609434905 1351975296 /nfs/dbraw/zinc/97/52/96/1351975296.db2.gz NOEXZGGAOONRFY-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1-c1nnn[n-]1 ZINC001609465690 1351988069 /nfs/dbraw/zinc/98/80/69/1351988069.db2.gz OSJJIZCDCFKYMT-CAHLUQPWSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c1-c1nn[n-]n1 ZINC001609465690 1351988071 /nfs/dbraw/zinc/98/80/71/1351988071.db2.gz OSJJIZCDCFKYMT-CAHLUQPWSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001609467950 1351988545 /nfs/dbraw/zinc/98/85/45/1351988545.db2.gz BYEPCDKGLISMEF-QWHCGFSZSA-N -1 1 327.319 2.193 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001609467950 1351988548 /nfs/dbraw/zinc/98/85/48/1351988548.db2.gz BYEPCDKGLISMEF-QWHCGFSZSA-N -1 1 327.319 2.193 20 0 EEADMM Clc1nc(N2CC[C@@H](C3CCOCC3)C2)sc1-c1nnn[n-]1 ZINC001609474858 1351991854 /nfs/dbraw/zinc/99/18/54/1351991854.db2.gz WSLNPYNXMOKKDW-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CC[C@@H](C3CCOCC3)C2)sc1-c1nn[n-]n1 ZINC001609474858 1351991856 /nfs/dbraw/zinc/99/18/56/1351991856.db2.gz WSLNPYNXMOKKDW-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Fc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)cc1F ZINC001609489746 1351995984 /nfs/dbraw/zinc/99/59/84/1351995984.db2.gz CYLQCCSDKDWNOL-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)cc1F ZINC001609489746 1351995988 /nfs/dbraw/zinc/99/59/88/1351995988.db2.gz CYLQCCSDKDWNOL-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM FC(F)n1ncc2cc(Nc3cnc(-c4nnn[n-]4)cn3)ccc21 ZINC001609486696 1351994621 /nfs/dbraw/zinc/99/46/21/1351994621.db2.gz WKQHVJZHTNJOOK-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM FC(F)n1ncc2cc(Nc3cnc(-c4nn[n-]n4)cn3)ccc21 ZINC001609486696 1351994624 /nfs/dbraw/zinc/99/46/24/1351994624.db2.gz WKQHVJZHTNJOOK-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM Nc1c(F)cc(Cl)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609510905 1352001777 /nfs/dbraw/zinc/00/17/77/1352001777.db2.gz NINGEKOOGYBLTO-UHFFFAOYSA-N -1 1 348.725 2.199 20 0 EEADMM O=C1Nc2cc(-c3nn[nH]n3)ccc2C1=Cc1cc(F)c([O-])c(F)c1 ZINC001609590518 1352029453 /nfs/dbraw/zinc/02/94/53/1352029453.db2.gz ZWEAQSXENFYHKF-XCVCLJGOSA-N -1 1 341.277 2.343 20 0 EEADMM O[C@]1(CNc2cccc(-c3nnn[n-]3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC001609607404 1352034464 /nfs/dbraw/zinc/03/44/64/1352034464.db2.gz AGFRPDTWSJOIJU-NOZJJQNGSA-N -1 1 342.325 2.157 20 0 EEADMM O[C@]1(CNc2cccc(-c3nn[n-]n3)n2)CCC[C@@H](C(F)(F)F)C1 ZINC001609607404 1352034467 /nfs/dbraw/zinc/03/44/67/1352034467.db2.gz AGFRPDTWSJOIJU-NOZJJQNGSA-N -1 1 342.325 2.157 20 0 EEADMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C)n1C1CC1 ZINC001333424399 1336043357 /nfs/dbraw/zinc/04/33/57/1336043357.db2.gz JSYHSGSGKJUYPW-MRXNPFEDSA-N -1 1 336.399 2.472 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1coc(-c2ccccc2)n1 ZINC001609615678 1352039540 /nfs/dbraw/zinc/03/95/40/1352039540.db2.gz LFMJXBHZEBIEQU-UHFFFAOYSA-N -1 1 332.327 2.019 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]3CCC[C@H]23)cc1 ZINC001609617085 1352041195 /nfs/dbraw/zinc/04/11/95/1352041195.db2.gz UQIYVYIWILVEKG-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]3CCC[C@H]23)cc1 ZINC001609617085 1352041199 /nfs/dbraw/zinc/04/11/99/1352041199.db2.gz UQIYVYIWILVEKG-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM CC(=O)c1ccccc1OCCN1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001609630533 1352045691 /nfs/dbraw/zinc/04/56/91/1352045691.db2.gz PNORQTHREUJNSQ-ZYRRHWMLSA-N -1 1 347.411 2.363 20 0 EEADMM CC(C)c1ccccc1NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001609720669 1352068140 /nfs/dbraw/zinc/06/81/40/1352068140.db2.gz CRMTWOBJGIMDHN-CYBMUJFWSA-N -1 1 336.457 2.498 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H]1CCn2ccnc21 ZINC001609727340 1352070128 /nfs/dbraw/zinc/07/01/28/1352070128.db2.gz KYYNJWXGEXXGAL-SMDDNHRTSA-N -1 1 328.372 2.033 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)[C@H]1CCCOC1 ZINC001337450057 1336703206 /nfs/dbraw/zinc/70/32/06/1336703206.db2.gz DSNCCFMERILDKT-IUCAKERBSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(CN2C[C@H](c3ccccc3F)CC2=O)C1 ZINC001609811714 1352091205 /nfs/dbraw/zinc/09/12/05/1352091205.db2.gz SWSGMTVNPXPHFX-FZKQIMNGSA-N -1 1 334.391 2.286 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001609907453 1352116969 /nfs/dbraw/zinc/11/69/69/1352116969.db2.gz FNZOAXBOWYFQBT-LBPRGKRZSA-N -1 1 337.395 2.401 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609940718 1352124592 /nfs/dbraw/zinc/12/45/92/1352124592.db2.gz QUACIUJGMIJBHA-GDBMZVCRSA-N -1 1 340.464 2.122 20 0 EEADMM CCN(CCC(=O)[O-])CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC001609999765 1352137433 /nfs/dbraw/zinc/13/74/33/1352137433.db2.gz MYYZMIVRZSENNK-NSHDSACASA-N -1 1 344.333 2.174 20 0 EEADMM CCOC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001610019244 1352141897 /nfs/dbraw/zinc/14/18/97/1352141897.db2.gz GHYSSJJKCUJOPN-RNCFNFMXSA-N -1 1 344.770 2.425 20 0 EEADMM CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001610055046 1352150897 /nfs/dbraw/zinc/15/08/97/1352150897.db2.gz MEHOUPWBMHYYGY-VIFPVBQESA-N -1 1 329.271 2.143 20 0 EEADMM O=C(CCC[C@@H](O)c1ccccc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847092666 1337865429 /nfs/dbraw/zinc/86/54/29/1337865429.db2.gz ULPYLFBMMZTOSH-LSDHHAIUSA-N -1 1 345.399 2.385 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001610136195 1352170447 /nfs/dbraw/zinc/17/04/47/1352170447.db2.gz BKBKIYIBMWKPCS-VIFPVBQESA-N -1 1 331.199 2.082 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cs1 ZINC001610205391 1352185597 /nfs/dbraw/zinc/18/55/97/1352185597.db2.gz BKGMQTRNZALRMT-UHFFFAOYSA-N -1 1 347.395 2.095 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NCC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])C1 ZINC001610234928 1352191697 /nfs/dbraw/zinc/19/16/97/1352191697.db2.gz MAOMTVAXGOMXJA-LESCRADOSA-N -1 1 348.443 2.490 20 0 EEADMM COc1ccccc1C1(NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC1 ZINC001610363747 1352211112 /nfs/dbraw/zinc/21/11/12/1352211112.db2.gz RINIBHKMBDBBQW-HNNXBMFYSA-N -1 1 348.443 2.280 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001610404211 1352217617 /nfs/dbraw/zinc/21/76/17/1352217617.db2.gz VGEWMKNEZYVLHT-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM Cc1c(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n[nH]c1C1CC1 ZINC001610410184 1352218458 /nfs/dbraw/zinc/21/84/58/1352218458.db2.gz DJEVTMYFWJHDTN-UHFFFAOYSA-N -1 1 335.385 2.236 20 0 EEADMM Cc1cc(CN2CCC[C@H]2C(=O)NC2CC2)cc(C)c1OCC(=O)[O-] ZINC001610461690 1352226775 /nfs/dbraw/zinc/22/67/75/1352226775.db2.gz NJFITBMJJRCIDH-INIZCTEOSA-N -1 1 346.427 2.010 20 0 EEADMM Cc1cc(NC(=O)CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])on1 ZINC001610470699 1352227847 /nfs/dbraw/zinc/22/78/47/1352227847.db2.gz KPWLIXLGNHRUJE-GFCCVEGCSA-N -1 1 331.372 2.144 20 0 EEADMM Cc1ccc2cccc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c2n1 ZINC001610515833 1352236954 /nfs/dbraw/zinc/23/69/54/1352236954.db2.gz TZQNFDSPKJXVNQ-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)n[nH]1 ZINC001610573530 1352247259 /nfs/dbraw/zinc/24/72/59/1352247259.db2.gz VHBWZFCOCGYTIO-SECBINFHSA-N -1 1 347.375 2.481 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(Cl)c2ncccc12 ZINC001610701222 1352261727 /nfs/dbraw/zinc/26/17/27/1352261727.db2.gz AVZYGNVCJJOINL-ZDUSSCGKSA-N -1 1 344.758 2.037 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)C1CC1 ZINC001610719476 1352264589 /nfs/dbraw/zinc/26/45/89/1352264589.db2.gz YQGFEYNQLYJCCN-KRWDZBQOSA-N -1 1 328.368 2.266 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001428740795 1339659690 /nfs/dbraw/zinc/65/96/90/1339659690.db2.gz OEAIMKHBIIVORB-IHRRRGAJSA-N -1 1 333.432 2.238 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2-c2ccno2)cn1 ZINC001610836101 1352282601 /nfs/dbraw/zinc/28/26/01/1352282601.db2.gz YHMNORLJSUGQTK-UHFFFAOYSA-N -1 1 345.336 2.236 20 0 EEADMM Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001429118415 1339804448 /nfs/dbraw/zinc/80/44/48/1339804448.db2.gz NOVIDXCNGFFOPK-CYBMUJFWSA-N -1 1 327.384 2.034 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001430006705 1340088951 /nfs/dbraw/zinc/08/89/51/1340088951.db2.gz WHQPIUFMPHHZNY-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CCCC1(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001430148230 1340140715 /nfs/dbraw/zinc/14/07/15/1340140715.db2.gz WKAJGPRSBUFBDB-JOCQHMNTSA-N -1 1 331.416 2.135 20 0 EEADMM CSc1ncc(C(=O)Nc2cccc(-n3cnnc3C)c2)c(=O)[n-]1 ZINC001545850367 1340425372 /nfs/dbraw/zinc/42/53/72/1340425372.db2.gz FZTRIDUQWDSFOW-UHFFFAOYSA-N -1 1 342.384 2.046 20 0 EEADMM CCC[C@@H](CC(C)C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431324418 1340550243 /nfs/dbraw/zinc/55/02/43/1340550243.db2.gz RIBPNNQTYMNUJZ-AWEZNQCLSA-N -1 1 335.448 2.438 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)c1ccccc1Cl ZINC001431359088 1340561796 /nfs/dbraw/zinc/56/17/96/1340561796.db2.gz GBEZIZLHYFDGFQ-UHFFFAOYSA-N -1 1 347.802 2.285 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H](N(CC)C(=O)c3ncccc3[O-])C2)CC1 ZINC001432530221 1341317727 /nfs/dbraw/zinc/31/77/27/1341317727.db2.gz BLCIVUJPAOGLMS-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1c(C)oc(C)c1C ZINC001432645872 1341351040 /nfs/dbraw/zinc/35/10/40/1341351040.db2.gz BJXRRVCCKFLRLG-ZDUSSCGKSA-N -1 1 345.399 2.244 20 0 EEADMM O=S(=O)([N-]c1nccs1)c1cccc(NCc2cnc[nH]2)c1 ZINC001560467967 1342513510 /nfs/dbraw/zinc/51/35/10/1342513510.db2.gz CCVPODZAHXEDIL-UHFFFAOYSA-N -1 1 335.414 2.279 20 0 EEADMM C[C@H](Oc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575498029 1343810423 /nfs/dbraw/zinc/81/04/23/1343810423.db2.gz JKAIUHOMTBVGNV-VIFPVBQESA-N -1 1 347.375 2.151 20 0 EEADMM CCCC(=O)NC1(CNc2snc(C)c2-c2nn[n-]n2)CCCC1 ZINC001577206012 1344105736 /nfs/dbraw/zinc/10/57/36/1344105736.db2.gz DHUBHEIMOQAGNQ-UHFFFAOYSA-N -1 1 349.464 2.273 20 0 EEADMM CCOC(=O)c1ccc(Sc2nnccc2-c2nn[n-]n2)c(F)c1 ZINC001578253060 1344255057 /nfs/dbraw/zinc/25/50/57/1344255057.db2.gz DPSWNQUZXFILRC-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CCSc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001578417675 1344277310 /nfs/dbraw/zinc/27/73/10/1344277310.db2.gz UEZYBJCZEBSTEY-UHFFFAOYSA-N -1 1 341.400 2.045 20 0 EEADMM CCc1onc(C)c1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001578729043 1344297801 /nfs/dbraw/zinc/29/78/01/1344297801.db2.gz NTNUIKCUDKFOQK-UHFFFAOYSA-N -1 1 333.377 2.109 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001579478426 1344386991 /nfs/dbraw/zinc/38/69/91/1344386991.db2.gz FVXUXTPQEKEBBF-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001579478426 1344386996 /nfs/dbraw/zinc/38/69/96/1344386996.db2.gz FVXUXTPQEKEBBF-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COc1cccc(SC)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001580074003 1344465609 /nfs/dbraw/zinc/46/56/09/1344465609.db2.gz JDHSFKURIPZBSX-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1cccc(SC)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001580074003 1344465612 /nfs/dbraw/zinc/46/56/12/1344465612.db2.gz JDHSFKURIPZBSX-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001580085391 1344469400 /nfs/dbraw/zinc/46/94/00/1344469400.db2.gz CZBRBFYGLODQBA-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001580085391 1344469401 /nfs/dbraw/zinc/46/94/01/1344469401.db2.gz CZBRBFYGLODQBA-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3cccc(-c4nnn[n-]4)n3)coc2c1 ZINC001581215489 1344599908 /nfs/dbraw/zinc/59/99/08/1344599908.db2.gz YYXPJXQWKBPZNU-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3cccc(-c4nn[n-]n4)n3)coc2c1 ZINC001581215489 1344599910 /nfs/dbraw/zinc/59/99/10/1344599910.db2.gz YYXPJXQWKBPZNU-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCc1cccc(C(F)F)c1 ZINC001582138390 1344705428 /nfs/dbraw/zinc/70/54/28/1344705428.db2.gz CETZOHSKOZUNIX-UHFFFAOYSA-N -1 1 344.325 2.058 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1cccc(C(F)F)c1 ZINC001582138390 1344705435 /nfs/dbraw/zinc/70/54/35/1344705435.db2.gz CETZOHSKOZUNIX-UHFFFAOYSA-N -1 1 344.325 2.058 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](C2CCC2)C1 ZINC001582549115 1344760725 /nfs/dbraw/zinc/76/07/25/1344760725.db2.gz PGXZBZYCQXTSGY-LLVKDONJSA-N -1 1 332.433 2.260 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CC(F)F)C1CCC1 ZINC001582549388 1344760750 /nfs/dbraw/zinc/76/07/50/1344760750.db2.gz YLCUONAUNATMGT-UHFFFAOYSA-N -1 1 342.375 2.257 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCSc1ccc(F)cc1F ZINC001582806517 1344794125 /nfs/dbraw/zinc/79/41/25/1344794125.db2.gz PCVXQIMWIZQDHB-UHFFFAOYSA-N -1 1 335.339 2.099 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001588770350 1348932720 /nfs/dbraw/zinc/93/27/20/1348932720.db2.gz KPKQAYWUIXLFHT-LUAWRHEFSA-N -1 1 337.387 2.259 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001588770350 1348932722 /nfs/dbraw/zinc/93/27/22/1348932722.db2.gz KPKQAYWUIXLFHT-LUAWRHEFSA-N -1 1 337.387 2.259 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001588772044 1348934235 /nfs/dbraw/zinc/93/42/35/1348934235.db2.gz ITJSDBKUWBBXMD-SOFGYWHQSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001588772044 1348934239 /nfs/dbraw/zinc/93/42/39/1348934239.db2.gz ITJSDBKUWBBXMD-SOFGYWHQSA-N -1 1 327.373 2.069 20 0 EEADMM CC(=O)Nc1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC001588874786 1348939919 /nfs/dbraw/zinc/93/99/19/1348939919.db2.gz WMJLKDPJNKQMIU-UHFFFAOYSA-N -1 1 337.299 2.135 20 0 EEADMM CC(=O)Nc1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001588874786 1348939923 /nfs/dbraw/zinc/93/99/23/1348939923.db2.gz WMJLKDPJNKQMIU-UHFFFAOYSA-N -1 1 337.299 2.135 20 0 EEADMM CC(C)(C)OC(=O)C1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001589149565 1348965422 /nfs/dbraw/zinc/96/54/22/1348965422.db2.gz ZUSVVNHHXFEGDH-UHFFFAOYSA-N -1 1 330.392 2.186 20 0 EEADMM CC(C)(C)OC(=O)C1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001589149565 1348965426 /nfs/dbraw/zinc/96/54/26/1348965426.db2.gz ZUSVVNHHXFEGDH-UHFFFAOYSA-N -1 1 330.392 2.186 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001589201405 1348969512 /nfs/dbraw/zinc/96/95/12/1348969512.db2.gz IUHACWJXBQUFMP-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001589202982 1348969778 /nfs/dbraw/zinc/96/97/78/1348969778.db2.gz STTIJKURDZNQRI-UHFFFAOYSA-N -1 1 326.360 2.413 20 0 EEADMM CC(C)(NC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001589317758 1348982652 /nfs/dbraw/zinc/98/26/52/1348982652.db2.gz XLJJICSDHLIKAJ-UHFFFAOYSA-N -1 1 334.327 2.068 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cc(-c2nnn[n-]2)ncn1 ZINC001589628413 1349013174 /nfs/dbraw/zinc/01/31/74/1349013174.db2.gz BTMMWVMWCDHSPU-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1cc(-c2nn[n-]n2)ncn1 ZINC001589628413 1349013175 /nfs/dbraw/zinc/01/31/75/1349013175.db2.gz BTMMWVMWCDHSPU-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)Cn1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C1CC1 ZINC001589670859 1349018390 /nfs/dbraw/zinc/01/83/90/1349018390.db2.gz JNVQZEYSTBKION-UHFFFAOYSA-N -1 1 341.375 2.442 20 0 EEADMM CC(C)Cn1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C1CC1 ZINC001589670859 1349018395 /nfs/dbraw/zinc/01/83/95/1349018395.db2.gz JNVQZEYSTBKION-UHFFFAOYSA-N -1 1 341.375 2.442 20 0 EEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589678895 1349021088 /nfs/dbraw/zinc/02/10/88/1349021088.db2.gz WQFQPNCISUGJFH-UHFFFAOYSA-N -1 1 341.462 2.270 20 0 EEADMM CC(C)N(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589678895 1349021093 /nfs/dbraw/zinc/02/10/93/1349021093.db2.gz WQFQPNCISUGJFH-UHFFFAOYSA-N -1 1 341.462 2.270 20 0 EEADMM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589754052 1349030684 /nfs/dbraw/zinc/03/06/84/1349030684.db2.gz FJUZZQWPIPIUHF-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589754052 1349030691 /nfs/dbraw/zinc/03/06/91/1349030691.db2.gz FJUZZQWPIPIUHF-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001589758400 1349031509 /nfs/dbraw/zinc/03/15/09/1349031509.db2.gz JRKLDWQORYOUJX-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)Oc1cccc(CN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001589758400 1349031513 /nfs/dbraw/zinc/03/15/13/1349031513.db2.gz JRKLDWQORYOUJX-UHFFFAOYSA-N -1 1 325.376 2.080 20 0 EEADMM CC(C)c1nnc(COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC001589778954 1349039048 /nfs/dbraw/zinc/03/90/48/1349039048.db2.gz SBASSZRAXCKWMD-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM CC(C)c1nnc(COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC001589778954 1349039052 /nfs/dbraw/zinc/03/90/52/1349039052.db2.gz SBASSZRAXCKWMD-UHFFFAOYSA-N -1 1 336.402 2.260 20 0 EEADMM CC1(C)CC[C@@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590093927 1349150581 /nfs/dbraw/zinc/15/05/81/1349150581.db2.gz ZWUPTEHZIJKUDZ-YFKPBYRVSA-N -1 1 327.801 2.287 20 0 EEADMM CC1CCC(C)(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590225269 1349210755 /nfs/dbraw/zinc/21/07/55/1349210755.db2.gz KZLRRVHXGCTLIM-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM CC1CCC(C)(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590225269 1349210757 /nfs/dbraw/zinc/21/07/57/1349210757.db2.gz KZLRRVHXGCTLIM-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@@H](C)C1 ZINC001590235073 1349216008 /nfs/dbraw/zinc/21/60/08/1349216008.db2.gz GCXHEILUHHKYNO-YWVKMMECSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590246245 1349223477 /nfs/dbraw/zinc/22/34/77/1349223477.db2.gz BJBHFFZYAGDILH-GTNSWQLSSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590246245 1349223485 /nfs/dbraw/zinc/22/34/85/1349223485.db2.gz BJBHFFZYAGDILH-GTNSWQLSSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H](C2CC2)O1 ZINC001590314039 1349260632 /nfs/dbraw/zinc/26/06/32/1349260632.db2.gz PWTSKJZLNMJKLH-PIGZYNQJSA-N -1 1 336.399 2.419 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C2CC2)O1 ZINC001590314039 1349260634 /nfs/dbraw/zinc/26/06/34/1349260634.db2.gz PWTSKJZLNMJKLH-PIGZYNQJSA-N -1 1 336.399 2.419 20 0 EEADMM CC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cc(F)ccc1OC ZINC001590459753 1349336327 /nfs/dbraw/zinc/33/63/27/1349336327.db2.gz PDHRHRYTURHPIU-GFCCVEGCSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cc(F)ccc1OC ZINC001590459753 1349336343 /nfs/dbraw/zinc/33/63/43/1349336343.db2.gz PDHRHRYTURHPIU-GFCCVEGCSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@@H](OCCn1cc(-c2nn[n-]n2)ccc1=O)c1ccccc1 ZINC001590478978 1349350329 /nfs/dbraw/zinc/35/03/29/1349350329.db2.gz IIYXNRJTUHEBFZ-OAHLLOKOSA-N -1 1 325.372 2.196 20 0 EEADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001590558058 1349370656 /nfs/dbraw/zinc/37/06/56/1349370656.db2.gz JMCUPGABIKUOOD-LBPRGKRZSA-N -1 1 332.408 2.181 20 0 EEADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001590558058 1349370664 /nfs/dbraw/zinc/37/06/64/1349370664.db2.gz JMCUPGABIKUOOD-LBPRGKRZSA-N -1 1 332.408 2.181 20 0 EEADMM CCO[C@H](c1noc(-c2cccc(-c3nnn[n-]3)n2)n1)c1ccccc1 ZINC001590784854 1349398602 /nfs/dbraw/zinc/39/86/02/1349398602.db2.gz FVILTNJNXFYYEN-AWEZNQCLSA-N -1 1 349.354 2.438 20 0 EEADMM CCO[C@H](c1noc(-c2cccc(-c3nn[n-]n3)n2)n1)c1ccccc1 ZINC001590784854 1349398604 /nfs/dbraw/zinc/39/86/04/1349398604.db2.gz FVILTNJNXFYYEN-AWEZNQCLSA-N -1 1 349.354 2.438 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001590790489 1349400437 /nfs/dbraw/zinc/40/04/37/1349400437.db2.gz BZFMTUXGLMVNRM-STQMWFEESA-N -1 1 343.435 2.174 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001590790489 1349400438 /nfs/dbraw/zinc/40/04/38/1349400438.db2.gz BZFMTUXGLMVNRM-STQMWFEESA-N -1 1 343.435 2.174 20 0 EEADMM CCOc1cc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)nc(C)n1 ZINC001590827948 1349402374 /nfs/dbraw/zinc/40/23/74/1349402374.db2.gz DGVRFRGASJJZTC-UHFFFAOYSA-N -1 1 347.329 2.254 20 0 EEADMM CCOc1cc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)nc(C)n1 ZINC001590827948 1349402385 /nfs/dbraw/zinc/40/23/85/1349402385.db2.gz DGVRFRGASJJZTC-UHFFFAOYSA-N -1 1 347.329 2.254 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccc(F)cc1 ZINC001590991924 1349428121 /nfs/dbraw/zinc/42/81/21/1349428121.db2.gz BYGKFNRMJFLNKL-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591336401 1349463606 /nfs/dbraw/zinc/46/36/06/1349463606.db2.gz QEZFKZRIUOWJAF-BDJLRTHQSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591336401 1349463611 /nfs/dbraw/zinc/46/36/11/1349463611.db2.gz QEZFKZRIUOWJAF-BDJLRTHQSA-N -1 1 342.378 2.319 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C2CCC2)c1-c1nn[n-]n1 ZINC001591717387 1349534611 /nfs/dbraw/zinc/53/46/11/1349534611.db2.gz LWMCFZLCXVJGOK-UHFFFAOYSA-N -1 1 344.444 2.486 20 0 EEADMM Cc1cc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)on1 ZINC001591969838 1349571118 /nfs/dbraw/zinc/57/11/18/1349571118.db2.gz PVIISEFMJNGQQX-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1cc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)on1 ZINC001591969838 1349571125 /nfs/dbraw/zinc/57/11/25/1349571125.db2.gz PVIISEFMJNGQQX-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1ccc(SCCNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001592198442 1349604724 /nfs/dbraw/zinc/60/47/24/1349604724.db2.gz QQOYLDSMITXFHN-UHFFFAOYSA-N -1 1 327.417 2.478 20 0 EEADMM Cc1ccc(SCCNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001592198442 1349604730 /nfs/dbraw/zinc/60/47/30/1349604730.db2.gz QQOYLDSMITXFHN-UHFFFAOYSA-N -1 1 327.417 2.478 20 0 EEADMM Cc1ccn(-c2ccccc2CNc2cccnc2-c2nnn[n-]2)n1 ZINC001592264197 1349614054 /nfs/dbraw/zinc/61/40/54/1349614054.db2.gz ONEDHOOXPNWCCB-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccn(-c2ccccc2CNc2cccnc2-c2nn[n-]n2)n1 ZINC001592264197 1349614060 /nfs/dbraw/zinc/61/40/60/1349614060.db2.gz ONEDHOOXPNWCCB-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1[nH]nc(NC(=O)c2[nH]c3ccccc3c2Cl)c1-c1nn[n-]n1 ZINC001592331055 1349621714 /nfs/dbraw/zinc/62/17/14/1349621714.db2.gz UVDLMPGPNYGPSS-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2nc(C(F)(F)F)cs2)c1C ZINC001592341011 1349623020 /nfs/dbraw/zinc/62/30/20/1349623020.db2.gz NSZNROOYMFSHJX-UHFFFAOYSA-N -1 1 329.311 2.204 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2nc(C(F)(F)F)cs2)c1C ZINC001592341011 1349623022 /nfs/dbraw/zinc/62/30/22/1349623022.db2.gz NSZNROOYMFSHJX-UHFFFAOYSA-N -1 1 329.311 2.204 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC001592434244 1349631990 /nfs/dbraw/zinc/63/19/90/1349631990.db2.gz SADJIRZKTZFRHO-GQCTYLIASA-N -1 1 349.807 2.275 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC001592434244 1349631991 /nfs/dbraw/zinc/63/19/91/1349631991.db2.gz SADJIRZKTZFRHO-GQCTYLIASA-N -1 1 349.807 2.275 20 0 EEADMM Cc1nsc(N(C)C(=O)CC2CC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592468831 1349634808 /nfs/dbraw/zinc/63/48/08/1349634808.db2.gz SFOLSRQKASDYGT-UHFFFAOYSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1nsc(N(C)C(=O)CC2CC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592468831 1349634809 /nfs/dbraw/zinc/63/48/09/1349634809.db2.gz SFOLSRQKASDYGT-UHFFFAOYSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC001592494755 1349637283 /nfs/dbraw/zinc/63/72/83/1349637283.db2.gz CFBKPCHKWPTHEU-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC001592494755 1349637284 /nfs/dbraw/zinc/63/72/84/1349637284.db2.gz CFBKPCHKWPTHEU-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001592502099 1349638044 /nfs/dbraw/zinc/63/80/44/1349638044.db2.gz KYYDXRJPRUQNQC-PEGIJTEDSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001592502099 1349638045 /nfs/dbraw/zinc/63/80/45/1349638045.db2.gz KYYDXRJPRUQNQC-PEGIJTEDSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nnc(C(C)C)s1 ZINC001592503035 1349638066 /nfs/dbraw/zinc/63/80/66/1349638066.db2.gz AKLVQJWBQVDHCG-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nnc(C(C)C)s1 ZINC001592503035 1349638067 /nfs/dbraw/zinc/63/80/67/1349638067.db2.gz AKLVQJWBQVDHCG-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1CC(F)(F)C1 ZINC001592505022 1349642653 /nfs/dbraw/zinc/64/26/53/1349642653.db2.gz XKOMOOVXUFCORA-UHFFFAOYSA-N -1 1 348.313 2.086 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1CC(F)(F)C1 ZINC001592505022 1349642654 /nfs/dbraw/zinc/64/26/54/1349642654.db2.gz XKOMOOVXUFCORA-UHFFFAOYSA-N -1 1 348.313 2.086 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592510765 1349643646 /nfs/dbraw/zinc/64/36/46/1349643646.db2.gz XTHYKDWMRIMGRU-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592510765 1349643647 /nfs/dbraw/zinc/64/36/47/1349643647.db2.gz XTHYKDWMRIMGRU-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Clc1cc2cccnc2c(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592525959 1349647761 /nfs/dbraw/zinc/64/77/61/1349647761.db2.gz JITJWQNGLYDZSR-UHFFFAOYSA-N -1 1 326.751 2.404 20 0 EEADMM Clc1cc2cccnc2c(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592525959 1349647764 /nfs/dbraw/zinc/64/77/64/1349647764.db2.gz JITJWQNGLYDZSR-UHFFFAOYSA-N -1 1 326.751 2.404 20 0 EEADMM Clc1sc(NCc2nnc(C3CC3)s2)nc1-c1nn[n-]n1 ZINC001592543093 1349654851 /nfs/dbraw/zinc/65/48/51/1349654851.db2.gz MTOLQDKTLLXGHL-UHFFFAOYSA-N -1 1 340.825 2.318 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592619165 1349673662 /nfs/dbraw/zinc/67/36/62/1349673662.db2.gz FMYHAMGZKBPJIO-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592619165 1349673666 /nfs/dbraw/zinc/67/36/66/1349673666.db2.gz FMYHAMGZKBPJIO-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cnc1Cl ZINC001592639987 1349687998 /nfs/dbraw/zinc/68/79/98/1349687998.db2.gz KHDBSBVTAUACAG-UHFFFAOYSA-N -1 1 334.746 2.267 20 0 EEADMM Fc1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cnc1Cl ZINC001592639987 1349688002 /nfs/dbraw/zinc/68/80/02/1349688002.db2.gz KHDBSBVTAUACAG-UHFFFAOYSA-N -1 1 334.746 2.267 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cc(-c4nnn[n-]4)ncn3)CCO2)cc1 ZINC001592647389 1349693140 /nfs/dbraw/zinc/69/31/40/1349693140.db2.gz RHKOGDNILDTVSI-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cc(-c4nn[n-]n4)ncn3)CCO2)cc1 ZINC001592647389 1349693143 /nfs/dbraw/zinc/69/31/43/1349693143.db2.gz RHKOGDNILDTVSI-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1coc(-c2nnn[n-]2)c1 ZINC001592982246 1349731777 /nfs/dbraw/zinc/73/17/77/1349731777.db2.gz GNCVCCZJYXHSAU-CYBMUJFWSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1coc(-c2nn[n-]n2)c1 ZINC001592982246 1349731781 /nfs/dbraw/zinc/73/17/81/1349731781.db2.gz GNCVCCZJYXHSAU-CYBMUJFWSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc2ncsc2c1 ZINC001593137139 1349739814 /nfs/dbraw/zinc/73/98/14/1349739814.db2.gz ONYASMROUOAAPJ-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593205728 1349745600 /nfs/dbraw/zinc/74/56/00/1349745600.db2.gz BREQTTYZXKIDDU-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593205728 1349745601 /nfs/dbraw/zinc/74/56/01/1349745601.db2.gz BREQTTYZXKIDDU-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc2cc[nH]c2cn1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593212861 1349747758 /nfs/dbraw/zinc/74/77/58/1349747758.db2.gz SCWNVOBKBHRVLG-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1cccc(F)c1[O-])C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001593250352 1349750535 /nfs/dbraw/zinc/75/05/35/1349750535.db2.gz VOOGLDYZLFFWEO-UHFFFAOYSA-N -1 1 339.330 2.382 20 0 EEADMM O=C(OC1CCCC1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001593281227 1349760678 /nfs/dbraw/zinc/76/06/78/1349760678.db2.gz FPFHTCUDXUVYKS-UHFFFAOYSA-N -1 1 348.432 2.129 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(C2CCOCC2)CC1 ZINC001593360984 1349790362 /nfs/dbraw/zinc/79/03/62/1349790362.db2.gz OQHXEZNLPPXWJF-UHFFFAOYSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(C2CCOCC2)CC1 ZINC001593360984 1349790368 /nfs/dbraw/zinc/79/03/68/1349790368.db2.gz OQHXEZNLPPXWJF-UHFFFAOYSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCCC[C@@H]1c1ncon1 ZINC001593370755 1349791806 /nfs/dbraw/zinc/79/18/06/1349791806.db2.gz HQSHKUUREMVDMT-SNVBAGLBSA-N -1 1 345.388 2.069 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CC(F)(F)C(F)F ZINC001593494849 1349819617 /nfs/dbraw/zinc/81/96/17/1349819617.db2.gz QECDHRITRPUGIC-UHFFFAOYSA-N -1 1 327.241 2.082 20 0 EEADMM O[C@H](CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1ccco1 ZINC001593505599 1349823088 /nfs/dbraw/zinc/82/30/88/1349823088.db2.gz CHHHJLXVWNCCTJ-SECBINFHSA-N -1 1 340.265 2.019 20 0 EEADMM O[C@H](CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1ccco1 ZINC001593505599 1349823092 /nfs/dbraw/zinc/82/30/92/1349823092.db2.gz CHHHJLXVWNCCTJ-SECBINFHSA-N -1 1 340.265 2.019 20 0 EEADMM c1ccc2c(c1)CO[C@H](CNc1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001593579577 1349860754 /nfs/dbraw/zinc/86/07/54/1349860754.db2.gz KFIDOIYIDUHQHS-AWEZNQCLSA-N -1 1 349.398 2.088 20 0 EEADMM c1ccc2c(c1)CO[C@H](CNc1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001593579577 1349860756 /nfs/dbraw/zinc/86/07/56/1349860756.db2.gz KFIDOIYIDUHQHS-AWEZNQCLSA-N -1 1 349.398 2.088 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)n1C ZINC001599995741 1349951833 /nfs/dbraw/zinc/95/18/33/1349951833.db2.gz STCYBRVDTYYHNT-QGZVFWFLSA-N -1 1 343.427 2.341 20 0 EEADMM Cc1ccc(-c2ccc(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)s2)o1 ZINC001600313865 1350018039 /nfs/dbraw/zinc/01/80/39/1350018039.db2.gz RFGJHWSFJBBKEO-GFCCVEGCSA-N -1 1 348.424 2.405 20 0 EEADMM Cc1ccc(C(=O)N2CCC(C)(N3CCOCC3)CC2)cc1C(=O)[O-] ZINC001600331823 1350022259 /nfs/dbraw/zinc/02/22/59/1350022259.db2.gz FEFSJKWTRDLAIW-UHFFFAOYSA-N -1 1 346.427 2.020 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@]2(CCOC2)C1 ZINC001600356863 1350028481 /nfs/dbraw/zinc/02/84/81/1350028481.db2.gz OHZVOYBYXAUVCK-SFHVURJKSA-N -1 1 332.400 2.134 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2cccnc2)cc1F ZINC001600448441 1350054149 /nfs/dbraw/zinc/05/41/49/1350054149.db2.gz DETUVQRJWYXWJU-SFHVURJKSA-N -1 1 345.374 2.447 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])nc3)cc2s1 ZINC001600728735 1350122613 /nfs/dbraw/zinc/12/26/13/1350122613.db2.gz WUZVSVDAPFQKNV-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1nc[nH]c1-c1nnc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1CC(C)C ZINC001600732439 1350124071 /nfs/dbraw/zinc/12/40/71/1350124071.db2.gz OCQCKOOEKUMJGN-WCQYABFASA-N -1 1 346.435 2.180 20 0 EEADMM Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C[C@](C)(O)C(=O)[O-] ZINC001600784012 1350136653 /nfs/dbraw/zinc/13/66/53/1350136653.db2.gz BYNGIZDZYXNCPK-LRDDRELGSA-N -1 1 343.855 2.473 20 0 EEADMM Cc1oc(CN(C)C(=O)c2ccc(CN(C)C)nc2)cc1C(=O)[O-] ZINC001600842039 1350149200 /nfs/dbraw/zinc/14/92/00/1350149200.db2.gz QUONWVOTSDVNQB-UHFFFAOYSA-N -1 1 331.372 2.015 20 0 EEADMM Cn1nccc1[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001601034872 1350194574 /nfs/dbraw/zinc/19/45/74/1350194574.db2.gz AGPBWSOFAGUKJR-QGZVFWFLSA-N -1 1 347.390 2.203 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC2(CCC(O)CC2)CC1 ZINC001601307725 1350254235 /nfs/dbraw/zinc/25/42/35/1350254235.db2.gz DOQCWUXGXWDNCV-UHFFFAOYSA-N -1 1 346.427 2.340 20 0 EEADMM O=C([O-])c1cc(NC(=O)NCCCc2nc[nH]n2)cc2ccccc21 ZINC001601501373 1350297017 /nfs/dbraw/zinc/29/70/17/1350297017.db2.gz PKKDROCPDDTPFB-UHFFFAOYSA-N -1 1 339.355 2.410 20 0 EEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001601638643 1350325224 /nfs/dbraw/zinc/32/52/24/1350325224.db2.gz SYVPURLJPWTSCE-OLZOCXBDSA-N -1 1 344.333 2.173 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC001601698984 1350342110 /nfs/dbraw/zinc/34/21/10/1350342110.db2.gz UOMWAYDWQYQACG-KRWDZBQOSA-N -1 1 339.395 2.055 20 0 EEADMM O=C([O-])C1=NOC2(C1)CCN(Cc1nccn1-c1ccccc1)CC2 ZINC001601742634 1350352861 /nfs/dbraw/zinc/35/28/61/1350352861.db2.gz DBJPCLFCRQDFFO-UHFFFAOYSA-N -1 1 340.383 2.068 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@H]1CN(CCO)Cc1cccnc1Cl ZINC001601809330 1350369807 /nfs/dbraw/zinc/36/98/07/1350369807.db2.gz QLLIHDOZPKZZNX-JSGCOSHPSA-N -1 1 326.824 2.420 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@@H]([C@H]2CCCO2)C1 ZINC001601828337 1350374742 /nfs/dbraw/zinc/37/47/42/1350374742.db2.gz CRSLCKZYVFXQTH-KBRIMQKVSA-N -1 1 333.432 2.064 20 0 EEADMM O=C([O-])C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2Cl)CCOC1 ZINC001601933351 1350400904 /nfs/dbraw/zinc/40/09/04/1350400904.db2.gz VPXRBUHYFAPFLC-AWEZNQCLSA-N -1 1 347.198 2.155 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)cc1Cl ZINC001602338990 1350497927 /nfs/dbraw/zinc/49/79/27/1350497927.db2.gz RIZRSCXJKNNRIN-LBPRGKRZSA-N -1 1 337.807 2.028 20 0 EEADMM O=C([O-])c1ccccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001602468593 1350526545 /nfs/dbraw/zinc/52/65/45/1350526545.db2.gz BIKSJZUOHLBUBL-UHFFFAOYSA-N -1 1 326.400 2.308 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CC[C@@H]3CC3(Cl)Cl)C2)nn1 ZINC001602495391 1350531918 /nfs/dbraw/zinc/53/19/18/1350531918.db2.gz RZJRKDFQSVFBFO-ZJUUUORDSA-N -1 1 333.219 2.197 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001602902368 1350603089 /nfs/dbraw/zinc/60/30/89/1350603089.db2.gz WNTFSAOAKCXGQJ-TWGQIWQCSA-N -1 1 344.375 2.182 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001602902368 1350603096 /nfs/dbraw/zinc/60/30/96/1350603096.db2.gz WNTFSAOAKCXGQJ-TWGQIWQCSA-N -1 1 344.375 2.182 20 0 EEADMM CC(C)(C)OC(=O)CN(Cc1ccc(-c2nn[n-]n2)s1)CC1CC1 ZINC001603084794 1350637172 /nfs/dbraw/zinc/63/71/72/1350637172.db2.gz ATGFOPLYSQKPQZ-UHFFFAOYSA-N -1 1 349.460 2.482 20 0 EEADMM CC(=O)c1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001603123578 1350645308 /nfs/dbraw/zinc/64/53/08/1350645308.db2.gz SPRVAPFFUYWIAX-MBNYWOFBSA-N -1 1 332.400 2.259 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)c1coc([C@@H]2CCCN2)n1)c1ccccc1 ZINC001603189749 1350659325 /nfs/dbraw/zinc/65/93/25/1350659325.db2.gz GJOIABQQPWCPJM-WHOFXGATSA-N -1 1 343.383 2.291 20 0 EEADMM CC(C)Cc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001603307819 1350684297 /nfs/dbraw/zinc/68/42/97/1350684297.db2.gz LGNBILFVFLDIFD-UHFFFAOYSA-N -1 1 325.376 2.051 20 0 EEADMM CC(C)Cc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001603307819 1350684301 /nfs/dbraw/zinc/68/43/01/1350684301.db2.gz LGNBILFVFLDIFD-UHFFFAOYSA-N -1 1 325.376 2.051 20 0 EEADMM CC1(C)Cc2cccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c2O1 ZINC001603792723 1350768976 /nfs/dbraw/zinc/76/89/76/1350768976.db2.gz IKFSHJAQRKUXNV-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM CC1(C)Cc2cccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2O1 ZINC001603792723 1350768981 /nfs/dbraw/zinc/76/89/81/1350768981.db2.gz IKFSHJAQRKUXNV-UHFFFAOYSA-N -1 1 342.384 2.289 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603870881 1350788152 /nfs/dbraw/zinc/78/81/52/1350788152.db2.gz HYRUVFAJALBECS-DDHJBXDOSA-N -1 1 343.435 2.439 20 0 EEADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603870881 1350788153 /nfs/dbraw/zinc/78/81/53/1350788153.db2.gz HYRUVFAJALBECS-DDHJBXDOSA-N -1 1 343.435 2.439 20 0 EEADMM C[C@@H]1CCc2c(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)csc2C1 ZINC001603909008 1350800145 /nfs/dbraw/zinc/80/01/45/1350800145.db2.gz ATSZSDBDUUVGIA-SSDOTTSWSA-N -1 1 329.389 2.028 20 0 EEADMM C[C@@H]1CCc2c(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)csc2C1 ZINC001603909008 1350800148 /nfs/dbraw/zinc/80/01/48/1350800148.db2.gz ATSZSDBDUUVGIA-SSDOTTSWSA-N -1 1 329.389 2.028 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@H](C)S1 ZINC001603927738 1350803435 /nfs/dbraw/zinc/80/34/35/1350803435.db2.gz CAHAYIQWNZOKOJ-YUMQZZPRSA-N -1 1 339.371 2.111 20 0 EEADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@H](C)S1 ZINC001603927738 1350803440 /nfs/dbraw/zinc/80/34/40/1350803440.db2.gz CAHAYIQWNZOKOJ-YUMQZZPRSA-N -1 1 339.371 2.111 20 0 EEADMM CCC(O)(CC)CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001604066280 1350845357 /nfs/dbraw/zinc/84/53/57/1350845357.db2.gz RGYQQISQICIVPX-UHFFFAOYSA-N -1 1 327.392 2.163 20 0 EEADMM CCC(O)(CC)CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001604066280 1350845360 /nfs/dbraw/zinc/84/53/60/1350845360.db2.gz RGYQQISQICIVPX-UHFFFAOYSA-N -1 1 327.392 2.163 20 0 EEADMM CCC1(C)CCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001604081536 1350849391 /nfs/dbraw/zinc/84/93/91/1350849391.db2.gz CFUUTAQROIKBPU-UHFFFAOYSA-N -1 1 345.407 2.314 20 0 EEADMM CCC1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCOCC1 ZINC001604082002 1350850068 /nfs/dbraw/zinc/85/00/68/1350850068.db2.gz XSUYWJWIKMPMNR-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)CC1 ZINC001604102577 1350858318 /nfs/dbraw/zinc/85/83/18/1350858318.db2.gz DQCYBNDAOCMINH-LLVKDONJSA-N -1 1 342.407 2.272 20 0 EEADMM CC[C@@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)CC1 ZINC001604102577 1350858320 /nfs/dbraw/zinc/85/83/20/1350858320.db2.gz DQCYBNDAOCMINH-LLVKDONJSA-N -1 1 342.407 2.272 20 0 EEADMM CCCC(=O)N(C)CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001604120099 1350864886 /nfs/dbraw/zinc/86/48/86/1350864886.db2.gz PAZORMJODPOSBJ-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CCCC(=O)N(C)CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001604120099 1350864889 /nfs/dbraw/zinc/86/48/89/1350864889.db2.gz PAZORMJODPOSBJ-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CCC[C@@H](C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604134271 1350869492 /nfs/dbraw/zinc/86/94/92/1350869492.db2.gz DUEUGPOVVPEOLM-LDYMZIIASA-N -1 1 344.341 2.490 20 0 EEADMM CCC[C@@H](C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604134271 1350869493 /nfs/dbraw/zinc/86/94/93/1350869493.db2.gz DUEUGPOVVPEOLM-LDYMZIIASA-N -1 1 344.341 2.490 20 0 EEADMM CCC[C@H]1CCCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001604151863 1350875494 /nfs/dbraw/zinc/87/54/94/1350875494.db2.gz AFGKVKZWOWNBDC-NSHDSACASA-N -1 1 345.407 2.314 20 0 EEADMM CCCc1cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)n[nH]1 ZINC001604244367 1350901262 /nfs/dbraw/zinc/90/12/62/1350901262.db2.gz IVDRPCMRBBEWKQ-UHFFFAOYSA-N -1 1 336.359 2.276 20 0 EEADMM CCCn1ncc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)c1C1CC1 ZINC001604253270 1350903346 /nfs/dbraw/zinc/90/33/46/1350903346.db2.gz LHVMEBUYSKYEGS-UHFFFAOYSA-N -1 1 339.407 2.447 20 0 EEADMM CCCn1ncc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)c1C1CC1 ZINC001604253270 1350903348 /nfs/dbraw/zinc/90/33/48/1350903348.db2.gz LHVMEBUYSKYEGS-UHFFFAOYSA-N -1 1 339.407 2.447 20 0 EEADMM CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(C)c1 ZINC001604370232 1350924984 /nfs/dbraw/zinc/92/49/84/1350924984.db2.gz LFESFBJUMUKZLE-HNNXBMFYSA-N -1 1 329.404 2.093 20 0 EEADMM CCOc1cccc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001604465734 1350943082 /nfs/dbraw/zinc/94/30/82/1350943082.db2.gz SHWMXOFGYHONCN-UHFFFAOYSA-N -1 1 343.318 2.157 20 0 EEADMM CCOc1cccc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001604465734 1350943084 /nfs/dbraw/zinc/94/30/84/1350943084.db2.gz SHWMXOFGYHONCN-UHFFFAOYSA-N -1 1 343.318 2.157 20 0 EEADMM CCc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001604528581 1350955556 /nfs/dbraw/zinc/95/55/56/1350955556.db2.gz UGFMHIQLKISGGQ-UHFFFAOYSA-N -1 1 349.398 2.414 20 0 EEADMM CCc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001604528581 1350955559 /nfs/dbraw/zinc/95/55/59/1350955559.db2.gz UGFMHIQLKISGGQ-UHFFFAOYSA-N -1 1 349.398 2.414 20 0 EEADMM CC1(C)CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C[C@@]2(CCOC2)O1 ZINC001604544871 1350958274 /nfs/dbraw/zinc/95/82/74/1350958274.db2.gz IJOUHPCEGJIPLR-GOSISDBHSA-N -1 1 334.416 2.360 20 0 EEADMM CCc1nc(C)c(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001604553310 1350959787 /nfs/dbraw/zinc/95/97/87/1350959787.db2.gz ZQNVFZDSUYLFBA-UHFFFAOYSA-N -1 1 339.768 2.088 20 0 EEADMM CCn1c(C)cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001604596887 1350967586 /nfs/dbraw/zinc/96/75/86/1350967586.db2.gz XJFDPBMVGDZDNQ-UHFFFAOYSA-N -1 1 332.389 2.118 20 0 EEADMM CCn1c(C)cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001604596887 1350967588 /nfs/dbraw/zinc/96/75/88/1350967588.db2.gz XJFDPBMVGDZDNQ-UHFFFAOYSA-N -1 1 332.389 2.118 20 0 EEADMM CN(C)c1cccnc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001604703455 1350987843 /nfs/dbraw/zinc/98/78/43/1350987843.db2.gz BHTOXOZDRLXVOM-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1cccnc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001604703455 1350987846 /nfs/dbraw/zinc/98/78/46/1350987846.db2.gz BHTOXOZDRLXVOM-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM C[C@@H](NCCC(=O)N1CCC[C@@H](C)C1)c1ncc(C(=O)[O-])s1 ZINC001604734100 1350993958 /nfs/dbraw/zinc/99/39/58/1350993958.db2.gz LZDKGHAKUBFFFZ-GHMZBOCLSA-N -1 1 325.434 2.141 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604766676 1350999326 /nfs/dbraw/zinc/99/93/26/1350999326.db2.gz KZGKEYZYJGPDPY-HACGYAERSA-N -1 1 341.411 2.135 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1cnn2c1CCC2 ZINC001604810174 1351011374 /nfs/dbraw/zinc/01/13/74/1351011374.db2.gz FBKAGBCSWAQFRA-AWEZNQCLSA-N -1 1 340.427 2.238 20 0 EEADMM COC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)c(-c2nnn[n-]2)n1 ZINC001604973183 1351043178 /nfs/dbraw/zinc/04/31/78/1351043178.db2.gz MYZBYLUFNPDRMH-UHFFFAOYSA-N -1 1 344.419 2.311 20 0 EEADMM COC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)c(-c2nn[n-]n2)n1 ZINC001604973183 1351043181 /nfs/dbraw/zinc/04/31/81/1351043181.db2.gz MYZBYLUFNPDRMH-UHFFFAOYSA-N -1 1 344.419 2.311 20 0 EEADMM COc1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c(OC)c1 ZINC001605285314 1351124812 /nfs/dbraw/zinc/12/48/12/1351124812.db2.gz GKPMIGLEBDWQLV-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM COc1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(OC)c1 ZINC001605285314 1351124815 /nfs/dbraw/zinc/12/48/15/1351124815.db2.gz GKPMIGLEBDWQLV-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605380818 1351149892 /nfs/dbraw/zinc/14/98/92/1351149892.db2.gz PFHIOUBYIWJQGG-ZYHUDNBSSA-N -1 1 333.421 2.057 20 0 EEADMM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605380818 1351149894 /nfs/dbraw/zinc/14/98/94/1351149894.db2.gz PFHIOUBYIWJQGG-ZYHUDNBSSA-N -1 1 333.421 2.057 20 0 EEADMM CCN(C(C)=O)c1nc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1 ZINC001605405696 1351155210 /nfs/dbraw/zinc/15/52/10/1351155210.db2.gz WKDHOUZVKSEJBJ-UONOGXRCSA-N -1 1 337.445 2.059 20 0 EEADMM Cc1c(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC001605497127 1351171505 /nfs/dbraw/zinc/17/15/05/1351171505.db2.gz TZXDVJRAPQFORS-UHFFFAOYSA-N -1 1 341.379 2.067 20 0 EEADMM Cc1c(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC001605497127 1351171510 /nfs/dbraw/zinc/17/15/10/1351171510.db2.gz TZXDVJRAPQFORS-UHFFFAOYSA-N -1 1 341.379 2.067 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC001605568933 1351191253 /nfs/dbraw/zinc/19/12/53/1351191253.db2.gz XEOZAQMBMIFQLQ-HUUCEWRRSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC001605568933 1351191254 /nfs/dbraw/zinc/19/12/54/1351191254.db2.gz XEOZAQMBMIFQLQ-HUUCEWRRSA-N -1 1 339.403 2.135 20 0 EEADMM CCO[C@@H]1C[C@@](CO)(N[C@@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001605599468 1351198241 /nfs/dbraw/zinc/19/82/41/1351198241.db2.gz WISLUSGVOTWPNR-ISOBSLSZSA-N -1 1 328.434 2.058 20 0 EEADMM CCO[C@@H]1C[C@](NC(=O)c2[nH]nc3c2CCCCC3)(C(=O)[O-])C1(C)C ZINC001605609319 1351200456 /nfs/dbraw/zinc/20/04/56/1351200456.db2.gz WGOGWOKZWIXMMO-ACJLOTCBSA-N -1 1 349.431 2.067 20 0 EEADMM Cc1cc(Cl)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1N ZINC001605668251 1351214085 /nfs/dbraw/zinc/21/40/85/1351214085.db2.gz OEOODTLWNJISLK-UHFFFAOYSA-N -1 1 344.762 2.369 20 0 EEADMM Cc1ccc(C=CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001605834504 1351232181 /nfs/dbraw/zinc/23/21/81/1351232181.db2.gz YIZKYEACJVYPIG-SNAWJCMRSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1ccc(NCc2ccc(OC(F)F)cn2)nc1-c1nnn[n-]1 ZINC001605875229 1351243828 /nfs/dbraw/zinc/24/38/28/1351243828.db2.gz DSEUIWYMWFXBHB-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc(NCc2ccc(OC(F)F)cn2)nc1-c1nn[n-]n1 ZINC001605875229 1351243831 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Fc1ccc([C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001606317353 1351291877 /nfs/dbraw/zinc/29/18/77/1351291877.db2.gz WOEZXMWLZWOSQD-AWEZNQCLSA-N -1 1 329.335 2.172 20 0 EEADMM O=C(C[C@H]1CC=CCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001606498137 1351312114 /nfs/dbraw/zinc/31/21/14/1351312114.db2.gz YVRBLXNWDOYADR-NSHDSACASA-N -1 1 340.387 2.019 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC001606578134 1351325454 /nfs/dbraw/zinc/32/54/54/1351325454.db2.gz SFWVIYOLFZTGIK-VXGBXAGGSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606597982 1351329395 /nfs/dbraw/zinc/32/93/95/1351329395.db2.gz JZFDTKYFGKDFBN-UHFFFAOYSA-N -1 1 343.778 2.302 20 0 EEADMM O=C(Cn1ccc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606619266 1351333002 /nfs/dbraw/zinc/33/30/02/1351333002.db2.gz TYLUQJDOSWGEJR-UHFFFAOYSA-N -1 1 334.339 2.166 20 0 EEADMM O=C(NC[C@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606753376 1351351983 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YLPLNRICQUJQCQ-UHFFFAOYSA-N -1 1 347.165 2.077 20 0 EEADMM CCCC[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648212 1370348275 /nfs/dbraw/zinc/34/82/75/1370348275.db2.gz AIJDFWHQXYQGDA-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CCC(C)(C)CC(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001389360748 1388072738 /nfs/dbraw/zinc/07/27/38/1388072738.db2.gz VSBXVGKRDMGEFW-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(F)ccc2Cl)co1 ZINC000782297739 1371278510 /nfs/dbraw/zinc/27/85/10/1371278510.db2.gz NFVWMLJZEYBDLR-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116462485 1371726256 /nfs/dbraw/zinc/72/62/56/1371726256.db2.gz XBSBVLHCWBLJAY-MRVPVSSYSA-N -1 1 327.233 2.074 20 0 EEADMM C[C@H](CN(C)C(=O)c1cc(Cl)nc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000832125287 1372412067 /nfs/dbraw/zinc/41/20/67/1372412067.db2.gz AHWHPZNGRXSCEC-ZCFIWIBFSA-N -1 1 348.716 2.143 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cc(Cl)nc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000832125286 1372412615 /nfs/dbraw/zinc/41/26/15/1372412615.db2.gz AHWHPZNGRXSCEC-LURJTMIESA-N -1 1 348.716 2.143 20 0 EEADMM O=C(NCc1noc(C(F)(F)F)n1)c1ncc2ccccc2c1[O-] ZINC001139460594 1372504957 /nfs/dbraw/zinc/50/49/57/1372504957.db2.gz AYYMPYRQAJFKRW-UHFFFAOYSA-N -1 1 338.245 2.272 20 0 EEADMM CSc1ncc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(=O)[n-]1 ZINC001361605688 1373316084 /nfs/dbraw/zinc/31/60/84/1373316084.db2.gz YHAMIGRCWCTYML-UHFFFAOYSA-N -1 1 344.396 2.049 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)[C@@H](C)CSC(F)(F)F)[n-]1 ZINC001361649516 1373322885 /nfs/dbraw/zinc/32/28/85/1373322885.db2.gz JYLCCKCVRQRVLE-LURJTMIESA-N -1 1 325.312 2.414 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H](C)CSC(F)(F)F)n1 ZINC001361649516 1373322890 /nfs/dbraw/zinc/32/28/90/1373322890.db2.gz JYLCCKCVRQRVLE-LURJTMIESA-N -1 1 325.312 2.414 20 0 EEADMM NC(=O)C1CCC(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001361794222 1373339857 /nfs/dbraw/zinc/33/98/57/1373339857.db2.gz APTQLBKAFLMFKM-UHFFFAOYSA-N -1 1 328.368 2.025 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1CCCS1 ZINC001362467979 1373416994 /nfs/dbraw/zinc/41/69/94/1373416994.db2.gz XDRVRITVEKYRKW-WDEREUQCSA-N -1 1 341.799 2.093 20 0 EEADMM O=C(N[C@H](CO)c1ccccn1)c1ccc(Br)cc1[O-] ZINC001362929657 1373471121 /nfs/dbraw/zinc/47/11/21/1373471121.db2.gz VCPLNFHZHXCREY-GFCCVEGCSA-N -1 1 337.173 2.013 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC001363640680 1373541788 /nfs/dbraw/zinc/54/17/88/1373541788.db2.gz HQUPUMNBSUDPDT-FIQHERPVSA-N -1 1 336.354 2.002 20 0 EEADMM CC[C@@H]1CC[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)O1 ZINC001363640709 1373541818 /nfs/dbraw/zinc/54/18/18/1373541818.db2.gz HQUPUMNBSUDPDT-WHOHXGKFSA-N -1 1 336.354 2.002 20 0 EEADMM Cc1cccc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)c1C ZINC001389811651 1388309697 /nfs/dbraw/zinc/30/96/97/1388309697.db2.gz DHFGFQPZWLYJAY-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM Cc1coc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)c1 ZINC001371096211 1375221464 /nfs/dbraw/zinc/22/14/64/1375221464.db2.gz HCDYCYFMUOHILI-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001371323347 1375382807 /nfs/dbraw/zinc/38/28/07/1375382807.db2.gz HXCSGJPCVVELNX-LLVKDONJSA-N -1 1 347.440 2.438 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001372834959 1376235307 /nfs/dbraw/zinc/23/53/07/1376235307.db2.gz MMAIHXRUMNSZPK-MGPQQGTHSA-N -1 1 345.443 2.238 20 0 EEADMM CN(CCNC(=O)CCCC1CCCC1)C(=O)c1ncccc1[O-] ZINC001373511174 1376543756 /nfs/dbraw/zinc/54/37/56/1376543756.db2.gz IANVYEZCHCGQPU-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCC(CC)C(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001390259656 1388540129 /nfs/dbraw/zinc/54/01/29/1388540129.db2.gz CIYUVQYWAOCPMO-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CC1(C(=O)NC[C@]2(C)CCCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001390379139 1388614364 /nfs/dbraw/zinc/61/43/64/1388614364.db2.gz HVPVMGJPNWLBFD-SFHVURJKSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)CC1(C(=O)N2CCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001380281060 1381148017 /nfs/dbraw/zinc/14/80/17/1381148017.db2.gz DWXCKDIBHCAFEB-AWEZNQCLSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)CC1CC1 ZINC001381031137 1381492532 /nfs/dbraw/zinc/49/25/32/1381492532.db2.gz YQSGONWQTYBGLR-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(C)c1 ZINC001382230766 1382037350 /nfs/dbraw/zinc/03/73/50/1382037350.db2.gz AVTCDYKXDOKVLW-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cccc(Cl)c1 ZINC001383697604 1382645700 /nfs/dbraw/zinc/64/57/00/1382645700.db2.gz CRTIPJUOMCZUDT-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001384094764 1382794304 /nfs/dbraw/zinc/79/43/04/1382794304.db2.gz NUILMNPBKYCTBV-OLZOCXBDSA-N -1 1 333.432 2.333 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)CC1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001384355975 1382892781 /nfs/dbraw/zinc/89/27/81/1382892781.db2.gz LDYCCBIYWWTFTA-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CC1 ZINC001384355897 1382893244 /nfs/dbraw/zinc/89/32/44/1382893244.db2.gz KBDSVKZFTBUNBG-SMDDNHRTSA-N -1 1 333.432 2.094 20 0 EEADMM CCC1(C(=O)NC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C)CC1 ZINC001384498921 1384234943 /nfs/dbraw/zinc/23/49/43/1384234943.db2.gz MWOCFECWXJENDZ-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001384538023 1384578894 /nfs/dbraw/zinc/57/88/94/1384578894.db2.gz OXDISSXVTQNPBO-RYUDHWBXSA-N -1 1 333.432 2.237 20 0 EEADMM CC1(CNC(=O)c2ncccc2[O-])CCN(C(=O)C2=CCCC2)CC1 ZINC001394485352 1390710673 /nfs/dbraw/zinc/71/06/73/1390710673.db2.gz LDRAMOQHJIMUOR-UHFFFAOYSA-N -1 1 343.427 2.256 20 0 EEADMM CCCc1occc1C(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001395066023 1390780740 /nfs/dbraw/zinc/78/07/40/1390780740.db2.gz KIJHQVFVAWDFDD-GFCCVEGCSA-N -1 1 345.399 2.223 20 0 EEADMM Cc1cc(C)cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c1 ZINC001395562847 1390838439 /nfs/dbraw/zinc/83/84/39/1390838439.db2.gz WHFXCQKGIXTKSJ-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001396385932 1390940046 /nfs/dbraw/zinc/94/00/46/1390940046.db2.gz FCIZKQLFCCJYJW-KBPBESRZSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@H](CNC(=O)C1(C)CCCCCC1)NC(=O)c1ncccc1[O-] ZINC001397476913 1391252226 /nfs/dbraw/zinc/25/22/26/1391252226.db2.gz LSEFTARSMPLERE-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC1(CC(=O)NCC2(NC(=O)c3ncccc3[O-])CCCC2)CC1 ZINC001399131766 1394732133 /nfs/dbraw/zinc/73/21/33/1394732133.db2.gz HXJOMNMVKQMHCG-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCCCC(=O)N[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001399604126 1395303545 /nfs/dbraw/zinc/30/35/45/1395303545.db2.gz QBTXUPFERNHBCH-CQSZACIVSA-N -1 1 348.447 2.120 20 0 EEADMM CCCC[C@@H](C)C(=O)NCCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001401074738 1396909192 /nfs/dbraw/zinc/90/91/92/1396909192.db2.gz MEJZSNPULQBJOK-CYBMUJFWSA-N -1 1 337.468 2.055 20 0 EEADMM CCC(CC)C(=O)N1CCC(CCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001401308827 1397146208 /nfs/dbraw/zinc/14/62/08/1397146208.db2.gz RJLVZKHNTVBMIZ-UHFFFAOYSA-N -1 1 337.468 2.007 20 0 EEADMM C[C@@H](CC(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-])C1CC1 ZINC001426529114 1402083620 /nfs/dbraw/zinc/08/36/20/1402083620.db2.gz JKPHPZRTZWAEJC-ZDUSSCGKSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001427522443 1402459395 /nfs/dbraw/zinc/45/93/95/1402459395.db2.gz YARHEGURGWCKNT-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM Cc1oc(C)c(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])c1C ZINC001427521408 1402459535 /nfs/dbraw/zinc/45/95/35/1402459535.db2.gz WGZHATQMUVQSDA-JTQLQIEISA-N -1 1 345.399 2.196 20 0 EEADMM Cc1ccsc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428523083 1402737735 /nfs/dbraw/zinc/73/77/35/1402737735.db2.gz FGBCMDPHRJWEJT-NEPJUHHUSA-N -1 1 347.440 2.484 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CC1(C)CC1 ZINC001431988461 1403177634 /nfs/dbraw/zinc/17/76/34/1403177634.db2.gz NYHKNYYNOXLXRO-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)[C@@H](C)C(=O)N(C)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001432097519 1403198034 /nfs/dbraw/zinc/19/80/34/1403198034.db2.gz ADEMTSNMXGEUHG-CQSZACIVSA-N -1 1 347.459 2.390 20 0 EEADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001433621669 1403416677 /nfs/dbraw/zinc/41/66/77/1403416677.db2.gz XOSMBTHXYJERJW-UHFFFAOYSA-N -1 1 332.331 2.494 20 0 EEADMM CCC[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577274111 1403634000 /nfs/dbraw/zinc/63/40/00/1403634000.db2.gz HIJIBCCXVBULMI-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM COc1ccc(C[C@@H](C)CNc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001579995383 1403804534 /nfs/dbraw/zinc/80/45/34/1403804534.db2.gz CNPVFJILBFKHHV-LLVKDONJSA-N -1 1 339.403 2.264 20 0 EEADMM COc1ccc(C[C@@H](C)CNc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001579995383 1403804536 /nfs/dbraw/zinc/80/45/36/1403804536.db2.gz CNPVFJILBFKHHV-LLVKDONJSA-N -1 1 339.403 2.264 20 0 EEADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c(Br)c1 ZINC001581202758 1403877268 /nfs/dbraw/zinc/87/72/68/1403877268.db2.gz WTSQNPWKXFYNMC-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM COc1cc(Nc2ccc(-c3nnn[n-]3)nn2)ccc1OC(C)C ZINC001591547798 1403925265 /nfs/dbraw/zinc/92/52/65/1403925265.db2.gz NSQBMVRQTCFBSY-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1cc(Nc2ccc(-c3nn[n-]n3)nn2)ccc1OC(C)C ZINC001591547798 1403925272 /nfs/dbraw/zinc/92/52/72/1403925272.db2.gz NSQBMVRQTCFBSY-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM CSCc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591700636 1403940041 /nfs/dbraw/zinc/94/00/41/1403940041.db2.gz RFCNBQJHEDSVCX-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591700636 1403940055 /nfs/dbraw/zinc/94/00/55/1403940055.db2.gz RFCNBQJHEDSVCX-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCCCN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1cccnc1 ZINC001591700012 1403940620 /nfs/dbraw/zinc/94/06/20/1403940620.db2.gz XLUGJPTXSHMTJD-UHFFFAOYSA-N -1 1 344.400 2.255 20 0 EEADMM Cc1cc(-c2nn[nH]n2)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001591846295 1403964259 /nfs/dbraw/zinc/96/42/59/1403964259.db2.gz IOFBTZLFRNHTFY-BONVTDFDSA-N -1 1 329.404 2.169 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](Cn2cccn2)c2ccccc2)n1 ZINC001591892287 1403969670 /nfs/dbraw/zinc/96/96/70/1403969670.db2.gz XGUMRDDYMGXAKG-OAHLLOKOSA-N -1 1 347.386 2.015 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](Cn2cccn2)c2ccccc2)n1 ZINC001591892287 1403969675 /nfs/dbraw/zinc/96/96/75/1403969675.db2.gz XGUMRDDYMGXAKG-OAHLLOKOSA-N -1 1 347.386 2.015 20 0 EEADMM Cc1nc(NC[C@@]2(C)CCOC3(CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592386647 1404026225 /nfs/dbraw/zinc/02/62/25/1404026225.db2.gz XEYQTYIEKCXCCW-HNNXBMFYSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NC[C@@]2(C)CCOC3(CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592386647 1404026237 /nfs/dbraw/zinc/02/62/37/1404026237.db2.gz XEYQTYIEKCXCCW-HNNXBMFYSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1noc(C)c1CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592458420 1404694957 /nfs/dbraw/zinc/69/49/57/1404694957.db2.gz WXOFRYLXCQTMAY-UHFFFAOYSA-N -1 1 325.785 2.218 20 0 EEADMM Cc1noc(C)c1CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592458420 1404694968 /nfs/dbraw/zinc/69/49/68/1404694968.db2.gz WXOFRYLXCQTMAY-UHFFFAOYSA-N -1 1 325.785 2.218 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccccn2)c1-c1nnn[n-]1 ZINC001592480305 1404699193 /nfs/dbraw/zinc/69/91/93/1404699193.db2.gz XPFWIYUQHXCWOR-VIFPVBQESA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@@H](C)c2ccccn2)c1-c1nn[n-]n1 ZINC001592480305 1404699218 /nfs/dbraw/zinc/69/92/18/1404699218.db2.gz XPFWIYUQHXCWOR-VIFPVBQESA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)c1-c1nnn[n-]1 ZINC001592480890 1404701968 /nfs/dbraw/zinc/70/19/68/1404701968.db2.gz YEMXXTRPHVZKTP-XPTSAGLGSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)c1-c1nn[n-]n1 ZINC001592480890 1404701972 /nfs/dbraw/zinc/70/19/72/1404701972.db2.gz YEMXXTRPHVZKTP-XPTSAGLGSA-N -1 1 333.421 2.428 20 0 EEADMM O=C(NCC1CCC=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593033327 1404738415 /nfs/dbraw/zinc/73/84/15/1404738415.db2.gz IKGVJPWUTNRLQM-UHFFFAOYSA-N -1 1 332.795 2.391 20 0 EEADMM O=C(NCCc1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593105909 1404743784 /nfs/dbraw/zinc/74/37/84/1404743784.db2.gz BSEJCDANTRPIKA-UHFFFAOYSA-N -1 1 329.310 2.117 20 0 EEADMM O=C(NCCc1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593105909 1404743790 /nfs/dbraw/zinc/74/37/90/1404743790.db2.gz BSEJCDANTRPIKA-UHFFFAOYSA-N -1 1 329.310 2.117 20 0 EEADMM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593223393 1404746040 /nfs/dbraw/zinc/74/60/40/1404746040.db2.gz IAQZRQUWSKJUOD-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593223393 1404746041 /nfs/dbraw/zinc/74/60/41/1404746041.db2.gz IAQZRQUWSKJUOD-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)co1 ZINC001606015241 1404754761 /nfs/dbraw/zinc/75/47/61/1404754761.db2.gz IWJDZVIMURSCQD-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1nc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)co1 ZINC001606015241 1404754764 /nfs/dbraw/zinc/75/47/64/1404754764.db2.gz IWJDZVIMURSCQD-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001606019494 1404756330 /nfs/dbraw/zinc/75/63/30/1404756330.db2.gz FXCGAJUVOAQWIX-QGZVFWFLSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001606019494 1404756333 /nfs/dbraw/zinc/75/63/33/1404756333.db2.gz FXCGAJUVOAQWIX-QGZVFWFLSA-N -1 1 339.378 2.349 20 0 EEADMM CN(C)Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cn1 ZINC001606033702 1404758189 /nfs/dbraw/zinc/75/81/89/1404758189.db2.gz IHSVCAQFBPDSPY-CQSZACIVSA-N -1 1 339.395 2.362 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NC[C@H]2CCCOC2)c1 ZINC001606293409 1404779624 /nfs/dbraw/zinc/77/96/24/1404779624.db2.gz OMZQVZZJYCZZFP-MRVPVSSYSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NC[C@H]2CCCOC2)c1 ZINC001606293409 1404779635 /nfs/dbraw/zinc/77/96/35/1404779635.db2.gz OMZQVZZJYCZZFP-MRVPVSSYSA-N -1 1 328.298 2.119 20 0 EEADMM Fc1cc(F)cc(Cc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC001606312456 1404788818 /nfs/dbraw/zinc/78/88/18/1404788818.db2.gz PBSQVUCIJLRFPJ-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM Fc1cc(F)cc(Cc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC001606312456 1404788823 /nfs/dbraw/zinc/78/88/23/1404788823.db2.gz PBSQVUCIJLRFPJ-UHFFFAOYSA-N -1 1 341.281 2.181 20 0 EEADMM C[C@@H](CCCNC(=O)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001756295249 1408297876 /nfs/dbraw/zinc/29/78/76/1408297876.db2.gz AUEXUVQBALMDDE-ZDUSSCGKSA-N -1 1 327.384 2.116 20 0 EEADMM Cc1ccc(OC(F)F)c(CNCc2cn(C)nc2C(=O)[O-])c1 ZINC001771907154 1409975887 /nfs/dbraw/zinc/97/58/87/1409975887.db2.gz RCKOZZPFFSOLHT-UHFFFAOYSA-N -1 1 325.315 2.318 20 0 EEADMM CC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC000942336125 782207246 /nfs/dbraw/zinc/20/72/46/782207246.db2.gz BUGXZFIZRDDUPB-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCc3c(O)cccc32)n1 ZINC000846649823 790310901 /nfs/dbraw/zinc/31/09/01/790310901.db2.gz AOGGABBFZOXKOQ-GFCCVEGCSA-N -1 1 329.356 2.351 20 0 EEADMM O=C(NC1CCN(C(=O)C23CCC(CC2)C3)CC1)c1ncccc1[O-] ZINC000947333919 790313741 /nfs/dbraw/zinc/31/37/41/790313741.db2.gz XEWSDPCOYBCAHI-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM CCCC[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000780384711 761466875 /nfs/dbraw/zinc/46/68/75/761466875.db2.gz KNUVQRNMCLFESZ-QWHCGFSZSA-N -1 1 327.450 2.293 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000780354787 765366072 /nfs/dbraw/zinc/36/60/72/765366072.db2.gz WXZBZQJARSCXGU-CQSZACIVSA-N -1 1 337.395 2.125 20 0 EEADMM COc1ccc(C(C)C)cc1C[NH2+]CCNC(=O)c1ncccc1[O-] ZINC001126125219 770025377 /nfs/dbraw/zinc/02/53/77/770025377.db2.gz PGGZZRSLRCZJDI-UHFFFAOYSA-N -1 1 343.427 2.439 20 0 EEADMM CCOC(=O)[C@@H](C[C@@H](C)CC)[N-]S(=O)(=O)Cc1csc(C)n1 ZINC000921382961 773318129 /nfs/dbraw/zinc/31/81/29/773318129.db2.gz MOBLRUJRCSQQRW-GXFFZTMASA-N -1 1 348.490 2.239 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000942758209 783145862 /nfs/dbraw/zinc/14/58/62/783145862.db2.gz LNCJVOLTZKBSNL-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000938807724 774699590 /nfs/dbraw/zinc/69/95/90/774699590.db2.gz ZDRWRVLXTUSJTN-QWHCGFSZSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(NC[C@]12CCC[C@H]1N(C(=O)C1CCC1)CC2)c1ncccc1[O-] ZINC000995280904 783200523 /nfs/dbraw/zinc/20/05/23/783200523.db2.gz ZILPMUCZMWGSMM-DNVCBOLYSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1cn(Cc2cccs2)nn1 ZINC000188349063 775756621 /nfs/dbraw/zinc/75/66/21/775756621.db2.gz VEGYHOXVHRKWCF-UHFFFAOYSA-N -1 1 335.776 2.394 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC000939655734 777109663 /nfs/dbraw/zinc/10/96/63/777109663.db2.gz RJUKQPVGZYWSFL-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939872188 777569835 /nfs/dbraw/zinc/56/98/35/777569835.db2.gz BRXNNCDWTFIIEI-JSGCOSHPSA-N -1 1 349.479 2.053 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC=CC1 ZINC000946297426 790818648 /nfs/dbraw/zinc/81/86/48/790818648.db2.gz DNTBZMYQLSTORU-KGLIPLIRSA-N -1 1 343.427 2.158 20 0 EEADMM CCCOc1cccc(F)c1[N-]S(=O)(=O)c1cncc(N)c1 ZINC001211787349 780888459 /nfs/dbraw/zinc/88/84/59/780888459.db2.gz DKPKQGCFAMEKMB-UHFFFAOYSA-N -1 1 325.365 2.393 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccccc1NC(=O)C(C)(C)C)c1nn[n-]n1 ZINC000183435831 780941013 /nfs/dbraw/zinc/94/10/13/780941013.db2.gz ISJRUOAWJZYINC-NSHDSACASA-N -1 1 344.419 2.060 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cncnc2C2CC2)Cc2ccccc2C1 ZINC001167936657 781002379 /nfs/dbraw/zinc/00/23/79/781002379.db2.gz KZZCRTZZDMKCSX-UHFFFAOYSA-N -1 1 331.312 2.439 20 0 EEADMM O=C(CC1=CCCCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088280503 783348029 /nfs/dbraw/zinc/34/80/29/783348029.db2.gz SBRVAJAOROQCQA-HNNXBMFYSA-N -1 1 347.463 2.262 20 0 EEADMM CC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001035066700 783617858 /nfs/dbraw/zinc/61/78/58/783617858.db2.gz FJLSFPNGZVKCIS-HUUCEWRRSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1cccc([C@H](C(=O)[O-])N2CCN(C(=O)OCC3CC3)CC2)c1 ZINC000905988279 783621962 /nfs/dbraw/zinc/62/19/62/783621962.db2.gz GODLFUPRCIRGSU-MRXNPFEDSA-N -1 1 332.400 2.285 20 0 EEADMM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000816110469 783701328 /nfs/dbraw/zinc/70/13/28/783701328.db2.gz AFLHTRQKGMAJMU-JKSUJKDBSA-N -1 1 340.489 2.416 20 0 EEADMM Cc1nsc(N[C@@H](C)C2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001061839489 783743952 /nfs/dbraw/zinc/74/39/52/783743952.db2.gz CZAVLBUQVSSEKL-JTQLQIEISA-N -1 1 347.444 2.300 20 0 EEADMM CCC[C@H](NC(=O)Cc1coc2c1ccc(F)c2F)c1nn[n-]n1 ZINC000906930951 784249084 /nfs/dbraw/zinc/24/90/84/784249084.db2.gz SLJITRMERHGUKH-NSHDSACASA-N -1 1 335.314 2.424 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000945591235 784415809 /nfs/dbraw/zinc/41/58/09/784415809.db2.gz TVDVPQXEBXYUKR-OLZOCXBDSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H](CSc1ccccc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907472887 784641354 /nfs/dbraw/zinc/64/13/54/784641354.db2.gz DPBMBCCIZMPBEC-YPMHNXCESA-N -1 1 349.485 2.245 20 0 EEADMM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907783754 784864368 /nfs/dbraw/zinc/86/43/68/784864368.db2.gz NIJIEGKFNSFVMA-SFHVURJKSA-N -1 1 347.415 2.111 20 0 EEADMM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000908046835 785046298 /nfs/dbraw/zinc/04/62/98/785046298.db2.gz WEJONENWKHYKNA-HNNXBMFYSA-N -1 1 327.384 2.140 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2cccc(CC(=O)[O-])c2)C1 ZINC000908089174 785056535 /nfs/dbraw/zinc/05/65/35/785056535.db2.gz UGPUHQLKBLBOSD-IAQYHMDHSA-N -1 1 327.384 2.366 20 0 EEADMM CC(C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)c1ccccc1 ZINC000908334037 785331407 /nfs/dbraw/zinc/33/14/07/785331407.db2.gz IHNJBEUGJAAQMD-UHFFFAOYSA-N -1 1 325.368 2.451 20 0 EEADMM Cc1nc(C[NH2+][C@@H]2CCN(C(=O)c3ncccc3O)C[C@@H]2C)oc1C ZINC001036002119 785552209 /nfs/dbraw/zinc/55/22/09/785552209.db2.gz LNWCUEJAEFZEGT-SMDDNHRTSA-N -1 1 344.415 2.032 20 0 EEADMM CCCCCCO[C@H](C)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819966835 785722241 /nfs/dbraw/zinc/72/22/41/785722241.db2.gz DUEPSSKXVJOOQL-CHWSQXEVSA-N -1 1 325.409 2.467 20 0 EEADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)CN2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000908785980 785723398 /nfs/dbraw/zinc/72/33/98/785723398.db2.gz UAXQYPBMAZLMMX-DGCLKSJQSA-N -1 1 339.461 2.076 20 0 EEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000908792519 785729157 /nfs/dbraw/zinc/72/91/57/785729157.db2.gz OIOCBXGLZYLZHF-HNNXBMFYSA-N -1 1 343.427 2.013 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCCc2c[nH]c3ccccc23)C1 ZINC000908792519 785729163 /nfs/dbraw/zinc/72/91/63/785729163.db2.gz OIOCBXGLZYLZHF-HNNXBMFYSA-N -1 1 343.427 2.013 20 0 EEADMM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000909071870 785960922 /nfs/dbraw/zinc/96/09/22/785960922.db2.gz YDOXEWDHCXTLLT-KZULUSFZSA-N -1 1 341.411 2.409 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(F)c1 ZINC000909680052 786163802 /nfs/dbraw/zinc/16/38/02/786163802.db2.gz DBRMZYRVPSVHTE-FZKQIMNGSA-N -1 1 345.374 2.475 20 0 EEADMM CC(C)[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000909696612 786177110 /nfs/dbraw/zinc/17/71/10/786177110.db2.gz URGYWYVEOLMUAR-ZWKOTPCHSA-N -1 1 346.471 2.414 20 0 EEADMM O=C([O-])c1csc(-c2cccc(CNC(=O)CN3CCCC3)c2)n1 ZINC000909806917 786265853 /nfs/dbraw/zinc/26/58/53/786265853.db2.gz HJUSUIRCKMQCRC-UHFFFAOYSA-N -1 1 345.424 2.220 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccc3ccsc32)C1 ZINC000909874480 786307873 /nfs/dbraw/zinc/30/78/73/786307873.db2.gz QGKPWCSQYDWXFE-CQSZACIVSA-N -1 1 332.425 2.314 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]cc3ncnc2-3)[C@H]2CCCC[C@@H]12 ZINC000909965867 786366489 /nfs/dbraw/zinc/36/64/89/786366489.db2.gz ZOEMKYQKBNGIQL-WDMOLILDSA-N -1 1 328.372 2.063 20 0 EEADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1 ZINC000910067743 786429182 /nfs/dbraw/zinc/42/91/82/786429182.db2.gz DBXQGCSCDUTOSF-MEDUHNTESA-N -1 1 339.395 2.359 20 0 EEADMM CN1CCCC[C@H]1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000910215538 786528052 /nfs/dbraw/zinc/52/80/52/786528052.db2.gz SISYJIIAGAMYIT-LBPRGKRZSA-N -1 1 337.445 2.032 20 0 EEADMM CC(C)COc1cccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000910244213 786570256 /nfs/dbraw/zinc/57/02/56/786570256.db2.gz DEDNXCKBOKDFLL-AWEZNQCLSA-N -1 1 334.416 2.457 20 0 EEADMM C[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036547535 786637858 /nfs/dbraw/zinc/63/78/58/786637858.db2.gz CNNJTQRFJXDIKX-GXTWGEPZSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1c1nnc(-c2ccccc2)s1 ZINC000910455243 786782696 /nfs/dbraw/zinc/78/26/96/786782696.db2.gz JRIWVQQZYZTNTQ-LBPRGKRZSA-N -1 1 332.429 2.190 20 0 EEADMM COC1(OC)CC(NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000911047320 787214381 /nfs/dbraw/zinc/21/43/81/787214381.db2.gz MIJAGAMJBKLVCH-UHFFFAOYSA-N -1 1 330.178 2.036 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)c1ncccc1[O-])C1(CCF)CC1 ZINC001062149844 787485286 /nfs/dbraw/zinc/48/52/86/787485286.db2.gz NHZLVZSIVUZLJA-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM O=C(Cc1n[nH]c2c1CCCC2)N[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000911780681 787708496 /nfs/dbraw/zinc/70/84/96/787708496.db2.gz CCCILDQDRIJYBA-QGZVFWFLSA-N -1 1 333.432 2.371 20 0 EEADMM O=C(N[C@@H](C1CC1)C1(CO)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000911986876 787874769 /nfs/dbraw/zinc/87/47/69/787874769.db2.gz RCKGWMJNFPWLTP-HNNXBMFYSA-N -1 1 339.819 2.343 20 0 EEADMM CC1(CCC(=O)N2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001062338220 787925561 /nfs/dbraw/zinc/92/55/61/787925561.db2.gz WLNDRVLDBPCHQJ-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM COC(=O)[C@@](C)([N-]C(=O)C(F)F)c1cccc(Br)c1 ZINC000787338824 807095665 /nfs/dbraw/zinc/09/56/65/807095665.db2.gz LMCIULXKZVHQDR-LBPRGKRZSA-N -1 1 336.132 2.219 20 0 EEADMM CSc1nc(CNC(=O)CCSc2ccccn2)cc(=O)[n-]1 ZINC000912246440 788076863 /nfs/dbraw/zinc/07/68/63/788076863.db2.gz DMTMRUOTCCDWFA-UHFFFAOYSA-N -1 1 336.442 2.098 20 0 EEADMM C[C@H](CO)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000824440577 788171998 /nfs/dbraw/zinc/17/19/98/788171998.db2.gz GEOYTZMYOFFSCJ-NSHDSACASA-N -1 1 326.360 2.094 20 0 EEADMM CCCOc1cccc(CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912861466 788421753 /nfs/dbraw/zinc/42/17/53/788421753.db2.gz MDOJLFDJYCODOR-AWEZNQCLSA-N -1 1 349.460 2.142 20 0 EEADMM CSCC[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1nn[n-]n1 ZINC000912861396 788421968 /nfs/dbraw/zinc/42/19/68/788421968.db2.gz JEGYFVCRQIAFPH-JTQLQIEISA-N -1 1 335.364 2.309 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912862314 788423754 /nfs/dbraw/zinc/42/37/54/788423754.db2.gz MFWCRXYAVCBGJJ-AGIUHOORSA-N -1 1 341.481 2.096 20 0 EEADMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000828076871 788437440 /nfs/dbraw/zinc/43/74/40/788437440.db2.gz YKPLPCRRNBPZNP-IUCAKERBSA-N -1 1 341.260 2.464 20 0 EEADMM C[C@]1(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)CC=CCC1 ZINC000946845402 788576089 /nfs/dbraw/zinc/57/60/89/788576089.db2.gz MPOIYEMOJMVIHN-IBGZPJMESA-N -1 1 343.427 2.254 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CNc1cccc(F)n1 ZINC001060242684 788729587 /nfs/dbraw/zinc/72/95/87/788729587.db2.gz YCQIVGSZJFERDS-GFCCVEGCSA-N -1 1 330.363 2.428 20 0 EEADMM COc1ccc([C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C2CC2)cn1 ZINC000913354787 788811009 /nfs/dbraw/zinc/81/10/09/788811009.db2.gz XIUUBGGTPLCRSM-OAHLLOKOSA-N -1 1 340.383 2.344 20 0 EEADMM CC(C)[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1cccnc1 ZINC000913437262 788874162 /nfs/dbraw/zinc/87/41/62/788874162.db2.gz KWBXKRSOBOTDBI-CVEARBPZSA-N -1 1 336.399 2.240 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CCCN1c1ccccc1 ZINC000913439169 788875984 /nfs/dbraw/zinc/87/59/84/788875984.db2.gz ZWYQMDKBEQOZFV-IAGOWNOFSA-N -1 1 348.410 2.074 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001005952300 788993434 /nfs/dbraw/zinc/99/34/34/788993434.db2.gz APDNVVCSWVLFBU-GXTWGEPZSA-N -1 1 345.443 2.190 20 0 EEADMM COC(=O)C[C@@H](Nc1nc(C)cc2c1C(=O)[N-]C2=O)C1CCCCC1 ZINC001160561607 789641182 /nfs/dbraw/zinc/64/11/82/789641182.db2.gz KUGIPKPWQMXAKQ-CYBMUJFWSA-N -1 1 345.399 2.198 20 0 EEADMM O=C(NC1CN(Cc2c(F)cccc2Cl)C1)c1ncccc1[O-] ZINC001030240113 789858656 /nfs/dbraw/zinc/85/86/56/789858656.db2.gz UFXVZKVSYGFACI-UHFFFAOYSA-N -1 1 335.766 2.194 20 0 EEADMM CCOC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144544721 789917533 /nfs/dbraw/zinc/91/75/33/789917533.db2.gz DSYXSNJIDVFTCN-NVXWUHKLSA-N -1 1 341.354 2.215 20 0 EEADMM O=C(c1ccc(O)cc1)N1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144663869 790019402 /nfs/dbraw/zinc/01/94/02/790019402.db2.gz MFNKMWHMGKASCN-UHFFFAOYSA-N -1 1 348.349 2.334 20 0 EEADMM Cc1ccc(N(CC(C)C)C(=O)CCn2cc[n-]c(=O)c2=O)c(C)c1 ZINC000846298469 790123972 /nfs/dbraw/zinc/12/39/72/790123972.db2.gz GDDVUWRGXIREGY-UHFFFAOYSA-N -1 1 343.427 2.233 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1cncc(Cl)n1 ZINC001063737976 791626543 /nfs/dbraw/zinc/62/65/43/791626543.db2.gz YPJMBXZVYLHHKR-GHMZBOCLSA-N -1 1 347.806 2.193 20 0 EEADMM O=C(NCCNCc1ccccc1Cl)c1ccc2oc(=O)nc-2[n-]1 ZINC001147705078 791919606 /nfs/dbraw/zinc/91/96/06/791919606.db2.gz DBBFHVVRMXQZHE-UHFFFAOYSA-N -1 1 346.774 2.101 20 0 EEADMM Cc1nc2sccc2c(NC(=O)c2c([O-])c(C)ncc2CO)n1 ZINC001147833573 791990314 /nfs/dbraw/zinc/99/03/14/791990314.db2.gz IADLQGOPERFUGO-UHFFFAOYSA-N -1 1 330.369 2.153 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1cc(F)ncn1 ZINC001063938277 792000990 /nfs/dbraw/zinc/00/09/90/792000990.db2.gz OBPCXRSJXNLYOE-VXGBXAGGSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ccnc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063938710 792003066 /nfs/dbraw/zinc/00/30/66/792003066.db2.gz QWMMBFKATAJSJM-JSGCOSHPSA-N -1 1 341.415 2.238 20 0 EEADMM COC1CCC(NC(=O)c2ccc(-n3[n-]c(C)cc3=O)cc2)CC1 ZINC001148335645 792346395 /nfs/dbraw/zinc/34/63/95/792346395.db2.gz DFCDHUPCUVZWMX-UHFFFAOYSA-N -1 1 329.400 2.487 20 0 EEADMM O=C(NCC1CC(NC(=O)C2=CCCCCC2)C1)c1ncccc1[O-] ZINC000992049034 792474038 /nfs/dbraw/zinc/47/40/38/792474038.db2.gz NEWHMQZTOUXMCJ-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM CC(C)(C)CCC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064156182 792498613 /nfs/dbraw/zinc/49/86/13/792498613.db2.gz OYSJQKSKUMHPNK-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1cc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc(C)c1O ZINC001148550093 792526794 /nfs/dbraw/zinc/52/67/94/792526794.db2.gz NKWRHMDDRLIAML-UHFFFAOYSA-N -1 1 331.332 2.221 20 0 EEADMM O=C(Nc1ncnc2n[nH]nc21)c1cccc(-c2ccccc2)c1[O-] ZINC001148861747 792751471 /nfs/dbraw/zinc/75/14/71/792751471.db2.gz WKZBAHCXLILFKE-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM CN1CCO[C@H]2CN(C(=O)c3cccc(-c4ccccc4)c3[O-])C[C@H]21 ZINC001148867448 792754288 /nfs/dbraw/zinc/75/42/88/792754288.db2.gz VEUMVDYDUVMHTH-MSOLQXFVSA-N -1 1 338.407 2.214 20 0 EEADMM CCc1ncnc(N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])c1F ZINC001089271687 793916877 /nfs/dbraw/zinc/91/68/77/793916877.db2.gz KPQGBBIBFMTNLM-MNOVXSKESA-N -1 1 347.394 2.288 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000913655511 794034642 /nfs/dbraw/zinc/03/46/42/794034642.db2.gz SVMMCGUQGHSAKP-HOTGVXAUSA-N -1 1 339.395 2.398 20 0 EEADMM CCOC(=O)c1cc([O-])c(Br)c(OC[C@@H]2CCO2)c1 ZINC001234062423 794355575 /nfs/dbraw/zinc/35/55/75/794355575.db2.gz CGUDYMJTDUOAQK-VIFPVBQESA-N -1 1 331.162 2.499 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC([C@H]2[N@H+](CCF)CC23CCC3)CC1 ZINC001093367984 795097363 /nfs/dbraw/zinc/09/73/63/795097363.db2.gz UFTKKEXEKISQRF-QGZVFWFLSA-N -1 1 347.434 2.463 20 0 EEADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(Br)cc1[O-] ZINC000715903563 795557163 /nfs/dbraw/zinc/55/71/63/795557163.db2.gz HLXSUYRJYZADRD-GFCCVEGCSA-N -1 1 342.189 2.180 20 0 EEADMM CCC(=O)NCc1ccc([C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001060533674 796013552 /nfs/dbraw/zinc/01/35/52/796013552.db2.gz JLXUXOWRJOCPJH-LBPRGKRZSA-N -1 1 327.384 2.304 20 0 EEADMM Cc1nc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)c(C)o1 ZINC000993235835 796154308 /nfs/dbraw/zinc/15/43/08/796154308.db2.gz ADKMCKHGXQQIQD-SMDDNHRTSA-N -1 1 344.415 2.175 20 0 EEADMM CCCc1nsc(NCCN(CC)C(=O)c2ncccc2[O-])n1 ZINC001106727721 796297070 /nfs/dbraw/zinc/29/70/70/796297070.db2.gz YTDXGWVMNAKURN-UHFFFAOYSA-N -1 1 335.433 2.165 20 0 EEADMM O=C(CCOC[C@H]1CCCO1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000915538725 796310681 /nfs/dbraw/zinc/31/06/81/796310681.db2.gz DOAVZWAAXPLWOF-CQSZACIVSA-N -1 1 348.351 2.128 20 0 EEADMM COc1ncc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)s1 ZINC000916084929 797500033 /nfs/dbraw/zinc/50/00/33/797500033.db2.gz DVQNIXPYUBOBQV-QMMMGPOBSA-N -1 1 331.246 2.014 20 0 EEADMM CN(C)c1nc(Nc2ccc(C(=O)N3CCCC3)cc2)cc(=O)[n-]1 ZINC001174067403 797688349 /nfs/dbraw/zinc/68/83/49/797688349.db2.gz HVKFJYNUKRONLU-UHFFFAOYSA-N -1 1 327.388 2.228 20 0 EEADMM CN1CCN(c2cncc(Nc3ccc(CC(=O)[O-])cc3)c2)CC1 ZINC001174950112 797943546 /nfs/dbraw/zinc/94/35/46/797943546.db2.gz OFADPODEZLGTIT-UHFFFAOYSA-N -1 1 326.400 2.204 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccccc2N(C)C)no1 ZINC001212768192 798015952 /nfs/dbraw/zinc/01/59/52/798015952.db2.gz SGFRPVMHSXLXGJ-UHFFFAOYSA-N -1 1 327.344 2.369 20 0 EEADMM Cn1cc2cc(Nc3cc(S(=O)(=O)C(N)=O)ccc3[O-])ccc2n1 ZINC001175624823 798168910 /nfs/dbraw/zinc/16/89/10/798168910.db2.gz DQNFRDVFSXLGLS-UHFFFAOYSA-N -1 1 346.368 2.289 20 0 EEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)cc1 ZINC001175632906 798172364 /nfs/dbraw/zinc/17/23/64/798172364.db2.gz MVUXGZNAOQMJHX-UHFFFAOYSA-N -1 1 333.413 2.128 20 0 EEADMM CCOC(=O)c1nc(C)oc1[N-]c1cnc(N)nc1C(F)(F)F ZINC001175675134 798195093 /nfs/dbraw/zinc/19/50/93/798195093.db2.gz YIERAYHJTYRXNT-UHFFFAOYSA-N -1 1 331.254 2.294 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC)c(CO)c2)c1 ZINC001175985830 798304753 /nfs/dbraw/zinc/30/47/53/798304753.db2.gz AKRGNNPDJDPXRH-UHFFFAOYSA-N -1 1 337.397 2.430 20 0 EEADMM Cc1nc(Nc2c(F)cc(F)c([O-])c2F)cc(N2CCOCC2)n1 ZINC001176664609 798518616 /nfs/dbraw/zinc/51/86/16/798518616.db2.gz RYHLAGSLASQJAX-UHFFFAOYSA-N -1 1 340.305 2.488 20 0 EEADMM CCOC(=O)c1cnoc1[N-]c1ccc(S(C)(=O)=O)c(F)c1 ZINC001176740038 798544416 /nfs/dbraw/zinc/54/44/16/798544416.db2.gz ZHWYFEAKXBIRNU-UHFFFAOYSA-N -1 1 328.321 2.138 20 0 EEADMM O=S(=O)([N-][C@H]1c2ccccc2CC[C@H]1O)c1cc(F)ccc1F ZINC000922039754 798740136 /nfs/dbraw/zinc/74/01/36/798740136.db2.gz UJQOZDALRIQYID-ZBFHGGJFSA-N -1 1 339.363 2.292 20 0 EEADMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000786099606 806684331 /nfs/dbraw/zinc/68/43/31/806684331.db2.gz MQBXIJKHRKECMJ-UHFFFAOYSA-N -1 1 347.392 2.347 20 0 EEADMM CN(C)c1nc(NC(=O)C(C)(C)c2ncccc2F)c(N=O)c(=O)[n-]1 ZINC001178084701 799287811 /nfs/dbraw/zinc/28/78/11/799287811.db2.gz BFTIHCOMKXWJSM-UHFFFAOYSA-N -1 1 348.338 2.097 20 0 EEADMM CC/C(C)=C\C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079367 799975886 /nfs/dbraw/zinc/97/58/86/799975886.db2.gz XWORJEXLYJDRDK-WUFNSSIPSA-N -1 1 331.416 2.254 20 0 EEADMM O=C(COc1ccc(CO)cc1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001179657431 800024078 /nfs/dbraw/zinc/02/40/78/800024078.db2.gz GIBAGKITVOHLGG-UHFFFAOYSA-N -1 1 339.351 2.088 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1OC ZINC000824288087 800259340 /nfs/dbraw/zinc/25/93/40/800259340.db2.gz NQFANGBVZLBIGT-ZMSDIMECSA-N -1 1 331.368 2.173 20 0 EEADMM Cc1[nH]nc2cc(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])cc(F)c12 ZINC001180176329 800285875 /nfs/dbraw/zinc/28/58/75/800285875.db2.gz WMNOPOJTGZHOJA-UHFFFAOYSA-N -1 1 337.204 2.304 20 0 EEADMM O=C(C[C@H]1OC(=O)c2ccccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC001180180543 800288449 /nfs/dbraw/zinc/28/84/49/800288449.db2.gz PTHVJOUPJBOVAT-MRVPVSSYSA-N -1 1 326.234 2.064 20 0 EEADMM CC(C)OCCNC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181010916 800635109 /nfs/dbraw/zinc/63/51/09/800635109.db2.gz IXEMZTDCSMITGS-ZDUSSCGKSA-N -1 1 346.349 2.338 20 0 EEADMM CN(C(=O)CC1CCC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001004052820 800886872 /nfs/dbraw/zinc/88/68/72/800886872.db2.gz IFOJDRAKHHFYHE-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1ccc(NCCCC[C@@H](C)NC(=O)c2ncccc2[O-])nn1 ZINC001090079121 801219808 /nfs/dbraw/zinc/21/98/08/801219808.db2.gz CNHMGNPZLDDCCH-GFCCVEGCSA-N -1 1 329.404 2.286 20 0 EEADMM C[C@@](CO)([N-]C(=O)C(F)(F)OCC(F)(F)F)c1ccccc1 ZINC001183197465 801509023 /nfs/dbraw/zinc/50/90/23/801509023.db2.gz KICXQYVRTFDELJ-NSHDSACASA-N -1 1 327.249 2.182 20 0 EEADMM O=C([N-]Cc1cncn1C1CCC1)C(F)(F)OCC(F)(F)F ZINC001183198197 801509812 /nfs/dbraw/zinc/50/98/12/801509812.db2.gz XPXXVZHKNUPUBL-UHFFFAOYSA-N -1 1 327.253 2.396 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cnc(F)c(F)c2)cc1C(=O)[O-] ZINC001184669759 802104695 /nfs/dbraw/zinc/10/46/95/802104695.db2.gz HSRBFVFETJKVME-UHFFFAOYSA-N -1 1 328.296 2.167 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)Nc1ccc(F)c(F)c1F ZINC001185294025 802447148 /nfs/dbraw/zinc/44/71/48/802447148.db2.gz IVGNYSUEQVJQSC-UHFFFAOYSA-N -1 1 329.194 2.347 20 0 EEADMM CC(C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C)=C1CCC1 ZINC001004827366 802995887 /nfs/dbraw/zinc/99/58/87/802995887.db2.gz OHZLGTBAQKEDTO-IUODEOHRSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1sccc1C(=O)N1CCCC[C@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004854024 803084347 /nfs/dbraw/zinc/08/43/47/803084347.db2.gz NSYDUNZXPHSGKW-GWCFXTLKSA-N -1 1 349.460 2.053 20 0 EEADMM CCCCCNC(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955807 807313857 /nfs/dbraw/zinc/31/38/57/807313857.db2.gz OHEFUEFFGXHJMD-UHFFFAOYSA-N -1 1 349.362 2.180 20 0 EEADMM Cc1cc(N[C@@H](C)[C@H](C)NC(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001112982712 807785699 /nfs/dbraw/zinc/78/56/99/807785699.db2.gz AVKPPOZAWGJWRU-RYUDHWBXSA-N -1 1 341.415 2.382 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCCc2c(O)cccc21 ZINC000789901422 808273084 /nfs/dbraw/zinc/27/30/84/808273084.db2.gz MDGWDMSGDYXVQS-NVXWUHKLSA-N -1 1 349.394 2.231 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ccc3nc(C(F)(F)F)cn3c2)[n-]1 ZINC001170232241 809832203 /nfs/dbraw/zinc/83/22/03/809832203.db2.gz GKWYMOYYVXQASF-UHFFFAOYSA-N -1 1 335.249 2.469 20 0 EEADMM CC(C)c1nsc(NC2(CNC(=O)c3ncccc3[O-])CC2)n1 ZINC001110098204 809886701 /nfs/dbraw/zinc/88/67/01/809886701.db2.gz YMOULIHNLKYPMS-UHFFFAOYSA-N -1 1 333.417 2.137 20 0 EEADMM CCCC[C@@H](CNc1ncc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001114241156 810663561 /nfs/dbraw/zinc/66/35/61/810663561.db2.gz NHTSPIDHJAKBOQ-LBPRGKRZSA-N -1 1 333.367 2.117 20 0 EEADMM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2ncccc2[O-])CC1 ZINC000794179787 810701302 /nfs/dbraw/zinc/70/13/02/810701302.db2.gz XMRPPORKMJGZGV-UHFFFAOYSA-N -1 1 347.415 2.474 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)COCc2cccnc2)c1 ZINC000805645027 811422607 /nfs/dbraw/zinc/42/26/07/811422607.db2.gz UTWFJTXFFMGKGB-UHFFFAOYSA-N -1 1 329.352 2.292 20 0 EEADMM O=S(=O)([N-][C@@H]1COc2ccccc2[C@@H]1O)c1cc2ccccc2o1 ZINC000808352318 812613800 /nfs/dbraw/zinc/61/38/00/812613800.db2.gz FZAFBFABPFHKQH-DYVFJYSZSA-N -1 1 345.376 2.206 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902855092 939288276 /nfs/dbraw/zinc/28/82/76/939288276.db2.gz TWMNOWSRANTXQA-TURNYIBQSA-N -1 1 331.347 2.157 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC(O)(C(F)(F)F)CC2)c1 ZINC000323456734 971007401 /nfs/dbraw/zinc/00/74/01/971007401.db2.gz BSBQQZLTTRZYBY-UHFFFAOYSA-N -1 1 333.306 2.153 20 0 EEADMM CC(C)(C)N1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000324554965 971132652 /nfs/dbraw/zinc/13/26/52/971132652.db2.gz WTNYZWGCJKYOLG-UHFFFAOYSA-N -1 1 335.404 2.098 20 0 EEADMM C=Cc1ccccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573358673 947668366 /nfs/dbraw/zinc/66/83/66/947668366.db2.gz HDOHRVQIZQBCCV-UHFFFAOYSA-N -1 1 327.373 2.288 20 0 EEADMM C=Cc1ccccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573358673 947668370 /nfs/dbraw/zinc/66/83/70/947668370.db2.gz HDOHRVQIZQBCCV-UHFFFAOYSA-N -1 1 327.373 2.288 20 0 EEADMM CSCc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826229028 947671343 /nfs/dbraw/zinc/67/13/43/947671343.db2.gz LZIRSOIAKPICLM-UHFFFAOYSA-N -1 1 344.400 2.207 20 0 EEADMM CSCc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826229028 947671350 /nfs/dbraw/zinc/67/13/50/947671350.db2.gz LZIRSOIAKPICLM-UHFFFAOYSA-N -1 1 344.400 2.207 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C)cc2Cl)c1-c1nnn[n-]1 ZINC000826291177 947847111 /nfs/dbraw/zinc/84/71/11/947847111.db2.gz SZIAOQKGRZLJLS-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C)cc2Cl)c1-c1nn[n-]n1 ZINC000826291177 947847115 /nfs/dbraw/zinc/84/71/15/947847115.db2.gz SZIAOQKGRZLJLS-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)N(C)CCC2CCCCC2)c1-c1nnn[n-]1 ZINC000826342962 947986118 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CC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736402919 578201343 /nfs/dbraw/zinc/20/13/43/578201343.db2.gz QGFLGJPPUGEQRU-SECBINFHSA-N -1 1 341.824 2.083 20 0 EEADMM C[C@H]1CCCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736796737 578224090 /nfs/dbraw/zinc/22/40/90/578224090.db2.gz ZBIUJRJJODLQJT-SUMWQHHRSA-N -1 1 343.427 2.012 20 0 EEADMM CO[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736958892 578231236 /nfs/dbraw/zinc/23/12/36/578231236.db2.gz YFCPMPWMUZWSKT-JTQLQIEISA-N -1 1 343.412 2.246 20 0 EEADMM CCC[C@](C)(NCC(=O)N(C)[C@@H](C)c1ccccc1OC)C(=O)[O-] ZINC000736962281 578231376 /nfs/dbraw/zinc/23/13/76/578231376.db2.gz ZPRTZQTYSHEJAR-UGSOOPFHSA-N -1 1 336.432 2.448 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C(C)C)C(C)C ZINC000737201753 578243539 /nfs/dbraw/zinc/24/35/39/578243539.db2.gz VKUJJROJWAZZPQ-UHFFFAOYSA-N -1 1 346.435 2.162 20 0 EEADMM Cc1cc(F)cc2c1N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737264557 578246884 /nfs/dbraw/zinc/24/68/84/578246884.db2.gz SQARZEYTOQYZHA-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)cc2c1N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737264557 578246885 /nfs/dbraw/zinc/24/68/85/578246885.db2.gz SQARZEYTOQYZHA-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM CCn1cc(CN2CCCN(Cc3cc(C(=O)[O-])oc3C)CC2)cn1 ZINC000737301505 578249084 /nfs/dbraw/zinc/24/90/84/578249084.db2.gz UBSVMYOCTYIUMY-UHFFFAOYSA-N -1 1 346.431 2.211 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000737417655 578256338 /nfs/dbraw/zinc/25/63/38/578256338.db2.gz JVKBYLKMMJSENR-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000737417655 578256339 /nfs/dbraw/zinc/25/63/39/578256339.db2.gz JVKBYLKMMJSENR-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737426078 578256923 /nfs/dbraw/zinc/25/69/23/578256923.db2.gz JBOYVPZFLVFSLK-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737426078 578256924 /nfs/dbraw/zinc/25/69/24/578256924.db2.gz JBOYVPZFLVFSLK-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CNC(C)(C)C(=O)[O-] ZINC000737451097 578258429 /nfs/dbraw/zinc/25/84/29/578258429.db2.gz IKJIQOMCBVEOES-UHFFFAOYSA-N -1 1 333.215 2.405 20 0 EEADMM CN(Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1)C(=O)[O-] ZINC000737483691 578260217 /nfs/dbraw/zinc/26/02/17/578260217.db2.gz STGISYQNNGXXPI-UHFFFAOYSA-N -1 1 346.431 2.356 20 0 EEADMM Clc1nc2ccccn2c1CNCc1cccc(-c2nn[nH]n2)c1 ZINC000737582575 578265536 /nfs/dbraw/zinc/26/55/36/578265536.db2.gz DIUFYASLAZJLSV-UHFFFAOYSA-N -1 1 339.790 2.458 20 0 EEADMM Fc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1-n1ccnc1 ZINC000737644626 578268558 /nfs/dbraw/zinc/26/85/58/578268558.db2.gz JEKHIBMKNPJBHM-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737961096 578274631 /nfs/dbraw/zinc/27/46/31/578274631.db2.gz LQFYKRRMFCSLLT-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM COc1ccc([C@H](NCc2cccc3c2OCCO3)C(=O)[O-])cc1 ZINC000737970668 578274978 /nfs/dbraw/zinc/27/49/78/578274978.db2.gz NPUNHPDFAFLAEF-INIZCTEOSA-N -1 1 329.352 2.382 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738016132 578276555 /nfs/dbraw/zinc/27/65/55/578276555.db2.gz NYHVJYBMOJKBSK-UWVGGRQHSA-N -1 1 328.796 2.328 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820778999 599039547 /nfs/dbraw/zinc/03/95/47/599039547.db2.gz ZXXJSZUSGDIPKF-IAQYHMDHSA-N -1 1 340.362 2.367 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820778999 599039548 /nfs/dbraw/zinc/03/95/48/599039548.db2.gz ZXXJSZUSGDIPKF-IAQYHMDHSA-N -1 1 340.362 2.367 20 0 EEADMM N#Cc1ccc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000321285915 597068615 /nfs/dbraw/zinc/06/86/15/597068615.db2.gz XAZJKUYGSWYBMY-LLVKDONJSA-N -1 1 335.791 2.337 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823413110 607323827 /nfs/dbraw/zinc/32/38/27/607323827.db2.gz AMGPPEKVVJNHCG-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823413110 607323828 /nfs/dbraw/zinc/32/38/28/607323828.db2.gz AMGPPEKVVJNHCG-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000821452055 598176964 /nfs/dbraw/zinc/17/69/64/598176964.db2.gz ZCENLYBWYXBPIV-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000821452055 598176965 /nfs/dbraw/zinc/17/69/65/598176965.db2.gz ZCENLYBWYXBPIV-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM Cc1occc1CN(C)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000822552666 607365283 /nfs/dbraw/zinc/36/52/83/607365283.db2.gz DYVTWDDUKBMLMM-UHFFFAOYSA-N -1 1 344.375 2.048 20 0 EEADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547701 599309650 /nfs/dbraw/zinc/30/96/50/599309650.db2.gz NNUOJLHCRLBDBW-MDWZMJQESA-N -1 1 346.306 2.286 20 0 EEADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547701 599309652 /nfs/dbraw/zinc/30/96/52/599309652.db2.gz NNUOJLHCRLBDBW-MDWZMJQESA-N -1 1 346.306 2.286 20 0 EEADMM c1cnc(NCCCNc2cc(-c3nnn[n-]3)nc3ccccc32)nc1 ZINC000823810317 599487224 /nfs/dbraw/zinc/48/72/24/599487224.db2.gz VPGXDXBQTJUKLN-UHFFFAOYSA-N -1 1 347.386 2.119 20 0 EEADMM c1cnc(NCCCNc2cc(-c3nn[n-]n3)nc3ccccc32)nc1 ZINC000823810317 599487226 /nfs/dbraw/zinc/48/72/26/599487226.db2.gz VPGXDXBQTJUKLN-UHFFFAOYSA-N -1 1 347.386 2.119 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000823145035 607439852 /nfs/dbraw/zinc/43/98/52/607439852.db2.gz OOBBVUDSAFJUTI-NILFDRSVSA-N -1 1 337.408 2.386 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000823145035 607439854 /nfs/dbraw/zinc/43/98/54/607439854.db2.gz OOBBVUDSAFJUTI-NILFDRSVSA-N -1 1 337.408 2.386 20 0 EEADMM CN(C)C(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830569860 600735454 /nfs/dbraw/zinc/73/54/54/600735454.db2.gz UNWKMSVMOPCJJE-INIZCTEOSA-N -1 1 330.359 2.443 20 0 EEADMM COC(=O)COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831185554 600750570 /nfs/dbraw/zinc/75/05/70/600750570.db2.gz YFZNHKSEXWRTFZ-KRWDZBQOSA-N -1 1 347.342 2.293 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@@H](C)O ZINC000829142092 600812562 /nfs/dbraw/zinc/81/25/62/600812562.db2.gz RXPRHRROLDYVRL-UKRRQHHQSA-N -1 1 349.431 2.002 20 0 EEADMM NC(=O)CC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000833081734 600818423 /nfs/dbraw/zinc/81/84/23/600818423.db2.gz HWAWCOKJGDBHPH-UHFFFAOYSA-N -1 1 340.807 2.004 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000828899755 601100417 /nfs/dbraw/zinc/10/04/17/601100417.db2.gz AISMVEDZRXEIOS-DOTOQJQBSA-N -1 1 332.444 2.263 20 0 EEADMM Cc1cc2[nH]c(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2c(C)c1 ZINC000832875515 601105350 /nfs/dbraw/zinc/10/53/50/601105350.db2.gz UKGZSEAERQQTMN-CQSZACIVSA-N -1 1 343.427 2.406 20 0 EEADMM C[C@@H]1c2ccccc2CN1CCCN1C(=O)CS/C1=C\C(=O)[O-] ZINC000828528184 601117269 /nfs/dbraw/zinc/11/72/69/601117269.db2.gz RUXSMQDDQSRFLG-DZZSIBQASA-N -1 1 332.425 2.455 20 0 EEADMM CCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000830085408 601130629 /nfs/dbraw/zinc/13/06/29/601130629.db2.gz WGLICCRDGVAXJM-AWEZNQCLSA-N -1 1 349.431 2.406 20 0 EEADMM COC(=O)c1ccc(N2CCN(C/C=C(\C)C(=O)[O-])[C@@H](C)C2)cc1 ZINC000831391438 601161804 /nfs/dbraw/zinc/16/18/04/601161804.db2.gz ZGDIDQNJTBLANY-CZAWJFPGSA-N -1 1 332.400 2.015 20 0 EEADMM Cc1cccc(C)c1NC(=S)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832964592 601338396 /nfs/dbraw/zinc/33/83/96/601338396.db2.gz GPWXRSNEUWGNEU-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1nc2ccccc2n1C(F)F ZINC000831584089 601490592 /nfs/dbraw/zinc/49/05/92/601490592.db2.gz CMFPXBMOLJHYPU-HNNXBMFYSA-N -1 1 327.331 2.401 20 0 EEADMM C[C@@H]1CN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C[C@H]1C(=O)[O-] ZINC000828465410 601512999 /nfs/dbraw/zinc/51/29/99/601512999.db2.gz XTRIYHYHVLOJQH-MWLCHTKSSA-N -1 1 346.456 2.305 20 0 EEADMM Cn1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000833053127 601785289 /nfs/dbraw/zinc/78/52/89/601785289.db2.gz QYVABZQNXJSFIA-UHFFFAOYSA-N -1 1 332.740 2.317 20 0 EEADMM C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827967054 601937513 /nfs/dbraw/zinc/93/75/13/601937513.db2.gz YTLQBTLKPHGFLL-APPDUMDISA-N -1 1 342.403 2.055 20 0 EEADMM CCCNc1nnc(SCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000825331878 607536859 /nfs/dbraw/zinc/53/68/59/607536859.db2.gz BLDCIZHKSCJYOI-UHFFFAOYSA-N -1 1 334.434 2.227 20 0 EEADMM CCCNc1nnc(SCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000825331878 607536861 /nfs/dbraw/zinc/53/68/61/607536861.db2.gz BLDCIZHKSCJYOI-UHFFFAOYSA-N -1 1 334.434 2.227 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])cc1 ZINC000832923477 602030365 /nfs/dbraw/zinc/03/03/65/602030365.db2.gz ZLLANVBWGAWVTE-UONOGXRCSA-N -1 1 327.384 2.123 20 0 EEADMM COc1cccc([C@@H](CNC(=O)[C@H](C)CC(=O)[O-])N2CCCC2)c1 ZINC000832533128 602075207 /nfs/dbraw/zinc/07/52/07/602075207.db2.gz IMNRZJIQRUJOIJ-CZUORRHYSA-N -1 1 334.416 2.059 20 0 EEADMM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824243459 607572994 /nfs/dbraw/zinc/57/29/94/607572994.db2.gz GRZDWTOTCSFBFZ-SNVBAGLBSA-N -1 1 341.412 2.109 20 0 EEADMM CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824192965 607583225 /nfs/dbraw/zinc/58/32/25/607583225.db2.gz PMTYMWMPJXOISR-VIFPVBQESA-N -1 1 343.840 2.185 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000832846090 604267048 /nfs/dbraw/zinc/26/70/48/604267048.db2.gz APADKVWAMZLNIH-LLVKDONJSA-N -1 1 335.429 2.424 20 0 EEADMM COCCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831696706 604360745 /nfs/dbraw/zinc/36/07/45/604360745.db2.gz IPWCLHRJJJJCCE-HNNXBMFYSA-N -1 1 326.824 2.120 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])N2CCCC2)o1 ZINC000832924742 604506849 /nfs/dbraw/zinc/50/68/49/604506849.db2.gz YOUGAGCDJOKQLH-HUUCEWRRSA-N -1 1 349.431 2.374 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)NCCc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000833512792 604605721 /nfs/dbraw/zinc/60/57/21/604605721.db2.gz VAIAAWUNNGMXHX-LLVKDONJSA-N -1 1 345.403 2.229 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC000832884341 604690330 /nfs/dbraw/zinc/69/03/30/604690330.db2.gz YBXLXRXQMSVGAT-SECBINFHSA-N -1 1 334.376 2.090 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000833770397 604766515 /nfs/dbraw/zinc/76/65/15/604766515.db2.gz FMUUHLQDANZQPT-ZIAGYGMSSA-N -1 1 348.226 2.184 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000833636111 604912779 /nfs/dbraw/zinc/91/27/79/604912779.db2.gz HZQBBJGKYLYONM-UHFFFAOYSA-N -1 1 334.353 2.173 20 0 EEADMM O=C([O-])[C@@H](NCc1ccccc1CN1CCCC1=O)c1cccnc1 ZINC000833169783 604991845 /nfs/dbraw/zinc/99/18/45/604991845.db2.gz KMLJIYAUZOUDRT-SFHVURJKSA-N -1 1 339.395 2.120 20 0 EEADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(O[C@H]2CCOC2)c1 ZINC000832934594 605007690 /nfs/dbraw/zinc/00/76/90/605007690.db2.gz UCYWCDLNTJQKOE-FUHWJXTLSA-N -1 1 342.395 2.473 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1 ZINC000833626965 605103211 /nfs/dbraw/zinc/10/32/11/605103211.db2.gz TYHHJTPTZPJSOK-CQSZACIVSA-N -1 1 326.396 2.461 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)[nH]1 ZINC000833766523 605105475 /nfs/dbraw/zinc/10/54/75/605105475.db2.gz UJSYLELVKPFBBB-UHFFFAOYSA-N -1 1 348.447 2.309 20 0 EEADMM CC[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(OC)cc1 ZINC000833636008 605112359 /nfs/dbraw/zinc/11/23/59/605112359.db2.gz DLGFZHZXJHAJRQ-PBHICJAKSA-N -1 1 348.443 2.196 20 0 EEADMM CC(=O)N1CCN(C[C@H]2CC(C(=O)[O-])=C(C)O2)CC12CCCCC2 ZINC000833391274 605375727 /nfs/dbraw/zinc/37/57/27/605375727.db2.gz QBUQUHXVHQSMJO-OAHLLOKOSA-N -1 1 336.432 2.001 20 0 EEADMM CCN(CC)C(=O)CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821175718 606123879 /nfs/dbraw/zinc/12/38/79/606123879.db2.gz UGNMQYVKYLPDMP-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM CCN(CC)C(=O)CCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821175718 606123881 /nfs/dbraw/zinc/12/38/81/606123881.db2.gz UGNMQYVKYLPDMP-UHFFFAOYSA-N -1 1 343.844 2.037 20 0 EEADMM O=C(OCc1noc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823445121 606138786 /nfs/dbraw/zinc/13/87/86/606138786.db2.gz SJDZVEBZMHHAAY-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1noc2c1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823445121 606138788 /nfs/dbraw/zinc/13/87/88/606138788.db2.gz SJDZVEBZMHHAAY-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C1CCC1 ZINC000822009679 606156703 /nfs/dbraw/zinc/15/67/03/606156703.db2.gz AZTBJMIOYSADTF-LLVKDONJSA-N -1 1 345.403 2.249 20 0 EEADMM CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820583271 606179951 /nfs/dbraw/zinc/17/99/51/606179951.db2.gz BUVFREDVWRHWOO-AXTRIDKLSA-N -1 1 334.401 2.289 20 0 EEADMM CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820583271 606179952 /nfs/dbraw/zinc/17/99/52/606179952.db2.gz BUVFREDVWRHWOO-AXTRIDKLSA-N -1 1 334.401 2.289 20 0 EEADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821109256 606393417 /nfs/dbraw/zinc/39/34/17/606393417.db2.gz DVEDRFVCSDVRMR-CQSZACIVSA-N -1 1 346.460 2.472 20 0 EEADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821611022 606501814 /nfs/dbraw/zinc/50/18/14/606501814.db2.gz NWIGKWQZAXQRDG-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821611022 606501815 /nfs/dbraw/zinc/50/18/15/606501815.db2.gz NWIGKWQZAXQRDG-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM COc1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821857968 606503234 /nfs/dbraw/zinc/50/32/34/606503234.db2.gz BYGRIWHMGHLXBK-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM COc1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821857968 606503236 /nfs/dbraw/zinc/50/32/36/606503236.db2.gz BYGRIWHMGHLXBK-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM O=C(CCSc1ccccc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822974631 606517610 /nfs/dbraw/zinc/51/76/10/606517610.db2.gz VMPKNNGTBQBADA-UHFFFAOYSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(CCSc1ccccc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822974631 606517611 /nfs/dbraw/zinc/51/76/11/606517611.db2.gz VMPKNNGTBQBADA-UHFFFAOYSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(Nc1ccccc1-n1ccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823366933 606525364 /nfs/dbraw/zinc/52/53/64/606525364.db2.gz ANVLAHXIDJAQMO-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM Cc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC000822340906 606552522 /nfs/dbraw/zinc/55/25/22/606552522.db2.gz MRQJIAMUYZXWTB-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC000822340906 606552524 /nfs/dbraw/zinc/55/25/24/606552524.db2.gz MRQJIAMUYZXWTB-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC000819891868 606646944 /nfs/dbraw/zinc/64/69/44/606646944.db2.gz JGCXQSNOQDLAJM-UHFFFAOYSA-N -1 1 329.385 2.344 20 0 EEADMM CC(C)(C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC000819891868 606646945 /nfs/dbraw/zinc/64/69/45/606646945.db2.gz JGCXQSNOQDLAJM-UHFFFAOYSA-N -1 1 329.385 2.344 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2)no1 ZINC000823436464 606650848 /nfs/dbraw/zinc/65/08/48/606650848.db2.gz WRHFRAQBMOQZBD-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)no1 ZINC000823436464 606650849 /nfs/dbraw/zinc/65/08/49/606650849.db2.gz WRHFRAQBMOQZBD-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000822241275 606763955 /nfs/dbraw/zinc/76/39/55/606763955.db2.gz QEWOVIQWPOYQBD-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826523188 607822260 /nfs/dbraw/zinc/82/22/60/607822260.db2.gz DIOLLRXXLFOPBE-JLZZUVOBSA-N -1 1 348.410 2.206 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826523188 607822261 /nfs/dbraw/zinc/82/22/61/607822261.db2.gz DIOLLRXXLFOPBE-JLZZUVOBSA-N -1 1 348.410 2.206 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826338211 607836136 /nfs/dbraw/zinc/83/61/36/607836136.db2.gz NZGLZXNSMIWMCQ-MRVPVSSYSA-N -1 1 342.359 2.309 20 0 EEADMM Cc1ccccc1CS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826307433 607867656 /nfs/dbraw/zinc/86/76/56/607867656.db2.gz IAQBRKLRJURLGN-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM Cc1ccccc1CS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826307433 607867657 /nfs/dbraw/zinc/86/76/57/607867657.db2.gz IAQBRKLRJURLGN-UHFFFAOYSA-N -1 1 348.359 2.223 20 0 EEADMM O=S(=O)(C=Cc1ccccc1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826483802 607868068 /nfs/dbraw/zinc/86/80/68/607868068.db2.gz AHYOMTMXQCXMES-MDZDMXLPSA-N -1 1 346.343 2.385 20 0 EEADMM O=S(=O)(C=Cc1ccccc1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826483802 607868069 /nfs/dbraw/zinc/86/80/69/607868069.db2.gz AHYOMTMXQCXMES-MDZDMXLPSA-N -1 1 346.343 2.385 20 0 EEADMM CC(C)CSCCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824275471 607914877 /nfs/dbraw/zinc/91/48/77/607914877.db2.gz TXYCDMOEMAULLN-UHFFFAOYSA-N -1 1 325.463 2.437 20 0 EEADMM CC(C)CSCCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824275471 607914878 /nfs/dbraw/zinc/91/48/78/607914878.db2.gz TXYCDMOEMAULLN-UHFFFAOYSA-N -1 1 325.463 2.437 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)no1 ZINC000824341990 608157085 /nfs/dbraw/zinc/15/70/85/608157085.db2.gz HFLYBOIANVHHNG-UHFFFAOYSA-N -1 1 344.379 2.182 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)no1 ZINC000824341990 608157087 /nfs/dbraw/zinc/15/70/87/608157087.db2.gz HFLYBOIANVHHNG-UHFFFAOYSA-N -1 1 344.379 2.182 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825485608 608187541 /nfs/dbraw/zinc/18/75/41/608187541.db2.gz HPMQOYIZGOFTNZ-YFKPBYRVSA-N -1 1 333.826 2.410 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825485608 608187542 /nfs/dbraw/zinc/18/75/42/608187542.db2.gz HPMQOYIZGOFTNZ-YFKPBYRVSA-N -1 1 333.826 2.410 20 0 EEADMM C[C@@H](COCc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824440677 608332857 /nfs/dbraw/zinc/33/28/57/608332857.db2.gz IETKTSOSLMUYLL-LBPRGKRZSA-N -1 1 339.355 2.024 20 0 EEADMM C[C@@H](COCc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824440677 608332859 /nfs/dbraw/zinc/33/28/59/608332859.db2.gz IETKTSOSLMUYLL-LBPRGKRZSA-N -1 1 339.355 2.024 20 0 EEADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)n1cncn1 ZINC000824045651 608348971 /nfs/dbraw/zinc/34/89/71/608348971.db2.gz OATZOTLEKMVUEC-QMMMGPOBSA-N -1 1 346.420 2.017 20 0 EEADMM C[C@@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)n1cncn1 ZINC000824045651 608348972 /nfs/dbraw/zinc/34/89/72/608348972.db2.gz OATZOTLEKMVUEC-QMMMGPOBSA-N -1 1 346.420 2.017 20 0 EEADMM COc1ccc2cc(CN(C)c3ccc(-c4nnn[n-]4)nn3)ccc2c1 ZINC000826213147 608391773 /nfs/dbraw/zinc/39/17/73/608391773.db2.gz MIUWLLDTVLESBN-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc2cc(CN(C)c3ccc(-c4nn[n-]n4)nn3)ccc2c1 ZINC000826213147 608391775 /nfs/dbraw/zinc/39/17/75/608391775.db2.gz MIUWLLDTVLESBN-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM Cc1ccc(Oc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)nn1 ZINC000826292858 608423245 /nfs/dbraw/zinc/42/32/45/608423245.db2.gz OXBMGHDDLCNLNV-UHFFFAOYSA-N -1 1 347.342 2.291 20 0 EEADMM Cc1ccc(Oc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)nn1 ZINC000826292858 608423248 /nfs/dbraw/zinc/42/32/48/608423248.db2.gz OXBMGHDDLCNLNV-UHFFFAOYSA-N -1 1 347.342 2.291 20 0 EEADMM Clc1cc(Cl)cc(OCCn2ccnc2-c2nnn[n-]2)c1 ZINC000826350599 608894918 /nfs/dbraw/zinc/89/49/18/608894918.db2.gz CZZIGIYCAODOEU-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Clc1cc(Cl)cc(OCCn2ccnc2-c2nn[n-]n2)c1 ZINC000826350599 608894919 /nfs/dbraw/zinc/89/49/19/608894919.db2.gz CZZIGIYCAODOEU-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM CC/C=C(\C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825218060 609289040 /nfs/dbraw/zinc/28/90/40/609289040.db2.gz BIYZJABZJSXXIK-BJMVGYQFSA-N -1 1 341.350 2.486 20 0 EEADMM COc1cccc([C@H]2C[C@H](C)CN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826215596 609593226 /nfs/dbraw/zinc/59/32/26/609593226.db2.gz UGOCRMCFVNYUIH-XHDPSFHLSA-N -1 1 337.387 2.253 20 0 EEADMM COc1cccc([C@H]2C[C@H](C)CN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826215596 609593228 /nfs/dbraw/zinc/59/32/28/609593228.db2.gz UGOCRMCFVNYUIH-XHDPSFHLSA-N -1 1 337.387 2.253 20 0 EEADMM O=C(COC1CCCC1)NNC(=O)c1cc2ccccc2cc1[O-] ZINC000050170379 676254049 /nfs/dbraw/zinc/25/40/49/676254049.db2.gz XOARENWKUVLFGT-UHFFFAOYSA-N -1 1 328.368 2.266 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)n2)o1 ZINC000160649962 676382464 /nfs/dbraw/zinc/38/24/64/676382464.db2.gz CLNYIOWMUBUBJB-UHFFFAOYSA-N -1 1 341.364 2.143 20 0 EEADMM COCc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(=O)[n-]1 ZINC000891511254 676680613 /nfs/dbraw/zinc/68/06/13/676680613.db2.gz QVGBFCVDPSONLW-CYBMUJFWSA-N -1 1 343.383 2.441 20 0 EEADMM CCn1nc(C)c(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1C ZINC000891614617 676721080 /nfs/dbraw/zinc/72/10/80/676721080.db2.gz NROJMCRSHIZFCW-UHFFFAOYSA-N -1 1 329.404 2.075 20 0 EEADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614781 676721090 /nfs/dbraw/zinc/72/10/90/676721090.db2.gz NKORRPADYZQZHS-ISVAXAHUSA-N -1 1 326.194 2.173 20 0 EEADMM O=C(CNc1ccccc1)N[N-]C(=O)c1cc(Cl)ncc1Cl ZINC000161239949 678322271 /nfs/dbraw/zinc/32/22/71/678322271.db2.gz GQRIHXRSVPLYNK-UHFFFAOYSA-N -1 1 339.182 2.262 20 0 EEADMM Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)nn1C(C)(C)C ZINC000051632226 678333094 /nfs/dbraw/zinc/33/30/94/678333094.db2.gz BBFGLJHPWQHBNU-UHFFFAOYSA-N -1 1 343.383 2.060 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3ccccc3F)[C@@H](C)C2)c1[O-] ZINC000947205681 679860012 /nfs/dbraw/zinc/86/00/12/679860012.db2.gz UZIULPZOJCWBEE-FZMZJTMJSA-N -1 1 346.406 2.346 20 0 EEADMM CC(C)COC[C@@H](O)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896818984 685290202 /nfs/dbraw/zinc/29/02/02/685290202.db2.gz PRDBGDVKKLXUBJ-AWEZNQCLSA-N -1 1 333.384 2.014 20 0 EEADMM O=C(CC1CCCC1)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059073285 681602360 /nfs/dbraw/zinc/60/23/60/681602360.db2.gz SUCLZSARMYINNL-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC2)C1 ZINC000973674422 682891779 /nfs/dbraw/zinc/89/17/79/682891779.db2.gz LYRGGTRBHNDOIT-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000834395948 683826365 /nfs/dbraw/zinc/82/63/65/683826365.db2.gz JKIXSKJWJSOTTP-RWMBFGLXSA-N -1 1 333.432 2.476 20 0 EEADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000318602467 684348962 /nfs/dbraw/zinc/34/89/62/684348962.db2.gz HMKFHEFVDQFFJZ-UHFFFAOYSA-N -1 1 328.296 2.167 20 0 EEADMM COCc1nc(NCc2nc3cc(Cl)ccc3n2C)cc(=O)[n-]1 ZINC000893266111 684406183 /nfs/dbraw/zinc/40/61/83/684406183.db2.gz NRGISEKSNMAMPR-UHFFFAOYSA-N -1 1 333.779 2.481 20 0 EEADMM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000978740461 693863465 /nfs/dbraw/zinc/86/34/65/693863465.db2.gz DYWRILYLTNURDL-NFAWXSAZSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)CC2CCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984468123 684575784 /nfs/dbraw/zinc/57/57/84/684575784.db2.gz FUENFNYRXPPMAS-LSDHHAIUSA-N -1 1 345.443 2.477 20 0 EEADMM CC1(C)CN(CC(F)(F)C(F)F)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000974489444 684976623 /nfs/dbraw/zinc/97/66/23/684976623.db2.gz LHEFUHIEIUBQIA-JTQLQIEISA-N -1 1 349.328 2.128 20 0 EEADMM Cc1cc(CN2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)sn1 ZINC000974487868 684980931 /nfs/dbraw/zinc/98/09/31/684980931.db2.gz IAZLQJAQDVSFFS-CQSZACIVSA-N -1 1 346.456 2.193 20 0 EEADMM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896976690 686019989 /nfs/dbraw/zinc/01/99/89/686019989.db2.gz IGSIPTICJSNZGG-SFHVURJKSA-N -1 1 329.352 2.276 20 0 EEADMM COC(=O)[C@@H](CC1CCOCC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000893544299 693994385 /nfs/dbraw/zinc/99/43/85/693994385.db2.gz AGSVFFPCEOVFBF-CYBMUJFWSA-N -1 1 341.791 2.134 20 0 EEADMM CC(C)[C@@H](C)CC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515064 686276626 /nfs/dbraw/zinc/27/66/26/686276626.db2.gz QQKDIEWLBIWWLP-GJZGRUSLSA-N -1 1 347.459 2.438 20 0 EEADMM CN(CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCC1 ZINC000909367229 688183652 /nfs/dbraw/zinc/18/36/52/688183652.db2.gz IVDQGQSTWXPYML-UHFFFAOYSA-N -1 1 326.780 2.226 20 0 EEADMM O=C(CC1CCC1)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987005042 689212924 /nfs/dbraw/zinc/21/29/24/689212924.db2.gz XGGOAKOHKLTAID-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)c1cccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)c1 ZINC000987316715 689598314 /nfs/dbraw/zinc/59/83/14/689598314.db2.gz JOLGTWRGTVIJPQ-IUODEOHRSA-N -1 1 343.431 2.027 20 0 EEADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CC1CCC(C)(C)CC1 ZINC000987631560 689888109 /nfs/dbraw/zinc/88/81/09/689888109.db2.gz JNFAMUAJVLBQKJ-JSGCOSHPSA-N -1 1 349.479 2.196 20 0 EEADMM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C)C1CCCC1 ZINC000987684142 689928450 /nfs/dbraw/zinc/92/84/50/689928450.db2.gz LMYIEWFHNSIIKG-GUTXKFCHSA-N -1 1 345.443 2.333 20 0 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EEADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@H](c2ccco2)C1 ZINC001609168334 1351874785 /nfs/dbraw/zinc/87/47/85/1351874785.db2.gz YCFIJNPZXQYLPJ-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@H](c2ccco2)C1 ZINC001609168334 1351874787 /nfs/dbraw/zinc/87/47/87/1351874787.db2.gz YCFIJNPZXQYLPJ-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(=O)c1ccccc1 ZINC001609195289 1351885762 /nfs/dbraw/zinc/88/57/62/1351885762.db2.gz GJYUHXANDSZIEH-AWEZNQCLSA-N -1 1 337.339 2.080 20 0 EEADMM CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(=O)c1ccccc1 ZINC001609195289 1351885765 /nfs/dbraw/zinc/88/57/65/1351885765.db2.gz GJYUHXANDSZIEH-AWEZNQCLSA-N -1 1 337.339 2.080 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204768 1351890816 /nfs/dbraw/zinc/89/08/16/1351890816.db2.gz OKEWOKRQVGURDD-QWRGUYRKSA-N -1 1 339.421 2.049 20 0 EEADMM CCOc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609246610 1351907521 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Cc1cc(N[C@@H]2CCCOc3cc(F)ccc32)cc(-c2nnn[n-]2)n1 ZINC001609408687 1351965132 /nfs/dbraw/zinc/96/51/32/1351965132.db2.gz HTQZWZXGXZQEFE-CQSZACIVSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cc(N[C@@H]2CCCOc3cc(F)ccc32)cc(-c2nn[n-]n2)n1 ZINC001609408687 1351965134 /nfs/dbraw/zinc/96/51/34/1351965134.db2.gz HTQZWZXGXZQEFE-CQSZACIVSA-N -1 1 340.362 2.457 20 0 EEADMM Cc1cccc(N2CCN(c3cc(C)nc(-c4nnn[n-]4)c3)CC2)c1 ZINC001609431855 1351974689 /nfs/dbraw/zinc/97/46/89/1351974689.db2.gz MIQIQROYVVXDGG-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cccc(N2CCN(c3cc(C)nc(-c4nn[n-]n4)c3)CC2)c1 ZINC001609431855 1351974691 /nfs/dbraw/zinc/97/46/91/1351974691.db2.gz MIQIQROYVVXDGG-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1conc1[N-]C(=O)c1cc(-c2cccc(-c3nn[nH]n3)c2)no1 ZINC001609442172 1351979242 /nfs/dbraw/zinc/97/92/42/1351979242.db2.gz UQVRRUAVBJGMNK-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1csc(C2(NC(=O)c3ccc(-c4nnn[n-]4)o3)CCC2)n1 ZINC001609442369 1351979551 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F[C@]1(c2ccccc2)CCN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001609486289 1351994537 /nfs/dbraw/zinc/99/45/37/1351994537.db2.gz LKMSQICLNXCZRM-OAHLLOKOSA-N -1 1 330.392 2.394 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001609555235 1352015062 /nfs/dbraw/zinc/01/50/62/1352015062.db2.gz HTAIQKBOAZODCQ-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccc(C2CC2)cc1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001609555235 1352015063 /nfs/dbraw/zinc/01/50/63/1352015063.db2.gz HTAIQKBOAZODCQ-UHFFFAOYSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609582989 1352026410 /nfs/dbraw/zinc/02/64/10/1352026410.db2.gz LVDFQMUNQNOECW-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609582989 1352026414 /nfs/dbraw/zinc/02/64/14/1352026414.db2.gz LVDFQMUNQNOECW-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001609745149 1352074755 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CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCCO[C@H](C)C1 ZINC001340287913 1337151759 /nfs/dbraw/zinc/15/17/59/1337151759.db2.gz LAZRLVLCJPOURP-SNVBAGLBSA-N -1 1 337.811 2.334 20 0 EEADMM CC[C@H](Oc1ccccc1C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001609940641 1352124804 /nfs/dbraw/zinc/12/48/04/1352124804.db2.gz MODPTBJHNCJLBE-HOTGVXAUSA-N -1 1 348.443 2.160 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCc1nc(C(C)(C)C)no1 ZINC001344390659 1337392321 /nfs/dbraw/zinc/39/23/21/1337392321.db2.gz CTZZMDAYNBDXMA-UHFFFAOYSA-N -1 1 341.408 2.079 20 0 EEADMM CCCN(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C)C1 ZINC001609973077 1352133144 /nfs/dbraw/zinc/13/31/44/1352133144.db2.gz KMYUIVANRFSQEG-AWEZNQCLSA-N -1 1 337.395 2.401 20 0 EEADMM CCn1c(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)nc2ccccc21 ZINC001347262723 1337500657 /nfs/dbraw/zinc/50/06/57/1337500657.db2.gz UFPUUFHMDDDJNI-UHFFFAOYSA-N -1 1 343.412 2.079 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001610120840 1352166606 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328.315 2.166 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001610763454 1352270464 /nfs/dbraw/zinc/27/04/64/1352270464.db2.gz QKZHMTNCZDYUOB-NSHDSACASA-N -1 1 328.315 2.166 20 0 EEADMM O=C([O-])COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC001610786957 1352274459 /nfs/dbraw/zinc/27/44/59/1352274459.db2.gz SKNVODZEJGAXAX-GXTWGEPZSA-N -1 1 347.333 2.143 20 0 EEADMM O=C([O-])c1ccccc1CCN1CCN(Cc2cccc(O)c2)CC1 ZINC001610852072 1352285863 /nfs/dbraw/zinc/28/58/63/1352285863.db2.gz PBBJDZDYNBKNIM-UHFFFAOYSA-N -1 1 340.423 2.451 20 0 EEADMM CC(C)C[C@H](CNC(=O)CC1CCC1)NC(=O)c1ncccc1[O-] ZINC001431095904 1340447695 /nfs/dbraw/zinc/44/76/95/1340447695.db2.gz AVZGXKOJFXXXEZ-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(CCc1ccc(Cl)cc1Cl)NCc1nc([O-])cc(=O)[nH]1 ZINC001434230066 1341799278 /nfs/dbraw/zinc/79/92/78/1341799278.db2.gz BKHIBLIUTYCZEW-UHFFFAOYSA-N -1 1 342.182 2.444 20 0 EEADMM Cc1ccccc1CCCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434858295 1341970703 /nfs/dbraw/zinc/97/07/03/1341970703.db2.gz XPTUYCVFRXTRBS-UHFFFAOYSA-N -1 1 339.439 2.486 20 0 EEADMM CC(C)CSCCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001574231980 1343671149 /nfs/dbraw/zinc/67/11/49/1343671149.db2.gz AOCXZEQXLCAOIG-UHFFFAOYSA-N -1 1 333.461 2.296 20 0 EEADMM CCC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001576410456 1344010757 /nfs/dbraw/zinc/01/07/57/1344010757.db2.gz JFFJMQPKVKFZRA-UHFFFAOYSA-N -1 1 340.343 2.085 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155984 1344096112 /nfs/dbraw/zinc/09/61/12/1344096112.db2.gz IREJJZLQXJEPSU-CMPLNLGQSA-N -1 1 330.392 2.425 20 0 EEADMM CCCC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577203011 1344103457 /nfs/dbraw/zinc/10/34/57/1344103457.db2.gz NELUNHJBJGGUKF-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)N[C@@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577203011 1344103462 /nfs/dbraw/zinc/10/34/62/1344103462.db2.gz NELUNHJBJGGUKF-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001577301068 1344125305 /nfs/dbraw/zinc/12/53/05/1344125305.db2.gz OCCIXODWKXREPX-SNVBAGLBSA-N -1 1 341.412 2.110 20 0 EEADMM CCCCn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)n1 ZINC001577523563 1344158437 /nfs/dbraw/zinc/15/84/37/1344158437.db2.gz WTBZGGWDRZJGRF-UHFFFAOYSA-N -1 1 345.432 2.163 20 0 EEADMM CCOc1cncc(COC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001578405190 1344274542 /nfs/dbraw/zinc/27/45/42/1344274542.db2.gz APSPPLFQKBJWJM-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1-c1nn[n-]n1 ZINC001580133293 1344478247 /nfs/dbraw/zinc/47/82/47/1344478247.db2.gz KCVURGHIPBZFFQ-STQMWFEESA-N -1 1 342.403 2.447 20 0 EEADMM Cc1cc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)ccc1F ZINC001580808227 1344561361 /nfs/dbraw/zinc/56/13/61/1344561361.db2.gz VKJYRJCELPRKSX-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)ccc1F ZINC001580808227 1344561366 /nfs/dbraw/zinc/56/13/66/1344561366.db2.gz VKJYRJCELPRKSX-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001581196774 1344595839 /nfs/dbraw/zinc/59/58/39/1344595839.db2.gz HUJTZPLADMCYSO-UHFFFAOYSA-N -1 1 327.323 2.031 20 0 EEADMM Cc1ccc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001581196774 1344595843 /nfs/dbraw/zinc/59/58/43/1344595843.db2.gz HUJTZPLADMCYSO-UHFFFAOYSA-N -1 1 327.323 2.031 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CCCC(F)(F)C1 ZINC001582549395 1344760609 /nfs/dbraw/zinc/76/06/09/1344760609.db2.gz YPSHITYIATWJQL-QMMMGPOBSA-N -1 1 342.375 2.305 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOc2c(F)ccc(F)c21 ZINC001582744864 1344788575 /nfs/dbraw/zinc/78/85/75/1344788575.db2.gz LFLDMADGWZHADP-UHFFFAOYSA-N -1 1 349.322 2.246 20 0 EEADMM O=Cc1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1Br ZINC001582790200 1344791530 /nfs/dbraw/zinc/79/15/30/1344791530.db2.gz GRJXGNYTUZZOKA-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1Br ZINC001582790200 1344791534 /nfs/dbraw/zinc/79/15/34/1344791534.db2.gz GRJXGNYTUZZOKA-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc(Cl)sc1Cl ZINC001582807262 1344794503 /nfs/dbraw/zinc/79/45/03/1344794503.db2.gz SRSSLXMYRROUTC-UHFFFAOYSA-N -1 1 328.184 2.445 20 0 EEADMM Cc1ccc(C(=O)c2ccccc2C(=O)N(C)c2nn[n-]n2)cc1C ZINC001585910598 1348828270 /nfs/dbraw/zinc/82/82/70/1348828270.db2.gz GUKSBPKJQIUTAD-UHFFFAOYSA-N -1 1 335.367 2.324 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)c1cccs1 ZINC001588766872 1348932855 /nfs/dbraw/zinc/93/28/55/1348932855.db2.gz XMKZHJMHTSFKQK-BQYQJAHWSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)c1cccs1 ZINC001588766872 1348932856 /nfs/dbraw/zinc/93/28/56/1348932856.db2.gz XMKZHJMHTSFKQK-BQYQJAHWSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=Cc1cccnc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588772685 1348934096 /nfs/dbraw/zinc/93/40/96/1348934096.db2.gz PYKKOWLFJMUJEP-ALCCZGGFSA-N -1 1 347.791 2.414 20 0 EEADMM C[C@H](C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccsc1 ZINC001588957433 1348950444 /nfs/dbraw/zinc/95/04/44/1348950444.db2.gz HFYKQFPQLIGSRZ-JTQLQIEISA-N -1 1 340.412 2.406 20 0 EEADMM C[C@H](C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccsc1 ZINC001588957433 1348950447 /nfs/dbraw/zinc/95/04/47/1348950447.db2.gz HFYKQFPQLIGSRZ-JTQLQIEISA-N -1 1 340.412 2.406 20 0 EEADMM CC(C)(C)C1CCC(=CC(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC001589099792 1348960279 /nfs/dbraw/zinc/96/02/79/1348960279.db2.gz TUWUZOOMCJLJMB-UHFFFAOYSA-N -1 1 329.408 2.448 20 0 EEADMM CC(C)(C)OC(=O)CCSc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589155331 1348967225 /nfs/dbraw/zinc/96/72/25/1348967225.db2.gz BIJZEDXWTZKOAZ-UHFFFAOYSA-N -1 1 348.432 2.358 20 0 EEADMM CC(C)(C)OC(=O)CCSc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589155331 1348967227 /nfs/dbraw/zinc/96/72/27/1348967227.db2.gz BIJZEDXWTZKOAZ-UHFFFAOYSA-N -1 1 348.432 2.358 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2ccsc2-c2nnn[n-]2)cn1 ZINC001589258418 1348976027 /nfs/dbraw/zinc/97/60/27/1348976027.db2.gz AOIRXCFRWNKTCT-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2ccsc2-c2nn[n-]n2)cn1 ZINC001589258418 1348976029 /nfs/dbraw/zinc/97/60/29/1348976029.db2.gz AOIRXCFRWNKTCT-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)(CNc1cccnc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001589292697 1348979883 /nfs/dbraw/zinc/97/98/83/1348979883.db2.gz HXBMNAYBMVTCLF-UHFFFAOYSA-N -1 1 338.371 2.380 20 0 EEADMM CC(C)(CNc1cccnc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001589292697 1348979887 /nfs/dbraw/zinc/97/98/87/1348979887.db2.gz HXBMNAYBMVTCLF-UHFFFAOYSA-N -1 1 338.371 2.380 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001589976992 1349089607 /nfs/dbraw/zinc/08/96/07/1349089607.db2.gz XJVAZLKPCVNAKD-ZETCQYMHSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001589976992 1349089614 /nfs/dbraw/zinc/08/96/14/1349089614.db2.gz XJVAZLKPCVNAKD-ZETCQYMHSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001590141110 1349172337 /nfs/dbraw/zinc/17/23/37/1349172337.db2.gz AJRKYZANNMQXSZ-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001590141110 1349172341 /nfs/dbraw/zinc/17/23/41/1349172341.db2.gz AJRKYZANNMQXSZ-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590141590 1349172493 /nfs/dbraw/zinc/17/24/93/1349172493.db2.gz KGTSAMLHNIRZHX-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590184258 1349186068 /nfs/dbraw/zinc/18/60/68/1349186068.db2.gz FLCWASAMBKJAHD-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590184258 1349186073 /nfs/dbraw/zinc/18/60/73/1349186073.db2.gz FLCWASAMBKJAHD-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CC[C@@](C)(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1(C)C ZINC001590225685 1349210774 /nfs/dbraw/zinc/21/07/74/1349210774.db2.gz VRWFGOOECTYVBS-SSKBKPHLSA-N -1 1 329.408 2.304 20 0 EEADMM C[C@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1C ZINC001590267180 1349239919 /nfs/dbraw/zinc/23/99/19/1349239919.db2.gz LJZZSRAZJPCNMN-WDSKDSINSA-N -1 1 327.801 2.239 20 0 EEADMM C[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC001590275422 1349244168 /nfs/dbraw/zinc/24/41/68/1349244168.db2.gz YVGQZXLPQCPZPL-HZMBPMFUSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590337478 1349273599 /nfs/dbraw/zinc/27/35/99/1349273599.db2.gz IXZCLSNPENJYCV-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590337478 1349273605 /nfs/dbraw/zinc/27/36/05/1349273605.db2.gz IXZCLSNPENJYCV-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@@H](C)CC(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001590404738 1349306559 /nfs/dbraw/zinc/30/65/59/1349306559.db2.gz YOIWNIZDWKWCHK-WWQCOOJYSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590406355 1349307208 /nfs/dbraw/zinc/30/72/08/1349307208.db2.gz MEWHPZHYALTHNO-ZJUUUORDSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590406352 1349307564 /nfs/dbraw/zinc/30/75/64/1349307564.db2.gz MEWHPZHYALTHNO-NXEZZACHSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Oc1cccc(C)c1 ZINC001590442584 1349327681 /nfs/dbraw/zinc/32/76/81/1349327681.db2.gz BPVMZPOAYAAFRH-GFCCVEGCSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Oc1cccc(C)c1 ZINC001590442584 1349327688 /nfs/dbraw/zinc/32/76/88/1349327688.db2.gz BPVMZPOAYAAFRH-GFCCVEGCSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590504115 1349357703 /nfs/dbraw/zinc/35/77/03/1349357703.db2.gz BFUNVCGFUYIJLE-KOLCDFICSA-N -1 1 331.380 2.065 20 0 EEADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(-c2nn[nH]n2)ccc1OC ZINC001590554824 1349369212 /nfs/dbraw/zinc/36/92/12/1349369212.db2.gz LMQWRCRKWVEELF-LLVKDONJSA-N -1 1 339.421 2.196 20 0 EEADMM CCN(C[C@@H]1CCOC1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590691282 1349391308 /nfs/dbraw/zinc/39/13/08/1349391308.db2.gz TZJZUIKOAVJZRM-VIFPVBQESA-N -1 1 342.325 2.143 20 0 EEADMM CCN(C[C@@H]1CCOC1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590691282 1349391316 /nfs/dbraw/zinc/39/13/16/1349391316.db2.gz TZJZUIKOAVJZRM-VIFPVBQESA-N -1 1 342.325 2.143 20 0 EEADMM CCc1nc(NCCc2ccc(OC)c(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590922109 1349411883 /nfs/dbraw/zinc/41/18/83/1349411883.db2.gz BPFPYQVLIYFDAL-UHFFFAOYSA-N -1 1 343.366 2.021 20 0 EEADMM CCc1nc(NCCc2ccc(OC)c(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590922109 1349411889 /nfs/dbraw/zinc/41/18/89/1349411889.db2.gz BPFPYQVLIYFDAL-UHFFFAOYSA-N -1 1 343.366 2.021 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001590923745 1349415013 /nfs/dbraw/zinc/41/50/13/1349415013.db2.gz YJQBATJRXXVUHC-CMPLNLGQSA-N -1 1 325.351 2.326 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001590923745 1349415015 /nfs/dbraw/zinc/41/50/15/1349415015.db2.gz YJQBATJRXXVUHC-CMPLNLGQSA-N -1 1 325.351 2.326 20 0 EEADMM COC(=O)c1sccc1CSc1cccnc1-c1nnn[n-]1 ZINC001591309431 1349459906 /nfs/dbraw/zinc/45/99/06/1349459906.db2.gz OLVFGINIQDTSSV-UHFFFAOYSA-N -1 1 333.398 2.402 20 0 EEADMM COC(=O)c1sccc1CSc1cccnc1-c1nn[n-]n1 ZINC001591309431 1349459913 /nfs/dbraw/zinc/45/99/13/1349459913.db2.gz OLVFGINIQDTSSV-UHFFFAOYSA-N -1 1 333.398 2.402 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H](c2ccc(F)cc2)C(C)C)c1-c1nn[n-]n1 ZINC001592328508 1349622445 /nfs/dbraw/zinc/62/24/45/1349622445.db2.gz VSIOIQHRISEDFO-LBPRGKRZSA-N -1 1 343.366 2.416 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1 ZINC001592341375 1349623060 /nfs/dbraw/zinc/62/30/60/1349623060.db2.gz RHGGCKOHFLOPSE-MRVPVSSYSA-N -1 1 343.341 2.367 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3c(F)cc(F)cc3[C@H]2C)n1 ZINC001592341375 1349623061 /nfs/dbraw/zinc/62/30/61/1349623061.db2.gz RHGGCKOHFLOPSE-MRVPVSSYSA-N -1 1 343.341 2.367 20 0 EEADMM Cc1nn(C)c(NC(=O)CC(C)(C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC001592433969 1349632004 /nfs/dbraw/zinc/63/20/04/1349632004.db2.gz KMAQMOXQTKZPIE-UHFFFAOYSA-N -1 1 345.329 2.216 20 0 EEADMM Cc1nn(C)c(NC(=O)CC(C)(C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC001592433969 1349632005 /nfs/dbraw/zinc/63/20/05/1349632005.db2.gz KMAQMOXQTKZPIE-UHFFFAOYSA-N -1 1 345.329 2.216 20 0 EEADMM Cc1nsc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001592472174 1349634700 /nfs/dbraw/zinc/63/47/00/1349634700.db2.gz UEYLHFZJDKFBHZ-HTRCEHHLSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)COc2ccccc2)c1-c1nnn[n-]1 ZINC001592480137 1349635824 /nfs/dbraw/zinc/63/58/24/1349635824.db2.gz UMNXHJYKBGCNDK-SECBINFHSA-N -1 1 344.400 2.285 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)COc2ccccc2)c1-c1nn[n-]n1 ZINC001592480137 1349635826 /nfs/dbraw/zinc/63/58/26/1349635826.db2.gz UMNXHJYKBGCNDK-SECBINFHSA-N -1 1 344.400 2.285 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)c1ccccc1N(C)C ZINC001592494981 1349637287 /nfs/dbraw/zinc/63/72/87/1349637287.db2.gz GUAOXWSOBDSHNF-UHFFFAOYSA-N -1 1 326.360 2.111 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)c1ccccc1N(C)C ZINC001592494981 1349637288 /nfs/dbraw/zinc/63/72/88/1349637288.db2.gz GUAOXWSOBDSHNF-UHFFFAOYSA-N -1 1 326.360 2.111 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC001592502484 1349638241 /nfs/dbraw/zinc/63/82/41/1349638241.db2.gz SXJGZEIATSITGP-SCZZXKLOSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]([C@H]1CCCO1)C(F)(F)F ZINC001592502484 1349638243 /nfs/dbraw/zinc/63/82/43/1349638243.db2.gz SXJGZEIATSITGP-SCZZXKLOSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001592502655 1349640801 /nfs/dbraw/zinc/64/08/01/1349640801.db2.gz PWMXYYWEUNQAIA-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H](C)Oc1cccc(F)c1 ZINC001592502655 1349640802 /nfs/dbraw/zinc/64/08/02/1349640802.db2.gz PWMXYYWEUNQAIA-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H]1C(F)F ZINC001592505113 1349642615 /nfs/dbraw/zinc/64/26/15/1349642615.db2.gz QWZMYQCRKDMRHF-SECBINFHSA-N -1 1 348.313 2.038 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H]1C(F)F ZINC001592505113 1349642616 /nfs/dbraw/zinc/64/26/16/1349642616.db2.gz QWZMYQCRKDMRHF-SECBINFHSA-N -1 1 348.313 2.038 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOc1ccc(F)cc1 ZINC001592504108 1349643168 /nfs/dbraw/zinc/64/31/68/1349643168.db2.gz UNKSIESKNXSAFQ-UHFFFAOYSA-N -1 1 332.291 2.143 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOc1ccc(F)cc1 ZINC001592504108 1349643172 /nfs/dbraw/zinc/64/31/72/1349643172.db2.gz UNKSIESKNXSAFQ-UHFFFAOYSA-N -1 1 332.291 2.143 20 0 EEADMM Clc1ccc(NCCCO[C@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001592532330 1349649027 /nfs/dbraw/zinc/64/90/27/1349649027.db2.gz ZWYGYRRETADSBJ-LBPRGKRZSA-N -1 1 338.799 2.260 20 0 EEADMM Clc1ccc(NCCCO[C@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001592532330 1349649029 /nfs/dbraw/zinc/64/90/29/1349649029.db2.gz ZWYGYRRETADSBJ-LBPRGKRZSA-N -1 1 338.799 2.260 20 0 EEADMM Clc1ccc2c(c1)[C@@H](Nc1ccnc(-c3nn[n-]n3)n1)CCS2 ZINC001592533470 1349649380 /nfs/dbraw/zinc/64/93/80/1349649380.db2.gz NEOPZMANJJXYRO-JTQLQIEISA-N -1 1 345.819 2.381 20 0 EEADMM Clc1cccc2c1[C@@H](NCc1nc(-c3nnn[n-]3)cs1)COC2 ZINC001592535785 1349651371 /nfs/dbraw/zinc/65/13/71/1349651371.db2.gz NBLGUUAKGUVOHY-JTQLQIEISA-N -1 1 348.819 2.338 20 0 EEADMM Clc1cccc2c1[C@@H](NCc1nc(-c3nn[n-]n3)cs1)COC2 ZINC001592535785 1349651373 /nfs/dbraw/zinc/65/13/73/1349651373.db2.gz NBLGUUAKGUVOHY-JTQLQIEISA-N -1 1 348.819 2.338 20 0 EEADMM Cn1c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)cc2nc1C1CC1 ZINC001592550843 1349656843 /nfs/dbraw/zinc/65/68/43/1349656843.db2.gz CRDLFDYLHAOETN-UHFFFAOYSA-N -1 1 349.354 2.476 20 0 EEADMM Cn1c2ccc(Cl)cc2nc1Sc1nnccc1-c1nn[n-]n1 ZINC001592557202 1349657297 /nfs/dbraw/zinc/65/72/97/1349657297.db2.gz SEZMJSZTOZWMSI-UHFFFAOYSA-N -1 1 344.791 2.348 20 0 EEADMM Cn1cc2c(n1)CCC[C@H]2Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001592577621 1349660355 /nfs/dbraw/zinc/66/03/55/1349660355.db2.gz KCCHLNAQSDGIFA-SSDOTTSWSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1cc2c(n1)CCC[C@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001592577621 1349660363 /nfs/dbraw/zinc/66/03/63/1349660363.db2.gz KCCHLNAQSDGIFA-SSDOTTSWSA-N -1 1 336.812 2.200 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CCn3ccnc32)nc(-c2nnn[n-]2)c1 ZINC001592618785 1349673717 /nfs/dbraw/zinc/67/37/17/1349673717.db2.gz XBNNZKLCUOEFTG-MRVPVSSYSA-N -1 1 336.281 2.034 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2CCn3ccnc32)nc(-c2nn[n-]n2)c1 ZINC001592618785 1349673721 /nfs/dbraw/zinc/67/37/21/1349673721.db2.gz XBNNZKLCUOEFTG-MRVPVSSYSA-N -1 1 336.281 2.034 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccnc(-c3nnn[n-]3)c1)CCS2 ZINC001592653049 1349698678 /nfs/dbraw/zinc/69/86/78/1349698678.db2.gz HFKKBHQSMLEAIL-GFCCVEGCSA-N -1 1 328.376 2.472 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccnc(-c3nn[n-]n3)c1)CCS2 ZINC001592653049 1349698685 /nfs/dbraw/zinc/69/86/85/1349698685.db2.gz HFKKBHQSMLEAIL-GFCCVEGCSA-N -1 1 328.376 2.472 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1ccc2ccccc2c1 ZINC001592752879 1349712871 /nfs/dbraw/zinc/71/28/71/1349712871.db2.gz DRSOACPMVRCUBJ-UHFFFAOYSA-N -1 1 333.355 2.072 20 0 EEADMM O=C(Cc1ccsc1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592928144 1349727894 /nfs/dbraw/zinc/72/78/94/1349727894.db2.gz PDOKEEAQJJBNOT-UHFFFAOYSA-N -1 1 335.339 2.065 20 0 EEADMM O=C(Cc1ccsc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592928144 1349727895 /nfs/dbraw/zinc/72/78/95/1349727895.db2.gz PDOKEEAQJJBNOT-UHFFFAOYSA-N -1 1 335.339 2.065 20 0 EEADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccnc(-c2nnn[n-]2)c1 ZINC001593078266 1349737216 /nfs/dbraw/zinc/73/72/16/1349737216.db2.gz KPPHQJARUSBZMH-UHFFFAOYSA-N -1 1 347.382 2.106 20 0 EEADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccnc(-c2nn[n-]n2)c1 ZINC001593078266 1349737220 /nfs/dbraw/zinc/73/72/20/1349737220.db2.gz KPPHQJARUSBZMH-UHFFFAOYSA-N -1 1 347.382 2.106 20 0 EEADMM O=C(NCCCSc1cccnc1-c1nnn[n-]1)C1CCCC1 ZINC001593078094 1349737891 /nfs/dbraw/zinc/73/78/91/1349737891.db2.gz GVXMICKAXYKYER-UHFFFAOYSA-N -1 1 332.433 2.050 20 0 EEADMM O=C(NCCCSc1cccnc1-c1nn[n-]n1)C1CCCC1 ZINC001593078094 1349737892 /nfs/dbraw/zinc/73/78/92/1349737892.db2.gz GVXMICKAXYKYER-UHFFFAOYSA-N -1 1 332.433 2.050 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCCc2sccc2C1 ZINC001593255012 1349751391 /nfs/dbraw/zinc/75/13/91/1349751391.db2.gz BKORSDQRVGCMJL-UHFFFAOYSA-N -1 1 341.400 2.304 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCCc2sccc2C1 ZINC001593255012 1349751396 /nfs/dbraw/zinc/75/13/96/1349751396.db2.gz BKORSDQRVGCMJL-UHFFFAOYSA-N -1 1 341.400 2.304 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC001593256104 1349752017 /nfs/dbraw/zinc/75/20/17/1349752017.db2.gz MULMCDODUWSEEY-QMMMGPOBSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC001593256104 1349752020 /nfs/dbraw/zinc/75/20/20/1349752020.db2.gz MULMCDODUWSEEY-QMMMGPOBSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(OCC1(Br)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593282813 1349761842 /nfs/dbraw/zinc/76/18/42/1349761842.db2.gz GPLYMUWACDUGND-UHFFFAOYSA-N -1 1 329.179 2.013 20 0 EEADMM O=C(OCC1(Br)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593282813 1349761847 /nfs/dbraw/zinc/76/18/47/1349761847.db2.gz GPLYMUWACDUGND-UHFFFAOYSA-N -1 1 329.179 2.013 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1ccc(C2CC2)[nH]c1=O ZINC001593298587 1349771597 /nfs/dbraw/zinc/77/15/97/1349771597.db2.gz FNEJXGPBHKZJSZ-UHFFFAOYSA-N -1 1 343.368 2.263 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@]2(CC2(F)F)C1 ZINC001593314963 1349778691 /nfs/dbraw/zinc/77/86/91/1349778691.db2.gz FMVLWKIMRZNJAJ-HNNXBMFYSA-N -1 1 344.325 2.219 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(Cc2cccs2)C1 ZINC001593338595 1349784242 /nfs/dbraw/zinc/78/42/42/1349784242.db2.gz FLUJANGNWPSZMP-UHFFFAOYSA-N -1 1 331.426 2.304 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(Cc2cccs2)C1 ZINC001593338595 1349784244 /nfs/dbraw/zinc/78/42/44/1349784244.db2.gz FLUJANGNWPSZMP-UHFFFAOYSA-N -1 1 331.426 2.304 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1COCC[C@H]1c1ccccc1 ZINC001593339815 1349784915 /nfs/dbraw/zinc/78/49/15/1349784915.db2.gz YYBWLGQWUBMKNQ-LBPRGKRZSA-N -1 1 325.328 2.021 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1COCC[C@H]1c1ccccc1 ZINC001593339815 1349784917 /nfs/dbraw/zinc/78/49/17/1349784917.db2.gz YYBWLGQWUBMKNQ-LBPRGKRZSA-N -1 1 325.328 2.021 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(c2ccc(Cl)cc2)C1 ZINC001593341497 1349785952 /nfs/dbraw/zinc/78/59/52/1349785952.db2.gz XHPYZOYNGNVARM-UHFFFAOYSA-N -1 1 329.747 2.353 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(c2ccc(Cl)cc2)C1 ZINC001593341497 1349785955 /nfs/dbraw/zinc/78/59/55/1349785955.db2.gz XHPYZOYNGNVARM-UHFFFAOYSA-N -1 1 329.747 2.353 20 0 EEADMM O=C(c1cccs1)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593357021 1349789639 /nfs/dbraw/zinc/78/96/39/1349789639.db2.gz ZNGFJINAMKSLHY-UHFFFAOYSA-N -1 1 340.412 2.423 20 0 EEADMM O=C(c1cccs1)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593357021 1349789642 /nfs/dbraw/zinc/78/96/42/1349789642.db2.gz ZNGFJINAMKSLHY-UHFFFAOYSA-N -1 1 340.412 2.423 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@H](O)C1CCCCC1 ZINC001593494115 1349818016 /nfs/dbraw/zinc/81/80/16/1349818016.db2.gz JUVJKGBBIBHRRS-INIZCTEOSA-N -1 1 339.399 2.123 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1Cc1ccc(F)cc1 ZINC001593493227 1349818036 /nfs/dbraw/zinc/81/80/36/1349818036.db2.gz BSYVJRHDKDQQCK-UHFFFAOYSA-N -1 1 327.344 2.431 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC001593492089 1349818549 /nfs/dbraw/zinc/81/85/49/1349818549.db2.gz BIEMSPDRFPVNKO-OFAQMXQXSA-N -1 1 348.410 2.164 20 0 EEADMM [O-]c1cc(Br)cnc1CNc1cccc(-c2nn[nH]n2)c1 ZINC001593538743 1349835467 /nfs/dbraw/zinc/83/54/67/1349835467.db2.gz DJMAQNOPRAFCNQ-UHFFFAOYSA-N -1 1 347.176 2.342 20 0 EEADMM c1c(NCCOCC2CCCC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543079 1349838091 /nfs/dbraw/zinc/83/80/91/1349838091.db2.gz AVXPBCZRBOQKOI-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM c1c(NCCOCC2CCCC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543079 1349838098 /nfs/dbraw/zinc/83/80/98/1349838098.db2.gz AVXPBCZRBOQKOI-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM c1coc([C@H]2N(c3cccc(-c4nnn[n-]4)n3)CC23CCOCC3)c1 ZINC001593549841 1349843800 /nfs/dbraw/zinc/84/38/00/1349843800.db2.gz FTTNYPGPGMEYGW-OAHLLOKOSA-N -1 1 338.371 2.213 20 0 EEADMM c1coc([C@H]2N(c3cccc(-c4nn[n-]n4)n3)CC23CCOCC3)c1 ZINC001593549841 1349843803 /nfs/dbraw/zinc/84/38/03/1349843803.db2.gz FTTNYPGPGMEYGW-OAHLLOKOSA-N -1 1 338.371 2.213 20 0 EEADMM c1cnc2c(c1)CCC[C@@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593587355 1349867237 /nfs/dbraw/zinc/86/72/37/1349867237.db2.gz IKTMBRAAFZJCFM-LBPRGKRZSA-N -1 1 334.387 2.419 20 0 EEADMM c1cnc2c(c1)CCC[C@@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593587355 1349867240 /nfs/dbraw/zinc/86/72/40/1349867240.db2.gz IKTMBRAAFZJCFM-LBPRGKRZSA-N -1 1 334.387 2.419 20 0 EEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC001599999793 1349952756 /nfs/dbraw/zinc/95/27/56/1349952756.db2.gz JEPPVQFNUSMAGE-UHFFFAOYSA-N -1 1 333.369 2.161 20 0 EEADMM Cc1cc(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c1C(=O)[O-] ZINC001600190694 1349988804 /nfs/dbraw/zinc/98/88/04/1349988804.db2.gz VDEAOMRYZHZLCM-ZDUSSCGKSA-N -1 1 337.420 2.463 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)n[nH]1 ZINC001600189100 1349988841 /nfs/dbraw/zinc/98/88/41/1349988841.db2.gz KCAWSDLZGANBEY-ZETCQYMHSA-N -1 1 338.314 2.447 20 0 EEADMM Cc1cc(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC001600195346 1349989882 /nfs/dbraw/zinc/98/98/82/1349989882.db2.gz KYCKGFYIGLZCIX-INIZCTEOSA-N -1 1 348.834 2.315 20 0 EEADMM Cc1cc(CNCc2ccc(C(=O)NC3CC3)cc2)oc1C(=O)[O-] ZINC001600209737 1349993523 /nfs/dbraw/zinc/99/35/23/1349993523.db2.gz UCJBFOOWPNOVHR-UHFFFAOYSA-N -1 1 328.368 2.468 20 0 EEADMM Cc1cc(NC(=O)c2cc(C(=O)[O-])co2)ccc1N1CCN(C)CC1 ZINC001600273410 1350008185 /nfs/dbraw/zinc/00/81/85/1350008185.db2.gz OFJQADCULCBUKK-UHFFFAOYSA-N -1 1 343.383 2.290 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C[C@@H]1CCOC1)C1CC1 ZINC001600355123 1350027650 /nfs/dbraw/zinc/02/76/50/1350027650.db2.gz MLQRIVHIHXWRRI-ZDUSSCGKSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc(N2CCC[C@H](N[C@H](C[C@@H]3CCCO3)C(=O)[O-])C2=O)cc1 ZINC001600434287 1350050097 /nfs/dbraw/zinc/05/00/97/1350050097.db2.gz ANFLTSIPGBCZQY-YESZJQIVSA-N -1 1 346.427 2.102 20 0 EEADMM Cc1ccc2[nH]c(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c(Cl)c2c1 ZINC001600489849 1350064265 /nfs/dbraw/zinc/06/42/65/1350064265.db2.gz XWLVTHFZXHPLEN-LBPRGKRZSA-N -1 1 346.774 2.279 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CC[N@@H+](CCC(=O)[O-])[C@@H](C)C1 ZINC001600585711 1350090174 /nfs/dbraw/zinc/09/01/74/1350090174.db2.gz DJFFEJLMLYMUAN-INIZCTEOSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1ccccc1OCCCC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600585711 1350090179 /nfs/dbraw/zinc/09/01/79/1350090179.db2.gz DJFFEJLMLYMUAN-INIZCTEOSA-N -1 1 348.443 2.161 20 0 EEADMM Cc1ccccc1OCCN(C)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001600586217 1350091059 /nfs/dbraw/zinc/09/10/59/1350091059.db2.gz HTAUBCWLHGRCKN-HNNXBMFYSA-N -1 1 348.443 2.017 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001600667453 1350113408 /nfs/dbraw/zinc/11/34/08/1350113408.db2.gz UBMRNQPSHFJJBQ-UHFFFAOYSA-N -1 1 341.371 2.346 20 0 EEADMM Cc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[nH]1 ZINC001600675312 1350114686 /nfs/dbraw/zinc/11/46/86/1350114686.db2.gz SFBYCGYMDAWTCG-UHFFFAOYSA-N -1 1 343.368 2.090 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)n1 ZINC001600675312 1350114690 /nfs/dbraw/zinc/11/46/90/1350114690.db2.gz SFBYCGYMDAWTCG-UHFFFAOYSA-N -1 1 343.368 2.090 20 0 EEADMM Cc1ncc(NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)cc1C(=O)[O-] ZINC001600743695 1350126646 /nfs/dbraw/zinc/12/66/46/1350126646.db2.gz LDYFWAJVIJFYAN-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1noc(C[C@H](NCc2ccc(C(=O)[O-])n2C)c2ccccc2)n1 ZINC001600813553 1350142329 /nfs/dbraw/zinc/14/23/29/1350142329.db2.gz MRLBTZPNHPUCHH-HNNXBMFYSA-N -1 1 340.383 2.488 20 0 EEADMM Cn1c(CN2CCC(NC(=O)CC3CCCC3)CC2)ccc1C(=O)[O-] ZINC001600914067 1350167450 /nfs/dbraw/zinc/16/74/50/1350167450.db2.gz XYSYBIPDXYDVGB-UHFFFAOYSA-N -1 1 347.459 2.384 20 0 EEADMM Cn1cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC001600941706 1350173120 /nfs/dbraw/zinc/17/31/20/1350173120.db2.gz SRIRVTNAKZHFAH-UHFFFAOYSA-N -1 1 349.412 2.124 20 0 EEADMM Cn1ccc([C@@H]2CCC[N@@H+](Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001600975111 1350180705 /nfs/dbraw/zinc/18/07/05/1350180705.db2.gz KTVOSAHVXBQNEI-CQSZACIVSA-N -1 1 339.399 2.305 20 0 EEADMM Cn1ccc([C@@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001600975111 1350180707 /nfs/dbraw/zinc/18/07/07/1350180707.db2.gz KTVOSAHVXBQNEI-CQSZACIVSA-N -1 1 339.399 2.305 20 0 EEADMM N[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601171550 1350224988 /nfs/dbraw/zinc/22/49/88/1350224988.db2.gz DSYYHENYWZEPGU-ZKYQVNSYSA-N -1 1 344.333 2.465 20 0 EEADMM N[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001601171549 1350225002 /nfs/dbraw/zinc/22/50/02/1350225002.db2.gz DSYYHENYWZEPGU-SUHUHFCYSA-N -1 1 344.333 2.465 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)NCCC1=CCCCC1 ZINC001601323542 1350257147 /nfs/dbraw/zinc/25/71/47/1350257147.db2.gz IKNCEZYTXMNUMZ-KRWDZBQOSA-N -1 1 330.428 2.279 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC001601323281 1350257194 /nfs/dbraw/zinc/25/71/94/1350257194.db2.gz UQBWQZMUJZKBDS-ROUUACIJSA-N -1 1 330.428 2.487 20 0 EEADMM O=C([O-])[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC001601326292 1350258274 /nfs/dbraw/zinc/25/82/74/1350258274.db2.gz VKUWIGMVNRZZKA-GFCCVEGCSA-N -1 1 330.356 2.393 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1n[nH]nc1-c1ccccc1)c1ccccc1 ZINC001601456248 1350287461 /nfs/dbraw/zinc/28/74/61/1350287461.db2.gz WTKLDKXXRYRPEZ-AWEZNQCLSA-N -1 1 336.351 2.070 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC001601533799 1350302369 /nfs/dbraw/zinc/30/23/69/1350302369.db2.gz AYESFHWTTCPZHH-CYBMUJFWSA-N -1 1 332.335 2.124 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001601565686 1350307873 /nfs/dbraw/zinc/30/78/73/1350307873.db2.gz LEEOCTVQWMAJGG-OIISXLGYSA-N -1 1 341.411 2.181 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001601693743 1350339626 /nfs/dbraw/zinc/33/96/26/1350339626.db2.gz MGVCURFROZOTOK-DXBFQKDVSA-N -1 1 330.167 2.224 20 0 EEADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692303 1350339771 /nfs/dbraw/zinc/33/97/71/1350339771.db2.gz ZGMDWZVEDIXITO-HQJQHLMTSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@]1(C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1c1ccccc1 ZINC001601701435 1350342389 /nfs/dbraw/zinc/34/23/89/1350342389.db2.gz NTKUSGOMLPICEI-KUHUBIRLSA-N -1 1 335.363 2.438 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@H]2CCC[C@H]21 ZINC001601827565 1350374373 /nfs/dbraw/zinc/37/43/73/1350374373.db2.gz BJOCRGRVGZNBHX-ZOWXZIJZSA-N -1 1 327.384 2.411 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C[C@H](O)c1ccc(F)c(F)c1 ZINC001601864935 1350384652 /nfs/dbraw/zinc/38/46/52/1350384652.db2.gz UBXSAJXIUSDUSF-IRXDYDNUSA-N -1 1 349.333 2.215 20 0 EEADMM O=C([O-])CC1(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001601915735 1350396234 /nfs/dbraw/zinc/39/62/34/1350396234.db2.gz SSCHGGQKBOXIJH-UHFFFAOYSA-N -1 1 336.819 2.353 20 0 EEADMM O=C([O-])CC1(NCc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC001601937226 1350401139 /nfs/dbraw/zinc/40/11/39/1350401139.db2.gz MCYWNGPJPIJISV-UHFFFAOYSA-N -1 1 345.424 2.170 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC001601955038 1350405142 /nfs/dbraw/zinc/40/51/42/1350405142.db2.gz JUPVYRWKZHJHCU-HNNXBMFYSA-N -1 1 348.447 2.341 20 0 EEADMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc(-c2c(F)cccc2F)cs1 ZINC001602202776 1350464354 /nfs/dbraw/zinc/46/43/54/1350464354.db2.gz FWALDRUQBXXIMV-IINYFYTJSA-N -1 1 340.351 2.420 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(N3CCOC3=O)CC2)cc1Cl ZINC001602336647 1350497432 /nfs/dbraw/zinc/49/74/32/1350497432.db2.gz KFFHDSWCPDXCCC-UHFFFAOYSA-N -1 1 338.791 2.455 20 0 EEADMM O=C([O-])c1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c2ncccc12 ZINC001602336628 1350497704 /nfs/dbraw/zinc/49/77/04/1350497704.db2.gz JMOGDZSLKITSGK-HNNXBMFYSA-N -1 1 340.301 2.432 20 0 EEADMM O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1Cl ZINC001602438290 1350520115 /nfs/dbraw/zinc/52/01/15/1350520115.db2.gz KFIITBZWOBAMHD-CQSZACIVSA-N -1 1 338.835 2.335 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cccc4nc[nH]c(=O)c43)[nH]c21 ZINC001602454519 1350522872 /nfs/dbraw/zinc/52/28/72/1350522872.db2.gz OTCBDPJJNHNTDU-UHFFFAOYSA-N -1 1 349.306 2.162 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3csc4cncn43)[nH]c21 ZINC001602453930 1350522947 /nfs/dbraw/zinc/52/29/47/1350522947.db2.gz BMGAEKUKDYUXHV-UHFFFAOYSA-N -1 1 327.325 2.223 20 0 EEADMM O=C([O-])c1cnc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 ZINC001602523433 1350538407 /nfs/dbraw/zinc/53/84/07/1350538407.db2.gz PGIPDHSFQPDPKZ-HIFRSBDPSA-N -1 1 333.775 2.448 20 0 EEADMM O=C([O-])c1cncc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC001602541218 1350542249 /nfs/dbraw/zinc/54/22/49/1350542249.db2.gz HLWJMTHZFRSFLM-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(CN2CC3(CCCC3)CC2=O)C1 ZINC001602634246 1350562873 /nfs/dbraw/zinc/56/28/73/1350562873.db2.gz AFTZLUIHBHVCLT-HXUWFJFHSA-N -1 1 342.439 2.465 20 0 EEADMM CC(C)n1nnnc1-c1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001603436086 1350705206 /nfs/dbraw/zinc/70/52/06/1350705206.db2.gz DYOHXZAPUWBOPE-UHFFFAOYSA-N -1 1 348.374 2.240 20 0 EEADMM CC(C)n1nnnc1-c1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001603436086 1350705209 /nfs/dbraw/zinc/70/52/09/1350705209.db2.gz DYOHXZAPUWBOPE-UHFFFAOYSA-N -1 1 348.374 2.240 20 0 EEADMM C[C@]1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC[C@@H]1O ZINC001603808610 1350773668 /nfs/dbraw/zinc/77/36/68/1350773668.db2.gz YGROGZBGIWEJET-JVXZTZIISA-N -1 1 328.829 2.330 20 0 EEADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604030250 1350834266 /nfs/dbraw/zinc/83/42/66/1350834266.db2.gz QEMOWMBLNIVEFA-OAHLLOKOSA-N -1 1 336.399 2.403 20 0 EEADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604030250 1350834267 /nfs/dbraw/zinc/83/42/67/1350834267.db2.gz QEMOWMBLNIVEFA-OAHLLOKOSA-N -1 1 336.399 2.403 20 0 EEADMM C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cnn(C)c1 ZINC001604077733 1350848841 /nfs/dbraw/zinc/84/88/41/1350848841.db2.gz WZHKVTZMLDNLCP-VIFPVBQESA-N -1 1 327.344 2.127 20 0 EEADMM CC/C=C\CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001604120565 1350865219 /nfs/dbraw/zinc/86/52/19/1350865219.db2.gz VPEXPLAWXYNVQC-PLNGDYQASA-N -1 1 326.360 2.255 20 0 EEADMM CC/C=C\CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001604120565 1350865222 /nfs/dbraw/zinc/86/52/22/1350865222.db2.gz VPEXPLAWXYNVQC-PLNGDYQASA-N -1 1 326.360 2.255 20 0 EEADMM CCCC[C@@H](CCC)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604163745 1350880638 /nfs/dbraw/zinc/88/06/38/1350880638.db2.gz SZYVNMAKWSSMAH-SNVBAGLBSA-N -1 1 337.453 2.481 20 0 EEADMM CCCC[C@@H](CCC)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604163745 1350880643 /nfs/dbraw/zinc/88/06/43/1350880643.db2.gz SZYVNMAKWSSMAH-SNVBAGLBSA-N -1 1 337.453 2.481 20 0 EEADMM CCCCN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)s1 ZINC001604181568 1350886281 /nfs/dbraw/zinc/88/62/81/1350886281.db2.gz BPMQCUAVBWQFMS-UHFFFAOYSA-N -1 1 325.463 2.420 20 0 EEADMM CCCN(CCc1cccc(F)c1)c1cc(-c2nnn[n-]2)ncn1 ZINC001604214789 1350895084 /nfs/dbraw/zinc/89/50/84/1350895084.db2.gz UYUVHAGLDYCUQL-UHFFFAOYSA-N -1 1 327.367 2.255 20 0 EEADMM CCCN(CCc1cccc(F)c1)c1cc(-c2nn[n-]n2)ncn1 ZINC001604214789 1350895087 /nfs/dbraw/zinc/89/50/87/1350895087.db2.gz UYUVHAGLDYCUQL-UHFFFAOYSA-N -1 1 327.367 2.255 20 0 EEADMM CCN(CCSC)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604320191 1350914823 /nfs/dbraw/zinc/91/48/23/1350914823.db2.gz RAJPMXAGGNKWBE-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CCN(CCSC)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604320191 1350914826 /nfs/dbraw/zinc/91/48/26/1350914826.db2.gz RAJPMXAGGNKWBE-UHFFFAOYSA-N -1 1 332.355 2.470 20 0 EEADMM CCc1cccc(F)c1COC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604531434 1350956016 /nfs/dbraw/zinc/95/60/16/1350956016.db2.gz KKYBLXMULDUDTD-UHFFFAOYSA-N -1 1 341.346 2.249 20 0 EEADMM CCc1cccc(F)c1COC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604531434 1350956017 /nfs/dbraw/zinc/95/60/17/1350956017.db2.gz KKYBLXMULDUDTD-UHFFFAOYSA-N -1 1 341.346 2.249 20 0 EEADMM CC1([C@@H]2CCCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)OCCO1 ZINC001604565164 1350961264 /nfs/dbraw/zinc/96/12/64/1350961264.db2.gz FMIAEAJISYJHDO-CYBMUJFWSA-N -1 1 345.399 2.236 20 0 EEADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001604636525 1350974423 /nfs/dbraw/zinc/97/44/23/1350974423.db2.gz MZGUQSLBZDGGMU-JOYOIKCWSA-N -1 1 338.770 2.355 20 0 EEADMM CN(C)c1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001604704750 1350988745 /nfs/dbraw/zinc/98/87/45/1350988745.db2.gz WQRYZPMKQLXZOG-UHFFFAOYSA-N -1 1 344.325 2.463 20 0 EEADMM CN(C)c1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001604704750 1350988747 /nfs/dbraw/zinc/98/87/47/1350988747.db2.gz WQRYZPMKQLXZOG-UHFFFAOYSA-N -1 1 344.325 2.463 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604766679 1350999024 /nfs/dbraw/zinc/99/90/24/1350999024.db2.gz KZGKEYZYJGPDPY-SUYBPPKGSA-N -1 1 341.411 2.135 20 0 EEADMM COC(=O)CCCCCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604934618 1351034292 /nfs/dbraw/zinc/03/42/92/1351034292.db2.gz PKKHOBFRIAJSNC-UHFFFAOYSA-N -1 1 345.407 2.070 20 0 EEADMM COC(=O)CCCCCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604934618 1351034296 /nfs/dbraw/zinc/03/42/96/1351034296.db2.gz PKKHOBFRIAJSNC-UHFFFAOYSA-N -1 1 345.407 2.070 20 0 EEADMM CC[C@@H](C)N1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001604965252 1351039977 /nfs/dbraw/zinc/03/99/77/1351039977.db2.gz JWQBUBBWDYWPGJ-RISCZKNCSA-N -1 1 335.448 2.317 20 0 EEADMM COC(=O)c1ccc(N2CCC[C@@H](C(C)C)CC2)c(-c2nnn[n-]2)n1 ZINC001604972878 1351042814 /nfs/dbraw/zinc/04/28/14/1351042814.db2.gz GHKFSILNKJYQGH-GFCCVEGCSA-N -1 1 344.419 2.311 20 0 EEADMM COC(=O)c1ccc(N2CCC[C@@H](C(C)C)CC2)c(-c2nn[n-]n2)n1 ZINC001604972878 1351042820 /nfs/dbraw/zinc/04/28/20/1351042820.db2.gz GHKFSILNKJYQGH-GFCCVEGCSA-N -1 1 344.419 2.311 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605014218 1351055167 /nfs/dbraw/zinc/05/51/67/1351055167.db2.gz RHDWSEAWJWIGAR-MEBBXXQBSA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605014218 1351055168 /nfs/dbraw/zinc/05/51/68/1351055168.db2.gz RHDWSEAWJWIGAR-MEBBXXQBSA-N -1 1 328.351 2.011 20 0 EEADMM COCc1sccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001605140496 1351087004 /nfs/dbraw/zinc/08/70/04/1351087004.db2.gz ZKCWDWYRFDMQJK-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COc1ccc(C2(NC(=O)c3cc(-c4nnn[n-]4)oc3C)CC2)cc1 ZINC001605265640 1351119765 /nfs/dbraw/zinc/11/97/65/1351119765.db2.gz IGDIUXNTYZNNNH-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM COc1ccc(C2(NC(=O)c3cc(-c4nn[n-]n4)oc3C)CC2)cc1 ZINC001605265640 1351119767 /nfs/dbraw/zinc/11/97/67/1351119767.db2.gz IGDIUXNTYZNNNH-UHFFFAOYSA-N -1 1 339.355 2.196 20 0 EEADMM COc1nc(COC(=O)c2sccc2-c2nn[n-]n2)c(C)cc1C ZINC001605343846 1351142106 /nfs/dbraw/zinc/14/21/06/1351142106.db2.gz BJUOXDBSCMWZFY-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](C)COCc2ccccc2)c1 ZINC001605510589 1351174833 /nfs/dbraw/zinc/17/48/33/1351174833.db2.gz FGYDYUNOJFEVJO-CQSZACIVSA-N -1 1 339.399 2.190 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2OCCc3ccccc32)c1 ZINC001605557523 1351189984 /nfs/dbraw/zinc/18/99/84/1351189984.db2.gz RVMZHUORCUDDMF-INIZCTEOSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2OCCc3ccccc32)c1 ZINC001605557523 1351189985 /nfs/dbraw/zinc/18/99/85/1351189985.db2.gz RVMZHUORCUDDMF-INIZCTEOSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1ccc(C)c(CC(=O)OCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605829772 1351231075 /nfs/dbraw/zinc/23/10/75/1351231075.db2.gz NMDULXGDXDVVLR-UHFFFAOYSA-N -1 1 329.385 2.226 20 0 EEADMM Cc1ccc(C)c(CC(=O)OCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001605829772 1351231078 /nfs/dbraw/zinc/23/10/78/1351231078.db2.gz NMDULXGDXDVVLR-UHFFFAOYSA-N -1 1 329.385 2.226 20 0 EEADMM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001605835576 1351232080 /nfs/dbraw/zinc/23/20/80/1351232080.db2.gz OUFOQJNMMYAPNX-KRWDZBQOSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001605835576 1351232083 /nfs/dbraw/zinc/23/20/83/1351232083.db2.gz OUFOQJNMMYAPNX-KRWDZBQOSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1ccc(CCn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)cc1 ZINC001605843457 1351234558 /nfs/dbraw/zinc/23/45/58/1351234558.db2.gz TZPMWRBEGBFOTL-UHFFFAOYSA-N -1 1 349.394 2.099 20 0 EEADMM Cc1nsc(N2CCN(c3ccc(C)cc3)CC2)c1-c1nn[n-]n1 ZINC001605867474 1351241577 /nfs/dbraw/zinc/24/15/77/1351241577.db2.gz MMMNMPSNFGDCTM-UHFFFAOYSA-N -1 1 341.444 2.267 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)c1C ZINC001605919611 1351254019 /nfs/dbraw/zinc/25/40/19/1351254019.db2.gz JIVXMSCBFPYFHJ-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Clc1ccc(CN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001606191195 1351284157 /nfs/dbraw/zinc/28/41/57/1351284157.db2.gz PLBUSSZPDBCGCB-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(CN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001606191195 1351284161 /nfs/dbraw/zinc/28/41/61/1351284161.db2.gz PLBUSSZPDBCGCB-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM COC(=O)c1cc(Br)oc1CN[C@@H]1CC=C(C(=O)[O-])C1 ZINC001606535139 1351318513 /nfs/dbraw/zinc/31/85/13/1351318513.db2.gz UJCPSMMBFYOSAO-MRVPVSSYSA-N -1 1 344.161 2.092 20 0 EEADMM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001606704410 1351344748 /nfs/dbraw/zinc/34/47/48/1351344748.db2.gz YRBHOFGAIPGJPG-ZBEGNZNMSA-N -1 1 340.807 2.151 20 0 EEADMM O=C(NC[C@@H]1CC1(Cl)Cl)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606721199 1351346497 /nfs/dbraw/zinc/34/64/97/1351346497.db2.gz YEAJIFLSFRWMSI-LURJTMIESA-N -1 1 348.140 2.069 20 0 EEADMM O=C(NC[C@@H]1CC1(Cl)Cl)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606721199 1351346503 /nfs/dbraw/zinc/34/65/03/1351346503.db2.gz YEAJIFLSFRWMSI-LURJTMIESA-N -1 1 348.140 2.069 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccnn1C1CCC1 ZINC001606831445 1351363211 /nfs/dbraw/zinc/36/32/11/1351363211.db2.gz ZZJDHMPVBFKGAS-UHFFFAOYSA-N -1 1 344.404 2.171 20 0 EEADMM O=C(NCc1ccnc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001606839378 1351365257 /nfs/dbraw/zinc/36/52/57/1351365257.db2.gz HSCPCWRMIVRSCM-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM O=C(NCc1ccnc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606839378 1351365259 /nfs/dbraw/zinc/36/52/59/1351365259.db2.gz HSCPCWRMIVRSCM-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001606842235 1351365708 /nfs/dbraw/zinc/36/57/08/1351365708.db2.gz LYGKALLMEJGXJT-NHAGDIPZSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001606842235 1351365713 /nfs/dbraw/zinc/36/57/13/1351365713.db2.gz LYGKALLMEJGXJT-NHAGDIPZSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC001606842436 1351366111 /nfs/dbraw/zinc/36/61/11/1351366111.db2.gz RQRSJSUSURBEAQ-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC001606842436 1351366112 /nfs/dbraw/zinc/36/61/12/1351366112.db2.gz RQRSJSUSURBEAQ-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606876569 1351368931 /nfs/dbraw/zinc/36/89/31/1351368931.db2.gz QJRTXGIELPKWHL-CMPLNLGQSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606876569 1351368933 /nfs/dbraw/zinc/36/89/33/1351368933.db2.gz QJRTXGIELPKWHL-CMPLNLGQSA-N -1 1 329.360 2.353 20 0 EEADMM COCCO[C@]12CCC[C@@]1(NCc1cc(C)c(C(=O)[O-])o1)CCO2 ZINC001606906812 1351373265 /nfs/dbraw/zinc/37/32/65/1351373265.db2.gz JDEOBKUDLKFBGH-IAGOWNOFSA-N -1 1 339.388 2.078 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[nH]n1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606945499 1351381377 /nfs/dbraw/zinc/38/13/77/1351381377.db2.gz GQGWGDHGXTVGOD-CHWSQXEVSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606945499 1351381381 /nfs/dbraw/zinc/38/13/81/1351381381.db2.gz GQGWGDHGXTVGOD-CHWSQXEVSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1cnc2[nH]ccc2c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606945483 1351381463 /nfs/dbraw/zinc/38/14/63/1351381463.db2.gz GIQFUTSVJBYSMS-UHFFFAOYSA-N -1 1 344.338 2.428 20 0 EEADMM O=C(OCc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606979514 1351390943 /nfs/dbraw/zinc/39/09/43/1351390943.db2.gz GXGVOXFTZWYCMT-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606979514 1351390946 /nfs/dbraw/zinc/39/09/46/1351390946.db2.gz GXGVOXFTZWYCMT-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1conc1C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC001606985863 1351392833 /nfs/dbraw/zinc/39/28/33/1351392833.db2.gz YKGKFSMHZUQVGL-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001607026468 1351400519 /nfs/dbraw/zinc/40/05/19/1351400519.db2.gz CCFASIIRFHQVSH-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001607026468 1351400522 /nfs/dbraw/zinc/40/05/22/1351400522.db2.gz CCFASIIRFHQVSH-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM O=c1[nH]c2c(cc1CNc1nc(Cl)c(-c3nnn[n-]3)s1)CCC2 ZINC001607088424 1351413101 /nfs/dbraw/zinc/41/31/01/1351413101.db2.gz NZDSIOCXCCSUQB-UHFFFAOYSA-N -1 1 349.807 2.178 20 0 EEADMM O=c1[nH]c2c(cc1CNc1nc(Cl)c(-c3nn[n-]n3)s1)CCC2 ZINC001607088424 1351413106 /nfs/dbraw/zinc/41/31/06/1351413106.db2.gz NZDSIOCXCCSUQB-UHFFFAOYSA-N -1 1 349.807 2.178 20 0 EEADMM COc1ccc([C@@H](NC(=O)c2ccc3cncn3c2C)C(=O)[O-])cc1 ZINC001607226654 1351453471 /nfs/dbraw/zinc/45/34/71/1351453471.db2.gz AJPCXAGGCCLREB-MRXNPFEDSA-N -1 1 339.351 2.207 20 0 EEADMM COc1ccc([C@@H](NC(C)C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001607232962 1351454819 /nfs/dbraw/zinc/45/48/19/1351454819.db2.gz ZCNSYOBKDGNZAH-MRXNPFEDSA-N -1 1 343.383 2.466 20 0 EEADMM Cc1c(NC(=O)c2ccc(NC3=NCCC3)cc2)cnn1CC(=O)[O-] ZINC001607548956 1351514086 /nfs/dbraw/zinc/51/40/86/1351514086.db2.gz WTIFGEGCCLCKKT-UHFFFAOYSA-N -1 1 341.371 2.133 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC001607739319 1351549489 /nfs/dbraw/zinc/54/94/89/1351549489.db2.gz MYYPJWMYZQSXOP-CQSZACIVSA-N -1 1 336.432 2.361 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@@H](CO)CC(C)(C)C ZINC001607739319 1351549494 /nfs/dbraw/zinc/54/94/94/1351549494.db2.gz MYYPJWMYZQSXOP-CQSZACIVSA-N -1 1 336.432 2.361 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)O)C1 ZINC001607739061 1351549768 /nfs/dbraw/zinc/54/97/68/1351549768.db2.gz FDXAQNIXNGYTMZ-GUTXKFCHSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN(C[C@H](C)C(=O)[O-])C3CC3)C2)cc1 ZINC001607767426 1351554460 /nfs/dbraw/zinc/55/44/60/1351554460.db2.gz ZXIHAPMAUQWSFE-GOEBONIOSA-N -1 1 330.428 2.454 20 0 EEADMM Cc1cccc(C)c1NC(=S)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001607845232 1351570401 /nfs/dbraw/zinc/57/04/01/1351570401.db2.gz LSDUXACXMZADGF-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1cccn2cc(CN3CC[C@H](C(=O)[O-])C[C@@H]3[C@H]3CCCO3)nc12 ZINC001607887961 1351579895 /nfs/dbraw/zinc/57/98/95/1351579895.db2.gz YPVLWLZWLNNXJP-USXIJHARSA-N -1 1 343.427 2.487 20 0 EEADMM Cc1ccn(C[C@@H](C)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001607892277 1351580194 /nfs/dbraw/zinc/58/01/94/1351580194.db2.gz UQCKCFQEEKVGDF-SECBINFHSA-N -1 1 327.344 2.041 20 0 EEADMM Cc1nc(NC(=O)[C@H](C)N2CCC[C@](C)(C(=O)[O-])C2)sc1C ZINC001607963230 1351594046 /nfs/dbraw/zinc/59/40/46/1351594046.db2.gz WFFDNXKWEZDBLZ-BONVTDFDSA-N -1 1 325.434 2.274 20 0 EEADMM Cc1nccc(N2CCSC[C@@H](C(=O)[O-])C2)c1Br ZINC001607988269 1351598790 /nfs/dbraw/zinc/59/87/90/1351598790.db2.gz KPJGJMMTTGESDJ-VIFPVBQESA-N -1 1 331.235 2.407 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@H](C2CCOCC2)C1 ZINC001608332865 1351673175 /nfs/dbraw/zinc/67/31/75/1351673175.db2.gz NTRGBAZVIDZXPX-OAHLLOKOSA-N -1 1 346.427 2.462 20 0 EEADMM O=C([O-])[C@]12C[N@@H+](CC(=O)Nc3cccnc3Cl)C[C@H]1CCCC2 ZINC001608337425 1351673623 /nfs/dbraw/zinc/67/36/23/1351673623.db2.gz XSLWBWKEPHJGFH-BDJLRTHQSA-N -1 1 337.807 2.250 20 0 EEADMM O=C([O-])[C@]12CN(CC(=O)Nc3cccnc3Cl)C[C@H]1CCCC2 ZINC001608337425 1351673624 /nfs/dbraw/zinc/67/36/24/1351673624.db2.gz XSLWBWKEPHJGFH-BDJLRTHQSA-N -1 1 337.807 2.250 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)c2nc3ccccc3n2C)c(=O)[n-]1 ZINC001634318356 1352626342 /nfs/dbraw/zinc/62/63/42/1352626342.db2.gz XFSFQXBBSZNJQB-SECBINFHSA-N -1 1 343.412 2.282 20 0 EEADMM Cc1cn2c(nc(C)c2CNC(=O)c2ccc3oc([O-])nc3n2)s1 ZINC001636315837 1352662617 /nfs/dbraw/zinc/66/26/17/1352662617.db2.gz IQGKYXHXJQUPSN-UHFFFAOYSA-N -1 1 343.368 2.184 20 0 EEADMM CC1(C)C[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CCO1 ZINC001646589388 1352876316 /nfs/dbraw/zinc/87/63/16/1352876316.db2.gz JAGMDAAOXRNCLT-SNVBAGLBSA-N -1 1 344.408 2.341 20 0 EEADMM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646983602 1353089226 /nfs/dbraw/zinc/08/92/26/1353089226.db2.gz HURACTBAWTVCAR-GJZGRUSLSA-N -1 1 345.472 2.474 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC1(OC)CCCC1 ZINC001647215153 1353190115 /nfs/dbraw/zinc/19/01/15/1353190115.db2.gz SJPNBEZJRQZULO-UHFFFAOYSA-N -1 1 335.372 2.211 20 0 EEADMM CO[C@@H](CNCc1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC001647412260 1353268194 /nfs/dbraw/zinc/26/81/94/1353268194.db2.gz BBCXIIZXXKVBJS-AWEZNQCLSA-N -1 1 337.807 2.082 20 0 EEADMM CC(C)[C@H](C)c1nnc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1C ZINC001650263108 1353805482 /nfs/dbraw/zinc/80/54/82/1353805482.db2.gz LQJVQAAFZWHXPU-HZMBPMFUSA-N -1 1 347.385 2.222 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cc2n[nH]cc2c(C)c1)c1nn[n-]n1 ZINC001660009135 1354390989 /nfs/dbraw/zinc/39/09/89/1354390989.db2.gz VGCWLYHDIYHUMH-NSHDSACASA-N -1 1 346.420 2.000 20 0 EEADMM CC(C)c1cc(NC(=O)c2ccc(O)cc2[O-])n(-c2ncccn2)n1 ZINC000108731058 1358539089 /nfs/dbraw/zinc/53/90/89/1358539089.db2.gz LOTBKSAICUXWBP-UHFFFAOYSA-N -1 1 339.355 2.449 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC001388953404 1387833531 /nfs/dbraw/zinc/83/35/31/1387833531.db2.gz KVOJJDDTMDEVSU-OAHLLOKOSA-N -1 1 341.411 2.280 20 0 EEADMM CCOC(=O)n1nc2c(c1[N-]c1nnccc1Cl)CNC2(C)C ZINC001170754529 1367765823 /nfs/dbraw/zinc/76/58/23/1367765823.db2.gz QDUGCZSJLGLXEN-UHFFFAOYSA-N -1 1 336.783 2.413 20 0 EEADMM CC(=O)Nc1nc(C)c(C(=O)[N-]c2nnc(-c3ccco3)o2)s1 ZINC001189876444 1368382061 /nfs/dbraw/zinc/38/20/61/1368382061.db2.gz POBZBFSIVCYDNJ-UHFFFAOYSA-N -1 1 333.329 2.305 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)Nc1cc2ccc([O-])cc2oc1=O)C(=O)OC ZINC001190131291 1368396048 /nfs/dbraw/zinc/39/60/48/1368396048.db2.gz IRKWZIPXMOVYPS-XPTSAGLGSA-N -1 1 348.355 2.208 20 0 EEADMM CCOC(=O)[C@H](CCSC)NC(=O)Nc1ccc([O-])c(F)c1F ZINC001193228002 1368452979 /nfs/dbraw/zinc/45/29/79/1368452979.db2.gz WRPSGEOXZZZQOX-VIFPVBQESA-N -1 1 348.371 2.477 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001487779979 1368720036 /nfs/dbraw/zinc/72/00/36/1368720036.db2.gz ARCHVBNBIUNYRN-NSHDSACASA-N -1 1 348.447 2.073 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@@H](CO)C1)c1cc(Cl)c(Cl)cc1F ZINC001201276295 1368802229 /nfs/dbraw/zinc/80/22/29/1368802229.db2.gz LREBPTWQFGDUAE-KNVOCYPGSA-N -1 1 328.192 2.182 20 0 EEADMM CC1(CCC(=O)N[C@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001488309026 1368968827 /nfs/dbraw/zinc/96/88/27/1368968827.db2.gz FEPZNNNHXMJNTM-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1CCN(C(=O)N[C@@H]2CC=CCC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853764126 1369375740 /nfs/dbraw/zinc/37/57/40/1369375740.db2.gz QVFBNZVALRPIRQ-UTUOFQBUSA-N -1 1 333.354 2.194 20 0 EEADMM CCCCC1(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001071261248 1370450801 /nfs/dbraw/zinc/45/08/01/1370450801.db2.gz QQCYSXDXTIPUMS-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)c1cncs1 ZINC000797255811 1371521396 /nfs/dbraw/zinc/52/13/96/1371521396.db2.gz XXBKGOGBDZFBJZ-UHFFFAOYSA-N -1 1 342.380 2.409 20 0 EEADMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1sccc1Cl ZINC000830782474 1372348946 /nfs/dbraw/zinc/34/89/46/1372348946.db2.gz LEGURDFQTMQAJN-LLVKDONJSA-N -1 1 325.839 2.412 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000830794702 1372350089 /nfs/dbraw/zinc/35/00/89/1372350089.db2.gz AGLLTMPARSYAGL-OAHLLOKOSA-N -1 1 343.349 2.177 20 0 EEADMM CCc1ccc(F)cc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831113893 1372363602 /nfs/dbraw/zinc/36/36/02/1372363602.db2.gz YYSJKEGPNOSGAO-UHFFFAOYSA-N -1 1 332.297 2.139 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000838446514 1372847908 /nfs/dbraw/zinc/84/79/08/1372847908.db2.gz CRXYXRJCBPATEQ-FZZIBODNSA-N -1 1 328.320 2.157 20 0 EEADMM Cc1ccc(Br)c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC001361627495 1373319332 /nfs/dbraw/zinc/31/93/32/1373319332.db2.gz DEQHJVXJOLNBJB-UHFFFAOYSA-N -1 1 346.188 2.060 20 0 EEADMM COc1ccc(NC(=O)c2cnc(SC)[n-]c2=O)cc1NC(C)=O ZINC001361777934 1373336423 /nfs/dbraw/zinc/33/64/23/1373336423.db2.gz XZALGJRLHXBMCI-UHFFFAOYSA-N -1 1 348.384 2.123 20 0 EEADMM CCNC(=O)NCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001362344376 1373395120 /nfs/dbraw/zinc/39/51/20/1373395120.db2.gz GOIPDYVVZBNDQO-UHFFFAOYSA-N -1 1 329.356 2.169 20 0 EEADMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001362874762 1373466262 /nfs/dbraw/zinc/46/62/62/1373466262.db2.gz RWJAMFWJPFDLRL-CYBMUJFWSA-N -1 1 336.750 2.011 20 0 EEADMM COC(=O)[C@H](CNC(=O)c1ncc2ccccc2c1[O-])CC1CC1 ZINC001363210894 1373493636 /nfs/dbraw/zinc/49/36/36/1373493636.db2.gz VDNKOERDNUHCOI-ZDUSSCGKSA-N -1 1 328.368 2.260 20 0 EEADMM COC(=O)C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccncc1 ZINC001363462283 1373520981 /nfs/dbraw/zinc/52/09/81/1373520981.db2.gz BKBMOPMUEGVTCX-AWEZNQCLSA-N -1 1 348.786 2.404 20 0 EEADMM CCOC(=O)c1nnc(NC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC001364060662 1373578319 /nfs/dbraw/zinc/57/83/19/1373578319.db2.gz PUXPYDQYQQRYBA-UHFFFAOYSA-N -1 1 341.776 2.255 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccco1 ZINC001370060954 1374776900 /nfs/dbraw/zinc/77/69/00/1374776900.db2.gz BAQQRTCIEVQVQM-ZDUSSCGKSA-N -1 1 345.399 2.028 20 0 EEADMM C[C@@H](C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001375358500 1377654206 /nfs/dbraw/zinc/65/42/06/1377654206.db2.gz JJBQNGXDNLDVLZ-BUXKBTBVSA-N -1 1 347.459 2.484 20 0 EEADMM CCCCC(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001379240544 1380647959 /nfs/dbraw/zinc/64/79/59/1380647959.db2.gz ANOSKTXRIXMXHC-SFHVURJKSA-N -1 1 331.416 2.042 20 0 EEADMM CCc1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])s1 ZINC001381965689 1381887506 /nfs/dbraw/zinc/88/75/06/1381887506.db2.gz YPNKAVLNHDEESA-LLVKDONJSA-N -1 1 347.440 2.302 20 0 EEADMM CCC1(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001384086355 1382790606 /nfs/dbraw/zinc/79/06/06/1382790606.db2.gz DNOLPTOCGBZLLR-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001386243248 1386029720 /nfs/dbraw/zinc/02/97/20/1386029720.db2.gz RSUVJWGZBADANO-NSHDSACASA-N -1 1 347.802 2.297 20 0 EEADMM Cc1ccc([C@H](C)C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])o1 ZINC001387439435 1386735146 /nfs/dbraw/zinc/73/51/46/1386735146.db2.gz AECDUOHCFRGECM-YPMHNXCESA-N -1 1 345.399 2.117 20 0 EEADMM Cc1sccc1CC(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001387459581 1386750571 /nfs/dbraw/zinc/75/05/71/1386750571.db2.gz JWPOCMYEYQPBNZ-LLVKDONJSA-N -1 1 347.440 2.024 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001391241732 1389161906 /nfs/dbraw/zinc/16/19/06/1389161906.db2.gz IYQGKHUZXZXGKA-KBPBESRZSA-N -1 1 347.459 2.486 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001395845599 1390863738 /nfs/dbraw/zinc/86/37/38/1390863738.db2.gz MFAYSSUFDIVJOG-STQMWFEESA-N -1 1 333.432 2.189 20 0 EEADMM CCc1[nH]ccc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001396267892 1390931334 /nfs/dbraw/zinc/93/13/34/1390931334.db2.gz YUVZNXMAIBQYIN-NWDGAFQWSA-N -1 1 344.415 2.005 20 0 EEADMM O=C(CCCF)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001399508304 1395178482 /nfs/dbraw/zinc/17/84/82/1395178482.db2.gz GCSCNQJSFXAWOU-CYBMUJFWSA-N -1 1 337.395 2.038 20 0 EEADMM CC(C)c1noc([C@H](C)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001423064712 1400394219 /nfs/dbraw/zinc/39/42/19/1400394219.db2.gz YTOKESJEHWCSLI-NEPJUHHUSA-N -1 1 347.419 2.105 20 0 EEADMM Cc1nc(CN(C)[C@@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001425054785 1401417789 /nfs/dbraw/zinc/41/77/89/1401417789.db2.gz YESWTCYQBRPUTE-JTQLQIEISA-N -1 1 334.445 2.111 20 0 EEADMM C[C@H](CN(C)C(=O)C1(C)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001425226695 1401515505 /nfs/dbraw/zinc/51/55/05/1401515505.db2.gz GVPPFRNPTRKNBV-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001426390105 1402061841 /nfs/dbraw/zinc/06/18/41/1402061841.db2.gz KPRZSHJXEBZGGU-SNVBAGLBSA-N -1 1 343.374 2.045 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC001428055520 1402600831 /nfs/dbraw/zinc/60/08/31/1402600831.db2.gz FJCBEYDXAPYIGU-QWHCGFSZSA-N -1 1 333.432 2.333 20 0 EEADMM CC[C@H](CNC(=O)C1CCCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576789082 1403603770 /nfs/dbraw/zinc/60/37/70/1403603770.db2.gz FPMKBTHGKBNUKS-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CCCCC(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577426822 1403651873 /nfs/dbraw/zinc/65/18/73/1403651873.db2.gz STVANELQMLFFNH-XYPYZODXSA-N -1 1 349.464 2.129 20 0 EEADMM CCOC(=O)c1cnn(C[C@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC001578254184 1403727494 /nfs/dbraw/zinc/72/74/94/1403727494.db2.gz CLFIAGWMTJYYMM-HTAVTVPLSA-N -1 1 330.392 2.066 20 0 EEADMM CN(CCOc1ccccc1F)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001579230064 1403779357 /nfs/dbraw/zinc/77/93/57/1403779357.db2.gz SBLSZCFGYGWWDE-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM CN(CCOc1ccccc1F)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001579230064 1403779361 /nfs/dbraw/zinc/77/93/61/1403779361.db2.gz SBLSZCFGYGWWDE-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM COc1ncc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001580136669 1403834038 /nfs/dbraw/zinc/83/40/38/1403834038.db2.gz RKLWCHWKZRHJOT-UWVGGRQHSA-N -1 1 345.407 2.217 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCC(C)(C)C(=O)OC(C)(C)C)n1 ZINC001591895672 1403969352 /nfs/dbraw/zinc/96/93/52/1403969352.db2.gz BFZLQYDSOBSVIP-UHFFFAOYSA-N -1 1 347.423 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCC(C)(C)C(=O)OC(C)(C)C)n1 ZINC001591895672 1403969354 /nfs/dbraw/zinc/96/93/54/1403969354.db2.gz BFZLQYDSOBSVIP-UHFFFAOYSA-N -1 1 347.423 2.135 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)COCC2CCCCC2)n1 ZINC001591891218 1403970384 /nfs/dbraw/zinc/97/03/84/1403970384.db2.gz OMQGBRHNLYBVDD-GFCCVEGCSA-N -1 1 331.424 2.362 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)COCC2CCCCC2)n1 ZINC001591891218 1403970388 /nfs/dbraw/zinc/97/03/88/1403970388.db2.gz OMQGBRHNLYBVDD-GFCCVEGCSA-N -1 1 331.424 2.362 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC001591895787 1403970682 /nfs/dbraw/zinc/97/06/82/1403970682.db2.gz DKQDXJJZJDIGCK-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC001591895787 1403970687 /nfs/dbraw/zinc/97/06/87/1403970687.db2.gz DKQDXJJZJDIGCK-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001592006580 1403983234 /nfs/dbraw/zinc/98/32/34/1403983234.db2.gz UPJBDJKQMJNORI-LBPRGKRZSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001592006580 1403983244 /nfs/dbraw/zinc/98/32/44/1403983244.db2.gz UPJBDJKQMJNORI-LBPRGKRZSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cc(O)cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001592056099 1403991226 /nfs/dbraw/zinc/99/12/26/1403991226.db2.gz KMXNMVXURLDMGJ-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1cc(O)cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001592056099 1403991229 /nfs/dbraw/zinc/99/12/29/1403991229.db2.gz KMXNMVXURLDMGJ-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c(C)c1 ZINC001592120239 1403997369 /nfs/dbraw/zinc/99/73/69/1403997369.db2.gz NWZLRIBUPKDCSL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c(C)c1 ZINC001592120239 1403997378 /nfs/dbraw/zinc/99/73/78/1403997378.db2.gz NWZLRIBUPKDCSL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(F)c1Cl ZINC001592128565 1403999691 /nfs/dbraw/zinc/99/96/91/1403999691.db2.gz LRUPEYZYSSESOV-UHFFFAOYSA-N -1 1 346.753 2.293 20 0 EEADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(F)c1Cl ZINC001592128565 1403999697 /nfs/dbraw/zinc/99/96/97/1403999697.db2.gz LRUPEYZYSSESOV-UHFFFAOYSA-N -1 1 346.753 2.293 20 0 EEADMM CCOc1cccc([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001605702875 1404750582 /nfs/dbraw/zinc/75/05/82/1404750582.db2.gz XARYGLYDNVVADL-CYBMUJFWSA-N -1 1 334.416 2.059 20 0 EEADMM Cc1nc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1 ZINC001606076289 1404763443 /nfs/dbraw/zinc/76/34/43/1404763443.db2.gz BUJWYTXYLMXMQB-LBPRGKRZSA-N -1 1 347.423 2.133 20 0 EEADMM Cc1nc(N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1 ZINC001606076289 1404763447 /nfs/dbraw/zinc/76/34/47/1404763447.db2.gz BUJWYTXYLMXMQB-LBPRGKRZSA-N -1 1 347.423 2.133 20 0 EEADMM CN(CCc1nccc(C(F)(F)F)n1)Cc1cc(C(=O)[O-])co1 ZINC001606140910 1404766619 /nfs/dbraw/zinc/76/66/19/1404766619.db2.gz DCKBSGBMIMHMBE-UHFFFAOYSA-N -1 1 329.278 2.461 20 0 EEADMM Clc1ccc2c(ccn2CCOc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001606192830 1404776039 /nfs/dbraw/zinc/77/60/39/1404776039.db2.gz HDYJGIYZOMSPRB-UHFFFAOYSA-N -1 1 341.762 2.344 20 0 EEADMM FC(F)(F)c1cccc2c1CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001606293195 1404779568 /nfs/dbraw/zinc/77/95/68/1404779568.db2.gz ISRZFOHXRVDDLF-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM Fc1ccc(CN(CC2CC2)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001606319326 1404792025 /nfs/dbraw/zinc/79/20/25/1404792025.db2.gz UAEVYPLOLNVCPQ-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM Fc1ccc(CN(CC2CC2)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001606319326 1404792031 /nfs/dbraw/zinc/79/20/31/1404792031.db2.gz UAEVYPLOLNVCPQ-UHFFFAOYSA-N -1 1 325.351 2.212 20 0 EEADMM CNC(=O)CCOc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000163241705 1405699898 /nfs/dbraw/zinc/69/98/98/1405699898.db2.gz HIARTYRAPFROGZ-UHFFFAOYSA-N -1 1 332.331 2.299 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C=C1CCCCC1 ZINC001757279520 1409614113 /nfs/dbraw/zinc/61/41/13/1409614113.db2.gz WCGLJVJDDGSPQQ-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1CC1CC1 ZINC001771829036 1409960609 /nfs/dbraw/zinc/96/06/09/1409960609.db2.gz PVMCMUGGVNAKJL-CYBMUJFWSA-N -1 1 347.459 2.136 20 0 EEADMM CC(C)N(CC(=O)[O-])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001771917589 1409978829 /nfs/dbraw/zinc/97/88/29/1409978829.db2.gz FZKHXQJPEUDZFW-CQSZACIVSA-N -1 1 348.447 2.112 20 0 EEADMM CCC[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC(C)C)C1 ZINC001772330474 1410134515 /nfs/dbraw/zinc/13/45/15/1410134515.db2.gz HWEQZGNFEFFYIW-CYBMUJFWSA-N -1 1 332.456 2.055 20 0 EEADMM CCC[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)C1 ZINC001772330474 1410134518 /nfs/dbraw/zinc/13/45/18/1410134518.db2.gz HWEQZGNFEFFYIW-CYBMUJFWSA-N -1 1 332.456 2.055 20 0 EEADMM CSc1nc(CNC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc(=O)[n-]1 ZINC001143613566 782410691 /nfs/dbraw/zinc/41/06/91/782410691.db2.gz SRVGBCZSVCCWAK-UHFFFAOYSA-N -1 1 345.384 2.126 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)sc1C ZINC000942468621 782513468 /nfs/dbraw/zinc/51/34/68/782513468.db2.gz WCVYCTFWAAUCME-GFCCVEGCSA-N -1 1 345.424 2.110 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ccc(C)cn2)n[n-]1 ZINC000846642587 790301784 /nfs/dbraw/zinc/30/17/84/790301784.db2.gz KNMRJXFKJBPAGM-CYBMUJFWSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ccc(C)cn2)[n-]1 ZINC000846642587 790301788 /nfs/dbraw/zinc/30/17/88/790301788.db2.gz KNMRJXFKJBPAGM-CYBMUJFWSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ccc(C)cn2)n1 ZINC000846642587 790301793 /nfs/dbraw/zinc/30/17/93/790301793.db2.gz KNMRJXFKJBPAGM-CYBMUJFWSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cccnc2F)n[n-]1 ZINC000846644508 790304739 /nfs/dbraw/zinc/30/47/39/790304739.db2.gz ZDSUSMWFQXGKMQ-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cccnc2F)[n-]1 ZINC000846644508 790304744 /nfs/dbraw/zinc/30/47/44/790304744.db2.gz ZDSUSMWFQXGKMQ-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cccnc2F)n1 ZINC000846644508 790304749 /nfs/dbraw/zinc/30/47/49/790304749.db2.gz ZDSUSMWFQXGKMQ-LLVKDONJSA-N -1 1 349.366 2.033 20 0 EEADMM CC(C)c1cc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])ncn1 ZINC001104535850 761707173 /nfs/dbraw/zinc/70/71/73/761707173.db2.gz BDFNZZMEHPVNTF-LBPRGKRZSA-N -1 1 329.404 2.273 20 0 EEADMM Cc1cc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])ncn1 ZINC001104935663 765606910 /nfs/dbraw/zinc/60/69/10/765606910.db2.gz UNDRNQFIVVCBKW-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM CCOC(=O)C(C)(C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840391514 782608017 /nfs/dbraw/zinc/60/80/17/782608017.db2.gz KLLNLEFCHNXVOQ-UHFFFAOYSA-N -1 1 334.324 2.131 20 0 EEADMM CCCc1nsc(NC2(CNC(=O)c3ncccc3[O-])CCC2)n1 ZINC001111788703 768851782 /nfs/dbraw/zinc/85/17/82/768851782.db2.gz VZQJWJLRGZDIEE-UHFFFAOYSA-N -1 1 347.444 2.356 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CC1 ZINC001089464167 769532786 /nfs/dbraw/zinc/53/27/86/769532786.db2.gz FXMNKLHKKYWJDF-CYBMUJFWSA-N -1 1 349.479 2.053 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@H]1CCCO1 ZINC000919559003 770030204 /nfs/dbraw/zinc/03/02/04/770030204.db2.gz DCOASORBXAYPOT-GFCCVEGCSA-N -1 1 327.402 2.174 20 0 EEADMM CCN(c1cc(Cl)nc(C)n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001089637279 773640158 /nfs/dbraw/zinc/64/01/58/773640158.db2.gz PNNDCMDGJACPGA-SNVBAGLBSA-N -1 1 349.822 2.184 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccc(Cl)cc1 ZINC000938728205 774515308 /nfs/dbraw/zinc/51/53/08/774515308.db2.gz GJBILNVWFUKELS-ZDUSSCGKSA-N -1 1 345.786 2.085 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000938747771 774566798 /nfs/dbraw/zinc/56/67/98/774566798.db2.gz JBOCFCIKRLIWFU-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1ccsc1C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088251818 783212878 /nfs/dbraw/zinc/21/28/78/783212878.db2.gz BIUGWHJZOUUXAK-LBPRGKRZSA-N -1 1 349.460 2.055 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC000980815171 775702168 /nfs/dbraw/zinc/70/21/68/775702168.db2.gz WNGAUCQTOVDOCF-DZGCQCFKSA-N -1 1 339.395 2.116 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000980832281 775752993 /nfs/dbraw/zinc/75/29/93/775752993.db2.gz JWXQACYRSJSVKI-NWDGAFQWSA-N -1 1 345.424 2.177 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060359505 790454487 /nfs/dbraw/zinc/45/44/87/790454487.db2.gz MXPAOWGVSXPGIU-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)OC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069198947 776982282 /nfs/dbraw/zinc/98/22/82/776982282.db2.gz QNWFJSBOAYKTLE-UHFFFAOYSA-N -1 1 326.201 2.223 20 0 EEADMM Cc1ccnc(NCC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063272368 790537161 /nfs/dbraw/zinc/53/71/61/790537161.db2.gz OOGPJZJMYCRTFE-AWEZNQCLSA-N -1 1 341.415 2.240 20 0 EEADMM COC(=O)C1(NCc2cc(=O)oc3cc([O-])ccc23)CCCCC1 ZINC000182318550 778724455 /nfs/dbraw/zinc/72/44/55/778724455.db2.gz MYOBKDPOKNQGKQ-UHFFFAOYSA-N -1 1 331.368 2.464 20 0 EEADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063320551 790697429 /nfs/dbraw/zinc/69/74/29/790697429.db2.gz HDHSREDHGFWATC-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832271 779378041 /nfs/dbraw/zinc/37/80/41/779378041.db2.gz BAJCOJBADCBPET-LSDHHAIUSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC[C@@H]2CCCC2(F)F)c1[O-] ZINC001038164283 779746500 /nfs/dbraw/zinc/74/65/00/779746500.db2.gz IEAFCCUCYMVFAW-RYUDHWBXSA-N -1 1 342.390 2.053 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2COC(=O)C2)c1 ZINC000182918807 780034980 /nfs/dbraw/zinc/03/49/80/780034980.db2.gz ASCSIMBCSSDRPK-QMMMGPOBSA-N -1 1 328.162 2.355 20 0 EEADMM CCC[C@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000182943673 780054279 /nfs/dbraw/zinc/05/42/79/780054279.db2.gz YKUZWDVACBFTJZ-JQWIXIFHSA-N -1 1 340.807 2.402 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N=S1(=O)CCCC1 ZINC000925927038 780315758 /nfs/dbraw/zinc/31/57/58/780315758.db2.gz XEGNKGVTOQNHSZ-UHFFFAOYSA-N -1 1 344.458 2.240 20 0 EEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CC[C@H](SC)C2)c(=O)[n-]1 ZINC000080850531 781041639 /nfs/dbraw/zinc/04/16/39/781041639.db2.gz CJBBGTVHKZGERS-QWRGUYRKSA-N -1 1 341.502 2.133 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1Cl ZINC000809808607 783377364 /nfs/dbraw/zinc/37/73/64/783377364.db2.gz ANCICRGNUZETFU-MRVPVSSYSA-N -1 1 329.809 2.128 20 0 EEADMM C[C@@]1(C(=O)N2CCCCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC=CCC1 ZINC001088321294 783497445 /nfs/dbraw/zinc/49/74/45/783497445.db2.gz ZWQFJDBUAFFEJV-RDTXWAMCSA-N -1 1 347.463 2.118 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc2c1CCOC2 ZINC000905946379 783603648 /nfs/dbraw/zinc/60/36/48/783603648.db2.gz AZPXKRGMXNPBEK-UHFFFAOYSA-N -1 1 325.368 2.386 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(Cl)n(C)nc2C(C)C)n1 ZINC000816536277 784106873 /nfs/dbraw/zinc/10/68/73/784106873.db2.gz QJDOCMGBNRZOCM-UHFFFAOYSA-N -1 1 339.783 2.349 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)o1 ZINC000907473004 784641109 /nfs/dbraw/zinc/64/11/09/784641109.db2.gz AZPXLFCDQZTOSS-KGYLQXTDSA-N -1 1 347.444 2.165 20 0 EEADMM Cc1cccc2cc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)oc21 ZINC000907473938 784642479 /nfs/dbraw/zinc/64/24/79/784642479.db2.gz IIYBZUYQSNSEHP-LLVKDONJSA-N -1 1 329.385 2.185 20 0 EEADMM CC[C@H](CS(=O)(=O)[N-]c1ncc(Br)cc1F)OC ZINC000817391807 784747437 /nfs/dbraw/zinc/74/74/37/784747437.db2.gz SAHSCLWVXXIJDD-MRVPVSSYSA-N -1 1 341.202 2.150 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CC=CC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945746786 784760266 /nfs/dbraw/zinc/76/02/66/784760266.db2.gz IABWCTKJASPBBI-DZGCQCFKSA-N -1 1 343.427 2.110 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945758387 784833282 /nfs/dbraw/zinc/83/32/82/784833282.db2.gz XFSCJCWFRLMZQS-CHWSQXEVSA-N -1 1 349.406 2.408 20 0 EEADMM CC(C)CN1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907789724 784867439 /nfs/dbraw/zinc/86/74/39/784867439.db2.gz JCNSYVPGJVNXDS-VQIMIIECSA-N -1 1 330.428 2.045 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000945932806 785147126 /nfs/dbraw/zinc/14/71/26/785147126.db2.gz UJNZDIVPXVBHAJ-STQMWFEESA-N -1 1 347.390 2.114 20 0 EEADMM C[C@]1(CNC(=O)c2cnc(C3CC3)[n-]c2=O)OCCc2sccc21 ZINC000908284918 785298262 /nfs/dbraw/zinc/29/82/62/785298262.db2.gz CDQPLLPWDKQUBT-QGZVFWFLSA-N -1 1 345.424 2.339 20 0 EEADMM Cc1occc1C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946118658 785606019 /nfs/dbraw/zinc/60/60/19/785606019.db2.gz WVPSIKCXUUHNTF-JSGCOSHPSA-N -1 1 343.383 2.017 20 0 EEADMM CCOC(=O)C1(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908712216 785664667 /nfs/dbraw/zinc/66/46/67/785664667.db2.gz DVIRHDSDOMNZRJ-UHFFFAOYSA-N -1 1 328.162 2.437 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000908713466 785665280 /nfs/dbraw/zinc/66/52/80/785665280.db2.gz VHDMJLVRASUANL-JTQLQIEISA-N -1 1 328.315 2.023 20 0 EEADMM Cc1ccc(C(=O)NCC2CC(NC(=O)c3ncccc3[O-])C2)s1 ZINC000991866394 791139574 /nfs/dbraw/zinc/13/95/74/791139574.db2.gz GHXDGGDQTLPTDO-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM CCN(Cc1c(F)cccc1F)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908770799 785715156 /nfs/dbraw/zinc/71/51/56/785715156.db2.gz IIHKEAWNRWRGEX-GFCCVEGCSA-N -1 1 340.370 2.110 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2CCC[C@@H](OC)C2)c1 ZINC000819959227 785721343 /nfs/dbraw/zinc/72/13/43/785721343.db2.gz BRVFRAQISNQYQF-UZRORNOBSA-N -1 1 326.414 2.304 20 0 EEADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)N(C)C ZINC000908871338 785785940 /nfs/dbraw/zinc/78/59/40/785785940.db2.gz QINVGHMUKVLHBF-SKDRFNHKSA-N -1 1 343.221 2.031 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])[nH]c2c1 ZINC000909010766 785910390 /nfs/dbraw/zinc/91/03/90/785910390.db2.gz WIKNWMYVZGYKCJ-FZMZJTMJSA-N -1 1 330.388 2.266 20 0 EEADMM CN(C)[C@H](CNC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000909123048 786006397 /nfs/dbraw/zinc/00/63/97/786006397.db2.gz UGHVFYAJWISIQL-CYBMUJFWSA-N -1 1 341.839 2.447 20 0 EEADMM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000909226879 786110046 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CC(C)[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC000820781455 786470800 /nfs/dbraw/zinc/47/08/00/786470800.db2.gz VVUVPWKGMPKYJY-AWEZNQCLSA-N -1 1 330.475 2.480 20 0 EEADMM Cc1ccc2nc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)ccc2c1 ZINC000910174720 786496153 /nfs/dbraw/zinc/49/61/53/786496153.db2.gz WBNYPPDDRWIRLH-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C ZINC000910256148 786586051 /nfs/dbraw/zinc/58/60/51/786586051.db2.gz TWOCRNJYWLBRLJ-QMMMGPOBSA-N -1 1 329.194 2.344 20 0 EEADMM C[C@@H]1CCCN(C(=O)CC2(C)CCCC2)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036546274 786633988 /nfs/dbraw/zinc/63/39/88/786633988.db2.gz IGEHWRFKNNUOHL-ZIAGYGMSSA-N -1 1 349.479 2.197 20 0 EEADMM CN(CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C1CCC1 ZINC000910315812 786645793 /nfs/dbraw/zinc/64/57/93/786645793.db2.gz RXXPBPPUOMYQNT-QGZVFWFLSA-N -1 1 338.835 2.326 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCCN(c3ccncc3C(F)(F)F)C2)nn1 ZINC000910317313 786647675 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CCC1(C(=O)N2C[C@@H](NCc3n[nH]c(=O)[n-]3)C(C)(C)C2)CCCCC1 ZINC000996654763 786988606 /nfs/dbraw/zinc/98/86/06/786988606.db2.gz YEHCTVDQIJQWPC-CYBMUJFWSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)[N-]OCc1ccccn1)C2 ZINC000822242945 787087592 /nfs/dbraw/zinc/08/75/92/787087592.db2.gz DLFJWGPTPKEAMZ-ILXRZTDVSA-N -1 1 347.415 2.417 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000911158195 787278056 /nfs/dbraw/zinc/27/80/56/787278056.db2.gz MKHKMEXJEQBVAJ-NSHDSACASA-N -1 1 336.310 2.257 20 0 EEADMM Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)oc1C(=O)[O-] ZINC000911192416 787291555 /nfs/dbraw/zinc/29/15/55/787291555.db2.gz DMOIWMCNTCEQSA-CYBMUJFWSA-N -1 1 334.347 2.458 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(Cl)c2F)co1 ZINC000786305966 787423201 /nfs/dbraw/zinc/42/32/01/787423201.db2.gz JCMXETVFSZOPIJ-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM O=C(CCC(=O)c1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822950317 787481224 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CSCC[C@H](NC(=O)c1c(C)cccc1Cl)c1nn[n-]n1 ZINC000912863501 788427072 /nfs/dbraw/zinc/42/70/72/788427072.db2.gz ZVRRSFSDNZWDOC-JTQLQIEISA-N -1 1 325.825 2.386 20 0 EEADMM CCCC(=O)N[C@@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001077700597 788493049 /nfs/dbraw/zinc/49/30/49/788493049.db2.gz LXFXCMKGADJAOF-NSHDSACASA-N -1 1 336.436 2.039 20 0 EEADMM Cc1nc[nH]c1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000825209216 788502738 /nfs/dbraw/zinc/50/27/38/788502738.db2.gz WAKFTMAJHDDGKI-UHFFFAOYSA-N -1 1 334.807 2.035 20 0 EEADMM O=C([N-][C@@]1(CO)CCOC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843855034 788693086 /nfs/dbraw/zinc/69/30/86/788693086.db2.gz UMKCMILAUOCHRP-GFCCVEGCSA-N -1 1 340.153 2.353 20 0 EEADMM N#Cc1ccc(OCC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC000156389142 789089401 /nfs/dbraw/zinc/08/94/01/789089401.db2.gz UAMWCDKHHKJCIY-UHFFFAOYSA-N -1 1 348.156 2.439 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccc(F)cc2)sn1 ZINC000866973573 789220108 /nfs/dbraw/zinc/22/01/08/789220108.db2.gz 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C[C@H]1CN(Cc2cn(C)nc2C(=O)[O-])CC[C@@H](c2ccccc2)O1 ZINC001551405456 1124419553 /nfs/dbraw/zinc/41/95/53/1124419553.db2.gz TXMXSTUFIIZEFZ-BBRMVZONSA-N -1 1 329.400 2.470 20 0 EEADMM O=C(N1CC[C@@H](c2nn[n-]n2)C1)C1(Cc2cccc(Cl)c2)CC1 ZINC001548763384 1124486691 /nfs/dbraw/zinc/48/66/91/1124486691.db2.gz XXXAKQHSJQWJLQ-GFCCVEGCSA-N -1 1 331.807 2.192 20 0 EEADMM O=C(c1occc1-c1ccc(F)cc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548763867 1124486773 /nfs/dbraw/zinc/48/67/73/1124486773.db2.gz LKBQECNCDRBYCP-LLVKDONJSA-N -1 1 327.319 2.229 20 0 EEADMM Cc1cc(OCC(=O)N2CC[C@H](c3nn[n-]n3)C2)ccc1C(C)C ZINC001548765414 1124489147 /nfs/dbraw/zinc/48/91/47/1124489147.db2.gz IVDQTQFDWPHBDT-ZDUSSCGKSA-N -1 1 329.404 2.026 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3C[C@H]4[C@@H](C3)C3CCC4CC3)ccnc1-2 ZINC001552502119 1124996604 /nfs/dbraw/zinc/99/66/04/1124996604.db2.gz QONHWSVLOGMKEN-VWSDQGQDSA-N -1 1 325.416 2.242 20 0 EEADMM CCCc1cc(=O)[n-]c(SCc2nnnn2Cc2ccccc2)n1 ZINC000011220204 539327936 /nfs/dbraw/zinc/32/79/36/539327936.db2.gz DKPGKDDHUIXFBM-UHFFFAOYSA-N -1 1 342.428 2.462 20 0 EEADMM Cc1nnc([N-][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)o1 ZINC000287407069 539726396 /nfs/dbraw/zinc/72/63/96/539726396.db2.gz SNAHJAKNSGIKPV-LLVKDONJSA-N -1 1 342.277 2.494 20 0 EEADMM O=C([O-])C1CCC(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000194391487 304037251 /nfs/dbraw/zinc/03/72/51/304037251.db2.gz FMOXCAKRTCYDKT-UHFFFAOYSA-N -1 1 330.428 2.052 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cccc2c3c([nH]c21)CCCC3)c1nn[n-]n1 ZINC000183395076 235046655 /nfs/dbraw/zinc/04/66/55/235046655.db2.gz SHJZDDWLTASDAM-NSHDSACASA-N -1 1 338.415 2.436 20 0 EEADMM O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(O)cc1[O-] ZINC000193444572 237393187 /nfs/dbraw/zinc/39/31/87/237393187.db2.gz WOZQWQBGGNRGSD-UHFFFAOYSA-N -1 1 328.368 2.311 20 0 EEADMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1 ZINC000029046325 201064455 /nfs/dbraw/zinc/06/44/55/201064455.db2.gz XABXJZDGBDWOBV-UHFFFAOYSA-N -1 1 334.397 2.375 20 0 EEADMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000041231824 201091173 /nfs/dbraw/zinc/09/11/73/201091173.db2.gz QZSKZRHYQAJSQY-UHFFFAOYSA-N -1 1 332.381 2.381 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055567320 201134457 /nfs/dbraw/zinc/13/44/57/201134457.db2.gz PLJCLKORFPKFNS-UHFFFAOYSA-N -1 1 334.397 2.164 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](C)CC1 ZINC000068820317 201165006 /nfs/dbraw/zinc/16/50/06/201165006.db2.gz GINJHNKWQVVBKE-CYBMUJFWSA-N -1 1 340.427 2.331 20 0 EEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC)c1ccccc1 ZINC000269686530 201233106 /nfs/dbraw/zinc/23/31/06/201233106.db2.gz VGEHMUZIPWGCKA-CYBMUJFWSA-N -1 1 337.401 2.016 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000416148169 239081786 /nfs/dbraw/zinc/08/17/86/239081786.db2.gz YXXIUFULZGWJGJ-ZDUSSCGKSA-N -1 1 341.367 2.189 20 0 EEADMM O=C([C@H]1CCN(c2ccccc2)C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425323603 241123855 /nfs/dbraw/zinc/12/38/55/241123855.db2.gz PKONPKGJECSKNS-AWEZNQCLSA-N -1 1 342.399 2.008 20 0 EEADMM O=C(NCC1(c2ccccc2)CCOCC1)C(=O)c1ccc([O-])cc1 ZINC000438768187 242047844 /nfs/dbraw/zinc/04/78/44/242047844.db2.gz YJSVWPFTHZJYNU-UHFFFAOYSA-N -1 1 339.391 2.440 20 0 EEADMM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)cnc2c1Cl ZINC000451074317 242990065 /nfs/dbraw/zinc/99/00/65/242990065.db2.gz VZYHODBWWXLDJS-SSDOTTSWSA-N -1 1 338.767 2.013 20 0 EEADMM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)OC ZINC000451670530 243198328 /nfs/dbraw/zinc/19/83/28/243198328.db2.gz DEGPGMOZHJOMPM-WCBMZHEXSA-N -1 1 325.352 2.443 20 0 EEADMM CC(C)c1nc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)n[nH]1 ZINC000451681864 243203640 /nfs/dbraw/zinc/20/36/40/243203640.db2.gz ZOADFKFMMQHYCK-UHFFFAOYSA-N -1 1 346.815 2.340 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1 ZINC000070825444 203081951 /nfs/dbraw/zinc/08/19/51/203081951.db2.gz IGKBJGYUXWMXSM-UHFFFAOYSA-N -1 1 334.397 2.340 20 0 EEADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000262783334 245176420 /nfs/dbraw/zinc/17/64/20/245176420.db2.gz CJGQKKCOSUSQDT-AAEUAGOBSA-N -1 1 344.814 2.257 20 0 EEADMM COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Br)cc1[O-] ZINC000044489982 204303081 /nfs/dbraw/zinc/30/30/81/204303081.db2.gz MEBRKYKTKHFREI-NSHDSACASA-N -1 1 344.205 2.472 20 0 EEADMM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(C)s2)c1 ZINC000112000540 204379517 /nfs/dbraw/zinc/37/95/17/204379517.db2.gz KPLHLFVKXAKUIW-UHFFFAOYSA-N -1 1 329.378 2.032 20 0 EEADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000131579564 205294519 /nfs/dbraw/zinc/29/45/19/205294519.db2.gz XBDFPWNQRKDNKK-SNVBAGLBSA-N -1 1 345.783 2.438 20 0 EEADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000132500212 205329293 /nfs/dbraw/zinc/32/92/93/205329293.db2.gz DRRHEOATRSEXPP-MRVPVSSYSA-N -1 1 347.318 2.063 20 0 EEADMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000228558605 205359550 /nfs/dbraw/zinc/35/95/50/205359550.db2.gz RBUCFYISUIXKBB-JTQLQIEISA-N -1 1 325.352 2.179 20 0 EEADMM C[C@@H](c1ccc(NC(=O)c2ncccc2[O-])cc1)N1CCOCC1 ZINC000111611970 220171025 /nfs/dbraw/zinc/17/10/25/220171025.db2.gz LMKMFVBKJGGFPL-ZDUSSCGKSA-N -1 1 327.384 2.433 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000155798599 206035189 /nfs/dbraw/zinc/03/51/89/206035189.db2.gz RGRNJAALUHSOPP-VXGBXAGGSA-N -1 1 328.434 2.229 20 0 EEADMM O=S(=O)([N-][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)ccc1F ZINC000155818273 206036257 /nfs/dbraw/zinc/03/62/57/206036257.db2.gz RGSUJQBQDLZEJL-HONMWMINSA-N -1 1 329.368 2.201 20 0 EEADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)C1CC1 ZINC000264190763 246161339 /nfs/dbraw/zinc/16/13/39/246161339.db2.gz OOJOMUGGTPEJHW-MNOVXSKESA-N -1 1 328.434 2.227 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1nnn[n-]1 ZINC000496275650 247420581 /nfs/dbraw/zinc/42/05/81/247420581.db2.gz OMAPAHRNZBMDHB-NSHDSACASA-N -1 1 338.412 2.002 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)Nc1nn[n-]n1 ZINC000496275650 247420585 /nfs/dbraw/zinc/42/05/85/247420585.db2.gz OMAPAHRNZBMDHB-NSHDSACASA-N -1 1 338.412 2.002 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCS[C@H](C(C)C)C1 ZINC000176482919 207232125 /nfs/dbraw/zinc/23/21/25/207232125.db2.gz BEEJGICBJRMSNV-JTQLQIEISA-N -1 1 327.475 2.014 20 0 EEADMM CCC[C@H](NC(=O)c1ccc(Br)cc1F)c1nn[n-]n1 ZINC000176755296 207258245 /nfs/dbraw/zinc/25/82/45/207258245.db2.gz GPTGNJOHOXFPKH-JTQLQIEISA-N -1 1 342.172 2.373 20 0 EEADMM CCC[C@@H](NC(=O)c1ccc(Br)c(F)c1)c1nn[n-]n1 ZINC000176772103 207259606 /nfs/dbraw/zinc/25/96/06/207259606.db2.gz DZVKAAHLMBDPSH-SNVBAGLBSA-N -1 1 342.172 2.373 20 0 EEADMM CCC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1C)c1nn[n-]n1 ZINC000176783471 207261494 /nfs/dbraw/zinc/26/14/94/207261494.db2.gz GBCWGIXUSGYDLA-VIFPVBQESA-N -1 1 328.298 2.193 20 0 EEADMM NC(=O)NC[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000271272643 256227875 /nfs/dbraw/zinc/22/78/75/256227875.db2.gz OQZSQIQPEOONKY-LBPRGKRZSA-N -1 1 327.384 2.066 20 0 EEADMM C[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2F)CCO[C@H]1C1CC1 ZINC000273159351 256271398 /nfs/dbraw/zinc/27/13/98/256271398.db2.gz ZJJTUZOLZVUWCW-UONOGXRCSA-N -1 1 335.347 2.340 20 0 EEADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cc3cc(C)cc(C)c3)no2)co1 ZINC000273707517 256320077 /nfs/dbraw/zinc/32/00/77/256320077.db2.gz LYGFRTXNBKKXAX-UHFFFAOYSA-N -1 1 347.396 2.445 20 0 EEADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000119573589 221351638 /nfs/dbraw/zinc/35/16/38/221351638.db2.gz YBBLNOFNDHDCEQ-AWEZNQCLSA-N -1 1 326.396 2.486 20 0 EEADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[n-]cnc3n2)cc1 ZINC000353728358 292209946 /nfs/dbraw/zinc/20/99/46/292209946.db2.gz PBJZAPFCVMRBFL-HNNXBMFYSA-N -1 1 337.383 2.093 20 0 EEADMM CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666019 292224483 /nfs/dbraw/zinc/22/44/83/292224483.db2.gz XHVGPEYRIGQJFD-GORDUTHDSA-N -1 1 331.759 2.452 20 0 EEADMM O=C(C=Cc1ccc(OC(F)F)cc1OC(F)F)Nc1nnn[n-]1 ZINC000118685452 292238860 /nfs/dbraw/zinc/23/88/60/292238860.db2.gz JXKVMROSVQDTAP-DUXPYHPUSA-N -1 1 347.228 2.054 20 0 EEADMM O=C(C=Cc1ccc(OC(F)F)cc1OC(F)F)Nc1nn[n-]n1 ZINC000118685452 292238861 /nfs/dbraw/zinc/23/88/61/292238861.db2.gz JXKVMROSVQDTAP-DUXPYHPUSA-N -1 1 347.228 2.054 20 0 EEADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)CC(C)C ZINC000172726668 152110593 /nfs/dbraw/zinc/11/05/93/152110593.db2.gz GBAMPWDMYZDILM-SNVBAGLBSA-N -1 1 335.372 2.078 20 0 EEADMM C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CC[C@@H](C(=O)[O-])C1 ZINC000262622109 152297227 /nfs/dbraw/zinc/29/72/27/152297227.db2.gz FHSDDVPCQLTIEJ-VXGBXAGGSA-N -1 1 347.440 2.050 20 0 EEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000263086186 152371376 /nfs/dbraw/zinc/37/13/76/152371376.db2.gz IJZNYDLWONHDID-ZANVPECISA-N -1 1 330.331 2.315 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C(F)F)c1 ZINC000355852645 153169305 /nfs/dbraw/zinc/16/93/05/153169305.db2.gz ZSDOCRANKNRIKX-UHFFFAOYSA-N -1 1 345.327 2.243 20 0 EEADMM O=c1nc(CSc2nc(-c3cccnc3)n[nH]2)[n-]c2ccsc21 ZINC000127390127 292324563 /nfs/dbraw/zinc/32/45/63/292324563.db2.gz HSRRXDMOXPTSTJ-UHFFFAOYSA-N -1 1 342.409 2.457 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C)nn1C ZINC000128314404 292340142 /nfs/dbraw/zinc/34/01/42/292340142.db2.gz YMLHDQNVKSASIE-UHFFFAOYSA-N -1 1 336.417 2.133 20 0 EEADMM O=C(COc1ccc2ccccc2c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129366103 292357128 /nfs/dbraw/zinc/35/71/28/292357128.db2.gz LQVZBIISAFHTOG-OAHLLOKOSA-N -1 1 337.383 2.138 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)o1 ZINC000107700147 159334939 /nfs/dbraw/zinc/33/49/39/159334939.db2.gz QUUXEFAKZSRDNS-UHFFFAOYSA-N -1 1 337.397 2.470 20 0 EEADMM COC(=O)c1c[n-]c(SCC(=O)NCc2cccc(Cl)c2)n1 ZINC000187594007 160105988 /nfs/dbraw/zinc/10/59/88/160105988.db2.gz UNAYHKJDPMGXAV-UHFFFAOYSA-N -1 1 339.804 2.258 20 0 EEADMM COc1ccc(OC)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000341667537 161004104 /nfs/dbraw/zinc/00/41/04/161004104.db2.gz TYYYGUIQHVHSOB-GFCCVEGCSA-N -1 1 339.335 2.323 20 0 EEADMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c1 ZINC000342439779 161065560 /nfs/dbraw/zinc/06/55/60/161065560.db2.gz BEZMVVQAOHEHBU-UHFFFAOYSA-N -1 1 348.428 2.180 20 0 EEADMM Cc1nn(C)cc1S(=O)(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F ZINC000342466456 161067532 /nfs/dbraw/zinc/06/75/32/161067532.db2.gz QZCJORNXXUERCY-CYBMUJFWSA-N -1 1 347.362 2.485 20 0 EEADMM CSc1ccc(C)c(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000343229487 161114764 /nfs/dbraw/zinc/11/47/64/161114764.db2.gz LONPAURWSKRPMT-UHFFFAOYSA-N -1 1 331.397 2.186 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1 ZINC000346686729 161391945 /nfs/dbraw/zinc/39/19/45/161391945.db2.gz LWSLZIYGLQJZKQ-OAQYLSRUSA-N -1 1 337.422 2.427 20 0 EEADMM Cc1nc(S[C@H]2CCCN(CC(F)(F)F)C2=O)[n-]c(=O)c1C ZINC000346719346 161395643 /nfs/dbraw/zinc/39/56/43/161395643.db2.gz XXCKICLIJPHKPF-VIFPVBQESA-N -1 1 335.351 2.444 20 0 EEADMM CCOC(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cncc([O-])c1 ZINC000354907506 163010547 /nfs/dbraw/zinc/01/05/47/163010547.db2.gz WYHJZSKTUBTGHP-HNNXBMFYSA-N -1 1 348.786 2.345 20 0 EEADMM CSc1n[nH]c(NC(=O)Cn2c(C)nc3cc(F)c(F)cc32)n1 ZINC000355419242 163182409 /nfs/dbraw/zinc/18/24/09/163182409.db2.gz HCDGGWCRGFDOBM-UHFFFAOYSA-N -1 1 338.343 2.102 20 0 EEADMM CCC(CC)c1nnc([N-]C(=O)c2cnc(C(=O)OC)cn2)s1 ZINC000355621848 163252027 /nfs/dbraw/zinc/25/20/27/163252027.db2.gz UFRAIDBTFXPGKX-UHFFFAOYSA-N -1 1 335.389 2.271 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc(COC)cc3)no2)o1 ZINC000356131477 163343614 /nfs/dbraw/zinc/34/36/14/163343614.db2.gz FQGXMQRKAQCBQC-UHFFFAOYSA-N -1 1 349.368 2.051 20 0 EEADMM Cc1cnc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)s1 ZINC000358923674 164016581 /nfs/dbraw/zinc/01/65/81/164016581.db2.gz WZDYWOLXVUNGGM-UHFFFAOYSA-N -1 1 343.405 2.143 20 0 EEADMM CC(C)(NC(=O)c1csc(CCc2ccccc2)n1)c1nn[n-]n1 ZINC000359806259 164175467 /nfs/dbraw/zinc/17/54/67/164175467.db2.gz ZSOZTRHEEFMQCV-UHFFFAOYSA-N -1 1 342.428 2.107 20 0 EEADMM 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CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 ZINC000744820736 577903761 /nfs/dbraw/zinc/90/37/61/577903761.db2.gz UFNCDHVQGIUJEJ-LLVKDONJSA-N -1 1 345.351 2.092 20 0 EEADMM COCCn1c(=O)cc([O-])nc1SCc1cc(C)ccc1OC ZINC000745591851 577915700 /nfs/dbraw/zinc/91/57/00/577915700.db2.gz JKXKGYFBBDIAOK-UHFFFAOYSA-N -1 1 336.413 2.205 20 0 EEADMM Cc1cccnc1[C@H](NCC(=O)N[C@H](CC(C)C)C(=O)[O-])C(C)C ZINC000738785023 578026810 /nfs/dbraw/zinc/02/68/10/578026810.db2.gz FPOWEMNLOIVKHR-GDBMZVCRSA-N -1 1 335.448 2.292 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN1CCCN(Cc2cscn2)CC1 ZINC000738963527 578032922 /nfs/dbraw/zinc/03/29/22/578032922.db2.gz LGVMBRTYXLKFQM-UHFFFAOYSA-N -1 1 335.429 2.451 20 0 EEADMM O=C([O-])C1CCC(NC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000739406036 578052238 /nfs/dbraw/zinc/05/22/38/578052238.db2.gz XNQDBEJSIHWXIX-YMAMQOFZSA-N -1 1 349.431 2.359 20 0 EEADMM CC(C)(C)c1nc([C@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000736298615 578193987 /nfs/dbraw/zinc/19/39/87/578193987.db2.gz DHIUTQYPPDCENV-CQSZACIVSA-N -1 1 344.415 2.374 20 0 EEADMM CC(C)(C)c1nnc([C@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000736298615 578193988 /nfs/dbraw/zinc/19/39/88/578193988.db2.gz DHIUTQYPPDCENV-CQSZACIVSA-N -1 1 344.415 2.374 20 0 EEADMM CC[C@H](C)[C@@](C)(O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736328283 578196237 /nfs/dbraw/zinc/19/62/37/578196237.db2.gz HCCPPQXTWBAEJP-QFYYESIMSA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@H](C)[C@@](C)(O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736328283 578196238 /nfs/dbraw/zinc/19/62/38/578196238.db2.gz HCCPPQXTWBAEJP-QFYYESIMSA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736349299 578198159 /nfs/dbraw/zinc/19/81/59/578198159.db2.gz FMWVSJOREINGGK-HNNXBMFYSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736349299 578198160 /nfs/dbraw/zinc/19/81/60/578198160.db2.gz FMWVSJOREINGGK-HNNXBMFYSA-N -1 1 336.399 2.355 20 0 EEADMM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408129 578201984 /nfs/dbraw/zinc/20/19/84/578201984.db2.gz BUUSKPPAWRZKHM-ZDUSSCGKSA-N -1 1 340.412 2.473 20 0 EEADMM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408129 578201985 /nfs/dbraw/zinc/20/19/85/578201985.db2.gz BUUSKPPAWRZKHM-ZDUSSCGKSA-N -1 1 340.412 2.473 20 0 EEADMM CCCN(CCC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736473240 578206499 /nfs/dbraw/zinc/20/64/99/578206499.db2.gz LGBMDODMXXBVCS-UHFFFAOYSA-N -1 1 343.840 2.331 20 0 EEADMM C[C@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000736561771 578211437 /nfs/dbraw/zinc/21/14/37/578211437.db2.gz MTKUCUGMXQKGHT-UONOGXRCSA-N -1 1 330.428 2.145 20 0 EEADMM CCSCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736665963 578217031 /nfs/dbraw/zinc/21/70/31/578217031.db2.gz JSPDVAFCUPROQX-UHFFFAOYSA-N -1 1 347.400 2.469 20 0 EEADMM CCSCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736665963 578217032 /nfs/dbraw/zinc/21/70/32/578217032.db2.gz JSPDVAFCUPROQX-UHFFFAOYSA-N -1 1 347.400 2.469 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736825924 578225854 /nfs/dbraw/zinc/22/58/54/578225854.db2.gz OYCCRZSQVFYSOK-YOEHRIQHSA-N -1 1 330.428 2.403 20 0 EEADMM COc1ccc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2n1 ZINC000737120134 578239525 /nfs/dbraw/zinc/23/95/25/578239525.db2.gz JQMDIQCUFFAACR-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ccc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2n1 ZINC000737120134 578239526 /nfs/dbraw/zinc/23/95/26/578239526.db2.gz JQMDIQCUFFAACR-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N(C)C2CC2)c1-c1nn[n-]n1 ZINC000737188725 578242907 /nfs/dbraw/zinc/24/29/07/578242907.db2.gz DWBFGIHLDVLYAN-UHFFFAOYSA-N -1 1 330.417 2.095 20 0 EEADMM CCOc1ccc([C@H]2CCCN2C(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC000737194555 578243305 /nfs/dbraw/zinc/24/33/05/578243305.db2.gz FCKWFWZKVLTDHS-OAHLLOKOSA-N -1 1 334.416 2.202 20 0 EEADMM Cc1ccc(OC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737366335 578253038 /nfs/dbraw/zinc/25/30/38/578253038.db2.gz YEHUGGHVUQELML-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc(OC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737366335 578253039 /nfs/dbraw/zinc/25/30/39/578253039.db2.gz YEHUGGHVUQELML-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1cccc2c(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c21 ZINC000737409340 578255869 /nfs/dbraw/zinc/25/58/69/578255869.db2.gz MPVRFAQLOFZTTJ-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1cccc2c(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c21 ZINC000737409340 578255870 /nfs/dbraw/zinc/25/58/70/578255870.db2.gz MPVRFAQLOFZTTJ-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Clc1cccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737573195 578264817 /nfs/dbraw/zinc/26/48/17/578264817.db2.gz AMXRXCRBZYAXQO-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1cccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737573195 578264818 /nfs/dbraw/zinc/26/48/18/578264818.db2.gz AMXRXCRBZYAXQO-UHFFFAOYSA-N -1 1 341.806 2.242 20 0 EEADMM Clc1ccc(N2CCOc3ccccc3C2)nc1-c1nnn[n-]1 ZINC000737577225 578265203 /nfs/dbraw/zinc/26/52/03/578265203.db2.gz VDZJAXRSBDOEQJ-UHFFFAOYSA-N -1 1 328.763 2.314 20 0 EEADMM Clc1ccc(N2CCOc3ccccc3C2)nc1-c1nn[n-]n1 ZINC000737577225 578265204 /nfs/dbraw/zinc/26/52/04/578265204.db2.gz VDZJAXRSBDOEQJ-UHFFFAOYSA-N -1 1 328.763 2.314 20 0 EEADMM FC(F)(F)COc1cccc(Nc2nccnc2-c2nnn[n-]2)c1 ZINC000737627393 578267370 /nfs/dbraw/zinc/26/73/70/578267370.db2.gz QQMXDXWZVRZTCV-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1cccc(Nc2nccnc2-c2nn[n-]n2)c1 ZINC000737627393 578267371 /nfs/dbraw/zinc/26/73/71/578267371.db2.gz QQMXDXWZVRZTCV-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C1CCCCC1 ZINC000737983449 578275374 /nfs/dbraw/zinc/27/53/74/578275374.db2.gz VUPATTANMKJJQW-UHFFFAOYSA-N -1 1 337.383 2.331 20 0 EEADMM Cc1nn(-c2ccccc2)c(CSc2ncc[nH]2)c1-c1nn[n-]n1 ZINC000822486776 599128063 /nfs/dbraw/zinc/12/80/63/599128063.db2.gz RYOLOHRUZCIDBJ-UHFFFAOYSA-N -1 1 338.400 2.376 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)NCCCCCC(=O)[O-])CC1 ZINC000818482136 597169307 /nfs/dbraw/zinc/16/93/07/597169307.db2.gz HAZSSYLROFLILP-UHFFFAOYSA-N -1 1 348.447 2.205 20 0 EEADMM O=C1NCCN1c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823548091 607310136 /nfs/dbraw/zinc/31/01/36/607310136.db2.gz SMIZZJYVTLTHOQ-UHFFFAOYSA-N -1 1 341.400 2.070 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000818373977 597513709 /nfs/dbraw/zinc/51/37/09/597513709.db2.gz GCVNULCLGHDDMX-JSGCOSHPSA-N -1 1 339.823 2.059 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000325473864 598184286 /nfs/dbraw/zinc/18/42/86/598184286.db2.gz KBARKWYMHXJKCH-BBRMVZONSA-N -1 1 331.416 2.153 20 0 EEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000822693944 599402316 /nfs/dbraw/zinc/40/23/16/599402316.db2.gz OXIBDQDCQARROG-OAHLLOKOSA-N -1 1 335.371 2.072 20 0 EEADMM Cn1ccnc1[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000822693944 599402317 /nfs/dbraw/zinc/40/23/17/599402317.db2.gz OXIBDQDCQARROG-OAHLLOKOSA-N -1 1 335.371 2.072 20 0 EEADMM Cc1c(Nc2nccnc2-c2nnn[n-]2)cnn1-c1ccccc1F ZINC000822128345 607383637 /nfs/dbraw/zinc/38/36/37/607383637.db2.gz BJMYBYDKPNWGMB-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2nccnc2-c2nn[n-]n2)cnn1-c1ccccc1F ZINC000822128345 607383638 /nfs/dbraw/zinc/38/36/38/607383638.db2.gz BJMYBYDKPNWGMB-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCOC[C@@H]1CCCO1 ZINC000823798377 599560781 /nfs/dbraw/zinc/56/07/81/599560781.db2.gz XBTLKYJBQHBZKX-LBPRGKRZSA-N -1 1 340.387 2.022 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCOC[C@@H]1CCCO1 ZINC000823798377 599560783 /nfs/dbraw/zinc/56/07/83/599560783.db2.gz XBTLKYJBQHBZKX-LBPRGKRZSA-N -1 1 340.387 2.022 20 0 EEADMM C[C@H]1CCc2c(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])csc2C1 ZINC000320714943 599778921 /nfs/dbraw/zinc/77/89/21/599778921.db2.gz UXZSASBPIFMBIZ-ZANVPECISA-N -1 1 333.413 2.022 20 0 EEADMM Cc1ccccc1CN(C)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405316522 600287361 /nfs/dbraw/zinc/28/73/61/600287361.db2.gz KDKHVIBRZDXIQL-INIZCTEOSA-N -1 1 330.428 2.140 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CC(=O)Nc1ccc3c(c1)CCC3)CC2 ZINC000405311327 600303816 /nfs/dbraw/zinc/30/38/16/600303816.db2.gz DTTYDBHCGAUHLX-MRXNPFEDSA-N -1 1 328.412 2.301 20 0 EEADMM Cc1ccc2nc(CNS(=O)(=O)c3cccc(C(=O)[O-])c3)[nH]c2c1 ZINC000832958587 600792158 /nfs/dbraw/zinc/79/21/58/600792158.db2.gz AUNYLBHIWDDNOI-UHFFFAOYSA-N -1 1 345.380 2.048 20 0 EEADMM Cn1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC000324168547 600829225 /nfs/dbraw/zinc/82/92/25/600829225.db2.gz DXPGHSCBNDFABQ-UHFFFAOYSA-N -1 1 349.412 2.124 20 0 EEADMM COc1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c(C(=O)[O-])cc1OC ZINC000832016482 600884343 /nfs/dbraw/zinc/88/43/43/600884343.db2.gz DKOKWHMIENAAPG-QWRGUYRKSA-N -1 1 336.388 2.213 20 0 EEADMM C[C@H](c1ccccc1)N(C)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000320141474 601013084 /nfs/dbraw/zinc/01/30/84/601013084.db2.gz HXPVACABBVTCEJ-HIFRSBDPSA-N -1 1 336.457 2.098 20 0 EEADMM CC(C)[C@H](NC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000826694562 601032034 /nfs/dbraw/zinc/03/20/34/601032034.db2.gz ZBDQXPOBRDXNRS-WMZOPIPTSA-N -1 1 336.407 2.482 20 0 EEADMM CN(C(=O)CN[C@](C)(C(=O)[O-])C1CC1)[C@@H]1CCCc2ccccc21 ZINC000830485891 601033315 /nfs/dbraw/zinc/03/33/15/601033315.db2.gz RCISUMNLCGNTCG-APWZRJJASA-N -1 1 330.428 2.365 20 0 EEADMM CCOc1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000830104716 601130625 /nfs/dbraw/zinc/13/06/25/601130625.db2.gz OEVRMPOOTPIIRQ-CYBMUJFWSA-N -1 1 335.404 2.098 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc3c2ccn3C)CC1 ZINC000827369447 601131703 /nfs/dbraw/zinc/13/17/03/601131703.db2.gz YLJLQNNQFFNQMT-ZDUSSCGKSA-N -1 1 344.415 2.191 20 0 EEADMM Cc1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000832947206 601143650 /nfs/dbraw/zinc/14/36/50/601143650.db2.gz TUZAXAXRWBSDQS-KBPBESRZSA-N -1 1 349.431 2.314 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCN1CCOC ZINC000829143124 601144106 /nfs/dbraw/zinc/14/41/06/601144106.db2.gz XWGNJPKWKQBJMG-OAHLLOKOSA-N -1 1 349.431 2.268 20 0 EEADMM COC(=O)/C(C)=C\CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000831052928 601167175 /nfs/dbraw/zinc/16/71/75/601167175.db2.gz FRGJWRIUQFICOS-WZUFQYTHSA-N -1 1 327.327 2.361 20 0 EEADMM C/C(=C\CN(C)Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[O-] ZINC000825729098 601171685 /nfs/dbraw/zinc/17/16/85/601171685.db2.gz ACASQAGXABMGBX-YCRREMRBSA-N -1 1 329.299 2.479 20 0 EEADMM CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 ZINC000829701974 601280148 /nfs/dbraw/zinc/28/01/48/601280148.db2.gz XJLHJRGPUAKHOV-UHFFFAOYSA-N -1 1 347.371 2.031 20 0 EEADMM c1cc(CN(Cc2ccccc2)Cc2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC000826521141 607500129 /nfs/dbraw/zinc/50/01/29/607500129.db2.gz BJQGJRYPBRBGRY-UHFFFAOYSA-N -1 1 346.398 2.187 20 0 EEADMM CCN1CCN(c2ccc(C(=O)OC/C=C(\C)C(=O)[O-])cc2)CC1 ZINC000829780376 601427601 /nfs/dbraw/zinc/42/76/01/601427601.db2.gz GHFHSZWNLZEVIV-RIYZIHGNSA-N -1 1 332.400 2.016 20 0 EEADMM Clc1cccc2c1OCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826353291 607515917 /nfs/dbraw/zinc/51/59/17/607515917.db2.gz JIADTUPFCODQMV-UHFFFAOYSA-N -1 1 328.763 2.314 20 0 EEADMM Clc1cccc2c1OCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826353291 607515919 /nfs/dbraw/zinc/51/59/19/607515919.db2.gz JIADTUPFCODQMV-UHFFFAOYSA-N -1 1 328.763 2.314 20 0 EEADMM Fc1cc2c(cc1F)N(Cc1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC000826372617 607517742 /nfs/dbraw/zinc/51/77/42/607517742.db2.gz FQPFCGYBQJLUMK-UHFFFAOYSA-N -1 1 328.326 2.493 20 0 EEADMM Fc1cc2c(cc1F)N(Cc1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC000826372617 607517743 /nfs/dbraw/zinc/51/77/43/607517743.db2.gz FQPFCGYBQJLUMK-UHFFFAOYSA-N -1 1 328.326 2.493 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000832915396 601662372 /nfs/dbraw/zinc/66/23/72/601662372.db2.gz JBPORHPDXDKBGK-ZBFHGGJFSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc2ncccc2c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832960218 601784878 /nfs/dbraw/zinc/78/48/78/601784878.db2.gz OVMVSGBSSKIUML-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM CC(C)[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000817977694 601822748 /nfs/dbraw/zinc/82/27/48/601822748.db2.gz SJUVWOFSDAWXTM-LBPRGKRZSA-N -1 1 334.294 2.223 20 0 EEADMM O=C([O-])c1cc(CN[C@H]2CCN(c3cccc(Cl)c3)C2=O)c[nH]1 ZINC000833296720 601835419 /nfs/dbraw/zinc/83/54/19/601835419.db2.gz RZHADSKBOXJHSD-ZDUSSCGKSA-N -1 1 333.775 2.261 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccco1 ZINC000829666941 601836604 /nfs/dbraw/zinc/83/66/04/601836604.db2.gz XAXLEXAMZYVRNM-MGPQQGTHSA-N -1 1 337.420 2.025 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C)n1 ZINC000832419342 601851900 /nfs/dbraw/zinc/85/19/00/601851900.db2.gz IFFUAQDRKQQFTN-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM C[C@@H]1CCCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000828265734 601876561 /nfs/dbraw/zinc/87/65/61/601876561.db2.gz HUUMZVTUOZVJGL-CYBMUJFWSA-N -1 1 345.399 2.233 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000828024867 601910825 /nfs/dbraw/zinc/91/08/25/601910825.db2.gz ZKCKBWPQUZUZQG-HNNXBMFYSA-N -1 1 328.315 2.023 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000832868497 602212492 /nfs/dbraw/zinc/21/24/92/602212492.db2.gz NIHKFUQKZZAWIS-UHFFFAOYSA-N -1 1 337.401 2.416 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(C)C(C)(C)C(=O)[O-])n2)cc1 ZINC000832907685 602245978 /nfs/dbraw/zinc/24/59/78/602245978.db2.gz HHLCHZVPAQBUNE-UHFFFAOYSA-N -1 1 348.428 2.194 20 0 EEADMM COc1ccc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826193039 607677566 /nfs/dbraw/zinc/67/75/66/607677566.db2.gz NKBJUWCDUKLAME-UHFFFAOYSA-N -1 1 337.796 2.017 20 0 EEADMM COc1ccc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826193039 607677568 /nfs/dbraw/zinc/67/75/68/607677568.db2.gz NKBJUWCDUKLAME-UHFFFAOYSA-N -1 1 337.796 2.017 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)o1 ZINC000832924740 604506774 /nfs/dbraw/zinc/50/67/74/604506774.db2.gz YOUGAGCDJOKQLH-GJZGRUSLSA-N -1 1 349.431 2.374 20 0 EEADMM O=C([O-])c1cccc(NC2CCN(c3ncnc4[nH]cnc43)CC2)c1 ZINC000833331903 604638957 /nfs/dbraw/zinc/63/89/57/604638957.db2.gz SUHCUPFIQSDCKW-UHFFFAOYSA-N -1 1 338.371 2.132 20 0 EEADMM O=C([O-])CCc1csc(NC(=O)c2c[nH]nc2-c2ccncc2)n1 ZINC000833240677 604729468 /nfs/dbraw/zinc/72/94/68/604729468.db2.gz NKNUHPVOHDNNLJ-UHFFFAOYSA-N -1 1 343.368 2.198 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(F)cc1 ZINC000826294959 607716265 /nfs/dbraw/zinc/71/62/65/607716265.db2.gz LAIUHZCZMDJKCX-UHFFFAOYSA-N -1 1 336.330 2.072 20 0 EEADMM COc1cc2c(cc1OC)CN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)CC2 ZINC000833730331 604825199 /nfs/dbraw/zinc/82/51/99/604825199.db2.gz STQMELVXIUUNKE-AWEZNQCLSA-N -1 1 333.384 2.209 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)N[C@H]3CCCc4cn[nH]c43)cc21 ZINC000833769375 604924850 /nfs/dbraw/zinc/92/48/50/604924850.db2.gz AEQGMMJIUUYUMS-LBPRGKRZSA-N -1 1 340.343 2.183 20 0 EEADMM CC(C)C(=O)NCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833467935 605061932 /nfs/dbraw/zinc/06/19/32/605061932.db2.gz YDUULLFZJWPLTJ-LBPRGKRZSA-N -1 1 333.215 2.481 20 0 EEADMM CC(C)[C@@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000833468752 605081111 /nfs/dbraw/zinc/08/11/11/605081111.db2.gz KCSXDYILZBVHJG-CVEARBPZSA-N -1 1 329.400 2.352 20 0 EEADMM C[C@H]1CN(Cc2ccc(CNC(=O)CCCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000833629840 605760504 /nfs/dbraw/zinc/76/05/04/605760504.db2.gz NCAANCXINNXOAB-GJZGRUSLSA-N -1 1 348.443 2.167 20 0 EEADMM Cc1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822324190 606141097 /nfs/dbraw/zinc/14/10/97/606141097.db2.gz XFHYSCDAJVYXOS-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822324190 606141095 /nfs/dbraw/zinc/14/10/95/606141095.db2.gz XFHYSCDAJVYXOS-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Clc1ccc(N2CCC[C@]3(CCCOC3)C2)nc1-c1nnn[n-]1 ZINC000822578864 606142456 /nfs/dbraw/zinc/14/24/56/606142456.db2.gz RMGUGEAFGGEQPE-HNNXBMFYSA-N -1 1 334.811 2.312 20 0 EEADMM Clc1ccc(N2CCC[C@]3(CCCOC3)C2)nc1-c1nn[n-]n1 ZINC000822578864 606142457 /nfs/dbraw/zinc/14/24/57/606142457.db2.gz RMGUGEAFGGEQPE-HNNXBMFYSA-N -1 1 334.811 2.312 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2ncsc2c1 ZINC000823294637 606292251 /nfs/dbraw/zinc/29/22/51/606292251.db2.gz LOQDGNICTZZZDE-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM COC(=O)C1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCC1 ZINC000821653991 606421857 /nfs/dbraw/zinc/42/18/57/606421857.db2.gz QMYIMYFAOZJPLR-UHFFFAOYSA-N -1 1 336.783 2.060 20 0 EEADMM COC(=O)C1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCC1 ZINC000821653991 606421859 /nfs/dbraw/zinc/42/18/59/606421859.db2.gz QMYIMYFAOZJPLR-UHFFFAOYSA-N -1 1 336.783 2.060 20 0 EEADMM Cc1ccsc1[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822380164 606425976 /nfs/dbraw/zinc/42/59/76/606425976.db2.gz ZJPLITCQDPWHLZ-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccsc1[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822380164 606425977 /nfs/dbraw/zinc/42/59/77/606425977.db2.gz ZJPLITCQDPWHLZ-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM CCCCC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC ZINC000821050784 606430345 /nfs/dbraw/zinc/43/03/45/606430345.db2.gz UKOHVHYMVUSDDI-SNVBAGLBSA-N -1 1 338.799 2.449 20 0 EEADMM CCCCC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC ZINC000821050784 606430346 /nfs/dbraw/zinc/43/03/46/606430346.db2.gz UKOHVHYMVUSDDI-SNVBAGLBSA-N -1 1 338.799 2.449 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2ncc[nH]2)nc1-c1nnn[n-]1 ZINC000822579253 606481132 /nfs/dbraw/zinc/48/11/32/606481132.db2.gz ZLGAXKFLDVZICD-JTQLQIEISA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2c2ncc[nH]2)nc1-c1nn[n-]n1 ZINC000822579253 606481134 /nfs/dbraw/zinc/48/11/34/606481134.db2.gz ZLGAXKFLDVZICD-JTQLQIEISA-N -1 1 330.783 2.370 20 0 EEADMM COc1cc(C(C)=O)ccc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821708049 606490591 /nfs/dbraw/zinc/49/05/91/606490591.db2.gz IZBVFOVMTGKRAM-UHFFFAOYSA-N -1 1 344.352 2.359 20 0 EEADMM COc1cc(C(C)=O)ccc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821708049 606490593 /nfs/dbraw/zinc/49/05/93/606490593.db2.gz IZBVFOVMTGKRAM-UHFFFAOYSA-N -1 1 344.352 2.359 20 0 EEADMM CCc1nc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821504453 606534673 /nfs/dbraw/zinc/53/46/73/606534673.db2.gz DRYWSFMAKJIPTQ-UHFFFAOYSA-N -1 1 334.430 2.219 20 0 EEADMM CCc1nc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821504453 606534674 /nfs/dbraw/zinc/53/46/74/606534674.db2.gz DRYWSFMAKJIPTQ-UHFFFAOYSA-N -1 1 334.430 2.219 20 0 EEADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823144893 606565802 /nfs/dbraw/zinc/56/58/02/606565802.db2.gz MSAPDWTXHQWRTF-XVKPBYJWSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823144893 606565803 /nfs/dbraw/zinc/56/58/03/606565803.db2.gz MSAPDWTXHQWRTF-XVKPBYJWSA-N -1 1 347.350 2.492 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907724 606566197 /nfs/dbraw/zinc/56/61/97/606566197.db2.gz QLESWSVFZAQFCJ-GXFFZTMASA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907724 606566198 /nfs/dbraw/zinc/56/61/98/606566198.db2.gz QLESWSVFZAQFCJ-GXFFZTMASA-N -1 1 349.460 2.499 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccc(F)cc21 ZINC000821626951 606577666 /nfs/dbraw/zinc/57/76/66/606577666.db2.gz GXWARKLXBSBZSD-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccc(F)cc21 ZINC000821626951 606577668 /nfs/dbraw/zinc/57/76/68/606577668.db2.gz GXWARKLXBSBZSD-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM C[C@H](CNc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820281111 606816615 /nfs/dbraw/zinc/81/66/15/606816615.db2.gz RFSSPKLEWGLZFU-SNVBAGLBSA-N -1 1 328.401 2.159 20 0 EEADMM C[C@H](CNc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820281111 606816617 /nfs/dbraw/zinc/81/66/17/606816617.db2.gz RFSSPKLEWGLZFU-SNVBAGLBSA-N -1 1 328.401 2.159 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2ccccc2n1 ZINC000822183580 607024339 /nfs/dbraw/zinc/02/43/39/607024339.db2.gz IJNKMBYOQMIWEF-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2ccccc2n1 ZINC000822183580 607024341 /nfs/dbraw/zinc/02/43/41/607024341.db2.gz IJNKMBYOQMIWEF-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1n1ccnc1 ZINC000820727106 607046829 /nfs/dbraw/zinc/04/68/29/607046829.db2.gz GQIXEPXEZWQRKK-ZYHUDNBSSA-N -1 1 344.810 2.199 20 0 EEADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC000820727106 607046831 /nfs/dbraw/zinc/04/68/31/607046831.db2.gz GQIXEPXEZWQRKK-ZYHUDNBSSA-N -1 1 344.810 2.199 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154729 607166850 /nfs/dbraw/zinc/16/68/50/607166850.db2.gz IOZBKHJARCPVSD-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154729 607166852 /nfs/dbraw/zinc/16/68/52/607166852.db2.gz IOZBKHJARCPVSD-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM Cc1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826298694 607865275 /nfs/dbraw/zinc/86/52/75/607865275.db2.gz DKPXFZGXAJNIJT-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM Cc1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826298694 607865276 /nfs/dbraw/zinc/86/52/76/607865276.db2.gz DKPXFZGXAJNIJT-UHFFFAOYSA-N -1 1 327.319 2.332 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)OCc1ccccc1 ZINC000826418573 607866670 /nfs/dbraw/zinc/86/66/70/607866670.db2.gz MQWPMUQIQZJMPU-UHFFFAOYSA-N -1 1 328.303 2.128 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)OCc1ccccc1 ZINC000826418573 607866671 /nfs/dbraw/zinc/86/66/71/607866671.db2.gz MQWPMUQIQZJMPU-UHFFFAOYSA-N -1 1 328.303 2.128 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc([S@@](C)=O)cc1 ZINC000824662785 607903023 /nfs/dbraw/zinc/90/30/23/607903023.db2.gz RSFDWYKGLGCUSW-DJNLSKAYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc([S@@](C)=O)cc1 ZINC000824662785 607903024 /nfs/dbraw/zinc/90/30/24/607903024.db2.gz RSFDWYKGLGCUSW-DJNLSKAYSA-N -1 1 328.401 2.172 20 0 EEADMM Cn1ncc(Nc2c3ccccc3nnc2-c2nnn[n-]2)c1C(F)F ZINC000826366708 607967685 /nfs/dbraw/zinc/96/76/85/607967685.db2.gz URGMMOFLNAXNSD-UHFFFAOYSA-N -1 1 343.301 2.225 20 0 EEADMM Cn1ncc(Nc2c3ccccc3nnc2-c2nn[n-]n2)c1C(F)F ZINC000826366708 607967686 /nfs/dbraw/zinc/96/76/86/607967686.db2.gz URGMMOFLNAXNSD-UHFFFAOYSA-N -1 1 343.301 2.225 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826332023 607988778 /nfs/dbraw/zinc/98/87/78/607988778.db2.gz HKTBQBOLFJKYAO-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826332023 607988779 /nfs/dbraw/zinc/98/87/79/607988779.db2.gz HKTBQBOLFJKYAO-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cn1cc(NCc2ccc(-c3nn[n-]n3)s2)c(-c2ccccn2)n1 ZINC000826362172 608134012 /nfs/dbraw/zinc/13/40/12/608134012.db2.gz GZXKEHCWXKRZBB-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM Clc1nsc(N2CC(Oc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826354354 608182491 /nfs/dbraw/zinc/18/24/91/608182491.db2.gz ZDWMRKHICGSIKI-UHFFFAOYSA-N -1 1 334.792 2.244 20 0 EEADMM Clc1nsc(N2CC(Oc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826354354 608182492 /nfs/dbraw/zinc/18/24/92/608182492.db2.gz ZDWMRKHICGSIKI-UHFFFAOYSA-N -1 1 334.792 2.244 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826297069 608405191 /nfs/dbraw/zinc/40/51/91/608405191.db2.gz UKYMMHBEFGJJBY-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826297069 608405192 /nfs/dbraw/zinc/40/51/92/608405192.db2.gz UKYMMHBEFGJJBY-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374214 608429930 /nfs/dbraw/zinc/42/99/30/608429930.db2.gz QHIUMUNPTYWPDQ-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374214 608429932 /nfs/dbraw/zinc/42/99/32/608429932.db2.gz QHIUMUNPTYWPDQ-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367327 608430211 /nfs/dbraw/zinc/43/02/11/608430211.db2.gz UXLUFIXTFOWWET-BDAKNGLRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367327 608430212 /nfs/dbraw/zinc/43/02/12/608430212.db2.gz UXLUFIXTFOWWET-BDAKNGLRSA-N -1 1 327.314 2.437 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccc(Cn2cccn2)c1 ZINC000826280779 608545017 /nfs/dbraw/zinc/54/50/17/608545017.db2.gz PEJWKWOHRQSDTJ-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM CCc1nc([C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000825745134 608662721 /nfs/dbraw/zinc/66/27/21/608662721.db2.gz IPWVKDKQTVSRTI-JTQLQIEISA-N -1 1 331.405 2.211 20 0 EEADMM Fc1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826376648 608676149 /nfs/dbraw/zinc/67/61/49/608676149.db2.gz MGSYEYHQDOTLJS-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1cccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826376648 608676150 /nfs/dbraw/zinc/67/61/50/608676150.db2.gz MGSYEYHQDOTLJS-OAHLLOKOSA-N -1 1 329.335 2.172 20 0 EEADMM CCOC(=O)COc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000825517385 609474267 /nfs/dbraw/zinc/47/42/67/609474267.db2.gz BIMBCIVVGMQZND-UHFFFAOYSA-N -1 1 343.343 2.014 20 0 EEADMM CCOC(=O)COc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000825517385 609474270 /nfs/dbraw/zinc/47/42/70/609474270.db2.gz BIMBCIVVGMQZND-UHFFFAOYSA-N -1 1 343.343 2.014 20 0 EEADMM COCc1nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(=O)[n-]1 ZINC000891511255 676680694 /nfs/dbraw/zinc/68/06/94/676680694.db2.gz QVGBFCVDPSONLW-ZDUSSCGKSA-N -1 1 343.383 2.441 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccnc1Br ZINC000891621082 676730167 /nfs/dbraw/zinc/73/01/67/676730167.db2.gz FHNTZJHZHMOURN-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM O=C(C[C@@H]1CSCCS1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623280 676732223 /nfs/dbraw/zinc/73/22/23/676732223.db2.gz VIDIXJSSQQHHGN-SECBINFHSA-N -1 1 325.459 2.238 20 0 EEADMM O=C(CN1CCC[C@H]1c1ccsc1)N[N-]C(=O)c1cccs1 ZINC000052803583 679376781 /nfs/dbraw/zinc/37/67/81/679376781.db2.gz AFGSZWFBLPOIJO-LBPRGKRZSA-N -1 1 335.454 2.408 20 0 EEADMM CC(C)n1c(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)n[n-]c1=S ZINC000066640506 681780258 /nfs/dbraw/zinc/78/02/58/681780258.db2.gz PXEAIYNMXIOHKJ-VXGBXAGGSA-N -1 1 342.465 2.112 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675913 682026397 /nfs/dbraw/zinc/02/63/97/682026397.db2.gz OMSBDFSNALFVGA-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c1Cl ZINC000053156066 682099656 /nfs/dbraw/zinc/09/96/56/682099656.db2.gz DRQLGSONOMFNFI-UHFFFAOYSA-N -1 1 338.191 2.345 20 0 EEADMM [O-]c1cc(Br)cnc1CNCc1cnc2n1CCCC2 ZINC000894304302 682295824 /nfs/dbraw/zinc/29/58/24/682295824.db2.gz AKFWTXOIWJMRMJ-UHFFFAOYSA-N -1 1 337.221 2.372 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC001059135907 682552056 /nfs/dbraw/zinc/55/20/56/682552056.db2.gz BNBRJHZEXCLNFW-CABCVRRESA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)CC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973687188 682909378 /nfs/dbraw/zinc/90/93/78/682909378.db2.gz AFRMKTSKKPSJFD-LSDHHAIUSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000973687180 682909406 /nfs/dbraw/zinc/90/94/06/682909406.db2.gz AFRMKTSKKPSJFD-CABCVRRESA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)c1cc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001059201159 683199869 /nfs/dbraw/zinc/19/98/69/683199869.db2.gz STXZDWLRTCRXMD-HAQNSBGRSA-N -1 1 327.388 2.074 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000909414863 683302521 /nfs/dbraw/zinc/30/25/21/683302521.db2.gz PTYSLLLZEMSLHE-GXTWGEPZSA-N -1 1 334.391 2.068 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)CC(C)(C)CC(F)(F)F)nc2n1 ZINC000893071449 683682170 /nfs/dbraw/zinc/68/21/70/683682170.db2.gz BJVUUCHFLDQICY-UHFFFAOYSA-N -1 1 345.325 2.287 20 0 EEADMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866900225 683780260 /nfs/dbraw/zinc/78/02/60/683780260.db2.gz BGHRRLRACPPOOK-WPRPVWTQSA-N -1 1 341.260 2.464 20 0 EEADMM CC(C)C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncccc1[O-] ZINC000984164257 684182913 /nfs/dbraw/zinc/18/29/13/684182913.db2.gz DPNVUKTZWHKJPF-UHOFOFEASA-N -1 1 345.443 2.189 20 0 EEADMM CC(C)(C)/C=C\C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059352947 684342827 /nfs/dbraw/zinc/34/28/27/684342827.db2.gz CPSOVTPKSZQYSY-DEBLGDTFSA-N -1 1 345.443 2.358 20 0 EEADMM C[C@H](C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984336946 684435252 /nfs/dbraw/zinc/43/52/52/684435252.db2.gz OQAIRSYDGKJVQJ-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059361954 684443907 /nfs/dbraw/zinc/44/39/07/684443907.db2.gz RVHSMKWNJZAIOO-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CCn1cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(C)n1 ZINC000895473205 684614010 /nfs/dbraw/zinc/61/40/10/684614010.db2.gz NENIBVPMVRXCFJ-MFKMUULPSA-N -1 1 332.370 2.100 20 0 EEADMM COc1ccccc1OCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900574416 693991702 /nfs/dbraw/zinc/99/17/02/693991702.db2.gz SHRPGFGJFHZFCT-UHFFFAOYSA-N -1 1 343.383 2.267 20 0 EEADMM CC(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515892 686282672 /nfs/dbraw/zinc/28/26/72/686282672.db2.gz ACNKKRXKWPHNGW-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975257453 686363643 /nfs/dbraw/zinc/36/36/43/686363643.db2.gz OPIWGXBQTYCVBP-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM COC[C@H](C)NC(=O)CCn1c(=S)[n-]nc1-c1cccs1 ZINC000143530767 687124622 /nfs/dbraw/zinc/12/46/22/687124622.db2.gz FBEIOKTUONEFCC-VIFPVBQESA-N -1 1 326.447 2.210 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060144156 694155970 /nfs/dbraw/zinc/15/59/70/694155970.db2.gz OUBNBRNNNXIOMN-SXSSENBOSA-N -1 1 343.427 2.278 20 0 EEADMM O=C([O-])c1cccc(CNCc2ccncc2OC[C@@H]2CCOC2)c1 ZINC000263397653 689793551 /nfs/dbraw/zinc/79/35/51/689793551.db2.gz HCNUVFSOHLRKDT-OAHLLOKOSA-N -1 1 342.395 2.485 20 0 EEADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987741981 690000341 /nfs/dbraw/zinc/00/03/41/690000341.db2.gz SRDKDRSILOCZSN-HUUCEWRRSA-N -1 1 343.427 2.064 20 0 EEADMM Cc1sccc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000987877269 690114543 /nfs/dbraw/zinc/11/45/43/690114543.db2.gz IFBAPSUTOSMDTE-MFKMUULPSA-N -1 1 345.424 2.190 20 0 EEADMM CN(CC1CCN(C(=O)C=C2CCC2)CC1)C(=O)c1ncccc1[O-] ZINC000988501678 690761056 /nfs/dbraw/zinc/76/10/56/690761056.db2.gz WQJIKJRQTSAOHY-UHFFFAOYSA-N -1 1 343.427 2.208 20 0 EEADMM COC[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@@H](C)O1 ZINC000897507670 690777517 /nfs/dbraw/zinc/77/75/17/690777517.db2.gz WYUHSNVRDSRDRH-RISCZKNCSA-N -1 1 331.368 2.127 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ccccc2Cl)C1)c1ncccc1[O-] ZINC000937864700 691033178 /nfs/dbraw/zinc/03/31/78/691033178.db2.gz VZLNGLNWMWQELH-NSHDSACASA-N -1 1 345.786 2.085 20 0 EEADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCC1CCCCCC1 ZINC000989193570 691513886 /nfs/dbraw/zinc/51/38/86/691513886.db2.gz KQHLHIFXLCVCQN-HIFRSBDPSA-N -1 1 349.479 2.340 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H](C)[S@@]1=O ZINC000897549124 691581169 /nfs/dbraw/zinc/58/11/69/691581169.db2.gz IMSHFQRKXGHJMP-OHBMEQOUSA-N -1 1 333.409 2.233 20 0 EEADMM CN(C[C@H]1CCN1C(=O)[C@@H]1CCCC1(C)C)C(=O)c1ncccc1[O-] ZINC000977623082 692857132 /nfs/dbraw/zinc/85/71/32/692857132.db2.gz XDTZWZAINZGSSU-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ncccc2[O-])CCN(C(=O)CC2CC2)C1 ZINC000990679841 693206204 /nfs/dbraw/zinc/20/62/04/693206204.db2.gz DYVVYHORMCEFPQ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([N-][C@@H]1CCCC12OCCO2)C(F)(F)c1c(F)cccc1F ZINC000898949388 693538382 /nfs/dbraw/zinc/53/83/82/693538382.db2.gz JTKUINRDNUHUIT-LLVKDONJSA-N -1 1 333.281 2.468 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])oc1C ZINC000943961378 1192727326 /nfs/dbraw/zinc/72/73/26/1192727326.db2.gz DAXUYJZSJLRWJJ-CYBMUJFWSA-N -1 1 343.383 2.032 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)[C@@H]1CC12CCCC2)c1ncccc1[O-] ZINC000944290882 1192995310 /nfs/dbraw/zinc/99/53/10/1192995310.db2.gz WFXPQQIATUGALD-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM CC(C)=CC(=O)N1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000944350298 1193034221 /nfs/dbraw/zinc/03/42/21/1193034221.db2.gz VBJISLNRBOMPHL-UHFFFAOYSA-N -1 1 343.427 2.208 20 0 EEADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC001414348299 1188208072 /nfs/dbraw/zinc/20/80/72/1188208072.db2.gz RXUANULIHXBPHS-LBPRGKRZSA-N -1 1 335.372 2.221 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(Cl)cc1 ZINC001409261794 1188231834 /nfs/dbraw/zinc/23/18/34/1188231834.db2.gz SLAXNKGJTKKUOH-ZDUSSCGKSA-N -1 1 347.802 2.379 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1ccoc1C1CC1 ZINC001076246508 1188802138 /nfs/dbraw/zinc/80/21/38/1188802138.db2.gz WCQGSCPTXFLFHX-NSHDSACASA-N -1 1 343.383 2.196 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)CC1=CCCCC1 ZINC001076243992 1188805669 /nfs/dbraw/zinc/80/56/69/1188805669.db2.gz GDGCDKDZUMJYMX-ZDUSSCGKSA-N -1 1 331.416 2.302 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCC1(C)C ZINC001409857371 1190702921 /nfs/dbraw/zinc/70/29/21/1190702921.db2.gz BFCNEAPXJVVRJO-KGLIPLIRSA-N -1 1 347.459 2.484 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN([C@H](C)c2ncc(C)o2)C1 ZINC001033812955 1195321475 /nfs/dbraw/zinc/32/14/75/1195321475.db2.gz GHKQBOUSNCOGCZ-ZIAGYGMSSA-N -1 1 344.415 2.381 20 0 EEADMM N[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000864608561 1197834490 /nfs/dbraw/zinc/83/44/90/1197834490.db2.gz QAPHVAWADUQNIO-UTVJUBTNSA-N -1 1 344.333 2.465 20 0 EEADMM C[C@@H]1CN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000864613389 1197838813 /nfs/dbraw/zinc/83/88/13/1197838813.db2.gz UEFSAADTPBUITK-OASPWFOLSA-N -1 1 344.333 2.274 20 0 EEADMM COc1ccc(CCC(=O)[N-]OCC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000871799828 1197911094 /nfs/dbraw/zinc/91/10/94/1197911094.db2.gz UFNZURAWFRLJJG-GASCZTMLSA-N -1 1 348.443 2.180 20 0 EEADMM CS(C)(=O)=Nc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000872375458 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328.401 2.419 20 0 EEADMM Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)o2)nc2ccccc12 ZINC001609450352 1351982530 /nfs/dbraw/zinc/98/25/30/1351982530.db2.gz LDGWPPISSPQGEQ-UHFFFAOYSA-N -1 1 336.311 2.068 20 0 EEADMM Cc1nsc(NC(=O)NC2(C(F)F)CCCC2)c1-c1nnn[n-]1 ZINC001609465799 1351987965 /nfs/dbraw/zinc/98/79/65/1351987965.db2.gz RISIEXYQLJMEMI-UHFFFAOYSA-N -1 1 343.363 2.331 20 0 EEADMM Cc1nsc(NC(=O)NC2(C(F)F)CCCC2)c1-c1nn[n-]n1 ZINC001609465799 1351987968 /nfs/dbraw/zinc/98/79/68/1351987968.db2.gz RISIEXYQLJMEMI-UHFFFAOYSA-N -1 1 343.363 2.331 20 0 EEADMM O=C(NCCc1cc(F)cc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609551117 1352013310 /nfs/dbraw/zinc/01/33/10/1352013310.db2.gz QSFBYQXKSPTAHR-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1cc(F)cc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609551117 1352013315 /nfs/dbraw/zinc/01/33/15/1352013315.db2.gz QSFBYQXKSPTAHR-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(Nc1ccnn1C1CCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609569160 1352019033 /nfs/dbraw/zinc/01/90/33/1352019033.db2.gz QNYZIJUMBJNBER-UHFFFAOYSA-N -1 1 329.389 2.492 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC1CC1)C1CCCCC1 ZINC001609583008 1352026529 /nfs/dbraw/zinc/02/65/29/1352026529.db2.gz MFIFEEVMCMIRKS-UHFFFAOYSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC1CC1)C1CCCCC1 ZINC001609583008 1352026532 /nfs/dbraw/zinc/02/65/32/1352026532.db2.gz MFIFEEVMCMIRKS-UHFFFAOYSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@H](C(=O)Nc1nccs1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001609637644 1352047549 /nfs/dbraw/zinc/04/75/49/1352047549.db2.gz FDGUCPIVBQXTBJ-SJKOYZFVSA-N -1 1 345.424 2.198 20 0 EEADMM C[C@](N)(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001609761800 1352078847 /nfs/dbraw/zinc/07/88/47/1352078847.db2.gz NKFXSJIMNONCOJ-AUUYWEPGSA-N -1 1 344.386 2.059 20 0 EEADMM C[C@@H](N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC001609774618 1352082377 /nfs/dbraw/zinc/08/23/77/1352082377.db2.gz KPKAAVXLZQYMRG-MLGOLLRUSA-N -1 1 330.359 2.438 20 0 EEADMM C[C@H](NCCn1cc(C(=O)[O-])nn1)c1csc(-c2ccccc2)n1 ZINC001609781385 1352084531 /nfs/dbraw/zinc/08/45/31/1352084531.db2.gz TZPGSMZBESMMHQ-NSHDSACASA-N -1 1 343.412 2.451 20 0 EEADMM C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609782600 1352084791 /nfs/dbraw/zinc/08/47/91/1352084791.db2.gz WERLHOMZLTZEOD-LBPRGKRZSA-N -1 1 328.368 2.100 20 0 EEADMM CN(c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C)C1CCC1 ZINC001338528929 1336872886 /nfs/dbraw/zinc/87/28/86/1336872886.db2.gz GOCNNSQYAQGBKY-UHFFFAOYSA-N -1 1 337.387 2.028 20 0 EEADMM CCOC(=O)C1(N(C)C[C@@H]2CC(C(=O)[O-])=C(C)O2)CCCCC1 ZINC001610013220 1352140891 /nfs/dbraw/zinc/14/08/91/1352140891.db2.gz UDMFOJZCLFPAAX-ZDUSSCGKSA-N -1 1 325.405 2.332 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](C)COCc1ccccc1 ZINC001348571138 1337560669 /nfs/dbraw/zinc/56/06/69/1337560669.db2.gz WAOPIQCZPRDNRX-NSHDSACASA-N -1 1 347.440 2.362 20 0 EEADMM O=C([N-]OC[C@@H]1CCOC1)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001351898020 1337863642 /nfs/dbraw/zinc/86/36/42/1337863642.db2.gz JRUBJCJDIMFFGJ-NVXWUHKLSA-N -1 1 336.407 2.265 20 0 EEADMM Cc1ccoc1CNC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000847375063 1337991850 /nfs/dbraw/zinc/99/18/50/1337991850.db2.gz BIKVWURQJZOUNX-GHMZBOCLSA-N -1 1 347.337 2.329 20 0 EEADMM COc1ccc([C@@H](NCc2ccc(CO)cc2)C(=O)[O-])c(OC)c1 ZINC001610324762 1352205673 /nfs/dbraw/zinc/20/56/73/1352205673.db2.gz LPQSGDBPEFRMER-QGZVFWFLSA-N -1 1 331.368 2.112 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001610344215 1352208629 /nfs/dbraw/zinc/20/86/29/1352208629.db2.gz IITKCQLUQQPENH-UHFFFAOYSA-N -1 1 343.401 2.178 20 0 EEADMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)N2 ZINC001200814917 1338647886 /nfs/dbraw/zinc/64/78/86/1338647886.db2.gz AOZXBYIFRWSIPC-HNNXBMFYSA-N -1 1 334.372 2.414 20 0 EEADMM CSCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610384037 1352214117 /nfs/dbraw/zinc/21/41/17/1352214117.db2.gz LAXONKSNOSXZCC-UHFFFAOYSA-N -1 1 338.410 2.444 20 0 EEADMM Cc1cc(Br)c(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)s1 ZINC001610432018 1352221347 /nfs/dbraw/zinc/22/13/47/1352221347.db2.gz FCINIXUXFMKRGH-RKDXNWHRSA-N -1 1 334.235 2.086 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n[nH]1 ZINC001610459384 1352226224 /nfs/dbraw/zinc/22/62/24/1352226224.db2.gz PGHKYEAOSFYNPC-WCQYABFASA-N -1 1 336.436 2.182 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])n2C)N2CCCC2)o1 ZINC001610493032 1352232350 /nfs/dbraw/zinc/23/23/50/1352232350.db2.gz JUYPDKAZVUZHKI-HNNXBMFYSA-N -1 1 345.399 2.192 20 0 EEADMM Cc1cncc(CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1 ZINC001610541004 1352241664 /nfs/dbraw/zinc/24/16/64/1352241664.db2.gz XBPXIFABYKXZAK-HNNXBMFYSA-N -1 1 349.431 2.286 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000849374486 1339155477 /nfs/dbraw/zinc/15/54/77/1339155477.db2.gz CGLHLIVMDAHWCL-JTQLQIEISA-N -1 1 349.733 2.476 20 0 EEADMM O=C([O-])c1ccc(CCc2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001610824900 1352281187 /nfs/dbraw/zinc/28/11/87/1352281187.db2.gz SECNUYWWWFTEQH-HNNXBMFYSA-N -1 1 327.384 2.362 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CN2CC[C@@H](CN3CCOC3=O)C2)c1 ZINC001610830035 1352281929 /nfs/dbraw/zinc/28/19/29/1352281929.db2.gz DBGPRAGZJLOLFA-LLVKDONJSA-N -1 1 338.791 2.312 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC001429703687 1339988461 /nfs/dbraw/zinc/98/84/61/1339988461.db2.gz KCVFIJMIFFXZKM-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC001429999544 1340085198 /nfs/dbraw/zinc/08/51/98/1340085198.db2.gz GYXICEUGXLSJJQ-NRXISQOPSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CCCC1(C)C ZINC001430577985 1340260356 /nfs/dbraw/zinc/26/03/56/1340260356.db2.gz JAEQYGVYVZXMSU-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CNC(=O)C1CCC(C)(C)CC1)NC(=O)c1ncccc1[O-] ZINC001431626522 1340656131 /nfs/dbraw/zinc/65/61/31/1340656131.db2.gz IIVIVIPQHGQCHG-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C1(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001433227500 1341543906 /nfs/dbraw/zinc/54/39/06/1341543906.db2.gz XCIJOVQZJNSYEX-KGLIPLIRSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(Cc1ccc(Cl)s1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001557724541 1342453728 /nfs/dbraw/zinc/45/37/28/1342453728.db2.gz YIVBCRIBKHPVCI-ZDUSSCGKSA-N -1 1 333.804 2.363 20 0 EEADMM CCCC(=O)N[C@](C)(CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577203019 1344104508 /nfs/dbraw/zinc/10/45/08/1344104508.db2.gz NPTLRZMOTAQERD-OAHLLOKOSA-N -1 1 349.464 2.129 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577424594 1344147007 /nfs/dbraw/zinc/14/70/07/1344147007.db2.gz BVFYHXVJGKEBDY-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577424594 1344147009 /nfs/dbraw/zinc/14/70/09/1344147009.db2.gz BVFYHXVJGKEBDY-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM COC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001579701148 1344407250 /nfs/dbraw/zinc/40/72/50/1344407250.db2.gz VUYGLWOFGVEEPA-GFCCVEGCSA-N -1 1 347.762 2.231 20 0 EEADMM COC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001579701148 1344407253 /nfs/dbraw/zinc/40/72/53/1344407253.db2.gz VUYGLWOFGVEEPA-GFCCVEGCSA-N -1 1 347.762 2.231 20 0 EEADMM COc1ccc(CCNC(=O)c2ccsc2-c2nnn[n-]2)cc1F ZINC001579995841 1344446290 /nfs/dbraw/zinc/44/62/90/1344446290.db2.gz GYEUGVYVJADCFQ-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccc(CCNC(=O)c2ccsc2-c2nn[n-]n2)cc1F ZINC001579995841 1344446294 /nfs/dbraw/zinc/44/62/94/1344446294.db2.gz GYEUGVYVJADCFQ-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccc(CN(C)C(=O)c2coc(-c3nnn[n-]3)c2)cc1Cl ZINC001579997694 1344446601 /nfs/dbraw/zinc/44/66/01/1344446601.db2.gz UQNBBFIWXOXSGI-UHFFFAOYSA-N -1 1 347.762 2.394 20 0 EEADMM COc1ccc(CN(C)C(=O)c2coc(-c3nn[n-]n3)c2)cc1Cl ZINC001579997694 1344446604 /nfs/dbraw/zinc/44/66/04/1344446604.db2.gz UQNBBFIWXOXSGI-UHFFFAOYSA-N -1 1 347.762 2.394 20 0 EEADMM COc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1OC ZINC001580071046 1344464159 /nfs/dbraw/zinc/46/41/59/1344464159.db2.gz OWKFAQQGPDDAEC-UHFFFAOYSA-N -1 1 343.318 2.275 20 0 EEADMM COc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1OC ZINC001580071046 1344464162 /nfs/dbraw/zinc/46/41/62/1344464162.db2.gz OWKFAQQGPDDAEC-UHFFFAOYSA-N -1 1 343.318 2.275 20 0 EEADMM Cc1c(Nc2ccc(-c3nnn[n-]3)nn2)cnn1-c1ccc(F)cc1 ZINC001580559663 1344536731 /nfs/dbraw/zinc/53/67/31/1344536731.db2.gz FMLLRSURTSCTOH-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1c(Nc2ccc(-c3nn[n-]n3)nn2)cnn1-c1ccc(F)cc1 ZINC001580559663 1344536735 /nfs/dbraw/zinc/53/67/35/1344536735.db2.gz FMLLRSURTSCTOH-UHFFFAOYSA-N -1 1 337.322 2.034 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC001580604010 1344542223 /nfs/dbraw/zinc/54/22/23/1344542223.db2.gz ZDHILNHCVQAJJZ-RYUDHWBXSA-N -1 1 344.419 2.220 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(Cl)c2)c1-c1nnn[n-]1 ZINC001581174599 1344594939 /nfs/dbraw/zinc/59/49/39/1344594939.db2.gz YGYAJDOACYLMGU-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(Cl)c2)c1-c1nn[n-]n1 ZINC001581174599 1344594941 /nfs/dbraw/zinc/59/49/41/1344594941.db2.gz YGYAJDOACYLMGU-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1nsc(N[C@H](C)[C@@H](C)NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581686975 1344654399 /nfs/dbraw/zinc/65/43/99/1344654399.db2.gz XMJTUFBTRZPGPV-RKDXNWHRSA-N -1 1 349.464 2.127 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2C(F)F)c1-c1nnn[n-]1 ZINC001581739960 1344658749 /nfs/dbraw/zinc/65/87/49/1344658749.db2.gz XEWUZJMBANWCEN-UHFFFAOYSA-N -1 1 334.286 2.282 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2C(F)F)c1-c1nn[n-]n1 ZINC001581739960 1344658753 /nfs/dbraw/zinc/65/87/53/1344658753.db2.gz XEWUZJMBANWCEN-UHFFFAOYSA-N -1 1 334.286 2.282 20 0 EEADMM O=C(NCCc1ccc(F)cc1F)c1csc(-c2nn[n-]n2)c1 ZINC001582526471 1344758347 /nfs/dbraw/zinc/75/83/47/1344758347.db2.gz FIKXTPGLXHAALC-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C1Cc2cc(Nc3nc(-c4nn[n-]n4)c(Cl)s3)ccc2N1 ZINC001582777581 1344790980 /nfs/dbraw/zinc/79/09/80/1344790980.db2.gz CVDNWOANGKNQRR-UHFFFAOYSA-N -1 1 333.764 2.215 20 0 EEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C=CCC2)c1F ZINC000849429676 1373258251 /nfs/dbraw/zinc/25/82/51/1373258251.db2.gz UFXNYTPHMKUUGG-VIFPVBQESA-N -1 1 333.768 2.263 20 0 EEADMM CC(C)(C)CC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001589110724 1348961222 /nfs/dbraw/zinc/96/12/22/1348961222.db2.gz KESOUOGRMKUXJH-UHFFFAOYSA-N -1 1 325.372 2.187 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001589118760 1348961823 /nfs/dbraw/zinc/96/18/23/1348961823.db2.gz KWUNNPNKCLOVLD-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589118760 1348961824 /nfs/dbraw/zinc/96/18/24/1348961824.db2.gz KWUNNPNKCLOVLD-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001589145456 1348965348 /nfs/dbraw/zinc/96/53/48/1348965348.db2.gz RZCZMCHXXNLARU-INIZCTEOSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589507121 1348998280 /nfs/dbraw/zinc/99/82/80/1348998280.db2.gz BXLSONXLBVOUHI-WDEREUQCSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589507121 1348998288 /nfs/dbraw/zinc/99/82/88/1348998288.db2.gz BXLSONXLBVOUHI-WDEREUQCSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)Oc1cc(COC(=O)c2sccc2-c2nn[n-]n2)ccn1 ZINC001589750551 1349028815 /nfs/dbraw/zinc/02/88/15/1349028815.db2.gz IJHAUPHPFXWRDJ-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM C[C@@H](CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)n1cccc1 ZINC001589793473 1349044189 /nfs/dbraw/zinc/04/41/89/1349044189.db2.gz SXBGWDJWGKYLDZ-JTQLQIEISA-N -1 1 346.341 2.214 20 0 EEADMM C[C@@H](CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)n1cccc1 ZINC001589793473 1349044195 /nfs/dbraw/zinc/04/41/95/1349044195.db2.gz SXBGWDJWGKYLDZ-JTQLQIEISA-N -1 1 346.341 2.214 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cc(F)cc(F)c1 ZINC001590007573 1349105101 /nfs/dbraw/zinc/10/51/01/1349105101.db2.gz BSESOBLSNBRGKY-SECBINFHSA-N -1 1 345.309 2.387 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cc(F)cc(F)c1 ZINC001590007573 1349105113 /nfs/dbraw/zinc/10/51/13/1349105113.db2.gz BSESOBLSNBRGKY-SECBINFHSA-N -1 1 345.309 2.387 20 0 EEADMM C[C@@]1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001590132250 1349169754 /nfs/dbraw/zinc/16/97/54/1349169754.db2.gz KNRMJNUIARUHHN-IBGZPJMESA-N -1 1 348.410 2.286 20 0 EEADMM C[C@@]1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001590132250 1349169760 /nfs/dbraw/zinc/16/97/60/1349169760.db2.gz KNRMJNUIARUHHN-IBGZPJMESA-N -1 1 348.410 2.286 20 0 EEADMM C[C@@H]1CC(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)C[C@@H](C)C1 ZINC001590186863 1349186638 /nfs/dbraw/zinc/18/66/38/1349186638.db2.gz GKELRIWWIUTTSV-UWVGGRQHSA-N -1 1 349.464 2.195 20 0 EEADMM C[C@@H]1CC(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)C[C@@H](C)C1 ZINC001590186863 1349186639 /nfs/dbraw/zinc/18/66/39/1349186639.db2.gz GKELRIWWIUTTSV-UWVGGRQHSA-N -1 1 349.464 2.195 20 0 EEADMM C[C@@H]1CCC[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590247328 1349225661 /nfs/dbraw/zinc/22/56/61/1349225661.db2.gz JNWIDGSWGHZGOI-PHDIDXHHSA-N -1 1 327.801 2.287 20 0 EEADMM CCC(CC)(CC)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590427074 1349319035 /nfs/dbraw/zinc/31/90/35/1349319035.db2.gz REDWIRSKZPZRLA-UHFFFAOYSA-N -1 1 343.478 2.316 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1ccccc1F ZINC001590445444 1349327306 /nfs/dbraw/zinc/32/73/06/1349327306.db2.gz YOLTUNUMVJHBJU-LLVKDONJSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1ccccc1F ZINC001590445444 1349327310 /nfs/dbraw/zinc/32/73/10/1349327310.db2.gz YOLTUNUMVJHBJU-LLVKDONJSA-N -1 1 345.334 2.186 20 0 EEADMM CC[C@@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001590457816 1349334863 /nfs/dbraw/zinc/33/48/63/1349334863.db2.gz VGCABUVIDAVDHU-CYBMUJFWSA-N -1 1 345.407 2.361 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC001590460174 1349336378 /nfs/dbraw/zinc/33/63/78/1349336378.db2.gz YEXJPXHWRNJRNS-JTQLQIEISA-N -1 1 348.370 2.019 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC001590460174 1349336382 /nfs/dbraw/zinc/33/63/82/1349336382.db2.gz YEXJPXHWRNJRNS-JTQLQIEISA-N -1 1 348.370 2.019 20 0 EEADMM CCc1nc(NCCC2C[C@@H](C)O[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001590920500 1349412911 /nfs/dbraw/zinc/41/29/11/1349412911.db2.gz XUCHFTXQUIMQDG-GHMZBOCLSA-N -1 1 331.424 2.225 20 0 EEADMM CCc1nc(NCCC2C[C@@H](C)O[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001590920500 1349412913 /nfs/dbraw/zinc/41/29/13/1349412913.db2.gz XUCHFTXQUIMQDG-GHMZBOCLSA-N -1 1 331.424 2.225 20 0 EEADMM CCn1c(CCNc2ccnc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC001590945920 1349421564 /nfs/dbraw/zinc/42/15/64/1349421564.db2.gz YCPYSCVVNCMABP-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCn1c(CCNc2ccnc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC001590945920 1349421570 /nfs/dbraw/zinc/42/15/70/1349421570.db2.gz YCPYSCVVNCMABP-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590962230 1349425361 /nfs/dbraw/zinc/42/53/61/1349425361.db2.gz YEPPGBGSTACYEI-LLVKDONJSA-N -1 1 341.375 2.044 20 0 EEADMM CO[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001591351607 1349467784 /nfs/dbraw/zinc/46/77/84/1349467784.db2.gz OTAPVUIAEFFDJJ-DTWKUNHWSA-N -1 1 328.298 2.260 20 0 EEADMM CO[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001591351607 1349467790 /nfs/dbraw/zinc/46/77/90/1349467790.db2.gz OTAPVUIAEFFDJJ-DTWKUNHWSA-N -1 1 328.298 2.260 20 0 EEADMM COc1cccc(NC(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001591645419 1349522132 /nfs/dbraw/zinc/52/21/32/1349522132.db2.gz GOYOGWJZAVSMNH-UHFFFAOYSA-N -1 1 331.361 2.284 20 0 EEADMM COc1cccc(NC(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591645419 1349522141 /nfs/dbraw/zinc/52/21/41/1349522141.db2.gz GOYOGWJZAVSMNH-UHFFFAOYSA-N -1 1 331.361 2.284 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001591646921 1349524218 /nfs/dbraw/zinc/52/42/18/1349524218.db2.gz NMQURJDHSGYOMN-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccccc1C(C)(C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001591646921 1349524225 /nfs/dbraw/zinc/52/42/25/1349524225.db2.gz NMQURJDHSGYOMN-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001591716885 1349534938 /nfs/dbraw/zinc/53/49/38/1349534938.db2.gz DHZIBBHDNBBHFM-KWQFWETISA-N -1 1 344.444 2.389 20 0 EEADMM Cc1cc(=O)oc2cc(OCc3nc(-c4nnn[n-]4)cs3)ccc12 ZINC001591905152 1349554678 /nfs/dbraw/zinc/55/46/78/1349554678.db2.gz USJFXPOPPABGCP-UHFFFAOYSA-N -1 1 341.352 2.317 20 0 EEADMM Cc1cc(=O)oc2cc(OCc3nc(-c4nn[n-]n4)cs3)ccc12 ZINC001591905152 1349554683 /nfs/dbraw/zinc/55/46/83/1349554683.db2.gz USJFXPOPPABGCP-UHFFFAOYSA-N -1 1 341.352 2.317 20 0 EEADMM Cc1nsc(NC(=O)COc2cc(C)ccc2F)c1-c1nnn[n-]1 ZINC001592172969 1349601699 /nfs/dbraw/zinc/60/16/99/1349601699.db2.gz MHOIWSJOZKSYEU-UHFFFAOYSA-N -1 1 348.363 2.097 20 0 EEADMM Cc1nsc(NC(=O)COc2cc(C)ccc2F)c1-c1nn[n-]n1 ZINC001592172969 1349601708 /nfs/dbraw/zinc/60/17/08/1349601708.db2.gz MHOIWSJOZKSYEU-UHFFFAOYSA-N -1 1 348.363 2.097 20 0 EEADMM Cc1ccc2c(c1C)OC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001592204923 1349608744 /nfs/dbraw/zinc/60/87/44/1349608744.db2.gz LWFZYEUTIXLIRX-LLVKDONJSA-N -1 1 328.401 2.163 20 0 EEADMM Cc1ccc2c(c1C)OC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001592204923 1349608748 /nfs/dbraw/zinc/60/87/48/1349608748.db2.gz LWFZYEUTIXLIRX-LLVKDONJSA-N -1 1 328.401 2.163 20 0 EEADMM Cc1nc(N[C@@H]2Cc3ccc(Cl)cc3C2)cc(-c2nnn[n-]2)n1 ZINC001592383955 1349625736 /nfs/dbraw/zinc/62/57/36/1349625736.db2.gz MXMYSDJQNPTXDB-GFCCVEGCSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1nc(N[C@@H]2Cc3ccc(Cl)cc3C2)cc(-c2nn[n-]n2)n1 ZINC001592383955 1349625738 /nfs/dbraw/zinc/62/57/38/1349625738.db2.gz MXMYSDJQNPTXDB-GFCCVEGCSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1ncc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)s1 ZINC001592409159 1349628199 /nfs/dbraw/zinc/62/81/99/1349628199.db2.gz VMLZUVUAGDZGQS-LURJTMIESA-N -1 1 349.807 2.171 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C)c3ccccc3n2)c1-c1nnn[n-]1 ZINC001592432735 1349631987 /nfs/dbraw/zinc/63/19/87/1349631987.db2.gz HXTKSXFPLIIWGU-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C)c3ccccc3n2)c1-c1nn[n-]n1 ZINC001592432735 1349631988 /nfs/dbraw/zinc/63/19/88/1349631988.db2.gz HXTKSXFPLIIWGU-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC001592468409 1349634558 /nfs/dbraw/zinc/63/45/58/1349634558.db2.gz KTCDILJOTLBJCE-YFKPBYRVSA-N -1 1 334.327 2.183 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC001592468409 1349634561 /nfs/dbraw/zinc/63/45/61/1349634561.db2.gz KTCDILJOTLBJCE-YFKPBYRVSA-N -1 1 334.327 2.183 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@@H]2CCCC2(F)F)c1-c1nnn[n-]1 ZINC001592469237 1349634622 /nfs/dbraw/zinc/63/46/22/1349634622.db2.gz YGNSGKSBIWSYHH-QMMMGPOBSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(N(C)C(=O)C[C@@H]2CCCC2(F)F)c1-c1nn[n-]n1 ZINC001592469237 1349634626 /nfs/dbraw/zinc/63/46/26/1349634626.db2.gz YGNSGKSBIWSYHH-QMMMGPOBSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(NC/C=C/CNC(=O)[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592489180 1349636215 /nfs/dbraw/zinc/63/62/15/1349636215.db2.gz LLRXGHVMPCSVBV-BRAIEQGRSA-N -1 1 349.464 2.008 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)C[C@H](O)c1cccs1 ZINC001592498674 1349637138 /nfs/dbraw/zinc/63/71/38/1349637138.db2.gz CRUYKKXDAJLBCC-KWQFWETISA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)C[C@H](O)c1cccs1 ZINC001592498674 1349637139 /nfs/dbraw/zinc/63/71/39/1349637139.db2.gz CRUYKKXDAJLBCC-KWQFWETISA-N -1 1 347.400 2.072 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCSc1ccccn1 ZINC001592503670 1349640322 /nfs/dbraw/zinc/64/03/22/1349640322.db2.gz WQRWCZCZVBCFEW-UHFFFAOYSA-N -1 1 344.400 2.075 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCSc1ccccn1 ZINC001592503670 1349640327 /nfs/dbraw/zinc/64/03/27/1349640327.db2.gz WQRWCZCZVBCFEW-UHFFFAOYSA-N -1 1 344.400 2.075 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C1(C)CC1 ZINC001592504512 1349642792 /nfs/dbraw/zinc/64/27/92/1349642792.db2.gz BWWVXQLLRJFYHL-LLVKDONJSA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C1(C)CC1 ZINC001592504512 1349642798 /nfs/dbraw/zinc/64/27/98/1349642798.db2.gz BWWVXQLLRJFYHL-LLVKDONJSA-N -1 1 340.387 2.477 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001592534405 1349650299 /nfs/dbraw/zinc/65/02/99/1349650299.db2.gz NPCRHNYBOMNTJY-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534405 1349650300 /nfs/dbraw/zinc/65/03/00/1349650300.db2.gz NPCRHNYBOMNTJY-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1nsc(NC[C@@H]2Cc3ccccc3O2)c1-c1nnn[n-]1 ZINC001592541613 1349653460 /nfs/dbraw/zinc/65/34/60/1349653460.db2.gz GXYCPRQPABHZMG-QMMMGPOBSA-N -1 1 334.792 2.392 20 0 EEADMM Clc1nsc(NC[C@@H]2Cc3ccccc3O2)c1-c1nn[n-]n1 ZINC001592541613 1349653461 /nfs/dbraw/zinc/65/34/61/1349653461.db2.gz GXYCPRQPABHZMG-QMMMGPOBSA-N -1 1 334.792 2.392 20 0 EEADMM Cn1ncc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1-c1ccccc1 ZINC001592602180 1349668256 /nfs/dbraw/zinc/66/82/56/1349668256.db2.gz MAMZMPXOQFEZCR-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Cn1ncc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1-c1ccccc1 ZINC001592602180 1349668262 /nfs/dbraw/zinc/66/82/62/1349668262.db2.gz MAMZMPXOQFEZCR-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM FC(F)(F)[C@H]1CC[C@@H](CCNc2cccnc2-c2nnn[n-]2)O1 ZINC001592613218 1349669021 /nfs/dbraw/zinc/66/90/21/1349669021.db2.gz BMKTUBQGVNTQNU-WCBMZHEXSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@H]1CC[C@@H](CCNc2cccnc2-c2nn[n-]n2)O1 ZINC001592613218 1349669023 /nfs/dbraw/zinc/66/90/23/1349669023.db2.gz BMKTUBQGVNTQNU-WCBMZHEXSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CC[C@H](CCNc2cccnc2-c2nnn[n-]2)O1 ZINC001592613217 1349669820 /nfs/dbraw/zinc/66/98/20/1349669820.db2.gz BMKTUBQGVNTQNU-SCZZXKLOSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CC[C@H](CCNc2cccnc2-c2nn[n-]n2)O1 ZINC001592613217 1349669823 /nfs/dbraw/zinc/66/98/23/1349669823.db2.gz BMKTUBQGVNTQNU-SCZZXKLOSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001592613630 1349670491 /nfs/dbraw/zinc/67/04/91/1349670491.db2.gz IBYUKIBVEWMJMM-WPRPVWTQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001592613630 1349670494 /nfs/dbraw/zinc/67/04/94/1349670494.db2.gz IBYUKIBVEWMJMM-WPRPVWTQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cc(-c3nnn[n-]3)ncn2)CC12CCC2 ZINC001592614022 1349670647 /nfs/dbraw/zinc/67/06/47/1349670647.db2.gz RAQKZZCFCBVFEQ-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cc(-c3nn[n-]n3)ncn2)CC12CCC2 ZINC001592614022 1349670651 /nfs/dbraw/zinc/67/06/51/1349670651.db2.gz RAQKZZCFCBVFEQ-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001592615201 1349672710 /nfs/dbraw/zinc/67/27/10/1349672710.db2.gz FYPZGXBYXJAKRZ-MRVPVSSYSA-N -1 1 333.339 2.081 20 0 EEADMM FC(F)[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001592624691 1349677646 /nfs/dbraw/zinc/67/76/46/1349677646.db2.gz NIDAWZJJWLAQOD-LURJTMIESA-N -1 1 334.252 2.372 20 0 EEADMM FC(F)[C@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001592624691 1349677651 /nfs/dbraw/zinc/67/76/51/1349677651.db2.gz NIDAWZJJWLAQOD-LURJTMIESA-N -1 1 334.252 2.372 20 0 EEADMM Fc1ccc(C2CN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)cc1 ZINC001592648254 1349693049 /nfs/dbraw/zinc/69/30/49/1349693049.db2.gz DZKJZTNDSYCCFF-UHFFFAOYSA-N -1 1 337.362 2.277 20 0 EEADMM Fc1ccc(C2CN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)cc1 ZINC001592648254 1349693055 /nfs/dbraw/zinc/69/30/55/1349693055.db2.gz DZKJZTNDSYCCFF-UHFFFAOYSA-N -1 1 337.362 2.277 20 0 EEADMM Fc1ccc([C@@H]2OCC[C@H]2Nc2cccnc2-c2nnn[n-]2)cc1F ZINC001592653007 1349696624 /nfs/dbraw/zinc/69/66/24/1349696624.db2.gz FJFXBGCCAMGMRC-HIFRSBDPSA-N -1 1 344.325 2.482 20 0 EEADMM Fc1ccc([C@@H]2OCC[C@H]2Nc2cccnc2-c2nn[n-]n2)cc1F ZINC001592653007 1349696628 /nfs/dbraw/zinc/69/66/28/1349696628.db2.gz FJFXBGCCAMGMRC-HIFRSBDPSA-N -1 1 344.325 2.482 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1coc(-c2nnn[n-]2)c1 ZINC001593004351 1349733892 /nfs/dbraw/zinc/73/38/92/1349733892.db2.gz ODMPCZDERCQEFT-GFCCVEGCSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1coc(-c2nn[n-]n2)c1 ZINC001593004351 1349733895 /nfs/dbraw/zinc/73/38/95/1349733895.db2.gz ODMPCZDERCQEFT-GFCCVEGCSA-N -1 1 329.747 2.010 20 0 EEADMM O=C(NCCC1(F)CCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593059093 1349735176 /nfs/dbraw/zinc/73/51/76/1349735176.db2.gz KZPPJFJAEPNYCU-UHFFFAOYSA-N -1 1 328.351 2.360 20 0 EEADMM O=C(NCCCSc1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001593078769 1349737152 /nfs/dbraw/zinc/73/71/52/1349737152.db2.gz TXHZLLIJKATHBC-UHFFFAOYSA-N -1 1 329.385 2.372 20 0 EEADMM O=C(NCCCSc1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001593078769 1349737155 /nfs/dbraw/zinc/73/71/55/1349737155.db2.gz TXHZLLIJKATHBC-UHFFFAOYSA-N -1 1 329.385 2.372 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(Cl)c(Cl)[nH]1 ZINC001593136775 1349740009 /nfs/dbraw/zinc/74/00/09/1349740009.db2.gz SRULJQLJPJOHLF-UHFFFAOYSA-N -1 1 343.199 2.493 20 0 EEADMM O=C(Nc1n[nH]c2ccccc21)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593261828 1349753772 /nfs/dbraw/zinc/75/37/72/1349753772.db2.gz BYXXGSTUMBTXIC-UHFFFAOYSA-N -1 1 344.338 2.477 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1SCCCS1 ZINC001593263874 1349754941 /nfs/dbraw/zinc/75/49/41/1349754941.db2.gz ZQPMHWOYNPRSSI-UHFFFAOYSA-N -1 1 348.866 2.111 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1(Cc2ccc(F)cc2)CC1 ZINC001593267333 1349756531 /nfs/dbraw/zinc/75/65/31/1349756531.db2.gz ALRABHHOMSNWCJ-UHFFFAOYSA-N -1 1 344.375 2.424 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(Cc2ccc(F)cc2)CC1 ZINC001593267333 1349756533 /nfs/dbraw/zinc/75/65/33/1349756533.db2.gz ALRABHHOMSNWCJ-UHFFFAOYSA-N -1 1 344.375 2.424 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001593298172 1349771565 /nfs/dbraw/zinc/77/15/65/1349771565.db2.gz YUHQXMYKSCNVJW-STQMWFEESA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001593298172 1349771567 /nfs/dbraw/zinc/77/15/67/1349771567.db2.gz YUHQXMYKSCNVJW-STQMWFEESA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]1c1ccsc1 ZINC001593306938 1349775757 /nfs/dbraw/zinc/77/57/57/1349775757.db2.gz HKQDWELZCKDGRY-DTWKUNHWSA-N -1 1 333.398 2.232 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]1c1ccsc1 ZINC001593306938 1349775759 /nfs/dbraw/zinc/77/57/59/1349775759.db2.gz HKQDWELZCKDGRY-DTWKUNHWSA-N -1 1 333.398 2.232 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](C2CCCCC2)C1 ZINC001593337374 1349783682 /nfs/dbraw/zinc/78/36/82/1349783682.db2.gz ZVYIIWDTYIJVDE-CQSZACIVSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](C2CCCCC2)C1 ZINC001593337374 1349783688 /nfs/dbraw/zinc/78/36/88/1349783688.db2.gz ZVYIIWDTYIJVDE-CQSZACIVSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2ncco2)CC1 ZINC001593350754 1349788858 /nfs/dbraw/zinc/78/88/58/1349788858.db2.gz QHOJPJOEKSDSCU-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC(c2ncco2)CC1 ZINC001593350754 1349788862 /nfs/dbraw/zinc/78/88/62/1349788862.db2.gz QHOJPJOEKSDSCU-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccco1 ZINC001593367719 1349791602 /nfs/dbraw/zinc/79/16/02/1349791602.db2.gz NZXOTCVFVIHGGI-UHFFFAOYSA-N -1 1 339.311 2.488 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccco1 ZINC001593367719 1349791605 /nfs/dbraw/zinc/79/16/05/1349791605.db2.gz NZXOTCVFVIHGGI-UHFFFAOYSA-N -1 1 339.311 2.488 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593368179 1349791756 /nfs/dbraw/zinc/79/17/56/1349791756.db2.gz VDENFXAQOHAMCA-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593368179 1349791761 /nfs/dbraw/zinc/79/17/61/1349791761.db2.gz VDENFXAQOHAMCA-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM c1ccc(C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC001593572910 1349857270 /nfs/dbraw/zinc/85/72/70/1349857270.db2.gz ICBDGDQHOANBMI-MRXNPFEDSA-N -1 1 343.394 2.475 20 0 EEADMM c1ccc(COc2ccnc(Oc3cccnc3-c3nnn[n-]3)n2)cc1 ZINC001593574809 1349858554 /nfs/dbraw/zinc/85/85/54/1349858554.db2.gz IRICRIQSWFNFRP-UHFFFAOYSA-N -1 1 347.338 2.423 20 0 EEADMM c1ccc(COc2ccnc(Oc3cccnc3-c3nn[n-]n3)n2)cc1 ZINC001593574809 1349858557 /nfs/dbraw/zinc/85/85/57/1349858557.db2.gz IRICRIQSWFNFRP-UHFFFAOYSA-N -1 1 347.338 2.423 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(SC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC001593585594 1349865539 /nfs/dbraw/zinc/86/55/39/1349865539.db2.gz WQKWANPCAOOLKI-LBPRGKRZSA-N -1 1 347.444 2.330 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(SC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC001593585594 1349865544 /nfs/dbraw/zinc/86/55/44/1349865544.db2.gz WQKWANPCAOOLKI-LBPRGKRZSA-N -1 1 347.444 2.330 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CC(=O)NC[C@H]1c1ccccc1 ZINC001597154247 1349918929 /nfs/dbraw/zinc/91/89/29/1349918929.db2.gz QMRBWOGATAVXPA-INIZCTEOSA-N -1 1 347.374 2.254 20 0 EEADMM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001600139621 1349978690 /nfs/dbraw/zinc/97/86/90/1349978690.db2.gz GZNWUCQZCPJACF-UHFFFAOYSA-N -1 1 338.385 2.482 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)/C=C\C(=O)[O-])n2)cc1 ZINC001600320032 1350019579 /nfs/dbraw/zinc/01/95/79/1350019579.db2.gz PTZNZMLXDNXNSI-UIJKISKDSA-N -1 1 346.412 2.018 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c(C(C)C)n1 ZINC001600334093 1350022433 /nfs/dbraw/zinc/02/24/33/1350022433.db2.gz UMLVVVXBJHGRHN-AWEZNQCLSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1ccc([C@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001600393640 1350038961 /nfs/dbraw/zinc/03/89/61/1350038961.db2.gz AEURAMREACIPDF-DLBZAZTESA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C(=O)[O-] ZINC001600409560 1350043557 /nfs/dbraw/zinc/04/35/57/1350043557.db2.gz DMZFWKITOOWZJV-CYBMUJFWSA-N -1 1 344.333 2.288 20 0 EEADMM Cc1ccc(NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])c(Cl)c1 ZINC001600448734 1350054341 /nfs/dbraw/zinc/05/43/41/1350054341.db2.gz OMJDHMWCFZPNAU-BXUZGUMPSA-N -1 1 340.807 2.199 20 0 EEADMM Cc1cccc([C@@H](NCCn2cc(C(=O)[O-])nn2)c2ccccn2)c1 ZINC001600518491 1350071587 /nfs/dbraw/zinc/07/15/87/1350071587.db2.gz DIYVAIPEYGXNCN-QGZVFWFLSA-N -1 1 337.383 2.059 20 0 EEADMM Cc1ccccc1[C@@H](CO)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC001600570380 1350085735 /nfs/dbraw/zinc/08/57/35/1350085735.db2.gz RBLISFITAWWVBX-CYBMUJFWSA-N -1 1 334.397 2.016 20 0 EEADMM Cc1cnc([C@H](C)NC[C@@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC001600619141 1350098783 /nfs/dbraw/zinc/09/87/83/1350098783.db2.gz VBHYWHOBUYTSNC-WCQYABFASA-N -1 1 336.413 2.240 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@H]1CCOC1 ZINC001600651367 1350107875 /nfs/dbraw/zinc/10/78/75/1350107875.db2.gz LHHJGWBFSJBBAG-WDEREUQCSA-N -1 1 326.418 2.050 20 0 EEADMM Cc1nc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n[nH]1 ZINC001600792419 1350138414 /nfs/dbraw/zinc/13/84/14/1350138414.db2.gz OFKJRPWHIFRIOD-IUCAKERBSA-N -1 1 334.401 2.169 20 0 EEADMM O=C([O-])c1coc(C=CC(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC001601234202 1350237881 /nfs/dbraw/zinc/23/78/81/1350237881.db2.gz SIELTXRBBVAAOX-DUXPYHPUSA-N -1 1 343.314 2.365 20 0 EEADMM O=C([O-])c1cc2[nH]c(NC(=O)CCF)nc2c(Br)c1 ZINC001601275238 1350246873 /nfs/dbraw/zinc/24/68/73/1350246873.db2.gz CKGSIOPGRDJVQN-UHFFFAOYSA-N -1 1 330.113 2.322 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)Nc1cc(F)cc(Cl)c1O ZINC001601297033 1350251315 /nfs/dbraw/zinc/25/13/15/1350251315.db2.gz RQEVAKGOOSAPCE-UHFFFAOYSA-N -1 1 328.683 2.442 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC001601323742 1350257327 /nfs/dbraw/zinc/25/73/27/1350257327.db2.gz LIYMFYWCTKRMGN-QGZVFWFLSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)COc1ccccc1-c1nnc[nH]1 ZINC001601344372 1350262568 /nfs/dbraw/zinc/26/25/68/1350262568.db2.gz FPXAYFZELTUOQL-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])c1ccn(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)n1 ZINC001601384653 1350271334 /nfs/dbraw/zinc/27/13/34/1350271334.db2.gz DAGUCPLRUNSWHM-UHFFFAOYSA-N -1 1 335.270 2.034 20 0 EEADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001601408175 1350277358 /nfs/dbraw/zinc/27/73/58/1350277358.db2.gz BZLKUTIYIQVIHI-LDYMZIIASA-N -1 1 347.289 2.163 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc(F)cc1O)CCS2 ZINC001601445273 1350285277 /nfs/dbraw/zinc/28/52/77/1350285277.db2.gz GQXPSYNJZIYVOB-JRKQCGKRSA-N -1 1 339.388 2.390 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C2CCCC2)cc1 ZINC001601564951 1350307751 /nfs/dbraw/zinc/30/77/51/1350307751.db2.gz KXIBFBVDBZZGCM-INIZCTEOSA-N -1 1 327.384 2.493 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc(NC4CC4)nc3)[nH]c21 ZINC001601633371 1350324821 /nfs/dbraw/zinc/32/48/21/1350324821.db2.gz VGFJFXLXBRHXGI-UHFFFAOYSA-N -1 1 337.339 2.483 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C/C=C\c1ccccc1)C1CC1 ZINC001601776849 1350362753 /nfs/dbraw/zinc/36/27/53/1350362753.db2.gz AOCXTLWKWHUKMI-GGVHLCNSSA-N -1 1 328.412 2.001 20 0 EEADMM O=C([O-])[C@@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC001601858085 1350382494 /nfs/dbraw/zinc/38/24/94/1350382494.db2.gz ORYWYDMOBJFAAF-VIFPVBQESA-N -1 1 335.303 2.053 20 0 EEADMM O=C([O-])Cc1csc(NC(=O)CCN2CCc3ccccc3C2)n1 ZINC001602150306 1350452241 /nfs/dbraw/zinc/45/22/41/1350452241.db2.gz CZPLUGFMJFEQGI-UHFFFAOYSA-N -1 1 345.424 2.157 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC001602320081 1350493466 /nfs/dbraw/zinc/49/34/66/1350493466.db2.gz FUOCUZMEMJKINZ-ZDUSSCGKSA-N -1 1 348.399 2.242 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)nc1 ZINC001602336587 1350497809 /nfs/dbraw/zinc/49/78/09/1350497809.db2.gz GMQXQEVOFVPKME-UHFFFAOYSA-N -1 1 344.386 2.489 20 0 EEADMM O=C([O-])c1ccccc1CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC001602466183 1350525814 /nfs/dbraw/zinc/52/58/14/1350525814.db2.gz IIRWIXXNKCRSBC-INIZCTEOSA-N -1 1 330.428 2.404 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc(-c4nnc[nH]4)cc3)[C@@H]2C1 ZINC001602609891 1350556456 /nfs/dbraw/zinc/55/64/56/1350556456.db2.gz RKEZAJOUGKRNIX-AAVRWANBSA-N -1 1 327.340 2.128 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001602952733 1350609432 /nfs/dbraw/zinc/60/94/32/1350609432.db2.gz NAXSMSKJOSRVIC-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(C)(CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1=CCCC1 ZINC001603144290 1350648679 /nfs/dbraw/zinc/64/86/79/1350648679.db2.gz XNXBXAPYIGFOAP-UHFFFAOYSA-N -1 1 347.448 2.259 20 0 EEADMM CC(C)(CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1=CCCC1 ZINC001603144290 1350648683 /nfs/dbraw/zinc/64/86/83/1350648683.db2.gz XNXBXAPYIGFOAP-UHFFFAOYSA-N -1 1 347.448 2.259 20 0 EEADMM CC(C)C[C@@H](C)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001603259266 1350674233 /nfs/dbraw/zinc/67/42/33/1350674233.db2.gz FDUAYIIMAXUFGT-LLVKDONJSA-N -1 1 329.404 2.230 20 0 EEADMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603463168 1350709342 /nfs/dbraw/zinc/70/93/42/1350709342.db2.gz FRWZHXMYUCEEKG-ZWNOBZJWSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603463168 1350709343 /nfs/dbraw/zinc/70/93/43/1350709343.db2.gz FRWZHXMYUCEEKG-ZWNOBZJWSA-N -1 1 343.412 2.170 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n[nH]1 ZINC001603501367 1350713611 /nfs/dbraw/zinc/71/36/11/1350713611.db2.gz MAFBVACNHZVPPL-ZJUUUORDSA-N -1 1 337.376 2.195 20 0 EEADMM CC1(C)CC[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)OC1 ZINC001603772864 1350762891 /nfs/dbraw/zinc/76/28/91/1350762891.db2.gz UMEKNEPLEJOAFW-GFCCVEGCSA-N -1 1 339.399 2.387 20 0 EEADMM C[C@@]12CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]1C2(F)F ZINC001603824985 1350777516 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1 341.462 2.033 20 0 EEADMM CC1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001603878756 1350790841 /nfs/dbraw/zinc/79/08/41/1350790841.db2.gz ZFMZIMPSAGYIQB-UHFFFAOYSA-N -1 1 341.462 2.033 20 0 EEADMM CC[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC001604017075 1350829998 /nfs/dbraw/zinc/82/99/98/1350829998.db2.gz ZRRWIEQJXRCFJR-NSHDSACASA-N -1 1 325.376 2.421 20 0 EEADMM CC[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC001604017075 1350830000 /nfs/dbraw/zinc/83/00/00/1350830000.db2.gz ZRRWIEQJXRCFJR-NSHDSACASA-N -1 1 325.376 2.421 20 0 EEADMM CC[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)Oc1ccccc1F ZINC001604039764 1350835999 /nfs/dbraw/zinc/83/59/99/1350835999.db2.gz KJQPLNVLWQJLEL-LLVKDONJSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)Oc1ccccc1F ZINC001604039764 1350836003 /nfs/dbraw/zinc/83/60/03/1350836003.db2.gz KJQPLNVLWQJLEL-LLVKDONJSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1ccc(C)c(-c2nnn[n-]2)n1 ZINC001604066651 1350845655 /nfs/dbraw/zinc/84/56/55/1350845655.db2.gz ZAOPFVUALQQGPI-ZDUSSCGKSA-N -1 1 344.341 2.466 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1ccc(C)c(-c2nn[n-]n2)n1 ZINC001604066651 1350845658 /nfs/dbraw/zinc/84/56/58/1350845658.db2.gz ZAOPFVUALQQGPI-ZDUSSCGKSA-N -1 1 344.341 2.466 20 0 EEADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1OC ZINC001604145729 1350873473 /nfs/dbraw/zinc/87/34/73/1350873473.db2.gz ZLGNUYUCHJIIMQ-NSHDSACASA-N -1 1 339.421 2.196 20 0 EEADMM C[C@](NC(=O)c1cccc(Br)c1O)(C(=O)[O-])C1CC1 ZINC001604315622 1350913763 /nfs/dbraw/zinc/91/37/63/1350913763.db2.gz ZHPCZUKLIHKXNU-CYBMUJFWSA-N -1 1 328.162 2.138 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001604460631 1350942233 /nfs/dbraw/zinc/94/22/33/1350942233.db2.gz UAXSBXRKCNHWIN-AMIZOPFISA-N -1 1 334.294 2.182 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC001604494931 1350949770 /nfs/dbraw/zinc/94/97/70/1350949770.db2.gz SLURPUXLNJINGY-CRAIPNDOSA-N -1 1 334.391 2.332 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H](C)Cc2cccc(F)c2)n1 ZINC001604543182 1350958233 /nfs/dbraw/zinc/95/82/33/1350958233.db2.gz RPGLLVKCLDNWDG-NSHDSACASA-N -1 1 341.394 2.426 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H](C)Cc2cccc(F)c2)n1 ZINC001604543182 1350958236 /nfs/dbraw/zinc/95/82/36/1350958236.db2.gz RPGLLVKCLDNWDG-NSHDSACASA-N -1 1 341.394 2.426 20 0 EEADMM CCc1nc(N[C@@H]2CCc3ccc(F)cc32)cc(-c2nnn[n-]2)n1 ZINC001604562133 1350960802 /nfs/dbraw/zinc/96/08/02/1350960802.db2.gz LCGQFSGTPWEHPO-GFCCVEGCSA-N -1 1 325.351 2.458 20 0 EEADMM CCc1nc(N[C@@H]2CCc3ccc(F)cc32)cc(-c2nn[n-]n2)n1 ZINC001604562133 1350960805 /nfs/dbraw/zinc/96/08/05/1350960805.db2.gz LCGQFSGTPWEHPO-GFCCVEGCSA-N -1 1 325.351 2.458 20 0 EEADMM CCc1nc(Sc2ccc(C(=O)OC)cc2)cc(-c2nnn[n-]2)n1 ZINC001604570729 1350962817 /nfs/dbraw/zinc/96/28/17/1350962817.db2.gz KWLNGYWOENFTDD-UHFFFAOYSA-N -1 1 342.384 2.157 20 0 EEADMM CCc1nc(Sc2ccc(C(=O)OC)cc2)cc(-c2nn[n-]n2)n1 ZINC001604570729 1350962819 /nfs/dbraw/zinc/96/28/19/1350962819.db2.gz KWLNGYWOENFTDD-UHFFFAOYSA-N -1 1 342.384 2.157 20 0 EEADMM C[C@]1(CO)CCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001604582518 1350964896 /nfs/dbraw/zinc/96/48/96/1350964896.db2.gz FHSABILOBZIYFR-CQSZACIVSA-N -1 1 328.206 2.494 20 0 EEADMM CCn1c2ccccc2nc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001604597156 1350967527 /nfs/dbraw/zinc/96/75/27/1350967527.db2.gz YXQLXJVAJAQIAT-JTQLQIEISA-N -1 1 335.375 2.199 20 0 EEADMM CCn1c2ccccc2nc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001604597156 1350967528 /nfs/dbraw/zinc/96/75/28/1350967528.db2.gz YXQLXJVAJAQIAT-JTQLQIEISA-N -1 1 335.375 2.199 20 0 EEADMM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)c1cccc(F)c1O ZINC001604625329 1350972231 /nfs/dbraw/zinc/97/22/31/1350972231.db2.gz XJDVSPFMYZEPTH-MRVPVSSYSA-N -1 1 344.298 2.217 20 0 EEADMM CN(C(=O)c1cnc2ccsc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604662811 1350979967 /nfs/dbraw/zinc/97/99/67/1350979967.db2.gz UNIYTXSLILHAOK-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001604718460 1350991170 /nfs/dbraw/zinc/99/11/70/1350991170.db2.gz WPJGFABFSSJMEQ-HBUWYVDXSA-N -1 1 333.432 2.151 20 0 EEADMM C[C@H]1CN(C(=O)[C@H]2CCSc3ccccc32)CCN1CCC(=O)[O-] ZINC001604770924 1351000274 /nfs/dbraw/zinc/00/02/74/1351000274.db2.gz JAUSMNYHWGADOR-ZFWWWQNUSA-N -1 1 348.468 2.273 20 0 EEADMM C[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)[C@@]12C[C@@H]1CCCC2 ZINC001604790408 1351004674 /nfs/dbraw/zinc/00/46/74/1351004674.db2.gz KOQHGJOFPSYNOU-ZXFNITATSA-N -1 1 337.464 2.146 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604823972 1351016034 /nfs/dbraw/zinc/01/60/34/1351016034.db2.gz PUPHWZAWJQZGME-UHFFFAOYSA-N -1 1 349.354 2.122 20 0 EEADMM CC[C@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccccc1OC ZINC001605091461 1351076588 /nfs/dbraw/zinc/07/65/88/1351076588.db2.gz LNMHBOUYESBPHT-GJZGRUSLSA-N -1 1 334.416 2.202 20 0 EEADMM COCc1ccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001605134089 1351085071 /nfs/dbraw/zinc/08/50/71/1351085071.db2.gz RXWSMIAVGUNRHL-UHFFFAOYSA-N -1 1 328.328 2.272 20 0 EEADMM COCc1ccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001605134089 1351085076 /nfs/dbraw/zinc/08/50/76/1351085076.db2.gz RXWSMIAVGUNRHL-UHFFFAOYSA-N -1 1 328.328 2.272 20 0 EEADMM CC[C@H]1[C@H](C)CCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001605152299 1351089451 /nfs/dbraw/zinc/08/94/51/1351089451.db2.gz SXJOKENWDMJJQE-DOMZBBRYSA-N -1 1 345.399 2.231 20 0 EEADMM CCCCCC[C@@](O)(CN1CC[S@@](=O)C(C)(C)CC1)C(=O)[O-] ZINC001605265826 1351119756 /nfs/dbraw/zinc/11/97/56/1351119756.db2.gz NOYQTJSILHMKOT-OPAMFIHVSA-N -1 1 333.494 2.006 20 0 EEADMM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605270065 1351121066 /nfs/dbraw/zinc/12/10/66/1351121066.db2.gz RARIRRWVCICRAB-LLVKDONJSA-N -1 1 338.371 2.088 20 0 EEADMM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605270065 1351121071 /nfs/dbraw/zinc/12/10/71/1351121071.db2.gz RARIRRWVCICRAB-LLVKDONJSA-N -1 1 338.371 2.088 20 0 EEADMM COc1ncc(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605346367 1351142228 /nfs/dbraw/zinc/14/22/28/1351142228.db2.gz AJLSQZNTGDYXAI-QFYYESIMSA-N -1 1 345.407 2.361 20 0 EEADMM CCNC(=O)C(C)(C)CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001605487180 1351169819 /nfs/dbraw/zinc/16/98/19/1351169819.db2.gz APMAXRPVTWYEEY-GFCCVEGCSA-N -1 1 330.787 2.357 20 0 EEADMM CCOC(=O)c1cccc2nc(NC(=O)c3cc(C(=O)[O-])co3)[nH]c21 ZINC001605574383 1351192874 /nfs/dbraw/zinc/19/28/74/1351192874.db2.gz QTDLHZFRDFXXPH-UHFFFAOYSA-N -1 1 343.295 2.283 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC(F)F ZINC001605667040 1351213988 /nfs/dbraw/zinc/21/39/88/1351213988.db2.gz ABPLBKVMYRKTNV-UHFFFAOYSA-N -1 1 325.706 2.409 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001605845683 1351234457 /nfs/dbraw/zinc/23/44/57/1351234457.db2.gz QBIOWCUCTCIPKI-NXEZZACHSA-N -1 1 331.376 2.438 20 0 EEADMM Cc1ccc(NCCN2c3ccccc3C[C@@H]2C)nc1-c1nnn[n-]1 ZINC001605873056 1351243082 /nfs/dbraw/zinc/24/30/82/1351243082.db2.gz ALOJQIITHDQQTK-ZDUSSCGKSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1ccc(NCCN2c3ccccc3C[C@@H]2C)nc1-c1nn[n-]n1 ZINC001605873056 1351243086 /nfs/dbraw/zinc/24/30/86/1351243086.db2.gz ALOJQIITHDQQTK-ZDUSSCGKSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC001605887336 1351246691 /nfs/dbraw/zinc/24/66/91/1351246691.db2.gz HAFJJQVWASLXSG-ZDUSSCGKSA-N -1 1 339.330 2.178 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)CO2 ZINC001605887336 1351246693 /nfs/dbraw/zinc/24/66/93/1351246693.db2.gz HAFJJQVWASLXSG-ZDUSSCGKSA-N -1 1 339.330 2.178 20 0 EEADMM Cc1ccc2c(ccc(C)c2Cn2cncc(-c3nn[n-]n3)c2=O)c1 ZINC001605888041 1351246836 /nfs/dbraw/zinc/24/68/36/1351246836.db2.gz VXLHTBFWCATEEU-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H](C)SCc2ccccc2)c1-c1nn[n-]n1 ZINC001606013185 1351263792 /nfs/dbraw/zinc/26/37/92/1351263792.db2.gz GMIXCKSPZMDXSF-JTQLQIEISA-N -1 1 343.416 2.159 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(F)cc3ccoc32)c1-c1nnn[n-]1 ZINC001606112725 1351272731 /nfs/dbraw/zinc/27/27/31/1351272731.db2.gz OHRKRYHDDYJAOJ-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(F)cc3ccoc32)c1-c1nn[n-]n1 ZINC001606112725 1351272735 /nfs/dbraw/zinc/27/27/35/1351272735.db2.gz OHRKRYHDDYJAOJ-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Clc1sc(N2CCOC3(CCCC3)C2)nc1-c1nn[n-]n1 ZINC001606200995 1351284794 /nfs/dbraw/zinc/28/47/94/1351284794.db2.gz ODFTZVIGLZTCMW-UHFFFAOYSA-N -1 1 326.813 2.126 20 0 EEADMM CNC(=O)CC[C@@H]1CCCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001606267881 1351287902 /nfs/dbraw/zinc/28/79/02/1351287902.db2.gz QUXZGNGUDWVXMS-MNOVXSKESA-N -1 1 325.434 2.283 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001606297505 1351290277 /nfs/dbraw/zinc/29/02/77/1351290277.db2.gz XOOSDTHYWPKHPG-LLVKDONJSA-N -1 1 331.330 2.335 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001606297505 1351290279 /nfs/dbraw/zinc/29/02/79/1351290279.db2.gz XOOSDTHYWPKHPG-LLVKDONJSA-N -1 1 331.330 2.335 20 0 EEADMM O=C([O-])c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)ccn1 ZINC001606466663 1351306335 /nfs/dbraw/zinc/30/63/35/1351306335.db2.gz XUEQBIWAUPUYEI-UHFFFAOYSA-N -1 1 342.742 2.498 20 0 EEADMM COC(=O)C[C@H](Cc1ccccc1)NCc1ncc(C(=O)[O-])s1 ZINC001606479129 1351307780 /nfs/dbraw/zinc/30/77/80/1351307780.db2.gz SDGWPHKCJBFFBC-LBPRGKRZSA-N -1 1 334.397 2.105 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc2cncn2c1 ZINC001606580652 1351325785 /nfs/dbraw/zinc/32/57/85/1351325785.db2.gz AFIALXGNPOWCMF-UHFFFAOYSA-N -1 1 339.307 2.071 20 0 EEADMM O=C(Cc1ccc2c(c1)CCC2)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606599775 1351330153 /nfs/dbraw/zinc/33/01/53/1351330153.db2.gz HYRUKDAIUTZAAP-UHFFFAOYSA-N -1 1 341.396 2.098 20 0 EEADMM O=C(Cc1ccc2c(c1)CCC2)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606599775 1351330156 /nfs/dbraw/zinc/33/01/56/1351330156.db2.gz HYRUKDAIUTZAAP-UHFFFAOYSA-N -1 1 341.396 2.098 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCC[C@@](C)(C(=O)[O-])C3)nc2c1 ZINC001606605415 1351330543 /nfs/dbraw/zinc/33/05/43/1351330543.db2.gz GXGGSZFKXUTLRL-QGZVFWFLSA-N -1 1 331.372 2.036 20 0 EEADMM O=C(NC1(C(F)F)CCCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606640966 1351335812 /nfs/dbraw/zinc/33/58/12/1351335812.db2.gz KXRSHGBPJMNRFP-UHFFFAOYSA-N -1 1 342.737 2.223 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCC1 ZINC001606842066 1351365976 /nfs/dbraw/zinc/36/59/76/1351365976.db2.gz FTUJEIGKRWKNKJ-UHFFFAOYSA-N -1 1 348.410 2.291 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCC1 ZINC001606842066 1351365978 /nfs/dbraw/zinc/36/59/78/1351365978.db2.gz FTUJEIGKRWKNKJ-UHFFFAOYSA-N -1 1 348.410 2.291 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606868597 1351368389 /nfs/dbraw/zinc/36/83/89/1351368389.db2.gz JLMJFJULQDLRLD-ZIAGYGMSSA-N -1 1 334.383 2.328 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606868597 1351368393 /nfs/dbraw/zinc/36/83/93/1351368393.db2.gz JLMJFJULQDLRLD-ZIAGYGMSSA-N -1 1 334.383 2.328 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc(O)ccc1Cl ZINC001606892605 1351371056 /nfs/dbraw/zinc/37/10/56/1351371056.db2.gz QPYYEKHWIAJSAL-UHFFFAOYSA-N -1 1 345.750 2.079 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606920969 1351376569 /nfs/dbraw/zinc/37/65/69/1351376569.db2.gz MWBYVTASGUGCRF-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ccc(Cl)c(Cl)n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606920969 1351376573 /nfs/dbraw/zinc/37/65/73/1351376573.db2.gz MWBYVTASGUGCRF-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1noc2c1CCCC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606954664 1351384041 /nfs/dbraw/zinc/38/40/41/1351384041.db2.gz VDEHUSZDDGWSJC-UHFFFAOYSA-N -1 1 349.354 2.467 20 0 EEADMM O=C(OCc1cnc2ccccc2c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606984636 1351392333 /nfs/dbraw/zinc/39/23/33/1351392333.db2.gz HOOYKNCKSCFFCB-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cnc2ccccc2c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606984636 1351392335 /nfs/dbraw/zinc/39/23/35/1351392335.db2.gz HOOYKNCKSCFFCB-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=Cc1ccc(Oc2nnccc2-c2nnn[n-]2)c(Br)c1 ZINC001607056401 1351405015 /nfs/dbraw/zinc/40/50/15/1351405015.db2.gz DKMCOYZKTRYKIM-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2nnccc2-c2nn[n-]n2)c(Br)c1 ZINC001607056401 1351405017 /nfs/dbraw/zinc/40/50/17/1351405017.db2.gz DKMCOYZKTRYKIM-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(Cl)cc1F)CCC2 ZINC001607088794 1351413570 /nfs/dbraw/zinc/41/35/70/1351413570.db2.gz BJGDSGUPXCGFGH-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O=c1cc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c2ccccc2[nH]1 ZINC001607091765 1351414835 /nfs/dbraw/zinc/41/48/35/1351414835.db2.gz UKYBZXVHKLPQNS-UHFFFAOYSA-N -1 1 347.294 2.431 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607128808 1351431005 /nfs/dbraw/zinc/43/10/05/1351431005.db2.gz HCDIKJDIDBKQKY-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607128808 1351431010 /nfs/dbraw/zinc/43/10/10/1351431010.db2.gz HCDIKJDIDBKQKY-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM c1nc2ccccc2n1C[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001607131690 1351433206 /nfs/dbraw/zinc/43/32/06/1351433206.db2.gz INWAVGWUFMKKOJ-AWEZNQCLSA-N -1 1 346.398 2.280 20 0 EEADMM c1nc2ccccc2n1C[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001607131690 1351433208 /nfs/dbraw/zinc/43/32/08/1351433208.db2.gz INWAVGWUFMKKOJ-AWEZNQCLSA-N -1 1 346.398 2.280 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)c(C(=O)[O-])c1 ZINC001607276043 1351463138 /nfs/dbraw/zinc/46/31/38/1351463138.db2.gz SVMAEHXPSJZCHC-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C(=O)[O-])C1CCCCC1 ZINC001607337820 1351477366 /nfs/dbraw/zinc/47/73/66/1351477366.db2.gz FUJDGORGFGRZGD-FZKQIMNGSA-N -1 1 348.443 2.496 20 0 EEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001607483667 1351501442 /nfs/dbraw/zinc/50/14/42/1351501442.db2.gz DLDWBEXTJZOVMF-UHFFFAOYSA-N -1 1 339.355 2.227 20 0 EEADMM Cc1cc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)[nH]c1C(=O)[O-] ZINC001607648465 1351533004 /nfs/dbraw/zinc/53/30/04/1351533004.db2.gz ROEIKEDLEPVFEW-ZDUSSCGKSA-N -1 1 349.337 2.195 20 0 EEADMM Cc1ccc(CN2CCN(c3cnccn3)[C@H](C)C2)cc1C(=O)[O-] ZINC001607781245 1351557575 /nfs/dbraw/zinc/55/75/75/1351557575.db2.gz LRWPSLYUEJSYKN-CQSZACIVSA-N -1 1 326.400 2.194 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC(C)(C(=O)[O-])C2)c1 ZINC001607850985 1351571197 /nfs/dbraw/zinc/57/11/97/1351571197.db2.gz WQJMVIOQHACVPX-MRXNPFEDSA-N -1 1 330.428 2.283 20 0 EEADMM Cc1cn(C)nc1CN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001607901040 1351582507 /nfs/dbraw/zinc/58/25/07/1351582507.db2.gz IEFJRISOZNIMDO-UONOGXRCSA-N -1 1 335.354 2.307 20 0 EEADMM Cn1nc(C(F)(F)F)cc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001608145814 1351634208 /nfs/dbraw/zinc/63/42/08/1351634208.db2.gz SLWKKFSTWWELMR-LBPRGKRZSA-N -1 1 329.278 2.060 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)s1 ZINC001608465833 1351700250 /nfs/dbraw/zinc/70/02/50/1351700250.db2.gz FQQPWYGZELDMFJ-UHFFFAOYSA-N -1 1 328.353 2.161 20 0 EEADMM O=C(c1ccccc1Oc1cccnc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001632986369 1352603794 /nfs/dbraw/zinc/60/37/94/1352603794.db2.gz GZQSUDFEKNMTEL-LBPRGKRZSA-N -1 1 336.355 2.017 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1nc(C2CC2)cs1 ZINC001633820761 1352618381 /nfs/dbraw/zinc/61/83/81/1352618381.db2.gz WXYSEWCKBJXOKW-UHFFFAOYSA-N -1 1 342.384 2.365 20 0 EEADMM CS(=O)(=O)c1cccc(Cl)c1CNCC1(CC(=O)[O-])CCC1 ZINC001647157556 1353169304 /nfs/dbraw/zinc/16/93/04/1353169304.db2.gz QEPBJFSLUWGCHQ-UHFFFAOYSA-N -1 1 345.848 2.478 20 0 EEADMM O=C(C[C@H]1CCCC(=O)N1)Nc1ccc(Br)c([O-])c1 ZINC001647202659 1353185963 /nfs/dbraw/zinc/18/59/63/1353185963.db2.gz HWGIEQNLOWHPCP-MRVPVSSYSA-N -1 1 327.178 2.152 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H](O)C1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001647458269 1353284954 /nfs/dbraw/zinc/28/49/54/1353284954.db2.gz VWFLPXVXTMEDTL-DOMZBBRYSA-N -1 1 330.388 2.251 20 0 EEADMM C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649751992 1353585082 /nfs/dbraw/zinc/58/50/82/1353585082.db2.gz INFKFLVCLHSIKC-BLVKFPJESA-N -1 1 344.363 2.378 20 0 EEADMM O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1c[n-][nH]c1=O ZINC001654603192 1354153927 /nfs/dbraw/zinc/15/39/27/1354153927.db2.gz DBNRIYNWDGFTCT-UHFFFAOYSA-N -1 1 333.735 2.390 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@]1(C)CC ZINC001388576527 1387565043 /nfs/dbraw/zinc/56/50/43/1387565043.db2.gz WDDPTLYWGFKARG-UGSOOPFHSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001388735580 1387684420 /nfs/dbraw/zinc/68/44/20/1387684420.db2.gz AIZROUOOXPITOU-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CCCC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001388982383 1387859851 /nfs/dbraw/zinc/85/98/51/1387859851.db2.gz YRUHNAQWMHWWRJ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM COc1cc(OC)nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n1 ZINC001189230913 1368342700 /nfs/dbraw/zinc/34/27/00/1368342700.db2.gz LYZKREYLSAUFCL-UHFFFAOYSA-N -1 1 343.261 2.471 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cnn3ccc(Cl)nc23)c(OC)c1 ZINC001190110097 1368394754 /nfs/dbraw/zinc/39/47/54/1368394754.db2.gz GPPBUQZYEFXQQA-UHFFFAOYSA-N -1 1 348.746 2.358 20 0 EEADMM CCCC[C@@H]([N-]S(=O)(=O)c1sc(Cl)nc1C)C(=O)OC ZINC001201768123 1368842110 /nfs/dbraw/zinc/84/21/10/1368842110.db2.gz UZAYDURUQSJRCO-MRVPVSSYSA-N -1 1 340.854 2.115 20 0 EEADMM CCCCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001488712521 1369051900 /nfs/dbraw/zinc/05/19/00/1369051900.db2.gz GOCLDQGTBSNHFC-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CCC1(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])CCC1 ZINC001488785355 1369067922 /nfs/dbraw/zinc/06/79/22/1369067922.db2.gz WPATVUZOMKAZHX-OLZOCXBDSA-N -1 1 333.432 2.381 20 0 EEADMM CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001488913577 1369098355 /nfs/dbraw/zinc/09/83/55/1369098355.db2.gz HBXDSDVPOAHMHA-VHDGCEQUSA-N -1 1 345.443 2.190 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)cc2)o1 ZINC000107700609 1369150132 /nfs/dbraw/zinc/15/01/32/1369150132.db2.gz CNCQLZKFUQNHHO-UHFFFAOYSA-N -1 1 341.360 2.419 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c1Cl ZINC000111350223 1369336831 /nfs/dbraw/zinc/33/68/31/1369336831.db2.gz ISGAHSUWVATEQB-NSHDSACASA-N -1 1 325.821 2.082 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](N2CCOC2=O)C1 ZINC000855511396 1369393420 /nfs/dbraw/zinc/39/34/20/1369393420.db2.gz WXCPBEOQSLONOT-CQSZACIVSA-N -1 1 326.352 2.212 20 0 EEADMM CC(=O)NCCCCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069647942 1370215685 /nfs/dbraw/zinc/21/56/85/1370215685.db2.gz YDSCFIRWGPQMIT-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CCC1CCCC1 ZINC001071952328 1370585538 /nfs/dbraw/zinc/58/55/38/1370585538.db2.gz KSWGVRQNVOQTRN-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000782518037 1371307343 /nfs/dbraw/zinc/30/73/43/1371307343.db2.gz SWHJULBRYCCLDM-SSDOTTSWSA-N -1 1 333.763 2.329 20 0 EEADMM O=C(/C=C/SCc1ccco1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831140458 1372367896 /nfs/dbraw/zinc/36/78/96/1372367896.db2.gz XKWXOCXUVHJKPX-HWKANZROSA-N -1 1 348.346 2.163 20 0 EEADMM Oc1cccnc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001138392854 1372390616 /nfs/dbraw/zinc/39/06/16/1372390616.db2.gz NQDMADGPIVDEBF-QXAKKESOSA-N -1 1 341.411 2.131 20 0 EEADMM CC(C)NC(=O)COC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000835151074 1372596420 /nfs/dbraw/zinc/59/64/20/1372596420.db2.gz BUIWZOAYJJPKGU-UHFFFAOYSA-N -1 1 344.367 2.053 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H](OC)C1CCCC1)C(C)(C)C ZINC000849381101 1373253090 /nfs/dbraw/zinc/25/30/90/1373253090.db2.gz LKXVKDQMTZOZFT-ZIAGYGMSSA-N -1 1 349.493 2.089 20 0 EEADMM O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001362007851 1373360240 /nfs/dbraw/zinc/36/02/40/1373360240.db2.gz JMNABEJPXNWUTJ-UHFFFAOYSA-N -1 1 345.786 2.039 20 0 EEADMM CSc1ncc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(=O)[n-]1 ZINC001362474685 1373420290 /nfs/dbraw/zinc/42/02/90/1373420290.db2.gz YGYYFAGADKCVIP-YRGRVCCFSA-N -1 1 327.409 2.220 20 0 EEADMM CC(C)[C@@H](C(=O)Nc1c[n-][nH]c1=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001363708678 1373545795 /nfs/dbraw/zinc/54/57/95/1373545795.db2.gz OEFMOTFVVITMDZ-GXSJLCMTSA-N -1 1 326.397 2.239 20 0 EEADMM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001364019757 1373572509 /nfs/dbraw/zinc/57/25/09/1373572509.db2.gz FOMWTTFBSNHMAS-UHFFFAOYSA-N -1 1 325.336 2.434 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccc(Cl)cc2F)sn1 ZINC001364024112 1373573215 /nfs/dbraw/zinc/57/32/15/1373573215.db2.gz KFUKKOAYTYQHKZ-UHFFFAOYSA-N -1 1 348.808 2.405 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001371798045 1375636784 /nfs/dbraw/zinc/63/67/84/1375636784.db2.gz MFAYSSUFDIVJOG-OLZOCXBDSA-N -1 1 333.432 2.189 20 0 EEADMM CCC[C@H](C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1)C(C)C ZINC001371973179 1375688364 /nfs/dbraw/zinc/68/83/64/1375688364.db2.gz VXRNBZZBZHKOBV-AWEZNQCLSA-N -1 1 333.432 2.144 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)CCCF ZINC001372210642 1375858500 /nfs/dbraw/zinc/85/85/00/1375858500.db2.gz LDQWHXLEFUWNOQ-OLZOCXBDSA-N -1 1 337.395 2.036 20 0 EEADMM O=C(CCCC1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ncccc1[O-])C2 ZINC001372471499 1376026060 /nfs/dbraw/zinc/02/60/60/1376026060.db2.gz VFYAQUSCARSHOV-GASCZTMLSA-N -1 1 343.427 2.183 20 0 EEADMM Cc1ccc(CN2CCN(C(=O)c3ncccc3[O-])CC2)cc1C ZINC001374280685 1376642502 /nfs/dbraw/zinc/64/25/02/1376642502.db2.gz FJLHFPVKBCCQKW-UHFFFAOYSA-N -1 1 325.412 2.362 20 0 EEADMM CC(C)[C@@H](CNC(=O)C1CCCCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001374425129 1376803021 /nfs/dbraw/zinc/80/30/21/1376803021.db2.gz DMZINAJQCVPBMV-CQSZACIVSA-N -1 1 337.468 2.101 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CCC(C)(C)C1 ZINC001375059714 1377327448 /nfs/dbraw/zinc/32/74/48/1377327448.db2.gz NDBDGRSQJQQLNK-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)CC(=O)NCC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001390323694 1388578024 /nfs/dbraw/zinc/57/80/24/1388578024.db2.gz PAIBSUOOQBANFR-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCC1(C(=O)N(C)C2CCC(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001380513040 1381263525 /nfs/dbraw/zinc/26/35/25/1381263525.db2.gz XMJMIGIKFJOYQS-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(F)c(C)c1)NC(=O)c1ncccc1[O-] ZINC001390642064 1388714480 /nfs/dbraw/zinc/71/44/80/1388714480.db2.gz SWIKCPXLPQVHFZ-ZDUSSCGKSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@H](NC(=O)C(C)(C)C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001383378467 1382466192 /nfs/dbraw/zinc/46/61/92/1382466192.db2.gz YHVZTZPWWCMXPW-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM CN(C(=O)c1ccccc1)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001383588425 1382579597 /nfs/dbraw/zinc/57/95/97/1382579597.db2.gz NSTUXTSHNIHSCB-HNNXBMFYSA-N -1 1 339.395 2.068 20 0 EEADMM Cc1sccc1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001383699476 1382646283 /nfs/dbraw/zinc/64/62/83/1382646283.db2.gz GXQVRKSMYBLOOZ-JTQLQIEISA-N -1 1 333.413 2.048 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001383706360 1382650244 /nfs/dbraw/zinc/65/02/44/1382650244.db2.gz WVACZZWZSINBQD-HZSPNIEDSA-N -1 1 347.459 2.436 20 0 EEADMM CC[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387554980 1386834987 /nfs/dbraw/zinc/83/49/87/1386834987.db2.gz NQLPSWPHUGGFSX-HIFRSBDPSA-N -1 1 341.411 2.421 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)C1CCC(C)(C)CC1 ZINC001387695445 1386947019 /nfs/dbraw/zinc/94/70/19/1386947019.db2.gz HEQMJNWBLZOQGM-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC1(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001391241647 1389160831 /nfs/dbraw/zinc/16/08/31/1389160831.db2.gz HVKCEPALSKMIEL-CYBMUJFWSA-N -1 1 333.432 2.240 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001391779953 1389595612 /nfs/dbraw/zinc/59/56/12/1389595612.db2.gz MQDTXJCZCWVPFP-CYBMUJFWSA-N -1 1 349.479 2.245 20 0 EEADMM C[C@@H](NC(=O)CC1CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001395267896 1390809794 /nfs/dbraw/zinc/80/97/94/1390809794.db2.gz PMJNEEGBZWVYRY-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(CC)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001396301790 1390935775 /nfs/dbraw/zinc/93/57/75/1390935775.db2.gz UBMKRPJYUVEVDF-MGPQQGTHSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396955645 1390995012 /nfs/dbraw/zinc/99/50/12/1390995012.db2.gz XBBHVSXYCHRUFY-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001398830999 1394212901 /nfs/dbraw/zinc/21/29/01/1394212901.db2.gz PRJFIUXMAVLPGL-STQMWFEESA-N -1 1 331.416 2.039 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001399965698 1395752121 /nfs/dbraw/zinc/75/21/21/1395752121.db2.gz MAGDHMPZUZBHPO-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001424381548 1401081770 /nfs/dbraw/zinc/08/17/70/1401081770.db2.gz ILJBHCVMLGUNIS-CQSZACIVSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001425701205 1401746641 /nfs/dbraw/zinc/74/66/41/1401746641.db2.gz BZPRTJJKHDGZGJ-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)(CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001426843332 1402222146 /nfs/dbraw/zinc/22/21/46/1402222146.db2.gz NJXISPIODDYLOA-XBXGTLAGSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@H](C)CCC(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001431269163 1403015981 /nfs/dbraw/zinc/01/59/81/1403015981.db2.gz SWFBIGHXSCNYKV-LBPRGKRZSA-N -1 1 348.447 2.074 20 0 EEADMM CCC[C@](C)(CC)C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001432475041 1403244793 /nfs/dbraw/zinc/24/47/93/1403244793.db2.gz JFVPWSBGLJVFBY-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)(C(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001432638549 1403259514 /nfs/dbraw/zinc/25/95/14/1403259514.db2.gz IDPUWFDUCHPNNY-LJQANCHMSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@H](CNC(=O)CC1(C)CC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576801087 1403607041 /nfs/dbraw/zinc/60/70/41/1403607041.db2.gz DPMFRTZWPLWBTQ-SNVBAGLBSA-N -1 1 349.464 2.129 20 0 EEADMM COC(=O)c1ccc(NC[C@H]2C[C@@H]2C2CCCC2)c(-c2nnn[n-]2)n1 ZINC001579483638 1403784081 /nfs/dbraw/zinc/78/40/81/1403784081.db2.gz IGUSAYVTTANVRI-VXGBXAGGSA-N -1 1 342.403 2.287 20 0 EEADMM COC(=O)c1ccc(NC[C@H]2C[C@@H]2C2CCCC2)c(-c2nn[n-]n2)n1 ZINC001579483638 1403784091 /nfs/dbraw/zinc/78/40/91/1403784091.db2.gz IGUSAYVTTANVRI-VXGBXAGGSA-N -1 1 342.403 2.287 20 0 EEADMM COc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580064601 1403818662 /nfs/dbraw/zinc/81/86/62/1403818662.db2.gz XHASHTFHUOEIBZ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580064601 1403818669 /nfs/dbraw/zinc/81/86/69/1403818669.db2.gz XHASHTFHUOEIBZ-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001580075229 1403822164 /nfs/dbraw/zinc/82/21/64/1403822164.db2.gz UWJJHIDLLFJDCC-UONOGXRCSA-N -1 1 339.355 2.063 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001580075229 1403822177 /nfs/dbraw/zinc/82/21/77/1403822177.db2.gz UWJJHIDLLFJDCC-UONOGXRCSA-N -1 1 339.355 2.063 20 0 EEADMM CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590579268 1403887838 /nfs/dbraw/zinc/88/78/38/1403887838.db2.gz KDXQZTMDEHBCHY-SNVBAGLBSA-N -1 1 343.478 2.423 20 0 EEADMM CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590579268 1403887846 /nfs/dbraw/zinc/88/78/46/1403887846.db2.gz KDXQZTMDEHBCHY-SNVBAGLBSA-N -1 1 343.478 2.423 20 0 EEADMM CCOC(=O)C1CCC(Sc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001590758392 1403899526 /nfs/dbraw/zinc/89/95/26/1403899526.db2.gz UFJMPJTWIGIKTA-UHFFFAOYSA-N -1 1 333.417 2.476 20 0 EEADMM CCOC(=O)C1CCC(Sc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590758392 1403899531 /nfs/dbraw/zinc/89/95/31/1403899531.db2.gz UFJMPJTWIGIKTA-UHFFFAOYSA-N -1 1 333.417 2.476 20 0 EEADMM CCOc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc1 ZINC001590834942 1403901847 /nfs/dbraw/zinc/90/18/47/1403901847.db2.gz CGDAIIBJTYAGOZ-UHFFFAOYSA-N -1 1 339.359 2.118 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592456054 1404689871 /nfs/dbraw/zinc/68/98/71/1404689871.db2.gz FEUSWFSVKFHNHD-MRVPVSSYSA-N -1 1 340.391 2.355 20 0 EEADMM Cc1noc(C)c1[C@H](C)CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592456054 1404689886 /nfs/dbraw/zinc/68/98/86/1404689886.db2.gz FEUSWFSVKFHNHD-MRVPVSSYSA-N -1 1 340.391 2.355 20 0 EEADMM Cc1nnc(Oc2cccc(-c3nnco3)c2)c(-c2nnn[n-]2)c1C ZINC001592449206 1404690664 /nfs/dbraw/zinc/69/06/64/1404690664.db2.gz FOTWFPSYCZABST-UHFFFAOYSA-N -1 1 336.315 2.116 20 0 EEADMM Cc1nnc(Oc2cccc(-c3nnco3)c2)c(-c2nn[n-]n2)c1C ZINC001592449206 1404690677 /nfs/dbraw/zinc/69/06/77/1404690677.db2.gz FOTWFPSYCZABST-UHFFFAOYSA-N -1 1 336.315 2.116 20 0 EEADMM Cc1nsc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC001592481662 1404701693 /nfs/dbraw/zinc/70/16/93/1404701693.db2.gz GBWDROWJKDRXKP-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1nsc(NC(=O)c2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC001592481662 1404701699 /nfs/dbraw/zinc/70/16/99/1404701699.db2.gz GBWDROWJKDRXKP-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001592499727 1404703580 /nfs/dbraw/zinc/70/35/80/1404703580.db2.gz BGBYKOLDCQZRHA-UHFFFAOYSA-N -1 1 341.375 2.412 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C2CCCC2)nn1C ZINC001592499727 1404703583 /nfs/dbraw/zinc/70/35/83/1404703583.db2.gz BGBYKOLDCQZRHA-UHFFFAOYSA-N -1 1 341.375 2.412 20 0 EEADMM Cc1nsc(NCc2noc(-c3cccs3)n2)c1-c1nn[n-]n1 ZINC001592493603 1404703749 /nfs/dbraw/zinc/70/37/49/1404703749.db2.gz NTQIYGPIXPIAIQ-UHFFFAOYSA-N -1 1 346.401 2.355 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C2CCCC2)C1 ZINC001592914108 1404729197 /nfs/dbraw/zinc/72/91/97/1404729197.db2.gz XFCJNDVPQCFGMR-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C2CCCC2)C1 ZINC001592914108 1404729200 /nfs/dbraw/zinc/72/92/00/1404729200.db2.gz XFCJNDVPQCFGMR-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(Cn3cccc3)cc2)c1-c1nn[n-]n1 ZINC001606014740 1404754688 /nfs/dbraw/zinc/75/46/88/1404754688.db2.gz QBEWPTKEPFSISN-UHFFFAOYSA-N -1 1 348.370 2.000 20 0 EEADMM Cc1sc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc1C(C)C ZINC001606182388 1404774253 /nfs/dbraw/zinc/77/42/53/1404774253.db2.gz NCPYDMOPVAWFGI-UHFFFAOYSA-N -1 1 343.416 2.331 20 0 EEADMM Cc1sc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc1C(C)C ZINC001606182388 1404774257 /nfs/dbraw/zinc/77/42/57/1404774257.db2.gz NCPYDMOPVAWFGI-UHFFFAOYSA-N -1 1 343.416 2.331 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@H](Nc1ncncc1-c1nn[n-]n1)CC2 ZINC001606313182 1404788699 /nfs/dbraw/zinc/78/86/99/1404788699.db2.gz JUQWQBYPQCYHTN-SECBINFHSA-N -1 1 333.277 2.173 20 0 EEADMM Fc1ccccc1CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001606336107 1404797087 /nfs/dbraw/zinc/79/70/87/1404797087.db2.gz SRQXVKOFOSOPSL-UHFFFAOYSA-N -1 1 325.351 2.328 20 0 EEADMM Fc1ccccc1CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001606336107 1404797090 /nfs/dbraw/zinc/79/70/90/1404797090.db2.gz SRQXVKOFOSOPSL-UHFFFAOYSA-N -1 1 325.351 2.328 20 0 EEADMM CCOc1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000187042299 1406076402 /nfs/dbraw/zinc/07/64/02/1406076402.db2.gz JXBZOVCCVMTOOR-UHFFFAOYSA-N -1 1 343.339 2.293 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000405263324 1409791587 /nfs/dbraw/zinc/79/15/87/1409791587.db2.gz KEOXAKQXUWKBIO-UHFFFAOYSA-N -1 1 327.340 2.183 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC(C)(C)SC ZINC001771612221 1409882789 /nfs/dbraw/zinc/88/27/89/1409882789.db2.gz UURXNGCCTMCWDN-UHFFFAOYSA-N -1 1 325.402 2.393 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC001772332558 1410135803 /nfs/dbraw/zinc/13/58/03/1410135803.db2.gz ZNDVLBJABBWQEJ-ZDUSSCGKSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC001772332558 1410135806 /nfs/dbraw/zinc/13/58/06/1410135806.db2.gz ZNDVLBJABBWQEJ-ZDUSSCGKSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)CCCCC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167476890 759790117 /nfs/dbraw/zinc/79/01/17/759790117.db2.gz VCLOGYLHZVDVNY-UHFFFAOYSA-N -1 1 337.468 2.103 20 0 EEADMM CC(C)(C)[C@H](CNc1ncc(Cl)cn1)NC(=O)c1ncccc1[O-] ZINC001125858425 764993390 /nfs/dbraw/zinc/99/33/90/764993390.db2.gz ZSUNZCSOEDAOQY-LBPRGKRZSA-N -1 1 349.822 2.487 20 0 EEADMM COC(=O)[C@H]1CCC[C@@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227137977 782673867 /nfs/dbraw/zinc/67/38/67/782673867.db2.gz NIDWFMYLCPNROJ-JGVFFNPUSA-N -1 1 331.166 2.055 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417019 768919136 /nfs/dbraw/zinc/91/91/36/768919136.db2.gz UHBLATSJNUWHBE-OCCSQVGLSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1)C1CCC1 ZINC001089417019 768919141 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791624752 /nfs/dbraw/zinc/62/47/52/791624752.db2.gz KTFVXMFNVUULPN-ZYHUDNBSSA-N -1 1 347.806 2.193 20 0 EEADMM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000230626080 791720697 /nfs/dbraw/zinc/72/06/97/791720697.db2.gz TUKXEENRTFXWPG-RKDXNWHRSA-N -1 1 334.394 2.296 20 0 EEADMM Cc1cc(N[C@H](C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)ncn1 ZINC001063880532 791875877 /nfs/dbraw/zinc/87/58/77/791875877.db2.gz KGMPNWQDSMNJKG-KGLIPLIRSA-N -1 1 341.415 2.238 20 0 EEADMM Cc1ccnc(NC[C@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063938713 792002756 /nfs/dbraw/zinc/00/27/56/792002756.db2.gz QWMMBFKATAJSJM-OCCSQVGLSA-N -1 1 341.415 2.238 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1CNc1cncc(Cl)n1)c1ncccc1[O-] ZINC001064093965 792337528 /nfs/dbraw/zinc/33/75/28/792337528.db2.gz QIMMXVXYWRGKAF-WDEREUQCSA-N -1 1 347.806 2.241 20 0 EEADMM C[C@H]1COCC[C@H]1NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148995738 792817122 /nfs/dbraw/zinc/81/71/22/792817122.db2.gz GZLWJLAUPSHRBI-IONNQARKSA-N -1 1 330.178 2.015 20 0 EEADMM C[C@H](C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1)C1CCCC1 ZINC001064610341 793430299 /nfs/dbraw/zinc/43/02/99/793430299.db2.gz ASZBBHXFBQJJMR-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1C[C@@H](Nc2cncc(Cl)n2)CCN1C(=O)c1ncccc1[O-] ZINC001064764778 793689554 /nfs/dbraw/zinc/68/95/54/793689554.db2.gz BNKGUGGXFYBJMB-MNOVXSKESA-N -1 1 347.806 2.336 20 0 EEADMM CC(=O)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c(N)c3)cc21 ZINC001212419651 794059671 /nfs/dbraw/zinc/05/96/71/794059671.db2.gz WDUVTNAWVCJBSU-UHFFFAOYSA-N -1 1 344.396 2.388 20 0 EEADMM CCNc1ccc(Cl)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744778 794210309 /nfs/dbraw/zinc/21/03/09/794210309.db2.gz DGCYGEUIRGNDGB-UHFFFAOYSA-N -1 1 334.811 2.305 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654014 795056917 /nfs/dbraw/zinc/05/69/17/795056917.db2.gz GHWBPYHFTHESII-STQMWFEESA-N -1 1 333.432 2.142 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946533239 795528064 /nfs/dbraw/zinc/52/80/64/795528064.db2.gz NRQCYYXLJIMUKC-ZIAGYGMSSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535935 795586146 /nfs/dbraw/zinc/58/61/46/795586146.db2.gz NJIDUUVSMZZGFF-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1)C1CCCC1 ZINC000946535751 795587198 /nfs/dbraw/zinc/58/71/98/795587198.db2.gz KMBWGJDIWCIIBJ-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)C[C@H]1CC[C@H](C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080281555 795822316 /nfs/dbraw/zinc/82/23/16/795822316.db2.gz DIWUVZJWTOSXHY-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1nc2c(nc(Cl)nc2[N-]c2nccnc2CN)n1C(C)C ZINC001171441981 796156368 /nfs/dbraw/zinc/15/63/68/796156368.db2.gz YRHVTZZOAYLIMZ-UHFFFAOYSA-N -1 1 332.799 2.361 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)nc2F)CCO1 ZINC000867031598 796843576 /nfs/dbraw/zinc/84/35/76/796843576.db2.gz WMKJUJYYRWJPHZ-KOLCDFICSA-N -1 1 334.388 2.232 20 0 EEADMM O=C(CCCC1CC1)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082024132 797082697 /nfs/dbraw/zinc/08/26/97/797082697.db2.gz KJUYQUYKJHOMBC-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CS(=O)(=O)c1cccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)c1 ZINC001174027781 797685919 /nfs/dbraw/zinc/68/59/19/797685919.db2.gz ZEVBYBZYKAWRJN-UHFFFAOYSA-N -1 1 326.359 2.016 20 0 EEADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC001174073776 797691980 /nfs/dbraw/zinc/69/19/80/797691980.db2.gz WAXQVHBTSCWJMX-UHFFFAOYSA-N -1 1 345.428 2.423 20 0 EEADMM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001174279530 797726076 /nfs/dbraw/zinc/72/60/76/797726076.db2.gz DTCKATBEOMITJO-UHFFFAOYSA-N -1 1 346.368 2.123 20 0 EEADMM COC(=O)[N-]C(=S)N(c1ccnc(OC)c1)c1ccccc1N ZINC001174308190 797739649 /nfs/dbraw/zinc/73/96/49/797739649.db2.gz MLDVAUMVHMJIPA-UHFFFAOYSA-N -1 1 332.385 2.451 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C1CC2(CC2)C1 ZINC001002413391 798032848 /nfs/dbraw/zinc/03/28/48/798032848.db2.gz VFSCLXKDLXRSFC-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM O=C([O-])c1cccc(Nc2ccc(N3CCN(CCO)CC3)cc2)c1 ZINC001175329753 798078753 /nfs/dbraw/zinc/07/87/53/798078753.db2.gz UKJJAEBNMWCJQI-UHFFFAOYSA-N -1 1 341.411 2.243 20 0 EEADMM Nc1ccc(-c2nc([C@@H]3CC(=O)N(CC4CCC4)C3)no2)c([O-])c1 ZINC000843194059 798735799 /nfs/dbraw/zinc/73/57/99/798735799.db2.gz PKXYGCZHZNMNOC-LLVKDONJSA-N -1 1 328.372 2.140 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2ccc(C(F)(F)F)cn2)n1 ZINC001177152042 798777245 /nfs/dbraw/zinc/77/72/45/798777245.db2.gz YURGMMFGPOYJDY-UHFFFAOYSA-N -1 1 342.277 2.181 20 0 EEADMM C[C@@]1(CNc2ncncc2Cl)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065412506 799024514 /nfs/dbraw/zinc/02/45/14/799024514.db2.gz DXOAHDDDHCSBFQ-INIZCTEOSA-N -1 1 347.806 2.195 20 0 EEADMM Cc1cnc([C@H](C)NCCCCCCNC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001178209046 799340289 /nfs/dbraw/zinc/34/02/89/799340289.db2.gz DDINFBUMLJIWJB-ZDUSSCGKSA-N -1 1 349.435 2.361 20 0 EEADMM CCc1nsc(NC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001065839483 799619206 /nfs/dbraw/zinc/61/92/06/799619206.db2.gz WMKZRVHLTJKJDL-WDEREUQCSA-N -1 1 347.444 2.021 20 0 EEADMM CCN(CC)CC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001180389329 800391861 /nfs/dbraw/zinc/39/18/61/800391861.db2.gz HOLPMGLCYYXGCQ-UHFFFAOYSA-N -1 1 336.413 2.367 20 0 EEADMM CSc1nc(NC(=O)CCc2nc3ccccc3[nH]2)cc(=O)[n-]1 ZINC001180585765 800487974 /nfs/dbraw/zinc/48/79/74/800487974.db2.gz WWSZGPXCNJDJFR-UHFFFAOYSA-N -1 1 329.385 2.352 20 0 EEADMM CC(C)(C)O[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000827653564 800496653 /nfs/dbraw/zinc/49/66/53/800496653.db2.gz DGQGCNOWHRYULR-OAHLLOKOSA-N -1 1 343.431 2.462 20 0 EEADMM COc1ccc(CN2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])cc1 ZINC001085562758 800789082 /nfs/dbraw/zinc/78/90/82/800789082.db2.gz UIUKVBMFZJOALR-HNNXBMFYSA-N -1 1 341.411 2.142 20 0 EEADMM CN(C[C@@H]1CCN1Cc1ccncc1Cl)C(=O)c1ncccc1[O-] ZINC001085562761 800789751 /nfs/dbraw/zinc/78/97/51/800789751.db2.gz UJCDPZDIURPBHO-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)[C@@H]1C[C@]1(F)Cl)c1ccccc1N ZINC001181669303 800868455 /nfs/dbraw/zinc/86/84/55/800868455.db2.gz TVVSYAXZSCEQPE-WPPNPWJKSA-N -1 1 345.783 2.167 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)[C@@H]1C[C@]1(F)Cl)c1ccccc1N ZINC001181669303 800868460 /nfs/dbraw/zinc/86/84/60/800868460.db2.gz TVVSYAXZSCEQPE-WPPNPWJKSA-N -1 1 345.783 2.167 20 0 EEADMM CN(C)c1nc(NC(=O)Cc2cccc3[nH]ccc32)c(N=O)c(=O)[n-]1 ZINC001181721088 800879744 /nfs/dbraw/zinc/87/97/44/800879744.db2.gz MSHRXVHYPSGNGC-UHFFFAOYSA-N -1 1 340.343 2.309 20 0 EEADMM O=C(NCc1nn[n-]n1)[C@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC001182244329 801077371 /nfs/dbraw/zinc/07/73/71/801077371.db2.gz MIFCBHDXLDDTDT-HNNXBMFYSA-N -1 1 348.838 2.087 20 0 EEADMM Cc1cc2c(cc1C)[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CO2 ZINC000786964044 806949503 /nfs/dbraw/zinc/94/95/03/806949503.db2.gz USYLDQGKUQOAGX-GFCCVEGCSA-N -1 1 345.317 2.391 20 0 EEADMM CSc1nc(NC(=O)[C@H]2CCOc3ccccc3O2)cc(=O)[n-]1 ZINC001184703255 802138197 /nfs/dbraw/zinc/13/81/97/802138197.db2.gz GPXIXRCCCJURPY-LLVKDONJSA-N -1 1 333.369 2.073 20 0 EEADMM O=c1[nH]ncc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c1Cl ZINC001185097222 802331786 /nfs/dbraw/zinc/33/17/86/802331786.db2.gz XWPXAULNAOVIQX-UHFFFAOYSA-N -1 1 335.719 2.056 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001066519724 802888670 /nfs/dbraw/zinc/88/86/70/802888670.db2.gz YTQDRETXJSIVFR-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1conc1CN[C@H](C)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001004828001 802997262 /nfs/dbraw/zinc/99/72/62/802997262.db2.gz ZMBUUPMSPYIGOR-UKRRQHHQSA-N -1 1 344.415 2.257 20 0 EEADMM CC(C)[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066555133 803127301 /nfs/dbraw/zinc/12/73/01/803127301.db2.gz YLOHWDLHLJJVRP-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]CC(C)(C)c2ccc(F)cc2)c1Cl ZINC000103161524 803707122 /nfs/dbraw/zinc/70/71/22/803707122.db2.gz UOPFSXJXZIRPTA-UHFFFAOYSA-N -1 1 345.827 2.469 20 0 EEADMM Cn1c(Cc2csc(NC(=O)c3ccccc3O)n2)n[n-]c1=S ZINC000103187822 803712939 /nfs/dbraw/zinc/71/29/39/803712939.db2.gz XLEKFVDUINQFGE-UHFFFAOYSA-N -1 1 347.425 2.483 20 0 EEADMM CN(CCCNc1nc(C2CCC2)ns1)C(=O)c1ncccc1[O-] ZINC001109436670 805462367 /nfs/dbraw/zinc/46/23/67/805462367.db2.gz AWAHKSPILBUIOQ-UHFFFAOYSA-N -1 1 347.444 2.480 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000787412751 807105681 /nfs/dbraw/zinc/10/56/81/807105681.db2.gz QXOLVAPUSNMMMR-GFCCVEGCSA-N -1 1 334.759 2.475 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccn(CC(F)F)n2)c1 ZINC000789146997 807859313 /nfs/dbraw/zinc/85/93/13/807859313.db2.gz MPGIMXPZDYSWDO-UHFFFAOYSA-N -1 1 338.310 2.456 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccnc1-2 ZINC000791165992 809099365 /nfs/dbraw/zinc/09/93/65/809099365.db2.gz IZMVQMXIJPDWMV-NSHDSACASA-N -1 1 342.786 2.185 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1nc2ccccc2o1 ZINC001113575391 809273916 /nfs/dbraw/zinc/27/39/16/809273916.db2.gz URGZCOHLHVZBSU-NSHDSACASA-N -1 1 326.356 2.183 20 0 EEADMM COc1cc(C(F)(F)F)cc(Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001170222502 809840896 /nfs/dbraw/zinc/84/08/96/809840896.db2.gz FJFTXQJQESIHFZ-UHFFFAOYSA-N -1 1 326.238 2.225 20 0 EEADMM CSc1nc(Nc2[n-]c(=O)nc3nc[nH]c32)cc(C(F)F)n1 ZINC001170227415 809845617 /nfs/dbraw/zinc/84/56/17/809845617.db2.gz LWPLVBSVZSTKBZ-UHFFFAOYSA-N -1 1 325.304 2.252 20 0 EEADMM CCn1c(C2CC2)nnc1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000828506824 811050852 /nfs/dbraw/zinc/05/08/52/811050852.db2.gz QMZOXSSXTWWKSI-KOLCDFICSA-N -1 1 345.369 2.069 20 0 EEADMM CC[C@H](C)n1nc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1C ZINC000806487118 811896366 /nfs/dbraw/zinc/89/63/66/811896366.db2.gz QITJGIYMDKQBQP-JTQLQIEISA-N -1 1 327.392 2.462 20 0 EEADMM CN(C(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)c1nn[n-]n1 ZINC001130972177 812250266 /nfs/dbraw/zinc/25/02/66/812250266.db2.gz PSGQOQZLUDPOHY-AWEZNQCLSA-N -1 1 345.309 2.261 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1CC[C@@H](C)C1 ZINC000826233094 947681930 /nfs/dbraw/zinc/68/19/30/947681930.db2.gz UEDOJXSXBJIKSZ-BXKDBHETSA-N -1 1 345.403 2.249 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(F)c(C)c2)c1-c1nnn[n-]1 ZINC000826261581 947758613 /nfs/dbraw/zinc/75/86/13/947758613.db2.gz KMBZHBOSFIQZKR-VIFPVBQESA-N -1 1 344.350 2.031 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(F)c(C)c2)c1-c1nn[n-]n1 ZINC000826261581 947758616 /nfs/dbraw/zinc/75/86/16/947758616.db2.gz KMBZHBOSFIQZKR-VIFPVBQESA-N -1 1 344.350 2.031 20 0 EEADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CC(C)C)c1-c1nnn[n-]1 ZINC000826344956 948016305 /nfs/dbraw/zinc/01/63/05/948016305.db2.gz XVRZMZHFCTYLAB-GFCCVEGCSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCCC[C@@H]2CC(C)C)c1-c1nn[n-]n1 ZINC000826344956 948016309 /nfs/dbraw/zinc/01/63/09/948016309.db2.gz XVRZMZHFCTYLAB-GFCCVEGCSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)NCC2(CC(C)C)CCCC2)c1-c1nnn[n-]1 ZINC000826347252 948050674 /nfs/dbraw/zinc/05/06/74/948050674.db2.gz KJSDCYMRGQAYFG-UHFFFAOYSA-N -1 1 346.435 2.428 20 0 EEADMM Cc1onc(CC(=O)NCC2(CC(C)C)CCCC2)c1-c1nn[n-]n1 ZINC000826347252 948050688 /nfs/dbraw/zinc/05/06/88/948050688.db2.gz KJSDCYMRGQAYFG-UHFFFAOYSA-N -1 1 346.435 2.428 20 0 EEADMM O[C@@H](C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000826503313 948421152 /nfs/dbraw/zinc/42/11/52/948421152.db2.gz VCUNHBCYJMFGQO-YPMHNXCESA-N -1 1 342.428 2.416 20 0 EEADMM O[C@@H](C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000826503313 948421155 /nfs/dbraw/zinc/42/11/55/948421155.db2.gz VCUNHBCYJMFGQO-YPMHNXCESA-N -1 1 342.428 2.416 20 0 EEADMM CC(=O)Nc1cc(Br)ccc1CN1CC[C@H](C(=O)[O-])C1 ZINC001602761002 971486000 /nfs/dbraw/zinc/48/60/00/971486000.db2.gz ZRSGUAIDZMLAPC-NSHDSACASA-N -1 1 341.205 2.314 20 0 EEADMM CC(C)[C@@H](O)CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001574082836 948868888 /nfs/dbraw/zinc/86/88/88/948868888.db2.gz LHBWVFGNEWYDJY-JTQLQIEISA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)[C@@H](O)CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001574082836 948868892 /nfs/dbraw/zinc/86/88/92/948868892.db2.gz LHBWVFGNEWYDJY-JTQLQIEISA-N -1 1 330.314 2.099 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001570933273 948883272 /nfs/dbraw/zinc/88/32/72/948883272.db2.gz LIDWPDGZFWVHQX-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001570933273 948883286 /nfs/dbraw/zinc/88/32/86/948883286.db2.gz LIDWPDGZFWVHQX-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573873580 950649829 /nfs/dbraw/zinc/64/98/29/950649829.db2.gz RSSYYOFPKYSLRX-PHDIDXHHSA-N -1 1 342.812 2.119 20 0 EEADMM C[C@H]1CCc2sc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2C1 ZINC001576214419 950671526 /nfs/dbraw/zinc/67/15/26/950671526.db2.gz AGAGIYBSMLWRMX-QMMMGPOBSA-N -1 1 343.416 2.039 20 0 EEADMM C[C@H]1CCc2sc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2C1 ZINC001576214419 950671540 /nfs/dbraw/zinc/67/15/40/950671540.db2.gz AGAGIYBSMLWRMX-QMMMGPOBSA-N -1 1 343.416 2.039 20 0 EEADMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Br)[nH]n1 ZINC001595012285 951256283 /nfs/dbraw/zinc/25/62/83/951256283.db2.gz YAJREMRBCCPXQH-QMMMGPOBSA-N -1 1 330.182 2.032 20 0 EEADMM O=C([O-])CCCCNC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001595043144 951433438 /nfs/dbraw/zinc/43/34/38/951433438.db2.gz CRONFTHTJRUNCC-UHFFFAOYSA-N -1 1 342.399 2.301 20 0 EEADMM CC(C)(CCNC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001602943428 971912203 /nfs/dbraw/zinc/91/22/03/971912203.db2.gz IVLGUOWWPLNCEI-UHFFFAOYSA-N -1 1 330.178 2.385 20 0 EEADMM CCS(=O)(=O)c1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001593369702 953361949 /nfs/dbraw/zinc/36/19/49/953361949.db2.gz UETUAXLRVQMTKR-WFASDCNBSA-N -1 1 325.430 2.165 20 0 EEADMM O=C([O-])[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)Cc2ccccc21 ZINC001594953813 954969631 /nfs/dbraw/zinc/96/96/31/954969631.db2.gz OTAYNQISGGTKQW-NKKGCODLSA-N -1 1 328.412 2.118 20 0 EEADMM COCCN(CC(=O)[O-])Cc1cccc(F)c1OC(F)(F)F ZINC000901587625 956356624 /nfs/dbraw/zinc/35/66/24/956356624.db2.gz WZISRVNNAJLBLO-UHFFFAOYSA-N -1 1 325.258 2.257 20 0 EEADMM O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)co1 ZINC000901797246 956474149 /nfs/dbraw/zinc/47/41/49/956474149.db2.gz CUSWBLOIGHYNEO-MWWKQMNYSA-N -1 1 340.379 2.382 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCCC[C@H]1CCSS1 ZINC000139236319 958964106 /nfs/dbraw/zinc/96/41/06/958964106.db2.gz YQEZPKFUEZIWIV-RYUDHWBXSA-N -1 1 343.474 2.236 20 0 EEADMM CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1(C)C ZINC000392374413 972476516 /nfs/dbraw/zinc/47/65/16/972476516.db2.gz BBDQTQWLUBSRRJ-RDTXWAMCSA-N -1 1 334.416 2.175 20 0 EEADMM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)cc2[nH]1 ZINC000392402906 972479672 /nfs/dbraw/zinc/47/96/72/972479672.db2.gz STMKOGCIIDCUKK-OLZOCXBDSA-N -1 1 331.372 2.431 20 0 EEADMM COc1ccc(OC)c(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198773051 960584534 /nfs/dbraw/zinc/58/45/34/960584534.db2.gz QDKRCCKODXSSEF-UHFFFAOYSA-N -1 1 337.353 2.203 20 0 EEADMM CC(C)(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000262122525 961478027 /nfs/dbraw/zinc/47/80/27/961478027.db2.gz NKDCYZNMPIEWLI-JKSUJKDBSA-N -1 1 330.428 2.050 20 0 EEADMM COc1nsc(CN2CCC([C@H]3CCCO3)CC2)c1C(=O)[O-] ZINC001571173392 962071168 /nfs/dbraw/zinc/07/11/68/962071168.db2.gz SDMMYFYFFUCUIE-LLVKDONJSA-N -1 1 326.418 2.241 20 0 EEADMM C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1nnc(C(F)(F)F)[n-]1 ZINC001571228904 962610281 /nfs/dbraw/zinc/61/02/81/962610281.db2.gz LMVNZQMAMAKKNT-RFZPGFLSSA-N -1 1 335.311 2.390 20 0 EEADMM C[C@H](C(=O)Nc1nccs1)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549036715 962932983 /nfs/dbraw/zinc/93/29/83/962932983.db2.gz MQHKHUCSDIRHAS-KWCYVHTRSA-N -1 1 345.424 2.270 20 0 EEADMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000314239681 963729240 /nfs/dbraw/zinc/72/92/40/963729240.db2.gz PBJQRZLIIHKVGN-UHFFFAOYSA-N -1 1 342.354 2.464 20 0 EEADMM Cc1cc(C)nc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC000319740118 970566879 /nfs/dbraw/zinc/56/68/79/970566879.db2.gz XTLDZBWQCUDCIY-UHFFFAOYSA-N -1 1 339.348 2.040 20 0 EEADMM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1)C1CC1 ZINC001605900504 972723494 /nfs/dbraw/zinc/72/34/94/972723494.db2.gz CYCXSIRXDOAKIN-CYBMUJFWSA-N -1 1 337.339 2.069 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CCCO1 ZINC001605937312 972880085 /nfs/dbraw/zinc/88/00/85/972880085.db2.gz DOFPVIAVRRAPFD-QGZVFWFLSA-N -1 1 329.356 2.403 20 0 EEADMM COCCN(CCC(=O)[O-])C(=O)c1c(O)cc(Cl)cc1Cl ZINC001604600873 973709600 /nfs/dbraw/zinc/70/96/00/973709600.db2.gz ZGVAVRXHBVEMJX-UHFFFAOYSA-N -1 1 336.171 2.262 20 0 EEADMM CCn1c(C)cc2[nH]nc(NC(=O)c3cccc(C(=O)[O-])c3)c2c1=O ZINC001604003206 974507303 /nfs/dbraw/zinc/50/73/03/974507303.db2.gz QOCONHXNMREELQ-UHFFFAOYSA-N -1 1 340.339 2.003 20 0 EEADMM CC(C)Oc1c(NC(=O)[C@@H]2CCCc3n[nH]nc32)cccc1C(=O)[O-] ZINC001591741309 975752076 /nfs/dbraw/zinc/75/20/76/975752076.db2.gz FJMAQCMUNOGJAG-SNVBAGLBSA-N -1 1 344.371 2.349 20 0 EEADMM CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001591801265 976017042 /nfs/dbraw/zinc/01/70/42/976017042.db2.gz NTRQBTVRDLYZEY-HVEKOLDVSA-N -1 1 347.411 2.471 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)NCCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000704726732 977246450 /nfs/dbraw/zinc/24/64/50/977246450.db2.gz LRZWBXLGMZXCKQ-KRWDZBQOSA-N -1 1 347.459 2.403 20 0 EEADMM CC(C)(C)S(=O)(=O)CCCN(CC(=O)[O-])Cc1ccccc1 ZINC000718732745 977975990 /nfs/dbraw/zinc/97/59/90/977975990.db2.gz HWUNZYAMMODHFD-UHFFFAOYSA-N -1 1 327.446 2.177 20 0 EEADMM C[C@@H]1CN(Cc2cncc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000721596607 978120930 /nfs/dbraw/zinc/12/09/30/978120930.db2.gz BGXGVMVTLOFNLR-OAHLLOKOSA-N -1 1 325.412 2.486 20 0 EEADMM C[C@](CCF)(NCC(=O)Nc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001592497387 978299182 /nfs/dbraw/zinc/29/91/82/978299182.db2.gz HXGLVWGKKQIYNC-CQSZACIVSA-N -1 1 334.294 2.019 20 0 EEADMM O=C([O-])[C@H](CC(F)F)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000901815433 980536816 /nfs/dbraw/zinc/53/68/16/980536816.db2.gz ZYDYEUGHTQEXFN-LBPRGKRZSA-N -1 1 336.342 2.343 20 0 EEADMM CCCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CCN(C/C=C/Cl)CC1 ZINC001595812870 982650531 /nfs/dbraw/zinc/65/05/31/982650531.db2.gz BMAHSPBZZNSNOM-HNCOSLNKSA-N -1 1 328.840 2.163 20 0 EEADMM CCN(C(=O)Cc1cc(=O)n(CC(C)C)[nH]1)c1ccccc1C(=O)[O-] ZINC001596142639 983494343 /nfs/dbraw/zinc/49/43/43/983494343.db2.gz ANAWQEHIAFOHAP-UHFFFAOYSA-N -1 1 345.399 2.126 20 0 EEADMM CCN1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@H]1C ZINC001596430840 984097554 /nfs/dbraw/zinc/09/75/54/984097554.db2.gz DUEMSQZDQCBWSI-GFCCVEGCSA-N -1 1 342.399 2.491 20 0 EEADMM C/C(=C/C(=O)[O-])CN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC001588952592 984686961 /nfs/dbraw/zinc/68/69/61/984686961.db2.gz RVEIZXDCUPRYNL-UFDVIRIBSA-N -1 1 325.430 2.090 20 0 EEADMM CCOC(=O)c1[nH]nc(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)c1C ZINC001596694959 984826758 /nfs/dbraw/zinc/82/67/58/984826758.db2.gz SGSCTNIQUYJIJX-UHFFFAOYSA-N -1 1 348.359 2.044 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(F)c3occc32)CCN1CCC(=O)[O-] ZINC001594493107 985609723 /nfs/dbraw/zinc/60/97/23/985609723.db2.gz NDXDDTVESHUMCZ-NSHDSACASA-N -1 1 334.347 2.193 20 0 EEADMM Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(=O)[O-])nn1C ZINC001599969621 985982149 /nfs/dbraw/zinc/98/21/49/985982149.db2.gz MIMGQUCCWRGSEU-UHFFFAOYSA-N -1 1 325.250 2.384 20 0 EEADMM Cc1c(-c2nc3c[nH]c(C(F)(F)F)cc-3n2)c(C(=O)[O-])nn1C ZINC001599969621 985982157 /nfs/dbraw/zinc/98/21/57/985982157.db2.gz MIMGQUCCWRGSEU-UHFFFAOYSA-N -1 1 325.250 2.384 20 0 EEADMM CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])oc21 ZINC001597164939 986982319 /nfs/dbraw/zinc/98/23/19/986982319.db2.gz KETUDOCRZHMNJX-QWRGUYRKSA-N -1 1 334.372 2.071 20 0 EEADMM CCc1ccc(CC[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001597523333 988159526 /nfs/dbraw/zinc/15/95/26/988159526.db2.gz MACAEKAMNQKVOM-WUJZJPHMSA-N -1 1 331.412 2.289 20 0 EEADMM C[C@@H](NCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccc(O)c1 ZINC001599841049 988829704 /nfs/dbraw/zinc/82/97/04/988829704.db2.gz HUEXTAVTUJWRFT-GFCCVEGCSA-N -1 1 328.368 2.404 20 0 EEADMM CCc1nccc(C)c1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001597702631 988930851 /nfs/dbraw/zinc/93/08/51/988930851.db2.gz BRVINPWQYYUYFY-UHFFFAOYSA-N -1 1 334.397 2.380 20 0 EEADMM C[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001599862225 989187686 /nfs/dbraw/zinc/18/76/86/989187686.db2.gz YGGOJHVJMGLPGH-LDWIPMOCSA-N -1 1 334.155 2.013 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC001597792094 989329655 /nfs/dbraw/zinc/32/96/55/989329655.db2.gz XFVCUENCPNWCDR-UHFFFAOYSA-N -1 1 327.362 2.118 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])no2)C[C@H]1C1CC1 ZINC001590340626 989781631 /nfs/dbraw/zinc/78/16/31/989781631.db2.gz WHEZYHXRFJPCOZ-QWHCGFSZSA-N -1 1 336.388 2.173 20 0 EEADMM CC(C)C[C@H](C)N(C)C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001591138272 991856159 /nfs/dbraw/zinc/85/61/59/991856159.db2.gz URJDJEGXSKAAGP-KSSFIOAISA-N -1 1 335.448 2.254 20 0 EEADMM CC(C)CCC[C@@H](C)NC(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001591228347 992103754 /nfs/dbraw/zinc/10/37/54/992103754.db2.gz DKCFQGXINJTVEA-ZIAGYGMSSA-N -1 1 330.494 2.067 20 0 EEADMM CC(C)N1CCO[C@@H](Cn2cc(-c3ccc(C(=O)[O-])c(F)c3)cn2)C1 ZINC001591636043 992948214 /nfs/dbraw/zinc/94/82/14/992948214.db2.gz WQUPJJAOEICSIF-OAHLLOKOSA-N -1 1 347.390 2.497 20 0 EEADMM CN1CC[C@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)[C@H]1c1ccc(F)cc1 ZINC001598586350 993388817 /nfs/dbraw/zinc/38/88/17/993388817.db2.gz NDTJROIIJNUPSL-HRCADAONSA-N -1 1 347.390 2.044 20 0 EEADMM C[C@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1nnc[nH]1 ZINC001593118236 993826532 /nfs/dbraw/zinc/82/65/32/993826532.db2.gz GXQCKHLRBFLJRD-VIFPVBQESA-N -1 1 335.389 2.005 20 0 EEADMM CNC(=O)C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001598640023 994303783 /nfs/dbraw/zinc/30/37/83/994303783.db2.gz RBCXLUSIWRIMGW-MRXNPFEDSA-N -1 1 330.359 2.491 20 0 EEADMM 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/nfs/dbraw/zinc/77/61/30/485776130.db2.gz CHJCQQHJFBIJEU-UHFFFAOYSA-N -1 1 328.397 2.073 20 0 EEADMM Cc1ccc(CS(=O)(=O)c2n[n-]c(Cc3ccccc3)n2)nc1 ZINC000671194319 485776138 /nfs/dbraw/zinc/77/61/38/485776138.db2.gz CHJCQQHJFBIJEU-UHFFFAOYSA-N -1 1 328.397 2.073 20 0 EEADMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(F)c(F)c([O-])c1F ZINC000680427592 485967786 /nfs/dbraw/zinc/96/77/86/485967786.db2.gz VXLLVROLUASYIK-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1O ZINC000680809930 486052786 /nfs/dbraw/zinc/05/27/86/486052786.db2.gz WAJZSQBYMZCIEA-UHFFFAOYSA-N -1 1 332.381 2.304 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000675947801 486101306 /nfs/dbraw/zinc/10/13/06/486101306.db2.gz JPZGKFHHHXFNPF-OAHLLOKOSA-N -1 1 343.383 2.243 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000681042577 486121246 /nfs/dbraw/zinc/12/12/46/486121246.db2.gz ZIVFOCNCQSLEKK-LBPRGKRZSA-N -1 1 330.363 2.089 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1(C)C ZINC000681513838 486259345 /nfs/dbraw/zinc/25/93/45/486259345.db2.gz HENHJNOHXCOFFG-IJEWVQPXSA-N -1 1 341.415 2.047 20 0 EEADMM COCCOc1c(Cl)cccc1NC(=O)c1n[nH]c(C)c1[O-] ZINC000676707060 486287579 /nfs/dbraw/zinc/28/75/79/486287579.db2.gz URMUOCYXSHBTQJ-UHFFFAOYSA-N -1 1 325.752 2.355 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000681762105 486324648 /nfs/dbraw/zinc/32/46/48/486324648.db2.gz MOLLFEZSWXWNGZ-BBRMVZONSA-N -1 1 338.411 2.084 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CCCO)c(F)c1 ZINC000678495335 486640042 /nfs/dbraw/zinc/64/00/42/486640042.db2.gz OSGRDQCXGGQFRM-UHFFFAOYSA-N -1 1 337.388 2.050 20 0 EEADMM CC(C)c1cc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000187524030 528013133 /nfs/dbraw/zinc/01/31/33/528013133.db2.gz HXBALHYONIINEL-UHFFFAOYSA-N -1 1 331.372 2.269 20 0 EEADMM CCOc1cc(C(=O)N2CCC[C@H](C(=O)NC)C2)cc(Cl)c1[O-] ZINC000186804414 528213423 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Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000738181118 578002718 /nfs/dbraw/zinc/00/27/18/578002718.db2.gz SQCDIUDDWHKLEU-INIZCTEOSA-N -1 1 344.415 2.404 20 0 EEADMM O=C(Nc1cccc(N2CCCC2)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000738185405 578002789 /nfs/dbraw/zinc/00/27/89/578002789.db2.gz XAZVFBRYUCNTPR-UHFFFAOYSA-N -1 1 341.419 2.211 20 0 EEADMM Cc1n[nH]c(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000738249566 578006144 /nfs/dbraw/zinc/00/61/44/578006144.db2.gz WBALNSIPCLKXSR-UHFFFAOYSA-N -1 1 331.372 2.200 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(C[C@@H]2CCCCO2)c2ccc(Cl)cc12 ZINC000738371234 578011359 /nfs/dbraw/zinc/01/13/59/578011359.db2.gz HROLOLGJVLVXHN-NSHDSACASA-N -1 1 345.790 2.404 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC2CCOCC2)c2ccc(Cl)cc12 ZINC000738372523 578011482 /nfs/dbraw/zinc/01/14/82/578011482.db2.gz RQBOJPXOEUUTRK-UHFFFAOYSA-N -1 1 345.790 2.262 20 0 EEADMM c1ccc(C2(CNc3cccc(-c4nnn[n-]4)n3)CCOCC2)cc1 ZINC000738429153 578014516 /nfs/dbraw/zinc/01/45/16/578014516.db2.gz UTLRKKSBKSFMRX-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM c1ccc(C2(CNc3cccc(-c4nn[n-]n4)n3)CCOCC2)cc1 ZINC000738429153 578014517 /nfs/dbraw/zinc/01/45/17/578014517.db2.gz UTLRKKSBKSFMRX-UHFFFAOYSA-N -1 1 336.399 2.422 20 0 EEADMM Fc1cccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737661092 576281433 /nfs/dbraw/zinc/28/14/33/576281433.db2.gz MYUMUTMUGFCKCP-UHFFFAOYSA-N -1 1 338.390 2.328 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c(C)c1 ZINC000727113828 576406716 /nfs/dbraw/zinc/40/67/16/576406716.db2.gz SSPGAGMBXNCLBX-UHFFFAOYSA-N -1 1 333.365 2.475 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3nnc(CCC(=O)[O-])s3)[nH]n2)o1 ZINC000738488126 576491628 /nfs/dbraw/zinc/49/16/28/576491628.db2.gz IHDQDMWKPMCJRA-UHFFFAOYSA-N -1 1 347.356 2.099 20 0 EEADMM CC(C)([N-]C(=O)C(F)(F)C(F)F)C(=O)NCC1CCCCC1 ZINC000771765707 577228988 /nfs/dbraw/zinc/22/89/88/577228988.db2.gz JCDYGJUXJHYKTA-UHFFFAOYSA-N -1 1 326.334 2.478 20 0 EEADMM COc1ccc2c(c1)CCN(CC(=O)[N-]OCc1ccccc1)CC2 ZINC000772252490 577259576 /nfs/dbraw/zinc/25/95/76/577259576.db2.gz UETBKSMDZVCYAX-UHFFFAOYSA-N -1 1 340.423 2.344 20 0 EEADMM O=C(c1ccc2c(c1)CCCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773163586 577319990 /nfs/dbraw/zinc/31/99/90/577319990.db2.gz RZHCOATXWRDVAZ-CQSZACIVSA-N -1 1 329.429 2.009 20 0 EEADMM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000773485580 577346193 /nfs/dbraw/zinc/34/61/93/577346193.db2.gz BOTWRQQOZWQFTR-UHFFFAOYSA-N -1 1 346.368 2.225 20 0 EEADMM CCc1c(C(=O)OCCC[N-]C(=O)C(F)(F)F)cnn1C(C)(C)C ZINC000774930469 577423628 /nfs/dbraw/zinc/42/36/28/577423628.db2.gz IOZZBNPCYFPOQU-UHFFFAOYSA-N -1 1 349.353 2.426 20 0 EEADMM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765464199 577501435 /nfs/dbraw/zinc/50/14/35/577501435.db2.gz NRPVPZIQKONDJG-AWEZNQCLSA-N -1 1 335.429 2.110 20 0 EEADMM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765469210 577501487 /nfs/dbraw/zinc/50/14/87/577501487.db2.gz XZNRRTXEOXJMOZ-ZWLSGLHFSA-N -1 1 331.372 2.042 20 0 EEADMM Cc1nc(C2CCCCC2)sc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765499989 577502033 /nfs/dbraw/zinc/50/20/33/577502033.db2.gz AELONXNVXSYTFP-UHFFFAOYSA-N -1 1 336.417 2.278 20 0 EEADMM CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc([O-])c(F)c1 ZINC000767297840 577533997 /nfs/dbraw/zinc/53/39/97/577533997.db2.gz POMFOOMZAFTULZ-UHFFFAOYSA-N -1 1 326.331 2.384 20 0 EEADMM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NN1CC(=O)[N-]C1=O ZINC000767812881 577545584 /nfs/dbraw/zinc/54/55/84/577545584.db2.gz BJACKDQKFGLFKC-UHFFFAOYSA-N -1 1 347.415 2.035 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(C)c2F)cc1 ZINC000761287013 577681181 /nfs/dbraw/zinc/68/11/81/577681181.db2.gz GINGOTPJIADAAY-UHFFFAOYSA-N -1 1 345.326 2.256 20 0 EEADMM Cc1ccc([C@H](O)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000762329721 577699312 /nfs/dbraw/zinc/69/93/12/577699312.db2.gz HGTCLBKDUCELPR-CQSZACIVSA-N -1 1 329.400 2.386 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@]2(C)CCCO2)no1 ZINC000763332647 577719294 /nfs/dbraw/zinc/71/92/94/577719294.db2.gz KPPUPMLEGLVKGH-RNCFNFMXSA-N -1 1 343.430 2.196 20 0 EEADMM CC1(C)OC[C@H](CNC(=O)c2ccc(Br)c([O-])c2)O1 ZINC000764603176 577739773 /nfs/dbraw/zinc/73/97/73/577739773.db2.gz AMPHIRWIHBPBEA-VIFPVBQESA-N -1 1 330.178 2.036 20 0 EEADMM O=C(COC(=O)c1cncc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000753880074 577795440 /nfs/dbraw/zinc/79/54/40/577795440.db2.gz WQWKJOYARCVKDX-UHFFFAOYSA-N -1 1 334.331 2.348 20 0 EEADMM O=c1[n-]c(=O)n(Cc2c(F)c(F)c(F)c(F)c2F)cc1Cl ZINC000754280569 577803765 /nfs/dbraw/zinc/80/37/65/577803765.db2.gz WRVUQWIIVLBNAQ-UHFFFAOYSA-N -1 1 326.608 2.346 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1Cl ZINC000754826205 577814200 /nfs/dbraw/zinc/81/42/00/577814200.db2.gz DPAHUXGTEUJKHF-UHFFFAOYSA-N -1 1 337.792 2.264 20 0 EEADMM NC(=O)[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000756904645 577852816 /nfs/dbraw/zinc/85/28/16/577852816.db2.gz OUQFKXRAHGPCQL-CYBMUJFWSA-N -1 1 340.276 2.399 20 0 EEADMM COC(=O)c1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])nc1 ZINC000744548986 577899797 /nfs/dbraw/zinc/89/97/97/577899797.db2.gz SQCJEBQKHBHJFW-UHFFFAOYSA-N -1 1 343.335 2.176 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@](C)(O)c1cccs1 ZINC000748555357 577963925 /nfs/dbraw/zinc/96/39/25/577963925.db2.gz NNVFPZHNTHHACP-INIZCTEOSA-N -1 1 335.429 2.313 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000748556702 577963940 /nfs/dbraw/zinc/96/39/40/577963940.db2.gz MDAYCDRUPLBECH-SNVBAGLBSA-N -1 1 333.413 2.196 20 0 EEADMM Cc1ccc(C)n1C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000738579110 578019974 /nfs/dbraw/zinc/01/99/74/578019974.db2.gz MJTHCKUNTUUPHV-KRWDZBQOSA-N -1 1 349.475 2.357 20 0 EEADMM Cc1ccc(CN(C(=O)CNC2(C(=O)[O-])CCCCC2)C2CC2)o1 ZINC000738593386 578020533 /nfs/dbraw/zinc/02/05/33/578020533.db2.gz YOLHZEHJHHSVBG-UHFFFAOYSA-N -1 1 334.416 2.456 20 0 EEADMM Cc1ccccc1C[C@H](C)NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738770244 578026277 /nfs/dbraw/zinc/02/62/77/578026277.db2.gz YGUYTZYGDGVWNN-DOTOQJQBSA-N -1 1 344.455 2.229 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1cc(F)ccc1F ZINC000739366355 578050586 /nfs/dbraw/zinc/05/05/86/578050586.db2.gz CKNJBSMSFCNAJL-CQSZACIVSA-N -1 1 335.310 2.122 20 0 EEADMM O=C([O-])NCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000740002607 578076923 /nfs/dbraw/zinc/07/69/23/578076923.db2.gz XIYFFFZIZQEFRY-UHFFFAOYSA-N -1 1 341.776 2.303 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1nnc3ccccc3c1O)C2 ZINC000740201040 578085453 /nfs/dbraw/zinc/08/54/53/578085453.db2.gz RZBAGXKQXLDNGA-UHFFFAOYSA-N -1 1 335.319 2.190 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)C2)c([O-])c1 ZINC000740921889 578109225 /nfs/dbraw/zinc/10/92/25/578109225.db2.gz IKMNJTMORKFUCM-GFCCVEGCSA-N -1 1 336.388 2.336 20 0 EEADMM CCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)on1 ZINC000741250914 578115592 /nfs/dbraw/zinc/11/55/92/578115592.db2.gz WNDOEWPVKFVOMR-UHFFFAOYSA-N -1 1 336.200 2.417 20 0 EEADMM Cn1cc(-c2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)cn1 ZINC000741675399 578122107 /nfs/dbraw/zinc/12/21/07/578122107.db2.gz JZDIGMHJVDAFND-UHFFFAOYSA-N -1 1 336.277 2.476 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2cccc3c2COC3=O)c1C(=O)[O-] ZINC000735029370 578131285 /nfs/dbraw/zinc/13/12/85/578131285.db2.gz UEUHVUXDFDNSKE-UHFFFAOYSA-N -1 1 347.348 2.164 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)N1CCCCCC1 ZINC000736198549 578186570 /nfs/dbraw/zinc/18/65/70/578186570.db2.gz BQNPGMMJCKYQGL-BBRMVZONSA-N -1 1 332.400 2.130 20 0 EEADMM CCONC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736624921 578215372 /nfs/dbraw/zinc/21/53/72/578215372.db2.gz FLIWAGRIEXXLFI-UHFFFAOYSA-N -1 1 344.400 2.346 20 0 EEADMM C[C@@H](c1nc(-c2cccnc2)no1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736724103 578220300 /nfs/dbraw/zinc/22/03/00/578220300.db2.gz IVSVETVJRIWJHI-WCQYABFASA-N -1 1 328.372 2.379 20 0 EEADMM CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736779942 578223132 /nfs/dbraw/zinc/22/31/32/578223132.db2.gz NMXDMGJSJNJPGV-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736779942 578223133 /nfs/dbraw/zinc/22/31/33/578223133.db2.gz NMXDMGJSJNJPGV-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(n2c(C)ccc2C)CC1)C(=O)[O-] ZINC000736880809 578228257 /nfs/dbraw/zinc/22/82/57/578228257.db2.gz ZJCFBUYNDLUDDQ-SCLBCKFNSA-N -1 1 349.475 2.357 20 0 EEADMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@](C)(O)C(=O)[O-] ZINC000737069402 578236245 /nfs/dbraw/zinc/23/62/45/578236245.db2.gz IHRPLYDHISFADJ-AWEZNQCLSA-N -1 1 349.214 2.089 20 0 EEADMM Cc1c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)sc2cccc(F)c12 ZINC000737206665 578243584 /nfs/dbraw/zinc/24/35/84/578243584.db2.gz KTEFKQPZLWTMKH-SNVBAGLBSA-N -1 1 347.375 2.076 20 0 EEADMM Cc1c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)sc2cccc(F)c12 ZINC000737206664 578243593 /nfs/dbraw/zinc/24/35/93/578243593.db2.gz KTEFKQPZLWTMKH-JTQLQIEISA-N -1 1 347.375 2.076 20 0 EEADMM Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@](C)(O)c2ccsc2)[nH+]1 ZINC000737241092 578245603 /nfs/dbraw/zinc/24/56/03/578245603.db2.gz PECLDRCLQABHCD-HNNXBMFYSA-N -1 1 330.417 2.260 20 0 EEADMM CN(C(=O)CN(CCCO)CC(C)(C)C)c1ccccc1C(=O)[O-] ZINC000737324501 578250431 /nfs/dbraw/zinc/25/04/31/578250431.db2.gz QOLWFRIMONVFKH-UHFFFAOYSA-N -1 1 336.432 2.078 20 0 EEADMM Cc1cccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737435954 578257445 /nfs/dbraw/zinc/25/74/45/578257445.db2.gz OMTHCTHGJCYUOM-CQSZACIVSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1cccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737435954 578257446 /nfs/dbraw/zinc/25/74/46/578257446.db2.gz OMTHCTHGJCYUOM-CQSZACIVSA-N -1 1 337.387 2.092 20 0 EEADMM CC[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC000820994597 599101486 /nfs/dbraw/zinc/10/14/86/599101486.db2.gz IZYUDKLYKUNTKO-SNVBAGLBSA-N -1 1 327.417 2.142 20 0 EEADMM CC[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC000820994597 599101487 /nfs/dbraw/zinc/10/14/87/599101487.db2.gz IZYUDKLYKUNTKO-SNVBAGLBSA-N -1 1 327.417 2.142 20 0 EEADMM Clc1ccc2nc(CNCc3ccc(-c4nnn[n-]4)o3)cn2c1 ZINC000822582439 599402319 /nfs/dbraw/zinc/40/23/19/599402319.db2.gz TWRLXOLFYPCDHZ-UHFFFAOYSA-N -1 1 329.751 2.051 20 0 EEADMM Clc1ccc2nc(CNCc3ccc(-c4nn[n-]n4)o3)cn2c1 ZINC000822582439 599402320 /nfs/dbraw/zinc/40/23/20/599402320.db2.gz TWRLXOLFYPCDHZ-UHFFFAOYSA-N -1 1 329.751 2.051 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000820586309 599571017 /nfs/dbraw/zinc/57/10/17/599571017.db2.gz VEMQVCMLPAUNNS-XZJROXQQSA-N -1 1 336.399 2.062 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@@H]2CCO[C@@H]21 ZINC000820586309 599571018 /nfs/dbraw/zinc/57/10/18/599571018.db2.gz VEMQVCMLPAUNNS-XZJROXQQSA-N -1 1 336.399 2.062 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2c(s1)CCC2 ZINC000826450980 607467076 /nfs/dbraw/zinc/46/70/76/607467076.db2.gz LCFZFYMMKSKCGF-UHFFFAOYSA-N -1 1 327.369 2.375 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@@H](C)O ZINC000829142091 600812555 /nfs/dbraw/zinc/81/25/55/600812555.db2.gz RXPRHRROLDYVRL-HIFRSBDPSA-N -1 1 349.431 2.002 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000832786220 600979176 /nfs/dbraw/zinc/97/91/76/600979176.db2.gz YVEDYFCQUDMNTB-UHFFFAOYSA-N -1 1 330.412 2.364 20 0 EEADMM CC(C)(NCc1csc(CC(=O)Nc2ccccc2)n1)C(=O)[O-] ZINC000826630348 600991212 /nfs/dbraw/zinc/99/12/12/600991212.db2.gz BALJKSNPPOTUGN-UHFFFAOYSA-N -1 1 333.413 2.277 20 0 EEADMM CN(CCN1CCOCC1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830785234 601008523 /nfs/dbraw/zinc/00/85/23/601008523.db2.gz NXOBYDCWMDRFCN-CQSZACIVSA-N -1 1 347.242 2.383 20 0 EEADMM Cc1cc(N(C)C)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832888359 601127975 /nfs/dbraw/zinc/12/79/75/601127975.db2.gz ICZNGWQGOMNGGO-AWEZNQCLSA-N -1 1 348.447 2.074 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCN1CCOC ZINC000829143123 601143992 /nfs/dbraw/zinc/14/39/92/601143992.db2.gz XWGNJPKWKQBJMG-HNNXBMFYSA-N -1 1 349.431 2.268 20 0 EEADMM CCC(CC)(CC(=O)[O-])NC(=O)CSc1n[nH]c(=S)s1 ZINC000828784909 601306977 /nfs/dbraw/zinc/30/69/77/601306977.db2.gz PVFWERPOVKUXMG-UHFFFAOYSA-N -1 1 335.476 2.069 20 0 EEADMM CCOc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000830104687 601362238 /nfs/dbraw/zinc/36/22/38/601362238.db2.gz MPXIGCFAMHVEDO-UHFFFAOYSA-N -1 1 340.332 2.118 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000831527597 601539962 /nfs/dbraw/zinc/53/99/62/601539962.db2.gz XKUKSJARBPCEER-KSSFIOAISA-N -1 1 334.416 2.459 20 0 EEADMM Cc1[nH]ncc1CCCNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832863185 601756940 /nfs/dbraw/zinc/75/69/40/601756940.db2.gz IDNQXWAPDWKTEC-UHFFFAOYSA-N -1 1 345.399 2.161 20 0 EEADMM Cc1ccc(C[S@](=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826288651 607530366 /nfs/dbraw/zinc/53/03/66/607530366.db2.gz QPZPXDLXFMIBCS-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM Cc1ccc(C[S@](=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826288651 607530369 /nfs/dbraw/zinc/53/03/69/607530369.db2.gz QPZPXDLXFMIBCS-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C ZINC000830825460 601870880 /nfs/dbraw/zinc/87/08/80/601870880.db2.gz XLAKDXRTEKIUKB-LBPRGKRZSA-N -1 1 332.853 2.449 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000828024868 601910536 /nfs/dbraw/zinc/91/05/36/601910536.db2.gz ZKCKBWPQUZUZQG-OAHLLOKOSA-N -1 1 328.315 2.023 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccco1 ZINC000829666820 602064958 /nfs/dbraw/zinc/06/49/58/602064958.db2.gz SYBMWFQIUDCSBT-GUYCJALGSA-N -1 1 337.420 2.169 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826296892 607571504 /nfs/dbraw/zinc/57/15/04/607571504.db2.gz NTLXLSKHMCNDCN-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cccc(C)c1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826296892 607571506 /nfs/dbraw/zinc/57/15/06/607571506.db2.gz NTLXLSKHMCNDCN-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM O=C(Cc1cccc2cccnc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826423519 607598795 /nfs/dbraw/zinc/59/87/95/607598795.db2.gz SVQMBXQKLYKWPY-UHFFFAOYSA-N -1 1 346.350 2.096 20 0 EEADMM O=C(Cc1cccc2cccnc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826423519 607598798 /nfs/dbraw/zinc/59/87/98/607598798.db2.gz SVQMBXQKLYKWPY-UHFFFAOYSA-N -1 1 346.350 2.096 20 0 EEADMM CC(C)[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824190995 607639084 /nfs/dbraw/zinc/63/90/84/607639084.db2.gz CFUDCOAFHNTHAB-VIFPVBQESA-N -1 1 343.840 2.091 20 0 EEADMM CC(C)[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824190995 607639086 /nfs/dbraw/zinc/63/90/86/607639086.db2.gz CFUDCOAFHNTHAB-VIFPVBQESA-N -1 1 343.840 2.091 20 0 EEADMM Clc1nsc(N2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826354017 607681467 /nfs/dbraw/zinc/68/14/67/607681467.db2.gz MWKWFHXQROHFKR-DTWKUNHWSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC[C@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826354017 607681469 /nfs/dbraw/zinc/68/14/69/607681469.db2.gz MWKWFHXQROHFKR-DTWKUNHWSA-N -1 1 340.840 2.230 20 0 EEADMM COc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCc1ccncc1 ZINC000829124978 604419777 /nfs/dbraw/zinc/41/97/77/604419777.db2.gz OJINBVMZDYCOSU-UHFFFAOYSA-N -1 1 343.383 2.121 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3cn[nH]c31)C2 ZINC000833324361 604540541 /nfs/dbraw/zinc/54/05/41/604540541.db2.gz ADFZEHWORBGPNC-CQSZACIVSA-N -1 1 326.356 2.211 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000833456526 604571594 /nfs/dbraw/zinc/57/15/94/604571594.db2.gz ZEHZXTKIMZSREO-UHFFFAOYSA-N -1 1 326.759 2.403 20 0 EEADMM O=C([O-])CCc1csc(NC(=O)c2cc(F)cc3[nH]cnc32)n1 ZINC000833240353 604729616 /nfs/dbraw/zinc/72/96/16/604729616.db2.gz HVZHNHCFXVBIOV-UHFFFAOYSA-N -1 1 334.332 2.428 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000828580422 604775109 /nfs/dbraw/zinc/77/51/09/604775109.db2.gz IOABCRALGOTATH-UHFFFAOYSA-N -1 1 334.353 2.173 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CN2C(=O)CC3(CCCC3)C2=O)C1 ZINC000833420928 604867960 /nfs/dbraw/zinc/86/79/60/604867960.db2.gz CJMHCYMMFDTEQK-CYBMUJFWSA-N -1 1 336.432 2.086 20 0 EEADMM CC[C@@H](OC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000833643935 605016864 /nfs/dbraw/zinc/01/68/64/605016864.db2.gz CRXPPVOJPVBYPF-LLVKDONJSA-N -1 1 335.385 2.279 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)CN(C)[C@H]1CCSC1)c1ccccc1 ZINC000833410891 605054164 /nfs/dbraw/zinc/05/41/64/605054164.db2.gz IFFFKMXJNROYFU-NOLJZWGESA-N -1 1 336.457 2.002 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000833625258 605102900 /nfs/dbraw/zinc/10/29/00/605102900.db2.gz KHAGZZYQOFAYMS-OAHLLOKOSA-N -1 1 341.411 2.098 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)F)cc1 ZINC000833622988 605109442 /nfs/dbraw/zinc/10/94/42/605109442.db2.gz CLZQPUOTNKAXGK-NSHDSACASA-N -1 1 326.343 2.245 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](c1ccccc1)C1CC1 ZINC000833625082 605162624 /nfs/dbraw/zinc/16/26/24/605162624.db2.gz WDAATQWKXLOKHP-KBXCAEBGSA-N -1 1 330.428 2.188 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2cccc(F)c2)CCC1 ZINC000833620534 605164872 /nfs/dbraw/zinc/16/48/72/605164872.db2.gz LAYJNZFCJSENAY-CQSZACIVSA-N -1 1 348.418 2.255 20 0 EEADMM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833420191 605296039 /nfs/dbraw/zinc/29/60/39/605296039.db2.gz CMHLNHMYSNTWKN-HNNXBMFYSA-N -1 1 348.443 2.277 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCC(C(=O)c3ccc([O-])cc3)CC2)O1 ZINC000833583699 605361461 /nfs/dbraw/zinc/36/14/61/605361461.db2.gz KNDOPMUYNKOFAQ-INIZCTEOSA-N -1 1 345.395 2.434 20 0 EEADMM Cc1ccc([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000822229351 606157034 /nfs/dbraw/zinc/15/70/34/606157034.db2.gz SBXPOMBUOWCHST-NSHDSACASA-N -1 1 340.391 2.134 20 0 EEADMM Cc1ccc([C@H](C)N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000822229351 606157036 /nfs/dbraw/zinc/15/70/36/606157036.db2.gz SBXPOMBUOWCHST-NSHDSACASA-N -1 1 340.391 2.134 20 0 EEADMM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822196467 606170854 /nfs/dbraw/zinc/17/08/54/606170854.db2.gz KSAWTZGDHPNMPD-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822196467 606170857 /nfs/dbraw/zinc/17/08/57/606170857.db2.gz KSAWTZGDHPNMPD-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM C/C=C(/C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000820825757 606190871 /nfs/dbraw/zinc/19/08/71/606190871.db2.gz CUCDBWPZUZFTKB-WCIBSUBMSA-N -1 1 338.371 2.370 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)OC(=O)OC(C)C)n1 ZINC000822427590 606333076 /nfs/dbraw/zinc/33/30/76/606333076.db2.gz PQWIMYGSPJHYDI-VIFPVBQESA-N -1 1 338.393 2.273 20 0 EEADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820045942 606448043 /nfs/dbraw/zinc/44/80/43/606448043.db2.gz OVLLGSAAGOJJSX-GXFFZTMASA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820045942 606448045 /nfs/dbraw/zinc/44/80/45/606448045.db2.gz OVLLGSAAGOJJSX-GXFFZTMASA-N -1 1 335.433 2.109 20 0 EEADMM Oc1ccc2c(c1)CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823732321 606465243 /nfs/dbraw/zinc/46/52/43/606465243.db2.gz KWQQNUOHGFZDLH-UHFFFAOYSA-N -1 1 342.790 2.226 20 0 EEADMM Oc1ccc2c(c1)CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823732321 606465245 /nfs/dbraw/zinc/46/52/45/606465245.db2.gz KWQQNUOHGFZDLH-UHFFFAOYSA-N -1 1 342.790 2.226 20 0 EEADMM CC(C)Oc1ncccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820178725 606511381 /nfs/dbraw/zinc/51/13/81/606511381.db2.gz ZEMXEJWFXOYMCN-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1ncccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820178725 606511384 /nfs/dbraw/zinc/51/13/84/606511384.db2.gz ZEMXEJWFXOYMCN-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1c1ccncc1 ZINC000823483155 606522454 /nfs/dbraw/zinc/52/24/54/606522454.db2.gz DLJBGHRUTINDKB-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1c1ccncc1 ZINC000823483155 606522455 /nfs/dbraw/zinc/52/24/55/606522455.db2.gz DLJBGHRUTINDKB-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)N(C)c1ccccc1 ZINC000820269292 606525959 /nfs/dbraw/zinc/52/59/59/606525959.db2.gz JCTLZPDTERZLKQ-NSHDSACASA-N -1 1 342.428 2.183 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N(C)c1ccccc1 ZINC000820269292 606525960 /nfs/dbraw/zinc/52/59/60/606525960.db2.gz JCTLZPDTERZLKQ-NSHDSACASA-N -1 1 342.428 2.183 20 0 EEADMM O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823155150 606531912 /nfs/dbraw/zinc/53/19/12/606531912.db2.gz OYRPOIMHRMTFTB-JTQLQIEISA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823155150 606531914 /nfs/dbraw/zinc/53/19/14/606531914.db2.gz OYRPOIMHRMTFTB-JTQLQIEISA-N -1 1 345.359 2.321 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c(s1)CCCCC2 ZINC000823290494 606533480 /nfs/dbraw/zinc/53/34/80/606533480.db2.gz YBZRJHKQIJQIRV-UHFFFAOYSA-N -1 1 329.389 2.173 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(s1)CCCCC2 ZINC000823290494 606533482 /nfs/dbraw/zinc/53/34/82/606533482.db2.gz YBZRJHKQIJQIRV-UHFFFAOYSA-N -1 1 329.389 2.173 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823160685 606533669 /nfs/dbraw/zinc/53/36/69/606533669.db2.gz FBMHFDMUUKEKBT-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823160685 606533671 /nfs/dbraw/zinc/53/36/71/606533671.db2.gz FBMHFDMUUKEKBT-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM CC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCOCC1 ZINC000820623044 606609248 /nfs/dbraw/zinc/60/92/48/606609248.db2.gz CJNLJYYJUFEQRE-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM CC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCOCC1 ZINC000820623044 606609250 /nfs/dbraw/zinc/60/92/50/606609250.db2.gz CJNLJYYJUFEQRE-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM CCCc1nc(C)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000821143345 606651903 /nfs/dbraw/zinc/65/19/03/606651903.db2.gz RRUBXZXOARFKFK-UHFFFAOYSA-N -1 1 344.400 2.336 20 0 EEADMM CCCc1nc(C)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000821143345 606651904 /nfs/dbraw/zinc/65/19/04/606651904.db2.gz RRUBXZXOARFKFK-UHFFFAOYSA-N -1 1 344.400 2.336 20 0 EEADMM C[C@@H](C[C@@H]1CCOC1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820234570 607114090 /nfs/dbraw/zinc/11/40/90/607114090.db2.gz OHIOZMZDSGVTQC-QWRGUYRKSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@H](C[C@@H]1CCOC1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820234570 607114091 /nfs/dbraw/zinc/11/40/91/607114091.db2.gz OHIOZMZDSGVTQC-QWRGUYRKSA-N -1 1 325.376 2.037 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1CCOC2(CCC2)C1 ZINC000823796427 607133864 /nfs/dbraw/zinc/13/38/64/607133864.db2.gz AGLCESOOOUQHCU-LLVKDONJSA-N -1 1 337.387 2.324 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1CCOC2(CCC2)C1 ZINC000823796427 607133866 /nfs/dbraw/zinc/13/38/66/607133866.db2.gz AGLCESOOOUQHCU-LLVKDONJSA-N -1 1 337.387 2.324 20 0 EEADMM CC1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824788920 607821279 /nfs/dbraw/zinc/82/12/79/607821279.db2.gz DNVBJWCYNFWYHS-JTQLQIEISA-N -1 1 325.376 2.179 20 0 EEADMM CC1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824788920 607821280 /nfs/dbraw/zinc/82/12/80/607821280.db2.gz DNVBJWCYNFWYHS-JTQLQIEISA-N -1 1 325.376 2.179 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824936907 607864100 /nfs/dbraw/zinc/86/41/00/607864100.db2.gz NDOSGRUXMITDLJ-DGCLKSJQSA-N -1 1 347.394 2.422 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824936907 607864101 /nfs/dbraw/zinc/86/41/01/607864101.db2.gz NDOSGRUXMITDLJ-DGCLKSJQSA-N -1 1 347.394 2.422 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(CC)CC ZINC000825582558 607991100 /nfs/dbraw/zinc/99/11/00/607991100.db2.gz LEGIRESPLCIQCI-STQMWFEESA-N -1 1 331.424 2.077 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(CC)CC ZINC000825582558 607991101 /nfs/dbraw/zinc/99/11/01/607991101.db2.gz LEGIRESPLCIQCI-STQMWFEESA-N -1 1 331.424 2.077 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc(Cl)cc2C1 ZINC000826472804 608059969 /nfs/dbraw/zinc/05/99/69/608059969.db2.gz XJVJFAXPXKUHJZ-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc(Cl)cc2C1 ZINC000826472804 608059970 /nfs/dbraw/zinc/05/99/70/608059970.db2.gz XJVJFAXPXKUHJZ-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM CC(C)c1nnc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[nH]1 ZINC000824358217 608098474 /nfs/dbraw/zinc/09/84/74/608098474.db2.gz CGTHFVSGYLCWHE-SSDOTTSWSA-N -1 1 333.787 2.330 20 0 EEADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825192769 608280180 /nfs/dbraw/zinc/28/01/80/608280180.db2.gz IDQVIOSEZXYDJA-BDAKNGLRSA-N -1 1 348.432 2.092 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826292341 608432279 /nfs/dbraw/zinc/43/22/79/608432279.db2.gz RDCSXXWXWMUPAL-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826292341 608432281 /nfs/dbraw/zinc/43/22/81/608432281.db2.gz RDCSXXWXWMUPAL-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1nc(SCc2ccc(F)c(-c3nn[nH]n3)c2)[n-]c(=O)c1C ZINC000826327357 609182617 /nfs/dbraw/zinc/18/26/17/609182617.db2.gz DZOHQCLFIYRZKJ-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM Cn1nccc1CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826366517 609276257 /nfs/dbraw/zinc/27/62/57/609276257.db2.gz LZPRJMGVSZHERT-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM COCCN(CCC(=O)OC(C)(C)C)C(=O)c1ccc([O-])cc1F ZINC000890659649 675253163 /nfs/dbraw/zinc/25/31/63/675253163.db2.gz HNHSMKZWRRGGLZ-UHFFFAOYSA-N -1 1 341.379 2.352 20 0 EEADMM COC(=O)C(C)(C)[C@@H]1CCCN(CC(=O)[N-]OCc2ccccc2)C1 ZINC000093279353 675581492 /nfs/dbraw/zinc/58/14/92/675581492.db2.gz OWESMQZIGAXYRQ-MRXNPFEDSA-N -1 1 348.443 2.146 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(C)C ZINC000866869387 677953063 /nfs/dbraw/zinc/95/30/63/677953063.db2.gz UPXRHGOPYBSBNR-VIFPVBQESA-N -1 1 327.233 2.338 20 0 EEADMM Cn1ncc(C2CCC2)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615736 676725878 /nfs/dbraw/zinc/72/58/78/676725878.db2.gz SVDOANQQZLCRFD-UHFFFAOYSA-N -1 1 327.388 2.314 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccccc3F)[C@H](C)C2)c1[O-] ZINC000947205680 679859931 /nfs/dbraw/zinc/85/99/31/679859931.db2.gz UZIULPZOJCWBEE-BXUZGUMPSA-N -1 1 346.406 2.346 20 0 EEADMM O=C(NC[C@H]1CCN(C/C(Cl)=C\Cl)C1)c1ncccc1[O-] ZINC001028500796 681666335 /nfs/dbraw/zinc/66/63/35/681666335.db2.gz RWIWPGALAVYRQX-VUUNSECVSA-N -1 1 330.215 2.158 20 0 EEADMM O=C(NC[C@@H]1CCN(C/C(Cl)=C/Cl)C1)c1ncccc1[O-] ZINC001028500795 681666544 /nfs/dbraw/zinc/66/65/44/681666544.db2.gz RWIWPGALAVYRQX-OYUORYAFSA-N -1 1 330.215 2.158 20 0 EEADMM CN(C(=O)[C@H]1CCCC12CC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216820 681699462 /nfs/dbraw/zinc/69/94/62/681699462.db2.gz MSQLISLHPLHSFE-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)C[C@H]1CC=CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216954 681701716 /nfs/dbraw/zinc/70/17/16/681701716.db2.gz PKTWRWSXXXKIMT-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000937229092 681756542 /nfs/dbraw/zinc/75/65/42/681756542.db2.gz RYPGTFBMYMCYAJ-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982673936 682001248 /nfs/dbraw/zinc/00/12/48/682001248.db2.gz SMCCWTGESFNCFG-MGPQQGTHSA-N -1 1 345.443 2.048 20 0 EEADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1sc(N)nc1[O-] ZINC000162354287 682009998 /nfs/dbraw/zinc/00/99/98/682009998.db2.gz NGUMMZQOOGVFLJ-UONOGXRCSA-N -1 1 333.457 2.203 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(F)cc2F)co1 ZINC000163411653 682093615 /nfs/dbraw/zinc/09/36/15/682093615.db2.gz MNCAHXKUSPJSCQ-QMMMGPOBSA-N -1 1 345.323 2.384 20 0 EEADMM O=C(CC1=CCCCC1)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973099322 682124369 /nfs/dbraw/zinc/12/43/69/682124369.db2.gz SGIUBMSBUWZRIZ-HDJSIYSDSA-N -1 1 329.400 2.055 20 0 EEADMM O=C(CCC1CC1)N1CCCC[C@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025214395 682225226 /nfs/dbraw/zinc/22/52/26/682225226.db2.gz YSYBEVMXIZTRDU-CABCVRRESA-N -1 1 347.463 2.046 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C/C=C/Cl)C2)c1[O-] ZINC001025390150 682655117 /nfs/dbraw/zinc/65/51/17/682655117.db2.gz IXCLKZICVSGECL-UIALCFJWSA-N -1 1 326.828 2.007 20 0 EEADMM Cc1nc(CN2CCC[C@@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)co1 ZINC001025398427 682673331 /nfs/dbraw/zinc/67/33/31/682673331.db2.gz USSSCICJVVFHBV-GXTWGEPZSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1cccc2ncnc(N[C@H]3C[C@H](NC(=O)c4ncccc4[O-])C3)c12 ZINC001059200775 683198416 /nfs/dbraw/zinc/19/84/16/683198416.db2.gz AKCAWFCBMVPQHG-JOCQHMNTSA-N -1 1 349.394 2.412 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)C2=CCCC2)C1 ZINC000983738151 683224291 /nfs/dbraw/zinc/22/42/91/683224291.db2.gz CQNZKFDIWONSLU-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2)C1=CCCC1 ZINC001025900608 683607633 /nfs/dbraw/zinc/60/76/33/683607633.db2.gz ZWYGOJBQTKWIKD-HUUCEWRRSA-N -1 1 341.411 2.055 20 0 EEADMM CN(C(=O)C1(C)CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984124099 684126044 /nfs/dbraw/zinc/12/60/44/684126044.db2.gz WXDSLFPNGOHTJS-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccc(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)cc1F ZINC000909526584 684669875 /nfs/dbraw/zinc/66/98/75/684669875.db2.gz QVEDUPUPWWFAPM-ZDUSSCGKSA-N -1 1 343.358 2.130 20 0 EEADMM O=C(C[C@@H]1C=CCC1)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515427 686270983 /nfs/dbraw/zinc/27/09/83/686270983.db2.gz YNJJLTGQSKVWTI-CABCVRRESA-N -1 1 343.427 2.112 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228326 686321610 /nfs/dbraw/zinc/32/16/10/686321610.db2.gz VKIPXALQHIHZND-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938247676 694074558 /nfs/dbraw/zinc/07/45/58/694074558.db2.gz ZJHPNGSJCWCZOP-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1 ZINC000054294278 687117119 /nfs/dbraw/zinc/11/71/19/687117119.db2.gz RQZCPOWSNREPRD-UHFFFAOYSA-N -1 1 326.333 2.465 20 0 EEADMM CCC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000975955700 687180983 /nfs/dbraw/zinc/18/09/83/687180983.db2.gz PIJDYIZQGDRPOJ-KGLIPLIRSA-N -1 1 331.416 2.183 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979063922 694146043 /nfs/dbraw/zinc/14/60/43/694146043.db2.gz NXFNEVBUUOQFFK-XJFOESAGSA-N -1 1 345.443 2.094 20 0 EEADMM CN(Cc1cscn1)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001029959114 688699414 /nfs/dbraw/zinc/69/94/14/688699414.db2.gz DVIOWRZCMPNOMN-UHFFFAOYSA-N -1 1 346.456 2.228 20 0 EEADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@@H](CO)C(=O)[O-] ZINC000904053691 694276766 /nfs/dbraw/zinc/27/67/66/694276766.db2.gz SLVAUUMVJUWOTQ-ZDUSSCGKSA-N -1 1 337.807 2.184 20 0 EEADMM CC(C)c1nn(-c2ccccc2)c(Cl)c1CN[C@H](CO)C(=O)[O-] ZINC000904053690 694276831 /nfs/dbraw/zinc/27/68/31/694276831.db2.gz SLVAUUMVJUWOTQ-CYBMUJFWSA-N -1 1 337.807 2.184 20 0 EEADMM CCC1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCCC1 ZINC000866960423 689675645 /nfs/dbraw/zinc/67/56/45/689675645.db2.gz NNHQDOSPWNLPJZ-UHFFFAOYSA-N -1 1 336.255 2.421 20 0 EEADMM O=C([O-])c1cccc(CNCc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000263378158 689753538 /nfs/dbraw/zinc/75/35/38/689753538.db2.gz BAKTZCBSWSVJBL-UHFFFAOYSA-N -1 1 345.374 2.045 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC000987677254 689942877 /nfs/dbraw/zinc/94/28/77/689942877.db2.gz LEXSNNSPXWZVCG-RDBSUJKOSA-N -1 1 345.443 2.333 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987741976 690000268 /nfs/dbraw/zinc/00/02/68/690000268.db2.gz SRDKDRSILOCZSN-GJZGRUSLSA-N -1 1 343.427 2.064 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1)C(=O)c1ncccc1[O-] ZINC000987741986 690000401 /nfs/dbraw/zinc/00/04/01/690000401.db2.gz SRDKDRSILOCZSN-LSDHHAIUSA-N -1 1 343.427 2.064 20 0 EEADMM O=C(C=C1CCCCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937729378 690921506 /nfs/dbraw/zinc/92/15/06/690921506.db2.gz PUPUYSKTTHUAPF-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM CC(C)c1cnc(CN[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)o1 ZINC000988689399 691020378 /nfs/dbraw/zinc/02/03/78/691020378.db2.gz IOHHNWDFQCSCRG-CHWSQXEVSA-N -1 1 344.415 2.291 20 0 EEADMM CC1=CC[C@](C)(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000938052447 691195070 /nfs/dbraw/zinc/19/50/70/691195070.db2.gz JMTDZWXPSSDTRZ-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000938136919 691519960 /nfs/dbraw/zinc/51/99/60/691519960.db2.gz HVUVHCBHUUSBBZ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NC[C@H]2CCN2C)cc1 ZINC000905130684 694545711 /nfs/dbraw/zinc/54/57/11/694545711.db2.gz ICZGQZYIQNQWIC-APWZRJJASA-N -1 1 332.444 2.363 20 0 EEADMM Cc1cnc(C)nc1NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001060021669 692809750 /nfs/dbraw/zinc/80/97/50/692809750.db2.gz VYURBHNRTSDSBY-CQSZACIVSA-N -1 1 341.415 2.158 20 0 EEADMM CN1CCC[C@H]1C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000909379080 692971291 /nfs/dbraw/zinc/97/12/91/692971291.db2.gz CDTXLBANOWAKGY-STQMWFEESA-N -1 1 345.226 2.200 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)C1(c2cccc(Cl)c2)CCC1 ZINC000898756879 693441913 /nfs/dbraw/zinc/44/19/13/693441913.db2.gz MRGZWXUNMZJTDZ-UHFFFAOYSA-N -1 1 333.775 2.279 20 0 EEADMM CN(C[C@H](O)COCc1cccs1)[C@H](C(=O)[O-])c1ccccc1 ZINC000905369352 694626222 /nfs/dbraw/zinc/62/62/22/694626222.db2.gz MADJYSRDEXUCQX-HOCLYGCPSA-N -1 1 335.425 2.383 20 0 EEADMM CC[C@@]1(C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000943684479 1192473906 /nfs/dbraw/zinc/47/39/06/1192473906.db2.gz OHVSHINQLSVASI-FORMXFIPSA-N -1 1 345.443 2.381 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)c1noc(C)n1 ZINC000080793720 1177493237 /nfs/dbraw/zinc/49/32/37/1177493237.db2.gz GOIJWQXRYGNITN-NSHDSACASA-N -1 1 345.808 2.470 20 0 EEADMM O=C(c1ccc([O-])cc1Cl)N1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001269762726 1184599441 /nfs/dbraw/zinc/59/94/41/1184599441.db2.gz ALLBITCLXRRQOU-DIFFPNOSSA-N -1 1 332.787 2.049 20 0 EEADMM CC(C)CN1CC2(CCC1=O)CCN(C(=O)c1cncc([O-])c1)CC2 ZINC001271385243 1186176605 /nfs/dbraw/zinc/17/66/05/1186176605.db2.gz GAIJKHDRXPZPQR-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)c1cnc(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)o1 ZINC001088539408 1187189033 /nfs/dbraw/zinc/18/90/33/1187189033.db2.gz YBCMMYJFFWLEOT-OLZOCXBDSA-N -1 1 344.415 2.291 20 0 EEADMM CN1CC2(CCC1=O)CCN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001272248828 1188642493 /nfs/dbraw/zinc/64/24/93/1188642493.db2.gz DOXWQCCBUPPAEA-UHFFFAOYSA-N -1 1 338.354 2.145 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001076244872 1188806712 /nfs/dbraw/zinc/80/67/12/1188806712.db2.gz DOTSCRYFWKTJJM-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1nc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(C)s1 ZINC001483329854 1190359186 /nfs/dbraw/zinc/35/91/86/1190359186.db2.gz NIEDQSLXTIRZCJ-SNVBAGLBSA-N -1 1 334.445 2.111 20 0 EEADMM O=C(CCC1CC1)NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001409802845 1190631925 /nfs/dbraw/zinc/63/19/25/1190631925.db2.gz CQVYWMMOUQAIAA-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CN(CCC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)CC1CC1 ZINC001409838420 1190670056 /nfs/dbraw/zinc/67/00/56/1190670056.db2.gz GHCLIRPWPIUKBV-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)=CCN1CC[C@]2(CCCN2C(=O)c2nc(C)ccc2[O-])C1=O ZINC001272386505 1190796137 /nfs/dbraw/zinc/79/61/37/1190796137.db2.gz JRQKKHASUNZLKW-LJQANCHMSA-N -1 1 343.427 2.269 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@]23CCN(CC(F)F)C3=O)cc1 ZINC001272968547 1194277345 /nfs/dbraw/zinc/27/73/45/1194277345.db2.gz CPRFTKFJZPBJTE-QGZVFWFLSA-N -1 1 338.354 2.217 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCC1CCCC1 ZINC001011434559 1224214653 /nfs/dbraw/zinc/21/46/53/1224214653.db2.gz WMDOEAVWALSIAT-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM CC1(C)C[C@H]1C(=O)NC[C@@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001005400122 1195371774 /nfs/dbraw/zinc/37/17/74/1195371774.db2.gz SEFNAXFAUVURAM-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001005405446 1195384773 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1348938404 /nfs/dbraw/zinc/93/84/04/1348938404.db2.gz CWXGNTFJHVSPAU-UHFFFAOYSA-N -1 1 340.343 2.003 20 0 EEADMM CC(=O)N(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001588800133 1348938406 /nfs/dbraw/zinc/93/84/06/1348938406.db2.gz CWXGNTFJHVSPAU-UHFFFAOYSA-N -1 1 340.343 2.003 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589134200 1348963551 /nfs/dbraw/zinc/96/35/51/1348963551.db2.gz LCINMXGGSCJGTD-UHFFFAOYSA-N -1 1 326.360 2.296 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589134200 1348963555 /nfs/dbraw/zinc/96/35/55/1348963555.db2.gz LCINMXGGSCJGTD-UHFFFAOYSA-N -1 1 326.360 2.296 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001589193155 1348968024 /nfs/dbraw/zinc/96/80/24/1348968024.db2.gz JGJFBOPFEACHJV-WDEREUQCSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001589193155 1348968029 /nfs/dbraw/zinc/96/80/29/1348968029.db2.gz JGJFBOPFEACHJV-WDEREUQCSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@@H](F)C2)n1 ZINC001589248971 1348974562 /nfs/dbraw/zinc/97/45/62/1348974562.db2.gz FMHHAAKRULESRL-NXEZZACHSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@@H](F)C2)n1 ZINC001589248971 1348974564 /nfs/dbraw/zinc/97/45/64/1348974564.db2.gz FMHHAAKRULESRL-NXEZZACHSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(CNc1cc(-c2nnn[n-]2)ncn1)Oc1cc(F)cc(F)c1 ZINC001589288636 1348980397 /nfs/dbraw/zinc/98/03/97/1348980397.db2.gz PKSKAGWWQBHORQ-UHFFFAOYSA-N -1 1 347.329 2.204 20 0 EEADMM CC(C)(CNc1cc(-c2nn[n-]n2)ncn1)Oc1cc(F)cc(F)c1 ZINC001589288636 1348980401 /nfs/dbraw/zinc/98/04/01/1348980401.db2.gz PKSKAGWWQBHORQ-UHFFFAOYSA-N -1 1 347.329 2.204 20 0 EEADMM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001589504235 1348998031 /nfs/dbraw/zinc/99/80/31/1348998031.db2.gz UWFYMJMLSIFXIM-KBPBESRZSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001589504235 1348998034 /nfs/dbraw/zinc/99/80/34/1348998034.db2.gz UWFYMJMLSIFXIM-KBPBESRZSA-N -1 1 328.420 2.135 20 0 EEADMM CC(C)[C@@H]1N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001589517797 1348999588 /nfs/dbraw/zinc/99/95/88/1348999588.db2.gz CLXFLNZNFLZQKM-LBPRGKRZSA-N -1 1 347.448 2.043 20 0 EEADMM CC(C)[C@@H]1N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001589517797 1348999591 /nfs/dbraw/zinc/99/95/91/1348999591.db2.gz CLXFLNZNFLZQKM-LBPRGKRZSA-N -1 1 347.448 2.043 20 0 EEADMM CC(C)c1ccccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589772598 1349035666 /nfs/dbraw/zinc/03/56/66/1349035666.db2.gz VWTYVGYQIVOZDN-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM CC(C)c1ccccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589772598 1349035673 /nfs/dbraw/zinc/03/56/73/1349035673.db2.gz VWTYVGYQIVOZDN-UHFFFAOYSA-N -1 1 338.371 2.403 20 0 EEADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC001589794634 1349044631 /nfs/dbraw/zinc/04/46/31/1349044631.db2.gz PLXDRFVTKBCSLX-VIFPVBQESA-N -1 1 345.794 2.451 20 0 EEADMM C[C@H](Cc1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589903350 1349058625 /nfs/dbraw/zinc/05/86/25/1349058625.db2.gz ZUIQBLMLSQOFSN-MRVPVSSYSA-N -1 1 348.819 2.338 20 0 EEADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590104009 1349157691 /nfs/dbraw/zinc/15/76/91/1349157691.db2.gz PHWYCWJWBWTPFR-UHFFFAOYSA-N -1 1 337.383 2.436 20 0 EEADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590104009 1349157699 /nfs/dbraw/zinc/15/76/99/1349157699.db2.gz PHWYCWJWBWTPFR-UHFFFAOYSA-N -1 1 337.383 2.436 20 0 EEADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590140426 1349172900 /nfs/dbraw/zinc/17/29/00/1349172900.db2.gz UAJYSMDXSGAPJD-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590140426 1349172903 /nfs/dbraw/zinc/17/29/03/1349172903.db2.gz UAJYSMDXSGAPJD-KRWDZBQOSA-N -1 1 339.378 2.397 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590225406 1349210533 /nfs/dbraw/zinc/21/05/33/1349210533.db2.gz DMTDZRYWXWXYDI-NQBHXWOUSA-N -1 1 347.423 2.006 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590225406 1349210538 /nfs/dbraw/zinc/21/05/38/1349210538.db2.gz DMTDZRYWXWXYDI-NQBHXWOUSA-N -1 1 347.423 2.006 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590226601 1349212130 /nfs/dbraw/zinc/21/21/30/1349212130.db2.gz QUQLDPVJZJCCJY-KWCYVHTRSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590226601 1349212137 /nfs/dbraw/zinc/21/21/37/1349212137.db2.gz QUQLDPVJZJCCJY-KWCYVHTRSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1CC[C@@H](CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001590231332 1349215500 /nfs/dbraw/zinc/21/55/00/1349215500.db2.gz XFEIXVCLVSYFPM-GHMZBOCLSA-N -1 1 342.403 2.099 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001590349034 1349278974 /nfs/dbraw/zinc/27/89/74/1349278974.db2.gz URYZFMULMWUGHF-NJHLSQGMSA-N -1 1 347.448 2.001 20 0 EEADMM CC/C(C)=C/C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590386579 1349298771 /nfs/dbraw/zinc/29/87/71/1349298771.db2.gz VSBLJZRJHPDFSI-MXMFLMJRSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@@H](C)C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC ZINC001590405031 1349307108 /nfs/dbraw/zinc/30/71/08/1349307108.db2.gz UVUMHDSSMQDEKH-RQJHMYQMSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](C)C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC ZINC001590405031 1349307114 /nfs/dbraw/zinc/30/71/14/1349307114.db2.gz UVUMHDSSMQDEKH-RQJHMYQMSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](C)N(CC)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590411090 1349311131 /nfs/dbraw/zinc/31/11/31/1349311131.db2.gz BBXNNVKDOMQMEF-SNVBAGLBSA-N -1 1 330.396 2.363 20 0 EEADMM CC[C@@H](C)N(CC)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590411090 1349311136 /nfs/dbraw/zinc/31/11/36/1349311136.db2.gz BBXNNVKDOMQMEF-SNVBAGLBSA-N -1 1 330.396 2.363 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2cc(-c3nnn[n-]3)nc(C)n2)ccn1 ZINC001590416508 1349314233 /nfs/dbraw/zinc/31/42/33/1349314233.db2.gz NDAPFQPDHDLFBI-JTQLQIEISA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@H](C)Oc1cc(CNc2cc(-c3nn[n-]n3)nc(C)n2)ccn1 ZINC001590416508 1349314234 /nfs/dbraw/zinc/31/42/34/1349314234.db2.gz NDAPFQPDHDLFBI-JTQLQIEISA-N -1 1 340.391 2.150 20 0 EEADMM CCC(CC)(CC)CNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590427189 1349318896 /nfs/dbraw/zinc/31/88/96/1349318896.db2.gz KIVZMNMVXYXXEM-UHFFFAOYSA-N -1 1 337.453 2.339 20 0 EEADMM CCC(CC)(CC)CNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590427189 1349318902 /nfs/dbraw/zinc/31/89/02/1349318902.db2.gz KIVZMNMVXYXXEM-UHFFFAOYSA-N -1 1 337.453 2.339 20 0 EEADMM CC[C@@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC001590460107 1349336888 /nfs/dbraw/zinc/33/68/88/1349336888.db2.gz WBYLCRSJMQTPLV-CYBMUJFWSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC001590460107 1349336892 /nfs/dbraw/zinc/33/68/92/1349336892.db2.gz WBYLCRSJMQTPLV-CYBMUJFWSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](OCCn1cc(-c2nn[n-]n2)ccc1=O)c1ccccc1 ZINC001590478977 1349351680 /nfs/dbraw/zinc/35/16/80/1349351680.db2.gz IIYXNRJTUHEBFZ-HNNXBMFYSA-N -1 1 325.372 2.196 20 0 EEADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590505795 1349358798 /nfs/dbraw/zinc/35/87/98/1349358798.db2.gz CGQUMVZHBWROBM-UWVGGRQHSA-N -1 1 334.811 2.471 20 0 EEADMM CC[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511899 1349361715 /nfs/dbraw/zinc/36/17/15/1349361715.db2.gz OESWYXRZAVRVRG-QWRGUYRKSA-N -1 1 339.421 2.049 20 0 EEADMM CN(C)c1nnc(Sc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001591038312 1349433377 /nfs/dbraw/zinc/43/33/77/1349433377.db2.gz SGCHOMZPDLZHEQ-UHFFFAOYSA-N -1 1 346.854 2.045 20 0 EEADMM CCOC(OCC)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590785856 1349399595 /nfs/dbraw/zinc/39/95/95/1349399595.db2.gz WJLXRIFBVUDXGJ-LURJTMIESA-N -1 1 332.817 2.176 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C12CCCC2 ZINC001590790591 1349401050 /nfs/dbraw/zinc/40/10/50/1349401050.db2.gz DOGVRKTVBOSBPD-HUUCEWRRSA-N -1 1 328.420 2.142 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C12CCCC2 ZINC001590790591 1349401053 /nfs/dbraw/zinc/40/10/53/1349401053.db2.gz DOGVRKTVBOSBPD-HUUCEWRRSA-N -1 1 328.420 2.142 20 0 EEADMM CCc1cc(C(=O)OC)ccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590880877 1349408837 /nfs/dbraw/zinc/40/88/37/1349408837.db2.gz GSIUZFSPIBAFGN-UHFFFAOYSA-N -1 1 341.327 2.061 20 0 EEADMM CCc1cc(C(=O)OC)ccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590880877 1349408840 /nfs/dbraw/zinc/40/88/40/1349408840.db2.gz GSIUZFSPIBAFGN-UHFFFAOYSA-N -1 1 341.327 2.061 20 0 EEADMM CCc1nc(Cc2noc(-c3cc(-c4nnn[n-]4)oc3C)n2)cs1 ZINC001590913699 1349410663 /nfs/dbraw/zinc/41/06/63/1349410663.db2.gz FMNUNIFKYMRQIF-UHFFFAOYSA-N -1 1 343.372 2.428 20 0 EEADMM CCc1nc(Cc2noc(-c3cc(-c4nn[n-]n4)oc3C)n2)cs1 ZINC001590913699 1349410675 /nfs/dbraw/zinc/41/06/75/1349410675.db2.gz FMNUNIFKYMRQIF-UHFFFAOYSA-N -1 1 343.372 2.428 20 0 EEADMM CCn1c(C)nnc1Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590944693 1349421331 /nfs/dbraw/zinc/42/13/31/1349421331.db2.gz PLBBSCGEFYFBMC-UHFFFAOYSA-N -1 1 328.814 2.048 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC001590992397 1349428548 /nfs/dbraw/zinc/42/85/48/1349428548.db2.gz LCHPEWGIRRJATE-CQSZACIVSA-N -1 1 349.354 2.044 20 0 EEADMM COC[C@@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001591382203 1349475764 /nfs/dbraw/zinc/47/57/64/1349475764.db2.gz FIYFYKRXVMGQPB-OAHLLOKOSA-N -1 1 346.341 2.070 20 0 EEADMM COC[C@@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001591382203 1349475767 /nfs/dbraw/zinc/47/57/67/1349475767.db2.gz FIYFYKRXVMGQPB-OAHLLOKOSA-N -1 1 346.341 2.070 20 0 EEADMM COc1ccccc1C[C@@H](C)N(C)c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591653719 1349525787 /nfs/dbraw/zinc/52/57/87/1349525787.db2.gz UYCLYURBNXICRH-LLVKDONJSA-N -1 1 339.403 2.041 20 0 EEADMM COc1ccccc1C[C@@H](C)N(C)c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591653719 1349525792 /nfs/dbraw/zinc/52/57/92/1349525792.db2.gz UYCLYURBNXICRH-LLVKDONJSA-N -1 1 339.403 2.041 20 0 EEADMM Cc1cccc(C)c1OCCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001592228213 1349612151 /nfs/dbraw/zinc/61/21/51/1349612151.db2.gz QWEYHMHWVWSHNE-UHFFFAOYSA-N -1 1 337.387 2.402 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C(C)C)oc2C)c1-c1nnn[n-]1 ZINC001592432758 1349631900 /nfs/dbraw/zinc/63/19/00/1349631900.db2.gz IQUDXLVBSZCJLF-UHFFFAOYSA-N -1 1 329.364 2.186 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C(C)C)oc2C)c1-c1nn[n-]n1 ZINC001592432758 1349631903 /nfs/dbraw/zinc/63/19/03/1349631903.db2.gz IQUDXLVBSZCJLF-UHFFFAOYSA-N -1 1 329.364 2.186 20 0 EEADMM Cc1nn2c(c1Cl)N(C(=O)c1ccc(-c3nnn[n-]3)s1)CCC2 ZINC001592438443 1349631928 /nfs/dbraw/zinc/63/19/28/1349631928.db2.gz ZZXFNZIKLZJXPH-UHFFFAOYSA-N -1 1 349.807 2.137 20 0 EEADMM Cc1nn2c(c1Cl)N(C(=O)c1ccc(-c3nn[n-]n3)s1)CCC2 ZINC001592438443 1349631929 /nfs/dbraw/zinc/63/19/29/1349631929.db2.gz ZZXFNZIKLZJXPH-UHFFFAOYSA-N -1 1 349.807 2.137 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1-c1nnn[n-]1 ZINC001592479465 1349635842 /nfs/dbraw/zinc/63/58/42/1349635842.db2.gz OKLDSMNMZACWEG-JTQLQIEISA-N -1 1 348.432 2.310 20 0 EEADMM Cc1nsc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1-c1nn[n-]n1 ZINC001592479465 1349635845 /nfs/dbraw/zinc/63/58/45/1349635845.db2.gz OKLDSMNMZACWEG-JTQLQIEISA-N -1 1 348.432 2.310 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC001592498601 1349637217 /nfs/dbraw/zinc/63/72/17/1349637217.db2.gz ACOOGDAPAORTEW-OAHLLOKOSA-N -1 1 338.371 2.434 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC001592498601 1349637218 /nfs/dbraw/zinc/63/72/18/1349637218.db2.gz ACOOGDAPAORTEW-OAHLLOKOSA-N -1 1 338.371 2.434 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C1(C)CC1 ZINC001592504513 1349643218 /nfs/dbraw/zinc/64/32/18/1349643218.db2.gz BWWVXQLLRJFYHL-NSHDSACASA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C1(C)CC1 ZINC001592504513 1349643222 /nfs/dbraw/zinc/64/32/22/1349643222.db2.gz BWWVXQLLRJFYHL-NSHDSACASA-N -1 1 340.387 2.477 20 0 EEADMM Clc1ccc(N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001592531977 1349649290 /nfs/dbraw/zinc/64/92/90/1349649290.db2.gz FHKSGHHXXMFTMW-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001592531977 1349649291 /nfs/dbraw/zinc/64/92/91/1349649291.db2.gz FHKSGHHXXMFTMW-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001592534404 1349650381 /nfs/dbraw/zinc/65/03/81/1349650381.db2.gz NPCRHNYBOMNTJY-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534404 1349650382 /nfs/dbraw/zinc/65/03/82/1349650382.db2.gz NPCRHNYBOMNTJY-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM FC(F)(F)c1cc(NCc2ccns2)nc(-c2nnn[n-]2)c1 ZINC001592619738 1349674940 /nfs/dbraw/zinc/67/49/40/1349674940.db2.gz SIVZHHUIZNUVMQ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1cc(NCc2ccns2)nc(-c2nn[n-]n2)c1 ZINC001592619738 1349674944 /nfs/dbraw/zinc/67/49/44/1349674944.db2.gz SIVZHHUIZNUVMQ-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)C(F)(F)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592625207 1349677433 /nfs/dbraw/zinc/67/74/33/1349677433.db2.gz STGDBKBLBUEFQM-UHFFFAOYSA-N -1 1 327.245 2.026 20 0 EEADMM Fc1cc(F)cc(Cc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001592642180 1349689342 /nfs/dbraw/zinc/68/93/42/1349689342.db2.gz KKZWHJFRRUAESA-UHFFFAOYSA-N -1 1 330.254 2.379 20 0 EEADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1csc(-c2nn[n-]n2)c1 ZINC001592996287 1349732430 /nfs/dbraw/zinc/73/24/30/1349732430.db2.gz HYNBUIPTKPSKEY-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1nc(C2CC2)cs1 ZINC001593137001 1349739736 /nfs/dbraw/zinc/73/97/36/1349739736.db2.gz MAYUNKFVIVGNMA-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1nccc2c1CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593154066 1349743300 /nfs/dbraw/zinc/74/33/00/1349743300.db2.gz UQZHLAJCYLDOFV-UHFFFAOYSA-N -1 1 340.412 2.132 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC001593180860 1349744326 /nfs/dbraw/zinc/74/43/26/1349744326.db2.gz SMPVUEMIFIZNRO-WDEREUQCSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC001593180860 1349744331 /nfs/dbraw/zinc/74/43/31/1349744331.db2.gz SMPVUEMIFIZNRO-WDEREUQCSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc2c(o1)CCCC2 ZINC001593196268 1349745040 /nfs/dbraw/zinc/74/50/40/1349745040.db2.gz LJFLNUVIKSOITI-UHFFFAOYSA-N -1 1 339.359 2.191 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ccncc1 ZINC001593244750 1349749497 /nfs/dbraw/zinc/74/94/97/1349749497.db2.gz ZKYFWORQFVGFMG-ZDUSSCGKSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ccncc1 ZINC001593244750 1349749504 /nfs/dbraw/zinc/74/95/04/1349749504.db2.gz ZKYFWORQFVGFMG-ZDUSSCGKSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593282533 1349761279 /nfs/dbraw/zinc/76/12/79/1349761279.db2.gz XVEFFNCAIFSWFR-RAIGVLPGSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593282533 1349761280 /nfs/dbraw/zinc/76/12/80/1349761280.db2.gz XVEFFNCAIFSWFR-RAIGVLPGSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(OC[C@H]1CC1(F)F)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593284508 1349762960 /nfs/dbraw/zinc/76/29/60/1349762960.db2.gz KLXIDYXNQDWRFD-ZCFIWIBFSA-N -1 1 349.219 2.093 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCC2(CCCC2)C1 ZINC001593334838 1349782314 /nfs/dbraw/zinc/78/23/14/1349782314.db2.gz BWNXCNDUDCCYPJ-UHFFFAOYSA-N -1 1 332.795 2.321 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593367542 1349791784 /nfs/dbraw/zinc/79/17/84/1349791784.db2.gz LUNSLIVIKQORRY-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593367542 1349791787 /nfs/dbraw/zinc/79/17/87/1349791787.db2.gz LUNSLIVIKQORRY-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H](OC2CCC2)C1 ZINC001593370709 1349791795 /nfs/dbraw/zinc/79/17/95/1349791795.db2.gz GGCGIYHQRHFFJW-LBPRGKRZSA-N -1 1 333.417 2.102 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ncc(Cl)s1)CCCC2 ZINC001593490453 1349817181 /nfs/dbraw/zinc/81/71/81/1349817181.db2.gz HVKXWKSUYJYDKS-UHFFFAOYSA-N -1 1 348.819 2.065 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCCCCn2cccn2)c2ccccc12 ZINC001593494526 1349819681 /nfs/dbraw/zinc/81/96/81/1349819681.db2.gz JEXAQSPGTWNFRB-UHFFFAOYSA-N -1 1 349.398 2.249 20 0 EEADMM O[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC001593507785 1349823529 /nfs/dbraw/zinc/82/35/29/1349823529.db2.gz VIAAEPOZBKJYDC-ZDUSSCGKSA-N -1 1 338.396 2.044 20 0 EEADMM O[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC001593507785 1349823538 /nfs/dbraw/zinc/82/35/38/1349823538.db2.gz VIAAEPOZBKJYDC-ZDUSSCGKSA-N -1 1 338.396 2.044 20 0 EEADMM c1c(NCCC[C@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543146 1349838143 /nfs/dbraw/zinc/83/81/43/1349838143.db2.gz DDJYNCKSKZXQFT-GFCCVEGCSA-N -1 1 329.408 2.295 20 0 EEADMM c1c(NCCC[C@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543146 1349838145 /nfs/dbraw/zinc/83/81/45/1349838145.db2.gz DDJYNCKSKZXQFT-GFCCVEGCSA-N -1 1 329.408 2.295 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543428 1349839034 /nfs/dbraw/zinc/83/90/34/1349839034.db2.gz OEOKWVNCBSSZHQ-HIFRSBDPSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543428 1349839041 /nfs/dbraw/zinc/83/90/41/1349839041.db2.gz OEOKWVNCBSSZHQ-HIFRSBDPSA-N -1 1 341.419 2.294 20 0 EEADMM c1cc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc2c1OCC2 ZINC001593563734 1349851013 /nfs/dbraw/zinc/85/10/13/1349851013.db2.gz FJDAOBPSRZVUQA-UHFFFAOYSA-N -1 1 349.398 2.124 20 0 EEADMM c1cc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc2c1OCC2 ZINC001593563734 1349851016 /nfs/dbraw/zinc/85/10/16/1349851016.db2.gz FJDAOBPSRZVUQA-UHFFFAOYSA-N -1 1 349.398 2.124 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]3CCC[C@H]23)cc1 ZINC001593572689 1349857044 /nfs/dbraw/zinc/85/70/44/1349857044.db2.gz DNYHQRNIWPWICA-QLFBSQMISA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCOCC1CCC1 ZINC001593579699 1349860992 /nfs/dbraw/zinc/86/09/92/1349860992.db2.gz BPDHKRSBWUIACF-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCOCC1CCC1 ZINC001593579699 1349860996 /nfs/dbraw/zinc/86/09/96/1349860996.db2.gz BPDHKRSBWUIACF-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CCO2)c1 ZINC001593588938 1349867787 /nfs/dbraw/zinc/86/77/87/1349867787.db2.gz JYKZTUHCQYKAEW-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CCO2)c1 ZINC001593588938 1349867792 /nfs/dbraw/zinc/86/77/92/1349867792.db2.gz JYKZTUHCQYKAEW-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2c[nH]c(C(=O)[O-])c2)N2CCCC2)o1 ZINC001600377036 1350034101 /nfs/dbraw/zinc/03/41/01/1350034101.db2.gz GTDCYDWMSQUMPM-AWEZNQCLSA-N -1 1 331.372 2.181 20 0 EEADMM Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(C(=O)[O-])cn2)c(C)c1 ZINC001600468637 1350059363 /nfs/dbraw/zinc/05/93/63/1350059363.db2.gz NWMNKSRFMLTOQF-KRWDZBQOSA-N -1 1 344.411 2.268 20 0 EEADMM Cc1ccc2c(CC(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])coc2c1C ZINC001600490761 1350064216 /nfs/dbraw/zinc/06/42/16/1350064216.db2.gz SPPNHRXDSQJYEG-OAHLLOKOSA-N -1 1 341.367 2.127 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)NCc3ccc(C(=O)[O-])o3)c(=O)c2c1 ZINC001600504015 1350068207 /nfs/dbraw/zinc/06/82/07/1350068207.db2.gz QAJHQQYKPLCALE-UHFFFAOYSA-N -1 1 326.308 2.058 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)c21 ZINC001600554606 1350080900 /nfs/dbraw/zinc/08/09/00/1350080900.db2.gz GVDGWXGMEYYXPW-CQSZACIVSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccccc1C(F)(F)CNS(=O)(=O)c1occc1C(=O)[O-] ZINC001600570701 1350085696 /nfs/dbraw/zinc/08/56/96/1350085696.db2.gz BNUMEEKTDNSYOB-UHFFFAOYSA-N -1 1 345.323 2.357 20 0 EEADMM Cc1ccccc1CCC[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600578298 1350087927 /nfs/dbraw/zinc/08/79/27/1350087927.db2.gz CYXRTVDIDFXNTR-KOHRHEQBSA-N -1 1 331.412 2.425 20 0 EEADMM Cc1cnn(C)c1CN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001600636008 1350103156 /nfs/dbraw/zinc/10/31/56/1350103156.db2.gz XJYKQLRAGBVRMY-UHFFFAOYSA-N -1 1 334.445 2.338 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600670669 1350114017 /nfs/dbraw/zinc/11/40/17/1350114017.db2.gz IBZNQISMDNPPGA-KRWDZBQOSA-N -1 1 348.378 2.084 20 0 EEADMM Cc1ncc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cn1 ZINC001600736135 1350124357 /nfs/dbraw/zinc/12/43/57/1350124357.db2.gz QKQDXMSXIDSFOF-LSDHHAIUSA-N -1 1 333.338 2.363 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001600792066 1350138404 /nfs/dbraw/zinc/13/84/04/1350138404.db2.gz JVMPHRIXGJQVHU-SSDOTTSWSA-N -1 1 328.332 2.175 20 0 EEADMM Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])[nH]1 ZINC001600798953 1350140097 /nfs/dbraw/zinc/14/00/97/1350140097.db2.gz KODIIBHRADBUGW-LURJTMIESA-N -1 1 326.403 2.301 20 0 EEADMM Cc1n[nH]c(S[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])n1 ZINC001600798953 1350140099 /nfs/dbraw/zinc/14/00/99/1350140099.db2.gz KODIIBHRADBUGW-LURJTMIESA-N -1 1 326.403 2.301 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001600826003 1350145752 /nfs/dbraw/zinc/14/57/52/1350145752.db2.gz CQEYGIVGOVPKAN-UHFFFAOYSA-N -1 1 331.303 2.274 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H](O)COC(C)C)nc1C(=O)[O-] ZINC001600882087 1350159263 /nfs/dbraw/zinc/15/92/63/1350159263.db2.gz IWFKQKLEOPUJKN-RYUDHWBXSA-N -1 1 328.434 2.073 20 0 EEADMM Cc1sc(NC(=O)CN2C[C@@H]3CSC[C@@H]3C2)c(C(=O)[O-])c1C ZINC001600887178 1350160294 /nfs/dbraw/zinc/16/02/94/1350160294.db2.gz JJPWZMDFWPWOFX-PHIMTYICSA-N -1 1 340.470 2.296 20 0 EEADMM O=C([O-])c1ccoc1COC(=O)CC1(N2CCOCC2)CCCC1 ZINC001601246741 1350240947 /nfs/dbraw/zinc/24/09/47/1350240947.db2.gz BHAMHRATLNVIFY-UHFFFAOYSA-N -1 1 337.372 2.056 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NC(=O)CCCCc2cn[nH]n2)c1O ZINC001601267387 1350245172 /nfs/dbraw/zinc/24/51/72/1350245172.db2.gz GJUARQVUKYUOEF-UHFFFAOYSA-N -1 1 338.751 2.213 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1F ZINC001601399880 1350274577 /nfs/dbraw/zinc/27/45/77/1350274577.db2.gz SOAMXIDBUYWTOH-OAHLLOKOSA-N -1 1 340.310 2.223 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccnc(-n4ccnc4)c3)[nH]c21 ZINC001601630958 1350323700 /nfs/dbraw/zinc/32/37/00/1350323700.db2.gz NUALIHVSNZDNET-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692304 1350339749 /nfs/dbraw/zinc/33/97/49/1350339749.db2.gz ZGMDWZVEDIXITO-RDDDGLTNSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@H]1NCc1nc2ccccn2c1Br ZINC001601809954 1350369797 /nfs/dbraw/zinc/36/97/97/1350369797.db2.gz URNLIKQNWILFLA-NXEZZACHSA-N -1 1 338.205 2.440 20 0 EEADMM O=C([O-])[C@@H]1CSCCN(Cc2ccn(CCc3ccccc3)n2)C1 ZINC001601858142 1350381972 /nfs/dbraw/zinc/38/19/72/1350381972.db2.gz YKGCVVINMOGGAB-INIZCTEOSA-N -1 1 345.468 2.375 20 0 EEADMM O=C([O-])/C=C\c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)o1 ZINC001601879085 1350388574 /nfs/dbraw/zinc/38/85/74/1350388574.db2.gz FNMYTXLEGAMZIU-CKXPSTMWSA-N -1 1 332.400 2.354 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1ccn(-c2ccncc2)n1)c1cccs1 ZINC001601905386 1350394016 /nfs/dbraw/zinc/39/40/16/1350394016.db2.gz DTGRCDCPLGHCTK-ZDUSSCGKSA-N -1 1 342.380 2.275 20 0 EEADMM O=C([O-])CC1CC(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)C1 ZINC001601944075 1350402518 /nfs/dbraw/zinc/40/25/18/1350402518.db2.gz QPDUFQIIASPGRX-NRXISQOPSA-N -1 1 349.431 2.359 20 0 EEADMM O=C([O-])CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1O ZINC001601974081 1350408731 /nfs/dbraw/zinc/40/87/31/1350408731.db2.gz WMZYNQVNMMFXPE-CQSZACIVSA-N -1 1 349.408 2.147 20 0 EEADMM O=C([O-])COc1ccccc1CNC[C@]12OCCC[C@H]1C2(F)F ZINC001602095305 1350436155 /nfs/dbraw/zinc/43/61/55/1350436155.db2.gz OTHIDNKWGZYMMV-HIFRSBDPSA-N -1 1 327.327 2.054 20 0 EEADMM O=C([O-])[C@]12CN(Cc3cc(Cl)nc(Cl)c3)C[C@H]1COCC2 ZINC001602207635 1350466000 /nfs/dbraw/zinc/46/60/00/1350466000.db2.gz DJECIYLTKKYOKY-IINYFYTJSA-N -1 1 331.199 2.312 20 0 EEADMM O=C([O-])c1cccc(OCc2noc(-c3cccc4[nH]nnc43)n2)c1 ZINC001602450983 1350521697 /nfs/dbraw/zinc/52/16/97/1350521697.db2.gz LGXFFXZORSMJPV-UHFFFAOYSA-N -1 1 337.295 2.285 20 0 EEADMM O=C([O-])c1coc(CNCc2ccc(Cn3ccccc3=O)cc2)c1 ZINC001602556757 1350545662 /nfs/dbraw/zinc/54/56/62/1350545662.db2.gz VOLGZGXOQKRXEE-UHFFFAOYSA-N -1 1 338.363 2.478 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001602587199 1350552254 /nfs/dbraw/zinc/55/22/54/1350552254.db2.gz WQNYHAVAIGBTBN-ONGXEEELSA-N -1 1 342.373 2.278 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c(O)cccc2F)C1 ZINC001602621831 1350559454 /nfs/dbraw/zinc/55/94/54/1350559454.db2.gz CXRZSIVOWRFGTJ-GOSISDBHSA-N -1 1 329.327 2.400 20 0 EEADMM 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ISMRDMVBZDSGRS-LLVKDONJSA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCOC2(CCC2)C1 ZINC001606169388 1351280503 /nfs/dbraw/zinc/28/05/03/1351280503.db2.gz ISMRDMVBZDSGRS-LLVKDONJSA-N -1 1 332.360 2.274 20 0 EEADMM Clc1nsc(N[C@@H]2CCO[C@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001606200753 1351284578 /nfs/dbraw/zinc/28/45/78/1351284578.db2.gz DJLYKIFGYMHKIE-SFYZADRCSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCO[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001606200753 1351284582 /nfs/dbraw/zinc/28/45/82/1351284582.db2.gz DJLYKIFGYMHKIE-SFYZADRCSA-N -1 1 326.813 2.346 20 0 EEADMM Fc1cc(-c2ncco2)ccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001606306721 1351290489 /nfs/dbraw/zinc/29/04/89/1351290489.db2.gz LUPQCZAIZAPNLC-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM COC(=O)C1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001606412226 1351302028 /nfs/dbraw/zinc/30/20/28/1351302028.db2.gz XOBBKIJAAJJRLI-UHFFFAOYSA-N -1 1 348.374 2.401 20 0 EEADMM O=C(C[NH+]1CCC(C2CCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC001606545968 1351320588 /nfs/dbraw/zinc/32/05/88/1351320588.db2.gz ZKWBQXPFMNORDR-UHFFFAOYSA-N -1 1 346.460 2.379 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1cc(Cl)ccc1F ZINC001606598865 1351329988 /nfs/dbraw/zinc/32/99/88/1351329988.db2.gz WZTRLBWYJOAAKH-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1cc(Cl)ccc1F ZINC001606598865 1351329991 /nfs/dbraw/zinc/32/99/91/1351329991.db2.gz WZTRLBWYJOAAKH-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc2ccsc2[nH]1 ZINC001606892883 1351371075 /nfs/dbraw/zinc/37/10/75/1351371075.db2.gz YRCWCHWWEFGDMX-UHFFFAOYSA-N -1 1 340.372 2.262 20 0 EEADMM O=C(Nc1nc(-c2ccccc2)ns1)c1coc(-c2nn[n-]n2)c1 ZINC001606951026 1351382957 /nfs/dbraw/zinc/38/29/57/1351382957.db2.gz YFUQMOYKRNWRTM-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606968091 1351387048 /nfs/dbraw/zinc/38/70/48/1351387048.db2.gz GIFVVOZHEFTVIQ-UHFFFAOYSA-N -1 1 339.355 2.025 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606968091 1351387051 /nfs/dbraw/zinc/38/70/51/1351387051.db2.gz GIFVVOZHEFTVIQ-UHFFFAOYSA-N -1 1 339.355 2.025 20 0 EEADMM O=C(OCc1ccccc1OC(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606983449 1351392248 /nfs/dbraw/zinc/39/22/48/1351392248.db2.gz YFBDSIWVYCQRJS-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccccc1OC(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606983449 1351392250 /nfs/dbraw/zinc/39/22/50/1351392250.db2.gz YFBDSIWVYCQRJS-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N(C1CC1)C1CCCC1 ZINC001607015816 1351397399 /nfs/dbraw/zinc/39/73/99/1351397399.db2.gz TWDJITBHKDSNQM-UHFFFAOYSA-N -1 1 332.795 2.462 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(c2ccsc2)CC1 ZINC001607022579 1351399716 /nfs/dbraw/zinc/39/97/16/1351399716.db2.gz VRNWXKPPNNLHSR-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(c2ccsc2)CC1 ZINC001607022579 1351399718 /nfs/dbraw/zinc/39/97/18/1351399718.db2.gz VRNWXKPPNNLHSR-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC001607025951 1351400012 /nfs/dbraw/zinc/40/00/12/1351400012.db2.gz QVAAEQRZJZWIDY-HNNXBMFYSA-N -1 1 338.346 2.378 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC001607025951 1351400015 /nfs/dbraw/zinc/40/00/15/1351400015.db2.gz QVAAEQRZJZWIDY-HNNXBMFYSA-N -1 1 338.346 2.378 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001607026491 1351400441 /nfs/dbraw/zinc/40/04/41/1351400441.db2.gz DDNYUKZGVMNARW-LLVKDONJSA-N -1 1 341.396 2.264 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC001607026491 1351400443 /nfs/dbraw/zinc/40/04/43/1351400443.db2.gz DDNYUKZGVMNARW-LLVKDONJSA-N -1 1 341.396 2.264 20 0 EEADMM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccc2cncn2c1 ZINC001607116147 1351424913 /nfs/dbraw/zinc/42/49/13/1351424913.db2.gz VIGZMBYVZPTCPA-UHFFFAOYSA-N -1 1 339.351 2.014 20 0 EEADMM c1ccc2c(c1)cccc2NCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001607132031 1351432842 /nfs/dbraw/zinc/43/28/42/1351432842.db2.gz UFOVNIJERDFYKX-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM c1ccc2c(c1)cccc2NCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001607132031 1351432848 /nfs/dbraw/zinc/43/28/48/1351432848.db2.gz UFOVNIJERDFYKX-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2ncncc2-c2nn[n-]n2)cc1 ZINC001607131018 1351433434 /nfs/dbraw/zinc/43/34/34/1351433434.db2.gz SHUTXYCEESMXPM-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCN2C(C)(C)C)cc1 ZINC001607223290 1351452297 /nfs/dbraw/zinc/45/22/97/1351452297.db2.gz YVAPNBDKLZZYIG-GJZGRUSLSA-N -1 1 334.416 2.200 20 0 EEADMM COc1cccc(-c2csc(CN3C[C@@H](O)C[C@H](C(=O)[O-])C3)n2)c1 ZINC001607303373 1351468989 /nfs/dbraw/zinc/46/89/89/1351468989.db2.gz UMQDMEYTBHWRLB-STQMWFEESA-N -1 1 348.424 2.086 20 0 EEADMM COc1cncc(S(=O)(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001607356475 1351481611 /nfs/dbraw/zinc/48/16/11/1351481611.db2.gz WZMULZBVBPXGSB-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)n1C ZINC001607512420 1351508385 /nfs/dbraw/zinc/50/83/85/1351508385.db2.gz YXELWKSIDWYZSI-MFKMUULPSA-N -1 1 334.338 2.167 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CC2)c1 ZINC001607626130 1351528308 /nfs/dbraw/zinc/52/83/08/1351528308.db2.gz VEYMZFHBQHVCHO-MRXNPFEDSA-N -1 1 344.455 2.342 20 0 EEADMM Cc1cc(NC(=O)N2CCN(C3CCOCC3)CC2)cc(C(=O)[O-])c1 ZINC001607684168 1351539213 /nfs/dbraw/zinc/53/92/13/1351539213.db2.gz JOTZHOKJGBGZLJ-UHFFFAOYSA-N -1 1 347.415 2.022 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N2CCSC[C@H](C(=O)[O-])C2)cc1C ZINC001607797418 1351560808 /nfs/dbraw/zinc/56/08/08/1351560808.db2.gz AZLUPFGJGYISEF-UONOGXRCSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001607938896 1351589823 /nfs/dbraw/zinc/58/98/23/1351589823.db2.gz FTLDDRHTDFOZGV-UHFFFAOYSA-N -1 1 329.360 2.223 20 0 EEADMM Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@H]1CC(=O)[O-] ZINC001608159220 1351637289 /nfs/dbraw/zinc/63/72/89/1351637289.db2.gz JCAXAVGIHAOMSL-NSHDSACASA-N -1 1 338.408 2.206 20 0 EEADMM Cn1ncc(NC(=O)OC(C)(C)C)c1CN1CCC[C@H]1CC(=O)[O-] ZINC001608159220 1351637292 /nfs/dbraw/zinc/63/72/92/1351637292.db2.gz JCAXAVGIHAOMSL-NSHDSACASA-N -1 1 338.408 2.206 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cccc(Br)c1O)CC1CC1 ZINC001608419283 1351690624 /nfs/dbraw/zinc/69/06/24/1351690624.db2.gz KWCGAUOUPUOUEI-VIFPVBQESA-N -1 1 342.189 2.385 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]CCCCOc2ccccc2)c1Cl ZINC000027964397 1352373621 /nfs/dbraw/zinc/37/36/21/1352373621.db2.gz ZDHVGPYMRSPQAS-UHFFFAOYSA-N -1 1 343.836 2.211 20 0 EEADMM CCC(CC)(NC(=O)c1ccnc(-c2ccccc2)n1)c1nn[n-]n1 ZINC001626909031 1352477418 /nfs/dbraw/zinc/47/74/18/1352477418.db2.gz WAHUDWKCPUDAJA-UHFFFAOYSA-N -1 1 337.387 2.102 20 0 EEADMM O=C(OCc1nn[n-]n1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001649226317 1352555240 /nfs/dbraw/zinc/55/52/40/1352555240.db2.gz HOGJWMPALYCRTO-UHFFFAOYSA-N -1 1 342.277 2.164 20 0 EEADMM CSc1ccc([O-])c(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)c1 ZINC001638553970 1352689487 /nfs/dbraw/zinc/68/94/87/1352689487.db2.gz HNMXFOSNBGXMDJ-UHFFFAOYSA-N -1 1 341.396 2.470 20 0 EEADMM Cc1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC001644803127 1352769827 /nfs/dbraw/zinc/76/98/27/1352769827.db2.gz GVCAYFTWGAYEDE-UHFFFAOYSA-N -1 1 325.328 2.030 20 0 EEADMM CC1(n2nnnc2N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCC1 ZINC001646309046 1352827652 /nfs/dbraw/zinc/82/76/52/1352827652.db2.gz SFXHOZKEFCJITC-UHFFFAOYSA-N -1 1 341.415 2.377 20 0 EEADMM CCC(C)(C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001388213581 1387259483 /nfs/dbraw/zinc/25/94/83/1387259483.db2.gz DVBGNSHTUZQXMS-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1c(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)n[nH]c1C(F)(F)F ZINC001650503158 1353957678 /nfs/dbraw/zinc/95/76/78/1353957678.db2.gz OXSUSXDYHLRROJ-CYBMUJFWSA-N -1 1 333.310 2.310 20 0 EEADMM O=C(c1ccc(N2CCCCCC2)cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650582852 1354004250 /nfs/dbraw/zinc/00/42/50/1354004250.db2.gz SJFQCFIWRRSIGN-HNNXBMFYSA-N -1 1 340.431 2.210 20 0 EEADMM C[C@H](NC(=O)C1(C)CCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001388711139 1387664937 /nfs/dbraw/zinc/66/49/37/1387664937.db2.gz VKPKKRQOOPYXTK-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(CCC1CCC1)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389031729 1387904956 /nfs/dbraw/zinc/90/49/56/1387904956.db2.gz GDYJCUQKAJMLJQ-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NCCc1nc(-c2ccccc2)no1)c1cc([O-])cnc1Cl ZINC001195306205 1368516453 /nfs/dbraw/zinc/51/64/53/1368516453.db2.gz OVSLNUODJCCDFS-UHFFFAOYSA-N -1 1 344.758 2.463 20 0 EEADMM COc1cc(NC(=O)c2nc(C)ccc2[O-])ccc1N1CCOCC1 ZINC001195331417 1368520805 /nfs/dbraw/zinc/52/08/05/1368520805.db2.gz XKPOKTRLEYVTRB-UHFFFAOYSA-N -1 1 343.383 2.193 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCOCCF)c([O-])c1 ZINC000856474199 1369415974 /nfs/dbraw/zinc/41/59/74/1369415974.db2.gz XHDAZACFODEZLF-UHFFFAOYSA-N -1 1 342.367 2.455 20 0 EEADMM COc1ccc(-c2nc(C)c(C(=O)[N-]N3CCOC3=O)s2)cc1 ZINC000862696760 1369546249 /nfs/dbraw/zinc/54/62/49/1369546249.db2.gz VGRONSPOSSMUDM-UHFFFAOYSA-N -1 1 333.369 2.224 20 0 EEADMM CCC1(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)CCCC1 ZINC001071952569 1370585635 /nfs/dbraw/zinc/58/56/35/1370585635.db2.gz OAYHIZLRGXDQBG-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000780512878 1371163382 /nfs/dbraw/zinc/16/33/82/1371163382.db2.gz IYJHZUGJQLIECB-UONOGXRCSA-N -1 1 337.420 2.277 20 0 EEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cn1 ZINC000781647262 1371238380 /nfs/dbraw/zinc/23/83/80/1371238380.db2.gz YEYWMUWQMYGRKG-UHFFFAOYSA-N -1 1 349.412 2.110 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC001137689826 1372251586 /nfs/dbraw/zinc/25/15/86/1372251586.db2.gz FNLQTOBNIORTMA-UHFFFAOYSA-N -1 1 339.281 2.056 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000830514336 1372330250 /nfs/dbraw/zinc/33/02/50/1372330250.db2.gz FMGTYWGKOOUYFF-JTQLQIEISA-N -1 1 349.733 2.476 20 0 EEADMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000830779841 1372348810 /nfs/dbraw/zinc/34/88/10/1372348810.db2.gz YNXOSXMHOSHSGA-SNVBAGLBSA-N -1 1 337.850 2.412 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000830897535 1372356818 /nfs/dbraw/zinc/35/68/18/1372356818.db2.gz OJOIZVNISQBKLA-APPZFPTMSA-N -1 1 330.335 2.431 20 0 EEADMM COc1cccc(O[C@@H]2CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC001140499524 1372588235 /nfs/dbraw/zinc/58/82/35/1372588235.db2.gz RWBJAPCRFJTUNB-CYBMUJFWSA-N -1 1 345.399 2.387 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCCc2ccccc21)N(C)C ZINC000835587969 1372636308 /nfs/dbraw/zinc/63/63/08/1372636308.db2.gz DPSGUCDYBZROQR-CVEARBPZSA-N -1 1 338.473 2.096 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)o1 ZINC001140946229 1372722006 /nfs/dbraw/zinc/72/20/06/1372722006.db2.gz WYBQEZGZCKIRHI-QAPCUYQASA-N -1 1 344.367 2.185 20 0 EEADMM O=C([O-])c1ccc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)o1 ZINC001140946229 1372722009 /nfs/dbraw/zinc/72/20/09/1372722009.db2.gz WYBQEZGZCKIRHI-QAPCUYQASA-N -1 1 344.367 2.185 20 0 EEADMM Cn1ccnc1[C@@H](NC(=O)c1ccc([O-])cn1)c1cccc(F)c1 ZINC001141271048 1372781387 /nfs/dbraw/zinc/78/13/87/1372781387.db2.gz MWLIDMFIMATSGU-HNNXBMFYSA-N -1 1 326.331 2.179 20 0 EEADMM O=C(Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1)c1ccccc1[O-] ZINC001362454771 1373414066 /nfs/dbraw/zinc/41/40/66/1373414066.db2.gz WLMVBOGANSHMMQ-HNNXBMFYSA-N -1 1 340.379 2.241 20 0 EEADMM CC[C@H](CN1CCOCC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC001362929057 1373471511 /nfs/dbraw/zinc/47/15/11/1373471511.db2.gz CPIOIOGUCKOCIK-OAHLLOKOSA-N -1 1 328.412 2.386 20 0 EEADMM COc1cncc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC001363262704 1373498390 /nfs/dbraw/zinc/49/83/90/1373498390.db2.gz IRGSOUJYACTDCZ-GWCFXTLKSA-N -1 1 331.338 2.122 20 0 EEADMM COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc([O-])c1F ZINC001363595509 1373536211 /nfs/dbraw/zinc/53/62/11/1373536211.db2.gz CWWSRBSRJYPLMN-CYBMUJFWSA-N -1 1 335.306 2.185 20 0 EEADMM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001363696978 1373542497 /nfs/dbraw/zinc/54/24/97/1373542497.db2.gz XOHTWJMUJAEWJV-UHFFFAOYSA-N -1 1 336.363 2.224 20 0 EEADMM O=C(CCC1CCCC1)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001389787083 1388299632 /nfs/dbraw/zinc/29/96/32/1388299632.db2.gz NXCRJARGVSBWBH-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCCC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001370107113 1374806197 /nfs/dbraw/zinc/80/61/97/1374806197.db2.gz YKGWCEARYGHWIH-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1=CCCCCC1 ZINC001370474452 1374954385 /nfs/dbraw/zinc/95/43/85/1374954385.db2.gz SPXAPJCVXJQOJD-ZDUSSCGKSA-N -1 1 331.416 2.254 20 0 EEADMM CCC(C)(C)CC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001371176938 1375279604 /nfs/dbraw/zinc/27/96/04/1375279604.db2.gz JDKBYBDMPPAFNP-UHFFFAOYSA-N -1 1 333.432 2.333 20 0 EEADMM CCN(C(=O)CCC1CCC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001371339707 1375392382 /nfs/dbraw/zinc/39/23/82/1375392382.db2.gz CKHLFVDRDLJPCD-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)ccc1F ZINC001390380401 1388615370 /nfs/dbraw/zinc/61/53/70/1388615370.db2.gz LCMBLHIQZUEYQJ-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@@]1(CNC(=O)CCCC2CC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379839625 1380911442 /nfs/dbraw/zinc/91/14/42/1380911442.db2.gz HBIOZPUIUZYIBX-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001382852500 1382242727 /nfs/dbraw/zinc/24/27/27/1382242727.db2.gz WZIABJZYYRLFMP-ZDUSSCGKSA-N -1 1 335.448 2.294 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001382863086 1382253792 /nfs/dbraw/zinc/25/37/92/1382253792.db2.gz JMWIBVNLZCERFB-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(CC)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001383237496 1382409069 /nfs/dbraw/zinc/40/90/69/1382409069.db2.gz YSBJPPYAQQAKHU-CQSZACIVSA-N -1 1 335.448 2.484 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001384151357 1382824839 /nfs/dbraw/zinc/82/48/39/1382824839.db2.gz WTFVFGSQQAUDLM-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384535303 1384542688 /nfs/dbraw/zinc/54/26/88/1384542688.db2.gz NTEIDEAYDUREEP-QWRGUYRKSA-N -1 1 348.447 2.119 20 0 EEADMM C[C@@H](C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC001385434508 1385565660 /nfs/dbraw/zinc/56/56/60/1385565660.db2.gz FACDFYNKNXRKMU-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM CCC[C@@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001385897460 1385895516 /nfs/dbraw/zinc/89/55/16/1385895516.db2.gz XRXCXRHOMCWTQI-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)CCC1 ZINC001391583430 1389453456 /nfs/dbraw/zinc/45/34/56/1389453456.db2.gz NLPSERRPZBHHHC-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001394873684 1390763132 /nfs/dbraw/zinc/76/31/32/1390763132.db2.gz HMWBDBKMGJUWLA-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001396148378 1390912516 /nfs/dbraw/zinc/91/25/16/1390912516.db2.gz QGFSLVPHSOKROA-TZMCWYRMSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(CCNC(=O)[C@@H](C)c1ccsc1)C(=O)c1ncccc1[O-] ZINC001398155492 1391755153 /nfs/dbraw/zinc/75/51/53/1391755153.db2.gz QWIRISSGOARPGI-LBPRGKRZSA-N -1 1 347.440 2.231 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC/C(Cl)=C\Cl)c1[O-] ZINC001398761597 1394178226 /nfs/dbraw/zinc/17/82/26/1394178226.db2.gz VHWLESDKSDEWBZ-RUYJGKKWSA-N -1 1 347.246 2.327 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H]1CCCC1(C)C ZINC001424121890 1400919749 /nfs/dbraw/zinc/91/97/49/1400919749.db2.gz IEOIJFLMUJHCEI-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425709763 1401751675 /nfs/dbraw/zinc/75/16/75/1401751675.db2.gz IMDIEHALGGRXLV-ZIAGYGMSSA-N -1 1 347.459 2.484 20 0 EEADMM CCC(C)(CC)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001426769042 1402183755 /nfs/dbraw/zinc/18/37/55/1402183755.db2.gz LDPFVGZNVGOLMU-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](NC(=O)C1(C)CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001427070385 1402313862 /nfs/dbraw/zinc/31/38/62/1402313862.db2.gz ZKPDHPWZQWOIGJ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)c1ccco1 ZINC001429013990 1402874889 /nfs/dbraw/zinc/87/48/89/1402874889.db2.gz PBYXLLOSQFGKEP-CHWSQXEVSA-N -1 1 345.399 2.199 20 0 EEADMM CC(C)[C@H](C)C(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001431934901 1403161795 /nfs/dbraw/zinc/16/17/95/1403161795.db2.gz SGNBQLIWJMPJOA-UONOGXRCSA-N -1 1 347.459 2.436 20 0 EEADMM CC(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001574414224 1403520757 /nfs/dbraw/zinc/52/07/57/1403520757.db2.gz SKWYHMYPSRPYDT-UHFFFAOYSA-N -1 1 328.401 2.377 20 0 EEADMM CCC(=CC(=O)NC[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1)CC ZINC001576406183 1403573221 /nfs/dbraw/zinc/57/32/21/1403573221.db2.gz PQFOOFKILXZHRL-SECBINFHSA-N -1 1 349.464 2.295 20 0 EEADMM CCC1(CC)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577110394 1403624150 /nfs/dbraw/zinc/62/41/50/1403624150.db2.gz MYSIOGRRQGHCPP-UHFFFAOYSA-N -1 1 330.392 2.071 20 0 EEADMM CCc1cnc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)s1 ZINC001578556185 1403769490 /nfs/dbraw/zinc/76/94/90/1403769490.db2.gz QRQVMDZKNOMFKS-UHFFFAOYSA-N -1 1 336.327 2.416 20 0 EEADMM CCc1cnc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)s1 ZINC001578556185 1403769499 /nfs/dbraw/zinc/76/94/99/1403769499.db2.gz QRQVMDZKNOMFKS-UHFFFAOYSA-N -1 1 336.327 2.416 20 0 EEADMM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC001579984856 1403803405 /nfs/dbraw/zinc/80/34/05/1403803405.db2.gz RKXYDOMDRRRRBF-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ncc(NC(=O)c2sc(C)cc2C)cc1-c1nn[n-]n1 ZINC001580139624 1403834421 /nfs/dbraw/zinc/83/44/21/1403834421.db2.gz HLAGFQMDPNYFFI-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM CSCc1cccnc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001580225660 1403849738 /nfs/dbraw/zinc/84/97/38/1403849738.db2.gz LHPHFSVVZSTDMW-UHFFFAOYSA-N -1 1 347.429 2.142 20 0 EEADMM CSCc1cccnc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001580225660 1403849749 /nfs/dbraw/zinc/84/97/49/1403849749.db2.gz LHPHFSVVZSTDMW-UHFFFAOYSA-N -1 1 347.429 2.142 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)cc1 ZINC001581207412 1403878063 /nfs/dbraw/zinc/87/80/63/1403878063.db2.gz UGKWIRYGCHHHPK-UHFFFAOYSA-N -1 1 349.441 2.203 20 0 EEADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502071 1403882191 /nfs/dbraw/zinc/88/21/91/1403882191.db2.gz JGKCONZEPPKGEE-CMPLNLGQSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502071 1403882200 /nfs/dbraw/zinc/88/22/00/1403882200.db2.gz JGKCONZEPPKGEE-CMPLNLGQSA-N -1 1 342.407 2.363 20 0 EEADMM CO[C@H](CNc1snc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC001591333653 1403906295 /nfs/dbraw/zinc/90/62/95/1403906295.db2.gz DSOAUZKSNSZTDL-LBPRGKRZSA-N -1 1 330.417 2.301 20 0 EEADMM COCCN(C(=O)c1cc(-c2nnn[n-]2)oc1C)[C@H]1CC[C@H](C)C1 ZINC001591419981 1403911483 /nfs/dbraw/zinc/91/14/83/1403911483.db2.gz DDZODFCBPHQJRQ-JQWIXIFHSA-N -1 1 333.392 2.045 20 0 EEADMM COCCN(C(=O)c1cc(-c2nn[n-]n2)oc1C)[C@H]1CC[C@H](C)C1 ZINC001591419981 1403911488 /nfs/dbraw/zinc/91/14/88/1403911488.db2.gz DDZODFCBPHQJRQ-JQWIXIFHSA-N -1 1 333.392 2.045 20 0 EEADMM COc1cccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)c1C ZINC001591640189 1403932631 /nfs/dbraw/zinc/93/26/31/1403932631.db2.gz PGSXHRVRFOMPKR-UHFFFAOYSA-N -1 1 347.382 2.491 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591683802 1403938960 /nfs/dbraw/zinc/93/89/60/1403938960.db2.gz ZVLUCEJDSSNGDV-PCVAMMEBSA-N -1 1 340.840 2.017 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591683802 1403938963 /nfs/dbraw/zinc/93/89/63/1403938963.db2.gz ZVLUCEJDSSNGDV-PCVAMMEBSA-N -1 1 340.840 2.017 20 0 EEADMM CSCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001591698635 1403941897 /nfs/dbraw/zinc/94/18/97/1403941897.db2.gz DAZXNEXSRCUMIP-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001591698635 1403941900 /nfs/dbraw/zinc/94/19/00/1403941900.db2.gz DAZXNEXSRCUMIP-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591890846 1403969368 /nfs/dbraw/zinc/96/93/68/1403969368.db2.gz GSYDGAJAWGPPGZ-JTQLQIEISA-N -1 1 341.423 2.398 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591890846 1403969372 /nfs/dbraw/zinc/96/93/72/1403969372.db2.gz GSYDGAJAWGPPGZ-JTQLQIEISA-N -1 1 341.423 2.398 20 0 EEADMM Cc1cc(Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)cs1 ZINC001591977604 1403977811 /nfs/dbraw/zinc/97/78/11/1403977811.db2.gz RNOVANRPPAJUFZ-UHFFFAOYSA-N -1 1 341.318 2.465 20 0 EEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592134906 1404002730 /nfs/dbraw/zinc/00/27/30/1404002730.db2.gz AUJKAIMUVQRWSV-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592134906 1404002738 /nfs/dbraw/zinc/00/27/38/1404002738.db2.gz AUJKAIMUVQRWSV-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593041742 1404738185 /nfs/dbraw/zinc/73/81/85/1404738185.db2.gz JBDCDKQPACBWRP-LLVKDONJSA-N -1 1 345.378 2.085 20 0 EEADMM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593041742 1404738189 /nfs/dbraw/zinc/73/81/89/1404738189.db2.gz JBDCDKQPACBWRP-LLVKDONJSA-N -1 1 345.378 2.085 20 0 EEADMM O=C(NCCOc1ccccc1Cl)c1ccsc1-c1nnn[n-]1 ZINC001593100140 1404742195 /nfs/dbraw/zinc/74/21/95/1404742195.db2.gz SHTZFDDRDWSJDU-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM O=C(NCCOc1ccccc1Cl)c1ccsc1-c1nn[n-]n1 ZINC001593100140 1404742199 /nfs/dbraw/zinc/74/21/99/1404742199.db2.gz SHTZFDDRDWSJDU-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2c(F)cccc2Cl)n1 ZINC001606019729 1404756631 /nfs/dbraw/zinc/75/66/31/1404756631.db2.gz KJDXAWKVGRACRS-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2c(F)cccc2Cl)n1 ZINC001606019729 1404756637 /nfs/dbraw/zinc/75/66/37/1404756637.db2.gz KJDXAWKVGRACRS-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM Cc1nsc(NC(=O)N2CC3(CCC3)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001606149552 1404769326 /nfs/dbraw/zinc/76/93/26/1404769326.db2.gz VFVGXNNUFRWKIH-QMMMGPOBSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CC3(CCC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001606149552 1404769329 /nfs/dbraw/zinc/76/93/29/1404769329.db2.gz VFVGXNNUFRWKIH-QMMMGPOBSA-N -1 1 333.421 2.428 20 0 EEADMM CN(Cc1cccc(C(=O)[O-])n1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001606166030 1404770962 /nfs/dbraw/zinc/77/09/62/1404770962.db2.gz NOIFAKSDBZNHSG-NHAGDIPZSA-N -1 1 347.415 2.077 20 0 EEADMM Fc1ccc(F)c2c1CC[C@@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001606319441 1404791259 /nfs/dbraw/zinc/79/12/59/1404791259.db2.gz DCEKDYFOEZYVER-JTQLQIEISA-N -1 1 334.355 2.379 20 0 EEADMM Fc1ccc(F)c2c1CC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001606319441 1404791266 /nfs/dbraw/zinc/79/12/66/1404791266.db2.gz DCEKDYFOEZYVER-JTQLQIEISA-N -1 1 334.355 2.379 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000164048909 1405704915 /nfs/dbraw/zinc/70/49/15/1405704915.db2.gz HRNAGFLHCMSBGM-UHFFFAOYSA-N -1 1 346.333 2.155 20 0 EEADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000165018579 1405712848 /nfs/dbraw/zinc/71/28/48/1405712848.db2.gz FJRJHXQKQXUATJ-UHFFFAOYSA-N -1 1 335.335 2.278 20 0 EEADMM Cc1cocc1C(=O)NCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001756296527 1408298848 /nfs/dbraw/zinc/29/88/48/1408298848.db2.gz RVVQDRXOQHJXTR-LBPRGKRZSA-N -1 1 331.372 2.017 20 0 EEADMM COc1ccc(CNC[C@H](F)C(=O)[O-])cc1OCc1cccnc1 ZINC001771909555 1409977163 /nfs/dbraw/zinc/97/71/63/1409977163.db2.gz LLKJDOUGRFYXQH-AWEZNQCLSA-N -1 1 334.347 2.182 20 0 EEADMM Cc1cc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)no1 ZINC000864331040 1410460202 /nfs/dbraw/zinc/46/02/02/1410460202.db2.gz ZWCCCOQTERCKJL-CYBMUJFWSA-N -1 1 329.404 2.068 20 0 EEADMM O=C(c1ncc2ccccc2c1[O-])N1CCNC(=O)[C@H]1c1ccccc1 ZINC001143383323 759411747 /nfs/dbraw/zinc/41/17/47/759411747.db2.gz DCQDWCCUVGQHOV-QGZVFWFLSA-N -1 1 347.374 2.254 20 0 EEADMM CC(C)C[C@H](CNc1cncc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001104935746 765607073 /nfs/dbraw/zinc/60/70/73/765607073.db2.gz WEZFURNPEJFUCO-LLVKDONJSA-N -1 1 349.822 2.487 20 0 EEADMM Cc1nc(C)c(C)c(N(C)CCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001112081219 769110381 /nfs/dbraw/zinc/11/03/81/769110381.db2.gz KFXKHVABUPGDDF-UHFFFAOYSA-N -1 1 343.431 2.101 20 0 EEADMM O=C(N[C@H]1C[C@H](CNC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000979560139 770524866 /nfs/dbraw/zinc/52/48/66/770524866.db2.gz KOQPZBMXXKPELM-CTYIDZIISA-N -1 1 345.443 2.382 20 0 EEADMM CCN(C(=O)c1ccsc1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942653912 782948017 /nfs/dbraw/zinc/94/80/17/782948017.db2.gz HUSOBLWHFAIEDU-ZDUSSCGKSA-N -1 1 345.424 2.226 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2occc2C)C1 ZINC000942754552 783118530 /nfs/dbraw/zinc/11/85/30/783118530.db2.gz CEWWWPRYQNFRTC-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM O=C(NC1CCC(NC(=O)[C@H]2CC23CCC3)CC1)c1ncccc1[O-] ZINC000980146745 773947225 /nfs/dbraw/zinc/94/72/25/773947225.db2.gz OUNFYLNMSTXEII-JXQTWKCFSA-N -1 1 343.427 2.135 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000938956832 775052332 /nfs/dbraw/zinc/05/23/32/775052332.db2.gz BAFJBBKSNRTMIG-AWEZNQCLSA-N -1 1 339.395 2.049 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939283714 776176055 /nfs/dbraw/zinc/17/60/55/776176055.db2.gz NTRMUBRNQVBQRZ-TZMCWYRMSA-N -1 1 349.479 2.053 20 0 EEADMM COc1cccc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000981026349 776400911 /nfs/dbraw/zinc/40/09/11/776400911.db2.gz BJULNCLVIGUSNM-UHFFFAOYSA-N -1 1 341.411 2.144 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000939460873 776575069 /nfs/dbraw/zinc/57/50/69/776575069.db2.gz QWRQRKZKVJKXEH-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(C[C@H]1C=CCC1)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981207172 776788610 /nfs/dbraw/zinc/78/86/10/776788610.db2.gz GCHHPVBSMNADOK-SOUVJXGZSA-N -1 1 343.427 2.158 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000939804196 777411219 /nfs/dbraw/zinc/41/12/19/777411219.db2.gz UPNYVFWRFHHYIP-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C)C1CCCC1 ZINC000940488872 778735620 /nfs/dbraw/zinc/73/56/20/778735620.db2.gz YVKWATMVZJLPMS-VNHYZAJKSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1coc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC000946272880 790674479 /nfs/dbraw/zinc/67/44/79/790674479.db2.gz FVWUTSNMJPFOIH-OLZOCXBDSA-N -1 1 343.383 2.017 20 0 EEADMM CC1(C)CN(Cc2nccs2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000940703750 779148935 /nfs/dbraw/zinc/14/89/35/779148935.db2.gz UOBCQTNVXARQLP-CYBMUJFWSA-N -1 1 346.456 2.274 20 0 EEADMM CC1(C)CN(Cc2ccns2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000940703844 779150017 /nfs/dbraw/zinc/15/00/17/779150017.db2.gz WJCFFMRAZYSSAP-CQSZACIVSA-N -1 1 346.456 2.274 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCN2CC[C@@H]2CCCC2(F)F)c1[O-] ZINC001038164282 779745690 /nfs/dbraw/zinc/74/56/90/779745690.db2.gz IEAFCCUCYMVFAW-NWDGAFQWSA-N -1 1 342.390 2.053 20 0 EEADMM COCc1nc(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(=O)[n-]1 ZINC000893830390 780207117 /nfs/dbraw/zinc/20/71/17/780207117.db2.gz SKSFHTGBJNGZLD-OAGGEKHMSA-N -1 1 341.411 2.338 20 0 EEADMM C[C@H]1CCN(c2nccc3nc[nH]c32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000893865241 780254249 /nfs/dbraw/zinc/25/42/49/780254249.db2.gz CERBBNOHHVYUMY-QXEWZRGKSA-N -1 1 341.337 2.240 20 0 EEADMM C[C@H](C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001088336534 783553342 /nfs/dbraw/zinc/55/33/42/783553342.db2.gz GWDHFORVCKDJDQ-OLZOCXBDSA-N -1 1 337.468 2.053 20 0 EEADMM CCn1c(CNC(=O)c2cnc(SC)[n-]c2=O)nc2ccccc21 ZINC001135632861 784130426 /nfs/dbraw/zinc/13/04/26/784130426.db2.gz CBUHGLFOQLYPJJ-UHFFFAOYSA-N -1 1 343.412 2.204 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N(CC2CC2)C2CCC2)c1 ZINC000906964442 784277080 /nfs/dbraw/zinc/27/70/80/784277080.db2.gz VSZCRCZVJOYYLW-UHFFFAOYSA-N -1 1 325.386 2.044 20 0 EEADMM O=C(CCc1cccc(Cl)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474282 784643364 /nfs/dbraw/zinc/64/33/64/784643364.db2.gz GCOIRQNMJLYWNV-LBPRGKRZSA-N -1 1 337.836 2.102 20 0 EEADMM O=C(c1cc2cc(F)ccc2s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475423 784644859 /nfs/dbraw/zinc/64/48/59/784644859.db2.gz JWXPSVJQUNSJQW-SNVBAGLBSA-N -1 1 349.416 2.484 20 0 EEADMM C[C@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000907479330 784685238 /nfs/dbraw/zinc/68/52/38/784685238.db2.gz CNILOYXTDIABAW-CABZTGNLSA-N -1 1 337.836 2.273 20 0 EEADMM C[NH+](C)Cc1ccccc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000817390015 784773202 /nfs/dbraw/zinc/77/32/02/784773202.db2.gz CPOULWMZKFUQIJ-UHFFFAOYSA-N -1 1 332.425 2.484 20 0 EEADMM COc1ccc(C)cc1N1C[C@@H](C(=O)[N-]OCCC2CC2)CC1=O ZINC000817425942 784780851 /nfs/dbraw/zinc/78/08/51/784780851.db2.gz PWHFOLKCXCGWSQ-AWEZNQCLSA-N -1 1 332.400 2.204 20 0 EEADMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NOCCC2CC2)c1 ZINC000817446125 784787626 /nfs/dbraw/zinc/78/76/26/784787626.db2.gz HJJNGSZZWPHDDV-UHFFFAOYSA-N -1 1 345.355 2.402 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907970424 784998813 /nfs/dbraw/zinc/99/88/13/784998813.db2.gz XKPJXVVRRIPLNW-OYNZBZHQSA-N -1 1 345.443 2.461 20 0 EEADMM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1n[nH]c3c1CCCC3)CC2 ZINC000908061793 785040093 /nfs/dbraw/zinc/04/00/93/785040093.db2.gz IVBTXHFHJFGJCU-UHFFFAOYSA-N -1 1 325.368 2.119 20 0 EEADMM O=C(CC1CCC1)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000945929741 785140085 /nfs/dbraw/zinc/14/00/85/785140085.db2.gz MPUPROIQFROWPP-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(OC)CCCCCC2)o1 ZINC000908355400 785347145 /nfs/dbraw/zinc/34/71/45/785347145.db2.gz APYCJJYAIXJASP-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C2CCC(N3CCOCC3)CC2)cc1 ZINC000908673456 785639963 /nfs/dbraw/zinc/63/99/63/785639963.db2.gz NKJJAWLRYODJIB-UHFFFAOYSA-N -1 1 332.400 2.214 20 0 EEADMM CN1CCCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1=O ZINC000908711009 785663845 /nfs/dbraw/zinc/66/38/45/785663845.db2.gz NYGIJJNLBLGUHJ-SECBINFHSA-N -1 1 341.205 2.352 20 0 EEADMM CC(=O)N1CC[C@](C)(C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908712691 785664460 /nfs/dbraw/zinc/66/44/60/785664460.db2.gz JBSOHUOBQOFNLY-AWEZNQCLSA-N -1 1 341.205 2.352 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819817381 785678235 /nfs/dbraw/zinc/67/82/35/785678235.db2.gz CUEFGRDDKIDDAL-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819817381 785678244 /nfs/dbraw/zinc/67/82/44/785678244.db2.gz CUEFGRDDKIDDAL-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM O=C([O-])CN(C(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CCC1 ZINC000908743822 785682847 /nfs/dbraw/zinc/68/28/47/785682847.db2.gz PBRVBPRJHXYZEZ-OAHLLOKOSA-N -1 1 349.431 2.455 20 0 EEADMM CC[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccs1)N(C)C)C1CC1 ZINC000908745342 785684726 /nfs/dbraw/zinc/68/47/26/785684726.db2.gz ARXCBDUMCDUOAO-CHWSQXEVSA-N -1 1 339.461 2.388 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CC1 ZINC000908746381 785686017 /nfs/dbraw/zinc/68/60/17/785686017.db2.gz ATAUTLIQRSQTSZ-OCCSQVGLSA-N -1 1 335.404 2.064 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000908747753 785687173 /nfs/dbraw/zinc/68/71/73/785687173.db2.gz WSYYIAOVSQLJNC-DFPOMNKCSA-N -1 1 325.434 2.069 20 0 EEADMM CCC(CC)(NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908751305 785698363 /nfs/dbraw/zinc/69/83/63/785698363.db2.gz GUVRQBMALBUQDG-CQSZACIVSA-N -1 1 339.411 2.371 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000908768419 785712143 /nfs/dbraw/zinc/71/21/43/785712143.db2.gz JHOCHHVIKQOLOH-CQSZACIVSA-N -1 1 342.399 2.289 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)N1CCC(c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000908768419 785712148 /nfs/dbraw/zinc/71/21/48/785712148.db2.gz JHOCHHVIKQOLOH-CQSZACIVSA-N -1 1 342.399 2.289 20 0 EEADMM CC[C@@H](C)C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908809795 785741719 /nfs/dbraw/zinc/74/17/19/785741719.db2.gz ZMEBUOQLSSVFIB-RHSMWYFYSA-N -1 1 347.459 2.233 20 0 EEADMM CC[C@@H](C)C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908809795 785741731 /nfs/dbraw/zinc/74/17/31/785741731.db2.gz ZMEBUOQLSSVFIB-RHSMWYFYSA-N -1 1 347.459 2.233 20 0 EEADMM CC[C@@H](C(=O)[O-])N(C(=O)NC[C@H](c1ccsc1)N(C)C)C1CC1 ZINC000908814698 785749242 /nfs/dbraw/zinc/74/92/42/785749242.db2.gz RPTKPQRQDFZXAP-UONOGXRCSA-N -1 1 339.461 2.388 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000820096314 785789172 /nfs/dbraw/zinc/78/91/72/785789172.db2.gz CQLUFCTWVPCXON-WLVPTWKASA-N -1 1 338.425 2.160 20 0 EEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000908895242 785809564 /nfs/dbraw/zinc/80/95/64/785809564.db2.gz BBYQQOZDLOVQIQ-LLVKDONJSA-N -1 1 339.273 2.080 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N(CC(=O)[O-])C(C)C)c1ccco1 ZINC000908875907 785814750 /nfs/dbraw/zinc/81/47/50/785814750.db2.gz MECPSMICKZPCJJ-ZDUSSCGKSA-N -1 1 325.409 2.167 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000909071871 785960719 /nfs/dbraw/zinc/96/07/19/785960719.db2.gz YDOXEWDHCXTLLT-SGTLLEGYSA-N -1 1 341.411 2.409 20 0 EEADMM Cc1ccccc1C1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCC1 ZINC000909874133 786307219 /nfs/dbraw/zinc/30/72/19/786307219.db2.gz FMUQHFCVLWPHDT-OAHLLOKOSA-N -1 1 330.428 2.287 20 0 EEADMM CCOC(=O)C[C@@H](O)COC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909861237 786317402 /nfs/dbraw/zinc/31/74/02/786317402.db2.gz WXMWIZIGYSFUJP-MRVPVSSYSA-N -1 1 337.155 2.170 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H](C(=O)[O-])C3)C2)c1 ZINC000910015171 786405432 /nfs/dbraw/zinc/40/54/32/786405432.db2.gz WNKTZJUBKOWRCJ-SJORKVTESA-N -1 1 330.428 2.108 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000910153563 786485901 /nfs/dbraw/zinc/48/59/01/786485901.db2.gz BTJOGNABRJOFNY-XPTSAGLGSA-N -1 1 345.321 2.454 20 0 EEADMM COc1ccc2c(c1)N(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)CCCC2 ZINC000910253064 786582114 /nfs/dbraw/zinc/58/21/14/786582114.db2.gz LNAPSOVETBFVTJ-OAHLLOKOSA-N -1 1 346.427 2.161 20 0 EEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000821118967 786606070 /nfs/dbraw/zinc/60/60/70/786606070.db2.gz JCRYGNIXSOSCQA-AWEZNQCLSA-N -1 1 345.417 2.177 20 0 EEADMM Cc1nc(N(C)C2CCN(CCC(F)(F)F)CC2)ncc1C(=O)[O-] ZINC000910373830 786703376 /nfs/dbraw/zinc/70/33/76/786703376.db2.gz KCSAPRCRHOFHTA-UHFFFAOYSA-N -1 1 346.353 2.336 20 0 EEADMM CCC[N@@H+](C)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910354146 786711013 /nfs/dbraw/zinc/71/10/13/786711013.db2.gz LJPYFEGLNSJEJH-UHFFFAOYSA-N -1 1 339.461 2.198 20 0 EEADMM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000910424167 786755447 /nfs/dbraw/zinc/75/54/47/786755447.db2.gz HUSFCGMDKJKAJI-VIFPVBQESA-N -1 1 327.312 2.073 20 0 EEADMM O=C([O-])CC1CC(NC(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000910810521 787044884 /nfs/dbraw/zinc/04/48/84/787044884.db2.gz YAKWNIFSDTYSSP-OFLPRAFFSA-N -1 1 330.428 2.411 20 0 EEADMM CCOC(=O)N1CSC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000822542396 787258245 /nfs/dbraw/zinc/25/82/45/787258245.db2.gz AFDZEZHWGSKXJJ-JTQLQIEISA-N -1 1 332.328 2.140 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C23CC(C(=O)[O-])(C2)C3)C[N@H+]1Cc1ccccc1 ZINC000911478462 787497706 /nfs/dbraw/zinc/49/77/06/787497706.db2.gz QDZWFMSOYMQFNS-YYQHOWSJSA-N -1 1 328.412 2.021 20 0 EEADMM CC/C(C)=C/C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062193006 787572290 /nfs/dbraw/zinc/57/22/90/787572290.db2.gz LRBNSAGKKKYWBT-YPDDLIOESA-N -1 1 331.416 2.254 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)c2cc(C(=O)[O-])cnc2C)CC1 ZINC000911591893 787577813 /nfs/dbraw/zinc/57/78/13/787577813.db2.gz WXXGDSIWIAPSFN-UHFFFAOYSA-N -1 1 328.372 2.140 20 0 EEADMM O=C1OC(c2cccc(F)c2)=NC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823547313 787814257 /nfs/dbraw/zinc/81/42/57/787814257.db2.gz IPDBGGZVGQEKGY-XFFZJAGNSA-N -1 1 341.327 2.412 20 0 EEADMM C[C@H](CNc1ccnc(C(C)(C)C)n1)NC(=O)c1ncccc1[O-] ZINC001107689970 788069724 /nfs/dbraw/zinc/06/97/24/788069724.db2.gz DPULBXQKIZGYLQ-LLVKDONJSA-N -1 1 329.404 2.105 20 0 EEADMM CSCC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nn[n-]n1 ZINC000912859655 788416558 /nfs/dbraw/zinc/41/65/58/788416558.db2.gz BSDKMNANFZGPIB-NSHDSACASA-N -1 1 343.815 2.145 20 0 EEADMM Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])cs1 ZINC001032369205 788530927 /nfs/dbraw/zinc/53/09/27/788530927.db2.gz XGCGBZSFQUITNC-KBPBESRZSA-N -1 1 329.425 2.256 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)on1 ZINC000825467423 788644334 /nfs/dbraw/zinc/64/43/34/788644334.db2.gz VBDZYDJUZZHZJS-NSHDSACASA-N -1 1 329.385 2.292 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC)c2ccccn2)o1 ZINC000921516484 788782031 /nfs/dbraw/zinc/78/20/31/788782031.db2.gz BAAJPFXPJMMVRK-NSHDSACASA-N -1 1 338.385 2.281 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C2=CCCCCC2)C1 ZINC001005949615 788983679 /nfs/dbraw/zinc/98/36/79/788983679.db2.gz HOENFYIGIIWYQW-ZDUSSCGKSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C(C)(C)C2CCC2)C1 ZINC001005961097 789024516 /nfs/dbraw/zinc/02/45/16/789024516.db2.gz YGRVLZKDXPGKCV-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(CC1CCSCC1)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000156384590 789088394 /nfs/dbraw/zinc/08/83/94/789088394.db2.gz MPTCYDSGRINRLL-UHFFFAOYSA-N -1 1 328.821 2.340 20 0 EEADMM CC(C)C[C@@](C)(CNC(=O)CN(C)CCc1ccccc1)C(=O)[O-] ZINC000923190299 789091362 /nfs/dbraw/zinc/09/13/62/789091362.db2.gz NDOWTLNWRSLKKO-IBGZPJMESA-N -1 1 334.460 2.414 20 0 EEADMM O=C(CC1=CCCCC1)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062708063 789114887 /nfs/dbraw/zinc/11/48/87/789114887.db2.gz BZVKPVPFJQWROP-UHFFFAOYSA-N -1 1 343.427 2.446 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OC[C@@H]3CCC(=O)N3)n2)c1 ZINC000845159262 789639993 /nfs/dbraw/zinc/63/99/93/789639993.db2.gz AUXYEAIHXQGGKN-ZDUSSCGKSA-N -1 1 343.383 2.137 20 0 EEADMM CCO[N-]C(=O)CNCc1c(C)nn(Cc2ccccc2)c1Cl ZINC000846091310 790047058 /nfs/dbraw/zinc/04/70/58/790047058.db2.gz PXCZWQLVTLLQFC-UHFFFAOYSA-N -1 1 336.823 2.051 20 0 EEADMM Cn1cc([C@@H](NC(=O)c2c([O-])cccc2Cl)C2(CO)CCC2)cn1 ZINC000846202285 790089504 /nfs/dbraw/zinc/08/95/04/790089504.db2.gz FCNJPLDHMDFYLZ-OAHLLOKOSA-N -1 1 349.818 2.413 20 0 EEADMM Cc1nc(Cl)cc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060856836 790117669 /nfs/dbraw/zinc/11/76/69/790117669.db2.gz SNRHSSOPBMBUSE-LLVKDONJSA-N -1 1 347.806 2.113 20 0 EEADMM CCCC[C@H](CC)C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000061357753 791253813 /nfs/dbraw/zinc/25/38/13/791253813.db2.gz XAYLDZWHSNKZSK-NSHDSACASA-N -1 1 326.418 2.269 20 0 EEADMM CCCn1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)CC)cn1 ZINC000174293662 792062691 /nfs/dbraw/zinc/06/26/91/792062691.db2.gz SIDYANZDUYUJKP-UHFFFAOYSA-N -1 1 336.417 2.307 20 0 EEADMM CCOc1cnc(NC(=O)c2ccc(-n3[n-]c(C)cc3=O)cc2)cn1 ZINC001148329648 792341244 /nfs/dbraw/zinc/34/12/44/792341244.db2.gz VDVUSLFNRKAQOX-UHFFFAOYSA-N -1 1 339.355 2.240 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CC34CCOCC4)cc2)[n-]1 ZINC001148336647 792346140 /nfs/dbraw/zinc/34/61/40/792346140.db2.gz QIYPDJWBDANPNN-OAHLLOKOSA-N -1 1 327.384 2.098 20 0 EEADMM CCOC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)OCC)[nH]n2)c1 ZINC001148816532 792724633 /nfs/dbraw/zinc/72/46/33/792724633.db2.gz BKDARXHHXGIBKN-UHFFFAOYSA-N -1 1 346.343 2.407 20 0 EEADMM C[C@H](NC(=O)c1cc([O-])c(Br)c(O)c1)c1cnn(C)c1 ZINC001148997114 792817843 /nfs/dbraw/zinc/81/78/43/792817843.db2.gz USZDHHBREWYIMZ-ZETCQYMHSA-N -1 1 340.177 2.085 20 0 EEADMM O=C(Nc1cnc2n[nH]cc2c1)c1cc([O-])c(Br)c(O)c1 ZINC001148981647 792839533 /nfs/dbraw/zinc/83/95/33/792839533.db2.gz OQRXBOGCNJKGKB-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM Cc1cc(C)nc(N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H](C)C2)n1 ZINC001064764913 793689904 /nfs/dbraw/zinc/68/99/04/793689904.db2.gz DJUNXVFRDGIASO-KBPBESRZSA-N -1 1 341.415 2.299 20 0 EEADMM Cc1ccc(SCCC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742110 794200570 /nfs/dbraw/zinc/20/05/70/794200570.db2.gz HJHLKMBIAIEIME-UHFFFAOYSA-N -1 1 331.445 2.397 20 0 EEADMM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743357 794205824 /nfs/dbraw/zinc/20/58/24/794205824.db2.gz RSGUQVXUOAUIGX-CYBMUJFWSA-N -1 1 343.431 2.497 20 0 EEADMM COc1cccc([C@H](C)CC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913744020 794209133 /nfs/dbraw/zinc/20/91/33/794209133.db2.gz WIAYNQWPAKHRJA-GFCCVEGCSA-N -1 1 329.404 2.108 20 0 EEADMM O=S(=O)(Oc1c(F)cc(F)cc1Br)c1c[n-]cn1 ZINC000784381164 795155519 /nfs/dbraw/zinc/15/55/19/795155519.db2.gz WOZQVKSXEMKCSK-UHFFFAOYSA-N -1 1 339.117 2.218 20 0 EEADMM CCN(C(=O)C[C@H]1CCC[C@@H]1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079910575 795337611 /nfs/dbraw/zinc/33/76/11/795337611.db2.gz SDSKROZNQMNFTO-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)c1occc1Cl ZINC000946536272 795595003 /nfs/dbraw/zinc/59/50/03/795595003.db2.gz WTIRAGPMCIMHFX-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM CCN(C(=O)C(C)(C)C1CCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080159429 795655491 /nfs/dbraw/zinc/65/54/91/795655491.db2.gz ZHQAKJUHYVSHHO-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993248437 796168684 /nfs/dbraw/zinc/16/86/84/796168684.db2.gz MKCDONQWMYOBOU-GOEBONIOSA-N -1 1 340.427 2.274 20 0 EEADMM Cc1ccc2ncnc(NCCCNC(=O)c3ncccc3[O-])c2c1 ZINC001094375490 796183714 /nfs/dbraw/zinc/18/37/14/796183714.db2.gz AGQXAHMIGKOKFX-UHFFFAOYSA-N -1 1 337.383 2.271 20 0 EEADMM CC(C)(C)c1nccc(NCCCNC(=O)c2ncccc2[O-])n1 ZINC001094375926 796184039 /nfs/dbraw/zinc/18/40/39/796184039.db2.gz VTCFGQNPEOGYML-UHFFFAOYSA-N -1 1 329.404 2.107 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2C)c1 ZINC000032629904 797036269 /nfs/dbraw/zinc/03/62/69/797036269.db2.gz SPYAXXXMBSNTSC-UHFFFAOYSA-N -1 1 332.381 2.097 20 0 EEADMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000032629920 797055684 /nfs/dbraw/zinc/05/56/84/797055684.db2.gz YOKVEXUCRMQQOK-UHFFFAOYSA-N -1 1 330.409 2.383 20 0 EEADMM C[C@@H](CCN(C)C(=O)OC(C)(C)C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001172961072 797187360 /nfs/dbraw/zinc/18/73/60/797187360.db2.gz PJUMNTVEPGNFOY-VIFPVBQESA-N -1 1 336.396 2.116 20 0 EEADMM CCC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000780691074 797902487 /nfs/dbraw/zinc/90/24/87/797902487.db2.gz BGNGDMCZHDBZJL-CJNGLKHVSA-N -1 1 348.447 2.160 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cc(OC)cc(OC)c2)no1 ZINC001212766968 797913720 /nfs/dbraw/zinc/91/37/20/797913720.db2.gz IBSNSQZMQOTQLR-UHFFFAOYSA-N -1 1 344.327 2.321 20 0 EEADMM CC(C)OC(=O)c1cccc([N-]S(=O)(=O)c2cc(N)ccc2N)c1 ZINC001174917031 797929667 /nfs/dbraw/zinc/92/96/67/797929667.db2.gz NSZOGLWYYYDAJZ-UHFFFAOYSA-N -1 1 349.412 2.217 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ncccc2[O-])co1 ZINC001002421576 798055257 /nfs/dbraw/zinc/05/52/57/798055257.db2.gz LJJICWKCJQZZQG-CQSZACIVSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CC12CCC2)C(=O)c1ncccc1[O-] ZINC001002502474 798163563 /nfs/dbraw/zinc/16/35/63/798163563.db2.gz JDLGLNNNATYMAR-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM COc1cc(Nc2cncc(C(=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001175842958 798245203 /nfs/dbraw/zinc/24/52/03/798245203.db2.gz GZAXUYJAQIAJPW-UHFFFAOYSA-N -1 1 342.399 2.284 20 0 EEADMM CC(C)(C)c1ccc(Br)c(NC(=O)Cc2nn[n-]n2)c1 ZINC001176845059 798618356 /nfs/dbraw/zinc/61/83/56/798618356.db2.gz OGYBSKHUCXLVOG-UHFFFAOYSA-N -1 1 338.209 2.441 20 0 EEADMM CN(C)c1nc(NC(=O)[C@H](c2ccccn2)C2CC2)c(N=O)c(=O)[n-]1 ZINC001178233159 799363250 /nfs/dbraw/zinc/36/32/50/799363250.db2.gz XNNKRUOZBUUYCG-NSHDSACASA-N -1 1 342.359 2.173 20 0 EEADMM COc1cccc(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1OC ZINC001179961096 800213254 /nfs/dbraw/zinc/21/32/54/800213254.db2.gz JUAHIOUZVRXPQY-UHFFFAOYSA-N -1 1 330.266 2.022 20 0 EEADMM CSc1nc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc(=O)[n-]1 ZINC001180178752 800287827 /nfs/dbraw/zinc/28/78/27/800287827.db2.gz BFJWXOZJKYTXSL-SNVBAGLBSA-N -1 1 331.353 2.144 20 0 EEADMM CSc1nc(C)c(CCC(=O)N(C)C[Si](C)(C)C)c(=O)[n-]1 ZINC000824952187 800303859 /nfs/dbraw/zinc/30/38/59/800303859.db2.gz IKEIBXUGLSBEIY-UHFFFAOYSA-N -1 1 327.526 2.481 20 0 EEADMM CN(C[C@H]1CCN1C/C(Cl)=C\Cl)C(=O)c1ncccc1[O-] ZINC001085562236 800788679 /nfs/dbraw/zinc/78/86/79/800788679.db2.gz HBQGFNOVSWAAKX-PFEDMVJOSA-N -1 1 330.215 2.253 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC001033014455 800791809 /nfs/dbraw/zinc/79/18/09/800791809.db2.gz KYMVIWUUBNFXKF-WFASDCNBSA-N -1 1 346.406 2.470 20 0 EEADMM COC(=O)CC(C)(C)C(=O)Nc1nc(Br)ccc1[O-] ZINC001182608620 801275748 /nfs/dbraw/zinc/27/57/48/801275748.db2.gz JCEBUOLENCOVRL-UHFFFAOYSA-N -1 1 331.166 2.078 20 0 EEADMM O=C(Cc1cnc2ccccn12)Nc1nc(Br)ccc1[O-] ZINC001182834950 801367627 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EEADMM CC1(CCC(=O)NC[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001444539117 1099317543 /nfs/dbraw/zinc/31/75/43/1099317543.db2.gz JNEJIWZMEDOPNG-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)c1cccc(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)c1 ZINC001444924723 1100018240 /nfs/dbraw/zinc/01/82/40/1100018240.db2.gz RNKPIFJVXCUMSW-HNNXBMFYSA-N -1 1 345.447 2.178 20 0 EEADMM C[C@@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)CCCC1CC1 ZINC001495322063 1101027688 /nfs/dbraw/zinc/02/76/88/1101027688.db2.gz SIYHCWZIGRPJDH-FZKQIMNGSA-N -1 1 349.479 2.245 20 0 EEADMM O=C(c1oc(C2CC2)nc1C(F)F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001446585652 1101076928 /nfs/dbraw/zinc/07/69/28/1101076928.db2.gz QGGWFDPXTXWODY-QMMMGPOBSA-N -1 1 338.318 2.023 20 0 EEADMM CC[C@H](C)CC(=O)NCCN(CC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001496724912 1101344937 /nfs/dbraw/zinc/34/49/37/1101344937.db2.gz WNCNTDDXEXFYSA-LBPRGKRZSA-N -1 1 348.447 2.074 20 0 EEADMM CCCN(CCNC(=O)C1CCCCC1)C(=O)c1ncccc1[O-] ZINC001497190877 1102100903 /nfs/dbraw/zinc/10/09/03/1102100903.db2.gz LXLNMYFMULPMJF-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)CCCC1CC1)C(=O)c1ncccc1[O-] ZINC001449450309 1104486654 /nfs/dbraw/zinc/48/66/54/1104486654.db2.gz SEEPUUWFHPMRCC-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(Nc1nc2cc(Br)cnc2[nH]1)c1cncc([O-])c1 ZINC001450081624 1105195681 /nfs/dbraw/zinc/19/56/81/1105195681.db2.gz YUWRWQMTLSNUEI-UHFFFAOYSA-N -1 1 334.133 2.073 20 0 EEADMM CC(=O)Nc1cccnc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001464076488 1110387004 /nfs/dbraw/zinc/38/70/04/1110387004.db2.gz BTFUFVMKWYXRBQ-UHFFFAOYSA-N -1 1 337.339 2.388 20 0 EEADMM CCC(CC)(NC(=O)C1CC(O)(CCC(C)(C)C)C1)c1nn[n-]n1 ZINC001467794051 1110463815 /nfs/dbraw/zinc/46/38/15/1110463815.db2.gz PFBYWYYARILDQS-UHFFFAOYSA-N -1 1 337.468 2.299 20 0 EEADMM O=C(N[C@@H](CO)c1ccccn1)c1cc(Br)ccc1[O-] ZINC001468412360 1110474315 /nfs/dbraw/zinc/47/43/15/1110474315.db2.gz AZLPHRDWZPGFSF-LBPRGKRZSA-N -1 1 337.173 2.013 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC001472571038 1110559187 /nfs/dbraw/zinc/55/91/87/1110559187.db2.gz ZHXDGXFLPWSGHU-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM O=S(=O)([N-]Cc1ccc(CO)cc1)c1ccc(Br)o1 ZINC001475429503 1110612411 /nfs/dbraw/zinc/61/24/11/1110612411.db2.gz ACWAVEQYSUOFRK-UHFFFAOYSA-N -1 1 346.202 2.013 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001505835453 1114223245 /nfs/dbraw/zinc/22/32/45/1114223245.db2.gz VQDXZCKHFQZQEE-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])CCCCC1 ZINC001505864774 1114241698 /nfs/dbraw/zinc/24/16/98/1114241698.db2.gz DHGXJMOHMCJIFU-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cc(C)c(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001508819982 1115649320 /nfs/dbraw/zinc/64/93/20/1115649320.db2.gz BMUFJJWHFAYTNM-NSHDSACASA-N -1 1 347.440 2.356 20 0 EEADMM O=C(c1csc(-c2cccs2)n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001520460870 1119167504 /nfs/dbraw/zinc/16/75/04/1119167504.db2.gz RTACDWRLFRPQLO-QMMMGPOBSA-N -1 1 332.414 2.014 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@H](C)c1nccs1 ZINC001521058190 1119211043 /nfs/dbraw/zinc/21/10/43/1119211043.db2.gz IXRWSJBYJMODSY-VIFPVBQESA-N -1 1 333.421 2.090 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N(C)[C@H](C)c1cccs1 ZINC001524931821 1120244411 /nfs/dbraw/zinc/24/44/11/1120244411.db2.gz CIOIWOISPGKRTI-LLVKDONJSA-N -1 1 346.464 2.297 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N(C)[C@H](C)c1cccs1 ZINC001524931821 1120244422 /nfs/dbraw/zinc/24/44/22/1120244422.db2.gz CIOIWOISPGKRTI-LLVKDONJSA-N -1 1 346.464 2.297 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H]1C1CC1 ZINC001549112211 1121114982 /nfs/dbraw/zinc/11/49/82/1121114982.db2.gz SMEFKYFNRBGDOO-ZIAGYGMSSA-N -1 1 325.368 2.260 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)n[nH]1 ZINC001549134367 1121127221 /nfs/dbraw/zinc/12/72/21/1121127221.db2.gz PTQRXRSIQDIQMI-UPJWGTAASA-N -1 1 334.420 2.483 20 0 EEADMM CCn1nccc1[C@@H]1OCCC[C@@H]1CNC(=O)c1ncc(C)cc1[O-] ZINC001549431401 1121257272 /nfs/dbraw/zinc/25/72/72/1121257272.db2.gz PKQMCDNOOIIPGV-CXAGYDPISA-N -1 1 344.415 2.210 20 0 EEADMM CCn1ccnc1[C@H]1OCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC001549445943 1121266879 /nfs/dbraw/zinc/26/68/79/1121266879.db2.gz XEDMLQLWXVUSRH-NHYWBVRUSA-N -1 1 333.363 2.255 20 0 EEADMM O=C([O-])CN1CC[C@H](N2CCC(c3cccc4[nH]ccc43)CC2)C1=O ZINC001550348824 1121760917 /nfs/dbraw/zinc/76/09/17/1121760917.db2.gz HNFXCRWOGQIAOM-KRWDZBQOSA-N -1 1 341.411 2.033 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ccsc1)NC(=O)c1ncccc1[O-] ZINC001532454425 1122752847 /nfs/dbraw/zinc/75/28/47/1122752847.db2.gz MOBQUFZSDGIHPM-CYBMUJFWSA-N -1 1 347.440 2.423 20 0 EEADMM CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C3CC3)[C@H](C(=O)[O-])C2)cc1 ZINC001550934860 1124184321 /nfs/dbraw/zinc/18/43/21/1124184321.db2.gz CRCISJXFGICWPT-YMRXKLBXSA-N -1 1 344.411 2.259 20 0 EEADMM CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](C3CC3)[C@H](C(=O)[O-])C2)cc1 ZINC001550934860 1124184326 /nfs/dbraw/zinc/18/43/26/1124184326.db2.gz CRCISJXFGICWPT-YMRXKLBXSA-N -1 1 344.411 2.259 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@]12CCC[C@@H]1OCC2 ZINC001551039322 1124236586 /nfs/dbraw/zinc/23/65/86/1124236586.db2.gz PEJOOOYAMPETGF-SGTLLEGYSA-N -1 1 333.432 2.477 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC001548668289 1124424418 /nfs/dbraw/zinc/42/44/18/1124424418.db2.gz CBVQHXIPBBZBIO-SECBINFHSA-N -1 1 337.426 2.055 20 0 EEADMM CC1(C)CCc2sc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)cc2C1 ZINC001548763742 1124487209 /nfs/dbraw/zinc/48/72/09/1124487209.db2.gz KGKYZHZAUMLWTB-JTQLQIEISA-N -1 1 331.445 2.406 20 0 EEADMM O=C(CCCc1nc2ccccc2s1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548765396 1124488668 /nfs/dbraw/zinc/48/86/68/1124488668.db2.gz HWEKFKJFAUTUDL-NSHDSACASA-N -1 1 342.428 2.148 20 0 EEADMM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548768534 1124491046 /nfs/dbraw/zinc/49/10/46/1124491046.db2.gz NADAUZIOBCBPKS-QWHCGFSZSA-N -1 1 343.431 2.281 20 0 EEADMM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)CCO1 ZINC000174007798 231098260 /nfs/dbraw/zinc/09/82/60/231098260.db2.gz KZFXVUKAVZITEU-CYBMUJFWSA-N -1 1 333.413 2.108 20 0 EEADMM CC[C@]1(CO)CCCN(C(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C1 ZINC000187104804 529421994 /nfs/dbraw/zinc/42/19/94/529421994.db2.gz ZWGLLJLMHIOWGX-SFHVURJKSA-N -1 1 335.448 2.001 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000176482935 231660423 /nfs/dbraw/zinc/66/04/23/231660423.db2.gz BEEJGICBJRMSNV-SNVBAGLBSA-N -1 1 327.475 2.014 20 0 EEADMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000049452141 214007718 /nfs/dbraw/zinc/00/77/18/214007718.db2.gz FNFJYZPTWNFFTD-DTWKUNHWSA-N -1 1 343.221 2.188 20 0 EEADMM CCN(CCC(=O)OC)C(=O)c1cc(Br)ccc1[O-] ZINC000102606412 219214269 /nfs/dbraw/zinc/21/42/69/219214269.db2.gz LKLJSBOSFWJJCY-UHFFFAOYSA-N -1 1 330.178 2.180 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1nnc2ccccc2n1 ZINC000352486674 539887407 /nfs/dbraw/zinc/88/74/07/539887407.db2.gz URXXYBVDRQLEAE-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM C[C@@H](CN(C)C(=O)c1csc(-c2ccccc2)n1)c1nn[n-]n1 ZINC000183441055 235078654 /nfs/dbraw/zinc/07/86/54/235078654.db2.gz MXQGSWIGXVHHRS-JTQLQIEISA-N -1 1 328.401 2.199 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1C(N)=O ZINC000106007849 237099692 /nfs/dbraw/zinc/09/96/92/237099692.db2.gz RVYPLUYEVVJVKQ-NSHDSACASA-N -1 1 346.408 2.218 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)c(F)c1 ZINC000131599016 223249329 /nfs/dbraw/zinc/24/93/29/223249329.db2.gz XDNFXYVUQFMYKB-NSHDSACASA-N -1 1 325.365 2.093 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1Cc1ccccc1C ZINC000416166712 239093290 /nfs/dbraw/zinc/09/32/90/239093290.db2.gz NQSAZDZQTSRDRR-CYBMUJFWSA-N -1 1 343.383 2.052 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000416147594 239081354 /nfs/dbraw/zinc/08/13/54/239081354.db2.gz XOFGQZHMHXFVQH-UHFFFAOYSA-N -1 1 335.335 2.086 20 0 EEADMM O=C(NC[C@H](CO)Cc1c(F)cccc1Cl)c1ncccc1[O-] ZINC000427152720 241385098 /nfs/dbraw/zinc/38/50/98/241385098.db2.gz MGIBSVBEKIAHFD-SNVBAGLBSA-N -1 1 338.766 2.161 20 0 EEADMM COc1cccc(CC[N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000451292496 243066949 /nfs/dbraw/zinc/06/69/49/243066949.db2.gz BDNHYKFKFJXPHH-UHFFFAOYSA-N -1 1 332.834 2.326 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)[C@H]1CCCO1 ZINC000451484791 243130693 /nfs/dbraw/zinc/13/06/93/243130693.db2.gz XSPASPOYBLXQBZ-TZMCWYRMSA-N -1 1 343.376 2.044 20 0 EEADMM CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000246561148 243272706 /nfs/dbraw/zinc/27/27/06/243272706.db2.gz UKIQBXUBHHDBHR-HIFRSBDPSA-N -1 1 334.416 2.059 20 0 EEADMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000094039103 284194790 /nfs/dbraw/zinc/19/47/90/284194790.db2.gz NUQIDKBCJBNPRW-HNNXBMFYSA-N -1 1 329.327 2.271 20 0 EEADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)C1CC1 ZINC000264190762 246161734 /nfs/dbraw/zinc/16/17/34/246161734.db2.gz OOJOMUGGTPEJHW-GHMZBOCLSA-N -1 1 328.434 2.227 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2ccc(NC(=O)OC)cc2)n[nH]1 ZINC000495105058 247066891 /nfs/dbraw/zinc/06/68/91/247066891.db2.gz KMDNSWUDVVEHJZ-UHFFFAOYSA-N -1 1 332.316 2.017 20 0 EEADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cnn(C(C)C)c2)o1 ZINC000266161307 248140636 /nfs/dbraw/zinc/14/06/36/248140636.db2.gz HLIYPKPTKFAWLE-CQSZACIVSA-N -1 1 341.433 2.285 20 0 EEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000192751217 284768525 /nfs/dbraw/zinc/76/85/25/284768525.db2.gz DSKHEVHQGGMZML-VIFPVBQESA-N -1 1 325.290 2.338 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCS[C@@H](C)CC2)c(=O)[n-]1 ZINC000191934231 533072443 /nfs/dbraw/zinc/07/24/43/533072443.db2.gz UUJVXAPKMWLDAT-JTQLQIEISA-N -1 1 341.502 2.087 20 0 EEADMM O=C(NCCCc1nc(=O)[n-][nH]1)c1ccccc1Oc1ccccc1 ZINC000174575433 255840964 /nfs/dbraw/zinc/84/09/64/255840964.db2.gz JPHRIOBAWSIHFF-UHFFFAOYSA-N -1 1 338.367 2.253 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(=O)OC ZINC000188092242 255960294 /nfs/dbraw/zinc/96/02/94/255960294.db2.gz BTXKLKJLCIYBCA-ZETCQYMHSA-N -1 1 344.191 2.362 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCSC1 ZINC000267281608 256044700 /nfs/dbraw/zinc/04/47/00/256044700.db2.gz SITZBYWHDFRSMT-CYBMUJFWSA-N -1 1 344.440 2.107 20 0 EEADMM CC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCC1 ZINC000267558410 256068039 /nfs/dbraw/zinc/06/80/39/256068039.db2.gz ZQNYLFZAJIMREX-UHFFFAOYSA-N -1 1 338.429 2.305 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C)c2)o1 ZINC000118969573 221213542 /nfs/dbraw/zinc/21/35/42/221213542.db2.gz NBBSWQHLOJLASK-UHFFFAOYSA-N -1 1 336.413 2.161 20 0 EEADMM NC(=O)NC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000271277525 256228562 /nfs/dbraw/zinc/22/85/62/256228562.db2.gz PTPPUQFDEZQXNP-LBPRGKRZSA-N -1 1 327.384 2.066 20 0 EEADMM COC(=O)Nc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000272887512 256246597 /nfs/dbraw/zinc/24/65/97/256246597.db2.gz ZQOIMQCDBWPKLO-LLVKDONJSA-N -1 1 346.380 2.315 20 0 EEADMM CCOc1cc(C(=O)NCC(C)(C)C(=O)OC)cc(Cl)c1[O-] ZINC000273845883 256332176 /nfs/dbraw/zinc/33/21/76/256332176.db2.gz KNHCRVYVOIGBHF-UHFFFAOYSA-N -1 1 329.780 2.373 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000416220447 533446884 /nfs/dbraw/zinc/44/68/84/533446884.db2.gz AIQLJOSCTIBMOT-MRVPVSSYSA-N -1 1 335.385 2.109 20 0 EEADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1 ZINC000119825760 142378237 /nfs/dbraw/zinc/37/82/37/142378237.db2.gz RMEHMCGPHICCJV-UHFFFAOYSA-N -1 1 329.385 2.026 20 0 EEADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000120497693 142391014 /nfs/dbraw/zinc/39/10/14/142391014.db2.gz PGFULIKBNKPIQR-UHFFFAOYSA-N -1 1 343.401 2.420 20 0 EEADMM C[C@H](C(=O)NC1CCCCC1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262961531 152346130 /nfs/dbraw/zinc/34/61/30/152346130.db2.gz KTIUUBDKUHICJP-YUSALJHKSA-N -1 1 336.354 2.019 20 0 EEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc4[nH]ccc43)no2)co1 ZINC000355931304 153207871 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CC(C)CN1CCO[C@H](CNC(=O)c2cccc(Cl)c2[O-])C1 ZINC000775644908 577441686 /nfs/dbraw/zinc/44/16/86/577441686.db2.gz XEGDMQIYCPUJCD-GFCCVEGCSA-N -1 1 326.824 2.132 20 0 EEADMM Cn1[n-]c(COC(=O)c2cncc(-c3ccc(Cl)cc3)c2)nc1=O ZINC000765497726 577501995 /nfs/dbraw/zinc/50/19/95/577501995.db2.gz WMUFHUWQUROVNS-UHFFFAOYSA-N -1 1 344.758 2.181 20 0 EEADMM NC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000766747498 577524275 /nfs/dbraw/zinc/52/42/75/577524275.db2.gz ZKNADSDZRDYFED-ZDUSSCGKSA-N -1 1 340.276 2.399 20 0 EEADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000767294872 577533895 /nfs/dbraw/zinc/53/38/95/577533895.db2.gz COXUDHAUDIHHGE-UHFFFAOYSA-N -1 1 338.360 2.000 20 0 EEADMM O=C(COC(=O)c1ccc(Br)c([O-])c1)[C@H]1CCCOC1 ZINC000769114835 577570081 /nfs/dbraw/zinc/57/00/81/577570081.db2.gz KUIPEPMBKHNCAV-JTQLQIEISA-N -1 1 343.173 2.307 20 0 EEADMM CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1c([O-])cccc1Cl ZINC000769743716 577583321 /nfs/dbraw/zinc/58/33/21/577583321.db2.gz OMFMBNKFHRSKCX-LLVKDONJSA-N -1 1 342.848 2.429 20 0 EEADMM CCOC(=O)[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCOCC1 ZINC000770135260 577590994 /nfs/dbraw/zinc/59/09/94/577590994.db2.gz ZOPSGHXGYWJEGO-CQSZACIVSA-N -1 1 341.791 2.134 20 0 EEADMM CCc1cc2c(COC(=O)C3(CCO)CC3)cc(=O)oc2cc1[O-] ZINC000770533687 577598292 /nfs/dbraw/zinc/59/82/92/577598292.db2.gz CJSBGTNPKUEQKP-UHFFFAOYSA-N -1 1 332.352 2.267 20 0 EEADMM O=C1O[C@H](CSc2nc(=O)cc([O-])n2C2CCCC2)CC12CC2 ZINC000762206121 577697192 /nfs/dbraw/zinc/69/71/92/577697192.db2.gz KXPSGCYDSOYIKJ-NSHDSACASA-N -1 1 336.413 2.252 20 0 EEADMM O=C1O[C@H](CSc2nc([O-])cc(=O)n2C2CCCC2)CC12CC2 ZINC000762206121 577697193 /nfs/dbraw/zinc/69/71/93/577697193.db2.gz KXPSGCYDSOYIKJ-NSHDSACASA-N -1 1 336.413 2.252 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)CC(C)C ZINC000751657334 577756903 /nfs/dbraw/zinc/75/69/03/577756903.db2.gz QCKBBLBDVYBZIZ-UHFFFAOYSA-N -1 1 333.388 2.143 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)c1ccncc1 ZINC000757705399 577862807 /nfs/dbraw/zinc/86/28/07/577862807.db2.gz SYAVGCJJGGOHRT-LBPRGKRZSA-N -1 1 326.356 2.294 20 0 EEADMM CC1N=NC(=S)N1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000743501491 577886461 /nfs/dbraw/zinc/88/64/61/577886461.db2.gz MCDXMDKMEDGGJS-UHFFFAOYSA-N -1 1 328.397 2.164 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1COc2ccccc2C1 ZINC000747213007 577940867 /nfs/dbraw/zinc/94/08/67/577940867.db2.gz YRLMWROVFMXEHO-NSHDSACASA-N -1 1 345.424 2.194 20 0 EEADMM C[C@@H]1CCCCN1C(=O)COC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000749103840 577971151 /nfs/dbraw/zinc/97/11/51/577971151.db2.gz FBLFSASJOALSRE-CYBMUJFWSA-N -1 1 343.383 2.136 20 0 EEADMM CCc1[nH]n(C)c2nnc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)c1-2 ZINC000749135033 577971687 /nfs/dbraw/zinc/97/16/87/577971687.db2.gz JGSQTZQCMJBSJJ-UHFFFAOYSA-N -1 1 343.391 2.039 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)c2ccccc2O1 ZINC000739614463 578060944 /nfs/dbraw/zinc/06/09/44/578060944.db2.gz OWBAEKNFTSDSQS-OAHLLOKOSA-N -1 1 339.307 2.162 20 0 EEADMM O=C([O-])COc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1 ZINC000739822905 578069040 /nfs/dbraw/zinc/06/90/40/578069040.db2.gz DYRCPMUYGQNWLB-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOC2CCCCCC2)o1 ZINC000740955087 578109700 /nfs/dbraw/zinc/10/97/00/578109700.db2.gz XJTHDTBJCSQQOX-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC000735757084 578166854 /nfs/dbraw/zinc/16/68/54/578166854.db2.gz SQYFGVKFMXDAGD-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC000735757084 578166855 /nfs/dbraw/zinc/16/68/55/578166855.db2.gz SQYFGVKFMXDAGD-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM CC(C)CN1CCO[C@@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000735841842 578170867 /nfs/dbraw/zinc/17/08/67/578170867.db2.gz WUVNJLHJGQEAPW-ZDUSSCGKSA-N -1 1 349.456 2.203 20 0 EEADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736137460 578182788 /nfs/dbraw/zinc/18/27/88/578182788.db2.gz MRPHDAHQPGNJOM-ZETCQYMHSA-N -1 1 341.766 2.360 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2[nH]1 ZINC000736157733 578183612 /nfs/dbraw/zinc/18/36/12/578183612.db2.gz LLYYFLUXHMWLBX-SECBINFHSA-N -1 1 335.327 2.056 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2[nH]1 ZINC000736157733 578183613 /nfs/dbraw/zinc/18/36/13/578183613.db2.gz LLYYFLUXHMWLBX-SECBINFHSA-N -1 1 335.327 2.056 20 0 EEADMM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736206858 578187320 /nfs/dbraw/zinc/18/73/20/578187320.db2.gz ZDGWRHVLULSWJM-CQSZACIVSA-N -1 1 330.428 2.147 20 0 EEADMM CC1(C)Oc2ccc(NC(=O)N3CCC(c4nn[n-]n4)CC3)cc2O1 ZINC000736213646 578187720 /nfs/dbraw/zinc/18/77/20/578187720.db2.gz HPPRGVQQDXOIBC-UHFFFAOYSA-N -1 1 344.375 2.119 20 0 EEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nccnc1-c1nnn[n-]1 ZINC000736232389 578188798 /nfs/dbraw/zinc/18/87/98/578188798.db2.gz CTDCQVBWXQHOLQ-PWSUYJOCSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1nccnc1-c1nn[n-]n1 ZINC000736232389 578188799 /nfs/dbraw/zinc/18/87/99/578188799.db2.gz CTDCQVBWXQHOLQ-PWSUYJOCSA-N -1 1 325.351 2.178 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000736327072 578196167 /nfs/dbraw/zinc/19/61/67/578196167.db2.gz ATNDPYBSNUGYCS-GFCCVEGCSA-N -1 1 339.461 2.123 20 0 EEADMM CN(Cc1cnn(-c2ccccc2)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000736830842 578226279 /nfs/dbraw/zinc/22/62/79/578226279.db2.gz AGHBDWWQKQCMAW-UHFFFAOYSA-N -1 1 332.371 2.084 20 0 EEADMM CN(Cc1cnn(-c2ccccc2)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000736830842 578226280 /nfs/dbraw/zinc/22/62/80/578226280.db2.gz AGHBDWWQKQCMAW-UHFFFAOYSA-N -1 1 332.371 2.084 20 0 EEADMM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000736979923 578232184 /nfs/dbraw/zinc/23/21/84/578232184.db2.gz RCAFSXSMOLYEEV-AWEZNQCLSA-N -1 1 340.370 2.366 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CCC(C(=O)[O-])CC1)c1ccco1 ZINC000737085697 578237290 /nfs/dbraw/zinc/23/72/90/578237290.db2.gz QSCKVCOOGBFBHG-CQSZACIVSA-N -1 1 337.420 2.169 20 0 EEADMM Cc1ccccc1C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737414879 578256221 /nfs/dbraw/zinc/25/62/21/578256221.db2.gz FEJSMOZBHJPIMH-UHFFFAOYSA-N -1 1 345.362 2.373 20 0 EEADMM CN1CCCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000737518978 578261939 /nfs/dbraw/zinc/26/19/39/578261939.db2.gz VHBORUQMJKBRQZ-INIZCTEOSA-N -1 1 334.416 2.031 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000737546201 578263285 /nfs/dbraw/zinc/26/32/85/578263285.db2.gz AJOWAPUXMBHVMN-KOLCDFICSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000737546201 578263286 /nfs/dbraw/zinc/26/32/86/578263286.db2.gz AJOWAPUXMBHVMN-KOLCDFICSA-N -1 1 327.344 2.372 20 0 EEADMM Clc1cc2c(cc1Sc1nccnc1-c1nn[n-]n1)OCCO2 ZINC000737563058 578264362 /nfs/dbraw/zinc/26/43/62/578264362.db2.gz DOMVSTHJOPPMDD-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1ccc(N2CCC(Cn3cccn3)CC2)nc1-c1nnn[n-]1 ZINC000737575629 578265321 /nfs/dbraw/zinc/26/53/21/578265321.db2.gz OGVTUNXXMQKHRT-UHFFFAOYSA-N -1 1 344.810 2.028 20 0 EEADMM Clc1ccc(N2CCC(Cn3cccn3)CC2)nc1-c1nn[n-]n1 ZINC000737575629 578265322 /nfs/dbraw/zinc/26/53/22/578265322.db2.gz OGVTUNXXMQKHRT-UHFFFAOYSA-N -1 1 344.810 2.028 20 0 EEADMM COc1ccc(NC(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000738025169 578276928 /nfs/dbraw/zinc/27/69/28/578276928.db2.gz GLAGVXACLJMDNS-IUODEOHRSA-N -1 1 332.400 2.209 20 0 EEADMM CCCCOCCOCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821077399 599099972 /nfs/dbraw/zinc/09/99/72/599099972.db2.gz DMWUREUYBYBHMQ-UHFFFAOYSA-N -1 1 340.815 2.160 20 0 EEADMM CCCCOCCOCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821077399 599099975 /nfs/dbraw/zinc/09/99/75/599099975.db2.gz DMWUREUYBYBHMQ-UHFFFAOYSA-N -1 1 340.815 2.160 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC[C@@H](CC(=O)[O-])C3)o2)cc1 ZINC000818570775 597071723 /nfs/dbraw/zinc/07/17/23/597071723.db2.gz VEPKGOVSGSVFJW-LBPRGKRZSA-N -1 1 331.372 2.432 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C[C@@H](Cc3ccccc3)OC2=O)C1 ZINC000821515093 597671697 /nfs/dbraw/zinc/67/16/97/597671697.db2.gz DKIVSJCISTVEPK-HZPDHXFCSA-N -1 1 332.400 2.194 20 0 EEADMM Fc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC000826372655 608418841 /nfs/dbraw/zinc/41/88/41/608418841.db2.gz HBUJIPVPMXGLGM-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC000826372655 608418843 /nfs/dbraw/zinc/41/88/43/608418843.db2.gz HBUJIPVPMXGLGM-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)[C@H]2CCO[C@H]21 ZINC000820586301 599571305 /nfs/dbraw/zinc/57/13/05/599571305.db2.gz VEMQVCMLPAUNNS-HFBAOOFYSA-N -1 1 336.399 2.062 20 0 EEADMM CC1(C)[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)[C@H]2CCO[C@H]21 ZINC000820586301 599571308 /nfs/dbraw/zinc/57/13/08/599571308.db2.gz VEMQVCMLPAUNNS-HFBAOOFYSA-N -1 1 336.399 2.062 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H](C(F)(F)F)O1 ZINC000820776732 599688151 /nfs/dbraw/zinc/68/81/51/599688151.db2.gz NCBCVPUNLZEPSW-HTRCEHHLSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H](C(F)(F)F)O1 ZINC000820776732 599688152 /nfs/dbraw/zinc/68/81/52/599688152.db2.gz NCBCVPUNLZEPSW-HTRCEHHLSA-N -1 1 348.716 2.071 20 0 EEADMM O=C([O-])[C@@H](NCCn1c(=O)oc2ccccc21)c1ccccc1F ZINC000833165218 600748173 /nfs/dbraw/zinc/74/81/73/600748173.db2.gz GVJORGFEGGDFNX-HNNXBMFYSA-N -1 1 330.315 2.149 20 0 EEADMM CCN(C(=O)CN1CCSC[C@H]1CC(=O)[O-])C1CCCCC1 ZINC000316926153 601025051 /nfs/dbraw/zinc/02/50/51/601025051.db2.gz DSWJBJSYJMJYQV-CQSZACIVSA-N -1 1 328.478 2.060 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nc3ccccc3s2)CC1 ZINC000827373968 601123646 /nfs/dbraw/zinc/12/36/46/601123646.db2.gz CHVOEZALQHBVSI-LLVKDONJSA-N -1 1 348.428 2.309 20 0 EEADMM c1csc([C@H]2CCCCN2Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826515860 607493672 /nfs/dbraw/zinc/49/36/72/607493672.db2.gz NSNYOLFXGKXELH-CYBMUJFWSA-N -1 1 327.417 2.445 20 0 EEADMM CCc1c(NC(=O)c2ccnc(C(=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000830202701 601249372 /nfs/dbraw/zinc/24/93/72/601249372.db2.gz OZBXDEQJCASRQU-UHFFFAOYSA-N -1 1 337.339 2.380 20 0 EEADMM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000833235195 601513065 /nfs/dbraw/zinc/51/30/65/601513065.db2.gz VVAFGYMGPLYAES-UHFFFAOYSA-N -1 1 340.339 2.182 20 0 EEADMM CSc1ccccc1NC(=O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000832790781 601553257 /nfs/dbraw/zinc/55/32/57/601553257.db2.gz SXYUHUFCYSTISA-OAHLLOKOSA-N -1 1 326.393 2.236 20 0 EEADMM O=C(CSc1n[nH]c(=S)s1)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000833115712 601787844 /nfs/dbraw/zinc/78/78/44/601787844.db2.gz CWAVZSYLPZHWSQ-SECBINFHSA-N -1 1 347.487 2.069 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC000819018771 601823604 /nfs/dbraw/zinc/82/36/04/601823604.db2.gz NAILUDYQEHKBIH-INIZCTEOSA-N -1 1 344.415 2.126 20 0 EEADMM CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825160305 607530777 /nfs/dbraw/zinc/53/07/77/607530777.db2.gz ZFENJQAEFOTLBV-HNNXBMFYSA-N -1 1 343.412 2.328 20 0 EEADMM CC[C@@H](c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825160305 607530779 /nfs/dbraw/zinc/53/07/79/607530779.db2.gz ZFENJQAEFOTLBV-HNNXBMFYSA-N -1 1 343.412 2.328 20 0 EEADMM O=C([O-])Nc1cc(C(=O)NCc2cnc[nH]2)cc(C(F)(F)F)c1 ZINC000833282037 602016066 /nfs/dbraw/zinc/01/60/66/602016066.db2.gz SVEQUMZTYOBCCT-UHFFFAOYSA-N -1 1 328.250 2.448 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)N2CCCC2)o1 ZINC000832924664 602066778 /nfs/dbraw/zinc/06/67/78/602066778.db2.gz XQANDUDUSNJSAW-KSSFIOAISA-N -1 1 349.431 2.231 20 0 EEADMM Cc1cc(C)c(CCNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c(C)c1 ZINC000832878664 602226730 /nfs/dbraw/zinc/22/67/30/602226730.db2.gz WJYNXMCBUGULLN-QGZVFWFLSA-N -1 1 334.460 2.359 20 0 EEADMM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825061940 607597761 /nfs/dbraw/zinc/59/77/61/607597761.db2.gz ZTSSGOCBKGSOKE-RKDXNWHRSA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825061940 607597762 /nfs/dbraw/zinc/59/77/62/607597762.db2.gz ZTSSGOCBKGSOKE-RKDXNWHRSA-N -1 1 343.840 2.233 20 0 EEADMM O=C(CNc1ccccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826414405 607608057 /nfs/dbraw/zinc/60/80/57/607608057.db2.gz UKWQZQSGGISPSV-UHFFFAOYSA-N -1 1 344.762 2.070 20 0 EEADMM O=C(CNc1ccccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826414405 607608060 /nfs/dbraw/zinc/60/80/60/607608060.db2.gz UKWQZQSGGISPSV-UHFFFAOYSA-N -1 1 344.762 2.070 20 0 EEADMM CCC(CC)(CC)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825089524 607646972 /nfs/dbraw/zinc/64/69/72/607646972.db2.gz HXZLPQDSYFOIKC-UHFFFAOYSA-N -1 1 341.412 2.253 20 0 EEADMM CCC(CC)(CC)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825089524 607646974 /nfs/dbraw/zinc/64/69/74/607646974.db2.gz HXZLPQDSYFOIKC-UHFFFAOYSA-N -1 1 341.412 2.253 20 0 EEADMM Cc1nnc(SCC(=O)N(CCCC(=O)[O-])Cc2ccccc2)[nH]1 ZINC000832990528 604351245 /nfs/dbraw/zinc/35/12/45/604351245.db2.gz DPMUELFANPHWNW-UHFFFAOYSA-N -1 1 348.428 2.099 20 0 EEADMM Cc1n[nH]c(SCC(=O)N(CCCC(=O)[O-])Cc2ccccc2)n1 ZINC000832990528 604351247 /nfs/dbraw/zinc/35/12/47/604351247.db2.gz DPMUELFANPHWNW-UHFFFAOYSA-N -1 1 348.428 2.099 20 0 EEADMM O=C([O-])c1cn(CC(=O)N[C@@H]2CCCc3cn[nH]c32)c2ccccc12 ZINC000833119870 604426383 /nfs/dbraw/zinc/42/63/83/604426383.db2.gz MCXFTLGKDSDYAC-CQSZACIVSA-N -1 1 338.367 2.256 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000830582005 604520654 /nfs/dbraw/zinc/52/06/54/604520654.db2.gz UZRDQGYBXXUUEP-LSDHHAIUSA-N -1 1 337.395 2.077 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000833208779 604601235 /nfs/dbraw/zinc/60/12/35/604601235.db2.gz SMQCBWOKMAKDGI-JKSUJKDBSA-N -1 1 334.391 2.256 20 0 EEADMM CCCN(CC)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833651294 604898304 /nfs/dbraw/zinc/89/83/04/604898304.db2.gz UNGSUYONXXHURZ-INIZCTEOSA-N -1 1 344.415 2.072 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC000833605994 605046047 /nfs/dbraw/zinc/04/60/47/605046047.db2.gz VKEUYGWYWZMMHE-VNHYZAJKSA-N -1 1 349.431 2.093 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/SCc1ccco1 ZINC000833618508 605101409 /nfs/dbraw/zinc/10/14/09/605101409.db2.gz BSVGJPPLUIAEHU-KADSFNECSA-N -1 1 338.429 2.034 20 0 EEADMM C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC000833625400 605173361 /nfs/dbraw/zinc/17/33/61/605173361.db2.gz WPOGWTSXRWYGJT-HUUCEWRRSA-N -1 1 347.459 2.402 20 0 EEADMM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Br)c2)CCN1C ZINC000107923727 605209029 /nfs/dbraw/zinc/20/90/29/605209029.db2.gz SDSBKCHAAGZPQV-MFKMUULPSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc3c2CCCC3)CCN1CCC(=O)[O-] ZINC000833625326 605252489 /nfs/dbraw/zinc/25/24/89/605252489.db2.gz UKWNRHUJLBYGLR-GFCCVEGCSA-N -1 1 336.457 2.248 20 0 EEADMM O=C(CNc1ccccc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823014391 606128953 /nfs/dbraw/zinc/12/89/53/606128953.db2.gz LUFGNHTYRNMIPM-UHFFFAOYSA-N -1 1 344.762 2.276 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000822609370 606160237 /nfs/dbraw/zinc/16/02/37/606160237.db2.gz NABVFJITNMAFGW-JTQLQIEISA-N -1 1 344.404 2.031 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000822609370 606160239 /nfs/dbraw/zinc/16/02/39/606160239.db2.gz NABVFJITNMAFGW-JTQLQIEISA-N -1 1 344.404 2.031 20 0 EEADMM FC(F)Cn1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000822732049 606403250 /nfs/dbraw/zinc/40/32/50/606403250.db2.gz HNWVMXJHUAOKLO-UHFFFAOYSA-N -1 1 343.301 2.015 20 0 EEADMM FC(F)Cn1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000822732049 606403251 /nfs/dbraw/zinc/40/32/51/606403251.db2.gz HNWVMXJHUAOKLO-UHFFFAOYSA-N -1 1 343.301 2.015 20 0 EEADMM Clc1ccc(Oc2ccc(-n3cncn3)cc2)nc1-c1nnn[n-]1 ZINC000822579241 606467124 /nfs/dbraw/zinc/46/71/24/606467124.db2.gz ZBCKENPWCMEVFW-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM Clc1ccc(Oc2ccc(-n3cncn3)cc2)nc1-c1nn[n-]n1 ZINC000822579241 606467125 /nfs/dbraw/zinc/46/71/25/606467125.db2.gz ZBCKENPWCMEVFW-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM CCOC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821343801 606487568 /nfs/dbraw/zinc/48/75/68/606487568.db2.gz TXEGVIOFCIYYAR-UHFFFAOYSA-N -1 1 343.368 2.357 20 0 EEADMM CCOC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821343801 606487570 /nfs/dbraw/zinc/48/75/70/606487570.db2.gz TXEGVIOFCIYYAR-UHFFFAOYSA-N -1 1 343.368 2.357 20 0 EEADMM COC(=O)c1sc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000821670983 606496914 /nfs/dbraw/zinc/49/69/14/606496914.db2.gz AXKRTNPOGWUSME-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1sc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000821670983 606496915 /nfs/dbraw/zinc/49/69/15/606496915.db2.gz AXKRTNPOGWUSME-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM Cc1cccc(OC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822328387 606531384 /nfs/dbraw/zinc/53/13/84/606531384.db2.gz OWLLJCCOHHAHLG-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc(OC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822328387 606531386 /nfs/dbraw/zinc/53/13/86/606531386.db2.gz OWLLJCCOHHAHLG-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1csc(CCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822409612 606547802 /nfs/dbraw/zinc/54/78/02/606547802.db2.gz SXZWBIPRQOXTFO-UHFFFAOYSA-N -1 1 348.457 2.446 20 0 EEADMM Cc1csc(CCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822409612 606547804 /nfs/dbraw/zinc/54/78/04/606547804.db2.gz SXZWBIPRQOXTFO-UHFFFAOYSA-N -1 1 348.457 2.446 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](Nc2ccccc2)C1 ZINC000823484315 606550067 /nfs/dbraw/zinc/55/00/67/606550067.db2.gz VPNNODXTFCXWKP-LBPRGKRZSA-N -1 1 340.412 2.255 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](Nc2ccccc2)C1 ZINC000823484315 606550068 /nfs/dbraw/zinc/55/00/68/606550068.db2.gz VPNNODXTFCXWKP-LBPRGKRZSA-N -1 1 340.412 2.255 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC000822714769 606595285 /nfs/dbraw/zinc/59/52/85/606595285.db2.gz UCEFBMXZCMXXCQ-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC000822714769 606595286 /nfs/dbraw/zinc/59/52/86/606595286.db2.gz UCEFBMXZCMXXCQ-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1C2CC3CC(C2)CC1C3 ZINC000823436094 606649092 /nfs/dbraw/zinc/64/90/92/606649092.db2.gz GNAGFIYTUDLVPX-UHFFFAOYSA-N -1 1 339.399 2.377 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1C2CC3CC(C2)CC1C3 ZINC000823436094 606649093 /nfs/dbraw/zinc/64/90/93/606649093.db2.gz GNAGFIYTUDLVPX-UHFFFAOYSA-N -1 1 339.399 2.377 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CSc2ccccc21 ZINC000823436382 606653373 /nfs/dbraw/zinc/65/33/73/606653373.db2.gz SKLXZKUVQJMTKN-LBPRGKRZSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CSc2ccccc21 ZINC000823436382 606653374 /nfs/dbraw/zinc/65/33/74/606653374.db2.gz SKLXZKUVQJMTKN-LBPRGKRZSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823289250 606699169 /nfs/dbraw/zinc/69/91/69/606699169.db2.gz HCLOVVKISIIKSJ-UONOGXRCSA-N -1 1 335.367 2.390 20 0 EEADMM Clc1cccnc1N1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822591924 606875981 /nfs/dbraw/zinc/87/59/81/606875981.db2.gz ZDBQTLPTWSZWAG-JTQLQIEISA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccnc1N1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822591924 606875982 /nfs/dbraw/zinc/87/59/82/606875982.db2.gz ZDBQTLPTWSZWAG-JTQLQIEISA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N2CCN(c3cccs3)CC2)nc1-c1nnn[n-]1 ZINC000822578476 606876242 /nfs/dbraw/zinc/87/62/42/606876242.db2.gz JQMNOXQCYIQWCT-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Clc1ccc(N2CCN(c3cccs3)CC2)nc1-c1nn[n-]n1 ZINC000822578476 606876243 /nfs/dbraw/zinc/87/62/43/606876243.db2.gz JQMNOXQCYIQWCT-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCCO1 ZINC000819981611 606955981 /nfs/dbraw/zinc/95/59/81/606955981.db2.gz ZVDYFVRCRLSWNZ-LBPRGKRZSA-N -1 1 335.433 2.253 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCCO1 ZINC000819981611 606955982 /nfs/dbraw/zinc/95/59/82/606955982.db2.gz ZVDYFVRCRLSWNZ-LBPRGKRZSA-N -1 1 335.433 2.253 20 0 EEADMM Cn1ccc2c1cccc2C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822688932 607107929 /nfs/dbraw/zinc/10/79/29/607107929.db2.gz DZTXIEDCJICKGH-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1ccc2c1cccc2C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822688932 607107930 /nfs/dbraw/zinc/10/79/30/607107930.db2.gz DZTXIEDCJICKGH-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1ccccc1O[C@@H]1CCOC1 ZINC000823792033 607130578 /nfs/dbraw/zinc/13/05/78/607130578.db2.gz NHKCXDHJXZYMGW-GFCCVEGCSA-N -1 1 327.344 2.240 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1ccccc1O[C@@H]1CCOC1 ZINC000823792033 607130581 /nfs/dbraw/zinc/13/05/81/607130581.db2.gz NHKCXDHJXZYMGW-GFCCVEGCSA-N -1 1 327.344 2.240 20 0 EEADMM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823074741 607159372 /nfs/dbraw/zinc/15/93/72/607159372.db2.gz UKBIWICFLYIRBS-UHFFFAOYSA-N -1 1 349.272 2.171 20 0 EEADMM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823346116 607223631 /nfs/dbraw/zinc/22/36/31/607223631.db2.gz JEUWJTYJUYGAMP-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(Nc1ccc(F)cc1NC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823346116 607223632 /nfs/dbraw/zinc/22/36/32/607223632.db2.gz JEUWJTYJUYGAMP-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM COCCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000826162496 607897397 /nfs/dbraw/zinc/89/73/97/607897397.db2.gz DYCCAQNIHJVLAM-UHFFFAOYSA-N -1 1 326.360 2.339 20 0 EEADMM COCCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826162496 607897398 /nfs/dbraw/zinc/89/73/98/607897398.db2.gz DYCCAQNIHJVLAM-UHFFFAOYSA-N -1 1 326.360 2.339 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825991644 608173753 /nfs/dbraw/zinc/17/37/53/608173753.db2.gz FNKVKIVABCSYBC-UHFFFAOYSA-N -1 1 346.807 2.489 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825991644 608173754 /nfs/dbraw/zinc/17/37/54/608173754.db2.gz FNKVKIVABCSYBC-UHFFFAOYSA-N -1 1 346.807 2.489 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nnn[n-]2)nn1)CC3 ZINC000826293627 608395275 /nfs/dbraw/zinc/39/52/75/608395275.db2.gz WMWPWIMKNXYCAV-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1ccc(-c2nn[n-]n2)nn1)CC3 ZINC000826293627 608395276 /nfs/dbraw/zinc/39/52/76/608395276.db2.gz WMWPWIMKNXYCAV-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Brc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC000823826242 608398256 /nfs/dbraw/zinc/39/82/56/608398256.db2.gz FANAZINORPXUBF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC000823826242 608398258 /nfs/dbraw/zinc/39/82/58/608398258.db2.gz FANAZINORPXUBF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CCCN(Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825323142 608406872 /nfs/dbraw/zinc/40/68/72/608406872.db2.gz PQGZCFRLTFWICH-UHFFFAOYSA-N -1 1 325.376 2.082 20 0 EEADMM CCCN(Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825323142 608406873 /nfs/dbraw/zinc/40/68/73/608406873.db2.gz PQGZCFRLTFWICH-UHFFFAOYSA-N -1 1 325.376 2.082 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCc1cnn(-c2ccccc2)c1 ZINC000826280514 608542904 /nfs/dbraw/zinc/54/29/04/608542904.db2.gz FDHYQMRNZRAFKS-UHFFFAOYSA-N -1 1 346.398 2.410 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccsc2)O1 ZINC000824984893 608734247 /nfs/dbraw/zinc/73/42/47/608734247.db2.gz OXDKTZVWGQBOLR-IINYFYTJSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccsc2)O1 ZINC000824984893 608734249 /nfs/dbraw/zinc/73/42/49/608734249.db2.gz OXDKTZVWGQBOLR-IINYFYTJSA-N -1 1 331.401 2.483 20 0 EEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908578 609135481 /nfs/dbraw/zinc/13/54/81/609135481.db2.gz PYGWMCJDWDJEKG-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908578 609135482 /nfs/dbraw/zinc/13/54/82/609135482.db2.gz PYGWMCJDWDJEKG-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM Cc1nc(SCCOc2cccc(-c3nn[nH]n3)c2)[n-]c(=O)c1C ZINC000826327692 609181572 /nfs/dbraw/zinc/18/15/72/609181572.db2.gz QIJRPRIIBJFUAL-UHFFFAOYSA-N -1 1 344.400 2.150 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824087208 609323214 /nfs/dbraw/zinc/32/32/14/609323214.db2.gz RJZQIMAGWQCFQV-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824087208 609323216 /nfs/dbraw/zinc/32/32/16/609323216.db2.gz RJZQIMAGWQCFQV-SNVBAGLBSA-N -1 1 342.325 2.359 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1S(C)(=O)=O ZINC000826291435 609489514 /nfs/dbraw/zinc/48/95/14/609489514.db2.gz FRGPETDXYMYTHD-UHFFFAOYSA-N -1 1 349.441 2.252 20 0 EEADMM O=C([N-]NC(=O)c1cccnc1)c1cccnc1SC(F)(F)F ZINC000067778002 675092125 /nfs/dbraw/zinc/09/21/25/675092125.db2.gz HVXJOCBCGNNAQZ-UHFFFAOYSA-N -1 1 342.302 2.163 20 0 EEADMM CC(C)(CC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C1CCCCC1 ZINC000970484990 675929286 /nfs/dbraw/zinc/92/92/86/675929286.db2.gz VMXSFTQCLUJZDC-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc(Br)cc1[O-] ZINC000891052395 675992284 /nfs/dbraw/zinc/99/22/84/675992284.db2.gz ILGVDXHXADFKIU-NEPJUHHUSA-N -1 1 326.190 2.310 20 0 EEADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000891069751 676018680 /nfs/dbraw/zinc/01/86/80/676018680.db2.gz XNWIQJSUDZGFGA-RYUDHWBXSA-N -1 1 326.190 2.310 20 0 EEADMM O=C(N[C@@H]1COC[C@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000891069750 676018736 /nfs/dbraw/zinc/01/87/36/676018736.db2.gz XNWIQJSUDZGFGA-NWDGAFQWSA-N -1 1 326.190 2.310 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1)C(C)(C)C ZINC001021442647 676088934 /nfs/dbraw/zinc/08/89/34/676088934.db2.gz SEFSJIHNRMTCHH-MELADBBJSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H]1CN(C(=O)CC2CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020724492 675451612 /nfs/dbraw/zinc/45/16/12/675451612.db2.gz XJWSRHDRBOLOJZ-ZFWWWQNUSA-N -1 1 345.443 2.192 20 0 EEADMM COCc1nc(N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc(=O)[n-]1 ZINC000892031854 677924834 /nfs/dbraw/zinc/92/48/34/677924834.db2.gz CCZARTKQIXBXTJ-NSHDSACASA-N -1 1 344.371 2.458 20 0 EEADMM CCc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000060861869 676400088 /nfs/dbraw/zinc/40/00/88/676400088.db2.gz RRTQFHKHQIYKAH-ZROIWOOFSA-N -1 1 331.441 2.444 20 0 EEADMM CN(Cc1cc(F)ccc1F)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394465 676520438 /nfs/dbraw/zinc/52/04/38/676520438.db2.gz PSLJMCDHZMRSJS-AWEZNQCLSA-N -1 1 347.365 2.412 20 0 EEADMM COCc1nc(NCCCn2c(C)nc3ccccc32)cc(=O)[n-]1 ZINC000891515671 676681192 /nfs/dbraw/zinc/68/11/92/676681192.db2.gz IXTNCHURAGKSMI-UHFFFAOYSA-N -1 1 327.388 2.489 20 0 EEADMM COCc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)cc(=O)[n-]1 ZINC000891532448 676687749 /nfs/dbraw/zinc/68/77/49/676687749.db2.gz XNJBHGOKLDPKED-UHFFFAOYSA-N -1 1 348.834 2.304 20 0 EEADMM COCc1nc(C)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)s1 ZINC000891620783 676729822 /nfs/dbraw/zinc/72/98/22/676729822.db2.gz BCWZSZQHCIBAIQ-UHFFFAOYSA-N -1 1 334.401 2.225 20 0 EEADMM Cc1nc2ccccc2n1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622537 676731079 /nfs/dbraw/zinc/73/10/79/676731079.db2.gz 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Cn1cc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000031313930 683376568 /nfs/dbraw/zinc/37/65/68/683376568.db2.gz BLBMKNGOLJVCPN-UHFFFAOYSA-N -1 1 344.279 2.102 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)o1 ZINC000983845052 683609824 /nfs/dbraw/zinc/60/98/24/683609824.db2.gz HOJALGDPMZHMIO-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000983856262 683621878 /nfs/dbraw/zinc/62/18/78/683621878.db2.gz AGQJSJCDTXPWBM-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM Cc1ccoc1C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983882151 683699265 /nfs/dbraw/zinc/69/92/65/683699265.db2.gz XIQDTDXMZAJXQY-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM COC(=O)[C@@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000895085210 683809873 /nfs/dbraw/zinc/80/98/73/683809873.db2.gz KZIYPGOOCSBFLK-AWEZNQCLSA-N -1 1 331.393 2.276 20 0 EEADMM CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984107320 684110505 /nfs/dbraw/zinc/11/05/05/684110505.db2.gz QZXADCWZMLQWSF-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978754208 693859599 /nfs/dbraw/zinc/85/95/99/693859599.db2.gz PYASHAFJXQZMJW-MJBXVCDLSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(Cc2ccccc2F)C1 ZINC000949948053 684623902 /nfs/dbraw/zinc/62/39/02/684623902.db2.gz IUNBUSUOMYARSU-UHFFFAOYSA-N -1 1 329.375 2.273 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2c(F)cccc2F)co1 ZINC000193776278 684876763 /nfs/dbraw/zinc/87/67/63/684876763.db2.gz WYORKMKVXCUGFW-QMMMGPOBSA-N -1 1 345.323 2.384 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984685962 685016090 /nfs/dbraw/zinc/01/60/90/685016090.db2.gz WWZKSRWOPSUZRM-UONOGXRCSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC001059515218 686279296 /nfs/dbraw/zinc/27/92/96/686279296.db2.gz UPORVPMLHRTFEK-CQSZACIVSA-N -1 1 339.395 2.069 20 0 EEADMM CC1(C)CC(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001059515959 686282975 /nfs/dbraw/zinc/28/29/75/686282975.db2.gz BIJFGTNLSFXQGB-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccsc2)C1)c1ncccc1[O-] ZINC000975226625 686319703 /nfs/dbraw/zinc/31/97/03/686319703.db2.gz QNVHDNSCXXODLL-LBPRGKRZSA-N -1 1 345.424 2.131 20 0 EEADMM CC(C)C(=O)NCCN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897281135 686518694 /nfs/dbraw/zinc/51/86/94/686518694.db2.gz ILVDZHWBSHOCLL-UHFFFAOYSA-N -1 1 330.384 2.095 20 0 EEADMM C[C@](O)(CNC(=O)c1ccc(Br)cc1[O-])c1ccco1 ZINC000304435081 686999194 /nfs/dbraw/zinc/99/91/94/686999194.db2.gz VGEDAONHRIHIEE-AWEZNQCLSA-N -1 1 340.173 2.385 20 0 EEADMM O=C(C[C@H]1C=CCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000976238677 687487071 /nfs/dbraw/zinc/48/70/71/687487071.db2.gz RKLCWXZNOYGYEQ-RRFJBIMHSA-N -1 1 343.427 2.301 20 0 EEADMM CCc1nocc1CN(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001027381084 687814264 /nfs/dbraw/zinc/81/42/64/687814264.db2.gz 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O=C([O-])c1ccccc1-c1ccc(CNCCNC(=O)C2CC2)o1 ZINC001608943010 1351799565 /nfs/dbraw/zinc/79/95/65/1351799565.db2.gz FSULJSNJRAXOEH-UHFFFAOYSA-N -1 1 328.368 2.261 20 0 EEADMM O=S(=O)([N-]Cc1cccc(CO)c1)c1cnc(Cl)cc1Cl ZINC001320020507 1332811848 /nfs/dbraw/zinc/81/18/48/1332811848.db2.gz MYXRQOJLAZQUFC-UHFFFAOYSA-N -1 1 347.223 2.359 20 0 EEADMM C[C@H](C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)c(F)c1 ZINC001322141303 1333216129 /nfs/dbraw/zinc/21/61/29/1333216129.db2.gz OZXVBEPNOVPOKJ-ZUZCIYMTSA-N -1 1 343.337 2.487 20 0 EEADMM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001325298417 1333860189 /nfs/dbraw/zinc/86/01/89/1333860189.db2.gz NRJBBIMECXUBNT-BDAKNGLRSA-N -1 1 325.217 2.234 20 0 EEADMM C[C@H]1CN(c2cccc(F)c2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609175516 1351877946 /nfs/dbraw/zinc/87/79/46/1351877946.db2.gz SNHGKXQWZQTPDS-LBPRGKRZSA-N -1 1 339.378 2.116 20 0 EEADMM C[C@H]1CN(c2cccc(F)c2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609175516 1351877949 /nfs/dbraw/zinc/87/79/49/1351877949.db2.gz SNHGKXQWZQTPDS-LBPRGKRZSA-N -1 1 339.378 2.116 20 0 EEADMM CC[C@@H](C)CONC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001609184777 1351880276 /nfs/dbraw/zinc/88/02/76/1351880276.db2.gz OSVGQKRHRSMQDW-SNVBAGLBSA-N -1 1 344.375 2.266 20 0 EEADMM CC[C@@H](C)CONC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001609184777 1351880281 /nfs/dbraw/zinc/88/02/81/1351880281.db2.gz OSVGQKRHRSMQDW-SNVBAGLBSA-N -1 1 344.375 2.266 20 0 EEADMM CCN(C)C(=O)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001609221242 1351899469 /nfs/dbraw/zinc/89/94/69/1351899469.db2.gz NYDWDHYHOXKIDZ-UHFFFAOYSA-N -1 1 326.360 2.164 20 0 EEADMM CCN(C)C(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001609221242 1351899474 /nfs/dbraw/zinc/89/94/74/1351899474.db2.gz NYDWDHYHOXKIDZ-UHFFFAOYSA-N -1 1 326.360 2.164 20 0 EEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCOC(C)(C)C1 ZINC001609220477 1351899878 /nfs/dbraw/zinc/89/98/78/1351899878.db2.gz YWCGMVPLGNCGSC-JTQLQIEISA-N -1 1 335.433 2.348 20 0 EEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC(C)(C)C1 ZINC001609220477 1351899880 /nfs/dbraw/zinc/89/98/80/1351899880.db2.gz YWCGMVPLGNCGSC-JTQLQIEISA-N -1 1 335.433 2.348 20 0 EEADMM CCOCCC1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001609240073 1351904764 /nfs/dbraw/zinc/90/47/64/1351904764.db2.gz IVZUOECVDNUCPT-UHFFFAOYSA-N -1 1 345.403 2.292 20 0 EEADMM CCOCCC1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001609240073 1351904768 /nfs/dbraw/zinc/90/47/68/1351904768.db2.gz IVZUOECVDNUCPT-UHFFFAOYSA-N -1 1 345.403 2.292 20 0 EEADMM CCn1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC001609258709 1351913096 /nfs/dbraw/zinc/91/30/96/1351913096.db2.gz QUEHFVQMJXOPSX-UHFFFAOYSA-N -1 1 334.387 2.268 20 0 EEADMM CCn1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC001609258709 1351913097 /nfs/dbraw/zinc/91/30/97/1351913097.db2.gz QUEHFVQMJXOPSX-UHFFFAOYSA-N -1 1 334.387 2.268 20 0 EEADMM CO[C@H](C)c1nc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cs1 ZINC001609308738 1351927022 /nfs/dbraw/zinc/92/70/22/1351927022.db2.gz CWMSJBWFOQUPAQ-SECBINFHSA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@H](C)c1nc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cs1 ZINC001609308738 1351927025 /nfs/dbraw/zinc/92/70/25/1351927025.db2.gz CWMSJBWFOQUPAQ-SECBINFHSA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313325 1351929479 /nfs/dbraw/zinc/92/94/79/1351929479.db2.gz ICTZRPZOTSDURN-MNOVXSKESA-N -1 1 334.811 2.309 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313325 1351929480 /nfs/dbraw/zinc/92/94/80/1351929480.db2.gz ICTZRPZOTSDURN-MNOVXSKESA-N -1 1 334.811 2.309 20 0 EEADMM COCc1cc(CNc2ccc(C)c(-c3nnn[n-]3)n2)ccc1F ZINC001609330326 1351934718 /nfs/dbraw/zinc/93/47/18/1351934718.db2.gz CPGHVCLOMAMUIV-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COCc1cc(CNc2ccc(C)c(-c3nn[n-]n3)n2)ccc1F ZINC001609330326 1351934722 /nfs/dbraw/zinc/93/47/22/1351934722.db2.gz CPGHVCLOMAMUIV-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COc1c(-c2nn[n-]n2)ccc(=O)n1Cc1ccc(C(C)(C)C)cc1 ZINC001609332825 1351936190 /nfs/dbraw/zinc/93/61/90/1351936190.db2.gz PVKJYAYCVXXQOQ-UHFFFAOYSA-N -1 1 339.399 2.383 20 0 EEADMM COc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1OC(C)C ZINC001609358178 1351945663 /nfs/dbraw/zinc/94/56/63/1351945663.db2.gz FBIORDYTZMMIGX-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM COc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1OC(C)C ZINC001609358178 1351945665 /nfs/dbraw/zinc/94/56/65/1351945665.db2.gz FBIORDYTZMMIGX-UHFFFAOYSA-N -1 1 327.348 2.196 20 0 EEADMM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001330373257 1334831351 /nfs/dbraw/zinc/83/13/51/1334831351.db2.gz UJAWUABXWBTGRM-SNVBAGLBSA-N -1 1 338.832 2.197 20 0 EEADMM Cc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)cc(C)c1F ZINC001609395869 1351959023 /nfs/dbraw/zinc/95/90/23/1351959023.db2.gz LRLZRCMWZBJGOO-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)cc(C)c1F ZINC001609395869 1351959025 /nfs/dbraw/zinc/95/90/25/1351959025.db2.gz LRLZRCMWZBJGOO-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n(-c2ccccc2)n1 ZINC001609408794 1351965049 /nfs/dbraw/zinc/96/50/49/1351965049.db2.gz LQBXJSDANILRCL-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n(-c2ccccc2)n1 ZINC001609408794 1351965051 /nfs/dbraw/zinc/96/50/51/1351965051.db2.gz LQBXJSDANILRCL-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001609430828 1351974663 /nfs/dbraw/zinc/97/46/63/1351974663.db2.gz VWYIUENFGVDJLM-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001609430828 1351974666 /nfs/dbraw/zinc/97/46/66/1351974666.db2.gz VWYIUENFGVDJLM-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc3ccsc32)c1-c1nn[n-]n1 ZINC001609444805 1351980822 /nfs/dbraw/zinc/98/08/22/1351980822.db2.gz SXGICXGDBKJOLZ-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1[nH]nc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1-c1nn[n-]n1 ZINC001609444667 1351980874 /nfs/dbraw/zinc/98/08/74/1351980874.db2.gz NHMCFKLOHWERHP-UHFFFAOYSA-N -1 1 343.778 2.222 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC001609466706 1351988890 /nfs/dbraw/zinc/98/88/90/1351988890.db2.gz HKMMQNLKEPCDAF-UHFFFAOYSA-N -1 1 345.309 2.228 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(F)(c2ccccc2F)C1 ZINC001609466706 1351988891 /nfs/dbraw/zinc/98/88/91/1351988891.db2.gz HKMMQNLKEPCDAF-UHFFFAOYSA-N -1 1 345.309 2.228 20 0 EEADMM Cc1onc(CC(=O)N2CC3(CCCC3)[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC001609470693 1351989860 /nfs/dbraw/zinc/98/98/60/1351989860.db2.gz KIBRSBULEIDNGY-OAHLLOKOSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CC3(CCCC3)[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC001609470693 1351989861 /nfs/dbraw/zinc/98/98/61/1351989861.db2.gz KIBRSBULEIDNGY-OAHLLOKOSA-N -1 1 344.419 2.133 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001609472395 1351990050 /nfs/dbraw/zinc/99/00/50/1351990050.db2.gz FRGDMLQKAVZIMB-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609472395 1351990053 /nfs/dbraw/zinc/99/00/53/1351990053.db2.gz FRGDMLQKAVZIMB-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM FC(F)(F)c1ccnc(CCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609485286 1351993910 /nfs/dbraw/zinc/99/39/10/1351993910.db2.gz GXERSAZCWGVTSU-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccnc(CCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609485286 1351993912 /nfs/dbraw/zinc/99/39/12/1351993912.db2.gz GXERSAZCWGVTSU-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC001609490418 1351995994 /nfs/dbraw/zinc/99/59/94/1351995994.db2.gz TXTAXWUPDAQMBW-ZBFHGGJFSA-N -1 1 340.362 2.155 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC001609490418 1351995999 /nfs/dbraw/zinc/99/59/99/1351995999.db2.gz TXTAXWUPDAQMBW-ZBFHGGJFSA-N -1 1 340.362 2.155 20 0 EEADMM O=C(Nc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609567436 1352018004 /nfs/dbraw/zinc/01/80/04/1352018004.db2.gz KZRFMYDXZKTNJC-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM CN(C(=O)C(C)(C)c1csc(-c2ccccc2F)n1)c1nn[n-]n1 ZINC001334274543 1336232195 /nfs/dbraw/zinc/23/21/95/1336232195.db2.gz VBYBKWVWRAKOEB-UHFFFAOYSA-N -1 1 346.391 2.403 20 0 EEADMM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1 ZINC001609645634 1352049239 /nfs/dbraw/zinc/04/92/39/1352049239.db2.gz YJHPZHVGJOAGCH-MRVPVSSYSA-N -1 1 346.305 2.270 20 0 EEADMM CC(C)n1cnnc1[C@@H]1CCCN(Cc2cccc(C(=O)[O-])n2)C1 ZINC001609724461 1352069591 /nfs/dbraw/zinc/06/95/91/1352069591.db2.gz RTQKMGAYEAOYMU-CYBMUJFWSA-N -1 1 329.404 2.332 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc(Cl)c2F)CC1 ZINC001609734616 1352072248 /nfs/dbraw/zinc/07/22/48/1352072248.db2.gz GOTJJYFSFRAWEI-NSHDSACASA-N -1 1 342.798 2.029 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc3cc[nH]c32)CC1 ZINC001609735004 1352072267 /nfs/dbraw/zinc/07/22/67/1352072267.db2.gz VJKJFMLXCOSNBO-LBPRGKRZSA-N -1 1 330.388 2.181 20 0 EEADMM C[C@@](N)(C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001609761805 1352078556 /nfs/dbraw/zinc/07/85/56/1352078556.db2.gz NKFXSJIMNONCOJ-LIRRHRJNSA-N -1 1 344.386 2.059 20 0 EEADMM C[C@@H](Oc1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1)C(=O)[O-] ZINC001609802972 1352089098 /nfs/dbraw/zinc/08/90/98/1352089098.db2.gz NHVSBNYRCQSPGM-KUHUBIRLSA-N -1 1 349.427 2.308 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609831162 1352095785 /nfs/dbraw/zinc/09/57/85/1352095785.db2.gz CZFHQOSEKYRBHI-USJZOSNVSA-N -1 1 330.428 2.044 20 0 EEADMM C[C@@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CC2)CCN1CCC(=O)[O-] ZINC001609863220 1352105697 /nfs/dbraw/zinc/10/56/97/1352105697.db2.gz BSNFGFIBDJJPIY-CQSZACIVSA-N -1 1 348.418 2.156 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CCCCCO ZINC001342836671 1337322073 /nfs/dbraw/zinc/32/20/73/1337322073.db2.gz VMJNPACTHCRDAC-UHFFFAOYSA-N -1 1 339.827 2.318 20 0 EEADMM CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001609938927 1352124660 /nfs/dbraw/zinc/12/46/60/1352124660.db2.gz KJWAJQYNECFLRL-DZGCQCFKSA-N -1 1 336.457 2.032 20 0 EEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCCCCC2)cc(C(=O)[O-])c1 ZINC001610201568 1352184378 /nfs/dbraw/zinc/18/43/78/1352184378.db2.gz MHGSCWBVUFKPRB-GFCCVEGCSA-N -1 1 348.399 2.374 20 0 EEADMM COC(=O)c1oc([C@@H](C)N2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC001610220133 1352189448 /nfs/dbraw/zinc/18/94/48/1352189448.db2.gz CANJIUPIDLUGFX-MNOVXSKESA-N -1 1 327.402 2.328 20 0 EEADMM CSCCCN(C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610381913 1352213957 /nfs/dbraw/zinc/21/39/57/1352213957.db2.gz DNADPBHZXRNHOH-NSHDSACASA-N -1 1 328.459 2.237 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001610403703 1352217147 /nfs/dbraw/zinc/21/71/47/1352217147.db2.gz IVWXPLYUMGXWAM-ZDUSSCGKSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC001610489537 1352231665 /nfs/dbraw/zinc/23/16/65/1352231665.db2.gz IGGGSMMZGTZTHR-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cccc2cc(C(=O)N3CCN(C)C[C@@H](C(=O)[O-])C3)sc21 ZINC001610527529 1352239178 /nfs/dbraw/zinc/23/91/78/1352239178.db2.gz NFAHXKWYUDRFEQ-CYBMUJFWSA-N -1 1 332.425 2.298 20 0 EEADMM Cc1oc(S(=O)(=O)Nc2cc(C)cnc2Cl)cc1C(=O)[O-] ZINC001610539403 1352241322 /nfs/dbraw/zinc/24/13/22/1352241322.db2.gz DBYONFHWJJJZAX-UHFFFAOYSA-N -1 1 330.749 2.444 20 0 EEADMM Cn1cc(CNCc2ccnc(OCC(F)(F)F)c2)cc1C(=O)[O-] ZINC001610604744 1352252733 /nfs/dbraw/zinc/25/27/33/1352252733.db2.gz PDEHDBULGAKGGY-UHFFFAOYSA-N -1 1 343.305 2.349 20 0 EEADMM Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1C(=O)[O-] ZINC001610605870 1352252831 /nfs/dbraw/zinc/25/28/31/1352252831.db2.gz VODPGNNDUJIUBX-UHFFFAOYSA-N -1 1 348.380 2.043 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2nc(Cl)ccc2F)s1 ZINC001610772460 1352272213 /nfs/dbraw/zinc/27/22/13/1352272213.db2.gz NSHQAEFKIOTSEQ-UHFFFAOYSA-N -1 1 344.755 2.385 20 0 EEADMM O=C([O-])COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC001610787092 1352274494 /nfs/dbraw/zinc/27/44/94/1352274494.db2.gz SKNVODZEJGAXAX-JSGCOSHPSA-N -1 1 347.333 2.143 20 0 EEADMM O=C([O-])c1ccccc1CC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001610851333 1352285531 /nfs/dbraw/zinc/28/55/31/1352285531.db2.gz FTNMMATYVFWBLH-UHFFFAOYSA-N -1 1 327.384 2.132 20 0 EEADMM O=C([O-])c1coc(C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC001610866852 1352287572 /nfs/dbraw/zinc/28/75/72/1352287572.db2.gz UQCVBTIBIBORGF-UHFFFAOYSA-N -1 1 344.367 2.187 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(-c3nnc[nH]3)c1)C2 ZINC001610843319 1352283974 /nfs/dbraw/zinc/28/39/74/1352283974.db2.gz AEAYNMGXXLORRH-UHFFFAOYSA-N -1 1 334.335 2.326 20 0 EEADMM NC(=O)c1cc(NC(=O)c2ccc([O-])c(F)c2)nc2ccccc21 ZINC001611606030 1352302793 /nfs/dbraw/zinc/30/27/93/1352302793.db2.gz JCGMJNWZFLVQSM-UHFFFAOYSA-N -1 1 325.299 2.431 20 0 EEADMM CCc1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001431011850 1340407892 /nfs/dbraw/zinc/40/78/92/1340407892.db2.gz WQQFAEWNKCEVMN-CYBMUJFWSA-N -1 1 341.411 2.146 20 0 EEADMM O=C(CC1CCCCC1)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001431726134 1340703030 /nfs/dbraw/zinc/70/30/30/1340703030.db2.gz UMWLGJPIPKICPM-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(NCC1(NC(=O)[C@H]2CC23CCC3)CCCC1)c1ncccc1[O-] ZINC001432834257 1341408417 /nfs/dbraw/zinc/40/84/17/1341408417.db2.gz UEZLPUCBPNVWKG-CYBMUJFWSA-N -1 1 343.427 2.136 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC001434433978 1341843881 /nfs/dbraw/zinc/84/38/81/1341843881.db2.gz WQNUROIORBROIO-UHFFFAOYSA-N -1 1 344.371 2.103 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1nncn1-c1ccccc1 ZINC001545889326 1341981842 /nfs/dbraw/zinc/98/18/42/1341981842.db2.gz QRXOODQVOGCOFG-UHFFFAOYSA-N -1 1 338.371 2.447 20 0 EEADMM CSc1ncc(C(=O)N=c2sc3ccccc3n2C)c(=O)[n-]1 ZINC001556902738 1342438151 /nfs/dbraw/zinc/43/81/51/1342438151.db2.gz VEUHQYZVXXNTMT-UHFFFAOYSA-N -1 1 332.410 2.198 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC001558988066 1342494721 /nfs/dbraw/zinc/49/47/21/1342494721.db2.gz AORZYSRPENYCEP-UHFFFAOYSA-N -1 1 345.286 2.039 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1sccc1-c1nn[n-]n1 ZINC001580070833 1344463766 /nfs/dbraw/zinc/46/37/66/1344463766.db2.gz DXLSEGOAWAXYGA-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001580083400 1344469408 /nfs/dbraw/zinc/46/94/08/1344469408.db2.gz IDVSFSFHXXUNAR-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001580083400 1344469411 /nfs/dbraw/zinc/46/94/11/1344469411.db2.gz IDVSFSFHXXUNAR-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM Cc1ccc2[nH]ncc2c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001581214948 1344599444 /nfs/dbraw/zinc/59/94/44/1344599444.db2.gz OKBKPSJZXLGPEN-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM O=C([C@@H](F)c1ccccc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001581914726 1344686420 /nfs/dbraw/zinc/68/64/20/1344686420.db2.gz SNGPIIQFKHNBMQ-HNNXBMFYSA-N -1 1 338.346 2.252 20 0 EEADMM O=C([C@@H](F)c1ccccc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001581914726 1344686422 /nfs/dbraw/zinc/68/64/22/1344686422.db2.gz SNGPIIQFKHNBMQ-HNNXBMFYSA-N -1 1 338.346 2.252 20 0 EEADMM CC(=O)Nc1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1C ZINC001588873091 1348940306 /nfs/dbraw/zinc/94/03/06/1348940306.db2.gz FFQYEVMITZSNPK-UHFFFAOYSA-N -1 1 329.389 2.202 20 0 EEADMM CC(=O)Nc1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1C ZINC001588873091 1348940308 /nfs/dbraw/zinc/94/03/08/1348940308.db2.gz FFQYEVMITZSNPK-UHFFFAOYSA-N -1 1 329.389 2.202 20 0 EEADMM C[C@H](C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001588959299 1348950164 /nfs/dbraw/zinc/95/01/64/1348950164.db2.gz CGGUJLXTSSKYFI-LLVKDONJSA-N -1 1 348.476 2.259 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589214158 1348970798 /nfs/dbraw/zinc/97/07/98/1348970798.db2.gz XTVSIUHUWAMHSK-MWLCHTKSSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589214158 1348970802 /nfs/dbraw/zinc/97/08/02/1348970802.db2.gz XTVSIUHUWAMHSK-MWLCHTKSSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)(O)C1CCC(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001589327433 1348983737 /nfs/dbraw/zinc/98/37/37/1348983737.db2.gz XDTPTLOGMYSXIU-UHFFFAOYSA-N -1 1 334.376 2.080 20 0 EEADMM CC(C)(O)C1CCC(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001589327433 1348983740 /nfs/dbraw/zinc/98/37/40/1348983740.db2.gz XDTPTLOGMYSXIU-UHFFFAOYSA-N -1 1 334.376 2.080 20 0 EEADMM CC(C)[C@@H](C)OC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589437691 1348991199 /nfs/dbraw/zinc/99/11/99/1348991199.db2.gz XBQDQPVXAPIBMB-SSDOTTSWSA-N -1 1 329.282 2.482 20 0 EEADMM CC(C)[C@H](CCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589442035 1348991349 /nfs/dbraw/zinc/99/13/49/1348991349.db2.gz PLCCTCWJQOCNCK-ZDUSSCGKSA-N -1 1 339.403 2.191 20 0 EEADMM CC(C)[C@@]1(CO)CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001589495329 1348996581 /nfs/dbraw/zinc/99/65/81/1348996581.db2.gz XAQXFSQTJPXTQH-ZDUSSCGKSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)[C@@]1(CO)CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001589495329 1348996583 /nfs/dbraw/zinc/99/65/83/1348996583.db2.gz XAQXFSQTJPXTQH-ZDUSSCGKSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589499979 1348997090 /nfs/dbraw/zinc/99/70/90/1348997090.db2.gz VJKWINZRVLTOPJ-BXUZGUMPSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589499979 1348997093 /nfs/dbraw/zinc/99/70/93/1348997093.db2.gz VJKWINZRVLTOPJ-BXUZGUMPSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@@H]1CCCCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589508292 1348997912 /nfs/dbraw/zinc/99/79/12/1348997912.db2.gz YMCCCUBNBWGEKS-JTQLQIEISA-N -1 1 341.462 2.127 20 0 EEADMM CC(C)O[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001589739649 1349027221 /nfs/dbraw/zinc/02/72/21/1349027221.db2.gz MUFQCXIWZDWWMP-QMMMGPOBSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)O[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001589739649 1349027224 /nfs/dbraw/zinc/02/72/24/1349027224.db2.gz MUFQCXIWZDWWMP-QMMMGPOBSA-N -1 1 328.829 2.370 20 0 EEADMM CC(C)Oc1cc(CNC(=O)c2csc(-c3nn[n-]n3)c2)ccn1 ZINC001589750517 1349028431 /nfs/dbraw/zinc/02/84/31/1349028431.db2.gz GPYSMDZVHOIIEZ-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)n1ncc2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)cnc21 ZINC001589785134 1349041893 /nfs/dbraw/zinc/04/18/93/1349041893.db2.gz NFHMHAHCYIZQQD-UHFFFAOYSA-N -1 1 338.331 2.038 20 0 EEADMM CC(C)n1ncc2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)cnc21 ZINC001589785134 1349041899 /nfs/dbraw/zinc/04/18/99/1349041899.db2.gz NFHMHAHCYIZQQD-UHFFFAOYSA-N -1 1 338.331 2.038 20 0 EEADMM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1cccnc1-c1nnn[n-]1 ZINC001589812274 1349049711 /nfs/dbraw/zinc/04/97/11/1349049711.db2.gz MOFSJLXYQLUVBT-LLVKDONJSA-N -1 1 347.423 2.367 20 0 EEADMM C[C@H](CCCNC(=O)OC(C)(C)C)Nc1cccnc1-c1nn[n-]n1 ZINC001589812274 1349049715 /nfs/dbraw/zinc/04/97/15/1349049715.db2.gz MOFSJLXYQLUVBT-LLVKDONJSA-N -1 1 347.423 2.367 20 0 EEADMM C[C@@H](N(C)Cn1cc2c(c(-c3nnn[n-]3)c1=O)CCCC2)C(C)(C)C ZINC001589912829 1349061492 /nfs/dbraw/zinc/06/14/92/1349061492.db2.gz LFHBOPBUNMFEEG-GFCCVEGCSA-N -1 1 344.463 2.231 20 0 EEADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1ccc(F)cc1 ZINC001590015558 1349109815 /nfs/dbraw/zinc/10/98/15/1349109815.db2.gz IYVIWJWQPDFLEB-QMMMGPOBSA-N -1 1 346.343 2.496 20 0 EEADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590076427 1349141027 /nfs/dbraw/zinc/14/10/27/1349141027.db2.gz RJNQOZRPDYIUHN-SNVBAGLBSA-N -1 1 340.309 2.065 20 0 EEADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590076427 1349141029 /nfs/dbraw/zinc/14/10/29/1349141029.db2.gz RJNQOZRPDYIUHN-SNVBAGLBSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H](C(=O)OCC[C@H]1C[C@H](C)C[C@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190534 1349191775 /nfs/dbraw/zinc/19/17/75/1349191775.db2.gz ZYORMVVWJSUYBC-QNWHQSFQSA-N -1 1 347.423 2.025 20 0 EEADMM CCC(=O)Nc1c(-c2nnn[n-]2)c(SC)nn1-c1ccccc1 ZINC001590365084 1349285277 /nfs/dbraw/zinc/28/52/77/1349285277.db2.gz KQPUAUUHVWDMES-UHFFFAOYSA-N -1 1 329.389 2.123 20 0 EEADMM CCC(=O)Nc1c(-c2nn[n-]n2)c(SC)nn1-c1ccccc1 ZINC001590365084 1349285285 /nfs/dbraw/zinc/28/52/85/1349285285.db2.gz KQPUAUUHVWDMES-UHFFFAOYSA-N -1 1 329.389 2.123 20 0 EEADMM CC/C(C)=C(/C)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001590384739 1349295750 /nfs/dbraw/zinc/29/57/50/1349295750.db2.gz JTUFKOZQEYEZMV-KHPPLWFESA-N -1 1 338.375 2.132 20 0 EEADMM CC/C(C)=C/C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001590392692 1349301943 /nfs/dbraw/zinc/30/19/43/1349301943.db2.gz KSNQETWQJHTTSV-QPHGKBKNSA-N -1 1 347.448 2.072 20 0 EEADMM CC[C@H](C)CN(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590410288 1349310760 /nfs/dbraw/zinc/31/07/60/1349310760.db2.gz LJPRGJHUGKRAOP-LURJTMIESA-N -1 1 329.817 2.486 20 0 EEADMM CCC(CC)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)SC ZINC001590428340 1349320925 /nfs/dbraw/zinc/32/09/25/1349320925.db2.gz VYYAZRITOWRNCS-UHFFFAOYSA-N -1 1 335.437 2.305 20 0 EEADMM CCC(CC)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)SC ZINC001590428340 1349320935 /nfs/dbraw/zinc/32/09/35/1349320935.db2.gz VYYAZRITOWRNCS-UHFFFAOYSA-N -1 1 335.437 2.305 20 0 EEADMM CC[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC001590471688 1349346035 /nfs/dbraw/zinc/34/60/35/1349346035.db2.gz LRBITQAEAOXERO-YPMHNXCESA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC001590471688 1349346045 /nfs/dbraw/zinc/34/60/45/1349346045.db2.gz LRBITQAEAOXERO-YPMHNXCESA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590473824 1349348064 /nfs/dbraw/zinc/34/80/64/1349348064.db2.gz SINPMNWUEYUHPI-NSHDSACASA-N -1 1 344.400 2.257 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590473824 1349348070 /nfs/dbraw/zinc/34/80/70/1349348070.db2.gz SINPMNWUEYUHPI-NSHDSACASA-N -1 1 344.400 2.257 20 0 EEADMM CCOC(CN(CC)c1ccc(Cl)c(-c2nnn[n-]2)n1)OCC ZINC001590785584 1349398443 /nfs/dbraw/zinc/39/84/43/1349398443.db2.gz MIBFRNHGYGYIGA-UHFFFAOYSA-N -1 1 340.815 2.141 20 0 EEADMM CCOC(CN(CC)c1ccc(Cl)c(-c2nn[n-]n2)n1)OCC ZINC001590785584 1349398448 /nfs/dbraw/zinc/39/84/48/1349398448.db2.gz MIBFRNHGYGYIGA-UHFFFAOYSA-N -1 1 340.815 2.141 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001590790482 1349400856 /nfs/dbraw/zinc/40/08/56/1349400856.db2.gz BZFMTUXGLMVNRM-CHWSQXEVSA-N -1 1 343.435 2.174 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001590790482 1349400860 /nfs/dbraw/zinc/40/08/60/1349400860.db2.gz BZFMTUXGLMVNRM-CHWSQXEVSA-N -1 1 343.435 2.174 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001590828933 1349402701 /nfs/dbraw/zinc/40/27/01/1349402701.db2.gz QTVNHIFEEFGIEC-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001590828933 1349402705 /nfs/dbraw/zinc/40/27/05/1349402705.db2.gz QTVNHIFEEFGIEC-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCc1c(Nc2cc(-c3nnn[n-]3)nc(CC)n2)cnn1CC(C)C ZINC001590924900 1349414019 /nfs/dbraw/zinc/41/40/19/1349414019.db2.gz HBQANHASCHFOBJ-UHFFFAOYSA-N -1 1 341.423 2.378 20 0 EEADMM CCc1c(Nc2cc(-c3nn[n-]n3)nc(CC)n2)cnn1CC(C)C ZINC001590924900 1349414020 /nfs/dbraw/zinc/41/40/20/1349414020.db2.gz HBQANHASCHFOBJ-UHFFFAOYSA-N -1 1 341.423 2.378 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591336080 1349463293 /nfs/dbraw/zinc/46/32/93/1349463293.db2.gz NGCNHZFIAPGANH-ZUZCIYMTSA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591336080 1349463295 /nfs/dbraw/zinc/46/32/95/1349463295.db2.gz NGCNHZFIAPGANH-ZUZCIYMTSA-N -1 1 328.351 2.011 20 0 EEADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(Cl)cc1 ZINC001591383091 1349477218 /nfs/dbraw/zinc/47/72/18/1349477218.db2.gz ULBRVBJLNBYUGW-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(Cl)cc1 ZINC001591383091 1349477226 /nfs/dbraw/zinc/47/72/26/1349477226.db2.gz ULBRVBJLNBYUGW-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COCC[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccco1 ZINC001591400121 1349481430 /nfs/dbraw/zinc/48/14/30/1349481430.db2.gz MJQDYNPLMMUNJG-JTQLQIEISA-N -1 1 333.373 2.029 20 0 EEADMM COCC[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccco1 ZINC001591400121 1349481439 /nfs/dbraw/zinc/48/14/39/1349481439.db2.gz MJQDYNPLMMUNJG-JTQLQIEISA-N -1 1 333.373 2.029 20 0 EEADMM COCCc1cccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591447029 1349487394 /nfs/dbraw/zinc/48/73/94/1349487394.db2.gz DRGYMOIAANMXRA-UHFFFAOYSA-N -1 1 328.328 2.176 20 0 EEADMM COCCc1cccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591447029 1349487399 /nfs/dbraw/zinc/48/73/99/1349487399.db2.gz DRGYMOIAANMXRA-UHFFFAOYSA-N -1 1 328.328 2.176 20 0 EEADMM COc1ccc(-c2ccncc2)cc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001591556175 1349506348 /nfs/dbraw/zinc/50/63/48/1349506348.db2.gz RPJVQKLFEOAOOP-UHFFFAOYSA-N -1 1 348.370 2.273 20 0 EEADMM COc1ccc(-c2ccncc2)cc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001591556175 1349506351 /nfs/dbraw/zinc/50/63/51/1349506351.db2.gz RPJVQKLFEOAOOP-UHFFFAOYSA-N -1 1 348.370 2.273 20 0 EEADMM CSCC(C)(C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591693961 1349531039 /nfs/dbraw/zinc/53/10/39/1349531039.db2.gz BSLCKCZVLSZCLD-UHFFFAOYSA-N -1 1 327.360 2.016 20 0 EEADMM CSCC(C)(C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591693961 1349531046 /nfs/dbraw/zinc/53/10/46/1349531046.db2.gz BSLCKCZVLSZCLD-UHFFFAOYSA-N -1 1 327.360 2.016 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2[C@H](C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001591717860 1349533950 /nfs/dbraw/zinc/53/39/50/1349533950.db2.gz RMVJNYUAELNDLJ-RKDXNWHRSA-N -1 1 344.444 2.484 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2snc(C)c2-c2nn[n-]n2)c(C)o1 ZINC001591940588 1349564767 /nfs/dbraw/zinc/56/47/67/1349564767.db2.gz MSDGRDNGLNPWJF-AWEZNQCLSA-N -1 1 334.405 2.161 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2COC1CCCCC1 ZINC001592202662 1349606539 /nfs/dbraw/zinc/60/65/39/1349606539.db2.gz JBAYBVIHVQPLBM-UHFFFAOYSA-N -1 1 340.387 2.192 20 0 EEADMM Cc1nc(-c2nn[n-]n2)sc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC001592341240 1349623067 /nfs/dbraw/zinc/62/30/67/1349623067.db2.gz TXJQUVQNOQYDDR-GFCCVEGCSA-N -1 1 329.385 2.466 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC001592433192 1349631996 /nfs/dbraw/zinc/63/19/96/1349631996.db2.gz VUVSZXUTHDXSRC-UHFFFAOYSA-N -1 1 339.403 2.458 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC001592433192 1349631997 /nfs/dbraw/zinc/63/19/97/1349631997.db2.gz VUVSZXUTHDXSRC-UHFFFAOYSA-N -1 1 339.403 2.458 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(c2ccccc2F)C1 ZINC001592496643 1349637105 /nfs/dbraw/zinc/63/71/05/1349637105.db2.gz ILWUAJSCZPXJDP-UHFFFAOYSA-N -1 1 327.319 2.147 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(c2ccccc2F)C1 ZINC001592496643 1349637106 /nfs/dbraw/zinc/63/71/06/1349637106.db2.gz ILWUAJSCZPXJDP-UHFFFAOYSA-N -1 1 327.319 2.147 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)CC2CCCCC2)c1-c1nnn[n-]1 ZINC001592516601 1349644233 /nfs/dbraw/zinc/64/42/33/1349644233.db2.gz ZYFKSSARVBEEBN-JTQLQIEISA-N -1 1 332.408 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)CC2CCCCC2)c1-c1nn[n-]n1 ZINC001592516601 1349644234 /nfs/dbraw/zinc/64/42/34/1349644234.db2.gz ZYFKSSARVBEEBN-JTQLQIEISA-N -1 1 332.408 2.181 20 0 EEADMM Cc1onc(CC(=O)N(C)C[C@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592515208 1349644455 /nfs/dbraw/zinc/64/44/55/1349644455.db2.gz OVUYYAJMLOMNAO-NSHDSACASA-N -1 1 346.435 2.380 20 0 EEADMM Cc1onc(CC(=O)N(C)C[C@H](C)C2CCCCC2)c1-c1nn[n-]n1 ZINC001592515208 1349644456 /nfs/dbraw/zinc/64/44/56/1349644456.db2.gz OVUYYAJMLOMNAO-NSHDSACASA-N -1 1 346.435 2.380 20 0 EEADMM Clc1ccnc(Cl)c1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001592536054 1349651089 /nfs/dbraw/zinc/65/10/89/1349651089.db2.gz GQGXIYHPUKBBRY-UHFFFAOYSA-N -1 1 342.215 2.315 20 0 EEADMM Clc1ccnc(Cl)c1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001592536054 1349651090 /nfs/dbraw/zinc/65/10/90/1349651090.db2.gz GQGXIYHPUKBBRY-UHFFFAOYSA-N -1 1 342.215 2.315 20 0 EEADMM Clc1ccccc1OCCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001592536708 1349651346 /nfs/dbraw/zinc/65/13/46/1349651346.db2.gz TVLBKCUYJHBJFE-UHFFFAOYSA-N -1 1 329.751 2.048 20 0 EEADMM Clc1nsc(NCc2nc3c([nH]2)CCCC3)c1-c1nnn[n-]1 ZINC001592541915 1349653988 /nfs/dbraw/zinc/65/39/88/1349653988.db2.gz VHMDMLZAACVVKJ-UHFFFAOYSA-N -1 1 336.812 2.191 20 0 EEADMM Clc1nsc(NCc2nc3c([nH]2)CCCC3)c1-c1nn[n-]n1 ZINC001592541915 1349653991 /nfs/dbraw/zinc/65/39/91/1349653991.db2.gz VHMDMLZAACVVKJ-UHFFFAOYSA-N -1 1 336.812 2.191 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](C3CCCC3)C2)n1 ZINC001592559498 1349657550 /nfs/dbraw/zinc/65/75/50/1349657550.db2.gz SNGQNBKGZUHUOF-LBPRGKRZSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](C3CCCC3)C2)n1 ZINC001592559498 1349657553 /nfs/dbraw/zinc/65/75/53/1349657553.db2.gz SNGQNBKGZUHUOF-LBPRGKRZSA-N -1 1 344.423 2.034 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccnc(Cl)c1F ZINC001593136893 1349739950 /nfs/dbraw/zinc/73/99/50/1349739950.db2.gz IUGGLFCPDMRJTL-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1cccc(C(F)F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593144903 1349742282 /nfs/dbraw/zinc/74/22/82/1349742282.db2.gz RLDUUZAUTNPTSO-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(NCc1cccc(C(F)F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593144903 1349742288 /nfs/dbraw/zinc/74/22/88/1349742288.db2.gz RLDUUZAUTNPTSO-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593180774 1349745020 /nfs/dbraw/zinc/74/50/20/1349745020.db2.gz NELIGIOODJXGSA-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593180774 1349745021 /nfs/dbraw/zinc/74/50/21/1349745021.db2.gz NELIGIOODJXGSA-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(Cl)nc2ccccc21 ZINC001593261551 1349753974 /nfs/dbraw/zinc/75/39/74/1349753974.db2.gz WHRTZDQBOJWRFF-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC[C@@H](CF)C1 ZINC001593264126 1349754844 /nfs/dbraw/zinc/75/48/44/1349754844.db2.gz LTVFUMIQQLHCBB-LURJTMIESA-N -1 1 345.791 2.190 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CCC2(CCC2)CC1 ZINC001593335444 1349782105 /nfs/dbraw/zinc/78/21/05/1349782105.db2.gz OLNZLNSAJWOWIY-UHFFFAOYSA-N -1 1 332.795 2.321 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@]2(CCc3ccccc32)C1 ZINC001593341796 1349786038 /nfs/dbraw/zinc/78/60/38/1349786038.db2.gz YHUCRBTVFQSWSK-GOSISDBHSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@]2(CCc3ccccc32)C1 ZINC001593341796 1349786039 /nfs/dbraw/zinc/78/60/39/1349786039.db2.gz YHUCRBTVFQSWSK-GOSISDBHSA-N -1 1 335.367 2.190 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(CC(F)(F)F)C1CCCC1 ZINC001593358445 1349789785 /nfs/dbraw/zinc/78/97/85/1349789785.db2.gz HRTIEDCJYORFID-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(CC(F)(F)F)C1CCCC1 ZINC001593358445 1349789789 /nfs/dbraw/zinc/78/97/89/1349789789.db2.gz HRTIEDCJYORFID-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001593368341 1349791472 /nfs/dbraw/zinc/79/14/72/1349791472.db2.gz YRYHHUKZLSQTBA-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001593368341 1349791478 /nfs/dbraw/zinc/79/14/78/1349791478.db2.gz YRYHHUKZLSQTBA-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2nn[nH]n2)s1 ZINC001593445865 1349800802 /nfs/dbraw/zinc/80/08/02/1349800802.db2.gz OHDGRSIBIKWQJM-UHFFFAOYSA-N -1 1 341.805 2.382 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1C[C@H]1c1ccccc1)CCC2 ZINC001593492476 1349818513 /nfs/dbraw/zinc/81/85/13/1349818513.db2.gz QTLOMNPEAQJVGR-HOCLYGCPSA-N -1 1 333.395 2.321 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1CCCc1cccc2ccccc21 ZINC001593494718 1349819713 /nfs/dbraw/zinc/81/97/13/1349819713.db2.gz QAYSMAPNBXEICF-UHFFFAOYSA-N -1 1 332.367 2.209 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCc2cnoc2)c2ccc(Cl)cc12 ZINC001593494654 1349820093 /nfs/dbraw/zinc/82/00/93/1349820093.db2.gz NJWIRGQXGBUHQW-UHFFFAOYSA-N -1 1 342.746 2.066 20 0 EEADMM c1c(N[C@H](C2CC2)[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543558 1349839053 /nfs/dbraw/zinc/83/90/53/1349839053.db2.gz SZMHZGXCPWNBCW-IUODEOHRSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@H](C2CC2)[C@@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543558 1349839055 /nfs/dbraw/zinc/83/90/55/1349839055.db2.gz SZMHZGXCPWNBCW-IUODEOHRSA-N -1 1 341.419 2.151 20 0 EEADMM c1ccc(-c2nnn(Cc3ccc4c(c3)COC4)c2-c2nn[n-]n2)cc1 ZINC001593567781 1349853970 /nfs/dbraw/zinc/85/39/70/1349853970.db2.gz GMFCCQPUZHCFKQ-UHFFFAOYSA-N -1 1 345.366 2.204 20 0 EEADMM c1ccc(C[C@H](Nc2ncncc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC001593572023 1349856897 /nfs/dbraw/zinc/85/68/97/1349856897.db2.gz MFERVKSZVOXLRV-INIZCTEOSA-N -1 1 344.382 2.448 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)c(=O)[n-]1 ZINC001596895137 1349913640 /nfs/dbraw/zinc/91/36/40/1349913640.db2.gz WCSNSKLOCUPVKQ-UHFFFAOYSA-N -1 1 345.359 2.481 20 0 EEADMM Cc1cc(CCC(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001600188581 1349988739 /nfs/dbraw/zinc/98/87/39/1349988739.db2.gz GABZUXFEHSAAEE-LLVKDONJSA-N -1 1 348.428 2.212 20 0 EEADMM Cc1ccc(-c2nn(C)cc2CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)o1 ZINC001600319094 1350019524 /nfs/dbraw/zinc/01/95/24/1350019524.db2.gz SAKUQRJZQZEXOL-UHFFFAOYSA-N -1 1 341.371 2.009 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c2ncccc12 ZINC001600333959 1350022827 /nfs/dbraw/zinc/02/28/27/1350022827.db2.gz QMJCCSJNEBPUQA-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC001600347269 1350025451 /nfs/dbraw/zinc/02/54/51/1350025451.db2.gz HVZVHOHTOVBVRY-OQPBUACISA-N -1 1 329.356 2.427 20 0 EEADMM Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001600388038 1350037218 /nfs/dbraw/zinc/03/72/18/1350037218.db2.gz WYGLZHZXXHFRKO-HNNXBMFYSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1ccc(CN(CC(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)s1 ZINC001600410021 1350043566 /nfs/dbraw/zinc/04/35/66/1350043566.db2.gz BWSZUVFSDQDIFJ-HNNXBMFYSA-N -1 1 326.462 2.492 20 0 EEADMM Cc1ccc(N2CCC[C@H](N[C@H](C[C@H]3CCCO3)C(=O)[O-])C2=O)cc1 ZINC001600434285 1350050422 /nfs/dbraw/zinc/05/04/22/1350050422.db2.gz ANFLTSIPGBCZQY-IXDOHACOSA-N -1 1 346.427 2.102 20 0 EEADMM Cc1ccc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cc2c1 ZINC001600488815 1350063813 /nfs/dbraw/zinc/06/38/13/1350063813.db2.gz CDCRIUPPTCTGND-CYBMUJFWSA-N -1 1 329.400 2.097 20 0 EEADMM Cc1ccc2nc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)ccc2c1 ZINC001600501994 1350067520 /nfs/dbraw/zinc/06/75/20/1350067520.db2.gz SCTVCWLUNGJTCD-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1nc2c(nccc2C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)[nH]1 ZINC001600720562 1350120783 /nfs/dbraw/zinc/12/07/83/1350120783.db2.gz JPYUYDONJYURCZ-UHFFFAOYSA-N -1 1 336.311 2.093 20 0 EEADMM Cc1nc([C@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001600792663 1350138501 /nfs/dbraw/zinc/13/85/01/1350138501.db2.gz QKRLQTVDODQOPW-GWCFXTLKSA-N -1 1 345.403 2.325 20 0 EEADMM Cn1ccc2c1cccc2NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600977909 1350181316 /nfs/dbraw/zinc/18/13/16/1350181316.db2.gz XDWTYIWKRAVXKS-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN[C@@H](CCO)c1cccs1 ZINC001601324078 1350257307 /nfs/dbraw/zinc/25/73/07/1350257307.db2.gz QQIMZRUJUZRATN-VIFPVBQESA-N -1 1 340.426 2.160 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001601482986 1350293481 /nfs/dbraw/zinc/29/34/81/1350293481.db2.gz RWLYKXIUPFLIID-CYBMUJFWSA-N -1 1 343.383 2.015 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)Nc2cc(Cl)ccc2O)CCCC1 ZINC001601716288 1350346364 /nfs/dbraw/zinc/34/63/64/1350346364.db2.gz QXNAJUPRSRYKBF-UHFFFAOYSA-N -1 1 333.793 2.432 20 0 EEADMM O=C([O-])C12CCC(CC1)N2CCS(=O)(=O)c1ccc(Cl)cc1 ZINC001601732990 1350351029 /nfs/dbraw/zinc/35/10/29/1350351029.db2.gz BEGNGFJUZYANTE-UHFFFAOYSA-N -1 1 343.832 2.195 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1=CCCCC1 ZINC001601776398 1350362813 /nfs/dbraw/zinc/36/28/13/1350362813.db2.gz ABQLEGRCBWRIOD-YYIAUSFCSA-N -1 1 332.444 2.273 20 0 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RGCTZDFJEUXEDE-MRXNPFEDSA-N -1 1 340.387 2.378 20 0 EEADMM COc1cccc([C@@H](CNc2cc(C)nc(-c3nn[n-]n3)c2)OC)c1 ZINC001605315416 1351133818 /nfs/dbraw/zinc/13/38/18/1351133818.db2.gz RGCTZDFJEUXEDE-MRXNPFEDSA-N -1 1 340.387 2.378 20 0 EEADMM CSCc1cc(F)ccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001605375455 1351147535 /nfs/dbraw/zinc/14/75/35/1351147535.db2.gz KBBAQYNPZHOPLZ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM CSCc1cc(F)ccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001605375455 1351147539 /nfs/dbraw/zinc/14/75/39/1351147539.db2.gz KBBAQYNPZHOPLZ-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM CCCc1nc(C)cc(OCC(=O)N(C)CC(F)(F)F)c1C(=O)[O-] ZINC001605379317 1351149123 /nfs/dbraw/zinc/14/91/23/1351149123.db2.gz ROYJCXSDUWCBHZ-UHFFFAOYSA-N -1 1 348.321 2.440 20 0 EEADMM CSc1cncc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001605392844 1351152442 /nfs/dbraw/zinc/15/24/42/1351152442.db2.gz QTSPIUBOTSIHLX-UHFFFAOYSA-N -1 1 347.791 2.284 20 0 EEADMM Cc1c2cc[nH]c2ncc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001605500429 1351172344 /nfs/dbraw/zinc/17/23/44/1351172344.db2.gz RCTXLULEYOIWSM-UHFFFAOYSA-N -1 1 325.357 2.317 20 0 EEADMM Cc1c2cc[nH]c2ncc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001605500429 1351172347 /nfs/dbraw/zinc/17/23/47/1351172347.db2.gz RCTXLULEYOIWSM-UHFFFAOYSA-N -1 1 325.357 2.317 20 0 EEADMM CCOC(=O)c1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)[nH]1 ZINC001605571493 1351191702 /nfs/dbraw/zinc/19/17/02/1351191702.db2.gz QDCFTYVTVXRFFZ-KRWDZBQOSA-N -1 1 331.372 2.066 20 0 EEADMM CCOc1cc(-c2nc(C3(N)CCCC3)no2)ccc1OCC(=O)[O-] ZINC001605653226 1351211013 /nfs/dbraw/zinc/21/10/13/1351211013.db2.gz UIWDFOXQIQFLAH-UHFFFAOYSA-N -1 1 347.371 2.327 20 0 EEADMM Cc1cc(NC[C@@H]2CCCN2CC(F)(F)F)nc(-c2nnn[n-]2)c1 ZINC001605729316 1351218995 /nfs/dbraw/zinc/21/89/95/1351218995.db2.gz ADTSXOQEWUAIDR-JTQLQIEISA-N -1 1 341.341 2.009 20 0 EEADMM Cc1cc(NC[C@@H]2CCCN2CC(F)(F)F)nc(-c2nn[n-]n2)c1 ZINC001605729316 1351218997 /nfs/dbraw/zinc/21/89/97/1351218997.db2.gz ADTSXOQEWUAIDR-JTQLQIEISA-N -1 1 341.341 2.009 20 0 EEADMM Cc1ccc2[nH]cc(CCNc3cc(-c4nnn[n-]4)nc(C)n3)c2c1 ZINC001605887916 1351246943 /nfs/dbraw/zinc/24/69/43/1351246943.db2.gz XFLXINRQZVXOIK-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1ccc2[nH]cc(CCNc3cc(-c4nn[n-]n4)nc(C)n3)c2c1 ZINC001605887916 1351246944 /nfs/dbraw/zinc/24/69/44/1351246944.db2.gz XFLXINRQZVXOIK-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1c(Nc2cc(-c3nnn[n-]3)ncn2)cnn1-c1cccc(C)c1 ZINC001605899921 1351250923 /nfs/dbraw/zinc/25/09/23/1351250923.db2.gz OXIGQTIWLINYHC-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1c(Nc2cc(-c3nn[n-]n3)ncn2)cnn1-c1cccc(C)c1 ZINC001605899921 1351250927 /nfs/dbraw/zinc/25/09/27/1351250927.db2.gz OXIGQTIWLINYHC-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606104629 1351271865 /nfs/dbraw/zinc/27/18/65/1351271865.db2.gz BLEOJBSXCUDVPN-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606104629 1351271868 /nfs/dbraw/zinc/27/18/68/1351271868.db2.gz BLEOJBSXCUDVPN-SECBINFHSA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc(C(C)C)c2)c1-c1nnn[n-]1 ZINC001606112097 1351273057 /nfs/dbraw/zinc/27/30/57/1351273057.db2.gz AEOWTVLILPGBSF-UHFFFAOYSA-N -1 1 325.376 2.284 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC001606112097 1351273060 /nfs/dbraw/zinc/27/30/60/1351273060.db2.gz AEOWTVLILPGBSF-UHFFFAOYSA-N -1 1 325.376 2.284 20 0 EEADMM Cc1nsc(NCCCNC(=O)CCC2(C)CC2)c1-c1nn[n-]n1 ZINC001606159863 1351279449 /nfs/dbraw/zinc/27/94/49/1351279449.db2.gz KKWSBMILIFSJFB-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1cccnc1-c1nnn[n-]1 ZINC001606482416 1351308220 /nfs/dbraw/zinc/30/82/20/1351308220.db2.gz SIJOZEWXIHXNOL-SREVYHEPSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1cccnc1-c1nn[n-]n1 ZINC001606482416 1351308221 /nfs/dbraw/zinc/30/82/21/1351308221.db2.gz SIJOZEWXIHXNOL-SREVYHEPSA-N -1 1 325.303 2.157 20 0 EEADMM O=C(O[C@H]1CCc2cccnc21)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606963633 1351385657 /nfs/dbraw/zinc/38/56/57/1351385657.db2.gz FDROZUNWAVEBSA-NSHDSACASA-N -1 1 342.746 2.154 20 0 EEADMM O=C(Oc1c(F)c(F)cc(F)c1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606987577 1351393023 /nfs/dbraw/zinc/39/30/23/1351393023.db2.gz LSPPIKGXHAYINO-UHFFFAOYSA-N -1 1 339.208 2.037 20 0 EEADMM O=C(Oc1c(F)c(F)cc(F)c1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606987577 1351393026 /nfs/dbraw/zinc/39/30/26/1351393026.db2.gz LSPPIKGXHAYINO-UHFFFAOYSA-N -1 1 339.208 2.037 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@H](C(F)(F)F)C1 ZINC001607016725 1351398069 /nfs/dbraw/zinc/39/80/69/1351398069.db2.gz ALBIHWFUKOYKEH-QMMMGPOBSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@H](C(F)(F)F)C1 ZINC001607016725 1351398072 /nfs/dbraw/zinc/39/80/72/1351398072.db2.gz ALBIHWFUKOYKEH-QMMMGPOBSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001607017460 1351398293 /nfs/dbraw/zinc/39/82/93/1351398293.db2.gz ZIGBWOPUXJQQTP-TUAOUCFPSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001607017460 1351398295 /nfs/dbraw/zinc/39/82/95/1351398295.db2.gz ZIGBWOPUXJQQTP-TUAOUCFPSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001607017038 1351398589 /nfs/dbraw/zinc/39/85/89/1351398589.db2.gz KTHMGINLMDCXEC-WDEREUQCSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001607017038 1351398593 /nfs/dbraw/zinc/39/85/93/1351398593.db2.gz KTHMGINLMDCXEC-WDEREUQCSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001607033222 1351401574 /nfs/dbraw/zinc/40/15/74/1351401574.db2.gz STHLSQKXQUQAML-OAHLLOKOSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001607033222 1351401577 /nfs/dbraw/zinc/40/15/77/1351401577.db2.gz STHLSQKXQUQAML-OAHLLOKOSA-N -1 1 339.355 2.064 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCCC[C@H]1c1ccccc1 ZINC001607091208 1351414164 /nfs/dbraw/zinc/41/41/64/1351414164.db2.gz BAWKUZKPCGDVHL-INIZCTEOSA-N -1 1 336.399 2.213 20 0 EEADMM c1c2c(oc1-c1ccccc1)CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001607124474 1351428715 /nfs/dbraw/zinc/42/87/15/1351428715.db2.gz MWQMYGLDZIIELN-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1ccc(C2(CNc3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1 ZINC001607125987 1351429690 /nfs/dbraw/zinc/42/96/90/1351429690.db2.gz DUVPHFDHTYFONF-UHFFFAOYSA-N -1 1 344.382 2.349 20 0 EEADMM c1ccc(C2(CNc3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1 ZINC001607125987 1351429691 /nfs/dbraw/zinc/42/96/91/1351429691.db2.gz DUVPHFDHTYFONF-UHFFFAOYSA-N -1 1 344.382 2.349 20 0 EEADMM c1ccc(CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C2CC2)nc1 ZINC001607128387 1351431501 /nfs/dbraw/zinc/43/15/01/1351431501.db2.gz MLQCSKCEHDTTKJ-UHFFFAOYSA-N -1 1 334.387 2.098 20 0 EEADMM c1ccc(CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C2CC2)nc1 ZINC001607128387 1351431505 /nfs/dbraw/zinc/43/15/05/1351431505.db2.gz MLQCSKCEHDTTKJ-UHFFFAOYSA-N -1 1 334.387 2.098 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1cncc(-c2nnn[n-]2)n1 ZINC001607131633 1351433119 /nfs/dbraw/zinc/43/31/19/1351433119.db2.gz LFHNDYXARBGWNR-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1cncc(-c2nn[n-]n2)n1 ZINC001607131633 1351433123 /nfs/dbraw/zinc/43/31/23/1351433123.db2.gz LFHNDYXARBGWNR-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001607165746 1351441789 /nfs/dbraw/zinc/44/17/89/1351441789.db2.gz QZJPYAAEKQPYCJ-GHMZBOCLSA-N -1 1 340.807 2.391 20 0 EEADMM COc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1C1CC1 ZINC001607203848 1351448724 /nfs/dbraw/zinc/44/87/24/1351448724.db2.gz JAVBHRPQZSJEBO-CYBMUJFWSA-N -1 1 346.427 2.194 20 0 EEADMM COc1ccc2c(c1)C(=O)N(CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C2 ZINC001607294110 1351466501 /nfs/dbraw/zinc/46/65/01/1351466501.db2.gz CYXPTTPPGLJOSU-CQSZACIVSA-N -1 1 346.427 2.431 20 0 EEADMM COc1cccc([C@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001607309825 1351469852 /nfs/dbraw/zinc/46/98/52/1351469852.db2.gz QSTLTUZSYDDQHO-NSHDSACASA-N -1 1 329.356 2.078 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC001607337832 1351477517 /nfs/dbraw/zinc/47/75/17/1351477517.db2.gz GFGPGIPPLQYZAC-GJZGRUSLSA-N -1 1 348.443 2.449 20 0 EEADMM CSCc1nnc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)[nH]1 ZINC001607400492 1351488197 /nfs/dbraw/zinc/48/81/97/1351488197.db2.gz HFRHLNMTMPXGNA-GFCCVEGCSA-N -1 1 326.809 2.237 20 0 EEADMM CSCc1n[nH]c(CN[C@@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001607400492 1351488196 /nfs/dbraw/zinc/48/81/96/1351488196.db2.gz HFRHLNMTMPXGNA-GFCCVEGCSA-N -1 1 326.809 2.237 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001607602148 1351522525 /nfs/dbraw/zinc/52/25/25/1351522525.db2.gz NOOCQWNVMBHYGX-ZDUSSCGKSA-N -1 1 340.339 2.266 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001607602966 1351522854 /nfs/dbraw/zinc/52/28/54/1351522854.db2.gz LBBXBHSXJBQRHS-UHFFFAOYSA-N -1 1 344.302 2.140 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001607602966 1351522855 /nfs/dbraw/zinc/52/28/55/1351522855.db2.gz LBBXBHSXJBQRHS-UHFFFAOYSA-N -1 1 344.302 2.140 20 0 EEADMM Cc1cc(C)cc(OC[C@@H](O)CN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001607628440 1351528630 /nfs/dbraw/zinc/52/86/30/1351528630.db2.gz QFGQDZVMOCGHEA-KRWDZBQOSA-N -1 1 344.411 2.268 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC001607739987 1351549416 /nfs/dbraw/zinc/54/94/16/1351549416.db2.gz KHAFEJGRLUPFMT-CYBMUJFWSA-N -1 1 333.432 2.046 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C)C(C)(C)C1 ZINC001607739987 1351549419 /nfs/dbraw/zinc/54/94/19/1351549419.db2.gz KHAFEJGRLUPFMT-CYBMUJFWSA-N -1 1 333.432 2.046 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c(=O)c2c1 ZINC001607833383 1351567257 /nfs/dbraw/zinc/56/72/57/1351567257.db2.gz FDPQLZAMSLBESO-CQSZACIVSA-N -1 1 330.384 2.456 20 0 EEADMM Cc1ccccc1C(F)(F)CNS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001607878825 1351577141 /nfs/dbraw/zinc/57/71/41/1351577141.db2.gz NDHVPUGTZZTGNE-UHFFFAOYSA-N -1 1 347.383 2.261 20 0 EEADMM Cn1nccc1[C@@H](O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001608164735 1351638958 /nfs/dbraw/zinc/63/89/58/1351638958.db2.gz VVUHZJSARFTKHD-KRWDZBQOSA-N -1 1 347.390 2.203 20 0 EEADMM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cnncc1O ZINC001608462292 1351699824 /nfs/dbraw/zinc/69/98/24/1351699824.db2.gz DBCIPRQVZRIVTM-UHFFFAOYSA-N -1 1 329.337 2.025 20 0 EEADMM CSc1ncc(C(=O)Nc2nccn2Cc2ccccc2)c(=O)[n-]1 ZINC001631719355 1352588213 /nfs/dbraw/zinc/58/82/13/1352588213.db2.gz AEFDUEKIFIBRPJ-UHFFFAOYSA-N -1 1 341.396 2.401 20 0 EEADMM Cc1ccc([C@H](C)C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)o1 ZINC001633815145 1352618190 /nfs/dbraw/zinc/61/81/90/1352618190.db2.gz RKTKEQFGDRCNCV-NSHDSACASA-N -1 1 327.344 2.422 20 0 EEADMM COc1ccc2sc(C(=O)NCc3nc([O-])cc(=O)[nH]3)c(C)c2c1 ZINC001641493193 1352722118 /nfs/dbraw/zinc/72/21/18/1352722118.db2.gz GRWNCCJVCXGEFL-UHFFFAOYSA-N -1 1 345.380 2.350 20 0 EEADMM CC[C@H](C)C(=O)Nc1cccc(CNCc2cn(C)nc2C(=O)[O-])c1 ZINC001646226513 1352822668 /nfs/dbraw/zinc/82/26/68/1352822668.db2.gz PCRPZVCXOAEESZ-LBPRGKRZSA-N -1 1 344.415 2.393 20 0 EEADMM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2o1 ZINC000062179823 1352868393 /nfs/dbraw/zinc/86/83/93/1352868393.db2.gz UMWSSNDEWLTRSZ-UHFFFAOYSA-N -1 1 330.365 2.411 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)[nH]c2c1 ZINC001646722493 1352945498 /nfs/dbraw/zinc/94/54/98/1352945498.db2.gz NOEBZMIFAKHNFS-RYUDHWBXSA-N -1 1 330.388 2.266 20 0 EEADMM COCc1csc(CN[C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1 ZINC001650013314 1353687759 /nfs/dbraw/zinc/68/77/59/1353687759.db2.gz BAWGWCXUDSDSNI-JKSUJKDBSA-N -1 1 335.425 2.041 20 0 EEADMM CC(C)[C@@H](C)c1nnc(N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)n1C ZINC001650263111 1353805579 /nfs/dbraw/zinc/80/55/79/1353805579.db2.gz LQJVQAAFZWHXPU-YGRLFVJLSA-N -1 1 347.385 2.222 20 0 EEADMM CCCO[C@@H](C(=O)N1CC[C@H](c2nn[n-]n2)C1)c1ccc(F)cc1C ZINC001650582439 1354004349 /nfs/dbraw/zinc/00/43/49/1354004349.db2.gz MHRMHRUGWJWDQV-SWLSCSKDSA-N -1 1 347.394 2.131 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)sn1 ZINC001653584529 1354127351 /nfs/dbraw/zinc/12/73/51/1354127351.db2.gz PFUAJSZPOUSTBJ-UHFFFAOYSA-N -1 1 334.426 2.116 20 0 EEADMM CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000794617893 1367722629 /nfs/dbraw/zinc/72/26/29/1367722629.db2.gz ARWNZFOEHGHRCY-KOLCDFICSA-N -1 1 336.779 2.074 20 0 EEADMM CCOc1cc(C(=O)[N-]c2c(C)noc2C(=O)OC)c(Cl)cn1 ZINC001185490138 1368157988 /nfs/dbraw/zinc/15/79/88/1368157988.db2.gz CWEXSBHBYACABO-UHFFFAOYSA-N -1 1 339.735 2.469 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1CCNC2=O ZINC001185836526 1368171939 /nfs/dbraw/zinc/17/19/39/1368171939.db2.gz KJVHNZIRSWXPLW-UHFFFAOYSA-N -1 1 334.372 2.221 20 0 EEADMM O=C(NC1CCN(c2ncccc2Cl)CC1)c1ccncc1[O-] ZINC001188639503 1368309908 /nfs/dbraw/zinc/30/99/08/1368309908.db2.gz ZHSJBXNGUCYDPK-UHFFFAOYSA-N -1 1 332.791 2.234 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2ccnc(NC(C)=O)c2)c(OC)c1 ZINC001190110866 1368394559 /nfs/dbraw/zinc/39/45/59/1368394559.db2.gz ZPHAGJIPEXTPMW-UHFFFAOYSA-N -1 1 331.328 2.015 20 0 EEADMM COc1cc2nc[nH]c(=O)c2cc1NC(=O)c1nc(C)ccc1[O-] ZINC001195331215 1368520892 /nfs/dbraw/zinc/52/08/92/1368520892.db2.gz VEXKIEXZOFXHAW-UHFFFAOYSA-N -1 1 326.312 2.005 20 0 EEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2Br)C1 ZINC001201047673 1368777793 /nfs/dbraw/zinc/77/77/93/1368777793.db2.gz FOKFGKFSYRZOEU-ZKCHVHJHSA-N -1 1 338.198 2.044 20 0 EEADMM CCn1ccc([N-]S(=O)(=O)c2sc(Cl)nc2C)cc1=O ZINC001201767440 1368840819 /nfs/dbraw/zinc/84/08/19/1368840819.db2.gz ZHNOXMCLTDHRFX-UHFFFAOYSA-N -1 1 333.822 2.087 20 0 EEADMM CCC1(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])CCC1 ZINC001488785349 1369068361 /nfs/dbraw/zinc/06/83/61/1369068361.db2.gz WPATVUZOMKAZHX-CHWSQXEVSA-N -1 1 333.432 2.381 20 0 EEADMM Cc1cc(C(=O)N2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)n[nH]1 ZINC000864224227 1369581047 /nfs/dbraw/zinc/58/10/47/1369581047.db2.gz UHERVAFATHWCMS-UHFFFAOYSA-N -1 1 334.401 2.201 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3cnn(-c4ccc(Cl)cc4)n3)C[C@@H]21 ZINC000902554943 1369948281 /nfs/dbraw/zinc/94/82/81/1369948281.db2.gz SDCAUNNOGDOZIG-QLFBSQMISA-N -1 1 332.791 2.073 20 0 EEADMM CC(C)=C(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001072534578 1370731755 /nfs/dbraw/zinc/73/17/55/1370731755.db2.gz LVFYPDHAHFRTNV-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccco1 ZINC000780479140 1371161889 /nfs/dbraw/zinc/16/18/89/1371161889.db2.gz GXHFKWBNIXQRBL-KBPBESRZSA-N -1 1 337.420 2.311 20 0 EEADMM CC[C@](C)([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OC ZINC001116462504 1371727415 /nfs/dbraw/zinc/72/74/15/1371727415.db2.gz XUBSZDDLMCTYJN-NSHDSACASA-N -1 1 341.216 2.008 20 0 EEADMM COCCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000829735094 1372291270 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COC(=O)C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccncc1 ZINC001363462285 1373521403 /nfs/dbraw/zinc/52/14/03/1373521403.db2.gz BKBMOPMUEGVTCX-CQSZACIVSA-N -1 1 348.786 2.404 20 0 EEADMM CCOc1cc(C(=O)N[C@H](C(N)=O)[C@@H](C)CC)cc(Cl)c1[O-] ZINC001363606829 1373538002 /nfs/dbraw/zinc/53/80/02/1373538002.db2.gz SXWYXHBZZUTROM-UFBFGSQYSA-N -1 1 328.796 2.074 20 0 EEADMM CC[C@H](CNC(=O)c1ccccc1C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001367109300 1374103259 /nfs/dbraw/zinc/10/32/59/1374103259.db2.gz XEBSDYCJTFNFLM-GFCCVEGCSA-N -1 1 345.447 2.106 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001369832320 1374672421 /nfs/dbraw/zinc/67/24/21/1374672421.db2.gz MUCPYPUPUJZROE-ZIAGYGMSSA-N -1 1 335.448 2.436 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1=CCCCCC1 ZINC001370474448 1374954489 /nfs/dbraw/zinc/95/44/89/1374954489.db2.gz SPXAPJCVXJQOJD-CYBMUJFWSA-N -1 1 331.416 2.254 20 0 EEADMM CCC[C@H](CC)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001371437991 1375447521 /nfs/dbraw/zinc/44/75/21/1375447521.db2.gz VBZCVFLOZGFMDI-SOUVJXGZSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)CCC1CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001372081700 1375758007 /nfs/dbraw/zinc/75/80/07/1375758007.db2.gz PTFBNQSCLOKUNF-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H](NC(=O)CC1CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001372697303 1376149049 /nfs/dbraw/zinc/14/90/49/1376149049.db2.gz LMVFXJHQDJCPNZ-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001374720994 1377017785 /nfs/dbraw/zinc/01/77/85/1377017785.db2.gz VYJWJYSSCAONPH-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(C)sc1C)NC(=O)c1ncccc1[O-] ZINC001375138689 1377409954 /nfs/dbraw/zinc/40/99/54/1377409954.db2.gz UUDDQOMLXFRRGW-LBPRGKRZSA-N -1 1 347.440 2.404 20 0 EEADMM CCCC(CCC)C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001378503074 1380043776 /nfs/dbraw/zinc/04/37/76/1380043776.db2.gz AXDBEQCGGWQQFK-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC(CCC)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001378503076 1380043861 /nfs/dbraw/zinc/04/38/61/1380043861.db2.gz AXDBEQCGGWQQFK-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccc(F)c1C ZINC001381748939 1381765875 /nfs/dbraw/zinc/76/58/75/1381765875.db2.gz JFEXWRJMZCGZKR-LBPRGKRZSA-N -1 1 349.410 2.036 20 0 EEADMM C[C@H](CN(C)C(=O)C1CCCCCC1)NC(=O)c1ncccc1[O-] ZINC001383672994 1382631566 /nfs/dbraw/zinc/63/15/66/1382631566.db2.gz PCTXFNHKGZLXFC-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CC[C@H](C)C1 ZINC001387182267 1386555752 /nfs/dbraw/zinc/55/57/52/1386555752.db2.gz UHNJFJSKVOUUSB-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccsc1 ZINC001388053648 1387159858 /nfs/dbraw/zinc/15/98/58/1387159858.db2.gz CFVAOJYUEYLKNW-YPMHNXCESA-N -1 1 347.440 2.277 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001395061730 1390780180 /nfs/dbraw/zinc/78/01/80/1390780180.db2.gz BVFXPQOWCRCCJI-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CCC(CC)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001396124397 1390908138 /nfs/dbraw/zinc/90/81/38/1390908138.db2.gz BDEDBZLGLPKKLG-AWEZNQCLSA-N -1 1 335.448 2.484 20 0 EEADMM CCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001396451557 1390943268 /nfs/dbraw/zinc/94/32/68/1390943268.db2.gz ZFKZTHYAHZDIGU-ZIAGYGMSSA-N -1 1 346.431 2.017 20 0 EEADMM CCC(CC)(CC)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396743582 1390964051 /nfs/dbraw/zinc/96/40/51/1390964051.db2.gz CSDCFHVKTODTBH-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)C(C)(C)C1CC1 ZINC001398478851 1392977564 /nfs/dbraw/zinc/97/75/64/1392977564.db2.gz LKBIXKWQNZJILX-CYBMUJFWSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001398750068 1394174335 /nfs/dbraw/zinc/17/43/35/1394174335.db2.gz PYSYPFNEPSGIGV-CYBMUJFWSA-N -1 1 333.432 2.048 20 0 EEADMM CC[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)CC(C)(C)C ZINC001398988114 1394425733 /nfs/dbraw/zinc/42/57/33/1394425733.db2.gz SIRXOYIJFIQLBQ-GFCCVEGCSA-N -1 1 348.447 2.120 20 0 EEADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001425556402 1401615147 /nfs/dbraw/zinc/61/51/47/1401615147.db2.gz HRCWDEAGVWVKPF-JSGCOSHPSA-N -1 1 345.443 2.333 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@H]2C)CC1 ZINC001425683831 1401731582 /nfs/dbraw/zinc/73/15/82/1401731582.db2.gz HFGFOKMHOOOXRT-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1ccccc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001426218064 1401963950 /nfs/dbraw/zinc/96/39/50/1401963950.db2.gz IUCJRROPWMSOTQ-UONOGXRCSA-N -1 1 341.411 2.423 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(C)s1 ZINC001427609223 1402506505 /nfs/dbraw/zinc/50/65/05/1402506505.db2.gz FZNNHCHXTLIGBX-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001431793508 1403128451 /nfs/dbraw/zinc/12/84/51/1403128451.db2.gz GCKFAOOOCAPNDU-ILXRZTDVSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001431937838 1403162102 /nfs/dbraw/zinc/16/21/02/1403162102.db2.gz OSVMXVYVWBLITJ-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(CC)(CC)C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001432963820 1403337938 /nfs/dbraw/zinc/33/79/38/1403337938.db2.gz QYWIQMRHICLXRX-ZDUSSCGKSA-N -1 1 335.448 2.486 20 0 EEADMM CC(C)Oc1ncccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574345111 1403520840 /nfs/dbraw/zinc/52/08/40/1403520840.db2.gz GFAJKNDNGGCGEE-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC[C@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001576581177 1403586070 /nfs/dbraw/zinc/58/60/70/1403586070.db2.gz KJJVYDZEFXKYTK-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM CC[C@@H](C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576615835 1403590732 /nfs/dbraw/zinc/59/07/32/1403590732.db2.gz JDKAEYUWLUGZTN-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM CCCCC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577418014 1403649111 /nfs/dbraw/zinc/64/91/11/1403649111.db2.gz ZGOHKSTVIOTZET-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CCOc1cccc(Cl)c1Cn1cc(-c2nn[n-]n2)ccc1=O ZINC001578400358 1403746496 /nfs/dbraw/zinc/74/64/96/1403746496.db2.gz JHXUMJSJCHLQGZ-UHFFFAOYSA-N -1 1 331.763 2.129 20 0 EEADMM CCc1ccc(CCNC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001578524015 1403767316 /nfs/dbraw/zinc/76/73/16/1403767316.db2.gz YBRXQAHUVLUDBP-UHFFFAOYSA-N -1 1 337.387 2.188 20 0 EEADMM CCc1ccc(CCNC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001578524015 1403767320 /nfs/dbraw/zinc/76/73/20/1403767320.db2.gz YBRXQAHUVLUDBP-UHFFFAOYSA-N -1 1 337.387 2.188 20 0 EEADMM CCc1ccc2c(c1)CCN(Cc1nc(-c3nnn[n-]3)cs1)C2 ZINC001578527529 1403767967 /nfs/dbraw/zinc/76/79/67/1403767967.db2.gz UCYVDWOWMCGLMR-UHFFFAOYSA-N -1 1 326.429 2.444 20 0 EEADMM CCc1ccc2c(c1)CCN(Cc1nc(-c3nn[n-]n3)cs1)C2 ZINC001578527529 1403767976 /nfs/dbraw/zinc/76/79/76/1403767976.db2.gz UCYVDWOWMCGLMR-UHFFFAOYSA-N -1 1 326.429 2.444 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@H]2c2ccccc2)c(-c2nnn[n-]2)n1 ZINC001579483711 1403785241 /nfs/dbraw/zinc/78/52/41/1403785241.db2.gz LQHKPJWGFQPCFO-SMDDNHRTSA-N -1 1 336.355 2.016 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2C[C@H]2c2ccccc2)c(-c2nn[n-]n2)n1 ZINC001579483711 1403785249 /nfs/dbraw/zinc/78/52/49/1403785249.db2.gz LQHKPJWGFQPCFO-SMDDNHRTSA-N -1 1 336.355 2.016 20 0 EEADMM COc1ccc(C)cc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579991564 1403805470 /nfs/dbraw/zinc/80/54/70/1403805470.db2.gz DWHSKVNEVUCUHI-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001580138376 1403833083 /nfs/dbraw/zinc/83/30/83/1403833083.db2.gz KKOIIYCKIJZABG-GXSJLCMTSA-N -1 1 330.392 2.281 20 0 EEADMM Cc1ccc(COCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001581201756 1403876800 /nfs/dbraw/zinc/87/68/00/1403876800.db2.gz RSWCSXWIDZUDSC-UHFFFAOYSA-N -1 1 343.412 2.070 20 0 EEADMM CON(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001591464051 1403916449 /nfs/dbraw/zinc/91/64/49/1403916449.db2.gz ABCJDXFIDIZHCJ-UHFFFAOYSA-N -1 1 330.779 2.479 20 0 EEADMM CON(Cc1ccc(Cl)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001591464051 1403916467 /nfs/dbraw/zinc/91/64/67/1403916467.db2.gz ABCJDXFIDIZHCJ-UHFFFAOYSA-N -1 1 330.779 2.479 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC001591890911 1403970198 /nfs/dbraw/zinc/97/01/98/1403970198.db2.gz OFBBTIPJCTUXST-TVQRCGJNSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2OCCc3sccc32)n1 ZINC001591890911 1403970205 /nfs/dbraw/zinc/97/02/05/1403970205.db2.gz OFBBTIPJCTUXST-TVQRCGJNSA-N -1 1 343.416 2.141 20 0 EEADMM Cc1ccc(CN(CC2CC2)c2cc(-c3nnn[n-]3)nc(C)n2)cn1 ZINC001592152640 1404007943 /nfs/dbraw/zinc/00/79/43/1404007943.db2.gz DMCJMNGURCUSDO-UHFFFAOYSA-N -1 1 336.403 2.085 20 0 EEADMM Cc1ccc(CN(CC2CC2)c2cc(-c3nn[n-]n3)nc(C)n2)cn1 ZINC001592152640 1404007951 /nfs/dbraw/zinc/00/79/51/1404007951.db2.gz DMCJMNGURCUSDO-UHFFFAOYSA-N -1 1 336.403 2.085 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1-c1nnn[n-]1 ZINC001592480522 1404701125 /nfs/dbraw/zinc/70/11/25/1404701125.db2.gz YPZNYXLYVJRPNI-BONVTDFDSA-N -1 1 344.375 2.455 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1-c1nn[n-]n1 ZINC001592480522 1404701128 /nfs/dbraw/zinc/70/11/28/1404701128.db2.gz YPZNYXLYVJRPNI-BONVTDFDSA-N -1 1 344.375 2.455 20 0 EEADMM Cc1nsc(NCc2nn(C)c3ccccc23)c1-c1nn[n-]n1 ZINC001592493655 1404703790 /nfs/dbraw/zinc/70/37/90/1404703790.db2.gz WPDVDRGXUVFYHD-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](C2CCCCC2)C1 ZINC001592914057 1404729037 /nfs/dbraw/zinc/72/90/37/1404729037.db2.gz VBBYRALQSVUHET-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](C2CCCCC2)C1 ZINC001592914057 1404729043 /nfs/dbraw/zinc/72/90/43/1404729043.db2.gz VBBYRALQSVUHET-OAHLLOKOSA-N -1 1 340.431 2.233 20 0 EEADMM Cc1nsc(N[C@@H]2CCO[C@@H](c3ccccn3)C2)c1-c1nn[n-]n1 ZINC001606162818 1404770563 /nfs/dbraw/zinc/77/05/63/1404770563.db2.gz NGYRZNFJNVCMCL-ZYHUDNBSSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1COC(C)(C)C ZINC001606166085 1404771160 /nfs/dbraw/zinc/77/11/60/1404771160.db2.gz NPOWVYSARKVVCL-LLVKDONJSA-N -1 1 333.392 2.188 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1COC(C)(C)C ZINC001606166085 1404771164 /nfs/dbraw/zinc/77/11/64/1404771164.db2.gz NPOWVYSARKVVCL-LLVKDONJSA-N -1 1 333.392 2.188 20 0 EEADMM Cc1occc1-c1nnc(NCc2ccc(-c3nn[n-]n3)s2)o1 ZINC001606176290 1404774617 /nfs/dbraw/zinc/77/46/17/1404774617.db2.gz ZPMUZSFZQKSRMS-UHFFFAOYSA-N -1 1 329.345 2.492 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001756939341 1409530530 /nfs/dbraw/zinc/53/05/30/1409530530.db2.gz KTMJXDMTBQMMOK-DZGCQCFKSA-N -1 1 343.427 2.112 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)/C=C\C(C)(C)C ZINC001757280866 1409615185 /nfs/dbraw/zinc/61/51/85/1409615185.db2.gz UMIKLUVCFJDKRH-JWJUJFCLSA-N -1 1 331.416 2.062 20 0 EEADMM COc1ccc(F)cc1CC(=O)OCC(=O)c1ccc([O-])cc1O ZINC001771659697 1409840527 /nfs/dbraw/zinc/84/05/27/1409840527.db2.gz WLXZGRDAWOEVRA-UHFFFAOYSA-N -1 1 334.299 2.214 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(N)=O)cc2)ccc1F ZINC001771598865 1409856166 /nfs/dbraw/zinc/85/61/66/1409856166.db2.gz FQAGZJMANAYBDF-UHFFFAOYSA-N -1 1 336.388 2.353 20 0 EEADMM O=C([O-])[C@@H](Cn1cc(Cl)cn1)NCc1ccc(Br)o1 ZINC001771670176 1409907280 /nfs/dbraw/zinc/90/72/80/1409907280.db2.gz GYGREJYXNFTNHU-SECBINFHSA-N -1 1 348.584 2.135 20 0 EEADMM CC(C)CN1CCN(C(F)(F)c2cc(Cl)nnc2C(=O)[O-])CC1 ZINC001164660590 719340715 /nfs/dbraw/zinc/34/07/15/719340715.db2.gz IWZWGTKNIAHKHL-UHFFFAOYSA-N -1 1 348.781 2.151 20 0 EEADMM O=C(NCCNCc1ccn(-c2ccccc2)n1)c1ncccc1[O-] ZINC000091060536 758188925 /nfs/dbraw/zinc/18/89/25/758188925.db2.gz ZQFFKIQLPFYVQF-UHFFFAOYSA-N -1 1 337.383 2.067 20 0 EEADMM O=C(NCCNCc1csc(-c2ccoc2)n1)c1ncccc1[O-] ZINC001126131187 770036816 /nfs/dbraw/zinc/03/68/16/770036816.db2.gz NMUCYXIQCLVUGZ-UHFFFAOYSA-N -1 1 344.396 2.023 20 0 EEADMM O=C(NCC1CN(Cc2cccc(Cl)c2F)C1)c1ncccc1[O-] ZINC001031627415 770438339 /nfs/dbraw/zinc/43/83/39/770438339.db2.gz LVZIMHOFOSFMFL-UHFFFAOYSA-N -1 1 349.793 2.442 20 0 EEADMM O=C(NC[C@H]1C[C@H](NC(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000979671283 770822198 /nfs/dbraw/zinc/82/21/98/770822198.db2.gz HUOYCEWUMBCCRD-JOCQHMNTSA-N -1 1 349.406 2.084 20 0 EEADMM O=C(N[C@H]1C[C@H](CNC(=O)C2CCC=CCC2)C1)c1ncccc1[O-] ZINC000979773797 773293453 /nfs/dbraw/zinc/29/34/53/773293453.db2.gz JLKYVMHFTCYXIS-CTYIDZIISA-N -1 1 343.427 2.158 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000942756639 783141577 /nfs/dbraw/zinc/14/15/77/783141577.db2.gz PKFSHNJKSJXDKZ-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(c2cccc(F)n2)C1 ZINC001060357727 790411575 /nfs/dbraw/zinc/41/15/75/790411575.db2.gz JRZXELICFOHPRD-QWHCGFSZSA-N -1 1 344.390 2.356 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000939528400 776775814 /nfs/dbraw/zinc/77/58/14/776775814.db2.gz RDNWKTSCILADKS-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000940131614 778140330 /nfs/dbraw/zinc/14/03/30/778140330.db2.gz GKLHRUPKYPLNNO-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000940136404 778161112 /nfs/dbraw/zinc/16/11/12/778161112.db2.gz ZQBNLBHGEDWJDF-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000940474127 778706485 /nfs/dbraw/zinc/70/64/85/778706485.db2.gz KBZGDWYXPJSIGR-UHFFFAOYSA-N -1 1 345.443 2.432 20 0 EEADMM C[C@H](C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1)C1CCCC1 ZINC000940833173 779378683 /nfs/dbraw/zinc/37/86/83/779378683.db2.gz VVVMMSWYEJKPKD-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000940832705 779378958 /nfs/dbraw/zinc/37/89/58/779378958.db2.gz NFWKMJFAYSDFHK-AUUYWEPGSA-N -1 1 343.427 2.042 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000941469861 780560474 /nfs/dbraw/zinc/56/04/74/780560474.db2.gz ZJHPNGSJCWCZOP-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nccc3nc[nH]c32)Cc2ccccc2C1 ZINC001167932914 780976057 /nfs/dbraw/zinc/97/60/57/780976057.db2.gz AXWMXYGNGQXYKC-UHFFFAOYSA-N -1 1 330.284 2.043 20 0 EEADMM O=C(O[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cn[n-]n1 ZINC000805606288 783674297 /nfs/dbraw/zinc/67/42/97/783674297.db2.gz VORRYEAGNJXKRJ-LLVKDONJSA-N -1 1 341.154 2.074 20 0 EEADMM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1ccc2cncn2c1 ZINC000816333306 783902146 /nfs/dbraw/zinc/90/21/46/783902146.db2.gz HQJJKHJIWXJQRI-UHFFFAOYSA-N -1 1 343.408 2.211 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1nncn1C(C)C ZINC000817062617 784472175 /nfs/dbraw/zinc/47/21/75/784472175.db2.gz RPWAETVQANBDRD-UHFFFAOYSA-N -1 1 332.408 2.059 20 0 EEADMM O=C(c1cc(F)c(Cl)cc1F)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473834 784641840 /nfs/dbraw/zinc/64/18/40/784641840.db2.gz HBECNZLUHOZWAG-SNVBAGLBSA-N -1 1 345.762 2.062 20 0 EEADMM COCC[C@@]1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCOC1 ZINC000907788811 784866470 /nfs/dbraw/zinc/86/64/70/784866470.db2.gz FREAMIFWJHQUOT-GOSISDBHSA-N -1 1 331.368 2.176 20 0 EEADMM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1c1ccccc1 ZINC000907819197 784885536 /nfs/dbraw/zinc/88/55/36/784885536.db2.gz UFXKVZZVDFJJBF-PMUMKWKESA-N -1 1 325.368 2.162 20 0 EEADMM Cc1nc(CN[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)c(C)o1 ZINC000995709931 784949376 /nfs/dbraw/zinc/94/93/76/784949376.db2.gz JYTNGBDPJHLZJK-OAHLLOKOSA-N -1 1 344.415 2.032 20 0 EEADMM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCCC2 ZINC000908226627 785227916 /nfs/dbraw/zinc/22/79/16/785227916.db2.gz IOUHIKAIHGVYKE-CYBMUJFWSA-N -1 1 327.384 2.104 20 0 EEADMM O=C(Cc1[nH]nc2c1CCCC2)NCCCCC1(C(=O)[O-])CCC1 ZINC000908327471 785350604 /nfs/dbraw/zinc/35/06/04/785350604.db2.gz DOXKIQRLLJIXEI-UHFFFAOYSA-N -1 1 333.432 2.372 20 0 EEADMM CCN1C(=O)C[C@@H](C(=O)Nc2c(C)[n-][nH]c2=O)[C@H]1c1cccc(C)c1 ZINC000908373512 785364830 /nfs/dbraw/zinc/36/48/30/785364830.db2.gz XSARPWDACVLXOV-CZUORRHYSA-N -1 1 342.399 2.280 20 0 EEADMM CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000946060038 785416100 /nfs/dbraw/zinc/41/61/00/785416100.db2.gz MCFUZKOUQUNYKU-STQMWFEESA-N -1 1 348.447 2.039 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H]1NC(=O)C1CCCCC1)c1ncccc1[O-] ZINC000946100556 785502444 /nfs/dbraw/zinc/50/24/44/785502444.db2.gz GVVNSJSMPRHMQW-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ncc[nH]1 ZINC001136236892 785604409 /nfs/dbraw/zinc/60/44/09/785604409.db2.gz KMISUKOTYFYXJP-UHFFFAOYSA-N -1 1 342.380 2.463 20 0 EEADMM CC(C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000908745088 785683596 /nfs/dbraw/zinc/68/35/96/785683596.db2.gz XNFKRSAFDCEOMT-AWEZNQCLSA-N -1 1 337.420 2.311 20 0 EEADMM O=C([O-])[C@@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000908747825 785687239 /nfs/dbraw/zinc/68/72/39/785687239.db2.gz QVOCIEOYZPFXCQ-GJZGRUSLSA-N -1 1 349.431 2.455 20 0 EEADMM CC(C)Oc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000820155322 785809650 /nfs/dbraw/zinc/80/96/50/785809650.db2.gz OEEYFZWVDWSQTP-UHFFFAOYSA-N -1 1 340.343 2.007 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N[C@@](C)(CC)C(=O)[O-])c1ccco1 ZINC000908875715 785813661 /nfs/dbraw/zinc/81/36/61/785813661.db2.gz JNTMMACCPDUFTD-LRDDRELGSA-N -1 1 325.409 2.215 20 0 EEADMM Cn1nc(Br)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC000820243377 785839389 /nfs/dbraw/zinc/83/93/89/785839389.db2.gz CHUVFUATYZKNPJ-UHFFFAOYSA-N -1 1 332.104 2.419 20 0 EEADMM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)N(C)C ZINC000910038354 786412087 /nfs/dbraw/zinc/41/20/87/786412087.db2.gz FAFNQQIYKJAZGN-MRVPVSSYSA-N -1 1 334.294 2.215 20 0 EEADMM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc2nn[nH]c21 ZINC000910087449 786439065 /nfs/dbraw/zinc/43/90/65/786439065.db2.gz FGZUTLYVVLNFCY-SWLSCSKDSA-N -1 1 342.399 2.454 20 0 EEADMM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc(O)c(Cl)c1 ZINC000910235582 786558477 /nfs/dbraw/zinc/55/84/77/786558477.db2.gz IWUORUJSPXQFRU-SKDRFNHKSA-N -1 1 327.764 2.045 20 0 EEADMM COc1ccc(N(CC2CC2)C(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000910271077 786599941 /nfs/dbraw/zinc/59/99/41/786599941.db2.gz URTOLGKYRCKHNO-HNNXBMFYSA-N -1 1 346.427 2.235 20 0 EEADMM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](CCO)C3CCCC3)c12 ZINC000910388231 786731439 /nfs/dbraw/zinc/73/14/39/786731439.db2.gz FBXNZCGQHJWYQZ-LLVKDONJSA-N -1 1 335.429 2.473 20 0 EEADMM CCC[C@H](C)CC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107323417 786823643 /nfs/dbraw/zinc/82/36/43/786823643.db2.gz ZVCFMAJQLPLWHB-PMUMKWKESA-N -1 1 349.479 2.197 20 0 EEADMM Cc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1C(=O)[O-] ZINC000911193671 787292193 /nfs/dbraw/zinc/29/21/93/787292193.db2.gz NZBYZNNIPSLLNW-INIZCTEOSA-N -1 1 345.374 2.260 20 0 EEADMM CC(C)(C)Oc1ccc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000911250025 787332664 /nfs/dbraw/zinc/33/26/64/787332664.db2.gz FXBYSKHLMGVYAS-OAHLLOKOSA-N -1 1 348.443 2.277 20 0 EEADMM Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000911509981 787505105 /nfs/dbraw/zinc/50/51/05/787505105.db2.gz ZDEHXGYESUCVHV-DZGCQCFKSA-N -1 1 328.368 2.461 20 0 EEADMM CCCCNC(=S)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000911608708 787570660 /nfs/dbraw/zinc/57/06/60/787570660.db2.gz GFFSRALUFRZZAM-UHFFFAOYSA-N -1 1 331.463 2.153 20 0 EEADMM CCN(C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000911733223 787694585 /nfs/dbraw/zinc/69/45/85/787694585.db2.gz XSEJFBTYRPHIEB-MRXNPFEDSA-N -1 1 327.384 2.089 20 0 EEADMM O=C1OC(c2ccc(F)cc2)=NC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823548016 787814766 /nfs/dbraw/zinc/81/47/66/787814766.db2.gz RJHUSGXMXNRNBK-YRNVUSSQSA-N -1 1 341.327 2.412 20 0 EEADMM CN(CC(=O)[N-]OCc1ccccc1)C[C@@](C)(O)c1ccccc1 ZINC000823607043 787830341 /nfs/dbraw/zinc/83/03/41/787830341.db2.gz YBWOYABVLVFAPO-LJQANCHMSA-N -1 1 328.412 2.074 20 0 EEADMM 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Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000738550778 578019114 /nfs/dbraw/zinc/01/91/14/578019114.db2.gz IEJVJJUWJINNHN-HNNXBMFYSA-N -1 1 345.399 2.032 20 0 EEADMM Cc1nn(CN(C[C@H](C)C(=O)[O-])C2CC2)c(C)c1Br ZINC000738922345 578031202 /nfs/dbraw/zinc/03/12/02/578031202.db2.gz GRJNNIJHZRQBSS-QMMMGPOBSA-N -1 1 330.226 2.405 20 0 EEADMM Cc1noc2ncc(NS(=O)(=O)c3ccccc3C(=O)[O-])cc12 ZINC000738955801 578032496 /nfs/dbraw/zinc/03/24/96/578032496.db2.gz SACQMGOMAYIAAT-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccccc21)c1cc(F)ccc1F ZINC000739371661 578050706 /nfs/dbraw/zinc/05/07/06/578050706.db2.gz KLXKVPOIYBSHLZ-AWEZNQCLSA-N -1 1 331.278 2.397 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000740017327 578077372 /nfs/dbraw/zinc/07/73/72/578077372.db2.gz HSKBDXSREIFWIQ-UHFFFAOYSA-N -1 1 346.431 2.199 20 0 EEADMM CCCCN(CC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736457488 578205333 /nfs/dbraw/zinc/20/53/33/578205333.db2.gz WIJFMHISSYEMRS-UHFFFAOYSA-N -1 1 343.840 2.331 20 0 EEADMM CCCOCc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000736488525 578207096 /nfs/dbraw/zinc/20/70/96/578207096.db2.gz OLNZQTMNYPAZTR-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM CCCOCc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000736488525 578207097 /nfs/dbraw/zinc/20/70/97/578207097.db2.gz OLNZQTMNYPAZTR-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736843319 578226654 /nfs/dbraw/zinc/22/66/54/578226654.db2.gz LLUMVUJBSJVZML-UHFFFAOYSA-N -1 1 349.803 2.345 20 0 EEADMM CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736843319 578226655 /nfs/dbraw/zinc/22/66/55/578226655.db2.gz LLUMVUJBSJVZML-UHFFFAOYSA-N -1 1 349.803 2.345 20 0 EEADMM COc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1Br ZINC000737106300 578238308 /nfs/dbraw/zinc/23/83/08/578238308.db2.gz QWOKSENRSJFGAP-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1Br ZINC000737106300 578238309 /nfs/dbraw/zinc/23/83/09/578238309.db2.gz 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/nfs/dbraw/zinc/25/37/08/578253708.db2.gz VEKQDVVGOIGMCX-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM Cc1ccc2nc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cn2c1 ZINC000737375353 578253709 /nfs/dbraw/zinc/25/37/09/578253709.db2.gz VEKQDVVGOIGMCX-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM Cc1ccnc(-c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)n1 ZINC000737437981 578257679 /nfs/dbraw/zinc/25/76/79/578257679.db2.gz WSZDIEBWXITLMJ-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM Cc1ccnc(-c2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)n1 ZINC000737437981 578257680 /nfs/dbraw/zinc/25/76/80/578257680.db2.gz WSZDIEBWXITLMJ-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM CN1CCC[C@@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737518238 578261955 /nfs/dbraw/zinc/26/19/55/578261955.db2.gz CPEOESXDKRVSRO-SJLPKXTDSA-N -1 1 340.423 2.294 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000737627229 578267365 /nfs/dbraw/zinc/26/73/65/578267365.db2.gz MZBRLSOOOQJMLC-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000737627229 578267366 /nfs/dbraw/zinc/26/73/66/578267366.db2.gz MZBRLSOOOQJMLC-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000822203417 607255307 /nfs/dbraw/zinc/25/53/07/607255307.db2.gz SPWFLTNHOHXDLW-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM COc1cc(CNc2cccc(-c3nnn[n-]3)n2)c2ccccc2n1 ZINC000821717216 599061935 /nfs/dbraw/zinc/06/19/35/599061935.db2.gz LNVQKUYEOQVHJE-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1cc(CNc2cccc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC000821717216 599061937 /nfs/dbraw/zinc/06/19/37/599061937.db2.gz LNVQKUYEOQVHJE-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000322403708 600175982 /nfs/dbraw/zinc/17/59/82/600175982.db2.gz PUPOIGTZDMYDRL-UHFFFAOYSA-N -1 1 339.329 2.039 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)[nH]1 ZINC000833020733 600934060 /nfs/dbraw/zinc/93/40/60/600934060.db2.gz 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ZINC000830043991 601129316 /nfs/dbraw/zinc/12/93/16/601129316.db2.gz FQYRAOQEUOEJOB-CQSZACIVSA-N -1 1 349.431 2.406 20 0 EEADMM C/C(=C\CN1CCN(Cc2cnn(-c3ccccc3)c2)CC1)C(=O)[O-] ZINC000825746678 601164742 /nfs/dbraw/zinc/16/47/42/601164742.db2.gz JSQHCVYFUSAMPY-FRKPEAEDSA-N -1 1 340.427 2.021 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000830825117 601173510 /nfs/dbraw/zinc/17/35/10/601173510.db2.gz AJCQDKVSACOVHP-CQSZACIVSA-N -1 1 330.837 2.203 20 0 EEADMM O=C([O-])c1coc(C(=O)COC(=O)c2c(F)cc(O)cc2F)c1 ZINC000833339198 601189499 /nfs/dbraw/zinc/18/94/99/601189499.db2.gz HGLZKKUYLNERLI-UHFFFAOYSA-N -1 1 326.207 2.001 20 0 EEADMM Cc1ccc(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832948790 601338315 /nfs/dbraw/zinc/33/83/15/601338315.db2.gz DYQSHICTRYIUER-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1noc([C@@H]2CCCN(Cn3nc(C(=O)[O-])c4ccccc43)C2)n1 ZINC000833023069 601399247 /nfs/dbraw/zinc/39/92/47/601399247.db2.gz RPHVTFCAJSWITJ-GFCCVEGCSA-N -1 1 341.371 2.263 20 0 EEADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)N(C)C ZINC000832803621 601409835 /nfs/dbraw/zinc/40/98/35/601409835.db2.gz QINVGHMUKVLHBF-JOYOIKCWSA-N -1 1 343.221 2.031 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnc1Cl ZINC000161015889 601576729 /nfs/dbraw/zinc/57/67/29/601576729.db2.gz ODVVDPLQJOIFKU-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Fc1cc(F)c2c(c1)CN(Cc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC000826373124 607515616 /nfs/dbraw/zinc/51/56/16/607515616.db2.gz ZVFPOGGGSLQRDN-UHFFFAOYSA-N -1 1 328.326 2.098 20 0 EEADMM C[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828325502 601756969 /nfs/dbraw/zinc/75/69/69/601756969.db2.gz GWDUUIRNBADPHE-PVAVHDDUSA-N -1 1 330.428 2.220 20 0 EEADMM CC(C)(C)c1cnc([S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000824136606 607529290 /nfs/dbraw/zinc/52/92/90/607529290.db2.gz RDUFDOBATGHOOY-QHCPKHFHSA-N -1 1 348.457 2.324 20 0 EEADMM CC(C)(C)c1cnc([S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000824136606 607529291 /nfs/dbraw/zinc/52/92/91/607529291.db2.gz RDUFDOBATGHOOY-QHCPKHFHSA-N -1 1 348.457 2.324 20 0 EEADMM COc1cccc([C@@H](CNC(=O)[C@@H](C)CC(=O)[O-])N2CCCC2)c1 ZINC000832533129 602075249 /nfs/dbraw/zinc/07/52/49/602075249.db2.gz IMNRZJIQRUJOIJ-XJKSGUPXSA-N -1 1 334.416 2.059 20 0 EEADMM CC(C)Oc1cccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000827058694 602227766 /nfs/dbraw/zinc/22/77/66/602227766.db2.gz RQZMTCWZMFGPAV-MRXNPFEDSA-N -1 1 336.432 2.179 20 0 EEADMM CC1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000824838705 607598816 /nfs/dbraw/zinc/59/88/16/607598816.db2.gz UEYBQFXJMADLAB-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM CC1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000824838705 607598817 /nfs/dbraw/zinc/59/88/17/607598817.db2.gz UEYBQFXJMADLAB-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)n[nH]2)c1 ZINC000263422242 604312424 /nfs/dbraw/zinc/31/24/24/604312424.db2.gz LKYNASYKWFSRJR-QGZVFWFLSA-N -1 1 329.356 2.022 20 0 EEADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000393068128 604605107 /nfs/dbraw/zinc/60/51/07/604605107.db2.gz UTKAFNRWXRDWLS-YOEHRIQHSA-N -1 1 345.443 2.196 20 0 EEADMM CC(C)=CCOc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833462744 604896733 /nfs/dbraw/zinc/89/67/33/604896733.db2.gz RGGPOLQEHSTOPO-INIZCTEOSA-N -1 1 343.383 2.180 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000325392247 604933810 /nfs/dbraw/zinc/93/38/10/604933810.db2.gz WBISKUPONYEMCZ-CQSZACIVSA-N -1 1 329.400 2.320 20 0 EEADMM CN(C(=O)CN1CCC[C@@H]1CC(=O)[O-])c1nc2ccccc2s1 ZINC000833684432 604968372 /nfs/dbraw/zinc/96/83/72/604968372.db2.gz BTCQEYXTZXCSJC-LLVKDONJSA-N -1 1 333.413 2.198 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000833770385 604980861 /nfs/dbraw/zinc/98/08/61/604980861.db2.gz FGIXPLZRFZVTMI-ZDUSSCGKSA-N -1 1 328.206 2.107 20 0 EEADMM COCC1(C)CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000833722728 605021534 /nfs/dbraw/zinc/02/15/34/605021534.db2.gz FUTXXSIHUNHSBN-UHFFFAOYSA-N -1 1 334.416 2.096 20 0 EEADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833633746 605052573 /nfs/dbraw/zinc/05/25/73/605052573.db2.gz ZTXUNNGIKHICCA-LBTNJELSSA-N -1 1 345.443 2.110 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(C)CCCCC1 ZINC000833624989 605056645 /nfs/dbraw/zinc/05/66/45/605056645.db2.gz MJTWVCGPEGODBS-CQSZACIVSA-N -1 1 325.453 2.147 20 0 EEADMM CC(C)C(=O)NCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833467934 605061878 /nfs/dbraw/zinc/06/18/78/605061878.db2.gz YDUULLFZJWPLTJ-GFCCVEGCSA-N -1 1 333.215 2.481 20 0 EEADMM CC(C)Cc1ccc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833493032 605079731 /nfs/dbraw/zinc/07/97/31/605079731.db2.gz ISDRCAYVKRTOIO-KRWDZBQOSA-N -1 1 343.427 2.353 20 0 EEADMM CCC(CC)(CNC(=O)N1C[C@@H]2CCCCN2C[C@H]1C)C(=O)[O-] ZINC000322257582 605097638 /nfs/dbraw/zinc/09/76/38/605097638.db2.gz OOIJUZUOWWQLMH-KGLIPLIRSA-N -1 1 325.453 2.146 20 0 EEADMM CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC000833442044 605103434 /nfs/dbraw/zinc/10/34/34/605103434.db2.gz MBGCCKYHXMZPGT-UHFFFAOYSA-N -1 1 337.420 2.450 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000833618377 605105598 /nfs/dbraw/zinc/10/55/98/605105598.db2.gz BENUOWWCTSPUQT-MZBZXASESA-N -1 1 342.848 2.422 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1 ZINC000833381076 605111115 /nfs/dbraw/zinc/11/11/15/605111115.db2.gz ALPMHZPCJNMHKZ-CMPYXILNSA-N -1 1 334.391 2.236 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833656616 605119722 /nfs/dbraw/zinc/11/97/22/605119722.db2.gz KEBHRDZXIYTMEP-ZIAGYGMSSA-N -1 1 333.432 2.051 20 0 EEADMM C[C@@H](CN(CN1C[C@@H](Cc2ccccc2)OC1=O)C1CC1)C(=O)[O-] ZINC000833516695 605786487 /nfs/dbraw/zinc/78/64/87/605786487.db2.gz SVAILFOTKILPMU-XJKSGUPXSA-N -1 1 332.400 2.193 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833479491 606091424 /nfs/dbraw/zinc/09/14/24/606091424.db2.gz MUQHXAAMHSJDJG-OLZOCXBDSA-N -1 1 349.435 2.070 20 0 EEADMM Cc1cccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822289117 606161295 /nfs/dbraw/zinc/16/12/95/606161295.db2.gz RRODBJVWJFKART-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM Cc1cccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000822289117 606161297 /nfs/dbraw/zinc/16/12/97/606161297.db2.gz RRODBJVWJFKART-NSHDSACASA-N -1 1 340.391 2.100 20 0 EEADMM CC(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820191988 606164868 /nfs/dbraw/zinc/16/48/68/606164868.db2.gz CZTBHTVONXBCER-UHFFFAOYSA-N -1 1 340.391 2.045 20 0 EEADMM CC(C)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820191988 606164870 /nfs/dbraw/zinc/16/48/70/606164870.db2.gz CZTBHTVONXBCER-UHFFFAOYSA-N -1 1 340.391 2.045 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000819834126 606294914 /nfs/dbraw/zinc/29/49/14/606294914.db2.gz MEFIMZRTEBWNHQ-UHFFFAOYSA-N -1 1 329.341 2.089 20 0 EEADMM Clc1ccc(NCc2cn3ccsc3n2)nc1-c1nn[n-]n1 ZINC000822577995 606445197 /nfs/dbraw/zinc/44/51/97/606445197.db2.gz AIIGLJJBINZFRJ-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704968 606525862 /nfs/dbraw/zinc/52/58/62/606525862.db2.gz QWNTYIOWPTYAOW-GHMZBOCLSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704968 606525864 /nfs/dbraw/zinc/52/58/64/606525864.db2.gz QWNTYIOWPTYAOW-GHMZBOCLSA-N -1 1 335.433 2.253 20 0 EEADMM O=C(NCCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823223545 606561178 /nfs/dbraw/zinc/56/11/78/606561178.db2.gz CLNMFRWRTOTOLY-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823223545 606561180 /nfs/dbraw/zinc/56/11/80/606561180.db2.gz CLNMFRWRTOTOLY-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(C)nn(C)c1C ZINC000820920779 606576154 /nfs/dbraw/zinc/57/61/54/606576154.db2.gz SMRPRLDSRSDVDK-JTQLQIEISA-N -1 1 345.432 2.160 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(C)nn(C)c1C ZINC000820920779 606576155 /nfs/dbraw/zinc/57/61/55/606576155.db2.gz SMRPRLDSRSDVDK-JTQLQIEISA-N -1 1 345.432 2.160 20 0 EEADMM CCSc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000821462250 606650827 /nfs/dbraw/zinc/65/08/27/606650827.db2.gz XQNMGUUQKAODIQ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM CCSc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000821462250 606650828 /nfs/dbraw/zinc/65/08/28/606650828.db2.gz XQNMGUUQKAODIQ-UHFFFAOYSA-N -1 1 342.384 2.126 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000823436031 606651596 /nfs/dbraw/zinc/65/15/96/606651596.db2.gz FJVNERXCTKXAQY-BEFAXECRSA-N -1 1 347.378 2.209 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000823436031 606651597 /nfs/dbraw/zinc/65/15/97/606651597.db2.gz FJVNERXCTKXAQY-BEFAXECRSA-N -1 1 347.378 2.209 20 0 EEADMM CCc1nnc(Oc2ccc3c[nH]nc3c2)c(-c2nn[n-]n2)c1CC ZINC000821548157 606942020 /nfs/dbraw/zinc/94/20/20/606942020.db2.gz ITNFCQACUAGVPR-UHFFFAOYSA-N -1 1 336.359 2.450 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2cc(F)ccc2[nH]1 ZINC000823379891 607108610 /nfs/dbraw/zinc/10/86/10/607108610.db2.gz MSBXLDUOARETNX-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2cc(F)ccc2[nH]1 ZINC000823379891 607108612 /nfs/dbraw/zinc/10/86/12/607108612.db2.gz MSBXLDUOARETNX-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM Cc1noc(C)c1CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000826339177 607893506 /nfs/dbraw/zinc/89/35/06/607893506.db2.gz UPPIIKLZVKSEBJ-UHFFFAOYSA-N -1 1 336.355 2.029 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(-c2ccccc2)n1 ZINC000824662875 607901973 /nfs/dbraw/zinc/90/19/73/607901973.db2.gz STCTYFHRGFLGTD-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(-c2ccccc2)n1 ZINC000824662875 607901974 /nfs/dbraw/zinc/90/19/74/607901974.db2.gz STCTYFHRGFLGTD-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(OC(F)F)cc1 ZINC000824655325 607988907 /nfs/dbraw/zinc/98/89/07/607988907.db2.gz CESCGAVOYAPUGW-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(OC(F)F)cc1 ZINC000824655325 607988908 /nfs/dbraw/zinc/98/89/08/607988908.db2.gz CESCGAVOYAPUGW-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nc(Cl)ccc1F ZINC000826450758 607998153 /nfs/dbraw/zinc/99/81/53/607998153.db2.gz CLIUNHPEULBGLU-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM CCOC(=O)CC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825506049 608018691 /nfs/dbraw/zinc/01/86/91/608018691.db2.gz CJSALEQMYIUFPM-ZCFIWIBFSA-N -1 1 330.801 2.120 20 0 EEADMM CCOC(=O)CC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825506049 608018692 /nfs/dbraw/zinc/01/86/92/608018692.db2.gz CJSALEQMYIUFPM-ZCFIWIBFSA-N -1 1 330.801 2.120 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824390907 608123145 /nfs/dbraw/zinc/12/31/45/608123145.db2.gz FHYOIGJTNSSVTH-RQJHMYQMSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824390907 608123146 /nfs/dbraw/zinc/12/31/46/608123146.db2.gz FHYOIGJTNSSVTH-RQJHMYQMSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000824414101 608140058 /nfs/dbraw/zinc/14/00/58/608140058.db2.gz UJCABNNBCLIBHA-MRVPVSSYSA-N -1 1 334.430 2.260 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000824414101 608140059 /nfs/dbraw/zinc/14/00/59/608140059.db2.gz UJCABNNBCLIBHA-MRVPVSSYSA-N -1 1 334.430 2.260 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)[C@H]1OC ZINC000825164556 608167297 /nfs/dbraw/zinc/16/72/97/608167297.db2.gz CWDPBJJJSVHCPT-OASPWFOLSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)[C@H]1OC ZINC000825164556 608167298 /nfs/dbraw/zinc/16/72/98/608167298.db2.gz CWDPBJJJSVHCPT-OASPWFOLSA-N -1 1 349.460 2.498 20 0 EEADMM CC(C)C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000824242761 608188065 /nfs/dbraw/zinc/18/80/65/608188065.db2.gz BGJUMEREDIQXAZ-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000824242761 608188066 /nfs/dbraw/zinc/18/80/66/608188066.db2.gz BGJUMEREDIQXAZ-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824394309 608203926 /nfs/dbraw/zinc/20/39/26/608203926.db2.gz XGPNGPSEWGDNCD-MRVPVSSYSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824394309 608203928 /nfs/dbraw/zinc/20/39/28/608203928.db2.gz XGPNGPSEWGDNCD-MRVPVSSYSA-N -1 1 347.425 2.381 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1F ZINC000824513936 608314325 /nfs/dbraw/zinc/31/43/25/608314325.db2.gz KJXGWQPWQKJEEY-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1F ZINC000824513936 608314327 /nfs/dbraw/zinc/31/43/27/608314327.db2.gz KJXGWQPWQKJEEY-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM CC(C)(C)c1cc(NC(=O)Cc2ccon2)c(-c2nnn[n-]2)s1 ZINC000824130859 608348461 /nfs/dbraw/zinc/34/84/61/608348461.db2.gz QAMFCBAKWBTSGS-UHFFFAOYSA-N -1 1 332.389 2.395 20 0 EEADMM CC(C)(C)c1cc(NC(=O)Cc2ccon2)c(-c2nn[n-]n2)s1 ZINC000824130859 608348462 /nfs/dbraw/zinc/34/84/62/608348462.db2.gz QAMFCBAKWBTSGS-UHFFFAOYSA-N -1 1 332.389 2.395 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccn2)cc1 ZINC000826521020 608390448 /nfs/dbraw/zinc/39/04/48/608390448.db2.gz XNCGKLTYOZKNPQ-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccn2)cc1 ZINC000826521020 608390450 /nfs/dbraw/zinc/39/04/50/608390450.db2.gz XNCGKLTYOZKNPQ-MRXNPFEDSA-N -1 1 330.355 2.253 20 0 EEADMM Brc1ccc2c(c1)CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC000823831941 608404418 /nfs/dbraw/zinc/40/44/18/608404418.db2.gz GUTGSGRTDSLQAF-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC000823831941 608404419 /nfs/dbraw/zinc/40/44/19/608404419.db2.gz GUTGSGRTDSLQAF-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824897864 608424282 /nfs/dbraw/zinc/42/42/82/608424282.db2.gz CAPSWJDCJQQAJE-HZMBPMFUSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824897864 608424283 /nfs/dbraw/zinc/42/42/83/608424283.db2.gz CAPSWJDCJQQAJE-HZMBPMFUSA-N -1 1 325.351 2.383 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582410 608424696 /nfs/dbraw/zinc/42/46/96/608424696.db2.gz KSVVQSSJKGWMAR-QWHCGFSZSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582410 608424698 /nfs/dbraw/zinc/42/46/98/608424698.db2.gz KSVVQSSJKGWMAR-QWHCGFSZSA-N -1 1 329.408 2.197 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccccc1F ZINC000825120132 608429100 /nfs/dbraw/zinc/42/91/00/608429100.db2.gz HXZPPYJJQJJXDH-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccccc1F ZINC000825120132 608429102 /nfs/dbraw/zinc/42/91/02/608429102.db2.gz HXZPPYJJQJJXDH-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892513 608528536 /nfs/dbraw/zinc/52/85/36/608528536.db2.gz NLXLMBNXEVLTDO-UHFFFAOYSA-N -1 1 346.778 2.184 20 0 EEADMM CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892513 608528537 /nfs/dbraw/zinc/52/85/37/608528537.db2.gz NLXLMBNXEVLTDO-UHFFFAOYSA-N -1 1 346.778 2.184 20 0 EEADMM Clc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc1 ZINC000826351786 608585885 /nfs/dbraw/zinc/58/58/85/608585885.db2.gz AJVXOLSWIOBNPX-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc1 ZINC000826351786 608585887 /nfs/dbraw/zinc/58/58/87/608585887.db2.gz AJVXOLSWIOBNPX-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM C[C@](O)(CNc1cc(-c2nnn[n-]2)nc2ccccc21)C(F)(F)F ZINC000824671507 609164416 /nfs/dbraw/zinc/16/44/16/609164416.db2.gz ZYPAWFOBMYVEJV-ZDUSSCGKSA-N -1 1 338.293 2.140 20 0 EEADMM C[C@](O)(CNc1cc(-c2nn[n-]n2)nc2ccccc21)C(F)(F)F ZINC000824671507 609164418 /nfs/dbraw/zinc/16/44/18/609164418.db2.gz ZYPAWFOBMYVEJV-ZDUSSCGKSA-N -1 1 338.293 2.140 20 0 EEADMM COc1cc(-c2nn[nH]n2)ccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000826173440 609182176 /nfs/dbraw/zinc/18/21/76/609182176.db2.gz DOOZRDGLWYHAAT-UHFFFAOYSA-N -1 1 344.400 2.280 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000826369731 609317288 /nfs/dbraw/zinc/31/72/88/609317288.db2.gz OOOPYGBXGZVMJK-SECBINFHSA-N -1 1 347.329 2.018 20 0 EEADMM FC(F)O[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000826369731 609317289 /nfs/dbraw/zinc/31/72/89/609317289.db2.gz OOOPYGBXGZVMJK-SECBINFHSA-N -1 1 347.329 2.018 20 0 EEADMM O=C(CCc1nn[n-]n1)NCc1ccccc1SC(F)(F)F ZINC000890854376 675683149 /nfs/dbraw/zinc/68/31/49/675683149.db2.gz DNEDBQAGXORAHK-UHFFFAOYSA-N -1 1 331.323 2.061 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627258 676735349 /nfs/dbraw/zinc/73/53/49/676735349.db2.gz 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/nfs/dbraw/zinc/30/10/26/1217301026.db2.gz PNUDDBOLECPBFD-HZSPNIEDSA-N -1 1 343.427 2.039 20 0 EEADMM O=C(C=C1CCC1)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962948573 1217302377 /nfs/dbraw/zinc/30/23/77/1217302377.db2.gz VACNQEFPCGGFGJ-HUUCEWRRSA-N -1 1 341.411 2.103 20 0 EEADMM O=C(N[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2)C1=CCCC1 ZINC000963567048 1217880882 /nfs/dbraw/zinc/88/08/82/1217880882.db2.gz RPGIBZJIUXEYHR-OAHLLOKOSA-N -1 1 341.411 2.008 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1)c1ccoc1 ZINC000963930599 1218133894 /nfs/dbraw/zinc/13/38/94/1218133894.db2.gz SUZLFCUKZMDEMJ-MQMHXKEQSA-N -1 1 343.383 2.099 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1=CCCC1 ZINC000964828795 1218655948 /nfs/dbraw/zinc/65/59/48/1218655948.db2.gz ZRWWZEZPGRKFNX-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM Cc1coc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)c1 ZINC000964851198 1218673872 /nfs/dbraw/zinc/67/38/72/1218673872.db2.gz VXMGLSDBSZQDMD-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM C[C@H](CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000964851641 1218674800 /nfs/dbraw/zinc/67/48/00/1218674800.db2.gz XOUYRONFFAOLHD-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C(C)(C)C1CCC1 ZINC000966334254 1219684914 /nfs/dbraw/zinc/68/49/14/1219684914.db2.gz XHOUYNJXJPUWEB-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(F)CCCCC1 ZINC000966348864 1219694830 /nfs/dbraw/zinc/69/48/30/1219694830.db2.gz MIZGDSPJQNBYDZ-QWHCGFSZSA-N -1 1 349.406 2.036 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC000966354758 1219698129 /nfs/dbraw/zinc/69/81/29/1219698129.db2.gz ZLFBQGZJSOSCLQ-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1sccc1C(=O)N1C[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000966399688 1219725623 /nfs/dbraw/zinc/72/56/23/1219725623.db2.gz UAOCMFWNRLTRIW-GXFFZTMASA-N -1 1 345.424 2.048 20 0 EEADMM Cc1sccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000966399697 1219725828 /nfs/dbraw/zinc/72/58/28/1219725828.db2.gz UAOCMFWNRLTRIW-ZWNOBZJWSA-N -1 1 345.424 2.048 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000966615862 1219892570 /nfs/dbraw/zinc/89/25/70/1219892570.db2.gz CXFXDABRPSONTL-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1)C1CC1 ZINC000967013983 1220199593 /nfs/dbraw/zinc/19/95/93/1220199593.db2.gz YGYLTQONVLXEPK-DOMZBBRYSA-N -1 1 345.443 2.190 20 0 EEADMM CN(C(=O)C(C)(C)C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000967662030 1220717078 /nfs/dbraw/zinc/71/70/78/1220717078.db2.gz XDJQXUOTLWMGIE-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C(C)(CC)CC)C1 ZINC000967906151 1220908491 /nfs/dbraw/zinc/90/84/91/1220908491.db2.gz YZFXIQHGPNIHEW-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(NC[C@@H]1CCCCCN1Cc1ccns1)c1ncccc1[O-] ZINC000968830810 1221606596 /nfs/dbraw/zinc/60/65/96/1221606596.db2.gz FQYHWQJBVAFPLK-ZDUSSCGKSA-N -1 1 346.456 2.418 20 0 EEADMM CCCc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC001010733734 1223877861 /nfs/dbraw/zinc/87/78/61/1223877861.db2.gz RBYKVLNEMBBQEG-LBPRGKRZSA-N -1 1 346.456 2.201 20 0 EEADMM CC1(CC(=O)N2CC3(C2)CCCN(C(=O)c2ncccc2[O-])C3)CC1 ZINC001010736454 1223879526 /nfs/dbraw/zinc/87/95/26/1223879526.db2.gz CFRYBTYPIANNJH-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014257589 1226420423 /nfs/dbraw/zinc/42/04/23/1226420423.db2.gz LFPHXCNXXPODDH-UGSOOPFHSA-N -1 1 347.390 2.304 20 0 EEADMM CCC(C)(CC)C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001019073868 1228696933 /nfs/dbraw/zinc/69/69/33/1228696933.db2.gz MLMMIOSMORJXSD-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2cc(C)ccc2C)c1[O-] ZINC001038164469 1229673052 /nfs/dbraw/zinc/67/30/52/1229673052.db2.gz JDMRRUREUFZMRI-HNNXBMFYSA-N -1 1 328.416 2.045 20 0 EEADMM CC(C)c1cc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)ncn1 ZINC001043148526 1232284453 /nfs/dbraw/zinc/28/44/53/1232284453.db2.gz XXLMGHCMZWSKKP-TZMCWYRMSA-N -1 1 341.415 2.273 20 0 EEADMM Cc1cnc([C@H](C)N2CCC(C)(NC(=O)c3ncccc3[O-])CC2)o1 ZINC001045414257 1233730861 /nfs/dbraw/zinc/73/08/61/1233730861.db2.gz APLXFEIELZYEPI-ZDUSSCGKSA-N -1 1 344.415 2.429 20 0 EEADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001413194210 1234634057 /nfs/dbraw/zinc/63/40/57/1234634057.db2.gz OJNUBZLYKTVROI-BJDJZHNGSA-N -1 1 348.365 2.050 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC(=O)c2ccc[nH]2)n1 ZINC000801427134 1235562403 /nfs/dbraw/zinc/56/24/03/1235562403.db2.gz CSYWBQCLQQPCGE-UHFFFAOYSA-N -1 1 343.314 2.393 20 0 EEADMM Cc1noc(COC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])n1 ZINC000801428008 1235563508 /nfs/dbraw/zinc/56/35/08/1235563508.db2.gz PGYNCZWOKAPBLJ-UHFFFAOYSA-N -1 1 332.291 2.074 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCc2cnn(C)c2)n1 ZINC000801427875 1235563519 /nfs/dbraw/zinc/56/35/19/1235563519.db2.gz WJHLVTCNQUTPEW-UHFFFAOYSA-N -1 1 330.319 2.116 20 0 EEADMM CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC001047330784 1235870783 /nfs/dbraw/zinc/87/07/83/1235870783.db2.gz MPVHYMCVELAFBA-IHRRRGAJSA-N -1 1 331.416 2.087 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(Cc1cn(-c3ccc(F)cc3)nn1)CC2 ZINC000901501863 1235888358 /nfs/dbraw/zinc/88/83/58/1235888358.db2.gz YIVQGBYKOLNFFL-OAHLLOKOSA-N -1 1 330.363 2.093 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(Cc1cn(-c3ccc(F)cc3)nn1)CC2 ZINC000901501861 1235888570 /nfs/dbraw/zinc/88/85/70/1235888570.db2.gz YIVQGBYKOLNFFL-HNNXBMFYSA-N -1 1 330.363 2.093 20 0 EEADMM CCOc1ncc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cl ZINC000801702925 1236055719 /nfs/dbraw/zinc/05/57/19/1236055719.db2.gz XXVZJYGPNMBMHP-UHFFFAOYSA-N -1 1 331.763 2.041 20 0 EEADMM COc1cc(F)c([N-]S(=O)(=O)c2cnc3n2CCCC3)cc1F ZINC000901905378 1236597219 /nfs/dbraw/zinc/59/72/19/1236597219.db2.gz UULNTQUDXYCGAR-UHFFFAOYSA-N -1 1 343.355 2.307 20 0 EEADMM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cccc(CO)c1Cl ZINC000901932520 1236662702 /nfs/dbraw/zinc/66/27/02/1236662702.db2.gz VBVWVVAFTDITQO-UHFFFAOYSA-N -1 1 341.820 2.244 20 0 EEADMM C[C@H](C(=O)[O-])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000902265280 1237310182 /nfs/dbraw/zinc/31/01/82/1237310182.db2.gz XKGMDWBIQMNIGQ-CABZTGNLSA-N -1 1 332.322 2.145 20 0 EEADMM Cc1ccc2ncnc(N[C@@H]3CCN(C(=O)c4ncccc4[O-])C3)c2c1 ZINC001056612657 1239449052 /nfs/dbraw/zinc/44/90/52/1239449052.db2.gz VBYCIZMENUALEW-CYBMUJFWSA-N -1 1 349.394 2.365 20 0 EEADMM COCCc1ccnc([N-]S(=O)(=O)CCc2cccc(F)c2)c1 ZINC000903630166 1241262254 /nfs/dbraw/zinc/26/22/54/1241262254.db2.gz MTYOXPFQDRLUDN-UHFFFAOYSA-N -1 1 338.404 2.394 20 0 EEADMM O=C(NCC1CN(C(=O)C2CCCCCCC2)C1)c1ncccc1[O-] ZINC001001541188 1242456080 /nfs/dbraw/zinc/45/60/80/1242456080.db2.gz IEDXQULEKRRQBC-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H]1CC(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)C[C@H](C)C1 ZINC001001543009 1242458489 /nfs/dbraw/zinc/45/84/89/1242458489.db2.gz DJSRQGNEHIHXKD-CHWSQXEVSA-N -1 1 345.443 2.048 20 0 EEADMM O=C([O-])[C@@H]1c2ccccc2OCCN1C[C@H](O)c1cccc(F)c1 ZINC000903927625 1242529290 /nfs/dbraw/zinc/52/92/90/1242529290.db2.gz KKQPXDYHZAUOJT-RDJZCZTQSA-N -1 1 331.343 2.379 20 0 EEADMM CC1CCC(CN2CCOC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001050892821 1244564728 /nfs/dbraw/zinc/56/47/28/1244564728.db2.gz WIRWLNZIRCIJHW-GPANFISMSA-N -1 1 347.459 2.044 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001052674947 1244724942 /nfs/dbraw/zinc/72/49/42/1244724942.db2.gz AMMUQJUTDXZYBY-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H](Nc1cnc(F)cn1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058007347 1248255710 /nfs/dbraw/zinc/25/57/10/1248255710.db2.gz SZBHJLWEYQPWAI-RYUDHWBXSA-N -1 1 345.378 2.212 20 0 EEADMM CCC1(NC(=O)/C=C\C2CC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322872 1252744206 /nfs/dbraw/zinc/74/42/06/1252744206.db2.gz UJXNEIHTGLXTFH-FPLPWBNLSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1noc(C)c1CN1C[C@H](NC(=O)c2ncccc2[O-])CC[C@H]1C ZINC001071453947 1254209907 /nfs/dbraw/zinc/20/99/07/1254209907.db2.gz CXRWORACQHLSKC-BXUZGUMPSA-N -1 1 344.415 2.175 20 0 EEADMM Cc1cc(O[C@@H]2CCCN(C(=O)c3ccc([O-])c(F)c3)C2)ncn1 ZINC001186220092 1279013132 /nfs/dbraw/zinc/01/31/32/1279013132.db2.gz VLFISRMVCHNAED-CYBMUJFWSA-N -1 1 331.347 2.313 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000836719251 1277987209 /nfs/dbraw/zinc/98/72/09/1277987209.db2.gz CCGYTWVVGBFNCT-GFCCVEGCSA-N -1 1 328.372 2.189 20 0 EEADMM CC(=O)CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187985578 1279729700 /nfs/dbraw/zinc/72/97/00/1279729700.db2.gz YIFNHEJLUUOFLV-UHFFFAOYSA-N -1 1 325.217 2.424 20 0 EEADMM CO[C@@H](C)C[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189051756 1280118358 /nfs/dbraw/zinc/11/83/58/1280118358.db2.gz CEURDEJHXFGACZ-LURJTMIESA-N -1 1 344.177 2.041 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cn1 ZINC001189644576 1280410339 /nfs/dbraw/zinc/41/03/39/1280410339.db2.gz CNXGYIVNVNVNOD-UHFFFAOYSA-N -1 1 342.323 2.088 20 0 EEADMM 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CCCC(CCC)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C12CCC2 ZINC001203318290 1321864761 /nfs/dbraw/zinc/86/47/61/1321864761.db2.gz URCRLYUMOKAGAC-KGLIPLIRSA-N -1 1 349.479 2.244 20 0 EEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-][C@H](c1ccccn1)C(F)(F)F ZINC001261031656 1322004214 /nfs/dbraw/zinc/00/42/14/1322004214.db2.gz HNDVDUQQOBLHAI-LLVKDONJSA-N -1 1 334.323 2.003 20 0 EEADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(OCc3nn[n-]n3)cc2)O1 ZINC000352357327 1322144903 /nfs/dbraw/zinc/14/49/03/1322144903.db2.gz QDDMFQKBVDQRBU-BXUZGUMPSA-N -1 1 331.376 2.065 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cnn([C@H]3CCOC3)c2)c1 ZINC001205185197 1322308034 /nfs/dbraw/zinc/30/80/34/1322308034.db2.gz REJKCRALWVRXDG-LBPRGKRZSA-N -1 1 337.401 2.087 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001262879355 1322389140 /nfs/dbraw/zinc/38/91/40/1322389140.db2.gz ZZFRMEGLCJSPTF-MNOVXSKESA-N -1 1 349.822 2.099 20 0 EEADMM COc1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)ccc1F ZINC000357256595 1323393062 /nfs/dbraw/zinc/39/30/62/1323393062.db2.gz RRMNZMVULNEABE-UHFFFAOYSA-N -1 1 343.318 2.179 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccn3cc(C)nc3c2)cc(=O)[n-]1 ZINC001207864224 1324187850 /nfs/dbraw/zinc/18/78/50/1324187850.db2.gz MWWWFMFBPSMYCB-UHFFFAOYSA-N -1 1 344.400 2.182 20 0 EEADMM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1ncccc1[O-])C2 ZINC001276590602 1324677339 /nfs/dbraw/zinc/67/73/39/1324677339.db2.gz JDYVNXXHVCMKFR-HNNXBMFYSA-N -1 1 325.412 2.096 20 0 EEADMM CN1CCN(c2cncc(Nc3cc(F)cc(C(=O)[O-])c3)c2)CC1 ZINC001209886686 1325085429 /nfs/dbraw/zinc/08/54/29/1325085429.db2.gz APLHBUFQOKDVCJ-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590205751 1349200776 /nfs/dbraw/zinc/20/07/76/1349200776.db2.gz DYVXLVDZCBWQRF-IONNQARKSA-N -1 1 328.298 2.260 20 0 EEADMM C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590205751 1349200785 /nfs/dbraw/zinc/20/07/85/1349200785.db2.gz DYVXLVDZCBWQRF-IONNQARKSA-N -1 1 328.298 2.260 20 0 EEADMM CC[C@@H](C)C[C@@H](C)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590406905 1349309140 /nfs/dbraw/zinc/30/91/40/1349309140.db2.gz UJSAEWXEHOWMHL-NXEZZACHSA-N -1 1 343.478 2.172 20 0 EEADMM C[C@H]1Cc2cccc(F)c2N(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590331489 1349269925 /nfs/dbraw/zinc/26/99/25/1349269925.db2.gz NOHCBWKYUQDREZ-VIFPVBQESA-N -1 1 327.319 2.438 20 0 EEADMM O=C([O-])C[C@H](NC(=O)CCN1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC001602115651 1350442086 /nfs/dbraw/zinc/44/20/86/1350442086.db2.gz UDPGHPBGWLNFPQ-KGLIPLIRSA-N -1 1 342.798 2.406 20 0 EEADMM O=C([O-])c1nn(CN2CCC([C@H]3CCOC3)CC2)c2ccccc21 ZINC001602585023 1350551142 /nfs/dbraw/zinc/55/11/42/1350551142.db2.gz OEWACWGJCYOYRC-AWEZNQCLSA-N -1 1 329.400 2.441 20 0 EEADMM Brc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001602671984 1350571028 /nfs/dbraw/zinc/57/10/28/1350571028.db2.gz AITAJCYKBGHJKV-UHFFFAOYSA-N -1 1 326.183 2.026 20 0 EEADMM Brc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001602671984 1350571031 /nfs/dbraw/zinc/57/10/31/1350571031.db2.gz AITAJCYKBGHJKV-UHFFFAOYSA-N -1 1 326.183 2.026 20 0 EEADMM O=C([O-])C1(C(=O)NC[C@H]2CCN2Cc2ccccc2)CC2(CCC2)C1 ZINC001608565245 1351716877 /nfs/dbraw/zinc/71/68/77/1351716877.db2.gz NOIODSFMUYJMBQ-MRXNPFEDSA-N -1 1 342.439 2.412 20 0 EEADMM C[C@@H](NCC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccsc1 ZINC001604331507 1350917749 /nfs/dbraw/zinc/91/77/49/1350917749.db2.gz BEGCGTRXKVNUKZ-MRVPVSSYSA-N -1 1 325.415 2.121 20 0 EEADMM CCCCC[C@H](C)NC(=O)CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001605255062 1351117394 /nfs/dbraw/zinc/11/73/94/1351117394.db2.gz LTNQUUFMZBJJSU-XFIYOXNOSA-N -1 1 340.464 2.166 20 0 EEADMM CCc1nc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)sc1C(=O)[O-] ZINC001605854451 1351237420 /nfs/dbraw/zinc/23/74/20/1351237420.db2.gz ZMHHEYSREBSTGJ-CPCISQLKSA-N -1 1 334.401 2.431 20 0 EEADMM CCc1nc(NC(=O)c2cc(Br)n[nH]2)sc1C(=O)[O-] ZINC001605855023 1351237956 /nfs/dbraw/zinc/23/79/56/1351237956.db2.gz MLRXHQKWRZKVCQ-UHFFFAOYSA-N -1 1 345.178 2.142 20 0 EEADMM COc1ccc2c(C)c(CCC(=O)Nc3c[n-][nH]c3=O)c(=O)oc2c1 ZINC001306848243 1331491120 /nfs/dbraw/zinc/49/11/20/1331491120.db2.gz FQYJMPUDSPNQEH-UHFFFAOYSA-N -1 1 343.339 2.110 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1O)NC(=O)c1ccc(O)c(Cl)c1 ZINC001608402601 1351688130 /nfs/dbraw/zinc/68/81/30/1351688130.db2.gz VHSWCUXSMAWSEX-LBPRGKRZSA-N -1 1 335.743 2.177 20 0 EEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCN1CC[C@H](F)C1 ZINC001608705907 1351745279 /nfs/dbraw/zinc/74/52/79/1351745279.db2.gz YSTIZZSTKGWEHT-JKSUJKDBSA-N -1 1 336.407 2.013 20 0 EEADMM O=C([O-])CCN1CCC[C@H](N2CCC(CC(F)(F)F)CC2)C1=O ZINC001608725733 1351750352 /nfs/dbraw/zinc/75/03/52/1351750352.db2.gz SONDOXHKYSFQSS-LBPRGKRZSA-N -1 1 336.354 2.117 20 0 EEADMM O=C([O-])CN(C(=O)c1ncc(Br)cc1O)C1CCCC1 ZINC001608744084 1351754314 /nfs/dbraw/zinc/75/43/14/1351754314.db2.gz YEWPQLOFVTZAPR-UHFFFAOYSA-N -1 1 343.177 2.019 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)/C=C\c2ccccc2Cl)nn1 ZINC001608905136 1351790817 /nfs/dbraw/zinc/79/08/17/1351790817.db2.gz BKTRCWKSOMZWIM-FPLPWBNLSA-N -1 1 339.760 2.241 20 0 EEADMM Brc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001609018061 1351815561 /nfs/dbraw/zinc/81/55/61/1351815561.db2.gz XWXXJPSFCVMWLF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001609018061 1351815563 /nfs/dbraw/zinc/81/55/63/1351815563.db2.gz XWXXJPSFCVMWLF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c2ccc(F)cc2n1 ZINC001321367199 1333087090 /nfs/dbraw/zinc/08/70/90/1333087090.db2.gz UUFQJOALOUGDNP-SECBINFHSA-N -1 1 328.351 2.071 20 0 EEADMM CC(C)(c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC001609085509 1351836492 /nfs/dbraw/zinc/83/64/92/1351836492.db2.gz CPHXCWWEWGYBFW-UHFFFAOYSA-N -1 1 343.412 2.112 20 0 EEADMM CC(C)(c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC001609085509 1351836496 /nfs/dbraw/zinc/83/64/96/1351836496.db2.gz CPHXCWWEWGYBFW-UHFFFAOYSA-N -1 1 343.412 2.112 20 0 EEADMM O=C(NCCOc1ccc2c(c1)CCC2)C(=O)c1ccc([O-])cc1 ZINC001322807449 1333330941 /nfs/dbraw/zinc/33/09/41/1333330941.db2.gz TYZRZYRVKBRZMX-UHFFFAOYSA-N -1 1 325.364 2.259 20 0 EEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324075794 1333602855 /nfs/dbraw/zinc/60/28/55/1333602855.db2.gz JZPGANHDQPTLRY-UHFFFAOYSA-N -1 1 339.229 2.027 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001325117153 1333831688 /nfs/dbraw/zinc/83/16/88/1333831688.db2.gz HPVADRRXJPCAQC-UHFFFAOYSA-N -1 1 330.417 2.301 20 0 EEADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1c[n-][nH]c1=O ZINC001413847197 1333855032 /nfs/dbraw/zinc/85/50/32/1333855032.db2.gz PFGLDUSTVJWQBH-ZCFIWIBFSA-N -1 1 344.140 2.423 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609178973 1351878670 /nfs/dbraw/zinc/87/86/70/1351878670.db2.gz ISPQPGBGJVZSAO-PSLIRLAXSA-N -1 1 339.330 2.258 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609178973 1351878673 /nfs/dbraw/zinc/87/86/73/1351878673.db2.gz ISPQPGBGJVZSAO-PSLIRLAXSA-N -1 1 339.330 2.258 20 0 EEADMM CCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001609204911 1351890481 /nfs/dbraw/zinc/89/04/81/1351890481.db2.gz SEAPMKARJFMICT-JTQLQIEISA-N -1 1 328.376 2.477 20 0 EEADMM CCC[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001609204911 1351890486 /nfs/dbraw/zinc/89/04/86/1351890486.db2.gz SEAPMKARJFMICT-JTQLQIEISA-N -1 1 328.376 2.477 20 0 EEADMM CCCCc1cnc(NC(=O)c2csc(-c3nn[n-]n3)c2)nc1 ZINC001609211381 1351893442 /nfs/dbraw/zinc/89/34/42/1351893442.db2.gz AJOKDEHRAUOGTH-UHFFFAOYSA-N -1 1 329.389 2.313 20 0 EEADMM COC(=O)[C@H](CC(C)(C)C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609293138 1351923422 /nfs/dbraw/zinc/92/34/22/1351923422.db2.gz JTWARLUMPSPPBU-VIFPVBQESA-N -1 1 338.799 2.305 20 0 EEADMM COC(=O)[C@H](CC(C)(C)C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609293138 1351923424 /nfs/dbraw/zinc/92/34/24/1351923424.db2.gz JTWARLUMPSPPBU-VIFPVBQESA-N -1 1 338.799 2.305 20 0 EEADMM CO[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1Cl ZINC001609311145 1351928449 /nfs/dbraw/zinc/92/84/49/1351928449.db2.gz UNWMMFRGCVTISW-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1Cl ZINC001609311145 1351928451 /nfs/dbraw/zinc/92/84/51/1351928451.db2.gz UNWMMFRGCVTISW-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM Cc1nc(C(=O)OCC(=O)c2ccc([O-])cc2O)c2ccccn12 ZINC001329381482 1334637279 /nfs/dbraw/zinc/63/72/79/1334637279.db2.gz ZLGOECHZHHCNGW-UHFFFAOYSA-N -1 1 326.308 2.094 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1F ZINC001609352705 1351943245 /nfs/dbraw/zinc/94/32/45/1351943245.db2.gz NHFGKPLWDSZPMC-MRVPVSSYSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1F ZINC001609352705 1351943246 /nfs/dbraw/zinc/94/32/46/1351943246.db2.gz NHFGKPLWDSZPMC-MRVPVSSYSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ccccc1C1(NC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001609363494 1351947278 /nfs/dbraw/zinc/94/72/78/1351947278.db2.gz FFNCZAAIFCFBRK-UHFFFAOYSA-N -1 1 341.396 2.356 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCOc3c(F)cccc32)n1 ZINC001609392271 1351957511 /nfs/dbraw/zinc/95/75/11/1351957511.db2.gz KUJDDVFJAOQBPP-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCOc3c(F)cccc32)n1 ZINC001609392271 1351957513 /nfs/dbraw/zinc/95/75/13/1351957513.db2.gz KUJDDVFJAOQBPP-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1csc(CCNc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001609442383 1351979360 /nfs/dbraw/zinc/97/93/60/1351979360.db2.gz HARXJFYCKRNWTA-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1csc(CCNc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001609442383 1351979362 /nfs/dbraw/zinc/97/93/62/1351979362.db2.gz HARXJFYCKRNWTA-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nsc(N2CCO[C@H](c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC001609465701 1351987490 /nfs/dbraw/zinc/98/74/90/1351987490.db2.gz YOMFXZODQPAHIW-LBPRGKRZSA-N -1 1 346.391 2.349 20 0 EEADMM Cc1nsc(N2CCc3ccc(F)c(F)c3C2)c1-c1nn[n-]n1 ZINC001609465392 1351988177 /nfs/dbraw/zinc/98/81/77/1351988177.db2.gz SNIULWDMWMSRLL-UHFFFAOYSA-N -1 1 334.355 2.473 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC001609467258 1351988936 /nfs/dbraw/zinc/98/89/36/1351988936.db2.gz ZNWSFBRFRQWIFE-MPEURRAXSA-N -1 1 327.388 2.419 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC001609467258 1351988939 /nfs/dbraw/zinc/98/89/39/1351988939.db2.gz ZNWSFBRFRQWIFE-MPEURRAXSA-N -1 1 327.388 2.419 20 0 EEADMM Clc1ccc(N2CCC=C(Br)C2)nc1-c1nnn[n-]1 ZINC001609473041 1351990215 /nfs/dbraw/zinc/99/02/15/1351990215.db2.gz DBFZBLWCXJBCAH-UHFFFAOYSA-N -1 1 341.600 2.404 20 0 EEADMM Clc1ccc(N2CCC=C(Br)C2)nc1-c1nn[n-]n1 ZINC001609473041 1351990217 /nfs/dbraw/zinc/99/02/17/1351990217.db2.gz DBFZBLWCXJBCAH-UHFFFAOYSA-N -1 1 341.600 2.404 20 0 EEADMM Clc1nsc(Sc2nc3c([nH]2)CCC3)c1-c1nnn[n-]1 ZINC001609474698 1351991825 /nfs/dbraw/zinc/99/18/25/1351991825.db2.gz NZAJKFGTXUBHRK-UHFFFAOYSA-N -1 1 325.810 2.340 20 0 EEADMM Clc1nsc(Sc2nc3c([nH]2)CCC3)c1-c1nn[n-]n1 ZINC001609474698 1351991826 /nfs/dbraw/zinc/99/18/26/1351991826.db2.gz NZAJKFGTXUBHRK-UHFFFAOYSA-N -1 1 325.810 2.340 20 0 EEADMM Cn1cc([C@@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cn1 ZINC001609478666 1351992639 /nfs/dbraw/zinc/99/26/39/1351992639.db2.gz MUXHJWHDWMXIAM-INIZCTEOSA-N -1 1 335.371 2.072 20 0 EEADMM Cn1cc([C@@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cn1 ZINC001609478666 1351992641 /nfs/dbraw/zinc/99/26/41/1351992641.db2.gz MUXHJWHDWMXIAM-INIZCTEOSA-N -1 1 335.371 2.072 20 0 EEADMM Fc1ccccc1-n1ccc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609492217 1351997632 /nfs/dbraw/zinc/99/76/32/1351997632.db2.gz MNQYCJOICWTPED-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1ccccc1-n1ccc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609492217 1351997636 /nfs/dbraw/zinc/99/76/36/1351997636.db2.gz MNQYCJOICWTPED-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1ccnc(-c2nnn[n-]2)c1 ZINC001609545902 1352011736 /nfs/dbraw/zinc/01/17/36/1352011736.db2.gz SIJIVTZEJGSKCS-UHFFFAOYSA-N -1 1 338.415 2.064 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1ccnc(-c2nn[n-]n2)c1 ZINC001609545902 1352011737 /nfs/dbraw/zinc/01/17/37/1352011737.db2.gz SIJIVTZEJGSKCS-UHFFFAOYSA-N -1 1 338.415 2.064 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001609548754 1352012826 /nfs/dbraw/zinc/01/28/26/1352012826.db2.gz UUXDUFCBLBCYJR-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609548754 1352012829 /nfs/dbraw/zinc/01/28/29/1352012829.db2.gz UUXDUFCBLBCYJR-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C12CC(c3ccccc3)(C1)C2 ZINC001609567274 1352018649 /nfs/dbraw/zinc/01/86/49/1352018649.db2.gz ZGSICMUBFSHBMH-UHFFFAOYSA-N -1 1 332.367 2.322 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C12CC(c3ccccc3)(C1)C2 ZINC001609567274 1352018652 /nfs/dbraw/zinc/01/86/52/1352018652.db2.gz ZGSICMUBFSHBMH-UHFFFAOYSA-N -1 1 332.367 2.322 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC001609584624 1352027213 /nfs/dbraw/zinc/02/72/13/1352027213.db2.gz 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/nfs/dbraw/zinc/22/70/36/1352227036.db2.gz XIVAASBKWGARKV-IAQYHMDHSA-N -1 1 335.400 2.309 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccsc1C ZINC001416209507 1339116256 /nfs/dbraw/zinc/11/62/56/1339116256.db2.gz PRZKULANFWSYFB-CYBMUJFWSA-N -1 1 347.440 2.024 20 0 EEADMM CC[C@H](CNC(=O)c1cc(C)ccc1C)NC(=O)c1ncccc1[O-] ZINC001416299240 1339132345 /nfs/dbraw/zinc/13/23/45/1339132345.db2.gz LIZRQMXKCHNMCB-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM NC(=O)CC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001610637215 1352256766 /nfs/dbraw/zinc/25/67/66/1352256766.db2.gz MWFDXMKHEBYDPW-CQSZACIVSA-N -1 1 328.771 2.192 20 0 EEADMM C[C@H](CN(C)C(=O)C1(F)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001427714148 1339377996 /nfs/dbraw/zinc/37/79/96/1339377996.db2.gz NUDMVAVCQYXXEF-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM O=C([O-])c1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001610706786 1352262789 /nfs/dbraw/zinc/26/27/89/1352262789.db2.gz QFWIOBWSTAKJGT-AWEZNQCLSA-N -1 1 337.339 2.414 20 0 EEADMM O=C([O-])C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001610763451 1352270556 /nfs/dbraw/zinc/27/05/56/1352270556.db2.gz QKZHMTNCZDYUOB-LLVKDONJSA-N -1 1 328.315 2.166 20 0 EEADMM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001610763451 1352270559 /nfs/dbraw/zinc/27/05/59/1352270559.db2.gz QKZHMTNCZDYUOB-LLVKDONJSA-N -1 1 328.315 2.166 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)C1C(C)(C)C1(C)C ZINC001428562375 1339570620 /nfs/dbraw/zinc/57/06/20/1339570620.db2.gz JBAIYXDVOOVYEX-NWDGAFQWSA-N -1 1 347.459 2.483 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1Cl ZINC001610827174 1352281464 /nfs/dbraw/zinc/28/14/64/1352281464.db2.gz VWMUVQFDCUVPBG-AWEZNQCLSA-N -1 1 338.835 2.335 20 0 EEADMM CC(C)(C)CC(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001432635925 1341348448 /nfs/dbraw/zinc/34/84/48/1341348448.db2.gz FGYCYTPMKIVGAM-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@@H](CNC(=O)CC(C1CC1)C1CC1)CNC(=O)c1ncccc1[O-] ZINC001432961153 1341446540 /nfs/dbraw/zinc/44/65/40/1341446540.db2.gz MKQIPRCFXGJYGH-LBPRGKRZSA-N -1 1 345.443 2.096 20 0 EEADMM CCCC(=O)N[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)CC(C)C ZINC001433001295 1341460774 /nfs/dbraw/zinc/46/07/74/1341460774.db2.gz CZRFFDFDCXGJDC-ZDUSSCGKSA-N -1 1 348.447 2.120 20 0 EEADMM CCC[C@H](NC(=O)c1oc(C2CC2)nc1C(F)F)c1nn[n-]n1 ZINC001433761919 1341681488 /nfs/dbraw/zinc/68/14/88/1341681488.db2.gz URVJQTWFPHCFTE-ZETCQYMHSA-N -1 1 326.307 2.274 20 0 EEADMM Cc1nnc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])[nH]1 ZINC001434406246 1341839372 /nfs/dbraw/zinc/83/93/72/1341839372.db2.gz FKMSAZZYWXHIMU-UHFFFAOYSA-N -1 1 347.375 2.096 20 0 EEADMM COc1cccnc1CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130402 1342541716 /nfs/dbraw/zinc/54/17/16/1342541716.db2.gz BASBLSYIBFVYOZ-UHFFFAOYSA-N -1 1 339.355 2.303 20 0 EEADMM CC1(C)Cc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)ccc2O1 ZINC001575752150 1343870265 /nfs/dbraw/zinc/87/02/65/1343870265.db2.gz WATIQHHGQOTALJ-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC1(C)Cc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)ccc2O1 ZINC001575752150 1343870268 /nfs/dbraw/zinc/87/02/68/1343870268.db2.gz WATIQHHGQOTALJ-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM COC(=O)Nc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001579466448 1344385698 /nfs/dbraw/zinc/38/56/98/1344385698.db2.gz VBXMMNFVORYTFA-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COC(=O)Nc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001579466448 1344385701 /nfs/dbraw/zinc/38/57/01/1344385701.db2.gz VBXMMNFVORYTFA-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COc1cccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001580066296 1344461893 /nfs/dbraw/zinc/46/18/93/1344461893.db2.gz RJZRBVQYMRBHMT-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1cccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001580066296 1344461896 /nfs/dbraw/zinc/46/18/96/1344461896.db2.gz RJZRBVQYMRBHMT-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ncc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1-c1nn[n-]n1 ZINC001580133292 1344478054 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EEADMM Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cnc1C(F)(F)F ZINC001580985533 1344579459 /nfs/dbraw/zinc/57/94/59/1344579459.db2.gz KWBXHNRAHIBACB-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1ccnc(NC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001581280638 1344613758 /nfs/dbraw/zinc/61/37/58/1344613758.db2.gz DFRYGCAJQIBFDQ-UHFFFAOYSA-N -1 1 345.313 2.170 20 0 EEADMM Cc1ccnc(NC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001581280638 1344613763 /nfs/dbraw/zinc/61/37/63/1344613763.db2.gz DFRYGCAJQIBFDQ-UHFFFAOYSA-N -1 1 345.313 2.170 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001582338148 1344736699 /nfs/dbraw/zinc/73/66/99/1344736699.db2.gz XWKVXCHKXXLXAP-ZWNOBZJWSA-N -1 1 345.359 2.130 20 0 EEADMM Brc1sccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001588324593 1348887391 /nfs/dbraw/zinc/88/73/91/1348887391.db2.gz DIPYYMMQFHIBLH-UHFFFAOYSA-N -1 1 337.206 2.120 20 0 EEADMM Brc1sccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001588324593 1348887396 /nfs/dbraw/zinc/88/73/96/1348887396.db2.gz DIPYYMMQFHIBLH-UHFFFAOYSA-N -1 1 337.206 2.120 20 0 EEADMM CC(C)(C)C1=CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001589096714 1348958422 /nfs/dbraw/zinc/95/84/22/1348958422.db2.gz PWRSTVLJMQXTOC-UHFFFAOYSA-N -1 1 347.448 2.211 20 0 EEADMM CC(C)(C)C1=CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001589096714 1348958424 /nfs/dbraw/zinc/95/84/24/1348958424.db2.gz PWRSTVLJMQXTOC-UHFFFAOYSA-N -1 1 347.448 2.211 20 0 EEADMM CC(C)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccncc1 ZINC001589288900 1348979743 /nfs/dbraw/zinc/97/97/43/1348979743.db2.gz UDBCLHCUBDORSL-UHFFFAOYSA-N -1 1 336.403 2.319 20 0 EEADMM CC(C)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccncc1 ZINC001589288900 1348979746 /nfs/dbraw/zinc/97/97/46/1348979746.db2.gz UDBCLHCUBDORSL-UHFFFAOYSA-N -1 1 336.403 2.319 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001589339165 1348985156 /nfs/dbraw/zinc/98/51/56/1348985156.db2.gz STEWVTGQXGSXJZ-UHFFFAOYSA-N -1 1 329.385 2.408 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001589339165 1348985158 /nfs/dbraw/zinc/98/51/58/1348985158.db2.gz STEWVTGQXGSXJZ-UHFFFAOYSA-N -1 1 329.385 2.408 20 0 EEADMM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589461904 1348992202 /nfs/dbraw/zinc/99/22/02/1348992202.db2.gz SJCMOAYWVHRZCW-CQSZACIVSA-N -1 1 325.372 2.457 20 0 EEADMM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589461904 1348992204 /nfs/dbraw/zinc/99/22/04/1348992204.db2.gz SJCMOAYWVHRZCW-CQSZACIVSA-N -1 1 325.372 2.457 20 0 EEADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589511024 1348999386 /nfs/dbraw/zinc/99/93/86/1348999386.db2.gz SDVGBABDMROXGX-BXUZGUMPSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589511024 1348999389 /nfs/dbraw/zinc/99/93/89/1348999389.db2.gz SDVGBABDMROXGX-BXUZGUMPSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)Cc1noc(CSCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001589665002 1349018153 /nfs/dbraw/zinc/01/81/53/1349018153.db2.gz HCJUQGNWSLVRSW-UHFFFAOYSA-N -1 1 337.434 2.338 20 0 EEADMM CC(C)Cc1noc(CSCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001589665002 1349018156 /nfs/dbraw/zinc/01/81/56/1349018156.db2.gz HCJUQGNWSLVRSW-UHFFFAOYSA-N -1 1 337.434 2.338 20 0 EEADMM CC(C)Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CC[C@H](C)C1 ZINC001589668572 1349018417 /nfs/dbraw/zinc/01/84/17/1349018417.db2.gz WNIYONWPEOCSHP-NSHDSACASA-N -1 1 342.407 2.220 20 0 EEADMM CC(C)Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CC[C@H](C)C1 ZINC001589668572 1349018422 /nfs/dbraw/zinc/01/84/22/1349018422.db2.gz WNIYONWPEOCSHP-NSHDSACASA-N -1 1 342.407 2.220 20 0 EEADMM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589707882 1349022220 /nfs/dbraw/zinc/02/22/20/1349022220.db2.gz STSURUVAIFIWBW-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589707882 1349022226 /nfs/dbraw/zinc/02/22/26/1349022226.db2.gz STSURUVAIFIWBW-UHFFFAOYSA-N -1 1 340.362 2.452 20 0 EEADMM C[C@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001589794626 1349043852 /nfs/dbraw/zinc/04/38/52/1349043852.db2.gz PIBOALLMDRFZLI-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1N(C)C ZINC001589985233 1349092051 /nfs/dbraw/zinc/09/20/51/1349092051.db2.gz FXPKEVIJEPCJHC-JTQLQIEISA-N -1 1 327.367 2.062 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1N(C)C ZINC001589985233 1349092057 /nfs/dbraw/zinc/09/20/57/1349092057.db2.gz FXPKEVIJEPCJHC-JTQLQIEISA-N -1 1 327.367 2.062 20 0 EEADMM C[C@@](O)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccsc1 ZINC001589991390 1349097521 /nfs/dbraw/zinc/09/75/21/1349097521.db2.gz PBACRAWKVSVHPK-LLVKDONJSA-N -1 1 342.837 2.358 20 0 EEADMM C[C@]1(C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001590072951 1349139104 /nfs/dbraw/zinc/13/91/04/1349139104.db2.gz KCBNNXGYXHPRTD-LLVKDONJSA-N -1 1 333.339 2.081 20 0 EEADMM CC1(C)Cc2cc(NC(=O)c3ccc(-c4nn[n-]n4)o3)ccc2O1 ZINC001590112780 1349159341 /nfs/dbraw/zinc/15/93/41/1349159341.db2.gz GMYNJWQGNIIHTF-UHFFFAOYSA-N -1 1 325.328 2.426 20 0 EEADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590139807 1349172513 /nfs/dbraw/zinc/17/25/13/1349172513.db2.gz MNSACCBOYSORRQ-LJQANCHMSA-N -1 1 348.410 2.499 20 0 EEADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590139807 1349172515 /nfs/dbraw/zinc/17/25/15/1349172515.db2.gz MNSACCBOYSORRQ-LJQANCHMSA-N -1 1 348.410 2.499 20 0 EEADMM CC1(c2nccc(NC(=O)c3csc(-c4nn[n-]n4)c3)n2)CC1 ZINC001590152697 1349175083 /nfs/dbraw/zinc/17/50/83/1349175083.db2.gz KIJNXZZFHLRQQC-UHFFFAOYSA-N -1 1 327.373 2.022 20 0 EEADMM CC1(c2ccccc2)CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001590154154 1349177361 /nfs/dbraw/zinc/17/73/61/1349177361.db2.gz UQMGFTLGLIYIBR-UHFFFAOYSA-N -1 1 335.415 2.391 20 0 EEADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590221308 1349207304 /nfs/dbraw/zinc/20/73/04/1349207304.db2.gz UCSFMSFBXRNFJF-GXSJLCMTSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590221308 1349207310 /nfs/dbraw/zinc/20/73/10/1349207310.db2.gz UCSFMSFBXRNFJF-GXSJLCMTSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590269784 1349240867 /nfs/dbraw/zinc/24/08/67/1349240867.db2.gz UKACQZNCFUUFRB-LLVKDONJSA-N -1 1 338.371 2.335 20 0 EEADMM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590269784 1349240874 /nfs/dbraw/zinc/24/08/74/1349240874.db2.gz UKACQZNCFUUFRB-LLVKDONJSA-N -1 1 338.371 2.335 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H](c2ccco2)C1 ZINC001590269934 1349240885 /nfs/dbraw/zinc/24/08/85/1349240885.db2.gz IKTPZILHLWMCSY-SMDDNHRTSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccco2)C1 ZINC001590269934 1349240892 /nfs/dbraw/zinc/24/08/92/1349240892.db2.gz IKTPZILHLWMCSY-SMDDNHRTSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CC2(CCCCC2)O1 ZINC001590301065 1349252114 /nfs/dbraw/zinc/25/21/14/1349252114.db2.gz POWCAUICZGCNNY-NSHDSACASA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590339205 1349275164 /nfs/dbraw/zinc/27/51/64/1349275164.db2.gz WNXBDVFAWLVEQV-MRVPVSSYSA-N -1 1 329.314 2.059 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001590471789 1349346822 /nfs/dbraw/zinc/34/68/22/1349346822.db2.gz NUHOHQNSEJYJBG-SECBINFHSA-N -1 1 330.314 2.242 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001590471789 1349346827 /nfs/dbraw/zinc/34/68/27/1349346827.db2.gz NUHOHQNSEJYJBG-SECBINFHSA-N -1 1 330.314 2.242 20 0 EEADMM CCc1nc(NC[C@H](C)c2c(C)noc2C)cc(-c2nnn[n-]2)n1 ZINC001590917739 1349413164 /nfs/dbraw/zinc/41/31/64/1349413164.db2.gz ZTSLYGBPSFDYPD-QMMMGPOBSA-N -1 1 328.380 2.040 20 0 EEADMM CCc1nc(NC[C@H](C)c2c(C)noc2C)cc(-c2nn[n-]n2)n1 ZINC001590917739 1349413168 /nfs/dbraw/zinc/41/31/68/1349413168.db2.gz ZTSLYGBPSFDYPD-QMMMGPOBSA-N -1 1 328.380 2.040 20 0 EEADMM CN(C1(C)CCCC1)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001591038437 1349433736 /nfs/dbraw/zinc/43/37/36/1349433736.db2.gz UDOAVVPMKZTZRN-UHFFFAOYSA-N -1 1 341.462 2.023 20 0 EEADMM CO[C@@H](C)c1nc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cs1 ZINC001591324793 1349462513 /nfs/dbraw/zinc/46/25/13/1349462513.db2.gz DWEYVQDKTWZGNJ-QMMMGPOBSA-N -1 1 349.372 2.289 20 0 EEADMM CO[C@@H](C)c1nc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001591324793 1349462517 /nfs/dbraw/zinc/46/25/17/1349462517.db2.gz DWEYVQDKTWZGNJ-QMMMGPOBSA-N -1 1 349.372 2.289 20 0 EEADMM CO[C@H]1CCC[C@@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591355235 1349470411 /nfs/dbraw/zinc/47/04/11/1349470411.db2.gz NGAGMZFPUCDYNT-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM COCCn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1 ZINC001591448821 1349487601 /nfs/dbraw/zinc/48/76/01/1349487601.db2.gz CJGKMPCLVHSDPE-UHFFFAOYSA-N -1 1 337.792 2.057 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001591620164 1349516824 /nfs/dbraw/zinc/51/68/24/1349516824.db2.gz AECUQHLDJAZUMO-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM CSC(C)(C)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591685070 1349529093 /nfs/dbraw/zinc/52/90/93/1349529093.db2.gz QZYOMNLHVRAQAY-UHFFFAOYSA-N -1 1 347.857 2.240 20 0 EEADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591718010 1349535318 /nfs/dbraw/zinc/53/53/18/1349535318.db2.gz WRIQAOZGNNDKGK-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591718010 1349535328 /nfs/dbraw/zinc/53/53/28/1349535328.db2.gz WRIQAOZGNNDKGK-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM Cc1cc(C)c(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC001591946197 1349565390 /nfs/dbraw/zinc/56/53/90/1349565390.db2.gz DJIBMPNJGCRPGK-UHFFFAOYSA-N -1 1 336.399 2.046 20 0 EEADMM Cc1cc(C)c(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC001591946197 1349565394 /nfs/dbraw/zinc/56/53/94/1349565394.db2.gz DJIBMPNJGCRPGK-UHFFFAOYSA-N -1 1 336.399 2.046 20 0 EEADMM Cc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc(C)c1OC(F)F ZINC001591969981 1349571849 /nfs/dbraw/zinc/57/18/49/1349571849.db2.gz ZTDCBGNBOHFWMK-UHFFFAOYSA-N -1 1 335.318 2.420 20 0 EEADMM Cc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC001591969981 1349571853 /nfs/dbraw/zinc/57/18/53/1349571853.db2.gz ZTDCBGNBOHFWMK-UHFFFAOYSA-N -1 1 335.318 2.420 20 0 EEADMM Cc1cc(F)ccc1[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001591992616 1349578586 /nfs/dbraw/zinc/57/85/86/1349578586.db2.gz SAZNMZULNIKZMZ-CQSZACIVSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1cc(F)ccc1[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001591992616 1349578590 /nfs/dbraw/zinc/57/85/90/1349578590.db2.gz SAZNMZULNIKZMZ-CQSZACIVSA-N -1 1 325.351 2.446 20 0 EEADMM Cc1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592044721 1349586958 /nfs/dbraw/zinc/58/69/58/1349586958.db2.gz RIRCOXLGKAAWBG-GXSJLCMTSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cc(NC[C@@H]2CCC[C@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592044721 1349586961 /nfs/dbraw/zinc/58/69/61/1349586961.db2.gz RIRCOXLGKAAWBG-GXSJLCMTSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC001592191618 1349602986 /nfs/dbraw/zinc/60/29/86/1349602986.db2.gz XZCXMTZQYGCDHJ-UHFFFAOYSA-N -1 1 340.748 2.189 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1C=CCCC1 ZINC001592504979 1349642578 /nfs/dbraw/zinc/64/25/78/1349642578.db2.gz VTOGKNVTPNGOID-GFCCVEGCSA-N -1 1 338.371 2.397 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1C=CCCC1 ZINC001592504979 1349642580 /nfs/dbraw/zinc/64/25/80/1349642580.db2.gz VTOGKNVTPNGOID-GFCCVEGCSA-N -1 1 338.371 2.397 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](C)C1 ZINC001592504511 1349642590 /nfs/dbraw/zinc/64/25/90/1349642590.db2.gz BWVSPLGJDISJLT-SNVBAGLBSA-N -1 1 326.360 2.041 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](C)C1 ZINC001592504511 1349642592 /nfs/dbraw/zinc/64/25/92/1349642592.db2.gz BWVSPLGJDISJLT-SNVBAGLBSA-N -1 1 326.360 2.041 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1-c1nnn[n-]1 ZINC001592515548 1349644563 /nfs/dbraw/zinc/64/45/63/1349644563.db2.gz GQGZIIGSQQMRMN-PWSUYJOCSA-N -1 1 346.435 2.379 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592515548 1349644566 /nfs/dbraw/zinc/64/45/66/1349644566.db2.gz GQGZIIGSQQMRMN-PWSUYJOCSA-N -1 1 346.435 2.379 20 0 EEADMM Clc1sc(N2CCC(OCC3CC3)CC2)nc1-c1nn[n-]n1 ZINC001592541509 1349653605 /nfs/dbraw/zinc/65/36/05/1349653605.db2.gz AUCRPJFVUNEUPR-UHFFFAOYSA-N -1 1 340.840 2.372 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](C3CCC3)CC2)n1 ZINC001592559413 1349657753 /nfs/dbraw/zinc/65/77/53/1349657753.db2.gz ODIRAWJYSOKLMR-LBPRGKRZSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](C3CCC3)CC2)n1 ZINC001592559413 1349657757 /nfs/dbraw/zinc/65/77/57/1349657757.db2.gz ODIRAWJYSOKLMR-LBPRGKRZSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1nc(C(C)(C)C)cc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001592593825 1349664963 /nfs/dbraw/zinc/66/49/63/1349664963.db2.gz NBFPEPPIBAILSR-UHFFFAOYSA-N -1 1 346.416 2.316 20 0 EEADMM FC(F)(F)COCCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592614581 1349671734 /nfs/dbraw/zinc/67/17/34/1349671734.db2.gz QHFPHFFNYGJQTN-UHFFFAOYSA-N -1 1 342.734 2.358 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NCCOCC2CC2)c1 ZINC001592622329 1349676261 /nfs/dbraw/zinc/67/62/61/1349676261.db2.gz CEOQAIDRBRQUHI-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NCCOCC2CC2)c1 ZINC001592622329 1349676264 /nfs/dbraw/zinc/67/62/64/1349676264.db2.gz CEOQAIDRBRQUHI-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM Fc1cc(Oc2cncc(-c3nnn[n-]3)n2)ccc1Br ZINC001592644135 1349690084 /nfs/dbraw/zinc/69/00/84/1349690084.db2.gz QTWCCBLNIBJCMW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Oc2cncc(-c3nn[n-]n3)n2)ccc1Br ZINC001592644135 1349690087 /nfs/dbraw/zinc/69/00/87/1349690087.db2.gz QTWCCBLNIBJCMW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1F ZINC001592655404 1349700087 /nfs/dbraw/zinc/70/00/87/1349700087.db2.gz VYJFSDMJAZANRD-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1F ZINC001592655404 1349700091 /nfs/dbraw/zinc/70/00/91/1349700091.db2.gz VYJFSDMJAZANRD-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccccc1C=C1CCN(c2ncncc2-c2nn[n-]n2)CC1 ZINC001592659184 1349703267 /nfs/dbraw/zinc/70/32/67/1349703267.db2.gz VYNNZFBMBVVQMT-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Nc1c(Cl)cccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592754223 1349712241 /nfs/dbraw/zinc/71/22/41/1349712241.db2.gz DPPXKJICZLYPHH-UHFFFAOYSA-N -1 1 334.792 2.094 20 0 EEADMM O=C(CSCc1ccnc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001592903517 1349726577 /nfs/dbraw/zinc/72/65/77/1349726577.db2.gz WQUCIEBZINBZMA-UHFFFAOYSA-N -1 1 326.385 2.134 20 0 EEADMM O=C(CSCc1ccnc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001592903517 1349726580 /nfs/dbraw/zinc/72/65/80/1349726580.db2.gz WQUCIEBZINBZMA-UHFFFAOYSA-N -1 1 326.385 2.134 20 0 EEADMM O=C(N[C@H]1CCCC12CCCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001592976096 1349731036 /nfs/dbraw/zinc/73/10/36/1349731036.db2.gz AOZAZZKIPODDRT-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@H]1CCCC12CCCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001592976096 1349731039 /nfs/dbraw/zinc/73/10/39/1349731039.db2.gz AOZAZZKIPODDRT-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1nccc2ccccc21 ZINC001593137388 1349739644 /nfs/dbraw/zinc/73/96/44/1349739644.db2.gz ZRGUPFVWIXLNCI-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC(c2ccccc2)C1 ZINC001593137813 1349739932 /nfs/dbraw/zinc/73/99/32/1349739932.db2.gz VKWSNIRADMKBJF-UHFFFAOYSA-N -1 1 340.412 2.237 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593192567 1349745051 /nfs/dbraw/zinc/74/50/51/1349745051.db2.gz UCKZXNRALQNBFL-HAQNSBGRSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593192567 1349745055 /nfs/dbraw/zinc/74/50/55/1349745055.db2.gz UCKZXNRALQNBFL-HAQNSBGRSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC001593212382 1349747832 /nfs/dbraw/zinc/74/78/32/1349747832.db2.gz ULMJFMPEIHESDD-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1C1CCCC1 ZINC001593243551 1349748011 /nfs/dbraw/zinc/74/80/11/1349748011.db2.gz GMIWONUPJKODRE-ZDUSSCGKSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CCCC1 ZINC001593243551 1349748019 /nfs/dbraw/zinc/74/80/19/1349748019.db2.gz GMIWONUPJKODRE-ZDUSSCGKSA-N -1 1 327.392 2.448 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593255059 1349751558 /nfs/dbraw/zinc/75/15/58/1349751558.db2.gz BZBQFSNTXREHRT-VXGBXAGGSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593255059 1349751562 /nfs/dbraw/zinc/75/15/62/1349751562.db2.gz BZBQFSNTXREHRT-VXGBXAGGSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(OCc1ccc(-n2cccn2)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593298977 1349772253 /nfs/dbraw/zinc/77/22/53/1349772253.db2.gz NTTQFNYNQVRAEC-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(OCc1ccc(-n2cccn2)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593298977 1349772256 /nfs/dbraw/zinc/77/22/56/1349772256.db2.gz NTTQFNYNQVRAEC-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC[C@H](c2ccco2)C1 ZINC001593329869 1349782349 /nfs/dbraw/zinc/78/23/49/1349782349.db2.gz XSIPNCQZUQWGBI-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC[C@H](c2ccco2)C1 ZINC001593329869 1349782351 /nfs/dbraw/zinc/78/23/51/1349782351.db2.gz XSIPNCQZUQWGBI-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC001593338888 1349785045 /nfs/dbraw/zinc/78/50/45/1349785045.db2.gz JQNUFUNVKKNQOW-CYBMUJFWSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC001593338888 1349785054 /nfs/dbraw/zinc/78/50/54/1349785054.db2.gz JQNUFUNVKKNQOW-CYBMUJFWSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC[C@H](C2CCCCC2)C1 ZINC001593359003 1349789463 /nfs/dbraw/zinc/78/94/63/1349789463.db2.gz STAOWCPUSWAJDE-AWEZNQCLSA-N -1 1 326.404 2.304 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC[C@H](C2CCCCC2)C1 ZINC001593359003 1349789469 /nfs/dbraw/zinc/78/94/69/1349789469.db2.gz STAOWCPUSWAJDE-AWEZNQCLSA-N -1 1 326.404 2.304 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC001593492090 1349818503 /nfs/dbraw/zinc/81/85/03/1349818503.db2.gz BIEMSPDRFPVNKO-SIFUEBAJSA-N -1 1 348.410 2.164 20 0 EEADMM c1c(NC[C@@H]2CCOC3(CCC3)C2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543516 1349838354 /nfs/dbraw/zinc/83/83/54/1349838354.db2.gz RRCYZPPOKPXFJB-LLVKDONJSA-N -1 1 341.419 2.295 20 0 EEADMM c1c(NC[C@@H]2CCOC3(CCC3)C2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543516 1349838359 /nfs/dbraw/zinc/83/83/59/1349838359.db2.gz RRCYZPPOKPXFJB-LLVKDONJSA-N -1 1 341.419 2.295 20 0 EEADMM c1cc(NCc2csc(-c3nn[n-]n3)c2)n([C@H]2CCCOC2)n1 ZINC001593560401 1349849985 /nfs/dbraw/zinc/84/99/85/1349849985.db2.gz AGGVQOLEKLUVMY-NSHDSACASA-N -1 1 331.405 2.088 20 0 EEADMM c1sc(COc2ccc3c(c2)OCCCO3)nc1-c1nnn[n-]1 ZINC001593564235 1349851412 /nfs/dbraw/zinc/85/14/12/1349851412.db2.gz FWIVGDUYELCSTE-UHFFFAOYSA-N -1 1 331.357 2.064 20 0 EEADMM c1sc(COc2ccc3c(c2)OCCCO3)nc1-c1nn[n-]n1 ZINC001593564235 1349851414 /nfs/dbraw/zinc/85/14/14/1349851414.db2.gz FWIVGDUYELCSTE-UHFFFAOYSA-N -1 1 331.357 2.064 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001593570644 1349855327 /nfs/dbraw/zinc/85/53/27/1349855327.db2.gz JHKRSUULJHYJCF-GXTWGEPZSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001593570644 1349855330 /nfs/dbraw/zinc/85/53/30/1349855330.db2.gz JHKRSUULJHYJCF-GXTWGEPZSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1cnc(-c2nnn[n-]2)cn1 ZINC001593581052 1349861935 /nfs/dbraw/zinc/86/19/35/1349861935.db2.gz ZTUKFKONIJLBDG-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1cnc(-c2nn[n-]n2)cn1 ZINC001593581052 1349861941 /nfs/dbraw/zinc/86/19/41/1349861941.db2.gz ZTUKFKONIJLBDG-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM c1cnn(-c2ccc(CNc3n[nH]c(C4CC4)c3-c3nnn[n-]3)cc2)c1 ZINC001593589670 1349867886 /nfs/dbraw/zinc/86/78/86/1349867886.db2.gz KYUBBMITIMSYPV-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM c1cnn(-c2ccc(CNc3n[nH]c(C4CC4)c3-c3nn[n-]n3)cc2)c1 ZINC001593589670 1349867889 /nfs/dbraw/zinc/86/78/89/1349867889.db2.gz KYUBBMITIMSYPV-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM Cc1cc(CN[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)[nH]c1C(=O)[O-] ZINC001600208047 1349993313 /nfs/dbraw/zinc/99/33/13/1349993313.db2.gz ZHXLLCNYBYHXMF-IUODEOHRSA-N -1 1 327.384 2.305 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1C[C@H]2CSC[C@@]2(C)C1 ZINC001600356046 1350028475 /nfs/dbraw/zinc/02/84/75/1350028475.db2.gz RSBFCYVCAJCKIR-SUMWQHHRSA-N -1 1 334.441 2.317 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001600445893 1350053383 /nfs/dbraw/zinc/05/33/83/1350053383.db2.gz PSWYHZGMHNCUBW-SLEUVZQESA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)CO2 ZINC001600493647 1350064815 /nfs/dbraw/zinc/06/48/15/1350064815.db2.gz QNFFEAIQKOYRRO-PBHICJAKSA-N -1 1 343.379 2.156 20 0 EEADMM Cc1nc(C2CCN(CC(=O)c3cc(C(=O)[O-])[nH]c3C)CC2)[nH]c1C ZINC001600696408 1350117814 /nfs/dbraw/zinc/11/78/14/1350117814.db2.gz FQZQOAPGFNXOLG-UHFFFAOYSA-N -1 1 344.415 2.424 20 0 EEADMM Cc1oc2ccccc2c1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600857193 1350154086 /nfs/dbraw/zinc/15/40/86/1350154086.db2.gz BPEPKPISWQIHFT-LBPRGKRZSA-N -1 1 330.384 2.362 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H](O)COCC(C)C)nc1C(=O)[O-] ZINC001600881488 1350159244 /nfs/dbraw/zinc/15/92/44/1350159244.db2.gz FCCDIUGFUDNODX-STQMWFEESA-N -1 1 342.461 2.320 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H](O)CCOC(C)C)nc1C(=O)[O-] ZINC001600882380 1350159697 /nfs/dbraw/zinc/15/96/97/1350159697.db2.gz KUSNZCGLGSOVSJ-CHWSQXEVSA-N -1 1 342.461 2.463 20 0 EEADMM Cc1sc([C@@H]2CCCN2CCOC2CCOCC2)nc1C(=O)[O-] ZINC001600885075 1350160313 /nfs/dbraw/zinc/16/03/13/1350160313.db2.gz UPYQWOICSYYGIB-ZDUSSCGKSA-N -1 1 340.445 2.482 20 0 EEADMM Cn1c(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)ccc1C(=O)[O-] ZINC001600915235 1350167470 /nfs/dbraw/zinc/16/74/70/1350167470.db2.gz WMUWETCVIQTSHD-SWLSCSKDSA-N -1 1 349.431 2.165 20 0 EEADMM Cn1cc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1C(=O)[O-] ZINC001600951454 1350175404 /nfs/dbraw/zinc/17/54/04/1350175404.db2.gz HIXSPPDNRCIYLS-UHFFFAOYSA-N -1 1 347.440 2.179 20 0 EEADMM Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001600982741 1350182312 /nfs/dbraw/zinc/18/23/12/1350182312.db2.gz KJBAJGYKCXCSFG-BDUNBXCCSA-N -1 1 345.399 2.057 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)Cc2n[nH]c(C3CC3)n2)cc1 ZINC001601997345 1350413855 /nfs/dbraw/zinc/41/38/55/1350413855.db2.gz IZJYYOAAMMNJDT-UHFFFAOYSA-N -1 1 344.371 2.107 20 0 EEADMM O=C([O-])CN(C(=O)CSc1n[nH]c(=S)s1)C1CCCCC1 ZINC001602050763 1350427021 /nfs/dbraw/zinc/42/70/21/1350427021.db2.gz MFKGIKKIKMVFDJ-UHFFFAOYSA-N -1 1 347.487 2.165 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCN1CC[C@H](F)C1 ZINC001602174274 1350457929 /nfs/dbraw/zinc/45/79/29/1350457929.db2.gz NOHJFZDGVXDTGY-JYJNAYRXSA-N -1 1 334.391 2.237 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3ccc4scnc4c3)C2)nn1 ZINC001602495219 1350531605 /nfs/dbraw/zinc/53/16/05/1350531605.db2.gz PTWYJUNPRQOALL-LBPRGKRZSA-N -1 1 343.412 2.423 20 0 EEADMM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc4scnc4c3)C2)nn1 ZINC001602495219 1350531608 /nfs/dbraw/zinc/53/16/08/1350531608.db2.gz PTWYJUNPRQOALL-LBPRGKRZSA-N -1 1 343.412 2.423 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CCc3c(F)cccc3F)C2)nn1 ZINC001602494564 1350531907 /nfs/dbraw/zinc/53/19/07/1350531907.db2.gz HCUOGMUWVHVUHF-NSHDSACASA-N -1 1 336.342 2.134 20 0 EEADMM O=C([O-])c1sccc1C(=O)N1CCN[C@@H](Cc2ccccc2)C1 ZINC001602594659 1350553736 /nfs/dbraw/zinc/55/37/36/1350553736.db2.gz MDZNUXDLSUOQMW-ZDUSSCGKSA-N -1 1 330.409 2.103 20 0 EEADMM O=C([O-])c1cnoc1COC(=O)c1ccc(CN2CCCCC2)o1 ZINC001602618914 1350559134 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CCOc1cc(O)ccc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604450992 1350940457 /nfs/dbraw/zinc/94/04/57/1350940457.db2.gz ASEFSMKCFGGGAO-UHFFFAOYSA-N -1 1 343.318 2.362 20 0 EEADMM CCOc1cncc(COC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001604469840 1350944560 /nfs/dbraw/zinc/94/45/60/1350944560.db2.gz HVDDLMVUENNJNQ-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCOc1cncc(COC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001604469840 1350944562 /nfs/dbraw/zinc/94/45/62/1350944562.db2.gz HVDDLMVUENNJNQ-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCc1cc(Oc2cccnc2-c2nnn[n-]2)nc(-c2ccncc2)n1 ZINC001604517966 1350953499 /nfs/dbraw/zinc/95/34/99/1350953499.db2.gz VQNVEACJORPGPG-UHFFFAOYSA-N -1 1 346.354 2.468 20 0 EEADMM CCc1cc(Oc2cccnc2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC001604517966 1350953500 /nfs/dbraw/zinc/95/35/00/1350953500.db2.gz VQNVEACJORPGPG-UHFFFAOYSA-N -1 1 346.354 2.468 20 0 EEADMM CN(C)c1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001604704295 1350988578 /nfs/dbraw/zinc/98/85/78/1350988578.db2.gz JBYDZPQTUDAGIG-UHFFFAOYSA-N 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OEQHFCSHGFNGAF-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCc2ccccc2Cl)nn1C ZINC001605465638 1351163960 /nfs/dbraw/zinc/16/39/60/1351163960.db2.gz OEQHFCSHGFNGAF-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1cnc([C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)s1 ZINC001605568702 1351191563 /nfs/dbraw/zinc/19/15/63/1351191563.db2.gz ONEPNXRQZGWTOC-NSHDSACASA-N -1 1 328.405 2.293 20 0 EEADMM Cc1cnc([C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)s1 ZINC001605568702 1351191567 /nfs/dbraw/zinc/19/15/67/1351191567.db2.gz ONEPNXRQZGWTOC-NSHDSACASA-N -1 1 328.405 2.293 20 0 EEADMM Cc1cc(C)nc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001605651406 1351210291 /nfs/dbraw/zinc/21/02/91/1351210291.db2.gz PQKYBTDOAJJVSO-UHFFFAOYSA-N -1 1 330.298 2.409 20 0 EEADMM Cc1cc(C)nc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001605651406 1351210293 /nfs/dbraw/zinc/21/02/93/1351210293.db2.gz PQKYBTDOAJJVSO-UHFFFAOYSA-N -1 1 330.298 2.409 20 0 EEADMM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc(C)c1O ZINC001605655918 1351210947 /nfs/dbraw/zinc/21/09/47/1351210947.db2.gz JMKOBCCRISYORH-UHFFFAOYSA-N -1 1 343.412 2.223 20 0 EEADMM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc(C)c1O ZINC001605655918 1351210949 /nfs/dbraw/zinc/21/09/49/1351210949.db2.gz JMKOBCCRISYORH-UHFFFAOYSA-N -1 1 343.412 2.223 20 0 EEADMM Cc1[nH]nc(NC(=O)CSc2cc(C)ccc2C)c1-c1nn[n-]n1 ZINC001605833334 1351231767 /nfs/dbraw/zinc/23/17/67/1351231767.db2.gz XSXNQDLORLGGGM-UHFFFAOYSA-N -1 1 343.416 2.246 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(C)nc3-c3nnn[n-]3)CC2)cc1 ZINC001605867717 1351242137 /nfs/dbraw/zinc/24/21/37/1351242137.db2.gz VHTAENWNBADHRS-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(C)nc3-c3nn[n-]n3)CC2)cc1 ZINC001605867717 1351242143 /nfs/dbraw/zinc/24/21/43/1351242143.db2.gz VHTAENWNBADHRS-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2coc3ccc(C)cc23)c1-c1nn[n-]n1 ZINC001605895596 1351249257 /nfs/dbraw/zinc/24/92/57/1351249257.db2.gz YWEAACZGHFRNKG-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1-c1nnn[n-]1 ZINC001605921703 1351254556 /nfs/dbraw/zinc/25/45/56/1351254556.db2.gz QMTKTXYBPGQFJY-SNVBAGLBSA-N -1 1 344.400 2.346 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001605921703 1351254560 /nfs/dbraw/zinc/25/45/60/1351254560.db2.gz QMTKTXYBPGQFJY-SNVBAGLBSA-N -1 1 344.400 2.346 20 0 EEADMM CN(C)Cc1cccc(-c2cccc(S(=O)(=O)CC(=O)[O-])c2)c1 ZINC001606036754 1351265665 /nfs/dbraw/zinc/26/56/65/1351265665.db2.gz ZFUXCGRYOFKKKH-UHFFFAOYSA-N -1 1 333.409 2.274 20 0 EEADMM CN(CC(=O)Nc1ccsc1C(=O)[O-])C1Cc2ccccc2C1 ZINC001606084669 1351267982 /nfs/dbraw/zinc/26/79/82/1351267982.db2.gz XZGXWIWTRVLOBQ-UHFFFAOYSA-N -1 1 330.409 2.484 20 0 EEADMM Clc1nc(NCc2cn3ccsc3n2)sc1-c1nn[n-]n1 ZINC001606199871 1351284743 /nfs/dbraw/zinc/28/47/43/1351284743.db2.gz RTPSGZZEKBIVOE-UHFFFAOYSA-N -1 1 338.809 2.298 20 0 EEADMM Fc1ccc(SCCCNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001606323235 1351292514 /nfs/dbraw/zinc/29/25/14/1351292514.db2.gz NVYKZTULNHWIOM-UHFFFAOYSA-N -1 1 331.380 2.390 20 0 EEADMM Fc1ccc(SCCCNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001606323235 1351292515 /nfs/dbraw/zinc/29/25/15/1351292515.db2.gz NVYKZTULNHWIOM-UHFFFAOYSA-N -1 1 331.380 2.390 20 0 EEADMM COC(=O)CC[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001606448263 1351303703 /nfs/dbraw/zinc/30/37/03/1351303703.db2.gz FWCHXEQADXHGAP-KGLIPLIRSA-N -1 1 341.791 2.120 20 0 EEADMM O=C(CCSc1ccccn1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606525316 1351316988 /nfs/dbraw/zinc/31/69/88/1351316988.db2.gz ABWRNBGCSLNXCC-UHFFFAOYSA-N -1 1 346.441 2.122 20 0 EEADMM COC(=O)c1cc(CN[C@H](CO)c2ccccc2C)cc(C(=O)[O-])c1 ZINC001606543527 1351320245 /nfs/dbraw/zinc/32/02/45/1351320245.db2.gz DONIORRXKJLBMY-QGZVFWFLSA-N -1 1 343.379 2.303 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCCC12CCCC2 ZINC001606594191 1351328986 /nfs/dbraw/zinc/32/89/86/1351328986.db2.gz FPURFSNHGJPTRX-OAHLLOKOSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCCC12CCCC2 ZINC001606594191 1351328988 /nfs/dbraw/zinc/32/89/88/1351328988.db2.gz FPURFSNHGJPTRX-OAHLLOKOSA-N -1 1 340.431 2.423 20 0 EEADMM O=C(Cc1cccc(Cl)c1F)OCc1cccnc1-c1nnn[n-]1 ZINC001606602910 1351330587 /nfs/dbraw/zinc/33/05/87/1351330587.db2.gz KMBMPAUVUGDPJF-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1cccc(Cl)c1F)OCc1cccnc1-c1nn[n-]n1 ZINC001606602910 1351330589 /nfs/dbraw/zinc/33/05/89/1351330589.db2.gz KMBMPAUVUGDPJF-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606634598 1351335003 /nfs/dbraw/zinc/33/50/03/1351335003.db2.gz XFAWCXIONAYANY-GFCCVEGCSA-N -1 1 347.325 2.456 20 0 EEADMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606634598 1351335008 /nfs/dbraw/zinc/33/50/08/1351335008.db2.gz XFAWCXIONAYANY-GFCCVEGCSA-N -1 1 347.325 2.456 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606715142 1351346003 /nfs/dbraw/zinc/34/60/03/1351346003.db2.gz NVMYRYNNNMBRMU-UHFFFAOYSA-N -1 1 345.309 2.200 20 0 EEADMM O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606715142 1351346005 /nfs/dbraw/zinc/34/60/05/1351346005.db2.gz NVMYRYNNNMBRMU-UHFFFAOYSA-N -1 1 345.309 2.200 20 0 EEADMM O=C(Nc1ccccc1)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001606938657 1351380218 /nfs/dbraw/zinc/38/02/18/1351380218.db2.gz YBKUMVGWEWARHU-UHFFFAOYSA-N -1 1 349.398 2.117 20 0 EEADMM O=C(Nc1ccccc1)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001606938657 1351380221 /nfs/dbraw/zinc/38/02/21/1351380221.db2.gz YBKUMVGWEWARHU-UHFFFAOYSA-N -1 1 349.398 2.117 20 0 EEADMM O=C(Nc1nnc(C(F)(F)F)s1)c1csc(-c2nn[n-]n2)c1 ZINC001606954381 1351383689 /nfs/dbraw/zinc/38/36/89/1351383689.db2.gz QYPQYQZGGZPBND-UHFFFAOYSA-N -1 1 347.307 2.051 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2ccccc21 ZINC001607006926 1351396434 /nfs/dbraw/zinc/39/64/34/1351396434.db2.gz QDOKPHRVMHYZKQ-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2ccccc21 ZINC001607006926 1351396436 /nfs/dbraw/zinc/39/64/36/1351396436.db2.gz QDOKPHRVMHYZKQ-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001607017159 1351397965 /nfs/dbraw/zinc/39/79/65/1351397965.db2.gz MEUQRHHIWCLDEW-HRCADAONSA-N -1 1 346.394 2.137 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001607017159 1351397968 /nfs/dbraw/zinc/39/79/68/1351397968.db2.gz MEUQRHHIWCLDEW-HRCADAONSA-N -1 1 346.394 2.137 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2ccccc2F)C1 ZINC001607016678 1351398415 /nfs/dbraw/zinc/39/84/15/1351398415.db2.gz DKDRQZYYAHBSPD-JTQLQIEISA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2ccccc2F)C1 ZINC001607016678 1351398418 /nfs/dbraw/zinc/39/84/18/1351398418.db2.gz DKDRQZYYAHBSPD-JTQLQIEISA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(c1ccccn1)C1CCCC1 ZINC001607025856 1351400044 /nfs/dbraw/zinc/40/00/44/1351400044.db2.gz NKZPIFVRSNSYLD-UHFFFAOYSA-N -1 1 335.371 2.246 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(c1ccccn1)C1CCCC1 ZINC001607025856 1351400046 /nfs/dbraw/zinc/40/00/46/1351400046.db2.gz NKZPIFVRSNSYLD-UHFFFAOYSA-N -1 1 335.371 2.246 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1Cc1cc(Cl)cc2ccccc21 ZINC001607089655 1351413437 /nfs/dbraw/zinc/41/34/37/1351413437.db2.gz GCUZMVNEESTJBO-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM OC[C@]12CCC[C@H]1CN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC001607108581 1351421978 /nfs/dbraw/zinc/42/19/78/1351421978.db2.gz FDWDCSGKAGDLAX-KPZWWZAWSA-N -1 1 336.399 2.014 20 0 EEADMM OC[C@]12CCC[C@H]1CN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC001607108581 1351421981 /nfs/dbraw/zinc/42/19/81/1351421981.db2.gz FDWDCSGKAGDLAX-KPZWWZAWSA-N -1 1 336.399 2.014 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114452 1351423976 /nfs/dbraw/zinc/42/39/76/1351423976.db2.gz KJGWQICIYYHJPT-ZFWWWQNUSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114452 1351423977 /nfs/dbraw/zinc/42/39/77/1351423977.db2.gz KJGWQICIYYHJPT-ZFWWWQNUSA-N -1 1 341.419 2.294 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001607124940 1351428680 /nfs/dbraw/zinc/42/86/80/1351428680.db2.gz IUDDKUZDEQCCMC-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001607124940 1351428682 /nfs/dbraw/zinc/42/86/82/1351428682.db2.gz IUDDKUZDEQCCMC-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1ccc([C@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC001607126238 1351429659 /nfs/dbraw/zinc/42/96/59/1351429659.db2.gz IRMRWHZBYKMGQP-KRWDZBQOSA-N -1 1 329.367 2.280 20 0 EEADMM c1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC001607126238 1351429660 /nfs/dbraw/zinc/42/96/60/1351429660.db2.gz IRMRWHZBYKMGQP-KRWDZBQOSA-N -1 1 329.367 2.280 20 0 EEADMM c1nc2c(n1-c1ccccc1)CCN(c1cccnc1-c1nnn[n-]1)C2 ZINC001607126605 1351429671 /nfs/dbraw/zinc/42/96/71/1351429671.db2.gz NCCGAFZRDDSENX-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1nc2c(n1-c1ccccc1)CCN(c1cccnc1-c1nn[n-]n1)C2 ZINC001607126605 1351429672 /nfs/dbraw/zinc/42/96/72/1351429672.db2.gz NCCGAFZRDDSENX-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM COc1cc(S(=O)(=O)Nc2cccc(C)c2O)ccc1C(=O)[O-] ZINC001607189471 1351446029 /nfs/dbraw/zinc/44/60/29/1351446029.db2.gz CEIHXGBUYQIXSA-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM COc1ccc(Cl)cc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC001607265096 1351461410 /nfs/dbraw/zinc/46/14/10/1351461410.db2.gz MGSMIIYTUPASAP-UHFFFAOYSA-N -1 1 348.789 2.304 20 0 EEADMM COc1ccc(OC)c([C@H](O)[C@@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC001607279327 1351464029 /nfs/dbraw/zinc/46/40/29/1351464029.db2.gz KVZCSQSTSVAXSE-QLJPJBMISA-N -1 1 335.356 2.207 20 0 EEADMM C[C@H]1CN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC[C@H]1C(=O)[O-] ZINC001607474876 1351499809 /nfs/dbraw/zinc/49/98/09/1351499809.db2.gz UTOIUKFBJWDVES-GLQYFDAESA-N -1 1 336.819 2.488 20 0 EEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](c3nccn3C)C2)c(C)c1C(=O)[O-] ZINC001607484340 1351501850 /nfs/dbraw/zinc/50/18/50/1351501850.db2.gz IDMWWGJGRYJJSK-CHWSQXEVSA-N -1 1 344.415 2.124 20 0 EEADMM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)ccc2cncn21 ZINC001607506163 1351507146 /nfs/dbraw/zinc/50/71/46/1351507146.db2.gz HVVKWYWEZNKNES-SFHVURJKSA-N -1 1 338.367 2.158 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)oc1C(=O)[O-] ZINC001607577001 1351518398 /nfs/dbraw/zinc/51/83/98/1351518398.db2.gz BZEZJBUJIVWSGB-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cc1cc(C(F)F)n(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001607610510 1351524783 /nfs/dbraw/zinc/52/47/83/1351524783.db2.gz PNPHEHDDQYWOST-UHFFFAOYSA-N -1 1 349.297 2.342 20 0 EEADMM Cc1ccc(C(=O)NCCNCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001607732047 1351548215 /nfs/dbraw/zinc/54/82/15/1351548215.db2.gz FGAGFNUJTQXWLH-HJWRWDBZSA-N -1 1 328.368 2.205 20 0 EEADMM Cc1ccc([C@H](CNC(=S)NCCCC(=O)[O-])N2CCCC2)o1 ZINC001607756925 1351553215 /nfs/dbraw/zinc/55/32/15/1351553215.db2.gz PWWTYVOPRYMILV-ZDUSSCGKSA-N -1 1 339.461 2.054 20 0 EEADMM Cc1ccc(C)n1-c1nc(CC(=O)NOCCCC(=O)[O-])cs1 ZINC001607765419 1351554067 /nfs/dbraw/zinc/55/40/67/1351554067.db2.gz FBEZAAZIDMINQN-UHFFFAOYSA-N -1 1 337.401 2.006 20 0 EEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001607790050 1351559514 /nfs/dbraw/zinc/55/95/14/1351559514.db2.gz ANZTXPVKHZGTDJ-NJZAAPMLSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1cccc2c(=O)c(C(=O)NCc3cc(C(=O)[O-])co3)c[nH]c12 ZINC001607864670 1351574302 /nfs/dbraw/zinc/57/43/02/1351574302.db2.gz JMCOOMRTJPZZKP-UHFFFAOYSA-N -1 1 326.308 2.058 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC001607917555 1351585815 /nfs/dbraw/zinc/58/58/15/1351585815.db2.gz MNNNAVILVZPBSJ-KSSFIOAISA-N -1 1 342.395 2.390 20 0 EEADMM Cc1nc(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)n[nH]1 ZINC001607936963 1351589657 /nfs/dbraw/zinc/58/96/57/1351589657.db2.gz QFAMFSYARCDIQS-UHFFFAOYSA-N -1 1 331.357 2.348 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC001608008380 1351603855 /nfs/dbraw/zinc/60/38/55/1351603855.db2.gz GPMLCZYNXKHFIB-UHFFFAOYSA-N -1 1 345.447 2.282 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)o1 ZINC000031615772 1352380284 /nfs/dbraw/zinc/38/02/84/1352380284.db2.gz UYSDVZFOJFQCLT-GFCCVEGCSA-N -1 1 336.413 2.296 20 0 EEADMM C[C@H]1CC(=O)NN=C1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000038462730 1352430585 /nfs/dbraw/zinc/43/05/85/1352430585.db2.gz RIGIOYFRDXSKIH-LBPRGKRZSA-N -1 1 343.408 2.348 20 0 EEADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001628144819 1352523177 /nfs/dbraw/zinc/52/31/77/1352523177.db2.gz JAEBTVFAFHURGO-UHFFFAOYSA-N -1 1 341.375 2.052 20 0 EEADMM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC[C@@H](C)O)cc1 ZINC001646632731 1352893578 /nfs/dbraw/zinc/89/35/78/1352893578.db2.gz JHVALKRKMHYKBV-GFCCVEGCSA-N -1 1 336.413 2.289 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC(O)(C(C)C)CC1 ZINC001649360581 1353496874 /nfs/dbraw/zinc/49/68/74/1353496874.db2.gz FLAOMUQKCAEOST-UHFFFAOYSA-N -1 1 335.448 2.411 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(C(F)F)c2)o1 ZINC001649765365 1353590910 /nfs/dbraw/zinc/59/09/10/1353590910.db2.gz VAMYPKJXGGXHSK-UHFFFAOYSA-N -1 1 344.339 2.055 20 0 EEADMM CCc1nc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2OC)co1 ZINC001649825170 1353613013 /nfs/dbraw/zinc/61/30/13/1353613013.db2.gz OMRCGTMIJQUPAU-UHFFFAOYSA-N -1 1 332.328 2.002 20 0 EEADMM NC(=O)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(Cl)cc1 ZINC001650251163 1353797606 /nfs/dbraw/zinc/79/76/06/1353797606.db2.gz RBHXKEPFRXBANL-VIFPVBQESA-N -1 1 345.758 2.231 20 0 EEADMM CSCC[C@H](NC(=O)Nc1c(F)cccc1F)c1nn[n-]n1 ZINC001650502750 1353957727 /nfs/dbraw/zinc/95/77/27/1353957727.db2.gz LZNDWTAFGXXIOA-VIFPVBQESA-N -1 1 328.348 2.094 20 0 EEADMM C[C@H]1CN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)C[C@H](C)S1 ZINC001650527264 1353973248 /nfs/dbraw/zinc/97/32/48/1353973248.db2.gz HMPMIVQLWQNMOK-UWVGGRQHSA-N -1 1 334.449 2.114 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1c(C)cnn1CC1CC1 ZINC000084321459 1356223016 /nfs/dbraw/zinc/22/30/16/1356223016.db2.gz 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CO[C@@H](Cn1ccn2ncc(-c3nn[n-]n3)c12)c1ccc(Cl)cc1 ZINC001591333761 1403906447 /nfs/dbraw/zinc/90/64/47/1403906447.db2.gz JIXQDSBLLWKXFK-ZDUSSCGKSA-N -1 1 343.778 2.357 20 0 EEADMM COc1cc2c(cc1F)CN(c1nc(-c3nnn[n-]3)ccc1C)CC2 ZINC001591557263 1403929487 /nfs/dbraw/zinc/92/94/87/1403929487.db2.gz NFLPCUQKRWBKHU-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM COc1cc2c(cc1F)CN(c1nc(-c3nn[n-]n3)ccc1C)CC2 ZINC001591557263 1403929504 /nfs/dbraw/zinc/92/95/04/1403929504.db2.gz NFLPCUQKRWBKHU-UHFFFAOYSA-N -1 1 340.362 2.281 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC001592499108 1404703415 /nfs/dbraw/zinc/70/34/15/1404703415.db2.gz IYSQBFWKYHKOPZ-QWHCGFSZSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC001592499108 1404703421 /nfs/dbraw/zinc/70/34/21/1404703421.db2.gz IYSQBFWKYHKOPZ-QWHCGFSZSA-N -1 1 333.392 2.092 20 0 EEADMM Fc1ccccc1OC1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001592661492 1404705481 /nfs/dbraw/zinc/70/54/81/1404705481.db2.gz 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ZINC001593226155 1404747808 /nfs/dbraw/zinc/74/78/08/1404747808.db2.gz GVNUFMDZMKIIJN-LBPRGKRZSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593226155 1404747813 /nfs/dbraw/zinc/74/78/13/1404747813.db2.gz GVNUFMDZMKIIJN-LBPRGKRZSA-N -1 1 336.355 2.018 20 0 EEADMM Fc1cc(-c2nnc(C3CCOCC3)o2)cc(F)c1-c1nnn[n-]1 ZINC001606307088 1404783888 /nfs/dbraw/zinc/78/38/88/1404783888.db2.gz RDPBLWJAKOYAPO-UHFFFAOYSA-N -1 1 334.286 2.089 20 0 EEADMM Fc1cc(-c2nnc(C3CCOCC3)o2)cc(F)c1-c1nn[n-]n1 ZINC001606307088 1404783894 /nfs/dbraw/zinc/78/38/94/1404783894.db2.gz RDPBLWJAKOYAPO-UHFFFAOYSA-N -1 1 334.286 2.089 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3cc(C)cc(C)c3C2)o1 ZINC000186712944 1406072219 /nfs/dbraw/zinc/07/22/19/1406072219.db2.gz OMBUVFYUSNNMGX-UHFFFAOYSA-N -1 1 348.424 2.003 20 0 EEADMM C/C=C(/C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001756821907 1409369585 /nfs/dbraw/zinc/36/95/85/1409369585.db2.gz UEJZZFFDZQTXOT-XAPDAFRNSA-N -1 1 346.431 2.039 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H]1Cc2ccc(C)cc2S1)c1nn[n-]n1 ZINC001771925928 1409981699 /nfs/dbraw/zinc/98/16/99/1409981699.db2.gz ZNNKTQUTCMXZOM-AAEUAGOBSA-N -1 1 349.485 2.136 20 0 EEADMM CC(C)c1cnc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)o1 ZINC000864329020 1410461831 /nfs/dbraw/zinc/46/18/31/1410461831.db2.gz PWEIOHYHBBPSBB-LBPRGKRZSA-N -1 1 331.420 2.349 20 0 EEADMM COc1ccc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c(C)n1 ZINC001211045777 758239843 /nfs/dbraw/zinc/23/98/43/758239843.db2.gz NKCXSFKENKQRHR-UHFFFAOYSA-N -1 1 337.357 2.114 20 0 EEADMM C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000780354263 761496716 /nfs/dbraw/zinc/49/67/16/761496716.db2.gz PKUDUYWHLFACEP-NSHDSACASA-N -1 1 339.823 2.077 20 0 EEADMM CCc1nsc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125858206 764991221 /nfs/dbraw/zinc/99/12/21/764991221.db2.gz WUQVOOIQVOMNCF-LLVKDONJSA-N -1 1 349.460 2.458 20 0 EEADMM C[C@@H](c1ccc(F)cc1F)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628527 770446953 /nfs/dbraw/zinc/44/69/53/770446953.db2.gz PLFHICASVOBGOK-NSHDSACASA-N -1 1 347.365 2.488 20 0 EEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ncccc1Br ZINC000921307106 773267382 /nfs/dbraw/zinc/26/73/82/773267382.db2.gz GATNWQUOWHEOCB-SDNRWEOFSA-N -1 1 331.235 2.167 20 0 EEADMM O=C(NC1CCC(NC(=O)[C@@H]2CC23CCC3)CC1)c1ncccc1[O-] ZINC000980146749 773947468 /nfs/dbraw/zinc/94/74/68/773947468.db2.gz OUNFYLNMSTXEII-RUXDESIVSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000980344786 774384969 /nfs/dbraw/zinc/38/49/69/774384969.db2.gz YGPOOOFGSMIZIA-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(N[C@H]1CCCCN(c2cccc(F)n2)C1)c1ncccc1[O-] ZINC001063185046 790338655 /nfs/dbraw/zinc/33/86/55/790338655.db2.gz BREHMFVKWLNGPA-LBPRGKRZSA-N -1 1 330.363 2.110 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)co1 ZINC000981207591 776789897 /nfs/dbraw/zinc/78/98/97/776789897.db2.gz KVPVKOLNKLHRKE-GXTWGEPZSA-N -1 1 343.383 2.017 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ncnc3ccoc32)Cc2ccccc2C1 ZINC001167932789 780968412 /nfs/dbraw/zinc/96/84/12/780968412.db2.gz XKBDXGUBMREHNP-UHFFFAOYSA-N -1 1 331.268 2.308 20 0 EEADMM COc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)ncc1F ZINC001167934005 780987246 /nfs/dbraw/zinc/98/72/46/780987246.db2.gz PRLJUBVQWADKDD-UHFFFAOYSA-N -1 1 338.275 2.314 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCCc2ccccc2)o1 ZINC000183816167 781856574 /nfs/dbraw/zinc/85/65/74/781856574.db2.gz QGNVMJWYOUQRNS-UHFFFAOYSA-N -1 1 337.397 2.367 20 0 EEADMM O=C(CC1CC1)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995287850 783348779 /nfs/dbraw/zinc/34/87/79/783348779.db2.gz NTQNALQAYKZKNU-DNVCBOLYSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1sccc1C(=O)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088311855 783467221 /nfs/dbraw/zinc/46/72/21/783467221.db2.gz IMUPNUVBIGSELJ-GFCCVEGCSA-N -1 1 349.460 2.055 20 0 EEADMM CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906821614 784197064 /nfs/dbraw/zinc/19/70/64/784197064.db2.gz YJURMILJXLAMIU-UHFFFAOYSA-N -1 1 341.307 2.053 20 0 EEADMM Cc1nsc(C)c1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777208 784257619 /nfs/dbraw/zinc/25/76/19/784257619.db2.gz VPAKMEZJJYIVDF-SNVBAGLBSA-N -1 1 349.378 2.291 20 0 EEADMM CCOC(=O)[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000907414968 784611582 /nfs/dbraw/zinc/61/15/82/784611582.db2.gz LVDJPDREMMMVJC-OAHLLOKOSA-N -1 1 329.352 2.419 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000907420336 784617134 /nfs/dbraw/zinc/61/71/34/784617134.db2.gz HQBKLOJTAWQJFE-UHFFFAOYSA-N -1 1 339.395 2.183 20 0 EEADMM O=C(CCCCc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473697 784642411 /nfs/dbraw/zinc/64/24/11/784642411.db2.gz DOJCZIJAEFWENK-AWEZNQCLSA-N -1 1 331.445 2.229 20 0 EEADMM Cn1nccc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817294065 784660076 /nfs/dbraw/zinc/66/00/76/784660076.db2.gz PHAXVRGYNVQHQM-ZDUSSCGKSA-N -1 1 338.333 2.030 20 0 EEADMM CCOC(=O)CCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817294949 784660868 /nfs/dbraw/zinc/66/08/68/784660868.db2.gz UCBJOZBORZOVIY-LBPRGKRZSA-N -1 1 344.333 2.049 20 0 EEADMM Cc1cc2occ(C(=O)N3CCSC[C@H]3c3nn[n-]n3)c2cc1C ZINC000907479706 784687528 /nfs/dbraw/zinc/68/75/28/784687528.db2.gz MDBOJWRHIYJADO-ZDUSSCGKSA-N -1 1 343.412 2.493 20 0 EEADMM CC[C@@H](CS(=O)(=O)[N-]c1ccc(-c2nnc(C)o2)cc1)OC ZINC000817351668 784690748 /nfs/dbraw/zinc/69/07/48/784690748.db2.gz ATVJVIVJTRUCJL-ZDUSSCGKSA-N -1 1 325.390 2.212 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)C1CCCC1 ZINC000945753710 784776348 /nfs/dbraw/zinc/77/63/48/784776348.db2.gz CGGMQQSCSJNUHE-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCCN(C(=O)/C=C/C2CC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945755653 784782890 /nfs/dbraw/zinc/78/28/90/784782890.db2.gz WBQLPIPXCLYNDO-UKQHYNNHSA-N -1 1 343.427 2.110 20 0 EEADMM CS[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493314 784795246 /nfs/dbraw/zinc/79/52/46/784795246.db2.gz UDJAOTAFDQDFQM-MWLCHTKSSA-N -1 1 346.374 2.374 20 0 EEADMM O=C([O-])[C@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)C[C@@H]1c1ccccc1 ZINC000907818213 784885743 /nfs/dbraw/zinc/88/57/43/784885743.db2.gz CZOQZQCZEKIFOU-DNVCBOLYSA-N -1 1 339.395 2.374 20 0 EEADMM CC1(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000945991139 785242112 /nfs/dbraw/zinc/24/21/12/785242112.db2.gz GGLOXGNQQAESQZ-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1)C(F)(F)F ZINC000186100012 785264280 /nfs/dbraw/zinc/26/42/80/785264280.db2.gz FNMUJBLWFBDQBA-HNNXBMFYSA-N -1 1 344.377 2.389 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000908295948 785316070 /nfs/dbraw/zinc/31/60/70/785316070.db2.gz GXVALQRQAAGBAK-UONOGXRCSA-N -1 1 329.400 2.233 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)c(F)c1 ZINC000908419710 785380416 /nfs/dbraw/zinc/38/04/16/785380416.db2.gz CRTZNUZLRIXXPO-HUUCEWRRSA-N -1 1 339.363 2.210 20 0 EEADMM CC(C)Oc1cccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000908719280 785647818 /nfs/dbraw/zinc/64/78/18/785647818.db2.gz NZTJXUFRNJCHSO-GOEBONIOSA-N -1 1 348.443 2.448 20 0 EEADMM CC[C@H](C(=O)Nc1cccc([O-])c1Br)N1CCCC1=O ZINC000908714022 785665801 /nfs/dbraw/zinc/66/58/01/785665801.db2.gz ZCWHFOLPAACWJO-SNVBAGLBSA-N -1 1 341.205 2.494 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000908762117 785707846 /nfs/dbraw/zinc/70/78/46/785707846.db2.gz COEKTQQTKGDWHF-MRXNPFEDSA-N -1 1 346.427 2.348 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccsc1 ZINC000908813197 785747304 /nfs/dbraw/zinc/74/73/04/785747304.db2.gz JTYSOHLVAMIQJV-KGLIPLIRSA-N -1 1 339.461 2.390 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820062333 785766051 /nfs/dbraw/zinc/76/60/51/785766051.db2.gz AZBJAPMNRYDESC-NSHDSACASA-N -1 1 333.363 2.499 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000820096313 785789067 /nfs/dbraw/zinc/78/90/67/785789067.db2.gz CQLUFCTWVPCXON-UAYQAUMTSA-N -1 1 338.425 2.160 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccco1 ZINC000908876558 785815146 /nfs/dbraw/zinc/81/51/46/785815146.db2.gz XLXRLGCQUPBYAN-JSGCOSHPSA-N -1 1 337.420 2.310 20 0 EEADMM C[C@H](CNC(=O)N([C@H](C)C(=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000908914086 785831770 /nfs/dbraw/zinc/83/17/70/785831770.db2.gz VYOYJDQNLJBYRO-ZIAGYGMSSA-N -1 1 345.443 2.080 20 0 EEADMM C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000909126226 786009029 /nfs/dbraw/zinc/00/90/29/786009029.db2.gz NBNIBROEYBNYBG-SKDRFNHKSA-N -1 1 347.337 2.080 20 0 EEADMM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000909144740 786062881 /nfs/dbraw/zinc/06/28/81/786062881.db2.gz FMSVGPJMCBNODA-JJRVBVJISA-N -1 1 345.443 2.154 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000909852887 786284298 /nfs/dbraw/zinc/28/42/98/786284298.db2.gz BBKRJVBRQXIWKB-MRXNPFEDSA-N -1 1 335.310 2.216 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)n[nH]2)c1 ZINC000909843489 786297898 /nfs/dbraw/zinc/29/78/98/786297898.db2.gz QOHNZWUDHZJAAN-SFHVURJKSA-N -1 1 343.383 2.412 20 0 EEADMM CCCCN1Cc2cccc([N-]S(=O)(=O)N=S(C)(C)=O)c2C1 ZINC000820802118 786462171 /nfs/dbraw/zinc/46/21/71/786462171.db2.gz BCXNSRMFPTYDHB-UHFFFAOYSA-N -1 1 345.490 2.187 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)C1 ZINC000910168067 786493102 /nfs/dbraw/zinc/49/31/02/786493102.db2.gz ZNHUIGZWEBOODR-NLNKHKNDSA-N -1 1 331.416 2.179 20 0 EEADMM CC1(C)CN(C(=O)CCC2CCCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996576692 786658860 /nfs/dbraw/zinc/65/88/60/786658860.db2.gz SQGPLXTXJZORNV-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000821981021 786961315 /nfs/dbraw/zinc/96/13/15/786961315.db2.gz WDHFXATZCBLZMV-QMMMGPOBSA-N -1 1 332.328 2.140 20 0 EEADMM Cc1nc(C(=O)N2CCN(C)CC23CCCCC3)ccc1C(=O)[O-] ZINC000910686681 786981053 /nfs/dbraw/zinc/98/10/53/786981053.db2.gz KQAQSLCAYBYZEH-UHFFFAOYSA-N -1 1 331.416 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CN(C)c1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000911242028 787328982 /nfs/dbraw/zinc/32/89/82/787328982.db2.gz MOXCXSJJWZKUSG-LLVKDONJSA-N -1 1 339.823 2.141 20 0 EEADMM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000911452392 787470631 /nfs/dbraw/zinc/47/06/31/787470631.db2.gz WSWMADOPUCEPRF-AWEZNQCLSA-N -1 1 340.464 2.027 20 0 EEADMM CCCC1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])CC1 ZINC001062149076 787483520 /nfs/dbraw/zinc/48/35/20/787483520.db2.gz CUFQLZGLZFBZOE-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000911693090 787642755 /nfs/dbraw/zinc/64/27/55/787642755.db2.gz SIHACGAPCVHZSB-OCCSQVGLSA-N -1 1 330.384 2.407 20 0 EEADMM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000911693090 787642760 /nfs/dbraw/zinc/64/27/60/787642760.db2.gz SIHACGAPCVHZSB-OCCSQVGLSA-N -1 1 330.384 2.407 20 0 EEADMM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000912007900 787869060 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CSCC[C@H](NC(=O)c1ccccc1OCC(C)C)c1nn[n-]n1 ZINC000912859990 788417057 /nfs/dbraw/zinc/41/70/57/788417057.db2.gz GSPIAPKRVPFEST-ZDUSSCGKSA-N -1 1 349.460 2.459 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1nn[n-]n1 ZINC000912860225 788417923 /nfs/dbraw/zinc/41/79/23/788417923.db2.gz OFGGIIIVRZQDMJ-AWEZNQCLSA-N -1 1 342.428 2.215 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)c1nn[n-]n1 ZINC000912861646 788422810 /nfs/dbraw/zinc/42/28/10/788422810.db2.gz SPEHOZQNKXMOEW-KBPBESRZSA-N -1 1 331.445 2.304 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccc(Cl)s1)c1nn[n-]n1 ZINC000912862897 788425900 /nfs/dbraw/zinc/42/59/00/788425900.db2.gz ZFDNDMSWLZQBCJ-QMMMGPOBSA-N -1 1 331.854 2.068 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825253134 788536170 /nfs/dbraw/zinc/53/61/70/788536170.db2.gz MBCZEPVZTNPKPN-NEPJUHHUSA-N -1 1 332.408 2.181 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825253134 788536178 /nfs/dbraw/zinc/53/61/78/788536178.db2.gz 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CCCCOc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000736462763 578205844 /nfs/dbraw/zinc/20/58/44/578205844.db2.gz HIJZFYMBOQLSPW-UHFFFAOYSA-N -1 1 339.403 2.490 20 0 EEADMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736635906 578215322 /nfs/dbraw/zinc/21/53/22/578215322.db2.gz FFUIAOGLNHVKBY-LLVKDONJSA-N -1 1 338.371 2.151 20 0 EEADMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736635906 578215323 /nfs/dbraw/zinc/21/53/23/578215323.db2.gz FFUIAOGLNHVKBY-LLVKDONJSA-N -1 1 338.371 2.151 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2ccccc2n1 ZINC000736743016 578221634 /nfs/dbraw/zinc/22/16/34/578221634.db2.gz WRBAPSQMRRFNJV-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2ccccc2n1 ZINC000736743016 578221635 /nfs/dbraw/zinc/22/16/35/578221635.db2.gz WRBAPSQMRRFNJV-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CC1CCC2(CC(=O)N(CN3CCCC[C@@H]3CC(=O)[O-])C2=O)CC1 ZINC000736772489 578222782 /nfs/dbraw/zinc/22/27/82/578222782.db2.gz 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EEADMM CCNC(=O)c1ccc(C)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821292499 607312462 /nfs/dbraw/zinc/31/24/62/607312462.db2.gz BODRNZYJCHJASO-UHFFFAOYSA-N -1 1 326.360 2.130 20 0 EEADMM CCNC(=O)c1ccc(C)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821292499 607312463 /nfs/dbraw/zinc/31/24/63/607312463.db2.gz BODRNZYJCHJASO-UHFFFAOYSA-N -1 1 326.360 2.130 20 0 EEADMM CN(CCCCC(=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000820592272 597806995 /nfs/dbraw/zinc/80/69/95/597806995.db2.gz XBOQFWJZPVYVOW-CYBMUJFWSA-N -1 1 343.221 2.162 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000325473866 598184310 /nfs/dbraw/zinc/18/43/10/598184310.db2.gz KBARKWYMHXJKCH-CZUORRHYSA-N -1 1 331.416 2.153 20 0 EEADMM Clc1ccc(N2CCC(OCC3CC3)CC2)nc1-c1nnn[n-]1 ZINC000822573770 599358155 /nfs/dbraw/zinc/35/81/55/599358155.db2.gz IASPVXONTOODLC-UHFFFAOYSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCC(OCC3CC3)CC2)nc1-c1nn[n-]n1 ZINC000822573770 599358156 /nfs/dbraw/zinc/35/81/56/599358156.db2.gz IASPVXONTOODLC-UHFFFAOYSA-N -1 1 334.811 2.311 20 0 EEADMM CCCc1sc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1CC ZINC000320719039 599778279 /nfs/dbraw/zinc/77/82/79/599778279.db2.gz VMPPZZQNOBUFOH-LBPRGKRZSA-N -1 1 335.429 2.412 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC2 ZINC000405361491 600300523 /nfs/dbraw/zinc/30/05/23/600300523.db2.gz PEWLBWHPUHHPTJ-HRCADAONSA-N -1 1 334.460 2.354 20 0 EEADMM CC(C)[C@@H](NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000826694560 601032168 /nfs/dbraw/zinc/03/21/68/601032168.db2.gz ZBDQXPOBRDXNRS-SJLPKXTDSA-N -1 1 336.407 2.482 20 0 EEADMM CSc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832790173 601126650 /nfs/dbraw/zinc/12/66/50/601126650.db2.gz ILGCFHULDSNMDU-GFCCVEGCSA-N -1 1 337.445 2.421 20 0 EEADMM C[C@H](OC[C@@H](O)CN1CC[C@@](F)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827879636 601446079 /nfs/dbraw/zinc/44/60/79/601446079.db2.gz UTNAYTBSJZEKOZ-PJODQICGSA-N -1 1 345.798 2.277 20 0 EEADMM O=C([O-])C1CCN(C(=O)CN2CCC(c3cccc(F)c3)CC2)CC1 ZINC000833190121 601452181 /nfs/dbraw/zinc/45/21/81/601452181.db2.gz NBSMRXRJBMAGRJ-UHFFFAOYSA-N -1 1 348.418 2.328 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000832847834 601816772 /nfs/dbraw/zinc/81/67/72/601816772.db2.gz YIJRRBVXYVTBCA-UHFFFAOYSA-N -1 1 333.310 2.454 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000833014222 601843871 /nfs/dbraw/zinc/84/38/71/601843871.db2.gz LGQIGVJONQQWHC-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM CC[C@@H](C)[C@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000828736102 601844561 /nfs/dbraw/zinc/84/45/61/601844561.db2.gz GCHZZDQYOGVABH-RNCFNFMXSA-N -1 1 343.221 2.477 20 0 EEADMM CC(C)Cc1noc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824281020 607533303 /nfs/dbraw/zinc/53/33/03/607533303.db2.gz XNQSWUMWIZIWNR-UHFFFAOYSA-N -1 1 331.405 2.277 20 0 EEADMM CC(C)Cc1noc(CSCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824281020 607533304 /nfs/dbraw/zinc/53/33/04/607533304.db2.gz XNQSWUMWIZIWNR-UHFFFAOYSA-N -1 1 331.405 2.277 20 0 EEADMM C[C@@H](C(=O)NCCC1=CCCCC1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000826004827 601922373 /nfs/dbraw/zinc/92/23/73/601922373.db2.gz KMXMAPLILQEZFW-ZFWWWQNUSA-N -1 1 340.489 2.274 20 0 EEADMM Clc1ccc(OCCn2ccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000826352610 608013569 /nfs/dbraw/zinc/01/35/69/608013569.db2.gz HSJVQWBGLDMOMF-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Clc1ccc(OCCn2ccnc2-c2nn[n-]n2)c(Cl)c1 ZINC000826352610 608013570 /nfs/dbraw/zinc/01/35/70/608013570.db2.gz HSJVQWBGLDMOMF-UHFFFAOYSA-N -1 1 325.159 2.449 20 0 EEADMM Cc1ccc(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(Cl)c1 ZINC000832927872 602391649 /nfs/dbraw/zinc/39/16/49/602391649.db2.gz DIXIMIZRAWEKDC-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300417 607572405 /nfs/dbraw/zinc/57/24/05/607572405.db2.gz UNURBHSLCLQCDW-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300417 607572406 /nfs/dbraw/zinc/57/24/06/607572406.db2.gz UNURBHSLCLQCDW-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825059252 607649906 /nfs/dbraw/zinc/64/99/06/607649906.db2.gz DLJLCQQFWCXJCJ-UWVGGRQHSA-N -1 1 341.412 2.109 20 0 EEADMM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825059252 607649907 /nfs/dbraw/zinc/64/99/07/607649907.db2.gz DLJLCQQFWCXJCJ-UWVGGRQHSA-N -1 1 341.412 2.109 20 0 EEADMM O=C([O-])NCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000832599459 604117815 /nfs/dbraw/zinc/11/78/15/604117815.db2.gz PGWGQAYTCLNMAD-UHFFFAOYSA-N -1 1 337.557 2.404 20 0 EEADMM CCC[C@](C)(NCC(=O)NCCc1cccc2cccnc21)C(=O)[O-] ZINC000829194179 604789146 /nfs/dbraw/zinc/78/91/46/604789146.db2.gz YAJMKYOAZLMQQO-IBGZPJMESA-N -1 1 343.427 2.127 20 0 EEADMM O=C([O-])c1cncc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000833337186 604904535 /nfs/dbraw/zinc/90/45/35/604904535.db2.gz AGCPFIJQHXETAZ-INIZCTEOSA-N -1 1 325.368 2.383 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(Cc2ccc(F)cc2)C1 ZINC000833403857 604924352 /nfs/dbraw/zinc/92/43/52/604924352.db2.gz KNQWNRMKKDZTMO-CYBMUJFWSA-N -1 1 348.418 2.012 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC(Cc2ccc(F)cc2)C1 ZINC000833403859 604924736 /nfs/dbraw/zinc/92/47/36/604924736.db2.gz KNQWNRMKKDZTMO-ZDUSSCGKSA-N -1 1 348.418 2.012 20 0 EEADMM CCCCCC[C@@]1(C)NC(=O)N(CN2CCC[C@H]2CC(=O)[O-])C1=O ZINC000829356379 604981062 /nfs/dbraw/zinc/98/10/62/604981062.db2.gz CCXRWIRQIPMCTH-SUMWQHHRSA-N -1 1 339.436 2.164 20 0 EEADMM COc1cc(OC)c(OC)cc1CN[C@H](C(=O)[O-])c1cccnc1 ZINC000832034292 604987419 /nfs/dbraw/zinc/98/74/19/604987419.db2.gz RSHYLBWISUGKBF-INIZCTEOSA-N -1 1 332.356 2.023 20 0 EEADMM C[C@H](C(=O)[O-])[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000833407409 605023217 /nfs/dbraw/zinc/02/32/17/605023217.db2.gz NNVVQMCCSMMMCZ-JQWIXIFHSA-N -1 1 332.322 2.107 20 0 EEADMM C[C@@H](Oc1cccnc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833541452 605060873 /nfs/dbraw/zinc/06/08/73/605060873.db2.gz BAMFGXKBMFUJTK-SECBINFHSA-N -1 1 326.312 2.062 20 0 EEADMM CC(C)(CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000833456966 605079346 /nfs/dbraw/zinc/07/93/46/605079346.db2.gz FKVQDCQFWYYWCO-HNNXBMFYSA-N -1 1 329.400 2.280 20 0 EEADMM CC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1Cl ZINC000833381200 605080744 /nfs/dbraw/zinc/08/07/44/605080744.db2.gz CZHUUNZQWQFJPD-APFBBLRHSA-N -1 1 333.775 2.279 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1 ZINC000833513981 605114136 /nfs/dbraw/zinc/11/41/36/605114136.db2.gz MFJWTVGXQPJVFN-KGLIPLIRSA-N -1 1 336.407 2.327 20 0 EEADMM CCCn1c(C)cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@@H]2C)c1C ZINC000833652275 605200665 /nfs/dbraw/zinc/20/06/65/605200665.db2.gz IJHHAIVEUBGXAF-HNNXBMFYSA-N -1 1 349.475 2.178 20 0 EEADMM C[C@H]1CC[C@H](C(N)=O)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833604412 605208556 /nfs/dbraw/zinc/20/85/56/605208556.db2.gz FJIMYSIJIDHOPN-FZMZJTMJSA-N -1 1 343.383 2.126 20 0 EEADMM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(Br)c2)CCN1C ZINC000107923731 605209280 /nfs/dbraw/zinc/20/92/80/605209280.db2.gz SDSBKCHAAGZPQV-GWCFXTLKSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@@H](CN(CN1C[C@H](c2ccccc2F)CC1=O)C1CC1)C(=O)[O-] ZINC000833516137 605345022 /nfs/dbraw/zinc/34/50/22/605345022.db2.gz FPCLBCHBTCDHCH-QWHCGFSZSA-N -1 1 334.391 2.284 20 0 EEADMM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1nnc[nH]1 ZINC000833522293 605510267 /nfs/dbraw/zinc/51/02/67/605510267.db2.gz ISJJNCBVICBYQD-JQWIXIFHSA-N -1 1 331.376 2.017 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833471494 605554363 /nfs/dbraw/zinc/55/43/63/605554363.db2.gz LHYGCUXVVXYLKJ-AWEZNQCLSA-N -1 1 345.403 2.065 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821455716 606121622 /nfs/dbraw/zinc/12/16/22/606121622.db2.gz LHZSHBWUIPYRCX-DGCLKSJQSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821455716 606121624 /nfs/dbraw/zinc/12/16/24/606121624.db2.gz LHZSHBWUIPYRCX-DGCLKSJQSA-N -1 1 332.433 2.056 20 0 EEADMM COc1ccccc1C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000821891118 606400815 /nfs/dbraw/zinc/40/08/15/606400815.db2.gz VVNFTUQWZGHHII-AWEZNQCLSA-N -1 1 336.399 2.482 20 0 EEADMM COc1ccccc1C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000821891118 606400817 /nfs/dbraw/zinc/40/08/17/606400817.db2.gz VVNFTUQWZGHHII-AWEZNQCLSA-N -1 1 336.399 2.482 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000822535662 606419405 /nfs/dbraw/zinc/41/94/05/606419405.db2.gz ZXUVKIIZVYTQFD-GHMZBOCLSA-N -1 1 340.387 2.287 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000822535662 606419406 /nfs/dbraw/zinc/41/94/06/606419406.db2.gz ZXUVKIIZVYTQFD-GHMZBOCLSA-N -1 1 340.387 2.287 20 0 EEADMM O=C(CSc1cccc(F)c1-c1nn[n-]n1)Nc1ccccn1 ZINC000823070846 606439139 /nfs/dbraw/zinc/43/91/39/606439139.db2.gz RJCNXWHIRDFLFD-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820045943 606448074 /nfs/dbraw/zinc/44/80/74/606448074.db2.gz OVLLGSAAGOJJSX-MFKMUULPSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820045943 606448077 /nfs/dbraw/zinc/44/80/77/606448077.db2.gz OVLLGSAAGOJJSX-MFKMUULPSA-N -1 1 335.433 2.109 20 0 EEADMM Cn1c2ccc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2oc1=O ZINC000822596898 606465448 /nfs/dbraw/zinc/46/54/48/606465448.db2.gz YHFAGVZYKPAOPG-UHFFFAOYSA-N -1 1 343.734 2.104 20 0 EEADMM Cn1c2ccc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2oc1=O ZINC000822596898 606465449 /nfs/dbraw/zinc/46/54/49/606465449.db2.gz YHFAGVZYKPAOPG-UHFFFAOYSA-N -1 1 343.734 2.104 20 0 EEADMM O=C(NCc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253785 606510514 /nfs/dbraw/zinc/51/05/14/606510514.db2.gz LXXDYIYEMMQFIT-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253785 606510516 /nfs/dbraw/zinc/51/05/16/606510516.db2.gz LXXDYIYEMMQFIT-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM C[C@H](COc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820292787 606514985 /nfs/dbraw/zinc/51/49/85/606514985.db2.gz GZDNNWXZJZWYPO-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM C[C@H](COc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820292787 606514988 /nfs/dbraw/zinc/51/49/88/606514988.db2.gz GZDNNWXZJZWYPO-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM CCOc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821431408 606531185 /nfs/dbraw/zinc/53/11/85/606531185.db2.gz SZZIWPZPGXHQFA-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CCOc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821431408 606531186 /nfs/dbraw/zinc/53/11/86/606531186.db2.gz SZZIWPZPGXHQFA-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CN(CCN(C)c1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821601758 606554959 /nfs/dbraw/zinc/55/49/59/606554959.db2.gz YISXOBUGAGIAQB-UHFFFAOYSA-N -1 1 342.428 2.137 20 0 EEADMM CN(CCN(C)c1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821601758 606554960 /nfs/dbraw/zinc/55/49/60/606554960.db2.gz YISXOBUGAGIAQB-UHFFFAOYSA-N -1 1 342.428 2.137 20 0 EEADMM C[C@@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc2ccccc2c1 ZINC000819883584 606605335 /nfs/dbraw/zinc/60/53/35/606605335.db2.gz IKFRWESKWSOYNO-SNVBAGLBSA-N -1 1 333.355 2.243 20 0 EEADMM Cc1cccc(C2(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822299861 606648140 /nfs/dbraw/zinc/64/81/40/606648140.db2.gz XFZZDZQHEGCAGQ-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM Cc1cccc(C2(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822299861 606648141 /nfs/dbraw/zinc/64/81/41/606648141.db2.gz XFZZDZQHEGCAGQ-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM Cc1ccc2c(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822274727 606651223 /nfs/dbraw/zinc/65/12/23/606651223.db2.gz HGAUXQCAMPOZGH-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1ccc2c(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822274727 606651224 /nfs/dbraw/zinc/65/12/24/606651224.db2.gz HGAUXQCAMPOZGH-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM O=C(Nc1ccccc1)c1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000823367357 606655355 /nfs/dbraw/zinc/65/53/55/606655355.db2.gz KHLAPEVZGYZJBQ-UHFFFAOYSA-N -1 1 345.366 2.364 20 0 EEADMM O=C(Nc1ccccc1)c1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000823367357 606655356 /nfs/dbraw/zinc/65/53/56/606655356.db2.gz KHLAPEVZGYZJBQ-UHFFFAOYSA-N -1 1 345.366 2.364 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821367469 606930130 /nfs/dbraw/zinc/93/01/30/606930130.db2.gz KLVLMIDNVIPKON-VXGBXAGGSA-N -1 1 334.401 2.433 20 0 EEADMM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821367469 606930132 /nfs/dbraw/zinc/93/01/32/606930132.db2.gz KLVLMIDNVIPKON-VXGBXAGGSA-N -1 1 334.401 2.433 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820299433 607109659 /nfs/dbraw/zinc/10/96/59/607109659.db2.gz GKFXLABBHTZUBP-MRVPVSSYSA-N -1 1 332.364 2.280 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820299433 607109660 /nfs/dbraw/zinc/10/96/60/607109660.db2.gz GKFXLABBHTZUBP-MRVPVSSYSA-N -1 1 332.364 2.280 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826291084 607866323 /nfs/dbraw/zinc/86/63/23/607866323.db2.gz OKKGNQOJBHAETK-UHFFFAOYSA-N -1 1 345.309 2.471 20 0 EEADMM Cc1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826291084 607866324 /nfs/dbraw/zinc/86/63/24/607866324.db2.gz OKKGNQOJBHAETK-UHFFFAOYSA-N -1 1 345.309 2.471 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826505361 607875512 /nfs/dbraw/zinc/87/55/12/607875512.db2.gz TYLBOGXUWNFRIL-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826505361 607875513 /nfs/dbraw/zinc/87/55/13/607875513.db2.gz TYLBOGXUWNFRIL-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM c1cnn(C[C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)c1 ZINC000826520601 607900554 /nfs/dbraw/zinc/90/05/54/607900554.db2.gz NWSGASIQRFLTOA-HNNXBMFYSA-N -1 1 332.371 2.312 20 0 EEADMM c1cnn(C[C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC000826520601 607900555 /nfs/dbraw/zinc/90/05/55/607900555.db2.gz NWSGASIQRFLTOA-HNNXBMFYSA-N -1 1 332.371 2.312 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc([S@](C)=O)cc1 ZINC000824662791 607902982 /nfs/dbraw/zinc/90/29/82/607902982.db2.gz RSFDWYKGLGCUSW-WYVULQQZSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc([S@](C)=O)cc1 ZINC000824662791 607902983 /nfs/dbraw/zinc/90/29/83/607902983.db2.gz RSFDWYKGLGCUSW-WYVULQQZSA-N -1 1 328.401 2.172 20 0 EEADMM CC(C)(CCCO)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824152412 608244186 /nfs/dbraw/zinc/24/41/86/608244186.db2.gz FPSIQQCOSWLBRB-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM CC(C)(CCCO)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824152412 608244188 /nfs/dbraw/zinc/24/41/88/608244188.db2.gz FPSIQQCOSWLBRB-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM Clc1ccc(NC[C@@H]2COC3(CCCC3)O2)nc1-c1nnn[n-]1 ZINC000826352517 608294700 /nfs/dbraw/zinc/29/47/00/608294700.db2.gz DNPHQMNSRKCSRR-SECBINFHSA-N -1 1 336.783 2.013 20 0 EEADMM Clc1ccc(NC[C@@H]2COC3(CCCC3)O2)nc1-c1nn[n-]n1 ZINC000826352517 608294702 /nfs/dbraw/zinc/29/47/02/608294702.db2.gz DNPHQMNSRKCSRR-SECBINFHSA-N -1 1 336.783 2.013 20 0 EEADMM Fc1cccc(-n2ccc(NCc3cscn3)n2)c1-c1nn[n-]n1 ZINC000826376545 609320720 /nfs/dbraw/zinc/32/07/20/609320720.db2.gz IQQCIAVWHNJVKG-UHFFFAOYSA-N -1 1 342.363 2.260 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1CC ZINC000825711812 609469973 /nfs/dbraw/zinc/46/99/73/609469973.db2.gz GQMPWHPHHFFWMI-UHFFFAOYSA-N -1 1 340.387 2.469 20 0 EEADMM CCc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1CC ZINC000825711812 609469976 /nfs/dbraw/zinc/46/99/76/609469976.db2.gz GQMPWHPHHFFWMI-UHFFFAOYSA-N -1 1 340.387 2.469 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@@H]1CC=CCC1 ZINC001020460382 674837881 /nfs/dbraw/zinc/83/78/81/674837881.db2.gz XOGAIRZYUOFTGF-ZNMIVQPWSA-N -1 1 343.427 2.253 20 0 EEADMM O=C(N[C@H]1C[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)c1ccccc1O ZINC001021850487 676519887 /nfs/dbraw/zinc/51/98/87/676519887.db2.gz IZCMPYQKQAWXDJ-BETUJISGSA-N -1 1 327.384 2.308 20 0 EEADMM COc1ccc(C(=O)N[N-]C(=O)c2cc(F)ccc2F)cc1OC ZINC000022599027 676721346 /nfs/dbraw/zinc/72/13/46/676721346.db2.gz WDYAAEYPAHDEJS-UHFFFAOYSA-N -1 1 336.294 2.057 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccnc(Br)c1 ZINC000891621707 676732687 /nfs/dbraw/zinc/73/26/87/676732687.db2.gz LEPIHTYJMFRBAA-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM Nc1nc([O-])c(CC(=O)N2CC=C(c3ccccc3Cl)CC2)s1 ZINC000092614663 677700989 /nfs/dbraw/zinc/70/09/89/677700989.db2.gz NKQTXZHIHZSPHY-ZDUSSCGKSA-N -1 1 349.843 2.303 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCOC(C)C ZINC000052171252 678888288 /nfs/dbraw/zinc/88/82/88/678888288.db2.gz LKGGEXGYNTUDBD-UHFFFAOYSA-N -1 1 329.418 2.420 20 0 EEADMM Cc1ncccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001024407152 679891565 /nfs/dbraw/zinc/89/15/65/679891565.db2.gz LMGVDEZUAGOHAN-MRXNPFEDSA-N -1 1 340.427 2.275 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCC1(C)C ZINC000984799480 685274504 /nfs/dbraw/zinc/27/45/04/685274504.db2.gz JGNBKWZRGUNQOH-MELADBBJSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909404194 681359951 /nfs/dbraw/zinc/35/99/51/681359951.db2.gz YEICDUNUDDYKSZ-CABCVRRESA-N -1 1 348.443 2.448 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000310733545 681643997 /nfs/dbraw/zinc/64/39/97/681643997.db2.gz CWRLLXLGAKTHDJ-BBRMVZONSA-N -1 1 339.395 2.173 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(-c3cnco3)cc2)C1 ZINC000909542882 685463375 /nfs/dbraw/zinc/46/33/75/685463375.db2.gz AWVRZGYUMWGQNQ-ZDUSSCGKSA-N -1 1 329.356 2.077 20 0 EEADMM Cn1c(CNC(=O)c2ccc(OCC(F)(F)F)cc2)n[n-]c1=S ZINC000066625235 681738973 /nfs/dbraw/zinc/73/89/73/681738973.db2.gz KTSMLNPYEWPHRW-UHFFFAOYSA-N -1 1 346.334 2.349 20 0 EEADMM CC(C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000982625260 681837641 /nfs/dbraw/zinc/83/76/41/681837641.db2.gz HVMBOJSLJDMOJX-AWEZNQCLSA-N -1 1 343.427 2.256 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675916 682026675 /nfs/dbraw/zinc/02/66/75/682026675.db2.gz OMSBDFSNALFVGA-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CCC1(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001025168323 682143031 /nfs/dbraw/zinc/14/30/31/682143031.db2.gz YAJXOJYXNCGCEN-CQSZACIVSA-N -1 1 349.479 2.342 20 0 EEADMM CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000983367928 682441601 /nfs/dbraw/zinc/44/16/01/682441601.db2.gz GZXGMKPKPIGRFD-CHWSQXEVSA-N -1 1 348.447 2.181 20 0 EEADMM O=C(CCC1CC1)N1[C@@H]2CC[C@H]1CC(NC(=O)c1ncccc1[O-])C2 ZINC000973599785 682812302 /nfs/dbraw/zinc/81/23/02/682812302.db2.gz PGVPKVQMHCUQIH-GOOCMWNKSA-N -1 1 343.427 2.229 20 0 EEADMM CCOCc1nc(Cl)cc(NCc2cc(=O)[n-]c(SC)n2)n1 ZINC000894472063 682916234 /nfs/dbraw/zinc/91/62/34/682916234.db2.gz NGLSFSGMVJIFBS-UHFFFAOYSA-N -1 1 341.824 2.496 20 0 EEADMM O=C(CC1CCCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936308453 683058430 /nfs/dbraw/zinc/05/84/30/683058430.db2.gz ACTWRZPWNWPRLK-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM CC[C@@H](Cc1ccccc1Br)C(=O)N(C)c1nn[n-]n1 ZINC000892954071 683320861 /nfs/dbraw/zinc/32/08/61/683320861.db2.gz BQVUCZQHDGVIBF-VIFPVBQESA-N -1 1 338.209 2.194 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1)c1ncccc1[O-] ZINC000937474039 683755630 /nfs/dbraw/zinc/75/56/30/683755630.db2.gz XUWXDYRWYBKFMC-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM CCN(CCC(=O)NC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000888271056 683970365 /nfs/dbraw/zinc/97/03/65/683970365.db2.gz RKYGCPOBIHYELR-UHFFFAOYSA-N -1 1 335.791 2.192 20 0 EEADMM CN(C(=O)C1(C2CC2)CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984109648 684112032 /nfs/dbraw/zinc/11/20/32/684112032.db2.gz DGNLMWKRBNZKJA-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000909492008 684174008 /nfs/dbraw/zinc/17/40/08/684174008.db2.gz RLCSELIWOVXOMM-GFCCVEGCSA-N -1 1 342.399 2.435 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978740052 693863679 /nfs/dbraw/zinc/86/36/79/693863679.db2.gz NBDVSSMZFIETLT-APIJFGDWSA-N -1 1 345.443 2.094 20 0 EEADMM Cc1csc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000978746547 693867743 /nfs/dbraw/zinc/86/77/43/693867743.db2.gz YSOQYUGGBZPVAB-TXEJJXNPSA-N -1 1 345.424 2.096 20 0 EEADMM O=C(CCC(=O)N1CCc2sccc2C1)[N-]OCc1ccccn1 ZINC000909527396 684697018 /nfs/dbraw/zinc/69/70/18/684697018.db2.gz WEZFDAOEALXLNZ-UHFFFAOYSA-N -1 1 345.424 2.056 20 0 EEADMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NNC(=O)C(C)C)cc1 ZINC000053625413 684824287 /nfs/dbraw/zinc/82/42/87/684824287.db2.gz WTRNRNCTKPSIIA-UHFFFAOYSA-N -1 1 347.444 2.110 20 0 EEADMM CC(C)[C@H](C)CC(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515063 686276511 /nfs/dbraw/zinc/27/65/11/686276511.db2.gz QQKDIEWLBIWWLP-CABCVRRESA-N -1 1 347.459 2.438 20 0 EEADMM Cc1csc(CN(C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001027380870 687813583 /nfs/dbraw/zinc/81/35/83/687813583.db2.gz NHVHDACAOAVMMK-CYBMUJFWSA-N -1 1 346.456 2.289 20 0 EEADMM C[N@@H+](CCc1ccns1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001027384817 687838860 /nfs/dbraw/zinc/83/88/60/687838860.db2.gz YPKCYPYMNRFWOL-CYBMUJFWSA-N -1 1 346.456 2.023 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029989038 688975844 /nfs/dbraw/zinc/97/58/44/688975844.db2.gz KBRCICBJEURGFK-HIFRSBDPSA-N -1 1 349.479 2.007 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000987160765 689443415 /nfs/dbraw/zinc/44/34/15/689443415.db2.gz RBKBIAWXGVCXER-RBSFLKMASA-N -1 1 345.443 2.334 20 0 EEADMM COc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000263340552 689704385 /nfs/dbraw/zinc/70/43/85/689704385.db2.gz NHZQKSUPQISYLO-WDEREUQCSA-N -1 1 340.807 2.330 20 0 EEADMM COC(=O)C[C@](C)(NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000263410419 689809759 /nfs/dbraw/zinc/80/97/59/689809759.db2.gz LFTWLBPRWHVJNN-SFHVURJKSA-N -1 1 328.368 2.348 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)C(=O)[O-] ZINC000904218794 694330396 /nfs/dbraw/zinc/33/03/96/694330396.db2.gz ONDOWYDVOKITDQ-PBHICJAKSA-N -1 1 326.396 2.323 20 0 EEADMM Cc1nc(C)n(C2CN(C(=O)c3ccc4ccc(O)cc4c3[O-])C2)n1 ZINC000897659303 691732494 /nfs/dbraw/zinc/73/24/94/691732494.db2.gz BWXHGQWIKFPBTJ-UHFFFAOYSA-N -1 1 338.367 2.156 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)C2(C)CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000989705430 692196503 /nfs/dbraw/zinc/19/65/03/692196503.db2.gz UTNUYPWIULOXCJ-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM COCc1nc(NC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc(=O)[n-]1 ZINC000893487504 692358612 /nfs/dbraw/zinc/35/86/12/692358612.db2.gz KQIWYLXLCNWMJM-CXAGYDPISA-N -1 1 333.363 2.046 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C[C@@H]1C=CCCC1)C(=O)c1ncccc1[O-] ZINC000977598167 692832799 /nfs/dbraw/zinc/83/27/99/692832799.db2.gz GXBOYCNRAVKOAB-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)C(F)=C1CCCC1)C(=O)c1ncccc1[O-] ZINC000977619416 692852591 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Cc1c(C(=O)[N-]N2C(=O)[C@@H](C)N(C)C2=O)oc2c1c(C)ccc2C ZINC000899028417 693572930 /nfs/dbraw/zinc/57/29/30/693572930.db2.gz DGDDKITWSDPYSS-LLVKDONJSA-N -1 1 329.356 2.285 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000899085824 693602950 /nfs/dbraw/zinc/60/29/50/693602950.db2.gz UNHXRMWQLZCVAL-JTQLQIEISA-N -1 1 334.326 2.227 20 0 EEADMM CC1=CC[C@@](C)(C(=O)N2CCCC[C@H](NC(=O)c3cnn[nH]3)C2)CC1 ZINC000943361356 1192221903 /nfs/dbraw/zinc/22/19/03/1192221903.db2.gz DEWLPUGSZUBFGD-KBXCAEBGSA-N -1 1 345.447 2.052 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C1CC1)C(C)(C)CO ZINC001771708053 1180903487 /nfs/dbraw/zinc/90/34/87/1180903487.db2.gz LPJWLESWKJYTMQ-CQSZACIVSA-N -1 1 349.399 2.049 20 0 EEADMM CC(C)C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001408958865 1183910696 /nfs/dbraw/zinc/91/06/96/1183910696.db2.gz YZELUQIXMDOROK-AWEZNQCLSA-N -1 1 327.384 2.031 20 0 EEADMM CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cn1 ZINC001269354658 1184201942 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20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001610537968 1352241409 /nfs/dbraw/zinc/24/14/09/1352241409.db2.gz FWKUJWSRNMHVTQ-MCIONIFRSA-N -1 1 336.457 2.167 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)cc2s1 ZINC001610561112 1352244902 /nfs/dbraw/zinc/24/49/02/1352244902.db2.gz GBACBIIJSKXTAS-NSHDSACASA-N -1 1 347.440 2.226 20 0 EEADMM NC(=O)c1cnccc1N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001610640222 1352256845 /nfs/dbraw/zinc/25/68/45/1352256845.db2.gz VVMJZFRSHKQFCH-UHFFFAOYSA-N -1 1 339.395 2.338 20 0 EEADMM O=C([O-])c1ccc(Br)cc1COCCc1c[nH]nn1 ZINC001610819705 1352280141 /nfs/dbraw/zinc/28/01/41/1352280141.db2.gz NTMGKOLPMDXWLT-UHFFFAOYSA-N -1 1 326.150 2.025 20 0 EEADMM O=C([O-])c1ccc(COCCc2c[nH]nn2)c(Br)c1 ZINC001610829222 1352281488 /nfs/dbraw/zinc/28/14/88/1352281488.db2.gz LJAKISFNTIYGOP-UHFFFAOYSA-N -1 1 326.150 2.025 20 0 EEADMM CCC(C)(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001430849464 1340352668 /nfs/dbraw/zinc/35/26/68/1340352668.db2.gz OJPDITDGKLBUNG-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM COc1cc(Cl)c(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001579929326 1344433661 /nfs/dbraw/zinc/43/36/61/1344433661.db2.gz FHKPMCXCNVYGEF-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM COc1cc(Cl)c(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001579929326 1344433666 /nfs/dbraw/zinc/43/36/66/1344433666.db2.gz FHKPMCXCNVYGEF-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM COc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1OC ZINC001580044344 1344456731 /nfs/dbraw/zinc/45/67/31/1344456731.db2.gz XRWMHPDNQNNLPE-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC001580870547 1344566611 /nfs/dbraw/zinc/56/66/11/1344566611.db2.gz IJXGHIIGRWPKMC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC001580870547 1344566612 /nfs/dbraw/zinc/56/66/12/1344566612.db2.gz IJXGHIIGRWPKMC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001581138162 1344591492 /nfs/dbraw/zinc/59/14/92/1344591492.db2.gz SGLLAXXKMNOSGX-UHFFFAOYSA-N -1 1 342.384 2.233 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001581138162 1344591499 /nfs/dbraw/zinc/59/14/99/1344591499.db2.gz SGLLAXXKMNOSGX-UHFFFAOYSA-N -1 1 342.384 2.233 20 0 EEADMM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581259574 1344608506 /nfs/dbraw/zinc/60/85/06/1344608506.db2.gz FIJYLZYCYCOTLY-LBPRGKRZSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581259574 1344608508 /nfs/dbraw/zinc/60/85/08/1344608508.db2.gz FIJYLZYCYCOTLY-LBPRGKRZSA-N -1 1 338.371 2.114 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccnc2ccccc21 ZINC001582551383 1344762047 /nfs/dbraw/zinc/76/20/47/1344762047.db2.gz HQTCAEUVBAWIKT-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(SC(F)(F)F)o1 ZINC001582631743 1344771011 /nfs/dbraw/zinc/77/10/11/1344771011.db2.gz OKKCOQDGAJCKFO-UHFFFAOYSA-N -1 1 345.266 2.047 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(SC(F)(F)F)o1 ZINC001582631743 1344771017 /nfs/dbraw/zinc/77/10/17/1344771017.db2.gz OKKCOQDGAJCKFO-UHFFFAOYSA-N -1 1 345.266 2.047 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2ccc(Cl)cc2n1 ZINC001582649650 1344777508 /nfs/dbraw/zinc/77/75/08/1344777508.db2.gz BRIFKPOKJGCLDY-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM CC(C)(C)Cc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)n[nH]1 ZINC001589133009 1348963226 /nfs/dbraw/zinc/96/32/26/1348963226.db2.gz YSIJMJCDVCYECO-UHFFFAOYSA-N -1 1 331.405 2.492 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccnc2-c2nnn[n-]2)C1 ZINC001589164776 1348966336 /nfs/dbraw/zinc/96/63/36/1348966336.db2.gz BXXCIRIDNCPTLG-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccnc2-c2nn[n-]n2)C1 ZINC001589164776 1348966342 /nfs/dbraw/zinc/96/63/42/1348966342.db2.gz BXXCIRIDNCPTLG-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(CO)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccs1 ZINC001589293850 1348979871 /nfs/dbraw/zinc/97/98/71/1348979871.db2.gz OSAKNZVTUCHGOT-GFCCVEGCSA-N -1 1 347.400 2.011 20 0 EEADMM CC(C)(CO)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccs1 ZINC001589293850 1348979873 /nfs/dbraw/zinc/97/98/73/1348979873.db2.gz OSAKNZVTUCHGOT-GFCCVEGCSA-N -1 1 347.400 2.011 20 0 EEADMM CC(C)[C@H]1CCCCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589508293 1348998550 /nfs/dbraw/zinc/99/85/50/1348998550.db2.gz YMCCCUBNBWGEKS-SNVBAGLBSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589796757 1349045536 /nfs/dbraw/zinc/04/55/36/1349045536.db2.gz OEKBAMLPQCGYKQ-SECBINFHSA-N -1 1 341.412 2.109 20 0 EEADMM C[C@H](COCC(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001589885946 1349055357 /nfs/dbraw/zinc/05/53/57/1349055357.db2.gz YOWCRYVXQSTNGE-GFCCVEGCSA-N -1 1 342.355 2.323 20 0 EEADMM C[C@H](COCC(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001589885946 1349055363 /nfs/dbraw/zinc/05/53/63/1349055363.db2.gz YOWCRYVXQSTNGE-GFCCVEGCSA-N -1 1 342.355 2.323 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1ccccc1 ZINC001589926281 1349064626 /nfs/dbraw/zinc/06/46/26/1349064626.db2.gz KHFJQAVJNKPZOY-CHWSQXEVSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1ccccc1 ZINC001589926281 1349064631 /nfs/dbraw/zinc/06/46/31/1349064631.db2.gz KHFJQAVJNKPZOY-CHWSQXEVSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@@]1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCc2ccccc21 ZINC001590071038 1349136533 /nfs/dbraw/zinc/13/65/33/1349136533.db2.gz QXUWZPTUBBSOMO-GOSISDBHSA-N -1 1 335.367 2.415 20 0 EEADMM CC1(C)CCC[C@@]1(O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590098426 1349154394 /nfs/dbraw/zinc/15/43/94/1349154394.db2.gz RJWVXIIPVARNDR-QGZVFWFLSA-N -1 1 339.403 2.163 20 0 EEADMM CC1(C)CCC[C@@]1(O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590098426 1349154398 /nfs/dbraw/zinc/15/43/98/1349154398.db2.gz RJWVXIIPVARNDR-QGZVFWFLSA-N -1 1 339.403 2.163 20 0 EEADMM CC1(C)N[C@H](c2csc(-c3nn[n-]n3)c2)N(c2ccccc2)C1=O ZINC001590115002 1349161578 /nfs/dbraw/zinc/16/15/78/1349161578.db2.gz NLKXXHZSVPOYHQ-AWEZNQCLSA-N -1 1 340.412 2.342 20 0 EEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590181401 1349185827 /nfs/dbraw/zinc/18/58/27/1349185827.db2.gz PKMXJDFOGZJODD-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590181401 1349185832 /nfs/dbraw/zinc/18/58/32/1349185832.db2.gz PKMXJDFOGZJODD-IUODEOHRSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590242115 1349221401 /nfs/dbraw/zinc/22/14/01/1349221401.db2.gz ZKUUNBNSFLCKTH-GBOPCIDUSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590242115 1349221407 /nfs/dbraw/zinc/22/14/07/1349221407.db2.gz ZKUUNBNSFLCKTH-GBOPCIDUSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC001590270398 1349241784 /nfs/dbraw/zinc/24/17/84/1349241784.db2.gz VSCLJPOIQMIGEP-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590270398 1349241790 /nfs/dbraw/zinc/24/17/90/1349241790.db2.gz VSCLJPOIQMIGEP-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@H](C2CC2)O1 ZINC001590314029 1349260448 /nfs/dbraw/zinc/26/04/48/1349260448.db2.gz PWTSKJZLNMJKLH-APPDUMDISA-N -1 1 336.399 2.419 20 0 EEADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@H](C2CC2)O1 ZINC001590314029 1349260450 /nfs/dbraw/zinc/26/04/50/1349260450.db2.gz PWTSKJZLNMJKLH-APPDUMDISA-N -1 1 336.399 2.419 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H](C)C1(F)F ZINC001590314195 1349260610 /nfs/dbraw/zinc/26/06/10/1349260610.db2.gz QRUKMERZAGZVIT-DTORHVGOSA-N -1 1 335.362 2.262 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H](C)C1(F)F ZINC001590314195 1349260619 /nfs/dbraw/zinc/26/06/19/1349260619.db2.gz QRUKMERZAGZVIT-DTORHVGOSA-N -1 1 335.362 2.262 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001590401354 1349304397 /nfs/dbraw/zinc/30/43/97/1349304397.db2.gz YMYPPOJPVOVZPC-GMSGAONNSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001590401354 1349304403 /nfs/dbraw/zinc/30/44/03/1349304403.db2.gz YMYPPOJPVOVZPC-GMSGAONNSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n1 ZINC001590417300 1349314751 /nfs/dbraw/zinc/31/47/51/1349314751.db2.gz ZNLPCCQILLUCHP-JTQLQIEISA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@H](C)Oc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n1 ZINC001590417300 1349314754 /nfs/dbraw/zinc/31/47/54/1349314754.db2.gz ZNLPCCQILLUCHP-JTQLQIEISA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC001590477137 1349349951 /nfs/dbraw/zinc/34/99/51/1349349951.db2.gz NUKJHBJCBJKKHD-CYBMUJFWSA-N -1 1 347.419 2.495 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001590677845 1349386049 /nfs/dbraw/zinc/38/60/49/1349386049.db2.gz FYVGMUBNKRHZKL-NSHDSACASA-N -1 1 338.371 2.191 20 0 EEADMM COC1(c2ccccc2)CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591346276 1349466078 /nfs/dbraw/zinc/46/60/78/1349466078.db2.gz GNVJMKZEQRJIDO-UHFFFAOYSA-N -1 1 342.790 2.277 20 0 EEADMM COC1(c2ccccc2)CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591346276 1349466080 /nfs/dbraw/zinc/46/60/80/1349466080.db2.gz GNVJMKZEQRJIDO-UHFFFAOYSA-N -1 1 342.790 2.277 20 0 EEADMM COCCc1ccccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591447836 1349486411 /nfs/dbraw/zinc/48/64/11/1349486411.db2.gz IECNVTFETATKJW-UHFFFAOYSA-N -1 1 329.385 2.369 20 0 EEADMM COCCc1ccccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591447836 1349486414 /nfs/dbraw/zinc/48/64/14/1349486414.db2.gz IECNVTFETATKJW-UHFFFAOYSA-N -1 1 329.385 2.369 20 0 EEADMM COc1cccc([C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)o3)C2)c1 ZINC001591644019 1349522752 /nfs/dbraw/zinc/52/27/52/1349522752.db2.gz RJOHLOCFBAAVFF-HAQNSBGRSA-N -1 1 339.355 2.144 20 0 EEADMM COc1cccc([C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)o3)C2)c1 ZINC001591644019 1349522760 /nfs/dbraw/zinc/52/27/60/1349522760.db2.gz RJOHLOCFBAAVFF-HAQNSBGRSA-N -1 1 339.355 2.144 20 0 EEADMM COc1ccccc1OCCN(C)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591652891 1349525637 /nfs/dbraw/zinc/52/56/37/1349525637.db2.gz ROHWJOJBHUOEMP-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1ccccc1OCCN(C)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591652891 1349525650 /nfs/dbraw/zinc/52/56/50/1349525650.db2.gz ROHWJOJBHUOEMP-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM Cc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)n(C(C)(C)C)n1 ZINC001592031118 1349584625 /nfs/dbraw/zinc/58/46/25/1349584625.db2.gz BFFCBCBZDPODFX-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3cc(C)ccc3n2)c1-c1nnn[n-]1 ZINC001592206009 1349609243 /nfs/dbraw/zinc/60/92/43/1349609243.db2.gz FHHKAUBAVVOGFB-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3cc(C)ccc3n2)c1-c1nn[n-]n1 ZINC001592206009 1349609259 /nfs/dbraw/zinc/60/92/59/1349609259.db2.gz FHHKAUBAVVOGFB-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1[nH]nc(NCc2cnc(-c3ccncc3)s2)c1-c1nnn[n-]1 ZINC001592331268 1349622077 /nfs/dbraw/zinc/62/20/77/1349622077.db2.gz XWGXYMYVCOEFDO-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1[nH]nc(NCc2cnc(-c3ccncc3)s2)c1-c1nn[n-]n1 ZINC001592331268 1349622080 /nfs/dbraw/zinc/62/20/80/1349622080.db2.gz XWGXYMYVCOEFDO-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1nsc(NC(=O)c2nc(Cl)ccc2F)c1-c1nn[n-]n1 ZINC001592482683 1349636047 /nfs/dbraw/zinc/63/60/47/1349636047.db2.gz SKNYWVYVNQKHHS-UHFFFAOYSA-N -1 1 339.743 2.071 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H](C3CCC3)CC2)c1-c1nnn[n-]1 ZINC001592516021 1349644303 /nfs/dbraw/zinc/64/43/03/1349644303.db2.gz PUWALPXYXWLEPK-CYBMUJFWSA-N -1 1 344.419 2.134 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H](C3CCC3)CC2)c1-c1nn[n-]n1 ZINC001592516021 1349644305 /nfs/dbraw/zinc/64/43/05/1349644305.db2.gz PUWALPXYXWLEPK-CYBMUJFWSA-N -1 1 344.419 2.134 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001592534013 1349650282 /nfs/dbraw/zinc/65/02/82/1349650282.db2.gz FGBLUOGUKGHMPF-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001592534013 1349650283 /nfs/dbraw/zinc/65/02/83/1349650283.db2.gz FGBLUOGUKGHMPF-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1sc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001592541761 1349654324 /nfs/dbraw/zinc/65/43/24/1349654324.db2.gz NEBHPAXXMFRBHM-MRVPVSSYSA-N -1 1 336.812 2.431 20 0 EEADMM Cn1cc(Nc2cnc(-c3nnn[n-]3)cn2)c(C2CCCCC2)n1 ZINC001592574902 1349660491 /nfs/dbraw/zinc/66/04/91/1349660491.db2.gz SFAOCRKLVUJKSN-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM Cn1cc(Nc2cnc(-c3nn[n-]n3)cn2)c(C2CCCCC2)n1 ZINC001592574902 1349660499 /nfs/dbraw/zinc/66/04/99/1349660499.db2.gz SFAOCRKLVUJKSN-UHFFFAOYSA-N -1 1 325.380 2.182 20 0 EEADMM FC(F)(F)[C@@H]1CSCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC001592616450 1349673417 /nfs/dbraw/zinc/67/34/17/1349673417.db2.gz XXQQVSOVHXEXJD-JTQLQIEISA-N -1 1 333.339 2.330 20 0 EEADMM FC(F)(F)[C@@H]1CSCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC001592616450 1349673420 /nfs/dbraw/zinc/67/34/20/1349673420.db2.gz XXQQVSOVHXEXJD-JTQLQIEISA-N -1 1 333.339 2.330 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1F ZINC001592647325 1349692994 /nfs/dbraw/zinc/69/29/94/1349692994.db2.gz PKGGWWURMMUXMS-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1F ZINC001592647325 1349692997 /nfs/dbraw/zinc/69/29/97/1349692997.db2.gz PKGGWWURMMUXMS-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001592659085 1349702712 /nfs/dbraw/zinc/70/27/12/1349702712.db2.gz QEWPSUACEVNOPA-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001592659085 1349702715 /nfs/dbraw/zinc/70/27/15/1349702715.db2.gz QEWPSUACEVNOPA-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(NCc1csc2ccccc12)c1cccc(-c2nnn[n-]2)n1 ZINC001593153073 1349743466 /nfs/dbraw/zinc/74/34/66/1349743466.db2.gz WSVHPVKPWKYLSO-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1csc2ccccc12)c1cccc(-c2nn[n-]n2)n1 ZINC001593153073 1349743469 /nfs/dbraw/zinc/74/34/69/1349743469.db2.gz WSVHPVKPWKYLSO-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001593195497 1349744672 /nfs/dbraw/zinc/74/46/72/1349744672.db2.gz FIALXUVGUFAZQO-HLTSFMKQSA-N -1 1 349.345 2.087 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1noc2c1CCCCC2 ZINC001593202948 1349746300 /nfs/dbraw/zinc/74/63/00/1349746300.db2.gz FMUPWOCYASFPOZ-UHFFFAOYSA-N -1 1 340.343 2.082 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001593259529 1349753708 /nfs/dbraw/zinc/75/37/08/1349753708.db2.gz BKEJZLZRKFDJPZ-PHDIDXHHSA-N -1 1 335.780 2.047 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(Oc2ccccn2)c1 ZINC001593261139 1349754344 /nfs/dbraw/zinc/75/43/44/1349754344.db2.gz RRKLEIRNUKHRQL-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001593338861 1349785315 /nfs/dbraw/zinc/78/53/15/1349785315.db2.gz IMONUTNATKXHJD-CYBMUJFWSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001593338861 1349785316 /nfs/dbraw/zinc/78/53/16/1349785316.db2.gz IMONUTNATKXHJD-CYBMUJFWSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC001593348044 1349786602 /nfs/dbraw/zinc/78/66/02/1349786602.db2.gz MFJQSUTZPSOXMT-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC001593348044 1349786606 /nfs/dbraw/zinc/78/66/06/1349786606.db2.gz MFJQSUTZPSOXMT-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC2(CCCCC2)C1 ZINC001593358773 1349790022 /nfs/dbraw/zinc/79/00/22/1349790022.db2.gz OCGNDOVVDXLYHY-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC2(CCCCC2)C1 ZINC001593358773 1349790026 /nfs/dbraw/zinc/79/00/26/1349790026.db2.gz OCGNDOVVDXLYHY-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2c(F)cc(F)cc21 ZINC001593368974 1349791586 /nfs/dbraw/zinc/79/15/86/1349791586.db2.gz DIRZJURMUSZGPR-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2c(F)cc(F)cc21 ZINC001593368974 1349791591 /nfs/dbraw/zinc/79/15/91/1349791591.db2.gz DIRZJURMUSZGPR-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001593368162 1349791849 /nfs/dbraw/zinc/79/18/49/1349791849.db2.gz UROWJUZIMTYHPF-CQSZACIVSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC001593368162 1349791851 /nfs/dbraw/zinc/79/18/51/1349791851.db2.gz UROWJUZIMTYHPF-CQSZACIVSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@H]1c1ccccc1 ZINC001593370219 1349792258 /nfs/dbraw/zinc/79/22/58/1349792258.db2.gz NTRGYWZPGGABIB-ZDUSSCGKSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC2(CCCCO2)CC1 ZINC001593371205 1349792790 /nfs/dbraw/zinc/79/27/90/1349792790.db2.gz OCBKZFQKNIODOS-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCc1ccc(Cl)cc1)CCC2 ZINC001593490803 1349817150 /nfs/dbraw/zinc/81/71/50/1349817150.db2.gz OKAILHHEGSNFPD-UHFFFAOYSA-N -1 1 341.802 2.413 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cc(Cl)ccc1F)CCC2 ZINC001593492406 1349818376 /nfs/dbraw/zinc/81/83/76/1349818376.db2.gz OGVWVLAWWRIUSP-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccsc1 ZINC001593508228 1349825332 /nfs/dbraw/zinc/82/53/32/1349825332.db2.gz ZPPMKHVUOVAOOZ-LURJTMIESA-N -1 1 328.810 2.184 20 0 EEADMM OC1CCC(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001593517365 1349827957 /nfs/dbraw/zinc/82/79/57/1349827957.db2.gz KTXLTRCPEVDBMY-UHFFFAOYSA-N -1 1 342.325 2.244 20 0 EEADMM OC1CCC(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001593517365 1349827959 /nfs/dbraw/zinc/82/79/59/1349827959.db2.gz KTXLTRCPEVDBMY-UHFFFAOYSA-N -1 1 342.325 2.244 20 0 EEADMM Oc1ccc2c(c1)OCCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001593540495 1349837368 /nfs/dbraw/zinc/83/73/68/1349837368.db2.gz XBUDZUJMEZLAJN-UHFFFAOYSA-N -1 1 344.762 2.020 20 0 EEADMM Oc1ccc2c(c1)OCCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001593540495 1349837372 /nfs/dbraw/zinc/83/73/72/1349837372.db2.gz XBUDZUJMEZLAJN-UHFFFAOYSA-N -1 1 344.762 2.020 20 0 EEADMM c1c(N[C@@H]2CCOC23CCCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543183 1349838212 /nfs/dbraw/zinc/83/82/12/1349838212.db2.gz FKNIIEMANDFXLC-GFCCVEGCSA-N -1 1 327.392 2.048 20 0 EEADMM c1c(N[C@@H]2CCOC23CCCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543183 1349838219 /nfs/dbraw/zinc/83/82/19/1349838219.db2.gz FKNIIEMANDFXLC-GFCCVEGCSA-N -1 1 327.392 2.048 20 0 EEADMM c1c(NC[C@H]2CCC3(CCC3)O2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543185 1349838752 /nfs/dbraw/zinc/83/87/52/1349838752.db2.gz FMULBJAOYILDAU-LLVKDONJSA-N -1 1 327.392 2.048 20 0 EEADMM c1c(NC[C@H]2CCC3(CCC3)O2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543185 1349838749 /nfs/dbraw/zinc/83/87/49/1349838749.db2.gz FMULBJAOYILDAU-LLVKDONJSA-N -1 1 327.392 2.048 20 0 EEADMM c1cc2c(cc1CNc1n[nH]c(C3CC3)c1-c1nnn[n-]1)CCCO2 ZINC001593565869 1349853070 /nfs/dbraw/zinc/85/30/70/1349853070.db2.gz XEMNEVWMZKZRNK-UHFFFAOYSA-N -1 1 337.387 2.404 20 0 EEADMM c1cc2c(cc1CNc1n[nH]c(C3CC3)c1-c1nn[n-]n1)CCCO2 ZINC001593565869 1349853073 /nfs/dbraw/zinc/85/30/73/1349853073.db2.gz XEMNEVWMZKZRNK-UHFFFAOYSA-N -1 1 337.387 2.404 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cnc(-c4nnn[n-]4)cn3)CC1)C2 ZINC001593580954 1349862156 /nfs/dbraw/zinc/86/21/56/1349862156.db2.gz HZPBWSVVAWVPNT-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cnc(-c4nn[n-]n4)cn3)CC1)C2 ZINC001593580954 1349862159 /nfs/dbraw/zinc/86/21/59/1349862159.db2.gz HZPBWSVVAWVPNT-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1cncc(C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)c1 ZINC001593587723 1349867041 /nfs/dbraw/zinc/86/70/41/1349867041.db2.gz NSZLKYRQYZKKJC-OAHLLOKOSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)c1 ZINC001593587723 1349867046 /nfs/dbraw/zinc/86/70/46/1349867046.db2.gz NSZLKYRQYZKKJC-OAHLLOKOSA-N -1 1 336.403 2.265 20 0 EEADMM c1nnc(-c2ccc(Oc3cc(-c4nnn[n-]4)nc(C4CC4)n3)cc2)o1 ZINC001593592744 1349868732 /nfs/dbraw/zinc/86/87/32/1349868732.db2.gz BKMXMZIBELFPLI-UHFFFAOYSA-N -1 1 348.326 2.376 20 0 EEADMM c1nnc(-c2ccc(Oc3cc(-c4nn[n-]n4)nc(C4CC4)n3)cc2)o1 ZINC001593592744 1349868740 /nfs/dbraw/zinc/86/87/40/1349868740.db2.gz BKMXMZIBELFPLI-UHFFFAOYSA-N -1 1 348.326 2.376 20 0 EEADMM Cc1c(C(=O)N2CCCc3nc(C(=O)[O-])ccc32)ccc2cncn21 ZINC001599976782 1349949133 /nfs/dbraw/zinc/94/91/33/1349949133.db2.gz LONFZGUKHHCVLI-UHFFFAOYSA-N -1 1 336.351 2.329 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCCC[C@H]2COC(=O)N(C)C)n1C ZINC001599986032 1349949823 /nfs/dbraw/zinc/94/98/23/1349949823.db2.gz VJWQMDNQQHENNE-ZDUSSCGKSA-N -1 1 337.420 2.084 20 0 EEADMM Cc1cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1C1CC1 ZINC001600076923 1349966596 /nfs/dbraw/zinc/96/65/96/1349966596.db2.gz SJZSTYFVCZUAQY-CQSZACIVSA-N -1 1 347.459 2.103 20 0 EEADMM Cc1cc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)no1 ZINC001600205233 1349993093 /nfs/dbraw/zinc/99/30/93/1349993093.db2.gz FYCZBLDNBYVTTF-SFHVURJKSA-N -1 1 329.400 2.192 20 0 EEADMM Cc1ccc2c(CC(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)coc2c1 ZINC001600491084 1350064191 /nfs/dbraw/zinc/06/41/91/1350064191.db2.gz RIGNGRJIVWYGQG-AWEZNQCLSA-N -1 1 344.411 2.291 20 0 EEADMM Cc1cccc(OCCCNC(=O)CN2CCC(CC(=O)[O-])CC2)c1 ZINC001600544961 1350078539 /nfs/dbraw/zinc/07/85/39/1350078539.db2.gz RTYAAYZISYMCEB-UHFFFAOYSA-N -1 1 348.443 2.067 20 0 EEADMM Cc1ccccc1[C@H](N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001600571655 1350086313 /nfs/dbraw/zinc/08/63/13/1350086313.db2.gz OJRHSMGZPSBICP-PBHICJAKSA-N -1 1 344.386 2.194 20 0 EEADMM Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C[C@](C)(O)C(=O)[O-] ZINC001600784016 1350136550 /nfs/dbraw/zinc/13/65/50/1350136550.db2.gz BYNGIZDZYXNCPK-WBMJQRKESA-N -1 1 343.855 2.473 20 0 EEADMM Cc1nnc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])[nH]1 ZINC001600799466 1350140007 /nfs/dbraw/zinc/14/00/07/1350140007.db2.gz RTBBAFJSQFIXCB-NSHDSACASA-N -1 1 348.428 2.097 20 0 EEADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001600982978 1350182498 /nfs/dbraw/zinc/18/24/98/1350182498.db2.gz OKAQQWHZPJUISC-GOEBONIOSA-N -1 1 347.390 2.203 20 0 EEADMM Nc1nnc([C@@H]2CCCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C2)o1 ZINC001601222661 1350235518 /nfs/dbraw/zinc/23/55/18/1350235518.db2.gz IMAWGHHTKGFJLW-SNVBAGLBSA-N -1 1 336.779 2.383 20 0 EEADMM O=C(CN1C2CCC1(C(=O)[O-])CC2)Nc1nc2c(s1)CCCC2 ZINC001601303389 1350253243 /nfs/dbraw/zinc/25/32/43/1350253243.db2.gz RQIQTKJMIWRALZ-UHFFFAOYSA-N -1 1 335.429 2.042 20 0 EEADMM O=C([O-])c1nc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cs1 ZINC001601549474 1350305979 /nfs/dbraw/zinc/30/59/79/1350305979.db2.gz URFVULHNBVAQAZ-UHFFFAOYSA-N -1 1 336.760 2.301 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc2nc[nH]c21 ZINC001601566216 1350308132 /nfs/dbraw/zinc/30/81/32/1350308132.db2.gz SZCSFXGHOJTQAK-AWEZNQCLSA-N -1 1 327.315 2.128 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](NC(=O)c2coc([C@@H]3CCCN3)n2)c2ccccc21 ZINC001601574124 1350310152 /nfs/dbraw/zinc/31/01/52/1350310152.db2.gz RGNMXOKYRIZIAI-RDBSUJKOSA-N -1 1 341.367 2.142 20 0 EEADMM O=C([O-])[C@H]1CCc2sc(NC(=O)c3cccc4[nH]ncc43)nc2C1 ZINC001601630485 1350323724 /nfs/dbraw/zinc/32/37/24/1350323724.db2.gz DVEBMTULKJZSKJ-QMMMGPOBSA-N -1 1 342.380 2.461 20 0 EEADMM O=C([O-])[C@H](N[C@H]1CCC2(C[C@@H]1F)OCCO2)c1ccccc1F ZINC001601665793 1350332491 /nfs/dbraw/zinc/33/24/91/1350332491.db2.gz GULFHTYBGHKETR-MELADBBJSA-N -1 1 327.327 2.175 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CN2CCC(O)(c3c(F)cccc3F)CC2)C1(F)F ZINC001601749001 1350355482 /nfs/dbraw/zinc/35/54/82/1350355482.db2.gz JCWNFDFQAZZKJY-BXKDBHETSA-N -1 1 347.308 2.214 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H]2C(=O)[O-] ZINC001601782111 1350363035 /nfs/dbraw/zinc/36/30/35/1350363035.db2.gz QVWGHFOCJJEBCX-YWFMTQBDSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2C[C@@H](NCc3ncc(Br)s3)[C@@H]2C1 ZINC001601787098 1350364312 /nfs/dbraw/zinc/36/43/12/1350364312.db2.gz WZDOQJZMLLTLLP-FNCVBFRFSA-N -1 1 331.235 2.495 20 0 EEADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1c[nH]c2ccccc2c1=O ZINC001601866807 1350385203 /nfs/dbraw/zinc/38/52/03/1350385203.db2.gz HOTAONLUOKCFBH-QGZVFWFLSA-N -1 1 348.358 2.180 20 0 EEADMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC001602203260 1350464363 /nfs/dbraw/zinc/46/43/63/1350464363.db2.gz USRBDCLGEFMLEI-FUHWJXTLSA-N -1 1 346.427 2.184 20 0 EEADMM O=C([O-])c1ccc2c(c1)CC[C@@H](NCc1ccc(O)c(F)c1)C(=O)N2 ZINC001602414170 1350513772 /nfs/dbraw/zinc/51/37/72/1350513772.db2.gz JZFAWTDYUUIMCM-OAHLLOKOSA-N -1 1 344.342 2.273 20 0 EEADMM O=C([O-])c1cccc2[nH]c(NC(=O)[C@H]3CCN3C3CCCC3)nc21 ZINC001602453959 1350522898 /nfs/dbraw/zinc/52/28/98/1350522898.db2.gz DAAAFTOFLJOPRO-CYBMUJFWSA-N -1 1 328.372 2.217 20 0 EEADMM O=C([O-])c1cnc(CNCCc2cccc3c2OC(F)(F)O3)s1 ZINC001602523448 1350538605 /nfs/dbraw/zinc/53/86/05/1350538605.db2.gz QKOFNWQWFGIMFR-UHFFFAOYSA-N -1 1 342.323 2.495 20 0 EEADMM CC(=O)c1cccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001602978974 1350616433 /nfs/dbraw/zinc/61/64/33/1350616433.db2.gz GVSUEPHCXOHQRQ-UHFFFAOYSA-N -1 1 328.357 2.087 20 0 EEADMM CC(=O)c1cccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001602978974 1350616435 /nfs/dbraw/zinc/61/64/35/1350616435.db2.gz GVSUEPHCXOHQRQ-UHFFFAOYSA-N -1 1 328.357 2.087 20 0 EEADMM CC(=O)c1csc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1 ZINC001602980483 1350617829 /nfs/dbraw/zinc/61/78/29/1350617829.db2.gz JHBMWPNRUPGZJB-UHFFFAOYSA-N -1 1 348.413 2.172 20 0 EEADMM CC(=O)c1csc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1 ZINC001602980483 1350617834 /nfs/dbraw/zinc/61/78/34/1350617834.db2.gz JHBMWPNRUPGZJB-UHFFFAOYSA-N -1 1 348.413 2.172 20 0 EEADMM CC(C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1)=C1CCC1 ZINC001603027747 1350623867 /nfs/dbraw/zinc/62/38/67/1350623867.db2.gz HZAVWXRNQSXWHM-UHFFFAOYSA-N -1 1 349.192 2.463 20 0 EEADMM CC(C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1)=C1CCC1 ZINC001603027747 1350623873 /nfs/dbraw/zinc/62/38/73/1350623873.db2.gz HZAVWXRNQSXWHM-UHFFFAOYSA-N -1 1 349.192 2.463 20 0 EEADMM CC(=O)NC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001603045807 1350627050 /nfs/dbraw/zinc/62/70/50/1350627050.db2.gz DQBGMOJLKRJADW-AWEZNQCLSA-N -1 1 333.432 2.013 20 0 EEADMM CC(C)[C@@H](O)C1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001603231263 1350666400 /nfs/dbraw/zinc/66/64/00/1350666400.db2.gz PNVMEQQNUPBZHW-MRVPVSSYSA-N -1 1 328.829 2.186 20 0 EEADMM CC(C)Cn1ccnc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001603314174 1350686255 /nfs/dbraw/zinc/68/62/55/1350686255.db2.gz HQBGCJVMGJANCS-UHFFFAOYSA-N -1 1 338.828 2.441 20 0 EEADMM CC(C)Cn1ccnc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603314174 1350686262 /nfs/dbraw/zinc/68/62/62/1350686262.db2.gz HQBGCJVMGJANCS-UHFFFAOYSA-N -1 1 338.828 2.441 20 0 EEADMM CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603341227 1350690546 /nfs/dbraw/zinc/69/05/46/1350690546.db2.gz QXGIXWYZSIUBTF-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603341227 1350690551 /nfs/dbraw/zinc/69/05/51/1350690551.db2.gz QXGIXWYZSIUBTF-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM CC(C)c1nc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)co1 ZINC001603414469 1350702465 /nfs/dbraw/zinc/70/24/65/1350702465.db2.gz UZLYXZVECDNFRO-UHFFFAOYSA-N -1 1 348.750 2.384 20 0 EEADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1c[nH]c2ccccc21 ZINC001603449452 1350707163 /nfs/dbraw/zinc/70/71/63/1350707163.db2.gz RQNACBRPTZDCKS-SECBINFHSA-N -1 1 336.359 2.203 20 0 EEADMM C[C@H](CCc1cccn1C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603499739 1350713526 /nfs/dbraw/zinc/71/35/26/1350713526.db2.gz VOXRBKAXQHPZSH-LLVKDONJSA-N -1 1 342.378 2.095 20 0 EEADMM C[C@H](CCc1cccn1C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603499739 1350713532 /nfs/dbraw/zinc/71/35/32/1350713532.db2.gz VOXRBKAXQHPZSH-LLVKDONJSA-N -1 1 342.378 2.095 20 0 EEADMM C[C@H](CSCc1ccccc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001603571221 1350722100 /nfs/dbraw/zinc/72/21/00/1350722100.db2.gz FVNDVWFGIBSSEB-SNVBAGLBSA-N -1 1 343.416 2.098 20 0 EEADMM C[C@H](c1ccccc1)[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603735521 1350754200 /nfs/dbraw/zinc/75/42/00/1350754200.db2.gz RQYBMEVPQFSGTP-YGRLFVJLSA-N -1 1 343.412 2.275 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603810010 1350773509 /nfs/dbraw/zinc/77/35/09/1350773509.db2.gz QBKDSYPRAHGVSW-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603810010 1350773514 /nfs/dbraw/zinc/77/35/14/1350773514.db2.gz QBKDSYPRAHGVSW-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001603810009 1350773568 /nfs/dbraw/zinc/77/35/68/1350773568.db2.gz QBKDSYPRAHGVSW-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001603810009 1350773571 /nfs/dbraw/zinc/77/35/71/1350773571.db2.gz QBKDSYPRAHGVSW-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@]1(F)Cl ZINC001603808152 1350774027 /nfs/dbraw/zinc/77/40/27/1350774027.db2.gz LFORQUWTPJVDHZ-QWHCGFSZSA-N -1 1 328.706 2.477 20 0 EEADMM C[C@@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@]1(F)Cl ZINC001603808152 1350774033 /nfs/dbraw/zinc/77/40/33/1350774033.db2.gz LFORQUWTPJVDHZ-QWHCGFSZSA-N -1 1 328.706 2.477 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001603854296 1350783873 /nfs/dbraw/zinc/78/38/73/1350783873.db2.gz QDFZRVQMMLQZCU-NXEZZACHSA-N -1 1 342.428 2.362 20 0 EEADMM C[C@H]1CCCCN1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603896316 1350796786 /nfs/dbraw/zinc/79/67/86/1350796786.db2.gz QEWQUOARRVWOPW-VIFPVBQESA-N -1 1 336.346 2.229 20 0 EEADMM C[C@H]1CCCCN1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603896316 1350796789 /nfs/dbraw/zinc/79/67/89/1350796789.db2.gz QEWQUOARRVWOPW-VIFPVBQESA-N -1 1 336.346 2.229 20 0 EEADMM CC/C(C)=C/C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603990551 1350822920 /nfs/dbraw/zinc/82/29/20/1350822920.db2.gz LUWFBCJPDYUXRP-DDXVTDLHSA-N -1 1 349.464 2.295 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001604002613 1350826753 /nfs/dbraw/zinc/82/67/53/1350826753.db2.gz HZAIESGTHUHFMU-QGZVFWFLSA-N -1 1 336.432 2.004 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001604014675 1350830200 /nfs/dbraw/zinc/83/02/00/1350830200.db2.gz BOZPZRBORCZZLQ-ZETCQYMHSA-N -1 1 330.364 2.276 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001604014675 1350830202 /nfs/dbraw/zinc/83/02/02/1350830202.db2.gz BOZPZRBORCZZLQ-ZETCQYMHSA-N -1 1 330.364 2.276 20 0 EEADMM CC[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001604048859 1350838750 /nfs/dbraw/zinc/83/87/50/1350838750.db2.gz HYEJYZHKGMCRAE-ZCFIWIBFSA-N -1 1 327.801 2.287 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC001604110420 1350860903 /nfs/dbraw/zinc/86/09/03/1350860903.db2.gz IOELZJKGVHJGBB-GFCCVEGCSA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC001604110420 1350860907 /nfs/dbraw/zinc/86/09/07/1350860907.db2.gz IOELZJKGVHJGBB-GFCCVEGCSA-N -1 1 336.355 2.080 20 0 EEADMM CC/C=C/CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001604120569 1350865547 /nfs/dbraw/zinc/86/55/47/1350865547.db2.gz VPEXPLAWXYNVQC-SNAWJCMRSA-N -1 1 326.360 2.255 20 0 EEADMM CC/C=C/CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001604120569 1350865555 /nfs/dbraw/zinc/86/55/55/1350865555.db2.gz VPEXPLAWXYNVQC-SNAWJCMRSA-N -1 1 326.360 2.255 20 0 EEADMM CCC[C@H](CC)C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001604137869 1350870153 /nfs/dbraw/zinc/87/01/53/1350870153.db2.gz GMQHDEWRIPHFSJ-JTQLQIEISA-N -1 1 330.392 2.099 20 0 EEADMM C[C@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(C(=O)[O-])c1 ZINC001604329374 1350916608 /nfs/dbraw/zinc/91/66/08/1350916608.db2.gz JGVVUTJJSIOJQT-FZMZJTMJSA-N -1 1 343.358 2.375 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001604478688 1350946803 /nfs/dbraw/zinc/94/68/03/1350946803.db2.gz MRHPCOUJWUNHHK-MNOVXSKESA-N -1 1 347.448 2.400 20 0 EEADMM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001604478688 1350946804 /nfs/dbraw/zinc/94/68/04/1350946804.db2.gz MRHPCOUJWUNHHK-MNOVXSKESA-N -1 1 347.448 2.400 20 0 EEADMM CCc1nc(N[C@H]2CCc3ccccc3OC2)cc(-c2nnn[n-]2)n1 ZINC001604562298 1350961459 /nfs/dbraw/zinc/96/14/59/1350961459.db2.gz PWLFNYKITMRSKF-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM CCc1nc(N[C@H]2CCc3ccccc3OC2)cc(-c2nn[n-]n2)n1 ZINC001604562298 1350961463 /nfs/dbraw/zinc/96/14/63/1350961463.db2.gz PWLFNYKITMRSKF-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM C[C@H]1[C@H](C)N(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CCN1C ZINC001604637116 1350974554 /nfs/dbraw/zinc/97/45/54/1350974554.db2.gz HBDNZHGPXXUFDF-UWVGGRQHSA-N -1 1 340.449 2.062 20 0 EEADMM COC(=Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001604900246 1351028236 /nfs/dbraw/zinc/02/82/36/1351028236.db2.gz ORLQWFVITUDRBC-DHDCSXOGSA-N -1 1 337.339 2.198 20 0 EEADMM COC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001604904176 1351028997 /nfs/dbraw/zinc/02/89/97/1351028997.db2.gz BJNIIEASELSYMW-GFCCVEGCSA-N -1 1 330.392 2.043 20 0 EEADMM COC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001604904176 1351029000 /nfs/dbraw/zinc/02/90/00/1351029000.db2.gz BJNIIEASELSYMW-GFCCVEGCSA-N -1 1 330.392 2.043 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001604929706 1351033635 /nfs/dbraw/zinc/03/36/35/1351033635.db2.gz YKMKWWWMOITWKY-ZVZYQTTQSA-N -1 1 332.444 2.482 20 0 EEADMM CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccn1 ZINC001605216326 1351105919 /nfs/dbraw/zinc/10/59/19/1351105919.db2.gz UYRACJZZMXTRPI-GDBMZVCRSA-N -1 1 348.447 2.113 20 0 EEADMM COc1cccc2sc(NC(=O)c3coc(-c4nnn[n-]4)c3)nc21 ZINC001605325060 1351136889 /nfs/dbraw/zinc/13/68/89/1351136889.db2.gz HKJITICJKKCCLC-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM COc1cccc2sc(NC(=O)c3coc(-c4nn[n-]n4)c3)nc21 ZINC001605325060 1351136891 /nfs/dbraw/zinc/13/68/91/1351136891.db2.gz HKJITICJKKCCLC-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM COc1ncc(Cn2c(C)c(C)nc2-c2nn[n-]n2)c2ccccc21 ZINC001605344784 1351141661 /nfs/dbraw/zinc/14/16/61/1351141661.db2.gz WLTQIRYTQJCXOP-UHFFFAOYSA-N -1 1 335.371 2.285 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001605560455 1351190670 /nfs/dbraw/zinc/19/06/70/1351190670.db2.gz USGVGDVVUTUXIP-GXSJLCMTSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001605560455 1351190674 /nfs/dbraw/zinc/19/06/74/1351190674.db2.gz USGVGDVVUTUXIP-GXSJLCMTSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC001605568931 1351191620 /nfs/dbraw/zinc/19/16/20/1351191620.db2.gz XEOZAQMBMIFQLQ-CABCVRRESA-N -1 1 339.403 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC001605568931 1351191622 /nfs/dbraw/zinc/19/16/22/1351191622.db2.gz XEOZAQMBMIFQLQ-CABCVRRESA-N -1 1 339.403 2.135 20 0 EEADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605760843 1351221741 /nfs/dbraw/zinc/22/17/41/1351221741.db2.gz RITNMRWMNJDBQN-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc(C)c2F)c1-c1nnn[n-]1 ZINC001605902235 1351250717 /nfs/dbraw/zinc/25/07/17/1351250717.db2.gz GCDZKSNVZASOMO-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc(C)c2F)c1-c1nn[n-]n1 ZINC001605902235 1351250720 /nfs/dbraw/zinc/25/07/20/1351250720.db2.gz GCDZKSNVZASOMO-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001605904334 1351250850 /nfs/dbraw/zinc/25/08/50/1351250850.db2.gz UFBZXQQZQATGEA-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605904334 1351250851 /nfs/dbraw/zinc/25/08/51/1351250851.db2.gz UFBZXQQZQATGEA-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001605929918 1351255730 /nfs/dbraw/zinc/25/57/30/1351255730.db2.gz RFBXXJISZLVWQV-LBPRGKRZSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1cccc2c1OCC[C@@H]2OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001605929918 1351255733 /nfs/dbraw/zinc/25/57/33/1351255733.db2.gz RFBXXJISZLVWQV-LBPRGKRZSA-N -1 1 326.312 2.449 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001606139831 1351278153 /nfs/dbraw/zinc/27/81/53/1351278153.db2.gz QGIKATNOEIKDMN-UHFFFAOYSA-N -1 1 332.444 2.312 20 0 EEADMM Fc1ccc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1 ZINC001606316971 1351291956 /nfs/dbraw/zinc/29/19/56/1351291956.db2.gz PEIYIIICJRAGJR-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2C3CCC2CC3)cc(C(=O)[O-])c1 ZINC001606549208 1351320935 /nfs/dbraw/zinc/32/09/35/1351320935.db2.gz GYYHZHWDPPDXAM-SFNBMPIDSA-N -1 1 346.383 2.125 20 0 EEADMM O=C(NC12CCC(CC1)CC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606644971 1351336798 /nfs/dbraw/zinc/33/67/98/1351336798.db2.gz JELYNFDRPAWAOS-UHFFFAOYSA-N -1 1 332.795 2.368 20 0 EEADMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606655710 1351337897 /nfs/dbraw/zinc/33/78/97/1351337897.db2.gz CTIHXRILNQDKPF-CABCVRRESA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606655710 1351337898 /nfs/dbraw/zinc/33/78/98/1351337898.db2.gz CTIHXRILNQDKPF-CABCVRRESA-N -1 1 348.410 2.403 20 0 EEADMM O=C(NC[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606728728 1351348130 /nfs/dbraw/zinc/34/81/30/1351348130.db2.gz YZFZOIFGLLUCAU-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606728728 1351348131 /nfs/dbraw/zinc/34/81/31/1351348131.db2.gz YZFZOIFGLLUCAU-SECBINFHSA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(O)Cc1ccc(F)cc1 ZINC001606831720 1351363682 /nfs/dbraw/zinc/36/36/82/1351363682.db2.gz XNQRWGOZRCUEBJ-UHFFFAOYSA-N -1 1 348.363 2.168 20 0 EEADMM COc1c(F)nccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607009426 1351396444 /nfs/dbraw/zinc/39/64/44/1351396444.db2.gz CGPVJONBINWWCR-UHFFFAOYSA-N -1 1 330.275 2.056 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCCC[C@H]1C(F)(F)F ZINC001607025861 1351399463 /nfs/dbraw/zinc/39/94/63/1351399463.db2.gz NOFKKICHKJCHGD-NSHDSACASA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCCC[C@H]1C(F)(F)F ZINC001607025861 1351399466 /nfs/dbraw/zinc/39/94/66/1351399466.db2.gz NOFKKICHKJCHGD-NSHDSACASA-N -1 1 340.309 2.209 20 0 EEADMM COc1c(NC(=O)N2CCN(C)C[C@H]2C(C)C)cccc1C(=O)[O-] ZINC001607031668 1351401563 /nfs/dbraw/zinc/40/15/63/1351401563.db2.gz MAYFIYUCRFPWOC-AWEZNQCLSA-N -1 1 335.404 2.197 20 0 EEADMM COc1cc(-c2nc(CN3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cs2)ccc1O ZINC001607046068 1351404041 /nfs/dbraw/zinc/40/40/41/1351404041.db2.gz KGJTVECIGOAYBG-JYAVWHMHSA-N -1 1 346.408 2.287 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CC[C@@H]1CCCC1(F)F)CCC2 ZINC001607088783 1351413336 /nfs/dbraw/zinc/41/33/36/1351413336.db2.gz AXGVOGHFLLMMHP-NSHDSACASA-N -1 1 335.358 2.343 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCCc2ccncc2)c2ccccc21 ZINC001607091268 1351414277 /nfs/dbraw/zinc/41/42/77/1351414277.db2.gz CIJZHJDNYIUJIU-UHFFFAOYSA-N -1 1 332.367 2.209 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001607102269 1351419163 /nfs/dbraw/zinc/41/91/63/1351419163.db2.gz VCYSCUCAPJRANE-XHNCKOQMSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001607102269 1351419165 /nfs/dbraw/zinc/41/91/65/1351419165.db2.gz VCYSCUCAPJRANE-XHNCKOQMSA-N -1 1 340.840 2.106 20 0 EEADMM c1ccc(CC[C@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)cc1 ZINC001607128035 1351430396 /nfs/dbraw/zinc/43/03/96/1351430396.db2.gz CIQAAGIGBKNFIL-HNNXBMFYSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc(CC[C@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)cc1 ZINC001607128035 1351430400 /nfs/dbraw/zinc/43/04/00/1351430400.db2.gz CIQAAGIGBKNFIL-HNNXBMFYSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001607132028 1351432788 /nfs/dbraw/zinc/43/27/88/1351432788.db2.gz UDMMBNCFXMXSMY-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001607132028 1351432790 /nfs/dbraw/zinc/43/27/90/1351432790.db2.gz UDMMBNCFXMXSMY-VMZNBEPHSA-N -1 1 333.399 2.262 20 0 EEADMM c1nc2ccccc2n1[C@H]1CCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001607132248 1351433765 /nfs/dbraw/zinc/43/37/65/1351433765.db2.gz ZHAKJUXKBUBKRX-ZDUSSCGKSA-N -1 1 332.371 2.063 20 0 EEADMM c1nc2ccccc2n1[C@H]1CCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001607132248 1351433766 /nfs/dbraw/zinc/43/37/66/1351433766.db2.gz ZHAKJUXKBUBKRX-ZDUSSCGKSA-N -1 1 332.371 2.063 20 0 EEADMM COc1cc(OC)c(CN[C@H](CC(F)(F)F)C(=O)[O-])cc1F ZINC001607183726 1351444672 /nfs/dbraw/zinc/44/46/72/1351444672.db2.gz WVOGWGIKDNWPHK-SECBINFHSA-N -1 1 325.258 2.338 20 0 EEADMM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@H]1CCN1C(C)(C)C)CC2 ZINC001607211891 1351449994 /nfs/dbraw/zinc/44/99/94/1351449994.db2.gz GZZYUHMGKXMHDM-OAHLLOKOSA-N -1 1 346.427 2.151 20 0 EEADMM COc1ccc(/C(C)=C/C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC001607220593 1351451792 /nfs/dbraw/zinc/45/17/92/1351451792.db2.gz RWELZMNPAZMVPN-ZQHYZAEZSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001607295101 1351466778 /nfs/dbraw/zinc/46/67/78/1351466778.db2.gz LUZDRXSBDIBYGD-WMZOPIPTSA-N -1 1 348.443 2.230 20 0 EEADMM Cc1cc(CNCc2cn(C)nc2-c2cccnc2)oc1C(=O)[O-] ZINC001607648717 1351532751 /nfs/dbraw/zinc/53/27/51/1351532751.db2.gz SRJLUBTVNIKWRH-UHFFFAOYSA-N -1 1 326.356 2.372 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001607741493 1351550154 /nfs/dbraw/zinc/55/01/54/1351550154.db2.gz KFGLZTYNPPVQSH-JKSUJKDBSA-N -1 1 346.427 2.380 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001607755507 1351552522 /nfs/dbraw/zinc/55/25/22/1351552522.db2.gz ZJYURCGSDRHTPL-DZGCQCFKSA-N -1 1 342.399 2.091 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC001608041656 1351612281 /nfs/dbraw/zinc/61/22/81/1351612281.db2.gz CPVHGGXCOQNSER-UHFFFAOYSA-N -1 1 347.352 2.273 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccc1 ZINC001608419123 1351690732 /nfs/dbraw/zinc/69/07/32/1351690732.db2.gz JPSAHCROAFCBTK-HNNXBMFYSA-N -1 1 336.351 2.070 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N1CC[C@H](n2cccn2)C1 ZINC001626686789 1352470708 /nfs/dbraw/zinc/47/07/08/1352470708.db2.gz YRWMJVPPPDAMKW-HNNXBMFYSA-N -1 1 338.371 2.253 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1 ZINC000047521916 1352604181 /nfs/dbraw/zinc/60/41/81/1352604181.db2.gz DAASDRDJOQRZOM-UHFFFAOYSA-N -1 1 341.392 2.395 20 0 EEADMM O=C(NCCc1nc(Cc2ccccc2)no1)c1cccc([O-])c1F ZINC001640487566 1352710650 /nfs/dbraw/zinc/71/06/50/1352710650.db2.gz XDQSCDJDRNMWQM-UHFFFAOYSA-N -1 1 341.342 2.478 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)nc1 ZINC001645671311 1352794896 /nfs/dbraw/zinc/79/48/96/1352794896.db2.gz SYFZGHHAUNMQHZ-UHFFFAOYSA-N -1 1 329.360 2.220 20 0 EEADMM COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001647130012 1353155649 /nfs/dbraw/zinc/15/56/49/1353155649.db2.gz MZIIZYLWFSSUFZ-MWLCHTKSSA-N -1 1 331.290 2.483 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)[C@@H](OC)C1CC1 ZINC001647215135 1353190194 /nfs/dbraw/zinc/19/01/94/1353190194.db2.gz RTRXXRYKNSVCHR-ISVAXAHUSA-N -1 1 335.372 2.065 20 0 EEADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)[nH]1 ZINC001647260819 1353209612 /nfs/dbraw/zinc/20/96/12/1353209612.db2.gz LPBJURRFELIWRU-GHMZBOCLSA-N -1 1 331.338 2.303 20 0 EEADMM Cc1ccccc1-n1ccnc1SCC(=O)Nc1c[n-][nH]c1=O ZINC001651044654 1354037892 /nfs/dbraw/zinc/03/78/92/1354037892.db2.gz SKKRNUKXQZSAHF-UHFFFAOYSA-N -1 1 329.385 2.340 20 0 EEADMM Nn1c(Sc2cc(Cl)nc(=O)[n-]2)nnc1-c1cccs1 ZINC001651641959 1354059014 /nfs/dbraw/zinc/05/90/14/1354059014.db2.gz ZSMAAGLQQJJASJ-UHFFFAOYSA-N -1 1 326.794 2.021 20 0 EEADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](CC(N)=O)c1ccccc1 ZINC001658516261 1354362095 /nfs/dbraw/zinc/36/20/95/1354362095.db2.gz XUDHTSJIPRIUNV-CYBMUJFWSA-N -1 1 342.424 2.445 20 0 EEADMM CC[C@@H](F)C(=O)NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001388804388 1387715732 /nfs/dbraw/zinc/71/57/32/1387715732.db2.gz KGAAHLCZXXBMET-QWHCGFSZSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2c([O-])cccc2Cl)n1 ZINC000794652750 1367723256 /nfs/dbraw/zinc/72/32/56/1367723256.db2.gz KIHYCGPMHQMZRC-OQPBUACISA-N -1 1 337.763 2.339 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccc2c(c1)COC2 ZINC000346123934 1368138358 /nfs/dbraw/zinc/13/83/58/1368138358.db2.gz RDADEZFETNCQOB-UHFFFAOYSA-N -1 1 337.339 2.061 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cc(O)cc(C(N)=O)c2)ccc1Cl ZINC001185532379 1368157636 /nfs/dbraw/zinc/15/76/36/1368157636.db2.gz MNYVANGFPOUWCU-UHFFFAOYSA-N -1 1 340.788 2.254 20 0 EEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nccnc2Cl)c1 ZINC001187540531 1368247346 /nfs/dbraw/zinc/24/73/46/1368247346.db2.gz VXHHTYMTFHMJIQ-UHFFFAOYSA-N -1 1 348.167 2.282 20 0 EEADMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009321 1368338862 /nfs/dbraw/zinc/33/88/62/1368338862.db2.gz FUTSSCFBJCWQLA-MLUIRONXSA-N -1 1 326.162 2.414 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001195304832 1368515642 /nfs/dbraw/zinc/51/56/42/1368515642.db2.gz ATEHZISEMMMPMO-UHFFFAOYSA-N -1 1 346.696 2.381 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCN(CCCCC(F)(F)F)CC2)c1[O-] ZINC001195487474 1368540757 /nfs/dbraw/zinc/54/07/57/1368540757.db2.gz FYRWBLRMCWZHIB-UHFFFAOYSA-N -1 1 348.369 2.304 20 0 EEADMM COC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201283321 1368797191 /nfs/dbraw/zinc/79/71/91/1368797191.db2.gz VXBARYHNKVBXBG-ZCFIWIBFSA-N -1 1 344.191 2.362 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cc2ccccn2n1 ZINC001201769033 1368842322 /nfs/dbraw/zinc/84/23/22/1368842322.db2.gz LPZVICPSFXBADW-UHFFFAOYSA-N -1 1 342.833 2.231 20 0 EEADMM CC(C)(C)OC(=O)NCCOCC(=O)Nc1cccc(F)c1[O-] ZINC000863009844 1369555310 /nfs/dbraw/zinc/55/53/10/1369555310.db2.gz LOHQIJUASWQAKW-UHFFFAOYSA-N -1 1 328.340 2.011 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000886916139 1369706971 /nfs/dbraw/zinc/70/69/71/1369706971.db2.gz PCWUAODCABVCAN-SSDOTTSWSA-N -1 1 329.282 2.205 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])c(C)c1 ZINC001389289551 1388023401 /nfs/dbraw/zinc/02/34/01/1388023401.db2.gz YYKKAYPNBKNNNQ-CQSZACIVSA-N -1 1 341.411 2.261 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2C1 ZINC000901443761 1369939316 /nfs/dbraw/zinc/93/93/16/1369939316.db2.gz AGHPJBLOCYHMQT-XHDPSFHLSA-N -1 1 327.384 2.480 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1CO ZINC000688755762 1369943628 /nfs/dbraw/zinc/94/36/28/1369943628.db2.gz PUIBAKMEUBLGCL-BXKDBHETSA-N -1 1 328.206 2.388 20 0 EEADMM Cc1nc(N2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1C(=O)[O-] ZINC000396403795 1370669528 /nfs/dbraw/zinc/66/95/28/1370669528.db2.gz ZIFBUFRSRHDLGE-ZDUSSCGKSA-N -1 1 326.400 2.194 20 0 EEADMM Cc1cccc(C)c1OCCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001123593122 1372160859 /nfs/dbraw/zinc/16/08/59/1372160859.db2.gz FSQKIRVULZGTSC-UHFFFAOYSA-N -1 1 333.413 2.205 20 0 EEADMM COC(=O)C12CC(C(=O)OCCc3cc(C(C)=O)ccc3[O-])(C1)C2 ZINC000830513043 1372330650 /nfs/dbraw/zinc/33/06/50/1372330650.db2.gz VKXTYIXGWGOAOO-UHFFFAOYSA-N -1 1 332.352 2.024 20 0 EEADMM CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[O-])cc2)CC1 ZINC000830843833 1372353003 /nfs/dbraw/zinc/35/30/03/1372353003.db2.gz CZAUWHXPUQAWJV-UHFFFAOYSA-N -1 1 339.395 2.313 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCN1CC(C)(C)O ZINC000832677184 1372459210 /nfs/dbraw/zinc/45/92/10/1372459210.db2.gz FSZHWQWVIZOUHA-LLVKDONJSA-N -1 1 349.456 2.034 20 0 EEADMM CCOC(=O)[C@@H]1CCN(Cc2cc(F)c([O-])c(F)c2)CCC1=O ZINC001140990414 1372731415 /nfs/dbraw/zinc/73/14/15/1372731415.db2.gz YMEOHMGPFYPCSM-LLVKDONJSA-N -1 1 327.327 2.015 20 0 EEADMM CCCC(=O)N(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001416552239 1373251258 /nfs/dbraw/zinc/25/12/58/1373251258.db2.gz UGHBSAXJXBTHBZ-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccncc2C(F)(F)F)n1 ZINC001361817955 1373341917 /nfs/dbraw/zinc/34/19/17/1373341917.db2.gz YUDRTGPYYGQTRX-UHFFFAOYSA-N -1 1 328.250 2.253 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001365048826 1373657084 /nfs/dbraw/zinc/65/70/84/1373657084.db2.gz KTDFTWAFWAWKRF-JTQLQIEISA-N -1 1 348.373 2.456 20 0 EEADMM CCCC[C@H](CNC(=O)c1occc1C)NC(=O)c1ncccc1[O-] ZINC001370061383 1374777226 /nfs/dbraw/zinc/77/72/26/1374777226.db2.gz PABWRPAKHJTAGX-CYBMUJFWSA-N -1 1 345.399 2.407 20 0 EEADMM CCCC[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001371437837 1375447482 /nfs/dbraw/zinc/44/74/82/1375447482.db2.gz RJJFVAGBVBNFOR-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM CCC1(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])CCCCC1 ZINC001372902394 1376281955 /nfs/dbraw/zinc/28/19/55/1376281955.db2.gz OJFBUQANRIVDER-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1c(C)oc(C)c1C ZINC001378451794 1379990471 /nfs/dbraw/zinc/99/04/71/1379990471.db2.gz XZHYRGWGSUNZHP-ZDUSSCGKSA-N -1 1 349.435 2.107 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCC(CCN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001378929267 1380295986 /nfs/dbraw/zinc/29/59/86/1380295986.db2.gz ZFDBEAMGTSNAMM-CYBMUJFWSA-N -1 1 337.468 2.007 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(C(C)(C)C)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001382158853 1382015021 /nfs/dbraw/zinc/01/50/21/1382015021.db2.gz SNEMFPVTMVLFNK-GFCCVEGCSA-N -1 1 345.447 2.058 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001383706361 1382652331 /nfs/dbraw/zinc/65/23/31/1382652331.db2.gz WVACZZWZSINBQD-MELADBBJSA-N -1 1 347.459 2.436 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001384538013 1384571944 /nfs/dbraw/zinc/57/19/44/1384571944.db2.gz OXDISSXVTQNPBO-NEPJUHHUSA-N -1 1 333.432 2.237 20 0 EEADMM CCC[C@@H](C)CC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385255596 1385403107 /nfs/dbraw/zinc/40/31/07/1385403107.db2.gz STXGHSRAAFNKAS-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(CCC1CCCC1)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001385493461 1385619812 /nfs/dbraw/zinc/61/98/12/1385619812.db2.gz RVVBRHMIMHUIBI-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H](CCNC(=O)C1C(C)(C)C1(C)C)NC(=O)c1ncccc1[O-] ZINC001386658559 1386244427 /nfs/dbraw/zinc/24/44/27/1386244427.db2.gz BUPPYHGURQFWMS-LLVKDONJSA-N -1 1 333.432 2.094 20 0 EEADMM CC[C@H](C)CCC(=O)N[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001386784588 1386316126 /nfs/dbraw/zinc/31/61/26/1386316126.db2.gz TWMDMQOWIISMBI-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM CC[C@@H](CNC(=O)[C@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001388139164 1387210951 /nfs/dbraw/zinc/21/09/51/1387210951.db2.gz GOMIYVCTHJIHSO-HIFRSBDPSA-N -1 1 341.411 2.216 20 0 EEADMM O=C(CC1CC1)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001391462900 1389375572 /nfs/dbraw/zinc/37/55/72/1389375572.db2.gz GNCVRWGSDQSWQU-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1)c1ccoc1 ZINC001394183385 1390639952 /nfs/dbraw/zinc/63/99/52/1390639952.db2.gz QEEKYKTZSBOQBR-CQSZACIVSA-N -1 1 343.383 2.099 20 0 EEADMM C[C@H](CNC(=O)CC(C1CC1)C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001395105029 1390786284 /nfs/dbraw/zinc/78/62/84/1390786284.db2.gz ARSDELNCDJURPU-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001396795801 1390970238 /nfs/dbraw/zinc/97/02/38/1390970238.db2.gz WPQDDAXSHOKHPQ-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001400982694 1396791187 /nfs/dbraw/zinc/79/11/87/1396791187.db2.gz URKSCVYWSHZGSY-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1ccncc1Cl ZINC001422488529 1399955695 /nfs/dbraw/zinc/95/56/95/1399955695.db2.gz BNPXHNXGWFLKNW-LLVKDONJSA-N -1 1 334.807 2.086 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1sccc1Cl)OCc1ccccc1 ZINC001423548360 1400633544 /nfs/dbraw/zinc/63/35/44/1400633544.db2.gz MMVFKQKQIWHLHS-UHFFFAOYSA-N -1 1 345.829 2.423 20 0 EEADMM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC001424114505 1400917848 /nfs/dbraw/zinc/91/78/48/1400917848.db2.gz NLMSIZFJVIVSBX-NSHDSACASA-N -1 1 344.387 2.142 20 0 EEADMM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001424235543 1400984492 /nfs/dbraw/zinc/98/44/92/1400984492.db2.gz CFLTXOPCLRCLPZ-NWDGAFQWSA-N -1 1 343.449 2.081 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H]1CCCC1(C)C ZINC001425040508 1401405417 /nfs/dbraw/zinc/40/54/17/1401405417.db2.gz RDCMYJZXHRLPFS-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1scc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001425063914 1401425208 /nfs/dbraw/zinc/42/52/08/1401425208.db2.gz BDCLRDLEWPECFC-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001426192186 1401945217 /nfs/dbraw/zinc/94/52/17/1401945217.db2.gz YHFAFQQUCUSRMW-HUUCEWRRSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(Nc1cccc2c1OCCC2=O)c1cnc(C2CC2)[n-]c1=O ZINC001433845455 1403438520 /nfs/dbraw/zinc/43/85/20/1403438520.db2.gz RJHIDGYSUGUNAR-UHFFFAOYSA-N -1 1 325.324 2.277 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575486640 1403551379 /nfs/dbraw/zinc/55/13/79/1403551379.db2.gz SCGIPEQTKJDBEM-LBPRGKRZSA-N -1 1 344.419 2.006 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575486640 1403551380 /nfs/dbraw/zinc/55/13/80/1403551380.db2.gz SCGIPEQTKJDBEM-LBPRGKRZSA-N -1 1 344.419 2.006 20 0 EEADMM C[C@@H]1Cc2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)c2O1 ZINC001576386496 1403571462 /nfs/dbraw/zinc/57/14/62/1403571462.db2.gz UAOCYYZLLVSPJS-SECBINFHSA-N -1 1 341.396 2.182 20 0 EEADMM CC[C@@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001576571126 1403584728 /nfs/dbraw/zinc/58/47/28/1403584728.db2.gz DWKKRONLNROFQZ-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM CCCC[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(C)=O ZINC001577491914 1403657627 /nfs/dbraw/zinc/65/76/27/1403657627.db2.gz ZSXJGSCTSQNJKR-QMMMGPOBSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(C)=O ZINC001577491914 1403657631 /nfs/dbraw/zinc/65/76/31/1403657631.db2.gz ZSXJGSCTSQNJKR-QMMMGPOBSA-N -1 1 343.844 2.083 20 0 EEADMM CCOc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001578400272 1403747093 /nfs/dbraw/zinc/74/70/93/1403747093.db2.gz GDXGVALJZLDWTL-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CNC(=O)N(C)c1ccc(Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001579397926 1403781644 /nfs/dbraw/zinc/78/16/44/1403781644.db2.gz KXHHGHGJNLFHSU-UHFFFAOYSA-N -1 1 344.404 2.151 20 0 EEADMM COc1cccc(C(C)=CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580060569 1403816532 /nfs/dbraw/zinc/81/65/32/1403816532.db2.gz ATPQEHNLBBNPTD-LUAWRHEFSA-N -1 1 336.355 2.312 20 0 EEADMM COc1cccc(C(C)=CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580060569 1403816537 /nfs/dbraw/zinc/81/65/37/1403816537.db2.gz ATPQEHNLBBNPTD-LUAWRHEFSA-N -1 1 336.355 2.312 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc(Cl)c2)c1 ZINC001580608425 1403862813 /nfs/dbraw/zinc/86/28/13/1403862813.db2.gz BFKSNPRBPUPLGG-UHFFFAOYSA-N -1 1 331.763 2.069 20 0 EEADMM CCC1(O)CCC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001590499671 1403882392 /nfs/dbraw/zinc/88/23/92/1403882392.db2.gz FQZZYWNIJCHTNT-UHFFFAOYSA-N -1 1 329.408 2.030 20 0 EEADMM CCC1(O)CCC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001590499671 1403882398 /nfs/dbraw/zinc/88/23/98/1403882398.db2.gz FQZZYWNIJCHTNT-UHFFFAOYSA-N -1 1 329.408 2.030 20 0 EEADMM CCOC(=O)[C@@H](CC(C)C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590752813 1403896953 /nfs/dbraw/zinc/89/69/53/1403896953.db2.gz QVSXLBMXMDWQAF-SNVBAGLBSA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@@H](CC(C)C)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590752813 1403896961 /nfs/dbraw/zinc/89/69/61/1403896961.db2.gz QVSXLBMXMDWQAF-SNVBAGLBSA-N -1 1 338.389 2.063 20 0 EEADMM CO[C@@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591334135 1403906244 /nfs/dbraw/zinc/90/62/44/1403906244.db2.gz QJSRULGKCWAGGB-ZDUSSCGKSA-N -1 1 344.396 2.229 20 0 EEADMM CSCCc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591700671 1403941451 /nfs/dbraw/zinc/94/14/51/1403941451.db2.gz WMFLDPIEJSJSFO-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM CSCCc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591700671 1403941457 /nfs/dbraw/zinc/94/14/57/1403941457.db2.gz WMFLDPIEJSJSFO-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001592134663 1404002251 /nfs/dbraw/zinc/00/22/51/1404002251.db2.gz JKOHTVSSBGPKAN-QMMMGPOBSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001592134663 1404002258 /nfs/dbraw/zinc/00/22/58/1404002258.db2.gz JKOHTVSSBGPKAN-QMMMGPOBSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1ccc(CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001592152155 1404007512 /nfs/dbraw/zinc/00/75/12/1404007512.db2.gz MWSHVXJGFALFDF-UHFFFAOYSA-N -1 1 325.347 2.287 20 0 EEADMM Cc1ccc(CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001592152155 1404007519 /nfs/dbraw/zinc/00/75/19/1404007519.db2.gz MWSHVXJGFALFDF-UHFFFAOYSA-N -1 1 325.347 2.287 20 0 EEADMM Cc1nsc(NC(=O)NCCC2(F)CCC2)c1-c1nnn[n-]1 ZINC001592481523 1404702206 /nfs/dbraw/zinc/70/22/06/1404702206.db2.gz QUPAKISLSKFGCX-UHFFFAOYSA-N -1 1 325.373 2.035 20 0 EEADMM Cc1nsc(NC(=O)NCCC2(F)CCC2)c1-c1nn[n-]n1 ZINC001592481523 1404702212 /nfs/dbraw/zinc/70/22/12/1404702212.db2.gz QUPAKISLSKFGCX-UHFFFAOYSA-N -1 1 325.373 2.035 20 0 EEADMM Cc1nsc(NCc2c(C)nc3ccccn32)c1-c1nn[n-]n1 ZINC001592492941 1404703281 /nfs/dbraw/zinc/70/32/81/1404703281.db2.gz FULYLFBIXVIBHC-UHFFFAOYSA-N -1 1 326.389 2.200 20 0 EEADMM Cc1nsc(NCc2ccnc(OCC3CC3)c2)c1-c1nn[n-]n1 ZINC001592493234 1404703606 /nfs/dbraw/zinc/70/36/06/1404703606.db2.gz UCFOJPMXESZPGZ-UHFFFAOYSA-N -1 1 343.416 2.428 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(C(F)(F)F)cc1 ZINC001592915656 1404728806 /nfs/dbraw/zinc/72/88/06/1404728806.db2.gz OXOQBOPABMHHPF-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(C(F)(F)F)cc1 ZINC001592915656 1404728813 /nfs/dbraw/zinc/72/88/13/1404728813.db2.gz OXOQBOPABMHHPF-UHFFFAOYSA-N -1 1 348.288 2.462 20 0 EEADMM O=C(Cc1ccc(F)cc1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592916961 1404729003 /nfs/dbraw/zinc/72/90/03/1404729003.db2.gz LZBRWEQJOCBZCE-UHFFFAOYSA-N -1 1 347.300 2.143 20 0 EEADMM O=C(Cc1ccc(F)cc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592916961 1404729007 /nfs/dbraw/zinc/72/90/07/1404729007.db2.gz LZBRWEQJOCBZCE-UHFFFAOYSA-N -1 1 347.300 2.143 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccsc1-c1nnn[n-]1 ZINC001593032661 1404737595 /nfs/dbraw/zinc/73/75/95/1404737595.db2.gz BTFVWSOKIPCIPP-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccsc1-c1nn[n-]n1 ZINC001593032661 1404737600 /nfs/dbraw/zinc/73/76/00/1404737600.db2.gz BTFVWSOKIPCIPP-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM CCOc1cccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001605702555 1404750588 /nfs/dbraw/zinc/75/05/88/1404750588.db2.gz PYNCROWFJODGEI-GFCCVEGCSA-N -1 1 343.383 2.468 20 0 EEADMM Cc1nc(NCC2(C(F)(F)F)CCCC2)cc(-c2nnn[n-]2)n1 ZINC001606067579 1404761461 /nfs/dbraw/zinc/76/14/61/1404761461.db2.gz PFORPKVMFCBEBP-UHFFFAOYSA-N -1 1 327.314 2.500 20 0 EEADMM Cc1nc(NCC2(C(F)(F)F)CCCC2)cc(-c2nn[n-]n2)n1 ZINC001606067579 1404761464 /nfs/dbraw/zinc/76/14/64/1404761464.db2.gz PFORPKVMFCBEBP-UHFFFAOYSA-N -1 1 327.314 2.500 20 0 EEADMM Cc1nc(Nc2ccc(Nc3ncccn3)cc2)cc(-c2nnn[n-]2)n1 ZINC001606079237 1404764625 /nfs/dbraw/zinc/76/46/25/1404764625.db2.gz FZOWZXIAEUOSLT-UHFFFAOYSA-N -1 1 346.358 2.242 20 0 EEADMM Cc1nc(Nc2ccc(Nc3ncccn3)cc2)cc(-c2nn[n-]n2)n1 ZINC001606079237 1404764627 /nfs/dbraw/zinc/76/46/27/1404764627.db2.gz FZOWZXIAEUOSLT-UHFFFAOYSA-N -1 1 346.358 2.242 20 0 EEADMM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C[C@@H]1CCCOC1 ZINC001606088696 1404766311 /nfs/dbraw/zinc/76/63/11/1404766311.db2.gz FFGUEBYLUXXMCW-LBPRGKRZSA-N -1 1 330.384 2.407 20 0 EEADMM Cc1nsc(NC(=O)[C@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 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347.383 2.209 20 0 EEADMM CCOC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001771644129 1409821122 /nfs/dbraw/zinc/82/11/22/1409821122.db2.gz OAHVPCIHQKGINP-GFCCVEGCSA-N -1 1 331.290 2.483 20 0 EEADMM O=C([O-])[C@H](Cn1cc(Cl)cn1)NCc1ccc(Br)o1 ZINC001771670180 1409906848 /nfs/dbraw/zinc/90/68/48/1409906848.db2.gz GYGREJYXNFTNHU-VIFPVBQESA-N -1 1 348.584 2.135 20 0 EEADMM Brc1cnc([N-]c2nccs2)c(N2CCOCC2)n1 ZINC001210989929 758220667 /nfs/dbraw/zinc/22/06/67/758220667.db2.gz VBKBRXDHEFCQJE-UHFFFAOYSA-N -1 1 342.222 2.276 20 0 EEADMM Cc1cc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001104935665 765606696 /nfs/dbraw/zinc/60/66/96/765606696.db2.gz UNJXIWZIDNHRSC-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM CN(C)c1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000918727067 769348998 /nfs/dbraw/zinc/34/89/98/769348998.db2.gz PUOITDKCYOUFJK-UHFFFAOYSA-N -1 1 332.381 2.224 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(Br)n1 ZINC000154873386 769522926 /nfs/dbraw/zinc/52/29/26/769522926.db2.gz 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CC1(CC(=O)N[C@H]2CC[C@H](CNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001060763361 776329277 /nfs/dbraw/zinc/32/92/77/776329277.db2.gz LLBFDGIPGUBSNC-HDJSIYSDSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000060554480 790454547 /nfs/dbraw/zinc/45/45/47/790454547.db2.gz VDOYPONEYMRJLB-UHFFFAOYSA-N -1 1 343.401 2.338 20 0 EEADMM CC1(C)CN(Cc2cscn2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000940703114 779148100 /nfs/dbraw/zinc/14/81/00/779148100.db2.gz MNOQAGVJJCONHA-CQSZACIVSA-N -1 1 346.456 2.274 20 0 EEADMM COc1ccccc1C/C(C)=C/C(=O)NCCc1n[n-]c(=S)n1C ZINC000067052015 779791369 /nfs/dbraw/zinc/79/13/69/779791369.db2.gz JQVAQCCACGHNBR-VAWYXSNFSA-N -1 1 346.456 2.334 20 0 EEADMM C[C@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945296883 783784433 /nfs/dbraw/zinc/78/44/33/783784433.db2.gz IBRXMJWSBGDKRW-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945386272 784013738 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CCCc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)sc1C ZINC000907477097 784646177 /nfs/dbraw/zinc/64/61/77/784646177.db2.gz QAPAJPUQYJHGGJ-NSHDSACASA-N -1 1 337.474 2.452 20 0 EEADMM O=C([N-]NC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccc(Cl)cc1F ZINC000186014009 784766668 /nfs/dbraw/zinc/76/66/68/784766668.db2.gz ZANFRGVUSVSUPP-UHFFFAOYSA-N -1 1 349.749 2.120 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945754314 784778559 /nfs/dbraw/zinc/77/85/59/784778559.db2.gz YPVMQSIRGVSWTE-UUJPCHCISA-N -1 1 331.416 2.110 20 0 EEADMM CCOCCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492946 784794676 /nfs/dbraw/zinc/79/46/76/784794676.db2.gz PIXWNDHEJZQVRH-LBPRGKRZSA-N -1 1 344.333 2.049 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccccc1Cl ZINC000817920050 785075109 /nfs/dbraw/zinc/07/51/09/785075109.db2.gz ZWTUSESEOHMLBX-UHFFFAOYSA-N -1 1 330.749 2.008 20 0 EEADMM O=C(NCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1)C(F)(F)F ZINC000186099994 785264345 /nfs/dbraw/zinc/26/43/45/785264345.db2.gz 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330.428 2.162 20 0 EEADMM O=C([O-])[C@H](F)C1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000910133389 786467190 /nfs/dbraw/zinc/46/71/90/786467190.db2.gz FIYPWKVREFAKQR-CYBMUJFWSA-N -1 1 337.738 2.225 20 0 EEADMM Cc1ccc2snc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c2c1 ZINC000910170955 786494203 /nfs/dbraw/zinc/49/42/03/786494203.db2.gz PRBBBEVKXKTFOV-LBPRGKRZSA-N -1 1 347.440 2.226 20 0 EEADMM CCc1nc(CNC(=O)C(F)(F)c2cnc(Cl)c(C)c2)n[nH]1 ZINC000820880368 786511470 /nfs/dbraw/zinc/51/14/70/786511470.db2.gz WJJGQSPXQFMWHH-UHFFFAOYSA-N -1 1 329.738 2.132 20 0 EEADMM C[C@H]1CCCN(C(=O)CC2CCCCC2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036512922 786563194 /nfs/dbraw/zinc/56/31/94/786563194.db2.gz MPXWLNQTSHFWKB-ZFWWWQNUSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)OCc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000910243261 786568141 /nfs/dbraw/zinc/56/81/41/786568141.db2.gz AXMLPRCXLIUFJJ-OAHLLOKOSA-N -1 1 334.416 2.347 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000910250712 786579320 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Clc1ccc(N2CCOC3(CCCCC3)C2)nc1-c1nnn[n-]1 ZINC000822578757 599055228 /nfs/dbraw/zinc/05/52/28/599055228.db2.gz PQWDAESERCZZGG-UHFFFAOYSA-N -1 1 334.811 2.455 20 0 EEADMM Clc1ccc(N2CCOC3(CCCCC3)C2)nc1-c1nn[n-]n1 ZINC000822578757 599055231 /nfs/dbraw/zinc/05/52/31/599055231.db2.gz PQWDAESERCZZGG-UHFFFAOYSA-N -1 1 334.811 2.455 20 0 EEADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821109824 599114971 /nfs/dbraw/zinc/11/49/71/599114971.db2.gz QHQWEWDLOFCNMI-CQSZACIVSA-N -1 1 330.392 2.003 20 0 EEADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821109824 599114974 /nfs/dbraw/zinc/11/49/74/599114974.db2.gz QHQWEWDLOFCNMI-CQSZACIVSA-N -1 1 330.392 2.003 20 0 EEADMM Cc1nn(-c2ccccc2)c(CS[C@@H](C)CCO)c1-c1nn[n-]n1 ZINC000822486386 599127964 /nfs/dbraw/zinc/12/79/64/599127964.db2.gz IBUCBNQJDHQELC-NSHDSACASA-N -1 1 344.444 2.365 20 0 EEADMM O=C([N-]c1c(F)cccc1F)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000823290011 607262434 /nfs/dbraw/zinc/26/24/34/607262434.db2.gz 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CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833638043 605699609 /nfs/dbraw/zinc/69/96/09/605699609.db2.gz HLWMEFUJEKPXKI-RLFYNMQTSA-N -1 1 348.443 2.003 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821824119 606137845 /nfs/dbraw/zinc/13/78/45/606137845.db2.gz HEYBQEQYGSATMD-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821824119 606137846 /nfs/dbraw/zinc/13/78/46/606137846.db2.gz HEYBQEQYGSATMD-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820211704 606138916 /nfs/dbraw/zinc/13/89/16/606138916.db2.gz VVAJBXNIHADBJZ-SSDOTTSWSA-N -1 1 334.361 2.353 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820211704 606138917 /nfs/dbraw/zinc/13/89/17/606138917.db2.gz VVAJBXNIHADBJZ-SSDOTTSWSA-N -1 1 334.361 2.353 20 0 EEADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073350 606161050 /nfs/dbraw/zinc/16/10/50/606161050.db2.gz 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O=C(N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823162609 606876550 /nfs/dbraw/zinc/87/65/50/606876550.db2.gz XSUDGMVOPGMQOL-VIFPVBQESA-N -1 1 347.787 2.445 20 0 EEADMM O=C(N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823162609 606876551 /nfs/dbraw/zinc/87/65/51/606876551.db2.gz XSUDGMVOPGMQOL-VIFPVBQESA-N -1 1 347.787 2.445 20 0 EEADMM COc1cc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821720500 606982537 /nfs/dbraw/zinc/98/25/37/606982537.db2.gz TZWQQBUGHAANCP-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1cc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821720500 606982538 /nfs/dbraw/zinc/98/25/38/606982538.db2.gz TZWQQBUGHAANCP-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821016552 607194716 /nfs/dbraw/zinc/19/47/16/607194716.db2.gz XJXYFPOBCBOKLN-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821016552 607194717 /nfs/dbraw/zinc/19/47/17/607194717.db2.gz 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EEADMM CN(Cc1cccs1)C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001610125105 1352167666 /nfs/dbraw/zinc/16/76/66/1352167666.db2.gz GEQDYELXWXBOLL-QGZVFWFLSA-N -1 1 347.440 2.081 20 0 EEADMM COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001610160046 1352176269 /nfs/dbraw/zinc/17/62/69/1352176269.db2.gz WYFBNPBXRWOXFX-SMDDNHRTSA-N -1 1 349.280 2.379 20 0 EEADMM COc1ccc([C@H](NCc2ccc(F)nc2C)C(=O)[O-])c(OC)c1 ZINC001610325718 1352205919 /nfs/dbraw/zinc/20/59/19/1352205919.db2.gz TWUZYTMXQSIRCA-INIZCTEOSA-N -1 1 334.347 2.462 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN(C)C[C@@H]2COc3ccccc3O2)n1C ZINC001610406793 1352217973 /nfs/dbraw/zinc/21/79/73/1352217973.db2.gz CNVYRDQNNTWQDT-CQSZACIVSA-N -1 1 330.384 2.304 20 0 EEADMM Cc1cc(C)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(=O)[nH]1 ZINC001610449679 1352224243 /nfs/dbraw/zinc/22/42/43/1352224243.db2.gz CRCKNSZBUBBTPL-UHFFFAOYSA-N -1 1 326.312 2.231 20 0 EEADMM Cc1cc2occ(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c2cc1C ZINC001610480386 1352229803 /nfs/dbraw/zinc/22/98/03/1352229803.db2.gz XKKIBQPXYWATNJ-AWEZNQCLSA-N -1 1 327.340 2.198 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC001610509834 1352235953 /nfs/dbraw/zinc/23/59/53/1352235953.db2.gz GQEUXEUNHWHDSM-UHFFFAOYSA-N -1 1 347.352 2.076 20 0 EEADMM Cc1nc2cc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)ccc2o1 ZINC001610561098 1352244921 /nfs/dbraw/zinc/24/49/21/1352244921.db2.gz DYXOUBWMJVMQPS-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM NC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC001610642453 1352257056 /nfs/dbraw/zinc/25/70/56/1352257056.db2.gz VUOKVYQHQLHOAV-AWEZNQCLSA-N -1 1 336.750 2.494 20 0 EEADMM O=C([O-])c1ccc(OC[C@H](O)CN2CCOC[C@@H]2CC2CCC2)cc1 ZINC001610837084 1352283031 /nfs/dbraw/zinc/28/30/31/1352283031.db2.gz VARRCZRXRIONQJ-DLBZAZTESA-N -1 1 349.427 2.016 20 0 EEADMM C[C@@H](C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cnn(C)c1 ZINC001611182293 1352296303 /nfs/dbraw/zinc/29/63/03/1352296303.db2.gz JRJZIYKMNZDVID-MRVPVSSYSA-N -1 1 346.778 2.306 20 0 EEADMM C[C@@H](C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cnn(C)c1 ZINC001611182293 1352296304 /nfs/dbraw/zinc/29/63/04/1352296304.db2.gz JRJZIYKMNZDVID-MRVPVSSYSA-N -1 1 346.778 2.306 20 0 EEADMM CCC(C)(C)CC(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001429884553 1340046821 /nfs/dbraw/zinc/04/68/21/1340046821.db2.gz NHITUDDXANKLNV-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM CCc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001431011851 1340408070 /nfs/dbraw/zinc/40/80/70/1340408070.db2.gz WQQFAEWNKCEVMN-ZDUSSCGKSA-N -1 1 341.411 2.146 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(F)CCCCC1 ZINC001432658001 1341355290 /nfs/dbraw/zinc/35/52/90/1341355290.db2.gz XKFGXXAGZBEBPA-GFCCVEGCSA-N -1 1 337.395 2.084 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001433215017 1341539812 /nfs/dbraw/zinc/53/98/12/1341539812.db2.gz ILCCNWMSTOKSJU-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](CNC(=O)c1cc(Br)ccc1[O-])Cn1ccnc1 ZINC001433718379 1341667075 /nfs/dbraw/zinc/66/70/75/1341667075.db2.gz MCYZVBHTMBKABO-JTQLQIEISA-N -1 1 338.205 2.417 20 0 EEADMM CC1(C)[C@H](c2cccc(F)c2)CCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC001573655598 1343649363 /nfs/dbraw/zinc/64/93/63/1343649363.db2.gz IIHGKXWAFBDBSP-GJZGRUSLSA-N -1 1 334.391 2.079 20 0 EEADMM CC[C@@H](C)CC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576630754 1344042071 /nfs/dbraw/zinc/04/20/71/1344042071.db2.gz WGUOOICUCWCNMF-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM CCOc1cncc(COC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001578405755 1344274796 /nfs/dbraw/zinc/27/47/96/1344274796.db2.gz VANZYZRXYNIYMY-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CN(C(=O)c1cc2ccccc2n1C)c1ccc(-c2nnn[n-]2)nc1 ZINC001578913639 1344318532 /nfs/dbraw/zinc/31/85/32/1344318532.db2.gz XXHKVEDJGMJWSS-UHFFFAOYSA-N -1 1 333.355 2.030 20 0 EEADMM CN(C(=O)c1cc2ccccc2n1C)c1ccc(-c2nn[n-]n2)nc1 ZINC001578913639 1344318539 /nfs/dbraw/zinc/31/85/39/1344318539.db2.gz XXHKVEDJGMJWSS-UHFFFAOYSA-N -1 1 333.355 2.030 20 0 EEADMM COc1c(C)cccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001579875237 1344423878 /nfs/dbraw/zinc/42/38/78/1344423878.db2.gz UFYAMSUUNWTBNU-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1c(C)cccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001579875237 1344423882 /nfs/dbraw/zinc/42/38/82/1344423882.db2.gz UFYAMSUUNWTBNU-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579929436 1344434134 /nfs/dbraw/zinc/43/41/34/1344434134.db2.gz KOLAXTGPXRJXBR-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cc(Cl)ccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579929436 1344434142 /nfs/dbraw/zinc/43/41/42/1344434142.db2.gz KOLAXTGPXRJXBR-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cccc(F)c1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580070422 1344462806 /nfs/dbraw/zinc/46/28/06/1344462806.db2.gz YNAOYSLQKYFKDF-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1cccc(F)c1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580070422 1344462809 /nfs/dbraw/zinc/46/28/09/1344462809.db2.gz YNAOYSLQKYFKDF-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ncc(NC(=O)N[C@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC001580137385 1344479735 /nfs/dbraw/zinc/47/97/35/1344479735.db2.gz YGTLWTHAUVNJIE-LBPRGKRZSA-N -1 1 343.391 2.115 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)cc2Cl)c1-c1nnn[n-]1 ZINC001581174604 1344594824 /nfs/dbraw/zinc/59/48/24/1344594824.db2.gz YMYNBSMGIKLZHG-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)cc2Cl)c1-c1nn[n-]n1 ZINC001581174604 1344594828 /nfs/dbraw/zinc/59/48/28/1344594828.db2.gz YMYNBSMGIKLZHG-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1cnc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1C ZINC001581311977 1344616067 /nfs/dbraw/zinc/61/60/67/1344616067.db2.gz JBENVLIIIYKESH-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1cnc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1C ZINC001581311977 1344616069 /nfs/dbraw/zinc/61/60/69/1344616069.db2.gz JBENVLIIIYKESH-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1onc(CC(=O)N2CCCCC[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC001581738795 1344658690 /nfs/dbraw/zinc/65/86/90/1344658690.db2.gz BJTMFYKFNNGBSO-CYBMUJFWSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCCCC[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC001581738795 1344658694 /nfs/dbraw/zinc/65/86/94/1344658694.db2.gz BJTMFYKFNNGBSO-CYBMUJFWSA-N -1 1 332.408 2.133 20 0 EEADMM O=C(CCc1ccc(C(F)F)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582059720 1344696844 /nfs/dbraw/zinc/69/68/44/1344696844.db2.gz JCIJNHSKDNUUPC-UHFFFAOYSA-N -1 1 333.302 2.099 20 0 EEADMM O=C(CCc1ccc(C(F)F)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582059720 1344696848 /nfs/dbraw/zinc/69/68/48/1344696848.db2.gz JCIJNHSKDNUUPC-UHFFFAOYSA-N -1 1 333.302 2.099 20 0 EEADMM O=C(Cc1cccc(F)c1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582147195 1344706710 /nfs/dbraw/zinc/70/67/10/1344706710.db2.gz CYLQTZXCXCYLEX-UHFFFAOYSA-N -1 1 335.339 2.065 20 0 EEADMM OCc1csc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001582813643 1344795575 /nfs/dbraw/zinc/79/55/75/1344795575.db2.gz TUGZFJUQGFMQOX-UHFFFAOYSA-N -1 1 332.823 2.077 20 0 EEADMM C=C/C(C)=C\CC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001588512271 1348911408 /nfs/dbraw/zinc/91/14/08/1348911408.db2.gz PBPJEBXHHNTAET-QCDXTXTGSA-N -1 1 344.444 2.099 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001589221724 1348971407 /nfs/dbraw/zinc/97/14/07/1348971407.db2.gz KWLHQSPYAHWXJH-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001589221724 1348971409 /nfs/dbraw/zinc/97/14/09/1348971409.db2.gz KWLHQSPYAHWXJH-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001589226959 1348972874 /nfs/dbraw/zinc/97/28/74/1348972874.db2.gz HMCQGZKCRGFNKA-UHFFFAOYSA-N -1 1 325.376 2.272 20 0 EEADMM CC(C)(C)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC001589226959 1348972875 /nfs/dbraw/zinc/97/28/75/1348972875.db2.gz HMCQGZKCRGFNKA-UHFFFAOYSA-N -1 1 325.376 2.272 20 0 EEADMM CC(C)(C)c1nnc(CNC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001589245119 1348974862 /nfs/dbraw/zinc/97/48/62/1348974862.db2.gz RSLDKRDBCYFGIZ-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM CC(C)(C)c1nnc(CNC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001589245119 1348974864 /nfs/dbraw/zinc/97/48/64/1348974864.db2.gz RSLDKRDBCYFGIZ-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM CC(C)(COC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)(F)F ZINC001589299929 1348980922 /nfs/dbraw/zinc/98/09/22/1348980922.db2.gz VIQFXRHZVCTWOM-UHFFFAOYSA-N -1 1 329.282 2.397 20 0 EEADMM CC(C)(COC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)(F)F ZINC001589299929 1348980926 /nfs/dbraw/zinc/98/09/26/1348980926.db2.gz VIQFXRHZVCTWOM-UHFFFAOYSA-N -1 1 329.282 2.397 20 0 EEADMM CC(C)(O)c1ccc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cc1 ZINC001589338562 1348984840 /nfs/dbraw/zinc/98/48/40/1348984840.db2.gz ANEAEWBKHKKUAF-UHFFFAOYSA-N -1 1 339.403 2.307 20 0 EEADMM CC(C)(O)c1ccc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc1 ZINC001589338562 1348984845 /nfs/dbraw/zinc/98/48/45/1348984845.db2.gz ANEAEWBKHKKUAF-UHFFFAOYSA-N -1 1 339.403 2.307 20 0 EEADMM CC(C)O[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001589739352 1349025668 /nfs/dbraw/zinc/02/56/68/1349025668.db2.gz HQMWKLQLKGOLGO-LBPRGKRZSA-N -1 1 339.403 2.204 20 0 EEADMM CC(C)O[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001589739352 1349025672 /nfs/dbraw/zinc/02/56/72/1349025672.db2.gz HQMWKLQLKGOLGO-LBPRGKRZSA-N -1 1 339.403 2.204 20 0 EEADMM CC(C)c1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC001589767104 1349034207 /nfs/dbraw/zinc/03/42/07/1349034207.db2.gz NZKWVHUPVLIFQQ-UHFFFAOYSA-N -1 1 333.377 2.361 20 0 EEADMM CC(C)c1ncc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001589777315 1349038094 /nfs/dbraw/zinc/03/80/94/1349038094.db2.gz QMFPZMHYZFLEMJ-UHFFFAOYSA-N -1 1 329.389 2.118 20 0 EEADMM CC(C)c1ncc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001589777315 1349038098 /nfs/dbraw/zinc/03/80/98/1349038098.db2.gz QMFPZMHYZFLEMJ-UHFFFAOYSA-N -1 1 329.389 2.118 20 0 EEADMM C[C@@H](Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589903250 1349058509 /nfs/dbraw/zinc/05/85/09/1349058509.db2.gz WMNQMMCYYDHRQN-JTQLQIEISA-N -1 1 343.391 2.229 20 0 EEADMM C[C@@H](Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589903250 1349058513 /nfs/dbraw/zinc/05/85/13/1349058513.db2.gz WMNQMMCYYDHRQN-JTQLQIEISA-N -1 1 343.391 2.229 20 0 EEADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccnn1C1CCC1 ZINC001589975809 1349088521 /nfs/dbraw/zinc/08/85/21/1349088521.db2.gz GYRQZQUXTJFQHS-SECBINFHSA-N -1 1 330.421 2.096 20 0 EEADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccnn1C1CCC1 ZINC001589975809 1349088528 /nfs/dbraw/zinc/08/85/28/1349088528.db2.gz GYRQZQUXTJFQHS-SECBINFHSA-N -1 1 330.421 2.096 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC001589986029 1349094440 /nfs/dbraw/zinc/09/44/40/1349094440.db2.gz UZNFKGHNWQXFHR-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC001589986029 1349094444 /nfs/dbraw/zinc/09/44/44/1349094444.db2.gz UZNFKGHNWQXFHR-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM CC1(C)[C@H](CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C1(F)F ZINC001590075906 1349140081 /nfs/dbraw/zinc/14/00/81/1349140081.db2.gz FEZRTPDZRMBPSW-VIFPVBQESA-N -1 1 343.284 2.166 20 0 EEADMM CC1(C)[C@H](CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C1(F)F ZINC001590075906 1349140090 /nfs/dbraw/zinc/14/00/90/1349140090.db2.gz FEZRTPDZRMBPSW-VIFPVBQESA-N -1 1 343.284 2.166 20 0 EEADMM CC1(C)CC[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])OC1 ZINC001590090079 1349149827 /nfs/dbraw/zinc/14/98/27/1349149827.db2.gz ZHRFAKJOLGPZRF-NSHDSACASA-N -1 1 331.376 2.106 20 0 EEADMM C[C@@]1(CNc2cccnc2-c2nnn[n-]2)OCCc2sccc21 ZINC001590136098 1349171007 /nfs/dbraw/zinc/17/10/07/1349171007.db2.gz QUVBVNIFOGVXPQ-HNNXBMFYSA-N -1 1 328.401 2.223 20 0 EEADMM C[C@@]1(CNc2cccnc2-c2nn[n-]n2)OCCc2sccc21 ZINC001590136098 1349171008 /nfs/dbraw/zinc/17/10/08/1349171008.db2.gz QUVBVNIFOGVXPQ-HNNXBMFYSA-N -1 1 328.401 2.223 20 0 EEADMM C[C@]1(NCc2nc(-c3nnn[n-]3)cs2)CCOc2ccccc21 ZINC001590148132 1349175736 /nfs/dbraw/zinc/17/57/36/1349175736.db2.gz FBLJTGXXESFGFK-HNNXBMFYSA-N -1 1 328.401 2.111 20 0 EEADMM C[C@]1(NCc2nc(-c3nn[n-]n3)cs2)CCOc2ccccc21 ZINC001590148132 1349175741 /nfs/dbraw/zinc/17/57/41/1349175741.db2.gz FBLJTGXXESFGFK-HNNXBMFYSA-N -1 1 328.401 2.111 20 0 EEADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001590155846 1349177662 /nfs/dbraw/zinc/17/76/62/1349177662.db2.gz BSLPHBWEZPTHLO-UHFFFAOYSA-N -1 1 336.355 2.174 20 0 EEADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001590155846 1349177664 /nfs/dbraw/zinc/17/76/64/1349177664.db2.gz BSLPHBWEZPTHLO-UHFFFAOYSA-N -1 1 336.355 2.174 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590184259 1349185152 /nfs/dbraw/zinc/18/51/52/1349185152.db2.gz FLCWASAMBKJAHD-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590184259 1349185158 /nfs/dbraw/zinc/18/51/58/1349185158.db2.gz FLCWASAMBKJAHD-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCCC[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001590252912 1349227732 /nfs/dbraw/zinc/22/77/32/1349227732.db2.gz PRWSXUBIDKZGEX-NEPJUHHUSA-N -1 1 341.415 2.374 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590483588 1349350584 /nfs/dbraw/zinc/35/05/84/1349350584.db2.gz ZBMRNDCYLGDKFS-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590483588 1349350592 /nfs/dbraw/zinc/35/05/92/1349350592.db2.gz ZBMRNDCYLGDKFS-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)CCO1 ZINC001590503153 1349357648 /nfs/dbraw/zinc/35/76/48/1349357648.db2.gz IHPWXTCSAVFRRQ-KOLCDFICSA-N -1 1 345.407 2.001 20 0 EEADMM CCCCc1nc(COC(=O)c2csc(-c3nnn[n-]3)c2)no1 ZINC001590614353 1349376649 /nfs/dbraw/zinc/37/66/49/1349376649.db2.gz LQQNRFQYBLCGBD-UHFFFAOYSA-N -1 1 334.361 2.011 20 0 EEADMM CCCCc1nc(COC(=O)c2csc(-c3nn[n-]n3)c2)no1 ZINC001590614353 1349376652 /nfs/dbraw/zinc/37/66/52/1349376652.db2.gz LQQNRFQYBLCGBD-UHFFFAOYSA-N -1 1 334.361 2.011 20 0 EEADMM CCN(CC1CC1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590690154 1349390881 /nfs/dbraw/zinc/39/08/81/1349390881.db2.gz IIVKZJRPVHSRCP-UHFFFAOYSA-N -1 1 327.801 2.240 20 0 EEADMM CN(C(=O)c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001590994069 1349428918 /nfs/dbraw/zinc/42/89/18/1349428918.db2.gz ALKAJBWYOUWLTN-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994069 1349428922 /nfs/dbraw/zinc/42/89/22/1349428922.db2.gz ALKAJBWYOUWLTN-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001591730388 1349535793 /nfs/dbraw/zinc/53/57/93/1349535793.db2.gz LAYKUMBDAJUHSV-SNVBAGLBSA-N -1 1 347.375 2.045 20 0 EEADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001591862647 1349549943 /nfs/dbraw/zinc/54/99/43/1349549943.db2.gz LRXXYTJZEMAPFC-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)[nH]n2)o1 ZINC001592073718 1349588793 /nfs/dbraw/zinc/58/87/93/1349588793.db2.gz RZYIJQWXDJCVCZ-UHFFFAOYSA-N -1 1 325.288 2.004 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)[nH]n2)o1 ZINC001592073718 1349588794 /nfs/dbraw/zinc/58/87/94/1349588794.db2.gz RZYIJQWXDJCVCZ-UHFFFAOYSA-N -1 1 325.288 2.004 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001592071918 1349589401 /nfs/dbraw/zinc/58/94/01/1349589401.db2.gz RQVMWCKLDZYLIZ-UHFFFAOYSA-N -1 1 347.382 2.188 20 0 EEADMM Cc1cc2ccccc2n1CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592071918 1349589406 /nfs/dbraw/zinc/58/94/06/1349589406.db2.gz RQVMWCKLDZYLIZ-UHFFFAOYSA-N -1 1 347.382 2.188 20 0 EEADMM Cc1ccncc1[C@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592277661 1349615693 /nfs/dbraw/zinc/61/56/93/1349615693.db2.gz QMOSZFRFRFZKFK-VIFPVBQESA-N -1 1 344.325 2.339 20 0 EEADMM Cc1ccncc1[C@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592277661 1349615698 /nfs/dbraw/zinc/61/56/98/1349615698.db2.gz QMOSZFRFRFZKFK-VIFPVBQESA-N -1 1 344.325 2.339 20 0 EEADMM Cc1csc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001592313321 1349620090 /nfs/dbraw/zinc/62/00/90/1349620090.db2.gz QCGGBWMRPATJEN-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1csc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001592313321 1349620093 /nfs/dbraw/zinc/62/00/93/1349620093.db2.gz QCGGBWMRPATJEN-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1[nH]nc(NC(=O)c2csc3c2CCCC3)c1-c1nn[n-]n1 ZINC001592331131 1349621564 /nfs/dbraw/zinc/62/15/64/1349621564.db2.gz RKMDBWKXDHFIPA-UHFFFAOYSA-N -1 1 329.389 2.091 20 0 EEADMM Cc1[nH]nc(NCc2ccc3ccc(F)c(F)c3n2)c1-c1nnn[n-]1 ZINC001592330795 1349621877 /nfs/dbraw/zinc/62/18/77/1349621877.db2.gz LYWOUQDUKBVNLQ-UHFFFAOYSA-N -1 1 342.313 2.337 20 0 EEADMM Cc1[nH]nc(NCc2ccc3ccc(F)c(F)c3n2)c1-c1nn[n-]n1 ZINC001592330795 1349621881 /nfs/dbraw/zinc/62/18/81/1349621881.db2.gz LYWOUQDUKBVNLQ-UHFFFAOYSA-N -1 1 342.313 2.337 20 0 EEADMM Cc1nc(Br)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592341055 1349623165 /nfs/dbraw/zinc/62/31/65/1349623165.db2.gz PFRWVDKEJBGKOK-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1nc(-c2nn[n-]n2)sc1-c1ccc([C@H]2CCC(=O)N2)cc1 ZINC001592340747 1349623174 /nfs/dbraw/zinc/62/31/74/1349623174.db2.gz JORIOHPRMGUHKS-LLVKDONJSA-N -1 1 326.385 2.250 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(C)C)cc2)c1-c1nnn[n-]1 ZINC001592432817 1349632112 /nfs/dbraw/zinc/63/21/12/1349632112.db2.gz KNHXLJWANWEOKE-UHFFFAOYSA-N -1 1 325.376 2.284 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(C)C)cc2)c1-c1nn[n-]n1 ZINC001592432817 1349632113 /nfs/dbraw/zinc/63/21/13/1349632113.db2.gz KNHXLJWANWEOKE-UHFFFAOYSA-N -1 1 325.376 2.284 20 0 EEADMM Cc1nsc(NC[C@@H](c2ccnn2C)C(C)C)c1-c1nn[n-]n1 ZINC001592488216 1349636766 /nfs/dbraw/zinc/63/67/66/1349636766.db2.gz YQMNMVGYCXFLSH-SNVBAGLBSA-N -1 1 332.437 2.217 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC001592501196 1349638134 /nfs/dbraw/zinc/63/81/34/1349638134.db2.gz LNSTVQVJFRHTCL-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cc2ccccc2[nH]1 ZINC001592501196 1349638136 /nfs/dbraw/zinc/63/81/36/1349638136.db2.gz LNSTVQVJFRHTCL-UHFFFAOYSA-N -1 1 336.355 2.222 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCC2(CCC2)CO1 ZINC001592503402 1349640073 /nfs/dbraw/zinc/64/00/73/1349640073.db2.gz IICMFJBPRLMGOY-LLVKDONJSA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCC2(CCC2)CO1 ZINC001592503402 1349640074 /nfs/dbraw/zinc/64/00/74/1349640074.db2.gz IICMFJBPRLMGOY-LLVKDONJSA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC001592503586 1349640203 /nfs/dbraw/zinc/64/02/03/1349640203.db2.gz SZPIPKPPKFGOKG-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnc(-c2ccccc2)nc1 ZINC001592503586 1349640204 /nfs/dbraw/zinc/64/02/04/1349640204.db2.gz SZPIPKPPKFGOKG-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CSc2ccccc21 ZINC001592503755 1349640670 /nfs/dbraw/zinc/64/06/70/1349640670.db2.gz YPQDNBGBAHKFRY-JTQLQIEISA-N -1 1 341.396 2.387 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CSc2ccccc21 ZINC001592503755 1349640673 /nfs/dbraw/zinc/64/06/73/1349640673.db2.gz YPQDNBGBAHKFRY-JTQLQIEISA-N -1 1 341.396 2.387 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC001592503212 1349640779 /nfs/dbraw/zinc/64/07/79/1349640779.db2.gz SGLIUMFMURILEK-JTQLQIEISA-N -1 1 333.417 2.031 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CC12CCSCC2 ZINC001592503212 1349640781 /nfs/dbraw/zinc/64/07/81/1349640781.db2.gz SGLIUMFMURILEK-JTQLQIEISA-N -1 1 333.417 2.031 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC001592558689 1349657846 /nfs/dbraw/zinc/65/78/46/1349657846.db2.gz GRJUTGFQLPFAQO-GRYCIOLGSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC001592558689 1349657849 /nfs/dbraw/zinc/65/78/49/1349657849.db2.gz GRJUTGFQLPFAQO-GRYCIOLGSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1ccnc1[C@@H]1N(Cc2csc(-c3nn[n-]n3)c2)CC1(C)C ZINC001592585047 1349663420 /nfs/dbraw/zinc/66/34/20/1349663420.db2.gz LJMFSTWZEODHDO-LBPRGKRZSA-N -1 1 329.433 2.245 20 0 EEADMM Cn1ncc(C2CC2)c1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592599826 1349666956 /nfs/dbraw/zinc/66/69/56/1349666956.db2.gz GAGBGTPQVACYPR-UHFFFAOYSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1ncc(C2CCC2)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592600780 1349667576 /nfs/dbraw/zinc/66/75/76/1349667576.db2.gz ZHUUIDAIYPFENB-UHFFFAOYSA-N -1 1 339.407 2.080 20 0 EEADMM Cn1ncc(C2CCC2)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592600780 1349667581 /nfs/dbraw/zinc/66/75/81/1349667581.db2.gz ZHUUIDAIYPFENB-UHFFFAOYSA-N -1 1 339.407 2.080 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2ncncc2-c2nn[n-]n2)C1 ZINC001592613930 1349671190 /nfs/dbraw/zinc/67/11/90/1349671190.db2.gz OUWQMSGPIKRAAV-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM FCC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001592631350 1349682474 /nfs/dbraw/zinc/68/24/74/1349682474.db2.gz CJPIAZOODPJHIB-NSHDSACASA-N -1 1 327.367 2.386 20 0 EEADMM FCC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001592631350 1349682480 /nfs/dbraw/zinc/68/24/80/1349682480.db2.gz CJPIAZOODPJHIB-NSHDSACASA-N -1 1 327.367 2.386 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647046 1349692866 /nfs/dbraw/zinc/69/28/66/1349692866.db2.gz HJOGXMHWRLWZGJ-TZMCWYRMSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(CSCc1ccc(Cl)cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592903290 1349727176 /nfs/dbraw/zinc/72/71/76/1349727176.db2.gz INCAQQGELPNFIC-UHFFFAOYSA-N -1 1 349.807 2.115 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1coc(-c2nnn[n-]2)c1 ZINC001592955340 1349729314 /nfs/dbraw/zinc/72/93/14/1349729314.db2.gz NYHKUYMSWZQESC-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccccn1)c1coc(-c2nn[n-]n2)c1 ZINC001592955340 1349729320 /nfs/dbraw/zinc/72/93/20/1349729320.db2.gz NYHKUYMSWZQESC-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001593242937 1349748440 /nfs/dbraw/zinc/74/84/40/1349748440.db2.gz FBMXFQGRJZXMQG-SFYZADRCSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001593242937 1349748442 /nfs/dbraw/zinc/74/84/42/1349748442.db2.gz FBMXFQGRJZXMQG-SFYZADRCSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001593244389 1349749628 /nfs/dbraw/zinc/74/96/28/1349749628.db2.gz QQJUKVYZCCYZTL-WCQYABFASA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001593244389 1349749632 /nfs/dbraw/zinc/74/96/32/1349749632.db2.gz QQJUKVYZCCYZTL-WCQYABFASA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593255054 1349751599 /nfs/dbraw/zinc/75/15/99/1349751599.db2.gz BZBQFSNTXREHRT-NWDGAFQWSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593255054 1349751603 /nfs/dbraw/zinc/75/16/03/1349751603.db2.gz BZBQFSNTXREHRT-NWDGAFQWSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N(CCC1CC1)CC1CC1 ZINC001593253810 1349752077 /nfs/dbraw/zinc/75/20/77/1349752077.db2.gz KRCOZGVNYXXDMN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N(CCC1CC1)CC1CC1 ZINC001593253810 1349752082 /nfs/dbraw/zinc/75/20/82/1349752082.db2.gz KRCOZGVNYXXDMN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593257365 1349753135 /nfs/dbraw/zinc/75/31/35/1349753135.db2.gz ZBLGSVPYKLIECW-UHFFFAOYSA-N -1 1 349.354 2.151 20 0 EEADMM O=C(Nc1cnn(C2CCC2)c1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593259143 1349754304 /nfs/dbraw/zinc/75/43/04/1349754304.db2.gz CZJCWRJUEUKPQC-UHFFFAOYSA-N -1 1 344.766 2.089 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593267445 1349756512 /nfs/dbraw/zinc/75/65/12/1349756512.db2.gz FOQXXJBAGFHNGI-NTSWFWBYSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593267445 1349756515 /nfs/dbraw/zinc/75/65/15/1349756515.db2.gz FOQXXJBAGFHNGI-NTSWFWBYSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001593292350 1349767652 /nfs/dbraw/zinc/76/76/52/1349767652.db2.gz CUKKDLQQLJFONR-UHFFFAOYSA-N -1 1 335.367 2.150 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001593292350 1349767655 /nfs/dbraw/zinc/76/76/55/1349767655.db2.gz CUKKDLQQLJFONR-UHFFFAOYSA-N -1 1 335.367 2.150 20 0 EEADMM O=C(OCCc1ccccc1)Oc1ccc(F)nc1-c1nn[n-]n1 ZINC001593292885 1349768076 /nfs/dbraw/zinc/76/80/76/1349768076.db2.gz KSNHYWFYHKHLDH-UHFFFAOYSA-N -1 1 329.291 2.159 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001593298169 1349772085 /nfs/dbraw/zinc/77/20/85/1349772085.db2.gz YUHQXMYKSCNVJW-CHWSQXEVSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001593298169 1349772091 /nfs/dbraw/zinc/77/20/91/1349772091.db2.gz YUHQXMYKSCNVJW-CHWSQXEVSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593305063 1349775429 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ZINC001605263210 1351118819 /nfs/dbraw/zinc/11/88/19/1351118819.db2.gz KAUBTFRRXMGMBB-SECBINFHSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccc([C@@H](C)COC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001605262611 1351119077 /nfs/dbraw/zinc/11/90/77/1351119077.db2.gz DDUJPQONCPNFIC-NSHDSACASA-N -1 1 339.355 2.231 20 0 EEADMM COc1ccc([C@@H](C)COC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001605262611 1351119081 /nfs/dbraw/zinc/11/90/81/1351119081.db2.gz DDUJPQONCPNFIC-NSHDSACASA-N -1 1 339.355 2.231 20 0 EEADMM COc1ccc(C[C@H](C)Nc2cccnc2-c2nnn[n-]2)cc1OC ZINC001605270318 1351121321 /nfs/dbraw/zinc/12/13/21/1351121321.db2.gz BWKKCTQRKSOIKN-NSHDSACASA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc(C[C@H](C)Nc2cccnc2-c2nn[n-]n2)cc1OC ZINC001605270318 1351121324 /nfs/dbraw/zinc/12/13/24/1351121324.db2.gz BWKKCTQRKSOIKN-NSHDSACASA-N -1 1 340.387 2.322 20 0 EEADMM COc1ncc(NC(=O)N[C@H](C)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001605348989 1351142868 /nfs/dbraw/zinc/14/28/68/1351142868.db2.gz XULLNXVONWMFTK-SECBINFHSA-N -1 1 333.396 2.217 20 0 EEADMM CSc1ccc(CCC(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1 ZINC001605383005 1351149951 /nfs/dbraw/zinc/14/99/51/1351149951.db2.gz VPXZALOZOYRLKT-UHFFFAOYSA-N -1 1 343.416 2.191 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC001605470432 1351164769 /nfs/dbraw/zinc/16/47/69/1351164769.db2.gz TVWITQOAWAGMSH-VHSXEESVSA-N -1 1 340.811 2.380 20 0 EEADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])cc(C)c1-c1nn[nH]n1 ZINC001605628300 1351204624 /nfs/dbraw/zinc/20/46/24/1351204624.db2.gz ZVKSFZVAHJKXLR-UHFFFAOYSA-N -1 1 344.762 2.490 20 0 EEADMM Cc1cc(C)c(COC(=O)c2cccc(-c3nnn[n-]3)n2)c(F)c1 ZINC001605642055 1351208292 /nfs/dbraw/zinc/20/82/92/1351208292.db2.gz WBGQLVJRMHGPNS-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1cc(C)c(COC(=O)c2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC001605642055 1351208295 /nfs/dbraw/zinc/20/82/95/1351208295.db2.gz WBGQLVJRMHGPNS-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM CCO[C@@H]1CCCC[C@H]1NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001605651232 1351210301 /nfs/dbraw/zinc/21/03/01/1351210301.db2.gz VUITTXFKWHNCJN-UKRRQHHQSA-N -1 1 345.399 2.471 20 0 EEADMM Cc1cc(F)cc2c1CN(C(=O)c1coc(-c3nnn[n-]3)c1)CC2 ZINC001605681785 1351215244 /nfs/dbraw/zinc/21/52/44/1351215244.db2.gz ARWNACAOHXRPRU-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM Cc1cc(F)cc2c1CN(C(=O)c1coc(-c3nn[n-]n3)c1)CC2 ZINC001605681785 1351215245 /nfs/dbraw/zinc/21/52/45/1351215245.db2.gz ARWNACAOHXRPRU-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC001605731610 1351219069 /nfs/dbraw/zinc/21/90/69/1351219069.db2.gz OGEDLXWMBBRKEO-LRDDRELGSA-N -1 1 348.424 2.352 20 0 EEADMM CCc1ccc([C@@H]2CNCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC001605810333 1351226317 /nfs/dbraw/zinc/22/63/17/1351226317.db2.gz XJELFKBUACALEG-KRWDZBQOSA-N -1 1 339.395 2.129 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001605842689 1351234085 /nfs/dbraw/zinc/23/40/85/1351234085.db2.gz XKPCJGYGBRTSFI-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CNc2ncncc2-c2nn[n-]n2)c(OC(C)C)c1 ZINC001605858035 1351238761 /nfs/dbraw/zinc/23/87/61/1351238761.db2.gz HTQLHQRYHQPXQA-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1ccc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(-c2nnn[n-]2)n1 ZINC001605873695 1351243094 /nfs/dbraw/zinc/24/30/94/1351243094.db2.gz GURKKVZBYYFMRP-WPRPVWTQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1ccc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001605873695 1351243097 /nfs/dbraw/zinc/24/30/97/1351243097.db2.gz GURKKVZBYYFMRP-WPRPVWTQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOc1cccc(C)c1 ZINC001605923765 1351254925 /nfs/dbraw/zinc/25/49/25/1351254925.db2.gz XTMUVQLSFRRCJZ-UHFFFAOYSA-N -1 1 328.328 2.312 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOc1cccc(C)c1 ZINC001605923765 1351254931 /nfs/dbraw/zinc/25/49/31/1351254931.db2.gz XTMUVQLSFRRCJZ-UHFFFAOYSA-N -1 1 328.328 2.312 20 0 EEADMM Cc1[nH]nc(NC(=O)c2scnc2C2CCCC2)c1-c1nn[n-]n1 ZINC001606013773 1351263744 /nfs/dbraw/zinc/26/37/44/1351263744.db2.gz IZRPOJVZDPIXNY-UHFFFAOYSA-N -1 1 344.404 2.265 20 0 EEADMM CN(CC1CCCCC1)C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001606101455 1351270844 /nfs/dbraw/zinc/27/08/44/1351270844.db2.gz VSTWHZGJRFODOE-LJQANCHMSA-N -1 1 347.459 2.400 20 0 EEADMM CNC(=O)c1cccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001606291070 1351289428 /nfs/dbraw/zinc/28/94/28/1351289428.db2.gz OEYRJXICKPHPIO-UHFFFAOYSA-N -1 1 342.395 2.142 20 0 EEADMM O=C(C=Cc1ccccc1C(F)(F)F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606486290 1351309526 /nfs/dbraw/zinc/30/95/26/1351309526.db2.gz RVZISYKWLGICPP-WAYWQWQTSA-N -1 1 349.276 2.261 20 0 EEADMM COC(=O)N1CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC001606491383 1351311276 /nfs/dbraw/zinc/31/12/76/1351311276.db2.gz FJDPJNQHTVMTRY-UHFFFAOYSA-N -1 1 332.400 2.077 20 0 EEADMM COC(=O)c1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n2c1CCCC2 ZINC001606541485 1351319675 /nfs/dbraw/zinc/31/96/75/1351319675.db2.gz ARRDBYJTXPNEBX-HNNXBMFYSA-N -1 1 346.427 2.298 20 0 EEADMM O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001606546862 1351320618 /nfs/dbraw/zinc/32/06/18/1351320618.db2.gz WYMDZZBQMUQSSC-UHFFFAOYSA-N -1 1 346.822 2.335 20 0 EEADMM O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001606546862 1351320621 /nfs/dbraw/zinc/32/06/21/1351320621.db2.gz WYMDZZBQMUQSSC-UHFFFAOYSA-N -1 1 346.822 2.335 20 0 EEADMM O=C(COc1ccc(F)nc1-c1nn[n-]n1)NC1CCCCCCC1 ZINC001606571880 1351324175 /nfs/dbraw/zinc/32/41/75/1351324175.db2.gz FHOMWJCHJZNOOA-UHFFFAOYSA-N -1 1 348.382 2.009 20 0 EEADMM COC(=O)c1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1F ZINC001606588838 1351328032 /nfs/dbraw/zinc/32/80/32/1351328032.db2.gz HFTRISMQGSDULG-UHFFFAOYSA-N -1 1 334.347 2.247 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O)c1ccsc1 ZINC001606617568 1351332658 /nfs/dbraw/zinc/33/26/58/1351332658.db2.gz VCWXZIUBCYDDGE-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C(NCC(C1CCC1)C1CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606693863 1351343431 /nfs/dbraw/zinc/34/34/31/1351343431.db2.gz ITASUFKGGPZQRE-UHFFFAOYSA-N -1 1 326.404 2.208 20 0 EEADMM O=C(NCC(C1CCC1)C1CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606693863 1351343433 /nfs/dbraw/zinc/34/34/33/1351343433.db2.gz ITASUFKGGPZQRE-UHFFFAOYSA-N -1 1 326.404 2.208 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1ccsc1-c1nnn[n-]1 ZINC001606835730 1351364503 /nfs/dbraw/zinc/36/45/03/1351364503.db2.gz MAQVATVPCKTJJX-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1ccsc1-c1nn[n-]n1 ZINC001606835730 1351364504 /nfs/dbraw/zinc/36/45/04/1351364504.db2.gz MAQVATVPCKTJJX-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1c(O)cccc1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606893999 1351371049 /nfs/dbraw/zinc/37/10/49/1351371049.db2.gz DBIORAKVKROQIE-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(Nc1ccnn1Cc1ccsc1)c1coc(-c2nnn[n-]2)c1 ZINC001606944738 1351381454 /nfs/dbraw/zinc/38/14/54/1351381454.db2.gz GBDFBGJDERFFBA-UHFFFAOYSA-N -1 1 341.356 2.018 20 0 EEADMM O=C(Nc1ccnn1Cc1ccsc1)c1coc(-c2nn[n-]n2)c1 ZINC001606944738 1351381455 /nfs/dbraw/zinc/38/14/55/1351381455.db2.gz GBDFBGJDERFFBA-UHFFFAOYSA-N -1 1 341.356 2.018 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1csc(-c2cccs2)n1 ZINC001606945571 1351381962 /nfs/dbraw/zinc/38/19/62/1351381962.db2.gz JPFWHIONXWMNCS-UHFFFAOYSA-N -1 1 344.385 2.027 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCc2sccc21 ZINC001606952726 1351383838 /nfs/dbraw/zinc/38/38/38/1351383838.db2.gz IXWFBNGNSZPKKK-QMMMGPOBSA-N -1 1 332.414 2.443 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCc2sccc21 ZINC001606952726 1351383843 /nfs/dbraw/zinc/38/38/43/1351383843.db2.gz IXWFBNGNSZPKKK-QMMMGPOBSA-N -1 1 332.414 2.443 20 0 EEADMM O=C(OC[C@H]1CCO[C@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967857 1351386785 /nfs/dbraw/zinc/38/67/85/1351386785.db2.gz QXGPIFXMEOWARN-DOMZBBRYSA-N -1 1 340.339 2.394 20 0 EEADMM COc1c(Br)cccc1CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001607007474 1351396533 /nfs/dbraw/zinc/39/65/33/1351396533.db2.gz ZRALLQGORKZIQQ-IAZYJMLFSA-N -1 1 326.190 2.220 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCC2(CCCCC2)C1 ZINC001607021832 1351399734 /nfs/dbraw/zinc/39/97/34/1351399734.db2.gz FCXUSWOFRPEGSL-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCC2(CCCCC2)C1 ZINC001607021832 1351399739 /nfs/dbraw/zinc/39/97/39/1351399739.db2.gz FCXUSWOFRPEGSL-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM O[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCCC1 ZINC001607097756 1351417228 /nfs/dbraw/zinc/41/72/28/1351417228.db2.gz RRFRBEABBLFKEF-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001607106548 1351420348 /nfs/dbraw/zinc/42/03/48/1351420348.db2.gz XGBRMLWHWFSKQN-FGWVZKOKSA-N -1 1 334.811 2.045 20 0 EEADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001607106548 1351420350 /nfs/dbraw/zinc/42/03/50/1351420350.db2.gz XGBRMLWHWFSKQN-FGWVZKOKSA-N -1 1 334.811 2.045 20 0 EEADMM c1cc(-c2nc(CNc3n[nH]cc3-c3nnn[n-]3)cs2)cs1 ZINC001607114314 1351424224 /nfs/dbraw/zinc/42/42/24/1351424224.db2.gz ZXMRCWGDGKCMNM-UHFFFAOYSA-N -1 1 330.402 2.387 20 0 EEADMM c1cc(-c2nc(CNc3n[nH]cc3-c3nn[n-]n3)cs2)cs1 ZINC001607114314 1351424225 /nfs/dbraw/zinc/42/42/25/1351424225.db2.gz ZXMRCWGDGKCMNM-UHFFFAOYSA-N -1 1 330.402 2.387 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001607134993 1351434433 /nfs/dbraw/zinc/43/44/33/1351434433.db2.gz VVQLGSRVBGPJDY-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM c1cc(-c2nc(-c3ccc4nccnc4c3)no2)oc1-c1nn[n-]n1 ZINC001607135592 1351434972 /nfs/dbraw/zinc/43/49/72/1351434972.db2.gz ADAUQAWPYCGYAZ-UHFFFAOYSA-N -1 1 332.283 2.120 20 0 EEADMM c1cnc2c(c1)CC[C@H](Nc1n[nH]c(C3CC3)c1-c1nnn[n-]1)CC2 ZINC001607136086 1351435433 /nfs/dbraw/zinc/43/54/33/1351435433.db2.gz MVODAUNEHWJHPK-LBPRGKRZSA-N -1 1 336.403 2.222 20 0 EEADMM c1cnc2c(c1)CC[C@H](Nc1n[nH]c(C3CC3)c1-c1nn[n-]n1)CC2 ZINC001607136086 1351435436 /nfs/dbraw/zinc/43/54/36/1351435436.db2.gz MVODAUNEHWJHPK-LBPRGKRZSA-N -1 1 336.403 2.222 20 0 EEADMM c1ncc(-c2nnn[n-]2)nc1NCCCc1nc2c(s1)CCCC2 ZINC001607139034 1351436837 /nfs/dbraw/zinc/43/68/37/1351436837.db2.gz TXJWHDCEDVXCDQ-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM c1ncc(-c2nn[n-]n2)nc1NCCCc1nc2c(s1)CCCC2 ZINC001607139034 1351436842 /nfs/dbraw/zinc/43/68/42/1351436842.db2.gz TXJWHDCEDVXCDQ-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM COc1cc(S(=O)(=O)Nc2cc(F)ccc2O)ccc1C(=O)[O-] ZINC001607189464 1351446078 /nfs/dbraw/zinc/44/60/78/1351446078.db2.gz BKOUBGSGQDWLPD-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM COc1ccc([C@@H](NCc2cnc3c(C)cccn23)C(=O)[O-])cc1O ZINC001607233835 1351455546 /nfs/dbraw/zinc/45/55/46/1351455546.db2.gz CVFYBEIMEVXJSC-MRXNPFEDSA-N -1 1 341.367 2.272 20 0 EEADMM COc1ccc(C)nc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001607236315 1351455987 /nfs/dbraw/zinc/45/59/87/1351455987.db2.gz BVSIESMWSZSJPX-UHFFFAOYSA-N -1 1 336.369 2.039 20 0 EEADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1O ZINC001607258683 1351460109 /nfs/dbraw/zinc/46/01/09/1351460109.db2.gz GZEMSWVTKYPYED-MRXNPFEDSA-N -1 1 333.340 2.031 20 0 EEADMM COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001607334633 1351476998 /nfs/dbraw/zinc/47/69/98/1351476998.db2.gz ZLWJBPBJVPWLRG-SFHVURJKSA-N -1 1 344.342 2.271 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C[C@@H](C(=O)[O-])O1 ZINC001607434832 1351493966 /nfs/dbraw/zinc/49/39/66/1351493966.db2.gz RWQFAYAYZABZIS-OTYXRUKQSA-N -1 1 349.774 2.044 20 0 EEADMM Cc1cc([C@@H](C)N2CCC(O)(c3nccn3C)CC2)oc1C(=O)[O-] ZINC001607608471 1351524344 /nfs/dbraw/zinc/52/43/44/1351524344.db2.gz NUCIDGNAQPOSAK-GFCCVEGCSA-N -1 1 333.388 2.064 20 0 EEADMM Cc1cc(CN)oc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001607640714 1351531397 /nfs/dbraw/zinc/53/13/97/1351531397.db2.gz UUAMCBYDWAUBRN-CQSZACIVSA-N -1 1 330.384 2.253 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c2c1CCC2 ZINC001607729410 1351547726 /nfs/dbraw/zinc/54/77/26/1351547726.db2.gz UBSDLEXZEDUTIQ-CQSZACIVSA-N -1 1 330.428 2.105 20 0 EEADMM Cc1ccc([C@@H](CNC(=S)NCCCC(=O)[O-])N2CCCC2)o1 ZINC001607756924 1351553110 /nfs/dbraw/zinc/55/31/10/1351553110.db2.gz PWWTYVOPRYMILV-CYBMUJFWSA-N -1 1 339.461 2.054 20 0 EEADMM Cc1cccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1C(F)(F)F ZINC001607839773 1351569007 /nfs/dbraw/zinc/56/90/07/1351569007.db2.gz XMHCQQQXRDKBBN-LLVKDONJSA-N -1 1 341.289 2.163 20 0 EEADMM Cc1cccc(CN2CCO[C@@H](CNCc3cc(C(=O)[O-])co3)C2)c1 ZINC001607850509 1351571175 /nfs/dbraw/zinc/57/11/75/1351571175.db2.gz IRQJTTNXOJXNKT-SFHVURJKSA-N -1 1 344.411 2.277 20 0 EEADMM Cc1nc(-c2ccc([C@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])cc2)cs1 ZINC001607940518 1351589773 /nfs/dbraw/zinc/58/97/73/1351589773.db2.gz DBMCKVWQBPXVIC-QWRGUYRKSA-N -1 1 347.440 2.358 20 0 EEADMM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1 ZINC000036662348 1352393045 /nfs/dbraw/zinc/39/30/45/1352393045.db2.gz LTQMOOJKLSYWAC-UHFFFAOYSA-N -1 1 327.365 2.135 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC001623807126 1352405798 /nfs/dbraw/zinc/40/57/98/1352405798.db2.gz SQIPDZMKCUTMGK-UHFFFAOYSA-N -1 1 347.382 2.476 20 0 EEADMM CSc1nc(CNc2cc(C(C)C)nc3ncnn32)cc(=O)[n-]1 ZINC001640090615 1352706040 /nfs/dbraw/zinc/70/60/40/1352706040.db2.gz MGEJZKRSZHVNNL-UHFFFAOYSA-N -1 1 331.405 2.077 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1c[nH]nc1-c1ccccc1 ZINC001642558219 1352733781 /nfs/dbraw/zinc/73/37/81/1352733781.db2.gz PHKAHRYEDKERSY-INIZCTEOSA-N -1 1 345.366 2.109 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)OC3CCCCC3)nc2n1 ZINC001646019338 1352813708 /nfs/dbraw/zinc/81/37/08/1352813708.db2.gz MSDFKXWNVASVPT-LLVKDONJSA-N -1 1 347.419 2.046 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)[nH]c2c1 ZINC001646722496 1352945753 /nfs/dbraw/zinc/94/57/53/1352945753.db2.gz NOEBZMIFAKHNFS-VXGBXAGGSA-N -1 1 330.388 2.266 20 0 EEADMM O=C(CCSc1cccc(Cl)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001646984603 1353090360 /nfs/dbraw/zinc/09/03/60/1353090360.db2.gz OUTSLGYAEYHJTM-SNVBAGLBSA-N -1 1 337.836 2.351 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC001647084472 1353132605 /nfs/dbraw/zinc/13/26/05/1353132605.db2.gz CHXFXTWGRQCIGV-LBPRGKRZSA-N -1 1 335.784 2.099 20 0 EEADMM O=C(C[C@H]1CSCCS1)OCC(=O)c1ccc([O-])cc1O ZINC001647120569 1353151060 /nfs/dbraw/zinc/15/10/60/1353151060.db2.gz HTTNIFGFYCDOGA-JTQLQIEISA-N -1 1 328.411 2.062 20 0 EEADMM CC(C)Cc1nc(C(=O)[N-]NC(=O)c2n[nH]c3c2CCCC3)cs1 ZINC000063637327 1353431246 /nfs/dbraw/zinc/43/12/46/1353431246.db2.gz TZXFELXBEFBGFI-UHFFFAOYSA-N -1 1 347.444 2.018 20 0 EEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4ocnc4c3)ccc2N1 ZINC000074838056 1354368427 /nfs/dbraw/zinc/36/84/27/1354368427.db2.gz VPVGBECLIHUAFA-UHFFFAOYSA-N -1 1 329.337 2.123 20 0 EEADMM O=S(=O)([N-]Cc1cn2ccccc2n1)c1ccc(C(F)F)o1 ZINC001660347460 1354445449 /nfs/dbraw/zinc/44/54/49/1354445449.db2.gz MJALBRGLXWLBIZ-UHFFFAOYSA-N -1 1 327.312 2.343 20 0 EEADMM O=S(=O)([N-]CCn1cnnc1)c1sc2ccccc2c1Cl ZINC001662100014 1354750062 /nfs/dbraw/zinc/75/00/62/1354750062.db2.gz JELRASJFMMHOCN-UHFFFAOYSA-N -1 1 342.833 2.125 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001388739592 1387688578 /nfs/dbraw/zinc/68/85/78/1387688578.db2.gz OCAWIHDHSPCRKJ-KBPBESRZSA-N -1 1 333.432 2.286 20 0 EEADMM COC(=O)c1ccc(NC(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1 ZINC001187760024 1368266510 /nfs/dbraw/zinc/26/65/10/1368266510.db2.gz KIYARVMIFINIKY-UHFFFAOYSA-N -1 1 349.328 2.299 20 0 EEADMM COc1cc(CNC(=O)c2cc([O-])cnc2Cl)cc(OC)c1O ZINC001195314515 1368518451 /nfs/dbraw/zinc/51/84/51/1368518451.db2.gz GSOWKYRZLPNLSP-UHFFFAOYSA-N -1 1 338.747 2.093 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1ccc(N(CC)CCO)cc1C ZINC001195486947 1368540767 /nfs/dbraw/zinc/54/07/67/1368540767.db2.gz OJHOILYKGMYRQK-UHFFFAOYSA-N -1 1 325.434 2.257 20 0 EEADMM CC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195495223 1368545490 /nfs/dbraw/zinc/54/54/90/1368545490.db2.gz VIRNOVUOPKLHQN-UHFFFAOYSA-N -1 1 338.198 2.234 20 0 EEADMM CCOC(=O)c1ccncc1S(=O)(=O)Nc1ccc([S-])cc1 ZINC001195637787 1368561351 /nfs/dbraw/zinc/56/13/51/1368561351.db2.gz JCQNKSBKOTURMV-UHFFFAOYSA-N -1 1 338.410 2.348 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867125376 1368570857 /nfs/dbraw/zinc/57/08/57/1368570857.db2.gz XDAWKGYOBNUMHP-QWRGUYRKSA-N -1 1 334.388 2.232 20 0 EEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1cccc2cnncc21 ZINC001198778688 1368645026 /nfs/dbraw/zinc/64/50/26/1368645026.db2.gz KRWHAQWHAPGMTO-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM Cc1coc(C[N-]S(=O)(=O)c2cccc(F)c2Br)n1 ZINC001201770292 1368843166 /nfs/dbraw/zinc/84/31/66/1368843166.db2.gz HCEWVRHHFIHTTO-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM CCCCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001488712525 1369051589 /nfs/dbraw/zinc/05/15/89/1369051589.db2.gz GOCLDQGTBSNHFC-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCOC(C2CC2)(C2CC2)C1 ZINC000856078889 1369406513 /nfs/dbraw/zinc/40/65/13/1369406513.db2.gz JZLSYOBOHZVOAX-UHFFFAOYSA-N -1 1 344.440 2.049 20 0 EEADMM CC1(C)C[C@H](C(=O)N2CCC[C@H]2c2nn[n-]n2)c2ccccc2O1 ZINC000900390135 1369923109 /nfs/dbraw/zinc/92/31/09/1369923109.db2.gz LGCDIVRJYNQEOQ-STQMWFEESA-N -1 1 327.388 2.208 20 0 EEADMM CC(C)=C(F)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001073879580 1370922777 /nfs/dbraw/zinc/92/27/77/1370922777.db2.gz STWROGDUMVQNOZ-RYUDHWBXSA-N -1 1 335.379 2.017 20 0 EEADMM Cc1ccc(N2CCNC2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000782493019 1371302936 /nfs/dbraw/zinc/30/29/36/1371302936.db2.gz XKFHSDPJEVRQHI-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(N)=O)CC2 ZINC000782534319 1371308505 /nfs/dbraw/zinc/30/85/05/1371308505.db2.gz QKZBWHKPMQPICC-UHFFFAOYSA-N -1 1 331.397 2.237 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N(C)c1ccc(C(C)C)cc1 ZINC001121683614 1371914287 /nfs/dbraw/zinc/91/42/87/1371914287.db2.gz PNXWSTJMFMXMRT-UHFFFAOYSA-N -1 1 326.408 2.293 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N(C)c1ccc(C(C)C)cc1 ZINC001121683614 1371914291 /nfs/dbraw/zinc/91/42/91/1371914291.db2.gz PNXWSTJMFMXMRT-UHFFFAOYSA-N -1 1 326.408 2.293 20 0 EEADMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C2CC2)s1 ZINC000830697077 1372342831 /nfs/dbraw/zinc/34/28/31/1372342831.db2.gz MIIYHBAJFUYJLB-SECBINFHSA-N -1 1 332.838 2.258 20 0 EEADMM Cc1[nH]c(CN2CCC(Oc3ncccn3)CC2)c(C)c1C(=O)[O-] ZINC001140496041 1372586263 /nfs/dbraw/zinc/58/62/63/1372586263.db2.gz PNPVMHBALSLIOT-UHFFFAOYSA-N -1 1 330.388 2.163 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CCc3ccc(=O)n(CC4CC4)c3CC2)o1 ZINC001140946088 1372722225 /nfs/dbraw/zinc/72/22/25/1372722225.db2.gz RCMQLTVDKRJUDR-UHFFFAOYSA-N -1 1 342.395 2.150 20 0 EEADMM O=C(NCc1cnn(-c2ccccc2)c1)c1cnc(C2CC2)[n-]c1=O ZINC001141281918 1372782670 /nfs/dbraw/zinc/78/26/70/1372782670.db2.gz FEVCRAWDQHCBHB-UHFFFAOYSA-N -1 1 335.367 2.175 20 0 EEADMM CC(C)[C@@H](OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)C(N)=O ZINC000838084295 1372821170 /nfs/dbraw/zinc/82/11/70/1372821170.db2.gz DCMLANABPONWCJ-OAHLLOKOSA-N -1 1 344.367 2.038 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2F)c1F ZINC001200815328 1373121802 /nfs/dbraw/zinc/12/18/02/1373121802.db2.gz HDZFHEPMKFCUMK-UHFFFAOYSA-N -1 1 326.324 2.173 20 0 EEADMM CC[C@H](SC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340857 1373136832 /nfs/dbraw/zinc/13/68/32/1373136832.db2.gz HCSXPKOWAZJEKA-BBBLOLIVSA-N -1 1 326.384 2.186 20 0 EEADMM CC(=O)Nc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1F ZINC001361496299 1373302970 /nfs/dbraw/zinc/30/29/70/1373302970.db2.gz WMDJTBBOYVWAIW-UHFFFAOYSA-N -1 1 344.346 2.411 20 0 EEADMM CNS(=O)(=O)c1cc(NC(=O)c2cccc([O-])c2F)ccc1C ZINC001361597221 1373313682 /nfs/dbraw/zinc/31/36/82/1373313682.db2.gz SVWVBYYVMXJLLV-UHFFFAOYSA-N -1 1 338.360 2.000 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c(=O)[n-]1 ZINC001362292717 1373389677 /nfs/dbraw/zinc/38/96/77/1373389677.db2.gz OMLNFOVDSVKMQN-UHFFFAOYSA-N -1 1 330.369 2.041 20 0 EEADMM CCOC(=O)[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(O)c1 ZINC001362454085 1373413721 /nfs/dbraw/zinc/41/37/21/1373413721.db2.gz VWSHJWUPWNZDOQ-OAHLLOKOSA-N -1 1 333.315 2.271 20 0 EEADMM Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2ccc(F)c([O-])c2)c1 ZINC001362699232 1373452013 /nfs/dbraw/zinc/45/20/13/1373452013.db2.gz JAXHQAGLQQGIIB-MRXNPFEDSA-N -1 1 328.343 2.153 20 0 EEADMM O=C(CC1CCCCC1)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001389790292 1388301633 /nfs/dbraw/zinc/30/16/33/1388301633.db2.gz YWNMUNISOYYKGO-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])c(C)[nH]1 ZINC001371268091 1375338708 /nfs/dbraw/zinc/33/87/08/1375338708.db2.gz CNLDFXBGQDUVEM-WDEREUQCSA-N -1 1 344.415 2.059 20 0 EEADMM Cc1sccc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001371286894 1375358931 /nfs/dbraw/zinc/35/89/31/1375358931.db2.gz YGGPJLNQYBELCN-MNOVXSKESA-N -1 1 347.440 2.484 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001371777655 1375630836 /nfs/dbraw/zinc/63/08/36/1375630836.db2.gz IQUGHTUKABUQMF-CABCVRRESA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)CCCF ZINC001372210638 1375858403 /nfs/dbraw/zinc/85/84/03/1375858403.db2.gz LDQWHXLEFUWNOQ-CHWSQXEVSA-N -1 1 337.395 2.036 20 0 EEADMM CCCN(C(=O)CC1CC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001372324408 1375936819 /nfs/dbraw/zinc/93/68/19/1375936819.db2.gz WQZDXLDEAWEMBF-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)C2(C)CC2)CC1 ZINC001372330441 1375941364 /nfs/dbraw/zinc/94/13/64/1375941364.db2.gz DKUORNSWFWANAU-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCCN(C/C=C\Cl)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001372743698 1376178206 /nfs/dbraw/zinc/17/82/06/1376178206.db2.gz WPPXPQYLONEOTK-UTCJRWHESA-N -1 1 338.795 2.123 20 0 EEADMM CCc1sc(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])cc1C ZINC001372839865 1376237719 /nfs/dbraw/zinc/23/77/19/1376237719.db2.gz ZJLFDGHXSKRACQ-NSHDSACASA-N -1 1 347.440 2.268 20 0 EEADMM CC(C)c1ccccc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001372924912 1376298114 /nfs/dbraw/zinc/29/81/14/1376298114.db2.gz UHDJKYNNAYRAFQ-CYBMUJFWSA-N -1 1 341.411 2.459 20 0 EEADMM Cc1cc(Cl)cc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001372976038 1376332643 /nfs/dbraw/zinc/33/26/43/1376332643.db2.gz REBFZUQUSXVJTE-NSHDSACASA-N -1 1 347.802 2.297 20 0 EEADMM Cc1cc(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)oc1C ZINC001374221967 1376626248 /nfs/dbraw/zinc/62/62/48/1376626248.db2.gz ONAYKQOEADZMIQ-UHFFFAOYSA-N -1 1 343.383 2.032 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1sc(C)cc1C ZINC001375061046 1377329530 /nfs/dbraw/zinc/32/95/30/1377329530.db2.gz SKQRMCUMWYYBAH-GFCCVEGCSA-N -1 1 347.440 2.404 20 0 EEADMM CC(C)c1[nH]ccc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376257017 1378398940 /nfs/dbraw/zinc/39/89/40/1378398940.db2.gz DAYWNPHBOUFUPZ-UHFFFAOYSA-N -1 1 344.415 2.083 20 0 EEADMM CC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C2CCCC2)CCC1 ZINC001379562794 1380759673 /nfs/dbraw/zinc/75/96/73/1380759673.db2.gz SNSRACKMSFBUNV-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CC12CCC2 ZINC001380560148 1381289716 /nfs/dbraw/zinc/28/97/16/1381289716.db2.gz RQOVVMGZNBJZMB-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)c1noc([C@H](C)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])n1 ZINC001394059397 1390598926 /nfs/dbraw/zinc/59/89/26/1390598926.db2.gz BLVLVXFPNRRQTE-RYUDHWBXSA-N -1 1 347.419 2.105 20 0 EEADMM C[C@]1(CNC(=O)C2CCCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001394401956 1390686420 /nfs/dbraw/zinc/68/64/20/1390686420.db2.gz SNWYFLGHWISWFG-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCC2)[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001396561866 1390956342 /nfs/dbraw/zinc/95/63/42/1390956342.db2.gz CADYCRKERBTGJN-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](C)CC(=O)N[C@H](C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397785062 1391478415 /nfs/dbraw/zinc/47/84/15/1391478415.db2.gz DKYRAQZKRWSHBD-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM CCC(C)(C)CC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001398175526 1391772128 /nfs/dbraw/zinc/77/21/28/1391772128.db2.gz SGAOXXYXIYKXEG-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)NCc1n[nH]c(=O)[n-]1 ZINC001400929602 1396737642 /nfs/dbraw/zinc/73/76/42/1396737642.db2.gz MKZVQWXEUADMBX-CQSZACIVSA-N -1 1 345.447 2.106 20 0 EEADMM C[C@H](CN(C)C(=O)CC1CCC(C)(C)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001425720982 1401758858 /nfs/dbraw/zinc/75/88/58/1401758858.db2.gz ZEJVIFIZPXLKJJ-GFCCVEGCSA-N -1 1 337.468 2.053 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc2c(c1)C[C@H](C)O2)c1nn[n-]n1 ZINC001426320274 1402039980 /nfs/dbraw/zinc/03/99/80/1402039980.db2.gz OSBPXPRZGNGMRY-CABZTGNLSA-N -1 1 348.432 2.139 20 0 EEADMM CC(C)[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC001573983305 1403518346 /nfs/dbraw/zinc/51/83/46/1403518346.db2.gz YXNVOWMJAVPYKO-AWEZNQCLSA-N -1 1 342.428 2.379 20 0 EEADMM CCCCC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001577418012 1403648562 /nfs/dbraw/zinc/64/85/62/1403648562.db2.gz ZGOHKSTVIOTZET-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CCOc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)nc1C ZINC001578398084 1403746293 /nfs/dbraw/zinc/74/62/93/1403746293.db2.gz MMZZFMKHYHIXFP-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM CCOc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)nc1C ZINC001578398084 1403746300 /nfs/dbraw/zinc/74/63/00/1403746300.db2.gz MMZZFMKHYHIXFP-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COc1cc(C)c(C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579916381 1403797392 /nfs/dbraw/zinc/79/73/92/1403797392.db2.gz ITKJKLVNAIJRHU-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1cc(C)c(C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579916381 1403797397 /nfs/dbraw/zinc/79/73/97/1403797397.db2.gz ITKJKLVNAIJRHU-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001580040897 1403811438 /nfs/dbraw/zinc/81/14/38/1403811438.db2.gz VUCFBVHDYLXERT-UHFFFAOYSA-N -1 1 330.373 2.259 20 0 EEADMM COc1cccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580062205 1403820210 /nfs/dbraw/zinc/82/02/10/1403820210.db2.gz WSSWSCGCHHKXQC-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1cccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580062205 1403820215 /nfs/dbraw/zinc/82/02/15/1403820215.db2.gz WSSWSCGCHHKXQC-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1ncc(NC(=O)c2c(F)cc(C)cc2F)cc1-c1nn[n-]n1 ZINC001580138621 1403832776 /nfs/dbraw/zinc/83/27/76/1403832776.db2.gz LJWLPOWTPRQLCQ-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM CS[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001580174079 1403842147 /nfs/dbraw/zinc/84/21/47/1403842147.db2.gz AZRKIEKUXXHRHV-ZDUSSCGKSA-N -1 1 326.385 2.305 20 0 EEADMM CS[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001580174079 1403842157 /nfs/dbraw/zinc/84/21/57/1403842157.db2.gz AZRKIEKUXXHRHV-ZDUSSCGKSA-N -1 1 326.385 2.305 20 0 EEADMM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)n1 ZINC001581207452 1403877430 /nfs/dbraw/zinc/87/74/30/1403877430.db2.gz OEDJUPLLCUZDHN-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM CCC[C@H](C)NC(=O)[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001590549712 1403885453 /nfs/dbraw/zinc/88/54/53/1403885453.db2.gz FAUXNLKRDCGGIJ-DTWKUNHWSA-N -1 1 340.478 2.250 20 0 EEADMM CCC[C@H](C)NC(=O)[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001590549712 1403885457 /nfs/dbraw/zinc/88/54/57/1403885457.db2.gz FAUXNLKRDCGGIJ-DTWKUNHWSA-N -1 1 340.478 2.250 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)s1 ZINC001591946216 1403973584 /nfs/dbraw/zinc/97/35/84/1403973584.db2.gz FJOXCDBYUKUNCQ-UHFFFAOYSA-N -1 1 334.430 2.491 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)s1 ZINC001591946216 1403973589 /nfs/dbraw/zinc/97/35/89/1403973589.db2.gz FJOXCDBYUKUNCQ-UHFFFAOYSA-N -1 1 334.430 2.491 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c3cccnc23)nn1C ZINC001592133019 1404004083 /nfs/dbraw/zinc/00/40/83/1404004083.db2.gz TWGFXAVDNHFOSI-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c3cccnc23)nn1C ZINC001592133019 1404004091 /nfs/dbraw/zinc/00/40/91/1404004091.db2.gz TWGFXAVDNHFOSI-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nsc(NC(=O)c2c(F)cc(F)cc2F)c1-c1nn[n-]n1 ZINC001592482189 1404701410 /nfs/dbraw/zinc/70/14/10/1404701410.db2.gz XCQHQUCFTJLVDM-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC001592498791 1404704195 /nfs/dbraw/zinc/70/41/95/1404704195.db2.gz FJFWPDOWWBVFNA-UHFFFAOYSA-N -1 1 345.403 2.237 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC001592498791 1404704198 /nfs/dbraw/zinc/70/41/98/1404704198.db2.gz FJFWPDOWWBVFNA-UHFFFAOYSA-N -1 1 345.403 2.237 20 0 EEADMM O=C(CCc1cncc2ccccc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592855825 1404725780 /nfs/dbraw/zinc/72/57/80/1404725780.db2.gz WJERNRPRMWRAFG-UHFFFAOYSA-N -1 1 345.366 2.381 20 0 EEADMM O=C(CCc1cncc2ccccc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592855825 1404725784 /nfs/dbraw/zinc/72/57/84/1404725784.db2.gz WJERNRPRMWRAFG-UHFFFAOYSA-N -1 1 345.366 2.381 20 0 EEADMM O=C(NCCc1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593105643 1404744059 /nfs/dbraw/zinc/74/40/59/1404744059.db2.gz IJXHNTLUPZNAPB-UHFFFAOYSA-N -1 1 329.310 2.117 20 0 EEADMM O=C(NCCc1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593105643 1404744061 /nfs/dbraw/zinc/74/40/61/1404744061.db2.gz IJXHNTLUPZNAPB-UHFFFAOYSA-N -1 1 329.310 2.117 20 0 EEADMM CCOC(=O)C[C@@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000165050689 1405713446 /nfs/dbraw/zinc/71/34/46/1405713446.db2.gz CJZHBPLDBLJIQQ-LBPRGKRZSA-N -1 1 347.444 2.378 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001756329546 1408336687 /nfs/dbraw/zinc/33/66/87/1408336687.db2.gz SXZGDKQPOHZVFG-BFHYXJOUSA-N -1 1 347.459 2.484 20 0 EEADMM CN(C[C@H]1CCC[C@H]1O)C(=O)c1cc(Br)ccc1[O-] ZINC000689235361 1410397325 /nfs/dbraw/zinc/39/73/25/1410397325.db2.gz YRNKRLHQLXXZNT-BXKDBHETSA-N -1 1 328.206 2.388 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)c(N)c(F)c2)c1 ZINC001210912144 758190661 /nfs/dbraw/zinc/19/06/61/758190661.db2.gz HZHRAEQEVKCAJT-UHFFFAOYSA-N -1 1 343.311 2.263 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])Nc1cncc(Cl)n1 ZINC001105175150 769248086 /nfs/dbraw/zinc/24/80/86/769248086.db2.gz WRQVKWDBJKSXEY-JTQLQIEISA-N -1 1 335.795 2.097 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1c(F)cccc1F)c1ncccc1[O-] ZINC001027844304 773433717 /nfs/dbraw/zinc/43/37/17/773433717.db2.gz PVXNUDUWZWGEML-LBPRGKRZSA-N -1 1 347.365 2.460 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000938771320 774608045 /nfs/dbraw/zinc/60/80/45/774608045.db2.gz POAXGEVDIJMSRK-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1)c1ncccc1[O-] ZINC000940130564 778138408 /nfs/dbraw/zinc/13/84/08/778138408.db2.gz RMNGTCDNVBWJNI-LSDHHAIUSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCN(C/C=C\Cl)CC2(C)C)c1[O-] ZINC000940664730 779084048 /nfs/dbraw/zinc/08/40/48/779084048.db2.gz NBSAXOHXLGIYST-QZPNVGJNSA-N -1 1 326.828 2.007 20 0 EEADMM O=C(CCC1CCCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982393783 779982745 /nfs/dbraw/zinc/98/27/45/779982745.db2.gz SYABCVLXOPNKJZ-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000070961332 780366098 /nfs/dbraw/zinc/36/60/98/780366098.db2.gz LQQVOXUTBSPDEW-HNNXBMFYSA-N -1 1 327.352 2.151 20 0 EEADMM CCn1c(CCNC(=O)c2cc(=O)c3ccccc3o2)n[n-]c1=S ZINC000067077243 780532828 /nfs/dbraw/zinc/53/28/28/780532828.db2.gz WWZVBCYWOCOLAH-UHFFFAOYSA-N -1 1 344.396 2.039 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936966741 780617746 /nfs/dbraw/zinc/61/77/46/780617746.db2.gz DDSBCXYMEXCRNP-IHRRRGAJSA-N -1 1 343.427 2.039 20 0 EEADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])C1CCC1 ZINC000997710160 790847560 /nfs/dbraw/zinc/84/75/60/790847560.db2.gz RDKBYKCZTFSONQ-ATGSNQNLSA-N -1 1 343.427 2.085 20 0 EEADMM C[C@@H](Oc1[n-]c(=O)ncc1I)c1ccncc1 ZINC001226771243 781801070 /nfs/dbraw/zinc/80/10/70/781801070.db2.gz SYQCNFDTFBGDPO-SSDOTTSWSA-N -1 1 343.124 2.322 20 0 EEADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)NC(=O)OC(C)(C)C ZINC000809801173 783376478 /nfs/dbraw/zinc/37/64/78/783376478.db2.gz OGVVYBLRHMCRFA-QMMMGPOBSA-N -1 1 330.331 2.313 20 0 EEADMM CCCC(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995290966 783384496 /nfs/dbraw/zinc/38/44/96/783384496.db2.gz ZIQONEVUQLWJHY-RDTXWAMCSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1CCCCC1 ZINC000945290061 783769849 /nfs/dbraw/zinc/76/98/49/783769849.db2.gz RAAJXJKJFWLPLG-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907366182 784566091 /nfs/dbraw/zinc/56/60/91/784566091.db2.gz FQJBJLXIOAKCBE-UHFFFAOYSA-N -1 1 335.404 2.254 20 0 EEADMM COc1ccc([C@@H](C)CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907477910 784646914 /nfs/dbraw/zinc/64/69/14/784646914.db2.gz VUBQDPSGCLOJJU-FZMZJTMJSA-N -1 1 347.444 2.019 20 0 EEADMM O=C([C@H](F)CC1CCCCC1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478297 784647568 /nfs/dbraw/zinc/64/75/68/784647568.db2.gz ILGADOAEQXVMPB-VXGBXAGGSA-N -1 1 327.429 2.125 20 0 EEADMM Cc1cc(C)cc([C@H](O)CNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000908046836 785046886 /nfs/dbraw/zinc/04/68/86/785046886.db2.gz WEJONENWKHYKNA-OAHLLOKOSA-N -1 1 327.384 2.140 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1Cc2cnn(-c3ccccc3)c2C1 ZINC000908458430 785448422 /nfs/dbraw/zinc/44/84/22/785448422.db2.gz VQWRQHLKUSNHSF-UHFFFAOYSA-N -1 1 347.378 2.401 20 0 EEADMM CC(C)OC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000908488663 785471775 /nfs/dbraw/zinc/47/17/75/785471775.db2.gz HTFJTSSYWGBMHP-UHFFFAOYSA-N -1 1 339.335 2.112 20 0 EEADMM O=C(C[N-]C(=O)C(F)(F)C1(O)CCCC1)c1c(F)cccc1F ZINC000819578016 785592725 /nfs/dbraw/zinc/59/27/25/785592725.db2.gz YCUHSTCPNUSLRB-UHFFFAOYSA-N -1 1 333.281 2.204 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCN1CCc2ccccc2C1 ZINC000908719770 785648841 /nfs/dbraw/zinc/64/88/41/785648841.db2.gz CRXGJZOVLQGIFI-DLBZAZTESA-N -1 1 330.428 2.052 20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000908700401 785654877 /nfs/dbraw/zinc/65/48/77/785654877.db2.gz UXXBCEZTYLUWLK-OCCSQVGLSA-N -1 1 334.441 2.136 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H]2CCSc3ccccc32)C1 ZINC000908700401 785654882 /nfs/dbraw/zinc/65/48/82/785654882.db2.gz UXXBCEZTYLUWLK-OCCSQVGLSA-N -1 1 334.441 2.136 20 0 EEADMM O=C(C[C@H]1CCCC(=O)N1)Nc1cccc([O-])c1Br ZINC000908708352 785661344 /nfs/dbraw/zinc/66/13/44/785661344.db2.gz UQABPHVOAMEDQZ-MRVPVSSYSA-N -1 1 327.178 2.152 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908738963 785678773 /nfs/dbraw/zinc/67/87/73/785678773.db2.gz LYRGNSKFQKNKTN-OCCSQVGLSA-N -1 1 338.835 2.184 20 0 EEADMM COc1cccc([C@H](CC(=O)[O-])NC(=O)CN2CCC(C)CC2)c1 ZINC000908857781 785797924 /nfs/dbraw/zinc/79/79/24/785797924.db2.gz UOGUPAGLDVFVOI-INIZCTEOSA-N -1 1 334.416 2.059 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000908913497 785831439 /nfs/dbraw/zinc/83/14/39/785831439.db2.gz PQBMKNGIHOUIAO-LSDHHAIUSA-N -1 1 347.459 2.328 20 0 EEADMM O=C(NC/C=C\CNc1ncnc2ccsc21)c1ncccc1[O-] ZINC001107138941 785966915 /nfs/dbraw/zinc/96/69/15/785966915.db2.gz DIWHNOGNEYIPIF-UPHRSURJSA-N -1 1 341.396 2.190 20 0 EEADMM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000909700350 786179964 /nfs/dbraw/zinc/17/99/64/786179964.db2.gz XLFRLKWPBIJUDE-IBGZPJMESA-N -1 1 332.444 2.120 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000909931758 786344889 /nfs/dbraw/zinc/34/48/89/786344889.db2.gz NEWMCSNZXSXTFZ-LSDHHAIUSA-N -1 1 331.416 2.073 20 0 EEADMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)N=S(C)(C)=O)c2C1 ZINC000820802236 786462239 /nfs/dbraw/zinc/46/22/39/786462239.db2.gz JFMRVMRFNNBUKN-UHFFFAOYSA-N -1 1 345.490 2.043 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000910255532 786585957 /nfs/dbraw/zinc/58/59/57/786585957.db2.gz QUESGEXUUUOWTL-GVDBMIGSSA-N -1 1 330.428 2.236 20 0 EEADMM CCC(CC)[C@@H](CNc1ncc(C(=O)[O-])c(C)n1)N1CCOCC1 ZINC000910340372 786670130 /nfs/dbraw/zinc/67/01/30/786670130.db2.gz TVPAGAAGWVFJFC-OAHLLOKOSA-N -1 1 336.436 2.032 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2ccn(C(C)C)n2)c1 ZINC000821321601 786679315 /nfs/dbraw/zinc/67/93/15/786679315.db2.gz CMROTBXXMNISLX-HSZRJFAPSA-N -1 1 336.413 2.324 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)o1 ZINC000910416837 786745264 /nfs/dbraw/zinc/74/52/64/786745264.db2.gz YLTBRBNXKDGGEX-UGSOOPFHSA-N -1 1 334.416 2.448 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000910420244 786750731 /nfs/dbraw/zinc/75/07/31/786750731.db2.gz WULRFKIHUACORF-UKRRQHHQSA-N -1 1 325.368 2.008 20 0 EEADMM CN(C)[C@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000911099587 787242441 /nfs/dbraw/zinc/24/24/41/787242441.db2.gz GLQMHOCKDPDBIL-CQSZACIVSA-N -1 1 332.425 2.408 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000911105340 787246218 /nfs/dbraw/zinc/24/62/18/787246218.db2.gz UVSHBKHOHNQFIY-ZDUSSCGKSA-N -1 1 334.347 2.458 20 0 EEADMM CN1CCN(Cc2cccc(NC(=O)C(C)(C)CCC(=O)[O-])c2)CC1 ZINC000911261170 787353857 /nfs/dbraw/zinc/35/38/57/787353857.db2.gz BJLIEDFKYHGPID-UHFFFAOYSA-N -1 1 347.459 2.264 20 0 EEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)C2CC2)C1 ZINC000911756456 787713103 /nfs/dbraw/zinc/71/31/03/787713103.db2.gz HMDNVVBTDWQQFX-DLBZAZTESA-N -1 1 330.428 2.093 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)C2CC2)C1 ZINC000911756456 787713109 /nfs/dbraw/zinc/71/31/09/787713109.db2.gz HMDNVVBTDWQQFX-DLBZAZTESA-N -1 1 330.428 2.093 20 0 EEADMM O=C1OC(c2ccsc2)=NC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823551675 787817181 /nfs/dbraw/zinc/81/71/81/787817181.db2.gz YYUMOAGFXCMYHV-UITAMQMPSA-N -1 1 329.366 2.334 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCc2cccc3ccccc32)C1 ZINC000823637205 787845358 /nfs/dbraw/zinc/84/53/58/787845358.db2.gz ITUBPJGTVRUNAD-KRWDZBQOSA-N -1 1 340.423 2.295 20 0 EEADMM Cc1ccccc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062425804 788043697 /nfs/dbraw/zinc/04/36/97/788043697.db2.gz VSIWWJSXRIQDJI-UHFFFAOYSA-N -1 1 339.395 2.178 20 0 EEADMM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824152574 788064966 /nfs/dbraw/zinc/06/49/66/788064966.db2.gz IEUOPICDPGJBNG-NSHDSACASA-N -1 1 339.407 2.098 20 0 EEADMM CC(C)(C)n1ncc2c1CCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824152574 788064975 /nfs/dbraw/zinc/06/49/75/788064975.db2.gz IEUOPICDPGJBNG-NSHDSACASA-N -1 1 339.407 2.098 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824401279 788162973 /nfs/dbraw/zinc/16/29/73/788162973.db2.gz PIQINLKEYBTOCF-GFCCVEGCSA-N -1 1 339.403 2.198 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824401279 788162979 /nfs/dbraw/zinc/16/29/79/788162979.db2.gz PIQINLKEYBTOCF-GFCCVEGCSA-N -1 1 339.403 2.198 20 0 EEADMM C[C@H]1COc2ccccc2CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825007196 788379980 /nfs/dbraw/zinc/37/99/80/788379980.db2.gz XDLQEZMRESRLQY-JTQLQIEISA-N -1 1 341.396 2.352 20 0 EEADMM C[C@H]1COc2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825007196 788379988 /nfs/dbraw/zinc/37/99/88/788379988.db2.gz XDLQEZMRESRLQY-JTQLQIEISA-N -1 1 341.396 2.352 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1nn[n-]n1 ZINC000912861705 788422173 /nfs/dbraw/zinc/42/21/73/788422173.db2.gz VKUKFIIPQWZADZ-KCJUWKMLSA-N -1 1 341.387 2.192 20 0 EEADMM O=C(Nc1cccnc1N1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000913209203 788707036 /nfs/dbraw/zinc/70/70/36/788707036.db2.gz UIYNRTUYWWMYOG-UHFFFAOYSA-N -1 1 331.347 2.140 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H](c2cccnc2)C1 ZINC000843962887 788758735 /nfs/dbraw/zinc/75/87/35/788758735.db2.gz LAXPCLYYQBPGAV-LBPRGKRZSA-N -1 1 325.397 2.043 20 0 EEADMM CC[C@H](O)[C@@H](C)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000913482074 788931806 /nfs/dbraw/zinc/93/18/06/788931806.db2.gz FFIWURKCBKZINL-DOMZBBRYSA-N -1 1 340.851 2.097 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)[C@@H]([C@@H]2CCCO2)C1 ZINC000923159844 789004637 /nfs/dbraw/zinc/00/46/37/789004637.db2.gz QEBCUKPXVUOWSH-DFBGVHRSSA-N -1 1 343.383 2.047 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)[C@@H]([C@@H]2CCCO2)C1 ZINC000923165339 789012218 /nfs/dbraw/zinc/01/22/18/789012218.db2.gz XJFJITVOTJMAPW-DFBGVHRSSA-N -1 1 343.383 2.047 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001005957528 789020524 /nfs/dbraw/zinc/02/05/24/789020524.db2.gz PFPRDSVRNNHCOC-ZIAGYGMSSA-N -1 1 343.427 2.110 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccc2n[nH]nc2c1 ZINC000156341265 789071093 /nfs/dbraw/zinc/07/10/93/789071093.db2.gz KWUWKWPFRVWWQR-UHFFFAOYSA-N -1 1 334.133 2.073 20 0 EEADMM COC(=O)c1cccc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)n1 ZINC000844834813 789386159 /nfs/dbraw/zinc/38/61/59/789386159.db2.gz ZRJNUDQIQBVROI-UHFFFAOYSA-N -1 1 334.397 2.427 20 0 EEADMM CCn1nnc2c1CCN(Cc1c(F)cc([O-])cc1F)[C@H]2COC ZINC001144545147 789918369 /nfs/dbraw/zinc/91/83/69/789918369.db2.gz UDJPDZNZEXNMGL-HNNXBMFYSA-N -1 1 338.358 2.028 20 0 EEADMM CCOC(=O)c1cn2c(n1)CN(Cc1c(F)cc([O-])cc1F)CC2 ZINC001144555005 789935318 /nfs/dbraw/zinc/93/53/18/789935318.db2.gz QQQLHVIFLWLMBF-UHFFFAOYSA-N -1 1 337.326 2.059 20 0 EEADMM O=C(NCC1(NC(=O)C2=CCCCCC2)CCC1)c1ncccc1[O-] ZINC001062839590 789939011 /nfs/dbraw/zinc/93/90/11/789939011.db2.gz WXHMKGGYZVGRGG-UHFFFAOYSA-N -1 1 343.427 2.446 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cnc3ccccc3n2)C1 ZINC001062922903 790018827 /nfs/dbraw/zinc/01/88/27/790018827.db2.gz CUGUTMRPLODXFK-CYBMUJFWSA-N -1 1 349.394 2.081 20 0 EEADMM COc1cccnc1N1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144659327 790028630 /nfs/dbraw/zinc/02/86/30/790028630.db2.gz DJDPLSKBODIPPJ-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])co1 ZINC000946191533 790043380 /nfs/dbraw/zinc/04/33/80/790043380.db2.gz FEZWSDXBBIKBGM-GXTWGEPZSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1ccoc1C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000946194382 790055857 /nfs/dbraw/zinc/05/58/57/790055857.db2.gz MHPAPJCRMVMQGF-OLZOCXBDSA-N -1 1 343.383 2.017 20 0 EEADMM Nc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CO)nc2)cc1Cl ZINC001212382526 791654693 /nfs/dbraw/zinc/65/46/93/791654693.db2.gz YWVRXEIJKRMYRC-UHFFFAOYSA-N -1 1 348.211 2.264 20 0 EEADMM Cc1nccc(NCC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001063832125 791801648 /nfs/dbraw/zinc/80/16/48/791801648.db2.gz ZQONPWCBYBCKMA-AWEZNQCLSA-N -1 1 341.415 2.383 20 0 EEADMM Cc1nccc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063879503 791874143 /nfs/dbraw/zinc/87/41/43/791874143.db2.gz CNBNGOIMECIXSZ-GXTWGEPZSA-N -1 1 341.415 2.238 20 0 EEADMM Cc1ccc2nc(C(=O)Nc3[n-]c(=O)nc4nc[nH]c43)sc2c1 ZINC001147563128 791885208 /nfs/dbraw/zinc/88/52/08/791885208.db2.gz XLDCOKRHDOZQSW-UHFFFAOYSA-N -1 1 326.341 2.229 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1nccnc1F ZINC001063936707 791996367 /nfs/dbraw/zinc/99/63/67/791996367.db2.gz FRNXDWDZOPVPKD-NWDGAFQWSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NC[C@@](C)(O)C(C)C)c1 ZINC000174409755 792090100 /nfs/dbraw/zinc/09/01/00/792090100.db2.gz KWFILMLXZVBRMG-QGZVFWFLSA-N -1 1 348.472 2.439 20 0 EEADMM CCOC(=O)Nc1cccc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)c1 ZINC001148818303 792727153 /nfs/dbraw/zinc/72/71/53/792727153.db2.gz YWZFUKSJZQSZON-UHFFFAOYSA-N -1 1 346.343 2.407 20 0 EEADMM C[C@@H](NC(=O)c1cc([O-])c(Br)c(O)c1)c1ccno1 ZINC001148998265 792820349 /nfs/dbraw/zinc/82/03/49/792820349.db2.gz LGVCCZABFHSFCQ-ZCFIWIBFSA-N -1 1 327.134 2.339 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3SCCS[C@H]23)sn1 ZINC000867028274 793116036 /nfs/dbraw/zinc/11/60/36/793116036.db2.gz NERVDIANBXUWED-FXPVBKGRSA-N -1 1 336.529 2.109 20 0 EEADMM C[C@H]1C[C@H](Nc2cccc(F)n2)CCN1C(=O)c1ncccc1[O-] ZINC001064766027 793693174 /nfs/dbraw/zinc/69/31/74/793693174.db2.gz NNQVHNULISXVOI-NWDGAFQWSA-N -1 1 330.363 2.427 20 0 EEADMM CSc1ccnc(N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272940 793922394 /nfs/dbraw/zinc/92/23/94/793922394.db2.gz SFINOVDBIJVWBS-MNOVXSKESA-N -1 1 347.444 2.308 20 0 EEADMM Cc1nc(Cl)cc(NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001064897610 793933738 /nfs/dbraw/zinc/93/37/38/793933738.db2.gz QRDRUHYKNUBXSD-NSHDSACASA-N -1 1 347.806 2.256 20 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KLWMKKRCGJBYIF-UHFFFAOYSA-N -1 1 337.353 2.203 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1Cl ZINC000342775022 161089629 /nfs/dbraw/zinc/08/96/29/161089629.db2.gz CWVUUPXGOQKHQB-UHFFFAOYSA-N -1 1 349.803 2.425 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc3ccsc3s2)o1 ZINC000344434682 161226917 /nfs/dbraw/zinc/22/69/17/161226917.db2.gz LLITVKMXFREZGG-UHFFFAOYSA-N -1 1 343.411 2.111 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])C1 ZINC000345300764 161289306 /nfs/dbraw/zinc/28/93/06/161289306.db2.gz IMNIWXRBWSMPFV-MNOVXSKESA-N -1 1 338.429 2.208 20 0 EEADMM O=C(Nc1ccncc1[O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000345376702 161296425 /nfs/dbraw/zinc/29/64/25/161296425.db2.gz GNRHSGSLLMFSDW-UHFFFAOYSA-N -1 1 346.408 2.178 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000345690399 161323167 /nfs/dbraw/zinc/32/31/67/161323167.db2.gz LDBDWJOTYHRPIC-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)c1 ZINC000345724309 161326282 /nfs/dbraw/zinc/32/62/82/161326282.db2.gz WDNPLBAVSFTZBF-LDYMZIIASA-N -1 1 341.205 2.316 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)o1 ZINC000346473981 161375082 /nfs/dbraw/zinc/37/50/82/161375082.db2.gz HALYDJXFHFBXAM-UHFFFAOYSA-N -1 1 349.368 2.442 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(Cc3ccccc3)CCC2)o1 ZINC000352493784 162156966 /nfs/dbraw/zinc/15/69/66/162156966.db2.gz VISCVRNLZYWOGA-UHFFFAOYSA-N -1 1 348.424 2.083 20 0 EEADMM CC(C)(NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1nn[n-]n1 ZINC000354877017 163000414 /nfs/dbraw/zinc/00/04/14/163000414.db2.gz KRWVZWVTYXFJDU-UHFFFAOYSA-N -1 1 338.293 2.365 20 0 EEADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1C ZINC000356088619 163330025 /nfs/dbraw/zinc/33/00/25/163330025.db2.gz LQPXCNNUXXWBJN-UHFFFAOYSA-N -1 1 334.397 2.212 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000359040210 164043945 /nfs/dbraw/zinc/04/39/45/164043945.db2.gz YTDRSDBMIBQUKN-UHFFFAOYSA-N -1 1 347.421 2.457 20 0 EEADMM COCCCC[C@H](Nc1nc2[nH][n-]cc-2c(=O)n1)c1ccccc1 ZINC000359885114 164190591 /nfs/dbraw/zinc/19/05/91/164190591.db2.gz ZPLJFVAPAPAVRP-AWEZNQCLSA-N -1 1 327.388 2.402 20 0 EEADMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360029153 164219662 /nfs/dbraw/zinc/21/96/62/164219662.db2.gz JZDBKPIAQRJMHA-SNVBAGLBSA-N -1 1 335.372 2.363 20 0 EEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NC3CCCCC3)CC2)n1 ZINC000375946925 167232521 /nfs/dbraw/zinc/23/25/21/167232521.db2.gz IZVUIUROQXSSNV-UHFFFAOYSA-N -1 1 349.435 2.203 20 0 EEADMM CCC[C@@](C)([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)OC ZINC000122751915 222150780 /nfs/dbraw/zinc/15/07/80/222150780.db2.gz USTQPGNXMUHWOJ-CQSZACIVSA-N -1 1 335.372 2.116 20 0 EEADMM COC(=O)c1c[n-]c(SCC(=O)Nc2cc(C)ccc2OC)n1 ZINC000274935906 269077577 /nfs/dbraw/zinc/07/75/77/269077577.db2.gz PULKQHZAJFGSHD-UHFFFAOYSA-N -1 1 335.385 2.244 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000278232215 269217080 /nfs/dbraw/zinc/21/70/80/269217080.db2.gz FPZYIQSNLJWQJX-VXGBXAGGSA-N -1 1 335.404 2.305 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC000280677756 269384688 /nfs/dbraw/zinc/38/46/88/269384688.db2.gz WDHIWKJWETULJH-MEBBXXQBSA-N -1 1 345.317 2.431 20 0 EEADMM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCF ZINC000280808168 269392284 /nfs/dbraw/zinc/39/22/84/269392284.db2.gz STINWKQOIDVURX-UHFFFAOYSA-N -1 1 346.605 2.359 20 0 EEADMM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000181788643 274008183 /nfs/dbraw/zinc/00/81/83/274008183.db2.gz OBMKLXIUTGYRKY-AWEZNQCLSA-N -1 1 335.429 2.492 20 0 EEADMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183414092 274016076 /nfs/dbraw/zinc/01/60/76/274016076.db2.gz VGLXEXIBEIAEBM-DTWKUNHWSA-N -1 1 341.774 2.022 20 0 EEADMM Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000188282291 274029917 /nfs/dbraw/zinc/02/99/17/274029917.db2.gz UWXWSQMWUVCKEC-CYBMUJFWSA-N -1 1 341.379 2.155 20 0 EEADMM Cc1cccc(O[C@@H](C)CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287597419 274975038 /nfs/dbraw/zinc/97/50/38/274975038.db2.gz MFXMKCNUDQQOEV-ACIHENLCSA-N -1 1 339.399 2.239 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)S1(=O)=O ZINC000288880714 275089722 /nfs/dbraw/zinc/08/97/22/275089722.db2.gz YOGJBFWHEVVZIA-GXSJLCMTSA-N -1 1 331.821 2.083 20 0 EEADMM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000289244174 275105557 /nfs/dbraw/zinc/10/55/57/275105557.db2.gz WZNZYPPBRKOPIK-INIZCTEOSA-N -1 1 344.411 2.015 20 0 EEADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)NCC(F)(F)F ZINC000289682657 275138610 /nfs/dbraw/zinc/13/86/10/275138610.db2.gz ZMQPORRINVSELD-BYPYZUCNSA-N -1 1 331.266 2.279 20 0 EEADMM COc1cccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000290264962 275193409 /nfs/dbraw/zinc/19/34/09/275193409.db2.gz BFLNVKNWJWOBOD-NSHDSACASA-N -1 1 344.333 2.226 20 0 EEADMM O=C([N-]C[C@H]1CCCN(C(=O)c2cccc(F)c2)C1)C(F)(F)F ZINC000290389860 275203358 /nfs/dbraw/zinc/20/33/58/275203358.db2.gz OXUPQLJRWONYTO-SNVBAGLBSA-N -1 1 332.297 2.356 20 0 EEADMM COc1ccnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292119688 275379269 /nfs/dbraw/zinc/37/92/69/275379269.db2.gz KDQOUANLAYIUAE-ZWNOBZJWSA-N -1 1 331.338 2.122 20 0 EEADMM Cc1c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cnn1-c1ccccc1 ZINC000119396833 280249467 /nfs/dbraw/zinc/24/94/67/280249467.db2.gz NGKBLOUPEMUPOB-UHFFFAOYSA-N -1 1 348.366 2.420 20 0 EEADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)c2C1 ZINC000284165599 293042288 /nfs/dbraw/zinc/04/22/88/293042288.db2.gz SNCUQQSOLYYVPQ-UHFFFAOYSA-N -1 1 330.409 2.368 20 0 EEADMM CCCc1nc(C)c(C(=O)[N-]c2nnc(CC(=O)OCC)s2)o1 ZINC000293588313 293245883 /nfs/dbraw/zinc/24/58/83/293245883.db2.gz RECXNJSWZQEHAI-UHFFFAOYSA-N -1 1 338.389 2.145 20 0 EEADMM CSc1nc(C)c(CCC(=O)NCc2cc(C)ccn2)c(=O)[n-]1 ZINC000293911646 293325449 /nfs/dbraw/zinc/32/54/49/293325449.db2.gz CMPZWKIBJFHSKQ-UHFFFAOYSA-N -1 1 332.429 2.165 20 0 EEADMM CCS(=O)(=O)N(C)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295293981 293674855 /nfs/dbraw/zinc/67/48/55/293674855.db2.gz JIFUPPCAYSXVEQ-UHFFFAOYSA-N -1 1 346.880 2.292 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295748075 293807003 /nfs/dbraw/zinc/80/70/03/293807003.db2.gz WLMOJSDVFBBOAH-NWDGAFQWSA-N -1 1 344.798 2.467 20 0 EEADMM O=C(c1cccnc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295037022 311539309 /nfs/dbraw/zinc/53/93/09/311539309.db2.gz XYRRNBXKNPNXSO-UHFFFAOYSA-N -1 1 331.803 2.399 20 0 EEADMM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2cc1[O-] ZINC000332100510 311949183 /nfs/dbraw/zinc/94/91/83/311949183.db2.gz GHCFXBJNSAYSFS-LBPRGKRZSA-N -1 1 333.409 2.052 20 0 EEADMM C[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCN1 ZINC000415478168 313127786 /nfs/dbraw/zinc/12/77/86/313127786.db2.gz FZGCBRIERJECFM-SECBINFHSA-N -1 1 337.836 2.106 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)COCc2cccc(Cl)c2)n1 ZINC000415635001 313155818 /nfs/dbraw/zinc/15/58/18/313155818.db2.gz YGEHOMYATHGBIE-UHFFFAOYSA-N -1 1 337.763 2.395 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(OCCCOC)c2)n1 ZINC000415644750 313158927 /nfs/dbraw/zinc/15/89/27/313158927.db2.gz GFSXLMIXBLOKCS-UHFFFAOYSA-N -1 1 347.371 2.254 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c1 ZINC000432643343 314716762 /nfs/dbraw/zinc/71/67/62/314716762.db2.gz NZMQOVARYNWQBO-UHFFFAOYSA-N -1 1 334.372 2.454 20 0 EEADMM COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436575687 314976580 /nfs/dbraw/zinc/97/65/80/314976580.db2.gz JNADVAWSDRIVIE-GOSISDBHSA-N -1 1 331.368 2.243 20 0 EEADMM CCOC(=O)C1(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436879031 315008557 /nfs/dbraw/zinc/00/85/57/315008557.db2.gz MCRVFECEPHPKJW-UHFFFAOYSA-N -1 1 342.189 2.228 20 0 EEADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1N1C(=O)CNC1=O ZINC000436924238 315013588 /nfs/dbraw/zinc/01/35/88/315013588.db2.gz WHIMJWNPMNYDJC-UHFFFAOYSA-N -1 1 343.314 2.148 20 0 EEADMM COC(=O)[C@H](C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436942421 315014955 /nfs/dbraw/zinc/01/49/55/315014955.db2.gz VRUJLJXVKWVMMX-WBMJQRKESA-N -1 1 341.363 2.242 20 0 EEADMM O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1c([O-])cccc1F ZINC000436976397 315018640 /nfs/dbraw/zinc/01/86/40/315018640.db2.gz BJCKYUAYOOUNPY-UHFFFAOYSA-N -1 1 334.391 2.442 20 0 EEADMM COc1ccc2c(c1OC)CCN(C(=O)C(=O)c1ccc([O-])cc1)C2 ZINC000436984360 315019313 /nfs/dbraw/zinc/01/93/13/315019313.db2.gz AQKOLMIROBEHFK-UHFFFAOYSA-N -1 1 341.363 2.177 20 0 EEADMM O=S(=O)([N-]CCCC(F)(F)F)c1ccc(Br)cn1 ZINC000439226641 315070402 /nfs/dbraw/zinc/07/04/02/315070402.db2.gz VJJPISGGTNLOTH-UHFFFAOYSA-N -1 1 347.156 2.465 20 0 EEADMM Cc1csc(CCC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000444262226 315285942 /nfs/dbraw/zinc/28/59/42/315285942.db2.gz AHMQJJBVHCQZLU-UHFFFAOYSA-N -1 1 345.428 2.066 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccco1 ZINC000445063897 315341097 /nfs/dbraw/zinc/34/10/97/315341097.db2.gz IRDMUIKJUWPFTM-OAHLLOKOSA-N -1 1 332.381 2.494 20 0 EEADMM [O-]c1ccc(-c2noc(Cn3nnc(-c4ccccc4)n3)n2)cc1F ZINC000445478817 315357029 /nfs/dbraw/zinc/35/70/29/315357029.db2.gz DVOVBRLMVSHOAL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/26/16/26/319261626.db2.gz OJYHRWRVVXFNHT-KOLCDFICSA-N -1 1 330.837 2.060 20 0 EEADMM CC[C@H](C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000566234467 319263557 /nfs/dbraw/zinc/26/35/57/319263557.db2.gz LEFKYJRPWACCOP-BHYGNILZSA-N -1 1 332.444 2.466 20 0 EEADMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000567497234 319385517 /nfs/dbraw/zinc/38/55/17/319385517.db2.gz MODRHERURFQLST-LBPRGKRZSA-N -1 1 328.459 2.372 20 0 EEADMM Cc1cnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)[n-]c1=O ZINC000573862772 319973553 /nfs/dbraw/zinc/97/35/53/319973553.db2.gz BNGZLZCEPHSEOH-UHFFFAOYSA-N -1 1 347.396 2.383 20 0 EEADMM C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000576514435 320178707 /nfs/dbraw/zinc/17/87/07/320178707.db2.gz OQZZPPOCOMUQRO-MFKMUULPSA-N -1 1 337.470 2.057 20 0 EEADMM C[C@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1C(=O)[O-] ZINC000576584735 320185942 /nfs/dbraw/zinc/18/59/42/320185942.db2.gz SIMIVTVAOSPZSL-CMPLNLGQSA-N -1 1 345.355 2.008 20 0 EEADMM 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C[C@@H](NC(=O)c1cc(Br)ccc1[O-])[C@H](O)C(F)(F)F ZINC000644742812 471027240 /nfs/dbraw/zinc/02/72/40/471027240.db2.gz LOMJPSHHYLMELF-ANLVUFKYSA-N -1 1 342.111 2.196 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]Cc2csc(N(C)C)n2)c(F)c1 ZINC000644857628 471068544 /nfs/dbraw/zinc/06/85/44/471068544.db2.gz GKPRDMWUJXPYLH-UHFFFAOYSA-N -1 1 347.412 2.274 20 0 EEADMM COCC[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)[O-] ZINC000654797078 471180932 /nfs/dbraw/zinc/18/09/32/471180932.db2.gz HZWABADWELZRGP-SECBINFHSA-N -1 1 342.302 2.112 20 0 EEADMM C[C@@H]1CN(CCCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000652497448 471300717 /nfs/dbraw/zinc/30/07/17/471300717.db2.gz WFHDGHXWVVXBNB-IUODEOHRSA-N -1 1 343.420 2.032 20 0 EEADMM CC[C@](CNC(=O)c1[nH]nc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC000666371529 471377457 /nfs/dbraw/zinc/37/74/57/471377457.db2.gz SVUXJDIRVPUYOR-LJQANCHMSA-N -1 1 341.411 2.451 20 0 EEADMM O=C(NCC[C@@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000652951304 471429372 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20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CCCc2ccco2)c(F)c1 ZINC000660079318 471853523 /nfs/dbraw/zinc/85/35/23/471853523.db2.gz GSAYLIJZUKPMSV-UHFFFAOYSA-N -1 1 331.340 2.478 20 0 EEADMM CCOc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000665381046 472026901 /nfs/dbraw/zinc/02/69/01/472026901.db2.gz KLRZAZXFRIDTQM-UKRRQHHQSA-N -1 1 343.431 2.183 20 0 EEADMM CN(Cc1ccc(F)cc1)C(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662217106 472032605 /nfs/dbraw/zinc/03/26/05/472032605.db2.gz DSBCPJJOQLLZKC-UHFFFAOYSA-N -1 1 336.407 2.361 20 0 EEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCCC2 ZINC000683335532 485485313 /nfs/dbraw/zinc/48/53/13/485485313.db2.gz OYEAYJRQYRUHDV-CQSZACIVSA-N -1 1 341.411 2.494 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)o1 ZINC000170023075 485495207 /nfs/dbraw/zinc/49/52/07/485495207.db2.gz ARMZYBOYWZZCFM-UHFFFAOYSA-N -1 1 337.382 2.050 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC2([C@@H](O)C(C)C)CC2)c(F)c1 ZINC000678841296 485519820 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EEADMM O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000684482998 485900146 /nfs/dbraw/zinc/90/01/46/485900146.db2.gz WURUTPIUOGLWCF-CQSZACIVSA-N -1 1 326.331 2.363 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)N(C)CC2CC2)n1 ZINC000675284661 485946055 /nfs/dbraw/zinc/94/60/55/485946055.db2.gz IAZIBALJZNFATH-ZDUSSCGKSA-N -1 1 334.445 2.491 20 0 EEADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000671792774 486002493 /nfs/dbraw/zinc/00/24/93/486002493.db2.gz WXWHXZZDOLYYCN-AWEZNQCLSA-N -1 1 340.301 2.353 20 0 EEADMM CCOc1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc(Cl)c1[O-] ZINC000680818670 486054896 /nfs/dbraw/zinc/05/48/96/486054896.db2.gz BXINRAXFQVRLQX-XHVZSJERSA-N -1 1 325.792 2.287 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NC)cc(Cl)c1[O-] ZINC000680817402 486055214 /nfs/dbraw/zinc/05/52/14/486055214.db2.gz GYNRIFYTGYXBKR-LBPRGKRZSA-N -1 1 342.823 2.335 20 0 EEADMM O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc([O-])c(F)c1 ZINC000681018701 486114074 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Cc1nn(C)c(C)c1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000123177931 501008431 /nfs/dbraw/zinc/00/84/31/501008431.db2.gz KPJJVPORWFHDGT-UHFFFAOYSA-N -1 1 338.205 2.435 20 0 EEADMM C[C@@H](CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1nn[n-]n1 ZINC000183441910 533725423 /nfs/dbraw/zinc/72/54/23/533725423.db2.gz QSLWTPWQJAFDIA-VIFPVBQESA-N -1 1 346.778 2.384 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000495497519 534800161 /nfs/dbraw/zinc/80/01/61/534800161.db2.gz LVHSBXQIFZDPLJ-UHFFFAOYSA-N -1 1 335.404 2.307 20 0 EEADMM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)OC ZINC000446923913 535139747 /nfs/dbraw/zinc/13/97/47/535139747.db2.gz YJSMUALPPDGJBY-LBPRGKRZSA-N -1 1 347.433 2.186 20 0 EEADMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000451579626 535390889 /nfs/dbraw/zinc/39/08/89/535390889.db2.gz GOHGWIWFKWETDK-AWEZNQCLSA-N -1 1 342.392 2.011 20 0 EEADMM Cc1[nH]c(C(=O)CN2C[C@H]3CCCCN3C[C@H]2C)c(C)c1C(=O)[O-] ZINC000738152794 578001516 /nfs/dbraw/zinc/00/15/16/578001516.db2.gz 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ZINC000738386517 578012255 /nfs/dbraw/zinc/01/22/55/578012255.db2.gz LOKVGSINCFRUON-QGZVFWFLSA-N -1 1 336.399 2.212 20 0 EEADMM O[C@H](c1ccccc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738386517 578012256 /nfs/dbraw/zinc/01/22/56/578012256.db2.gz LOKVGSINCFRUON-QGZVFWFLSA-N -1 1 336.399 2.212 20 0 EEADMM c1nc(-c2nn[n-]n2)nn1CCOc1ccc(Oc2ccccc2)cc1 ZINC000738431999 578014631 /nfs/dbraw/zinc/01/46/31/578014631.db2.gz BBRYEBPOXPWFHA-UHFFFAOYSA-N -1 1 349.354 2.330 20 0 EEADMM CSCCNC(=O)c1ccc(I)c([O-])c1 ZINC000230886472 576170674 /nfs/dbraw/zinc/17/06/74/576170674.db2.gz ZNECBVJTLNHWCR-UHFFFAOYSA-N -1 1 337.182 2.090 20 0 EEADMM CC(C)OCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000733442823 577236157 /nfs/dbraw/zinc/23/61/57/577236157.db2.gz VBURLBVPZPVWEE-UHFFFAOYSA-N -1 1 347.433 2.328 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000773685971 577358445 /nfs/dbraw/zinc/35/84/45/577358445.db2.gz RZEGOJAVMRKKIB-LBPRGKRZSA-N -1 1 335.404 2.030 20 0 EEADMM CO[C@H](CNC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC000773855894 577369197 /nfs/dbraw/zinc/36/91/97/577369197.db2.gz UFQHKSWYZJAWMZ-CYBMUJFWSA-N -1 1 328.397 2.136 20 0 EEADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774047731 577380026 /nfs/dbraw/zinc/38/00/26/577380026.db2.gz YZNXVAKQRPHHLK-RISCZKNCSA-N -1 1 342.424 2.260 20 0 EEADMM CCc1ccc(OCC(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774885101 577422020 /nfs/dbraw/zinc/42/20/20/577422020.db2.gz STNLFGGIYBJMAA-UHFFFAOYSA-N -1 1 333.306 2.240 20 0 EEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765109452 577495269 /nfs/dbraw/zinc/49/52/69/577495269.db2.gz LBBOYYXBODQNKF-BMOGTNHUSA-N -1 1 341.415 2.103 20 0 EEADMM CCCCc1ccc(C(=O)CCC(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765459635 577501391 /nfs/dbraw/zinc/50/13/91/577501391.db2.gz NDKSVWORMUFAPV-UHFFFAOYSA-N -1 1 345.399 2.157 20 0 EEADMM Cn1[n-]c(COC(=O)c2cc(-c3ccccn3)ccc2Cl)nc1=O ZINC000765502184 577502066 /nfs/dbraw/zinc/50/20/66/577502066.db2.gz LXDRIBVTDWHWJX-UHFFFAOYSA-N -1 1 344.758 2.181 20 0 EEADMM CCc1cc2c(COC(=O)C[C@@H]3COC(=O)C3)cc(=O)oc2cc1[O-] ZINC000767600102 577540901 /nfs/dbraw/zinc/54/09/01/577540901.db2.gz MCOFAPXPNQJKJS-SNVBAGLBSA-N -1 1 346.335 2.057 20 0 EEADMM CC[C@@H](C)NC(=O)CN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000768250792 577552792 /nfs/dbraw/zinc/55/27/92/577552792.db2.gz GIPASJLUDSAAAW-CYBMUJFWSA-N -1 1 339.867 2.078 20 0 EEADMM CN(C(=O)[C@@H]1CSCN1C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769743668 577583302 /nfs/dbraw/zinc/58/33/02/577583302.db2.gz MWNKJNLKAXOKRU-NSHDSACASA-N -1 1 340.832 2.182 20 0 EEADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)o1 ZINC000769910885 577586978 /nfs/dbraw/zinc/58/69/78/577586978.db2.gz ZZTXXHUGGAGXOA-RXMQYKEDSA-N -1 1 337.188 2.119 20 0 EEADMM COc1cccc([C@@H](O)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000762407924 577700610 /nfs/dbraw/zinc/70/06/10/577700610.db2.gz YDEIUCXQKHVUNV-AWEZNQCLSA-N -1 1 345.399 2.086 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc([C@@]2(C)CCCO2)no1 ZINC000763332645 577719240 /nfs/dbraw/zinc/71/92/40/577719240.db2.gz KPPUPMLEGLVKGH-NOZJJQNGSA-N -1 1 343.430 2.196 20 0 EEADMM Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C=O)CCCCC2)no1 ZINC000750992488 577746557 /nfs/dbraw/zinc/74/65/57/577746557.db2.gz WXLOLMWHZSREDP-UHFFFAOYSA-N -1 1 349.412 2.328 20 0 EEADMM COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(F)ccc2[O-])c1 ZINC000751067368 577747748 /nfs/dbraw/zinc/74/77/48/577747748.db2.gz ZYWPRLFAKBTLAI-MRXNPFEDSA-N -1 1 335.331 2.012 20 0 EEADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000754647054 577810034 /nfs/dbraw/zinc/81/00/34/577810034.db2.gz UJITXQKMZYMHRR-NFAWXSAZSA-N -1 1 341.415 2.089 20 0 EEADMM O=C([N-]Cc1cnn(CC(F)(F)F)c1)C(F)(F)c1nccs1 ZINC000756509794 577845383 /nfs/dbraw/zinc/84/53/83/577845383.db2.gz JUBXCUBRKAOGIO-UHFFFAOYSA-N -1 1 340.277 2.310 20 0 EEADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)c1ccncc1 ZINC000757690016 577862564 /nfs/dbraw/zinc/86/25/64/577862564.db2.gz LMCGFLKVDRSIIZ-SECBINFHSA-N -1 1 326.399 2.433 20 0 EEADMM CCS(=O)(=O)Oc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000742283702 577870463 /nfs/dbraw/zinc/87/04/63/577870463.db2.gz NNTRSYDNRWIHGM-UHFFFAOYSA-N -1 1 341.410 2.216 20 0 EEADMM COC(=O)c1ccc(C)c(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000747247616 577941710 /nfs/dbraw/zinc/94/17/10/577941710.db2.gz LYZHYKMZBQWFSE-UHFFFAOYSA-N -1 1 338.385 2.396 20 0 EEADMM COC(=O)c1ccc(C)c(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000747247616 577941711 /nfs/dbraw/zinc/94/17/11/577941711.db2.gz LYZHYKMZBQWFSE-UHFFFAOYSA-N -1 1 338.385 2.396 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCN(CC(F)F)CC1 ZINC000747370482 577943113 /nfs/dbraw/zinc/94/31/13/577943113.db2.gz IRKLNUCMGJUIPH-UHFFFAOYSA-N -1 1 342.390 2.073 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000747378784 577943216 /nfs/dbraw/zinc/94/32/16/577943216.db2.gz RMATVQSFOWIOKQ-UHFFFAOYSA-N -1 1 342.355 2.311 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1[O-] ZINC000749205148 577972714 /nfs/dbraw/zinc/97/27/14/577972714.db2.gz YKODRQQZLDVHCY-AOOOYVTPSA-N -1 1 348.378 2.429 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC[C@H]2CCCO2)o1 ZINC000749207816 577972833 /nfs/dbraw/zinc/97/28/33/577972833.db2.gz QMODTSPEGQJJRB-LLVKDONJSA-N -1 1 345.417 2.082 20 0 EEADMM C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(F)ccc1[O-] ZINC000750538418 577994676 /nfs/dbraw/zinc/99/46/76/577994676.db2.gz IKYBRSVRSAJFCK-SNVBAGLBSA-N -1 1 326.368 2.422 20 0 EEADMM Cc1nonc1[N-]C(=O)c1occc1CS(=O)(=O)c1ccccc1 ZINC000750550914 577995044 /nfs/dbraw/zinc/99/50/44/577995044.db2.gz DGDFHSFXKUQWJT-UHFFFAOYSA-N -1 1 347.352 2.197 20 0 EEADMM Brc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000735369402 578149678 /nfs/dbraw/zinc/14/96/78/578149678.db2.gz SYBMUYXGUKKHAL-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000735369402 578149679 /nfs/dbraw/zinc/14/96/79/578149679.db2.gz SYBMUYXGUKKHAL-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(C)(C)c1ccc(C=CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)cc1 ZINC000735649947 578162351 /nfs/dbraw/zinc/16/23/51/578162351.db2.gz MJCZUYBVKATFOP-WUKHSURWSA-N -1 1 341.415 2.111 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccs1 ZINC000736143354 578183159 /nfs/dbraw/zinc/18/31/59/578183159.db2.gz UABNGJSTTUOJGT-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@](O)(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccs1 ZINC000736143354 578183160 /nfs/dbraw/zinc/18/31/60/578183160.db2.gz UABNGJSTTUOJGT-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC000736156950 578183555 /nfs/dbraw/zinc/18/35/55/578183555.db2.gz GLUKNFZRFBUDOA-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC000736156950 578183556 /nfs/dbraw/zinc/18/35/56/578183556.db2.gz GLUKNFZRFBUDOA-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM CC(C)N(CCC(=O)[O-])CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000736467829 578206034 /nfs/dbraw/zinc/20/60/34/578206034.db2.gz HIRJJNMDONGZGH-QGZVFWFLSA-N -1 1 339.436 2.020 20 0 EEADMM C[C@H](CN(C(=O)[C@H](C)N1CCc2ccccc2C1)C1CC1)C(=O)[O-] ZINC000736561769 578211468 /nfs/dbraw/zinc/21/14/68/578211468.db2.gz MTKUCUGMXQKGHT-KGLIPLIRSA-N -1 1 330.428 2.145 20 0 EEADMM CCc1nnc([C@@H](C)Sc2nc(C)nc(C)c2-c2nn[n-]n2)o1 ZINC000736708568 578219146 /nfs/dbraw/zinc/21/91/46/578219146.db2.gz YFTFFFMAYJWEDV-SSDOTTSWSA-N -1 1 332.393 2.072 20 0 EEADMM C[C@@H](c1nc(-c2cccnc2)no1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736724099 578220321 /nfs/dbraw/zinc/22/03/21/578220321.db2.gz IVSVETVJRIWJHI-AAEUAGOBSA-N -1 1 328.372 2.379 20 0 EEADMM CN(C)Cc1cc(CNc2ccc(-c3nn[nH]n3)cn2)ccc1F ZINC000736772075 578222804 /nfs/dbraw/zinc/22/28/04/578222804.db2.gz WKKYWGDSPBGDAT-UHFFFAOYSA-N -1 1 327.367 2.075 20 0 EEADMM CC[C@@](C)(NCC(=O)Nc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC000736863830 578227391 /nfs/dbraw/zinc/22/73/91/578227391.db2.gz QNJFDNNFQUCHOO-CQSZACIVSA-N -1 1 325.365 2.217 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](c2ccccc2C)C1)C(=O)[O-] ZINC000736874815 578227688 /nfs/dbraw/zinc/22/76/88/578227688.db2.gz DRHFGPWZTADSHN-DHSIGJKJSA-N -1 1 332.444 2.400 20 0 EEADMM COc1cccc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737130887 578239900 /nfs/dbraw/zinc/23/99/00/578239900.db2.gz ZKQIBCXRPVQQNH-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM COc1cccc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737130887 578239901 /nfs/dbraw/zinc/23/99/01/578239901.db2.gz ZKQIBCXRPVQQNH-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000737157466 578241311 /nfs/dbraw/zinc/24/13/11/578241311.db2.gz MKRNSWQBTFAVES-HZPDHXFCSA-N -1 1 348.443 2.483 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N2CCCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC000737186061 578242777 /nfs/dbraw/zinc/24/27/77/578242777.db2.gz FMRQPOXWZOHQPE-SECBINFHSA-N -1 1 348.432 2.094 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000737301981 578249197 /nfs/dbraw/zinc/24/91/97/578249197.db2.gz ZNNQARXEHTUPET-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737420090 578256548 /nfs/dbraw/zinc/25/65/48/578256548.db2.gz ICSRJMRHRKAIEK-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737420090 578256549 /nfs/dbraw/zinc/25/65/49/578256549.db2.gz ICSRJMRHRKAIEK-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Cn1ncc2c1CCC[C@@H]2Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737628097 578267468 /nfs/dbraw/zinc/26/74/68/578267468.db2.gz NQVXFLDWHSPRJX-JTQLQIEISA-N -1 1 330.783 2.138 20 0 EEADMM Cn1ncc2c1CCC[C@@H]2Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737628097 578267469 /nfs/dbraw/zinc/26/74/69/578267469.db2.gz NQVXFLDWHSPRJX-JTQLQIEISA-N -1 1 330.783 2.138 20 0 EEADMM CSC1(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)CCOCC1 ZINC000821951434 599052907 /nfs/dbraw/zinc/05/29/07/599052907.db2.gz YNMPYJAPRXIWGN-UHFFFAOYSA-N -1 1 340.840 2.239 20 0 EEADMM CSC1(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)CCOCC1 ZINC000821951434 599052909 /nfs/dbraw/zinc/05/29/09/599052909.db2.gz YNMPYJAPRXIWGN-UHFFFAOYSA-N -1 1 340.840 2.239 20 0 EEADMM Cc1nn(-c2ccccc2)c(CS[C@@H](C)[C@@H](C)O)c1-c1nn[n-]n1 ZINC000822486551 599131695 /nfs/dbraw/zinc/13/16/95/599131695.db2.gz OHGMOCDBUBOHME-NEPJUHHUSA-N -1 1 344.444 2.363 20 0 EEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000822203066 607307421 /nfs/dbraw/zinc/30/74/21/607307421.db2.gz CJHASBQJYSJTGY-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM COc1ccccc1N1CC[C@@H](NCc2cccc(C(=O)[O-])c2)C1=O ZINC000263437923 598192670 /nfs/dbraw/zinc/19/26/70/598192670.db2.gz VHINGFPOLLWFJZ-OAHLLOKOSA-N -1 1 340.379 2.289 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000405019950 599850013 /nfs/dbraw/zinc/85/00/13/599850013.db2.gz WJVXTXZERGFLOT-UHFFFAOYSA-N -1 1 339.344 2.398 20 0 EEADMM Cc1[nH]ncc1CCCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000392469302 600011451 /nfs/dbraw/zinc/01/14/51/600011451.db2.gz CRNDMRYZPHSGAP-UHFFFAOYSA-N -1 1 328.372 2.074 20 0 EEADMM CCC(CC)(NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000094240633 600790141 /nfs/dbraw/zinc/79/01/41/600790141.db2.gz IRIQQXHWCQDGJR-UHFFFAOYSA-N -1 1 325.308 2.026 20 0 EEADMM Cc1sc(NC(=O)CN(C)C2CCOCC2)c(C(=O)[O-])c1C ZINC000833034450 601116037 /nfs/dbraw/zinc/11/60/37/601116037.db2.gz UXDJQDOJFOMHJA-UHFFFAOYSA-N -1 1 326.418 2.112 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000827368761 601123220 /nfs/dbraw/zinc/12/32/20/601123220.db2.gz JPOTVVUBRADDHM-NSHDSACASA-N -1 1 325.796 2.353 20 0 EEADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(C/C=C(\C)C(=O)[O-])C1 ZINC000825824023 601177697 /nfs/dbraw/zinc/17/76/97/601177697.db2.gz ZIQWPYWOKKQELD-DTHCKZEYSA-N -1 1 349.431 2.252 20 0 EEADMM COc1cccc(/C(C)=C/C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832524383 601291213 /nfs/dbraw/zinc/29/12/13/601291213.db2.gz WNAWSKDFEZBIGV-ATGUSINASA-N -1 1 346.427 2.106 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000827386466 601337872 /nfs/dbraw/zinc/33/78/72/601337872.db2.gz TZIOCGUMHAKORP-JTQLQIEISA-N -1 1 343.399 2.142 20 0 EEADMM C[C@@H](N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccnc1 ZINC000827728052 601349091 /nfs/dbraw/zinc/34/90/91/601349091.db2.gz PRINBWOFVIYEOE-MFKMUULPSA-N -1 1 331.397 2.297 20 0 EEADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)N(C)C ZINC000832803460 601409318 /nfs/dbraw/zinc/40/93/18/601409318.db2.gz KIIQQBXNBAWJEH-JOYOIKCWSA-N -1 1 343.221 2.031 20 0 EEADMM C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C(=O)[O-] ZINC000828455656 601536844 /nfs/dbraw/zinc/53/68/44/601536844.db2.gz DSDPDQNRBVFTBK-SCZZXKLOSA-N -1 1 342.189 2.330 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000831527292 601539462 /nfs/dbraw/zinc/53/94/62/601539462.db2.gz VBEZQYWUQDKQSY-RDTXWAMCSA-N -1 1 334.416 2.459 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])[nH]1 ZINC000833021906 601610583 /nfs/dbraw/zinc/61/05/83/601610583.db2.gz SDFYJUPNCVLYHB-QMTHXVAHSA-N -1 1 348.428 2.174 20 0 EEADMM O=C([O-])c1cn(CN2CCC[C@@]3(CCCc4ccccc43)C2)nn1 ZINC000833338778 601798810 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Cc1nnc(SCCC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])[nH]1 ZINC000833021479 602050388 /nfs/dbraw/zinc/05/03/88/602050388.db2.gz MRNWXYVQPJMWAM-VXGBXAGGSA-N -1 1 340.449 2.135 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])[nH]1 ZINC000833021476 602050724 /nfs/dbraw/zinc/05/07/24/602050724.db2.gz MRNWXYVQPJMWAM-NEPJUHHUSA-N -1 1 340.449 2.135 20 0 EEADMM COc1ccc(-c2cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)n[nH]2)cc1 ZINC000237403089 602244718 /nfs/dbraw/zinc/24/47/18/602244718.db2.gz LZVGPKGDQCDWQG-NSHDSACASA-N -1 1 343.383 2.411 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826284857 607574061 /nfs/dbraw/zinc/57/40/61/607574061.db2.gz IINKCBMOIZFPFN-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826284857 607574063 /nfs/dbraw/zinc/57/40/63/607574063.db2.gz IINKCBMOIZFPFN-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2ncccc2c1 ZINC000826466947 607604449 /nfs/dbraw/zinc/60/44/49/607604449.db2.gz APNQLMWORXIYMK-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2ncccc2c1 ZINC000826466947 607604450 /nfs/dbraw/zinc/60/44/50/607604450.db2.gz APNQLMWORXIYMK-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM C[C@@H](COc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824447734 607613410 /nfs/dbraw/zinc/61/34/10/607613410.db2.gz BXWSJECNESAGDB-LBPRGKRZSA-N -1 1 339.355 2.020 20 0 EEADMM C[C@@H](COc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824447734 607613412 /nfs/dbraw/zinc/61/34/12/607613412.db2.gz BXWSJECNESAGDB-LBPRGKRZSA-N -1 1 339.355 2.020 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833257055 604319142 /nfs/dbraw/zinc/31/91/42/604319142.db2.gz LXNYCAWJTFNLBA-CYBMUJFWSA-N -1 1 330.344 2.072 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)CC(C)(C)CC(=O)[O-])[nH]c21 ZINC000833716515 604502180 /nfs/dbraw/zinc/50/21/80/604502180.db2.gz KARKHKKFJVMOJV-UHFFFAOYSA-N -1 1 333.344 2.179 20 0 EEADMM Cc1ccccc1Cc1noc(CNC2(CC(=O)[O-])CCOCC2)n1 ZINC000832978032 604796380 /nfs/dbraw/zinc/79/63/80/604796380.db2.gz FKJKYQGLXWDKFL-UHFFFAOYSA-N -1 1 345.399 2.082 20 0 EEADMM CC(C)CN1CCO[C@H](COC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826886038 604885485 /nfs/dbraw/zinc/88/54/85/604885485.db2.gz OWVDBTHNLNZWTA-ZDUSSCGKSA-N -1 1 339.363 2.038 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN(Cc2cccnc2)C2CC2)cc1 ZINC000833782853 604912336 /nfs/dbraw/zinc/91/23/36/604912336.db2.gz QYWYFRJGDLNLDB-KRWDZBQOSA-N -1 1 342.395 2.184 20 0 EEADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(OC)c1OC ZINC000832342774 604994935 /nfs/dbraw/zinc/99/49/35/604994935.db2.gz YAMLDVZQMZNEHX-CQSZACIVSA-N -1 1 332.356 2.023 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc2ccccc2c1 ZINC000833764023 605082921 /nfs/dbraw/zinc/08/29/21/605082921.db2.gz SICKNQOYBQLQFY-KRWDZBQOSA-N -1 1 337.379 2.308 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000833637750 605143089 /nfs/dbraw/zinc/14/30/89/605143089.db2.gz GBKBNVAODWAHJL-XMZIXOGTSA-N -1 1 340.395 2.100 20 0 EEADMM CC1(O)CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000833570860 605205012 /nfs/dbraw/zinc/20/50/12/605205012.db2.gz GGRNFSBNEADNKD-GFCCVEGCSA-N -1 1 328.206 2.422 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)CCN1CCC(=O)[O-] ZINC000833621600 605258152 /nfs/dbraw/zinc/25/81/52/605258152.db2.gz KSRFAPWTZUVWNP-OAHLLOKOSA-N -1 1 341.411 2.098 20 0 EEADMM CC(C)Oc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833507530 605275669 /nfs/dbraw/zinc/27/56/69/605275669.db2.gz SXXKEAPHIOKURY-AWEZNQCLSA-N -1 1 334.416 2.095 20 0 EEADMM CC(C)CN1Cc2cccc(NC(=O)c3cnc(C(=O)[O-])cn3)c2C1 ZINC000833487683 605569220 /nfs/dbraw/zinc/56/92/20/605569220.db2.gz MAFKTZITRMQSCC-UHFFFAOYSA-N -1 1 340.383 2.399 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1F ZINC000823396462 606134664 /nfs/dbraw/zinc/13/46/64/606134664.db2.gz JVBFXSJPFBCLBN-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1F ZINC000823396462 606134665 /nfs/dbraw/zinc/13/46/65/606134665.db2.gz JVBFXSJPFBCLBN-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM O=C(OC[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823400378 606136005 /nfs/dbraw/zinc/13/60/05/606136005.db2.gz CALPXBHEWWRCED-GFCCVEGCSA-N -1 1 342.380 2.399 20 0 EEADMM O=C(OC[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823400378 606136008 /nfs/dbraw/zinc/13/60/08/606136008.db2.gz CALPXBHEWWRCED-GFCCVEGCSA-N -1 1 342.380 2.399 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC000820021838 606276285 /nfs/dbraw/zinc/27/62/85/606276285.db2.gz ZIYNUDMONNENBJ-LBPRGKRZSA-N -1 1 342.428 2.493 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC000820021838 606276286 /nfs/dbraw/zinc/27/62/86/606276286.db2.gz ZIYNUDMONNENBJ-LBPRGKRZSA-N -1 1 342.428 2.493 20 0 EEADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1F ZINC000819866153 606294088 /nfs/dbraw/zinc/29/40/88/606294088.db2.gz JZIYLJFNAZTQGB-SECBINFHSA-N -1 1 327.319 2.454 20 0 EEADMM O=C(CCc1nc2ccccc2[nH]1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987229 606294571 /nfs/dbraw/zinc/29/45/71/606294571.db2.gz UELNYJNJWYCMMQ-UHFFFAOYSA-N -1 1 349.354 2.020 20 0 EEADMM CCCCC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)OC ZINC000821050783 606430392 /nfs/dbraw/zinc/43/03/92/606430392.db2.gz UKOHVHYMVUSDDI-JTQLQIEISA-N -1 1 338.799 2.449 20 0 EEADMM CCCCC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)OC ZINC000821050783 606430394 /nfs/dbraw/zinc/43/03/94/606430394.db2.gz UKOHVHYMVUSDDI-JTQLQIEISA-N -1 1 338.799 2.449 20 0 EEADMM COc1ccc(OC)c([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821842825 606443607 /nfs/dbraw/zinc/44/36/07/606443607.db2.gz VRVOYBDFOQPMQQ-SNVBAGLBSA-N -1 1 326.360 2.452 20 0 EEADMM COc1ccc(OC)c([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821842825 606443609 /nfs/dbraw/zinc/44/36/09/606443609.db2.gz VRVOYBDFOQPMQQ-SNVBAGLBSA-N -1 1 326.360 2.452 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821617105 606523318 /nfs/dbraw/zinc/52/33/18/606523318.db2.gz WYWCFPMHWFWPTC-UHFFFAOYSA-N -1 1 339.384 2.077 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821617105 606523320 /nfs/dbraw/zinc/52/33/20/606523320.db2.gz WYWCFPMHWFWPTC-UHFFFAOYSA-N -1 1 339.384 2.077 20 0 EEADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820299826 606530647 /nfs/dbraw/zinc/53/06/47/606530647.db2.gz LCRYRKLVARGEGW-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820299826 606530648 /nfs/dbraw/zinc/53/06/48/606530648.db2.gz LCRYRKLVARGEGW-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM O=C(NCCOC1CCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823206814 606567434 /nfs/dbraw/zinc/56/74/34/606567434.db2.gz VWORRJPBRONXBX-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(NCCOC1CCCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823206814 606567435 /nfs/dbraw/zinc/56/74/35/606567435.db2.gz VWORRJPBRONXBX-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820252838 606573819 /nfs/dbraw/zinc/57/38/19/606573819.db2.gz FCDVRLDFXADKSM-SNVBAGLBSA-N -1 1 330.417 2.018 20 0 EEADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820252838 606573820 /nfs/dbraw/zinc/57/38/20/606573820.db2.gz FCDVRLDFXADKSM-SNVBAGLBSA-N -1 1 330.417 2.018 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1c1ccccc1 ZINC000823482922 606579985 /nfs/dbraw/zinc/57/99/85/606579985.db2.gz CFXZWFPWFIZXIO-LBPRGKRZSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1c1ccccc1 ZINC000823482922 606579987 /nfs/dbraw/zinc/57/99/87/606579987.db2.gz CFXZWFPWFIZXIO-LBPRGKRZSA-N -1 1 341.396 2.142 20 0 EEADMM O=C(Nc1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823373434 606808486 /nfs/dbraw/zinc/80/84/86/606808486.db2.gz ZTNJRMJQYVEZRK-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM O=C(Nc1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823373434 606808487 /nfs/dbraw/zinc/80/84/87/606808487.db2.gz ZTNJRMJQYVEZRK-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM C[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)COc1ccccc1 ZINC000820286819 606896803 /nfs/dbraw/zinc/89/68/03/606896803.db2.gz GFQRRJNLYLYOFA-LBPRGKRZSA-N -1 1 339.355 2.134 20 0 EEADMM C[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)COc1ccccc1 ZINC000820286819 606896804 /nfs/dbraw/zinc/89/68/04/606896804.db2.gz GFQRRJNLYLYOFA-LBPRGKRZSA-N -1 1 339.355 2.134 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C(C)C ZINC000822009689 606927300 /nfs/dbraw/zinc/92/73/00/606927300.db2.gz BGKDMBIGLVTAOH-LLVKDONJSA-N -1 1 333.392 2.104 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821367468 606930164 /nfs/dbraw/zinc/93/01/64/606930164.db2.gz KLVLMIDNVIPKON-RYUDHWBXSA-N -1 1 334.401 2.433 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821367468 606930167 /nfs/dbraw/zinc/93/01/67/606930167.db2.gz KLVLMIDNVIPKON-RYUDHWBXSA-N -1 1 334.401 2.433 20 0 EEADMM CCCc1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)o1 ZINC000821142719 607030234 /nfs/dbraw/zinc/03/02/34/607030234.db2.gz MUIPFVBYCFEVPH-UHFFFAOYSA-N -1 1 340.372 2.297 20 0 EEADMM O[C@@]12CCCC[C@H]1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823696997 607032691 /nfs/dbraw/zinc/03/26/91/607032691.db2.gz HXNURDWPQULLHB-ZUZCIYMTSA-N -1 1 334.811 2.047 20 0 EEADMM O[C@@]12CCCC[C@H]1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823696997 607032693 /nfs/dbraw/zinc/03/26/93/607032693.db2.gz HXNURDWPQULLHB-ZUZCIYMTSA-N -1 1 334.811 2.047 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823379687 607105388 /nfs/dbraw/zinc/10/53/88/607105388.db2.gz DLQKPHWXHJUYCS-NKWVEPMBSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000823379687 607105390 /nfs/dbraw/zinc/10/53/90/607105390.db2.gz DLQKPHWXHJUYCS-NKWVEPMBSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823379618 607105662 /nfs/dbraw/zinc/10/56/62/607105662.db2.gz AWSKPCPQPPFMJN-VXNVDRBHSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823379618 607105663 /nfs/dbraw/zinc/10/56/63/607105663.db2.gz AWSKPCPQPPFMJN-VXNVDRBHSA-N -1 1 348.338 2.344 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820299434 607109625 /nfs/dbraw/zinc/10/96/25/607109625.db2.gz GKFXLABBHTZUBP-QMMMGPOBSA-N -1 1 332.364 2.280 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820299434 607109626 /nfs/dbraw/zinc/10/96/26/607109626.db2.gz GKFXLABBHTZUBP-QMMMGPOBSA-N -1 1 332.364 2.280 20 0 EEADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(F)cc1[O-] ZINC000823066383 607160458 /nfs/dbraw/zinc/16/04/58/607160458.db2.gz XEMWPLGOWOBNGC-UHFFFAOYSA-N -1 1 345.359 2.442 20 0 EEADMM CC[C@@](C)(CCCNc1cccc(-c2nnn[n-]2)n1)C1OCCO1 ZINC000825043096 607900807 /nfs/dbraw/zinc/90/08/07/607900807.db2.gz DTXUMNZTCNHRRG-INIZCTEOSA-N -1 1 332.408 2.243 20 0 EEADMM CC[C@@](C)(CCCNc1cccc(-c2nn[n-]n2)n1)C1OCCO1 ZINC000825043096 607900808 /nfs/dbraw/zinc/90/08/08/607900808.db2.gz DTXUMNZTCNHRRG-INIZCTEOSA-N -1 1 332.408 2.243 20 0 EEADMM Cc1cc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)CCO2)ccc1F ZINC000826266519 608151602 /nfs/dbraw/zinc/15/16/02/608151602.db2.gz RGDRSTFRWBUYFR-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)CCO2)ccc1F ZINC000826266519 608151604 /nfs/dbraw/zinc/15/16/04/608151604.db2.gz RGDRSTFRWBUYFR-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM COc1ccc([C@@H](OC)[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826189662 608239383 /nfs/dbraw/zinc/23/93/83/608239383.db2.gz AVUFKKMFVVNKKA-ZBEGNZNMSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc([C@@H](OC)[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826189662 608239384 /nfs/dbraw/zinc/23/93/84/608239384.db2.gz AVUFKKMFVVNKKA-ZBEGNZNMSA-N -1 1 340.387 2.458 20 0 EEADMM C[C@@H](CC(=O)n1ncc(-c2nn[n-]n2)c1N)Cc1ccc(Cl)cc1 ZINC000824391432 608278440 /nfs/dbraw/zinc/27/84/40/608278440.db2.gz IVOQGRFVPMKIBR-SECBINFHSA-N -1 1 345.794 2.208 20 0 EEADMM Clc1ccc2[nH]c(Sc3ccc(-c4nn[n-]n4)nn3)nc2c1 ZINC000826352554 608390832 /nfs/dbraw/zinc/39/08/32/608390832.db2.gz FWCFZODSJKZJDX-UHFFFAOYSA-N -1 1 330.764 2.338 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826368363 608394138 /nfs/dbraw/zinc/39/41/38/608394138.db2.gz MNXXJGSPHDMRCG-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826368363 608394140 /nfs/dbraw/zinc/39/41/40/608394140.db2.gz MNXXJGSPHDMRCG-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826290141 608424799 /nfs/dbraw/zinc/42/47/99/608424799.db2.gz CFMQRCXKJCGDCP-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826290141 608424800 /nfs/dbraw/zinc/42/48/00/608424800.db2.gz CFMQRCXKJCGDCP-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824191409 608425203 /nfs/dbraw/zinc/42/52/03/608425203.db2.gz DEPJODPFFZOJKS-AWEZNQCLSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824191409 608425205 /nfs/dbraw/zinc/42/52/05/608425205.db2.gz DEPJODPFFZOJKS-AWEZNQCLSA-N -1 1 327.367 2.475 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826523068 608426991 /nfs/dbraw/zinc/42/69/91/608426991.db2.gz ZIGVPDCPCKNHEX-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826523068 608426993 /nfs/dbraw/zinc/42/69/93/608426993.db2.gz ZIGVPDCPCKNHEX-LBPRGKRZSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(-c2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)nc1 ZINC000826519398 608436034 /nfs/dbraw/zinc/43/60/34/608436034.db2.gz XABIXNKJLXHVHA-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)nc1 ZINC000826519398 608436036 /nfs/dbraw/zinc/43/60/36/608436036.db2.gz XABIXNKJLXHVHA-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1cnn(-c2ccccc2)c1 ZINC000826279831 608542411 /nfs/dbraw/zinc/54/24/11/608542411.db2.gz DHBVTTQOZUVJKS-UHFFFAOYSA-N -1 1 346.398 2.392 20 0 EEADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000826280896 608542881 /nfs/dbraw/zinc/54/28/81/608542881.db2.gz VAMFJLBIYYQKEF-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000826280896 608542883 /nfs/dbraw/zinc/54/28/83/608542883.db2.gz VAMFJLBIYYQKEF-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc2c(c1)OCCCO2 ZINC000826280492 608544480 /nfs/dbraw/zinc/54/44/80/608544480.db2.gz DGHZIROXTFPAJB-UHFFFAOYSA-N -1 1 338.371 2.344 20 0 EEADMM CCc1sc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)cc1C ZINC000825782925 608887366 /nfs/dbraw/zinc/88/73/66/608887366.db2.gz VPHIUHPJMLHXRA-UHFFFAOYSA-N -1 1 342.388 2.094 20 0 EEADMM CCc1sc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)cc1C ZINC000825782925 608887367 /nfs/dbraw/zinc/88/73/67/608887367.db2.gz VPHIUHPJMLHXRA-UHFFFAOYSA-N -1 1 342.388 2.094 20 0 EEADMM CC(C)[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824190901 609287215 /nfs/dbraw/zinc/28/72/15/609287215.db2.gz BMVIJUUUUJOTQN-JTQLQIEISA-N -1 1 343.366 2.422 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](F)Cc1ccccc1 ZINC000826451288 609393145 /nfs/dbraw/zinc/39/31/45/609393145.db2.gz ZHFKYFLJLKUPEC-GFCCVEGCSA-N -1 1 327.319 2.092 20 0 EEADMM CC[C@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825183229 609416739 /nfs/dbraw/zinc/41/67/39/609416739.db2.gz NXVGAFSIJJTXBF-JQWIXIFHSA-N -1 1 331.376 2.106 20 0 EEADMM c1ccc(CC2CN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)cc1 ZINC000826520432 609435832 /nfs/dbraw/zinc/43/58/32/609435832.db2.gz JANBMAIPYJMWAN-UHFFFAOYSA-N -1 1 343.394 2.489 20 0 EEADMM c1ccc(CC2CN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)cc1 ZINC000826520432 609435834 /nfs/dbraw/zinc/43/58/34/609435834.db2.gz JANBMAIPYJMWAN-UHFFFAOYSA-N -1 1 343.394 2.489 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3cc(F)ccc3C)C2)c1[O-] ZINC000969506130 675081026 /nfs/dbraw/zinc/08/10/26/675081026.db2.gz NAHGWHMICMRYON-NSHDSACASA-N -1 1 346.406 2.122 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccnc(Cl)c2)C1 ZINC000969546478 675095537 /nfs/dbraw/zinc/09/55/37/675095537.db2.gz JFVXNMPNCUEEOQ-NSHDSACASA-N -1 1 346.818 2.086 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CC12CCCC2 ZINC001020574913 675173215 /nfs/dbraw/zinc/17/32/15/675173215.db2.gz RGKSTNHMLFHUTJ-MJBXVCDLSA-N -1 1 343.427 2.087 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc(CCO)cc1 ZINC000890635286 675192955 /nfs/dbraw/zinc/19/29/55/675192955.db2.gz CLOZUGYOWSDVFY-UHFFFAOYSA-N -1 1 329.400 2.079 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc(F)c(F)c2)o1 ZINC000050070370 676215240 /nfs/dbraw/zinc/21/52/40/676215240.db2.gz QNJMUPIWOWGECP-MRVPVSSYSA-N -1 1 345.323 2.384 20 0 EEADMM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)nc1F)c1nccs1 ZINC000866851803 675373137 /nfs/dbraw/zinc/37/31/37/675373137.db2.gz AWTFAEKIOWNNPX-LBPRGKRZSA-N -1 1 333.385 2.420 20 0 EEADMM CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970161902 675603169 /nfs/dbraw/zinc/60/31/69/675603169.db2.gz SZLCSDYZNYXQLL-LSDHHAIUSA-N -1 1 349.479 2.197 20 0 EEADMM COCc1nc(N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(=O)[n-]1 ZINC000891573367 676703944 /nfs/dbraw/zinc/70/39/44/676703944.db2.gz CUFQDTSYOKYRQM-LBPRGKRZSA-N -1 1 340.387 2.107 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cncc(Br)c1 ZINC000891630907 676737710 /nfs/dbraw/zinc/73/77/10/676737710.db2.gz LYRNANFKIOELAG-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM CC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ncccc4[O-])[C@@H]3C2)CCCC1 ZINC000971902548 677795160 /nfs/dbraw/zinc/79/51/60/677795160.db2.gz PVGBKPQTNGVEBW-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1cc(Cl)cnc1Cl ZINC000866859171 677916479 /nfs/dbraw/zinc/91/64/79/677916479.db2.gz NOIHVUYEGUTGGY-WCBMZHEXSA-N -1 1 339.244 2.218 20 0 EEADMM CN(C(=O)C1CC2(CCC2)C1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217129 681701784 /nfs/dbraw/zinc/70/17/84/681701784.db2.gz RGLPSLANUQPBHT-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](C2OCCO2)C1 ZINC000927999258 681791889 /nfs/dbraw/zinc/79/18/89/681791889.db2.gz PBDNZEXSDLKXFU-VIFPVBQESA-N -1 1 331.290 2.246 20 0 EEADMM COCc1nc(NC[C@H](O)c2ccc(OC(C)C)cc2)cc(=O)[n-]1 ZINC000892568866 681803826 /nfs/dbraw/zinc/80/38/26/681803826.db2.gz NLCAKEJRAHCWLW-AWEZNQCLSA-N -1 1 333.388 2.261 20 0 EEADMM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC000311014177 682066076 /nfs/dbraw/zinc/06/60/76/682066076.db2.gz PSYFYCDBPNLPLB-UHFFFAOYSA-N -1 1 328.191 2.348 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC001025171188 682146878 /nfs/dbraw/zinc/14/68/78/682146878.db2.gz JLQJAMRORWEKNI-UONOGXRCSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1cc(C)cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000973196997 682294295 /nfs/dbraw/zinc/29/42/95/682294295.db2.gz JQBUPNLLSVVZMU-SHTZXODSSA-N -1 1 339.395 2.095 20 0 EEADMM COCc1nc(N2CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000894340387 682547918 /nfs/dbraw/zinc/54/79/18/682547918.db2.gz JQWTUDLSBZWPBD-VXGBXAGGSA-N -1 1 337.420 2.133 20 0 EEADMM Cc1cnc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)o1 ZINC001025396256 682673573 /nfs/dbraw/zinc/67/35/73/682673573.db2.gz GKAULDDZEUMLIT-ZIAGYGMSSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC000983460634 682697292 /nfs/dbraw/zinc/69/72/92/682697292.db2.gz KIQIUDAMYQFUJJ-CHWSQXEVSA-N -1 1 343.383 2.160 20 0 EEADMM CC1(C)C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973597707 682810295 /nfs/dbraw/zinc/81/02/95/682810295.db2.gz FNGQEEAUUWGVEI-WTUNAVPPSA-N -1 1 343.427 2.085 20 0 EEADMM O=C(CC1CCCCC1)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000973843755 683986597 /nfs/dbraw/zinc/98/65/97/683986597.db2.gz KSQSGUBUHAAVNQ-OKILXGFUSA-N -1 1 331.416 2.135 20 0 EEADMM COCc1nc(N2CCC(O)(Cc3ccc(F)cc3)CC2)cc(=O)[n-]1 ZINC000893247231 684255902 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EEADMM CC1(C)CC[C@H](NC(=O)Cc2sc(N)nc2[O-])c2ccccc21 ZINC000079806616 1210712622 /nfs/dbraw/zinc/71/26/22/1210712622.db2.gz JGOPROSHCJJSKP-STQMWFEESA-N -1 1 331.441 2.262 20 0 EEADMM CC(C)c1ccc(CCCNC(=O)Cc2sc(N)nc2[O-])cc1 ZINC000080345935 1210865369 /nfs/dbraw/zinc/86/53/69/1210865369.db2.gz SLUSZOOTDXSNID-CQSZACIVSA-N -1 1 333.457 2.206 20 0 EEADMM CC[C@@H]1CN(C(=O)Cc2sc(N)nc2[O-])CC[C@@H]1c1ccccc1 ZINC000080450413 1210917076 /nfs/dbraw/zinc/91/70/76/1210917076.db2.gz KDOWPNAADNTTJI-VHDGCEQUSA-N -1 1 345.468 2.376 20 0 EEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1c(F)cccc1Cl ZINC000081448655 1211209977 /nfs/dbraw/zinc/20/99/77/1211209977.db2.gz FOGOYODCMCKWJH-HZGVNTEJSA-N -1 1 329.784 2.003 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)NCC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000952274640 1211322907 /nfs/dbraw/zinc/32/29/07/1211322907.db2.gz RUDJAVFPNWNGFN-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000952464686 1211435735 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EEADMM CC(C)=C(F)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C[C@@H]1C ZINC000955628561 1213220086 /nfs/dbraw/zinc/22/00/86/1213220086.db2.gz MHXDRFUTDLGQBG-RYUDHWBXSA-N -1 1 335.379 2.160 20 0 EEADMM Cc1cocc1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000955640861 1213229067 /nfs/dbraw/zinc/22/90/67/1213229067.db2.gz DVOPRGYGRJUCMF-CHWSQXEVSA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)CC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955649598 1213235439 /nfs/dbraw/zinc/23/54/39/1213235439.db2.gz IYBPZHRYMHHOMG-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM O=C(NC[C@@H]1CCCN1C(=O)[C@@H]1CC12CCCC2)c1ncccc1[O-] ZINC000956223911 1213626540 /nfs/dbraw/zinc/62/65/40/1213626540.db2.gz WFXPQQIATUGALD-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)c2cc(C)ccc2OC)[n-]1 ZINC000796343895 1213852925 /nfs/dbraw/zinc/85/29/25/1213852925.db2.gz GZTXYRAVLIWVIO-UHFFFAOYSA-N -1 1 331.324 2.158 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2nccn2-c2ccccc2)[n-]1 ZINC000796348338 1213867400 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2.088 20 0 EEADMM O=C(N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC2(CC2)C1 ZINC000965168558 1218937442 /nfs/dbraw/zinc/93/74/42/1218937442.db2.gz AGTPHZSTMSXRIA-AWEZNQCLSA-N -1 1 343.427 2.088 20 0 EEADMM CC1(C)CN(C(=O)c2ccco2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000967007869 1220193997 /nfs/dbraw/zinc/19/39/97/1220193997.db2.gz DGZQIBBQIWIJOG-AWEZNQCLSA-N -1 1 343.383 2.051 20 0 EEADMM CC1CC(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000967512767 1220584106 /nfs/dbraw/zinc/58/41/06/1220584106.db2.gz KVZUMZMFBYNIBS-YMAMQOFZSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000967524449 1220597155 /nfs/dbraw/zinc/59/71/55/1220597155.db2.gz IBVKNSDPAXRCTC-CDNLZTBQSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000967541292 1220612852 /nfs/dbraw/zinc/61/28/52/1220612852.db2.gz MKMYDUVCVSAOJN-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC000967542305 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CCO[C@H]1C[C@H](N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCC2 ZINC001351658128 1337834509 /nfs/dbraw/zinc/83/45/09/1337834509.db2.gz WFMBUEZPYOOFNO-QWRGUYRKSA-N -1 1 337.445 2.199 20 0 EEADMM COC(=Cc1ccccc1)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847079511 1337862955 /nfs/dbraw/zinc/86/29/55/1337862955.db2.gz LTOMAZZRUZVHPT-JFBXQDQPSA-N -1 1 329.356 2.169 20 0 EEADMM CO[C@@H]1CCN(Cc2cccc(O)c2Br)[C@@H](C(=O)[O-])C1 ZINC001610238728 1352192591 /nfs/dbraw/zinc/19/25/91/1352192591.db2.gz YOWMNBNMRUKECZ-GHMZBOCLSA-N -1 1 344.205 2.219 20 0 EEADMM COc1cccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1O ZINC001610356956 1352210102 /nfs/dbraw/zinc/21/01/02/1352210102.db2.gz RMWXATDZVOZEDH-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC001610388056 1352214756 /nfs/dbraw/zinc/21/47/56/1352214756.db2.gz BERQPRINWAKOGN-JTQLQIEISA-N -1 1 342.330 2.213 20 0 EEADMM Cc1cc(Br)c(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)s1 ZINC001610432015 1352221292 /nfs/dbraw/zinc/22/12/92/1352221292.db2.gz FCINIXUXFMKRGH-DTWKUNHWSA-N -1 1 334.235 2.086 20 0 EEADMM Cc1cccc(C)c1NC(=O)CCCN1CCOC[C@@H]1CC(=O)[O-] ZINC001610519495 1352237480 /nfs/dbraw/zinc/23/74/80/1352237480.db2.gz XXUYMDOBIKRSNS-HNNXBMFYSA-N -1 1 334.416 2.198 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC001610542893 1352241986 /nfs/dbraw/zinc/24/19/86/1352241986.db2.gz LWLTWNKYQCTCTA-LBPRGKRZSA-N -1 1 336.413 2.309 20 0 EEADMM Cc1sc(NC(=O)CN2C[C@H](C)N(C)C[C@@H]2C)c(C(=O)[O-])c1C ZINC001610592010 1352250622 /nfs/dbraw/zinc/25/06/22/1352250622.db2.gz QFQUZTLJIPXMMK-UWVGGRQHSA-N -1 1 339.461 2.026 20 0 EEADMM O=C(CCCC1CCCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001427766750 1339386442 /nfs/dbraw/zinc/38/64/42/1339386442.db2.gz GYTGIMIJANOGER-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM O=C([O-])[C@H]1CSCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC001610748337 1352268400 /nfs/dbraw/zinc/26/84/00/1352268400.db2.gz DZWBOGVIMDNDTG-MFKMUULPSA-N -1 1 349.374 2.488 20 0 EEADMM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1 ZINC001610752411 1352268893 /nfs/dbraw/zinc/26/88/93/1352268893.db2.gz UQESMCVVFTWUOL-BAQGIRSFSA-N -1 1 337.328 2.430 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001610765140 1352270985 /nfs/dbraw/zinc/27/09/85/1352270985.db2.gz IYPLKUHPHUJFDS-UONOGXRCSA-N -1 1 342.461 2.032 20 0 EEADMM O=C([O-])Cn1cc(CCN2CCC[C@H]2c2ccc(F)cc2F)nn1 ZINC001610799340 1352276924 /nfs/dbraw/zinc/27/69/24/1352276924.db2.gz FAFNNXRILMIXDM-HNNXBMFYSA-N -1 1 336.342 2.021 20 0 EEADMM O=C([O-])c1cccc(CN2CCN(CCc3ccccc3)CC2)n1 ZINC001610846249 1352284902 /nfs/dbraw/zinc/28/49/02/1352284902.db2.gz YQOCGOFFGIMUAE-UHFFFAOYSA-N -1 1 325.412 2.140 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001433017657 1341466981 /nfs/dbraw/zinc/46/69/81/1341466981.db2.gz UWICROWYPXFAPJ-LBPRGKRZSA-N -1 1 347.440 2.423 20 0 EEADMM CC(C)CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434138981 1341775850 /nfs/dbraw/zinc/77/58/50/1341775850.db2.gz KNIZLNPRBFPKTD-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@]1(NC(=O)C2(F)CCCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001434287186 1341818596 /nfs/dbraw/zinc/81/85/96/1341818596.db2.gz URYBEHMQTGPMQA-KRWDZBQOSA-N -1 1 349.406 2.180 20 0 EEADMM COc1ccc2c(c1)C[C@@H](C)C[C@H]2Nc1nc2[nH][n-]cc-2c(=O)n1 ZINC001553969318 1342388782 /nfs/dbraw/zinc/38/87/82/1342388782.db2.gz QDHOEBTVMKVBGJ-YMTOWFKASA-N -1 1 325.372 2.176 20 0 EEADMM CC1(C)CC[C@@H](CC(=O)NCc2ccc(-c3nn[n-]n3)s2)OC1 ZINC001575666377 1343851190 /nfs/dbraw/zinc/85/11/90/1343851190.db2.gz XYOOXHMBZVFRIJ-JTQLQIEISA-N -1 1 335.433 2.140 20 0 EEADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577202826 1344103793 /nfs/dbraw/zinc/10/37/93/1344103793.db2.gz LCVVKTOWGKCVRN-RQJHMYQMSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577202826 1344103798 /nfs/dbraw/zinc/10/37/98/1344103798.db2.gz LCVVKTOWGKCVRN-RQJHMYQMSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577202821 1344103917 /nfs/dbraw/zinc/10/39/17/1344103917.db2.gz LCVVKTOWGKCVRN-BQBZGAKWSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577202821 1344103924 /nfs/dbraw/zinc/10/39/24/1344103924.db2.gz LCVVKTOWGKCVRN-BQBZGAKWSA-N -1 1 343.844 2.082 20 0 EEADMM CCOC(=O)c1cccnc1SCc1nc(-c2nnn[n-]2)cs1 ZINC001578253240 1344255540 /nfs/dbraw/zinc/25/55/40/1344255540.db2.gz MSXQGISMRRWJCI-UHFFFAOYSA-N -1 1 348.413 2.187 20 0 EEADMM CCOC(=O)c1cccnc1SCc1nc(-c2nn[n-]n2)cs1 ZINC001578253240 1344255543 /nfs/dbraw/zinc/25/55/43/1344255543.db2.gz MSXQGISMRRWJCI-UHFFFAOYSA-N -1 1 348.413 2.187 20 0 EEADMM CN(C(=O)[C@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578847422 1344308399 /nfs/dbraw/zinc/30/83/99/1344308399.db2.gz ARNSFUGYPSUHJM-CXAGYDPISA-N -1 1 338.346 2.109 20 0 EEADMM CN(C(=O)[C@H]1C[C@@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578847422 1344308402 /nfs/dbraw/zinc/30/84/02/1344308402.db2.gz ARNSFUGYPSUHJM-CXAGYDPISA-N -1 1 338.346 2.109 20 0 EEADMM COC(=O)c1cc(Cl)cc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001579478428 1344386822 /nfs/dbraw/zinc/38/68/22/1344386822.db2.gz FYYKQYADQADCMU-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1cc(Cl)cc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001579478428 1344386827 /nfs/dbraw/zinc/38/68/27/1344386827.db2.gz FYYKQYADQADCMU-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COc1cccc(Cl)c1CNCc1cccc(-c2nn[n-]n2)n1 ZINC001580070225 1344463124 /nfs/dbraw/zinc/46/31/24/1344463124.db2.gz NPWORUQINHFFIO-UHFFFAOYSA-N -1 1 330.779 2.214 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001580553059 1344535402 /nfs/dbraw/zinc/53/54/02/1344535402.db2.gz XDDMBKQNFFHXFC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001580553059 1344535406 /nfs/dbraw/zinc/53/54/06/1344535406.db2.gz XDDMBKQNFFHXFC-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(O)CCCC(C)(C)CC2)n1 ZINC001580730003 1344554152 /nfs/dbraw/zinc/55/41/52/1344554152.db2.gz ZGGRECGKQXPETI-MRXNPFEDSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(O)CCCC(C)(C)CC2)n1 ZINC001580730003 1344554154 /nfs/dbraw/zinc/55/41/54/1344554154.db2.gz ZGGRECGKQXPETI-MRXNPFEDSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1ccc(OCCNc2cc(-c3nnn[n-]3)nc(C)n2)c(C)c1 ZINC001581210999 1344597999 /nfs/dbraw/zinc/59/79/99/1344597999.db2.gz OEXYFZMXEXIQFK-UHFFFAOYSA-N -1 1 325.376 2.073 20 0 EEADMM Cc1ccc(OCCNc2cc(-c3nn[n-]n3)nc(C)n2)c(C)c1 ZINC001581210999 1344598001 /nfs/dbraw/zinc/59/80/01/1344598001.db2.gz OEXYFZMXEXIQFK-UHFFFAOYSA-N -1 1 325.376 2.073 20 0 EEADMM Cc1cnc2c(c1)N(C(=O)c1cc(F)c(-c3nnn[n-]3)c(F)c1)CC2 ZINC001581320682 1344616682 /nfs/dbraw/zinc/61/66/82/1344616682.db2.gz LUKQHAHHOLYVAP-UHFFFAOYSA-N -1 1 342.309 2.051 20 0 EEADMM Cc1cnc2c(c1)N(C(=O)c1cc(F)c(-c3nn[n-]n3)c(F)c1)CC2 ZINC001581320682 1344616687 /nfs/dbraw/zinc/61/66/87/1344616687.db2.gz LUKQHAHHOLYVAP-UHFFFAOYSA-N -1 1 342.309 2.051 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)CCC2CCC2)c1-c1nn[n-]n1 ZINC001581716575 1344657551 /nfs/dbraw/zinc/65/75/51/1344657551.db2.gz SNHYTOUSTIEYEK-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581714789 1344658035 /nfs/dbraw/zinc/65/80/35/1344658035.db2.gz DCBZXDFZTGOHFO-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC=Cc2ccccc21 ZINC001582137666 1344705928 /nfs/dbraw/zinc/70/59/28/1344705928.db2.gz GVDOLJDPXACCND-UHFFFAOYSA-N -1 1 332.367 2.254 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC=Cc2ccccc21 ZINC001582137666 1344705931 /nfs/dbraw/zinc/70/59/31/1344705931.db2.gz GVDOLJDPXACCND-UHFFFAOYSA-N -1 1 332.367 2.254 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc2nccnc2cc1F ZINC001584800163 1348762970 /nfs/dbraw/zinc/76/29/70/1348762970.db2.gz JPQXKPCOIHQHBF-UHFFFAOYSA-N -1 1 339.330 2.396 20 0 EEADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001588734073 1348931442 /nfs/dbraw/zinc/93/14/42/1348931442.db2.gz RYJHKJFGDYRDSV-UHFFFAOYSA-N -1 1 327.369 2.311 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001588769910 1348932967 /nfs/dbraw/zinc/93/29/67/1348932967.db2.gz AFSGZYOSUQCNEM-BQYQJAHWSA-N -1 1 327.323 2.079 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001589229634 1348972744 /nfs/dbraw/zinc/97/27/44/1348972744.db2.gz PJCZFSOFDHGIAL-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1cccc(OCCNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001589229634 1348972750 /nfs/dbraw/zinc/97/27/50/1348972750.db2.gz PJCZFSOFDHGIAL-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)[C@](C)(Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589430530 1348990486 /nfs/dbraw/zinc/99/04/86/1348990486.db2.gz ZQPAVXHHTAVOCF-KRWDZBQOSA-N -1 1 339.403 2.191 20 0 EEADMM CC(C)[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589472651 1348993400 /nfs/dbraw/zinc/99/34/00/1348993400.db2.gz RFWPNBMVOPOCOB-ZDUSSCGKSA-N -1 1 328.401 2.450 20 0 EEADMM CC(C)[C@H]1N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001589517795 1348999118 /nfs/dbraw/zinc/99/91/18/1348999118.db2.gz CLXFLNZNFLZQKM-GFCCVEGCSA-N -1 1 347.448 2.043 20 0 EEADMM CC(C)[C@H]1N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001589517795 1348999120 /nfs/dbraw/zinc/99/91/20/1348999120.db2.gz CLXFLNZNFLZQKM-GFCCVEGCSA-N -1 1 347.448 2.043 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCS1 ZINC001589517067 1348999271 /nfs/dbraw/zinc/99/92/71/1348999271.db2.gz KUFKLSWVZFETFY-LBPRGKRZSA-N -1 1 335.408 2.219 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCS1 ZINC001589517067 1348999275 /nfs/dbraw/zinc/99/92/75/1348999275.db2.gz KUFKLSWVZFETFY-LBPRGKRZSA-N -1 1 335.408 2.219 20 0 EEADMM CC(C)CCCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001589600826 1349008306 /nfs/dbraw/zinc/00/83/06/1349008306.db2.gz YHXPKYZNHXDBBJ-UHFFFAOYSA-N -1 1 326.198 2.227 20 0 EEADMM CC(C)N(CC(=O)OC(C)(C)C)Cc1csc(-c2nn[n-]n2)c1 ZINC001589679245 1349020540 /nfs/dbraw/zinc/02/05/40/1349020540.db2.gz JVYNTNJFWFVSTL-UHFFFAOYSA-N -1 1 337.449 2.480 20 0 EEADMM C[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccn1-c1ccccc1 ZINC001589970487 1349085824 /nfs/dbraw/zinc/08/58/24/1349085824.db2.gz KKTWXNQHPNGLPX-LBPRGKRZSA-N -1 1 335.371 2.496 20 0 EEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccn1-c1ccccc1 ZINC001589970487 1349085826 /nfs/dbraw/zinc/08/58/26/1349085826.db2.gz KKTWXNQHPNGLPX-LBPRGKRZSA-N -1 1 335.371 2.496 20 0 EEADMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001590025938 1349113875 /nfs/dbraw/zinc/11/38/75/1349113875.db2.gz WORZHEAWZNDHDL-JTQLQIEISA-N -1 1 341.375 2.119 20 0 EEADMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001590025938 1349113878 /nfs/dbraw/zinc/11/38/78/1349113878.db2.gz WORZHEAWZNDHDL-JTQLQIEISA-N -1 1 341.375 2.119 20 0 EEADMM C[C@@H](c1ccccc1)n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001590048635 1349129334 /nfs/dbraw/zinc/12/93/34/1349129334.db2.gz BNBQBXDNWBXVBQ-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2ncncc2-c2nn[n-]n2)n1 ZINC001590048505 1349130245 /nfs/dbraw/zinc/13/02/45/1349130245.db2.gz AIPNJIFFIDZSIE-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C)C[C@]1(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590087670 1349146979 /nfs/dbraw/zinc/14/69/79/1349146979.db2.gz WPJXAEWZNQGNFI-SFHVURJKSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)C[C@]1(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590087670 1349146980 /nfs/dbraw/zinc/14/69/80/1349146980.db2.gz WPJXAEWZNQGNFI-SFHVURJKSA-N -1 1 334.383 2.317 20 0 EEADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590152278 1349175704 /nfs/dbraw/zinc/17/57/04/1349175704.db2.gz UYSCXOMEODTHFY-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590152278 1349175709 /nfs/dbraw/zinc/17/57/09/1349175709.db2.gz UYSCXOMEODTHFY-KRWDZBQOSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@H]1CC(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590186305 1349187892 /nfs/dbraw/zinc/18/78/92/1349187892.db2.gz CACVWZRQTHXUFA-RKDXNWHRSA-N -1 1 329.408 2.478 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@H]12 ZINC001590270238 1349240953 /nfs/dbraw/zinc/24/09/53/1349240953.db2.gz QQZHAPIQQNAQIP-JMSVASOKSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@H]12 ZINC001590270238 1349240960 /nfs/dbraw/zinc/24/09/60/1349240960.db2.gz QQZHAPIQQNAQIP-JMSVASOKSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)CC2(CCCCC2)O1 ZINC001590299718 1349252559 /nfs/dbraw/zinc/25/25/59/1349252559.db2.gz HGHGQCMKMUQAPH-NSHDSACASA-N -1 1 347.444 2.492 20 0 EEADMM C[C@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)CC2(CCCCC2)O1 ZINC001590299718 1349252562 /nfs/dbraw/zinc/25/25/62/1349252562.db2.gz HGHGQCMKMUQAPH-NSHDSACASA-N -1 1 347.444 2.492 20 0 EEADMM CCC(CC)NC(=O)[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001590436011 1349323218 /nfs/dbraw/zinc/32/32/18/1349323218.db2.gz YHCYFJXTQYTXBQ-MRVPVSSYSA-N -1 1 340.478 2.250 20 0 EEADMM CCC(CC)NC(=O)[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001590436011 1349323224 /nfs/dbraw/zinc/32/32/24/1349323224.db2.gz YHCYFJXTQYTXBQ-MRVPVSSYSA-N -1 1 340.478 2.250 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001590451114 1349332423 /nfs/dbraw/zinc/33/24/23/1349332423.db2.gz CUCXOOUBYVGEHJ-LLVKDONJSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cc(F)ccc1OC ZINC001590459754 1349336505 /nfs/dbraw/zinc/33/65/05/1349336505.db2.gz PDHRHRYTURHPIU-LBPRGKRZSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cc(F)ccc1OC ZINC001590459754 1349336512 /nfs/dbraw/zinc/33/65/12/1349336512.db2.gz PDHRHRYTURHPIU-LBPRGKRZSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(C)cc1 ZINC001590468465 1349343274 /nfs/dbraw/zinc/34/32/74/1349343274.db2.gz GAXVMHSSZZDSDK-LBPRGKRZSA-N -1 1 347.400 2.198 20 0 EEADMM CCC[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CCC1 ZINC001590558510 1349370958 /nfs/dbraw/zinc/37/09/58/1349370958.db2.gz DFWCEUZQDZPZHJ-SNVBAGLBSA-N -1 1 341.462 2.175 20 0 EEADMM CCCCn1ncc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001590616496 1349377465 /nfs/dbraw/zinc/37/74/65/1349377465.db2.gz XCJJLXOGLZCZHS-UHFFFAOYSA-N -1 1 341.379 2.211 20 0 EEADMM CCCCn1ncc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001590616496 1349377472 /nfs/dbraw/zinc/37/74/72/1349377472.db2.gz XCJJLXOGLZCZHS-UHFFFAOYSA-N -1 1 341.379 2.211 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2ccc(F)c(-c3nn[nH]n3)c2)n1 ZINC001590878346 1349408350 /nfs/dbraw/zinc/40/83/50/1349408350.db2.gz ROORFRRVJWMFPQ-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM CCc1nc(NCc2cc(C)cc(Cl)n2)cc(-c2nnn[n-]2)n1 ZINC001590923102 1349414441 /nfs/dbraw/zinc/41/44/41/1349414441.db2.gz QDZDYVUZTXOMJO-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM CCc1nc(NCc2cc(C)cc(Cl)n2)cc(-c2nn[n-]n2)n1 ZINC001590923102 1349414446 /nfs/dbraw/zinc/41/44/46/1349414446.db2.gz QDZDYVUZTXOMJO-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM CCc1nn(C[C@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929563 1349415804 /nfs/dbraw/zinc/41/58/04/1349415804.db2.gz DIWADUJYISIJSI-NWDGAFQWSA-N -1 1 330.436 2.375 20 0 EEADMM CN(C(=O)c1cccc(N2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590994941 1349428839 /nfs/dbraw/zinc/42/88/39/1349428839.db2.gz KLJLOOXJLLKVMW-UHFFFAOYSA-N -1 1 349.398 2.139 20 0 EEADMM CN(C(=O)c1cccc(N2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994941 1349428842 /nfs/dbraw/zinc/42/88/42/1349428842.db2.gz KLJLOOXJLLKVMW-UHFFFAOYSA-N -1 1 349.398 2.139 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]2C)c1-c1nn[n-]n1 ZINC001591718501 1349535084 /nfs/dbraw/zinc/53/50/84/1349535084.db2.gz ZRNZJGGBFDCREQ-MRVPVSSYSA-N -1 1 330.417 2.095 20 0 EEADMM Cc1ccc2c(n1)N(C(=O)c1csc(-c3nn[n-]n3)c1)CCC2 ZINC001592203401 1349606979 /nfs/dbraw/zinc/60/69/79/1349606979.db2.gz ZMYFHZLOYULJML-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1cccc(C)c1NCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592227584 1349611776 /nfs/dbraw/zinc/61/17/76/1349611776.db2.gz JRZDVXFUUPZFAJ-UHFFFAOYSA-N -1 1 342.428 2.273 20 0 EEADMM Cc1csc([C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001592313002 1349619549 /nfs/dbraw/zinc/61/95/49/1349619549.db2.gz NHCVWNLYRMWXKY-NSHDSACASA-N -1 1 330.373 2.106 20 0 EEADMM Cc1csc([C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001592313002 1349619551 /nfs/dbraw/zinc/61/95/51/1349619551.db2.gz NHCVWNLYRMWXKY-NSHDSACASA-N -1 1 330.373 2.106 20 0 EEADMM Cc1csc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001592315575 1349620789 /nfs/dbraw/zinc/62/07/89/1349620789.db2.gz OSOJMBXTIZHLOD-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1[nH]nc(NC(=O)CCSc2ccccc2F)c1-c1nn[n-]n1 ZINC001592328733 1349622407 /nfs/dbraw/zinc/62/24/07/1349622407.db2.gz WIZVRFKNQNXEHU-UHFFFAOYSA-N -1 1 347.379 2.158 20 0 EEADMM Cc1nsc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001592488583 1349636722 /nfs/dbraw/zinc/63/67/22/1349636722.db2.gz JGOSGKJIBDHHRZ-RQJHMYQMSA-N -1 1 334.327 2.153 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccc(Cl)cc1 ZINC001592501190 1349637993 /nfs/dbraw/zinc/63/79/93/1349637993.db2.gz LKPFWOVYONEBIX-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccc(Cl)cc1 ZINC001592501190 1349637994 /nfs/dbraw/zinc/63/79/94/1349637994.db2.gz LKPFWOVYONEBIX-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)C(=O)C1CCCCC1 ZINC001592502402 1349638035 /nfs/dbraw/zinc/63/80/35/1349638035.db2.gz SDTBEYSXILJMTE-SNVBAGLBSA-N -1 1 332.360 2.463 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)C(=O)C1CCCCC1 ZINC001592502402 1349638036 /nfs/dbraw/zinc/63/80/36/1349638036.db2.gz SDTBEYSXILJMTE-SNVBAGLBSA-N -1 1 332.360 2.463 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCO2 ZINC001592502193 1349638087 /nfs/dbraw/zinc/63/80/87/1349638087.db2.gz ZMHFRFZMEWICBY-SECBINFHSA-N -1 1 339.355 2.194 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCO2 ZINC001592502193 1349638088 /nfs/dbraw/zinc/63/80/88/1349638088.db2.gz ZMHFRFZMEWICBY-SECBINFHSA-N -1 1 339.355 2.194 20 0 EEADMM Cc1oc(NC(=O)CN(C)c2ccsc2)c(-c2nn[n-]n2)c1C ZINC001592509424 1349643540 /nfs/dbraw/zinc/64/35/40/1349643540.db2.gz QOJOMUNKDVFZAB-UHFFFAOYSA-N -1 1 332.389 2.213 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC001592558690 1349657888 /nfs/dbraw/zinc/65/78/88/1349657888.db2.gz GRJUTGFQLPFAQO-IJLUTSLNSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC001592558690 1349657890 /nfs/dbraw/zinc/65/78/90/1349657890.db2.gz GRJUTGFQLPFAQO-IJLUTSLNSA-N -1 1 329.408 2.145 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001592621918 1349676316 /nfs/dbraw/zinc/67/63/16/1349676316.db2.gz FSCFJAXAHNBFQQ-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001592621918 1349676321 /nfs/dbraw/zinc/67/63/21/1349676321.db2.gz FSCFJAXAHNBFQQ-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)CCO2)cc1 ZINC001592647387 1349692806 /nfs/dbraw/zinc/69/28/06/1349692806.db2.gz RHKOGDNILDTVSI-JSGCOSHPSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)CCO2)cc1 ZINC001592647387 1349692808 /nfs/dbraw/zinc/69/28/08/1349692808.db2.gz RHKOGDNILDTVSI-JSGCOSHPSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(CC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001592654418 1349698187 /nfs/dbraw/zinc/69/81/87/1349698187.db2.gz JRTSHPLKVDMBKJ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1cccc(CC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001592654418 1349698191 /nfs/dbraw/zinc/69/81/91/1349698191.db2.gz JRTSHPLKVDMBKJ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966359 1349730447 /nfs/dbraw/zinc/73/04/47/1349730447.db2.gz YRKFVLQROPHZKH-CXAGYDPISA-N -1 1 341.321 2.373 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966359 1349730452 /nfs/dbraw/zinc/73/04/52/1349730452.db2.gz YRKFVLQROPHZKH-CXAGYDPISA-N -1 1 341.321 2.373 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2cc[nH]c2c1 ZINC001593196286 1349745029 /nfs/dbraw/zinc/74/50/29/1349745029.db2.gz LUFQYRJSVJUZAA-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(Nc1cc(Cl)cnc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001593205633 1349746276 /nfs/dbraw/zinc/74/62/76/1349746276.db2.gz ABTOSTUOJCXYMG-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc(Cl)cnc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001593205633 1349746279 /nfs/dbraw/zinc/74/62/79/1349746279.db2.gz ABTOSTUOJCXYMG-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001593243911 1349748413 /nfs/dbraw/zinc/74/84/13/1349748413.db2.gz RQMFDIXEPPVKDI-IUCAKERBSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001593243911 1349748416 /nfs/dbraw/zinc/74/84/16/1349748416.db2.gz RQMFDIXEPPVKDI-IUCAKERBSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1ccc(-c2nnn[n-]2)s1 ZINC001593285035 1349762972 /nfs/dbraw/zinc/76/29/72/1349762972.db2.gz QSPXSCJUZMOWAN-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1ccc(-c2nn[n-]n2)s1 ZINC001593285035 1349762975 /nfs/dbraw/zinc/76/29/75/1349762975.db2.gz QSPXSCJUZMOWAN-JTQLQIEISA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001593306597 1349775102 /nfs/dbraw/zinc/77/51/02/1349775102.db2.gz BHTGDBAZPVZCPX-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001593306597 1349775105 /nfs/dbraw/zinc/77/51/05/1349775105.db2.gz BHTGDBAZPVZCPX-UHFFFAOYSA-N -1 1 331.357 2.152 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@@]2(CC2(F)F)C1 ZINC001593314964 1349778622 /nfs/dbraw/zinc/77/86/22/1349778622.db2.gz FMVLWKIMRZNJAJ-OAHLLOKOSA-N -1 1 344.325 2.219 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(c2ccc(F)cn2)CC1 ZINC001593340398 1349784533 /nfs/dbraw/zinc/78/45/33/1349784533.db2.gz KGZZRNVBLZVOAL-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(c2ccc(F)cn2)CC1 ZINC001593340398 1349784535 /nfs/dbraw/zinc/78/45/35/1349784535.db2.gz KGZZRNVBLZVOAL-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=Cc1cc(Oc2nnccc2-c2nnn[n-]2)ccc1Br ZINC001593416385 1349798743 /nfs/dbraw/zinc/79/87/43/1349798743.db2.gz YIDIISUJVNILPK-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cc(Oc2nnccc2-c2nn[n-]n2)ccc1Br ZINC001593416385 1349798748 /nfs/dbraw/zinc/79/87/48/1349798748.db2.gz YIDIISUJVNILPK-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(-c2nn[nH]n2)o1 ZINC001593445625 1349800948 /nfs/dbraw/zinc/80/09/48/1349800948.db2.gz DNAOVXMKCRXLSU-UHFFFAOYSA-N -1 1 341.352 2.414 20 0 EEADMM O[C@H](CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC001593507777 1349823819 /nfs/dbraw/zinc/82/38/19/1349823819.db2.gz UZWZVCZVYCFBME-MRXNPFEDSA-N -1 1 338.371 2.237 20 0 EEADMM O[C@H](CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC001593507777 1349823825 /nfs/dbraw/zinc/82/38/25/1349823825.db2.gz UZWZVCZVYCFBME-MRXNPFEDSA-N -1 1 338.371 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593573127 1349856716 /nfs/dbraw/zinc/85/67/16/1349856716.db2.gz MFYZDMOJJXHPIL-RHSMWYFYSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593573127 1349856720 /nfs/dbraw/zinc/85/67/20/1349856720.db2.gz MFYZDMOJJXHPIL-RHSMWYFYSA-N -1 1 336.399 2.263 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(Br)c2O)CC[C@H]1C(=O)[O-] ZINC001599925035 1349948867 /nfs/dbraw/zinc/94/88/67/1349948867.db2.gz BBUASTHHLCMTKY-DTWKUNHWSA-N -1 1 342.189 2.338 20 0 EEADMM Cc1cc(-c2noc(CNC3(CC(=O)[O-])CCOCC3)n2)ccc1F ZINC001600062159 1349963505 /nfs/dbraw/zinc/96/35/05/1349963505.db2.gz JTGTTZBCRPYLBK-UHFFFAOYSA-N -1 1 349.362 2.298 20 0 EEADMM Cc1cc(CCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)s1 ZINC001600188698 1349988809 /nfs/dbraw/zinc/98/88/09/1349988809.db2.gz SMNVDLAXMBMUGF-AWEZNQCLSA-N -1 1 335.429 2.223 20 0 EEADMM Cc1cc(Cl)cc(C)c1S(=O)(=O)Nc1c(C(=O)[O-])cnn1C ZINC001600219179 1349995640 /nfs/dbraw/zinc/99/56/40/1349995640.db2.gz UXZRMMYDBNINFO-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM Cc1ccc(C(=O)NCCNCc2ccc(C(=O)[O-])cc2F)cc1F ZINC001600340510 1350024024 /nfs/dbraw/zinc/02/40/24/1350024024.db2.gz GZRYCMHXSVLXIO-UHFFFAOYSA-N -1 1 348.349 2.491 20 0 EEADMM Cc1ccc(C=Cc2n[nH]c(SC[C@H]3CC(C(=O)[O-])=NO3)n2)o1 ZINC001600397783 1350040310 /nfs/dbraw/zinc/04/03/10/1350040310.db2.gz UHORWFXNRMAWAN-UMCURTJPSA-N -1 1 334.357 2.198 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN3CCC4(C[C@H]4C(=O)[O-])CC3)C2)cc1 ZINC001600398304 1350040333 /nfs/dbraw/zinc/04/03/33/1350040333.db2.gz QUWROZOMJDLGMZ-SJORKVTESA-N -1 1 342.439 2.455 20 0 EEADMM Cc1ccc(CC2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)cc1C ZINC001600404360 1350041802 /nfs/dbraw/zinc/04/18/02/1350041802.db2.gz MJPLSEHKINHRKD-OAHLLOKOSA-N -1 1 332.444 2.147 20 0 EEADMM 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/nfs/dbraw/zinc/90/12/49/1350901249.db2.gz RWOHTBPEEVHVHA-UHFFFAOYSA-N -1 1 344.400 2.215 20 0 EEADMM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC001604348716 1350921116 /nfs/dbraw/zinc/92/11/16/1350921116.db2.gz BABMTYUXQBNKII-VIFPVBQESA-N -1 1 331.821 2.094 20 0 EEADMM C[C@H](Oc1ccccc1CN1CCc2cc[nH]c(=O)c2C1)C(=O)[O-] ZINC001604442722 1350938828 /nfs/dbraw/zinc/93/88/28/1350938828.db2.gz IPKXQNGYDZQZFG-LBPRGKRZSA-N -1 1 328.368 2.197 20 0 EEADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001604475253 1350945560 /nfs/dbraw/zinc/94/55/60/1350945560.db2.gz BSMMIAOJKRDZTE-LBPRGKRZSA-N -1 1 343.383 2.328 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001604527665 1350955484 /nfs/dbraw/zinc/95/54/84/1350955484.db2.gz AJTXTKBFZGZAAQ-UHFFFAOYSA-N -1 1 336.398 2.258 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001604527665 1350955485 /nfs/dbraw/zinc/95/54/85/1350955485.db2.gz AJTXTKBFZGZAAQ-UHFFFAOYSA-N -1 1 336.398 2.258 20 0 EEADMM CCn1ccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1C ZINC001604608296 1350968884 /nfs/dbraw/zinc/96/88/84/1350968884.db2.gz FQCDVUKDNNBANQ-UHFFFAOYSA-N -1 1 346.341 2.205 20 0 EEADMM CCn1ccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1C ZINC001604608296 1350968888 /nfs/dbraw/zinc/96/88/88/1350968888.db2.gz FQCDVUKDNNBANQ-UHFFFAOYSA-N -1 1 346.341 2.205 20 0 EEADMM C[C@@H]1CCN(CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)C1 ZINC001604753461 1350996978 /nfs/dbraw/zinc/99/69/78/1350996978.db2.gz XNKRXWAHDJRCLM-TYILLQQXSA-N -1 1 330.428 2.322 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(F)c(F)cc1Cl ZINC001604793005 1351005652 /nfs/dbraw/zinc/00/56/52/1351005652.db2.gz MIBKZKCTZNWGHE-VIFPVBQESA-N -1 1 346.761 2.239 20 0 EEADMM COC(=O)[C@@H](CC1CCCCC1)OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604904694 1351029496 /nfs/dbraw/zinc/02/94/96/1351029496.db2.gz KFPCMRCYEHJYNV-CYBMUJFWSA-N -1 1 348.359 2.129 20 0 EEADMM COC(=O)c1sccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001604991836 1351047584 /nfs/dbraw/zinc/04/75/84/1351047584.db2.gz ZRSWLAJZTUASCG-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COC(=O)c1sccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001604991836 1351047592 /nfs/dbraw/zinc/04/75/92/1351047592.db2.gz ZRSWLAJZTUASCG-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM CO[C@@H](CC(C)C)Cn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001605006455 1351051235 /nfs/dbraw/zinc/05/12/35/1351051235.db2.gz FHFXRGGPCSYGCH-LBPRGKRZSA-N -1 1 327.388 2.243 20 0 EEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605014582 1351054704 /nfs/dbraw/zinc/05/47/04/1351054704.db2.gz VRMVVPXLVYJCED-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605014582 1351054708 /nfs/dbraw/zinc/05/47/08/1351054708.db2.gz VRMVVPXLVYJCED-YMTOWFKASA-N -1 1 345.794 2.498 20 0 EEADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccc12 ZINC001605259530 1351117690 /nfs/dbraw/zinc/11/76/90/1351117690.db2.gz YGNLLFQBZIKQES-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccc12 ZINC001605259530 1351117693 /nfs/dbraw/zinc/11/76/93/1351117693.db2.gz YGNLLFQBZIKQES-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccc2c(c1)CCN(c1snc(C)c1-c1nn[n-]n1)C2 ZINC001605308987 1351132505 /nfs/dbraw/zinc/13/25/05/1351132505.db2.gz WBTSPFKPRVGUAX-UHFFFAOYSA-N -1 1 328.401 2.203 20 0 EEADMM CSc1nn(-c2ccccc2)c(NC(=O)C(C)C)c1-c1nnn[n-]1 ZINC001605393047 1351152472 /nfs/dbraw/zinc/15/24/72/1351152472.db2.gz XLBSYORNDVZQNQ-UHFFFAOYSA-N -1 1 343.416 2.369 20 0 EEADMM CSc1nn(-c2ccccc2)c(NC(=O)C(C)C)c1-c1nn[n-]n1 ZINC001605393047 1351152475 /nfs/dbraw/zinc/15/24/75/1351152475.db2.gz XLBSYORNDVZQNQ-UHFFFAOYSA-N -1 1 343.416 2.369 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC[C@H](C)c2ccccc2)nn1C ZINC001605466134 1351163917 /nfs/dbraw/zinc/16/39/17/1351163917.db2.gz VGZDIMIOOZHGJF-NSHDSACASA-N -1 1 339.403 2.431 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC[C@H](C)c2ccccc2)nn1C ZINC001605466134 1351163920 /nfs/dbraw/zinc/16/39/20/1351163920.db2.gz VGZDIMIOOZHGJF-NSHDSACASA-N -1 1 339.403 2.431 20 0 EEADMM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c(Cl)cc1F ZINC001605588677 1351195819 /nfs/dbraw/zinc/19/58/19/1351195819.db2.gz JESRCNDFGPJOBB-UHFFFAOYSA-N -1 1 347.737 2.012 20 0 EEADMM CCc1c(NC(=O)c2ccc(C(=O)[O-])n2C)[nH]nc1-c1ccncc1 ZINC001605777835 1351222759 /nfs/dbraw/zinc/22/27/59/1351222759.db2.gz QPOIAMWXCRXZAC-UHFFFAOYSA-N -1 1 339.355 2.323 20 0 EEADMM Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(N)c1Cl ZINC001605823828 1351228797 /nfs/dbraw/zinc/22/87/97/1351228797.db2.gz NUXGONXWPSCEMM-UHFFFAOYSA-N -1 1 344.762 2.369 20 0 EEADMM Cc1ccc(COCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC001605859141 1351239178 /nfs/dbraw/zinc/23/91/78/1351239178.db2.gz MOABEZGSMDIKFG-UHFFFAOYSA-N -1 1 339.355 2.036 20 0 EEADMM CCc1ncc(CN[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC001605861342 1351239956 /nfs/dbraw/zinc/23/99/56/1351239956.db2.gz OHLMRKOBPAJFDG-LLVKDONJSA-N -1 1 331.372 2.442 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CSC(C)(C)C ZINC001605890067 1351247344 /nfs/dbraw/zinc/24/73/44/1351247344.db2.gz VALLQFIVQHMEBI-UHFFFAOYSA-N -1 1 330.417 2.374 20 0 EEADMM Cc1cccc([C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001605907589 1351251271 /nfs/dbraw/zinc/25/12/71/1351251271.db2.gz KXCLKZIWGGFOJN-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1cccc([C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001605907589 1351251273 /nfs/dbraw/zinc/25/12/73/1351251273.db2.gz KXCLKZIWGGFOJN-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1nsc(NC2CC2)c1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001606156330 1351279304 /nfs/dbraw/zinc/27/93/04/1351279304.db2.gz XPQYPAMZUHLSSX-UHFFFAOYSA-N -1 1 346.372 2.156 20 0 EEADMM Cc1nsc(NC2CC2)c1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001606156330 1351279306 /nfs/dbraw/zinc/27/93/06/1351279306.db2.gz XPQYPAMZUHLSSX-UHFFFAOYSA-N -1 1 346.372 2.156 20 0 EEADMM O=C(NCCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606767053 1351354233 /nfs/dbraw/zinc/35/42/33/1351354233.db2.gz ZEARLRKVCUVBKF-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM O=C(NCCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606767053 1351354236 /nfs/dbraw/zinc/35/42/36/1351354236.db2.gz ZEARLRKVCUVBKF-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1coc(-c2ccccc2OC)n1 ZINC001606785942 1351356542 /nfs/dbraw/zinc/35/65/42/1351356542.db2.gz CGIWESVVUYKICN-KRWDZBQOSA-N -1 1 334.372 2.320 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2F)c1ccsc1-c1nnn[n-]1 ZINC001606871026 1351368421 /nfs/dbraw/zinc/36/84/21/1351368421.db2.gz HBGRBRZSCNNDHD-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2c1cccc2F)c1ccsc1-c1nn[n-]n1 ZINC001606871026 1351368423 /nfs/dbraw/zinc/36/84/23/1351368423.db2.gz HBGRBRZSCNNDHD-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(Nc1nc2c(s1)CCCC2=O)c1ccc(-c2nnn[n-]2)s1 ZINC001606949221 1351382445 /nfs/dbraw/zinc/38/24/45/1351382445.db2.gz DNPHSLCTKHAAGP-UHFFFAOYSA-N -1 1 346.397 2.156 20 0 EEADMM O=C(Nc1nc2c(s1)CCCC2=O)c1ccc(-c2nn[n-]n2)s1 ZINC001606949221 1351382447 /nfs/dbraw/zinc/38/24/47/1351382447.db2.gz DNPHSLCTKHAAGP-UHFFFAOYSA-N -1 1 346.397 2.156 20 0 EEADMM O=C(Nc1nnc(-c2ccccc2)s1)c1coc(-c2nn[nH]n2)c1 ZINC001606954005 1351383797 /nfs/dbraw/zinc/38/37/97/1351383797.db2.gz CKXDMZNMFKIVSK-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nnc(-c2ccccc2)s1)c1coc(-c2nn[n-]n2)c1 ZINC001606954005 1351383800 /nfs/dbraw/zinc/38/38/00/1351383800.db2.gz CKXDMZNMFKIVSK-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(Cc2ccc(O)cc2)CC1 ZINC001606979333 1351391010 /nfs/dbraw/zinc/39/10/10/1351391010.db2.gz UYVIVYDLXFBVLT-UHFFFAOYSA-N -1 1 340.339 2.231 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(Cc2ccc(O)cc2)CC1 ZINC001606979333 1351391012 /nfs/dbraw/zinc/39/10/12/1351391012.db2.gz UYVIVYDLXFBVLT-UHFFFAOYSA-N -1 1 340.339 2.231 20 0 EEADMM O=C(O[C@H]1CCOc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606988594 1351393631 /nfs/dbraw/zinc/39/36/31/1351393631.db2.gz UMCAQDITNQGNNM-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=C(O[C@H]1CCOc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606988594 1351393634 /nfs/dbraw/zinc/39/36/34/1351393634.db2.gz UMCAQDITNQGNNM-ZDUSSCGKSA-N -1 1 341.302 2.081 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(Cc1cccc(F)c1)C1CC1 ZINC001607017363 1351398355 /nfs/dbraw/zinc/39/83/55/1351398355.db2.gz RPQQPTNZHFXNBJ-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(Cc1cccc(F)c1)C1CC1 ZINC001607017363 1351398358 /nfs/dbraw/zinc/39/83/58/1351398358.db2.gz RPQQPTNZHFXNBJ-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM c1ccc(C[C@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC001607128266 1351430959 /nfs/dbraw/zinc/43/09/59/1351430959.db2.gz CBUQMLSWIPKRHV-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC001607128266 1351430962 /nfs/dbraw/zinc/43/09/62/1351430962.db2.gz CBUQMLSWIPKRHV-HNNXBMFYSA-N -1 1 344.382 2.448 20 0 EEADMM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@H]1CCN1C(C)(C)C)CC2 ZINC001607211890 1351449738 /nfs/dbraw/zinc/44/97/38/1351449738.db2.gz GZZYUHMGKXMHDM-HNNXBMFYSA-N -1 1 346.427 2.151 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnc1C(F)F ZINC001607696763 1351541543 /nfs/dbraw/zinc/54/15/43/1351541543.db2.gz INSGUPJIJVQUEW-UHFFFAOYSA-N -1 1 345.327 2.165 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC001607739988 1351549552 /nfs/dbraw/zinc/54/95/52/1351549552.db2.gz KHAFEJGRLUPFMT-ZDUSSCGKSA-N -1 1 333.432 2.046 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN(C)C(C)(C)C1 ZINC001607739988 1351549557 /nfs/dbraw/zinc/54/95/57/1351549557.db2.gz KHAFEJGRLUPFMT-ZDUSSCGKSA-N -1 1 333.432 2.046 20 0 EEADMM Cc1cccn2cc(CN3CC[C@H](C(=O)[O-])C[C@@H]3[C@@H]3CCCO3)nc12 ZINC001607887959 1351579879 /nfs/dbraw/zinc/57/98/79/1351579879.db2.gz YPVLWLZWLNNXJP-UAGQMJEPSA-N -1 1 343.427 2.487 20 0 EEADMM Cc1nc(Cl)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001607960353 1351593151 /nfs/dbraw/zinc/59/31/51/1351593151.db2.gz BWVKMDLHESXOKY-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC001608159219 1351637124 /nfs/dbraw/zinc/63/71/24/1351637124.db2.gz JCAXAVGIHAOMSL-LLVKDONJSA-N -1 1 338.408 2.206 20 0 EEADMM Cn1ncc(NC(=O)OC(C)(C)C)c1CN1CCC[C@@H]1CC(=O)[O-] ZINC001608159219 1351637127 /nfs/dbraw/zinc/63/71/27/1351637127.db2.gz JCAXAVGIHAOMSL-LLVKDONJSA-N -1 1 338.408 2.206 20 0 EEADMM NC(=O)Cc1cccc2c1CCN(Cc1cc(C(=O)[O-])cs1)C2 ZINC001608236689 1351653880 /nfs/dbraw/zinc/65/38/80/1351653880.db2.gz BSCNEPRSKWDOLT-UHFFFAOYSA-N -1 1 330.409 2.032 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(CN2CCCC2)o1)c1ccsc1 ZINC001608392071 1351685462 /nfs/dbraw/zinc/68/54/62/1351685462.db2.gz XRYRCCSQTJDJOT-AWEZNQCLSA-N -1 1 334.397 2.493 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1cccc(COCc2ccco2)c1 ZINC001624953728 1352435639 /nfs/dbraw/zinc/43/56/39/1352435639.db2.gz NZADXULMVWGHES-UHFFFAOYSA-N -1 1 341.371 2.471 20 0 EEADMM CCC(CC)(NC(=O)Cc1c[nH]c2c1cccc2C)c1nn[n-]n1 ZINC001626904541 1352476952 /nfs/dbraw/zinc/47/69/52/1352476952.db2.gz ROGGBFBLUWHQRP-UHFFFAOYSA-N -1 1 326.404 2.364 20 0 EEADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc([O-])cn1 ZINC001630020490 1352561972 /nfs/dbraw/zinc/56/19/72/1352561972.db2.gz XQBTUDGUYWXZGX-UHFFFAOYSA-N -1 1 326.331 2.085 20 0 EEADMM Cc1ccc(Oc2ccc(NC(=O)CCCc3nn[n-]n3)cc2)nn1 ZINC001633915276 1352620239 /nfs/dbraw/zinc/62/02/39/1352620239.db2.gz OAMJYCSFUDNECZ-UHFFFAOYSA-N -1 1 339.359 2.052 20 0 EEADMM O=C(Nc1cccc2nn[n-]c21)c1cccn(Cc2ccccc2)c1=O ZINC001637131743 1352672866 /nfs/dbraw/zinc/67/28/66/1352672866.db2.gz IXDVWFCPSOJTHJ-UHFFFAOYSA-N -1 1 345.362 2.420 20 0 EEADMM COc1ccccc1-c1nnc([N-]C(=O)c2csc(CO)n2)s1 ZINC001637253282 1352675804 /nfs/dbraw/zinc/67/58/04/1352675804.db2.gz JSWRCQOFYNXVPY-UHFFFAOYSA-N -1 1 348.409 2.415 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ncccc1C(F)(F)F ZINC001642557972 1352733584 /nfs/dbraw/zinc/73/35/84/1352733584.db2.gz KWWCLLAJWUNSHP-NSHDSACASA-N -1 1 348.288 2.133 20 0 EEADMM CSc1nc(CNC(=O)c2ccc3ccn(C)c3c2)cc(=O)[n-]1 ZINC001643838950 1352753532 /nfs/dbraw/zinc/75/35/32/1352753532.db2.gz SACSTMRWJOZWOX-UHFFFAOYSA-N -1 1 328.397 2.326 20 0 EEADMM Cn1cc(CN2CCC([C@@H](O)c3ccccc3)CC2)c(C(=O)[O-])n1 ZINC001646225979 1352822704 /nfs/dbraw/zinc/82/27/04/1352822704.db2.gz VRSQBDFCJKRLEM-KRWDZBQOSA-N -1 1 329.400 2.064 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001647092820 1353136942 /nfs/dbraw/zinc/13/69/42/1353136942.db2.gz DDFHCEHQNLMSCO-CUOATXAZSA-N -1 1 347.383 2.065 20 0 EEADMM O=C(Cc1cc2ccccc2c(=O)[nH]1)Nc1n[n-]c(C(F)(F)F)n1 ZINC001648438243 1353429384 /nfs/dbraw/zinc/42/93/84/1353429384.db2.gz ALMJDEXVRYJETB-UHFFFAOYSA-N -1 1 337.261 2.259 20 0 EEADMM C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[n-][nH]c1=O ZINC001654603679 1354153857 /nfs/dbraw/zinc/15/38/57/1354153857.db2.gz YOWLJMTTWJFFOJ-MRVPVSSYSA-N -1 1 345.384 2.025 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1 ZINC001660303138 1354434014 /nfs/dbraw/zinc/43/40/14/1354434014.db2.gz XYIQWDUIAPDICT-UHFFFAOYSA-N -1 1 346.408 2.403 20 0 EEADMM C[C@H](CNC(=O)c1coc2ccccc12)NC(=O)c1ncccc1[O-] ZINC001688156573 1358816477 /nfs/dbraw/zinc/81/64/77/1358816477.db2.gz VEWZZKCOVIVSPC-LLVKDONJSA-N -1 1 339.351 2.082 20 0 EEADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555840 1368159083 /nfs/dbraw/zinc/15/90/83/1368159083.db2.gz JXWPFVVKLOXXOO-UHFFFAOYSA-N -1 1 335.776 2.321 20 0 EEADMM COC(=O)c1cc(O)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185836770 1368172124 /nfs/dbraw/zinc/17/21/24/1368172124.db2.gz WUHBELDPSLGONB-UHFFFAOYSA-N -1 1 339.344 2.427 20 0 EEADMM O=S(=O)([N-]c1ncc(Cl)nc1Cl)c1ccc2n[nH]cc2c1 ZINC001185945486 1368174027 /nfs/dbraw/zinc/17/40/27/1368174027.db2.gz GBXJDFXSVYUMDT-UHFFFAOYSA-N -1 1 344.183 2.461 20 0 EEADMM CCOC(=O)CCCCCNC(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001189628246 1368371297 /nfs/dbraw/zinc/37/12/97/1368371297.db2.gz IEILURVPMNRZFD-UHFFFAOYSA-N -1 1 342.421 2.149 20 0 EEADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cnn2c1OCC1(CC1)C2 ZINC001195048233 1368501809 /nfs/dbraw/zinc/50/18/09/1368501809.db2.gz 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1400393424 /nfs/dbraw/zinc/39/34/24/1400393424.db2.gz YTOKESJEHWCSLI-VXGBXAGGSA-N -1 1 347.419 2.105 20 0 EEADMM Cc1cc(CN2CCC[C@@](C)(CNC(=O)c3ncccc3[O-])C2)no1 ZINC001423687179 1400746950 /nfs/dbraw/zinc/74/69/50/1400746950.db2.gz YJATVPAHVVQYBV-SFHVURJKSA-N -1 1 344.415 2.116 20 0 EEADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001425556398 1401615262 /nfs/dbraw/zinc/61/52/62/1401615262.db2.gz HRCWDEAGVWVKPF-GXTWGEPZSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(CCC1CC1)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001426564392 1402100101 /nfs/dbraw/zinc/10/01/01/1402100101.db2.gz PFYMVECLKGKGOJ-HUUCEWRRSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CC1CCCCC1 ZINC001426614755 1402118811 /nfs/dbraw/zinc/11/88/11/1402118811.db2.gz GQRQWCHRUMTPHG-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCC[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001426662846 1402133674 /nfs/dbraw/zinc/13/36/74/1402133674.db2.gz TWJLXTSRQBBBPX-NWDGAFQWSA-N -1 1 348.447 2.073 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428139766 1402640185 /nfs/dbraw/zinc/64/01/85/1402640185.db2.gz NKKNOGJLPNFIAS-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H]1CCCC[C@H]1CC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001433865131 1403440307 /nfs/dbraw/zinc/44/03/07/1403440307.db2.gz LDPVIXIJJOQZDT-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)CC2CCC2)C1 ZINC001434307096 1403472189 /nfs/dbraw/zinc/47/21/89/1403472189.db2.gz SYILKKPZHLUTOW-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)c1ccc(CCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001574414179 1403520465 /nfs/dbraw/zinc/52/04/65/1403520465.db2.gz QFSNPTMYYCWOGL-UHFFFAOYSA-N -1 1 339.403 2.295 20 0 EEADMM CC(C)c1ccc(CCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001574414179 1403520469 /nfs/dbraw/zinc/52/04/69/1403520469.db2.gz QFSNPTMYYCWOGL-UHFFFAOYSA-N -1 1 339.403 2.295 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC001576348206 1403566714 /nfs/dbraw/zinc/56/67/14/1403566714.db2.gz WDWZPXXVASRLOW-MRVPVSSYSA-N -1 1 329.291 2.027 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC001576348206 1403566717 /nfs/dbraw/zinc/56/67/17/1403566717.db2.gz WDWZPXXVASRLOW-MRVPVSSYSA-N -1 1 329.291 2.027 20 0 EEADMM CCN(C(=O)c1ccc([O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001577833150 1403687318 /nfs/dbraw/zinc/68/73/18/1403687318.db2.gz WWAGDKLKPQZRMD-NSHDSACASA-N -1 1 338.371 2.191 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(-c2c[nH]nn2)nc1 ZINC001578024787 1403713532 /nfs/dbraw/zinc/71/35/32/1403713532.db2.gz IZRZWMXRSCGTPF-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1SC ZINC001580042137 1403815890 /nfs/dbraw/zinc/81/58/90/1403815890.db2.gz QVCICFUVVVRDLB-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1SC ZINC001580042137 1403815904 /nfs/dbraw/zinc/81/59/04/1403815904.db2.gz QVCICFUVVVRDLB-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM CCOC(=O)[C@@H](CC)N(Cc1csc(-c2nn[n-]n2)c1)C1CC1 ZINC001590753084 1403897000 /nfs/dbraw/zinc/89/70/00/1403897000.db2.gz QBOXUZXKJRJRAG-GFCCVEGCSA-N -1 1 335.433 2.234 20 0 EEADMM COC(=O)c1cccc(CCNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591300811 1403904468 /nfs/dbraw/zinc/90/44/68/1403904468.db2.gz NXSGYPIAHFHHKM-UHFFFAOYSA-N -1 1 344.400 2.073 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591651949 1403935534 /nfs/dbraw/zinc/93/55/34/1403935534.db2.gz VPCZQIGBXHNRHE-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591651949 1403935543 /nfs/dbraw/zinc/93/55/43/1403935543.db2.gz VPCZQIGBXHNRHE-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM CSCc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591700228 1403941797 /nfs/dbraw/zinc/94/17/97/1403941797.db2.gz KWZSCNGUMLTJCV-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591700228 1403941801 /nfs/dbraw/zinc/94/18/01/1403941801.db2.gz KWZSCNGUMLTJCV-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC001591889120 1403969407 /nfs/dbraw/zinc/96/94/07/1403969407.db2.gz YBZVYZHBPPHPIX-SECBINFHSA-N -1 1 330.339 2.054 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCS[C@@H](C(F)(F)F)C2)c1 ZINC001591889120 1403969410 /nfs/dbraw/zinc/96/94/10/1403969410.db2.gz YBZVYZHBPPHPIX-SECBINFHSA-N -1 1 330.339 2.054 20 0 EEADMM Cc1cc(F)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1F ZINC001591986074 1403981357 /nfs/dbraw/zinc/98/13/57/1403981357.db2.gz JLBUCCRSEVXDIT-UHFFFAOYSA-N -1 1 348.265 2.086 20 0 EEADMM Cc1nsc(NCCOC(F)(F)C(F)(F)F)c1-c1nn[n-]n1 ZINC001592491571 1404701673 /nfs/dbraw/zinc/70/16/73/1404701673.db2.gz QCKMVUBSRWLMMD-UHFFFAOYSA-N -1 1 344.269 2.215 20 0 EEADMM Cc1nocc1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592466134 1404699543 /nfs/dbraw/zinc/69/95/43/1404699543.db2.gz JYKYOBCBEVZWKQ-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1nocc1CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592466134 1404699559 /nfs/dbraw/zinc/69/95/59/1404699559.db2.gz JYKYOBCBEVZWKQ-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC001592499725 1404703358 /nfs/dbraw/zinc/70/33/58/1404703358.db2.gz BCJJUGOGVLGGOO-ZETCQYMHSA-N -1 1 332.751 2.308 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC001592499725 1404703360 /nfs/dbraw/zinc/70/33/60/1404703360.db2.gz BCJJUGOGVLGGOO-ZETCQYMHSA-N -1 1 332.751 2.308 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1ccc(Cl)nc1 ZINC001592905641 1404726452 /nfs/dbraw/zinc/72/64/52/1404726452.db2.gz UVOLNMQBQIJOPF-UHFFFAOYSA-N -1 1 347.791 2.041 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1ccc(Cl)nc1 ZINC001592905641 1404726459 /nfs/dbraw/zinc/72/64/59/1404726459.db2.gz UVOLNMQBQIJOPF-UHFFFAOYSA-N -1 1 347.791 2.041 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)OCc1cccnc1-c1nnn[n-]1 ZINC001592917113 1404729489 /nfs/dbraw/zinc/72/94/89/1404729489.db2.gz FAPKEVOQYLKEDF-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)OCc1cccnc1-c1nn[n-]n1 ZINC001592917113 1404729492 /nfs/dbraw/zinc/72/94/92/1404729492.db2.gz FAPKEVOQYLKEDF-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(NC[C@H]1SCCc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593047907 1404739870 /nfs/dbraw/zinc/73/98/70/1404739870.db2.gz VHPSHDFNJYYLAE-CQSZACIVSA-N -1 1 341.396 2.220 20 0 EEADMM O=C(NC[C@H]1SCCc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593047907 1404739876 /nfs/dbraw/zinc/73/98/76/1404739876.db2.gz VHPSHDFNJYYLAE-CQSZACIVSA-N -1 1 341.396 2.220 20 0 EEADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(F)c1O ZINC001606161321 1404771314 /nfs/dbraw/zinc/77/13/14/1404771314.db2.gz QNMRVBQFFDCUQB-UHFFFAOYSA-N -1 1 333.315 2.267 20 0 EEADMM FC(F)(F)c1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001606293179 1404780377 /nfs/dbraw/zinc/78/03/77/1404780377.db2.gz IBOLYYOAQOJBDF-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1noc(C)n1 ZINC000124363730 1404928109 /nfs/dbraw/zinc/92/81/09/1404928109.db2.gz CWUPCNFKVBSQQZ-LLVKDONJSA-N -1 1 340.792 2.333 20 0 EEADMM CCn1cc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cn1 ZINC000192715794 1406115589 /nfs/dbraw/zinc/11/55/89/1406115589.db2.gz BEYLDQOHAJTQKQ-IAQYHMDHSA-N -1 1 325.434 2.040 20 0 EEADMM CCCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001756578929 1409085776 /nfs/dbraw/zinc/08/57/76/1409085776.db2.gz XLCLJFQMMSEHQS-UONOGXRCSA-N -1 1 333.432 2.477 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC001771631157 1409895642 /nfs/dbraw/zinc/89/56/42/1409895642.db2.gz OZTXNBXRLNCOBE-UHFFFAOYSA-N -1 1 349.399 2.195 20 0 EEADMM CC(C)N(CCN(C)c1ncncc1Cl)C(=O)c1ncccc1[O-] ZINC001125476819 759385275 /nfs/dbraw/zinc/38/52/75/759385275.db2.gz BNINEIDSQUOHIE-UHFFFAOYSA-N -1 1 349.822 2.218 20 0 EEADMM CC[C@@](C)(COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)OC ZINC000835962615 761695673 /nfs/dbraw/zinc/69/56/73/761695673.db2.gz VIJVABDUJSPMSB-HNNXBMFYSA-N -1 1 347.433 2.328 20 0 EEADMM Cc1nc(Cl)cc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174868 769242349 /nfs/dbraw/zinc/24/23/49/769242349.db2.gz NTDWUJYPXXQJKV-LLVKDONJSA-N -1 1 349.822 2.406 20 0 EEADMM CCc1nsc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174923 769243857 /nfs/dbraw/zinc/24/38/57/769243857.db2.gz OTORMQGHBCVVTJ-SNVBAGLBSA-N -1 1 335.433 2.068 20 0 EEADMM C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979670036 770819905 /nfs/dbraw/zinc/81/99/05/770819905.db2.gz AZKMCBRUFUHFOE-APIJFGDWSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1ccnc(Cl)c1)c1ncccc1[O-] ZINC001027844419 773435750 /nfs/dbraw/zinc/43/57/50/773435750.db2.gz QXRWRHHFRFFEKE-ZDUSSCGKSA-N -1 1 346.818 2.230 20 0 EEADMM CC[C@@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995280360 783193296 /nfs/dbraw/zinc/19/32/96/783193296.db2.gz VOCDIRANWMXRTK-ZXYWRSMDSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000159406269 775464873 /nfs/dbraw/zinc/46/48/73/775464873.db2.gz XXSKDJWRCHNQHB-CYBMUJFWSA-N -1 1 327.352 2.285 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(C/C=C/Cl)CC2(C)C)c1[O-] ZINC000940664728 779084723 /nfs/dbraw/zinc/08/47/23/779084723.db2.gz NBSAXOHXLGIYST-DUMNWFOQSA-N -1 1 326.828 2.007 20 0 EEADMM COCc1nc(N2CCC[C@@H](Oc3ccccc3OC)C2)cc(=O)[n-]1 ZINC000893841587 780234077 /nfs/dbraw/zinc/23/40/77/780234077.db2.gz CDRNOZKCFNTPOM-CYBMUJFWSA-N -1 1 345.399 2.385 20 0 EEADMM CCn1c(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2OC)n[n-]c1=S ZINC000067077711 780533316 /nfs/dbraw/zinc/53/33/16/780533316.db2.gz RIVGVGGGRVWKMT-QWHCGFSZSA-N -1 1 346.456 2.432 20 0 EEADMM Cc1onc(CO)c1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC001145111993 790870374 /nfs/dbraw/zinc/87/03/74/790870374.db2.gz VBMJCJIOCWVPDS-UHFFFAOYSA-N -1 1 348.359 2.309 20 0 EEADMM Cc1ccccc1C(F)(F)C(=O)[N-]c1nc2c(cnn2C)c(=O)[nH]1 ZINC001131818252 783306170 /nfs/dbraw/zinc/30/61/70/783306170.db2.gz FOZHJRXCAFAWBC-UHFFFAOYSA-N -1 1 333.298 2.108 20 0 EEADMM COC(=O)[C@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000805609321 783733133 /nfs/dbraw/zinc/73/31/33/783733133.db2.gz QJPVROLWXCVKKA-SNVBAGLBSA-N -1 1 330.127 2.183 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945483396 784167184 /nfs/dbraw/zinc/16/71/84/784167184.db2.gz WVPNLROYHQGUGV-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000906853451 784210139 /nfs/dbraw/zinc/21/01/39/784210139.db2.gz SCAPNXVUBYKPMW-LBPRGKRZSA-N -1 1 325.386 2.044 20 0 EEADMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N[C@H](C)C(F)(F)F)c1 ZINC000906985330 784300990 /nfs/dbraw/zinc/30/09/90/784300990.db2.gz CWCNJLKFMRJFPN-ZCFIWIBFSA-N -1 1 329.271 2.061 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000945609639 784496142 /nfs/dbraw/zinc/49/61/42/784496142.db2.gz MHXCVJLICKXREA-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945615043 784510389 /nfs/dbraw/zinc/51/03/89/784510389.db2.gz ADGHHQNRMOLERI-STQMWFEESA-N -1 1 349.406 2.408 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945615040 784510670 /nfs/dbraw/zinc/51/06/70/784510670.db2.gz ADGHHQNRMOLERI-CHWSQXEVSA-N -1 1 349.406 2.408 20 0 EEADMM Cn1cncc1CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817291982 784633650 /nfs/dbraw/zinc/63/36/50/784633650.db2.gz GLVKMXRKDUORGB-GFCCVEGCSA-N -1 1 338.333 2.030 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907474379 784643603 /nfs/dbraw/zinc/64/36/03/784643603.db2.gz JCUMJDNFIQFBTK-AWEZNQCLSA-N -1 1 345.472 2.356 20 0 EEADMM O=C(c1ccc(OC2CCC2)cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478359 784648121 /nfs/dbraw/zinc/64/81/21/784648121.db2.gz XPGGXXZNSKLADH-AWEZNQCLSA-N -1 1 345.428 2.061 20 0 EEADMM Cc1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(C)cc1Cl ZINC000907480302 784687116 /nfs/dbraw/zinc/68/71/16/784687116.db2.gz RWLUSIARRHTTPV-GFCCVEGCSA-N -1 1 337.836 2.400 20 0 EEADMM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cn[nH]c3-c3ccccc3F)[C@@H]2C1 ZINC000907950864 784981426 /nfs/dbraw/zinc/98/14/26/784981426.db2.gz AQBDHHITZLIKLK-HMDURAKOSA-N -1 1 343.358 2.445 20 0 EEADMM CC(=O)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1C ZINC000908012132 785019497 /nfs/dbraw/zinc/01/94/97/785019497.db2.gz TYZUYNVNEUMWLD-UHFFFAOYSA-N -1 1 329.356 2.306 20 0 EEADMM CC(=O)c1cc(NC(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])ccc1C ZINC000908627332 785577844 /nfs/dbraw/zinc/57/78/44/785577844.db2.gz HCGGLKWODNTATR-INIZCTEOSA-N -1 1 347.415 2.258 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c(F)c1 ZINC000819878266 785695259 /nfs/dbraw/zinc/69/52/59/785695259.db2.gz BTPNUQHLPOZMNT-NSHDSACASA-N -1 1 347.383 2.237 20 0 EEADMM CC(C)Oc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000908754398 785701573 /nfs/dbraw/zinc/70/15/73/785701573.db2.gz OFGJLVRNQRBCER-ZBFHGGJFSA-N -1 1 348.443 2.448 20 0 EEADMM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cc(F)ccc1F ZINC000908823295 785758865 /nfs/dbraw/zinc/75/88/65/785758865.db2.gz NBLXGNLHCYXZBD-XHDPSFHLSA-N -1 1 340.370 2.329 20 0 EEADMM COC(=O)c1sc2nc(C)ccc2c1[N-]C(=O)c1cnsn1 ZINC001129225658 785824908 /nfs/dbraw/zinc/82/49/08/785824908.db2.gz WVMLPPDUQCNRTF-UHFFFAOYSA-N -1 1 334.382 2.495 20 0 EEADMM CC[C@@](NC(=O)c1ccc(CN(C)C)nc1)(C(=O)[O-])c1ccccc1 ZINC000908939907 785863371 /nfs/dbraw/zinc/86/33/71/785863371.db2.gz PAJGDVDLMAUAJY-IBGZPJMESA-N -1 1 341.411 2.263 20 0 EEADMM CN(C(=O)c1cc([C@H]2CCCN2C)n[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000909000661 785930029 /nfs/dbraw/zinc/93/00/29/785930029.db2.gz BIPPJTOBVCJRHX-CVEARBPZSA-N -1 1 342.399 2.074 20 0 EEADMM CCCN(C(=O)NCCN(C)Cc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000909094725 785992332 /nfs/dbraw/zinc/99/23/32/785992332.db2.gz CZIYOJDUQCPIGF-ZDUSSCGKSA-N -1 1 339.411 2.152 20 0 EEADMM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)CC=CC1 ZINC000996146940 786084639 /nfs/dbraw/zinc/08/46/39/786084639.db2.gz MWLCYGWZPARBQM-RDBSUJKOSA-N -1 1 341.411 2.005 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)CC2COC2)c1 ZINC000909212824 786098534 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EEADMM C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910108048 786455431 /nfs/dbraw/zinc/45/54/31/786455431.db2.gz FRRBXLXKOKSCHQ-NTZNESFSSA-N -1 1 337.445 2.378 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(Cl)ccc1F ZINC000821132360 786613370 /nfs/dbraw/zinc/61/33/70/786613370.db2.gz OJDYNIGKVZEBTJ-UHFFFAOYSA-N -1 1 326.802 2.398 20 0 EEADMM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CN(C)[C@H]1CCSC1 ZINC000910506282 786843430 /nfs/dbraw/zinc/84/34/30/786843430.db2.gz FYVAEWJGCRYAFN-ZDUSSCGKSA-N -1 1 330.494 2.019 20 0 EEADMM CCCC[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107389947 787064199 /nfs/dbraw/zinc/06/41/99/787064199.db2.gz UXZGXTQTGAEOGD-PMUMKWKESA-N -1 1 349.479 2.197 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000910980886 787160469 /nfs/dbraw/zinc/16/04/69/787160469.db2.gz HYAAGKLWGBUCQE-KRWDZBQOSA-N -1 1 339.395 2.061 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000910987153 787166215 /nfs/dbraw/zinc/16/62/15/787166215.db2.gz KGEBDVGGCDZMJW-HZPDHXFCSA-N -1 1 348.468 2.013 20 0 EEADMM Cc1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1C(=O)[O-] ZINC000911164138 787282360 /nfs/dbraw/zinc/28/23/60/787282360.db2.gz ANXLGCXRXDHXMG-INIZCTEOSA-N -1 1 346.427 2.020 20 0 EEADMM CCN(CC)[C@H](CNC(=O)c1cc(C(=O)[O-])cnc1C)c1ccco1 ZINC000911253737 787352040 /nfs/dbraw/zinc/35/20/40/787352040.db2.gz IXVSKUYEOHHEKB-OAHLLOKOSA-N -1 1 345.399 2.494 20 0 EEADMM C/C(=C/C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001062149877 787485449 /nfs/dbraw/zinc/48/54/49/787485449.db2.gz ODGWODGWXRZAFM-BMOGTNHUSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)c1n[nH]c(CC2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)n1 ZINC000911778430 787706485 /nfs/dbraw/zinc/70/64/85/787706485.db2.gz YCOONBQHOPPLNE-UHFFFAOYSA-N -1 1 348.447 2.354 20 0 EEADMM CC(C)c1nnc(CC2CCN(C(=O)C3(C(=O)[O-])CCCC3)CC2)[nH]1 ZINC000911778430 787706493 /nfs/dbraw/zinc/70/64/93/787706493.db2.gz YCOONBQHOPPLNE-UHFFFAOYSA-N -1 1 348.447 2.354 20 0 EEADMM CCON(CC1CCCCC1)C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000911810961 787737866 /nfs/dbraw/zinc/73/78/66/787737866.db2.gz YMTDYVNWNUXUTO-HNNXBMFYSA-N -1 1 326.437 2.143 20 0 EEADMM CCON(CC1CCCCC1)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000911810961 787737873 /nfs/dbraw/zinc/73/78/73/787737873.db2.gz YMTDYVNWNUXUTO-HNNXBMFYSA-N -1 1 326.437 2.143 20 0 EEADMM C[C@H](CNc1nc(C2CCC2)ns1)NC(=O)c1ncccc1[O-] ZINC001107690286 788070450 /nfs/dbraw/zinc/07/04/50/788070450.db2.gz RQPKDEKHQKLGOF-SECBINFHSA-N -1 1 333.417 2.137 20 0 EEADMM CSCC[C@H](NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)c1nn[n-]n1 ZINC000912860050 788416712 /nfs/dbraw/zinc/41/67/12/788416712.db2.gz LDHJDIGMFJIIMV-DRZSPHRISA-N -1 1 349.460 2.459 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1nn[n-]n1 ZINC000912859732 788416912 /nfs/dbraw/zinc/41/69/12/788416912.db2.gz AFRDQWLNQYIEBU-ZETCQYMHSA-N -1 1 349.247 2.069 20 0 EEADMM CCc1ccc([C@@H](C)C(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1 ZINC000912860011 788417369 /nfs/dbraw/zinc/41/73/69/788417369.db2.gz HMESNJRAKBRDMI-RISCZKNCSA-N -1 1 333.461 2.476 20 0 EEADMM CSCC[C@H](NC(=O)Cc1coc2cc(F)ccc12)c1nn[n-]n1 ZINC000912861566 788422224 /nfs/dbraw/zinc/42/22/24/788422224.db2.gz QBFHLMSQNDQPEU-LBPRGKRZSA-N -1 1 349.391 2.238 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2C/C(Cl)=C/Cl ZINC001032369930 788592126 /nfs/dbraw/zinc/59/21/26/788592126.db2.gz ZLLGQGVMSRUUGX-ZUBHOKJJSA-N -1 1 328.199 2.005 20 0 EEADMM Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000913088840 788618773 /nfs/dbraw/zinc/61/87/73/788618773.db2.gz CHJCRNXJOJWMQL-GDBMZVCRSA-N -1 1 333.363 2.142 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCOC2(CCCC2)C1 ZINC000913436235 788873409 /nfs/dbraw/zinc/87/34/09/788873409.db2.gz AIEKITCLBKCIJW-HUUCEWRRSA-N -1 1 341.415 2.145 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1(Cc2ccccc2)CC1 ZINC000913437067 788874940 /nfs/dbraw/zinc/87/49/40/788874940.db2.gz BLSQGOWRLFFKQI-MRXNPFEDSA-N -1 1 333.395 2.428 20 0 EEADMM COc1cc[n-]c(=NNC(=O)N[C@H]2CCCOc3ccc(F)cc32)n1 ZINC000054785107 789000837 /nfs/dbraw/zinc/00/08/37/789000837.db2.gz PVFTYNVWPBVCPJ-LBPRGKRZSA-N -1 1 347.350 2.164 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)cc1OC ZINC000055621010 789223804 /nfs/dbraw/zinc/22/38/04/789223804.db2.gz ILWIXTBEWLGPSD-UHFFFAOYSA-N -1 1 348.380 2.407 20 0 EEADMM O=C(NC1CN(Cc2ccc(F)c(Cl)c2)C1)c1ncccc1[O-] ZINC001030240076 789858746 /nfs/dbraw/zinc/85/87/46/789858746.db2.gz RZHBMLYVPQDCCH-UHFFFAOYSA-N -1 1 335.766 2.194 20 0 EEADMM C[C@@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1)C1CCCC1 ZINC001062840893 789933181 /nfs/dbraw/zinc/93/31/81/789933181.db2.gz PIWCMCHLDDILBZ-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM CCc1ccoc1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840857 789933193 /nfs/dbraw/zinc/93/31/93/789933193.db2.gz OFSCHRXRJSJMPV-UHFFFAOYSA-N -1 1 343.383 2.025 20 0 EEADMM COc1cc[n-]c(=NNC(=O)c2nc(-c3ccccc3)oc2C)n1 ZINC000046364560 789992843 /nfs/dbraw/zinc/99/28/43/789992843.db2.gz PWJLOMHIMWTRQV-UHFFFAOYSA-N -1 1 325.328 2.206 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000846277742 790112570 /nfs/dbraw/zinc/11/25/70/790112570.db2.gz KUNRFWZFSUGGDQ-WCQYABFASA-N -1 1 339.260 2.337 20 0 EEADMM CCCc1nsc(NC[C@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109822102 806044759 /nfs/dbraw/zinc/04/47/59/806044759.db2.gz WMKQOHLVDPUTAR-NSHDSACASA-N -1 1 347.444 2.212 20 0 EEADMM O=C(N[C@@H]1CCCC[C@@H]1CNC(=O)C1CC=CC1)c1ncccc1[O-] ZINC000946383121 791453000 /nfs/dbraw/zinc/45/30/00/791453000.db2.gz UPFBSBFWIRAVDF-HUUCEWRRSA-N -1 1 343.427 2.158 20 0 EEADMM C[C@@H](Nc1nccnc1F)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881423 791877474 /nfs/dbraw/zinc/87/74/74/791877474.db2.gz TUTZOFDAHVYFKL-NEPJUHHUSA-N -1 1 345.378 2.069 20 0 EEADMM C[C@H](Nc1nccnc1F)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881425 791877777 /nfs/dbraw/zinc/87/77/77/791877777.db2.gz TUTZOFDAHVYFKL-RYUDHWBXSA-N -1 1 345.378 2.069 20 0 EEADMM NC(=O)c1nccnc1C(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC001147752475 791943767 /nfs/dbraw/zinc/94/37/67/791943767.db2.gz QWDRZFQEJFSZQJ-UHFFFAOYSA-N -1 1 349.759 2.198 20 0 EEADMM COC(Cc1ccc(NC(=O)c2c(CO)cnc(C)c2[O-])cc1)OC ZINC001147842666 792000684 /nfs/dbraw/zinc/00/06/84/792000684.db2.gz IIXLINFYHUOERR-UHFFFAOYSA-N -1 1 346.383 2.002 20 0 EEADMM C=C/C(C)=C/CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064038073 792182579 /nfs/dbraw/zinc/18/25/79/792182579.db2.gz KVDJQRGSZSNSTP-NTUHNPAUSA-N -1 1 329.400 2.078 20 0 EEADMM Cc1cc(NC[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])ncn1 ZINC001064171802 792592427 /nfs/dbraw/zinc/59/24/27/792592427.db2.gz QXSCSNDPZFLHGB-UONOGXRCSA-N -1 1 341.415 2.286 20 0 EEADMM Cc1csc(C(=O)NCC2CC(NC(=O)c3ncccc3[O-])C2)c1 ZINC000992091424 792668598 /nfs/dbraw/zinc/66/85/98/792668598.db2.gz RPHJBBYILVDFML-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1cnc(C)nc1N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001064767084 793695890 /nfs/dbraw/zinc/69/58/90/793695890.db2.gz UOYPEYKDVNZASJ-OCCSQVGLSA-N -1 1 341.415 2.299 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CNc1nc(C2CC2)ns1 ZINC001064897959 793933978 /nfs/dbraw/zinc/93/39/78/793933978.db2.gz WZZPOZIROWHKAH-NSHDSACASA-N -1 1 345.428 2.233 20 0 EEADMM O=C(C=Cc1ccc2ccccc2n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742154 794200328 /nfs/dbraw/zinc/20/03/28/794200328.db2.gz KNJODFWOMNFSSQ-BQYQJAHWSA-N -1 1 334.383 2.167 20 0 EEADMM COc1ccc(C2(C(=O)N3CCC(c4nn[n-]n4)CC3)CCC2)cc1 ZINC000913742938 794203562 /nfs/dbraw/zinc/20/35/62/794203562.db2.gz NNDDNSVYGKVCMK-UHFFFAOYSA-N -1 1 341.415 2.036 20 0 EEADMM O=C(c1cc(Br)cs1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743337 794205103 /nfs/dbraw/zinc/20/51/03/794205103.db2.gz QNLYYULBRLTUJZ-UHFFFAOYSA-N -1 1 342.222 2.044 20 0 EEADMM COc1cccc(C(C)=CC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743562 794207513 /nfs/dbraw/zinc/20/75/13/794207513.db2.gz AVTGMZCERWLBJX-ZRDIBKRKSA-N -1 1 327.388 2.018 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC([C@@H]2[N@H+](CCF)CC23CCC3)CC1 ZINC001093367983 795097135 /nfs/dbraw/zinc/09/71/35/795097135.db2.gz UFTKKEXEKISQRF-KRWDZBQOSA-N -1 1 347.434 2.463 20 0 EEADMM C[C@@H](CCNC(=O)[C@@H]1CCCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001077881819 795214470 /nfs/dbraw/zinc/21/44/70/795214470.db2.gz JJOBJYGJXSCNOB-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CCN(CCNc1nc(C2CCC2)ns1)C(=O)c1ncccc1[O-] ZINC001106727737 796299199 /nfs/dbraw/zinc/29/91/99/796299199.db2.gz ZRQYFRWLRJUFEE-UHFFFAOYSA-N -1 1 347.444 2.480 20 0 EEADMM O=C(NC1CCC(Nc2ncncc2Cl)CC1)c1ncccc1[O-] ZINC001060588972 796693563 /nfs/dbraw/zinc/69/35/63/796693563.db2.gz FWLUNZNSXLBZNK-UHFFFAOYSA-N -1 1 347.806 2.384 20 0 EEADMM C[C@@H](CCNC(=O)[C@@H](C)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001078603490 796716206 /nfs/dbraw/zinc/71/62/06/796716206.db2.gz SSNVHQSMEOALIF-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)c1ncccc1[O-] ZINC001002084614 797577807 /nfs/dbraw/zinc/57/78/07/797577807.db2.gz TVKWZTILPWOKSX-HNNXBMFYSA-N -1 1 339.395 2.164 20 0 EEADMM CNc1ncc2cc([N-]S(=O)(=O)c3cccc(N)c3)ccc2n1 ZINC001174534840 797782199 /nfs/dbraw/zinc/78/21/99/797782199.db2.gz DJKUAWKNNOHVIP-UHFFFAOYSA-N -1 1 329.385 2.055 20 0 EEADMM Cc1cc(N2CC[C@@](C)(NC(=O)c3ccccc3O)C2)nc(C)[nH+]1 ZINC001065204738 797925680 /nfs/dbraw/zinc/92/56/80/797925680.db2.gz PDSSTJLGJQQQHZ-GOSISDBHSA-N -1 1 326.400 2.198 20 0 EEADMM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc2occc(=O)c2c1 ZINC001174946085 797940834 /nfs/dbraw/zinc/94/08/34/797940834.db2.gz TYKUAWVNZDUFKJ-UHFFFAOYSA-N -1 1 330.365 2.484 20 0 EEADMM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NC1=CCOCC1)OCC ZINC001176142063 798346349 /nfs/dbraw/zinc/34/63/49/798346349.db2.gz SOIMINNOOQKEOS-UHFFFAOYSA-N -1 1 341.433 2.129 20 0 EEADMM CN(C)C(=O)c1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)c(F)c1 ZINC001176201754 798377280 /nfs/dbraw/zinc/37/72/80/798377280.db2.gz JBXNGGHVXKZMIE-UHFFFAOYSA-N -1 1 337.336 2.453 20 0 EEADMM C[C@H]1CC(C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)C[C@H](C)C1 ZINC001002644428 798377761 /nfs/dbraw/zinc/37/77/61/798377761.db2.gz DIBWPKSPHXDJGQ-CHWSQXEVSA-N -1 1 345.443 2.048 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)Cc2ccon2)c1 ZINC001177512050 798995009 /nfs/dbraw/zinc/99/50/09/798995009.db2.gz YKUOALYESYUHJL-UHFFFAOYSA-N -1 1 327.134 2.333 20 0 EEADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1CN(c2cnccn2)C1 ZINC001178098102 799262950 /nfs/dbraw/zinc/26/29/50/799262950.db2.gz VVQLJKOOGJRRIE-UHFFFAOYSA-N -1 1 338.289 2.276 20 0 EEADMM Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001065700856 799390358 /nfs/dbraw/zinc/39/03/58/799390358.db2.gz QOZIBQDIZIGMJO-TZMCWYRMSA-N -1 1 341.415 2.157 20 0 EEADMM CC1(CCC(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001066078655 799975203 /nfs/dbraw/zinc/97/52/03/799975203.db2.gz MSYITEOUJRWNKF-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CC/C(C)=C\C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079365 799975706 /nfs/dbraw/zinc/97/57/06/799975706.db2.gz XWORJEXLYJDRDK-DINCDJDBSA-N -1 1 331.416 2.254 20 0 EEADMM O=C(COC/C=C/c1ccccc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000150757475 800289346 /nfs/dbraw/zinc/28/93/46/800289346.db2.gz LOPYQNOPETVYDB-QPJJXVBHSA-N -1 1 326.278 2.492 20 0 EEADMM CC(C)(O)CN(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC1 ZINC000827873019 800523380 /nfs/dbraw/zinc/52/33/80/800523380.db2.gz MOPKOVOLQDHRFE-UHFFFAOYSA-N -1 1 330.388 2.345 20 0 EEADMM CN(C[C@H]1CCN1CCc1ccccc1F)C(=O)c1ncccc1[O-] ZINC001085562119 800787748 /nfs/dbraw/zinc/78/77/48/800787748.db2.gz DIAGUGLLRJGNKX-OAHLLOKOSA-N -1 1 343.402 2.315 20 0 EEADMM Cc1nc(C)c(CN2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])s1 ZINC001085562190 800788140 /nfs/dbraw/zinc/78/81/40/800788140.db2.gz FXLUMZLBLBXZTR-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM CSc1nc(NC(=O)CC2(CC(N)=O)CCCCC2)cc(=O)[n-]1 ZINC001182180515 801049309 /nfs/dbraw/zinc/04/93/09/801049309.db2.gz DRIIRHAOOPLANR-UHFFFAOYSA-N -1 1 338.433 2.059 20 0 EEADMM C[C@H](C(=O)NCc1nn[n-]n1)c1ccc(-c2ccccc2)c(F)c1 ZINC001182244837 801077650 /nfs/dbraw/zinc/07/76/50/801077650.db2.gz ASJMQHNTLIULPW-NSHDSACASA-N -1 1 325.347 2.426 20 0 EEADMM C[C@@](O)(C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001182923251 801385334 /nfs/dbraw/zinc/38/53/34/801385334.db2.gz LWARPFMRDOOKQV-AWEZNQCLSA-N -1 1 337.173 2.396 20 0 EEADMM CC(C)Oc1nccc(C[N-]C(=O)C(F)(F)OCC(F)(F)F)n1 ZINC001183197712 801508529 /nfs/dbraw/zinc/50/85/29/801508529.db2.gz OICSJZMOXPIKNQ-UHFFFAOYSA-N -1 1 343.252 2.052 20 0 EEADMM Cc1cnn(C)c1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001183250361 801537921 /nfs/dbraw/zinc/53/79/21/801537921.db2.gz DFXQXBITVQPMNN-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM Cc1cnn(C)c1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001183250361 801537930 /nfs/dbraw/zinc/53/79/30/801537930.db2.gz DFXQXBITVQPMNN-UHFFFAOYSA-N -1 1 332.751 2.125 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)CC1CCCC1 ZINC001004430115 802036136 /nfs/dbraw/zinc/03/61/36/802036136.db2.gz OHGMBMVZPHKNNI-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCCC3)cc1C(=O)[O-] ZINC001184668388 802126881 /nfs/dbraw/zinc/12/68/81/802126881.db2.gz SKLOEZIYKNIDOW-UHFFFAOYSA-N -1 1 349.412 2.106 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)n(-c2ccncc2)n1 ZINC001184842440 802221226 /nfs/dbraw/zinc/22/12/26/802221226.db2.gz RKDTZPVGARMSRX-UHFFFAOYSA-N -1 1 349.803 2.425 20 0 EEADMM Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC1(c2ccc(F)cc2)CCC1 ZINC001184871025 802242222 /nfs/dbraw/zinc/24/22/22/802242222.db2.gz TWKLUNXQWUNPFM-UHFFFAOYSA-N -1 1 332.335 2.060 20 0 EEADMM C[C@H]1CCN(C(=O)CC(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004746621 802740975 /nfs/dbraw/zinc/74/09/75/802740975.db2.gz BIUHCNMBSNDCSM-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1nc(C)c(C)c(NCCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001109437095 805463615 /nfs/dbraw/zinc/46/36/15/805463615.db2.gz ZYUPRMQJCLWNHZ-UHFFFAOYSA-N -1 1 329.404 2.077 20 0 EEADMM O=C(Nc1ccccc1Oc1cccc(F)c1)NN1CC(=O)[N-]C1=O ZINC000789837450 808216947 /nfs/dbraw/zinc/21/69/47/808216947.db2.gz UZOBWPGKOSLGPY-UHFFFAOYSA-N -1 1 344.302 2.206 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H](F)C(C)C)c2)n1 ZINC000790159211 808461472 /nfs/dbraw/zinc/46/14/72/808461472.db2.gz HLHQYFGPFPDDKX-ZDUSSCGKSA-N -1 1 348.378 2.259 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCc3cc4ccccc4o3)ccnc1-2 ZINC000791088199 809060856 /nfs/dbraw/zinc/06/08/56/809060856.db2.gz GQACTLPAWSREDP-UHFFFAOYSA-N -1 1 335.367 2.452 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3nc(-c4ccccc4)c[nH]3)ccnc1-2 ZINC000791089076 809066681 /nfs/dbraw/zinc/06/66/81/809066681.db2.gz LPYINFWKBVWYTJ-UHFFFAOYSA-N -1 1 347.382 2.054 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCc3cccc(Cl)c3)ccnc1-2 ZINC000791090924 809067477 /nfs/dbraw/zinc/06/74/77/809067477.db2.gz ULCXJSPCUCHFLF-UHFFFAOYSA-N -1 1 329.791 2.359 20 0 EEADMM CCC/C=C/CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001113532879 809171890 /nfs/dbraw/zinc/17/18/90/809171890.db2.gz JKQHGNVQGGEDBH-SNAWJCMRSA-N -1 1 344.415 2.433 20 0 EEADMM COC(=O)C(C)(C)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170234083 809833449 /nfs/dbraw/zinc/83/34/49/809833449.db2.gz QJQPJQGOEWMUNK-UHFFFAOYSA-N -1 1 327.344 2.253 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CC1(Cl)Cl)c1cnc(Cl)c(F)c1 ZINC000804946507 811085184 /nfs/dbraw/zinc/08/51/84/811085184.db2.gz IBGOTIZXQHYOLT-YFKPBYRVSA-N -1 1 333.599 2.346 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1CCCCO1 ZINC000806020888 811709220 /nfs/dbraw/zinc/70/92/20/811709220.db2.gz XJKZWMSLIFCVKN-HNNXBMFYSA-N -1 1 343.383 2.207 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCc4c5ccccc5[nH]c4C3)ccnc1-2 ZINC000806491237 811880225 /nfs/dbraw/zinc/88/02/25/811880225.db2.gz WNOCDAJECDKFSR-UHFFFAOYSA-N -1 1 346.394 2.413 20 0 EEADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000809113978 812979028 /nfs/dbraw/zinc/97/90/28/812979028.db2.gz KJRIKBBWHFJLKQ-PHIMTYICSA-N -1 1 345.417 2.081 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000780341352 939106339 /nfs/dbraw/zinc/10/63/39/939106339.db2.gz KKCOKUXKGJTPRJ-LLVKDONJSA-N -1 1 325.434 2.047 20 0 EEADMM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1F ZINC000797723943 939186678 /nfs/dbraw/zinc/18/66/78/939186678.db2.gz GVXWJPUPLCFAEZ-OCCSQVGLSA-N -1 1 332.335 2.051 20 0 EEADMM CC(C)CN1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000324791580 971156960 /nfs/dbraw/zinc/15/69/60/971156960.db2.gz LUDNFORVOAVDOX-UHFFFAOYSA-N -1 1 341.358 2.469 20 0 EEADMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000325958983 971257084 /nfs/dbraw/zinc/25/70/84/971257084.db2.gz PCEHQAKASYSZOX-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826233337 947684803 /nfs/dbraw/zinc/68/48/03/947684803.db2.gz CSOHPSOWSVNYOX-UHFFFAOYSA-N -1 1 325.304 2.150 20 0 EEADMM Cc1onc(CC(=O)N(C)c2cccc(C(C)C)c2)c1-c1nnn[n-]1 ZINC000826342851 947984392 /nfs/dbraw/zinc/98/43/92/947984392.db2.gz CDFAQVFITHVWDD-UHFFFAOYSA-N -1 1 340.387 2.492 20 0 EEADMM Cc1onc(CC(=O)N(C)c2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC000826342851 947984396 /nfs/dbraw/zinc/98/43/96/947984396.db2.gz CDFAQVFITHVWDD-UHFFFAOYSA-N -1 1 340.387 2.492 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2CCCC2)c1-c1nnn[n-]1 ZINC000826346257 948038489 /nfs/dbraw/zinc/03/84/89/948038489.db2.gz HUWBIZDAYQWFLW-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2CCCC2)c1-c1nn[n-]n1 ZINC000826346257 948038495 /nfs/dbraw/zinc/03/84/95/948038495.db2.gz HUWBIZDAYQWFLW-UHFFFAOYSA-N -1 1 332.408 2.038 20 0 EEADMM CO[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001570929572 948775793 /nfs/dbraw/zinc/77/57/93/948775793.db2.gz WLKGJEGGXLTTEV-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001575517547 949232967 /nfs/dbraw/zinc/23/29/67/949232967.db2.gz WOQDZTZOMCEBSE-SNVBAGLBSA-N -1 1 349.441 2.310 20 0 EEADMM CC(C)n1cc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cn1 ZINC001574454984 949294730 /nfs/dbraw/zinc/29/47/30/949294730.db2.gz KLZULCNKKFIKIE-UHFFFAOYSA-N -1 1 336.359 2.378 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC001595257231 949628747 /nfs/dbraw/zinc/62/87/47/949628747.db2.gz GHHYJALTGRCFGP-CQSZACIVSA-N -1 1 347.333 2.399 20 0 EEADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001589723159 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CS(=O)(=O)C1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000618485703 469364610 /nfs/dbraw/zinc/36/46/10/469364610.db2.gz QPGDVNWSYYTURX-UHFFFAOYSA-N -1 1 329.393 2.009 20 0 EEADMM O=C(Cc1ccc(Cl)cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000618488186 469365569 /nfs/dbraw/zinc/36/55/69/469365569.db2.gz NAOFWWIBTUCXCM-HNNXBMFYSA-N -1 1 327.775 2.301 20 0 EEADMM COC(=O)C[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000596908157 469404612 /nfs/dbraw/zinc/40/46/12/469404612.db2.gz YXEREAWNASPXGR-CYBMUJFWSA-N -1 1 328.368 2.498 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611829 469450808 /nfs/dbraw/zinc/45/08/08/469450808.db2.gz LTJPEXPMWPCBAS-GOSISDBHSA-N -1 1 349.394 2.377 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000618976781 469484280 /nfs/dbraw/zinc/48/42/80/469484280.db2.gz YDBXXJJUQZDIII-LBPRGKRZSA-N -1 1 331.397 2.335 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000618976780 469484385 /nfs/dbraw/zinc/48/43/85/469484385.db2.gz 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/nfs/dbraw/zinc/42/23/90/577422390.db2.gz SWMUTDNCVZQTPA-UHFFFAOYSA-N -1 1 341.289 2.098 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccc(-n2cccc2)nc1)C(F)(F)F ZINC000774967447 577424938 /nfs/dbraw/zinc/42/49/38/577424938.db2.gz NVYJHUBXXYOUES-UHFFFAOYSA-N -1 1 341.289 2.098 20 0 EEADMM CCCOc1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1N ZINC000774970277 577425065 /nfs/dbraw/zinc/42/50/65/577425065.db2.gz YJPMTNVOXIFOCZ-UHFFFAOYSA-N -1 1 348.321 2.283 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccn(C2CCCC2)n1)C(F)(F)F ZINC000774971197 577425103 /nfs/dbraw/zinc/42/51/03/577425103.db2.gz DMPNNLZTEONNJL-UHFFFAOYSA-N -1 1 333.310 2.224 20 0 EEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765109453 577495221 /nfs/dbraw/zinc/49/52/21/577495221.db2.gz LBBOYYXBODQNKF-HVCHUGMYSA-N -1 1 341.415 2.103 20 0 EEADMM O=C([N-]CCOCC(F)(F)C(F)F)C(F)(F)c1nccs1 ZINC000765186111 577496736 /nfs/dbraw/zinc/49/67/36/577496736.db2.gz QUPCMWVGYBDNQN-UHFFFAOYSA-N -1 1 336.257 2.268 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000765230975 577497654 /nfs/dbraw/zinc/49/76/54/577497654.db2.gz QNFZWKLXGGDSSO-JTQLQIEISA-N -1 1 332.408 2.347 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](CO)C2)c([O-])c1 ZINC000765240266 577497781 /nfs/dbraw/zinc/49/77/81/577497781.db2.gz DIHVWMNSVXVULW-NSHDSACASA-N -1 1 336.388 2.194 20 0 EEADMM Cn1[n-]c(COC(=O)c2ccc(OCc3ccccc3)cc2)nc1=O ZINC000765375683 577499915 /nfs/dbraw/zinc/49/99/15/577499915.db2.gz GVONVUZOHKPMSA-UHFFFAOYSA-N -1 1 339.351 2.044 20 0 EEADMM CSCc1c2ccccc2oc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765391756 577500162 /nfs/dbraw/zinc/50/01/62/577500162.db2.gz HZTSKFIOUAALGK-UHFFFAOYSA-N -1 1 333.369 2.075 20 0 EEADMM CC(C)(C)[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)c2ccccc21 ZINC000768097378 577550213 /nfs/dbraw/zinc/55/02/13/577550213.db2.gz IRPLECQQOKBXAQ-CQSZACIVSA-N -1 1 341.411 2.103 20 0 EEADMM O=C(c1cccnc1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000768132532 577550879 /nfs/dbraw/zinc/55/08/79/577550879.db2.gz GSHZTKFENTWBPI-UHFFFAOYSA-N -1 1 331.803 2.399 20 0 EEADMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)[C@H](C)[C@@H]1OC ZINC000770722506 577602430 /nfs/dbraw/zinc/60/24/30/577602430.db2.gz GHQZXGLXUNWXCI-AXFHLTTASA-N -1 1 349.884 2.192 20 0 EEADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2n[nH]nc2cc1F ZINC000753800417 577793880 /nfs/dbraw/zinc/79/38/80/577793880.db2.gz SEKBKUHPZONPPT-UHFFFAOYSA-N -1 1 332.242 2.220 20 0 EEADMM CC[C@H](CCOC)OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000754583220 577809072 /nfs/dbraw/zinc/80/90/72/577809072.db2.gz KSJPOPHELVSVTQ-LLVKDONJSA-N -1 1 347.433 2.328 20 0 EEADMM COc1ccc(NC(=O)NCCC2CCC2)cc1[N-]S(C)(=O)=O ZINC000755823120 577832404 /nfs/dbraw/zinc/83/24/04/577832404.db2.gz LRVAGYCEIRFJMC-UHFFFAOYSA-N -1 1 341.433 2.378 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CC(C)C)CC2)co1 ZINC000755971853 577835506 /nfs/dbraw/zinc/83/55/06/577835506.db2.gz RILIKIYSLNMMRW-UHFFFAOYSA-N -1 1 328.434 2.086 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 ZINC000744508478 577899137 /nfs/dbraw/zinc/89/91/37/577899137.db2.gz XPBRQTWRDMJJEE-LLVKDONJSA-N -1 1 335.400 2.231 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCc3c[nH]nc3C2)c1 ZINC000745628223 577916249 /nfs/dbraw/zinc/91/62/49/577916249.db2.gz VJVCBMMCGTYRQO-AWEZNQCLSA-N -1 1 328.368 2.209 20 0 EEADMM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000747368354 577942978 /nfs/dbraw/zinc/94/29/78/577942978.db2.gz SKCKSKDYEAGRQU-KPZWWZAWSA-N -1 1 337.383 2.360 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC[C@H]1CCCC1=O ZINC000748180094 577956692 /nfs/dbraw/zinc/95/66/92/577956692.db2.gz BMLCAHKRHUDBSU-GFCCVEGCSA-N -1 1 339.413 2.364 20 0 EEADMM C[S@](=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000739962172 578075624 /nfs/dbraw/zinc/07/56/24/578075624.db2.gz GBBPKVGKELBNQL-IBGZPJMESA-N -1 1 349.783 2.016 20 0 EEADMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000740142636 578082557 /nfs/dbraw/zinc/08/25/57/578082557.db2.gz SGXAOOWQTQONCN-UHFFFAOYSA-N -1 1 335.404 2.353 20 0 EEADMM CC(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000735487948 578155241 /nfs/dbraw/zinc/15/52/41/578155241.db2.gz CPKPBKXAQOIUCP-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000735487948 578155242 /nfs/dbraw/zinc/15/52/42/578155242.db2.gz CPKPBKXAQOIUCP-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c1Cl ZINC000735502000 578156231 /nfs/dbraw/zinc/15/62/31/578156231.db2.gz BKYQSPPAYRCGNT-SECBINFHSA-N -1 1 329.834 2.199 20 0 EEADMM CC(C)COc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735844110 578170919 /nfs/dbraw/zinc/17/09/19/578170919.db2.gz HURXXACDHGGGNU-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)COc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735844110 578170920 /nfs/dbraw/zinc/17/09/20/578170920.db2.gz HURXXACDHGGGNU-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)COc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000735844433 578170942 /nfs/dbraw/zinc/17/09/42/578170942.db2.gz JWRLDIGWJYLRKE-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)COc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000735844433 578170943 /nfs/dbraw/zinc/17/09/43/578170943.db2.gz JWRLDIGWJYLRKE-UHFFFAOYSA-N -1 1 325.376 2.304 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735913372 578173540 /nfs/dbraw/zinc/17/35/40/578173540.db2.gz BQHCUXZVEKUQDZ-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735913372 578173541 /nfs/dbraw/zinc/17/35/41/578173541.db2.gz BQHCUXZVEKUQDZ-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2CCCC[C@@H]12 ZINC000736277271 578193016 /nfs/dbraw/zinc/19/30/16/578193016.db2.gz LYYHSYPEAIYLOV-OSAQELSMSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2CCCC[C@@H]12 ZINC000736277271 578193017 /nfs/dbraw/zinc/19/30/17/578193017.db2.gz LYYHSYPEAIYLOV-OSAQELSMSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1ccccc1OC(F)F ZINC000736466453 578205944 /nfs/dbraw/zinc/20/59/44/578205944.db2.gz YANNQUPNMHLANM-UHFFFAOYSA-N -1 1 330.331 2.412 20 0 EEADMM CCc1cccc2c(CCNc3nccnc3-c3nnn[n-]3)c[nH]c21 ZINC000736696163 578218723 /nfs/dbraw/zinc/21/87/23/578218723.db2.gz WFVNUAAOOLQYLE-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1cccc2c(CCNc3nccnc3-c3nn[n-]n3)c[nH]c21 ZINC000736696163 578218724 /nfs/dbraw/zinc/21/87/24/578218724.db2.gz WFVNUAAOOLQYLE-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(C(=O)[O-])co3)CC2)C1 ZINC000736789142 578223610 /nfs/dbraw/zinc/22/36/10/578223610.db2.gz KFROFVZSWQHARI-ZDUSSCGKSA-N -1 1 334.416 2.448 20 0 EEADMM CC[C@@](NCc1cc(=O)n2ccsc2n1)(C(=O)[O-])c1ccccc1 ZINC000736918543 578229547 /nfs/dbraw/zinc/22/95/47/578229547.db2.gz UDACALLHYJNYNI-KRWDZBQOSA-N -1 1 343.408 2.236 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737336603 578251128 /nfs/dbraw/zinc/25/11/28/578251128.db2.gz ZTHHHQNGZULSIH-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737336603 578251129 /nfs/dbraw/zinc/25/11/29/578251129.db2.gz ZTHHHQNGZULSIH-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM CN(C(=O)c1[nH]nc2ccc(Br)cc21)C(C)(C)C(=O)[O-] ZINC000737347635 578251824 /nfs/dbraw/zinc/25/18/24/578251824.db2.gz APAQAESCVWPUBR-UHFFFAOYSA-N -1 1 340.177 2.261 20 0 EEADMM Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC000737435953 578257475 /nfs/dbraw/zinc/25/74/75/578257475.db2.gz OMTHCTHGJCYUOM-AWEZNQCLSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1cccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC000737435953 578257476 /nfs/dbraw/zinc/25/74/76/578257476.db2.gz OMTHCTHGJCYUOM-AWEZNQCLSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1nn(-c2ccccc2)c(CS[C@H](C)[C@H](C)O)c1-c1nn[n-]n1 ZINC000822486552 599131589 /nfs/dbraw/zinc/13/15/89/599131589.db2.gz OHGMOCDBUBOHME-NWDGAFQWSA-N -1 1 344.444 2.363 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(C[C@H]2CCCOC2)c2ccc(Cl)cc12 ZINC000823657059 607259396 /nfs/dbraw/zinc/25/93/96/607259396.db2.gz MPLUUTASYQFRNP-SNVBAGLBSA-N -1 1 345.790 2.262 20 0 EEADMM COc1cc(OC)c(OC)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821724032 607318268 /nfs/dbraw/zinc/31/82/68/607318268.db2.gz OKMDTZHXNCLYOG-UHFFFAOYSA-N -1 1 331.332 2.098 20 0 EEADMM COc1cc(OC)c(OC)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821724032 607318269 /nfs/dbraw/zinc/31/82/69/607318269.db2.gz OKMDTZHXNCLYOG-UHFFFAOYSA-N -1 1 331.332 2.098 20 0 EEADMM CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821014757 599337810 /nfs/dbraw/zinc/33/78/10/599337810.db2.gz KWWVNCHCXBCZLO-SECBINFHSA-N -1 1 343.840 2.329 20 0 EEADMM CCn1cc(CN(C)c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000821565516 599557929 /nfs/dbraw/zinc/55/79/29/599557929.db2.gz WHERWRGMCKQGIJ-UHFFFAOYSA-N -1 1 334.387 2.268 20 0 EEADMM CCn1cc(CN(C)c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000821565516 599557930 /nfs/dbraw/zinc/55/79/30/599557930.db2.gz WHERWRGMCKQGIJ-UHFFFAOYSA-N -1 1 334.387 2.268 20 0 EEADMM CSCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821960508 599651255 /nfs/dbraw/zinc/65/12/55/599651255.db2.gz ABFYHYRHYMPLGU-UHFFFAOYSA-N -1 1 347.400 2.469 20 0 EEADMM CSCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821960508 599651256 /nfs/dbraw/zinc/65/12/56/599651256.db2.gz ABFYHYRHYMPLGU-UHFFFAOYSA-N -1 1 347.400 2.469 20 0 EEADMM CO[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)C(C)(C)C ZINC000821676922 599687218 /nfs/dbraw/zinc/68/72/18/599687218.db2.gz JYIXNQNSOGSCJY-LBPRGKRZSA-N -1 1 327.392 2.283 20 0 EEADMM CO[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)C(C)(C)C ZINC000821676922 599687219 /nfs/dbraw/zinc/68/72/19/599687219.db2.gz JYIXNQNSOGSCJY-LBPRGKRZSA-N -1 1 327.392 2.283 20 0 EEADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000328428379 599857758 /nfs/dbraw/zinc/85/77/58/599857758.db2.gz UMIIVKOYPFPNNT-MRXNPFEDSA-N -1 1 336.347 2.366 20 0 EEADMM Cc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c(Br)c1 ZINC000042707404 600375794 /nfs/dbraw/zinc/37/57/94/600375794.db2.gz JWHABATWNIBZOL-JTQLQIEISA-N -1 1 343.221 2.349 20 0 EEADMM CCn1nc2c(cc1=O)CN([C@@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC000830445605 600827264 /nfs/dbraw/zinc/82/72/64/600827264.db2.gz OYKFLTQOGIUKFQ-MRXNPFEDSA-N -1 1 347.802 2.101 20 0 EEADMM Cc1ccc2c(CN3CCSC[C@@H]3CC(=O)[O-])cc(=O)oc2c1 ZINC000320384256 601017228 /nfs/dbraw/zinc/01/72/28/601017228.db2.gz WCKQHYCQHLVFKB-ZDUSSCGKSA-N -1 1 333.409 2.494 20 0 EEADMM C[C@@](NCC(=O)Nc1nc2ccc(F)cc2s1)(C(=O)[O-])C1CC1 ZINC000827729242 601039958 /nfs/dbraw/zinc/03/99/58/601039958.db2.gz YJDMWFXCLKJCIX-HNNXBMFYSA-N -1 1 337.376 2.217 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000827355802 601088818 /nfs/dbraw/zinc/08/88/18/601088818.db2.gz MMGOYNRVZMHTRP-TZNOJPMFSA-N -1 1 342.848 2.422 20 0 EEADMM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccccc1F ZINC000831945510 601150122 /nfs/dbraw/zinc/15/01/22/601150122.db2.gz JHIUBLPHCIFABE-UHFFFAOYSA-N -1 1 331.346 2.395 20 0 EEADMM CC(=O)c1ccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000825951460 601338450 /nfs/dbraw/zinc/33/84/50/601338450.db2.gz KATISBLBKVMIAE-GFCCVEGCSA-N -1 1 349.456 2.067 20 0 EEADMM CC(C)Oc1nnc(SCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000824338108 607543380 /nfs/dbraw/zinc/54/33/80/607543380.db2.gz PSOLDZISEDQJLT-UHFFFAOYSA-N -1 1 335.418 2.193 20 0 EEADMM CC(C)Oc1nnc(SCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000824338108 607543381 /nfs/dbraw/zinc/54/33/81/607543381.db2.gz PSOLDZISEDQJLT-UHFFFAOYSA-N -1 1 335.418 2.193 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000826742230 602095120 /nfs/dbraw/zinc/09/51/20/602095120.db2.gz XEOJOYORTPEEBZ-HNNXBMFYSA-N -1 1 327.469 2.393 20 0 EEADMM O=C(Nc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1)C1CC1 ZINC000826454900 607547790 /nfs/dbraw/zinc/54/77/90/607547790.db2.gz PXGVOHKRFYUPSK-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM O=C(Nc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1)C1CC1 ZINC000826454900 607547792 /nfs/dbraw/zinc/54/77/92/607547792.db2.gz PXGVOHKRFYUPSK-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM O=C1CCCN1c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826480960 607547806 /nfs/dbraw/zinc/54/78/06/607547806.db2.gz ZWDYLUBXRBIKGX-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=C1CCCN1c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826480960 607547808 /nfs/dbraw/zinc/54/78/08/607547808.db2.gz ZWDYLUBXRBIKGX-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM Cc1ccc(Cl)c(N)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826288512 607614350 /nfs/dbraw/zinc/61/43/50/607614350.db2.gz KANLUASUQYEJJC-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM Cc1ccc(Cl)c(N)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826288512 607614351 /nfs/dbraw/zinc/61/43/51/607614351.db2.gz KANLUASUQYEJJC-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM COc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)[nH]n2)cc1 ZINC000832116380 604303833 /nfs/dbraw/zinc/30/38/33/604303833.db2.gz SHQSJERNSBIZBL-UHFFFAOYSA-N -1 1 340.339 2.374 20 0 EEADMM C[C@@H]1CCc2c(sc3nc(CN4CC[C@H](C(=O)[O-])C4)nc(N)c32)C1 ZINC000820245613 604907904 /nfs/dbraw/zinc/90/79/04/604907904.db2.gz OSXKMSKUDVCUGH-ZJUUUORDSA-N -1 1 346.456 2.305 20 0 EEADMM CSCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000832766932 604962450 /nfs/dbraw/zinc/96/24/50/604962450.db2.gz RSFLCNUWWQTDIH-CQSZACIVSA-N -1 1 328.865 2.446 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC[C@@H]1CC(=O)[O-] ZINC000833746317 604970236 /nfs/dbraw/zinc/97/02/36/604970236.db2.gz YOLFAFYAMNCKBI-OAHLLOKOSA-N -1 1 345.443 2.473 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)nc1)c1cccnc1 ZINC000833170533 604993931 /nfs/dbraw/zinc/99/39/31/604993931.db2.gz XGPZELFJHQTFMU-CYBMUJFWSA-N -1 1 341.289 2.333 20 0 EEADMM COCCCOc1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826157225 607729852 /nfs/dbraw/zinc/72/98/52/607729852.db2.gz MEJPXVGJZMBYBD-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COCCCOc1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826157225 607729854 /nfs/dbraw/zinc/72/98/54/607729854.db2.gz MEJPXVGJZMBYBD-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536270 605058029 /nfs/dbraw/zinc/05/80/29/605058029.db2.gz QKEOFWUATVVSHQ-WDEREUQCSA-N -1 1 347.371 2.174 20 0 EEADMM CCc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833670324 605115625 /nfs/dbraw/zinc/11/56/25/605115625.db2.gz MJFNMODDDRWABW-HNNXBMFYSA-N -1 1 332.444 2.189 20 0 EEADMM C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)CCN1CCC(=O)[O-] ZINC000833618474 605276928 /nfs/dbraw/zinc/27/69/28/605276928.db2.gz OPDFNEOUUXLLQU-IRBQFCFKSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833617546 605278508 /nfs/dbraw/zinc/27/85/08/605278508.db2.gz DPZGBDIAYBSCQH-SFAKSCPVSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833478742 605289673 /nfs/dbraw/zinc/28/96/73/605289673.db2.gz VKKNEZLAFBSSJS-IINYFYTJSA-N -1 1 328.359 2.231 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(CCc3cccs3)CC2)O1 ZINC000833580719 605322504 /nfs/dbraw/zinc/32/25/04/605322504.db2.gz RRNWPKAVDZQQAR-AWEZNQCLSA-N -1 1 336.457 2.056 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN3CCC4(C[C@H]4C(=O)[O-])CC3)C2)c1 ZINC000833752442 605348308 /nfs/dbraw/zinc/34/83/08/605348308.db2.gz JWPMUJJJFLKAHE-IRXDYDNUSA-N -1 1 342.439 2.455 20 0 EEADMM Cc1nn(-c2ccccc2)c(CSC[C@H](C)CO)c1-c1nn[n-]n1 ZINC000822486806 606050209 /nfs/dbraw/zinc/05/02/09/606050209.db2.gz SQFLESQOBLULQX-LLVKDONJSA-N -1 1 344.444 2.222 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000820920989 606158320 /nfs/dbraw/zinc/15/83/20/606158320.db2.gz URUPAZNJBXAGCQ-ZDUSSCGKSA-N -1 1 340.391 2.181 20 0 EEADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000820920989 606158323 /nfs/dbraw/zinc/15/83/23/606158323.db2.gz URUPAZNJBXAGCQ-ZDUSSCGKSA-N -1 1 340.391 2.181 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000823289140 606196125 /nfs/dbraw/zinc/19/61/25/606196125.db2.gz CLRYCHBBTBAYLY-QWHCGFSZSA-N -1 1 339.330 2.454 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000823289204 606294397 /nfs/dbraw/zinc/29/43/97/606294397.db2.gz FYFNHQPFTRNDTI-KUHUBIRLSA-N -1 1 347.378 2.415 20 0 EEADMM Clc1ccc(Sc2nnnn2C2CCCC2)nc1-c1nnn[n-]1 ZINC000822582426 606445378 /nfs/dbraw/zinc/44/53/78/606445378.db2.gz SUEOLBIASFLDKG-UHFFFAOYSA-N -1 1 349.811 2.168 20 0 EEADMM Clc1ccc(Sc2nnnn2C2CCCC2)nc1-c1nn[n-]n1 ZINC000822582426 606445379 /nfs/dbraw/zinc/44/53/79/606445379.db2.gz SUEOLBIASFLDKG-UHFFFAOYSA-N -1 1 349.811 2.168 20 0 EEADMM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819817655 606509574 /nfs/dbraw/zinc/50/95/74/606509574.db2.gz JTCNTGSCNNGCCS-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819817655 606509576 /nfs/dbraw/zinc/50/95/76/606509576.db2.gz JTCNTGSCNNGCCS-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822329055 606574567 /nfs/dbraw/zinc/57/45/67/606574567.db2.gz XGRFJPIGVXJPGC-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822329055 606574569 /nfs/dbraw/zinc/57/45/69/606574569.db2.gz XGRFJPIGVXJPGC-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM O=C(OC[C@H]1Cc2ccccc2O1)c1sccc1-c1nn[n-]n1 ZINC000823400282 606760740 /nfs/dbraw/zinc/76/07/40/606760740.db2.gz ARKGLMRYRBDSEB-SNVBAGLBSA-N -1 1 328.353 2.089 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000822369981 607072490 /nfs/dbraw/zinc/07/24/90/607072490.db2.gz QOFOIVJWKWDBEX-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000822369981 607072491 /nfs/dbraw/zinc/07/24/91/607072491.db2.gz QOFOIVJWKWDBEX-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821877603 607133063 /nfs/dbraw/zinc/13/30/63/607133063.db2.gz NHQCYPOFHYOLBQ-NSHDSACASA-N -1 1 341.396 2.354 20 0 EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821877603 607133065 /nfs/dbraw/zinc/13/30/65/607133065.db2.gz NHQCYPOFHYOLBQ-NSHDSACASA-N -1 1 341.396 2.354 20 0 EEADMM C[C@H](C1CC1)N(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000824377586 607864287 /nfs/dbraw/zinc/86/42/87/607864287.db2.gz HVSHRXFHPXVIAK-SNVBAGLBSA-N -1 1 345.378 2.174 20 0 EEADMM C[C@H](C1CC1)N(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000824377586 607864288 /nfs/dbraw/zinc/86/42/88/607864288.db2.gz HVSHRXFHPXVIAK-SNVBAGLBSA-N -1 1 345.378 2.174 20 0 EEADMM Cc1ccccc1CNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307474 607864371 /nfs/dbraw/zinc/86/43/71/607864371.db2.gz JYOMFKCZOQCSGC-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM Cc1ccccc1CNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307474 607864372 /nfs/dbraw/zinc/86/43/72/607864372.db2.gz JYOMFKCZOQCSGC-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000826514071 607897688 /nfs/dbraw/zinc/89/76/88/607897688.db2.gz GNIQLUICNAVOJN-LBPRGKRZSA-N -1 1 338.375 2.254 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000826514071 607897689 /nfs/dbraw/zinc/89/76/89/607897689.db2.gz GNIQLUICNAVOJN-LBPRGKRZSA-N -1 1 338.375 2.254 20 0 EEADMM CCOCCC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCC1 ZINC000825590051 607999290 /nfs/dbraw/zinc/99/92/90/607999290.db2.gz NWBFKVMFZLGVHG-UHFFFAOYSA-N -1 1 331.376 2.108 20 0 EEADMM CC(=O)CCCCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823966990 608170154 /nfs/dbraw/zinc/17/01/54/608170154.db2.gz FWYDHKSTBSSOGZ-UHFFFAOYSA-N -1 1 331.376 2.440 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826297070 608405044 /nfs/dbraw/zinc/40/50/44/608405044.db2.gz UKYMMHBEFGJJBY-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826297070 608405045 /nfs/dbraw/zinc/40/50/45/608405045.db2.gz UKYMMHBEFGJJBY-LBPRGKRZSA-N -1 1 325.376 2.153 20 0 EEADMM CO[C@@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826146232 608417272 /nfs/dbraw/zinc/41/72/72/608417272.db2.gz SEVIPVWXZGTRTC-GXFFZTMASA-N -1 1 325.376 2.037 20 0 EEADMM CO[C@@H]1CCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826146232 608417273 /nfs/dbraw/zinc/41/72/73/608417273.db2.gz SEVIPVWXZGTRTC-GXFFZTMASA-N -1 1 325.376 2.037 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC000824899508 608420689 /nfs/dbraw/zinc/42/06/89/608420689.db2.gz KNNWKBKLHOJSMO-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC000824899508 608420690 /nfs/dbraw/zinc/42/06/90/608420690.db2.gz KNNWKBKLHOJSMO-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377472 608423233 /nfs/dbraw/zinc/42/32/33/608423233.db2.gz TVAYVWXNOVJCSV-RDDDGLTNSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377472 608423235 /nfs/dbraw/zinc/42/32/35/608423235.db2.gz TVAYVWXNOVJCSV-RDDDGLTNSA-N -1 1 331.742 2.417 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3ccc(-c4nnn[n-]4)nn3)c2c1 ZINC000826352994 608425305 /nfs/dbraw/zinc/42/53/05/608425305.db2.gz XBOWYPQHXOCOKR-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2[nH]cc(CCNc3ccc(-c4nn[n-]n4)nn3)c2c1 ZINC000826352994 608425306 /nfs/dbraw/zinc/42/53/06/608425306.db2.gz XBOWYPQHXOCOKR-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM CC(C)[C@@H](O)C1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000824199398 608586415 /nfs/dbraw/zinc/58/64/15/608586415.db2.gz JLBFQPRUCWUIFN-OAHLLOKOSA-N -1 1 339.403 2.019 20 0 EEADMM CC(C)[C@@H](O)C1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000824199398 608586416 /nfs/dbraw/zinc/58/64/16/608586416.db2.gz JLBFQPRUCWUIFN-OAHLLOKOSA-N -1 1 339.403 2.019 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3cc(C)ccc3F)C2)c1[O-] ZINC000969500675 675075481 /nfs/dbraw/zinc/07/54/81/675075481.db2.gz UIXOOTKBNBQFJV-NSHDSACASA-N -1 1 346.406 2.122 20 0 EEADMM CCCCC1CCC(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000970651599 676050105 /nfs/dbraw/zinc/05/01/05/676050105.db2.gz QZCYYQJYMICACA-YMAMQOFZSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020808596 675506071 /nfs/dbraw/zinc/50/60/71/675506071.db2.gz KSDPVQOUUXFGOU-QWHCGFSZSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001020978490 675627592 /nfs/dbraw/zinc/62/75/92/675627592.db2.gz IZHWXQOCIMIQTB-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM CCCc1cc(NC(=O)NCCn2c(CC)n[n-]c2=S)n(C)n1 ZINC000091095402 676879902 /nfs/dbraw/zinc/87/99/02/676879902.db2.gz VBZMIVWNTORZPP-UHFFFAOYSA-N -1 1 337.453 2.011 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C1CCCCC1 ZINC000866862673 677925633 /nfs/dbraw/zinc/92/56/33/677925633.db2.gz BAPMLGZSSDWWKS-QMMMGPOBSA-N -1 1 336.255 2.419 20 0 EEADMM CCC[C@H](NC(=O)c1ccc(OC(F)F)cc1F)c1nn[n-]n1 ZINC000934314497 678246805 /nfs/dbraw/zinc/24/68/05/678246805.db2.gz ZEOIKWAGYMJNPB-JTQLQIEISA-N -1 1 329.282 2.211 20 0 EEADMM O=C(C[N-]C(=O)C(F)(F)C(F)F)Nc1cccc2cccnc21 ZINC000176340707 678501756 /nfs/dbraw/zinc/50/17/56/678501756.db2.gz BOEKCTIBQZOXFJ-UHFFFAOYSA-N -1 1 329.253 2.190 20 0 EEADMM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]c1ccn(C)c(=O)n1 ZINC000892317954 678761802 /nfs/dbraw/zinc/76/18/02/678761802.db2.gz CLYULFUKABRJIV-UHFFFAOYSA-N -1 1 337.326 2.132 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(C)o1 ZINC000984800758 685276557 /nfs/dbraw/zinc/27/65/57/685276557.db2.gz DHOTXABOLGWMLU-QWHCGFSZSA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c2cccnc12 ZINC000909540559 685415327 /nfs/dbraw/zinc/41/53/27/685415327.db2.gz FCSGZBHMSQOXMI-ZDUSSCGKSA-N -1 1 327.384 2.278 20 0 EEADMM Cc1ccc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c2cccnc12 ZINC000909540559 685415330 /nfs/dbraw/zinc/41/53/30/685415330.db2.gz FCSGZBHMSQOXMI-ZDUSSCGKSA-N -1 1 327.384 2.278 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000937312189 681255847 /nfs/dbraw/zinc/25/58/47/681255847.db2.gz AWVOWSXNSUGTKO-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCc1nc(C2CC2)no1)c1ccc(Br)cc1[O-] 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EEADMM Cc1cccc(CO)c1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC001260453805 1319895795 /nfs/dbraw/zinc/89/57/95/1319895795.db2.gz WRWIVCVXVNQSMT-UHFFFAOYSA-N -1 1 345.376 2.395 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)nc2)cc1C ZINC001260632571 1319925357 /nfs/dbraw/zinc/92/53/57/1319925357.db2.gz KLJXPQRPISLLEB-UHFFFAOYSA-N -1 1 335.385 2.158 20 0 EEADMM Cc1ccc2nc(Cl)cc(Nc3c(O)[nH]c(=O)[n-]c3=S)c2c1 ZINC001160848946 1320290079 /nfs/dbraw/zinc/29/00/79/1320290079.db2.gz MALYFANERVHVBX-NSHDSACASA-N -1 1 334.788 2.144 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC001161384202 1320482373 /nfs/dbraw/zinc/48/23/73/1320482373.db2.gz JLXVJUMYRLVFTF-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM Cc1cc2c(c(NCc3cccc(C(F)(F)F)n3)n1)C(=O)[N-]C2=O ZINC001163183233 1321061347 /nfs/dbraw/zinc/06/13/47/1321061347.db2.gz FDHFJFKIIGTZLY-UHFFFAOYSA-N -1 1 336.273 2.300 20 0 EEADMM CSc1nc(CNC(=O)c2cc3ccccc3[nH]c2=O)cc(=O)[n-]1 ZINC001163570958 1321160385 /nfs/dbraw/zinc/16/03/85/1321160385.db2.gz OIOZKEXXOUFUPH-UHFFFAOYSA-N -1 1 342.380 2.088 20 0 EEADMM COc1ccc2c(C)nc(NCC[N-]C(=O)C(F)(F)F)nc2c1 ZINC001164238121 1321327192 /nfs/dbraw/zinc/32/71/92/1321327192.db2.gz OLZVNYOEHUZIIV-UHFFFAOYSA-N -1 1 328.294 2.037 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001262879357 1322389251 /nfs/dbraw/zinc/38/92/51/1322389251.db2.gz ZZFRMEGLCJSPTF-WDEREUQCSA-N -1 1 349.822 2.099 20 0 EEADMM N[C@@]1(C(F)(F)F)CCN(Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001206229488 1323432046 /nfs/dbraw/zinc/43/20/46/1323432046.db2.gz MGQPHBOZZMEVBT-HNNXBMFYSA-N -1 1 341.333 2.191 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001290994329 1328299472 /nfs/dbraw/zinc/29/94/72/1328299472.db2.gz DYZJFCRZMDVEIW-UHFFFAOYSA-N -1 1 342.334 2.488 20 0 EEADMM COc1cc2[n-]cc(C(=O)NCc3ccoc3)c(=O)c2c(OC)c1 ZINC001292228889 1328372209 /nfs/dbraw/zinc/37/22/09/1328372209.db2.gz UOYKMJKCUAIHDO-UHFFFAOYSA-N -1 1 328.324 2.068 20 0 EEADMM O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1ncc(Br)cc1[O-] ZINC001608530376 1351710966 /nfs/dbraw/zinc/71/09/66/1351710966.db2.gz SKKGCHUXHPQSJQ-LURJTMIESA-N -1 1 343.099 2.045 20 0 EEADMM C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)[C@@H](C)O1 ZINC001590208941 1349200393 /nfs/dbraw/zinc/20/03/93/1349200393.db2.gz YKWGXRKBYHOASR-ZXFLCMHBSA-N -1 1 328.298 2.258 20 0 EEADMM C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)[C@@H](C)O1 ZINC001590208941 1349200399 /nfs/dbraw/zinc/20/03/99/1349200399.db2.gz YKWGXRKBYHOASR-ZXFLCMHBSA-N -1 1 328.298 2.258 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592629909 1349680671 /nfs/dbraw/zinc/68/06/71/1349680671.db2.gz GGBHUKPLXHKLJZ-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM Cc1cc(CN)oc1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600192424 1349989381 /nfs/dbraw/zinc/98/93/81/1349989381.db2.gz YNOQNTRBQGWQBP-SNVBAGLBSA-N -1 1 349.412 2.221 20 0 EEADMM Cc1cc(CN)oc1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001600192423 1349989545 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O=C([O-])C1CC2(C1)C[N@@H+](CCCCC1CCOCC1)C[C@@H]2C(=O)[O-] ZINC001608609912 1351725988 /nfs/dbraw/zinc/72/59/88/1351725988.db2.gz FLFMXPCYADINLX-SWKXRBFHSA-N -1 1 339.432 2.081 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)on1 ZINC001608837868 1351775181 /nfs/dbraw/zinc/77/51/81/1351775181.db2.gz GZBLXZKOFATAIO-UHFFFAOYSA-N -1 1 348.315 2.207 20 0 EEADMM O=C([O-])c1cc(CN2CCC(CO)(Cc3ccccc3)CC2)on1 ZINC001608841830 1351776847 /nfs/dbraw/zinc/77/68/47/1351776847.db2.gz KUVXABQVHXKOGX-UHFFFAOYSA-N -1 1 330.384 2.190 20 0 EEADMM O=C([O-])c1cc2cc(NC(=O)C3CN([C@@H]4CCOC4)C3)ccc2s1 ZINC001608864848 1351781281 /nfs/dbraw/zinc/78/12/81/1351781281.db2.gz TVVHPHUAISBPDH-CYBMUJFWSA-N -1 1 346.408 2.259 20 0 EEADMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319920112 1332797667 /nfs/dbraw/zinc/79/76/67/1332797667.db2.gz TYMJDTLFOQCTPW-WCBMZHEXSA-N -1 1 339.244 2.482 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(C[C@@H](O)CC(F)(F)F)C2)s1 ZINC001608968196 1351804028 /nfs/dbraw/zinc/80/40/28/1351804028.db2.gz YLKFOLMLROFCPE-BDAKNGLRSA-N -1 1 338.351 2.334 20 0 EEADMM CC(C)Cc1ccc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC001609097819 1351842820 /nfs/dbraw/zinc/84/28/20/1351842820.db2.gz WZWZKCHVYVHZQR-UHFFFAOYSA-N -1 1 337.383 2.110 20 0 EEADMM CCOC(=O)c1ncc(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC001323346389 1333445801 /nfs/dbraw/zinc/44/58/01/1333445801.db2.gz QGGKNHUOKQCLOW-UHFFFAOYSA-N -1 1 327.749 2.326 20 0 EEADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609110465 1351847021 /nfs/dbraw/zinc/84/70/21/1351847021.db2.gz PKVLRNRDXKUGAG-WCBMZHEXSA-N -1 1 349.441 2.232 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609114926 1351849088 /nfs/dbraw/zinc/84/90/88/1351849088.db2.gz CKEIIJFCADRREA-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609114926 1351849095 /nfs/dbraw/zinc/84/90/95/1351849095.db2.gz CKEIIJFCADRREA-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001609132173 1351854423 /nfs/dbraw/zinc/85/44/23/1351854423.db2.gz LKLUYOLRCGDAEQ-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001609132173 1351854426 /nfs/dbraw/zinc/85/44/26/1351854426.db2.gz LKLUYOLRCGDAEQ-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)[C@@H](c2ccco2)C1 ZINC001609168335 1351874242 /nfs/dbraw/zinc/87/42/42/1351874242.db2.gz YCFIJNPZXQYLPJ-SMDDNHRTSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)[C@@H](c2ccco2)C1 ZINC001609168335 1351874243 /nfs/dbraw/zinc/87/42/43/1351874243.db2.gz YCFIJNPZXQYLPJ-SMDDNHRTSA-N -1 1 338.371 2.468 20 0 EEADMM CCC1CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC001609201875 1351888866 /nfs/dbraw/zinc/88/88/66/1351888866.db2.gz SZVJBGOSAGZTIK-UHFFFAOYSA-N -1 1 344.444 2.343 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609204766 1351890712 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COCCNc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609327630 1351933591 /nfs/dbraw/zinc/93/35/91/1351933591.db2.gz XNEXOKNVQQPXSV-UHFFFAOYSA-N -1 1 342.359 2.079 20 0 EEADMM COCCNc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609327630 1351933596 /nfs/dbraw/zinc/93/35/96/1351933596.db2.gz XNEXOKNVQQPXSV-UHFFFAOYSA-N -1 1 342.359 2.079 20 0 EEADMM COc1ccc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)C(C)C)cc1 ZINC001609352973 1351943411 /nfs/dbraw/zinc/94/34/11/1351943411.db2.gz YDZTWQZAZZIBMV-OAHLLOKOSA-N -1 1 325.376 2.475 20 0 EEADMM COc1ccc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)C(C)C)cc1 ZINC001609352973 1351943414 /nfs/dbraw/zinc/94/34/14/1351943414.db2.gz YDZTWQZAZZIBMV-OAHLLOKOSA-N -1 1 325.376 2.475 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C)c2cnccc2C)c1-c1nnn[n-]1 ZINC001609439249 1351977657 /nfs/dbraw/zinc/97/76/57/1351977657.db2.gz UFTQWTCDBJTMIW-QMMMGPOBSA-N -1 1 344.404 2.218 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C)c2cnccc2C)c1-c1nn[n-]n1 ZINC001609439249 1351977661 /nfs/dbraw/zinc/97/76/61/1351977661.db2.gz UFTQWTCDBJTMIW-QMMMGPOBSA-N -1 1 344.404 2.218 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC001609444678 1351980662 /nfs/dbraw/zinc/98/06/62/1351980662.db2.gz NPDSNNFTZVBPQJ-UHFFFAOYSA-N -1 1 333.355 2.233 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC001609466358 1351987526 /nfs/dbraw/zinc/98/75/26/1351987526.db2.gz PYHURWBCIHZMLL-UHFFFAOYSA-N -1 1 348.326 2.372 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3c(c2)ncn3C)no1 ZINC001609466358 1351987530 /nfs/dbraw/zinc/98/75/30/1351987530.db2.gz PYHURWBCIHZMLL-UHFFFAOYSA-N -1 1 348.326 2.372 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001609465033 1351987988 /nfs/dbraw/zinc/98/79/88/1351987988.db2.gz GJTOZDBQSUZDER-SSDOTTSWSA-N -1 1 343.363 2.331 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001609465033 1351987989 /nfs/dbraw/zinc/98/79/89/1351987989.db2.gz GJTOZDBQSUZDER-SSDOTTSWSA-N -1 1 343.363 2.331 20 0 EEADMM Clc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc2c1OCCCO2 ZINC001609472545 1351990878 /nfs/dbraw/zinc/99/08/78/1351990878.db2.gz BPXFBUHDXGQYTI-UHFFFAOYSA-N -1 1 347.766 2.017 20 0 EEADMM Clc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc2c1OCCCO2 ZINC001609472545 1351990879 /nfs/dbraw/zinc/99/08/79/1351990879.db2.gz BPXFBUHDXGQYTI-UHFFFAOYSA-N -1 1 347.766 2.017 20 0 EEADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609562020 1352016570 /nfs/dbraw/zinc/01/65/70/1352016570.db2.gz NWVQQUCVSWVSTM-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609562020 1352016577 /nfs/dbraw/zinc/01/65/77/1352016577.db2.gz NWVQQUCVSWVSTM-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(c1cccs1)C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609584179 1352027163 /nfs/dbraw/zinc/02/71/63/1352027163.db2.gz UHUQRDDJSZHEKH-UHFFFAOYSA-N -1 1 340.412 2.423 20 0 EEADMM O=C(c1cccs1)C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609584179 1352027167 /nfs/dbraw/zinc/02/71/67/1352027167.db2.gz UHUQRDDJSZHEKH-UHFFFAOYSA-N -1 1 340.412 2.423 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1Cc2ccccc2C2(CCC2)C1 ZINC001609583446 1352026948 /nfs/dbraw/zinc/02/69/48/1352026948.db2.gz YSXZJUIYXFCWSH-UHFFFAOYSA-N -1 1 346.394 2.339 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1Cc2ccccc2C2(CCC2)C1 ZINC001609583446 1352026952 /nfs/dbraw/zinc/02/69/52/1352026952.db2.gz YSXZJUIYXFCWSH-UHFFFAOYSA-N -1 1 346.394 2.339 20 0 EEADMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c(C)n1C1CC1 ZINC001333424375 1336043339 /nfs/dbraw/zinc/04/33/39/1336043339.db2.gz JSYHSGSGKJUYPW-INIZCTEOSA-N -1 1 336.399 2.472 20 0 EEADMM C[C@H](NC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccs1 ZINC001609772416 1352081711 /nfs/dbraw/zinc/08/17/11/1352081711.db2.gz CVUXDECQMTWQNP-RYUDHWBXSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccoc1 ZINC001609782586 1352084181 /nfs/dbraw/zinc/08/41/81/1352084181.db2.gz VREJGMRKXUFUQN-LBPRGKRZSA-N -1 1 337.397 2.130 20 0 EEADMM C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccoc1 ZINC001609782585 1352084388 /nfs/dbraw/zinc/08/43/88/1352084388.db2.gz VREJGMRKXUFUQN-GFCCVEGCSA-N -1 1 337.397 2.130 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@H](c2cnn(C)c2)c2ccccc2)O1 ZINC001609829492 1352095979 /nfs/dbraw/zinc/09/59/79/1352095979.db2.gz LFJYYZVYQANLBT-RDJZCZTQSA-N -1 1 327.384 2.247 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCCCCCC1 ZINC001609866203 1352106123 /nfs/dbraw/zinc/10/61/23/1352106123.db2.gz CQHQDAWZRINESX-CQSZACIVSA-N -1 1 325.453 2.290 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001609868512 1352107125 /nfs/dbraw/zinc/10/71/25/1352107125.db2.gz QYOAVQUQFNSRDZ-OLZOCXBDSA-N -1 1 347.406 2.002 20 0 EEADMM CCC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(C)cc1 ZINC001609880633 1352110041 /nfs/dbraw/zinc/11/00/41/1352110041.db2.gz NEFAJMVXVGFLCR-OIQJVACTSA-N -1 1 327.384 2.324 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001341053809 1337277726 /nfs/dbraw/zinc/27/77/26/1337277726.db2.gz GWGRZTNYNMLSOM-MFKMUULPSA-N -1 1 349.822 2.334 20 0 EEADMM CCCCN(CCOC)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001341488700 1337292990 /nfs/dbraw/zinc/29/29/90/1337292990.db2.gz LAUCHBXTUXBZST-UHFFFAOYSA-N -1 1 339.827 2.489 20 0 EEADMM CC[C@@H]1CN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H](CC)O1 ZINC001609945222 1352126487 /nfs/dbraw/zinc/12/64/87/1352126487.db2.gz CCLXPZFEKGNVTO-BZUAXINKSA-N -1 1 337.416 2.014 20 0 EEADMM CCN1CCCC[C@@H]1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001610006801 1352138710 /nfs/dbraw/zinc/13/87/10/1352138710.db2.gz FUGUIXQCQYTQNV-APWZRJJASA-N -1 1 332.444 2.410 20 0 EEADMM CC[C@H](C)Oc1ccccc1C=CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347973102 1337528398 /nfs/dbraw/zinc/52/83/98/1337528398.db2.gz BSMXPDQIIQPWGS-JTMKOSTRSA-N -1 1 341.415 2.406 20 0 EEADMM CCOC(=O)C[C@H]1CCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001610016935 1352141883 /nfs/dbraw/zinc/14/18/83/1352141883.db2.gz CZEVXBOFWHHPHD-CQSZACIVSA-N -1 1 331.372 2.110 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847088570 1337863766 /nfs/dbraw/zinc/86/37/66/1337863766.db2.gz BQWGRVFSWFFBEO-RKDXNWHRSA-N -1 1 334.203 2.455 20 0 EEADMM CC[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)[C@@H](O)c1ccccc1 ZINC001352648590 1338019435 /nfs/dbraw/zinc/01/94/35/1338019435.db2.gz ZHVPVYRMZATMFB-AAEUAGOBSA-N -1 1 333.413 2.021 20 0 EEADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1[C@H](C)CCc1cccc(F)c1 ZINC001610162152 1352176189 /nfs/dbraw/zinc/17/61/89/1352176189.db2.gz JBZQZHXWTKUCPE-INWMFGNUSA-N -1 1 337.391 2.485 20 0 EEADMM CO[C@@H]1[C@H](C)[C@@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001610235364 1352191742 /nfs/dbraw/zinc/19/17/42/1352191742.db2.gz ILJIVLFKEFACEP-DFKRKDTASA-N -1 1 345.399 2.183 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc(CC(C)C)ns1 ZINC001100515634 1338464861 /nfs/dbraw/zinc/46/48/61/1338464861.db2.gz YPKSMJOTQDTKSC-UHFFFAOYSA-N -1 1 349.460 2.094 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1C1CC1 ZINC001610434429 1352221840 /nfs/dbraw/zinc/22/18/40/1352221840.db2.gz AIDUFOZCTCPLCU-CYBMUJFWSA-N -1 1 333.432 2.061 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@](C)(O)CC1 ZINC001610486425 1352230900 /nfs/dbraw/zinc/23/09/00/1352230900.db2.gz HUDOWUPPIKBRRZ-ACJLOTCBSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@](C)(O)CC1 ZINC001610486431 1352230970 /nfs/dbraw/zinc/23/09/70/1352230970.db2.gz HUDOWUPPIKBRRZ-UGSOOPFHSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1cc(NC(=O)[C@@H](C)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)on1 ZINC001610471412 1352228264 /nfs/dbraw/zinc/22/82/64/1352228264.db2.gz IELNKWKPWWYZDW-BPLDGKMQSA-N -1 1 343.383 2.110 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c(C)o1 ZINC001610478152 1352229336 /nfs/dbraw/zinc/22/93/36/1352229336.db2.gz REDATCFTGTWRGA-UHFFFAOYSA-N -1 1 325.342 2.161 20 0 EEADMM O=C([O-])[C@]12CN(Cc3nc(Cl)ccc3Cl)C[C@H]1COCC2 ZINC001610804103 1352277679 /nfs/dbraw/zinc/27/76/79/1352277679.db2.gz JHBUYYRVDFBSRP-LKFCYVNXSA-N -1 1 331.199 2.312 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3Cc4cc(F)ccc4O3)[nH]c21 ZINC001610849832 1352285142 /nfs/dbraw/zinc/28/51/42/1352285142.db2.gz BGTFPHSKODGMOS-CYBMUJFWSA-N -1 1 341.298 2.342 20 0 EEADMM C[C@@](CNC(=O)c1ccsc1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001430791476 1340333946 /nfs/dbraw/zinc/33/39/46/1340333946.db2.gz GQFDWZNKSZQWKS-KRWDZBQOSA-N -1 1 345.424 2.177 20 0 EEADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(NC(N)=O)cc1 ZINC001433610537 1341637715 /nfs/dbraw/zinc/63/77/15/1341637715.db2.gz IFTVFVZKCRDWIW-SECBINFHSA-N -1 1 341.371 2.041 20 0 EEADMM O=C(CNC(=O)c1ccc(F)cc1F)Nc1cc([O-])c(F)cc1F ZINC001434052129 1341753982 /nfs/dbraw/zinc/75/39/82/1341753982.db2.gz ZPFDORYGTXMGPH-UHFFFAOYSA-N -1 1 342.248 2.317 20 0 EEADMM C[C@H]1CCC[C@H]1NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434772707 1341938078 /nfs/dbraw/zinc/93/80/78/1341938078.db2.gz JFTWVIGOINZOIF-YFKTTZPYSA-N -1 1 335.370 2.416 20 0 EEADMM Cc1cnc2c(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)cnn2c1 ZINC001540813417 1342327347 /nfs/dbraw/zinc/32/73/47/1342327347.db2.gz QHNBKNYOBDVRIH-UHFFFAOYSA-N -1 1 334.339 2.386 20 0 EEADMM C[C@](O)(CNc1nc(-c2nn[nH]n2)c(Cl)s1)c1ccccc1 ZINC001575475041 1343804104 /nfs/dbraw/zinc/80/41/04/1343804104.db2.gz SFBVFEKVFCETAH-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@](O)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccccc1 ZINC001575475041 1343804107 /nfs/dbraw/zinc/80/41/07/1343804107.db2.gz SFBVFEKVFCETAH-ZDUSSCGKSA-N -1 1 336.808 2.296 20 0 EEADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@@H]2CCC[C@@H]21 ZINC001575702162 1343860238 /nfs/dbraw/zinc/86/02/38/1343860238.db2.gz DHTNEXDLMCVIOR-WCQYABFASA-N -1 1 327.392 2.304 20 0 EEADMM CC1(C)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@@H]2CCC[C@@H]21 ZINC001575702162 1343860243 /nfs/dbraw/zinc/86/02/43/1343860243.db2.gz DHTNEXDLMCVIOR-WCQYABFASA-N -1 1 327.392 2.304 20 0 EEADMM CCOC(=O)c1ccc(Sc2ccnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001578253215 1344255393 /nfs/dbraw/zinc/25/53/93/1344255393.db2.gz LQXIOYREBFMWEU-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CCSCc1ccccc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001578417395 1344276378 /nfs/dbraw/zinc/27/63/78/1344276378.db2.gz JMYHRUHNJOBNPE-UHFFFAOYSA-N -1 1 329.389 2.095 20 0 EEADMM COc1cc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)sn1 ZINC001579171434 1344347624 /nfs/dbraw/zinc/34/76/24/1344347624.db2.gz UAATTYSHBUWIBO-LBPRGKRZSA-N -1 1 339.442 2.090 20 0 EEADMM COCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC001579828288 1344419086 /nfs/dbraw/zinc/41/90/86/1344419086.db2.gz IQEPHNCHMYWYFS-UHFFFAOYSA-N -1 1 347.375 2.144 20 0 EEADMM COc1c(Cl)cccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579874736 1344423943 /nfs/dbraw/zinc/42/39/43/1344423943.db2.gz IGPHAAJOFPYCBM-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1c(Cl)cccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579874736 1344423946 /nfs/dbraw/zinc/42/39/46/1344423946.db2.gz IGPHAAJOFPYCBM-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(F)(F)c2ccc(F)cc2)c1 ZINC001580609395 1344542730 /nfs/dbraw/zinc/54/27/30/1344542730.db2.gz WSYDRZMOCXBYRH-UHFFFAOYSA-N -1 1 335.289 2.268 20 0 EEADMM Cc1ccsc1CCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001581304325 1344616245 /nfs/dbraw/zinc/61/62/45/1344616245.db2.gz FKZGQZNGHDZSTH-UHFFFAOYSA-N -1 1 348.819 2.258 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581686945 1344653941 /nfs/dbraw/zinc/65/39/41/1344653941.db2.gz WMOVZRRDXVCLLV-IUCAKERBSA-N -1 1 349.464 2.127 20 0 EEADMM O=C(CSc1ccc(O)cc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582132895 1344705050 /nfs/dbraw/zinc/70/50/50/1344705050.db2.gz GFHUDWCEBYISHL-UHFFFAOYSA-N -1 1 347.425 2.042 20 0 EEADMM O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001582359350 1344743716 /nfs/dbraw/zinc/74/37/16/1344743716.db2.gz YSILPPSOTMTGBZ-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001582359350 1344743722 /nfs/dbraw/zinc/74/37/22/1344743722.db2.gz YSILPPSOTMTGBZ-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1Cc2ccccc2CO1 ZINC001582549108 1344760585 /nfs/dbraw/zinc/76/05/85/1344760585.db2.gz PEAVXXSTZVDGPB-UHFFFAOYSA-N -1 1 342.384 2.085 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582552283 1344761968 /nfs/dbraw/zinc/76/19/68/1344761968.db2.gz MCIBRALRRRIVOQ-UHFFFAOYSA-N -1 1 335.371 2.072 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582552283 1344761975 /nfs/dbraw/zinc/76/19/75/1344761975.db2.gz MCIBRALRRRIVOQ-UHFFFAOYSA-N -1 1 335.371 2.072 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582583754 1344766489 /nfs/dbraw/zinc/76/64/89/1344766489.db2.gz JYGLVCOHWVFQID-LDYMZIIASA-N -1 1 331.282 2.024 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582583754 1344766490 /nfs/dbraw/zinc/76/64/90/1344766490.db2.gz JYGLVCOHWVFQID-LDYMZIIASA-N -1 1 331.282 2.024 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC001582638938 1344774849 /nfs/dbraw/zinc/77/48/49/1344774849.db2.gz AKCFBDRILSVVAU-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC001582638938 1344774853 /nfs/dbraw/zinc/77/48/53/1344774853.db2.gz AKCFBDRILSVVAU-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1Cc2ccccc21 ZINC001582653573 1344778072 /nfs/dbraw/zinc/77/80/72/1344778072.db2.gz KUVCSDOMBGIZFW-QMMMGPOBSA-N -1 1 332.776 2.255 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ncccn1 ZINC001582745121 1344788718 /nfs/dbraw/zinc/78/87/18/1344788718.db2.gz STIMMJIIJUKLOO-NSHDSACASA-N -1 1 341.400 2.086 20 0 EEADMM c1ccc(-c2cc(CNc3ccnc(-c4nnn[n-]4)c3)ccn2)cc1 ZINC001582817607 1344797210 /nfs/dbraw/zinc/79/72/10/1344797210.db2.gz PIVGQBTZJWBWRH-UHFFFAOYSA-N -1 1 329.367 2.358 20 0 EEADMM c1ccc(-c2cc(CNc3ccnc(-c4nn[n-]n4)c3)ccn2)cc1 ZINC001582817607 1344797214 /nfs/dbraw/zinc/79/72/14/1344797214.db2.gz PIVGQBTZJWBWRH-UHFFFAOYSA-N -1 1 329.367 2.358 20 0 EEADMM CC(=Cc1cnn(C(C)C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588772436 1348934399 /nfs/dbraw/zinc/93/43/99/1348934399.db2.gz OTINHYQWEBXEKC-UITAMQMPSA-N -1 1 326.364 2.009 20 0 EEADMM CC(=O)Nc1ccc(CCNc2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588875910 1348939677 /nfs/dbraw/zinc/93/96/77/1348939677.db2.gz DXLVLAYCMYYPDW-UHFFFAOYSA-N -1 1 337.387 2.183 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1C ZINC001588877862 1348940342 /nfs/dbraw/zinc/94/03/42/1348940342.db2.gz FPTHRAWQOUZSLD-UHFFFAOYSA-N -1 1 340.343 2.287 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1C ZINC001588877862 1348940348 /nfs/dbraw/zinc/94/03/48/1348940348.db2.gz FPTHRAWQOUZSLD-UHFFFAOYSA-N -1 1 340.343 2.287 20 0 EEADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccsc2-c2nnn[n-]2)CCO1 ZINC001589102294 1348959432 /nfs/dbraw/zinc/95/94/32/1348959432.db2.gz HNVDPLWBFADBDD-NSHDSACASA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccsc2-c2nn[n-]n2)CCO1 ZINC001589102294 1348959436 /nfs/dbraw/zinc/95/94/36/1348959436.db2.gz HNVDPLWBFADBDD-NSHDSACASA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)Oc1cccc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1 ZINC001589202628 1348970079 /nfs/dbraw/zinc/97/00/79/1348970079.db2.gz KMHAKFKWBVBROQ-UHFFFAOYSA-N -1 1 325.372 2.254 20 0 EEADMM CC(C)[C@H]1CCCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589507437 1348998257 /nfs/dbraw/zinc/99/82/57/1348998257.db2.gz KVPWUOXLESVQLD-OAHLLOKOSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)[C@H]1CCCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589507437 1348998262 /nfs/dbraw/zinc/99/82/62/1348998262.db2.gz KVPWUOXLESVQLD-OAHLLOKOSA-N -1 1 328.420 2.231 20 0 EEADMM CC(C)[C@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001589508581 1348998536 /nfs/dbraw/zinc/99/85/36/1348998536.db2.gz DVQYMKIUCBOTJY-ZETCQYMHSA-N -1 1 341.828 2.486 20 0 EEADMM CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC001589556196 1349003658 /nfs/dbraw/zinc/00/36/58/1349003658.db2.gz KICMMBSZJJBQMR-LBPRGKRZSA-N -1 1 346.435 2.100 20 0 EEADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC001589556196 1349003661 /nfs/dbraw/zinc/00/36/61/1349003661.db2.gz KICMMBSZJJBQMR-LBPRGKRZSA-N -1 1 346.435 2.100 20 0 EEADMM CC(C)c1cnc(COC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001589773188 1349034947 /nfs/dbraw/zinc/03/49/47/1349034947.db2.gz REVZEAQKEQPBDO-UHFFFAOYSA-N -1 1 344.400 2.128 20 0 EEADMM CC(C)c1cnc(COC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001589773188 1349034951 /nfs/dbraw/zinc/03/49/51/1349034951.db2.gz REVZEAQKEQPBDO-UHFFFAOYSA-N -1 1 344.400 2.128 20 0 EEADMM CC1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC(F)(F)C1 ZINC001590071335 1349136370 /nfs/dbraw/zinc/13/63/70/1349136370.db2.gz YAGOXADYKOBYQX-UHFFFAOYSA-N -1 1 334.739 2.351 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590087669 1349146915 /nfs/dbraw/zinc/14/69/15/1349146915.db2.gz WPJXAEWZNQGNFI-GOSISDBHSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)C[C@@]1(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590087669 1349146920 /nfs/dbraw/zinc/14/69/20/1349146920.db2.gz WPJXAEWZNQGNFI-GOSISDBHSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)CC[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590090776 1349149404 /nfs/dbraw/zinc/14/94/04/1349149404.db2.gz OSMLZDFEJUVLSR-JTQLQIEISA-N -1 1 325.376 2.179 20 0 EEADMM CC1(C)CC[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590090776 1349149409 /nfs/dbraw/zinc/14/94/09/1349149409.db2.gz OSMLZDFEJUVLSR-JTQLQIEISA-N -1 1 325.376 2.179 20 0 EEADMM C[C@@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC[C@H]1O ZINC001590134893 1349170823 /nfs/dbraw/zinc/17/08/23/1349170823.db2.gz LQWNNJJWOXGZGK-KRTXAFLBSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC[C@H]1O ZINC001590134893 1349170829 /nfs/dbraw/zinc/17/08/29/1349170829.db2.gz LQWNNJJWOXGZGK-KRTXAFLBSA-N -1 1 328.829 2.330 20 0 EEADMM CC1(c2ccc(CNc3cccnc3-c3nnn[n-]3)cc2)OCCO1 ZINC001590151397 1349176412 /nfs/dbraw/zinc/17/64/12/1349176412.db2.gz BGQMQDQZIUASJB-UHFFFAOYSA-N -1 1 338.371 2.093 20 0 EEADMM CC1(c2ccc(CNc3cccnc3-c3nn[n-]n3)cc2)OCCO1 ZINC001590151397 1349176418 /nfs/dbraw/zinc/17/64/18/1349176418.db2.gz BGQMQDQZIUASJB-UHFFFAOYSA-N -1 1 338.371 2.093 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590254954 1349230589 /nfs/dbraw/zinc/23/05/89/1349230589.db2.gz YHLAKLGCHNRNFN-RYUDHWBXSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590254954 1349230592 /nfs/dbraw/zinc/23/05/92/1349230592.db2.gz YHLAKLGCHNRNFN-RYUDHWBXSA-N -1 1 346.460 2.391 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590400452 1349303273 /nfs/dbraw/zinc/30/32/73/1349303273.db2.gz QKNRYDGGMDEADO-XVKPBYJWSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590400452 1349303278 /nfs/dbraw/zinc/30/32/78/1349303278.db2.gz QKNRYDGGMDEADO-XVKPBYJWSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590401265 1349303701 /nfs/dbraw/zinc/30/37/01/1349303701.db2.gz FDXYTHCOFGSJJN-QWRGUYRKSA-N -1 1 339.421 2.049 20 0 EEADMM CC[C@@H](C)CN(CC)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590411413 1349312759 /nfs/dbraw/zinc/31/27/59/1349312759.db2.gz XMFIIIBEAMXIHP-SNVBAGLBSA-N -1 1 343.478 2.126 20 0 EEADMM CC[C@H](C)c1ccc(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590417207 1349314768 /nfs/dbraw/zinc/31/47/68/1349314768.db2.gz YDJQQZZYYMLWMY-WDEREUQCSA-N -1 1 341.375 2.138 20 0 EEADMM CCC(CC)NC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001590435803 1349324760 /nfs/dbraw/zinc/32/47/60/1349324760.db2.gz KDVOEUNRPSGTPD-SECBINFHSA-N -1 1 349.464 2.059 20 0 EEADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(OC)c1OC ZINC001590473113 1349345428 /nfs/dbraw/zinc/34/54/28/1349345428.db2.gz KUNNFGDNMFRRIJ-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(OC)c1OC ZINC001590473113 1349345432 /nfs/dbraw/zinc/34/54/32/1349345432.db2.gz KUNNFGDNMFRRIJ-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590506683 1349359153 /nfs/dbraw/zinc/35/91/53/1349359153.db2.gz GOONUHVDMHKGLP-NXEZZACHSA-N -1 1 341.462 2.033 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001590538731 1349366552 /nfs/dbraw/zinc/36/65/52/1349366552.db2.gz LXEAIGMRRVMYKI-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001590538731 1349366559 /nfs/dbraw/zinc/36/65/59/1349366559.db2.gz LXEAIGMRRVMYKI-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCN(C(=O)c1cccc(F)n1)c1snc(C)c1-c1nnn[n-]1 ZINC001590617487 1349376533 /nfs/dbraw/zinc/37/65/33/1349376533.db2.gz NJHSJJQAJQLZFD-UHFFFAOYSA-N -1 1 347.379 2.223 20 0 EEADMM CCCN(C(=O)c1cccc(F)n1)c1snc(C)c1-c1nn[n-]n1 ZINC001590617487 1349376535 /nfs/dbraw/zinc/37/65/35/1349376535.db2.gz NJHSJJQAJQLZFD-UHFFFAOYSA-N -1 1 347.379 2.223 20 0 EEADMM CCCc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)no1 ZINC001590657413 1349383566 /nfs/dbraw/zinc/38/35/66/1349383566.db2.gz RJNAUWABKHJNMQ-UHFFFAOYSA-N -1 1 348.313 2.015 20 0 EEADMM CCCc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)no1 ZINC001590657413 1349383568 /nfs/dbraw/zinc/38/35/68/1349383568.db2.gz RJNAUWABKHJNMQ-UHFFFAOYSA-N -1 1 348.313 2.015 20 0 EEADMM CCOC(=O)CCCCCOC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590763327 1349397152 /nfs/dbraw/zinc/39/71/52/1349397152.db2.gz YJDDQBJTGZOAFO-UHFFFAOYSA-N -1 1 338.389 2.209 20 0 EEADMM CCOC(=O)CCCCCOC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590763327 1349397157 /nfs/dbraw/zinc/39/71/57/1349397157.db2.gz YJDDQBJTGZOAFO-UHFFFAOYSA-N -1 1 338.389 2.209 20 0 EEADMM CCOc1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1OC ZINC001590827920 1349401809 /nfs/dbraw/zinc/40/18/09/1349401809.db2.gz CBSGWOGTJWPYJA-UHFFFAOYSA-N -1 1 332.389 2.343 20 0 EEADMM CCOc1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1OC ZINC001590827920 1349401818 /nfs/dbraw/zinc/40/18/18/1349401818.db2.gz CBSGWOGTJWPYJA-UHFFFAOYSA-N -1 1 332.389 2.343 20 0 EEADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590851238 1349405958 /nfs/dbraw/zinc/40/59/58/1349405958.db2.gz UZKAYQLPJUPDCL-QWRGUYRKSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590851238 1349405960 /nfs/dbraw/zinc/40/59/60/1349405960.db2.gz UZKAYQLPJUPDCL-QWRGUYRKSA-N -1 1 332.433 2.008 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2cc(-c3nn[nH]n3)ccc2OC)n1 ZINC001590877986 1349408266 /nfs/dbraw/zinc/40/82/66/1349408266.db2.gz KEBINYZRAKOYTB-UHFFFAOYSA-N -1 1 344.400 2.226 20 0 EEADMM CCc1cc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)oc1CC ZINC001590882032 1349408993 /nfs/dbraw/zinc/40/89/93/1349408993.db2.gz VHMWWEHDQHWPPA-UHFFFAOYSA-N -1 1 333.373 2.398 20 0 EEADMM CCc1cc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)oc1CC ZINC001590882032 1349408996 /nfs/dbraw/zinc/40/89/96/1349408996.db2.gz VHMWWEHDQHWPPA-UHFFFAOYSA-N -1 1 333.373 2.398 20 0 EEADMM CN(CC1=CCSC1)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001591050957 1349435348 /nfs/dbraw/zinc/43/53/48/1349435348.db2.gz OTUXNWJCXWWKQQ-UHFFFAOYSA-N -1 1 340.412 2.093 20 0 EEADMM COCCOc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001591445995 1349484621 /nfs/dbraw/zinc/48/46/21/1349484621.db2.gz VWGLPINWNYPMSF-UHFFFAOYSA-N -1 1 329.385 2.438 20 0 EEADMM COCCOc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001591445995 1349484623 /nfs/dbraw/zinc/48/46/23/1349484623.db2.gz VWGLPINWNYPMSF-UHFFFAOYSA-N -1 1 329.385 2.438 20 0 EEADMM COc1ccc2c(c1)[C@@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)CC2 ZINC001591625878 1349518440 /nfs/dbraw/zinc/51/84/40/1349518440.db2.gz UWHMQXNQHMRZBV-ZDUSSCGKSA-N -1 1 340.339 2.242 20 0 EEADMM COc1ccc2c(c1)[C@@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)CC2 ZINC001591625878 1349518444 /nfs/dbraw/zinc/51/84/44/1349518444.db2.gz UWHMQXNQHMRZBV-ZDUSSCGKSA-N -1 1 340.339 2.242 20 0 EEADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cc2n[nH]cc21 ZINC001592031472 1349585405 /nfs/dbraw/zinc/58/54/05/1349585405.db2.gz NBVJMAXRRIHQCY-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cc2n[nH]cc21 ZINC001592031472 1349585410 /nfs/dbraw/zinc/58/54/10/1349585410.db2.gz NBVJMAXRRIHQCY-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1ccc2ccccc2c1OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001592207000 1349609607 /nfs/dbraw/zinc/60/96/07/1349609607.db2.gz UEHATFLNWKEUSN-NSHDSACASA-N -1 1 349.354 2.086 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001592279482 1349616580 /nfs/dbraw/zinc/61/65/80/1349616580.db2.gz YZWKJEHQRQRNBG-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001592279482 1349616582 /nfs/dbraw/zinc/61/65/82/1349616582.db2.gz YZWKJEHQRQRNBG-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1nn(C)c(NC(=O)CC(C)(C)c2ccccc2)c1-c1nnn[n-]1 ZINC001592434052 1349632040 /nfs/dbraw/zinc/63/20/40/1349632040.db2.gz OHCTVZXPSBUEOT-UHFFFAOYSA-N -1 1 339.403 2.215 20 0 EEADMM Cc1nn(C)c(NC(=O)CC(C)(C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592434052 1349632041 /nfs/dbraw/zinc/63/20/41/1349632041.db2.gz OHCTVZXPSBUEOT-UHFFFAOYSA-N -1 1 339.403 2.215 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC001592497096 1349637277 /nfs/dbraw/zinc/63/72/77/1349637277.db2.gz UZSISWJUIUHXLE-HTQZYQBOSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC001592497096 1349637278 /nfs/dbraw/zinc/63/72/78/1349637278.db2.gz UZSISWJUIUHXLE-HTQZYQBOSA-N -1 1 325.319 2.131 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001592501202 1349638248 /nfs/dbraw/zinc/63/82/48/1349638248.db2.gz DWOKUZRPBWJBQP-LZWOXQAQSA-N -1 1 335.367 2.084 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001592501202 1349638250 /nfs/dbraw/zinc/63/82/50/1349638250.db2.gz DWOKUZRPBWJBQP-LZWOXQAQSA-N -1 1 335.367 2.084 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCOc1ccccc1 ZINC001592504209 1349642611 /nfs/dbraw/zinc/64/26/11/1349642611.db2.gz YXTIMIPSJFYWRL-UHFFFAOYSA-N -1 1 328.328 2.394 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCOc1ccccc1 ZINC001592504209 1349642612 /nfs/dbraw/zinc/64/26/12/1349642612.db2.gz YXTIMIPSJFYWRL-UHFFFAOYSA-N -1 1 328.328 2.394 20 0 EEADMM Clc1scnc1-c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001592542645 1349653769 /nfs/dbraw/zinc/65/37/69/1349653769.db2.gz GGOYKXJTYCIBFK-UHFFFAOYSA-N -1 1 332.736 2.089 20 0 EEADMM Clc1scnc1-c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001592542645 1349653777 /nfs/dbraw/zinc/65/37/77/1349653777.db2.gz GGOYKXJTYCIBFK-UHFFFAOYSA-N -1 1 332.736 2.089 20 0 EEADMM Fc1ccc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c(F)c1 ZINC001592649004 1349694191 /nfs/dbraw/zinc/69/41/91/1349694191.db2.gz QGOMKCDCVXTBME-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM Fc1ccc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c(F)c1 ZINC001592649004 1349694195 /nfs/dbraw/zinc/69/41/95/1349694195.db2.gz QGOMKCDCVXTBME-UHFFFAOYSA-N -1 1 343.341 2.467 20 0 EEADMM Fc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001592649930 1349696319 /nfs/dbraw/zinc/69/63/19/1349696319.db2.gz ZLJNFBVRVJOGAV-UHFFFAOYSA-N -1 1 327.245 2.360 20 0 EEADMM Fc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001592649930 1349696320 /nfs/dbraw/zinc/69/63/20/1349696320.db2.gz ZLJNFBVRVJOGAV-UHFFFAOYSA-N -1 1 327.245 2.360 20 0 EEADMM Fc1cccc(-c2noc(CNc3cccc(-c4nnn[n-]4)n3)n2)c1 ZINC001592654186 1349699319 /nfs/dbraw/zinc/69/93/19/1349699319.db2.gz FDJITIUHYKQCEQ-UHFFFAOYSA-N -1 1 338.306 2.063 20 0 EEADMM Fc1cccc(-c2noc(CNc3cccc(-c4nn[n-]n4)n3)n2)c1 ZINC001592654186 1349699325 /nfs/dbraw/zinc/69/93/25/1349699325.db2.gz FDJITIUHYKQCEQ-UHFFFAOYSA-N -1 1 338.306 2.063 20 0 EEADMM O=C(CC[C@H]1CCc2ccccc21)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592834531 1349717465 /nfs/dbraw/zinc/71/74/65/1349717465.db2.gz XTVXYVXVNYATHH-OAHLLOKOSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(CC[C@H]1CCc2ccccc21)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592834531 1349717469 /nfs/dbraw/zinc/71/74/69/1349717469.db2.gz XTVXYVXVNYATHH-OAHLLOKOSA-N -1 1 348.410 2.388 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592950062 1349729070 /nfs/dbraw/zinc/72/90/70/1349729070.db2.gz ROWADCTWDARCGJ-MFKMUULPSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592950062 1349729071 /nfs/dbraw/zinc/72/90/71/1349729071.db2.gz ROWADCTWDARCGJ-MFKMUULPSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(NCc1ccc(C2CCC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593136380 1349739962 /nfs/dbraw/zinc/73/99/62/1349739962.db2.gz ATFRBGLXWAZCOL-UHFFFAOYSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(NCc1ccc(C2CCC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593136380 1349739963 /nfs/dbraw/zinc/73/99/63/1349739963.db2.gz ATFRBGLXWAZCOL-UHFFFAOYSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnc(-c2ccco2)c1 ZINC001593203596 1349746196 /nfs/dbraw/zinc/74/61/96/1349746196.db2.gz WHHGPXDGCFWQHY-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC001593244299 1349748639 /nfs/dbraw/zinc/74/86/39/1349748639.db2.gz WQYUXVHHUFPHKK-KUHUBIRLSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1C[C@]12CCCc1ccccc12 ZINC001593244299 1349748643 /nfs/dbraw/zinc/74/86/43/1349748643.db2.gz WQYUXVHHUFPHKK-KUHUBIRLSA-N -1 1 346.394 2.494 20 0 EEADMM O=C([O-])C[C@H](CC[NH2+]Cc1csc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001593275612 1349758789 /nfs/dbraw/zinc/75/87/89/1349758789.db2.gz DDZBERIVFBEBBW-QMMMGPOBSA-N -1 1 349.338 2.061 20 0 EEADMM O=C([O-])C[C@H](CC[NH2+]Cc1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001593275612 1349758792 /nfs/dbraw/zinc/75/87/92/1349758792.db2.gz DDZBERIVFBEBBW-QMMMGPOBSA-N -1 1 349.338 2.061 20 0 EEADMM O=C(OC[C@@H]1CC2(CCC2)CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593284474 1349763306 /nfs/dbraw/zinc/76/33/06/1349763306.db2.gz JNSPEJTVVVMIMH-JTQLQIEISA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@@H]1CC2(CCC2)CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593284474 1349763312 /nfs/dbraw/zinc/76/33/12/1349763312.db2.gz JNSPEJTVVVMIMH-JTQLQIEISA-N -1 1 332.335 2.122 20 0 EEADMM O=C(Oc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593308651 1349777591 /nfs/dbraw/zinc/77/75/91/1349777591.db2.gz IVFJYUKJOKUYHR-UHFFFAOYSA-N -1 1 343.730 2.069 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC(F)F)c1ccc(F)cc1 ZINC001593337084 1349783774 /nfs/dbraw/zinc/78/37/74/1349783774.db2.gz NJTGVCLJWOULBE-UHFFFAOYSA-N -1 1 348.288 2.313 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC(F)F)c1ccc(F)cc1 ZINC001593337084 1349783776 /nfs/dbraw/zinc/78/37/76/1349783776.db2.gz NJTGVCLJWOULBE-UHFFFAOYSA-N -1 1 348.288 2.313 20 0 EEADMM O=C(c1ccoc1Cl)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593361573 1349790870 /nfs/dbraw/zinc/79/08/70/1349790870.db2.gz HSODMRAULQAEPN-UHFFFAOYSA-N -1 1 330.735 2.101 20 0 EEADMM O=C(c1ccoc1Cl)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593361573 1349790873 /nfs/dbraw/zinc/79/08/73/1349790873.db2.gz HSODMRAULQAEPN-UHFFFAOYSA-N -1 1 330.735 2.101 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC001593387466 1349796287 /nfs/dbraw/zinc/79/62/87/1349796287.db2.gz ILXINXIWCSOBTF-CQSZACIVSA-N -1 1 349.350 2.065 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CCC(=O)c2ccccc21 ZINC001593387466 1349796291 /nfs/dbraw/zinc/79/62/91/1349796291.db2.gz ILXINXIWCSOBTF-CQSZACIVSA-N -1 1 349.350 2.065 20 0 EEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H]1c1ccccc1 ZINC001593453977 1349801314 /nfs/dbraw/zinc/80/13/14/1349801314.db2.gz FMRIXWXEXPQURD-NSHDSACASA-N -1 1 347.425 2.064 20 0 EEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H]1c1ccccc1 ZINC001593453977 1349801316 /nfs/dbraw/zinc/80/13/16/1349801316.db2.gz FMRIXWXEXPQURD-NSHDSACASA-N -1 1 347.425 2.064 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc(-c2nn[nH]n2)c1 ZINC001593445377 1349801329 /nfs/dbraw/zinc/80/13/29/1349801329.db2.gz XBJDENPWVYJYQN-UHFFFAOYSA-N -1 1 341.396 2.156 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001593519377 1349829669 /nfs/dbraw/zinc/82/96/69/1349829669.db2.gz LZBAFZNWUOQYCC-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001593519377 1349829671 /nfs/dbraw/zinc/82/96/71/1349829671.db2.gz LZBAFZNWUOQYCC-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM c1sc(CNc2ccc3c(c2)OCCCO3)nc1-c1nnn[n-]1 ZINC001593565771 1349852711 /nfs/dbraw/zinc/85/27/11/1349852711.db2.gz WXZOCJNTDJXPIS-UHFFFAOYSA-N -1 1 330.373 2.097 20 0 EEADMM c1sc(CNc2ccc3c(c2)OCCCO3)nc1-c1nn[n-]n1 ZINC001593565771 1349852714 /nfs/dbraw/zinc/85/27/14/1349852714.db2.gz WXZOCJNTDJXPIS-UHFFFAOYSA-N -1 1 330.373 2.097 20 0 EEADMM Cc1c(F)nccc1CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001600013339 1349955433 /nfs/dbraw/zinc/95/54/33/1349955433.db2.gz HTCGRBCEHIUSFI-OAHLLOKOSA-N -1 1 343.358 2.270 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC001600013056 1349955649 /nfs/dbraw/zinc/95/56/49/1349955649.db2.gz XWSDGUVENCZBSR-QJPTWQEYSA-N -1 1 327.812 2.126 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC001600121262 1349974924 /nfs/dbraw/zinc/97/49/24/1349974924.db2.gz RYGCBXUKBHDNBD-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(C)nc(N2CCN(Cc3ccc(C(=O)[O-])c(C)c3)CC2)n1 ZINC001600181546 1349987095 /nfs/dbraw/zinc/98/70/95/1349987095.db2.gz GUAWFAYODVSARI-UHFFFAOYSA-N -1 1 340.427 2.422 20 0 EEADMM Cc1cc(CNC(=O)c2c[nH]c3c(C)cccc3c2=O)oc1C(=O)[O-] ZINC001600202948 1349991891 /nfs/dbraw/zinc/99/18/91/1349991891.db2.gz MMQWNBLWTNSGSB-UHFFFAOYSA-N -1 1 340.335 2.366 20 0 EEADMM Cc1cc(Cl)cnc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001600221417 1349996012 /nfs/dbraw/zinc/99/60/12/1349996012.db2.gz ZBYRMCYECJJZPK-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1COC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001600348685 1350025895 /nfs/dbraw/zinc/02/58/95/1350025895.db2.gz ZJNUHDMUUOJTPW-UHFFFAOYSA-N -1 1 346.383 2.125 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC([C@@H](C)CO)CC1 ZINC001600353470 1350026935 /nfs/dbraw/zinc/02/69/35/1350026935.db2.gz YGLACTNEYSTTDK-UONOGXRCSA-N -1 1 348.443 2.361 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001600380355 1350034912 /nfs/dbraw/zinc/03/49/12/1350034912.db2.gz HPZVJIOOZCXQMI-JKSUJKDBSA-N -1 1 330.359 2.119 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)CC2 ZINC001600492048 1350064927 /nfs/dbraw/zinc/06/49/27/1350064927.db2.gz AEIYBURTNTXONK-RHSMWYFYSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC001600570964 1350085758 /nfs/dbraw/zinc/08/57/58/1350085758.db2.gz ZKBASJKXDFVJIG-KRWDZBQOSA-N -1 1 345.443 2.344 20 0 EEADMM Cc1cnc([C@H](C)NC[C@H](O)COc2ccc(C(=O)[O-])cc2)s1 ZINC001600619137 1350099168 /nfs/dbraw/zinc/09/91/68/1350099168.db2.gz VBHYWHOBUYTSNC-AAEUAGOBSA-N -1 1 336.413 2.240 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@H]1CCC[C@H]1O ZINC001600652011 1350108037 /nfs/dbraw/zinc/10/80/37/1350108037.db2.gz SKNLJSZEWDZNJJ-QJPTWQEYSA-N -1 1 340.445 2.175 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2NCc1ccccc1OCC(=O)[O-] ZINC001600749529 1350127546 /nfs/dbraw/zinc/12/75/46/1350127546.db2.gz CFPTVJGCDGCOTJ-HNNXBMFYSA-N -1 1 327.384 2.416 20 0 EEADMM Cc1nnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1C1CC1 ZINC001600796235 1350139195 /nfs/dbraw/zinc/13/91/95/1350139195.db2.gz SWACJGCWZIXABC-HZPDHXFCSA-N -1 1 326.400 2.222 20 0 EEADMM Cc1sc(NCc2n[nH]c(COc3ccccc3)n2)nc1C(=O)[O-] ZINC001600889815 1350160976 /nfs/dbraw/zinc/16/09/76/1350160976.db2.gz XAWIHGUGOGOKND-UHFFFAOYSA-N -1 1 345.384 2.459 20 0 EEADMM Cn1c2ccc(F)cc2c(CN2CCC3(CC2)OCCO3)c1C(=O)[O-] ZINC001600902222 1350163284 /nfs/dbraw/zinc/16/32/84/1350163284.db2.gz XPEAHVSNAMIMEB-UHFFFAOYSA-N -1 1 348.374 2.355 20 0 EEADMM Cn1cc(Br)c(CNC2CCC(CC(=O)[O-])CC2)n1 ZINC001600926844 1350170509 /nfs/dbraw/zinc/17/05/09/1350170509.db2.gz IFMMNTSDQPIPOR-UHFFFAOYSA-N -1 1 330.226 2.306 20 0 EEADMM Cn1cc(NS(=O)(=O)c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001600966604 1350178857 /nfs/dbraw/zinc/17/88/57/1350178857.db2.gz QADWOFOSIIDNJF-UHFFFAOYSA-N -1 1 330.312 2.462 20 0 EEADMM O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1ccc(Cl)c(O)c1 ZINC001601413052 1350279302 /nfs/dbraw/zinc/27/93/02/1350279302.db2.gz PQVJKQGMDVAEOV-GFCCVEGCSA-N -1 1 327.764 2.045 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1coc2ccc(Cl)cc12 ZINC001601567275 1350308511 /nfs/dbraw/zinc/30/85/11/1350308511.db2.gz BGRVVFFWGIEGPE-GFCCVEGCSA-N -1 1 333.731 2.235 20 0 EEADMM O=C([O-])[C@@H](C[C@@H]1CCCO1)NCc1ncc(Br)s1 ZINC001601641163 1350326286 /nfs/dbraw/zinc/32/62/86/1350326286.db2.gz IBXFOKYRMAYUPL-JGVFFNPUSA-N -1 1 335.223 2.018 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)N1CCCN(C(=O)C2CC2)CC1 ZINC001601695126 1350340264 /nfs/dbraw/zinc/34/02/64/1350340264.db2.gz HKONOWMLJSNWMM-HNNXBMFYSA-N -1 1 336.819 2.410 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)Nc2ccn(-c3ccccc3)n2)CCCC1 ZINC001601716508 1350347153 /nfs/dbraw/zinc/34/71/53/1350347153.db2.gz YCSJBJIAAOLAPH-UHFFFAOYSA-N -1 1 349.412 2.259 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@H]2C(=O)[O-] ZINC001601780072 1350363143 /nfs/dbraw/zinc/36/31/43/1350363143.db2.gz IYXKUAYVPSKOKB-PQUGWKKUSA-N -1 1 329.396 2.288 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCOCc1ccccc1)C[C@H]2C(=O)[O-] ZINC001601781039 1350363224 /nfs/dbraw/zinc/36/32/24/1350363224.db2.gz NVYCHLVBUZYNCW-WUJZJPHMSA-N -1 1 347.411 2.091 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@H]2C(=O)[O-] ZINC001601780073 1350363392 /nfs/dbraw/zinc/36/33/92/1350363392.db2.gz IYXKUAYVPSKOKB-UQDNXTENSA-N -1 1 329.396 2.288 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(Br)n[nH]2)c2ccccc21 ZINC001601846111 1350379492 /nfs/dbraw/zinc/37/94/92/1350379492.db2.gz XSKUTJAUWSPDQN-MRVPVSSYSA-N -1 1 336.145 2.001 20 0 EEADMM O=C([O-])/C=C/c1ccc(CNC2(C(=O)NCC3CC3)CCCC2)o1 ZINC001601878817 1350388962 /nfs/dbraw/zinc/38/89/62/1350388962.db2.gz AIKVRYYAINYZFY-BQYQJAHWSA-N -1 1 332.400 2.306 20 0 EEADMM O=C([O-])CCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001601978618 1350409655 /nfs/dbraw/zinc/40/96/55/1350409655.db2.gz WQVXXYDNCLXACQ-QGZVFWFLSA-N -1 1 331.347 2.278 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccncc2)cc1F ZINC001602004624 1350416342 /nfs/dbraw/zinc/41/63/42/1350416342.db2.gz IJIGUDPLQHEURR-UHFFFAOYSA-N -1 1 332.331 2.249 20 0 EEADMM O=C([O-])CCSc1ncccc1NC(=O)CCN1CC[C@@H](F)C1 ZINC001602033584 1350422668 /nfs/dbraw/zinc/42/26/68/1350422668.db2.gz DJUMFVATQQNYIH-LLVKDONJSA-N -1 1 341.408 2.021 20 0 EEADMM O=C([O-])CCc1csc(NC(=O)N2CCC(c3cnc[nH]3)CC2)n1 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Cc1nsc(Oc2cccc(-n3ccnn3)c2)c1-c1nnn[n-]1 ZINC001606163709 1351280327 /nfs/dbraw/zinc/28/03/27/1351280327.db2.gz MUGFNYLYPKNHJN-UHFFFAOYSA-N -1 1 326.345 2.005 20 0 EEADMM Cc1nsc(Oc2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC001606163709 1351280332 /nfs/dbraw/zinc/28/03/32/1351280332.db2.gz MUGFNYLYPKNHJN-UHFFFAOYSA-N -1 1 326.345 2.005 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC(C)(C)OC1(C)C ZINC001606167808 1351280842 /nfs/dbraw/zinc/28/08/42/1351280842.db2.gz XRRJBCCOVMXJOE-SNVBAGLBSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC(C)(C)OC1(C)C ZINC001606167808 1351280847 /nfs/dbraw/zinc/28/08/47/1351280847.db2.gz XRRJBCCOVMXJOE-SNVBAGLBSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccnc1C(F)(F)F ZINC001606168907 1351281060 /nfs/dbraw/zinc/28/10/60/1351281060.db2.gz BMAAGLMVGCJTOA-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccnc1C(F)(F)F ZINC001606168907 1351281064 /nfs/dbraw/zinc/28/10/64/1351281064.db2.gz BMAAGLMVGCJTOA-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cn1cc([C@@H](NCc2ccc(-c3nn[n-]n3)s2)C(F)(F)F)cn1 ZINC001606232595 1351286554 /nfs/dbraw/zinc/28/65/54/1351286554.db2.gz SNAPYGRGPHKPEW-SNVBAGLBSA-N -1 1 343.338 2.055 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1cccnc1-c1nnn[n-]1 ZINC001606487221 1351310442 /nfs/dbraw/zinc/31/04/42/1351310442.db2.gz JZBIYQDEBZOLNI-ARJAWSKDSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1cccnc1-c1nn[n-]n1 ZINC001606487221 1351310444 /nfs/dbraw/zinc/31/04/44/1351310444.db2.gz JZBIYQDEBZOLNI-ARJAWSKDSA-N -1 1 342.746 2.067 20 0 EEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2C3CCC2CC3)cc(C(=O)[O-])c1 ZINC001606549207 1351321181 /nfs/dbraw/zinc/32/11/81/1351321181.db2.gz GYYHZHWDPPDXAM-ISAOAKOHSA-N -1 1 346.383 2.125 20 0 EEADMM O=C(NCC1CCC(F)CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606721699 1351346617 /nfs/dbraw/zinc/34/66/17/1351346617.db2.gz AVGJQZUNIBIACQ-UHFFFAOYSA-N -1 1 339.321 2.403 20 0 EEADMM O=C(NCC1CCC(F)CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606721699 1351346620 /nfs/dbraw/zinc/34/66/20/1351346620.db2.gz AVGJQZUNIBIACQ-UHFFFAOYSA-N -1 1 339.321 2.403 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606728729 1351348711 /nfs/dbraw/zinc/34/87/11/1351348711.db2.gz YZFZOIFGLLUCAU-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606728729 1351348713 /nfs/dbraw/zinc/34/87/13/1351348713.db2.gz YZFZOIFGLLUCAU-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NC/C=C\c1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606753517 1351351904 /nfs/dbraw/zinc/35/19/04/1351351904.db2.gz OYWWXTNHXPZHBD-DAXSKMNVSA-N -1 1 340.412 2.441 20 0 EEADMM O=C(NCCCc1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606776539 1351355513 /nfs/dbraw/zinc/35/55/13/1351355513.db2.gz RZJFQSWNSVPIKH-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCCCc1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606776539 1351355516 /nfs/dbraw/zinc/35/55/16/1351355516.db2.gz RZJFQSWNSVPIKH-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)C1(c2cccc(F)c2)CCC1 ZINC001606933108 1351379073 /nfs/dbraw/zinc/37/90/73/1351379073.db2.gz GXODWZLDQXFABU-UHFFFAOYSA-N -1 1 338.346 2.461 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)C1(c2cccc(F)c2)CCC1 ZINC001606933108 1351379074 /nfs/dbraw/zinc/37/90/74/1351379074.db2.gz GXODWZLDQXFABU-UHFFFAOYSA-N -1 1 338.346 2.461 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(OC2CCCCC2)CC1 ZINC001607017603 1351398041 /nfs/dbraw/zinc/39/80/41/1351398041.db2.gz YUWONCMXBYQGGH-UHFFFAOYSA-N -1 1 345.403 2.414 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(OC2CCCCC2)CC1 ZINC001607017603 1351398043 /nfs/dbraw/zinc/39/80/43/1351398043.db2.gz YUWONCMXBYQGGH-UHFFFAOYSA-N -1 1 345.403 2.414 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(c2ccc(O)cc2)CC1 ZINC001607017361 1351398335 /nfs/dbraw/zinc/39/83/35/1351398335.db2.gz RMOBJNVRXYIHOM-UHFFFAOYSA-N -1 1 339.355 2.185 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(c2ccc(O)cc2)CC1 ZINC001607017361 1351398336 /nfs/dbraw/zinc/39/83/36/1351398336.db2.gz RMOBJNVRXYIHOM-UHFFFAOYSA-N -1 1 339.355 2.185 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(c1ccccc1)[C@H]1CCOC1 ZINC001607017238 1351398362 /nfs/dbraw/zinc/39/83/62/1351398362.db2.gz RCLBEEZZPJVDRV-LBPRGKRZSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(c1ccccc1)[C@H]1CCOC1 ZINC001607017238 1351398364 /nfs/dbraw/zinc/39/83/64/1351398364.db2.gz RCLBEEZZPJVDRV-LBPRGKRZSA-N -1 1 341.396 2.364 20 0 EEADMM O=S(=O)(NC1CCCCCCC1)c1ccsc1-c1nn[n-]n1 ZINC001607061320 1351404980 /nfs/dbraw/zinc/40/49/80/1351404980.db2.gz YNJWJZKHNFAYSZ-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccc(F)cc1O ZINC001607115483 1351425004 /nfs/dbraw/zinc/42/50/04/1351425004.db2.gz LEFQHAVFNVHJJA-UHFFFAOYSA-N -1 1 333.315 2.211 20 0 EEADMM c1ccc2oc(CCNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)nc2c1 ZINC001607131456 1351433277 /nfs/dbraw/zinc/43/32/77/1351433277.db2.gz CGDYNABIMUCXAS-UHFFFAOYSA-N -1 1 348.370 2.330 20 0 EEADMM c1ccc2oc(CCNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)nc2c1 ZINC001607131456 1351433279 /nfs/dbraw/zinc/43/32/79/1351433279.db2.gz CGDYNABIMUCXAS-UHFFFAOYSA-N -1 1 348.370 2.330 20 0 EEADMM COc1ccc(/C(C)=C/C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC001607220691 1351451946 /nfs/dbraw/zinc/45/19/46/1351451946.db2.gz XGHPIGCVCYCBQE-ZQHYZAEZSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc([C@H](NCc2cnc3onc(C)c3c2)C(=O)[O-])cc1O ZINC001607235690 1351455925 /nfs/dbraw/zinc/45/59/25/1351455925.db2.gz XHXGVPRETXCFAL-HNNXBMFYSA-N -1 1 343.339 2.161 20 0 EEADMM COc1ccc(N(C(C)=O)c2nc(CN[C@@H](C)C(=O)[O-])cs2)cc1 ZINC001607268519 1351462408 /nfs/dbraw/zinc/46/24/08/1351462408.db2.gz YYZULHRXKLETIM-JTQLQIEISA-N -1 1 349.412 2.399 20 0 EEADMM COc1cccc2c1CC[C@@]2(N)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001607333396 1351476417 /nfs/dbraw/zinc/47/64/17/1351476417.db2.gz DHESNJVVRJNQSB-SFHVURJKSA-N -1 1 344.342 2.271 20 0 EEADMM COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001607334608 1351476888 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Cc1ccc2nc(CNC(=O)NC[C@@H](CC(=O)[O-])C3CC3)[nH]c2c1 ZINC001607828478 1351566943 /nfs/dbraw/zinc/56/69/43/1351566943.db2.gz MWWPLWDLXNLBPQ-GFCCVEGCSA-N -1 1 330.388 2.171 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NCC(=O)NC1CCCCC1 ZINC001608339375 1351673848 /nfs/dbraw/zinc/67/38/48/1351673848.db2.gz UIWUQIRBOIRUNV-HNNXBMFYSA-N -1 1 338.835 2.374 20 0 EEADMM O=C([O-])[C@@H](Cc1ccccc1)OC(=O)Cc1n[nH]c2c1CCCC2 ZINC001608371979 1351681230 /nfs/dbraw/zinc/68/12/30/1351681230.db2.gz BYGAONAFHPWPDY-MRXNPFEDSA-N -1 1 328.368 2.070 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cccc4cccnc43)nc2n1 ZINC001623442730 1352397326 /nfs/dbraw/zinc/39/73/26/1352397326.db2.gz CTXZGZREHPRJPA-UHFFFAOYSA-N -1 1 348.366 2.171 20 0 EEADMM COCc1nc(CNC(=O)c2ncc3ccccc3c2[O-])cs1 ZINC001625417329 1352448257 /nfs/dbraw/zinc/44/82/57/1352448257.db2.gz FFPLLFZVMJLNEJ-UHFFFAOYSA-N -1 1 329.381 2.473 20 0 EEADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc([O-])cc3F)cc2)n1 ZINC001627518739 1352499678 /nfs/dbraw/zinc/49/96/78/1352499678.db2.gz KNIDIAMTLDIIAC-UHFFFAOYSA-N -1 1 340.314 2.068 20 0 EEADMM O=C([N-]c1nnc2ccc(Br)cn21)c1cc(Cl)no1 ZINC001627844852 1352511382 /nfs/dbraw/zinc/51/13/82/1352511382.db2.gz QFGJISJJFJIXIR-UHFFFAOYSA-N -1 1 342.540 2.386 20 0 EEADMM CSc1ncc(C(=O)NCc2ccnc3ccccc23)c(=O)[n-]1 ZINC001641729333 1352724754 /nfs/dbraw/zinc/72/47/54/1352724754.db2.gz IIMVZHGMNYUAPF-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)o1 ZINC001649714515 1353569512 /nfs/dbraw/zinc/56/95/12/1353569512.db2.gz VWGPQBYPXFMDFI-UHFFFAOYSA-N -1 1 349.408 2.424 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)C1 ZINC001650521798 1353968990 /nfs/dbraw/zinc/96/89/90/1353968990.db2.gz FMPRTHZAEPPRHH-CYBMUJFWSA-N -1 1 344.467 2.055 20 0 EEADMM CC(C)(C)[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)C1 ZINC001650521798 1353968991 /nfs/dbraw/zinc/96/89/91/1353968991.db2.gz FMPRTHZAEPPRHH-CYBMUJFWSA-N -1 1 344.467 2.055 20 0 EEADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccn3ccnc23)c1 ZINC000074859914 1354369242 /nfs/dbraw/zinc/36/92/42/1354369242.db2.gz ZNPVTBPSWQKOFF-UHFFFAOYSA-N -1 1 333.369 2.152 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC1(C)C ZINC001388523425 1387523727 /nfs/dbraw/zinc/52/37/27/1387523727.db2.gz HTJRDWVXSBRJLP-QWHCGFSZSA-N -1 1 333.432 2.094 20 0 EEADMM O=C(CC[C@H]1CCCCO1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096309 1368138450 /nfs/dbraw/zinc/13/84/50/1368138450.db2.gz BTNGEPKBLKPAEZ-CYBMUJFWSA-N -1 1 331.376 2.067 20 0 EEADMM O=C(NCc1cc(F)cc2c1OCOC2)c1cc([O-])cnc1Cl ZINC001195313008 1368517866 /nfs/dbraw/zinc/51/78/66/1368517866.db2.gz NZRDJNJHLQRRRR-UHFFFAOYSA-N -1 1 338.722 2.376 20 0 EEADMM Cc1nocc1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195495330 1368545427 /nfs/dbraw/zinc/54/54/27/1368545427.db2.gz XFQGHTJADJPKOT-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM COc1cc(C(C)=O)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778543 1368645257 /nfs/dbraw/zinc/64/52/57/1368645257.db2.gz GLQREDIFYUICIR-UHFFFAOYSA-N -1 1 349.364 2.397 20 0 EEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC000867382876 1368787703 /nfs/dbraw/zinc/78/77/03/1368787703.db2.gz RLSXYOLEDXWSBF-DTORHVGOSA-N -1 1 325.217 2.234 20 0 EEADMM C[C@@H](CNC(=O)C(C)(C)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001389329423 1388049306 /nfs/dbraw/zinc/04/93/06/1388049306.db2.gz QTVFXNOAIXWNFR-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM CCOCCCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)OC ZINC001122583779 1372064557 /nfs/dbraw/zinc/06/45/57/1372064557.db2.gz BWZGDBWACXETRN-UHFFFAOYSA-N -1 1 341.799 2.123 20 0 EEADMM CSCC1CCN(C(=O)c2c(C)[n-]c(=O)nc2SC)CC1 ZINC000834362358 1372545984 /nfs/dbraw/zinc/54/59/84/1372545984.db2.gz XHBUKSXFAFBTSZ-UHFFFAOYSA-N -1 1 327.475 2.428 20 0 EEADMM Cc1[nH]c(CN2CC[C@](O)(C(F)(F)F)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001140494148 1372585290 /nfs/dbraw/zinc/58/52/90/1372585290.db2.gz XUUSFAODWUVQFY-XLKFXECMSA-N -1 1 334.338 2.465 20 0 EEADMM CCOc1cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)on1 ZINC001361290250 1373279410 /nfs/dbraw/zinc/27/94/10/1373279410.db2.gz XRQRQQPYUCNYFD-UHFFFAOYSA-N -1 1 344.776 2.383 20 0 EEADMM CC(C)c1nnc(C(=O)[N-]c2ccccc2SCC(N)=O)s1 ZINC001361865624 1373348481 /nfs/dbraw/zinc/34/84/81/1373348481.db2.gz HUKUXULVGGCZBJ-UHFFFAOYSA-N -1 1 336.442 2.491 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H](C)Oc2cccc(C)c2)c(=O)[n-]1 ZINC001362115181 1373367299 /nfs/dbraw/zinc/36/72/99/1373367299.db2.gz WAUFNCVBXDUPHV-LLVKDONJSA-N -1 1 333.413 2.410 20 0 EEADMM CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001362560736 1373431193 /nfs/dbraw/zinc/43/11/93/1373431193.db2.gz SPECZPBJUNAJPA-UHFFFAOYSA-N -1 1 337.372 2.006 20 0 EEADMM CCS(=O)(=O)Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC001362569088 1373432814 /nfs/dbraw/zinc/43/28/14/1373432814.db2.gz MCZLSNDIBLLYAP-UHFFFAOYSA-N -1 1 335.381 2.285 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2SC)co1 ZINC001362930024 1373470885 /nfs/dbraw/zinc/47/08/85/1373470885.db2.gz DQUBVSAYSYMXBB-UHFFFAOYSA-N -1 1 344.389 2.301 20 0 EEADMM CC[C@H]1COCCN1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC001363563242 1373531676 /nfs/dbraw/zinc/53/16/76/1373531676.db2.gz ZYARHAAUXWBTHT-HNNXBMFYSA-N -1 1 328.412 2.386 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)c1 ZINC001364750917 1373617029 /nfs/dbraw/zinc/61/70/29/1373617029.db2.gz UULPMXKTNSXCPU-UHFFFAOYSA-N -1 1 343.351 2.500 20 0 EEADMM CC[C@@H](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371682984 1375577647 /nfs/dbraw/zinc/57/76/47/1375577647.db2.gz QKRLLGNNSXENHU-MCIONIFRSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](C)CCC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001372144708 1375806242 /nfs/dbraw/zinc/80/62/42/1375806242.db2.gz WZUWKFDXGUECTD-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(NCCN(C(=O)C12CCC(CC1)C2)C1CC1)c1ncccc1[O-] ZINC001374221606 1376626261 /nfs/dbraw/zinc/62/62/61/1376626261.db2.gz LXQDUMXQEADMMA-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001383590107 1382581352 /nfs/dbraw/zinc/58/13/52/1382581352.db2.gz AHMYUJQWHBVANY-TZMCWYRMSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccsc1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001383707591 1382664970 /nfs/dbraw/zinc/66/49/70/1382664970.db2.gz YUXJJOQFBQFZAR-NSHDSACASA-N -1 1 333.413 2.048 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)NC1(CNCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001391779955 1389595291 /nfs/dbraw/zinc/59/52/91/1389595291.db2.gz MQDTXJCZCWVPFP-ZDUSSCGKSA-N -1 1 349.479 2.245 20 0 EEADMM CCC(CC)CC(=O)N1CCC[C@H](C)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001392197276 1389890735 /nfs/dbraw/zinc/89/07/35/1389890735.db2.gz OMAANSJXFUOMGC-GXTWGEPZSA-N -1 1 337.468 2.053 20 0 EEADMM CC(C)c1ccccc1C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001393548466 1390467486 /nfs/dbraw/zinc/46/74/86/1390467486.db2.gz XCFIFARKMKRMPI-UHFFFAOYSA-N -1 1 343.431 2.076 20 0 EEADMM CCCc1occc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001395127727 1390790779 /nfs/dbraw/zinc/79/07/79/1390790779.db2.gz BZEXBPIQAWKSKT-LBPRGKRZSA-N -1 1 345.399 2.223 20 0 EEADMM CCCC1(C(=O)NC[C@@H](C2CC2)N(C)C(=O)c2ncccc2[O-])CC1 ZINC001395488541 1390828137 /nfs/dbraw/zinc/82/81/37/1390828137.db2.gz QHVZAVCVADHCKD-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396883372 1390985376 /nfs/dbraw/zinc/98/53/76/1390985376.db2.gz XQQKOSDOIIONHJ-NEPJUHHUSA-N -1 1 337.395 2.035 20 0 EEADMM CC1(CC(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001396941138 1390992529 /nfs/dbraw/zinc/99/25/29/1390992529.db2.gz XBQBFMCISSEJAY-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CCCCC(=O)N[C@H]1C[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001397186109 1391127369 /nfs/dbraw/zinc/12/73/69/1391127369.db2.gz SIZKAABHLCDMFO-JOCQHMNTSA-N -1 1 348.447 2.181 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC/C(Cl)=C/Cl)c1[O-] ZINC001398761603 1394178350 /nfs/dbraw/zinc/17/83/50/1394178350.db2.gz VHWLESDKSDEWBZ-YAEJEKNGSA-N -1 1 347.246 2.327 20 0 EEADMM CCc1ccc(F)cc1C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001400029949 1395830728 /nfs/dbraw/zinc/83/07/28/1395830728.db2.gz QKTBFNBVXQJGNL-LLVKDONJSA-N -1 1 345.374 2.037 20 0 EEADMM C[C@@H](CC(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001400307251 1396162289 /nfs/dbraw/zinc/16/22/89/1396162289.db2.gz GVNNIZVHGGGQIK-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)c2ccccc2)C1 ZINC001400927812 1396735045 /nfs/dbraw/zinc/73/50/45/1396735045.db2.gz FXZJTKTUKOTBGY-LJQANCHMSA-N -1 1 339.395 2.069 20 0 EEADMM CCN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CCC(C)C)CC1 ZINC001424655061 1401195647 /nfs/dbraw/zinc/19/56/47/1401195647.db2.gz URWJWXJHMKRYRO-UHFFFAOYSA-N -1 1 337.468 2.007 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)CCC2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001425617059 1401671668 /nfs/dbraw/zinc/67/16/68/1401671668.db2.gz XSZLFNRSIGZZAB-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C)CC1 ZINC001425683821 1401731931 /nfs/dbraw/zinc/73/19/31/1401731931.db2.gz HFGFOKMHOOOXRT-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1cccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1F ZINC001427580123 1402491003 /nfs/dbraw/zinc/49/10/03/1402491003.db2.gz PEYDPPJMWJLTRJ-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM Cc1ccsc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001428523090 1402737702 /nfs/dbraw/zinc/73/77/02/1402737702.db2.gz FGBCMDPHRJWEJT-VXGBXAGGSA-N -1 1 347.440 2.484 20 0 EEADMM CCCC(=O)NCC[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001428961082 1402856042 /nfs/dbraw/zinc/85/60/42/1402856042.db2.gz ZNAFONBKPAQKKS-LLVKDONJSA-N -1 1 336.436 2.039 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC001431217871 1403002487 /nfs/dbraw/zinc/00/24/87/1403002487.db2.gz CBORMSQFGXTCCN-OAHLLOKOSA-N -1 1 341.411 2.280 20 0 EEADMM CCC(CC)(CC)C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001432963817 1403337793 /nfs/dbraw/zinc/33/77/93/1403337793.db2.gz QYWIQMRHICLXRX-CYBMUJFWSA-N -1 1 335.448 2.486 20 0 EEADMM COC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC001579484961 1403784693 /nfs/dbraw/zinc/78/46/93/1403784693.db2.gz LYKJCYXEWQDOKK-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)cc1Cl ZINC001580033055 1403811602 /nfs/dbraw/zinc/81/16/02/1403811602.db2.gz WILVKNLWTGPOSO-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM COCCN(CC(C)C)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591421367 1403910571 /nfs/dbraw/zinc/91/05/71/1403910571.db2.gz FBKYFCWTFQFBPC-UHFFFAOYSA-N -1 1 344.341 2.389 20 0 EEADMM COCCN(CC(C)C)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591421367 1403910583 /nfs/dbraw/zinc/91/05/83/1403910583.db2.gz FBKYFCWTFQFBPC-UHFFFAOYSA-N -1 1 344.341 2.389 20 0 EEADMM COCc1ccnc(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001591459199 1403916911 /nfs/dbraw/zinc/91/69/11/1403916911.db2.gz CIEQZRPJMFJULJ-UHFFFAOYSA-N -1 1 349.354 2.142 20 0 EEADMM COc1cccc(C(C)(C)CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001591638504 1403932480 /nfs/dbraw/zinc/93/24/80/1403932480.db2.gz RWRIEASQLQNUFD-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1cccc(C(C)(C)CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001591638504 1403932493 /nfs/dbraw/zinc/93/24/93/1403932493.db2.gz RWRIEASQLQNUFD-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM Cc1c(-c2cccc(COC(C)C)c2)cc(-c2nn[n-]n2)c(=O)n1C ZINC001591794535 1403949633 /nfs/dbraw/zinc/94/96/33/1403949633.db2.gz GJHYFTDYEZTEAI-UHFFFAOYSA-N -1 1 339.399 2.466 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCOc3ccc(F)cc32)n1 ZINC001591894492 1403969384 /nfs/dbraw/zinc/96/93/84/1403969384.db2.gz XWSACNLOACBURI-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCOc3ccc(F)cc32)n1 ZINC001591894492 1403969387 /nfs/dbraw/zinc/96/93/87/1403969387.db2.gz XWSACNLOACBURI-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592138247 1404004663 /nfs/dbraw/zinc/00/46/63/1404004663.db2.gz VGNOOPJHCVWLKQ-IINYFYTJSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592138247 1404004674 /nfs/dbraw/zinc/00/46/74/1404004674.db2.gz VGNOOPJHCVWLKQ-IINYFYTJSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1cccc2oc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)cc21 ZINC001592245923 1404013231 /nfs/dbraw/zinc/01/32/31/1404013231.db2.gz DWEQCYQTIQGPND-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1cccc2oc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)cc21 ZINC001592245923 1404013238 /nfs/dbraw/zinc/01/32/38/1404013238.db2.gz DWEQCYQTIQGPND-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592325399 1404017895 /nfs/dbraw/zinc/01/78/95/1404017895.db2.gz SYTQGFVHHGPBJY-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC001592480654 1404701467 /nfs/dbraw/zinc/70/14/67/1404701467.db2.gz PKNNQCBCKFHYNZ-UWVGGRQHSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC001592480654 1404701474 /nfs/dbraw/zinc/70/14/74/1404701474.db2.gz PKNNQCBCKFHYNZ-UWVGGRQHSA-N -1 1 333.421 2.428 20 0 EEADMM Fc1ccccc1N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001592662013 1404707310 /nfs/dbraw/zinc/70/73/10/1404707310.db2.gz YYFTUQZIKOIWNK-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM Fc1ccccc1N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001592662013 1404707312 /nfs/dbraw/zinc/70/73/12/1404707312.db2.gz YYFTUQZIKOIWNK-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593028858 1404734814 /nfs/dbraw/zinc/73/48/14/1404734814.db2.gz SLJDTFMANHVCJV-RYUDHWBXSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593028858 1404734818 /nfs/dbraw/zinc/73/48/18/1404734818.db2.gz SLJDTFMANHVCJV-RYUDHWBXSA-N -1 1 327.392 2.210 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC001606019563 1404756398 /nfs/dbraw/zinc/75/63/98/1404756398.db2.gz IOHRXXFVUHYQKY-ZWNOBZJWSA-N -1 1 339.378 2.487 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC001606019563 1404756402 /nfs/dbraw/zinc/75/64/02/1404756402.db2.gz IOHRXXFVUHYQKY-ZWNOBZJWSA-N -1 1 339.378 2.487 20 0 EEADMM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc2nccn21 ZINC001606163229 1404770985 /nfs/dbraw/zinc/77/09/85/1404770985.db2.gz WJLSGOREGGGUGP-UHFFFAOYSA-N -1 1 325.368 2.430 20 0 EEADMM CNC(=O)[C@@H](Cc1ccccc1)NCc1cc(C(=O)[O-])ccc1Cl ZINC001606261464 1404777871 /nfs/dbraw/zinc/77/78/71/1404777871.db2.gz RJXOVAPDHWYFTL-MRXNPFEDSA-N -1 1 346.814 2.485 20 0 EEADMM COC(=O)[C@H](CCC(=O)[O-])Sc1nc(-c2ccccc2F)n[nH]1 ZINC001606331704 1404795569 /nfs/dbraw/zinc/79/55/69/1404795569.db2.gz IASZPWXYMVOBOU-JTQLQIEISA-N -1 1 339.348 2.109 20 0 EEADMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])cc1F ZINC000181915569 1405828767 /nfs/dbraw/zinc/82/87/67/1405828767.db2.gz FFDAZNIYUNGULB-INIZCTEOSA-N -1 1 329.327 2.271 20 0 EEADMM C[C@H](C(=O)Nc1ccc(Br)c([O-])c1)[C@@H]1CCC(=O)N1 ZINC001771819504 1406141282 /nfs/dbraw/zinc/14/12/82/1406141282.db2.gz BYMHERUBOSJYPA-XVKPBYJWSA-N -1 1 327.178 2.008 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H](CNC(=O)[C@H]1CC=CCC1)C1CC1 ZINC001756409033 1408423368 /nfs/dbraw/zinc/42/33/68/1408423368.db2.gz LAAZQLSEFLGGOZ-LSDHHAIUSA-N -1 1 343.427 2.110 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)Nc2ncc(CC(=O)[O-])s2)o1 ZINC001771920375 1409980906 /nfs/dbraw/zinc/98/09/06/1409980906.db2.gz DQSJNBUVVXZLCP-UHFFFAOYSA-N -1 1 337.401 2.457 20 0 EEADMM Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1C ZINC000942396033 782356687 /nfs/dbraw/zinc/35/66/87/782356687.db2.gz ZZWUKQUOEDWEKI-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM CC1(C)CCCC[C@@H]1CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000995246491 782437951 /nfs/dbraw/zinc/43/79/51/782437951.db2.gz TYMBJLDIUXQSJA-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCN(C(=O)C2CCCCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087133655 758336528 /nfs/dbraw/zinc/33/65/28/758336528.db2.gz FRMVWGHGPACNBI-HIFRSBDPSA-N -1 1 349.479 2.197 20 0 EEADMM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2Cl)C1=O ZINC000843555538 759401865 /nfs/dbraw/zinc/40/18/65/759401865.db2.gz BHRPOPQDZURGLU-SECBINFHSA-N -1 1 337.153 2.432 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@@]2(C)C(=O)[O-])N2CCCC2)o1 ZINC000780512808 761182167 /nfs/dbraw/zinc/18/21/67/761182167.db2.gz HIIBAWZTRGZCTM-KSSFIOAISA-N -1 1 349.431 2.374 20 0 EEADMM C[C@H](CNc1ccnc(C2CC2)n1)N(C)C(=O)c1ncccc1[O-] ZINC001104536313 761713196 /nfs/dbraw/zinc/71/31/96/761713196.db2.gz MGYPUBNOYINWJD-LLVKDONJSA-N -1 1 327.388 2.027 20 0 EEADMM CC(C)=C(F)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715878 769098593 /nfs/dbraw/zinc/09/85/93/769098593.db2.gz NSDFBIVCTXCHMX-JOCQHMNTSA-N -1 1 349.406 2.455 20 0 EEADMM O=C([N-]NC(=O)Nc1ccncc1F)c1ccc(Cl)cc1F ZINC000184227639 782734376 /nfs/dbraw/zinc/73/43/76/782734376.db2.gz RVHPJWGCCYMNAD-UHFFFAOYSA-N -1 1 326.690 2.480 20 0 EEADMM O=S(=O)(Cc1ccc(F)cc1Br)[N-]C(CF)CF ZINC000919825922 770321267 /nfs/dbraw/zinc/32/12/67/770321267.db2.gz WPRJWNNFCAJUNY-UHFFFAOYSA-N -1 1 346.168 2.315 20 0 EEADMM O=C(NCc1nc(-c2ccncc2)no1)c1c([O-])cccc1Cl ZINC000920436865 770720774 /nfs/dbraw/zinc/72/07/74/770720774.db2.gz CCOAUXHUTJMWHW-UHFFFAOYSA-N -1 1 330.731 2.421 20 0 EEADMM C[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979670045 770819834 /nfs/dbraw/zinc/81/98/34/770819834.db2.gz AZKMCBRUFUHFOE-XQLPTFJDSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](OC[C@@H]1CCCO1)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000921103383 770967239 /nfs/dbraw/zinc/96/72/39/770967239.db2.gz ZRQQQDCNEWYXFA-FZMZJTMJSA-N -1 1 348.351 2.126 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)cs1 ZINC000938870290 774834747 /nfs/dbraw/zinc/83/47/47/774834747.db2.gz ZPVSUJYWCIUZJK-CYBMUJFWSA-N -1 1 345.424 2.144 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(CC=C(Cl)Cl)CC1 ZINC000981027140 776402600 /nfs/dbraw/zinc/40/26/00/776402600.db2.gz RXXYVDMMJSZZIY-UHFFFAOYSA-N -1 1 330.215 2.254 20 0 EEADMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000921498669 778120301 /nfs/dbraw/zinc/12/03/01/778120301.db2.gz KMPOJQUAEPHENQ-LDWIPMOCSA-N -1 1 328.192 2.446 20 0 EEADMM 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789939756 /nfs/dbraw/zinc/93/97/56/789939756.db2.gz LVHJERFTLHPDFK-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM COCc1c2ccccc2oc1C(=O)NN=c1nc(OC)cc[n-]1 ZINC000046364249 789992631 /nfs/dbraw/zinc/99/26/31/789992631.db2.gz GBIFKGDLVUWAFF-UHFFFAOYSA-N -1 1 328.328 2.135 20 0 EEADMM Cc1cccc(-c2ccc(C(=O)N(C)C[C@H](C)c3nn[n-]n3)n2C)c1 ZINC000845940703 790002241 /nfs/dbraw/zinc/00/22/41/790002241.db2.gz YTCYAEJBCAACJM-ZDUSSCGKSA-N -1 1 338.415 2.389 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])co1 ZINC000946187940 790030704 /nfs/dbraw/zinc/03/07/04/790030704.db2.gz YQXNFISDFUOGDD-TZMCWYRMSA-N -1 1 343.383 2.017 20 0 EEADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cccc2c1OCCO2 ZINC000846261576 790107511 /nfs/dbraw/zinc/10/75/11/790107511.db2.gz PKVIHRMLCQTAPX-MRXNPFEDSA-N -1 1 325.364 2.469 20 0 EEADMM O=C(NC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])C1=CCCC1 ZINC000946379267 791459633 /nfs/dbraw/zinc/45/96/33/791459633.db2.gz HHTPXMILVYTTAL-HUUCEWRRSA-N -1 1 343.427 2.302 20 0 EEADMM COc1cc(C(=O)[N-]c2snnc2-c2ccc(OC)cc2)on1 ZINC001146932861 791579815 /nfs/dbraw/zinc/57/98/15/791579815.db2.gz ZUYPYJMGDVRYNA-UHFFFAOYSA-N -1 1 332.341 2.463 20 0 EEADMM Cc1cc(NCC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001063833435 791804345 /nfs/dbraw/zinc/80/43/45/791804345.db2.gz YKCJRMOZRZOURE-AWEZNQCLSA-N -1 1 341.415 2.383 20 0 EEADMM Cc1ncc(CO)c(C(=O)N(C)Cc2csc(C(C)C)n2)c1[O-] ZINC001147838021 791995249 /nfs/dbraw/zinc/99/52/49/791995249.db2.gz HZFZBWDYBRXTRK-UHFFFAOYSA-N -1 1 335.429 2.440 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1CNc1ncc(Cl)cn1)c1ncccc1[O-] ZINC001064092652 792333454 /nfs/dbraw/zinc/33/34/54/792333454.db2.gz CPQGOQHTZTZBKQ-CMPLNLGQSA-N -1 1 347.806 2.241 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)[n-]1 ZINC001148326575 792338233 /nfs/dbraw/zinc/33/82/33/792338233.db2.gz RYHMIGQDWOCUIU-UHFFFAOYSA-N -1 1 337.383 2.274 20 0 EEADMM CN(CCCCCCNc1nccnc1F)C(=O)c1ncccc1[O-] ZINC001091736913 792592944 /nfs/dbraw/zinc/59/29/44/792592944.db2.gz 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794224674 /nfs/dbraw/zinc/22/46/74/794224674.db2.gz HDFUIEQPNHHKKX-UHFFFAOYSA-N -1 1 335.358 2.162 20 0 EEADMM CCc1nc(C)cc(NCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296374 795360788 /nfs/dbraw/zinc/36/07/88/795360788.db2.gz PLXQYBDRWJUJHY-NSHDSACASA-N -1 1 329.404 2.069 20 0 EEADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1cncs1 ZINC000993254189 796161364 /nfs/dbraw/zinc/16/13/64/796161364.db2.gz XNSSALQRLCZTJP-WCQYABFASA-N -1 1 332.429 2.027 20 0 EEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)oc1C ZINC000993247625 796167660 /nfs/dbraw/zinc/16/76/60/796167660.db2.gz KZFARCXVBGNKRU-OCCSQVGLSA-N -1 1 344.415 2.175 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001060980213 796380567 /nfs/dbraw/zinc/38/05/67/796380567.db2.gz VZPBLNDHIJFAGJ-LHHJGKSTSA-N -1 1 343.427 2.208 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C1CC(C)(C)C1)C(=O)c1ncccc1[O-] ZINC001002454267 798110877 /nfs/dbraw/zinc/11/08/77/798110877.db2.gz REABELAKKQVNGH-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(NCc1ccc(-n2cncn2)nc1)c1ccc2ccccc2c1[O-] ZINC000917168428 798125239 /nfs/dbraw/zinc/12/52/39/798125239.db2.gz DVAQWIWROZVUFZ-UHFFFAOYSA-N -1 1 345.362 2.451 20 0 EEADMM CSc1nc(NC(=O)Cc2c(F)c(F)nc(F)c2F)cc(=O)[n-]1 ZINC001177473650 798959355 /nfs/dbraw/zinc/95/93/55/798959355.db2.gz ACMIDUFZLVVBJK-UHFFFAOYSA-N -1 1 348.281 2.037 20 0 EEADMM CCCC(=O)N1CCC[C@@H]([C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003107397 799225426 /nfs/dbraw/zinc/22/54/26/799225426.db2.gz VGFGHSILXSUYKY-HUUCEWRRSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2CN(c3cccc(F)n3)C[C@H]21 ZINC001066229560 800218617 /nfs/dbraw/zinc/21/86/17/800218617.db2.gz AXWWEODLBUDFGK-QWHCGFSZSA-N -1 1 342.374 2.062 20 0 EEADMM COC1(OC)CCOC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000824278372 800255796 /nfs/dbraw/zinc/25/57/96/800255796.db2.gz XGBXUURWDXLSOY-OAHLLOKOSA-N -1 1 331.368 2.053 20 0 EEADMM CC(C)Cc1ccc(CC(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001181821092 800922615 /nfs/dbraw/zinc/92/26/15/800922615.db2.gz XOIAHEXUWLFRJT-UHFFFAOYSA-N -1 1 341.371 2.095 20 0 EEADMM CC(C)c1ocnc1CN1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001033036350 801029549 /nfs/dbraw/zinc/02/95/49/801029549.db2.gz PIONLXFDFMSXLQ-ZDUSSCGKSA-N -1 1 344.415 2.245 20 0 EEADMM O=C(NCc1nn[n-]n1)[C@@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC001182244330 801077294 /nfs/dbraw/zinc/07/72/94/801077294.db2.gz MIFCBHDXLDDTDT-OAHLLOKOSA-N -1 1 348.838 2.087 20 0 EEADMM CN(C)c1nc(NC(=O)C(=O)c2ccc(Cl)cc2)c(N=O)c(=O)[n-]1 ZINC001182891900 801389013 /nfs/dbraw/zinc/38/90/13/801389013.db2.gz FWSVAFHMBFXHDZ-UHFFFAOYSA-N -1 1 349.734 2.121 20 0 EEADMM O=C(CCCn1cccn1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001183251209 801537769 /nfs/dbraw/zinc/53/77/69/801537769.db2.gz PZWWAEXYKDXRAB-UHFFFAOYSA-N -1 1 346.778 2.446 20 0 EEADMM O=C(CCCn1cccn1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001183251209 801537775 /nfs/dbraw/zinc/53/77/75/801537775.db2.gz PZWWAEXYKDXRAB-UHFFFAOYSA-N -1 1 346.778 2.446 20 0 EEADMM C[C@H](C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ccccc1Cl ZINC001184475464 802047002 /nfs/dbraw/zinc/04/70/02/802047002.db2.gz AQKTUAQXHCCBCJ-LURJTMIESA-N -1 1 333.735 2.111 20 0 EEADMM Cc1csc(C(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)c1 ZINC000946660117 802712029 /nfs/dbraw/zinc/71/20/29/802712029.db2.gz MVOPCVIFIIERRV-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001004762749 802825690 /nfs/dbraw/zinc/82/56/90/802825690.db2.gz AOCAIYYAPFGTKG-UKRRQHHQSA-N -1 1 347.463 2.260 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2cccs2)sn1 ZINC000867000363 803883850 /nfs/dbraw/zinc/88/38/50/803883850.db2.gz HMIMEXWNYPWDBP-VHSXEESVSA-N -1 1 332.472 2.304 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc[nH]1 ZINC000787957020 807313500 /nfs/dbraw/zinc/31/35/00/807313500.db2.gz XXQMKFIQZQATKC-UHFFFAOYSA-N -1 1 329.287 2.085 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2cccc(-c3ncn(C)n3)c2)[n-]1 ZINC000788937379 807783381 /nfs/dbraw/zinc/78/33/81/807783381.db2.gz SDDIPPSAOUYFCQ-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2cccc(-c3ncn(C)n3)c2)c[n-]1 ZINC000788937379 807783386 /nfs/dbraw/zinc/78/33/86/807783386.db2.gz SDDIPPSAOUYFCQ-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)[C@H](C)Nc1ncccn1 ZINC001113269814 808585321 /nfs/dbraw/zinc/58/53/21/808585321.db2.gz WTOCROZYMXIQBT-MNOVXSKESA-N -1 1 344.419 2.023 20 0 EEADMM Cc1nccc(NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001113416049 808945584 /nfs/dbraw/zinc/94/55/84/808945584.db2.gz BTDRTMMLGVPPLM-UHFFFAOYSA-N -1 1 329.404 2.096 20 0 EEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)O)cc1 ZINC000792203881 809651531 /nfs/dbraw/zinc/65/15/31/809651531.db2.gz SIFFRMNQAMTVBR-CYBMUJFWSA-N -1 1 349.408 2.333 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ccc(=O)n(-c3ccccc3F)c2)[n-]1 ZINC001170228110 809845369 /nfs/dbraw/zinc/84/53/69/809845369.db2.gz CTVQSUASJIZGFR-UHFFFAOYSA-N -1 1 338.302 2.092 20 0 EEADMM 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EEADMM C[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)n1cnc2ccccc21 ZINC000339194118 465134273 /nfs/dbraw/zinc/13/42/73/465134273.db2.gz BUAGCLVCGRCDTD-LLVKDONJSA-N -1 1 341.371 2.092 20 0 EEADMM COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000329352296 465309619 /nfs/dbraw/zinc/30/96/19/465309619.db2.gz DVIXPAPOGRGZQG-OLZOCXBDSA-N -1 1 341.791 2.074 20 0 EEADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(CCCCCO)CC2 ZINC000520823586 468274048 /nfs/dbraw/zinc/27/40/48/468274048.db2.gz JOAWGMRCULJVPB-HNNXBMFYSA-N -1 1 337.416 2.240 20 0 EEADMM Cc1cc2cccnc2c(NC(=O)CNC(=O)c2ncccc2[O-])c1 ZINC000351794583 465365107 /nfs/dbraw/zinc/36/51/07/465365107.db2.gz DBRCSMJPPXIHSO-UHFFFAOYSA-N -1 1 336.351 2.012 20 0 EEADMM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000113091309 462569675 /nfs/dbraw/zinc/56/96/75/462569675.db2.gz UXWQASWXPRPBHW-VIFPVBQESA-N -1 1 331.821 2.083 20 0 EEADMM CCn1c(CCNC(=O)CCSc2ccccn2)n[n-]c1=S ZINC000087335555 462602383 /nfs/dbraw/zinc/60/23/83/462602383.db2.gz 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COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048440197 462910129 /nfs/dbraw/zinc/91/01/29/462910129.db2.gz UIKZBQLBTZDIMG-YFKPBYRVSA-N -1 1 346.619 2.487 20 0 EEADMM COC(=O)Nc1cccc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638061 462915693 /nfs/dbraw/zinc/91/56/93/462915693.db2.gz WXHHANCMPVXWDC-UHFFFAOYSA-N -1 1 347.400 2.384 20 0 EEADMM CC(C)n1c(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)n[n-]c1=S ZINC000076997297 462933350 /nfs/dbraw/zinc/93/33/50/462933350.db2.gz SUWZEFPTDCVYKC-GFCCVEGCSA-N -1 1 336.392 2.281 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)c3cnc4ccccn43)[nH]c21 ZINC000535774934 468328363 /nfs/dbraw/zinc/32/83/63/468328363.db2.gz BRJQPTGQIZECNA-UHFFFAOYSA-N -1 1 335.323 2.250 20 0 EEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000015756109 462962011 /nfs/dbraw/zinc/96/20/11/462962011.db2.gz OEDAOIPSWJDYHI-UHFFFAOYSA-N -1 1 326.324 2.125 20 0 EEADMM CCn1c(CCNC(=O)c2cc(-c3ccccc3)n[nH]2)n[n-]c1=S ZINC000067077557 462963719 /nfs/dbraw/zinc/96/37/19/462963719.db2.gz 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CN(CCc1cn(CC(=O)[O-])nn1)Cc1cccc(Cl)c1Cl ZINC000830800691 604826456 /nfs/dbraw/zinc/82/64/56/604826456.db2.gz TVWLCQVOSYZKPQ-UHFFFAOYSA-N -1 1 343.214 2.344 20 0 EEADMM Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833760940 604923922 /nfs/dbraw/zinc/92/39/22/604923922.db2.gz VNPROPPGWIVSHU-INIZCTEOSA-N -1 1 347.390 2.203 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(Cl)cc1F ZINC000833742124 605107246 /nfs/dbraw/zinc/10/72/46/605107246.db2.gz FTSXENOGFOVGSW-LLVKDONJSA-N -1 1 342.798 2.409 20 0 EEADMM CC(C)Oc1cccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833507115 605108144 /nfs/dbraw/zinc/10/81/44/605108144.db2.gz UQENEGVJRQASHM-HNNXBMFYSA-N -1 1 348.443 2.024 20 0 EEADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833612536 605141964 /nfs/dbraw/zinc/14/19/64/605141964.db2.gz UCAOETPCJWBXAB-MGPQQGTHSA-N -1 1 325.453 2.002 20 0 EEADMM CCc1nn(C)cc1CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833677776 605238904 /nfs/dbraw/zinc/23/89/04/605238904.db2.gz CNOIJBWUZYEDRB-AWEZNQCLSA-N -1 1 342.443 2.391 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)CCN1CCC(=O)[O-] ZINC000833621101 605250093 /nfs/dbraw/zinc/25/00/93/605250093.db2.gz JSAJDUGJXNGQKH-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCN1CCC(=O)[O-] ZINC000833625639 605255088 /nfs/dbraw/zinc/25/50/88/605255088.db2.gz ZGERXWUIMXIKHU-LLVKDONJSA-N -1 1 344.333 2.326 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCN1CCC(=O)[O-] ZINC000833619251 605258817 /nfs/dbraw/zinc/25/88/17/605258817.db2.gz BRJJJZPWNCQPOX-AWEZNQCLSA-N -1 1 330.428 2.186 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833386805 605275593 /nfs/dbraw/zinc/27/55/93/605275593.db2.gz SRMXGQZIEIAPAP-YBEMTRGBSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833471913 605550272 /nfs/dbraw/zinc/55/02/72/605550272.db2.gz QWZVQGKETYNGDR-INIZCTEOSA-N -1 1 349.431 2.344 20 0 EEADMM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043371 606169904 /nfs/dbraw/zinc/16/99/04/606169904.db2.gz OIHOYGLQEZBHSN-CMPLNLGQSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043371 606169905 /nfs/dbraw/zinc/16/99/05/606169905.db2.gz OIHOYGLQEZBHSN-CMPLNLGQSA-N -1 1 332.412 2.081 20 0 EEADMM Cc1cc(C)c(CNc2snc(Cl)c2-c2nnn[n-]2)c(=O)[nH]1 ZINC000822193960 606443924 /nfs/dbraw/zinc/44/39/24/606443924.db2.gz BJXFBIOHRWQOEC-UHFFFAOYSA-N -1 1 337.796 2.306 20 0 EEADMM Cc1cc(C)c(CNc2snc(Cl)c2-c2nn[n-]n2)c(=O)[nH]1 ZINC000822193960 606443925 /nfs/dbraw/zinc/44/39/25/606443925.db2.gz BJXFBIOHRWQOEC-UHFFFAOYSA-N -1 1 337.796 2.306 20 0 EEADMM COc1ccc(C(C)=O)c(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821777938 606487471 /nfs/dbraw/zinc/48/74/71/606487471.db2.gz PEAHFZAICYCGFG-UHFFFAOYSA-N -1 1 344.352 2.359 20 0 EEADMM COc1ccc(C(C)=O)c(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821777938 606487472 /nfs/dbraw/zinc/48/74/72/606487472.db2.gz PEAHFZAICYCGFG-UHFFFAOYSA-N -1 1 344.352 2.359 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823478169 606575582 /nfs/dbraw/zinc/57/55/82/606575582.db2.gz HNGMUNCCCDFHAY-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823478169 606575583 /nfs/dbraw/zinc/57/55/83/606575583.db2.gz HNGMUNCCCDFHAY-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@H](C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccc2ccccc2c1 ZINC000819883583 606605842 /nfs/dbraw/zinc/60/58/42/606605842.db2.gz IKFRWESKWSOYNO-JTQLQIEISA-N -1 1 333.355 2.243 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2ccsc2[nH]1 ZINC000823436212 606650059 /nfs/dbraw/zinc/65/00/59/606650059.db2.gz MEDASMGYCAMXMM-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM CC(C)(C)c1nc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cs1 ZINC000819965587 607024747 /nfs/dbraw/zinc/02/47/47/607024747.db2.gz JAMJVNISARMYGQ-UHFFFAOYSA-N -1 1 349.445 2.258 20 0 EEADMM CC(C)(C)c1nc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cs1 ZINC000819965587 607024749 /nfs/dbraw/zinc/02/47/49/607024749.db2.gz JAMJVNISARMYGQ-UHFFFAOYSA-N -1 1 349.445 2.258 20 0 EEADMM FC(F)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000822728709 607040160 /nfs/dbraw/zinc/04/01/60/607040160.db2.gz KHPYUNYVCZPMPJ-UHFFFAOYSA-N -1 1 331.330 2.291 20 0 EEADMM FC(F)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000822728709 607040161 /nfs/dbraw/zinc/04/01/61/607040161.db2.gz KHPYUNYVCZPMPJ-UHFFFAOYSA-N -1 1 331.330 2.291 20 0 EEADMM CCNc1nc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])s1 ZINC000821308848 607049260 /nfs/dbraw/zinc/04/92/60/607049260.db2.gz GHQZVCNSIXTZEX-UHFFFAOYSA-N -1 1 345.388 2.021 20 0 EEADMM CCN(CC)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821197302 607105782 /nfs/dbraw/zinc/10/57/82/607105782.db2.gz IJMIRZWPDYMCNQ-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM CCN(CC)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821197302 607105784 /nfs/dbraw/zinc/10/57/84/607105784.db2.gz IJMIRZWPDYMCNQ-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM COc1cccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826217502 607865497 /nfs/dbraw/zinc/86/54/97/607865497.db2.gz PKWACAAMEAHSDX-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM COc1cccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826217502 607865498 /nfs/dbraw/zinc/86/54/98/607865498.db2.gz PKWACAAMEAHSDX-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM CC[C@@H](C)c1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825074977 608013488 /nfs/dbraw/zinc/01/34/88/608013488.db2.gz MDWSSGLYGIYQLO-LLVKDONJSA-N -1 1 325.376 2.215 20 0 EEADMM CC[C@@H](C)c1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825074977 608013489 /nfs/dbraw/zinc/01/34/89/608013489.db2.gz MDWSSGLYGIYQLO-LLVKDONJSA-N -1 1 325.376 2.215 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825146637 608232323 /nfs/dbraw/zinc/23/23/23/608232323.db2.gz DZZAXMJIXQEJNQ-NQXXGFSBSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825146637 608232324 /nfs/dbraw/zinc/23/23/24/608232324.db2.gz DZZAXMJIXQEJNQ-NQXXGFSBSA-N -1 1 342.734 2.090 20 0 EEADMM Clc1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC000826352095 608401805 /nfs/dbraw/zinc/40/18/05/608401805.db2.gz NDCCGGDPBRMRAV-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC000826352095 608401807 /nfs/dbraw/zinc/40/18/07/608401807.db2.gz NDCCGGDPBRMRAV-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1cc2c(cc1Sc1ccc(-c3nnn[n-]3)nn1)OCCO2 ZINC000826351240 608412254 /nfs/dbraw/zinc/41/22/54/608412254.db2.gz FENFNJDXZWGFAJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cc2c(cc1Sc1ccc(-c3nn[n-]n3)nn1)OCCO2 ZINC000826351240 608412256 /nfs/dbraw/zinc/41/22/56/608412256.db2.gz FENFNJDXZWGFAJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824457751 608420630 /nfs/dbraw/zinc/42/06/30/608420630.db2.gz RMVLNTPNJUKNDH-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824457751 608420631 /nfs/dbraw/zinc/42/06/31/608420631.db2.gz RMVLNTPNJUKNDH-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824191482 608426908 /nfs/dbraw/zinc/42/69/08/608426908.db2.gz FVWMCTHKXRGXEU-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824191482 608426909 /nfs/dbraw/zinc/42/69/09/608426909.db2.gz FVWMCTHKXRGXEU-HNNXBMFYSA-N -1 1 341.394 2.499 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826377013 608428603 /nfs/dbraw/zinc/42/86/03/608428603.db2.gz ARHHOZBHRUPITR-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826377013 608428604 /nfs/dbraw/zinc/42/86/04/608428604.db2.gz ARHHOZBHRUPITR-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM CC(C)(C)[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1cccs1 ZINC000824070748 608893486 /nfs/dbraw/zinc/89/34/86/608893486.db2.gz BPKZATGXHWAIFY-LBPRGKRZSA-N -1 1 345.432 2.028 20 0 EEADMM CC(C)(C)[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1cccs1 ZINC000824070748 608893489 /nfs/dbraw/zinc/89/34/89/608893489.db2.gz BPKZATGXHWAIFY-LBPRGKRZSA-N -1 1 345.432 2.028 20 0 EEADMM Cc1nc(CCN2CC([C@@H](C)NC(=O)c3ccccc3O)C2)cs1 ZINC000969326721 674843606 /nfs/dbraw/zinc/84/36/06/674843606.db2.gz JNCDEFDYGJUUKB-GFCCVEGCSA-N -1 1 345.468 2.450 20 0 EEADMM Cc1cc(CN2CC([C@H](C)NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC000969499994 675078860 /nfs/dbraw/zinc/07/88/60/675078860.db2.gz DYHCYYZYGAPATD-JTQLQIEISA-N -1 1 334.445 2.044 20 0 EEADMM O=C(CC1CCCC1)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021441901 676085926 /nfs/dbraw/zinc/08/59/26/676085926.db2.gz PMTZRVZBSMNLCY-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)(C)[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1 ZINC000079587555 675439790 /nfs/dbraw/zinc/43/97/90/675439790.db2.gz DTKCDXXIVFSDAQ-DGCLKSJQSA-N -1 1 337.420 2.376 20 0 EEADMM C[C@@H]1CN(C(=O)C2=CCCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020733410 675460063 /nfs/dbraw/zinc/46/00/63/675460063.db2.gz YORBAUPADZANJP-UKRRQHHQSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624880 676733892 /nfs/dbraw/zinc/73/38/92/676733892.db2.gz TZMZIFHRRAZKDL-CQSZACIVSA-N -1 1 346.431 2.037 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C(C)=C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984858103 685339181 /nfs/dbraw/zinc/33/91/81/685339181.db2.gz UKQZTFILFCQPDV-LSDHHAIUSA-N -1 1 343.427 2.397 20 0 EEADMM Cc1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000310727390 681637674 /nfs/dbraw/zinc/63/76/74/681637674.db2.gz BAXVRYSBHMVUAO-OAHLLOKOSA-N -1 1 339.395 2.093 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983050642 681722496 /nfs/dbraw/zinc/72/24/96/681722496.db2.gz YSUZCGFSSRGJBQ-MGPQQGTHSA-N -1 1 345.443 2.048 20 0 EEADMM Cn1c(CNC(=O)CNc2cccc(C(F)(F)F)c2)n[n-]c1=S ZINC000066625993 681740461 /nfs/dbraw/zinc/74/04/61/681740461.db2.gz JVKXQHPOKPPYIC-UHFFFAOYSA-N -1 1 345.350 2.225 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)N(C)C)c1 ZINC000327578269 681932164 /nfs/dbraw/zinc/93/21/64/681932164.db2.gz FVPLNNWCZJTIQM-INMHGKMJSA-N -1 1 348.443 2.305 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1)c1ncccc1[O-] ZINC000982638772 681946411 /nfs/dbraw/zinc/94/64/11/681946411.db2.gz JFHJSMOPWPIUAY-GFCCVEGCSA-N -1 1 347.390 2.163 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1=CCCC1 ZINC000983570669 682873826 /nfs/dbraw/zinc/87/38/26/682873826.db2.gz NEPUMDDHEDHJKD-ZIAGYGMSSA-N -1 1 329.400 2.055 20 0 EEADMM COCc1nc(N2CCC3(CC2)OCc2ccccc23)cc(=O)[n-]1 ZINC000892917959 683197786 /nfs/dbraw/zinc/19/77/86/683197786.db2.gz SYRWWVVDGSMZIL-UHFFFAOYSA-N -1 1 327.384 2.355 20 0 EEADMM O=C(N[C@@H]1C[C@H](NC(=O)C2CCCC2)C12CCC2)c1ncccc1[O-] ZINC001025854208 683365588 /nfs/dbraw/zinc/36/55/88/683365588.db2.gz NUFAVMVKBCKCQK-LSDHHAIUSA-N -1 1 343.427 2.135 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)c(OC)c(F)c2)o1 ZINC000914384397 683547128 /nfs/dbraw/zinc/54/71/28/683547128.db2.gz ADZWMUXSVRJPBH-UHFFFAOYSA-N -1 1 332.328 2.002 20 0 EEADMM CC(C)[C@H](NC(=O)c1nnc2ccccc2c1O)C(=O)OC(C)(C)C ZINC000152927906 683590747 /nfs/dbraw/zinc/59/07/47/683590747.db2.gz KRDMJUANATYSRG-ZDUSSCGKSA-N -1 1 345.399 2.019 20 0 EEADMM CCCn1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cn1 ZINC000174745250 683591132 /nfs/dbraw/zinc/59/11/32/683591132.db2.gz GEQXPHVSOXWCRW-UHFFFAOYSA-N -1 1 327.381 2.253 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000983856263 683621750 /nfs/dbraw/zinc/62/17/50/683621750.db2.gz AGQJSJCDTXPWBM-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H](Oc1cccc(F)c1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000914655601 683929991 /nfs/dbraw/zinc/92/99/91/683929991.db2.gz SJRSIZVQWXLSRV-GFCCVEGCSA-N -1 1 345.326 2.093 20 0 EEADMM O=C(NC[C@H]1C[C@@H](NC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000978741301 693863990 /nfs/dbraw/zinc/86/39/90/693863990.db2.gz JGNWHUCOOYSPMP-OTVXOJSOSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1)C(=O)[O-] ZINC000909525221 684665003 /nfs/dbraw/zinc/66/50/03/684665003.db2.gz WKTLVYLHCGERFW-DGCLKSJQSA-N -1 1 327.384 2.417 20 0 EEADMM COCCOCCCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896037125 684814369 /nfs/dbraw/zinc/81/43/69/684814369.db2.gz PSAWHORQLHSNRU-UHFFFAOYSA-N -1 1 333.384 2.424 20 0 EEADMM Cc1ccc(-c2ncco2)cc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909556010 685693601 /nfs/dbraw/zinc/69/36/01/685693601.db2.gz JFUDFVFNIZEUFV-CQSZACIVSA-N -1 1 343.383 2.385 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000866905072 685989888 /nfs/dbraw/zinc/98/98/88/685989888.db2.gz MAJPANGYVNTVHB-GXSJLCMTSA-N -1 1 342.244 2.470 20 0 EEADMM CC(C)(C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059516527 686287113 /nfs/dbraw/zinc/28/71/13/686287113.db2.gz OOZRIHMWJQSRET-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059516526 686287288 /nfs/dbraw/zinc/28/72/88/686287288.db2.gz OOZRIHMWJQSRET-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM 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EEADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@]2(NC(=O)c2ncccc2[O-])C1 ZINC001007358329 1222188750 /nfs/dbraw/zinc/18/87/50/1222188750.db2.gz YUQJNCJHJOASNJ-LIRRHRJNSA-N -1 1 343.427 2.088 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001008069238 1222602767 /nfs/dbraw/zinc/60/27/67/1222602767.db2.gz KQYNFBIRHZDADC-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)=CC(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014253789 1226416213 /nfs/dbraw/zinc/41/62/13/1226416213.db2.gz SYTDAFMYBBKZRS-RDTXWAMCSA-N -1 1 329.400 2.007 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014261875 1226426195 /nfs/dbraw/zinc/42/61/95/1226426195.db2.gz YFEDTVLGPZBSDJ-DZDCQFRTSA-N -1 1 343.427 2.087 20 0 EEADMM CCc1nc(C)cc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001067076535 1226541702 /nfs/dbraw/zinc/54/17/02/1226541702.db2.gz RGQPYQGXRKYTMG-YPMHNXCESA-N -1 1 341.415 2.021 20 0 EEADMM O=C(N[C@@H]1CC12CCN(Cc1cscn1)CC2)c1ncccc1[O-] ZINC001016590691 1226660621 /nfs/dbraw/zinc/66/06/21/1226660621.db2.gz JIRFLZFUCDFSBM-CQSZACIVSA-N -1 1 344.440 2.028 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001017125064 1227146482 /nfs/dbraw/zinc/14/64/82/1227146482.db2.gz GVNOIQNUPDGMLV-ZDUSSCGKSA-N -1 1 349.479 2.007 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2ccccc2C2CC2)c1[O-] ZINC001038165701 1229673097 /nfs/dbraw/zinc/67/30/97/1229673097.db2.gz RSEJIJDXYOVESL-HNNXBMFYSA-N -1 1 340.427 2.305 20 0 EEADMM CN(CCCN(C)C(=O)c1ncccc1[O-])C(=O)CCCC1CC1 ZINC001067254897 1229778706 /nfs/dbraw/zinc/77/87/06/1229778706.db2.gz SMRLKWDUTRSSIY-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CN(CCCN(C)C(=O)C1CCC=CCC1)C(=O)c1ncccc1[O-] ZINC001067254938 1229779937 /nfs/dbraw/zinc/77/99/37/1229779937.db2.gz WBBSSQMTHALZGZ-UHFFFAOYSA-N -1 1 345.443 2.454 20 0 EEADMM Cc1nn(C)c([N-]S(=O)(=O)c2ccccc2)c1Br ZINC000381910249 1231170273 /nfs/dbraw/zinc/17/02/73/1231170273.db2.gz MZMLNGJBNGKRBO-UHFFFAOYSA-N -1 1 330.207 2.292 20 0 EEADMM Cc1ccc(N[C@@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)nn1 ZINC001041587335 1231610610 /nfs/dbraw/zinc/61/06/10/1231610610.db2.gz AUVHGJKMLXZGEB-KGLIPLIRSA-N -1 1 339.399 2.039 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CC[C@@H]2CCCC2(F)F)C1 ZINC001042646154 1232128378 /nfs/dbraw/zinc/12/83/78/1232128378.db2.gz LVECKRMDUCAFGK-LBPRGKRZSA-N -1 1 339.386 2.369 20 0 EEADMM COc1ccc(OC)c(CNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900082503 1234002411 /nfs/dbraw/zinc/00/24/11/1234002411.db2.gz ADDKJRYAFYPYOC-UHFFFAOYSA-N -1 1 329.356 2.007 20 0 EEADMM CC[C@H](C)c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1C ZINC000800735451 1234492320 /nfs/dbraw/zinc/49/23/20/1234492320.db2.gz YZYYZNYOSKCBQD-JTQLQIEISA-N -1 1 347.385 2.224 20 0 EEADMM CSc1nc(CNC(=O)Cc2c(F)cccc2F)cc(=O)[n-]1 ZINC001413202882 1234734373 /nfs/dbraw/zinc/73/43/73/1234734373.db2.gz YZOZFLFRMADKNN-UHFFFAOYSA-N -1 1 325.340 2.041 20 0 EEADMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](O)c1ccc(F)cc1 ZINC000901136179 1235268033 /nfs/dbraw/zinc/26/80/33/1235268033.db2.gz BDLYGLQISQRAOU-YMTOWFKASA-N -1 1 331.347 2.051 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000901319744 1235541604 /nfs/dbraw/zinc/54/16/04/1235541604.db2.gz LMSMLDKTQSTTEN-ZDUSSCGKSA-N -1 1 343.424 2.009 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCC(=O)N[C@H](C)CC)n1 ZINC000801418925 1235550362 /nfs/dbraw/zinc/55/03/62/1235550362.db2.gz XLZXWYRSMZKDJR-GFCCVEGCSA-N -1 1 345.399 2.212 20 0 EEADMM O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nc([O-])cc(=O)[nH]1 ZINC001413345531 1235649896 /nfs/dbraw/zinc/64/98/96/1235649896.db2.gz RRXXEWZMMAJIPR-UHFFFAOYSA-N -1 1 342.182 2.444 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)C2)c1F ZINC001413350866 1235784810 /nfs/dbraw/zinc/78/48/10/1235784810.db2.gz FAWPTCWQQILQGI-UWVGGRQHSA-N -1 1 347.383 2.466 20 0 EEADMM Cc1c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cnn1-c1cccc(C)c1 ZINC000801702821 1236055916 /nfs/dbraw/zinc/05/59/16/1236055916.db2.gz BGULCMUIAKJANP-UHFFFAOYSA-N -1 1 346.394 2.397 20 0 EEADMM O=C(NCc1ccnc(N2CCOCC2)c1)c1c([O-])cccc1Cl ZINC000146922118 1236281814 /nfs/dbraw/zinc/28/18/14/1236281814.db2.gz BAZUSHZELMMCET-UHFFFAOYSA-N -1 1 347.802 2.207 20 0 EEADMM CC(C)(C)n1cc(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)nn1 ZINC000901889059 1236551267 /nfs/dbraw/zinc/55/12/67/1236551267.db2.gz YODDCXHPQOLOBI-HOTGVXAUSA-N -1 1 328.416 2.333 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)[C@H]1CC1(C)C)NC(=O)c1ncccc1[O-] ZINC001413458413 1237777054 /nfs/dbraw/zinc/77/70/54/1237777054.db2.gz JGNWWIGSTXTXEY-DGCLKSJQSA-N -1 1 333.432 2.094 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ncncc1Cl ZINC001048643784 1238172805 /nfs/dbraw/zinc/17/28/05/1238172805.db2.gz VQHNTQVDQKGVIC-NWDGAFQWSA-N -1 1 347.806 2.018 20 0 EEADMM O=C(NC[C@@H]1CCCC2(CCC2)O1)c1nc2ccccc2c(=O)[n-]1 ZINC000902972508 1239240689 /nfs/dbraw/zinc/24/06/89/1239240689.db2.gz VTDFNXCSISDDJD-LBPRGKRZSA-N -1 1 327.384 2.145 20 0 EEADMM COC(=O)CCc1cccc(NC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001413482568 1239248919 /nfs/dbraw/zinc/24/89/19/1239248919.db2.gz QKFLZSYSDOYCFP-UHFFFAOYSA-N -1 1 347.396 2.262 20 0 EEADMM C[C@]1(CS(=O)(=O)[N-]c2nc(C(F)F)n[nH]2)CC1(Cl)Cl ZINC000903150145 1239877904 /nfs/dbraw/zinc/87/79/04/1239877904.db2.gz NDGNYBMAWLEBMC-SSDOTTSWSA-N -1 1 335.163 2.068 20 0 EEADMM Cc1nc2ccc([N-]S(=O)(=O)c3cnc4n3CCCC4)cc2[nH]1 ZINC000903614518 1241170694 /nfs/dbraw/zinc/17/06/94/1241170694.db2.gz DSTYKUIGGMXYFS-UHFFFAOYSA-N -1 1 331.401 2.205 20 0 EEADMM O=S(=O)(Cc1c(F)cccc1F)[N-]C1(c2ccccc2)COC1 ZINC000903665275 1241466446 /nfs/dbraw/zinc/46/64/46/1241466446.db2.gz QPJDATAMSVCUBA-UHFFFAOYSA-N -1 1 339.363 2.310 20 0 EEADMM CN(Cc1ccns1)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001073998344 1242893766 /nfs/dbraw/zinc/89/37/66/1242893766.db2.gz OUXZYVNAZVNESY-CYBMUJFWSA-N -1 1 346.456 2.370 20 0 EEADMM CC(C)=C(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001055299824 1250072258 /nfs/dbraw/zinc/07/22/58/1250072258.db2.gz RUTBLSQAWCSLBM-GASCZTMLSA-N -1 1 343.427 2.064 20 0 EEADMM Cc1csc2c1ncnc2N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001097764444 1244581481 /nfs/dbraw/zinc/58/14/81/1244581481.db2.gz GXGYLTDGIWFSFK-SNVBAGLBSA-N -1 1 343.412 2.331 20 0 EEADMM C[C@H](Nc1cc(F)ncn1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058006291 1248251033 /nfs/dbraw/zinc/25/10/33/1248251033.db2.gz CTKUORJMNVCMQK-RYUDHWBXSA-N -1 1 345.378 2.212 20 0 EEADMM CC(C)c1nccc(N2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001058147421 1248541404 /nfs/dbraw/zinc/54/14/04/1248541404.db2.gz IIOVBBIMQHPBGF-CYBMUJFWSA-N -1 1 341.415 2.099 20 0 EEADMM O=C(N[C@H]1C[C@H](CNc2ccnc(C3CC3)n2)C1)c1ncccc1[O-] ZINC001068475762 1251133914 /nfs/dbraw/zinc/13/39/14/1251133914.db2.gz JEOAFGKGECDPFV-AULYBMBSSA-N -1 1 339.399 2.075 20 0 EEADMM CC(C)c1nsc(N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069063053 1252165667 /nfs/dbraw/zinc/16/56/67/1252165667.db2.gz MCXOELRDEUMYEH-QWRGUYRKSA-N -1 1 347.444 2.477 20 0 EEADMM CCC1(NC(=O)C=C(C)C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322881 1252745168 /nfs/dbraw/zinc/74/51/68/1252745168.db2.gz USUCRZFFYNBJRJ-UHFFFAOYSA-N -1 1 331.416 2.254 20 0 EEADMM CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC001185598205 1278712103 /nfs/dbraw/zinc/71/21/03/1278712103.db2.gz XMQHWHKXRHUETR-UHFFFAOYSA-N -1 1 347.425 2.389 20 0 EEADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185991478 1278880619 /nfs/dbraw/zinc/88/06/19/1278880619.db2.gz RCMCCAKPBGXNLM-UHFFFAOYSA-N -1 1 345.380 2.079 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)[C@@H]1CC(=O)c2cc(Cl)ccc21 ZINC001186241046 1279003032 /nfs/dbraw/zinc/00/30/32/1279003032.db2.gz RBNPNXZWTZTWIB-MRVPVSSYSA-N -1 1 348.702 2.248 20 0 EEADMM O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc4nsnc4c3)ccc2o1 ZINC001186270926 1279020436 /nfs/dbraw/zinc/02/04/36/1279020436.db2.gz JGSZNYVSSSNJDN-UHFFFAOYSA-N -1 1 348.365 2.339 20 0 EEADMM O=C(c1ccco1)N1CC[C@H]2CN(C(=O)c3ccc([O-])cc3F)C[C@H]21 ZINC001186327805 1279042356 /nfs/dbraw/zinc/04/23/56/1279042356.db2.gz RNGWYVATBHPCBT-XHDPSFHLSA-N -1 1 344.342 2.111 20 0 EEADMM COC(=O)C1(C)CCC(C(=O)Nc2cc(=O)[n-]c(SC)n2)CC1 ZINC001187176145 1279438731 /nfs/dbraw/zinc/43/87/31/1279438731.db2.gz JNDKIJANGSHGPR-UHFFFAOYSA-N -1 1 339.417 2.212 20 0 EEADMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)o1 ZINC001187216884 1279462559 /nfs/dbraw/zinc/46/25/59/1279462559.db2.gz FVZQZFBJRYKSQU-GFCCVEGCSA-N -1 1 339.344 2.485 20 0 EEADMM CCOCCS(=O)(=O)[N-]c1cc(C(=O)OCC)cc(F)c1C ZINC001187286376 1279477864 /nfs/dbraw/zinc/47/78/64/1279477864.db2.gz INQXVBSDRSEZLL-UHFFFAOYSA-N -1 1 333.381 2.089 20 0 EEADMM O=C(NCc1ccc(-c2ncccn2)cc1)c1n[n-]nc1C(F)(F)F ZINC001187773480 1279634089 /nfs/dbraw/zinc/63/40/89/1279634089.db2.gz HVBRVOKOVULDEP-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1noc2cccnc21 ZINC001187981265 1279726573 /nfs/dbraw/zinc/72/65/73/1279726573.db2.gz ZYTIRIAFPJPJAV-UHFFFAOYSA-N -1 1 346.368 2.237 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC001188486009 1279891783 /nfs/dbraw/zinc/89/17/83/1279891783.db2.gz 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2.402 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)c2c(O)cccc21 ZINC001609168254 1351874977 /nfs/dbraw/zinc/87/49/77/1351874977.db2.gz UYOHBKYUEHSRGE-SNVBAGLBSA-N -1 1 336.355 2.121 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)c2c(O)cccc21 ZINC001609168254 1351874984 /nfs/dbraw/zinc/87/49/84/1351874984.db2.gz UYOHBKYUEHSRGE-SNVBAGLBSA-N -1 1 336.355 2.121 20 0 EEADMM CC/C=C\CCn1c(C)c(Br)cc(-c2nn[n-]n2)c1=O ZINC001609203338 1351889661 /nfs/dbraw/zinc/88/96/61/1351889661.db2.gz IXAWCHQNTGWNDA-PLNGDYQASA-N -1 1 338.209 2.456 20 0 EEADMM CN(Cc1nccs1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609281880 1351921215 /nfs/dbraw/zinc/92/12/15/1351921215.db2.gz NUSSVANNXXAJPO-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CN(Cc1nccs1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609281880 1351921219 /nfs/dbraw/zinc/92/12/19/1351921219.db2.gz NUSSVANNXXAJPO-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2csc(-c3nn[n-]n3)c2)C1(C)C ZINC001609312519 1351929076 /nfs/dbraw/zinc/92/90/76/1351929076.db2.gz HOBKDLQANFZXSO-IAQYHMDHSA-N -1 1 335.433 2.204 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)c1F ZINC000859122015 1369429681 /nfs/dbraw/zinc/42/96/81/1369429681.db2.gz FOLMNUIFGZMATK-SCZZXKLOSA-N -1 1 333.356 2.218 20 0 EEADMM COc1coc(CSc2cccc(F)c2-c2nn[n-]n2)cc1=O ZINC001609365297 1351948025 /nfs/dbraw/zinc/94/80/25/1351948025.db2.gz PPSVOOMXJBQEAE-UHFFFAOYSA-N -1 1 334.332 2.260 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001609468017 1351988492 /nfs/dbraw/zinc/98/84/92/1351988492.db2.gz DETHZIPSWCXDRS-QMMMGPOBSA-N -1 1 346.347 2.367 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 ZINC001609468017 1351988494 /nfs/dbraw/zinc/98/84/94/1351988494.db2.gz DETHZIPSWCXDRS-QMMMGPOBSA-N -1 1 346.347 2.367 20 0 EEADMM Cn1cccc1[C@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609480449 1351992395 /nfs/dbraw/zinc/99/23/95/1351992395.db2.gz HYLNEKDSJMMRDX-GFCCVEGCSA-N -1 1 328.401 2.244 20 0 EEADMM Fc1ccccc1N1CC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609492374 1351997565 /nfs/dbraw/zinc/99/75/65/1351997565.db2.gz ADGIRMLVQHAHEO-NSHDSACASA-N -1 1 325.351 2.092 20 0 EEADMM Fc1ccccc1N1CC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609492374 1351997567 /nfs/dbraw/zinc/99/75/67/1351997567.db2.gz ADGIRMLVQHAHEO-NSHDSACASA-N -1 1 325.351 2.092 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001609578677 1352024662 /nfs/dbraw/zinc/02/46/62/1352024662.db2.gz XEYWOROVESZXKW-WDEREUQCSA-N -1 1 345.359 2.309 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001609578677 1352024666 /nfs/dbraw/zinc/02/46/66/1352024666.db2.gz XEYWOROVESZXKW-WDEREUQCSA-N -1 1 345.359 2.309 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001609611774 1352036566 /nfs/dbraw/zinc/03/65/66/1352036566.db2.gz QUXMZCOKUORQRL-SSDOTTSWSA-N -1 1 334.792 2.262 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001609611774 1352036574 /nfs/dbraw/zinc/03/65/74/1352036574.db2.gz QUXMZCOKUORQRL-SSDOTTSWSA-N -1 1 334.792 2.262 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)[C@@H]3CCOC[C@H]23)cc1 ZINC001609617189 1352040574 /nfs/dbraw/zinc/04/05/74/1352040574.db2.gz ZMBWPNJSKKQCPY-LZLYRXPVSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)[C@@H]3CCOC[C@H]23)cc1 ZINC001609617189 1352040576 /nfs/dbraw/zinc/04/05/76/1352040576.db2.gz ZMBWPNJSKKQCPY-LZLYRXPVSA-N -1 1 348.410 2.271 20 0 EEADMM c1sc(CNc2ccccc2O[C@H]2CCOC2)nc1-c1nnn[n-]1 ZINC001609617545 1352041096 /nfs/dbraw/zinc/04/10/96/1352041096.db2.gz AXQFLFJCJWTQSC-JTQLQIEISA-N -1 1 344.400 2.103 20 0 EEADMM c1sc(CNc2ccccc2O[C@H]2CCOC2)nc1-c1nn[n-]n1 ZINC001609617545 1352041100 /nfs/dbraw/zinc/04/11/00/1352041100.db2.gz AXQFLFJCJWTQSC-JTQLQIEISA-N -1 1 344.400 2.103 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCC1CCOCC1 ZINC001609618204 1352041833 /nfs/dbraw/zinc/04/18/33/1352041833.db2.gz YDWQTPCQAGTAOG-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCC1CCOCC1 ZINC001609618204 1352041836 /nfs/dbraw/zinc/04/18/36/1352041836.db2.gz YDWQTPCQAGTAOG-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccc(Cl)c1 ZINC001609632838 1352046382 /nfs/dbraw/zinc/04/63/82/1352046382.db2.gz HWMLLZPOKDTRMZ-CHWSQXEVSA-N -1 1 338.835 2.451 20 0 EEADMM CC(C)C[C@H](CN1CC[C@@](F)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001609692248 1352060945 /nfs/dbraw/zinc/06/09/45/1352060945.db2.gz KZZJMWBRSDLBHQ-WBMJQRKESA-N -1 1 332.416 2.424 20 0 EEADMM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC001335528870 1336390545 /nfs/dbraw/zinc/39/05/45/1336390545.db2.gz JSCMLOWCAQHNBO-IUCAKERBSA-N -1 1 325.217 2.234 20 0 EEADMM O=C(COC(=O)c1nc(Cl)ccc1F)c1ccc([O-])cc1O ZINC001335903739 1336445607 /nfs/dbraw/zinc/44/56/07/1336445607.db2.gz DHEATSVMUSUKOP-UHFFFAOYSA-N -1 1 325.679 2.325 20 0 EEADMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001609839702 1352098186 /nfs/dbraw/zinc/09/81/86/1352098186.db2.gz WDJDSQILEFYPDE-DTWKUNHWSA-N -1 1 327.331 2.219 20 0 EEADMM CN(C[C@@H]1CCCOC1)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001338973599 1336939613 /nfs/dbraw/zinc/93/96/13/1336939613.db2.gz GVLVEEXVFWWELG-JTQLQIEISA-N -1 1 337.811 2.099 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1C[C@@H](C(C)C)c2ccccc21 ZINC001340156668 1337130378 /nfs/dbraw/zinc/13/03/78/1337130378.db2.gz OKFYLYUJRAPSRB-ZDUSSCGKSA-N -1 1 338.419 2.293 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1C[C@@H](C(C)C)c2ccccc21 ZINC001340156668 1337130379 /nfs/dbraw/zinc/13/03/79/1337130379.db2.gz OKFYLYUJRAPSRB-ZDUSSCGKSA-N -1 1 338.419 2.293 20 0 EEADMM CCC(CC)(NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC001609916151 1352119136 /nfs/dbraw/zinc/11/91/36/1352119136.db2.gz VNMXMKUSRYWTTP-NSHDSACASA-N -1 1 342.386 2.245 20 0 EEADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001610124435 1352167592 /nfs/dbraw/zinc/16/75/92/1352167592.db2.gz TZJUVNNUSMQIAG-QGZVFWFLSA-N -1 1 344.386 2.471 20 0 EEADMM COCc1cc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001610271665 1352197145 /nfs/dbraw/zinc/19/71/45/1352197145.db2.gz XJJOPAPZUPHDJD-TXEJJXNPSA-N -1 1 335.404 2.088 20 0 EEADMM COc1cncc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001610369355 1352212204 /nfs/dbraw/zinc/21/22/04/1352212204.db2.gz OKXSOGPBTGEIKW-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM Cc1cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC001610461748 1352226679 /nfs/dbraw/zinc/22/66/79/1352226679.db2.gz OBUZSCVHLSARAD-GDBMZVCRSA-N -1 1 328.368 2.202 20 0 EEADMM Cc1cccn2c(=O)cc(CN[C@](C)(C(=O)[O-])c3ccccc3)nc12 ZINC001610534040 1352240246 /nfs/dbraw/zinc/24/02/46/1352240246.db2.gz WPAZKIPSPSNATF-IBGZPJMESA-N -1 1 337.379 2.093 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC001610542892 1352242102 /nfs/dbraw/zinc/24/21/02/1352242102.db2.gz LWLTWNKYQCTCTA-GFCCVEGCSA-N -1 1 336.413 2.309 20 0 EEADMM Nc1nccc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)n1 ZINC001610648943 1352257357 /nfs/dbraw/zinc/25/73/57/1352257357.db2.gz QZAGTYXKALGSNJ-LBPRGKRZSA-N -1 1 330.363 2.276 20 0 EEADMM Nc1ncc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)s1 ZINC001610648670 1352257439 /nfs/dbraw/zinc/25/74/39/1352257439.db2.gz JZKHXKKUTPVWRO-UHFFFAOYSA-N -1 1 327.356 2.480 20 0 EEADMM O=C([O-])C1(CNC(=O)c2ccn(-c3ccncc3)n2)CCCCC1 ZINC001610689363 1352260332 /nfs/dbraw/zinc/26/03/32/1352260332.db2.gz TWRCQEMXTGJRQW-UHFFFAOYSA-N -1 1 328.372 2.032 20 0 EEADMM Cc1cc(C)cc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001432960932 1341446500 /nfs/dbraw/zinc/44/65/00/1341446500.db2.gz FJPQYAOUIXIEOZ-CQSZACIVSA-N -1 1 341.411 2.200 20 0 EEADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC001433874168 1341710219 /nfs/dbraw/zinc/71/02/19/1341710219.db2.gz BAYIGRHDGQYQIZ-JTQLQIEISA-N -1 1 337.372 2.426 20 0 EEADMM C[C@@](O)(CNc1nc(-c2nn[nH]n2)c(Cl)s1)c1ccccc1 ZINC001575475040 1343803681 /nfs/dbraw/zinc/80/36/81/1343803681.db2.gz SFBVFEKVFCETAH-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM C[C@@](O)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccccc1 ZINC001575475040 1343803686 /nfs/dbraw/zinc/80/36/86/1343803686.db2.gz SFBVFEKVFCETAH-CYBMUJFWSA-N -1 1 336.808 2.296 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001577301142 1344124746 /nfs/dbraw/zinc/12/47/46/1344124746.db2.gz PCVBPUKKIRUMOO-SNVBAGLBSA-N -1 1 341.412 2.110 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001577301142 1344124750 /nfs/dbraw/zinc/12/47/50/1344124750.db2.gz PCVBPUKKIRUMOO-SNVBAGLBSA-N -1 1 341.412 2.110 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001579596806 1344397835 /nfs/dbraw/zinc/39/78/35/1344397835.db2.gz XWVASDWEZBWRFC-SJCJKPOMSA-N -1 1 343.435 2.174 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001579596806 1344397842 /nfs/dbraw/zinc/39/78/42/1344397842.db2.gz XWVASDWEZBWRFC-SJCJKPOMSA-N -1 1 343.435 2.174 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001579594416 1344398750 /nfs/dbraw/zinc/39/87/50/1344398750.db2.gz KZIPRXRHEODBAF-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001579594416 1344398752 /nfs/dbraw/zinc/39/87/52/1344398752.db2.gz KZIPRXRHEODBAF-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccsc2-c2nnn[n-]2)cc1OC ZINC001580035175 1344452478 /nfs/dbraw/zinc/45/24/78/1344452478.db2.gz MWFUGNACDPUSRQ-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccsc2-c2nn[n-]n2)cc1OC ZINC001580035175 1344452482 /nfs/dbraw/zinc/45/24/82/1344452482.db2.gz MWFUGNACDPUSRQ-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580079266 1344467609 /nfs/dbraw/zinc/46/76/09/1344467609.db2.gz FEYVMBFLIDFDBU-RHSMWYFYSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@@]1(C)C[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580079266 1344467612 /nfs/dbraw/zinc/46/76/12/1344467612.db2.gz FEYVMBFLIDFDBU-RHSMWYFYSA-N -1 1 337.387 2.116 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581260734 1344608291 /nfs/dbraw/zinc/60/82/91/1344608291.db2.gz ZZJXLTLPBKUBFM-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001581260734 1344608294 /nfs/dbraw/zinc/60/82/94/1344608294.db2.gz ZZJXLTLPBKUBFM-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)C2(C)CCC2)c1-c1nn[n-]n1 ZINC001581713929 1344658014 /nfs/dbraw/zinc/65/80/14/1344658014.db2.gz BWZQTTSIDXLVOL-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM NC(=O)c1cccc(CSc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001581905441 1344686807 /nfs/dbraw/zinc/68/68/07/1344686807.db2.gz JPMCCMUNBRMAQE-UHFFFAOYSA-N -1 1 329.360 2.397 20 0 EEADMM O=C(CSc1ccnc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC001582133746 1344705079 /nfs/dbraw/zinc/70/50/79/1344705079.db2.gz UVJSNIBXYITGJA-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(CSc1ccnc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC001582133746 1344705082 /nfs/dbraw/zinc/70/50/82/1344705082.db2.gz UVJSNIBXYITGJA-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1cccc(-c2nnn[n-]2)n1 ZINC001582337791 1344735668 /nfs/dbraw/zinc/73/56/68/1344735668.db2.gz UJIVPEGTVNATCF-SWLSCSKDSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1cccc(-c2nn[n-]n2)n1 ZINC001582337791 1344735669 /nfs/dbraw/zinc/73/56/69/1344735669.db2.gz UJIVPEGTVNATCF-SWLSCSKDSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCC(F)(F)C1 ZINC001582549793 1344760686 /nfs/dbraw/zinc/76/06/86/1344760686.db2.gz KAGGXNXQHDOHDP-MRVPVSSYSA-N -1 1 342.375 2.163 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3C[C@H]4CCC[C@H]4O3)c2-c2nn[n-]n2)cc1 ZINC001582817258 1344796530 /nfs/dbraw/zinc/79/65/30/1344796530.db2.gz BKCPZEYIAAXPEJ-HZSPNIEDSA-N -1 1 337.387 2.083 20 0 EEADMM c1cc(CNc2nc(C3CC3)nc3c2CCC3)cc(-c2nn[n-]n2)n1 ZINC001582816996 1344797034 /nfs/dbraw/zinc/79/70/34/1344797034.db2.gz ULMBZOPKHGGSKQ-UHFFFAOYSA-N -1 1 334.387 2.030 20 0 EEADMM CC(=Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588773410 1348935056 /nfs/dbraw/zinc/93/50/56/1348935056.db2.gz YXNKMGFDVZNRTB-CSKARUKUSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588773410 1348935060 /nfs/dbraw/zinc/93/50/60/1348935060.db2.gz YXNKMGFDVZNRTB-CSKARUKUSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=O)c1csc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001588922973 1348948400 /nfs/dbraw/zinc/94/84/00/1348948400.db2.gz RQVPMGYGODSSBO-UHFFFAOYSA-N -1 1 333.398 2.122 20 0 EEADMM CC(C)(C)OC1CC(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001589193507 1348968602 /nfs/dbraw/zinc/96/86/02/1348968602.db2.gz XJEHTWBSCWSUOX-UHFFFAOYSA-N -1 1 333.392 2.173 20 0 EEADMM CC(C)(C)OC1CC(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001589193507 1348968607 /nfs/dbraw/zinc/96/86/07/1348968607.db2.gz XJEHTWBSCWSUOX-UHFFFAOYSA-N -1 1 333.392 2.173 20 0 EEADMM CC(C)(C)c1csc(Cn2ccn3ncc(-c4nn[n-]n4)c23)n1 ZINC001589235335 1348973763 /nfs/dbraw/zinc/97/37/63/1348973763.db2.gz ANQKSXBDBMSRNP-UHFFFAOYSA-N -1 1 328.405 2.118 20 0 EEADMM CC(C)(C)n1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001589259119 1348975891 /nfs/dbraw/zinc/97/58/91/1348975891.db2.gz MSKJRWFBWXKQKG-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM CC(C)(C)n1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001589259119 1348975894 /nfs/dbraw/zinc/97/58/94/1348975894.db2.gz MSKJRWFBWXKQKG-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM CC(C)[C@@H](CO)[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001589460995 1348992332 /nfs/dbraw/zinc/99/23/32/1348992332.db2.gz UWGOUITULTVKHT-IUODEOHRSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@@H](CO)[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001589460995 1348992336 /nfs/dbraw/zinc/99/23/36/1348992336.db2.gz UWGOUITULTVKHT-IUODEOHRSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589507119 1348998303 /nfs/dbraw/zinc/99/83/03/1348998303.db2.gz BXLSONXLBVOUHI-MNOVXSKESA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589507119 1348998307 /nfs/dbraw/zinc/99/83/07/1348998307.db2.gz BXLSONXLBVOUHI-MNOVXSKESA-N -1 1 349.464 2.337 20 0 EEADMM C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccccn1 ZINC001589938317 1349069914 /nfs/dbraw/zinc/06/99/14/1349069914.db2.gz XRQOKOWYZXWHGJ-SNVBAGLBSA-N -1 1 333.355 2.234 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC001589948966 1349074388 /nfs/dbraw/zinc/07/43/88/1349074388.db2.gz SXLBYILVYCEHCE-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001589948966 1349074392 /nfs/dbraw/zinc/07/43/92/1349074392.db2.gz SXLBYILVYCEHCE-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1c(F)cccc1Cl ZINC001589985606 1349094115 /nfs/dbraw/zinc/09/41/15/1349094115.db2.gz NETPYQMCHWPUFV-RMLUDKJBSA-N -1 1 348.769 2.010 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1c(F)cccc1Cl ZINC001589985606 1349094121 /nfs/dbraw/zinc/09/41/21/1349094121.db2.gz NETPYQMCHWPUFV-RMLUDKJBSA-N -1 1 348.769 2.010 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590094574 1349150703 /nfs/dbraw/zinc/15/07/03/1349150703.db2.gz CHWCRUANKMYAHY-LBPRGKRZSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001590166173 1349181829 /nfs/dbraw/zinc/18/18/29/1349181829.db2.gz VUFXTIYPCUAISY-SNVBAGLBSA-N -1 1 340.412 2.271 20 0 EEADMM C[C@@H]1[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC001590166184 1349181916 /nfs/dbraw/zinc/18/19/16/1349181916.db2.gz WFFYVLOGNSIBFS-BIMULSAOSA-N -1 1 349.398 2.455 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590219622 1349206604 /nfs/dbraw/zinc/20/66/04/1349206604.db2.gz OGEWOLDZQMSMCP-PKZYVASSSA-N -1 1 332.433 2.020 20 0 EEADMM C[C@@H]1CCC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590250490 1349226474 /nfs/dbraw/zinc/22/64/74/1349226474.db2.gz ULXLDGDGGUIAFE-GMSGAONNSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H](C)C1(F)F ZINC001590298275 1349249635 /nfs/dbraw/zinc/24/96/35/1349249635.db2.gz JGGJTBIKEQIKKU-HTQZYQBOSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)C1(F)F ZINC001590298275 1349249641 /nfs/dbraw/zinc/24/96/41/1349249641.db2.gz JGGJTBIKEQIKKU-HTQZYQBOSA-N -1 1 327.360 2.292 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590431835 1349321656 /nfs/dbraw/zinc/32/16/56/1349321656.db2.gz TYIGPXRYZMFPRM-FZMZJTMJSA-N -1 1 333.392 2.173 20 0 EEADMM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590431835 1349321664 /nfs/dbraw/zinc/32/16/64/1349321664.db2.gz TYIGPXRYZMFPRM-FZMZJTMJSA-N -1 1 333.392 2.173 20 0 EEADMM CC[C@@H](CNc1nc(-c2nn[n-]n2)ccc1C)NC(=O)OC(C)(C)C ZINC001590447047 1349328623 /nfs/dbraw/zinc/32/86/23/1349328623.db2.gz XFDWPGIUDGAYGH-NSHDSACASA-N -1 1 347.423 2.285 20 0 EEADMM CC[C@@H](OCCNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001590479346 1349351174 /nfs/dbraw/zinc/35/11/74/1349351174.db2.gz VVEXZIZCBMCRJB-CQSZACIVSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@@H](OCCNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001590479346 1349351179 /nfs/dbraw/zinc/35/11/79/1349351179.db2.gz VVEXZIZCBMCRJB-CQSZACIVSA-N -1 1 341.371 2.357 20 0 EEADMM CCCn1nc(C)c(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1C ZINC001590664512 1349384879 /nfs/dbraw/zinc/38/48/79/1349384879.db2.gz UXOTZVMDGRASQL-UHFFFAOYSA-N -1 1 346.420 2.107 20 0 EEADMM CCCn1nc(C)c(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1C ZINC001590664512 1349384882 /nfs/dbraw/zinc/38/48/82/1349384882.db2.gz UXOTZVMDGRASQL-UHFFFAOYSA-N -1 1 346.420 2.107 20 0 EEADMM CCc1nc(N[C@H](C)c2cccc(OC)c2)cc(-c2nnn[n-]2)n1 ZINC001590917504 1349412250 /nfs/dbraw/zinc/41/22/50/1349412250.db2.gz YQAAGCUVUOFWGF-SNVBAGLBSA-N -1 1 325.376 2.401 20 0 EEADMM CCc1nc(N[C@H](C)c2cccc(OC)c2)cc(-c2nn[n-]n2)n1 ZINC001590917504 1349412253 /nfs/dbraw/zinc/41/22/53/1349412253.db2.gz YQAAGCUVUOFWGF-SNVBAGLBSA-N -1 1 325.376 2.401 20 0 EEADMM CN(Cc1nc(-c2cccs2)no1)c1cccc(-c2nnn[n-]2)n1 ZINC001591152023 1349440537 /nfs/dbraw/zinc/44/05/37/1349440537.db2.gz NPINTIKNRFZNMJ-UHFFFAOYSA-N -1 1 340.372 2.010 20 0 EEADMM CN(Cc1nc(-c2cccs2)no1)c1cccc(-c2nn[n-]n2)n1 ZINC001591152023 1349440542 /nfs/dbraw/zinc/44/05/42/1349440542.db2.gz NPINTIKNRFZNMJ-UHFFFAOYSA-N -1 1 340.372 2.010 20 0 EEADMM CO[C@@H](C)c1nc(CNc2cc(C)cc(-c3nnn[n-]3)n2)cs1 ZINC001591325203 1349461698 /nfs/dbraw/zinc/46/16/98/1349461698.db2.gz LYMPBZKZDZLOBJ-VIFPVBQESA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@@H](C)c1nc(CNc2cc(C)cc(-c3nn[n-]n3)n2)cs1 ZINC001591325203 1349461700 /nfs/dbraw/zinc/46/17/00/1349461700.db2.gz LYMPBZKZDZLOBJ-VIFPVBQESA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@H](C)c1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)s1 ZINC001591324812 1349462297 /nfs/dbraw/zinc/46/22/97/1349462297.db2.gz FOINLOBDRMWMRJ-MRVPVSSYSA-N -1 1 349.372 2.289 20 0 EEADMM CO[C@H](C)c1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)s1 ZINC001591324812 1349462305 /nfs/dbraw/zinc/46/23/05/1349462305.db2.gz FOINLOBDRMWMRJ-MRVPVSSYSA-N -1 1 349.372 2.289 20 0 EEADMM COCC[C@H](C)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591399213 1349481453 /nfs/dbraw/zinc/48/14/53/1349481453.db2.gz PBFLTROWEYVNIN-QMMMGPOBSA-N -1 1 330.314 2.365 20 0 EEADMM COCC[C@H](C)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591399213 1349481465 /nfs/dbraw/zinc/48/14/65/1349481465.db2.gz PBFLTROWEYVNIN-QMMMGPOBSA-N -1 1 330.314 2.365 20 0 EEADMM COc1ccc2c(c1)C1(CC1)CN(c1cc(-c3nnn[n-]3)nc(C)n1)C2 ZINC001591625608 1349518835 /nfs/dbraw/zinc/51/88/35/1349518835.db2.gz NVBUEGVTYCGHCT-UHFFFAOYSA-N -1 1 349.398 2.026 20 0 EEADMM COc1ccc2c(c1)C1(CC1)CN(c1cc(-c3nn[n-]n3)nc(C)n1)C2 ZINC001591625608 1349518842 /nfs/dbraw/zinc/51/88/42/1349518842.db2.gz NVBUEGVTYCGHCT-UHFFFAOYSA-N -1 1 349.398 2.026 20 0 EEADMM CSc1ccccc1[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591717184 1349534215 /nfs/dbraw/zinc/53/42/15/1349534215.db2.gz JVQJZZTZZLFNIY-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM CSc1ccccc1[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591717184 1349534221 /nfs/dbraw/zinc/53/42/21/1349534221.db2.gz JVQJZZTZZLFNIY-SNVBAGLBSA-N -1 1 340.412 2.475 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001591992555 1349579286 /nfs/dbraw/zinc/57/92/86/1349579286.db2.gz PHJWJYSTQKWMEM-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(F)ccc1C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001591992555 1349579289 /nfs/dbraw/zinc/57/92/89/1349579289.db2.gz PHJWJYSTQKWMEM-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cnc([C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C2CC2)s1 ZINC001592034145 1349586558 /nfs/dbraw/zinc/58/65/58/1349586558.db2.gz LPNCCBIMKYOTAM-ZDUSSCGKSA-N -1 1 327.417 2.320 20 0 EEADMM Cc1cnc([C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C2CC2)s1 ZINC001592034145 1349586563 /nfs/dbraw/zinc/58/65/63/1349586563.db2.gz LPNCCBIMKYOTAM-ZDUSSCGKSA-N -1 1 327.417 2.320 20 0 EEADMM Cc1cc2cc[nH]c2cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592071576 1349588889 /nfs/dbraw/zinc/58/88/89/1349588889.db2.gz YHMCRHFNGYMPSI-UHFFFAOYSA-N -1 1 333.355 2.233 20 0 EEADMM Cc1cc2cc[nH]c2cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592071576 1349588892 /nfs/dbraw/zinc/58/88/92/1349588892.db2.gz YHMCRHFNGYMPSI-UHFFFAOYSA-N -1 1 333.355 2.233 20 0 EEADMM Cc1ccc(F)c2oc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc21 ZINC001592173139 1349601400 /nfs/dbraw/zinc/60/14/00/1349601400.db2.gz XQFJXTRBABVCRW-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1ccc(F)c2oc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc21 ZINC001592173139 1349601404 /nfs/dbraw/zinc/60/14/04/1349601404.db2.gz XQFJXTRBABVCRW-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H]1CCC(F)(F)C1 ZINC001592202990 1349606497 /nfs/dbraw/zinc/60/64/97/1349606497.db2.gz RLZZKADGMXPAQU-SNVBAGLBSA-N -1 1 346.341 2.320 20 0 EEADMM Cc1cccc([C@H]2CCCN2Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592226995 1349612244 /nfs/dbraw/zinc/61/22/44/1349612244.db2.gz PPIJORNDHHWJBL-CYBMUJFWSA-N -1 1 327.417 2.364 20 0 EEADMM Cc1cccc([C@H]2CCCN2Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592226995 1349612248 /nfs/dbraw/zinc/61/22/48/1349612248.db2.gz PPIJORNDHHWJBL-CYBMUJFWSA-N -1 1 327.417 2.364 20 0 EEADMM Cc1cnc(Cl)cc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592295970 1349617702 /nfs/dbraw/zinc/61/77/02/1349617702.db2.gz SFCJPBKWXWHCKS-UHFFFAOYSA-N -1 1 344.766 2.076 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C)c3cccnc23)c1-c1nn[n-]n1 ZINC001592332566 1349622004 /nfs/dbraw/zinc/62/20/04/1349622004.db2.gz JURZPUNRRHRPPY-UHFFFAOYSA-N -1 1 334.343 2.007 20 0 EEADMM Cc1nc(NCCc2nc3ccccc3s2)cc(-c2nnn[n-]2)n1 ZINC001592393444 1349627353 /nfs/dbraw/zinc/62/73/53/1349627353.db2.gz PNPCXTOFHZYSAI-UHFFFAOYSA-N -1 1 338.400 2.229 20 0 EEADMM Cc1nc(NCCc2nc3ccccc3s2)cc(-c2nn[n-]n2)n1 ZINC001592393444 1349627358 /nfs/dbraw/zinc/62/73/58/1349627358.db2.gz PNPCXTOFHZYSAI-UHFFFAOYSA-N -1 1 338.400 2.229 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2CCC2)c1-c1nn[n-]n1 ZINC001592425280 1349629385 /nfs/dbraw/zinc/62/93/85/1349629385.db2.gz AAGHGIYNTOOEFY-UHFFFAOYSA-N -1 1 338.371 2.204 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592468149 1349634548 /nfs/dbraw/zinc/63/45/48/1349634548.db2.gz DFXHEHKSZSTCKU-UHFFFAOYSA-N -1 1 334.327 2.327 20 0 EEADMM Cc1nsc(N(C)C(=O)CCCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592468149 1349634551 /nfs/dbraw/zinc/63/45/51/1349634551.db2.gz DFXHEHKSZSTCKU-UHFFFAOYSA-N -1 1 334.327 2.327 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC001592498600 1349637069 /nfs/dbraw/zinc/63/70/69/1349637069.db2.gz ACOOGDAPAORTEW-HNNXBMFYSA-N -1 1 338.371 2.434 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC001592498600 1349637070 /nfs/dbraw/zinc/63/70/70/1349637070.db2.gz ACOOGDAPAORTEW-HNNXBMFYSA-N -1 1 338.371 2.434 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001592496403 1349637196 /nfs/dbraw/zinc/63/71/96/1349637196.db2.gz DSVOVGWWRBBGLG-ZDUSSCGKSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](C2CCOCC2)C1 ZINC001592496403 1349637197 /nfs/dbraw/zinc/63/71/97/1349637197.db2.gz DSVOVGWWRBBGLG-ZDUSSCGKSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001592501161 1349638105 /nfs/dbraw/zinc/63/81/05/1349638105.db2.gz DIMGEEXVXZMEJG-NSHDSACASA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001592501161 1349638106 /nfs/dbraw/zinc/63/81/06/1349638106.db2.gz DIMGEEXVXZMEJG-NSHDSACASA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1n[nH]c2cc(F)ccc12 ZINC001592501253 1349638212 /nfs/dbraw/zinc/63/82/12/1349638212.db2.gz IDDNLVVFHMBQAS-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1n[nH]c2cc(F)ccc12 ZINC001592501253 1349638214 /nfs/dbraw/zinc/63/82/14/1349638214.db2.gz IDDNLVVFHMBQAS-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3cc(-c4nnn[n-]4)oc3C)ccc12 ZINC001592503299 1349640130 /nfs/dbraw/zinc/64/01/30/1349640130.db2.gz ORRMWGISTFOQGU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)ccc12 ZINC001592503299 1349640132 /nfs/dbraw/zinc/64/01/32/1349640132.db2.gz ORRMWGISTFOQGU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1-n1cccn1 ZINC001592503942 1349640142 /nfs/dbraw/zinc/64/01/42/1349640142.db2.gz YZGDGQCFAWKKKT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1-n1cccn1 ZINC001592503942 1349640144 /nfs/dbraw/zinc/64/01/44/1349640144.db2.gz YZGDGQCFAWKKKT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Clc1sc(NCCOC2CCSCC2)nc1-c1nn[n-]n1 ZINC001592543446 1349655071 /nfs/dbraw/zinc/65/50/71/1349655071.db2.gz OLZQFEMULNBGHC-UHFFFAOYSA-N -1 1 346.869 2.301 20 0 EEADMM Cn1cncc1CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592590265 1349663480 /nfs/dbraw/zinc/66/34/80/1349663480.db2.gz SLLMDVQBFIQCIW-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1ncncc1-c1nn[n-]n1 ZINC001592622162 1349676186 /nfs/dbraw/zinc/67/61/86/1349676186.db2.gz SHRPQIUTXWEGLP-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM Fc1cc(Nc2ncncc2-c2nn[n-]n2)cc(F)c1N1CCCC1 ZINC001592643565 1349689795 /nfs/dbraw/zinc/68/97/95/1349689795.db2.gz SKBWBIALVAESCA-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Fc1ccc(OC2CCN(c3cccnc3-c3nnn[n-]3)CC2)cc1 ZINC001592651890 1349696804 /nfs/dbraw/zinc/69/68/04/1349696804.db2.gz DMLBTVONEJXENQ-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1ccc(OC2CCN(c3cccnc3-c3nn[n-]n3)CC2)cc1 ZINC001592651890 1349696807 /nfs/dbraw/zinc/69/68/07/1349696807.db2.gz DMLBTVONEJXENQ-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592658198 1349702472 /nfs/dbraw/zinc/70/24/72/1349702472.db2.gz MHCZSZOVAZNJEC-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592658198 1349702478 /nfs/dbraw/zinc/70/24/78/1349702478.db2.gz MHCZSZOVAZNJEC-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccsc1-c1nnn[n-]1 ZINC001592950322 1349729509 /nfs/dbraw/zinc/72/95/09/1349729509.db2.gz WGWNMFXPDZJMGE-VXGBXAGGSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001592950322 1349729510 /nfs/dbraw/zinc/72/95/10/1349729510.db2.gz WGWNMFXPDZJMGE-VXGBXAGGSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593147248 1349742646 /nfs/dbraw/zinc/74/26/46/1349742646.db2.gz HMANHHCKYVDKAH-RRFJBIMHSA-N -1 1 340.431 2.484 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001593147248 1349742648 /nfs/dbraw/zinc/74/26/48/1349742648.db2.gz HMANHHCKYVDKAH-RRFJBIMHSA-N -1 1 340.431 2.484 20 0 EEADMM O=C(O[C@H](c1ncccn1)C1CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593281545 1349760744 /nfs/dbraw/zinc/76/07/44/1349760744.db2.gz JKFFTNPDNKNRNJ-ZDUSSCGKSA-N -1 1 340.343 2.338 20 0 EEADMM O=C(O[C@H](c1ncccn1)C1CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593281545 1349760746 /nfs/dbraw/zinc/76/07/46/1349760746.db2.gz JKFFTNPDNKNRNJ-ZDUSSCGKSA-N -1 1 340.343 2.338 20 0 EEADMM O=C(OC[C@]12CCC[C@H]1OCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283934 1349762265 /nfs/dbraw/zinc/76/22/65/1349762265.db2.gz FQVGVXXKJNHQCV-MLGOLLRUSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@]12CCC[C@H]1OCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283934 1349762266 /nfs/dbraw/zinc/76/22/66/1349762266.db2.gz FQVGVXXKJNHQCV-MLGOLLRUSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1([C@@H]2CCCCO2)CCC1 ZINC001593308071 1349776794 /nfs/dbraw/zinc/77/67/94/1349776794.db2.gz ZNBGVVUZZCXQJX-NSHDSACASA-N -1 1 349.416 2.106 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1([C@@H]2CCCCO2)CCC1 ZINC001593308071 1349776802 /nfs/dbraw/zinc/77/68/02/1349776802.db2.gz ZNBGVVUZZCXQJX-NSHDSACASA-N -1 1 349.416 2.106 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(CCC(O)CC2)CC1 ZINC001593338041 1349783328 /nfs/dbraw/zinc/78/33/28/1349783328.db2.gz HGKCHXRLFCPZKC-UHFFFAOYSA-N -1 1 347.444 2.086 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(CCC(O)CC2)CC1 ZINC001593338041 1349783330 /nfs/dbraw/zinc/78/33/30/1349783330.db2.gz HGKCHXRLFCPZKC-UHFFFAOYSA-N -1 1 347.444 2.086 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOCc2ccccc21 ZINC001593338001 1349783614 /nfs/dbraw/zinc/78/36/14/1349783614.db2.gz DUVRXRYPPITSJO-UHFFFAOYSA-N -1 1 327.369 2.105 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOCc2ccccc21 ZINC001593338001 1349783622 /nfs/dbraw/zinc/78/36/22/1349783622.db2.gz DUVRXRYPPITSJO-UHFFFAOYSA-N -1 1 327.369 2.105 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593336814 1349783903 /nfs/dbraw/zinc/78/39/03/1349783903.db2.gz DIIPVQJVEYBPHN-HNNXBMFYSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593336814 1349783905 /nfs/dbraw/zinc/78/39/05/1349783905.db2.gz DIIPVQJVEYBPHN-HNNXBMFYSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC(Nc2ccccc2)CC1 ZINC001593340235 1349785302 /nfs/dbraw/zinc/78/53/02/1349785302.db2.gz HHNWAHCVHCLNCI-UHFFFAOYSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC(Nc2ccccc2)CC1 ZINC001593340235 1349785304 /nfs/dbraw/zinc/78/53/04/1349785304.db2.gz HHNWAHCVHCLNCI-UHFFFAOYSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(Cc1ccccc1)CC(F)F ZINC001593348374 1349787324 /nfs/dbraw/zinc/78/73/24/1349787324.db2.gz VHUIYZKJRWHXBF-UHFFFAOYSA-N -1 1 344.325 2.169 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(Cc1ccccc1)CC(F)F ZINC001593348374 1349787325 /nfs/dbraw/zinc/78/73/25/1349787325.db2.gz VHUIYZKJRWHXBF-UHFFFAOYSA-N -1 1 344.325 2.169 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCSc1ccc(Cl)cc1 ZINC001593493297 1349818879 /nfs/dbraw/zinc/81/88/79/1349818879.db2.gz DALKLVLPHDBNRO-UHFFFAOYSA-N -1 1 333.804 2.474 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2ncncc2-c2nn[n-]n2)n1 ZINC001593572304 1349857214 /nfs/dbraw/zinc/85/72/14/1349857214.db2.gz XVSPRBDWOJLGHR-ZDUSSCGKSA-N -1 1 334.343 2.041 20 0 EEADMM C[C@@H](Cc1cnn(C)c1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001595436445 1349886194 /nfs/dbraw/zinc/88/61/94/1349886194.db2.gz XIUFIRGQZVALSY-NSHDSACASA-N -1 1 325.372 2.333 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(C)c(Cl)c3F)nc2n1 ZINC001596080130 1349901684 /nfs/dbraw/zinc/90/16/84/1349901684.db2.gz ANVSLJMNTQWRFY-UHFFFAOYSA-N -1 1 335.726 2.079 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2CCCC[C@H]2COC(=O)NC2CC2)n1C ZINC001599986034 1349949526 /nfs/dbraw/zinc/94/95/26/1349949526.db2.gz VKTIXXDNCGPVGW-AWEZNQCLSA-N -1 1 349.431 2.275 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1CC1CC1 ZINC001600084498 1349968100 /nfs/dbraw/zinc/96/81/00/1349968100.db2.gz NQEQRUDHZQIWGK-CQSZACIVSA-N -1 1 347.459 2.136 20 0 EEADMM Cc1cc(C)c(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1O ZINC001600163515 1349983384 /nfs/dbraw/zinc/98/33/84/1349983384.db2.gz MXIMMNHDINYESR-UHFFFAOYSA-N -1 1 336.369 2.211 20 0 EEADMM Cc1cc(C)c2cc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])sc2n1 ZINC001600166218 1349984225 /nfs/dbraw/zinc/98/42/25/1349984225.db2.gz QJJNPRLKWVBNFJ-LBPRGKRZSA-N -1 1 344.396 2.062 20 0 EEADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)nc(N2CCCC2)n1 ZINC001600204539 1349992341 /nfs/dbraw/zinc/99/23/41/1349992341.db2.gz HVMMXBURRWFTFW-MRXNPFEDSA-N -1 1 344.390 2.440 20 0 EEADMM Cc1cc(NC(=O)CCN2CCc3c(F)ccc(C(=O)[O-])c3C2)no1 ZINC001600254850 1350003169 /nfs/dbraw/zinc/00/31/69/1350003169.db2.gz WIJXFAYJCHNYAD-UHFFFAOYSA-N -1 1 347.346 2.207 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 ZINC001600372624 1350032923 /nfs/dbraw/zinc/03/29/23/1350032923.db2.gz HVVSOEAWPZSZDH-ZFWWWQNUSA-N -1 1 327.384 2.155 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC001600376119 1350033991 /nfs/dbraw/zinc/03/39/91/1350033991.db2.gz LDXROHBQLPPHCT-QLFBSQMISA-N -1 1 349.431 2.230 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001600380095 1350035207 /nfs/dbraw/zinc/03/52/07/1350035207.db2.gz CRFNGJMJXWDLIU-MRXNPFEDSA-N -1 1 339.395 2.282 20 0 EEADMM Cc1ccc(NC(=O)CN[C@H](C[C@@H]2CCCO2)C(=O)[O-])c(Cl)c1 ZINC001600448737 1350054238 /nfs/dbraw/zinc/05/42/38/1350054238.db2.gz OMJDHMWCFZPNAU-SMDDNHRTSA-N -1 1 340.807 2.199 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)CO2 ZINC001600493648 1350065112 /nfs/dbraw/zinc/06/51/12/1350065112.db2.gz QNFFEAIQKOYRRO-RHSMWYFYSA-N -1 1 343.379 2.156 20 0 EEADMM Cc1cccc(OCCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1C ZINC001600543865 1350078573 /nfs/dbraw/zinc/07/85/73/1350078573.db2.gz IRTDLKXFXMLLAB-HNNXBMFYSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1ccnc(OC2CCN(Cc3ccc(C(=O)[O-])n3C)CC2)c1 ZINC001600603007 1350095317 /nfs/dbraw/zinc/09/53/17/1350095317.db2.gz QSSUJZFCWJUGEG-UHFFFAOYSA-N -1 1 329.400 2.470 20 0 EEADMM Cc1cn2c(nc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)cc2=O)s1 ZINC001600614233 1350098231 /nfs/dbraw/zinc/09/82/31/1350098231.db2.gz VIRFUTKYGDKCKP-OAHLLOKOSA-N -1 1 343.408 2.322 20 0 EEADMM Cc1nc([C@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n[nH]1 ZINC001600792417 1350138433 /nfs/dbraw/zinc/13/84/33/1350138433.db2.gz OFKJRPWHIFRIOD-DTWKUNHWSA-N -1 1 334.401 2.169 20 0 EEADMM Cc1oc(CN2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001600845480 1350150251 /nfs/dbraw/zinc/15/02/51/1350150251.db2.gz CGPJKRSKYPSHPM-PELKAZGASA-N -1 1 348.321 2.175 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@H]2COC(C)(C)O2)nc1C(=O)[O-] ZINC001600885187 1350160379 /nfs/dbraw/zinc/16/03/79/1350160379.db2.gz XOYQXEFFSUWUPT-WDEREUQCSA-N -1 1 326.418 2.438 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC001600903088 1350163819 /nfs/dbraw/zinc/16/38/19/1350163819.db2.gz FKXLKXHOTNHPQR-OAHLLOKOSA-N -1 1 345.399 2.273 20 0 EEADMM C[C@H]1CC[C@@](NCc2nn(C)cc2Br)(C(=O)[O-])CC1 ZINC001600927246 1350171057 /nfs/dbraw/zinc/17/10/57/1350171057.db2.gz XEYYSGIEXSWQKN-GMZHKTEUSA-N -1 1 330.226 2.306 20 0 EEADMM Cn1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c(C2CCCCC2)n1 ZINC001600952828 1350175431 /nfs/dbraw/zinc/17/54/31/1350175431.db2.gz ZZPRTJXSLRRKBY-QGZVFWFLSA-N -1 1 335.448 2.125 20 0 EEADMM O=C(CCCOC1CCOCC1)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001601269463 1350245511 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/nfs/dbraw/zinc/01/80/73/1351018073.db2.gz AUGWEEOSTJFGQW-WEVVVXLNSA-N -1 1 344.787 2.494 20 0 EEADMM COC(=O)c1ccc([C@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)o1 ZINC001604969749 1351041555 /nfs/dbraw/zinc/04/15/55/1351041555.db2.gz KEZVWAYAVGDZBF-QMMMGPOBSA-N -1 1 346.299 2.066 20 0 EEADMM COC(=O)c1ccc([C@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)o1 ZINC001604969749 1351041558 /nfs/dbraw/zinc/04/15/58/1351041558.db2.gz KEZVWAYAVGDZBF-QMMMGPOBSA-N -1 1 346.299 2.066 20 0 EEADMM CC[C@@]1(O)CCN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001605150142 1351088939 /nfs/dbraw/zinc/08/89/39/1351088939.db2.gz WVYAJUOBINERSI-CQSZACIVSA-N -1 1 328.206 2.494 20 0 EEADMM CC[C@](COC)(NCc1c(Cl)n(C)nc1C(F)(F)F)C(=O)[O-] ZINC001605056092 1351068637 /nfs/dbraw/zinc/06/86/37/1351068637.db2.gz HYIAESYGTOLWOO-LLVKDONJSA-N -1 1 343.733 2.062 20 0 EEADMM COc1ccc(C2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)nc1 ZINC001605268143 1351120492 /nfs/dbraw/zinc/12/04/92/1351120492.db2.gz LAHNBYSVQUUABD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(C2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)nc1 ZINC001605268143 1351120498 /nfs/dbraw/zinc/12/04/98/1351120498.db2.gz LAHNBYSVQUUABD-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(CC[C@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001605271965 1351121639 /nfs/dbraw/zinc/12/16/39/1351121639.db2.gz UYGTVGQWCRHYJI-NSHDSACASA-N -1 1 341.371 2.219 20 0 EEADMM COc1ccc(CC[C@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001605271965 1351121641 /nfs/dbraw/zinc/12/16/41/1351121641.db2.gz UYGTVGQWCRHYJI-NSHDSACASA-N -1 1 341.371 2.219 20 0 EEADMM COc1cccc([C@H](CNc2snc(C)c2-c2nn[n-]n2)OC)c1 ZINC001605315256 1351133936 /nfs/dbraw/zinc/13/39/36/1351133936.db2.gz PEDMHMYRXYFMKV-LBPRGKRZSA-N -1 1 346.416 2.440 20 0 EEADMM COc1cccc2c1[C@@H](C(=O)Nc1ncc(-c3nnn[n-]3)s1)CC2 ZINC001605324581 1351136865 /nfs/dbraw/zinc/13/68/65/1351136865.db2.gz GKDDYPSIXJMGMX-VIFPVBQESA-N -1 1 342.384 2.000 20 0 EEADMM COc1cccc2c1[C@@H](C(=O)Nc1ncc(-c3nn[n-]n3)s1)CC2 ZINC001605324581 1351136867 /nfs/dbraw/zinc/13/68/67/1351136867.db2.gz GKDDYPSIXJMGMX-VIFPVBQESA-N -1 1 342.384 2.000 20 0 EEADMM CCCc1ccccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001605378024 1351148741 /nfs/dbraw/zinc/14/87/41/1351148741.db2.gz HYORUAOZWAXPMC-UHFFFAOYSA-N -1 1 334.397 2.462 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N(C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001605381461 1351149483 /nfs/dbraw/zinc/14/94/83/1351149483.db2.gz VJRXVWKRGCDPHU-UHFFFAOYSA-N -1 1 348.432 2.094 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCCCCC1 ZINC001605403517 1351154422 /nfs/dbraw/zinc/15/44/22/1351154422.db2.gz KJLXXTIJHWHRKX-GFCCVEGCSA-N -1 1 328.420 2.279 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCCCCC1 ZINC001605403517 1351154425 /nfs/dbraw/zinc/15/44/25/1351154425.db2.gz KJLXXTIJHWHRKX-GFCCVEGCSA-N -1 1 328.420 2.279 20 0 EEADMM C[C@H]1CC[C@@](C)(CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC001605444124 1351159614 /nfs/dbraw/zinc/15/96/14/1351159614.db2.gz UHPSEWVDUYNKQO-GTNSWQLSSA-N -1 1 328.420 2.454 20 0 EEADMM C[C@H]1CC[C@@](C)(CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC001605444124 1351159620 /nfs/dbraw/zinc/15/96/20/1351159620.db2.gz UHPSEWVDUYNKQO-GTNSWQLSSA-N -1 1 328.420 2.454 20 0 EEADMM CCc1[nH]c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1C(=O)[O-] ZINC001605773617 1351222303 /nfs/dbraw/zinc/22/23/03/1351222303.db2.gz HMEJLQLSSMGQGT-QGZVFWFLSA-N -1 1 341.411 2.166 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605878545 1351244794 /nfs/dbraw/zinc/24/47/94/1351244794.db2.gz LBWKDRHQIZFCPD-NSHDSACASA-N -1 1 328.328 2.279 20 0 EEADMM Cc1ccc(O[C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605878545 1351244796 /nfs/dbraw/zinc/24/47/96/1351244796.db2.gz LBWKDRHQIZFCPD-NSHDSACASA-N -1 1 328.328 2.279 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC001605887335 1351246557 /nfs/dbraw/zinc/24/65/57/1351246557.db2.gz HAFJJQVWASLXSG-CYBMUJFWSA-N -1 1 339.330 2.178 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)CO2 ZINC001605887335 1351246559 /nfs/dbraw/zinc/24/65/59/1351246559.db2.gz HAFJJQVWASLXSG-CYBMUJFWSA-N -1 1 339.330 2.178 20 0 EEADMM Cc1[nH]nc(NC(=O)COc2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC001606013857 1351263724 /nfs/dbraw/zinc/26/37/24/1351263724.db2.gz YIPGJJQJFNFMEC-UHFFFAOYSA-N -1 1 349.354 2.069 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1-n1ccnc1 ZINC001606169408 1351280990 /nfs/dbraw/zinc/28/09/90/1351280990.db2.gz KCNBNNZVMCYBKT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1-n1ccnc1 ZINC001606169408 1351280993 /nfs/dbraw/zinc/28/09/93/1351280993.db2.gz KCNBNNZVMCYBKT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cccc(C3CCCC3)c2)C[C@H](C(=O)[O-])C1 ZINC001606236204 1351286610 /nfs/dbraw/zinc/28/66/10/1351286610.db2.gz TXXDAFYSRDSINW-QGZVFWFLSA-N -1 1 330.428 2.433 20 0 EEADMM O=C(C[C@@H]1CCC(F)(F)C1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606497201 1351312339 /nfs/dbraw/zinc/31/23/39/1351312339.db2.gz VPBKOMOIKXFSLV-QMMMGPOBSA-N -1 1 327.360 2.370 20 0 EEADMM O=C(Cc1coc2cc3c(cc12)CCC3)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606611903 1351331667 /nfs/dbraw/zinc/33/16/67/1351331667.db2.gz ROENJNKTPGZFLT-UHFFFAOYSA-N -1 1 349.354 2.006 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(C2CC2)s1 ZINC001606897352 1351371701 /nfs/dbraw/zinc/37/17/01/1351371701.db2.gz IWLSXRFNUSUUJY-UHFFFAOYSA-N -1 1 328.357 2.159 20 0 EEADMM O=C(Nc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC001606938359 1351380673 /nfs/dbraw/zinc/38/06/73/1351380673.db2.gz QGBPYWKOQYWCDH-UHFFFAOYSA-N -1 1 343.368 2.342 20 0 EEADMM O=C(Nc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC001606938359 1351380677 /nfs/dbraw/zinc/38/06/77/1351380677.db2.gz QGBPYWKOQYWCDH-UHFFFAOYSA-N -1 1 343.368 2.342 20 0 EEADMM O=C(Nc1nc(-c2ccccn2)cs1)c1coc(-c2nnn[n-]2)c1 ZINC001606950825 1351382795 /nfs/dbraw/zinc/38/27/95/1351382795.db2.gz SGZKZQOBORETDP-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(-c2ccccn2)cs1)c1coc(-c2nn[n-]n2)c1 ZINC001606950825 1351382797 /nfs/dbraw/zinc/38/27/97/1351382797.db2.gz SGZKZQOBORETDP-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(CCc1ccc(F)cc1)C1CC1 ZINC001607017301 1351397993 /nfs/dbraw/zinc/39/79/93/1351397993.db2.gz OKEVHUIBGNYTHR-UHFFFAOYSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(CCc1ccc(F)cc1)C1CC1 ZINC001607017301 1351397997 /nfs/dbraw/zinc/39/79/97/1351397997.db2.gz OKEVHUIBGNYTHR-UHFFFAOYSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(F)(C2CC2)CC1 ZINC001607022685 1351399824 /nfs/dbraw/zinc/39/98/24/1351399824.db2.gz YEFJSNDJCKHBER-UHFFFAOYSA-N -1 1 333.342 2.360 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC(F)(C2CC2)CC1 ZINC001607022685 1351399826 /nfs/dbraw/zinc/39/98/26/1351399826.db2.gz YEFJSNDJCKHBER-UHFFFAOYSA-N -1 1 333.342 2.360 20 0 EEADMM COc1c(NC[C@H](C)N2CCc3ccccc3C2)ncnc1C(=O)[O-] ZINC001607034920 1351402274 /nfs/dbraw/zinc/40/22/74/1351402274.db2.gz BXMHZAFTQCDHPX-LBPRGKRZSA-N -1 1 342.399 2.042 20 0 EEADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2nn[nH]n2)o1 ZINC001607068888 1351406597 /nfs/dbraw/zinc/40/65/97/1351406597.db2.gz GJVYRYMUKVUMHL-UHFFFAOYSA-N -1 1 343.727 2.053 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@@H]1CCC2(CCC2)O1 ZINC001607090690 1351414383 /nfs/dbraw/zinc/41/43/83/1351414383.db2.gz VIBGGLQKPANFKA-LBPRGKRZSA-N -1 1 337.383 2.283 20 0 EEADMM O[C@@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001607102421 1351418759 /nfs/dbraw/zinc/41/87/59/1351418759.db2.gz XDPFBPDVMVFRMG-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@@H]1CCC[C@@H](CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001607102421 1351418760 /nfs/dbraw/zinc/41/87/60/1351418760.db2.gz XDPFBPDVMVFRMG-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM c1csc(C[C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC001607119659 1351426904 /nfs/dbraw/zinc/42/69/04/1351426904.db2.gz GEMCJRQDALMNDA-NSHDSACASA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(C[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC001607119659 1351426906 /nfs/dbraw/zinc/42/69/06/1351426906.db2.gz GEMCJRQDALMNDA-NSHDSACASA-N -1 1 327.417 2.177 20 0 EEADMM c1ccc(Oc2cc(CNc3cncc(-c4nnn[n-]4)n3)ccn2)cc1 ZINC001607130804 1351432413 /nfs/dbraw/zinc/43/24/13/1351432413.db2.gz LDDFVDKVCIBMED-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2cc(CNc3cncc(-c4nn[n-]n4)n3)ccn2)cc1 ZINC001607130804 1351432415 /nfs/dbraw/zinc/43/24/15/1351432415.db2.gz LDDFVDKVCIBMED-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@H]1CCSC1 ZINC001607131581 1351432902 /nfs/dbraw/zinc/43/29/02/1351432902.db2.gz JEMBBXBKVUVXOV-JTQLQIEISA-N -1 1 327.417 2.365 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@H]1CCSC1 ZINC001607131581 1351432905 /nfs/dbraw/zinc/43/29/05/1351432905.db2.gz JEMBBXBKVUVXOV-JTQLQIEISA-N -1 1 327.417 2.365 20 0 EEADMM COc1ccc(Cl)cc1CN(CCC(=O)[O-])CC(OC)OC ZINC001607265769 1351461759 /nfs/dbraw/zinc/46/17/59/1351461759.db2.gz DVDNGWAAOVJNGV-UHFFFAOYSA-N -1 1 331.796 2.244 20 0 EEADMM CSc1nc(=O)n(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[nH]1 ZINC001607415615 1351490734 /nfs/dbraw/zinc/49/07/34/1351490734.db2.gz SEWAMUGHBIZMEW-UHFFFAOYSA-N -1 1 348.409 2.163 20 0 EEADMM C[C@@H](O)[C@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC001607425477 1351492806 /nfs/dbraw/zinc/49/28/06/1351492806.db2.gz MDHAQXIWHYSJAM-PELKAZGASA-N -1 1 326.805 2.387 20 0 EEADMM C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001607482739 1351501342 /nfs/dbraw/zinc/50/13/42/1351501342.db2.gz SMSRQDLITGZTGH-AAEUAGOBSA-N -1 1 337.420 2.211 20 0 EEADMM Cc1c(NC(=O)Nc2cc(C(=O)[O-])nn2C)[nH]nc1-c1ccccc1 ZINC001607502263 1351506601 /nfs/dbraw/zinc/50/66/01/1351506601.db2.gz ODJCQOKLJOPHSI-UHFFFAOYSA-N -1 1 340.343 2.461 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cc3c([nH]c2=O)CCCC3)n1C ZINC001607517031 1351509294 /nfs/dbraw/zinc/50/92/94/1351509294.db2.gz NFRVGYYLIIPHDS-UHFFFAOYSA-N -1 1 329.400 2.301 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC001607604017 1351523460 /nfs/dbraw/zinc/52/34/60/1351523460.db2.gz NEOUBUZCDNHZKN-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cc1ccsc1CNC(=O)CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001607900081 1351581970 /nfs/dbraw/zinc/58/19/70/1351581970.db2.gz ZRUNPAQSMCCGGD-KRWDZBQOSA-N -1 1 347.440 2.047 20 0 EEADMM Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])cc2)cs1 ZINC001607940517 1351589865 /nfs/dbraw/zinc/58/98/65/1351589865.db2.gz DBMCKVWQBPXVIC-MNOVXSKESA-N -1 1 347.440 2.358 20 0 EEADMM Cc1oc(CNC[C@@H](O)COc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC001608050761 1351614842 /nfs/dbraw/zinc/61/48/42/1351614842.db2.gz KJHLTEVXXIPPCC-GFCCVEGCSA-N -1 1 344.367 2.297 20 0 EEADMM Cc1sc(NC(=O)CN(C)[C@H]2CC[C@H](O)CC2)c(C(=O)[O-])c1C ZINC001608070939 1351618206 /nfs/dbraw/zinc/61/82/06/1351618206.db2.gz DGXKNJBRAHERDR-HAQNSBGRSA-N -1 1 340.445 2.237 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)c1cccnc1 ZINC001608387911 1351683893 /nfs/dbraw/zinc/68/38/93/1351683893.db2.gz NRNITAGRAAKNJV-NSHDSACASA-N -1 1 340.257 2.362 20 0 EEADMM CCC(CC)(NC(=O)Cc1c[nH]c2cc(F)ccc12)c1nn[n-]n1 ZINC001623441012 1352396986 /nfs/dbraw/zinc/39/69/86/1352396986.db2.gz JINBGLDTYDBYKL-UHFFFAOYSA-N -1 1 330.367 2.194 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc2O1 ZINC000038110318 1352415947 /nfs/dbraw/zinc/41/59/47/1352415947.db2.gz MUUVSIONHXDCGG-SNVBAGLBSA-N -1 1 344.845 2.387 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cnn2ncccc12 ZINC001637140995 1352673650 /nfs/dbraw/zinc/67/36/50/1352673650.db2.gz YWFUIHFCMZDYQU-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001646690849 1352925577 /nfs/dbraw/zinc/92/55/77/1352925577.db2.gz URSIVFDVKKLFCF-ZDUSSCGKSA-N -1 1 340.431 2.482 20 0 EEADMM O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001646983683 1353089695 /nfs/dbraw/zinc/08/96/95/1353089695.db2.gz ITCDBHFTYSHOTK-LURJTMIESA-N -1 1 347.247 2.126 20 0 EEADMM CCCN1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC001647145324 1353162482 /nfs/dbraw/zinc/16/24/82/1353162482.db2.gz IXNOYSYZKPRQOK-MRXNPFEDSA-N -1 1 338.473 2.318 20 0 EEADMM Cc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)nn1C ZINC001647410652 1353267673 /nfs/dbraw/zinc/26/76/73/1353267673.db2.gz TUDKNHIMDZPQDV-CABCVRRESA-N -1 1 335.354 2.307 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1CCC1CCCC1 ZINC001650298972 1353832287 /nfs/dbraw/zinc/83/22/87/1353832287.db2.gz VVWQJFJBLJADGD-CQSZACIVSA-N -1 1 344.467 2.341 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1CCC1CCCC1 ZINC001650298972 1353832289 /nfs/dbraw/zinc/83/22/89/1353832289.db2.gz VVWQJFJBLJADGD-CQSZACIVSA-N -1 1 344.467 2.341 20 0 EEADMM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1ccc([O-])cc1F)C2 ZINC001650608102 1354019929 /nfs/dbraw/zinc/01/99/29/1354019929.db2.gz PPXSMVVNCAIEGG-UHFFFAOYSA-N -1 1 336.363 2.224 20 0 EEADMM CCOc1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C)CC2)cn1 ZINC000068428984 1354124438 /nfs/dbraw/zinc/12/44/38/1354124438.db2.gz JOKIKTZDQYDDQC-UHFFFAOYSA-N -1 1 347.444 2.291 20 0 EEADMM Cc1nc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)ccc2o1 ZINC000074838140 1354368922 /nfs/dbraw/zinc/36/89/22/1354368922.db2.gz ZLPRDVWJOQITCP-UHFFFAOYSA-N -1 1 345.336 2.372 20 0 EEADMM C[C@](O)(CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccco1 ZINC001672125707 1356466088 /nfs/dbraw/zinc/46/60/88/1356466088.db2.gz FAEPXFXMYXCJCY-KRWDZBQOSA-N -1 1 342.355 2.200 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(C)(C)C(F)F ZINC001388576291 1387564727 /nfs/dbraw/zinc/56/47/27/1387564727.db2.gz LSAHTXYRMQUXDY-UHFFFAOYSA-N -1 1 343.374 2.047 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000836719494 1367726662 /nfs/dbraw/zinc/72/66/62/1367726662.db2.gz GRKFVJGXWSAZPV-GFCCVEGCSA-N -1 1 328.372 2.189 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001389023490 1387896444 /nfs/dbraw/zinc/89/64/44/1387896444.db2.gz DZHKPFDAKVSWJK-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM COc1nc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)ccc1F ZINC001190063361 1368390670 /nfs/dbraw/zinc/39/06/70/1368390670.db2.gz LEKXQHURAWMIHQ-UHFFFAOYSA-N -1 1 335.719 2.218 20 0 EEADMM COc1c(F)cccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730238 1368641456 /nfs/dbraw/zinc/64/14/56/1368641456.db2.gz JAVFRMCFAVCOKI-UHFFFAOYSA-N -1 1 325.317 2.333 20 0 EEADMM O=c1cnc2cc([N-]S(=O)(=O)c3ccc4occc4c3)ccc2[nH]1 ZINC001198870269 1368653791 /nfs/dbraw/zinc/65/37/91/1368653791.db2.gz LLPBAOPVYTZBLW-UHFFFAOYSA-N -1 1 341.348 2.470 20 0 EEADMM O=S(=O)([N-]Cc1nnc(C2CC2)s1)c1ccc(Cl)nc1F ZINC000867409156 1368854183 /nfs/dbraw/zinc/85/41/83/1368854183.db2.gz PKORKARFHPQNCZ-UHFFFAOYSA-N -1 1 348.812 2.082 20 0 EEADMM C[C@@H](CNC(=O)CC1(C)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001389328257 1388048838 /nfs/dbraw/zinc/04/88/38/1388048838.db2.gz OWRUXNVBIRLFMS-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccco1 ZINC000780479146 1371162306 /nfs/dbraw/zinc/16/23/06/1371162306.db2.gz GXHFKWBNIXQRBL-ZIAGYGMSSA-N -1 1 337.420 2.311 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccco1 ZINC000780479245 1371162316 /nfs/dbraw/zinc/16/23/16/1371162316.db2.gz IFIWJVYNMDEOBT-QWRGUYRKSA-N -1 1 347.362 2.070 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(Cc2ncccc2[O-])C[C@H](F)C1 ZINC001138391010 1372390307 /nfs/dbraw/zinc/39/03/07/1372390307.db2.gz MQEPHLXARMGKGW-LBPRGKRZSA-N -1 1 325.384 2.178 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(Cc2ccc([O-])c(F)c2F)CC1=O ZINC001140893344 1372705437 /nfs/dbraw/zinc/70/54/37/1372705437.db2.gz OEUCJZYVUBMGLM-UHFFFAOYSA-N -1 1 342.342 2.250 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccc([O-])c(F)c1 ZINC000848335239 1373133670 /nfs/dbraw/zinc/13/36/70/1373133670.db2.gz ZXUJPLPVYHAMDW-SECBINFHSA-N -1 1 348.296 2.062 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000848340813 1373136543 /nfs/dbraw/zinc/13/65/43/1373136543.db2.gz GBCNHHYMFTXUNH-IRCOFANPSA-N -1 1 348.365 2.050 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1COc2ccc(F)cc2C1 ZINC001361496034 1373302881 /nfs/dbraw/zinc/30/28/81/1373302881.db2.gz LDVLIGWPMWDLJU-NSHDSACASA-N -1 1 343.358 2.390 20 0 EEADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC001362058175 1373363549 /nfs/dbraw/zinc/36/35/49/1373363549.db2.gz QYVYZIBSASVVPC-LBPRGKRZSA-N -1 1 335.306 2.185 20 0 EEADMM COc1c(F)cc(F)cc1NC(=O)c1cnc(SC)[n-]c1=O ZINC001362219429 1373378794 /nfs/dbraw/zinc/37/87/94/1373378794.db2.gz UMQCBKWXFWZWOM-UHFFFAOYSA-N -1 1 327.312 2.443 20 0 EEADMM COC(=O)COc1ccc(N(C)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001362467272 1373417240 /nfs/dbraw/zinc/41/72/40/1373417240.db2.gz XXUBELRLADPJPI-UHFFFAOYSA-N -1 1 333.315 2.360 20 0 EEADMM CCO[C@H](CNC(=O)c1cnc(SC)[n-]c1=O)c1ccccc1 ZINC001363102947 1373483586 /nfs/dbraw/zinc/48/35/86/1373483586.db2.gz NAULWNUHAWDYOW-CYBMUJFWSA-N -1 1 333.413 2.412 20 0 EEADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001363171406 1373486896 /nfs/dbraw/zinc/48/68/96/1373486896.db2.gz BZKLALAORBNIOJ-HNNXBMFYSA-N -1 1 347.798 2.489 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cnc(SC)[n-]c2=O)c1 ZINC001363438577 1373516043 /nfs/dbraw/zinc/51/60/43/1373516043.db2.gz DTYAGVQSCJBZIF-AAEUAGOBSA-N -1 1 345.424 2.446 20 0 EEADMM Cc1cc(CNC(=O)c2cc(Br)ccc2[O-])cc(=O)[nH]1 ZINC001363453437 1373520141 /nfs/dbraw/zinc/52/01/41/1373520141.db2.gz IIYXOXWQZYGVLU-UHFFFAOYSA-N -1 1 337.173 2.494 20 0 EEADMM CSc1nc(CNC(=O)c2ccc(OC(F)F)cc2)cc(=O)[n-]1 ZINC001363633878 1373540260 /nfs/dbraw/zinc/54/02/60/1373540260.db2.gz PVOZVAITJJZOIY-UHFFFAOYSA-N -1 1 341.339 2.436 20 0 EEADMM Cc1cc(CS(=O)(=O)[N-]CC(=O)c2cc(Cl)ccc2F)on1 ZINC001364024325 1373572642 /nfs/dbraw/zinc/57/26/42/1373572642.db2.gz MRKWHKNTTRBDLJ-UHFFFAOYSA-N -1 1 346.767 2.078 20 0 EEADMM CCC1(C(=O)NC2CCC(N(C)C(=O)c3ncccc3[O-])CC2)CC1 ZINC001369727185 1374607191 /nfs/dbraw/zinc/60/71/91/1374607191.db2.gz XPBGAZJOPGWFOT-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001370260468 1374861203 /nfs/dbraw/zinc/86/12/03/1374861203.db2.gz XQVVWHZVKNJTRZ-UONOGXRCSA-N -1 1 333.432 2.381 20 0 EEADMM CCN(C(=O)CCC(C)C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001390068211 1388427809 /nfs/dbraw/zinc/42/78/09/1388427809.db2.gz GBDHTTXMSXJQGK-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C)cc1C ZINC001375062260 1377331160 /nfs/dbraw/zinc/33/11/60/1377331160.db2.gz YDBRTFUBSRQBRD-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM Cc1cccc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])c1F ZINC001375694310 1377930815 /nfs/dbraw/zinc/93/08/15/1377930815.db2.gz IDWFTDGUUWUHST-LLVKDONJSA-N -1 1 345.374 2.031 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2ccns2)C1 ZINC001377664134 1379416569 /nfs/dbraw/zinc/41/65/69/1379416569.db2.gz ZRNOLHYNEWTGGO-ZDUSSCGKSA-N -1 1 346.456 2.370 20 0 EEADMM CCCCC(=O)N1CCC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001390396562 1388622740 /nfs/dbraw/zinc/62/27/40/1388622740.db2.gz YDFLKDHTPAVJRX-SFHVURJKSA-N -1 1 333.432 2.336 20 0 EEADMM CCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001378172745 1379753504 /nfs/dbraw/zinc/75/35/04/1379753504.db2.gz FTEUQGHWRNUSRU-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001379144960 1380578561 /nfs/dbraw/zinc/57/85/61/1380578561.db2.gz CASZBMANIXIKBI-KBPBESRZSA-N -1 1 349.479 2.005 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001383714317 1382684513 /nfs/dbraw/zinc/68/45/13/1382684513.db2.gz HZCBGNZTIMTTBD-GFCCVEGCSA-N -1 1 347.459 2.436 20 0 EEADMM CCC(CC)C(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001384075160 1382782566 /nfs/dbraw/zinc/78/25/66/1382782566.db2.gz XTGSTQVYWOVNPD-CABCVRRESA-N -1 1 345.443 2.381 20 0 EEADMM CCCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384524475 1384438631 /nfs/dbraw/zinc/43/86/31/1384438631.db2.gz WFLYZZTYHNNPKB-RYUDHWBXSA-N -1 1 348.447 2.263 20 0 EEADMM CCC(C)(CC)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385252163 1385400871 /nfs/dbraw/zinc/40/08/71/1385400871.db2.gz GYIRMPIYSAAXJH-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001385481418 1385610667 /nfs/dbraw/zinc/61/06/67/1385610667.db2.gz QYUSYYBUUYSMJJ-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](NC(=O)C1(C)CCC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001385531396 1385655033 /nfs/dbraw/zinc/65/50/33/1385655033.db2.gz JHUMQGBVYLTNGE-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CCNC(=O)c2ncccc2[O-])c(C)s1 ZINC001386670645 1386250939 /nfs/dbraw/zinc/25/09/39/1386250939.db2.gz XYHWNIYFYSAXPV-SNVBAGLBSA-N -1 1 347.440 2.404 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387480200 1386766953 /nfs/dbraw/zinc/76/69/53/1386766953.db2.gz CBPSHKVFCIUAFR-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C2CC2)c1 ZINC001392899996 1390239665 /nfs/dbraw/zinc/23/96/65/1390239665.db2.gz KMMAZAQWPYYJBF-LBPRGKRZSA-N -1 1 339.395 2.213 20 0 EEADMM O=C(NC1(CNC(=O)C2CCCCCC2)CC1)c1ncccc1[O-] ZINC001393557712 1390471388 /nfs/dbraw/zinc/47/13/88/1390471388.db2.gz HDTWDIRDHZBRMN-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccoc1C ZINC001395234691 1390804050 /nfs/dbraw/zinc/80/40/50/1390804050.db2.gz KDMBZPHOFJQQHD-CYBMUJFWSA-N -1 1 345.399 2.407 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])ccc1F ZINC001395651477 1390850927 /nfs/dbraw/zinc/85/09/27/1390850927.db2.gz WZELMTFJJCGHFQ-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCC[C@H](CC)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001396543402 1390954482 /nfs/dbraw/zinc/95/44/82/1390954482.db2.gz VVNBDSCCXVCEJD-MELADBBJSA-N -1 1 333.432 2.238 20 0 EEADMM CCN(CCNC(=O)C(C)(C)C1CCC1)C(=O)c1ncccc1[O-] ZINC001398117993 1391717206 /nfs/dbraw/zinc/71/72/06/1391717206.db2.gz ATQRFXIUPUWJPF-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)cc1C ZINC001423697483 1400754419 /nfs/dbraw/zinc/75/44/19/1400754419.db2.gz QTWLFUZMDHVERR-HOSYDEDBSA-N -1 1 329.418 2.478 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1C ZINC001423697487 1400754217 /nfs/dbraw/zinc/75/42/17/1400754217.db2.gz QTWLFUZMDHVERR-JFGNBEQYSA-N -1 1 329.418 2.478 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2Cc3ccccc3OC[C@H]2C)c1 ZINC001423957678 1400826627 /nfs/dbraw/zinc/82/66/27/1400826627.db2.gz JOFNLXIKQQUWFO-GFCCVEGCSA-N -1 1 349.408 2.373 20 0 EEADMM C[C@@H](CNC(=O)CCc1cccs1)N(C)C(=O)c1ncccc1[O-] ZINC001424141755 1400929100 /nfs/dbraw/zinc/92/91/00/1400929100.db2.gz OQYFRDLGHMWXFI-LBPRGKRZSA-N -1 1 347.440 2.058 20 0 EEADMM CC(C)C1(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001424673897 1401210469 /nfs/dbraw/zinc/21/04/69/1401210469.db2.gz XGMORIJORSBXIG-UONOGXRCSA-N -1 1 345.443 2.381 20 0 EEADMM Cn1cc([C@H](NC(=O)c2ccc3ccccc3c2[O-])c2ncon2)cn1 ZINC001569721192 1403508280 /nfs/dbraw/zinc/50/82/80/1403508280.db2.gz BREBZCWVWOTECZ-HNNXBMFYSA-N -1 1 349.350 2.181 20 0 EEADMM CC(C)CN(C)c1nnc(C2CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574203055 1403519859 /nfs/dbraw/zinc/51/98/59/1403519859.db2.gz KKIBWUNBKLTTQD-UHFFFAOYSA-N -1 1 342.407 2.069 20 0 EEADMM CC(C)CN(C)c1nnc(C2CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574203055 1403519862 /nfs/dbraw/zinc/51/98/62/1403519862.db2.gz KKIBWUNBKLTTQD-UHFFFAOYSA-N -1 1 342.407 2.069 20 0 EEADMM COc1ncc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC001580129947 1403831501 /nfs/dbraw/zinc/83/15/01/1403831501.db2.gz DYRPPDRUZSVEDM-NSHDSACASA-N -1 1 338.371 2.321 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CC3(CO2)CCCCC3)c1 ZINC001580608729 1403863109 /nfs/dbraw/zinc/86/31/09/1403863109.db2.gz IIJMSFHAIMRQLF-ZDUSSCGKSA-N -1 1 329.404 2.076 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001581208094 1403877541 /nfs/dbraw/zinc/87/75/41/1403877541.db2.gz JUVZISQVIZBDST-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001581208094 1403877550 /nfs/dbraw/zinc/87/75/50/1403877550.db2.gz JUVZISQVIZBDST-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM CCCC[C@H](COC)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590581493 1403889081 /nfs/dbraw/zinc/88/90/81/1403889081.db2.gz JFMQTIUKJMFOEU-SNVBAGLBSA-N -1 1 339.346 2.080 20 0 EEADMM CCCC[C@H](COC)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590581493 1403889090 /nfs/dbraw/zinc/88/90/90/1403889090.db2.gz JFMQTIUKJMFOEU-SNVBAGLBSA-N -1 1 339.346 2.080 20 0 EEADMM CCOC(=O)C[C@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001590761289 1403898913 /nfs/dbraw/zinc/89/89/13/1403898913.db2.gz WRAMLLJNAQIGNA-NSHDSACASA-N -1 1 340.387 2.416 20 0 EEADMM CCOC(=O)C[C@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001590761289 1403898920 /nfs/dbraw/zinc/89/89/20/1403898920.db2.gz WRAMLLJNAQIGNA-NSHDSACASA-N -1 1 340.387 2.416 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591759542 1403944273 /nfs/dbraw/zinc/94/42/73/1403944273.db2.gz ATQTVRZRAMQOFG-ZCFIWIBFSA-N -1 1 349.263 2.350 20 0 EEADMM C[C@H](CC(F)(F)F)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591759542 1403944279 /nfs/dbraw/zinc/94/42/79/1403944279.db2.gz ATQTVRZRAMQOFG-ZCFIWIBFSA-N -1 1 349.263 2.350 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](COCC(C)C)c2ccco2)n1 ZINC001591892233 1403970800 /nfs/dbraw/zinc/97/08/00/1403970800.db2.gz SBVUTGYSGJRLFN-CYBMUJFWSA-N -1 1 343.391 2.384 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](COCC(C)C)c2ccco2)n1 ZINC001591892233 1403970812 /nfs/dbraw/zinc/97/08/12/1403970812.db2.gz SBVUTGYSGJRLFN-CYBMUJFWSA-N -1 1 343.391 2.384 20 0 EEADMM Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001592243510 1404012908 /nfs/dbraw/zinc/01/29/08/1404012908.db2.gz BBWUVJVXLMFYJQ-JTQLQIEISA-N -1 1 349.441 2.276 20 0 EEADMM Cc1cccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001592243510 1404012917 /nfs/dbraw/zinc/01/29/17/1404012917.db2.gz BBWUVJVXLMFYJQ-JTQLQIEISA-N -1 1 349.441 2.276 20 0 EEADMM Cc1nsc(C)c1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001592467226 1404697256 /nfs/dbraw/zinc/69/72/56/1404697256.db2.gz DPQYJUYKNDMFRX-UHFFFAOYSA-N -1 1 326.345 2.052 20 0 EEADMM Cc1nsc(C)c1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001592467226 1404697266 /nfs/dbraw/zinc/69/72/66/1404697266.db2.gz DPQYJUYKNDMFRX-UHFFFAOYSA-N -1 1 326.345 2.052 20 0 EEADMM Cc1nsc(NC(=O)c2cccnc2C(F)F)c1-c1nnn[n-]1 ZINC001592482225 1404702071 /nfs/dbraw/zinc/70/20/71/1404702071.db2.gz YXHNBOYLAYYGCK-UHFFFAOYSA-N -1 1 337.315 2.217 20 0 EEADMM Cc1nsc(NC(=O)c2cccnc2C(F)F)c1-c1nn[n-]n1 ZINC001592482225 1404702076 /nfs/dbraw/zinc/70/20/76/1404702076.db2.gz YXHNBOYLAYYGCK-UHFFFAOYSA-N -1 1 337.315 2.217 20 0 EEADMM O=C(CCc1ccsc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592855163 1404725867 /nfs/dbraw/zinc/72/58/67/1404725867.db2.gz DZTUYINHFDHUTC-UHFFFAOYSA-N -1 1 329.389 2.100 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1ccc(-c2nnn[n-]2)s1 ZINC001593027951 1404734453 /nfs/dbraw/zinc/73/44/53/1404734453.db2.gz AVIVIKNSSCVOSF-PBINXNQUSA-N -1 1 335.458 2.332 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1ccc(-c2nn[n-]n2)s1 ZINC001593027951 1404734464 /nfs/dbraw/zinc/73/44/64/1404734464.db2.gz AVIVIKNSSCVOSF-PBINXNQUSA-N -1 1 335.458 2.332 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCCC(=O)OC(C)(C)C ZINC001606170842 1404773117 /nfs/dbraw/zinc/77/31/17/1404773117.db2.gz PCTKXCOERRTFIH-UHFFFAOYSA-N -1 1 336.348 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCCC(=O)OC(C)(C)C ZINC001606170842 1404773120 /nfs/dbraw/zinc/77/31/20/1404773120.db2.gz PCTKXCOERRTFIH-UHFFFAOYSA-N -1 1 336.348 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOc1ccnc(Cl)c1 ZINC001606170701 1404773206 /nfs/dbraw/zinc/77/32/06/1404773206.db2.gz NSBWCHMOXGGCKC-UHFFFAOYSA-N -1 1 349.734 2.052 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOc1ccnc(Cl)c1 ZINC001606170701 1404773209 /nfs/dbraw/zinc/77/32/09/1404773209.db2.gz NSBWCHMOXGGCKC-UHFFFAOYSA-N -1 1 349.734 2.052 20 0 EEADMM Cc1sc(Cl)nc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606183308 1404774294 /nfs/dbraw/zinc/77/42/94/1404774294.db2.gz PHXKTDWPHFUOFZ-UHFFFAOYSA-N -1 1 336.764 2.243 20 0 EEADMM Clc1ccc2nc(COc3cccnc3-c3nnn[n-]3)cn2c1 ZINC001606192888 1404776091 /nfs/dbraw/zinc/77/60/91/1404776091.db2.gz KLHXBDPWTBCNCQ-UHFFFAOYSA-N -1 1 327.735 2.142 20 0 EEADMM Clc1ccc2nc(COc3cccnc3-c3nn[n-]n3)cn2c1 ZINC001606192888 1404776106 /nfs/dbraw/zinc/77/61/06/1404776106.db2.gz KLHXBDPWTBCNCQ-UHFFFAOYSA-N -1 1 327.735 2.142 20 0 EEADMM FC1(c2ccccc2)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001606299452 1404782505 /nfs/dbraw/zinc/78/25/05/1404782505.db2.gz FTDXYOCGPASWMJ-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM FC1(c2ccccc2)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001606299452 1404782511 /nfs/dbraw/zinc/78/25/11/1404782511.db2.gz FTDXYOCGPASWMJ-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM Fc1ccc(CNc2cncc(-c3nnn[n-]3)n2)c(C(F)(F)F)c1 ZINC001606319643 1404791914 /nfs/dbraw/zinc/79/19/14/1404791914.db2.gz XNJKHSCXXAXKTB-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1ccc(CNc2cncc(-c3nn[n-]n3)n2)c(C(F)(F)F)c1 ZINC001606319643 1404791918 /nfs/dbraw/zinc/79/19/18/1404791918.db2.gz XNJKHSCXXAXKTB-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM Fc1cccc([C@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)CCO2)c1 ZINC001606327402 1404793492 /nfs/dbraw/zinc/79/34/92/1404793492.db2.gz OCEDVKVODOOCQL-CYBMUJFWSA-N -1 1 346.391 2.036 20 0 EEADMM Fc1cccc([C@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)CCO2)c1 ZINC001606327402 1404793500 /nfs/dbraw/zinc/79/35/00/1404793500.db2.gz OCEDVKVODOOCQL-CYBMUJFWSA-N -1 1 346.391 2.036 20 0 EEADMM COC(=O)[C@H](CCC(=O)[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC001606332740 1404795845 /nfs/dbraw/zinc/79/58/45/1404795845.db2.gz RGSAPOQUJFBNAK-KRWDZBQOSA-N -1 1 349.427 2.443 20 0 EEADMM CCC[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000185061405 1406053558 /nfs/dbraw/zinc/05/35/58/1406053558.db2.gz WVHCWAHYPNVWKS-HZMBPMFUSA-N -1 1 328.359 2.327 20 0 EEADMM CCCCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001756578928 1409088731 /nfs/dbraw/zinc/08/87/31/1409088731.db2.gz XLCLJFQMMSEHQS-KBPBESRZSA-N -1 1 333.432 2.477 20 0 EEADMM CC/C=C(/C)C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001757043253 1409560160 /nfs/dbraw/zinc/56/01/60/1409560160.db2.gz SFQZZBNLHGUADF-SYGOVTOWSA-N -1 1 343.427 2.301 20 0 EEADMM C[C@H]1C[C@H]1C(=O)NCCCCCCN(C)C(=O)c1ncccc1[O-] ZINC001757427691 1409711354 /nfs/dbraw/zinc/71/13/54/1409711354.db2.gz IWBWQDAJUUIVRG-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000320521058 1409858537 /nfs/dbraw/zinc/85/85/37/1409858537.db2.gz GUCTZOMYGBYNOD-UHFFFAOYSA-N -1 1 333.344 2.457 20 0 EEADMM CO[C@@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(C)C)CC1 ZINC001772333774 1410136747 /nfs/dbraw/zinc/13/67/47/1410136747.db2.gz WWFCZWHBGAMPBV-KRWDZBQOSA-N -1 1 348.451 2.425 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H](CCNC(=O)c3ncccc3[O-])C2)CC1 ZINC001060348494 790274235 /nfs/dbraw/zinc/27/42/35/790274235.db2.gz LDQMDRCKZWCETO-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM O=C([N-]C1(CNC(=O)c2ccoc2C(F)(F)F)CCC1)C(F)F ZINC001063174999 790303280 /nfs/dbraw/zinc/30/32/80/790303280.db2.gz BAGNFILHIRTSHU-UHFFFAOYSA-N -1 1 340.248 2.332 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167374052 758178033 /nfs/dbraw/zinc/17/80/33/758178033.db2.gz OTIFEFZRNXOMOB-CYBMUJFWSA-N -1 1 349.479 2.103 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167374053 758178750 /nfs/dbraw/zinc/17/87/50/758178750.db2.gz OTIFEFZRNXOMOB-ZDUSSCGKSA-N -1 1 349.479 2.103 20 0 EEADMM CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)[N-]OCC(C)(C)O ZINC000834622389 758356122 /nfs/dbraw/zinc/35/61/22/758356122.db2.gz WUONZLRVDYAOMJ-UHFFFAOYSA-N -1 1 332.441 2.136 20 0 EEADMM CCC1(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001060715915 769089658 /nfs/dbraw/zinc/08/96/58/769089658.db2.gz PKHWBQUMPDKDDG-HDJSIYSDSA-N -1 1 345.443 2.382 20 0 EEADMM CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715846 769095675 /nfs/dbraw/zinc/09/56/75/769095675.db2.gz MORDLGWQXOBAIW-HDJSIYSDSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@H](c1ccc(F)cc1F)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628526 770446756 /nfs/dbraw/zinc/44/67/56/770446756.db2.gz PLFHICASVOBGOK-LLVKDONJSA-N -1 1 347.365 2.488 20 0 EEADMM O=C(COC(=O)Cc1cc2ccccc2o1)[N-]C(=O)c1ccccc1 ZINC000920656618 770818180 /nfs/dbraw/zinc/81/81/80/770818180.db2.gz IMFMFMFBHIOFRY-UHFFFAOYSA-N -1 1 337.331 2.475 20 0 EEADMM CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979783979 773276585 /nfs/dbraw/zinc/27/65/85/773276585.db2.gz BMCPCGGVZYSKNP-AVGNSLFASA-N -1 1 347.390 2.017 20 0 EEADMM Cc1coc(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)c1 ZINC000980146847 773947479 /nfs/dbraw/zinc/94/74/79/773947479.db2.gz QSWVNFUNHCBLHO-UHFFFAOYSA-N -1 1 343.383 2.160 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC000942755323 783139231 /nfs/dbraw/zinc/13/92/31/783139231.db2.gz FIMCHMDYDNDKBB-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC000939507030 776695809 /nfs/dbraw/zinc/69/58/09/776695809.db2.gz QEYDXZQSDYYENW-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM Cc1ccnc(NCC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063272369 790536989 /nfs/dbraw/zinc/53/69/89/790536989.db2.gz OOGPJZJMYCRTFE-CQSZACIVSA-N -1 1 341.415 2.240 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H](CCNc2nccnc2F)C1 ZINC001063272404 790537430 /nfs/dbraw/zinc/53/74/30/790537430.db2.gz PELSLAHSVHWURA-GFCCVEGCSA-N -1 1 345.378 2.071 20 0 EEADMM CCn1c(CNC(=O)c2cc3c(C)nn(C)c3s2)n[n-]c1=S ZINC000067050501 779767357 /nfs/dbraw/zinc/76/73/57/779767357.db2.gz ZKLABYFDTXINPA-UHFFFAOYSA-N -1 1 336.446 2.147 20 0 EEADMM O=C(CC1CCCCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982408333 780031086 /nfs/dbraw/zinc/03/10/86/780031086.db2.gz IPCRWVQXNHGVFJ-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](Oc1[n-]c(=O)ncc1I)c1ccncc1 ZINC001226771245 781800718 /nfs/dbraw/zinc/80/07/18/781800718.db2.gz SYQCNFDTFBGDPO-ZETCQYMHSA-N -1 1 343.124 2.322 20 0 EEADMM CC(C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C)=C1CCC1 ZINC000945287830 783780581 /nfs/dbraw/zinc/78/05/81/783780581.db2.gz ISYNHWBNPRMQPG-IUODEOHRSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CN(C(=O)C2(C)CCCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945419742 784068165 /nfs/dbraw/zinc/06/81/65/784068165.db2.gz KBLXBRJEQBUDID-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000816866488 784304541 /nfs/dbraw/zinc/30/45/41/784304541.db2.gz PNAQDFBWGJQLMW-ZDUSSCGKSA-N -1 1 347.415 2.307 20 0 EEADMM CC(C)CC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945581348 784391566 /nfs/dbraw/zinc/39/15/66/784391566.db2.gz UNSFDXXIEQAHCQ-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1cccc(Cl)c1 ZINC000907472807 784641169 /nfs/dbraw/zinc/64/11/69/784641169.db2.gz CYDCKULGIAVJGI-BXKDBHETSA-N -1 1 337.836 2.273 20 0 EEADMM Cc1ccsc1CCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907473897 784642081 /nfs/dbraw/zinc/64/20/81/784642081.db2.gz HPDFRWPJZJVADY-LLVKDONJSA-N -1 1 337.474 2.209 20 0 EEADMM O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479760 784687350 /nfs/dbraw/zinc/68/73/50/784687350.db2.gz HZEWCJJKEUDCBJ-YNEHKIRRSA-N -1 1 349.847 2.273 20 0 EEADMM CS/C=C/C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489457 784792384 /nfs/dbraw/zinc/79/23/84/784792384.db2.gz BKTAJLOBBYAIMT-MLRMMBSGSA-N -1 1 344.358 2.500 20 0 EEADMM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907676370 784792465 /nfs/dbraw/zinc/79/24/65/784792465.db2.gz LUUCQVSXNVZTSA-OAHLLOKOSA-N -1 1 341.411 2.389 20 0 EEADMM CS[C@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493313 784795266 /nfs/dbraw/zinc/79/52/66/784795266.db2.gz UDJAOTAFDQDFQM-KOLCDFICSA-N -1 1 346.374 2.374 20 0 EEADMM COCCCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492165 784795498 /nfs/dbraw/zinc/79/54/98/784795498.db2.gz HQUYAMCIZBUZSV-GFCCVEGCSA-N -1 1 344.333 2.049 20 0 EEADMM COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(O)cc3[O-])nc2C1 ZINC000817467864 784801691 /nfs/dbraw/zinc/80/16/91/784801691.db2.gz CTTPGJQBORQPNT-QMMMGPOBSA-N -1 1 348.380 2.085 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)n[nH]1 ZINC000907824806 784891824 /nfs/dbraw/zinc/89/18/24/784891824.db2.gz WWALOBMWYRQGRV-GEWABHDNSA-N -1 1 327.384 2.024 20 0 EEADMM Cc1ccc(O)cc1C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000907959713 784987728 /nfs/dbraw/zinc/98/77/28/784987728.db2.gz NGNDHLDRCAKGMT-UHFFFAOYSA-N -1 1 344.333 2.231 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N1CCc2c1cccc2C(=O)[O-] ZINC000907982594 785007597 /nfs/dbraw/zinc/00/75/97/785007597.db2.gz LKNVQEZGUAAZFQ-UHFFFAOYSA-N -1 1 338.407 2.448 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945922335 785054677 /nfs/dbraw/zinc/05/46/77/785054677.db2.gz WKLADBGUTMSVPE-STQMWFEESA-N -1 1 347.390 2.114 20 0 EEADMM CN(C(=O)C[N@@H+](C)CCc1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908089511 785056583 /nfs/dbraw/zinc/05/65/83/785056583.db2.gz WRYAVDIBHJCQSS-UHFFFAOYSA-N -1 1 340.423 2.451 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908089511 785056586 /nfs/dbraw/zinc/05/65/86/785056586.db2.gz WRYAVDIBHJCQSS-UHFFFAOYSA-N -1 1 340.423 2.451 20 0 EEADMM Nc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(O)c1 ZINC000817911616 785062769 /nfs/dbraw/zinc/06/27/69/785062769.db2.gz QCNACYHINQKREM-UHFFFAOYSA-N -1 1 340.379 2.415 20 0 EEADMM CCc1ccc([C@@H](O)CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000908121829 785095675 /nfs/dbraw/zinc/09/56/75/785095675.db2.gz ARTWLENTXTVRQJ-HNNXBMFYSA-N -1 1 327.384 2.085 20 0 EEADMM O=C(CC1CCC1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000945929742 785140176 /nfs/dbraw/zinc/14/01/76/785140176.db2.gz MPUPROIQFROWPP-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM CN1CCCC[C@@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218911 785244395 /nfs/dbraw/zinc/24/43/95/785244395.db2.gz RJVHVRLKNBCNFP-OAHLLOKOSA-N -1 1 330.384 2.274 20 0 EEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(Cl)c1 ZINC000819766153 785663512 /nfs/dbraw/zinc/66/35/12/785663512.db2.gz VPDZCWCBEVLQLT-YVMONPNESA-N -1 1 329.751 2.043 20 0 EEADMM C/C=C\C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000908747632 785686826 /nfs/dbraw/zinc/68/68/26/785686826.db2.gz OMELWZTUQPGMMW-KUHFFWNOSA-N -1 1 335.404 2.135 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000909071869 785960829 /nfs/dbraw/zinc/96/08/29/785960829.db2.gz YDOXEWDHCXTLLT-KPZWWZAWSA-N -1 1 341.411 2.409 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000820616641 785990567 /nfs/dbraw/zinc/99/05/67/785990567.db2.gz UJVZIHKSPFTFSI-YEZLUTFDSA-N -1 1 326.414 2.302 20 0 EEADMM Cc1cc(CC(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])[nH]n1 ZINC000909787378 786247697 /nfs/dbraw/zinc/24/76/97/786247697.db2.gz CUYZPUSPDMIWKN-PBHICJAKSA-N -1 1 341.411 2.340 20 0 EEADMM Cc1cc(C)cc([C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000909794882 786256565 /nfs/dbraw/zinc/25/65/65/786256565.db2.gz VEUVTHLADCPXKK-CJNGLKHVSA-N -1 1 327.384 2.389 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000909847797 786281130 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CCc1ccc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821480937 786780202 /nfs/dbraw/zinc/78/02/02/786780202.db2.gz GICNBPBDQIZCGA-UHFFFAOYSA-N -1 1 328.401 2.457 20 0 EEADMM C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC000910512206 786824625 /nfs/dbraw/zinc/82/46/25/786824625.db2.gz FHBSBVSRQIQGNC-FHSNZYRGSA-N -1 1 336.407 2.201 20 0 EEADMM Cc1ccc2ccnc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)c2c1 ZINC000910678211 786972235 /nfs/dbraw/zinc/97/22/35/786972235.db2.gz BMCQJOYRRFEYNX-CQSZACIVSA-N -1 1 327.384 2.278 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000910922228 787125127 /nfs/dbraw/zinc/12/51/27/787125127.db2.gz ISODPZGVBUNQIM-ZDUSSCGKSA-N -1 1 333.363 2.406 20 0 EEADMM CCOC(=O)N[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000822325408 787128136 /nfs/dbraw/zinc/12/81/36/787128136.db2.gz ACXIEWJMMHDUCD-CYBMUJFWSA-N -1 1 343.383 2.291 20 0 EEADMM CSCc1noc(CCC(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC000910984222 787163658 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CN(C)[C@@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000911193716 787292114 /nfs/dbraw/zinc/29/21/14/787292114.db2.gz ORXUDGRQHQJPSK-KRWDZBQOSA-N -1 1 344.386 2.486 20 0 EEADMM CCC[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062077052 787309449 /nfs/dbraw/zinc/30/94/49/787309449.db2.gz BETNWJWZQXJDHK-UONOGXRCSA-N -1 1 333.432 2.334 20 0 EEADMM CC[N@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cc(C(C)C)on1 ZINC000911290825 787359633 /nfs/dbraw/zinc/35/96/33/787359633.db2.gz NVTSFMYTBNSXAG-ZDUSSCGKSA-N -1 1 337.420 2.199 20 0 EEADMM C[C@@H](Sc1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+]1C)C(=O)[O-] ZINC000911418203 787433962 /nfs/dbraw/zinc/43/39/62/787433962.db2.gz JKLWQZNNYBTMQX-CHWSQXEVSA-N -1 1 336.457 2.418 20 0 EEADMM CCC1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001062149329 787483956 /nfs/dbraw/zinc/48/39/56/787483956.db2.gz ATCMTTWPAUEUHN-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM C[N@H+]1CC[C@H](NC(=O)c2csc(C(=O)[O-])n2)[C@H]1c1ccccc1 ZINC000911508408 787504130 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EEADMM O=C(N[C@H]1CCC[C@H]1CNc1cccc(F)n1)c1ncccc1[O-] ZINC001064093499 792335363 /nfs/dbraw/zinc/33/53/63/792335363.db2.gz KMIZSTOMDSMYCJ-RYUDHWBXSA-N -1 1 330.363 2.332 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1CNc1cccc(F)n1)c1ncccc1[O-] ZINC001064093498 792336169 /nfs/dbraw/zinc/33/61/69/792336169.db2.gz KMIZSTOMDSMYCJ-NWDGAFQWSA-N -1 1 330.363 2.332 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064263413 792769915 /nfs/dbraw/zinc/76/99/15/792769915.db2.gz PRLYEJGRWBEBIG-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cc(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)ccc1Cl ZINC000998753271 793361387 /nfs/dbraw/zinc/36/13/87/793361387.db2.gz LAGXMMMXNYJHIQ-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM O=C(CCC(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(Cl)cc1 ZINC000913742125 794200698 /nfs/dbraw/zinc/20/06/98/794200698.db2.gz ILMNFMIAUUURPS-UHFFFAOYSA-N -1 1 347.806 2.222 20 0 EEADMM CC1(C)C[C@@]1(C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000913745556 794213439 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EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(C)c1 ZINC000050530677 214058270 /nfs/dbraw/zinc/05/82/70/214058270.db2.gz REQHQJANYUAKKV-UHFFFAOYSA-N -1 1 345.380 2.459 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000056751151 214387298 /nfs/dbraw/zinc/38/72/98/214387298.db2.gz FYKMGOJMYLLCIZ-SWLSCSKDSA-N -1 1 340.427 2.378 20 0 EEADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000132594698 529537545 /nfs/dbraw/zinc/53/75/45/529537545.db2.gz JBHHTTYUDKFQRS-NHYWBVRUSA-N -1 1 326.418 2.441 20 0 EEADMM CN(CC1(O)CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000188035555 529858189 /nfs/dbraw/zinc/85/81/89/529858189.db2.gz LDQBEDTWWQMMAO-UHFFFAOYSA-N -1 1 333.306 2.025 20 0 EEADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000106006684 529950435 /nfs/dbraw/zinc/95/04/35/529950435.db2.gz WIWCEBLZMSJWKQ-LLVKDONJSA-N -1 1 346.408 2.170 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)o1 ZINC000171598058 530028502 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RBLYHCAZBSKZAI-UHFFFAOYSA-N -1 1 331.372 2.159 20 0 EEADMM CCC(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825038470 607613374 /nfs/dbraw/zinc/61/33/74/607613374.db2.gz CIGPYRGGWWFIKQ-UHFFFAOYSA-N -1 1 337.339 2.211 20 0 EEADMM CCC(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825038470 607613376 /nfs/dbraw/zinc/61/33/76/607613376.db2.gz CIGPYRGGWWFIKQ-UHFFFAOYSA-N -1 1 337.339 2.211 20 0 EEADMM CN(CC(=O)Nc1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC000828114050 604116142 /nfs/dbraw/zinc/11/61/42/604116142.db2.gz ASLLOKGLYHQRML-UHFFFAOYSA-N -1 1 337.557 2.356 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1)C(=O)[O-] ZINC000833539573 604626950 /nfs/dbraw/zinc/62/69/50/604626950.db2.gz HPQCLEVVMCJOOB-CZUORRHYSA-N -1 1 335.400 2.266 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(F)c1 ZINC000830580573 604672852 /nfs/dbraw/zinc/67/28/52/604672852.db2.gz HZTWDEAZXNPEJO-HUUCEWRRSA-N -1 1 337.395 2.077 20 0 EEADMM CN1CCCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000830941138 604781146 /nfs/dbraw/zinc/78/11/46/604781146.db2.gz SSBHCIIOUMFIPX-QGZVFWFLSA-N -1 1 345.443 2.272 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@H]2CCCN(c3ccccc3)C2=O)O1 ZINC000833576166 604830098 /nfs/dbraw/zinc/83/00/98/604830098.db2.gz HIHCYOMBXHBAGW-RDJZCZTQSA-N -1 1 344.411 2.261 20 0 EEADMM CC(C)CN1CCO[C@@H](COC(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000826886037 604885396 /nfs/dbraw/zinc/88/53/96/604885396.db2.gz OWVDBTHNLNZWTA-CYBMUJFWSA-N -1 1 339.363 2.038 20 0 EEADMM COCCOc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccnc1 ZINC000831766975 605007100 /nfs/dbraw/zinc/00/71/00/605007100.db2.gz CGTAPLWQXRZNJH-QGZVFWFLSA-N -1 1 330.384 2.331 20 0 EEADMM CC(C)Oc1cccc([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000833507174 605070400 /nfs/dbraw/zinc/07/04/00/605070400.db2.gz XKKUIQCZDNUHTE-CQSZACIVSA-N -1 1 348.443 2.448 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCc2sccc21 ZINC000833626191 605115196 /nfs/dbraw/zinc/11/51/96/605115196.db2.gz YBUNWZUEDJNDTG-OCCSQVGLSA-N -1 1 336.457 2.175 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000833624456 605155904 /nfs/dbraw/zinc/15/59/04/605155904.db2.gz IKAZFCBLSXGTPX-AWEZNQCLSA-N -1 1 341.411 2.303 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833385141 605167034 /nfs/dbraw/zinc/16/70/34/605167034.db2.gz GNJDSWWWVLYSLB-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)n1 ZINC000833733671 605167975 /nfs/dbraw/zinc/16/79/75/605167975.db2.gz XTEXOJZCBMLSCQ-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(-c2ccc(F)cc2)no1 ZINC000833628698 605197441 /nfs/dbraw/zinc/19/74/41/605197441.db2.gz NYBZRPOPGYVHFW-CYBMUJFWSA-N -1 1 347.390 2.462 20 0 EEADMM O=C([O-])NCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000833777060 605374863 /nfs/dbraw/zinc/37/48/63/605374863.db2.gz DRPZFUCQAYVPPO-CYBMUJFWSA-N -1 1 349.435 2.216 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000833471914 605550283 /nfs/dbraw/zinc/55/02/83/605550283.db2.gz QWZVQGKETYNGDR-MRXNPFEDSA-N -1 1 349.431 2.344 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cc(C)ccc1OC)C(=O)[O-] ZINC000833640509 605596971 /nfs/dbraw/zinc/59/69/71/605596971.db2.gz ZFPNVGKMLYLVEV-AHIWAGSCSA-N -1 1 336.432 2.270 20 0 EEADMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820137153 606021180 /nfs/dbraw/zinc/02/11/80/606021180.db2.gz GVDBKSYDYUVVMI-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820137153 606021182 /nfs/dbraw/zinc/02/11/82/606021182.db2.gz GVDBKSYDYUVVMI-UHFFFAOYSA-N -1 1 341.350 2.473 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCC2CCCC2)n1 ZINC000822614939 606161847 /nfs/dbraw/zinc/16/18/47/606161847.db2.gz XQQXKFJFUFHHGG-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCC2CCCC2)n1 ZINC000822614939 606161849 /nfs/dbraw/zinc/16/18/49/606161849.db2.gz XQQXKFJFUFHHGG-UHFFFAOYSA-N -1 1 332.412 2.082 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820390770 606196041 /nfs/dbraw/zinc/19/60/41/606196041.db2.gz JRWFTCFKUIHUJM-SECBINFHSA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820535546 606294065 /nfs/dbraw/zinc/29/40/65/606294065.db2.gz PBCRRNOCZDQGGB-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821368686 606399217 /nfs/dbraw/zinc/39/92/17/606399217.db2.gz UVQKTKRKSIWZDF-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821368686 606399218 /nfs/dbraw/zinc/39/92/18/606399218.db2.gz UVQKTKRKSIWZDF-KBPBESRZSA-N -1 1 345.403 2.402 20 0 EEADMM CC(C)C[C@H](NCc1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)C ZINC000820107809 606420031 /nfs/dbraw/zinc/42/00/31/606420031.db2.gz CGENYZOAIAGLGA-LBPRGKRZSA-N -1 1 337.449 2.384 20 0 EEADMM CCOC(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000821343226 606428518 /nfs/dbraw/zinc/42/85/18/606428518.db2.gz LUSRNOMBIFPLKN-UHFFFAOYSA-N -1 1 348.750 2.297 20 0 EEADMM CCOC(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000821343226 606428519 /nfs/dbraw/zinc/42/85/19/606428519.db2.gz LUSRNOMBIFPLKN-UHFFFAOYSA-N -1 1 348.750 2.297 20 0 EEADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000821719286 606487414 /nfs/dbraw/zinc/48/74/14/606487414.db2.gz AEOSISYXNVFCCI-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000821719286 606487415 /nfs/dbraw/zinc/48/74/15/606487415.db2.gz AEOSISYXNVFCCI-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821422476 606503568 /nfs/dbraw/zinc/50/35/68/606503568.db2.gz WXFAHMCHOCRNRY-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821422476 606503569 /nfs/dbraw/zinc/50/35/69/606503569.db2.gz WXFAHMCHOCRNRY-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM O=C(CCc1ccc(F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983117 606519488 /nfs/dbraw/zinc/51/94/88/606519488.db2.gz KPBYXMHPXZUXMM-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(CCc1ccc(F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983117 606519490 /nfs/dbraw/zinc/51/94/90/606519490.db2.gz KPBYXMHPXZUXMM-UHFFFAOYSA-N -1 1 327.319 2.077 20 0 EEADMM O=C(CCSc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822974580 606532899 /nfs/dbraw/zinc/53/28/99/606532899.db2.gz SIFJHKFPPDXLGV-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(CCSc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822974580 606532901 /nfs/dbraw/zinc/53/29/01/606532901.db2.gz SIFJHKFPPDXLGV-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM Cc1cc(CCCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822199979 606604415 /nfs/dbraw/zinc/60/44/15/606604415.db2.gz PIOMNWYCJNHTNI-UHFFFAOYSA-N -1 1 345.432 2.240 20 0 EEADMM Cc1cc(CCCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)s1 ZINC000822199979 606604417 /nfs/dbraw/zinc/60/44/17/606604417.db2.gz PIOMNWYCJNHTNI-UHFFFAOYSA-N -1 1 345.432 2.240 20 0 EEADMM Cn1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000822595596 606652838 /nfs/dbraw/zinc/65/28/38/606652838.db2.gz AACCLZMEVLEGIV-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Cn1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000822595596 606652839 /nfs/dbraw/zinc/65/28/39/606652839.db2.gz AACCLZMEVLEGIV-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823289245 606697592 /nfs/dbraw/zinc/69/75/92/606697592.db2.gz HCLOVVKISIIKSJ-KBPBESRZSA-N -1 1 335.367 2.390 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822591593 606727635 /nfs/dbraw/zinc/72/76/35/606727635.db2.gz WKQKTVIUFQKJKM-BWZBUEFSSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1-c1nn[n-]n1 ZINC000822591593 606727636 /nfs/dbraw/zinc/72/76/36/606727636.db2.gz WKQKTVIUFQKJKM-BWZBUEFSSA-N -1 1 326.813 2.346 20 0 EEADMM CC(C)CO[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820096834 607044065 /nfs/dbraw/zinc/04/40/65/607044065.db2.gz HLKQNTJQBPCZGD-LBPRGKRZSA-N -1 1 339.403 2.061 20 0 EEADMM CC(C)CO[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820096834 607044067 /nfs/dbraw/zinc/04/40/67/607044067.db2.gz HLKQNTJQBPCZGD-LBPRGKRZSA-N -1 1 339.403 2.061 20 0 EEADMM Cc1ccccc1OC[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826307670 607874346 /nfs/dbraw/zinc/87/43/46/607874346.db2.gz RSVOFMIPRFQCJT-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM Cc1ccccc1OC[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826307670 607874347 /nfs/dbraw/zinc/87/43/47/607874347.db2.gz RSVOFMIPRFQCJT-GFCCVEGCSA-N -1 1 344.346 2.133 20 0 EEADMM O=C1CCCN1Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826480859 607896581 /nfs/dbraw/zinc/89/65/81/607896581.db2.gz VBQWWRCJCVBIKL-UHFFFAOYSA-N -1 1 335.371 2.128 20 0 EEADMM O=C1CCCN1Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826480859 607896582 /nfs/dbraw/zinc/89/65/82/607896582.db2.gz VBQWWRCJCVBIKL-UHFFFAOYSA-N -1 1 335.371 2.128 20 0 EEADMM C[C@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824883641 608195604 /nfs/dbraw/zinc/19/56/04/608195604.db2.gz IFTIIAWWZXWYQT-QWRGUYRKSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824883641 608195605 /nfs/dbraw/zinc/19/56/05/608195605.db2.gz IFTIIAWWZXWYQT-QWRGUYRKSA-N -1 1 325.376 2.037 20 0 EEADMM COc1c(C)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C ZINC000826167181 608320748 /nfs/dbraw/zinc/32/07/48/608320748.db2.gz SPQJCDMJHGJSDB-UHFFFAOYSA-N -1 1 339.355 2.450 20 0 EEADMM O=C(OCc1cc(-c2nn[nH]n2)ccc1F)c1ccc([O-])cc1F ZINC000826464344 608322852 /nfs/dbraw/zinc/32/28/52/608322852.db2.gz SMXXDEJXCRUVKF-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C[C@H]2COC(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130581 608349355 /nfs/dbraw/zinc/34/93/55/608349355.db2.gz NGATVDVHXNOHPN-MRVPVSSYSA-N -1 1 349.416 2.117 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C[C@H]2COC(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130581 608349357 /nfs/dbraw/zinc/34/93/57/608349357.db2.gz NGATVDVHXNOHPN-MRVPVSSYSA-N -1 1 349.416 2.117 20 0 EEADMM CCc1csc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC000825739965 608408019 /nfs/dbraw/zinc/40/80/19/608408019.db2.gz LWBYGDWUKRDKAP-SNVBAGLBSA-N -1 1 342.432 2.060 20 0 EEADMM CCc1csc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC000825739965 608408021 /nfs/dbraw/zinc/40/80/21/608408021.db2.gz LWBYGDWUKRDKAP-SNVBAGLBSA-N -1 1 342.432 2.060 20 0 EEADMM COc1cccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826215643 608408590 /nfs/dbraw/zinc/40/85/90/608408590.db2.gz VIYTUWNUYNCWIE-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826215643 608408591 /nfs/dbraw/zinc/40/85/91/608408591.db2.gz VIYTUWNUYNCWIE-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824136231 608419056 /nfs/dbraw/zinc/41/90/56/608419056.db2.gz NDOKAHAAUDQYJY-AWEZNQCLSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)(C)c1ccc([C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824136231 608419058 /nfs/dbraw/zinc/41/90/58/608419058.db2.gz NDOKAHAAUDQYJY-AWEZNQCLSA-N -1 1 339.403 2.100 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377473 608423636 /nfs/dbraw/zinc/42/36/36/608423636.db2.gz TVAYVWXNOVJCSV-WRWORJQWSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377473 608423638 /nfs/dbraw/zinc/42/36/38/608423638.db2.gz TVAYVWXNOVJCSV-WRWORJQWSA-N -1 1 331.742 2.417 20 0 EEADMM O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826506396 608852240 /nfs/dbraw/zinc/85/22/40/608852240.db2.gz UDEINQZQAGHYTD-HZMBPMFUSA-N -1 1 347.325 2.046 20 0 EEADMM COc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1-c1nn[nH]n1 ZINC000826208114 609180693 /nfs/dbraw/zinc/18/06/93/609180693.db2.gz UCADGKARVSCGCU-UHFFFAOYSA-N -1 1 344.400 2.280 20 0 EEADMM Fc1cccc2c1OCCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377740 609324379 /nfs/dbraw/zinc/32/43/79/609324379.db2.gz DMYGWCVJIVCGIF-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc2c1OCCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377740 609324380 /nfs/dbraw/zinc/32/43/80/609324380.db2.gz DMYGWCVJIVCGIF-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(C/C=C/c3ccccc3)C2)c1[O-] ZINC000969505764 675080700 /nfs/dbraw/zinc/08/07/00/675080700.db2.gz FIGLEFJSBCFPAY-YSKGHYERSA-N -1 1 340.427 2.187 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1ccccc1Cl)c1ncccc1[O-] ZINC001038190679 675998109 /nfs/dbraw/zinc/99/81/09/675998109.db2.gz COTMZXYZOLFYTR-CYBMUJFWSA-N -1 1 331.803 2.445 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCC[C@H](O)C1)c1cc(Cl)cnc1Cl ZINC000866862121 677924849 /nfs/dbraw/zinc/92/48/49/677924849.db2.gz CFLZBZYSVKLWEG-SCZZXKLOSA-N -1 1 339.244 2.218 20 0 EEADMM Cc1cc(C)cc(OCC(=O)N[N-]C(=O)c2cc(F)ccc2F)c1 ZINC000022626470 676764046 /nfs/dbraw/zinc/76/40/46/676764046.db2.gz ULMLYBJWHFSNGD-UHFFFAOYSA-N -1 1 334.322 2.422 20 0 EEADMM CCOc1ccc2cc(C(=O)NN=c3nc(OC)cc[n-]3)[nH]c2c1 ZINC000052582565 679254597 /nfs/dbraw/zinc/25/45/97/679254597.db2.gz UNDSHTGTKQGGGN-UHFFFAOYSA-N -1 1 327.344 2.122 20 0 EEADMM O=C(CN1CCC[C@@H]1c1ccsc1)N[N-]C(=O)c1cccs1 ZINC000052803582 679376374 /nfs/dbraw/zinc/37/63/74/679376374.db2.gz AFGSZWFBLPOIJO-GFCCVEGCSA-N -1 1 335.454 2.408 20 0 EEADMM O=C(NC[C@@H]1CCCCN1CC(F)(F)C(F)F)c1ncccc1[O-] ZINC001024406696 679891238 /nfs/dbraw/zinc/89/12/38/679891238.db2.gz CENDHOGZLNRUFT-JTQLQIEISA-N -1 1 349.328 2.272 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nn1cnc2ccccc21 ZINC000065842311 680063961 /nfs/dbraw/zinc/06/39/61/680063961.db2.gz KSXIMDVFPGJERY-UHFFFAOYSA-N -1 1 344.396 2.182 20 0 EEADMM Cc1cscc1C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000937051520 681202583 /nfs/dbraw/zinc/20/25/83/681202583.db2.gz XZJSPSHCXRCPII-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000937312188 681256219 /nfs/dbraw/zinc/25/62/19/681256219.db2.gz 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O=S(=O)([N-]Cc1ccnnc1)c1cc(Cl)c(Cl)cc1F ZINC001201275680 1368801146 /nfs/dbraw/zinc/80/11/46/1368801146.db2.gz DBXRDHLGZMRATQ-UHFFFAOYSA-N -1 1 336.175 2.401 20 0 EEADMM C[C@@H]1COCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609177255 1351877953 /nfs/dbraw/zinc/87/79/53/1351877953.db2.gz RJEHHKIMFXPVIY-VXNVDRBHSA-N -1 1 328.298 2.117 20 0 EEADMM C[C@@H]1COCC[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609177255 1351877959 /nfs/dbraw/zinc/87/79/59/1351877959.db2.gz RJEHHKIMFXPVIY-VXNVDRBHSA-N -1 1 328.298 2.117 20 0 EEADMM CCCCN(C)C(=O)CSc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609209635 1351892927 /nfs/dbraw/zinc/89/29/27/1351892927.db2.gz SYHJKRDGCDLYJH-UHFFFAOYSA-N -1 1 346.869 2.327 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1cccc(N)c1 ZINC001327095968 1334221049 /nfs/dbraw/zinc/22/10/49/1334221049.db2.gz QYFQKJDPMULIBC-UHFFFAOYSA-N -1 1 328.340 2.034 20 0 EEADMM CCOc1ccc(OCCOc2ccc(F)nc2-c2nn[n-]n2)cc1 ZINC001609245870 1351907353 /nfs/dbraw/zinc/90/73/53/1351907353.db2.gz 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ZINC001328951575 1334555109 /nfs/dbraw/zinc/55/51/09/1334555109.db2.gz FIGWGFCCKYWOPE-LLVKDONJSA-N -1 1 340.339 2.089 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)C12CCC2 ZINC001609313324 1351929779 /nfs/dbraw/zinc/92/97/79/1351929779.db2.gz ICTZRPZOTSDURN-GHMZBOCLSA-N -1 1 334.811 2.309 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)C12CCC2 ZINC001609313324 1351929783 /nfs/dbraw/zinc/92/97/83/1351929783.db2.gz ICTZRPZOTSDURN-GHMZBOCLSA-N -1 1 334.811 2.309 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC2(C)C)c1-c1nn[n-]n1 ZINC001609374115 1351951041 /nfs/dbraw/zinc/95/10/41/1351951041.db2.gz HSHLMFITDNMXTR-NSHDSACASA-N -1 1 344.444 2.389 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CCC1(O)CC1 ZINC001609402888 1351962502 /nfs/dbraw/zinc/96/25/02/1351962502.db2.gz IITSSGZSULFNNT-UHFFFAOYSA-N -1 1 345.790 2.058 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001609427087 1351972163 /nfs/dbraw/zinc/97/21/63/1351972163.db2.gz LAALGQOEOLJROT-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001609427087 1351972167 /nfs/dbraw/zinc/97/21/67/1351972167.db2.gz LAALGQOEOLJROT-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccn(Cc2ncc(-c3ccccc3)o2)c(=O)c1-c1nn[n-]n1 ZINC001609438129 1351976811 /nfs/dbraw/zinc/97/68/11/1351976811.db2.gz RYZLMESZLIUCIN-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Cc1ccccc1-c1noc(COc2cccnc2-c2nnn[n-]2)n1 ZINC001609434766 1351975165 /nfs/dbraw/zinc/97/51/65/1351975165.db2.gz CABPAFIQDPHTHQ-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1ccccc1-c1noc(COc2cccnc2-c2nn[n-]n2)n1 ZINC001609434766 1351975166 /nfs/dbraw/zinc/97/51/66/1351975166.db2.gz CABPAFIQDPHTHQ-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1cnc([C@@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C2CC2)s1 ZINC001609440853 1351978404 /nfs/dbraw/zinc/97/84/04/1351978404.db2.gz FEALZQYEIWYQSC-LBPRGKRZSA-N -1 1 344.400 2.414 20 0 EEADMM Cc1cnc([C@@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C2CC2)s1 ZINC001609440853 1351978405 /nfs/dbraw/zinc/97/84/05/1351978405.db2.gz FEALZQYEIWYQSC-LBPRGKRZSA-N -1 1 344.400 2.414 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1CNc1ncncc1-c1nn[n-]n1 ZINC001609457721 1351984681 /nfs/dbraw/zinc/98/46/81/1351984681.db2.gz RQCLOLDDEFDEIP-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1nsc(NC[C@@]2(O)CCCc3ccccc32)c1-c1nn[n-]n1 ZINC001609466189 1351987701 /nfs/dbraw/zinc/98/77/01/1351987701.db2.gz HPKSQNIAVIILCU-INIZCTEOSA-N -1 1 342.428 2.268 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2ccco2)C1 ZINC001609583101 1352026785 /nfs/dbraw/zinc/02/67/85/1352026785.db2.gz POQZASHMTLPQOU-JTQLQIEISA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2ccco2)C1 ZINC001609583101 1352026787 /nfs/dbraw/zinc/02/67/87/1352026787.db2.gz POQZASHMTLPQOU-JTQLQIEISA-N -1 1 327.319 2.229 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccccc1Oc1ccccc1 ZINC001609604660 1352032731 /nfs/dbraw/zinc/03/27/31/1352032731.db2.gz DWOAPTARQLOQJP-UHFFFAOYSA-N -1 1 346.350 2.264 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001609611776 1352037031 /nfs/dbraw/zinc/03/70/31/1352037031.db2.gz QUXMZCOKUORQRL-ZETCQYMHSA-N -1 1 334.792 2.262 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001609611776 1352037034 /nfs/dbraw/zinc/03/70/34/1352037034.db2.gz QUXMZCOKUORQRL-ZETCQYMHSA-N -1 1 334.792 2.262 20 0 EEADMM c1ccc2c(c1)CO[C@@]21CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001609613304 1352037820 /nfs/dbraw/zinc/03/78/20/1352037820.db2.gz XYKHAEYCGNPUFY-GOSISDBHSA-N -1 1 334.383 2.288 20 0 EEADMM c1ccc2c(c1)CO[C@@]21CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001609613304 1352037824 /nfs/dbraw/zinc/03/78/24/1352037824.db2.gz XYKHAEYCGNPUFY-GOSISDBHSA-N -1 1 334.383 2.288 20 0 EEADMM CC(C)(C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609651280 1352050459 /nfs/dbraw/zinc/05/04/59/1352050459.db2.gz BRHODYARSWKVGP-SNVBAGLBSA-N -1 1 344.289 2.426 20 0 EEADMM C[C@H](CN(Cc1ccccc1)CN1C[C@@H]2CCC[C@H]2C1=O)C(=O)[O-] ZINC001609742549 1352074682 /nfs/dbraw/zinc/07/46/82/1352074682.db2.gz UMBGIHDOFPJUNV-HYVNUMGLSA-N -1 1 330.428 2.425 20 0 EEADMM C[C@@H](NCC(=O)NC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001609771398 1352081147 /nfs/dbraw/zinc/08/11/47/1352081147.db2.gz CRMZYKOSERGIFN-CYBMUJFWSA-N -1 1 334.416 2.250 20 0 EEADMM C[C@@H](Oc1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1)C(=O)[O-] ZINC001609802968 1352089242 /nfs/dbraw/zinc/08/92/42/1352089242.db2.gz NHVSBNYRCQSPGM-AUUYWEPGSA-N -1 1 349.427 2.308 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C[C@H](O)c1ccc(F)c(F)c1 ZINC001609849282 1352100967 /nfs/dbraw/zinc/10/09/67/1352100967.db2.gz BHMHILZGXXNOKL-RQISZKQWSA-N -1 1 341.354 2.093 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1coc2ccc(F)cc21 ZINC001609870351 1352108024 /nfs/dbraw/zinc/10/80/24/1352108024.db2.gz HVGBSWRETFPTKK-LLVKDONJSA-N -1 1 334.347 2.193 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001609891604 1352111991 /nfs/dbraw/zinc/11/19/91/1352111991.db2.gz NBEWFXXKKFLLMI-SSDOTTSWSA-N -1 1 326.150 2.375 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1ccc(N2CCCCC2)nc1)C(=O)[O-] ZINC001609953702 1352128673 /nfs/dbraw/zinc/12/86/73/1352128673.db2.gz REMNDRCPKJQHAL-SFHVURJKSA-N -1 1 348.447 2.243 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(C)C ZINC001348564089 1337560329 /nfs/dbraw/zinc/56/03/29/1337560329.db2.gz VQQUCPPCJJPRDZ-SECBINFHSA-N -1 1 327.233 2.338 20 0 EEADMM CCO[C@H]1C[C@@](NCc2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC001610030393 1352145473 /nfs/dbraw/zinc/14/54/73/1352145473.db2.gz KDDWKVYWOORUFB-MEDUHNTESA-N -1 1 341.429 2.283 20 0 EEADMM C[C@@H]1CN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)c2ccccc21 ZINC001350421417 1337708402 /nfs/dbraw/zinc/70/84/02/1337708402.db2.gz KHJZFVGQGMHCJU-LLVKDONJSA-N -1 1 336.403 2.047 20 0 EEADMM C[C@@H]1CN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)c2ccccc21 ZINC001350421417 1337708405 /nfs/dbraw/zinc/70/84/05/1337708405.db2.gz KHJZFVGQGMHCJU-LLVKDONJSA-N -1 1 336.403 2.047 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)ccc1F ZINC001200550670 1338412327 /nfs/dbraw/zinc/41/23/27/1338412327.db2.gz CLXAZOWYGCZXKC-UHFFFAOYSA-N -1 1 338.316 2.482 20 0 EEADMM COc1ccc([C@@H](C)CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001610319754 1352204790 /nfs/dbraw/zinc/20/47/90/1352204790.db2.gz ZMGINMHXHNUVEU-LSDHHAIUSA-N -1 1 348.443 2.196 20 0 EEADMM O=C([O-])CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC1 ZINC000848599133 1338727547 /nfs/dbraw/zinc/72/75/47/1338727547.db2.gz XDQLBSXAAJTXPV-UHFFFAOYSA-N -1 1 333.356 2.122 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)n1 ZINC001610445310 1352223354 /nfs/dbraw/zinc/22/33/54/1352223354.db2.gz NLWBSXVSJCPBJA-DZGCQCFKSA-N -1 1 330.363 2.480 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)N2CCCC2)o1 ZINC001610492400 1352232508 /nfs/dbraw/zinc/23/25/08/1352232508.db2.gz GLTTWJIGMVVCPT-KFWWJZLASA-N -1 1 349.431 2.230 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC001610701919 1352261753 /nfs/dbraw/zinc/26/17/53/1352261753.db2.gz XFFKQQGPIAXHKU-NSHDSACASA-N -1 1 333.731 2.235 20 0 EEADMM CCCCC(=O)N[C@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001428750914 1339665552 /nfs/dbraw/zinc/66/55/52/1339665552.db2.gz YXQNEYSHPJPZQO-LLVKDONJSA-N -1 1 336.436 2.039 20 0 EEADMM O=C([O-])[C@H]1[C@@H]2CN(Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@@H]21 ZINC001610803679 1352277465 /nfs/dbraw/zinc/27/74/65/1352277465.db2.gz HLYAZARTDQLRBW-HWWDLCQESA-N -1 1 341.386 2.263 20 0 EEADMM O=C([O-])c1ccccc1CCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC001610852064 1352286100 /nfs/dbraw/zinc/28/61/00/1352286100.db2.gz OVWRPWNDDJKZSY-UHFFFAOYSA-N -1 1 340.427 2.350 20 0 EEADMM O=C([O-])c1ccc2c(c1)nc(CSc1nc(C3CC3)n[nH]1)[nH]c2=O ZINC001610841018 1352283519 /nfs/dbraw/zinc/28/35/19/1352283519.db2.gz HFABPVVKLQEJTG-UHFFFAOYSA-N -1 1 343.368 2.321 20 0 EEADMM O=C([O-])c1ccc2c(c1)nc(CSc1n[nH]c(C3CC3)n1)[nH]c2=O ZINC001610841018 1352283522 /nfs/dbraw/zinc/28/35/22/1352283522.db2.gz HFABPVVKLQEJTG-UHFFFAOYSA-N -1 1 343.368 2.321 20 0 EEADMM CCCC1(C(=O)NCCN(CC)C(=O)c2ncccc2[O-])CCC1 ZINC001429667070 1339973759 /nfs/dbraw/zinc/97/37/59/1339973759.db2.gz KMHWIGJCSRVGLO-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCCC1(C(=O)N(C)C[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001430075298 1340114575 /nfs/dbraw/zinc/11/45/75/1340114575.db2.gz QNFWZXUDUOVZHP-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CN(CCNC(=O)C(C)(C)C1CCCC1)C(=O)c1ncccc1[O-] ZINC001431320842 1340548957 /nfs/dbraw/zinc/54/89/57/1340548957.db2.gz PBLVKTKIAZOFFY-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CN(C)C(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)c1nn[n-]n1 ZINC001552148143 1342339175 /nfs/dbraw/zinc/33/91/75/1342339175.db2.gz YEGPOJZMIQDPJF-RBVSLIDWSA-N -1 1 345.369 2.376 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n[nH]1 ZINC001556508942 1342429458 /nfs/dbraw/zinc/42/94/58/1342429458.db2.gz QVSFPEIBAWPHKK-MRVPVSSYSA-N -1 1 346.778 2.149 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1c(F)ccc2ccncc21 ZINC001557724640 1342453914 /nfs/dbraw/zinc/45/39/14/1342453914.db2.gz ZFIIUSAYCHZZIA-INIZCTEOSA-N -1 1 348.341 2.406 20 0 EEADMM C[C@]1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C[C@H]2C[C@H]2C1 ZINC001575779469 1343881502 /nfs/dbraw/zinc/88/15/02/1343881502.db2.gz HVEVLUKWHCCNFJ-RTUWITSCSA-N -1 1 332.433 2.164 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC001577905686 1344212332 /nfs/dbraw/zinc/21/23/32/1344212332.db2.gz XVSKPEBCZBMOOE-LLVKDONJSA-N -1 1 348.321 2.095 20 0 EEADMM CCN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577906051 1344212355 /nfs/dbraw/zinc/21/23/55/1344212355.db2.gz KSUURSYDVJVQGA-UHFFFAOYSA-N -1 1 344.423 2.243 20 0 EEADMM CCN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577906051 1344212357 /nfs/dbraw/zinc/21/23/57/1344212357.db2.gz KSUURSYDVJVQGA-UHFFFAOYSA-N -1 1 344.423 2.243 20 0 EEADMM CCOc1ccccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578404524 1344274027 /nfs/dbraw/zinc/27/40/27/1344274027.db2.gz YGSVZIROARMQHE-UHFFFAOYSA-N -1 1 329.385 2.257 20 0 EEADMM CCOc1ncc(C)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001578410420 1344275530 /nfs/dbraw/zinc/27/55/30/1344275530.db2.gz VJSLKABJNWKTFF-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COC(=O)c1cc(C)ccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579478566 1344386321 /nfs/dbraw/zinc/38/63/21/1344386321.db2.gz NBUHWJOBRHGXJG-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(COc2cccnc2-c2nnn[n-]2)cc1Cl ZINC001579483070 1344388235 /nfs/dbraw/zinc/38/82/35/1344388235.db2.gz XXXMJCPAJANORL-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COC(=O)c1ccc(COc2cccnc2-c2nn[n-]n2)cc1Cl ZINC001579483070 1344388238 /nfs/dbraw/zinc/38/82/38/1344388238.db2.gz XXXMJCPAJANORL-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CO[C@@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001579530505 1344393299 /nfs/dbraw/zinc/39/32/99/1344393299.db2.gz MXUHGQYTYGRMNO-LLVKDONJSA-N -1 1 348.363 2.097 20 0 EEADMM CO[C@@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001579530505 1344393305 /nfs/dbraw/zinc/39/33/05/1344393305.db2.gz MXUHGQYTYGRMNO-LLVKDONJSA-N -1 1 348.363 2.097 20 0 EEADMM COc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001579988699 1344443425 /nfs/dbraw/zinc/44/34/25/1344443425.db2.gz NFETXWHKBCPEAN-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC001579992288 1344445207 /nfs/dbraw/zinc/44/52/07/1344445207.db2.gz IKAWRDJIRQATSU-UHFFFAOYSA-N -1 1 343.412 2.104 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580083121 1344468269 /nfs/dbraw/zinc/46/82/69/1344468269.db2.gz AGNRQCSTDHRVCA-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580083121 1344468271 /nfs/dbraw/zinc/46/82/71/1344468271.db2.gz AGNRQCSTDHRVCA-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ncc(NC(=O)NC[C@@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001580135962 1344478786 /nfs/dbraw/zinc/47/87/86/1344478786.db2.gz HQDCFSMLENLOMQ-SECBINFHSA-N -1 1 333.396 2.074 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ncc1Br ZINC001580985070 1344579231 /nfs/dbraw/zinc/57/92/31/1344579231.db2.gz LTOCAMOPWDUTJS-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1ccc(Br)cc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001581137813 1344591629 /nfs/dbraw/zinc/59/16/29/1344591629.db2.gz IGNABISWIFILRM-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1ccc(Cl)cc1 ZINC001582138348 1344705742 /nfs/dbraw/zinc/70/57/42/1344705742.db2.gz AHKGJRKUPUAXEC-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1ccc(Cl)cc1 ZINC001582138348 1344705746 /nfs/dbraw/zinc/70/57/46/1344705746.db2.gz AHKGJRKUPUAXEC-UHFFFAOYSA-N -1 1 329.747 2.201 20 0 EEADMM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001582338146 1344736539 /nfs/dbraw/zinc/73/65/39/1344736539.db2.gz XWKVXCHKXXLXAP-GXFFZTMASA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCCc1ccc(-c2nn[nH]n2)cc1)c1ccc(Cl)cc1[O-] ZINC001582526489 1344758126 /nfs/dbraw/zinc/75/81/26/1344758126.db2.gz GCHUSUVRTRKUIY-UHFFFAOYSA-N -1 1 343.774 2.198 20 0 EEADMM O=C(Nc1ncc(C(F)(F)F)s1)c1coc(-c2nnn[n-]2)c1 ZINC001582652912 1344778282 /nfs/dbraw/zinc/77/82/82/1344778282.db2.gz CYLNWHVQTAPQES-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM O=C(Nc1ncc(C(F)(F)F)s1)c1coc(-c2nn[n-]n2)c1 ZINC001582652912 1344778285 /nfs/dbraw/zinc/77/82/85/1344778285.db2.gz CYLNWHVQTAPQES-UHFFFAOYSA-N -1 1 330.251 2.187 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1Cl ZINC001588873100 1348940036 /nfs/dbraw/zinc/94/00/36/1348940036.db2.gz FUSFDRNALYJHDA-UHFFFAOYSA-N -1 1 346.734 2.324 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)ccc1Cl ZINC001588873100 1348940040 /nfs/dbraw/zinc/94/00/40/1348940040.db2.gz FUSFDRNALYJHDA-UHFFFAOYSA-N -1 1 346.734 2.324 20 0 EEADMM C[C@@H](C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001588959302 1348950615 /nfs/dbraw/zinc/95/06/15/1348950615.db2.gz CGGUJLXTSSKYFI-NSHDSACASA-N -1 1 348.476 2.259 20 0 EEADMM CC(C)(NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1cccs1 ZINC001589316855 1348983301 /nfs/dbraw/zinc/98/33/01/1348983301.db2.gz DXTNRLKNUVJOKV-UHFFFAOYSA-N -1 1 329.389 2.380 20 0 EEADMM CC(C)(NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1cccs1 ZINC001589316855 1348983302 /nfs/dbraw/zinc/98/33/02/1348983302.db2.gz DXTNRLKNUVJOKV-UHFFFAOYSA-N -1 1 329.389 2.380 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1(C)C ZINC001589370472 1348987056 /nfs/dbraw/zinc/98/70/56/1348987056.db2.gz BKVQMALLUXRXNL-PWSUYJOCSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1(C)C ZINC001589370472 1348987061 /nfs/dbraw/zinc/98/70/61/1348987061.db2.gz BKVQMALLUXRXNL-PWSUYJOCSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)[C@@](C)(Cc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001589430533 1348990148 /nfs/dbraw/zinc/99/01/48/1348990148.db2.gz ZQPAVXHHTAVOCF-QGZVFWFLSA-N -1 1 339.403 2.191 20 0 EEADMM CC(C)COc1ccc(CCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001589648481 1349015627 /nfs/dbraw/zinc/01/56/27/1349015627.db2.gz SYVBGYJDYQFCGH-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001589758719 1349031919 /nfs/dbraw/zinc/03/19/19/1349031919.db2.gz KUKSWUPEKGTMQE-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)c1csc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001589773866 1349036328 /nfs/dbraw/zinc/03/63/28/1349036328.db2.gz SGMPDTSJKIUVNH-UHFFFAOYSA-N -1 1 344.404 2.163 20 0 EEADMM CC(C)c1csc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589773866 1349036331 /nfs/dbraw/zinc/03/63/31/1349036331.db2.gz SGMPDTSJKIUVNH-UHFFFAOYSA-N -1 1 344.404 2.163 20 0 EEADMM CC(C)c1nn(C)cc1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589777870 1349037336 /nfs/dbraw/zinc/03/73/36/1349037336.db2.gz QMCQZFJMIIYERW-UHFFFAOYSA-N -1 1 325.380 2.135 20 0 EEADMM CC(C)c1nn(C)cc1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589777870 1349037339 /nfs/dbraw/zinc/03/73/39/1349037339.db2.gz QMCQZFJMIIYERW-UHFFFAOYSA-N -1 1 325.380 2.135 20 0 EEADMM C[C@@H](C1CC1)N(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589787548 1349043246 /nfs/dbraw/zinc/04/32/46/1349043246.db2.gz UAYJZHZPVOZCTR-YFKPBYRVSA-N -1 1 327.801 2.239 20 0 EEADMM C[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1cccc(Cl)c1 ZINC001589875913 1349054191 /nfs/dbraw/zinc/05/41/91/1349054191.db2.gz LJVVQTBGJHHLNX-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1cccc(Cl)c1 ZINC001589875913 1349054195 /nfs/dbraw/zinc/05/41/95/1349054195.db2.gz LJVVQTBGJHHLNX-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM CC(F)(F)CCCn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001589910301 1349061234 /nfs/dbraw/zinc/06/12/34/1349061234.db2.gz AWBNIQNOBQWVKA-UHFFFAOYSA-N -1 1 337.252 2.483 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC001589948502 1349073664 /nfs/dbraw/zinc/07/36/64/1349073664.db2.gz LNWCORQUJFNWMC-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM C[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC001589948502 1349073667 /nfs/dbraw/zinc/07/36/67/1349073667.db2.gz LNWCORQUJFNWMC-LLVKDONJSA-N -1 1 349.354 2.136 20 0 EEADMM CC1(C)C[C@@]1(CNC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001590087841 1349147988 /nfs/dbraw/zinc/14/79/88/1349147988.db2.gz ZLSXJUSRJYARBJ-LJQANCHMSA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)C[C@@]1(CNC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001590087841 1349147994 /nfs/dbraw/zinc/14/79/94/1349147994.db2.gz ZLSXJUSRJYARBJ-LJQANCHMSA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)CCC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590097827 1349155140 /nfs/dbraw/zinc/15/51/40/1349155140.db2.gz OBKUPFQHBRMIMQ-MRXNPFEDSA-N -1 1 349.460 2.379 20 0 EEADMM CC1(C)CCC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590097827 1349155150 /nfs/dbraw/zinc/15/51/50/1349155150.db2.gz OBKUPFQHBRMIMQ-MRXNPFEDSA-N -1 1 349.460 2.379 20 0 EEADMM C[C@@]1(CNc2cc(Br)cnc2-c2nnn[n-]2)CC1(F)F ZINC001590134418 1349170482 /nfs/dbraw/zinc/17/04/82/1349170482.db2.gz ZIKIMWYMOFBJPL-JTQLQIEISA-N -1 1 345.151 2.481 20 0 EEADMM C[C@@]1(CNc2cc(Br)cnc2-c2nn[n-]n2)CC1(F)F ZINC001590134418 1349170487 /nfs/dbraw/zinc/17/04/87/1349170487.db2.gz ZIKIMWYMOFBJPL-JTQLQIEISA-N -1 1 345.151 2.481 20 0 EEADMM C[C@@]12CCN(c3ccnc(-c4nnn[n-]4)c3)C[C@@H]1C2(Cl)Cl ZINC001590156685 1349178586 /nfs/dbraw/zinc/17/85/86/1349178586.db2.gz OHUSGFXIFALTLF-CMPLNLGQSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@@]12CCN(c3ccnc(-c4nn[n-]n4)c3)C[C@@H]1C2(Cl)Cl ZINC001590156685 1349178590 /nfs/dbraw/zinc/17/85/90/1349178590.db2.gz OHUSGFXIFALTLF-CMPLNLGQSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590242112 1349221511 /nfs/dbraw/zinc/22/15/11/1349221511.db2.gz ZKUUNBNSFLCKTH-DHMWGJHJSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590242112 1349221519 /nfs/dbraw/zinc/22/15/19/1349221519.db2.gz ZKUUNBNSFLCKTH-DHMWGJHJSA-N -1 1 328.420 2.028 20 0 EEADMM C[C@@H]1CCc2nc(CNCc3nc(-c4nnn[n-]4)cs3)sc2C1 ZINC001590284353 1349247356 /nfs/dbraw/zinc/24/73/56/1349247356.db2.gz XYSGSSQIZBXMKQ-MRVPVSSYSA-N -1 1 347.473 2.194 20 0 EEADMM C[C@@H]1CCc2nc(CNCc3nc(-c4nn[n-]n4)cs3)sc2C1 ZINC001590284353 1349247361 /nfs/dbraw/zinc/24/73/61/1349247361.db2.gz XYSGSSQIZBXMKQ-MRVPVSSYSA-N -1 1 347.473 2.194 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1(F)F ZINC001590299350 1349251447 /nfs/dbraw/zinc/25/14/47/1349251447.db2.gz DIEYJLSPFQPUDF-MRVPVSSYSA-N -1 1 325.294 2.123 20 0 EEADMM C[C@@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1(F)F ZINC001590299350 1349251453 /nfs/dbraw/zinc/25/14/53/1349251453.db2.gz DIEYJLSPFQPUDF-MRVPVSSYSA-N -1 1 325.294 2.123 20 0 EEADMM C[C@@H]1CSCCN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001590327350 1349266443 /nfs/dbraw/zinc/26/64/43/1349266443.db2.gz NBVWUZNMFFQDJQ-QMMMGPOBSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@@H]1CSCCN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001590327350 1349266452 /nfs/dbraw/zinc/26/64/52/1349266452.db2.gz NBVWUZNMFFQDJQ-QMMMGPOBSA-N -1 1 344.366 2.470 20 0 EEADMM CC[C@@H](C)CN(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590410290 1349311698 /nfs/dbraw/zinc/31/16/98/1349311698.db2.gz LJPRGJHUGKRAOP-ZCFIWIBFSA-N -1 1 329.817 2.486 20 0 EEADMM CCC(CC)CCCN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590433451 1349322487 /nfs/dbraw/zinc/32/24/87/1349322487.db2.gz RXIWPEHJUJOSLE-UHFFFAOYSA-N -1 1 334.428 2.280 20 0 EEADMM CCC(CC)CCCN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590433451 1349322493 /nfs/dbraw/zinc/32/24/93/1349322493.db2.gz RXIWPEHJUJOSLE-UHFFFAOYSA-N -1 1 334.428 2.280 20 0 EEADMM CCC(CC)n1nc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)cc1C ZINC001590436273 1349324737 /nfs/dbraw/zinc/32/47/37/1349324737.db2.gz KZFDLVBBCOSZNV-UHFFFAOYSA-N -1 1 343.395 2.017 20 0 EEADMM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590452444 1349332498 /nfs/dbraw/zinc/33/24/98/1349332498.db2.gz UAEUOTJUKRGHGG-UHFFFAOYSA-N -1 1 339.350 2.455 20 0 EEADMM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590452444 1349332504 /nfs/dbraw/zinc/33/25/04/1349332504.db2.gz UAEUOTJUKRGHGG-UHFFFAOYSA-N -1 1 339.350 2.455 20 0 EEADMM CCC1(NS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCCC1 ZINC001590497708 1349356373 /nfs/dbraw/zinc/35/63/73/1349356373.db2.gz YVWXXINQMCWGKY-UHFFFAOYSA-N -1 1 341.462 2.070 20 0 EEADMM CCc1nc(NCCCOc2ccccc2C)cc(-c2nnn[n-]2)n1 ZINC001590918929 1349413130 /nfs/dbraw/zinc/41/31/30/1349413130.db2.gz JCPWRRFONDIELL-UHFFFAOYSA-N -1 1 339.403 2.409 20 0 EEADMM CCc1nc(NCCCOc2ccccc2C)cc(-c2nn[n-]n2)n1 ZINC001590918929 1349413135 /nfs/dbraw/zinc/41/31/35/1349413135.db2.gz JCPWRRFONDIELL-UHFFFAOYSA-N -1 1 339.403 2.409 20 0 EEADMM CCc1ncc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)o1 ZINC001590925543 1349413989 /nfs/dbraw/zinc/41/39/89/1349413989.db2.gz UOXVBBCNHFNUCG-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1ncc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)o1 ZINC001590925543 1349413991 /nfs/dbraw/zinc/41/39/91/1349413991.db2.gz UOXVBBCNHFNUCG-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1ncsc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590928338 1349416629 /nfs/dbraw/zinc/41/66/29/1349416629.db2.gz IFNACSDHTAXUQI-UHFFFAOYSA-N -1 1 335.780 2.186 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591336452 1349464059 /nfs/dbraw/zinc/46/40/59/1349464059.db2.gz RMOACBIORCDOCB-PSLIRLAXSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591336452 1349464065 /nfs/dbraw/zinc/46/40/65/1349464065.db2.gz RMOACBIORCDOCB-PSLIRLAXSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1(C)C ZINC001591357901 1349471892 /nfs/dbraw/zinc/47/18/92/1349471892.db2.gz KTPJDDVPFPWSNS-SSDOTTSWSA-N -1 1 328.829 2.228 20 0 EEADMM CO[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1(C)C ZINC001591357901 1349471896 /nfs/dbraw/zinc/47/18/96/1349471896.db2.gz KTPJDDVPFPWSNS-SSDOTTSWSA-N -1 1 328.829 2.228 20 0 EEADMM COCC(C)(C)CCCNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591368928 1349473068 /nfs/dbraw/zinc/47/30/68/1349473068.db2.gz WFELNBKJLVSILS-UHFFFAOYSA-N -1 1 335.383 2.188 20 0 EEADMM COCC(C)(C)CCCNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591368928 1349473077 /nfs/dbraw/zinc/47/30/77/1349473077.db2.gz WFELNBKJLVSILS-UHFFFAOYSA-N -1 1 335.383 2.188 20 0 EEADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccc(C)o1 ZINC001591382882 1349477824 /nfs/dbraw/zinc/47/78/24/1349477824.db2.gz PZFQXZUXBUCOII-GFCCVEGCSA-N -1 1 341.375 2.235 20 0 EEADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccc(C)o1 ZINC001591382882 1349477829 /nfs/dbraw/zinc/47/78/29/1349477829.db2.gz PZFQXZUXBUCOII-GFCCVEGCSA-N -1 1 341.375 2.235 20 0 EEADMM COc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1Cl ZINC001591605272 1349513008 /nfs/dbraw/zinc/51/30/08/1349513008.db2.gz ABMIEYOVPUHNIH-UHFFFAOYSA-N -1 1 329.751 2.026 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC(C)(C)C2)c1-c1nn[n-]n1 ZINC001591716938 1349534415 /nfs/dbraw/zinc/53/44/15/1349534415.db2.gz FCPZAQTYIKEZAY-UHFFFAOYSA-N -1 1 344.444 2.343 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)o3)n[nH]2)s1 ZINC001592073619 1349589121 /nfs/dbraw/zinc/58/91/21/1349589121.db2.gz OROKLRULQMJGOP-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)CC3 ZINC001592197850 1349605590 /nfs/dbraw/zinc/60/55/90/1349605590.db2.gz CBNKUFUHTHYUNL-GFCCVEGCSA-N -1 1 345.410 2.443 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)CC3 ZINC001592197850 1349605595 /nfs/dbraw/zinc/60/55/95/1349605595.db2.gz CBNKUFUHTHYUNL-GFCCVEGCSA-N -1 1 345.410 2.443 20 0 EEADMM Cc1ccc2c(n1)N(C(=O)c1ccsc1-c1nnn[n-]1)CCC2 ZINC001592202944 1349607765 /nfs/dbraw/zinc/60/77/65/1349607765.db2.gz OIRCPSVQILPGCX-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1ccc2c(n1)N(C(=O)c1ccsc1-c1nn[n-]n1)CCC2 ZINC001592202944 1349607771 /nfs/dbraw/zinc/60/77/71/1349607771.db2.gz OIRCPSVQILPGCX-UHFFFAOYSA-N -1 1 326.385 2.225 20 0 EEADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592205773 1349608148 /nfs/dbraw/zinc/60/81/48/1349608148.db2.gz QYSBZLRVLRTNKE-JTQLQIEISA-N -1 1 325.328 2.196 20 0 EEADMM Cc1[nH]nc(NC(=O)CCSc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592328192 1349621856 /nfs/dbraw/zinc/62/18/56/1349621856.db2.gz OLEMDILFHHUOHQ-UHFFFAOYSA-N -1 1 347.379 2.158 20 0 EEADMM Cc1[nH]nc(NC(=O)CC2C3CC4CC(C3)CC2C4)c1-c1nn[n-]n1 ZINC001592328942 1349622287 /nfs/dbraw/zinc/62/22/87/1349622287.db2.gz ZVLSRUOGWOAXGV-UHFFFAOYSA-N -1 1 341.419 2.299 20 0 EEADMM Cc1nc(NCCOc2ccc(Cl)c(F)c2)cc(-c2nnn[n-]2)n1 ZINC001592391752 1349626890 /nfs/dbraw/zinc/62/68/90/1349626890.db2.gz SYIXJZYELBSDCR-UHFFFAOYSA-N -1 1 349.757 2.249 20 0 EEADMM Cc1nc(NCCOc2ccc(Cl)c(F)c2)cc(-c2nn[n-]n2)n1 ZINC001592391752 1349626892 /nfs/dbraw/zinc/62/68/92/1349626892.db2.gz SYIXJZYELBSDCR-UHFFFAOYSA-N -1 1 349.757 2.249 20 0 EEADMM Cc1nsc(N2CC[C@H](Oc3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001592476141 1349635337 /nfs/dbraw/zinc/63/53/37/1349635337.db2.gz AIXTWSHTFZUXGY-LBPRGKRZSA-N -1 1 346.391 2.428 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@H]2CCOC(C)(C)C2)no1 ZINC001592494828 1349637110 /nfs/dbraw/zinc/63/71/10/1349637110.db2.gz FBIPMMRTBDTGIE-VIFPVBQESA-N -1 1 330.348 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@H]2CCOC(C)(C)C2)no1 ZINC001592494828 1349637111 /nfs/dbraw/zinc/63/71/11/1349637111.db2.gz FBIPMMRTBDTGIE-VIFPVBQESA-N -1 1 330.348 2.491 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC001592494944 1349637271 /nfs/dbraw/zinc/63/72/71/1349637271.db2.gz GKQTWFIHLQVVMK-CQSZACIVSA-N -1 1 337.383 2.398 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC001592494944 1349637272 /nfs/dbraw/zinc/63/72/72/1349637272.db2.gz GKQTWFIHLQVVMK-CQSZACIVSA-N -1 1 337.383 2.398 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc2cccnc2c1 ZINC001592501672 1349638011 /nfs/dbraw/zinc/63/80/11/1349638011.db2.gz QXLABQGMOYAGLV-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc2cccnc2c1 ZINC001592501672 1349638012 /nfs/dbraw/zinc/63/80/12/1349638012.db2.gz QXLABQGMOYAGLV-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](C)C1 ZINC001592504653 1349642679 /nfs/dbraw/zinc/64/26/79/1349642679.db2.gz FJFBYWMDNAOQRG-NSHDSACASA-N -1 1 340.387 2.431 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](C)C1 ZINC001592504653 1349642682 /nfs/dbraw/zinc/64/26/82/1349642682.db2.gz FJFBYWMDNAOQRG-NSHDSACASA-N -1 1 340.387 2.431 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCCCC23CCCC3)c1-c1nnn[n-]1 ZINC001592517041 1349644337 /nfs/dbraw/zinc/64/43/37/1349644337.db2.gz FLLJGIKCEZSHNX-ZDUSSCGKSA-N -1 1 344.419 2.325 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCCCC23CCCC3)c1-c1nn[n-]n1 ZINC001592517041 1349644339 /nfs/dbraw/zinc/64/43/39/1349644339.db2.gz FLLJGIKCEZSHNX-ZDUSSCGKSA-N -1 1 344.419 2.325 20 0 EEADMM Clc1nc(NCc2cccc3c2OCO3)sc1-c1nnn[n-]1 ZINC001592539691 1349652740 /nfs/dbraw/zinc/65/27/40/1349652740.db2.gz YMBOVFZEQZPEPA-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM Clc1nc(NCc2cccc3c2OCO3)sc1-c1nn[n-]n1 ZINC001592539691 1349652741 /nfs/dbraw/zinc/65/27/41/1349652741.db2.gz YMBOVFZEQZPEPA-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM Clc1sc(N2CCC[C@H]([C@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592541680 1349653498 /nfs/dbraw/zinc/65/34/98/1349653498.db2.gz KACWZXGPAOVGGM-IUCAKERBSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1sc(N2CCC[C@H]([C@@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC001592541679 1349654057 /nfs/dbraw/zinc/65/40/57/1349654057.db2.gz KACWZXGPAOVGGM-DTWKUNHWSA-N -1 1 340.840 2.230 20 0 EEADMM Cn1cc(-c2cccc(NCc3csc(-c4nn[n-]n4)c3)c2)nn1 ZINC001592558788 1349657543 /nfs/dbraw/zinc/65/75/43/1349657543.db2.gz YXRUMLMJCSEKQE-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM Cn1cc(NCc2nc(-c3nnn[n-]3)cs2)c(-c2ccccc2)n1 ZINC001592574860 1349660976 /nfs/dbraw/zinc/66/09/76/1349660976.db2.gz PXCZGVBKIJOEGM-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM Cn1cc(NCc2nc(-c3nn[n-]n3)cs2)c(-c2ccccc2)n1 ZINC001592574860 1349660978 /nfs/dbraw/zinc/66/09/78/1349660978.db2.gz PXCZGVBKIJOEGM-UHFFFAOYSA-N -1 1 338.400 2.336 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592619934 1349675088 /nfs/dbraw/zinc/67/50/88/1349675088.db2.gz MTVHXZDOXMJKLR-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592619934 1349675093 /nfs/dbraw/zinc/67/50/93/1349675093.db2.gz MTVHXZDOXMJKLR-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001592622159 1349676467 /nfs/dbraw/zinc/67/64/67/1349676467.db2.gz SAHRWBMZFFLYFP-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001592622159 1349676470 /nfs/dbraw/zinc/67/64/70/1349676470.db2.gz SAHRWBMZFFLYFP-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1sccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592625238 1349677703 /nfs/dbraw/zinc/67/77/03/1349677703.db2.gz TZJWEXMWQIEJNG-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1sccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592625238 1349677708 /nfs/dbraw/zinc/67/77/08/1349677708.db2.gz TZJWEXMWQIEJNG-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592648210 1349692553 /nfs/dbraw/zinc/69/25/53/1349692553.db2.gz CYAMLBKMDNJWPT-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592648210 1349692557 /nfs/dbraw/zinc/69/25/57/1349692557.db2.gz CYAMLBKMDNJWPT-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001592647544 1349692776 /nfs/dbraw/zinc/69/27/76/1349692776.db2.gz SWSWOKDZTQDFNS-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001592647544 1349692778 /nfs/dbraw/zinc/69/27/78/1349692778.db2.gz SWSWOKDZTQDFNS-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1cccc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC001592654198 1349699199 /nfs/dbraw/zinc/69/91/99/1349699199.db2.gz FIFRKQJQUJBKSK-MRXNPFEDSA-N -1 1 347.357 2.419 20 0 EEADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592950387 1349729739 /nfs/dbraw/zinc/72/97/39/1349729739.db2.gz XBKDSXZDICFJSP-LBPRGKRZSA-N -1 1 332.795 2.224 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593065229 1349735608 /nfs/dbraw/zinc/73/56/08/1349735608.db2.gz BVMDYCMPODAXIU-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593065229 1349735616 /nfs/dbraw/zinc/73/56/16/1349735616.db2.gz BVMDYCMPODAXIU-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NCc1cccc2ccccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001593144253 1349741933 /nfs/dbraw/zinc/74/19/33/1349741933.db2.gz REXDGAIWYIDQPC-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1cccc2ccccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001593144253 1349741937 /nfs/dbraw/zinc/74/19/37/1349741937.db2.gz REXDGAIWYIDQPC-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(O)c2ccccc2c1 ZINC001593146528 1349741982 /nfs/dbraw/zinc/74/19/82/1349741982.db2.gz RMZPTVYBEXPSJP-UHFFFAOYSA-N -1 1 346.350 2.051 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCCCC1(F)F ZINC001593195443 1349744600 /nfs/dbraw/zinc/74/46/00/1349744600.db2.gz CJFVHYDIEXSJHO-MRVPVSSYSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(Nc1cccc2nsnc21)c1ccsc1-c1nnn[n-]1 ZINC001593250942 1349750687 /nfs/dbraw/zinc/75/06/87/1349750687.db2.gz MWFGOEANXCDVAS-UHFFFAOYSA-N -1 1 329.370 2.185 20 0 EEADMM O=C(Nc1cccc2nsnc21)c1ccsc1-c1nn[n-]n1 ZINC001593250942 1349750690 /nfs/dbraw/zinc/75/06/90/1349750690.db2.gz MWFGOEANXCDVAS-UHFFFAOYSA-N -1 1 329.370 2.185 20 0 EEADMM O=C(OCCN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593290683 1349767301 /nfs/dbraw/zinc/76/73/01/1349767301.db2.gz VKIDCLVCNFRUGH-UHFFFAOYSA-N -1 1 339.355 2.069 20 0 EEADMM O=C(OCc1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001593300356 1349773016 /nfs/dbraw/zinc/77/30/16/1349773016.db2.gz DTBDNUKMHWDUJW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001593300356 1349773018 /nfs/dbraw/zinc/77/30/18/1349773018.db2.gz DTBDNUKMHWDUJW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1csc(Cl)n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593305557 1349775655 /nfs/dbraw/zinc/77/56/55/1349775655.db2.gz URMHRHDEVWCDAY-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(OCc1csc(Cl)n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593305557 1349775661 /nfs/dbraw/zinc/77/56/61/1349775661.db2.gz URMHRHDEVWCDAY-UHFFFAOYSA-N -1 1 339.739 2.473 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC=C(c2ccco2)C1 ZINC001593338061 1349783815 /nfs/dbraw/zinc/78/38/15/1349783815.db2.gz IWJFXKWWRQUSAM-UHFFFAOYSA-N -1 1 327.369 2.451 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC=C(c2ccco2)C1 ZINC001593338061 1349783818 /nfs/dbraw/zinc/78/38/18/1349783818.db2.gz IWJFXKWWRQUSAM-UHFFFAOYSA-N -1 1 327.369 2.451 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccsc2C1 ZINC001593349734 1349788011 /nfs/dbraw/zinc/78/80/11/1349788011.db2.gz DLSIHFHPIPJAJF-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccsc2C1 ZINC001593349734 1349788016 /nfs/dbraw/zinc/78/80/16/1349788016.db2.gz DLSIHFHPIPJAJF-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC001593369225 1349791519 /nfs/dbraw/zinc/79/15/19/1349791519.db2.gz FYFGGAYDZDSMLY-CQSZACIVSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC001593369225 1349791521 /nfs/dbraw/zinc/79/15/21/1349791521.db2.gz FYFGGAYDZDSMLY-CQSZACIVSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1COCC[C@@H]1c1ccccc1 ZINC001593370170 1349791871 /nfs/dbraw/zinc/79/18/71/1349791871.db2.gz KEEGNZWCTWXNIE-CYBMUJFWSA-N -1 1 341.396 2.490 20 0 EEADMM O=Cc1cc(Oc2ncncc2-c2nnn[n-]2)ccc1Br ZINC001593416419 1349798554 /nfs/dbraw/zinc/79/85/54/1349798554.db2.gz YZHWRDPVNCTVBG-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cc(Oc2ncncc2-c2nn[n-]n2)ccc1Br ZINC001593416419 1349798556 /nfs/dbraw/zinc/79/85/56/1349798556.db2.gz YZHWRDPVNCTVBG-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O[C@H](CNc1cc(-c2nnn[n-]2)ncn1)c1cc2ccccc2s1 ZINC001593506296 1349823720 /nfs/dbraw/zinc/82/37/20/1349823720.db2.gz IQDMMQNERLXDEA-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM O[C@H](CNc1cc(-c2nn[n-]n2)ncn1)c1cc2ccccc2s1 ZINC001593506296 1349823724 /nfs/dbraw/zinc/82/37/24/1349823724.db2.gz IQDMMQNERLXDEA-LLVKDONJSA-N -1 1 339.384 2.017 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CSCc1nnc2n1CCCCC2 ZINC001593551148 1349845015 /nfs/dbraw/zinc/84/50/15/1349845015.db2.gz INMVGQZPOPFTQC-UHFFFAOYSA-N -1 1 331.405 2.211 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CSCc1nnc2n1CCCCC2 ZINC001593551148 1349845019 /nfs/dbraw/zinc/84/50/19/1349845019.db2.gz INMVGQZPOPFTQC-UHFFFAOYSA-N -1 1 331.405 2.211 20 0 EEADMM c1noc(C2CC2)c1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001593568063 1349853587 /nfs/dbraw/zinc/85/35/87/1349853587.db2.gz NLMBGVSOOWETDK-UHFFFAOYSA-N -1 1 334.343 2.039 20 0 EEADMM c1ccc(-c2cncnc2NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593568706 1349854481 /nfs/dbraw/zinc/85/44/81/1349854481.db2.gz XZOHJMVLDNQDNR-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cncnc2NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593568706 1349854483 /nfs/dbraw/zinc/85/44/83/1349854483.db2.gz XZOHJMVLDNQDNR-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)c2cccnc2)cc1 ZINC001593571185 1349856281 /nfs/dbraw/zinc/85/62/81/1349856281.db2.gz RCKBRUXXRSFFLO-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)c2cccnc2)cc1 ZINC001593571185 1349856287 /nfs/dbraw/zinc/85/62/87/1349856287.db2.gz RCKBRUXXRSFFLO-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001593576914 1349859231 /nfs/dbraw/zinc/85/92/31/1349859231.db2.gz TVATWDAKUPNZCO-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc(OC2C[C@H]3CC[C@@H](C2)N3c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001593576914 1349859236 /nfs/dbraw/zinc/85/92/36/1349859236.db2.gz TVATWDAKUPNZCO-NNQSOWQGSA-N -1 1 349.398 2.236 20 0 EEADMM c1ccc2c(c1)CC[C@@]1(CCN(c3cccnc3-c3nnn[n-]3)C1)O2 ZINC001593581812 1349863159 /nfs/dbraw/zinc/86/31/59/1349863159.db2.gz WJFGYQHLOXIPFH-SFHVURJKSA-N -1 1 334.383 2.236 20 0 EEADMM c1ccc2c(c1)CC[C@@]1(CCN(c3cccnc3-c3nn[n-]n3)C1)O2 ZINC001593581812 1349863165 /nfs/dbraw/zinc/86/31/65/1349863165.db2.gz WJFGYQHLOXIPFH-SFHVURJKSA-N -1 1 334.383 2.236 20 0 EEADMM Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@](C)(C(=O)[O-])C3)c2C)no1 ZINC001600062929 1349964237 /nfs/dbraw/zinc/96/42/37/1349964237.db2.gz WNIZEONVVKHQDV-SFHVURJKSA-N -1 1 345.399 2.370 20 0 EEADMM Cc1cc(CN2CCN(CCc3cccs3)CC2)[nH]c1C(=O)[O-] ZINC001600196185 1349990542 /nfs/dbraw/zinc/99/05/42/1349990542.db2.gz TYIBICZJLKGWOO-UHFFFAOYSA-N -1 1 333.457 2.443 20 0 EEADMM Cc1cc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)[nH]c1C(=O)[O-] ZINC001600203720 1349992410 /nfs/dbraw/zinc/99/24/10/1349992410.db2.gz TYNGOAJNPRNKMC-OLZOCXBDSA-N -1 1 341.411 2.477 20 0 EEADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)nc(N2CCCC2)n1 ZINC001600204538 1349992547 /nfs/dbraw/zinc/99/25/47/1349992547.db2.gz HVMMXBURRWFTFW-INIZCTEOSA-N -1 1 344.390 2.440 20 0 EEADMM Cc1cc(NC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc(C(=O)[O-])c1 ZINC001600261950 1350005329 /nfs/dbraw/zinc/00/53/29/1350005329.db2.gz LBUWTYJXOCFDLA-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc(NC(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c(Cl)c1 ZINC001600448735 1350054134 /nfs/dbraw/zinc/05/41/34/1350054134.db2.gz OMJDHMWCFZPNAU-FZMZJTMJSA-N -1 1 340.807 2.199 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001600667479 1350113633 /nfs/dbraw/zinc/11/36/33/1350113633.db2.gz WDWMRXMJRVJZHH-UHFFFAOYSA-N -1 1 345.355 2.335 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600687942 1350116534 /nfs/dbraw/zinc/11/65/34/1350116534.db2.gz MHJDUQQUFGZCFK-ZDUSSCGKSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3C[C@H](O)C34CCC4)c12 ZINC001600714813 1350119911 /nfs/dbraw/zinc/11/99/11/1350119911.db2.gz QCLKPNTYIYJBQT-ZJUUUORDSA-N -1 1 333.413 2.144 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3ncccc3c2)cc1C(=O)[O-] ZINC001600747208 1350127177 /nfs/dbraw/zinc/12/71/77/1350127177.db2.gz PDUWAJYILCKFCH-UHFFFAOYSA-N -1 1 343.364 2.437 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001600792665 1350138649 /nfs/dbraw/zinc/13/86/49/1350138649.db2.gz QKRLQTVDODQOPW-MFKMUULPSA-N -1 1 345.403 2.325 20 0 EEADMM Cc1sc([C@H]2CCCN2CCCN2CCOCC2)nc1C(=O)[O-] ZINC001600881827 1350159196 /nfs/dbraw/zinc/15/91/96/1350159196.db2.gz AVUSBBBFTOHZEM-CYBMUJFWSA-N -1 1 339.461 2.009 20 0 EEADMM Cn1c(CN2CCC(OC[C@@H]3CCCCO3)CC2)ccc1C(=O)[O-] ZINC001600913628 1350166390 /nfs/dbraw/zinc/16/63/90/1350166390.db2.gz JRNRUXWQRWOHPF-INIZCTEOSA-N -1 1 336.432 2.273 20 0 EEADMM Cn1cc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c(C2CC2)n1 ZINC001600953713 1350176264 /nfs/dbraw/zinc/17/62/64/1350176264.db2.gz WVTIGVLOFDLFAH-CMPLNLGQSA-N -1 1 331.338 2.383 20 0 EEADMM N[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001601172220 1350224713 /nfs/dbraw/zinc/22/47/13/1350224713.db2.gz PZSXOLCJBBJXBA-BXUZGUMPSA-N -1 1 344.333 2.322 20 0 EEADMM O=C([O-])c1coc(/C=C\C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC001601234602 1350238158 /nfs/dbraw/zinc/23/81/58/1350238158.db2.gz XHRAWFVBVRLFNL-WLMCBFPDSA-N -1 1 340.379 2.382 20 0 EEADMM O=C([O-])[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC001601326294 1350258119 /nfs/dbraw/zinc/25/81/19/1350258119.db2.gz VKUWIGMVNRZZKA-LBPRGKRZSA-N -1 1 330.356 2.393 20 0 EEADMM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001601408173 1350277200 /nfs/dbraw/zinc/27/72/00/1350277200.db2.gz BZLKUTIYIQVIHI-KCJUWKMLSA-N -1 1 347.289 2.163 20 0 EEADMM O=C([O-])C1(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)CC1 ZINC001601717408 1350347103 /nfs/dbraw/zinc/34/71/03/1350347103.db2.gz QDCOMZNVADYSLK-UHFFFAOYSA-N -1 1 333.369 2.200 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc3ccoc31)C[C@H]2C(=O)[O-] ZINC001601779286 1350362603 /nfs/dbraw/zinc/36/26/03/1350362603.db2.gz GIDBLJZEXMJUEI-FVRSWCFKSA-N -1 1 329.352 2.430 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cn3ccccc3n2)[C@H]([C@@H]2CCCO2)C1 ZINC001601828480 1350374904 /nfs/dbraw/zinc/37/49/04/1350374904.db2.gz ZURKZWCXLHKFMF-KBMXLJTQSA-N -1 1 329.400 2.179 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCCN[C@@H](CCO)c2ccco2)cc1 ZINC001601882672 1350389896 /nfs/dbraw/zinc/38/98/96/1350389896.db2.gz HSUDPXIDHHSVLQ-WHWKNOJMSA-N -1 1 331.368 2.470 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1cc(Br)cc(F)c1O)C1CC1 ZINC001601903578 1350393890 /nfs/dbraw/zinc/39/38/90/1350393890.db2.gz CRKWUBGEMLXJFE-SNVBAGLBSA-N -1 1 346.152 2.277 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1O ZINC001601967466 1350407072 /nfs/dbraw/zinc/40/70/72/1350407072.db2.gz FCRHYAPBMDTDMW-MRVPVSSYSA-N -1 1 349.330 2.443 20 0 EEADMM O=C([O-])CCCONC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001601996022 1350413825 /nfs/dbraw/zinc/41/38/25/1350413825.db2.gz YSIPVFADCMGWQQ-GFCCVEGCSA-N -1 1 342.189 2.392 20 0 EEADMM O=C([O-])CCN(Cc1cccc(Br)n1)C[C@@H]1CCCO1 ZINC001602007840 1350417131 /nfs/dbraw/zinc/41/71/31/1350417131.db2.gz ZVQHOSVKXHNRDU-LBPRGKRZSA-N -1 1 343.221 2.300 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cccc3c[nH]nc32)C1 ZINC001602217403 1350468580 /nfs/dbraw/zinc/46/85/80/1350468580.db2.gz GCRCXFVOTGUAIS-VHSXEESVSA-N -1 1 341.289 2.288 20 0 EEADMM O=C([O-])c1c[nH]c(CN2CCC(N3CCOC3=O)CC2)c1C1CC1 ZINC001602233186 1350472036 /nfs/dbraw/zinc/47/20/36/1350472036.db2.gz HKLOYMHGIPIXHN-UHFFFAOYSA-N -1 1 333.388 2.007 20 0 EEADMM O=C([O-])c1cc(F)cc(S(=O)(=O)NCCCC(F)(F)F)c1F ZINC001602273263 1350482981 /nfs/dbraw/zinc/48/29/81/1350482981.db2.gz JBEGKGRBVWBTPP-UHFFFAOYSA-N -1 1 347.261 2.284 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2ccn(-c3ccncc3)n2)c(F)c1 ZINC001602343779 1350499731 /nfs/dbraw/zinc/49/97/31/1350499731.db2.gz GHLMMIRIPWOACT-UHFFFAOYSA-N -1 1 340.314 2.035 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@@H]3COc4ccccc4O3)[nH]c21 ZINC001602454539 1350522700 /nfs/dbraw/zinc/52/27/00/1350522700.db2.gz PCBULIZPOBLGIW-ZDUSSCGKSA-N -1 1 339.307 2.040 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(Cc3cc4cc(Cl)cnc4o3)C2)nn1 ZINC001602499766 1350533147 /nfs/dbraw/zinc/53/31/47/1350533147.db2.gz SROJEEFVZGHTFA-LLVKDONJSA-N -1 1 347.762 2.218 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001603060456 1350629785 /nfs/dbraw/zinc/62/97/85/1350629785.db2.gz HSMOVIBLYIYPDZ-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001603060456 1350629791 /nfs/dbraw/zinc/62/97/91/1350629791.db2.gz HSMOVIBLYIYPDZ-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001603101245 1350639741 /nfs/dbraw/zinc/63/97/41/1350639741.db2.gz NWPDNACHFVJLPO-UHFFFAOYSA-N -1 1 333.392 2.316 20 0 EEADMM CC(C)(C)OC1CCC(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001603101245 1350639750 /nfs/dbraw/zinc/63/97/50/1350639750.db2.gz NWPDNACHFVJLPO-UHFFFAOYSA-N -1 1 333.392 2.316 20 0 EEADMM CC(C)(C)OCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001603102223 1350640432 /nfs/dbraw/zinc/64/04/32/1350640432.db2.gz KDRSEQQVXDCNQC-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CC(C)(C)OCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001603102223 1350640435 /nfs/dbraw/zinc/64/04/35/1350640435.db2.gz KDRSEQQVXDCNQC-UHFFFAOYSA-N -1 1 327.392 2.427 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC12CCCC2 ZINC001603249207 1350671581 /nfs/dbraw/zinc/67/15/81/1350671581.db2.gz ICNZDFGMAHGDFB-INIZCTEOSA-N -1 1 340.431 2.231 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC12CCCC2 ZINC001603249207 1350671584 /nfs/dbraw/zinc/67/15/84/1350671584.db2.gz ICNZDFGMAHGDFB-INIZCTEOSA-N -1 1 340.431 2.231 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603269922 1350675773 /nfs/dbraw/zinc/67/57/73/1350675773.db2.gz GNJIRODPMOGTTK-RYUDHWBXSA-N -1 1 335.433 2.252 20 0 EEADMM CC1(C)CCC[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603773594 1350763896 /nfs/dbraw/zinc/76/38/96/1350763896.db2.gz GHZCOEORYUBFNH-CYBMUJFWSA-N -1 1 328.420 2.137 20 0 EEADMM CC1(C)CCC[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603773594 1350763899 /nfs/dbraw/zinc/76/38/99/1350763899.db2.gz GHZCOEORYUBFNH-CYBMUJFWSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603844477 1350780564 /nfs/dbraw/zinc/78/05/64/1350780564.db2.gz FMTIXXWSSIDGRP-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603844477 1350780566 /nfs/dbraw/zinc/78/05/66/1350780566.db2.gz FMTIXXWSSIDGRP-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM CC(C)Cn1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001603859692 1350785293 /nfs/dbraw/zinc/78/52/93/1350785293.db2.gz KQOYVVVMJFEIQP-UHFFFAOYSA-N -1 1 327.344 2.366 20 0 EEADMM CC1CCC(N(C)C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603877984 1350789949 /nfs/dbraw/zinc/78/99/49/1350789949.db2.gz GBZTYUMPOYKDRR-UHFFFAOYSA-N -1 1 335.437 2.043 20 0 EEADMM CC1CCC(N(C)C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603877984 1350789951 /nfs/dbraw/zinc/78/99/51/1350789951.db2.gz GBZTYUMPOYKDRR-UHFFFAOYSA-N -1 1 335.437 2.043 20 0 EEADMM CCC(CC)[C@@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)OC ZINC001604022592 1350832502 /nfs/dbraw/zinc/83/25/02/1350832502.db2.gz GILKFVXXYRSMNB-CYBMUJFWSA-N -1 1 347.423 2.225 20 0 EEADMM CCC(CC)[C@@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)OC ZINC001604022592 1350832506 /nfs/dbraw/zinc/83/25/06/1350832506.db2.gz GILKFVXXYRSMNB-CYBMUJFWSA-N -1 1 347.423 2.225 20 0 EEADMM CC[C@@H]1CCN1C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001604108561 1350859936 /nfs/dbraw/zinc/85/99/36/1350859936.db2.gz OCKIYZKDYDNMIN-SNVBAGLBSA-N -1 1 344.444 2.486 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2[nH]ccc2-c2ccccc2)CC1 ZINC001604113900 1350862623 /nfs/dbraw/zinc/86/26/23/1350862623.db2.gz MNVLQLUZOLNKMQ-AWEZNQCLSA-N -1 1 341.411 2.303 20 0 EEADMM CCC[C@@H]1CCCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001604151862 1350875167 /nfs/dbraw/zinc/87/51/67/1350875167.db2.gz AFGKVKZWOWNBDC-LLVKDONJSA-N -1 1 345.407 2.314 20 0 EEADMM CCCCCC(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001604168770 1350881449 /nfs/dbraw/zinc/88/14/49/1350881449.db2.gz ISRQRAPOSKVMIB-SREVYHEPSA-N -1 1 349.464 2.296 20 0 EEADMM CCCCS[C@@H](C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001604190132 1350888727 /nfs/dbraw/zinc/88/87/27/1350888727.db2.gz NGTUIILZKVHJMR-QMMMGPOBSA-N -1 1 327.435 2.288 20 0 EEADMM CCCCS[C@@H](C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001604190132 1350888731 /nfs/dbraw/zinc/88/87/31/1350888731.db2.gz NGTUIILZKVHJMR-QMMMGPOBSA-N -1 1 327.435 2.288 20 0 EEADMM C[C@H](Oc1ccccc1CN1CCC(N2CCCC2=O)CC1)C(=O)[O-] ZINC001604442607 1350938324 /nfs/dbraw/zinc/93/83/24/1350938324.db2.gz DYONNQXXKJOSQN-AWEZNQCLSA-N -1 1 346.427 2.125 20 0 EEADMM CCOc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001604462987 1350943116 /nfs/dbraw/zinc/94/31/16/1350943116.db2.gz JBPKDQXHRIMANY-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCOc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001604462987 1350943117 /nfs/dbraw/zinc/94/31/17/1350943117.db2.gz JBPKDQXHRIMANY-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001604476881 1350946022 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/nfs/dbraw/zinc/05/04/58/1351050458.db2.gz SZOCDLCXPPFRSL-SSDOTTSWSA-N -1 1 337.434 2.408 20 0 EEADMM CO[C@@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CCCCC1 ZINC001605011896 1351054358 /nfs/dbraw/zinc/05/43/58/1351054358.db2.gz GMVVEJMVTCAMFW-HNNXBMFYSA-N -1 1 343.431 2.112 20 0 EEADMM CCC1CCC(NCC(=O)N2C[C@H](C)OC(C)(C)C2)(C(=O)[O-])CC1 ZINC001605157720 1351090727 /nfs/dbraw/zinc/09/07/27/1351090727.db2.gz YFVMGMBTYOERBW-VNSJNIRKSA-N -1 1 340.464 2.026 20 0 EEADMM COc1cc(NCc2cccc(-c3nnn[n-]3)n2)cc2cccnc21 ZINC001605230825 1351109988 /nfs/dbraw/zinc/10/99/88/1351109988.db2.gz IOJIKUIHYCPQHT-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1cc(NCc2cccc(-c3nn[n-]n3)n2)cc2cccnc21 ZINC001605230825 1351109991 /nfs/dbraw/zinc/10/99/91/1351109991.db2.gz IOJIKUIHYCPQHT-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CCCCCCNC(=O)[C@@H]1CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605269842 1351121361 /nfs/dbraw/zinc/12/13/61/1351121361.db2.gz YQTSENALMXJRHV-CQSZACIVSA-N -1 1 348.447 2.083 20 0 EEADMM COc1ccc2c(c1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001605309357 1351132868 /nfs/dbraw/zinc/13/28/68/1351132868.db2.gz RCZKZYQGAJJANM-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM COc1ccc2c(c1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001605309357 1351132870 /nfs/dbraw/zinc/13/28/70/1351132870.db2.gz RCZKZYQGAJJANM-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001605313113 1351133545 /nfs/dbraw/zinc/13/35/45/1351133545.db2.gz PKBFHFWCLJRVFF-SECBINFHSA-N -1 1 327.344 2.268 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001605313113 1351133548 /nfs/dbraw/zinc/13/35/48/1351133548.db2.gz PKBFHFWCLJRVFF-SECBINFHSA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001605332140 1351138746 /nfs/dbraw/zinc/13/87/46/1351138746.db2.gz PTQMWFIWFZSXTL-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM COc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001605332140 1351138749 /nfs/dbraw/zinc/13/87/49/1351138749.db2.gz PTQMWFIWFZSXTL-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM CSc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605382537 1351149472 /nfs/dbraw/zinc/14/94/72/1351149472.db2.gz YNLDZQCVOIPNDV-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CSc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605382537 1351149473 /nfs/dbraw/zinc/14/94/73/1351149473.db2.gz YNLDZQCVOIPNDV-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CCN(CCCNC(C)(C)c1cc(C(=O)[O-])on1)CC(F)(F)F ZINC001605446832 1351159345 /nfs/dbraw/zinc/15/93/45/1351159345.db2.gz IYHWKANPLVHRMU-UHFFFAOYSA-N -1 1 337.342 2.472 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001605563482 1351190862 /nfs/dbraw/zinc/19/08/62/1351190862.db2.gz WTKKLONRVIWFEH-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC001605563482 1351190863 /nfs/dbraw/zinc/19/08/63/1351190863.db2.gz WTKKLONRVIWFEH-HNNXBMFYSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2COc3ccc(Cl)cc32)n1 ZINC001605573455 1351192347 /nfs/dbraw/zinc/19/23/47/1351192347.db2.gz WFYOQSAZYOVYDQ-NSHDSACASA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2COc3ccc(Cl)cc32)n1 ZINC001605573455 1351192350 /nfs/dbraw/zinc/19/23/50/1351192350.db2.gz WFYOQSAZYOVYDQ-NSHDSACASA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H](C)Oc2ccccc2Cl)n1 ZINC001605575366 1351192455 /nfs/dbraw/zinc/19/24/55/1351192455.db2.gz NBODXSFLRCGAIL-SNVBAGLBSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H](C)Oc2ccccc2Cl)n1 ZINC001605575366 1351192456 /nfs/dbraw/zinc/19/24/56/1351192456.db2.gz NBODXSFLRCGAIL-SNVBAGLBSA-N -1 1 345.794 2.498 20 0 EEADMM Cc1ccc(CCCNC(=O)c2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001605843982 1351234386 /nfs/dbraw/zinc/23/43/86/1351234386.db2.gz QWUPBQBKVOCAIK-UHFFFAOYSA-N -1 1 336.399 2.241 20 0 EEADMM Cc1ccc(CCCNC(=O)c2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001605843982 1351234389 /nfs/dbraw/zinc/23/43/89/1351234389.db2.gz QWUPBQBKVOCAIK-UHFFFAOYSA-N -1 1 336.399 2.241 20 0 EEADMM CCc1nc(CNC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)n[nH]1 ZINC001605850355 1351235803 /nfs/dbraw/zinc/23/58/03/1351235803.db2.gz IRHJNJIDKOPXOV-UHFFFAOYSA-N -1 1 335.389 2.109 20 0 EEADMM Cc1ccc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)n1 ZINC001605858581 1351239021 /nfs/dbraw/zinc/23/90/21/1351239021.db2.gz GDFFHNNGQGRKBL-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1ccc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)n1 ZINC001605858581 1351239024 /nfs/dbraw/zinc/23/90/24/1351239024.db2.gz GDFFHNNGQGRKBL-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC001606165132 1351279963 /nfs/dbraw/zinc/27/99/63/1351279963.db2.gz NGCNHNJCOLGDRH-UHFFFAOYSA-N -1 1 332.751 2.089 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC001606165132 1351279966 /nfs/dbraw/zinc/27/99/66/1351279966.db2.gz NGCNHNJCOLGDRH-UHFFFAOYSA-N -1 1 332.751 2.089 20 0 EEADMM Clc1cc2c(cc1NCc1nc(-c3nnn[n-]3)cs1)OCO2 ZINC001606188934 1351283523 /nfs/dbraw/zinc/28/35/23/1351283523.db2.gz IWEFOJADXVQIAA-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM Clc1cc2c(cc1NCc1nc(-c3nn[n-]n3)cs1)OCO2 ZINC001606188934 1351283525 /nfs/dbraw/zinc/28/35/25/1351283525.db2.gz IWEFOJADXVQIAA-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM COC(=O)C[C@@]1(NCc2cccc(C(=O)[O-])c2Cl)CCCOC1 ZINC001606445632 1351303300 /nfs/dbraw/zinc/30/33/00/1351303300.db2.gz PISXLSMBVJESKR-INIZCTEOSA-N -1 1 341.791 2.240 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1cccnc1-c1nnn[n-]1 ZINC001606487222 1351310595 /nfs/dbraw/zinc/31/05/95/1351310595.db2.gz JZBIYQDEBZOLNI-ONEGZZNKSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccnc(Cl)c1)OCc1cccnc1-c1nn[n-]n1 ZINC001606487222 1351310597 /nfs/dbraw/zinc/31/05/97/1351310597.db2.gz JZBIYQDEBZOLNI-ONEGZZNKSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1cccnc1Cl ZINC001606585003 1351326549 /nfs/dbraw/zinc/32/65/49/1351326549.db2.gz MTKMFPUVWBRZHO-UHFFFAOYSA-N -1 1 347.791 2.041 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1cccnc1Cl ZINC001606585003 1351326550 /nfs/dbraw/zinc/32/65/50/1351326550.db2.gz MTKMFPUVWBRZHO-UHFFFAOYSA-N -1 1 347.791 2.041 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccsc1-c1nnn[n-]1 ZINC001606746312 1351350750 /nfs/dbraw/zinc/35/07/50/1351350750.db2.gz OMDKMJAOYPKQRE-NSHDSACASA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccsc1-c1nn[n-]n1 ZINC001606746312 1351350752 /nfs/dbraw/zinc/35/07/52/1351350752.db2.gz OMDKMJAOYPKQRE-NSHDSACASA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1C[C@H]1C1CCC1 ZINC001606830589 1351363476 /nfs/dbraw/zinc/36/34/76/1351363476.db2.gz HIEDLFYXSJFYDQ-JQWIXIFHSA-N -1 1 332.433 2.164 20 0 EEADMM O=C(NCc1noc2cc(F)ccc12)c1ccsc1-c1nnn[n-]1 ZINC001606850656 1351366345 /nfs/dbraw/zinc/36/63/45/1351366345.db2.gz OEERBUHQSYLGCP-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(NCc1noc2cc(F)ccc12)c1ccsc1-c1nn[n-]n1 ZINC001606850656 1351366349 /nfs/dbraw/zinc/36/63/49/1351366349.db2.gz OEERBUHQSYLGCP-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(Nc1ccnn1CC1CCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001606944662 1351381033 /nfs/dbraw/zinc/38/10/33/1351381033.db2.gz AIVTYQDGGNUJJL-UHFFFAOYSA-N -1 1 329.389 2.177 20 0 EEADMM O=C(Nc1ccnn1CC1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001606944662 1351381038 /nfs/dbraw/zinc/38/10/38/1351381038.db2.gz AIVTYQDGGNUJJL-UHFFFAOYSA-N -1 1 329.389 2.177 20 0 EEADMM O=S(=O)(c1c2ccccc2sc1-c1nn[n-]n1)N1CC=CCC1 ZINC001607069738 1351406531 /nfs/dbraw/zinc/40/65/31/1351406531.db2.gz OAKNMPMLKJTXQB-UHFFFAOYSA-N -1 1 347.425 2.032 20 0 EEADMM O=c1c2cc(Cl)ccc2ncn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001607089707 1351413555 /nfs/dbraw/zinc/41/35/55/1351413555.db2.gz JETRFJIXNXJFBX-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM c1ccc(COCCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001607129531 1351431033 /nfs/dbraw/zinc/43/10/33/1351431033.db2.gz XSMAMKSKOUKPTH-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1ccc(COCCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001607129531 1351431036 /nfs/dbraw/zinc/43/10/36/1351431036.db2.gz XSMAMKSKOUKPTH-UHFFFAOYSA-N -1 1 337.387 2.208 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001607128812 1351431201 /nfs/dbraw/zinc/43/12/01/1351431201.db2.gz HCDIKJDIDBKQKY-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001607128812 1351431205 /nfs/dbraw/zinc/43/12/05/1351431205.db2.gz HCDIKJDIDBKQKY-CZUORRHYSA-N -1 1 337.387 2.237 20 0 EEADMM COc1ccc(-c2cnc(CN[C@]3(CC(=O)[O-])CCCOC3)o2)cc1 ZINC001607196687 1351446928 /nfs/dbraw/zinc/44/69/28/1351446928.db2.gz DEWRUDDAKFHDCU-SFHVURJKSA-N -1 1 346.383 2.464 20 0 EEADMM COc1ccc([C@@H](NCc2cnn(C(C)(C)C)c2)C(=O)[O-])cc1O ZINC001607236144 1351455894 /nfs/dbraw/zinc/45/58/94/1351455894.db2.gz XSICJJBTUKSHFF-OAHLLOKOSA-N -1 1 333.388 2.268 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)c(C)c1C(=O)[O-] ZINC001607485917 1351502144 /nfs/dbraw/zinc/50/21/44/1351502144.db2.gz MJYLKTKYPLSASQ-KBPBESRZSA-N -1 1 334.416 2.261 20 0 EEADMM Cc1cc(C=O)c(O)c(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC001607633271 1351529409 /nfs/dbraw/zinc/52/94/09/1351529409.db2.gz JGUKXTWOMKBVTE-UHFFFAOYSA-N -1 1 328.324 2.475 20 0 EEADMM Cc1nc2ccccn2c(=O)c1CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC001607973580 1351595825 /nfs/dbraw/zinc/59/58/25/1351595825.db2.gz HVMDWSXZTUFSFF-UHFFFAOYSA-N -1 1 349.390 2.259 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001607987267 1351598494 /nfs/dbraw/zinc/59/84/94/1351598494.db2.gz HSWCSGXRRXSBFS-KBPBESRZSA-N -1 1 327.388 2.182 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@H](C)Cc2cn[nH]c21 ZINC001608007443 1351603499 /nfs/dbraw/zinc/60/34/99/1351603499.db2.gz ICEFMHPNFZVZKX-NOZJJQNGSA-N -1 1 345.403 2.002 20 0 EEADMM NC(=O)C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001625046134 1352438560 /nfs/dbraw/zinc/43/85/60/1352438560.db2.gz ZVMNBHRFGMOYMF-OAHLLOKOSA-N -1 1 335.363 2.287 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(-n2ccnn2)c1 ZINC001634382076 1352626815 /nfs/dbraw/zinc/62/68/15/1352626815.db2.gz YZMGYPYTBWKJEW-UHFFFAOYSA-N -1 1 346.350 2.411 20 0 EEADMM O=C(NCc1noc(-c2cccs2)n1)c1cnc(C2CC2)[n-]c1=O ZINC001635941528 1352655685 /nfs/dbraw/zinc/65/56/85/1352655685.db2.gz HCILNDZBHADQST-UHFFFAOYSA-N -1 1 343.368 2.101 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001641125802 1352718179 /nfs/dbraw/zinc/71/81/79/1352718179.db2.gz FYGPAWKEYWLTGH-UHFFFAOYSA-N -1 1 349.144 2.384 20 0 EEADMM CSc1nc(CNC(=O)c2cccc3cccnc32)cc(=O)[n-]1 ZINC001643836200 1352753545 /nfs/dbraw/zinc/75/35/45/1352753545.db2.gz SVSDWDRCSFNDHI-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM Cc1ncc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)cn1 ZINC001646226541 1352822575 /nfs/dbraw/zinc/82/25/75/1352822575.db2.gz QKQDXMSXIDSFOF-CABCVRRESA-N -1 1 333.338 2.363 20 0 EEADMM O=C(NCCc1csc(=O)[nH]1)c1ccc2ccc(O)cc2c1[O-] ZINC001648725049 1353441214 /nfs/dbraw/zinc/44/12/14/1353441214.db2.gz JSBMIOCDYKJPTG-UHFFFAOYSA-N -1 1 330.365 2.386 20 0 EEADMM CCCC(C)(C)C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001388678882 1387637724 /nfs/dbraw/zinc/63/77/24/1387637724.db2.gz ZRGGRDLGTSYREV-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM CSc1nc(NC(=O)CCc2cnc3[nH]ccc3c2)cc(=O)[n-]1 ZINC001187543503 1368249748 /nfs/dbraw/zinc/24/97/48/1368249748.db2.gz IVANYKKWWVJKOU-UHFFFAOYSA-N -1 1 329.385 2.352 20 0 EEADMM Cn1cccc1-c1cc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)no1 ZINC001195988295 1368580705 /nfs/dbraw/zinc/58/07/05/1368580705.db2.gz PEWYGYOYZIWITO-UHFFFAOYSA-N -1 1 335.327 2.113 20 0 EEADMM Cc1ccc(CO)cc1NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196721789 1368606864 /nfs/dbraw/zinc/60/68/64/1368606864.db2.gz UCZGDMLPMIUSMO-UHFFFAOYSA-N -1 1 340.426 2.173 20 0 EEADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)o1 ZINC000867300507 1368663214 /nfs/dbraw/zinc/66/32/14/1368663214.db2.gz GIDVNODYABVSKA-UHFFFAOYSA-N -1 1 333.772 2.211 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000886916140 1369707195 /nfs/dbraw/zinc/70/71/95/1369707195.db2.gz PCWUAODCABVCAN-ZETCQYMHSA-N -1 1 329.282 2.205 20 0 EEADMM O=C(c1cccc(NCc2ccccn2)c1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000900389619 1369922984 /nfs/dbraw/zinc/92/29/84/1369922984.db2.gz GRCDLMILSXRFOJ-MRXNPFEDSA-N -1 1 349.398 2.184 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001389469404 1388138797 /nfs/dbraw/zinc/13/87/97/1388138797.db2.gz BTAGGIYTEANDFK-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)CN2Cc3ccccc3C2=O)[n-]1 ZINC000797274645 1371524315 /nfs/dbraw/zinc/52/43/15/1371524315.db2.gz GJRLJTIZPZSZID-LLVKDONJSA-N -1 1 342.351 2.003 20 0 EEADMM O=C(c1ccc2c(c1)oc1ccccc12)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001117110695 1371741903 /nfs/dbraw/zinc/74/19/03/1371741903.db2.gz SRDBLQIYCVCQOQ-MRXNPFEDSA-N -1 1 349.350 2.313 20 0 EEADMM O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccc(F)c([O-])c1 ZINC001149086476 1371793664 /nfs/dbraw/zinc/79/36/64/1371793664.db2.gz OVRGRDATCOQBAV-UHFFFAOYSA-N -1 1 342.330 2.034 20 0 EEADMM CC(C)CC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389540696 1388182996 /nfs/dbraw/zinc/18/29/96/1388182996.db2.gz XBHPYMBPCYZYAY-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM CCn1c(C)cc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1C ZINC000830832616 1372351853 /nfs/dbraw/zinc/35/18/53/1372351853.db2.gz HIFXNTKPBHTJQK-HNNXBMFYSA-N -1 1 345.365 2.408 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000830840717 1372352160 /nfs/dbraw/zinc/35/21/60/1372352160.db2.gz LMCPEQRUALMTAQ-HNNXBMFYSA-N -1 1 339.317 2.451 20 0 EEADMM CCn1ncc2c1[C@H](COC)CN(Cc1ccccc1C(=O)[O-])C2 ZINC001140501711 1372588435 /nfs/dbraw/zinc/58/84/35/1372588435.db2.gz IODWDYVXZHVJET-HNNXBMFYSA-N -1 1 329.400 2.347 20 0 EEADMM CC(C)N(C)Cc1cnc2n1CCN(Cc1ccccc1C(=O)[O-])C2 ZINC001140502625 1372589239 /nfs/dbraw/zinc/58/92/39/1372589239.db2.gz PDTBFPZBCNJABP-UHFFFAOYSA-N -1 1 342.443 2.437 20 0 EEADMM O=C(NC1CCN(Cc2ccc([O-])c(F)c2F)CC1)c1ccccn1 ZINC001140892166 1372704405 /nfs/dbraw/zinc/70/44/05/1372704405.db2.gz CTBOBKLISGUXKE-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000848334827 1373133784 /nfs/dbraw/zinc/13/37/84/1373133784.db2.gz RVAVJXGGRBOAIW-VIFPVBQESA-N -1 1 348.296 2.062 20 0 EEADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2ocnc2CC)n[n-]1 ZINC001362474025 1373420201 /nfs/dbraw/zinc/42/02/01/1373420201.db2.gz JLAXGUZSZQSPMJ-LLVKDONJSA-N -1 1 349.391 2.049 20 0 EEADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2ocnc2CC)[n-]1 ZINC001362474025 1373420204 /nfs/dbraw/zinc/42/02/04/1373420204.db2.gz JLAXGUZSZQSPMJ-LLVKDONJSA-N -1 1 349.391 2.049 20 0 EEADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2ocnc2CC)n1 ZINC001362474025 1373420209 /nfs/dbraw/zinc/42/02/09/1373420209.db2.gz JLAXGUZSZQSPMJ-LLVKDONJSA-N -1 1 349.391 2.049 20 0 EEADMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001363488109 1373526020 /nfs/dbraw/zinc/52/60/20/1373526020.db2.gz GJNHXRGVGPLSEV-MRVPVSSYSA-N -1 1 339.804 2.338 20 0 EEADMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001363978790 1373565417 /nfs/dbraw/zinc/56/54/17/1373565417.db2.gz MANGSKUBLJXBNP-VIFPVBQESA-N -1 1 336.339 2.047 20 0 EEADMM CCCCc1ccc(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001369256184 1374517399 /nfs/dbraw/zinc/51/73/99/1374517399.db2.gz KCVBXFXLQLIRAQ-CYBMUJFWSA-N -1 1 345.447 2.103 20 0 EEADMM C[C@@H](CN(C)C(=O)C12CCC(CC1)CC2)NC(=O)c1ncccc1[O-] ZINC001370528031 1374975595 /nfs/dbraw/zinc/97/55/95/1374975595.db2.gz LHSCFGPEMWVADR-CDJWAVJASA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001371257618 1375330146 /nfs/dbraw/zinc/33/01/46/1375330146.db2.gz YZTFRYRCISEGHX-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)CCC1CCC1 ZINC001414114629 1375760315 /nfs/dbraw/zinc/76/03/15/1375760315.db2.gz NOOVERVTIGJJOZ-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](NC/C(Cl)=C\Cl)C(C)C)c1[O-] ZINC001374417875 1376796982 /nfs/dbraw/zinc/79/69/82/1376796982.db2.gz XALONANOTFMDLK-LLGDCAAFSA-N -1 1 335.235 2.087 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNC(=O)CC1CCC1 ZINC001375916233 1378151542 /nfs/dbraw/zinc/15/15/42/1378151542.db2.gz SVIVJGIAHRIRNP-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)NC(=O)c1ncccc1[O-] ZINC001376881326 1378827865 /nfs/dbraw/zinc/82/78/65/1378827865.db2.gz KWXSVJAWBLRSRA-GFCCVEGCSA-N -1 1 339.395 2.213 20 0 EEADMM Cc1sccc1C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001380713797 1381353526 /nfs/dbraw/zinc/35/35/26/1381353526.db2.gz OYLKYOYBZHZQRZ-JTQLQIEISA-N -1 1 333.413 2.048 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(F)(F)F ZINC001381076525 1381501907 /nfs/dbraw/zinc/50/19/07/1381501907.db2.gz GTNBQTGATDIOPT-JTQLQIEISA-N -1 1 347.337 2.144 20 0 EEADMM O=C(NC1(CNC(=O)[C@]23C[C@H]2CCC3)CCCC1)c1ncccc1[O-] ZINC001390740913 1388758893 /nfs/dbraw/zinc/75/88/93/1388758893.db2.gz LZMUCUWYHRRQPP-BFUOFWGJSA-N -1 1 343.427 2.136 20 0 EEADMM CCCC[C@@H](CNC(=O)C1CC2(CC2)C1)NC(=O)c1ncccc1[O-] ZINC001383222657 1382400736 /nfs/dbraw/zinc/40/07/36/1382400736.db2.gz INWSXDLNFYNHRC-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC[C@H](CNC(=O)c1ccoc1C)NC(=O)c1ncccc1[O-] ZINC001383223112 1382402040 /nfs/dbraw/zinc/40/20/40/1382402040.db2.gz KSUWPHYUCADERA-CYBMUJFWSA-N -1 1 345.399 2.407 20 0 EEADMM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@H](C)c1ccccc1F ZINC001390912560 1388870968 /nfs/dbraw/zinc/87/09/68/1388870968.db2.gz WHSIWYXQBNUIGM-GFCCVEGCSA-N -1 1 334.395 2.376 20 0 EEADMM CCN(CCNC(=O)c1[nH]nc(C)c1[O-])[C@@H](C)c1ccccc1F ZINC001390912565 1388871081 /nfs/dbraw/zinc/87/10/81/1388871081.db2.gz WHSIWYXQBNUIGM-LBPRGKRZSA-N -1 1 334.395 2.376 20 0 EEADMM O=C(NC[C@@H](NC(=O)C1(F)CCCCC1)C1CC1)c1ncccc1[O-] ZINC001385708411 1385786936 /nfs/dbraw/zinc/78/69/36/1385786936.db2.gz XTFYSHNICFUEIK-CYBMUJFWSA-N -1 1 349.406 2.084 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)NC(=O)c1ncccc1[O-] ZINC001386995236 1386439180 /nfs/dbraw/zinc/43/91/80/1386439180.db2.gz LVHWYDKZYBXRPF-JTQLQIEISA-N -1 1 349.337 2.273 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001387066534 1386477030 /nfs/dbraw/zinc/47/70/30/1386477030.db2.gz RVWUSGCXLJPFHI-SHTZXODSSA-N -1 1 347.459 2.438 20 0 EEADMM CCCN(CCNC(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)c1ncccc1[O-] ZINC001387422930 1386722344 /nfs/dbraw/zinc/72/23/44/1386722344.db2.gz OVUBPIUWYSDKSQ-LSDHHAIUSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@H](CNC(=O)Cc1ccsc1C)NC(=O)c1ncccc1[O-] ZINC001388074355 1387168327 /nfs/dbraw/zinc/16/83/27/1387168327.db2.gz PMDXEUYSOHCALM-CYBMUJFWSA-N -1 1 347.440 2.024 20 0 EEADMM CCC(CC)CC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001396836714 1390975401 /nfs/dbraw/zinc/97/54/01/1390975401.db2.gz JSEKAJRNRGHKCM-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001397415800 1391211048 /nfs/dbraw/zinc/21/10/48/1391211048.db2.gz PLKDWQHNRPDFHO-NSHDSACASA-N -1 1 345.399 2.360 20 0 EEADMM CC(C)C(=O)NCc1ccc(CCNC(=O)c2ncccc2[O-])cc1 ZINC001397710018 1391442684 /nfs/dbraw/zinc/44/26/84/1391442684.db2.gz VLBIVTJXULRBSY-UHFFFAOYSA-N -1 1 341.411 2.032 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C)cc1F ZINC001398948951 1394356110 /nfs/dbraw/zinc/35/61/10/1394356110.db2.gz VCEWOHGQIHDLOZ-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM Cc1occc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399133411 1394735186 /nfs/dbraw/zinc/73/51/86/1394735186.db2.gz LSTATEPFICZJLR-UHFFFAOYSA-N -1 1 343.383 2.161 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)CC(C)C)cc1 ZINC001401271878 1397105968 /nfs/dbraw/zinc/10/59/68/1397105968.db2.gz LNSLIXPNUMQXOE-OAHLLOKOSA-N -1 1 345.447 2.007 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](C)N[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC001402865631 1398248228 /nfs/dbraw/zinc/24/82/28/1398248228.db2.gz KKHINVKLAVTVHE-DTWKUNHWSA-N -1 1 338.358 2.171 20 0 EEADMM CC(C)OC(=O)CCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001426035726 1401862884 /nfs/dbraw/zinc/86/28/84/1401862884.db2.gz BXJYFSSXMPKLLR-UHFFFAOYSA-N -1 1 332.360 2.041 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])C1CCN(C(=O)C(C)C)CC1 ZINC001427840495 1402540257 /nfs/dbraw/zinc/54/02/57/1402540257.db2.gz PINHWNMEKJUZFA-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)[C@@H](C)C(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001431934907 1403161438 /nfs/dbraw/zinc/16/14/38/1403161438.db2.gz SGNBQLIWJMPJOA-ZIAGYGMSSA-N -1 1 347.459 2.436 20 0 EEADMM CC[C@@H](C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576615836 1403590962 /nfs/dbraw/zinc/59/09/62/1403590962.db2.gz JDKAEYUWLUGZTN-MWLCHTKSSA-N -1 1 349.464 2.081 20 0 EEADMM Cc1ccc(F)c(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001581204849 1403877212 /nfs/dbraw/zinc/87/72/12/1403877212.db2.gz LKBANQGNZRDGDF-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1ccc(F)c(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001581204849 1403877217 /nfs/dbraw/zinc/87/72/17/1403877217.db2.gz LKBANQGNZRDGDF-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1ccc(F)cc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581206729 1403878174 /nfs/dbraw/zinc/87/81/74/1403878174.db2.gz GKHBHKHVAYJKQX-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1ccc(F)cc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581206729 1403878178 /nfs/dbraw/zinc/87/81/78/1403878178.db2.gz GKHBHKHVAYJKQX-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM COC(=O)c1ccc(NCCC[C@H]2C=CCC2)c(-c2nnn[n-]2)n1 ZINC001591296837 1403904498 /nfs/dbraw/zinc/90/44/98/1403904498.db2.gz XJBKVPPJHMXJRO-NSHDSACASA-N -1 1 328.376 2.207 20 0 EEADMM COC(=O)c1ccc(NCCC[C@H]2C=CCC2)c(-c2nn[n-]n2)n1 ZINC001591296837 1403904506 /nfs/dbraw/zinc/90/45/06/1403904506.db2.gz XJBKVPPJHMXJRO-NSHDSACASA-N -1 1 328.376 2.207 20 0 EEADMM Cc1cc(=O)[nH]c2ccc(NC(=O)c3coc(-c4nnn[n-]4)c3)cc12 ZINC001592056978 1403990116 /nfs/dbraw/zinc/99/01/16/1403990116.db2.gz BPMBTXUGEQOBOC-UHFFFAOYSA-N -1 1 336.311 2.274 20 0 EEADMM Cc1cc(=O)[nH]c2ccc(NC(=O)c3coc(-c4nn[n-]n4)c3)cc12 ZINC001592056978 1403990122 /nfs/dbraw/zinc/99/01/22/1403990122.db2.gz BPMBTXUGEQOBOC-UHFFFAOYSA-N -1 1 336.311 2.274 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c2c1CCC2 ZINC001592128226 1404000243 /nfs/dbraw/zinc/00/02/43/1404000243.db2.gz FIWMAFBKNHBKTI-UHFFFAOYSA-N -1 1 340.412 2.050 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c2c1CCC2 ZINC001592128226 1404000246 /nfs/dbraw/zinc/00/02/46/1404000246.db2.gz FIWMAFBKNHBKTI-UHFFFAOYSA-N -1 1 340.412 2.050 20 0 EEADMM Cc1nocc1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001592466392 1404698217 /nfs/dbraw/zinc/69/82/17/1404698217.db2.gz SHPGCIUUNVGDLW-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM Cc1nsc(NC(=O)N2CC(F)(F)CC[C@H]2C)c1-c1nnn[n-]1 ZINC001592480240 1404698328 /nfs/dbraw/zinc/69/83/28/1404698328.db2.gz VGQDEMITSBWUEV-ZCFIWIBFSA-N -1 1 343.363 2.283 20 0 EEADMM Cc1nsc(NC(=O)N2CC(F)(F)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001592480240 1404698344 /nfs/dbraw/zinc/69/83/44/1404698344.db2.gz VGQDEMITSBWUEV-ZCFIWIBFSA-N -1 1 343.363 2.283 20 0 EEADMM Fc1ccccc1N1CCCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001592661630 1404705726 /nfs/dbraw/zinc/70/57/26/1404705726.db2.gz KZBGDQCEMSUYSI-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM Fc1ccccc1N1CCCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001592661630 1404705727 /nfs/dbraw/zinc/70/57/27/1404705727.db2.gz KZBGDQCEMSUYSI-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@H](C)c2ccncc2)c1-c1nnn[n-]1 ZINC001606149373 1404768910 /nfs/dbraw/zinc/76/89/10/1404768910.db2.gz OFYVGCHQMRNZAC-SECBINFHSA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NC(=O)N(C)[C@H](C)c2ccncc2)c1-c1nn[n-]n1 ZINC001606149373 1404768913 /nfs/dbraw/zinc/76/89/13/1404768913.db2.gz OFYVGCHQMRNZAC-SECBINFHSA-N -1 1 344.404 2.252 20 0 EEADMM Cc1nsc(NC[C@@H](C)NC(=O)CCC2(C)CC2)c1-c1nn[n-]n1 ZINC001606161912 1404770293 /nfs/dbraw/zinc/77/02/93/1404770293.db2.gz XMTCSWCFJNYTMH-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM C/C(=C/C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001756228860 1408237584 /nfs/dbraw/zinc/23/75/84/1408237584.db2.gz NIAZWWHFOIANOV-QELFOPCUSA-N -1 1 343.427 2.301 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001756274551 1408277189 /nfs/dbraw/zinc/27/71/89/1408277189.db2.gz OXBFZEQQOCNZAG-ZDUSSCGKSA-N -1 1 327.384 2.116 20 0 EEADMM C[C@H](CCCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001756329547 1408336891 /nfs/dbraw/zinc/33/68/91/1408336891.db2.gz SXZGDKQPOHZVFG-MGPQQGTHSA-N -1 1 347.459 2.484 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC001756409030 1408423498 /nfs/dbraw/zinc/42/34/98/1408423498.db2.gz LAAZQLSEFLGGOZ-CABCVRRESA-N -1 1 343.427 2.110 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)[C@H]1CC=CCC1)C1CC1 ZINC001756409031 1408423872 /nfs/dbraw/zinc/42/38/72/1408423872.db2.gz LAAZQLSEFLGGOZ-GJZGRUSLSA-N -1 1 343.427 2.110 20 0 EEADMM CCOC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001771644132 1409820203 /nfs/dbraw/zinc/82/02/03/1409820203.db2.gz OAHVPCIHQKGINP-LBPRGKRZSA-N -1 1 331.290 2.483 20 0 EEADMM CCCc1[nH]ccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000421776066 1409824338 /nfs/dbraw/zinc/82/43/38/1409824338.db2.gz ZAYOEWXRLYCULS-UHFFFAOYSA-N -1 1 326.360 2.312 20 0 EEADMM C[C@@H]1CN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)C[C@@H](C)S1 ZINC001772172104 1410074519 /nfs/dbraw/zinc/07/45/19/1410074519.db2.gz BQUCOOFGVREFTG-NXEZZACHSA-N -1 1 346.460 2.185 20 0 EEADMM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001772457215 1410197102 /nfs/dbraw/zinc/19/71/02/1410197102.db2.gz DYYMOFQVIRWEDH-PWSUYJOCSA-N -1 1 347.806 2.078 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccccc1Cl ZINC000942381427 782332844 /nfs/dbraw/zinc/33/28/44/782332844.db2.gz HRNZLAQLAQJADR-LLVKDONJSA-N -1 1 345.786 2.085 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C)cn2)n[n-]1 ZINC000846642588 790301395 /nfs/dbraw/zinc/30/13/95/790301395.db2.gz KNMRJXFKJBPAGM-ZDUSSCGKSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C)cn2)[n-]1 ZINC000846642588 790301401 /nfs/dbraw/zinc/30/14/01/790301401.db2.gz KNMRJXFKJBPAGM-ZDUSSCGKSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2ccc(C)cn2)n1 ZINC000846642588 790301406 /nfs/dbraw/zinc/30/14/06/790301406.db2.gz KNMRJXFKJBPAGM-ZDUSSCGKSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)noc2C(F)(F)F)n1 ZINC000846651299 790311592 /nfs/dbraw/zinc/31/15/92/790311592.db2.gz QJHSDRXPXXGQHI-UHFFFAOYSA-N -1 1 332.238 2.154 20 0 EEADMM COc1cc[n-]c(=NNS(=O)(=O)C=Cc2cccc(Cl)c2)n1 ZINC000588482306 760093103 /nfs/dbraw/zinc/09/31/03/760093103.db2.gz PROMXSIWGMBDNI-VURMDHGXSA-N -1 1 340.792 2.056 20 0 EEADMM Cc1cc(C)nc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935751 765606595 /nfs/dbraw/zinc/60/65/95/765606595.db2.gz WLGKCMULKKETRA-CQSZACIVSA-N -1 1 343.431 2.451 20 0 EEADMM CCc1ncnc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)c1F ZINC001105174912 769242149 /nfs/dbraw/zinc/24/21/49/769242149.db2.gz OOBZQDJXLJFSLH-GFCCVEGCSA-N -1 1 347.394 2.145 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1F ZINC000921308214 773267672 /nfs/dbraw/zinc/26/76/72/773267672.db2.gz WWPLFIYWWTVHOL-ZIYJGFGOSA-N -1 1 345.367 2.074 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cocc2C)C1 ZINC000942754900 783137608 /nfs/dbraw/zinc/13/76/08/783137608.db2.gz SEAGPFXAXMQYTM-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000942757664 783145021 /nfs/dbraw/zinc/14/50/21/783145021.db2.gz IKRRTKVCFHDQEI-PJIJBLCYSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000942758715 783148438 /nfs/dbraw/zinc/14/84/38/783148438.db2.gz QRKJQRLUGUTNTA-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995280338 783193259 /nfs/dbraw/zinc/19/32/59/783193259.db2.gz VCDMRPWWFPCFTE-PMFCASCLSA-N -1 1 343.427 2.254 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(Cl)c3F)nc2n1 ZINC001131779126 783230054 /nfs/dbraw/zinc/23/00/54/783230054.db2.gz ZSEKOSSDWWNROM-UHFFFAOYSA-N -1 1 335.726 2.025 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc(Cl)ccc3F)nc2n1 ZINC001131778612 783230201 /nfs/dbraw/zinc/23/02/01/783230201.db2.gz PYMDFAHXQJBDLB-UHFFFAOYSA-N -1 1 335.726 2.025 20 0 EEADMM Cc1cccc(CSCC(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000067050969 779769421 /nfs/dbraw/zinc/76/94/21/779769421.db2.gz YNLCGXLHIDWCFN-UHFFFAOYSA-N -1 1 336.486 2.378 20 0 EEADMM C[C@H]1CCN(c2cccc3nncn32)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000893865823 780254224 /nfs/dbraw/zinc/25/42/24/780254224.db2.gz CYPQAQHAUCXFAD-KWBADKCTSA-N -1 1 341.337 2.011 20 0 EEADMM Cc1cc(C([O-])=C[S@](=O)c2ccc3c(c2)OCCO3)c(C)n1C ZINC000518121140 781290873 /nfs/dbraw/zinc/29/08/73/781290873.db2.gz SQZSGXNKRTZUMP-QHCPKHFHSA-N -1 1 333.409 2.404 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1nnc2ccccc2c1O ZINC000186959544 783240749 /nfs/dbraw/zinc/24/07/49/783240749.db2.gz QRCZWNUYHUKKAG-UHFFFAOYSA-N -1 1 329.400 2.080 20 0 EEADMM CC1(C)CCC[C@@H](CC(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC001035104531 783746877 /nfs/dbraw/zinc/74/68/77/783746877.db2.gz UQIPPBFUUBEEJF-UONOGXRCSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)CC1CCCC1 ZINC000945287767 783780445 /nfs/dbraw/zinc/78/04/45/783780445.db2.gz HZHAHFIFVQAHAR-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945296887 783784521 /nfs/dbraw/zinc/78/45/21/783784521.db2.gz IBRXMJWSBGDKRW-TZMCWYRMSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)(C)OC(=O)NCCN(CCO)Cc1cccc([O-])c1Cl ZINC000816571303 784133088 /nfs/dbraw/zinc/13/30/88/784133088.db2.gz YZWFASGCOYTAHA-UHFFFAOYSA-N -1 1 344.839 2.365 20 0 EEADMM COCC[C@H](Cc1ccco1)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907322382 784548203 /nfs/dbraw/zinc/54/82/03/784548203.db2.gz DLPCIVJGTOPPNK-GFCCVEGCSA-N -1 1 331.372 2.030 20 0 EEADMM CO[C@H]1Cc2ccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)cc2C1 ZINC000907326258 784551104 /nfs/dbraw/zinc/55/11/04/784551104.db2.gz JDIGGZZQNAZACJ-AWEZNQCLSA-N -1 1 325.368 2.426 20 0 EEADMM O=C(C/C=C\Cc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476170 784644908 /nfs/dbraw/zinc/64/49/08/784644908.db2.gz MPKIZWGYJUGEAJ-WSNITJDQSA-N -1 1 329.429 2.005 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907477010 784646295 /nfs/dbraw/zinc/64/62/95/784646295.db2.gz DRHCHYIGRRNNLO-HIFRSBDPSA-N -1 1 345.472 2.475 20 0 EEADMM O=C(c1ccc(F)c2ccccc12)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477532 784646303 /nfs/dbraw/zinc/64/63/03/784646303.db2.gz FHABLPWMQWMOKO-CQSZACIVSA-N -1 1 343.387 2.422 20 0 EEADMM O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907482640 784688628 /nfs/dbraw/zinc/68/86/28/784688628.db2.gz RSGNKJHKNIDUQY-IHRRRGAJSA-N -1 1 335.477 2.423 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC000945831298 784935620 /nfs/dbraw/zinc/93/56/20/784935620.db2.gz QFOQVHRMITVWIB-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM CCOC(=O)[C@H]1CSCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000907907328 784955292 /nfs/dbraw/zinc/95/52/92/784955292.db2.gz XIFSNRMHGVPZPE-CQSZACIVSA-N -1 1 347.392 2.329 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945922334 785054758 /nfs/dbraw/zinc/05/47/58/785054758.db2.gz WKLADBGUTMSVPE-QWHCGFSZSA-N -1 1 347.390 2.114 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(Cl)cc1C ZINC000817933363 785079756 /nfs/dbraw/zinc/07/97/56/785079756.db2.gz BJAGGWAXAUHSPH-UHFFFAOYSA-N -1 1 344.776 2.316 20 0 EEADMM O=C([O-])c1ccc2cc(CCNC(=O)[C@H]3CCCN3C3CC3)oc2c1 ZINC000908218624 785244935 /nfs/dbraw/zinc/24/49/35/785244935.db2.gz LRBSCLNRCSKSRL-MRXNPFEDSA-N -1 1 342.395 2.417 20 0 EEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCN2C ZINC000818283579 785251395 /nfs/dbraw/zinc/25/13/95/785251395.db2.gz JOOBKLOUKODNRY-UHFFFAOYSA-N -1 1 348.424 2.462 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N(C)C)[C@H](C(=O)[O-])C1 ZINC000908747495 785687248 /nfs/dbraw/zinc/68/72/48/785687248.db2.gz RTGBWMXDYPJNNX-AGIUHOORSA-N -1 1 339.461 2.246 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)C(=O)[O-] ZINC000908755257 785701698 /nfs/dbraw/zinc/70/16/98/785701698.db2.gz WIENYMBABUJHEW-SSBHQGKESA-N -1 1 337.395 2.147 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908814219 785748168 /nfs/dbraw/zinc/74/81/68/785748168.db2.gz OPYASJYCSVYRKB-AAEUAGOBSA-N -1 1 327.450 2.246 20 0 EEADMM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000908815652 785750671 /nfs/dbraw/zinc/75/06/71/785750671.db2.gz DUSPQCCTIKSEDE-NHYWBVRUSA-N -1 1 340.370 2.329 20 0 EEADMM CC(C)(CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000908819765 785755295 /nfs/dbraw/zinc/75/52/95/785755295.db2.gz NHEXBONQEDWNPO-MRXNPFEDSA-N -1 1 332.444 2.168 20 0 EEADMM C[C@H](CN(Cc1ccccc1)C(=O)CCCCc1cn[nH]n1)C(=O)[O-] ZINC000908837929 785770030 /nfs/dbraw/zinc/77/00/30/785770030.db2.gz BLROWJCBFHKNIQ-CQSZACIVSA-N -1 1 344.415 2.267 20 0 EEADMM CCCN(CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000908875311 785813324 /nfs/dbraw/zinc/81/33/24/785813324.db2.gz FKDKIALUKQKBQY-CYBMUJFWSA-N -1 1 325.409 2.169 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000820407203 785901234 /nfs/dbraw/zinc/90/12/34/785901234.db2.gz FDTNXJAAJQROLA-UHFFFAOYSA-N -1 1 343.309 2.157 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000909010768 785910712 /nfs/dbraw/zinc/91/07/12/785910712.db2.gz WIKNWMYVZGYKCJ-SMDDNHRTSA-N -1 1 330.388 2.266 20 0 EEADMM O=C(NC/C=C/CNc1cnc2ccccc2n1)c1ncccc1[O-] ZINC001107139852 785978377 /nfs/dbraw/zinc/97/83/77/785978377.db2.gz SXDCYVGIUGWZIP-ONEGZZNKSA-N -1 1 335.367 2.129 20 0 EEADMM CCOC(=O)CC1(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)CC1 ZINC000901765315 786123899 /nfs/dbraw/zinc/12/38/99/786123899.db2.gz CYHPIEBPKXOVCX-UHFFFAOYSA-N -1 1 341.433 2.226 20 0 EEADMM CCC1CCC(NC(=O)Cc2n[nH]c3c2CCCC3)(C(=O)[O-])CC1 ZINC000909317402 786161013 /nfs/dbraw/zinc/16/10/13/786161013.db2.gz ZCOFJZYNVYMMFH-UHFFFAOYSA-N -1 1 333.432 2.371 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])n[nH]2)c1 ZINC000909779688 786241490 /nfs/dbraw/zinc/24/14/90/786241490.db2.gz KIKWEENHOBBROW-ZBEGNZNMSA-N -1 1 343.383 2.411 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC000909846860 786300772 /nfs/dbraw/zinc/30/07/72/786300772.db2.gz OIPTUQPFFUKORJ-RNCFNFMXSA-N -1 1 331.347 2.481 20 0 EEADMM O=C(CNC(=O)NC1CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909974995 786370245 /nfs/dbraw/zinc/37/02/45/786370245.db2.gz NRJGTOLQTHOHDR-UHFFFAOYSA-N -1 1 327.331 2.241 20 0 EEADMM CC1CCN(CC(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910109596 786457032 /nfs/dbraw/zinc/45/70/32/786457032.db2.gz JDHRALRJSYSPSZ-CYBMUJFWSA-N -1 1 337.445 2.237 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2CCOC(C)(C)C2)c1 ZINC000820740660 786457897 /nfs/dbraw/zinc/45/78/97/786457897.db2.gz DDUYQSOAXPFQQE-DMZKTXOQSA-N -1 1 326.414 2.304 20 0 EEADMM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000910117638 786476204 /nfs/dbraw/zinc/47/62/04/786476204.db2.gz LKBNOJYLRRVANK-WMLDXEAASA-N -1 1 334.420 2.036 20 0 EEADMM C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC000910151517 786500715 /nfs/dbraw/zinc/50/07/15/786500715.db2.gz BTWQQBIOYGVONI-GHMZBOCLSA-N -1 1 325.434 2.283 20 0 EEADMM CN1CCN(C[C@@H](Nc2ncc(C(=O)[O-])s2)c2ccccc2)CC1 ZINC000910344952 786675410 /nfs/dbraw/zinc/67/54/10/786675410.db2.gz IBQLABOFLAJQIE-CQSZACIVSA-N -1 1 346.456 2.242 20 0 EEADMM Cc1noc2ncc(S(=O)(=O)Nc3cc(C)cc(C(=O)[O-])c3)cc12 ZINC000507565809 786978456 /nfs/dbraw/zinc/97/84/56/786978456.db2.gz KFBOIYHLGGIRMV-UHFFFAOYSA-N -1 1 347.352 2.339 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n[nH]2)cc1C ZINC000910799347 787034009 /nfs/dbraw/zinc/03/40/09/787034009.db2.gz KDOPVRXMOQERSO-VIKVFOODSA-N -1 1 325.368 2.096 20 0 EEADMM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])CS2 ZINC000910980367 787160365 /nfs/dbraw/zinc/16/03/65/787160365.db2.gz ASQYKBAEIZZJFO-YGRLFVJLSA-N -1 1 328.340 2.063 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccnc(O[C@@H]2CCOC2)c1 ZINC000910984821 787163724 /nfs/dbraw/zinc/16/37/24/787163724.db2.gz YXKZQGRXCYOHDC-LLVKDONJSA-N -1 1 336.294 2.485 20 0 EEADMM COc1ccccc1[C@](N)(C(=O)[N-]C1=NC[C@H](C)S1)C(F)(F)F ZINC000822481131 787226873 /nfs/dbraw/zinc/22/68/73/787226873.db2.gz JMYQJZQZDUIUJX-SDBXPKJASA-N -1 1 347.362 2.019 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000911104595 787244662 /nfs/dbraw/zinc/24/46/62/787244662.db2.gz YADRYAHFGNOVBP-UKRRQHHQSA-N -1 1 334.416 2.059 20 0 EEADMM O=C([C@@H]1CCCC[C@@H]1c1ccccc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000823190544 787602479 /nfs/dbraw/zinc/60/24/79/787602479.db2.gz IRVMBDGWXFXGRX-OAGGEKHMSA-N -1 1 341.415 2.074 20 0 EEADMM CSCC[C@H](NC(=O)Cc1cccc(Cl)c1)c1nn[n-]n1 ZINC000912859799 788416736 /nfs/dbraw/zinc/41/67/36/788416736.db2.gz CIASGUUDWIFMRB-NSHDSACASA-N -1 1 325.825 2.006 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(F)cc1Cl)c1nn[n-]n1 ZINC000912859670 788416995 /nfs/dbraw/zinc/41/69/95/788416995.db2.gz CFTWVHMIWPJWKL-JTQLQIEISA-N -1 1 329.788 2.216 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(C(F)F)cc1)c1nn[n-]n1 ZINC000912860397 788418633 /nfs/dbraw/zinc/41/86/33/788418633.db2.gz OEDRTOQTSLGTES-JTQLQIEISA-N -1 1 327.360 2.362 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(F)c1 ZINC000825121509 788445770 /nfs/dbraw/zinc/44/57/70/788445770.db2.gz SGTRWMORAOREFP-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(F)c1 ZINC000825121509 788445780 /nfs/dbraw/zinc/44/57/80/788445780.db2.gz SGTRWMORAOREFP-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CCCc1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)n[nH]1 ZINC000844158968 788903762 /nfs/dbraw/zinc/90/37/62/788903762.db2.gz ZQVZRKYJAPKHNH-GOSISDBHSA-N -1 1 327.384 2.231 20 0 EEADMM CC1CCN(c2cccc(NC(=O)Cc3sc(N)nc3[O-])c2)CC1 ZINC000080417325 789118641 /nfs/dbraw/zinc/11/86/41/789118641.db2.gz MROQHVWEGOPRMK-CQSZACIVSA-N -1 1 346.456 2.208 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCN(c2cccc(O)c2)CC1 ZINC000923251769 789219984 /nfs/dbraw/zinc/21/99/84/789219984.db2.gz TUAJOKGVRWEXTD-UHFFFAOYSA-N -1 1 342.395 2.291 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060268522 789288252 /nfs/dbraw/zinc/28/82/52/789288252.db2.gz ZSIVJTNRJDPJGQ-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(F)c2)o1 ZINC000056284126 789366284 /nfs/dbraw/zinc/36/62/84/789366284.db2.gz LTVZGNFUUPRVFU-VIFPVBQESA-N -1 1 327.333 2.245 20 0 EEADMM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000923469010 789621813 /nfs/dbraw/zinc/62/18/13/789621813.db2.gz SFFUJIBNKICROS-CXAGYDPISA-N -1 1 329.404 2.300 20 0 EEADMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC000923528560 789724188 /nfs/dbraw/zinc/72/41/88/789724188.db2.gz FMVTUUIZWXDUHZ-TUKIKUTGSA-N -1 1 346.427 2.448 20 0 EEADMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC000923528560 789724196 /nfs/dbraw/zinc/72/41/96/789724196.db2.gz FMVTUUIZWXDUHZ-TUKIKUTGSA-N -1 1 346.427 2.448 20 0 EEADMM COc1ccc(CN2CC(NC(=O)c3ncccc3[O-])C2)cc1Cl ZINC001030241567 789865258 /nfs/dbraw/zinc/86/52/58/789865258.db2.gz HUHFFFINZZOBPV-UHFFFAOYSA-N -1 1 347.802 2.063 20 0 EEADMM C[C@H](OCc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000046352121 789994867 /nfs/dbraw/zinc/99/48/67/789994867.db2.gz CTLNNPFPTXMWPT-AWEZNQCLSA-N -1 1 341.363 2.092 20 0 EEADMM [O-]c1cc(F)c(CN2CCn3cc(Cn4cccn4)nc3C2)cc1F ZINC001144651395 790008320 /nfs/dbraw/zinc/00/83/20/790008320.db2.gz PEQJNJVPBBNBKM-UHFFFAOYSA-N -1 1 345.353 2.128 20 0 EEADMM CCC1(C(=O)OCCc2c(C)nc(-c3ccccn3)[n-]c2=O)COC1 ZINC000806018107 790070026 /nfs/dbraw/zinc/07/00/26/790070026.db2.gz QNSBEQQYLBBYOG-UHFFFAOYSA-N -1 1 343.383 2.065 20 0 EEADMM CC(C)c1nsc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001060856606 790116032 /nfs/dbraw/zinc/11/60/32/790116032.db2.gz MUCGWYWACPJFHJ-LLVKDONJSA-N -1 1 347.444 2.336 20 0 EEADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cnn(-c2ccccc2)n1 ZINC000046757965 790202054 /nfs/dbraw/zinc/20/20/54/790202054.db2.gz DBSQFIABNOTEGB-UHFFFAOYSA-N -1 1 349.379 2.433 20 0 EEADMM CC(=CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000172039726 791529365 /nfs/dbraw/zinc/52/93/65/791529365.db2.gz DRGPFDWXNMTBGF-FMIVXFBMSA-N -1 1 336.395 2.359 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H]1CCCCC1=O ZINC000062295072 791531308 /nfs/dbraw/zinc/53/13/08/791531308.db2.gz BVHAKSQVSWFTRI-AWEZNQCLSA-N -1 1 325.386 2.117 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNc1cc(F)ncn1 ZINC001063938272 792000694 /nfs/dbraw/zinc/00/06/94/792000694.db2.gz OBPCXRSJXNLYOE-NEPJUHHUSA-N -1 1 345.378 2.069 20 0 EEADMM CN(C)c1ccc(N2CCC(NC(=O)c3ncccc3[O-])CC2)cc1 ZINC000174261125 792052211 /nfs/dbraw/zinc/05/22/11/792052211.db2.gz GGAWHGNYHKNFTR-UHFFFAOYSA-N -1 1 340.427 2.252 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@](O)(CF)CC3)cc2)[n-]1 ZINC001148329796 792340697 /nfs/dbraw/zinc/34/06/97/792340697.db2.gz XADGHWDYHVUJPU-SFHVURJKSA-N -1 1 347.390 2.126 20 0 EEADMM Cc1cc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2ncccc2[O-])ncn1 ZINC001064171800 792592061 /nfs/dbraw/zinc/59/20/61/792592061.db2.gz QXSCSNDPZFLHGB-KBPBESRZSA-N -1 1 341.415 2.286 20 0 EEADMM CC(C)n1cnnc1-c1ccccc1NC(=O)CCCc1nn[n-]n1 ZINC001148884810 792789358 /nfs/dbraw/zinc/78/93/58/792789358.db2.gz IVYGATVYMXIUGR-UHFFFAOYSA-N -1 1 340.391 2.001 20 0 EEADMM O=C(COc1ccccc1F)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000010623512 792832828 /nfs/dbraw/zinc/83/28/28/792832828.db2.gz QCRNNIAXNYAAQE-UHFFFAOYSA-N -1 1 338.722 2.025 20 0 EEADMM C[C@H](C[C@@H](C)Nc1cncc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001089272736 793928674 /nfs/dbraw/zinc/92/86/74/793928674.db2.gz QOLAORGBQZRFKL-NXEZZACHSA-N -1 1 335.795 2.240 20 0 EEADMM C[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1cn(C)c2ccccc12 ZINC000913744576 794210547 /nfs/dbraw/zinc/21/05/47/794210547.db2.gz UQXYPROKNHHCCM-LBPRGKRZSA-N -1 1 338.415 2.201 20 0 EEADMM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccc2[O-])C=CCC1 ZINC000999399329 794384773 /nfs/dbraw/zinc/38/47/73/794384773.db2.gz YUEBUJBHWURAFS-BZIRYSOJSA-N -1 1 341.411 2.005 20 0 EEADMM C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)C1=CCCC1 ZINC001079564833 794977395 /nfs/dbraw/zinc/97/73/95/794977395.db2.gz WIWGIJZTZBTEBC-MLGOLLRUSA-N -1 1 342.443 2.106 20 0 EEADMM Cc1nc(Cl)cc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106295975 795359981 /nfs/dbraw/zinc/35/99/81/795359981.db2.gz DQHODZPVEVGLJL-SECBINFHSA-N -1 1 335.795 2.160 20 0 EEADMM Cc1csc(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000946532823 795524697 /nfs/dbraw/zinc/52/46/97/795524697.db2.gz DLTPXLGHLYWZTQ-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM CSc1nc(CNC(=O)Cc2c[nH]c3ccc(F)cc23)cc(=O)[n-]1 ZINC001143612667 795632967 /nfs/dbraw/zinc/63/29/67/795632967.db2.gz JQEVRQBYQDQCHR-UHFFFAOYSA-N -1 1 346.387 2.383 20 0 EEADMM CC[C@H](CO)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000781102018 795700891 /nfs/dbraw/zinc/70/08/91/795700891.db2.gz WHOSNOOHTPFQSF-GFCCVEGCSA-N -1 1 334.416 2.412 20 0 EEADMM Nc1cc(Cl)ccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000916587878 797660516 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CCCn1nc(C)cc1Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001175807025 798249917 /nfs/dbraw/zinc/24/99/17/798249917.db2.gz IUZLQWYYLSXBTB-UHFFFAOYSA-N -1 1 338.389 2.317 20 0 EEADMM Cc1ccc(S(=O)(=O)N2CCC(=Nc3ncccc3[O-])CC2)cc1 ZINC001176645445 798513471 /nfs/dbraw/zinc/51/34/71/798513471.db2.gz KPDVJYAJAKTOCD-UHFFFAOYSA-N -1 1 345.424 2.486 20 0 EEADMM CC/C=C/CCN1CCO[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001176982757 798672708 /nfs/dbraw/zinc/67/27/08/798672708.db2.gz INTKOTIBBSOXFS-GILVVUIESA-N -1 1 345.443 2.059 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)Cn2nccc2C)c1 ZINC001177050959 798715975 /nfs/dbraw/zinc/71/59/75/798715975.db2.gz CBEREDPKSFBOMJ-UHFFFAOYSA-N -1 1 340.177 2.307 20 0 EEADMM CON(C)C(=O)c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480706 798856698 /nfs/dbraw/zinc/85/66/98/798856698.db2.gz DEEBGBAZPJPZKZ-UHFFFAOYSA-N -1 1 326.312 2.138 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065997615 799857270 /nfs/dbraw/zinc/85/72/70/799857270.db2.gz 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COCCCn1c(C)cc(C(=O)CN2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C ZINC001599229201 997815865 /nfs/dbraw/zinc/81/58/65/997815865.db2.gz FVYYALUGPXETRW-DZGCQCFKSA-N -1 1 336.432 2.119 20 0 EEADMM COC(=O)c1cc(COC(=O)CN2[C@H](C)CC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001598934668 997840429 /nfs/dbraw/zinc/84/04/29/997840429.db2.gz OIEQNSCHMBYKJN-TXEJJXNPSA-N -1 1 349.383 2.087 20 0 EEADMM COc1ccc(CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)cc1C(=O)[O-] ZINC001599569151 998337447 /nfs/dbraw/zinc/33/74/47/998337447.db2.gz GVFFSMUSEUWNAL-JTQLQIEISA-N -1 1 343.383 2.171 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@](C)(CC(=O)[O-])c3ccncc3)c2C1 ZINC001594449031 999645635 /nfs/dbraw/zinc/64/56/35/999645635.db2.gz YEEIBRZTBSJISI-BBATYDOGSA-N -1 1 342.399 2.049 20 0 EEADMM O=C(C[C@@H]1C[C@@H]1Cc1ccccc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001553127237 1125556787 /nfs/dbraw/zinc/55/67/87/1125556787.db2.gz LCPOGURNGNESSB-PMPSAXMXSA-N -1 1 325.416 2.175 20 0 EEADMM CC(C)(C)N1C[C@@H](NC(=O)c2ncc3ccccc3c2[O-])CC1=O ZINC001445394745 1091139756 /nfs/dbraw/zinc/13/97/56/1091139756.db2.gz WFCPFAMLJMEQCX-LBPRGKRZSA-N -1 1 327.384 2.070 20 0 EEADMM CCC(CC)(NC(=O)c1cc(-c2ccccc2)on1)c1nn[n-]n1 ZINC001449014523 1094017561 /nfs/dbraw/zinc/01/75/61/1094017561.db2.gz JEMUSBSYHJLHFF-UHFFFAOYSA-N -1 1 326.360 2.300 20 0 EEADMM O=C(CCCC1CCCC1)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001450599464 1094926990 /nfs/dbraw/zinc/92/69/90/1094926990.db2.gz NYTJFXHDAIPOBU-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@H](CNC(C)=O)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001443141615 1097570939 /nfs/dbraw/zinc/57/09/39/1097570939.db2.gz PEYMTHCZEGFOGO-CYBMUJFWSA-N -1 1 336.436 2.039 20 0 EEADMM CC(C)CC1(C(=O)NC[C@H](NCc2n[nH]c(=O)[n-]2)C2CC2)CCCC1 ZINC001480052226 1099565410 /nfs/dbraw/zinc/56/54/10/1099565410.db2.gz AVKJNGRLOXADCC-AWEZNQCLSA-N -1 1 349.479 2.101 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc2occc2s1 ZINC001495973336 1101864387 /nfs/dbraw/zinc/86/43/87/1101864387.db2.gz YGIPHBYYXLVGOW-UHFFFAOYSA-N -1 1 345.380 2.097 20 0 EEADMM CCC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)CCCC1 ZINC001453537762 1106288348 /nfs/dbraw/zinc/28/83/48/1106288348.db2.gz FXEGBBNWQJRNLJ-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCCC1(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001454458594 1107259140 /nfs/dbraw/zinc/25/91/40/1107259140.db2.gz CZSSLTYCGNLQLJ-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CCCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])CCC1 ZINC001498750483 1108025045 /nfs/dbraw/zinc/02/50/45/1108025045.db2.gz GOLPPSVJKAZWNS-KBPBESRZSA-N -1 1 343.427 2.183 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001455995615 1109044297 /nfs/dbraw/zinc/04/42/97/1109044297.db2.gz FKUBIOCDXCDCPH-CQSZACIVSA-N -1 1 343.383 2.147 20 0 EEADMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c[n-][nH]c1=O ZINC001457821126 1109779414 /nfs/dbraw/zinc/77/94/14/1109779414.db2.gz IBDMRFSFBQNAPP-ZDUSSCGKSA-N -1 1 346.387 2.395 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CC(=O)c3ccccc32)c1 ZINC001463411604 1110373294 /nfs/dbraw/zinc/37/32/94/1110373294.db2.gz LZFAQPWHSXXYTQ-CYBMUJFWSA-N -1 1 333.365 2.007 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc(OCc2ccccc2)nc1 ZINC001464311287 1110391595 /nfs/dbraw/zinc/39/15/95/1110391595.db2.gz RUNRAGZYWAAOTL-UHFFFAOYSA-N -1 1 338.371 2.135 20 0 EEADMM COc1cccc(C2=CCN(C(=O)c3cnc(SC)[n-]c3=O)C2)c1 ZINC001466367898 1110434646 /nfs/dbraw/zinc/43/46/46/1110434646.db2.gz LNMKLTYYJVKDHG-UHFFFAOYSA-N -1 1 343.408 2.452 20 0 EEADMM O=C(CCC1CCCC1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001500066713 1112600858 /nfs/dbraw/zinc/60/08/58/1112600858.db2.gz AWTUDVDPMQQJRS-OAHLLOKOSA-N -1 1 349.479 2.245 20 0 EEADMM CCC1(C(=O)N(C)[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CCCCC1 ZINC001507036786 1115073530 /nfs/dbraw/zinc/07/35/30/1115073530.db2.gz PEOJCJPNNPBIOZ-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM CCCC[C@@H](CNC(=O)[C@H](F)C(C)C)NC(=O)c1ncccc1[O-] ZINC001509317210 1115797249 /nfs/dbraw/zinc/79/72/49/1115797249.db2.gz VBMMDLBKJCZAQR-GXTWGEPZSA-N -1 1 339.411 2.186 20 0 EEADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1scc2c1OCCO2 ZINC001517204010 1119027392 /nfs/dbraw/zinc/02/73/92/1119027392.db2.gz JPLCLLLAVZWOBM-UHFFFAOYSA-N -1 1 342.380 2.411 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CCCC1 ZINC001527526201 1120811207 /nfs/dbraw/zinc/81/12/07/1120811207.db2.gz YALUXBAIZRNAMC-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001528063734 1120938208 /nfs/dbraw/zinc/93/82/08/1120938208.db2.gz JFFLRLCEGGGRFJ-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001528458623 1121023482 /nfs/dbraw/zinc/02/34/82/1121023482.db2.gz RQPVOMFXPXYMAP-SECBINFHSA-N -1 1 333.438 2.399 20 0 EEADMM CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC001548984890 1121038424 /nfs/dbraw/zinc/03/84/24/1121038424.db2.gz RFLVGZPQAMFMKA-DOMZBBRYSA-N -1 1 333.363 2.473 20 0 EEADMM O=C([O-])[C@H]1CN(Cc2nc(Cc3ccccc3)no2)C[C@@H]1C1CC1 ZINC001549115834 1121118635 /nfs/dbraw/zinc/11/86/35/1121118635.db2.gz DKIOFJGDBHPSEN-CABCVRRESA-N -1 1 327.384 2.203 20 0 EEADMM O=C([O-])[C@@]12COC[C@H]1CN(Cc1ccn(-c3ccc(Cl)cc3)n1)C2 ZINC001549283831 1121189726 /nfs/dbraw/zinc/18/97/26/1121189726.db2.gz OWFFFOFCBKTAAC-PXAZEXFGSA-N -1 1 347.802 2.059 20 0 EEADMM O=C(c1c[n-]c2c(F)ccc(F)c2c1=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC001549511723 1121312690 /nfs/dbraw/zinc/31/26/90/1121312690.db2.gz CZGZKMIKWOAPKG-HBNTYKKESA-N -1 1 348.349 2.039 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(F)c(F)c1)NC(=O)c1ncccc1[O-] ZINC001531252286 1122332743 /nfs/dbraw/zinc/33/27/43/1122332743.db2.gz RGKHUHAGMMJTDD-LLVKDONJSA-N -1 1 349.337 2.004 20 0 EEADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cnncc1[O-] ZINC001550846623 1124138337 /nfs/dbraw/zinc/13/83/37/1124138337.db2.gz NXAAUIOYPOOQKP-HNNXBMFYSA-N -1 1 331.347 2.314 20 0 EEADMM CC(C)n1cc([C@H]2CN(C(=O)c3ccc([O-])cc3F)C[C@@H]2CO)cn1 ZINC001548522361 1124320442 /nfs/dbraw/zinc/32/04/42/1124320442.db2.gz MHANRRMPBJHBJP-CZUORRHYSA-N -1 1 347.390 2.157 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1c2ccc(F)cc2O[C@H]1C ZINC001548704919 1124446049 /nfs/dbraw/zinc/44/60/49/1124446049.db2.gz HGGPQSKLQBUMHB-MADCSZMMSA-N -1 1 335.360 2.170 20 0 EEADMM O=C(c1occc1-c1ccc(F)cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548763874 1124486632 /nfs/dbraw/zinc/48/66/32/1124486632.db2.gz LKBQECNCDRBYCP-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548763304 1124486812 /nfs/dbraw/zinc/48/68/12/1124486812.db2.gz GMXQMXPSIVCVNY-GFCCVEGCSA-N -1 1 333.823 2.438 20 0 EEADMM O=C(N1CC[C@H](c2nn[n-]n2)C1)C1(Cc2ccc(Cl)cc2)CC1 ZINC001548766014 1124489335 /nfs/dbraw/zinc/48/93/35/1124489335.db2.gz USLVMBFADUCDNN-LBPRGKRZSA-N -1 1 331.807 2.192 20 0 EEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H](CCO)C1 ZINC000051894164 214108101 /nfs/dbraw/zinc/10/81/01/214108101.db2.gz YIYSMKFAJLPCBV-JTQLQIEISA-N -1 1 328.206 2.389 20 0 EEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(F)c3)cc2[nH]1 ZINC000055619670 214334428 /nfs/dbraw/zinc/33/44/28/214334428.db2.gz HMSMMHQMXLDWHH-UHFFFAOYSA-N -1 1 341.751 2.450 20 0 EEADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CCO1 ZINC000182984361 529436201 /nfs/dbraw/zinc/43/62/01/529436201.db2.gz NPFNTKHKYHBMCC-ZYHUDNBSSA-N -1 1 344.408 2.341 20 0 EEADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000416154198 529539117 /nfs/dbraw/zinc/53/91/17/529539117.db2.gz IIYLYKJZNSOVNG-ZDUSSCGKSA-N -1 1 345.399 2.298 20 0 EEADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081746563 539356310 /nfs/dbraw/zinc/35/63/10/539356310.db2.gz CNZGWITZVAMHPV-MRVPVSSYSA-N -1 1 332.404 2.472 20 0 EEADMM Cc1noc([N-]C(=O)c2nnn(-c3cccc4cnccc43)c2C)n1 ZINC000108781202 282405024 /nfs/dbraw/zinc/40/50/24/282405024.db2.gz AAMCCGDAYYVQOK-UHFFFAOYSA-N -1 1 335.327 2.068 20 0 EEADMM COc1ccc(CCC(=O)NCc2n[n-]c(=S)n2C)cc1Cl ZINC000066625260 215061409 /nfs/dbraw/zinc/06/14/09/215061409.db2.gz YFTDZFLWOBQWQA-UHFFFAOYSA-N -1 1 340.836 2.389 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(N)=O)cc2)cc1F ZINC000067124128 215115789 /nfs/dbraw/zinc/11/57/89/215115789.db2.gz IJKZNAUEDXFNTP-UHFFFAOYSA-N -1 1 337.376 2.103 20 0 EEADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1S(N)(=O)=O ZINC000350817873 539878657 /nfs/dbraw/zinc/87/86/57/539878657.db2.gz YMMYJVWDNTYBMY-UHFFFAOYSA-N -1 1 349.343 2.204 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(F)c1C)c1ccco1 ZINC000181710283 234295961 /nfs/dbraw/zinc/29/59/61/234295961.db2.gz BJOFAXPCOYYXTL-LLVKDONJSA-N -1 1 343.376 2.402 20 0 EEADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cn1 ZINC000036353401 213087824 /nfs/dbraw/zinc/08/78/24/213087824.db2.gz MLUFIAJRPNRCIS-UHFFFAOYSA-N -1 1 349.412 2.457 20 0 EEADMM O=C(N[C@H]1CCC[C@H]1CCO)c1cc(Br)ccc1[O-] ZINC000187798854 236303290 /nfs/dbraw/zinc/30/32/90/236303290.db2.gz NMVJWJCTWHPJTJ-CABZTGNLSA-N -1 1 328.206 2.436 20 0 EEADMM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(O)cc1[O-] ZINC000192778714 237334805 /nfs/dbraw/zinc/33/48/05/237334805.db2.gz CIGLKPHUYOOFFP-UHFFFAOYSA-N -1 1 337.339 2.339 20 0 EEADMM CN(C)C(=O)N1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000129541353 223067176 /nfs/dbraw/zinc/06/71/76/223067176.db2.gz WKPGPARUFIUENO-UHFFFAOYSA-N -1 1 325.796 2.378 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000416134846 239074895 /nfs/dbraw/zinc/07/48/95/239074895.db2.gz JYFZYIJRCXWOQR-ZETCQYMHSA-N -1 1 339.298 2.008 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)nc1)c1cc(C)cc(C)c1 ZINC000447758665 242312242 /nfs/dbraw/zinc/31/22/42/242312242.db2.gz NIXDFWKDZFDGHF-INIZCTEOSA-N -1 1 348.424 2.199 20 0 EEADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C[C@@H](C)O1 ZINC000111015029 220092527 /nfs/dbraw/zinc/09/25/27/220092527.db2.gz SUDMZAOCAHRRIZ-BXUZGUMPSA-N -1 1 346.431 2.010 20 0 EEADMM Cc1ncsc1CN(C)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000081689966 217436038 /nfs/dbraw/zinc/43/60/38/217436038.db2.gz KKIFKAYYRQTWTE-UHFFFAOYSA-N -1 1 334.445 2.413 20 0 EEADMM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)C1CC1 ZINC000264190764 246161423 /nfs/dbraw/zinc/16/14/23/246161423.db2.gz OOJOMUGGTPEJHW-QWRGUYRKSA-N -1 1 328.434 2.227 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1cncc([O-])c1)C(=O)OC(C)(C)C ZINC000266476435 248320546 /nfs/dbraw/zinc/32/05/46/248320546.db2.gz CVEMNMZHFKABGP-CYBMUJFWSA-N -1 1 335.404 2.259 20 0 EEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000269020090 255514982 /nfs/dbraw/zinc/51/49/82/255514982.db2.gz JQVKHTXPUPSYJX-GFCCVEGCSA-N -1 1 335.379 2.398 20 0 EEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(F)ccc1[O-] ZINC000094015679 255761176 /nfs/dbraw/zinc/76/11/76/255761176.db2.gz KPYRSEMYMQSHJP-UHFFFAOYSA-N -1 1 344.342 2.256 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1nc(C2CCCCC2)no1 ZINC000267650534 256076084 /nfs/dbraw/zinc/07/60/84/256076084.db2.gz AGEFWJHUZJOSIR-SNVBAGLBSA-N -1 1 340.405 2.286 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000118375488 221144161 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ZINC000738566236 578019627 /nfs/dbraw/zinc/01/96/27/578019627.db2.gz BLMDPOGZGMCCOU-HNNXBMFYSA-N -1 1 343.383 2.248 20 0 EEADMM Cc1nn(C)c2ncc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)cc12 ZINC000738918328 578031053 /nfs/dbraw/zinc/03/10/53/578031053.db2.gz LSKZPLGWULCWOC-OAHLLOKOSA-N -1 1 346.337 2.470 20 0 EEADMM Cn1c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)nnc1-c1ccccc1 ZINC000739014586 578035092 /nfs/dbraw/zinc/03/50/92/578035092.db2.gz QJYRZTHPUHEMFP-CQSZACIVSA-N -1 1 326.400 2.169 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)s1 ZINC000739216428 578044269 /nfs/dbraw/zinc/04/42/69/578044269.db2.gz NBJQWJXCEXDWGK-UHFFFAOYSA-N -1 1 338.429 2.420 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC13CC4CC(CC(C4)C1)C3)CC2 ZINC000739277920 578046654 /nfs/dbraw/zinc/04/66/54/578046654.db2.gz KWVJXHOPWFZGGN-OCABNYQQSA-N -1 1 346.471 2.258 20 0 EEADMM C[C@@H](CCO)SCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000741733510 578123282 /nfs/dbraw/zinc/12/32/82/578123282.db2.gz VNRVUBPFQZTWPG-VIFPVBQESA-N -1 1 333.356 2.049 20 0 EEADMM C[C@H](O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736150206 578183467 /nfs/dbraw/zinc/18/34/67/578183467.db2.gz XTKJFTSMACOUHD-NSHDSACASA-N -1 1 347.382 2.475 20 0 EEADMM C[C@H](O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736150206 578183468 /nfs/dbraw/zinc/18/34/68/578183468.db2.gz XTKJFTSMACOUHD-NSHDSACASA-N -1 1 347.382 2.475 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1-c1ccccc1 ZINC000736206794 578187243 /nfs/dbraw/zinc/18/72/43/578187243.db2.gz FKSNEJKDIOWJGG-CQSZACIVSA-N -1 1 326.396 2.375 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736231038 578188700 /nfs/dbraw/zinc/18/87/00/578188700.db2.gz AVIABLAVAYEYCA-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736231038 578188701 /nfs/dbraw/zinc/18/87/01/578188701.db2.gz AVIABLAVAYEYCA-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)on1 ZINC000736351509 578198313 /nfs/dbraw/zinc/19/83/13/578198313.db2.gz QVRIICSFRCDBFU-UHFFFAOYSA-N -1 1 341.375 2.083 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)on1 ZINC000736351509 578198314 /nfs/dbraw/zinc/19/83/14/578198314.db2.gz QVRIICSFRCDBFU-UHFFFAOYSA-N -1 1 341.375 2.083 20 0 EEADMM C[C@@H](CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000736571093 578212278 /nfs/dbraw/zinc/21/22/78/578212278.db2.gz IBNYVIZOSHUKEH-NSHDSACASA-N -1 1 333.413 2.401 20 0 EEADMM CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(=O)[O-])NC(=S)N1 ZINC000736745565 578221364 /nfs/dbraw/zinc/22/13/64/578221364.db2.gz DLPONDREFMPTTH-ZDUSSCGKSA-N -1 1 334.397 2.129 20 0 EEADMM CCOCCN1CCN(c2nc(Cl)c(C(=O)[O-])s2)C[C@H]1CC ZINC000737177423 578242278 /nfs/dbraw/zinc/24/22/78/578242278.db2.gz NQJJIGOEWBNYAN-SNVBAGLBSA-N -1 1 347.868 2.432 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000737357815 578252385 /nfs/dbraw/zinc/25/23/85/578252385.db2.gz FCGNCURTDZUTCV-IJEWVQPXSA-N -1 1 336.407 2.436 20 0 EEADMM FC(F)(F)COc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000737625532 578267234 /nfs/dbraw/zinc/26/72/34/578267234.db2.gz BNAVFDDPHRUCME-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000737625532 578267235 /nfs/dbraw/zinc/26/72/35/578267235.db2.gz BNAVFDDPHRUCME-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)NC(C)(C)CCC(=O)[O-])CC1 ZINC000818482367 596945586 /nfs/dbraw/zinc/94/55/86/596945586.db2.gz PIOOTUDPPANFGR-UHFFFAOYSA-N -1 1 348.447 2.203 20 0 EEADMM CC(C)[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000820041800 598188783 /nfs/dbraw/zinc/18/87/83/598188783.db2.gz RMDJVVGQGBKXIP-ZUZCIYMTSA-N -1 1 328.359 2.183 20 0 EEADMM CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000820386920 598188887 /nfs/dbraw/zinc/18/88/87/598188887.db2.gz AHLPLHCRQJDLRI-SJLPKXTDSA-N -1 1 348.443 2.448 20 0 EEADMM CC(C)Cn1ccnc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820108901 599580698 /nfs/dbraw/zinc/58/06/98/599580698.db2.gz TZRNMPJICRZYTR-UHFFFAOYSA-N -1 1 349.402 2.275 20 0 EEADMM CC(C)Cn1ccnc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820108901 599580700 /nfs/dbraw/zinc/58/07/00/599580700.db2.gz TZRNMPJICRZYTR-UHFFFAOYSA-N -1 1 349.402 2.275 20 0 EEADMM COc1cccc([C@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821864417 599583336 /nfs/dbraw/zinc/58/33/36/599583336.db2.gz YUVBNBXDLKTDMY-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM COc1cccc([C@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821864417 599583338 /nfs/dbraw/zinc/58/33/38/599583338.db2.gz YUVBNBXDLKTDMY-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001600109091 970763615 /nfs/dbraw/zinc/76/36/15/970763615.db2.gz IDRDURYXPBOBAJ-OAHLLOKOSA-N -1 1 336.351 2.331 20 0 EEADMM CN(CCN1CCOCC1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830785233 601008308 /nfs/dbraw/zinc/00/83/08/601008308.db2.gz NXOBYDCWMDRFCN-AWEZNQCLSA-N -1 1 347.242 2.383 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000832891752 601031532 /nfs/dbraw/zinc/03/15/32/601031532.db2.gz YKCXWPWMKACLKD-LJQANCHMSA-N -1 1 345.443 2.377 20 0 EEADMM C[C@](NCC(=O)Nc1ccc(N2CCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000827727210 601031917 /nfs/dbraw/zinc/03/19/17/601031917.db2.gz HAXRUCYMOZLQMP-GOSISDBHSA-N -1 1 331.416 2.068 20 0 EEADMM CN(C)[C@@H](CNC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830580697 601108579 /nfs/dbraw/zinc/10/85/79/601108579.db2.gz JLQXJTXIYFOIHD-ZDUSSCGKSA-N -1 1 344.864 2.267 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000827369264 601127310 /nfs/dbraw/zinc/12/73/10/601127310.db2.gz SRMXQLUKRJHYPZ-LLVKDONJSA-N -1 1 348.428 2.309 20 0 EEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832589581 601175898 /nfs/dbraw/zinc/17/58/98/601175898.db2.gz RJMBJXBOFWIHIZ-XIKOKIGWSA-N -1 1 334.416 2.058 20 0 EEADMM CCOC(=O)CCN(Cn1nc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000829847589 601398908 /nfs/dbraw/zinc/39/89/08/601398908.db2.gz KRSCHFUEXBXWNU-UHFFFAOYSA-N -1 1 331.372 2.110 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000833099794 601448655 /nfs/dbraw/zinc/44/86/55/601448655.db2.gz HTDKCLSMSGSKBM-CQSZACIVSA-N -1 1 332.734 2.306 20 0 EEADMM COCCCn1c(=O)[nH]nc1SCc1ccc(C(=O)[O-])c(F)c1 ZINC000831705195 601621851 /nfs/dbraw/zinc/62/18/51/601621851.db2.gz AUTMTXWHUTXDHL-UHFFFAOYSA-N -1 1 341.364 2.150 20 0 EEADMM CC1(C)Cc2cc(S(=O)(=O)Nc3cnccc3C(=O)[O-])ccc2O1 ZINC000828082263 601794858 /nfs/dbraw/zinc/79/48/58/601794858.db2.gz MMXXIVUWKCGWOQ-UHFFFAOYSA-N -1 1 348.380 2.294 20 0 EEADMM COC(=O)C[C@H]1CSCCN1Cc1cc(C(=O)[O-])sc1C ZINC000831147585 601894333 /nfs/dbraw/zinc/89/43/33/601894333.db2.gz FKNLSTIEZCLMLC-NSHDSACASA-N -1 1 329.443 2.235 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000828024732 601940891 /nfs/dbraw/zinc/94/08/91/601940891.db2.gz UMFPUEBTFIYZAM-HNNXBMFYSA-N -1 1 337.376 2.171 20 0 EEADMM O=C([O-])[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1cc(F)ccc1F ZINC000833126658 602026027 /nfs/dbraw/zinc/02/60/27/602026027.db2.gz ZLUCMEGDISAKBE-XPTSAGLGSA-N -1 1 335.310 2.050 20 0 EEADMM COc1cccc([C@H](CNC(=O)[C@@H](C)CC(=O)[O-])N2CCCC2)c1 ZINC000832533126 602075280 /nfs/dbraw/zinc/07/52/80/602075280.db2.gz IMNRZJIQRUJOIJ-BBRMVZONSA-N -1 1 334.416 2.059 20 0 EEADMM CC(=O)c1c(C)nc(C)nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000824009915 607543480 /nfs/dbraw/zinc/54/34/80/607543480.db2.gz FHICUGYASHVACL-UHFFFAOYSA-N -1 1 341.400 2.163 20 0 EEADMM CC(=O)c1c(C)nc(C)nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000824009915 607543482 /nfs/dbraw/zinc/54/34/82/607543482.db2.gz FHICUGYASHVACL-UHFFFAOYSA-N -1 1 341.400 2.163 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccccc1 ZINC000826467498 607599655 /nfs/dbraw/zinc/59/96/55/607599655.db2.gz ZBZJAKDTTAWUAW-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc2ncccc21 ZINC000826467474 607599885 /nfs/dbraw/zinc/59/98/85/607599885.db2.gz XVAAPQFGSBZCEZ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc2ncccc21 ZINC000826467474 607599886 /nfs/dbraw/zinc/59/98/86/607599886.db2.gz XVAAPQFGSBZCEZ-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM C/C(=C\COC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000825764468 604603279 /nfs/dbraw/zinc/60/32/79/604603279.db2.gz FSDQTDRXHHSBBG-YRNVUSSQSA-N -1 1 347.396 2.446 20 0 EEADMM CN(C)Cc1ccsc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833689399 604616175 /nfs/dbraw/zinc/61/61/75/604616175.db2.gz ABKIIBWMWMXNHB-UHFFFAOYSA-N -1 1 332.425 2.480 20 0 EEADMM CN1CCCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000830941137 604780876 /nfs/dbraw/zinc/78/08/76/604780876.db2.gz SSBHCIIOUMFIPX-KRWDZBQOSA-N -1 1 345.443 2.272 20 0 EEADMM Cc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826298569 607718695 /nfs/dbraw/zinc/71/86/95/607718695.db2.gz ZFTPXWANNNIOFN-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM CCOc1c(OC)cc(CN[C@H](C(=O)[O-])c2cccnc2)cc1OC ZINC000830026743 604997477 /nfs/dbraw/zinc/99/74/77/604997477.db2.gz BGNSJFWSBQLZLG-INIZCTEOSA-N -1 1 346.383 2.413 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000833512085 605023149 /nfs/dbraw/zinc/02/31/49/605023149.db2.gz HFUFPIMKLNNMKX-LLVKDONJSA-N -1 1 330.388 2.436 20 0 EEADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000833547822 605049410 /nfs/dbraw/zinc/04/94/10/605049410.db2.gz XQEWBKXUDPRGHH-NSHDSACASA-N -1 1 342.351 2.267 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccc(F)c1 ZINC000833383384 605097009 /nfs/dbraw/zinc/09/70/09/605097009.db2.gz SLPZLOVCMWOGQE-QLKUMGTLSA-N -1 1 334.391 2.236 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(OC)cc1 ZINC000833636009 605112384 /nfs/dbraw/zinc/11/23/84/605112384.db2.gz DLGFZHZXJHAJRQ-RHSMWYFYSA-N -1 1 348.443 2.196 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OC1CCC1 ZINC000833627606 605156145 /nfs/dbraw/zinc/15/61/45/605156145.db2.gz ZMUSIWHCEPPINE-AWEZNQCLSA-N -1 1 346.427 2.239 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000833625745 605162406 /nfs/dbraw/zinc/16/24/06/605162406.db2.gz XSGGQHDRXZAONF-MRXNPFEDSA-N -1 1 344.455 2.407 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCC1 ZINC000833622502 605164880 /nfs/dbraw/zinc/16/48/80/605164880.db2.gz PTHZCGVNNAPCAC-OAHLLOKOSA-N -1 1 330.428 2.116 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@H](C)[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000833715138 605212898 /nfs/dbraw/zinc/21/28/98/605212898.db2.gz PCLXQRCNXGHROF-RYUDHWBXSA-N -1 1 348.399 2.088 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-c2cnco2)cc1 ZINC000823294920 606196636 /nfs/dbraw/zinc/19/66/36/606196636.db2.gz XRLQJOAVAVAJAN-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC000820021837 606276382 /nfs/dbraw/zinc/27/63/82/606276382.db2.gz ZIYNUDMONNENBJ-GFCCVEGCSA-N -1 1 342.428 2.493 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC000820021837 606276384 /nfs/dbraw/zinc/27/63/84/606276384.db2.gz ZIYNUDMONNENBJ-GFCCVEGCSA-N -1 1 342.428 2.493 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1cccc(Cn2cncn2)c1 ZINC000823752360 606420916 /nfs/dbraw/zinc/42/09/16/606420916.db2.gz YWZZTIFTCFUVPI-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM O=C(Nc1cccnc1N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823372817 606512237 /nfs/dbraw/zinc/51/22/37/606512237.db2.gz LGWHDCCHUNVXAN-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM O=C(Nc1cccnc1N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823372817 606512236 /nfs/dbraw/zinc/51/22/36/606512236.db2.gz LGWHDCCHUNVXAN-UHFFFAOYSA-N -1 1 341.400 2.176 20 0 EEADMM CCCCC[C@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825265731 607865966 /nfs/dbraw/zinc/86/59/66/607865966.db2.gz AJWZHVZYOKPOQP-NSHDSACASA-N -1 1 335.383 2.470 20 0 EEADMM CCCCC[C@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825265731 607865967 /nfs/dbraw/zinc/86/59/67/607865967.db2.gz AJWZHVZYOKPOQP-NSHDSACASA-N -1 1 335.383 2.470 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826505209 607875324 /nfs/dbraw/zinc/87/53/24/607875324.db2.gz PNMLUGCVKMJDIN-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826505209 607875325 /nfs/dbraw/zinc/87/53/25/607875325.db2.gz PNMLUGCVKMJDIN-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000824480571 608012609 /nfs/dbraw/zinc/01/26/09/608012609.db2.gz YQXCXFUFKXKPKG-GFCCVEGCSA-N -1 1 347.382 2.094 20 0 EEADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000824480571 608012610 /nfs/dbraw/zinc/01/26/10/608012610.db2.gz YQXCXFUFKXKPKG-GFCCVEGCSA-N -1 1 347.382 2.094 20 0 EEADMM Clc1cc(CSCCNc2nccnc2-c2nnn[n-]2)ccn1 ZINC000826350707 608212460 /nfs/dbraw/zinc/21/24/60/608212460.db2.gz HTKDNRABZVRSSG-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1cc(CSCCNc2nccnc2-c2nn[n-]n2)ccn1 ZINC000826350707 608212461 /nfs/dbraw/zinc/21/24/61/608212461.db2.gz HTKDNRABZVRSSG-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM O=C(OCc1ccc(F)c(-c2nn[nH]n2)c1)c1ccc([O-])cc1F ZINC000826465416 608322696 /nfs/dbraw/zinc/32/26/96/608322696.db2.gz MKMOTRAQXDLGQQ-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM Brc1ccccc1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC000823831932 608407879 /nfs/dbraw/zinc/40/78/79/608407879.db2.gz GOFOOGLVEQCEKL-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccccc1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC000823831932 608407880 /nfs/dbraw/zinc/40/78/80/608407880.db2.gz GOFOOGLVEQCEKL-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Cc1nc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)sc1C ZINC000826325130 608408754 /nfs/dbraw/zinc/40/87/54/608408754.db2.gz ODNVRMJTGOJHBE-UHFFFAOYSA-N -1 1 342.432 2.114 20 0 EEADMM Cc1nc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)sc1C ZINC000826325130 608408756 /nfs/dbraw/zinc/40/87/56/608408756.db2.gz ODNVRMJTGOJHBE-UHFFFAOYSA-N -1 1 342.432 2.114 20 0 EEADMM CC(C)(C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824094465 609362200 /nfs/dbraw/zinc/36/22/00/609362200.db2.gz WDIHTOYLFSHQFB-UHFFFAOYSA-N -1 1 344.354 2.112 20 0 EEADMM O=C(N[C@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426297 609407054 /nfs/dbraw/zinc/40/70/54/609407054.db2.gz KNMOWDPWMSCRBJ-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(N[C@H](CO)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426297 609407056 /nfs/dbraw/zinc/40/70/56/609407056.db2.gz KNMOWDPWMSCRBJ-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nccnc1-c1nnn[n-]1)CC3 ZINC000826293112 609434817 /nfs/dbraw/zinc/43/48/17/609434817.db2.gz BIEZDKMOXNLLMX-LLVKDONJSA-N -1 1 346.398 2.416 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1nccnc1-c1nn[n-]n1)CC3 ZINC000826293112 609434819 /nfs/dbraw/zinc/43/48/19/609434819.db2.gz BIEZDKMOXNLLMX-LLVKDONJSA-N -1 1 346.398 2.416 20 0 EEADMM O=C(Nc1cccc2c1OCCC2=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826457181 609603600 /nfs/dbraw/zinc/60/36/00/609603600.db2.gz OZRAKTUDKMJAGJ-UHFFFAOYSA-N -1 1 341.352 2.146 20 0 EEADMM O=C(Nc1cccc2c1OCCC2=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826457181 609603602 /nfs/dbraw/zinc/60/36/02/609603602.db2.gz OZRAKTUDKMJAGJ-UHFFFAOYSA-N -1 1 341.352 2.146 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CC12CCCC2 ZINC001020574912 675173235 /nfs/dbraw/zinc/17/32/35/675173235.db2.gz RGKSTNHMLFHUTJ-IHRRRGAJSA-N -1 1 343.427 2.087 20 0 EEADMM COc1cccc([C@H](CNC(=O)c2cc(C(=O)[O-])co2)N(C)C)c1 ZINC000325543760 675906239 /nfs/dbraw/zinc/90/62/39/675906239.db2.gz BZFPDLIEJXTIIR-AWEZNQCLSA-N -1 1 332.356 2.019 20 0 EEADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000891069749 676018790 /nfs/dbraw/zinc/01/87/90/676018790.db2.gz XNWIQJSUDZGFGA-NEPJUHHUSA-N -1 1 326.190 2.310 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1cscn1 ZINC000947236771 676034585 /nfs/dbraw/zinc/03/45/85/676034585.db2.gz WUAOBXHTYMBUGI-NWDGAFQWSA-N -1 1 332.429 2.027 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1CC(F)(F)C(F)F ZINC000947236894 676037210 /nfs/dbraw/zinc/03/72/10/676037210.db2.gz ZDIMJOKRUKZZCY-NXEZZACHSA-N -1 1 349.328 2.270 20 0 EEADMM C[C@@H](O)c1cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)ccc1F ZINC000804796264 675634994 /nfs/dbraw/zinc/63/49/94/675634994.db2.gz DKGICJDPKRJMIY-MRVPVSSYSA-N -1 1 332.360 2.463 20 0 EEADMM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c1 ZINC000160478219 676264040 /nfs/dbraw/zinc/26/40/40/676264040.db2.gz JXQAURJCLAURLO-UHFFFAOYSA-N -1 1 343.792 2.267 20 0 EEADMM O=C([N-]OCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000160814924 676465303 /nfs/dbraw/zinc/46/53/03/676465303.db2.gz XQDPGSMNHDFXKW-CYBMUJFWSA-N -1 1 345.786 2.336 20 0 EEADMM C[C@]1(Br)C[C@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614784 676721127 /nfs/dbraw/zinc/72/11/27/676721127.db2.gz NKORRPADYZQZHS-SDBXPKJASA-N -1 1 326.194 2.173 20 0 EEADMM C[C@@]1(C(=O)OCCC[N-]C(=O)C(F)(F)F)CCOc2ccccc21 ZINC000924421120 678366473 /nfs/dbraw/zinc/36/64/73/678366473.db2.gz STQLJEUAPKPUOZ-OAHLLOKOSA-N -1 1 345.317 2.339 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc3ccccc3o2)co1 ZINC000179338501 679806116 /nfs/dbraw/zinc/80/61/16/679806116.db2.gz AUUGDDKFMMEJMJ-UHFFFAOYSA-N -1 1 335.337 2.291 20 0 EEADMM COCc1nc(N[C@@H]2CCCN(C3CCCCC3)C2=O)cc(=O)[n-]1 ZINC000893395231 685358799 /nfs/dbraw/zinc/35/87/99/685358799.db2.gz MDAHCSRMAIDBBF-CYBMUJFWSA-N -1 1 334.420 2.064 20 0 EEADMM COc1cc[n-]c(=NNC(=O)N[C@H](C)Cc2ccccc2Cl)n1 ZINC000047116567 681216559 /nfs/dbraw/zinc/21/65/59/681216559.db2.gz ZNGYKOGJTSZULD-SNVBAGLBSA-N -1 1 335.795 2.396 20 0 EEADMM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000982949718 681561630 /nfs/dbraw/zinc/56/16/30/681561630.db2.gz DMLOSORTMKRCCY-CHWSQXEVSA-N -1 1 333.432 2.048 20 0 EEADMM Cc1oc(-c2cccs2)nc1C(=O)NCc1n[n-]c(=S)n1C ZINC000066625928 681740279 /nfs/dbraw/zinc/74/02/79/681740279.db2.gz XBKCYXLMPRAPOC-UHFFFAOYSA-N -1 1 335.414 2.433 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(Cn2cccn2)o1 ZINC000066638150 681782359 /nfs/dbraw/zinc/78/23/59/681782359.db2.gz XAGAXFUFARHBCR-UHFFFAOYSA-N -1 1 344.400 2.043 20 0 EEADMM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000973196074 682293585 /nfs/dbraw/zinc/29/35/85/682293585.db2.gz ABVHVSMFQJKFIA-SRVKXCTJSA-N -1 1 345.424 2.029 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000909492550 684177000 /nfs/dbraw/zinc/17/70/00/684177000.db2.gz VUQKTDIRGOGCDK-MRVWCRGKSA-N -1 1 333.432 2.425 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000909495774 684189439 /nfs/dbraw/zinc/18/94/39/684189439.db2.gz UZRVLCXRRMHQQA-AWEZNQCLSA-N -1 1 342.399 2.435 20 0 EEADMM COCc1nc(N2CCC[C@]3(C2)OCc2ccccc23)cc(=O)[n-]1 ZINC000893255525 684315194 /nfs/dbraw/zinc/31/51/94/684315194.db2.gz JYRTVLAOZRAGJP-GOSISDBHSA-N -1 1 327.384 2.355 20 0 EEADMM CC(C)(C)/C=C\C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059352949 684342790 /nfs/dbraw/zinc/34/27/90/684342790.db2.gz CPSOVTPKSZQYSY-PIZKADEWSA-N -1 1 345.443 2.358 20 0 EEADMM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000978740458 693863514 /nfs/dbraw/zinc/86/35/14/693863514.db2.gz DYWRILYLTNURDL-KCQAQPDRSA-N -1 1 345.443 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC000984423936 684525250 /nfs/dbraw/zinc/52/52/50/684525250.db2.gz JEMNNGGZSGDAEW-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)(F)CC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867514287 686298748 /nfs/dbraw/zinc/29/87/48/686298748.db2.gz MHNLEGRAXXGEOK-FQEVSTJZSA-N -1 1 340.417 2.255 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)Cc2n[nH]c3c2CCCC3)c2ccccc21 ZINC000909578096 686360587 /nfs/dbraw/zinc/36/05/87/686360587.db2.gz CPYIMBFKLCTMEW-ZDUSSCGKSA-N -1 1 325.368 2.046 20 0 EEADMM O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897299278 686645533 /nfs/dbraw/zinc/64/55/33/686645533.db2.gz CCYMURJTVBLJSP-ORAYPTAESA-N -1 1 343.379 2.319 20 0 EEADMM CCC1(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866928620 686819148 /nfs/dbraw/zinc/81/91/48/686819148.db2.gz PUJKMJHZOABPKM-HXUWFJFHSA-N -1 1 334.438 2.307 20 0 EEADMM CCC1(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000975905427 686985824 /nfs/dbraw/zinc/98/58/24/686985824.db2.gz NQPYMCYYLDDJED-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001027262754 686988319 /nfs/dbraw/zinc/98/83/19/686988319.db2.gz GBPWLLXOBBCGPT-LBPRGKRZSA-N -1 1 346.456 2.230 20 0 EEADMM CC(C)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000975953563 687177705 /nfs/dbraw/zinc/17/77/05/687177705.db2.gz PTOVLWGGXIAOCX-GJZGRUSLSA-N -1 1 345.443 2.429 20 0 EEADMM CCC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000975948506 687200390 /nfs/dbraw/zinc/20/03/90/687200390.db2.gz GYICZXBGEFAFOX-UONOGXRCSA-N -1 1 331.416 2.183 20 0 EEADMM CCO[C@H]1COCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897390452 688741635 /nfs/dbraw/zinc/74/16/35/688741635.db2.gz KYJXRSARTJFBSY-CVEARBPZSA-N -1 1 331.368 2.175 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)N2CCC(CN(C)Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001029986978 688891540 /nfs/dbraw/zinc/89/15/40/688891540.db2.gz PDQUCMLRTRBXBQ-DZGCQCFKSA-N -1 1 349.479 2.007 20 0 EEADMM CCN(C)[C@H](C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1ccccc1 ZINC000909666027 689127599 /nfs/dbraw/zinc/12/75/99/689127599.db2.gz KEVNVCVPSPIASU-NEPJUHHUSA-N -1 1 332.322 2.201 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263411015 689810389 /nfs/dbraw/zinc/81/03/89/689810389.db2.gz LJEDAIUQTPAYRP-ZWNOBZJWSA-N -1 1 344.333 2.416 20 0 EEADMM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263411015 689810393 /nfs/dbraw/zinc/81/03/93/689810393.db2.gz LJEDAIUQTPAYRP-ZWNOBZJWSA-N -1 1 344.333 2.416 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)C(=O)c1ncccc1[O-] ZINC000987695338 689960657 /nfs/dbraw/zinc/96/06/57/689960657.db2.gz XPULIBGOMIUENM-AWEZNQCLSA-N -1 1 339.395 2.022 20 0 EEADMM C[C@H](CC(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000988061191 690291590 /nfs/dbraw/zinc/29/15/90/690291590.db2.gz IJWNPUOSQQPQSI-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM CC1(C)CCC(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000937864353 691032874 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EEADMM O=C(OC[C@H]1CCC[C@H](O)C1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000795555753 1213850444 /nfs/dbraw/zinc/85/04/44/1213850444.db2.gz KNUPEIOSWMIKPH-FZMZJTMJSA-N -1 1 334.347 2.425 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(F)c2)[n-]1 ZINC000796343829 1213853075 /nfs/dbraw/zinc/85/30/75/1213853075.db2.gz FXIRFJMMWKQNNQ-SECBINFHSA-N -1 1 334.303 2.124 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[n-]1 ZINC000796369768 1213899948 /nfs/dbraw/zinc/89/99/48/1213899948.db2.gz SFOIGFIWHASYKP-WFASDCNBSA-N -1 1 348.399 2.139 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956488842 1213930188 /nfs/dbraw/zinc/93/01/88/1213930188.db2.gz HYWCIGUBIOKODW-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)CC[C@@H](CNC(=O)Cc2sc(N)nc2[O-])c2ccccc21 ZINC000091803679 1214128914 /nfs/dbraw/zinc/12/89/14/1214128914.db2.gz JGRZTRCPHKQFFH-SMDDNHRTSA-N -1 1 345.468 2.305 20 0 EEADMM C[C@H](NC(=O)c1ccccc1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000959130518 1214231357 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EEADMM Cc1occc1C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000964705515 1218558152 /nfs/dbraw/zinc/55/81/52/1218558152.db2.gz DTKVDRQSFNXHEL-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC000964846370 1218670480 /nfs/dbraw/zinc/67/04/80/1218670480.db2.gz ADHOTFYHFVFGTH-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1)=C1CCC1 ZINC000964849553 1218673063 /nfs/dbraw/zinc/67/30/63/1218673063.db2.gz OIVINBDPMYZPMR-OAHLLOKOSA-N -1 1 343.427 2.399 20 0 EEADMM Cc1noc(C)c1CN1CC[C@H](C)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000965940552 1219381283 /nfs/dbraw/zinc/38/12/83/1219381283.db2.gz ISWFUIQSCPAYFH-XHDPSFHLSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC000966610514 1219888099 /nfs/dbraw/zinc/88/80/99/1219888099.db2.gz UTHSSPJCUPUVGN-MFKMUULPSA-N -1 1 345.424 2.048 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000967653055 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O=C(NC1CCC2(CCOCC2)CC1)c1ccc2n[n-]c(=S)n2c1 ZINC001330574474 1334872485 /nfs/dbraw/zinc/87/24/85/1334872485.db2.gz DCOGVGAIFZBZES-UHFFFAOYSA-N -1 1 346.456 2.487 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(c3ccccc3)CC2)n1 ZINC001609391488 1351956790 /nfs/dbraw/zinc/95/67/90/1351956790.db2.gz LBOWSUIJRKLIBN-UHFFFAOYSA-N -1 1 339.378 2.430 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(c3ccccc3)CC2)n1 ZINC001609391488 1351956791 /nfs/dbraw/zinc/95/67/91/1351956791.db2.gz LBOWSUIJRKLIBN-UHFFFAOYSA-N -1 1 339.378 2.430 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001609399417 1351960894 /nfs/dbraw/zinc/96/08/94/1351960894.db2.gz WQIHTBPWWGGPMY-LBPRGKRZSA-N -1 1 328.332 2.042 20 0 EEADMM Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001609399417 1351960896 /nfs/dbraw/zinc/96/08/96/1351960896.db2.gz WQIHTBPWWGGPMY-LBPRGKRZSA-N -1 1 328.332 2.042 20 0 EEADMM Cc1cc(NCc2ccccc2Cn2cccn2)cc(-c2nnn[n-]2)n1 ZINC001609410789 1351965597 /nfs/dbraw/zinc/96/55/97/1351965597.db2.gz YYRAXOSFWLDVMA-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1cc(NCc2ccccc2Cn2cccn2)cc(-c2nn[n-]n2)n1 ZINC001609410789 1351965599 /nfs/dbraw/zinc/96/55/99/1351965599.db2.gz YYRAXOSFWLDVMA-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1ccc(NC[C@]2(CO)C[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC001609426247 1351972428 /nfs/dbraw/zinc/97/24/28/1351972428.db2.gz KCEYNWDDXDWZJR-KDOFPFPSSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1ccc(NC[C@]2(CO)C[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC001609426247 1351972431 /nfs/dbraw/zinc/97/24/31/1351972431.db2.gz KCEYNWDDXDWZJR-KDOFPFPSSA-N -1 1 336.399 2.148 20 0 EEADMM Cc1ccn(Cc2csc(C(C)(C)C)n2)c(=O)c1-c1nn[n-]n1 ZINC001609438241 1351977277 /nfs/dbraw/zinc/97/72/77/1351977277.db2.gz WTPFITVLWUTBHG-UHFFFAOYSA-N -1 1 330.417 2.139 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc12 ZINC001609459661 1351985604 /nfs/dbraw/zinc/98/56/04/1351985604.db2.gz VAENKDHBGLIQAL-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nn(C)c2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc12 ZINC001609459661 1351985608 /nfs/dbraw/zinc/98/56/08/1351985608.db2.gz VAENKDHBGLIQAL-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC001609468032 1351988570 /nfs/dbraw/zinc/98/85/70/1351988570.db2.gz DRNWBWBPPBLGQY-JTQLQIEISA-N -1 1 326.312 2.196 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC001609468032 1351988573 /nfs/dbraw/zinc/98/85/73/1351988573.db2.gz DRNWBWBPPBLGQY-JTQLQIEISA-N -1 1 326.312 2.196 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC(F)F)CC1CCC1 ZINC001609466931 1351988955 /nfs/dbraw/zinc/98/89/55/1351988955.db2.gz OHLXFSMEZVOECF-UHFFFAOYSA-N -1 1 325.319 2.276 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC(F)F)CC1CCC1 ZINC001609466931 1351988957 /nfs/dbraw/zinc/98/89/57/1351988957.db2.gz OHLXFSMEZVOECF-UHFFFAOYSA-N -1 1 325.319 2.276 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609491377 1351997260 /nfs/dbraw/zinc/99/72/60/1351997260.db2.gz BRGUOVZTGAIBKF-LLVKDONJSA-N -1 1 346.391 2.466 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609491377 1351997261 /nfs/dbraw/zinc/99/72/61/1351997261.db2.gz BRGUOVZTGAIBKF-LLVKDONJSA-N -1 1 346.391 2.466 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609546102 1352011943 /nfs/dbraw/zinc/01/19/43/1352011943.db2.gz AEJGBKVRBKBIIR-GFCCVEGCSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc2C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609546102 1352011944 /nfs/dbraw/zinc/01/19/44/1352011944.db2.gz AEJGBKVRBKBIIR-GFCCVEGCSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545422 1352011760 /nfs/dbraw/zinc/01/17/60/1352011760.db2.gz BPOLHKQRXVUSSW-VXGBXAGGSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545422 1352011766 /nfs/dbraw/zinc/01/17/66/1352011766.db2.gz BPOLHKQRXVUSSW-VXGBXAGGSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NCCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609550421 1352013910 /nfs/dbraw/zinc/01/39/10/1352013910.db2.gz QOMQJQAYAZOYNK-UHFFFAOYSA-N -1 1 349.350 2.422 20 0 EEADMM O=C(NCCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609550421 1352013913 /nfs/dbraw/zinc/01/39/13/1352013913.db2.gz QOMQJQAYAZOYNK-UHFFFAOYSA-N -1 1 349.350 2.422 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609568595 1352019050 /nfs/dbraw/zinc/01/90/50/1352019050.db2.gz CFWRIEFZANUSBV-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609568595 1352019054 /nfs/dbraw/zinc/01/90/54/1352019054.db2.gz CFWRIEFZANUSBV-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1cc(F)ccc1Cl)CCC2 ZINC001609604232 1352033325 /nfs/dbraw/zinc/03/33/25/1352033325.db2.gz ZDVOACMOVWIMCU-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM C[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001609772407 1352081617 /nfs/dbraw/zinc/08/16/17/1352081617.db2.gz JPHCWZCSMTZCFI-NSHDSACASA-N -1 1 342.351 2.403 20 0 EEADMM C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001609781021 1352084264 /nfs/dbraw/zinc/08/42/64/1352084264.db2.gz UIOWYTVAUGPGIT-LBPRGKRZSA-N -1 1 337.397 2.492 20 0 EEADMM C[C@@H](NCCn1cc(C(=O)[O-])nn1)c1csc(-c2ccccc2)n1 ZINC001609781379 1352084372 /nfs/dbraw/zinc/08/43/72/1352084372.db2.gz TZPGSMZBESMMHQ-LLVKDONJSA-N -1 1 343.412 2.451 20 0 EEADMM C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001609781020 1352084593 /nfs/dbraw/zinc/08/45/93/1352084593.db2.gz UIOWYTVAUGPGIT-GFCCVEGCSA-N -1 1 337.397 2.492 20 0 EEADMM Cc1noc(C2CC2)c1[N-]C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC001338039492 1336779904 /nfs/dbraw/zinc/77/99/04/1336779904.db2.gz XLXXOZLMGVIMOB-UHFFFAOYSA-N -1 1 328.328 2.261 20 0 EEADMM Cc1noc(C)c1CN(C)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001338972981 1336939412 /nfs/dbraw/zinc/93/94/12/1336939412.db2.gz DATXALMSDGGHSJ-UHFFFAOYSA-N -1 1 348.794 2.477 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1nc2ccccc2s1 ZINC001609869461 1352107490 /nfs/dbraw/zinc/10/74/90/1352107490.db2.gz DQESGKAKENHFLE-NSHDSACASA-N -1 1 348.428 2.309 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001609868480 1352107560 /nfs/dbraw/zinc/10/75/60/1352107560.db2.gz QYOAVQUQFNSRDZ-CHWSQXEVSA-N -1 1 347.406 2.002 20 0 EEADMM CC[C@@](NCc1cccc(C(=O)OC)n1)(C(=O)[O-])c1ccccc1 ZINC001609931863 1352123178 /nfs/dbraw/zinc/12/31/78/1352123178.db2.gz MVOXWWHSDSYOCR-SFHVURJKSA-N -1 1 328.368 2.348 20 0 EEADMM CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])[C@@H](C)C1 ZINC001610005644 1352138899 /nfs/dbraw/zinc/13/88/99/1352138899.db2.gz JVVKVSIXGLSDJV-JTQLQIEISA-N -1 1 339.461 2.028 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)c3ccc(F)c(F)c3)nc2n1 ZINC001348041142 1337533673 /nfs/dbraw/zinc/53/36/73/1337533673.db2.gz QCXSPNUPBUVADB-MRVPVSSYSA-N -1 1 347.325 2.000 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)COc1cccc(F)c1 ZINC001350943463 1337774323 /nfs/dbraw/zinc/77/43/23/1337774323.db2.gz OCJDXRUOQUJWPD-MRVPVSSYSA-N -1 1 337.376 2.116 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847088566 1337863677 /nfs/dbraw/zinc/86/36/77/1337863677.db2.gz BQWGRVFSWFFBEO-DTWKUNHWSA-N -1 1 334.203 2.455 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001610125753 1352168031 /nfs/dbraw/zinc/16/80/31/1352168031.db2.gz UXJSKEOQXPXRQS-UHFFFAOYSA-N -1 1 342.370 2.480 20 0 EEADMM CCn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N1CCCC1 ZINC001352775702 1338061706 /nfs/dbraw/zinc/06/17/06/1338061706.db2.gz TZNMFAKBXVJPGD-UHFFFAOYSA-N -1 1 337.387 2.123 20 0 EEADMM COC(=O)c1cc(CN(CCO)Cc2ccccc2)cc(C(=O)[O-])c1 ZINC001610197503 1352183628 /nfs/dbraw/zinc/18/36/28/1352183628.db2.gz RGVBQHGAPYKLAM-UHFFFAOYSA-N -1 1 343.379 2.166 20 0 EEADMM CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610226122 1352190133 /nfs/dbraw/zinc/19/01/33/1352190133.db2.gz LHGYXODKCQHJIC-JTQLQIEISA-N -1 1 336.369 2.288 20 0 EEADMM CN(C)c1ccc(CCNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001353884238 1338360272 /nfs/dbraw/zinc/36/02/72/1338360272.db2.gz YXDOCRAALDPHNN-UHFFFAOYSA-N -1 1 326.400 2.098 20 0 EEADMM COCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC001610257692 1352195575 /nfs/dbraw/zinc/19/55/75/1352195575.db2.gz VMSAJYMOQGWZLQ-CJNGLKHVSA-N -1 1 334.416 2.460 20 0 EEADMM COc1cccc([C@](C)(CC(=O)[O-])NCC(=O)NC2CCCCC2)c1 ZINC001610356034 1352210004 /nfs/dbraw/zinc/21/00/04/1352210004.db2.gz HVLRMHHCKWKKKX-IBGZPJMESA-N -1 1 348.443 2.424 20 0 EEADMM COc1ccccc1-c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001610362935 1352210832 /nfs/dbraw/zinc/21/08/32/1352210832.db2.gz PNELXGLOURUDPL-DOTOQJQBSA-N -1 1 327.380 2.382 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1C1CC1 ZINC001610434661 1352221689 /nfs/dbraw/zinc/22/16/89/1352221689.db2.gz PLSHAGXJIQRQHU-ZDUSSCGKSA-N -1 1 333.432 2.061 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n[nH]1 ZINC001610459379 1352226182 /nfs/dbraw/zinc/22/61/82/1352226182.db2.gz PGHKYEAOSFYNPC-AAEUAGOBSA-N -1 1 336.436 2.182 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cnn(C)c1 ZINC001610486418 1352231241 /nfs/dbraw/zinc/23/12/41/1352231241.db2.gz HNWBDVHDBLOADT-VXGBXAGGSA-N -1 1 330.388 2.105 20 0 EEADMM Cc1cccnc1[C@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)C(C)C ZINC001610534281 1352240827 /nfs/dbraw/zinc/24/08/27/1352240827.db2.gz JMEGGFWLWGZZEY-MRXNPFEDSA-N -1 1 342.399 2.409 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2)C1CCCC1 ZINC000849309394 1339152375 /nfs/dbraw/zinc/15/23/75/1339152375.db2.gz GUEDVTCGGJNUEQ-HNNXBMFYSA-N -1 1 339.413 2.304 20 0 EEADMM CSc1ncc(C(=O)NCc2ccccc2-n2cccn2)c(=O)[n-]1 ZINC001545844830 1340215979 /nfs/dbraw/zinc/21/59/79/1340215979.db2.gz QCNCACKMFDYUMU-UHFFFAOYSA-N -1 1 341.396 2.020 20 0 EEADMM CC(C)C[C@H](CNC(=O)CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001431097661 1340448718 /nfs/dbraw/zinc/44/87/18/1340448718.db2.gz GQCDRIWDDYMVOB-SNVBAGLBSA-N -1 1 347.337 2.000 20 0 EEADMM CC(C)C1(C(=O)N(C)C[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001432055048 1340866297 /nfs/dbraw/zinc/86/62/97/1340866297.db2.gz AUUOQCNQDJMXHC-AWEZNQCLSA-N -1 1 345.443 2.144 20 0 EEADMM Cc1cccc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1[N+](=O)[O-] ZINC000018259819 1352358150 /nfs/dbraw/zinc/35/81/50/1352358150.db2.gz WGGVOIDZVXLCLH-UHFFFAOYSA-N -1 1 331.280 2.354 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001432500773 1341309312 /nfs/dbraw/zinc/30/93/12/1341309312.db2.gz LCRNSMRVHGOYDP-KKUMJFAQSA-N -1 1 345.443 2.285 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)CCc1ccsc1 ZINC001433167900 1341522125 /nfs/dbraw/zinc/52/21/25/1341522125.db2.gz XNHXGVQUMPYIEZ-UHFFFAOYSA-N -1 1 347.440 2.012 20 0 EEADMM Cc1ccc(CCCN2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC001434857563 1341970628 /nfs/dbraw/zinc/97/06/28/1341970628.db2.gz PHHBDACMDGQKKX-UHFFFAOYSA-N -1 1 339.439 2.486 20 0 EEADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc([O-])cc3F)cn2)CCO1 ZINC001464159237 1342091651 /nfs/dbraw/zinc/09/16/51/1342091651.db2.gz QCXKQMGSOUNDDN-LBPRGKRZSA-N -1 1 345.374 2.081 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS1 ZINC001575992742 1343937684 /nfs/dbraw/zinc/93/76/84/1343937684.db2.gz PNFBDSZGKUEPQS-BDAKNGLRSA-N -1 1 338.462 2.012 20 0 EEADMM C[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS1 ZINC001575992743 1343937859 /nfs/dbraw/zinc/93/78/59/1343937859.db2.gz PNFBDSZGKUEPQS-DTWKUNHWSA-N -1 1 338.462 2.012 20 0 EEADMM COc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC001579929129 1344433122 /nfs/dbraw/zinc/43/31/22/1344433122.db2.gz SPKYHZKHLRJZFB-UHFFFAOYSA-N -1 1 339.281 2.229 20 0 EEADMM COc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001579929129 1344433131 /nfs/dbraw/zinc/43/31/31/1344433131.db2.gz SPKYHZKHLRJZFB-UHFFFAOYSA-N -1 1 339.281 2.229 20 0 EEADMM COc1ccc([C@@H](C)NCc2nc(-c3nnn[n-]3)cs2)c(OC)c1 ZINC001580049900 1344458994 /nfs/dbraw/zinc/45/89/94/1344458994.db2.gz WSEAVLAGZTZJBF-SECBINFHSA-N -1 1 346.416 2.191 20 0 EEADMM COc1ccc([C@@H](C)NCc2nc(-c3nn[n-]n3)cs2)c(OC)c1 ZINC001580049900 1344458998 /nfs/dbraw/zinc/45/89/98/1344458998.db2.gz WSEAVLAGZTZJBF-SECBINFHSA-N -1 1 346.416 2.191 20 0 EEADMM COc1cccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001580070615 1344464275 /nfs/dbraw/zinc/46/42/75/1344464275.db2.gz UXNQPKHTKMBHDQ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C=Cc2ccc(Cl)s2)nn1C ZINC001580522359 1344529315 /nfs/dbraw/zinc/52/93/15/1344529315.db2.gz OIAHXBDNZJRBEQ-XQRVVYSFSA-N -1 1 349.807 2.275 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C=Cc2ccc(Cl)s2)nn1C ZINC001580522359 1344529320 /nfs/dbraw/zinc/52/93/20/1344529320.db2.gz OIAHXBDNZJRBEQ-XQRVVYSFSA-N -1 1 349.807 2.275 20 0 EEADMM Fc1cc(Cl)c2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001581852584 1344677444 /nfs/dbraw/zinc/67/74/44/1344677444.db2.gz BUNDEMJILQUCEZ-UHFFFAOYSA-N -1 1 331.742 2.012 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccn(C2CCCC2)n1 ZINC001582551319 1344761857 /nfs/dbraw/zinc/76/18/57/1344761857.db2.gz DFQWLAWQILAEKT-UHFFFAOYSA-N -1 1 343.416 2.170 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOc2cccc(F)c2C1 ZINC001582745247 1344788488 /nfs/dbraw/zinc/78/84/88/1344788488.db2.gz VDLZBPXDQXZWKV-UHFFFAOYSA-N -1 1 345.359 2.102 20 0 EEADMM Oc1ccc2c(c1)CCN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001582817000 1344796500 /nfs/dbraw/zinc/79/65/00/1344796500.db2.gz WTXXGSJBBKDPBF-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM Oc1ccc2c(c1)CCN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001582817000 1344796503 /nfs/dbraw/zinc/79/65/03/1344796503.db2.gz WTXXGSJBBKDPBF-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001588769968 1348933186 /nfs/dbraw/zinc/93/31/86/1348933186.db2.gz BTSKZKLSSPHJDU-VMPITWQZSA-N -1 1 329.751 2.285 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001588769968 1348933190 /nfs/dbraw/zinc/93/31/90/1348933190.db2.gz BTSKZKLSSPHJDU-VMPITWQZSA-N -1 1 329.751 2.285 20 0 EEADMM C[C@@H](C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C1CCCC1 ZINC001589025485 1348953305 /nfs/dbraw/zinc/95/33/05/1348953305.db2.gz WSUBGTRYYBPSFK-SNVBAGLBSA-N -1 1 342.403 2.099 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001589058519 1348955611 /nfs/dbraw/zinc/95/56/11/1348955611.db2.gz SGHZQXZPMJPSIU-JTQLQIEISA-N -1 1 345.407 2.001 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001589104506 1348961137 /nfs/dbraw/zinc/96/11/37/1348961137.db2.gz DPKCLSYNDVCZTO-ONGXEEELSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001589104506 1348961140 /nfs/dbraw/zinc/96/11/40/1348961140.db2.gz DPKCLSYNDVCZTO-ONGXEEELSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C1(C)C ZINC001589197707 1348968586 /nfs/dbraw/zinc/96/85/86/1348968586.db2.gz JUIYVIXYBZFPGT-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C1(C)C ZINC001589197707 1348968590 /nfs/dbraw/zinc/96/85/90/1348968590.db2.gz JUIYVIXYBZFPGT-QWHCGFSZSA-N -1 1 345.403 2.401 20 0 EEADMM CC(C)(C)c1ccc(-c2nn[nH]n2)c(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC001589222054 1348971817 /nfs/dbraw/zinc/97/18/17/1348971817.db2.gz UJQUWZWZQSHTTM-GFCCVEGCSA-N -1 1 347.442 2.405 20 0 EEADMM CC(C)[C@@H](CO)[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001589460993 1348991748 /nfs/dbraw/zinc/99/17/48/1348991748.db2.gz UWGOUITULTVKHT-DOMZBBRYSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@@H](CO)[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001589460993 1348991752 /nfs/dbraw/zinc/99/17/52/1348991752.db2.gz UWGOUITULTVKHT-DOMZBBRYSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589507118 1348998607 /nfs/dbraw/zinc/99/86/07/1348998607.db2.gz BXLSONXLBVOUHI-GHMZBOCLSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589507118 1348998609 /nfs/dbraw/zinc/99/86/09/1348998609.db2.gz BXLSONXLBVOUHI-GHMZBOCLSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)Oc1ccccc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589758554 1349031265 /nfs/dbraw/zinc/03/12/65/1349031265.db2.gz PAWKWPLZLZJBFM-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccccc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589758554 1349031272 /nfs/dbraw/zinc/03/12/72/1349031272.db2.gz PAWKWPLZLZJBFM-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)c1cc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)nn1C ZINC001589767532 1349033472 /nfs/dbraw/zinc/03/34/72/1349033472.db2.gz IIEWIFIHLVQOTM-UHFFFAOYSA-N -1 1 332.389 2.142 20 0 EEADMM C[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001589792382 1349044136 /nfs/dbraw/zinc/04/41/36/1349044136.db2.gz AFCLBIAIOGIOHP-NSHDSACASA-N -1 1 340.362 2.211 20 0 EEADMM C[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001589792382 1349044141 /nfs/dbraw/zinc/04/41/41/1349044141.db2.gz AFCLBIAIOGIOHP-NSHDSACASA-N -1 1 340.362 2.211 20 0 EEADMM CC(C)OC(=O)CC[C@@H](C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589802462 1349047596 /nfs/dbraw/zinc/04/75/96/1349047596.db2.gz IUFIWJOFEWUGSN-SECBINFHSA-N -1 1 338.799 2.447 20 0 EEADMM CC(C)OC(=O)CC[C@@H](C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589802462 1349047600 /nfs/dbraw/zinc/04/76/00/1349047600.db2.gz IUFIWJOFEWUGSN-SECBINFHSA-N -1 1 338.799 2.447 20 0 EEADMM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]Oc1ccccc1F ZINC001589897833 1349056062 /nfs/dbraw/zinc/05/60/62/1349056062.db2.gz OBXRPYSHMTZXEQ-NSHDSACASA-N -1 1 341.346 2.295 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H](O)c1ccccc1 ZINC001589982179 1349093168 /nfs/dbraw/zinc/09/31/68/1349093168.db2.gz SYCBWZCSYPGVAX-OTYXRUKQSA-N -1 1 330.779 2.449 20 0 EEADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H](O)c1ccccc1 ZINC001589982179 1349093181 /nfs/dbraw/zinc/09/31/81/1349093181.db2.gz SYCBWZCSYPGVAX-OTYXRUKQSA-N -1 1 330.779 2.449 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1OC(F)F ZINC001589987170 1349094066 /nfs/dbraw/zinc/09/40/66/1349094066.db2.gz HFWMCGLAMNPYAD-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1OC(F)F ZINC001589987170 1349094069 /nfs/dbraw/zinc/09/40/69/1349094069.db2.gz HFWMCGLAMNPYAD-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1 ZINC001589991708 1349097049 /nfs/dbraw/zinc/09/70/49/1349097049.db2.gz QOXJYLATJUDVER-ZETCQYMHSA-N -1 1 349.807 2.416 20 0 EEADMM C[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1 ZINC001589991708 1349097058 /nfs/dbraw/zinc/09/70/58/1349097058.db2.gz QOXJYLATJUDVER-ZETCQYMHSA-N -1 1 349.807 2.416 20 0 EEADMM CC1(C)CCC[C@@](O)(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590098585 1349154795 /nfs/dbraw/zinc/15/47/95/1349154795.db2.gz VTTZOWBSALYIMD-KRWDZBQOSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)CCC[C@@](O)(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590098585 1349154798 /nfs/dbraw/zinc/15/47/98/1349154798.db2.gz VTTZOWBSALYIMD-KRWDZBQOSA-N -1 1 347.394 2.067 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@H]1C ZINC001590222081 1349209316 /nfs/dbraw/zinc/20/93/16/1349209316.db2.gz FNLCRSCYRZJQFT-KKZNHRDASA-N -1 1 329.408 2.478 20 0 EEADMM C[C@H]1CCC[C@@H](CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590240565 1349219927 /nfs/dbraw/zinc/21/99/27/1349219927.db2.gz FIKDRCKXNCPIID-STQMWFEESA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CCC[C@@H](CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590240565 1349219930 /nfs/dbraw/zinc/21/99/30/1349219930.db2.gz FIKDRCKXNCPIID-STQMWFEESA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CSCCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590326244 1349266384 /nfs/dbraw/zinc/26/63/84/1349266384.db2.gz GZXQAAIWVWFXLR-JTQLQIEISA-N -1 1 342.428 2.173 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Oc1ccccc1C ZINC001590443058 1349326705 /nfs/dbraw/zinc/32/67/05/1349326705.db2.gz QLDXQIKEOSYILM-GFCCVEGCSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Oc1ccccc1C ZINC001590443058 1349326710 /nfs/dbraw/zinc/32/67/10/1349326710.db2.gz QLDXQIKEOSYILM-GFCCVEGCSA-N -1 1 341.371 2.356 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590828874 1349401716 /nfs/dbraw/zinc/40/17/16/1349401716.db2.gz VSCMEVXAHZXQMP-UHFFFAOYSA-N -1 1 331.357 2.285 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590828874 1349401727 /nfs/dbraw/zinc/40/17/27/1349401727.db2.gz VSCMEVXAHZXQMP-UHFFFAOYSA-N -1 1 331.357 2.285 20 0 EEADMM CCc1nc2sccc2c(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001590922506 1349411762 /nfs/dbraw/zinc/41/17/62/1349411762.db2.gz BLUHGBYDZMRSTG-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCc1nc2sccc2c(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001590922506 1349411768 /nfs/dbraw/zinc/41/17/68/1349411768.db2.gz BLUHGBYDZMRSTG-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCc1nc(NC[C@H]2CCc3ccccc3N2)cc(-c2nnn[n-]2)n1 ZINC001590918900 1349411897 /nfs/dbraw/zinc/41/18/97/1349411897.db2.gz JUMSGIILBVNMOJ-GFCCVEGCSA-N -1 1 336.403 2.058 20 0 EEADMM CCc1nc(NC[C@H]2CCc3ccccc3N2)cc(-c2nn[n-]n2)n1 ZINC001590918900 1349411901 /nfs/dbraw/zinc/41/19/01/1349411901.db2.gz JUMSGIILBVNMOJ-GFCCVEGCSA-N -1 1 336.403 2.058 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591050532 1349435234 /nfs/dbraw/zinc/43/52/34/1349435234.db2.gz OPAYCFWJCKYDNB-UHFFFAOYSA-N -1 1 347.394 2.163 20 0 EEADMM CN(CC1(O)CCCCCC1)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591050532 1349435237 /nfs/dbraw/zinc/43/52/37/1349435237.db2.gz OPAYCFWJCKYDNB-UHFFFAOYSA-N -1 1 347.394 2.163 20 0 EEADMM CN(CCC1CCCCC1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591065490 1349438110 /nfs/dbraw/zinc/43/81/10/1349438110.db2.gz OEAXLQYBKFWECR-UHFFFAOYSA-N -1 1 328.420 2.233 20 0 EEADMM CN(CCC1CCCCC1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591065490 1349438112 /nfs/dbraw/zinc/43/81/12/1349438112.db2.gz OEAXLQYBKFWECR-UHFFFAOYSA-N -1 1 328.420 2.233 20 0 EEADMM Cc1ccc(F)c(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)c1 ZINC001592173821 1349601806 /nfs/dbraw/zinc/60/18/06/1349601806.db2.gz QVCOYUNBVNEWQQ-UHFFFAOYSA-N -1 1 339.374 2.403 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)CC3 ZINC001592197852 1349605269 /nfs/dbraw/zinc/60/52/69/1349605269.db2.gz CBNKUFUHTHYUNL-LBPRGKRZSA-N -1 1 345.410 2.443 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)CC3 ZINC001592197852 1349605273 /nfs/dbraw/zinc/60/52/73/1349605273.db2.gz CBNKUFUHTHYUNL-LBPRGKRZSA-N -1 1 345.410 2.443 20 0 EEADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592201252 1349606675 /nfs/dbraw/zinc/60/66/75/1349606675.db2.gz PUWCXEHVIGBBRA-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592201252 1349606683 /nfs/dbraw/zinc/60/66/83/1349606683.db2.gz PUWCXEHVIGBBRA-AWEZNQCLSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccc2nc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)ccc2c1 ZINC001592206781 1349609635 /nfs/dbraw/zinc/60/96/35/1349609635.db2.gz OTZKNECRVILTRG-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1ccc2nc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC001592206781 1349609643 /nfs/dbraw/zinc/60/96/43/1349609643.db2.gz OTZKNECRVILTRG-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1[nH]nc(NC(=O)CCCc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC001592328230 1349621866 /nfs/dbraw/zinc/62/18/66/1349621866.db2.gz QDUGPOXKQNBPMW-UHFFFAOYSA-N -1 1 347.329 2.138 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CCOc2ccccc21 ZINC001592503723 1349640186 /nfs/dbraw/zinc/64/01/86/1349640186.db2.gz LHDQKDUOOXMRPB-LLVKDONJSA-N -1 1 340.339 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CCOc2ccccc21 ZINC001592503723 1349640187 /nfs/dbraw/zinc/64/01/87/1349640187.db2.gz LHDQKDUOOXMRPB-LLVKDONJSA-N -1 1 340.339 2.491 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC001592503891 1349640500 /nfs/dbraw/zinc/64/05/00/1349640500.db2.gz ZKWUJGFDXNJBNA-OTYXRUKQSA-N -1 1 325.328 2.020 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC001592503891 1349640503 /nfs/dbraw/zinc/64/05/03/1349640503.db2.gz ZKWUJGFDXNJBNA-OTYXRUKQSA-N -1 1 325.328 2.020 20 0 EEADMM Cc1onc(CC(=O)NC[C@H]2CCCC(C)(C)C2)c1-c1nnn[n-]1 ZINC001592517353 1349644478 /nfs/dbraw/zinc/64/44/78/1349644478.db2.gz HUXYWGJHGMKFSZ-NSHDSACASA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NC[C@H]2CCCC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592517353 1349644479 /nfs/dbraw/zinc/64/44/79/1349644479.db2.gz HUXYWGJHGMKFSZ-NSHDSACASA-N -1 1 332.408 2.038 20 0 EEADMM Clc1ccc(N2CCC[C@@H]2c2ncccn2)nc1-c1nnn[n-]1 ZINC001592532954 1349649883 /nfs/dbraw/zinc/64/98/83/1349649883.db2.gz XVEWVYWIOURZQI-SNVBAGLBSA-N -1 1 328.767 2.047 20 0 EEADMM Clc1ccc(N2CCC[C@@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592532954 1349649886 /nfs/dbraw/zinc/64/98/86/1349649886.db2.gz XVEWVYWIOURZQI-SNVBAGLBSA-N -1 1 328.767 2.047 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001592534157 1349650370 /nfs/dbraw/zinc/65/03/70/1349650370.db2.gz DGCLZOBRPDDCOE-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534157 1349650371 /nfs/dbraw/zinc/65/03/71/1349650371.db2.gz DGCLZOBRPDDCOE-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1nc(N2CC[C@H](Cc3ccncc3)C2)sc1-c1nnn[n-]1 ZINC001592540396 1349652709 /nfs/dbraw/zinc/65/27/09/1349652709.db2.gz JZVPDCCUIBLKBN-SNVBAGLBSA-N -1 1 347.835 2.441 20 0 EEADMM Clc1nc(N2CC[C@H](Cc3ccncc3)C2)sc1-c1nn[n-]n1 ZINC001592540396 1349652713 /nfs/dbraw/zinc/65/27/13/1349652713.db2.gz JZVPDCCUIBLKBN-SNVBAGLBSA-N -1 1 347.835 2.441 20 0 EEADMM Clc1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)sc1-c1nnn[n-]1 ZINC001592540941 1349653236 /nfs/dbraw/zinc/65/32/36/1349653236.db2.gz SFTMHLDTUIZSRO-DTWKUNHWSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CCC[C@H]([C@@H]3CCOC3)C2)sc1-c1nn[n-]n1 ZINC001592540941 1349653237 /nfs/dbraw/zinc/65/32/37/1349653237.db2.gz SFTMHLDTUIZSRO-DTWKUNHWSA-N -1 1 340.840 2.230 20 0 EEADMM Fc1ccc(F)c(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592649463 1349693783 /nfs/dbraw/zinc/69/37/83/1349693783.db2.gz OBTRPKDUEVDZIS-LBPRGKRZSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(F)c(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592649463 1349693787 /nfs/dbraw/zinc/69/37/87/1349693787.db2.gz OBTRPKDUEVDZIS-LBPRGKRZSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccccc1C1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592658999 1349703084 /nfs/dbraw/zinc/70/30/84/1349703084.db2.gz LLVKSAXEYXAANJ-UHFFFAOYSA-N -1 1 337.362 2.277 20 0 EEADMM Fc1ccccc1C1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592658999 1349703088 /nfs/dbraw/zinc/70/30/88/1349703088.db2.gz LLVKSAXEYXAANJ-UHFFFAOYSA-N -1 1 337.362 2.277 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001592998617 1349732296 /nfs/dbraw/zinc/73/22/96/1349732296.db2.gz YAOMGMVOFRFAMH-SNVBAGLBSA-N -1 1 327.369 2.427 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001592998617 1349732297 /nfs/dbraw/zinc/73/22/97/1349732297.db2.gz YAOMGMVOFRFAMH-SNVBAGLBSA-N -1 1 327.369 2.427 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc2scnc21 ZINC001593136537 1349740291 /nfs/dbraw/zinc/74/02/91/1349740291.db2.gz AOFFBCDIABAFRY-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593248839 1349750706 /nfs/dbraw/zinc/75/07/06/1349750706.db2.gz XWQXAXSLJQFPBP-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1cccc(Oc2cnccn2)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593248839 1349750712 /nfs/dbraw/zinc/75/07/12/1349750712.db2.gz XWQXAXSLJQFPBP-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2c(cncc2Cl)s1 ZINC001593260024 1349754217 /nfs/dbraw/zinc/75/42/17/1349754217.db2.gz IJOYVMPFQVSRRC-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cc(C2CC2)no1 ZINC001593264267 1349754596 /nfs/dbraw/zinc/75/45/96/1349754596.db2.gz NZSKVQVRAWWGJC-UHFFFAOYSA-N -1 1 337.752 2.094 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCC[C@@H](F)C1 ZINC001593263809 1349754957 /nfs/dbraw/zinc/75/49/57/1349754957.db2.gz FPTDLITYASDLFE-RITPCOANSA-N -1 1 345.791 2.379 20 0 EEADMM O=C(Nc1nc2ccccc2[nH]1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593265920 1349756396 /nfs/dbraw/zinc/75/63/96/1349756396.db2.gz AZIJCEKWPFMVDX-UHFFFAOYSA-N -1 1 344.338 2.477 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1([C@@H]2CCCCO2)CCC1 ZINC001593267783 1349756482 /nfs/dbraw/zinc/75/64/82/1349756482.db2.gz JRJULCMWEGATJU-JTQLQIEISA-N -1 1 334.405 2.001 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1([C@@H]2CCCCO2)CCC1 ZINC001593267783 1349756484 /nfs/dbraw/zinc/75/64/84/1349756484.db2.gz JRJULCMWEGATJU-JTQLQIEISA-N -1 1 334.405 2.001 20 0 EEADMM O=C(OCCCc1ccncc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593289516 1349765077 /nfs/dbraw/zinc/76/50/77/1349765077.db2.gz SFGRMGBSGAOCGZ-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCCCc1ccncc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593289516 1349765083 /nfs/dbraw/zinc/76/50/83/1349765083.db2.gz SFGRMGBSGAOCGZ-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(CCOCC2)CC1 ZINC001593350834 1349789249 /nfs/dbraw/zinc/78/92/49/1349789249.db2.gz XOUXSNWYQGZZBH-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(CCOCC2)CC1 ZINC001593350834 1349789254 /nfs/dbraw/zinc/78/92/54/1349789254.db2.gz XOUXSNWYQGZZBH-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC001593387329 1349795859 /nfs/dbraw/zinc/79/58/59/1349795859.db2.gz FAZYJJOJGMICCF-AWEZNQCLSA-N -1 1 349.350 2.065 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC001593387329 1349795861 /nfs/dbraw/zinc/79/58/61/1349795861.db2.gz FAZYJJOJGMICCF-AWEZNQCLSA-N -1 1 349.350 2.065 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc(Br)cn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001593490845 1349816937 /nfs/dbraw/zinc/81/69/37/1349816937.db2.gz PFJCPPWVWFPBBP-AEJSXWLSSA-N -1 1 348.204 2.003 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cccc3cccnc31)CCC2 ZINC001593490886 1349817475 /nfs/dbraw/zinc/81/74/75/1349817475.db2.gz QWYMOZDWTHSWAA-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1CC[C@H]1CCCCO1 ZINC001593492268 1349817925 /nfs/dbraw/zinc/81/79/25/1349817925.db2.gz FIEOEUNTSMHEII-SECBINFHSA-N -1 1 343.309 2.006 20 0 EEADMM O[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2s1 ZINC001593507784 1349824289 /nfs/dbraw/zinc/82/42/89/1349824289.db2.gz VIAAEPOZBKJYDC-CYBMUJFWSA-N -1 1 338.396 2.044 20 0 EEADMM O[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2s1 ZINC001593507784 1349824293 /nfs/dbraw/zinc/82/42/93/1349824293.db2.gz VIAAEPOZBKJYDC-CYBMUJFWSA-N -1 1 338.396 2.044 20 0 EEADMM OC[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCCC1 ZINC001593526748 1349830963 /nfs/dbraw/zinc/83/09/63/1349830963.db2.gz OBGSADKUWLWTPJ-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM c1sc(CN[C@H](c2ccccn2)C2CCC2)nc1-c1nnn[n-]1 ZINC001593570907 1349855546 /nfs/dbraw/zinc/85/55/46/1349855546.db2.gz NZAPYXVCUAFFEF-AWEZNQCLSA-N -1 1 327.417 2.349 20 0 EEADMM c1sc(CN[C@H](c2ccccn2)C2CCC2)nc1-c1nn[n-]n1 ZINC001593570907 1349855549 /nfs/dbraw/zinc/85/55/49/1349855549.db2.gz NZAPYXVCUAFFEF-AWEZNQCLSA-N -1 1 327.417 2.349 20 0 EEADMM c1ccc(C[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)cc1 ZINC001593574012 1349858034 /nfs/dbraw/zinc/85/80/34/1349858034.db2.gz VILQXBWGJAOMRG-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)cc1 ZINC001593574012 1349858038 /nfs/dbraw/zinc/85/80/38/1349858038.db2.gz VILQXBWGJAOMRG-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM Cc1c(F)nccc1CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001600013337 1349955535 /nfs/dbraw/zinc/95/55/35/1349955535.db2.gz HTCGRBCEHIUSFI-HNNXBMFYSA-N -1 1 343.358 2.270 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnc1Cl ZINC001600283901 1350010595 /nfs/dbraw/zinc/01/05/95/1350010595.db2.gz LSNDLTUVJCFEJD-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Cc1nn(-c2ccc(C)cc2)cc1CN1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600321986 1350020033 /nfs/dbraw/zinc/02/00/33/1350020033.db2.gz YZNQETTWPBEWOQ-SFHVURJKSA-N -1 1 343.427 2.147 20 0 EEADMM Cc1ccc([C@@H](NCCn2cc(C(=O)[O-])nn2)c2cccnc2)cc1 ZINC001600385855 1350036881 /nfs/dbraw/zinc/03/68/81/1350036881.db2.gz SFDBKPCTVOCKCX-QGZVFWFLSA-N -1 1 337.383 2.059 20 0 EEADMM Cc1nc2cc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc2o1 ZINC001600726696 1350122174 /nfs/dbraw/zinc/12/21/74/1350122174.db2.gz SXYTVZXTSDERRC-UHFFFAOYSA-N -1 1 347.352 2.339 20 0 EEADMM Cc1oc(CN(C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1C(=O)[O-] ZINC001600843775 1350149772 /nfs/dbraw/zinc/14/97/72/1350149772.db2.gz QTOUWMKCCPPJFT-UONOGXRCSA-N -1 1 327.352 2.352 20 0 EEADMM Cn1cc(Br)c(CNC2(C(=O)[O-])CCCCCC2)n1 ZINC001600927099 1350170388 /nfs/dbraw/zinc/17/03/88/1350170388.db2.gz QQDKVAQPDMMSGN-UHFFFAOYSA-N -1 1 330.226 2.450 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccccc1 ZINC001601328521 1350258141 /nfs/dbraw/zinc/25/81/41/1350258141.db2.gz LSSTYARTQAOGHV-AEFFLSMTSA-N -1 1 340.379 2.443 20 0 EEADMM O=C([O-])c1ccc(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC001601356526 1350265175 /nfs/dbraw/zinc/26/51/75/1350265175.db2.gz YUBOAWPSPVNJKO-UHFFFAOYSA-N -1 1 341.342 2.302 20 0 EEADMM O=C([O-])c1cc(C(=O)NCc2ccc(Nc3ccncc3)cc2)ccn1 ZINC001601540121 1350303609 /nfs/dbraw/zinc/30/36/09/1350303609.db2.gz ODBMUGNRUYOUPT-UHFFFAOYSA-N -1 1 348.362 2.270 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccccc3-n3ccnn3)[nH]c21 ZINC001601630631 1350323885 /nfs/dbraw/zinc/32/38/85/1350323885.db2.gz IHVMDGFCWAJTPF-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCN1C1CCCC1)c1ccc(F)cc1 ZINC001601651779 1350328448 /nfs/dbraw/zinc/32/84/48/1350328448.db2.gz LTHSXCMKKZWRBY-HOTGVXAUSA-N -1 1 334.391 2.127 20 0 EEADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601692726 1350340102 /nfs/dbraw/zinc/34/01/02/1350340102.db2.gz BEGPTIVBLYMIHK-CPCISQLKSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@]1(C(=O)Nc2n[nH]c3cc(O)ccc32)C[C@@H]1c1ccccc1 ZINC001601702940 1350342967 /nfs/dbraw/zinc/34/29/67/1350342967.db2.gz PMYKFMLQCYTOQN-ACJLOTCBSA-N -1 1 337.335 2.466 20 0 EEADMM O=C([O-])[C@@]1(O)CCN(Cc2oc3ccccc3c2Br)C1 ZINC001601723415 1350348146 /nfs/dbraw/zinc/34/81/46/1350348146.db2.gz LCWYHVMOKYNGOQ-CQSZACIVSA-N -1 1 340.173 2.217 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3ccccc3N3CCCCC3)C2)C1 ZINC001601746636 1350354498 /nfs/dbraw/zinc/35/44/98/1350354498.db2.gz LFKFNCFTQKEGLT-IBGZPJMESA-N -1 1 343.427 2.482 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc3c(c1)CCCO3)C[C@@H]2C(=O)[O-] ZINC001601780489 1350363272 /nfs/dbraw/zinc/36/32/72/1350363272.db2.gz JKSDIFCAVZEKOQ-XAUUPUKJSA-N -1 1 345.395 2.009 20 0 EEADMM O=C([O-])/C=C\c1ccc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)o1 ZINC001601874470 1350386866 /nfs/dbraw/zinc/38/68/66/1350386866.db2.gz QKCQQBBIXONEHX-VIHMKRCTSA-N -1 1 340.379 2.034 20 0 EEADMM O=C([O-])/C=C/c1ccc(CNCCOCC(F)(F)C(F)F)o1 ZINC001601879194 1350388929 /nfs/dbraw/zinc/38/89/29/1350388929.db2.gz OKVCKHJFJDEQLM-ONEGZZNKSA-N -1 1 325.258 2.384 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCC1 ZINC001601903337 1350393787 /nfs/dbraw/zinc/39/37/87/1350393787.db2.gz QCSSAEIQKBWOEM-OAHLLOKOSA-N -1 1 328.368 2.291 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001601969481 1350407719 /nfs/dbraw/zinc/40/77/19/1350407719.db2.gz XRZLNZQZTJXWFB-JKSUJKDBSA-N -1 1 348.468 2.070 20 0 EEADMM O=C([O-])c1cc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c[nH]1 ZINC001602260708 1350480656 /nfs/dbraw/zinc/48/06/56/1350480656.db2.gz WVQGGMLETVGICL-INIZCTEOSA-N -1 1 327.384 2.166 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC001602271971 1350482649 /nfs/dbraw/zinc/48/26/49/1350482649.db2.gz OGWAHNIGZBBHGR-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC001602271971 1350482653 /nfs/dbraw/zinc/48/26/53/1350482653.db2.gz OGWAHNIGZBBHGR-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])c1cc(N2CCN(Cc3cccc4cccnc43)CC2)ncn1 ZINC001602278695 1350484406 /nfs/dbraw/zinc/48/44/06/1350484406.db2.gz LXAYCOAYXDHPFN-UHFFFAOYSA-N -1 1 349.394 2.045 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC001602310551 1350490453 /nfs/dbraw/zinc/49/04/53/1350490453.db2.gz KGFBAUNSCUGBLM-SWLSCSKDSA-N -1 1 344.419 2.446 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)cc1F ZINC001602320477 1350493528 /nfs/dbraw/zinc/49/35/28/1350493528.db2.gz XKMJCFRNLVBUAK-HNNXBMFYSA-N -1 1 342.370 2.181 20 0 EEADMM O=C([O-])c1ccc(OCCNc2nc(Cl)nc3[nH]cnc32)cc1 ZINC001602390882 1350509150 /nfs/dbraw/zinc/50/91/50/1350509150.db2.gz VMCYSUHECBRMCY-UHFFFAOYSA-N -1 1 333.735 2.147 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)C[C@H](O)c1ccccc1)CC2 ZINC001602421226 1350515521 /nfs/dbraw/zinc/51/55/21/1350515521.db2.gz YUNQZWABVIOVTQ-OALUTQOASA-N -1 1 341.407 2.228 20 0 EEADMM O=C([O-])c1cccc(Br)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001602430273 1350517464 /nfs/dbraw/zinc/51/74/64/1350517464.db2.gz ATKKPIPMLZRHGW-LBPRGKRZSA-N -1 1 326.190 2.104 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1C[C@H](O)C2(CC2)C1 ZINC001602430273 1350517466 /nfs/dbraw/zinc/51/74/66/1350517466.db2.gz ATKKPIPMLZRHGW-LBPRGKRZSA-N -1 1 326.190 2.104 20 0 EEADMM 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EEADMM CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001605762849 1351221823 /nfs/dbraw/zinc/22/18/23/1351221823.db2.gz GKAKOSWAMJZZLC-VIFPVBQESA-N -1 1 329.271 2.143 20 0 EEADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001605837233 1351232675 /nfs/dbraw/zinc/23/26/75/1351232675.db2.gz XZMSMDFAUCMAAO-JCGIZDLHSA-N -1 1 344.455 2.360 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001605864401 1351240619 /nfs/dbraw/zinc/24/06/19/1351240619.db2.gz BSSIAXXWGVNRLS-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001605864401 1351240623 /nfs/dbraw/zinc/24/06/23/1351240623.db2.gz BSSIAXXWGVNRLS-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1[nH]nc(NC(=O)COc2cccc(C(C)C)c2)c1-c1nn[n-]n1 ZINC001606012902 1351263708 /nfs/dbraw/zinc/26/37/08/1351263708.db2.gz ALZIPKDLWXBJRS-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM Cc1nsc(N(C)C(=O)c2oc(C3CC3)nc2C)c1-c1nnn[n-]1 ZINC001606040018 1351265210 /nfs/dbraw/zinc/26/52/10/1351265210.db2.gz LVEQYFNWQPQCFJ-UHFFFAOYSA-N -1 1 345.388 2.082 20 0 EEADMM Cc1nsc(N(C)C(=O)c2oc(C3CC3)nc2C)c1-c1nn[n-]n1 ZINC001606040018 1351265211 /nfs/dbraw/zinc/26/52/11/1351265211.db2.gz LVEQYFNWQPQCFJ-UHFFFAOYSA-N -1 1 345.388 2.082 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC001606165570 1351280135 /nfs/dbraw/zinc/28/01/35/1351280135.db2.gz ZGTLBPJJXJUWBN-UHFFFAOYSA-N -1 1 340.387 2.106 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cccc(N(C)C)c1 ZINC001606165570 1351280138 /nfs/dbraw/zinc/28/01/38/1351280138.db2.gz ZGTLBPJJXJUWBN-UHFFFAOYSA-N -1 1 340.387 2.106 20 0 EEADMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606498835 1351312539 /nfs/dbraw/zinc/31/25/39/1351312539.db2.gz PBDMSVRMTMPAHM-YUMQZZPRSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606498835 1351312541 /nfs/dbraw/zinc/31/25/41/1351312541.db2.gz PBDMSVRMTMPAHM-YUMQZZPRSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc(Cl)c1 ZINC001606562389 1351322984 /nfs/dbraw/zinc/32/29/84/1351322984.db2.gz YSRZMSPMAWUEBS-UHFFFAOYSA-N -1 1 332.703 2.153 20 0 EEADMM O=C(NC[C@@H]1CCCC12CC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606727909 1351348181 /nfs/dbraw/zinc/34/81/81/1351348181.db2.gz VDHIPVJETMGZMS-JTQLQIEISA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NC[C@@H]1CCCC12CC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606727909 1351348184 /nfs/dbraw/zinc/34/81/84/1351348184.db2.gz VDHIPVJETMGZMS-JTQLQIEISA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606776558 1351355374 /nfs/dbraw/zinc/35/53/74/1351355374.db2.gz SVOOGEGENURCFB-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606776558 1351355377 /nfs/dbraw/zinc/35/53/77/1351355377.db2.gz SVOOGEGENURCFB-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccc2occc2c1 ZINC001606843915 1351366064 /nfs/dbraw/zinc/36/60/64/1351366064.db2.gz GADSWXDEQLMNLP-UHFFFAOYSA-N -1 1 341.356 2.391 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccc2occc2c1 ZINC001606843915 1351366066 /nfs/dbraw/zinc/36/60/66/1351366066.db2.gz GADSWXDEQLMNLP-UHFFFAOYSA-N -1 1 341.356 2.391 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1Cc2ccccc2C1 ZINC001606950097 1351383095 /nfs/dbraw/zinc/38/30/95/1351383095.db2.gz PUWJCDFGMUKVED-UHFFFAOYSA-N -1 1 346.803 2.330 20 0 EEADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1ccsc1-c1nnn[n-]1 ZINC001606967789 1351386666 /nfs/dbraw/zinc/38/66/66/1351386666.db2.gz QBZSNVKYXISMNZ-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1ccsc1-c1nn[n-]n1 ZINC001606967789 1351386674 /nfs/dbraw/zinc/38/66/74/1351386674.db2.gz QBZSNVKYXISMNZ-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2ccccn2)C1 ZINC001607017086 1351398310 /nfs/dbraw/zinc/39/83/10/1351398310.db2.gz OHBWDNZVDVVBNH-LLVKDONJSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2ccccn2)C1 ZINC001607017086 1351398314 /nfs/dbraw/zinc/39/83/14/1351398314.db2.gz OHBWDNZVDVVBNH-LLVKDONJSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccccc1NCc1ccc(-c2nnn[n-]2)o1)N1CCCC1 ZINC001607023812 1351399410 /nfs/dbraw/zinc/39/94/10/1351399410.db2.gz IMIXYIOQNJRJGE-UHFFFAOYSA-N -1 1 338.371 2.308 20 0 EEADMM O=C(c1ccccc1NCc1ccc(-c2nn[n-]n2)o1)N1CCCC1 ZINC001607023812 1351399414 /nfs/dbraw/zinc/39/94/14/1351399414.db2.gz IMIXYIOQNJRJGE-UHFFFAOYSA-N -1 1 338.371 2.308 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2ccc(F)c(F)c2C1 ZINC001607026966 1351400183 /nfs/dbraw/zinc/40/01/83/1351400183.db2.gz IPUZUPTWAQBKQZ-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2ccc(F)c(F)c2C1 ZINC001607026966 1351400184 /nfs/dbraw/zinc/40/01/84/1351400184.db2.gz IPUZUPTWAQBKQZ-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc(-c2ccsc2)cc1 ZINC001607090065 1351414044 /nfs/dbraw/zinc/41/40/44/1351414044.db2.gz SZGYHDHUOMNFST-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)c1 ZINC001607116652 1351425602 /nfs/dbraw/zinc/42/56/02/1351425602.db2.gz QEQGPOOZMINWKI-SNVBAGLBSA-N -1 1 339.359 2.128 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)c1 ZINC001607116652 1351425604 /nfs/dbraw/zinc/42/56/04/1351425604.db2.gz QEQGPOOZMINWKI-SNVBAGLBSA-N -1 1 339.359 2.128 20 0 EEADMM c1ccc2c(c1)C[C@H](CNc1cc(-c3nnn[n-]3)nc(C3CC3)n1)CO2 ZINC001607131439 1351432720 /nfs/dbraw/zinc/43/27/20/1351432720.db2.gz DADYKYCRBBVMQZ-LLVKDONJSA-N -1 1 349.398 2.197 20 0 EEADMM c1ccc2c(c1)C[C@H](CNc1cc(-c3nn[n-]n3)nc(C3CC3)n1)CO2 ZINC001607131439 1351432721 /nfs/dbraw/zinc/43/27/21/1351432721.db2.gz DADYKYCRBBVMQZ-LLVKDONJSA-N -1 1 349.398 2.197 20 0 EEADMM c1nc(Sc2n[nH]c(CCC3CCCC3)n2)cc(-c2nnn[n-]2)n1 ZINC001607137237 1351436079 /nfs/dbraw/zinc/43/60/79/1351436079.db2.gz MSQMHLNFUOPHNH-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1nc(Sc2n[nH]c(CCC3CCCC3)n2)cc(-c2nn[n-]n2)n1 ZINC001607137237 1351436082 /nfs/dbraw/zinc/43/60/82/1351436082.db2.gz MSQMHLNFUOPHNH-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM COc1ccc(OC)c([C@@H](O)[C@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC001607279326 1351464147 /nfs/dbraw/zinc/46/41/47/1351464147.db2.gz KVZCSQSTSVAXSE-QFYYESIMSA-N -1 1 335.356 2.207 20 0 EEADMM COc1ccc2cc(CN3CCC[C@H]3C(=O)NCC(=O)[O-])ccc2c1 ZINC001607302049 1351468442 /nfs/dbraw/zinc/46/84/42/1351468442.db2.gz ISWWZTYIIZJLIB-KRWDZBQOSA-N -1 1 342.395 2.014 20 0 EEADMM COc1cccc([C@H](N)C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607313682 1351471477 /nfs/dbraw/zinc/47/14/77/1351471477.db2.gz QVSQKEVRTCQQSI-ZBFHGGJFSA-N -1 1 334.416 2.092 20 0 EEADMM COc1cccc2c1CC[C@]2(CO)NCc1csc(C(=O)[O-])c1 ZINC001607333366 1351476484 /nfs/dbraw/zinc/47/64/84/1351476484.db2.gz CPBULWJCEPENAK-QGZVFWFLSA-N -1 1 333.409 2.379 20 0 EEADMM COc1nsc(CN2CCC(c3nccc(C)n3)CC2)c1C(=O)[O-] ZINC001607362628 1351482744 /nfs/dbraw/zinc/48/27/44/1351482744.db2.gz ADFKCNSFGNPTQT-UHFFFAOYSA-N -1 1 348.428 2.328 20 0 EEADMM COc1nsc(CN2CCC(Nc3ccccn3)CC2)c1C(=O)[O-] ZINC001607363268 1351482784 /nfs/dbraw/zinc/48/27/84/1351482784.db2.gz OGKHCGKQWCPPTJ-UHFFFAOYSA-N -1 1 348.428 2.321 20 0 EEADMM C[Si](C)(C)c1ccc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)cc1 ZINC001607482426 1351501490 /nfs/dbraw/zinc/50/14/90/1351501490.db2.gz WMXZZAYXAXHAHM-QGZVFWFLSA-N -1 1 332.476 2.037 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)n1C ZINC001607510767 1351508206 /nfs/dbraw/zinc/50/82/06/1351508206.db2.gz FUWKYJZORLPXFR-NSHDSACASA-N -1 1 339.436 2.377 20 0 EEADMM Cc1cc(CNCc2ccc(C(=O)[O-])c(Br)c2)n(C)n1 ZINC001607648307 1351532913 /nfs/dbraw/zinc/53/29/13/1351532913.db2.gz HGEULSBBUZTJQD-UHFFFAOYSA-N -1 1 338.205 2.479 20 0 EEADMM Cc1ccccc1CCN(C)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001607880990 1351578379 /nfs/dbraw/zinc/57/83/79/1351578379.db2.gz ZDPLHZKIJCUEPE-HNNXBMFYSA-N -1 1 332.444 2.181 20 0 EEADMM Cc1nn(C)c(C)c1CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001607999366 1351600927 /nfs/dbraw/zinc/60/09/27/1351600927.db2.gz PCWMVHLOIQZAGB-UHFFFAOYSA-N -1 1 341.371 2.183 20 0 EEADMM Cc1sc(NC(=O)CN2C[C@@H](C)N(C)[C@@H](C)C2)c(C(=O)[O-])c1C ZINC001608071921 1351619172 /nfs/dbraw/zinc/61/91/72/1351619172.db2.gz USLPOPNYRJHQSA-AOOOYVTPSA-N -1 1 339.461 2.026 20 0 EEADMM NC(=O)c1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001608244317 1351654669 /nfs/dbraw/zinc/65/46/69/1351654669.db2.gz SNMGRSFFBDGFJL-UHFFFAOYSA-N -1 1 325.368 2.046 20 0 EEADMM O=C([O-])c1cccc(OCCOC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC001608372241 1351681249 /nfs/dbraw/zinc/68/12/49/1351681249.db2.gz KTLDEVZIXXAEOE-UHFFFAOYSA-N -1 1 344.367 2.151 20 0 EEADMM O=S(=O)([N-]c1ccc(-n2cncn2)cc1)c1ccc(Cl)nc1 ZINC000026539914 1352371388 /nfs/dbraw/zinc/37/13/88/1352371388.db2.gz VNOPZCSUOOUPKC-UHFFFAOYSA-N -1 1 335.776 2.117 20 0 EEADMM COc1ccccc1[C@H](NC(=O)c1ccc([O-])cn1)c1nccn1C ZINC001623833537 1352406745 /nfs/dbraw/zinc/40/67/45/1352406745.db2.gz BQSNVKNSOZDNSZ-INIZCTEOSA-N -1 1 338.367 2.049 20 0 EEADMM O=S(=O)([N-]C[C@H](O)Cc1cccc(F)c1)c1cc2ccccc2o1 ZINC001669439302 1356159749 /nfs/dbraw/zinc/15/97/49/1356159749.db2.gz FKOIAHJAHAXTSO-OAHLLOKOSA-N -1 1 349.383 2.454 20 0 EEADMM Cc1ccc(C)c(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001487903911 1368738397 /nfs/dbraw/zinc/73/83/97/1368738397.db2.gz ROHBQIGCTZSYDS-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1cccs1)NC(=O)c1ncccc1[O-] ZINC001488494221 1368997523 /nfs/dbraw/zinc/99/75/23/1368997523.db2.gz RDYSOLATILFZGB-ZDUSSCGKSA-N -1 1 347.440 2.423 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C1(F)CCCC1)NC(=O)c1ncccc1[O-] ZINC001488777901 1369066628 /nfs/dbraw/zinc/06/66/28/1369066628.db2.gz CHPGXUMYQRWIAH-VXGBXAGGSA-N -1 1 337.395 2.083 20 0 EEADMM O=C([N-]N1CCOC1=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000862695287 1369545031 /nfs/dbraw/zinc/54/50/31/1369545031.db2.gz HGPQKTTYGSBFSO-UHFFFAOYSA-N -1 1 346.364 2.283 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2cccs2)C1 ZINC000864429706 1369600503 /nfs/dbraw/zinc/60/05/03/1369600503.db2.gz YYNFRGKPIFDNRV-LBPRGKRZSA-N -1 1 335.351 2.101 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1cnc2nccnc2c1 ZINC000783904823 1371372908 /nfs/dbraw/zinc/37/29/08/1371372908.db2.gz BRHYITZCNFNWBI-UHFFFAOYSA-N -1 1 346.144 2.140 20 0 EEADMM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2c[nH]nc2Cl)C1 ZINC000830409526 1372327540 /nfs/dbraw/zinc/32/75/40/1372327540.db2.gz DXRWUUVIIBOIKQ-UHFFFAOYSA-N -1 1 325.821 2.462 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831126081 1372365503 /nfs/dbraw/zinc/36/55/03/1372365503.db2.gz XGIYQRUUMYQBBU-UHFFFAOYSA-N -1 1 343.349 2.264 20 0 EEADMM CC(C)c1scnc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831126124 1372365707 /nfs/dbraw/zinc/36/57/07/1372365707.db2.gz YNGZDQRYUGMJIT-UHFFFAOYSA-N -1 1 335.351 2.017 20 0 EEADMM Cc1ccc(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c(C)c1 ZINC000831157849 1372369042 /nfs/dbraw/zinc/36/90/42/1372369042.db2.gz CAWAARHVWKZDPH-UHFFFAOYSA-N -1 1 342.361 2.373 20 0 EEADMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c([O-])c(F)c2)CC1=O ZINC001140991045 1372730842 /nfs/dbraw/zinc/73/08/42/1372730842.db2.gz VWQBGUIXXAGPRK-UHFFFAOYSA-N -1 1 342.342 2.250 20 0 EEADMM CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC001361875058 1373350816 /nfs/dbraw/zinc/35/08/16/1373350816.db2.gz BKEZRXSEZLGUHC-LBPRGKRZSA-N -1 1 340.832 2.182 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(=O)[n-]1 ZINC001362474682 1373420186 /nfs/dbraw/zinc/42/01/86/1373420186.db2.gz YGYYFAGADKCVIP-SCRDCRAPSA-N -1 1 327.409 2.220 20 0 EEADMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc([O-])cn1 ZINC001362505310 1373424384 /nfs/dbraw/zinc/42/43/84/1373424384.db2.gz RFWHUJDIFHJJPW-CYBMUJFWSA-N -1 1 337.173 2.013 20 0 EEADMM CC(=O)OCCc1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC001362561708 1373431525 /nfs/dbraw/zinc/43/15/25/1373431525.db2.gz KZRCAUVMZIWITC-UHFFFAOYSA-N -1 1 341.367 2.418 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1nc(C(C)C)ncc1Br ZINC001362659973 1373444767 /nfs/dbraw/zinc/44/47/67/1373444767.db2.gz XHTOKXQVXCTQAJ-UHFFFAOYSA-N -1 1 340.181 2.352 20 0 EEADMM Cc1oc(C)c(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1C ZINC001370556375 1374990149 /nfs/dbraw/zinc/99/01/49/1374990149.db2.gz NWARTHNRXIAXOF-SNVBAGLBSA-N -1 1 345.399 2.196 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)CCCF ZINC001372210650 1375858681 /nfs/dbraw/zinc/85/86/81/1375858681.db2.gz LDQWHXLEFUWNOQ-STQMWFEESA-N -1 1 337.395 2.036 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccoc1CC ZINC001374116824 1376585404 /nfs/dbraw/zinc/58/54/04/1376585404.db2.gz FTIYJEKNBRLGBU-UHFFFAOYSA-N -1 1 345.399 2.225 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](C)C1CCC1 ZINC001374118813 1376587221 /nfs/dbraw/zinc/58/72/21/1376587221.db2.gz SHAQSDFXFSWQKW-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1cccc(F)c1)NC(=O)c1ncccc1[O-] ZINC001375932886 1378175411 /nfs/dbraw/zinc/17/54/11/1378175411.db2.gz GTISHDBAIYNOFC-CQSZACIVSA-N -1 1 345.374 2.111 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001377356519 1379162371 /nfs/dbraw/zinc/16/23/71/1379162371.db2.gz GTFSHWLWOFNLST-SNVBAGLBSA-N -1 1 333.413 2.014 20 0 EEADMM CCC(CC)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001383237493 1382409707 /nfs/dbraw/zinc/40/97/07/1382409707.db2.gz YSBJPPYAQQAKHU-AWEZNQCLSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(F)(F)F ZINC001384522109 1384403328 /nfs/dbraw/zinc/40/33/28/1384403328.db2.gz CETXQTAZOMZDTK-ZJUUUORDSA-N -1 1 347.337 2.143 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cccc(Cl)c1 ZINC001387179129 1386553778 /nfs/dbraw/zinc/55/37/78/1386553778.db2.gz IABULQHTCXQEMV-UHFFFAOYSA-N -1 1 347.802 2.333 20 0 EEADMM CCC(CC)C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001387345130 1386662945 /nfs/dbraw/zinc/66/29/45/1386662945.db2.gz ZUGUFLWQTBMRBC-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CCCN(CCNC(=O)[C@H](C)C1CCC1)C(=O)c1ncccc1[O-] ZINC001387431942 1386729419 /nfs/dbraw/zinc/72/94/19/1386729419.db2.gz XGADLCHQTQTDFS-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CCCc1occc1C(=O)NC[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001395127726 1390790894 /nfs/dbraw/zinc/79/08/94/1390790894.db2.gz BZEXBPIQAWKSKT-GFCCVEGCSA-N -1 1 345.399 2.223 20 0 EEADMM CN(CCNC(=O)c1cc(Cl)cs1)C(=O)c1ncccc1[O-] ZINC001397916317 1391550769 /nfs/dbraw/zinc/55/07/69/1391550769.db2.gz WKRKERAWSKIJOY-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM Cc1occc1C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001399462156 1395121451 /nfs/dbraw/zinc/12/14/51/1395121451.db2.gz CVARHIWTFOQMGU-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC(C)(C)C1 ZINC001399571057 1395261983 /nfs/dbraw/zinc/26/19/83/1395261983.db2.gz HKVNDJYIJRJIBV-CYBMUJFWSA-N -1 1 333.432 2.094 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])[C@H](C)c1nnc(C)s1 ZINC001399955038 1395740753 /nfs/dbraw/zinc/74/07/53/1395740753.db2.gz JQFQDRUXRAYJIS-LLVKDONJSA-N -1 1 349.460 2.150 20 0 EEADMM C[C@H](CC(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001400967298 1396770431 /nfs/dbraw/zinc/77/04/31/1396770431.db2.gz RURAJMBOHKDFKC-YJYMSZOUSA-N -1 1 345.443 2.192 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])Cc1cccc(F)c1F ZINC001401361775 1397191084 /nfs/dbraw/zinc/19/10/84/1397191084.db2.gz HGTQGRVRVQOHIU-UHFFFAOYSA-N -1 1 335.354 2.269 20 0 EEADMM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(C)ns2)cc1 ZINC001424829911 1401256936 /nfs/dbraw/zinc/25/69/36/1401256936.db2.gz LEWOWYACDIDVFW-UHFFFAOYSA-N -1 1 326.443 2.371 20 0 EEADMM O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC(c2nn[n-]n2)CC1 ZINC001425482554 1401577796 /nfs/dbraw/zinc/57/77/96/1401577796.db2.gz QIRGHOSKMOYPFH-UHFFFAOYSA-N -1 1 341.297 2.025 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)C12CCC(CC1)CC2 ZINC001426620044 1402120683 /nfs/dbraw/zinc/12/06/83/1402120683.db2.gz ZSIZGJAPTWITNN-VFPJAPOESA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](C)C(=O)N[C@@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001426915854 1402251508 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CCOC(=O)c1c(C)csc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578252162 1403728188 /nfs/dbraw/zinc/72/81/88/1403728188.db2.gz MMIWUFCOKBGMCG-UHFFFAOYSA-N -1 1 347.356 2.259 20 0 EEADMM CCOC(=O)c1c(C)csc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578252162 1403728196 /nfs/dbraw/zinc/72/81/96/1403728196.db2.gz MMIWUFCOKBGMCG-UHFFFAOYSA-N -1 1 347.356 2.259 20 0 EEADMM COc1ncc(NC(=O)c2ccc3c(c2)CCC=C3)cc1-c1nn[n-]n1 ZINC001580139992 1403832937 /nfs/dbraw/zinc/83/29/37/1403832937.db2.gz PAXXZPXQDWODCW-UHFFFAOYSA-N -1 1 348.366 2.482 20 0 EEADMM CCOc1ccc(-c2noc(-c3cc(-c4nnn[n-]4)oc3C)n2)cn1 ZINC001590834531 1403900492 /nfs/dbraw/zinc/90/04/92/1403900492.db2.gz LOMTZXVAPPXWJR-UHFFFAOYSA-N -1 1 339.315 2.279 20 0 EEADMM CCOc1ccc(-c2noc(-c3cc(-c4nn[n-]n4)oc3C)n2)cn1 ZINC001590834531 1403900496 /nfs/dbraw/zinc/90/04/96/1403900496.db2.gz LOMTZXVAPPXWJR-UHFFFAOYSA-N -1 1 339.315 2.279 20 0 EEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC[C@@H](C)C1 ZINC001591420224 1403912114 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Cc1oc2ncnc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)c2c1C ZINC001592500408 1404704868 /nfs/dbraw/zinc/70/48/68/1404704868.db2.gz AMEMLKSMXPAMBG-UHFFFAOYSA-N -1 1 339.315 2.173 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC001592500166 1404705057 /nfs/dbraw/zinc/70/50/57/1404705057.db2.gz UJXXJBUXPPIJOU-HNNXBMFYSA-N -1 1 345.403 2.189 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC001592500166 1404705062 /nfs/dbraw/zinc/70/50/62/1404705062.db2.gz UJXXJBUXPPIJOU-HNNXBMFYSA-N -1 1 345.403 2.189 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCc1ccc2c(c1)CCC2 ZINC001592915483 1404728965 /nfs/dbraw/zinc/72/89/65/1404728965.db2.gz XGBLYXCFKRBOHD-UHFFFAOYSA-N -1 1 335.367 2.036 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCc1ccc2c(c1)CCC2 ZINC001592915483 1404728970 /nfs/dbraw/zinc/72/89/70/1404728970.db2.gz XGBLYXCFKRBOHD-UHFFFAOYSA-N -1 1 335.367 2.036 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593061150 1404739733 /nfs/dbraw/zinc/73/97/33/1404739733.db2.gz INZFCFSBXYGVOC-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593061150 1404739737 /nfs/dbraw/zinc/73/97/37/1404739737.db2.gz INZFCFSBXYGVOC-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC=C(Cl)Cl)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593048078 1404739856 /nfs/dbraw/zinc/73/98/56/1404739856.db2.gz YEHPVEOZRUZGIP-UHFFFAOYSA-N -1 1 337.170 2.397 20 0 EEADMM Cc1nc(NCC2([C@H]3CCCCO3)CCC2)cc(-c2nnn[n-]2)n1 ZINC001606066482 1404761032 /nfs/dbraw/zinc/76/10/32/1404761032.db2.gz CNBQYPALSSJNBF-CYBMUJFWSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1nc(NCC2([C@H]3CCCCO3)CCC2)cc(-c2nn[n-]n2)n1 ZINC001606066482 1404761033 /nfs/dbraw/zinc/76/10/33/1404761033.db2.gz CNBQYPALSSJNBF-CYBMUJFWSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC001606166065 1404770384 /nfs/dbraw/zinc/77/03/84/1404770384.db2.gz NEVIDGJYADKOPL-LBPRGKRZSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](c2ccccn2)C1 ZINC001606166065 1404770390 /nfs/dbraw/zinc/77/03/90/1404770390.db2.gz NEVIDGJYADKOPL-LBPRGKRZSA-N -1 1 338.371 2.183 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(F)c1 ZINC001606327089 1404793135 /nfs/dbraw/zinc/79/31/35/1404793135.db2.gz VWWZZCUPCAEBNX-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001606327089 1404793138 /nfs/dbraw/zinc/79/31/38/1404793138.db2.gz VWWZZCUPCAEBNX-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@]1(C)CCO[C@@H]1C1CC1 ZINC001645669615 1404838027 /nfs/dbraw/zinc/83/80/27/1404838027.db2.gz CRXQPOBSHPBQFK-HUUCEWRRSA-N -1 1 347.383 2.209 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2Cc3ccncc3C2)c(=O)[n-]1 ZINC001645810771 1404858306 /nfs/dbraw/zinc/85/83/06/1404858306.db2.gz AEONKLRPAISOJJ-UHFFFAOYSA-N -1 1 330.413 2.083 20 0 EEADMM C[C@@H](CCCNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001756334465 1408340500 /nfs/dbraw/zinc/34/05/00/1408340500.db2.gz MWQHPIAZHMTDAG-LBPRGKRZSA-N 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ZINC000784147022 790281572 /nfs/dbraw/zinc/28/15/72/790281572.db2.gz USXKVKVUWNEPAT-AWEZNQCLSA-N -1 1 346.424 2.355 20 0 EEADMM Cc1conc1CN1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000997560410 790288845 /nfs/dbraw/zinc/28/88/45/790288845.db2.gz PCCWTVDUCXYXDW-ZDUSSCGKSA-N -1 1 344.415 2.114 20 0 EEADMM C[C@@H](CCC(C)(C)C)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001210678680 758093144 /nfs/dbraw/zinc/09/31/44/758093144.db2.gz VGVMFVHTONBMHP-STQMWFEESA-N -1 1 337.468 2.053 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@](C)(C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000780513810 761255251 /nfs/dbraw/zinc/25/52/51/761255251.db2.gz XLJOOAMIMAIXTE-KSSFIOAISA-N -1 1 349.431 2.277 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000780513811 761255730 /nfs/dbraw/zinc/25/57/30/761255730.db2.gz XLJOOAMIMAIXTE-RDTXWAMCSA-N -1 1 349.431 2.277 20 0 EEADMM CCc1cc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])nc(C)n1 ZINC001104536131 761707931 /nfs/dbraw/zinc/70/79/31/761707931.db2.gz HJSJZZAHLNZAJW-NSHDSACASA-N -1 1 329.404 2.021 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1OC ZINC000918726451 769348646 /nfs/dbraw/zinc/34/86/46/769348646.db2.gz MZFBHAKFYWJENA-UHFFFAOYSA-N -1 1 349.364 2.175 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673531 770828063 /nfs/dbraw/zinc/82/80/63/770828063.db2.gz PAZMQJNISJXGTO-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCN2Cc2cc(C)ccc2F)c1[O-] ZINC001027832620 773230250 /nfs/dbraw/zinc/23/02/50/773230250.db2.gz HLIFNTSZUOGQCX-CQSZACIVSA-N -1 1 346.406 2.266 20 0 EEADMM CC(C)=C(F)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979783983 773276171 /nfs/dbraw/zinc/27/61/71/773276171.db2.gz BMCPCGGVZYSKNP-RWMBFGLXSA-N -1 1 347.390 2.017 20 0 EEADMM O=C(NC1CCC(NC(=O)C2CCCC2)CC1)c1ncccc1[O-] ZINC000979985389 773662215 /nfs/dbraw/zinc/66/22/15/773662215.db2.gz SEJDMHZUOUDFKO-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM Cc1occc1C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980053512 773782334 /nfs/dbraw/zinc/78/23/34/773782334.db2.gz VLCHSAOMDRBZPV-UHFFFAOYSA-N -1 1 343.383 2.160 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC000942755683 783140380 /nfs/dbraw/zinc/14/03/80/783140380.db2.gz ITWNXDAGGKDJRH-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000938807725 774699495 /nfs/dbraw/zinc/69/94/95/774699495.db2.gz ZDRWRVLXTUSJTN-STQMWFEESA-N -1 1 333.432 2.142 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001060759487 775229976 /nfs/dbraw/zinc/22/99/76/775229976.db2.gz BKEJLJQPAGHQLM-KKUMJFAQSA-N -1 1 349.479 2.282 20 0 EEADMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000921497040 776011528 /nfs/dbraw/zinc/01/15/28/776011528.db2.gz GAMUTYHEZPVJAB-HTRCEHHLSA-N -1 1 328.192 2.446 20 0 EEADMM CSc1nc(NC(=O)[C@@H](OC(C)=O)c2ccccc2)cc(=O)[n-]1 ZINC001144912062 790411483 /nfs/dbraw/zinc/41/14/83/790411483.db2.gz OHYXTIAHEPBNLS-ZDUSSCGKSA-N -1 1 333.369 2.147 20 0 EEADMM Cc1cc(CN2CCCN(C(=O)c3n[nH]c(C)c3[O-])CC2)c(C)s1 ZINC000980979128 776225631 /nfs/dbraw/zinc/22/56/31/776225631.db2.gz IBOCGSHVEHUKOX-UHFFFAOYSA-N -1 1 348.472 2.450 20 0 EEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1F ZINC000060554469 790454656 /nfs/dbraw/zinc/45/46/56/790454656.db2.gz SNGHLBWEZXKVKO-UHFFFAOYSA-N -1 1 347.364 2.169 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000981207886 776792544 /nfs/dbraw/zinc/79/25/44/776792544.db2.gz OAHIBGXDTDTCJR-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000936899657 780068771 /nfs/dbraw/zinc/06/87/71/780068771.db2.gz KBBJNTFBCAMGBK-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1ccc(OCCCC(=O)NCCc2n[n-]c(=S)n2C)cc1 ZINC000067070124 780170161 /nfs/dbraw/zinc/17/01/61/780170161.db2.gz AFBPZXMCHYBLGC-UHFFFAOYSA-N -1 1 334.445 2.304 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)[C@@H]2CCc3cccc(OC)c3C2)[n-]1 ZINC001143536209 780172209 /nfs/dbraw/zinc/17/22/09/780172209.db2.gz PUGQHIOTIQOCNA-GFCCVEGCSA-N -1 1 343.383 2.339 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCc3cccc(OC)c3C2)n1 ZINC001143536209 780172214 /nfs/dbraw/zinc/17/22/14/780172214.db2.gz PUGQHIOTIQOCNA-GFCCVEGCSA-N -1 1 343.383 2.339 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC=CC1 ZINC000946297425 790818772 /nfs/dbraw/zinc/81/87/72/790818772.db2.gz DNTBZMYQLSTORU-KBPBESRZSA-N -1 1 343.427 2.158 20 0 EEADMM O=C(N[C@H]1CC[C@H](Nc2ncc(Cl)cn2)CC1)c1ncccc1[O-] ZINC001063364943 790849861 /nfs/dbraw/zinc/84/98/61/790849861.db2.gz PEQBROBLEPOGLP-HAQNSBGRSA-N -1 1 347.806 2.384 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000945561617 784321385 /nfs/dbraw/zinc/32/13/85/784321385.db2.gz JZNXTAAOGOPQCL-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000945611851 784502554 /nfs/dbraw/zinc/50/25/54/784502554.db2.gz XIPCMWHTDQTVTA-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC000945611856 784502939 /nfs/dbraw/zinc/50/29/39/784502939.db2.gz XKFGHSARRCQYGT-QJXJPNQISA-N -1 1 343.427 2.110 20 0 EEADMM O=C(c1cccc(C(F)F)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477838 784647198 /nfs/dbraw/zinc/64/71/98/784647198.db2.gz VCQVLXGBGDWEPG-SNVBAGLBSA-N -1 1 325.344 2.068 20 0 EEADMM O=C(CCSCc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478298 784647402 /nfs/dbraw/zinc/64/74/02/784647402.db2.gz ILQCQJBRNBSZJO-CYBMUJFWSA-N -1 1 349.485 2.140 20 0 EEADMM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478576 784658436 /nfs/dbraw/zinc/65/84/36/784658436.db2.gz WEQCOUCIFFPVTA-LBPRGKRZSA-N -1 1 348.819 2.265 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063444936 791050968 /nfs/dbraw/zinc/05/09/68/791050968.db2.gz MOWSNILYGBYQSB-CQSZACIVSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n[nH]1 ZINC000907824805 784891798 /nfs/dbraw/zinc/89/17/98/784891798.db2.gz WWALOBMWYRQGRV-BKGUAONASA-N -1 1 327.384 2.024 20 0 EEADMM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1C ZINC000907956811 784986121 /nfs/dbraw/zinc/98/61/21/784986121.db2.gz IQEJEFHJRADSTH-CYBMUJFWSA-N -1 1 329.356 2.306 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945870517 785001153 /nfs/dbraw/zinc/00/11/53/785001153.db2.gz QUOZMHDWSVISEV-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cccc3nc[nH]c31)CCS2 ZINC000908174106 785138544 /nfs/dbraw/zinc/13/85/44/785138544.db2.gz SXEOIUYAVIJHCI-VVHFOWEKSA-N -1 1 345.424 2.422 20 0 EEADMM CC1(C)C[C@](C)(NC(=O)c2ccc3ccc(O)cc3c2[O-])C(=O)O1 ZINC000908448945 785424064 /nfs/dbraw/zinc/42/40/64/785424064.db2.gz MUCPWUWMEUJZFH-SFHVURJKSA-N -1 1 329.352 2.465 20 0 EEADMM O=C(N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC000946108995 785567380 /nfs/dbraw/zinc/56/73/80/785567380.db2.gz IGQIZLRHYXNPBE-YPMHNXCESA-N -1 1 345.424 2.177 20 0 EEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])[C@H]1CC=CCC1 ZINC000995740667 785597788 /nfs/dbraw/zinc/59/77/88/785597788.db2.gz VLBQLEXBMAOEAS-XGUBFFRZSA-N -1 1 341.411 2.005 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000946127489 785617656 /nfs/dbraw/zinc/61/76/56/785617656.db2.gz XPCVKMBDFFPRNU-CHWSQXEVSA-N -1 1 343.383 2.017 20 0 EEADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000819876056 785693849 /nfs/dbraw/zinc/69/38/49/785693849.db2.gz KWBSJDDVJRBNFM-ZDUSSCGKSA-N -1 1 347.383 2.283 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccc(F)c1)N(C)C)C1CC1 ZINC000908755460 785702343 /nfs/dbraw/zinc/70/23/43/785702343.db2.gz YHLHCFRRGPNNPS-IAQYHMDHSA-N -1 1 337.395 2.076 20 0 EEADMM O=C(c1c[nH]c2cccc(F)c21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819968079 785723156 /nfs/dbraw/zinc/72/31/56/785723156.db2.gz AMRIDIZLOCYNOH-SECBINFHSA-N -1 1 330.319 2.415 20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000908799186 785733972 /nfs/dbraw/zinc/73/39/72/785733972.db2.gz PLUOGDYAKMQQGV-CQSZACIVSA-N -1 1 332.400 2.211 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC000908799186 785733977 /nfs/dbraw/zinc/73/39/77/785733977.db2.gz PLUOGDYAKMQQGV-CQSZACIVSA-N -1 1 332.400 2.211 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000908813531 785747013 /nfs/dbraw/zinc/74/70/13/785747013.db2.gz LKRBUAHTOOSJSD-AAEUAGOBSA-N -1 1 327.450 2.246 20 0 EEADMM CC1(C)CN(C(=O)C2(C)CCCCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000995904874 785804027 /nfs/dbraw/zinc/80/40/27/785804027.db2.gz SHJKMIUNNXOEKA-ZDUSSCGKSA-N -1 1 349.479 2.197 20 0 EEADMM CN(CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)[C@H]1CCSC1 ZINC000908936241 785859287 /nfs/dbraw/zinc/85/92/87/785859287.db2.gz IHPGPUHSCHTSRN-LSDHHAIUSA-N -1 1 336.457 2.146 20 0 EEADMM CC1(C)CN(C(=O)CC2(C)CCCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996035393 785950015 /nfs/dbraw/zinc/95/00/15/785950015.db2.gz QZMOHNVMAYQBDO-ZDUSSCGKSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C(=O)[O-] ZINC000909126225 786008595 /nfs/dbraw/zinc/00/85/95/786008595.db2.gz NBNIBROEYBNYBG-JOYOIKCWSA-N -1 1 347.337 2.080 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc(CN2CCCCC2)o1)CC1CC1 ZINC000909881554 786311586 /nfs/dbraw/zinc/31/15/86/786311586.db2.gz AJUKZLWQIJTEAX-CQSZACIVSA-N -1 1 334.416 2.496 20 0 EEADMM CC(C)(c1ccccc1)C1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000909931264 786344795 /nfs/dbraw/zinc/34/47/95/786344795.db2.gz AUSGGCLZABMLTN-HNNXBMFYSA-N -1 1 344.455 2.410 20 0 EEADMM CCNC(=O)NC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909977073 786370866 /nfs/dbraw/zinc/37/08/66/786370866.db2.gz DNBPMURITCOXEM-UHFFFAOYSA-N -1 1 327.331 2.241 20 0 EEADMM CC1CCN(CC(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])CC1 ZINC000910098850 786447074 /nfs/dbraw/zinc/44/70/74/786447074.db2.gz AHDJJHUMNAIMGA-HXUWFJFHSA-N -1 1 344.455 2.407 20 0 EEADMM CCN(C)[C@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000910121281 786479571 /nfs/dbraw/zinc/47/95/71/786479571.db2.gz SLKPKWXIGBXNNQ-KRWDZBQOSA-N -1 1 348.443 2.067 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cc2s1 ZINC000910170716 786494049 /nfs/dbraw/zinc/49/40/49/786494049.db2.gz NERNPPAYHJVVHJ-LLVKDONJSA-N -1 1 347.440 2.226 20 0 EEADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccnc4ccnn43)no2)c1 ZINC000820892157 786517934 /nfs/dbraw/zinc/51/79/34/786517934.db2.gz LRDHMNQYRURPIJ-UHFFFAOYSA-N -1 1 336.311 2.110 20 0 EEADMM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(=O)[O-] ZINC000910311777 786640721 /nfs/dbraw/zinc/64/07/21/786640721.db2.gz DXJCORZOHADLBM-XNJGSVPQSA-N -1 1 347.802 2.369 20 0 EEADMM CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910981379 787161734 /nfs/dbraw/zinc/16/17/34/787161734.db2.gz QBFNORZRWSOPJO-SECBINFHSA-N -1 1 328.315 2.477 20 0 EEADMM Cc1ncc(C(=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000911105106 787244941 /nfs/dbraw/zinc/24/49/41/787244941.db2.gz PDCTWZVTPSCTMH-MRXNPFEDSA-N -1 1 345.374 2.260 20 0 EEADMM 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/nfs/dbraw/zinc/21/64/62/577216462.db2.gz ADZBHITXZPNRRS-UHFFFAOYSA-N -1 1 330.359 2.487 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CCc2cnc(C)s2)c(F)c1 ZINC000771954918 577241215 /nfs/dbraw/zinc/24/12/15/577241215.db2.gz FETMCJGQYBYAKW-UHFFFAOYSA-N -1 1 348.396 2.259 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733569984 577245621 /nfs/dbraw/zinc/24/56/21/577245621.db2.gz JBJWSCUZQPTCFL-UKRRQHHQSA-N -1 1 333.384 2.082 20 0 EEADMM C[C@H]1CCCC[C@H]1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000733569982 577245642 /nfs/dbraw/zinc/24/56/42/577245642.db2.gz JBJWSCUZQPTCFL-DZGCQCFKSA-N -1 1 333.384 2.082 20 0 EEADMM O=C(c1cc2c(s1)CCCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773149546 577319267 /nfs/dbraw/zinc/31/92/67/577319267.db2.gz FZHCNIOEBUPDHT-SNVBAGLBSA-N -1 1 335.458 2.070 20 0 EEADMM Cc1ccccc1[C@@H](C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773150625 577319303 /nfs/dbraw/zinc/31/93/03/577319303.db2.gz HSWFIKVJDFFAEI-JSGCOSHPSA-N -1 1 331.445 2.318 20 0 EEADMM O=C(c1csc2ccccc12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773165734 577320303 /nfs/dbraw/zinc/32/03/03/577320303.db2.gz ZZSIQQIJGJULPV-NSHDSACASA-N -1 1 331.426 2.345 20 0 EEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)CC(F)(F)C(F)F)n2)cc1 ZINC000774003278 577377850 /nfs/dbraw/zinc/37/78/50/577377850.db2.gz AWRQTFBUZPQFFU-UHFFFAOYSA-N -1 1 337.298 2.454 20 0 EEADMM Cc1ccc(-c2nc(S(=O)(=O)CC(F)(F)C(F)F)n[n-]2)cc1 ZINC000774003278 577377851 /nfs/dbraw/zinc/37/78/51/577377851.db2.gz AWRQTFBUZPQFFU-UHFFFAOYSA-N -1 1 337.298 2.454 20 0 EEADMM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774066247 577381213 /nfs/dbraw/zinc/38/12/13/577381213.db2.gz MCOMUOABLNGOAS-SECBINFHSA-N -1 1 346.437 2.471 20 0 EEADMM CSc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc1N ZINC000774909208 577422752 /nfs/dbraw/zinc/42/27/52/577422752.db2.gz KTMIQWMMYBNXEX-UHFFFAOYSA-N -1 1 336.335 2.216 20 0 EEADMM O=C([N-]CCCOC(=O)c1cncn1-c1ccccc1)C(F)(F)F ZINC000774909592 577422927 /nfs/dbraw/zinc/42/29/27/577422927.db2.gz 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577582942 /nfs/dbraw/zinc/58/29/42/577582942.db2.gz DSWRSMBDHXIRCI-LLVKDONJSA-N -1 1 345.848 2.475 20 0 EEADMM CCOc1cc(-c2noc([C@](C)(O)COC)n2)cc(Cl)c1[O-] ZINC000771107876 577609904 /nfs/dbraw/zinc/60/99/04/577609904.db2.gz HCJRNAZVEXNBDS-CQSZACIVSA-N -1 1 328.752 2.348 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)[nH]nc1C1CC1 ZINC000760322096 577660622 /nfs/dbraw/zinc/66/06/22/577660622.db2.gz VNNISHDAFVDSQC-UHFFFAOYSA-N -1 1 344.396 2.238 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)cc1OC ZINC000760322879 577660626 /nfs/dbraw/zinc/66/06/26/577660626.db2.gz OAYHBZUBGSPPAD-UHFFFAOYSA-N -1 1 337.401 2.414 20 0 EEADMM C[C@@H]1CC[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)O1 ZINC000762166433 577696347 /nfs/dbraw/zinc/69/63/47/577696347.db2.gz MXKLKKLNEIKGBK-GHMZBOCLSA-N -1 1 345.417 2.081 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000762831983 577708914 /nfs/dbraw/zinc/70/89/14/577708914.db2.gz TVLPOJDDOJMHGC-UHFFFAOYSA-N -1 1 325.670 2.271 20 0 EEADMM Cc1sc(Cl)nc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000762844859 577709311 /nfs/dbraw/zinc/70/93/11/577709311.db2.gz ODUNEACABIYQGL-SNVBAGLBSA-N -1 1 334.792 2.137 20 0 EEADMM Cc1cn2ccnc(C(=O)Nc3nc(Br)ccc3[O-])c2n1 ZINC000762900482 577710931 /nfs/dbraw/zinc/71/09/31/577710931.db2.gz YEZMSZLHQGGXCH-UHFFFAOYSA-N -1 1 348.160 2.153 20 0 EEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1 ZINC000763378612 577720270 /nfs/dbraw/zinc/72/02/70/577720270.db2.gz UJFJXAMYSZYZMZ-VIFPVBQESA-N -1 1 337.319 2.078 20 0 EEADMM O=C(COC/C=C\c1ccccc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000764316591 577734215 /nfs/dbraw/zinc/73/42/15/577734215.db2.gz HFMOCCMDYXCRLP-VOCYLRNQSA-N -1 1 349.394 2.135 20 0 EEADMM CCCc1ncc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)s1 ZINC000745265128 577911214 /nfs/dbraw/zinc/91/12/14/577911214.db2.gz HSOGJWKWTMWZJB-UHFFFAOYSA-N -1 1 332.381 2.209 20 0 EEADMM Cc1noc(C2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)n1 ZINC000747213273 577940863 /nfs/dbraw/zinc/94/08/63/577940863.db2.gz 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ZINC000737091757 578237652 /nfs/dbraw/zinc/23/76/52/578237652.db2.gz YHYQOZRNDKHGNL-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737091757 578237653 /nfs/dbraw/zinc/23/76/53/578237653.db2.gz YHYQOZRNDKHGNL-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737099338 578238016 /nfs/dbraw/zinc/23/80/16/578238016.db2.gz KUOHMIAZYIHXRR-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737099338 578238017 /nfs/dbraw/zinc/23/80/17/578238017.db2.gz KUOHMIAZYIHXRR-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM CSc1ccc(O[C@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000737191001 578243005 /nfs/dbraw/zinc/24/30/05/578243005.db2.gz PFVDJWWERQAGHD-LLVKDONJSA-N -1 1 347.444 2.095 20 0 EEADMM CCc1[nH]c(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)c(C)c1C(=O)[O-] ZINC000737241126 578245617 /nfs/dbraw/zinc/24/56/17/578245617.db2.gz JZMOYRRUCNDNKH-DGCLKSJQSA-N -1 1 333.432 2.283 20 0 EEADMM Cc1ccc(-c2cc(Cn3cccc(-c4nn[n-]n4)c3=O)on2)cc1 ZINC000737289071 578248381 /nfs/dbraw/zinc/24/83/81/578248381.db2.gz SGQMLROEWYALGO-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM CCn1ccnc1CN1CCCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000737303158 578249299 /nfs/dbraw/zinc/24/92/99/578249299.db2.gz PPXOWWSTXPGJDL-CQSZACIVSA-N -1 1 346.431 2.463 20 0 EEADMM CN(C(=O)CN1CC[C@@H](c2ccco2)C1)c1ccccc1C(=O)[O-] ZINC000737324284 578250420 /nfs/dbraw/zinc/25/04/20/578250420.db2.gz NJUOOXRLYRPIHQ-CYBMUJFWSA-N -1 1 328.368 2.430 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000737358294 578252469 /nfs/dbraw/zinc/25/24/69/578252469.db2.gz LDINYOPQTLPFSS-AWEZNQCLSA-N -1 1 349.362 2.219 20 0 EEADMM Cn1cc([C@H]2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)cn1 ZINC000737602014 578266399 /nfs/dbraw/zinc/26/63/99/578266399.db2.gz DCDUWJQMRIYGPE-LBPRGKRZSA-N -1 1 346.398 2.142 20 0 EEADMM Cn1cc([C@H]2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)cn1 ZINC000737602014 578266400 /nfs/dbraw/zinc/26/64/00/578266400.db2.gz DCDUWJQMRIYGPE-LBPRGKRZSA-N -1 1 346.398 2.142 20 0 EEADMM CO[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821679286 599046977 /nfs/dbraw/zinc/04/69/77/599046977.db2.gz ZJZAQWJFRUUZFX-LLVKDONJSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821679286 599046979 /nfs/dbraw/zinc/04/69/79/599046979.db2.gz ZJZAQWJFRUUZFX-LLVKDONJSA-N -1 1 331.767 2.110 20 0 EEADMM O[C@@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000823674920 599087146 /nfs/dbraw/zinc/08/71/46/599087146.db2.gz UCXBRLOBQKKKLQ-HNNXBMFYSA-N -1 1 347.382 2.346 20 0 EEADMM O[C@@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000823674920 599087149 /nfs/dbraw/zinc/08/71/49/599087149.db2.gz UCXBRLOBQKKKLQ-HNNXBMFYSA-N -1 1 347.382 2.346 20 0 EEADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1NC(C)=O ZINC000821836012 599440248 /nfs/dbraw/zinc/44/02/48/599440248.db2.gz XSDJAHQYCSPFHQ-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1NC(C)=O ZINC000821836012 599440251 /nfs/dbraw/zinc/44/02/51/599440251.db2.gz XSDJAHQYCSPFHQ-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM CCC[C@H](C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000821014989 599445025 /nfs/dbraw/zinc/44/50/25/599445025.db2.gz MTSJGLJOIACJIW-VIFPVBQESA-N -1 1 326.364 2.141 20 0 EEADMM CCC[C@H](C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000821014989 599445028 /nfs/dbraw/zinc/44/50/28/599445028.db2.gz MTSJGLJOIACJIW-VIFPVBQESA-N -1 1 326.364 2.141 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])[nH]1 ZINC000322419780 600254560 /nfs/dbraw/zinc/25/45/60/600254560.db2.gz VFDRYVWJFSCCDK-UHFFFAOYSA-N -1 1 339.329 2.039 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000833183036 600897261 /nfs/dbraw/zinc/89/72/61/600897261.db2.gz NIPBJXBFEPVMJU-HZPDHXFCSA-N -1 1 345.443 2.053 20 0 EEADMM C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000828215036 600924121 /nfs/dbraw/zinc/92/41/21/600924121.db2.gz YIEDNTBVMOVCTA-HFBDOXOYSA-N -1 1 326.343 2.080 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[nH]1 ZINC000833021527 600958149 /nfs/dbraw/zinc/95/81/49/600958149.db2.gz OLYYKRRUJOLLQZ-UHFFFAOYSA-N -1 1 349.416 2.344 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833020267 600966310 /nfs/dbraw/zinc/96/63/10/600966310.db2.gz YUHQOJYOYZBWIK-UHFFFAOYSA-N -1 1 346.315 2.432 20 0 EEADMM CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000387722899 600980781 /nfs/dbraw/zinc/98/07/81/600980781.db2.gz NFYWWLDNEXWOIJ-UHFFFAOYSA-N -1 1 343.792 2.233 20 0 EEADMM CC(C)(NC[C@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000826630911 601012779 /nfs/dbraw/zinc/01/27/79/601012779.db2.gz ZYMJSRFULSCEDK-LBPRGKRZSA-N -1 1 336.413 2.106 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000827355801 601089094 /nfs/dbraw/zinc/08/90/94/601089094.db2.gz MMGOYNRVZMHTRP-MZBZXASESA-N -1 1 342.848 2.422 20 0 EEADMM COc1ccc(C)cc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832265042 601123449 /nfs/dbraw/zinc/12/34/49/601123449.db2.gz JSBFDMHPPAARHY-CYBMUJFWSA-N -1 1 335.404 2.016 20 0 EEADMM CO[C@H](C)c1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000831493297 601131849 /nfs/dbraw/zinc/13/18/49/601131849.db2.gz KPPHFPVANINCPZ-ZIAGYGMSSA-N -1 1 349.431 2.407 20 0 EEADMM Cc1ccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1C(=O)[O-] ZINC000832944278 601145982 /nfs/dbraw/zinc/14/59/82/601145982.db2.gz BBVFTJXSXIDASS-HNNXBMFYSA-N -1 1 349.431 2.172 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)c1ccnc(C(=O)[O-])c1)c1ccco1 ZINC000829666984 601245358 /nfs/dbraw/zinc/24/53/58/601245358.db2.gz YIFXOIKAKSJZLN-AWEZNQCLSA-N -1 1 331.372 2.186 20 0 EEADMM O=C([O-])CC1(NC(=O)CSc2n[nH]c(=S)s2)CCCCC1 ZINC000833203773 601292020 /nfs/dbraw/zinc/29/20/20/601292020.db2.gz SWMNNJJXMHPNOA-UHFFFAOYSA-N -1 1 347.487 2.213 20 0 EEADMM COC[C@@]1(C)CC(=O)N(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])C1 ZINC000831661109 601300733 /nfs/dbraw/zinc/30/07/33/601300733.db2.gz ZPBUOUQJMCTNAL-KXBFYZLASA-N -1 1 348.443 2.052 20 0 EEADMM Cn1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cc1C(=O)[O-] ZINC000833046512 601311632 /nfs/dbraw/zinc/31/16/32/601311632.db2.gz XKGBUUAUXIVREO-OAHLLOKOSA-N -1 1 327.384 2.326 20 0 EEADMM COC(=O)C[C@@H]1CCCCN1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000831145143 601398924 /nfs/dbraw/zinc/39/89/24/601398924.db2.gz VXLWVLIYPYHYOE-LBPRGKRZSA-N -1 1 331.372 2.110 20 0 EEADMM O=C([O-])[C@]1(F)CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000833175176 601438387 /nfs/dbraw/zinc/43/83/87/601438387.db2.gz NCBHDWUHKPMADS-AWEZNQCLSA-N -1 1 325.365 2.229 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832367639 601527541 /nfs/dbraw/zinc/52/75/41/601527541.db2.gz KIPCUXSKEQVYDP-SCVCMEIPSA-N -1 1 340.807 2.328 20 0 EEADMM COc1coc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1=O ZINC000832642823 601603011 /nfs/dbraw/zinc/60/30/11/601603011.db2.gz HQFLYMHHARGSEM-CYBMUJFWSA-N -1 1 331.368 2.371 20 0 EEADMM COC(=O)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826124247 607521490 /nfs/dbraw/zinc/52/14/90/607521490.db2.gz QIQPBGOSRWQEAD-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM COC(=O)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826124247 607521491 /nfs/dbraw/zinc/52/14/91/607521491.db2.gz QIQPBGOSRWQEAD-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000833091580 601715151 /nfs/dbraw/zinc/71/51/51/601715151.db2.gz AGIDKHCFMKFQGZ-YJBOKZPZSA-N -1 1 334.391 2.066 20 0 EEADMM C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824764762 607530214 /nfs/dbraw/zinc/53/02/14/607530214.db2.gz YFPWZJGEXVQAOB-JTQLQIEISA-N -1 1 347.375 2.077 20 0 EEADMM C[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824764762 607530216 /nfs/dbraw/zinc/53/02/16/607530216.db2.gz YFPWZJGEXVQAOB-JTQLQIEISA-N -1 1 347.375 2.077 20 0 EEADMM COC(=O)C[C@@H]1CSCCN1Cc1cc(C(=O)[O-])sc1C ZINC000831147584 601894973 /nfs/dbraw/zinc/89/49/73/601894973.db2.gz FKNLSTIEZCLMLC-LLVKDONJSA-N -1 1 329.443 2.235 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N1CCSC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000827622946 601924584 /nfs/dbraw/zinc/92/45/84/601924584.db2.gz TVVMLNSSKBIADP-KCQAQPDRSA-N -1 1 336.457 2.144 20 0 EEADMM CCN(Cc1ccccn1)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000829727815 601963860 /nfs/dbraw/zinc/96/38/60/601963860.db2.gz AGFANMDXZXHSSI-MRXNPFEDSA-N -1 1 330.384 2.042 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@H]2CCCc3[nH]ncc32)C(=O)[O-])c1 ZINC000832970031 602030382 /nfs/dbraw/zinc/03/03/82/602030382.db2.gz SDSLYPYGVBDSML-CABCVRRESA-N -1 1 341.411 2.198 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)NCCCCC(=O)[O-])n2)cc1 ZINC000832908114 602235009 /nfs/dbraw/zinc/23/50/09/602235009.db2.gz RTBRDTKIXUPCNV-UHFFFAOYSA-N -1 1 348.428 2.243 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1F ZINC000826467508 607619202 /nfs/dbraw/zinc/61/92/02/607619202.db2.gz ZNPWJRCUZPFOHW-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1F ZINC000826467508 607619204 /nfs/dbraw/zinc/61/92/04/607619204.db2.gz ZNPWJRCUZPFOHW-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM CN(C(=O)CNC1(C(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000818363826 604476425 /nfs/dbraw/zinc/47/64/25/604476425.db2.gz XODJHWDTQGOUQE-UHFFFAOYSA-N -1 1 333.413 2.246 20 0 EEADMM COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2cccnc12 ZINC000832413156 604621618 /nfs/dbraw/zinc/62/16/18/604621618.db2.gz GLGJNTXCZMKBSP-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM Cc1nc([C@H]2CCCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)n[nH]1 ZINC000830738710 604646818 /nfs/dbraw/zinc/64/68/18/604646818.db2.gz SRVWLFKYSYZCHH-LBPRGKRZSA-N -1 1 329.360 2.223 20 0 EEADMM C[C@H](CN(CC(=O)Nc1ccnn1C1CCCC1)C1CC1)C(=O)[O-] ZINC000827449665 604742580 /nfs/dbraw/zinc/74/25/80/604742580.db2.gz NLEXWRDSPFJEPA-GFCCVEGCSA-N -1 1 334.420 2.122 20 0 EEADMM CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(C(=O)[O-])cc1F)CC2 ZINC000833661173 604759502 /nfs/dbraw/zinc/75/95/02/604759502.db2.gz SVVLWDMWODRTJW-JKSUJKDBSA-N -1 1 337.391 2.276 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n[nH]1 ZINC000833675140 605072586 /nfs/dbraw/zinc/07/25/86/605072586.db2.gz YKWSBWDPIKUSJM-NXEZZACHSA-N -1 1 348.428 2.423 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000833767423 605077444 /nfs/dbraw/zinc/07/74/44/605077444.db2.gz FCDVQHFZYRDPQX-SQNIBIBYSA-N -1 1 349.390 2.479 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\Sc1ccccc1 ZINC000833618349 605105521 /nfs/dbraw/zinc/10/55/21/605105521.db2.gz AUQYKEZYCHUDLC-UNJUUPHPSA-N -1 1 334.441 2.300 20 0 EEADMM CCc1ccc([C@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833671204 605115120 /nfs/dbraw/zinc/11/51/20/605115120.db2.gz SYGYREGZQSBHOF-CABCVRRESA-N -1 1 332.444 2.360 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)Cc1ccccc1 ZINC000833618727 605157353 /nfs/dbraw/zinc/15/73/53/605157353.db2.gz FDWVKJVOQYDASO-OAHLLOKOSA-N -1 1 332.444 2.263 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1C(F)(F)F ZINC000833627252 605159330 /nfs/dbraw/zinc/15/93/30/605159330.db2.gz VMPUTDLPVJVIIN-LLVKDONJSA-N -1 1 344.333 2.326 20 0 EEADMM COc1ccc(O)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000833733940 605240669 /nfs/dbraw/zinc/24/06/69/605240669.db2.gz WEAHVNWBTWKVOC-UHFFFAOYSA-N -1 1 338.341 2.292 20 0 EEADMM CN(c1cccnn1)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833698130 605833371 /nfs/dbraw/zinc/83/33/71/605833371.db2.gz PKNMYJUFDOILHH-UHFFFAOYSA-N -1 1 344.390 2.415 20 0 EEADMM O=C(Cc1c[nH]c2ccccc12)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823074340 606196000 /nfs/dbraw/zinc/19/60/00/606196000.db2.gz PQSKOVBBYQSHGA-UHFFFAOYSA-N -1 1 334.339 2.235 20 0 EEADMM COc1cccc([C@@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821859925 606296610 /nfs/dbraw/zinc/29/66/10/606296610.db2.gz ULVNGOLUAPMAQU-SNVBAGLBSA-N -1 1 339.355 2.323 20 0 EEADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821457139 606364793 /nfs/dbraw/zinc/36/47/93/606364793.db2.gz URTBKIOFUPGARO-VXGBXAGGSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821457139 606364796 /nfs/dbraw/zinc/36/47/96/606364796.db2.gz URTBKIOFUPGARO-VXGBXAGGSA-N -1 1 332.433 2.056 20 0 EEADMM O=C(Nc1ccccc1-n1cccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823368478 606509179 /nfs/dbraw/zinc/50/91/79/606509179.db2.gz YBNLIIHFJAWBRH-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ccccc1-n1cccn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823368478 606509180 /nfs/dbraw/zinc/50/91/80/606509180.db2.gz YBNLIIHFJAWBRH-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM CC(=O)N(C)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819789803 606566254 /nfs/dbraw/zinc/56/62/54/606566254.db2.gz YIQQXUHFKFANLX-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM CC(=O)N(C)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819789803 606566255 /nfs/dbraw/zinc/56/62/55/606566255.db2.gz YIQQXUHFKFANLX-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM Cc1coc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000822403895 606989045 /nfs/dbraw/zinc/98/90/45/606989045.db2.gz ZANLHSQNTRLNTK-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1coc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000822403895 606989046 /nfs/dbraw/zinc/98/90/46/606989046.db2.gz ZANLHSQNTRLNTK-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000821798946 607033655 /nfs/dbraw/zinc/03/36/55/607033655.db2.gz VAXHENIAXKBDHL-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000821798946 607033657 /nfs/dbraw/zinc/03/36/57/607033657.db2.gz VAXHENIAXKBDHL-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826268844 607776279 /nfs/dbraw/zinc/77/62/79/607776279.db2.gz PQXKQBATCGJOEC-UHFFFAOYSA-N -1 1 337.387 2.197 20 0 EEADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826268844 607776280 /nfs/dbraw/zinc/77/62/80/607776280.db2.gz PQXKQBATCGJOEC-UHFFFAOYSA-N -1 1 337.387 2.197 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc(F)c(F)c1 ZINC000826418744 607864043 /nfs/dbraw/zinc/86/40/43/607864043.db2.gz UUKPTFCMKYCMJQ-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc(F)c(F)c1 ZINC000826418744 607864044 /nfs/dbraw/zinc/86/40/44/607864044.db2.gz UUKPTFCMKYCMJQ-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM C[C@H]1COCCN1c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825006769 607900016 /nfs/dbraw/zinc/90/00/16/607900016.db2.gz PMHXDZBKMQIPER-LBPRGKRZSA-N -1 1 337.387 2.230 20 0 EEADMM C[C@H]1COCCN1c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825006769 607900017 /nfs/dbraw/zinc/90/00/17/607900017.db2.gz PMHXDZBKMQIPER-LBPRGKRZSA-N -1 1 337.387 2.230 20 0 EEADMM O=C1CCCN1C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000826480549 607900067 /nfs/dbraw/zinc/90/00/67/607900067.db2.gz GXVRWOSXUAZACK-HNNXBMFYSA-N -1 1 349.398 2.037 20 0 EEADMM O=C1CCCN1C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826480549 607900068 /nfs/dbraw/zinc/90/00/68/607900068.db2.gz GXVRWOSXUAZACK-HNNXBMFYSA-N -1 1 349.398 2.037 20 0 EEADMM CC[C@H](C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825050619 608022591 /nfs/dbraw/zinc/02/25/91/608022591.db2.gz KDWYLWCRQVICCK-VIFPVBQESA-N -1 1 345.790 2.450 20 0 EEADMM CS[C@H](C)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225365 608342770 /nfs/dbraw/zinc/34/27/70/608342770.db2.gz AGICMPJSDQNAMN-SECBINFHSA-N -1 1 337.453 2.288 20 0 EEADMM CS[C@H](C)CCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225365 608342772 /nfs/dbraw/zinc/34/27/72/608342772.db2.gz AGICMPJSDQNAMN-SECBINFHSA-N -1 1 337.453 2.288 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000826374180 608419131 /nfs/dbraw/zinc/41/91/31/608419131.db2.gz ONRBWBZFVXBPFN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000826374180 608419132 /nfs/dbraw/zinc/41/91/32/608419132.db2.gz ONRBWBZFVXBPFN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Cc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826292188 608420346 /nfs/dbraw/zinc/42/03/46/608420346.db2.gz LHQNGEMEPZJIIC-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826292188 608420347 /nfs/dbraw/zinc/42/03/47/608420347.db2.gz LHQNGEMEPZJIIC-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826353635 608430262 /nfs/dbraw/zinc/43/02/62/608430262.db2.gz XPDRKGVYJGKHKZ-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826353635 608430264 /nfs/dbraw/zinc/43/02/64/608430264.db2.gz XPDRKGVYJGKHKZ-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Cc1cccc(NC(=O)CN(C)Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000826299309 608501345 /nfs/dbraw/zinc/50/13/45/608501345.db2.gz ZJOGUKFBNYBCQU-UHFFFAOYSA-N -1 1 340.387 2.147 20 0 EEADMM Cc1cccc(NC(=O)CN(C)Cc2ccc(-c3nn[n-]n3)o2)c1C ZINC000826299309 608501346 /nfs/dbraw/zinc/50/13/46/608501346.db2.gz ZJOGUKFBNYBCQU-UHFFFAOYSA-N -1 1 340.387 2.147 20 0 EEADMM CC(=O)Nc1cccc2c1CCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC000824005548 609173764 /nfs/dbraw/zinc/17/37/64/609173764.db2.gz XELXQCVCFHLDTL-UHFFFAOYSA-N -1 1 338.371 2.371 20 0 EEADMM CC(=O)Nc1cccc2c1CCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC000824005548 609173765 /nfs/dbraw/zinc/17/37/65/609173765.db2.gz XELXQCVCFHLDTL-UHFFFAOYSA-N -1 1 338.371 2.371 20 0 EEADMM CS/C=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826227553 609290675 /nfs/dbraw/zinc/29/06/75/609290675.db2.gz STKVXOKAROKCNM-VURMDHGXSA-N -1 1 345.363 2.007 20 0 EEADMM O=C(C=C1CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826398838 609291347 /nfs/dbraw/zinc/29/13/47/609291347.db2.gz HBQGNKBXTRGPQC-UHFFFAOYSA-N -1 1 339.334 2.240 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825059942 609642350 /nfs/dbraw/zinc/64/23/50/609642350.db2.gz MIFJSQWECUFTJX-RKDXNWHRSA-N -1 1 349.391 2.240 20 0 EEADMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866849027 674649556 /nfs/dbraw/zinc/64/95/56/674649556.db2.gz PVJUXIQONDWIRG-VXNVDRBHSA-N -1 1 327.233 2.074 20 0 EEADMM 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CC1=C(C(=O)[O-])C[C@@H](CSc2nc(-c3ccccc3O)n[nH]2)O1 ZINC001609830073 1352096100 /nfs/dbraw/zinc/09/61/00/1352096100.db2.gz WASLWGCPEZJHJC-VIFPVBQESA-N -1 1 333.369 2.417 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609942186 1352125542 /nfs/dbraw/zinc/12/55/42/1352125542.db2.gz UUUKATFUPANASZ-KBPBESRZSA-N -1 1 349.431 2.244 20 0 EEADMM COCCOc1ccc(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c(C)c1 ZINC001345642538 1337455280 /nfs/dbraw/zinc/45/52/80/1337455280.db2.gz LDHALJSKWPVFDS-UHFFFAOYSA-N -1 1 349.412 2.365 20 0 EEADMM CCN(C)C(=O)[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])C(C)C ZINC001609990846 1352136318 /nfs/dbraw/zinc/13/63/18/1352136318.db2.gz WELVALSLGDUUCG-DYVFJYSZSA-N -1 1 336.432 2.304 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001348203293 1337545098 /nfs/dbraw/zinc/54/50/98/1337545098.db2.gz QFZXFIAJHVESTL-NEPJUHHUSA-N -1 1 337.445 2.058 20 0 EEADMM CCOC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001610019248 1352142117 /nfs/dbraw/zinc/14/21/17/1352142117.db2.gz GHYSSJJKCUJOPN-TVQRCGJNSA-N -1 1 344.770 2.425 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001610017240 1352142237 /nfs/dbraw/zinc/14/22/37/1352142237.db2.gz HRMGMLXDQYCARX-QWHCGFSZSA-N -1 1 339.363 2.066 20 0 EEADMM CCOc1ccc([C@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001610041019 1352148038 /nfs/dbraw/zinc/14/80/38/1352148038.db2.gz OUENLCXROOVLAH-LBPRGKRZSA-N -1 1 343.383 2.468 20 0 EEADMM O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001350233635 1337685533 /nfs/dbraw/zinc/68/55/33/1337685533.db2.gz GGOBFYQLJYBVNI-JTQLQIEISA-N -1 1 328.763 2.031 20 0 EEADMM Cc1ccc(-c2nc(CNCCn3cc(C(=O)[O-])nn3)cs2)cc1 ZINC001350668655 1337734978 /nfs/dbraw/zinc/73/49/78/1337734978.db2.gz TZFILGNNNOUSFS-UHFFFAOYSA-N -1 1 343.412 2.198 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cccs1 ZINC001610097273 1352161210 /nfs/dbraw/zinc/16/12/10/1352161210.db2.gz GFJCQPBLOQOJNA-LRDDRELGSA-N -1 1 339.461 2.247 20 0 EEADMM COC(=O)c1ccc(CN[C@@](C)(CC(=O)[O-])c2ccccn2)cc1F ZINC001610209162 1352186064 /nfs/dbraw/zinc/18/60/64/1352186064.db2.gz CRYUNLSWOIAMPA-SFHVURJKSA-N -1 1 346.358 2.487 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccccc1C ZINC001610257706 1352195585 /nfs/dbraw/zinc/19/55/85/1352195585.db2.gz ABULPLUSEIFPAN-GFCCVEGCSA-N -1 1 337.401 2.247 20 0 EEADMM COc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1F ZINC001610306636 1352202964 /nfs/dbraw/zinc/20/29/64/1352202964.db2.gz BRJXXSJIBMEYFL-UHFFFAOYSA-N -1 1 331.346 2.395 20 0 EEADMM Cc1nn(C)cc1CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001610569344 1352246307 /nfs/dbraw/zinc/24/63/07/1352246307.db2.gz AKXPOVMYIHZUCD-ZDUSSCGKSA-N -1 1 328.416 2.137 20 0 EEADMM Cn1cc(Br)c(CN[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001610599220 1352252006 /nfs/dbraw/zinc/25/20/06/1352252006.db2.gz JZKYSVLCXLIURC-GFCCVEGCSA-N -1 1 330.226 2.306 20 0 EEADMM Cn1cc([C@@H](NCc2ccc(C(=O)[O-])s2)C2(CO)CCC2)cn1 ZINC001610600856 1352252039 /nfs/dbraw/zinc/25/20/39/1352252039.db2.gz AMUXTRDRUWSOEN-CQSZACIVSA-N -1 1 335.429 2.173 20 0 EEADMM O=C([O-])C1=NO[C@@H](CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)C1 ZINC001610731460 1352266042 /nfs/dbraw/zinc/26/60/42/1352266042.db2.gz GDRKKPWLKXBUGW-SECBINFHSA-N -1 1 340.311 2.072 20 0 EEADMM O=C([O-])CCSc1cccc(NC(=O)NCCN2CC=CC2)c1 ZINC001610776475 1352272503 /nfs/dbraw/zinc/27/25/03/1352272503.db2.gz CGKGEYTXPWKQHY-UHFFFAOYSA-N -1 1 335.429 2.247 20 0 EEADMM O=C([O-])c1cccc(OCC[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001610849060 1352285164 /nfs/dbraw/zinc/28/51/64/1352285164.db2.gz FDCFZCHTYLCTCK-RCBQFDQVSA-N -1 1 333.384 2.481 20 0 EEADMM Cc1nc(C(=O)Nc2c[n-][nH]c2=O)nn1-c1ccccc1C(C)C ZINC001611380179 1352300096 /nfs/dbraw/zinc/30/00/96/1352300096.db2.gz PVGPSNWLONJMHT-UHFFFAOYSA-N -1 1 326.360 2.380 20 0 EEADMM CC(C)CCC(=O)N[C@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001429894918 1340049893 /nfs/dbraw/zinc/04/98/93/1340049893.db2.gz ONESQKVRBSOVGX-HNNXBMFYSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H](C)c1ccccc1 ZINC001431003407 1340405106 /nfs/dbraw/zinc/40/51/06/1340405106.db2.gz KNEABBKNSFBBLH-ZIAGYGMSSA-N -1 1 341.411 2.073 20 0 EEADMM Cc1occc1C(=O)NC[C@@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001432858735 1341417474 /nfs/dbraw/zinc/41/74/74/1341417474.db2.gz DELCUAVFHREDAG-GOSISDBHSA-N -1 1 343.383 2.017 20 0 EEADMM C[C@](O)(CNC(=O)c1ccc(F)c([O-])c1)c1ccc(F)cc1F ZINC001433734913 1341671581 /nfs/dbraw/zinc/67/15/81/1341671581.db2.gz MERDPNLKBQQMHV-INIZCTEOSA-N -1 1 325.286 2.447 20 0 EEADMM CCCCC(=O)NCC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434277160 1341816099 /nfs/dbraw/zinc/81/60/99/1341816099.db2.gz YGIBVKYFNIBMGQ-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc3[nH]ccc32)c1 ZINC001561862451 1342531990 /nfs/dbraw/zinc/53/19/90/1342531990.db2.gz GQAOWRVSVKNTQY-UHFFFAOYSA-N -1 1 334.353 2.026 20 0 EEADMM CCc1nnc([C@@H](C)NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)[nH]1 ZINC001563130906 1342541424 /nfs/dbraw/zinc/54/14/24/1342541424.db2.gz TUYKTDUTKBDHPQ-SNVBAGLBSA-N -1 1 341.375 2.141 20 0 EEADMM O=C(CCn1cccc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001567371561 1342748176 /nfs/dbraw/zinc/74/81/76/1342748176.db2.gz FIXXEBRQHXMDPT-CQSZACIVSA-N -1 1 348.769 2.090 20 0 EEADMM CC(C)c1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n[nH]1 ZINC001574409075 1343675313 /nfs/dbraw/zinc/67/53/13/1343675313.db2.gz FXBYZSJMWSEJQO-UHFFFAOYSA-N -1 1 333.302 2.244 20 0 EEADMM CC(C)c1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n[nH]1 ZINC001574409075 1343675314 /nfs/dbraw/zinc/67/53/14/1343675314.db2.gz FXBYZSJMWSEJQO-UHFFFAOYSA-N -1 1 333.302 2.244 20 0 EEADMM CCCC(=O)NC[C@H](CC)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577213857 1344107741 /nfs/dbraw/zinc/10/77/41/1344107741.db2.gz QCLRCTYJXHELEW-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)NC[C@H](CC)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577213857 1344107744 /nfs/dbraw/zinc/10/77/44/1344107744.db2.gz QCLRCTYJXHELEW-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)NC[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577416465 1344144683 /nfs/dbraw/zinc/14/46/83/1344144683.db2.gz HLLYRNUOOUTRGZ-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)NC[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577416465 1344144688 /nfs/dbraw/zinc/14/46/88/1344144688.db2.gz HLLYRNUOOUTRGZ-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCSc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001578417703 1344276925 /nfs/dbraw/zinc/27/69/25/1344276925.db2.gz VBXNTLZEXYADER-UHFFFAOYSA-N -1 1 327.373 2.021 20 0 EEADMM CCSc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001578417703 1344276934 /nfs/dbraw/zinc/27/69/34/1344276934.db2.gz VBXNTLZEXYADER-UHFFFAOYSA-N -1 1 327.373 2.021 20 0 EEADMM CCc1c[nH]c(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)n1 ZINC001578494594 1344284972 /nfs/dbraw/zinc/28/49/72/1344284972.db2.gz FPLMBMXMSMTVDP-UHFFFAOYSA-N -1 1 338.297 2.178 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2coc(-c3nnn[n-]3)c2)cc1F ZINC001579991623 1344445486 /nfs/dbraw/zinc/44/54/86/1344445486.db2.gz GYWFYVSLTADPSG-MRVPVSSYSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ccc([C@@H](C)NC(=O)c2coc(-c3nn[n-]n3)c2)cc1F ZINC001579991623 1344445488 /nfs/dbraw/zinc/44/54/88/1344445488.db2.gz GYWFYVSLTADPSG-MRVPVSSYSA-N -1 1 331.307 2.098 20 0 EEADMM COc1ncc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133726 1344477876 /nfs/dbraw/zinc/47/78/76/1344477876.db2.gz WTELUDWJBPODCK-URLYPYJESA-N -1 1 330.392 2.281 20 0 EEADMM COc1ncc(NC(=O)NCC(C)(C)C(C)C)cc1-c1nn[n-]n1 ZINC001580135764 1344478883 /nfs/dbraw/zinc/47/88/83/1344478883.db2.gz ABYRCXGOEQNDHO-UHFFFAOYSA-N -1 1 333.396 2.074 20 0 EEADMM COc1ncc(NC(=O)Cc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC001580134724 1344479139 /nfs/dbraw/zinc/47/91/39/1344479139.db2.gz KYKQGPSUBBYPJS-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM Cc1cnc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001581318773 1344617148 /nfs/dbraw/zinc/61/71/48/1344617148.db2.gz GVXLDHGFKKDICR-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1cnc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001581318773 1344617151 /nfs/dbraw/zinc/61/71/51/1344617151.db2.gz GVXLDHGFKKDICR-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1coc2ccc(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)cc12 ZINC001581368728 1344620493 /nfs/dbraw/zinc/62/04/93/1344620493.db2.gz WNMXBGJFZVOPPT-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM Cc1coc2ccc(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)cc12 ZINC001581368728 1344620494 /nfs/dbraw/zinc/62/04/94/1344620494.db2.gz WNMXBGJFZVOPPT-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM Cc1csc(CCCC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001581385584 1344622533 /nfs/dbraw/zinc/62/25/33/1344622533.db2.gz ZPBISNOZMJKSMC-UHFFFAOYSA-N -1 1 348.457 2.332 20 0 EEADMM Cc1occc1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001581733933 1344658846 /nfs/dbraw/zinc/65/88/46/1344658846.db2.gz VXPQJKGVZSFMSQ-UHFFFAOYSA-N -1 1 339.768 2.200 20 0 EEADMM O=Cc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)c(Br)c1 ZINC001582790315 1344791414 /nfs/dbraw/zinc/79/14/14/1344791414.db2.gz HYDVWKDNJCMZIP-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM OC[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C(F)(F)F ZINC001582813723 1344795830 /nfs/dbraw/zinc/79/58/30/1344795830.db2.gz AYVCMPFOLUDUGA-KWQFWETISA-N -1 1 347.366 2.063 20 0 EEADMM CC(=Cc1ccco1)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588772132 1348933816 /nfs/dbraw/zinc/93/38/16/1348933816.db2.gz LEDMZJXNQICOSQ-KHPPLWFESA-N -1 1 336.355 2.237 20 0 EEADMM CC(=Cc1ccco1)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001588772132 1348933819 /nfs/dbraw/zinc/93/38/19/1348933819.db2.gz LEDMZJXNQICOSQ-KHPPLWFESA-N -1 1 336.355 2.237 20 0 EEADMM CC(C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)=C1CCC1 ZINC001588960340 1348950527 /nfs/dbraw/zinc/95/05/27/1348950527.db2.gz ULFLVGWTCWLNRI-UHFFFAOYSA-N -1 1 344.444 2.077 20 0 EEADMM C[C@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001589022430 1348953471 /nfs/dbraw/zinc/95/34/71/1348953471.db2.gz YJDTUCNHOWZORS-JTQLQIEISA-N -1 1 333.355 2.485 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1nccs1 ZINC001589319915 1348983066 /nfs/dbraw/zinc/98/30/66/1348983066.db2.gz YNQHOSHLFQRGRT-UHFFFAOYSA-N -1 1 349.807 2.037 20 0 EEADMM CC(C)C(=O)[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589394215 1348989069 /nfs/dbraw/zinc/98/90/69/1348989069.db2.gz XJUCFUGXKZUSBQ-AWEZNQCLSA-N -1 1 339.355 2.156 20 0 EEADMM CC(C)C(=O)[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589394215 1348989073 /nfs/dbraw/zinc/98/90/73/1348989073.db2.gz XJUCFUGXKZUSBQ-AWEZNQCLSA-N -1 1 339.355 2.156 20 0 EEADMM CC(C)CCn1nccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589613216 1349010992 /nfs/dbraw/zinc/01/09/92/1349010992.db2.gz ALBVFYMWUVULKB-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM CC(C)O[C@@H](COc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001589736862 1349024968 /nfs/dbraw/zinc/02/49/68/1349024968.db2.gz CWWPYAFQCXYEKQ-AWEZNQCLSA-N -1 1 326.360 2.202 20 0 EEADMM CC(C)c1cccc(N(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001589771162 1349034682 /nfs/dbraw/zinc/03/46/82/1349034682.db2.gz FYDSBWMUWWDJHR-UHFFFAOYSA-N -1 1 340.391 2.392 20 0 EEADMM CC(C)c1cccc(N(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001589771162 1349034683 /nfs/dbraw/zinc/03/46/83/1349034683.db2.gz FYDSBWMUWWDJHR-UHFFFAOYSA-N -1 1 340.391 2.392 20 0 EEADMM C[C@H](C1CC1)N(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589787036 1349042502 /nfs/dbraw/zinc/04/25/02/1349042502.db2.gz OSGSMGWDKGIKRJ-SSDOTTSWSA-N -1 1 340.309 2.151 20 0 EEADMM C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]Oc1ccccc1F ZINC001589897832 1349056588 /nfs/dbraw/zinc/05/65/88/1349056588.db2.gz OBXRPYSHMTZXEQ-LLVKDONJSA-N -1 1 341.346 2.295 20 0 EEADMM C[C@@](Cc1ccccc1)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589899198 1349056909 /nfs/dbraw/zinc/05/69/09/1349056909.db2.gz GHMSKLTYWKBDPP-IBGZPJMESA-N -1 1 348.410 2.403 20 0 EEADMM C[C@@](Cc1ccccc1)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589899198 1349056914 /nfs/dbraw/zinc/05/69/14/1349056914.db2.gz GHMSKLTYWKBDPP-IBGZPJMESA-N -1 1 348.410 2.403 20 0 EEADMM CC1(C)C[C@@H]1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590087901 1349146634 /nfs/dbraw/zinc/14/66/34/1349146634.db2.gz AFXQTRKKDFZRJU-RXMQYKEDSA-N -1 1 327.801 2.144 20 0 EEADMM CC1(C)CCC(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590090873 1349149522 /nfs/dbraw/zinc/14/95/22/1349149522.db2.gz SYLFZNJUJGONMN-UHFFFAOYSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@]1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001590132252 1349168512 /nfs/dbraw/zinc/16/85/12/1349168512.db2.gz KNRMJNUIARUHHN-LJQANCHMSA-N -1 1 348.410 2.286 20 0 EEADMM C[C@]1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001590132252 1349168517 /nfs/dbraw/zinc/16/85/17/1349168517.db2.gz KNRMJNUIARUHHN-LJQANCHMSA-N -1 1 348.410 2.286 20 0 EEADMM CC1=Nc2ccccc2C12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001590161088 1349181070 /nfs/dbraw/zinc/18/10/70/1349181070.db2.gz DBGIZLZZNNRROA-UHFFFAOYSA-N -1 1 346.398 2.301 20 0 EEADMM CC1=Nc2ccccc2C12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001590161088 1349181074 /nfs/dbraw/zinc/18/10/74/1349181074.db2.gz DBGIZLZZNNRROA-UHFFFAOYSA-N -1 1 346.398 2.301 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC001590166093 1349181507 /nfs/dbraw/zinc/18/15/07/1349181507.db2.gz TZIOVIAILZFPCW-KNXALSJPSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC001590166093 1349181514 /nfs/dbraw/zinc/18/15/14/1349181514.db2.gz TZIOVIAILZFPCW-KNXALSJPSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590191290 1349192023 /nfs/dbraw/zinc/19/20/23/1349192023.db2.gz HKGVHAATJOXJOL-QFYYESIMSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590191290 1349192027 /nfs/dbraw/zinc/19/20/27/1349192027.db2.gz HKGVHAATJOXJOL-QFYYESIMSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590225390 1349210159 /nfs/dbraw/zinc/21/01/59/1349210159.db2.gz DJYTWFGVFMEOPS-SCZZXKLOSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590225390 1349210161 /nfs/dbraw/zinc/21/01/61/1349210161.db2.gz DJYTWFGVFMEOPS-SCZZXKLOSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1c1cccc(F)c1 ZINC001590274700 1349242752 /nfs/dbraw/zinc/24/27/52/1349242752.db2.gz OLZASHRGBSBXKA-MEBBXXQBSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC001590274700 1349242760 /nfs/dbraw/zinc/24/27/60/1349242760.db2.gz OLZASHRGBSBXKA-MEBBXXQBSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccsc2)O1 ZINC001590298583 1349249616 /nfs/dbraw/zinc/24/96/16/1349249616.db2.gz LYKQKTBJLXHIPQ-NOZJJQNGSA-N -1 1 345.384 2.123 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccsc2)O1 ZINC001590298583 1349249621 /nfs/dbraw/zinc/24/96/21/1349249621.db2.gz LYKQKTBJLXHIPQ-NOZJJQNGSA-N -1 1 345.384 2.123 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590300474 1349252126 /nfs/dbraw/zinc/25/21/26/1349252126.db2.gz XNMUWMSIIRQVNK-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590300474 1349252134 /nfs/dbraw/zinc/25/21/34/1349252134.db2.gz XNMUWMSIIRQVNK-GFCCVEGCSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590334853 1349271092 /nfs/dbraw/zinc/27/10/92/1349271092.db2.gz BVLJEDAGBKHNRH-MRVPVSSYSA-N -1 1 345.309 2.497 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590334853 1349271094 /nfs/dbraw/zinc/27/10/94/1349271094.db2.gz BVLJEDAGBKHNRH-MRVPVSSYSA-N -1 1 345.309 2.497 20 0 EEADMM CCC(CC)(CNc1cnc(-c2nnn[n-]2)cn1)C(=O)OC(C)(C)C ZINC001590428719 1349320743 /nfs/dbraw/zinc/32/07/43/1349320743.db2.gz QCUXSSRXZQHVPQ-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CCC(CC)(CNc1cnc(-c2nn[n-]n2)cn1)C(=O)OC(C)(C)C ZINC001590428719 1349320747 /nfs/dbraw/zinc/32/07/47/1349320747.db2.gz QCUXSSRXZQHVPQ-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001590436163 1349324642 /nfs/dbraw/zinc/32/46/42/1349324642.db2.gz GWUWCEFEYDTOEU-AWEZNQCLSA-N -1 1 328.420 2.484 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001590436163 1349324648 /nfs/dbraw/zinc/32/46/48/1349324648.db2.gz GWUWCEFEYDTOEU-AWEZNQCLSA-N -1 1 328.420 2.484 20 0 EEADMM CC[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1ccccc1F ZINC001590446444 1349329437 /nfs/dbraw/zinc/32/94/37/1349329437.db2.gz RMGHDMHOPFILEN-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1ccccc1F ZINC001590446444 1349329446 /nfs/dbraw/zinc/32/94/46/1349329446.db2.gz RMGHDMHOPFILEN-JTQLQIEISA-N -1 1 329.339 2.065 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccc(OC)cc2)cc(-c2nnn[n-]2)n1 ZINC001590923735 1349414927 /nfs/dbraw/zinc/41/49/27/1349414927.db2.gz WPJSFSNIZBSYGG-QWHCGFSZSA-N -1 1 337.387 2.196 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccc(OC)cc2)cc(-c2nn[n-]n2)n1 ZINC001590923735 1349414931 /nfs/dbraw/zinc/41/49/31/1349414931.db2.gz WPJSFSNIZBSYGG-QWHCGFSZSA-N -1 1 337.387 2.196 20 0 EEADMM COCC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccco1 ZINC001591399551 1349482299 /nfs/dbraw/zinc/48/22/99/1349482299.db2.gz CTACHSPGTPEBIR-SNVBAGLBSA-N -1 1 333.373 2.029 20 0 EEADMM CO[C@H]1C[C@@H](CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001591472815 1349489323 /nfs/dbraw/zinc/48/93/23/1349489323.db2.gz GSOCCNNRYDLZHE-OTSSQURYSA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@H]1C[C@@H](CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001591472815 1349489330 /nfs/dbraw/zinc/48/93/30/1349489330.db2.gz GSOCCNNRYDLZHE-OTSSQURYSA-N -1 1 328.298 2.117 20 0 EEADMM COc1cc(C)sc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591523690 1349498234 /nfs/dbraw/zinc/49/82/34/1349498234.db2.gz ZWNJRMWPWRTCHI-UHFFFAOYSA-N -1 1 345.388 2.098 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)c(OC)c1 ZINC001591622134 1349517915 /nfs/dbraw/zinc/51/79/15/1349517915.db2.gz LJBNIVLFTAWTFX-VIFPVBQESA-N -1 1 341.375 2.155 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)c(OC)c1 ZINC001591622134 1349517921 /nfs/dbraw/zinc/51/79/21/1349517921.db2.gz LJBNIVLFTAWTFX-VIFPVBQESA-N -1 1 341.375 2.155 20 0 EEADMM Cc1cc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)ccc1F ZINC001591938611 1349564040 /nfs/dbraw/zinc/56/40/40/1349564040.db2.gz AUUPBSFILGUTHA-AWEZNQCLSA-N -1 1 325.351 2.089 20 0 EEADMM Cc1cc(N[C@@H](C)c2ccc([S@](C)=O)cc2)nc(-c2nnn[n-]2)c1 ZINC001592034815 1349585964 /nfs/dbraw/zinc/58/59/64/1349585964.db2.gz NXIGRBPQMGTNNU-BUBHHJDNSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1cc(N[C@@H](C)c2ccc([S@](C)=O)cc2)nc(-c2nn[n-]n2)c1 ZINC001592034815 1349585969 /nfs/dbraw/zinc/58/59/69/1349585969.db2.gz NXIGRBPQMGTNNU-BUBHHJDNSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-c2nnn[n-]2)o1)CC3 ZINC001592198261 1349605368 /nfs/dbraw/zinc/60/53/68/1349605368.db2.gz GWKKSHXGZUSCPN-UHFFFAOYSA-N -1 1 348.366 2.448 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-c2nn[n-]n2)o1)CC3 ZINC001592198261 1349605373 /nfs/dbraw/zinc/60/53/73/1349605373.db2.gz GWKKSHXGZUSCPN-UHFFFAOYSA-N -1 1 348.366 2.448 20 0 EEADMM Cc1[nH]nc(NCc2cc3cc(Cl)cnc3o2)c1-c1nnn[n-]1 ZINC001592331242 1349621831 /nfs/dbraw/zinc/62/18/31/1349621831.db2.gz WGEHPIIOUBNBBM-UHFFFAOYSA-N -1 1 330.739 2.305 20 0 EEADMM Cc1[nH]nc(NCc2cc3cc(Cl)cnc3o2)c1-c1nn[n-]n1 ZINC001592331242 1349621836 /nfs/dbraw/zinc/62/18/36/1349621836.db2.gz WGEHPIIOUBNBBM-UHFFFAOYSA-N -1 1 330.739 2.305 20 0 EEADMM Cc1[nH]nc(NCc2ccccc2OCC2CC2)c1-c1nnn[n-]1 ZINC001592330490 1349622336 /nfs/dbraw/zinc/62/23/36/1349622336.db2.gz HUTACLGBWNVLLU-UHFFFAOYSA-N -1 1 325.376 2.299 20 0 EEADMM Cc1[nH]nc(NCc2ccccc2OCC2CC2)c1-c1nn[n-]n1 ZINC001592330490 1349622340 /nfs/dbraw/zinc/62/23/40/1349622340.db2.gz HUTACLGBWNVLLU-UHFFFAOYSA-N -1 1 325.376 2.299 20 0 EEADMM Cc1nsc(N2CCC[C@@H](c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001592474834 1349634793 /nfs/dbraw/zinc/63/47/93/1349634793.db2.gz ZQMIMARMZLQGAQ-GFCCVEGCSA-N -1 1 327.417 2.411 20 0 EEADMM Cc1nsc(N(C)C[C@@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC001592469639 1349634802 /nfs/dbraw/zinc/63/48/02/1349634802.db2.gz RYKKYGBYIZDSPX-ZDUSSCGKSA-N -1 1 342.428 2.382 20 0 EEADMM Clc1cc2c(c(CNc3cccc(-c4nnn[n-]4)n3)c1)OCC2 ZINC001592527526 1349647655 /nfs/dbraw/zinc/64/76/55/1349647655.db2.gz WUROTNXILDVNKX-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1cc2c(c(CNc3cccc(-c4nn[n-]n4)n3)c1)OCC2 ZINC001592527526 1349647660 /nfs/dbraw/zinc/64/76/60/1349647660.db2.gz WUROTNXILDVNKX-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM FC(F)(F)CN(Cc1nc(-c2nnn[n-]2)cs1)CC1CCC1 ZINC001592614165 1349670915 /nfs/dbraw/zinc/67/09/15/1349670915.db2.gz GEGZDWYGPWIXAY-UHFFFAOYSA-N -1 1 332.355 2.488 20 0 EEADMM FC(F)(F)CN(Cc1nc(-c2nn[n-]n2)cs1)CC1CCC1 ZINC001592614165 1349670916 /nfs/dbraw/zinc/67/09/16/1349670916.db2.gz GEGZDWYGPWIXAY-UHFFFAOYSA-N -1 1 332.355 2.488 20 0 EEADMM FC(F)(F)C1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001592613799 1349671307 /nfs/dbraw/zinc/67/13/07/1349671307.db2.gz LOFPSBUSWPWCCW-UHFFFAOYSA-N -1 1 325.298 2.289 20 0 EEADMM FC(F)(F)C1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001592613799 1349671314 /nfs/dbraw/zinc/67/13/14/1349671314.db2.gz LOFPSBUSWPWCCW-UHFFFAOYSA-N -1 1 325.298 2.289 20 0 EEADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CC(C(F)(F)F)C2)c1 ZINC001592620614 1349674876 /nfs/dbraw/zinc/67/48/76/1349674876.db2.gz RGYHVEPIBJYPJJ-UHFFFAOYSA-N -1 1 338.215 2.279 20 0 EEADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CC(C(F)(F)F)C2)c1 ZINC001592620614 1349674879 /nfs/dbraw/zinc/67/48/79/1349674879.db2.gz RGYHVEPIBJYPJJ-UHFFFAOYSA-N -1 1 338.215 2.279 20 0 EEADMM FCCC1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001592631927 1349682586 /nfs/dbraw/zinc/68/25/86/1349682586.db2.gz KTPXMYCUXUBBRT-UHFFFAOYSA-N -1 1 327.367 2.386 20 0 EEADMM FCCC1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001592631927 1349682590 /nfs/dbraw/zinc/68/25/90/1349682590.db2.gz KTPXMYCUXUBBRT-UHFFFAOYSA-N -1 1 327.367 2.386 20 0 EEADMM Fc1ccccc1C=C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001592659010 1349703274 /nfs/dbraw/zinc/70/32/74/1349703274.db2.gz LYEHHTHNEIINRQ-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM O=C(CCCc1ccc(C2CC2)cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592837089 1349719066 /nfs/dbraw/zinc/71/90/66/1349719066.db2.gz KOVZNBSVMGQUIA-UHFFFAOYSA-N -1 1 337.387 2.429 20 0 EEADMM O=C(Nc1nc(C2CCC2)cs1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593263850 1349755082 /nfs/dbraw/zinc/75/50/82/1349755082.db2.gz ZBFAAGAPYMNZJL-UHFFFAOYSA-N -1 1 327.373 2.238 20 0 EEADMM O=C(Nc1nc(C2CCC2)cs1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593263850 1349755084 /nfs/dbraw/zinc/75/50/84/1349755084.db2.gz ZBFAAGAPYMNZJL-UHFFFAOYSA-N -1 1 327.373 2.238 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCCN2 ZINC001593306930 1349774969 /nfs/dbraw/zinc/77/49/69/1349774969.db2.gz HHXCWCGYPWLWON-UHFFFAOYSA-N -1 1 342.384 2.038 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCCN2 ZINC001593306930 1349774973 /nfs/dbraw/zinc/77/49/73/1349774973.db2.gz HHXCWCGYPWLWON-UHFFFAOYSA-N -1 1 342.384 2.038 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N(CC(F)(F)F)C1CC1 ZINC001593334828 1349781948 /nfs/dbraw/zinc/78/19/48/1349781948.db2.gz BMDXZJOZGHPMNX-UHFFFAOYSA-N -1 1 346.700 2.082 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1C1CCCCC1 ZINC001593348740 1349788184 /nfs/dbraw/zinc/78/81/84/1349788184.db2.gz OMVQVJIHNIRGKP-HNNXBMFYSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1C1CCCCC1 ZINC001593348740 1349788192 /nfs/dbraw/zinc/78/81/92/1349788192.db2.gz OMVQVJIHNIRGKP-HNNXBMFYSA-N -1 1 326.404 2.447 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC(OCC2CC2)CC1 ZINC001593351088 1349789205 /nfs/dbraw/zinc/78/92/05/1349789205.db2.gz YFVZCFVNYGLIBX-UHFFFAOYSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC(OCC2CC2)CC1 ZINC001593351088 1349789209 /nfs/dbraw/zinc/78/92/09/1349789209.db2.gz YFVZCFVNYGLIBX-UHFFFAOYSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N(Cc1cccnc1)C1CC1 ZINC001593371903 1349792453 /nfs/dbraw/zinc/79/24/53/1349792453.db2.gz WHUMIUARSFESMY-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=S(=O)(Oc1c(Cl)cc(F)cc1-c1nn[n-]n1)c1ccoc1 ZINC001593447366 1349801085 /nfs/dbraw/zinc/80/10/85/1349801085.db2.gz QUGHHDYCVFFWEM-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001593445097 1349801415 /nfs/dbraw/zinc/80/14/15/1349801415.db2.gz HTTQPVIVLSMVBV-UHFFFAOYSA-N -1 1 340.368 2.149 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCCC2(CCCCC2)C1 ZINC001593492270 1349818489 /nfs/dbraw/zinc/81/84/89/1349818489.db2.gz FIWKHOKKGYOUHD-UHFFFAOYSA-N -1 1 328.420 2.032 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001593493974 1349818801 /nfs/dbraw/zinc/81/88/01/1349818801.db2.gz CIRKHEMTOXCSON-STQMWFEESA-N -1 1 329.310 2.077 20 0 EEADMM OC1(c2ccc(Cl)cc2)CN(Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001593517194 1349828962 /nfs/dbraw/zinc/82/89/62/1349828962.db2.gz XBLSEKSOIAKBRL-UHFFFAOYSA-N -1 1 347.831 2.285 20 0 EEADMM O[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001593519370 1349829798 /nfs/dbraw/zinc/82/97/98/1349829798.db2.gz LVANOXTXLIJPQV-VNQPRFMTSA-N -1 1 328.420 2.172 20 0 EEADMM O[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001593519370 1349829800 /nfs/dbraw/zinc/82/98/00/1349829800.db2.gz LVANOXTXLIJPQV-VNQPRFMTSA-N -1 1 328.420 2.172 20 0 EEADMM O[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]2CCCC[C@H]12 ZINC001593518530 1349830201 /nfs/dbraw/zinc/83/02/01/1349830201.db2.gz AXHOAQVGRGHHNA-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1ccnc(-c2nn[n-]n2)n1 ZINC001593580720 1349861484 /nfs/dbraw/zinc/86/14/84/1349861484.db2.gz PYSFEZNWIDJEQP-LBPRGKRZSA-N -1 1 326.385 2.063 20 0 EEADMM c1cncc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)c1 ZINC001593587197 1349866020 /nfs/dbraw/zinc/86/60/20/1349866020.db2.gz CVFYOPAEJYHJGU-CQSZACIVSA-N -1 1 348.414 2.313 20 0 EEADMM c1cncc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)c1 ZINC001593587197 1349866024 /nfs/dbraw/zinc/86/60/24/1349866024.db2.gz CVFYOPAEJYHJGU-CQSZACIVSA-N -1 1 348.414 2.313 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001600013057 1349955491 /nfs/dbraw/zinc/95/54/91/1349955491.db2.gz XWSDGUVENCZBSR-TUAOUCFPSA-N -1 1 327.812 2.126 20 0 EEADMM Cc1cc([C@@H](C)[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001600149209 1349980391 /nfs/dbraw/zinc/98/03/91/1349980391.db2.gz IQZBJGVTYGHLMA-OTYXRUKQSA-N -1 1 348.321 2.490 20 0 EEADMM Cc1[nH]c(CN[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC001600412201 1350044388 /nfs/dbraw/zinc/04/43/88/1350044388.db2.gz COZRUIRFQHZFAU-QGZVFWFLSA-N -1 1 341.411 2.220 20 0 EEADMM Cc1ccc(N2CCC[C@H](N[C@@H](C[C@H]3CCCO3)C(=O)[O-])C2=O)cc1 ZINC001600434284 1350050192 /nfs/dbraw/zinc/05/01/92/1350050192.db2.gz ANFLTSIPGBCZQY-IKGGRYGDSA-N -1 1 346.427 2.102 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cccc3n[nH]cc32)c1C(=O)[O-] ZINC001600550677 1350079985 /nfs/dbraw/zinc/07/99/85/1350079985.db2.gz MAIYZNLVYGTYQI-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM Cc1cnc(N2CCN(Cc3ccccc3CC(=O)[O-])CC2)s1 ZINC001600624225 1350100656 /nfs/dbraw/zinc/10/06/56/1350100656.db2.gz OAJKZEKLKSCLLT-UHFFFAOYSA-N -1 1 331.441 2.401 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC001600652015 1350108140 /nfs/dbraw/zinc/10/81/40/1350108140.db2.gz SKNLJSZEWDZNJJ-SRVKXCTJSA-N -1 1 340.445 2.175 20 0 EEADMM Cc1nc(-c2ccccc2)oc1CN1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001600680005 1350115717 /nfs/dbraw/zinc/11/57/17/1350115717.db2.gz SURVSCWOJHDGFS-GOSISDBHSA-N -1 1 341.367 2.455 20 0 EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600729411 1350122937 /nfs/dbraw/zinc/12/29/37/1350122937.db2.gz QXEDBEIUXSLPDB-ZDUSSCGKSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC001600784759 1350136247 /nfs/dbraw/zinc/13/62/47/1350136247.db2.gz RNFSBRUUBKKUFA-WBVHZDCISA-N -1 1 335.448 2.364 20 0 EEADMM Cc1oc(CN(C)Cc2ccc(-n3cncn3)cc2)cc1C(=O)[O-] ZINC001600842734 1350149751 /nfs/dbraw/zinc/14/97/51/1350149751.db2.gz CVZONQXFEFDGJT-UHFFFAOYSA-N -1 1 326.356 2.499 20 0 EEADMM Cc1sc(NC(=O)CN[C@@H](C(=O)[O-])C2CCOCC2)c(C)c1C ZINC001600886642 1350160096 /nfs/dbraw/zinc/16/00/96/1350160096.db2.gz AVNRMBDKGAXXRQ-CQSZACIVSA-N -1 1 340.445 2.081 20 0 EEADMM Cn1c(CNC[C@](O)(c2ccccc2)C(F)(F)F)ccc1C(=O)[O-] ZINC001600916169 1350167294 /nfs/dbraw/zinc/16/72/94/1350167294.db2.gz OZZMYOXLYXDRJG-HNNXBMFYSA-N -1 1 342.317 2.263 20 0 EEADMM NC(=O)C[C@H]1CCCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001601147312 1350220479 /nfs/dbraw/zinc/22/04/79/1350220479.db2.gz CXDZPDWTMDPRBI-OAHLLOKOSA-N -1 1 343.383 2.270 20 0 EEADMM N[C@@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC001601172147 1350224736 /nfs/dbraw/zinc/22/47/36/1350224736.db2.gz PPZWVZPIFOJSCA-GOSISDBHSA-N -1 1 342.395 2.246 20 0 EEADMM N[C@H](Cc1cc2ccccc2o1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001601176372 1350226049 /nfs/dbraw/zinc/22/60/49/1350226049.db2.gz PBEIQGAMBQWAQS-MKVSYHDVSA-N -1 1 342.395 2.014 20 0 EEADMM O=C([O-])c1coc(/C=C/C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1 ZINC001601234600 1350238366 /nfs/dbraw/zinc/23/83/66/1350238366.db2.gz XHRAWFVBVRLFNL-MOEXGYKKSA-N -1 1 340.379 2.382 20 0 EEADMM O=C([O-])C1([C@@]2(O)CCCN(Cc3cn4cccc(F)c4n3)C2)CCC1 ZINC001601705545 1350343922 /nfs/dbraw/zinc/34/39/22/1350343922.db2.gz GDMVNGDOSINBLE-GOSISDBHSA-N -1 1 347.390 2.055 20 0 EEADMM O=C([O-])C12CCC(C(=O)NC[C@H]3CCN3Cc3ccccc3)(CC1)C2 ZINC001601730283 1350349833 /nfs/dbraw/zinc/34/98/33/1350349833.db2.gz PLSDUJXKOCFDIJ-PBPGXSGUSA-N -1 1 342.439 2.412 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(C[C@H]3CC[C@@H](c4ccccc4)O3)C2)C1 ZINC001601745072 1350353693 /nfs/dbraw/zinc/35/36/93/1350353693.db2.gz RFYRFIVQWWMXNO-UWWQBHOKSA-N -1 1 330.384 2.212 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCN(C/C=C\c1ccccc1)C1CC1 ZINC001601776848 1350362592 /nfs/dbraw/zinc/36/25/92/1350362592.db2.gz AOCXTLWKWHUKMI-BDLCJYEQSA-N -1 1 328.412 2.001 20 0 EEADMM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001601811454 1350369958 /nfs/dbraw/zinc/36/99/58/1350369958.db2.gz QUZXDXOEHVNDBH-AWEZNQCLSA-N -1 1 329.356 2.252 20 0 EEADMM O=C([O-])CCSCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC001602029492 1350421420 /nfs/dbraw/zinc/42/14/20/1350421420.db2.gz PNORTSLDFCFJRF-UHFFFAOYSA-N -1 1 337.319 2.349 20 0 EEADMM O=C([O-])c1ccc(C(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC001602321823 1350493479 /nfs/dbraw/zinc/49/34/79/1350493479.db2.gz MCUBBIAAERTVGO-HNNXBMFYSA-N -1 1 336.351 2.065 20 0 EEADMM O=C([O-])c1ccc(OCCN2CCN3C[C@@H](F)C[C@H]3C2)c(Cl)c1 ZINC001602389983 1350509096 /nfs/dbraw/zinc/50/90/96/1350509096.db2.gz ZWCVBQZLBWBRIF-STQMWFEESA-N -1 1 342.798 2.145 20 0 EEADMM O=C([O-])c1ccnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1 ZINC001602480057 1350528699 /nfs/dbraw/zinc/52/86/99/1350528699.db2.gz GAEJPSIHMZAQJO-UHFFFAOYSA-N -1 1 341.293 2.301 20 0 EEADMM O=C([O-])c1cn(-c2cccc(NC(=O)c3cccc4nc[nH]c43)c2)nn1 ZINC001602495948 1350532336 /nfs/dbraw/zinc/53/23/36/1350532336.db2.gz WZDBYQNLMNQEHN-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1 ZINC001602510365 1350534664 /nfs/dbraw/zinc/53/46/64/1350534664.db2.gz KPUAXKMOYDFHFR-HBNTYKKESA-N -1 1 346.412 2.074 20 0 EEADMM O=C([O-])c1coc(CNC2CC(S(=O)(=O)c3ccccc3)C2)c1 ZINC001602555449 1350545542 /nfs/dbraw/zinc/54/55/42/1350545542.db2.gz REGRCJKMCKAXIN-UHFFFAOYSA-N -1 1 335.381 2.072 20 0 EEADMM CC(=O)Nc1cccc2c1CCN(c1cc(C)nc(-c3nnn[n-]3)c1)C2 ZINC001602955684 1350610669 /nfs/dbraw/zinc/61/06/69/1350610669.db2.gz BIHMJHCMBALUHI-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1cccc2c1CCN(c1cc(C)nc(-c3nn[n-]n3)c1)C2 ZINC001602955684 1350610673 /nfs/dbraw/zinc/61/06/73/1350610673.db2.gz BIHMJHCMBALUHI-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(C)(C)n1nccc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603133845 1350647154 /nfs/dbraw/zinc/64/71/54/1350647154.db2.gz XCNMZCMEZSXDKB-UHFFFAOYSA-N -1 1 346.782 2.119 20 0 EEADMM CC(C)CN(CC(C)C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603288920 1350680877 /nfs/dbraw/zinc/68/08/77/1350680877.db2.gz VIIPYROXCDXMPT-UHFFFAOYSA-N -1 1 337.453 2.147 20 0 EEADMM CC(C)CN(CC(C)C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603288920 1350680884 /nfs/dbraw/zinc/68/08/84/1350680884.db2.gz VIIPYROXCDXMPT-UHFFFAOYSA-N -1 1 337.453 2.147 20 0 EEADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)c1 ZINC001603402584 1350701013 /nfs/dbraw/zinc/70/10/13/1350701013.db2.gz VIVBBOBFWWTUTC-UHFFFAOYSA-N -1 1 333.373 2.384 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001603448814 1350706610 /nfs/dbraw/zinc/70/66/10/1350706610.db2.gz JHZPKNFLOXOYPT-ZETCQYMHSA-N -1 1 333.302 2.000 20 0 EEADMM C[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001603448814 1350706612 /nfs/dbraw/zinc/70/66/12/1350706612.db2.gz JHZPKNFLOXOYPT-ZETCQYMHSA-N -1 1 333.302 2.000 20 0 EEADMM CC1(C)CCC[C@@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001603775303 1350765154 /nfs/dbraw/zinc/76/51/54/1350765154.db2.gz WCYXTSAVGPIJKX-LLVKDONJSA-N -1 1 332.335 2.310 20 0 EEADMM CC1(C)CCC[C@@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603775303 1350765158 /nfs/dbraw/zinc/76/51/58/1350765158.db2.gz WCYXTSAVGPIJKX-LLVKDONJSA-N -1 1 332.335 2.310 20 0 EEADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603845458 1350781448 /nfs/dbraw/zinc/78/14/48/1350781448.db2.gz PJZULMMQJGOPPN-GXTWGEPZSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603845458 1350781451 /nfs/dbraw/zinc/78/14/51/1350781451.db2.gz PJZULMMQJGOPPN-GXTWGEPZSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603864471 1350786054 /nfs/dbraw/zinc/78/60/54/1350786054.db2.gz HDXWRTUOYSTKTJ-YTWAJWBKSA-N -1 1 329.408 2.049 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603864471 1350786056 /nfs/dbraw/zinc/78/60/56/1350786056.db2.gz HDXWRTUOYSTKTJ-YTWAJWBKSA-N -1 1 329.408 2.049 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001603864467 1350786587 /nfs/dbraw/zinc/78/65/87/1350786587.db2.gz HDXWRTUOYSTKTJ-RCWTZXSCSA-N -1 1 329.408 2.049 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001603864467 1350786589 /nfs/dbraw/zinc/78/65/89/1350786589.db2.gz HDXWRTUOYSTKTJ-RCWTZXSCSA-N -1 1 329.408 2.049 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603867576 1350787157 /nfs/dbraw/zinc/78/71/57/1350787157.db2.gz JEERZYIENLGPDJ-GXFFZTMASA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001603868725 1350787257 /nfs/dbraw/zinc/78/72/57/1350787257.db2.gz YRMXRLZVRWSAHS-CZUORRHYSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001603868725 1350787259 /nfs/dbraw/zinc/78/72/59/1350787259.db2.gz YRMXRLZVRWSAHS-CZUORRHYSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001603867575 1350787542 /nfs/dbraw/zinc/78/75/42/1350787542.db2.gz JEERZYIENLGPDJ-GWCFXTLKSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]21 ZINC001603924800 1350802988 /nfs/dbraw/zinc/80/29/88/1350802988.db2.gz PHAQSMRAXFAENO-SCDSUCTJSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]21 ZINC001603924800 1350802994 /nfs/dbraw/zinc/80/29/94/1350802994.db2.gz PHAQSMRAXFAENO-SCDSUCTJSA-N -1 1 327.392 2.304 20 0 EEADMM CC[C@H](C)C[C@H](CO)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001604001386 1350826641 /nfs/dbraw/zinc/82/66/41/1350826641.db2.gz TUZLPFHRSLRXAY-WDEREUQCSA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@H](C)C[C@H](CO)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001604001386 1350826642 /nfs/dbraw/zinc/82/66/42/1350826642.db2.gz TUZLPFHRSLRXAY-WDEREUQCSA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)c1nnc(NC(=O)CN[C@@]2(C(=O)[O-])CC[C@H](C)CC2)s1 ZINC001604026933 1350833246 /nfs/dbraw/zinc/83/32/46/1350833246.db2.gz RIFHKEBETWMHNC-LGZQZNNBSA-N -1 1 340.449 2.223 20 0 EEADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC001604064898 1350844009 /nfs/dbraw/zinc/84/40/09/1350844009.db2.gz TVOROLLQRKFSKM-GFCCVEGCSA-N -1 1 347.386 2.032 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)Nc1nccs1)c1cccc(F)c1 ZINC001604087308 1350851790 /nfs/dbraw/zinc/85/17/90/1350851790.db2.gz DUGQISFSCWENPD-OAHLLOKOSA-N -1 1 337.376 2.200 20 0 EEADMM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001604101642 1350858556 /nfs/dbraw/zinc/85/85/56/1350858556.db2.gz ZAWLOBIBSVKEDR-VHSXEESVSA-N -1 1 341.462 2.175 20 0 EEADMM CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001604101642 1350858562 /nfs/dbraw/zinc/85/85/62/1350858562.db2.gz ZAWLOBIBSVKEDR-VHSXEESVSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H](CCC(C)(C)C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001604131858 1350867669 /nfs/dbraw/zinc/86/76/69/1350867669.db2.gz HRVWMOODKCKEED-KGLIPLIRSA-N -1 1 327.469 2.392 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604155743 1350876657 /nfs/dbraw/zinc/87/66/57/1350876657.db2.gz KHXGKJCWFLEWNI-MNOVXSKESA-N -1 1 349.464 2.481 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604155743 1350876659 /nfs/dbraw/zinc/87/66/59/1350876659.db2.gz KHXGKJCWFLEWNI-MNOVXSKESA-N -1 1 349.464 2.481 20 0 EEADMM CCCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001604185245 1350888039 /nfs/dbraw/zinc/88/80/39/1350888039.db2.gz ZTTOFWDCZRUXKO-UHFFFAOYSA-N -1 1 332.433 2.391 20 0 EEADMM CCCCO[C@@H]1C[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001604187542 1350888491 /nfs/dbraw/zinc/88/84/91/1350888491.db2.gz NEGYKRMFOJJYAM-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@@H]1C[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001604187542 1350888495 /nfs/dbraw/zinc/88/84/95/1350888495.db2.gz NEGYKRMFOJJYAM-CHWSQXEVSA-N -1 1 331.424 2.077 20 0 EEADMM CCCn1ncc(Nc2cc(-c3nnn[n-]3)nc(C)n2)c1C1CC1 ZINC001604253353 1350903215 /nfs/dbraw/zinc/90/32/15/1350903215.db2.gz QODNNSDXVQTYJU-UHFFFAOYSA-N -1 1 325.380 2.193 20 0 EEADMM CCCn1ncc(Nc2cc(-c3nn[n-]n3)nc(C)n2)c1C1CC1 ZINC001604253353 1350903217 /nfs/dbraw/zinc/90/32/17/1350903217.db2.gz QODNNSDXVQTYJU-UHFFFAOYSA-N -1 1 325.380 2.193 20 0 EEADMM C[C@@H](O)CCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001604384509 1350926798 /nfs/dbraw/zinc/92/67/98/1350926798.db2.gz SRMZYVHJXKDBAG-CJNGLKHVSA-N -1 1 340.851 2.244 20 0 EEADMM CCO[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)oc1C)C1CCCC1 ZINC001604402738 1350929957 /nfs/dbraw/zinc/92/99/57/1350929957.db2.gz ZVHCFVXTUKRGLJ-AWEZNQCLSA-N -1 1 347.419 2.483 20 0 EEADMM CCO[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)oc1C)C1CCCC1 ZINC001604402738 1350929961 /nfs/dbraw/zinc/92/99/61/1350929961.db2.gz ZVHCFVXTUKRGLJ-AWEZNQCLSA-N -1 1 347.419 2.483 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(CC)CC ZINC001604412180 1350932968 /nfs/dbraw/zinc/93/29/68/1350932968.db2.gz ILQASBPTWCIQHQ-QWHCGFSZSA-N -1 1 331.424 2.361 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(CC)CC ZINC001604412180 1350932972 /nfs/dbraw/zinc/93/29/72/1350932972.db2.gz ILQASBPTWCIQHQ-QWHCGFSZSA-N -1 1 331.424 2.361 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001604478686 1350946730 /nfs/dbraw/zinc/94/67/30/1350946730.db2.gz MRHPCOUJWUNHHK-GHMZBOCLSA-N -1 1 347.448 2.400 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001604478686 1350946734 /nfs/dbraw/zinc/94/67/34/1350946734.db2.gz MRHPCOUJWUNHHK-GHMZBOCLSA-N -1 1 347.448 2.400 20 0 EEADMM CCc1cc(C)c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)o1 ZINC001604517118 1350953421 /nfs/dbraw/zinc/95/34/21/1350953421.db2.gz FRXXGYSKDDLJPP-UHFFFAOYSA-N -1 1 327.348 2.183 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NCc1nc(-c3nnn[n-]3)cs1)CCO2 ZINC001604528732 1350955437 /nfs/dbraw/zinc/95/54/37/1350955437.db2.gz XJYGLLMUGLEHEL-LBPRGKRZSA-N -1 1 342.428 2.499 20 0 EEADMM CCc1ccc2c(c1)[C@@H](NCc1nc(-c3nn[n-]n3)cs1)CCO2 ZINC001604528732 1350955438 /nfs/dbraw/zinc/95/54/38/1350955438.db2.gz XJYGLLMUGLEHEL-LBPRGKRZSA-N -1 1 342.428 2.499 20 0 EEADMM CCc1nc(N[C@@H](C)c2cnn(C(C)C)c2)cc(-c2nnn[n-]2)n1 ZINC001604556063 1350960201 /nfs/dbraw/zinc/96/02/01/1350960201.db2.gz QQRLDVNLDGGUAM-JTQLQIEISA-N -1 1 327.396 2.170 20 0 EEADMM CCc1nc(N[C@@H](C)c2cnn(C(C)C)c2)cc(-c2nn[n-]n2)n1 ZINC001604556063 1350960205 /nfs/dbraw/zinc/96/02/05/1350960205.db2.gz QQRLDVNLDGGUAM-JTQLQIEISA-N -1 1 327.396 2.170 20 0 EEADMM CC1([C@H]2CCCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)OCCO1 ZINC001604565165 1350961451 /nfs/dbraw/zinc/96/14/51/1350961451.db2.gz FMIAEAJISYJHDO-ZDUSSCGKSA-N -1 1 345.399 2.236 20 0 EEADMM CCc1nnc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)s1 ZINC001604581103 1350964096 /nfs/dbraw/zinc/96/40/96/1350964096.db2.gz DOXSJBJCKXPYNG-UHFFFAOYSA-N -1 1 328.814 2.003 20 0 EEADMM CCc1nnc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001604581103 1350964099 /nfs/dbraw/zinc/96/40/99/1350964099.db2.gz DOXSJBJCKXPYNG-UHFFFAOYSA-N -1 1 328.814 2.003 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCCSC[C@H]2c2cnn(C)c2)O1 ZINC001604610021 1350969555 /nfs/dbraw/zinc/96/95/55/1350969555.db2.gz KQRNAYFKJDFXSZ-ZFWWWQNUSA-N -1 1 337.445 2.048 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CC(C(C)(C)C)C1 ZINC001604791460 1351005748 /nfs/dbraw/zinc/00/57/48/1351005748.db2.gz XGHIJPAMBFJENW-IYXRBSQSSA-N -1 1 325.453 2.002 20 0 EEADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001604800529 1351008078 /nfs/dbraw/zinc/00/80/78/1351008078.db2.gz IWPKXOVUIUVSIA-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001604800529 1351008081 /nfs/dbraw/zinc/00/80/81/1351008081.db2.gz IWPKXOVUIUVSIA-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001604873595 1351023938 /nfs/dbraw/zinc/02/39/38/1351023938.db2.gz MHMYGKHIAZVIKH-IUODEOHRSA-N -1 1 331.347 2.134 20 0 EEADMM CC[C@H](N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1OC ZINC001605089958 1351075899 /nfs/dbraw/zinc/07/58/99/1351075899.db2.gz OROGEAJSCQSFDH-BBRMVZONSA-N -1 1 348.443 2.448 20 0 EEADMM COCc1cccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1 ZINC001605133890 1351085153 /nfs/dbraw/zinc/08/51/53/1351085153.db2.gz JFWSEORSSQCGCA-UHFFFAOYSA-N -1 1 344.400 2.055 20 0 EEADMM COCc1cccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1 ZINC001605133890 1351085157 /nfs/dbraw/zinc/08/51/57/1351085157.db2.gz JFWSEORSSQCGCA-UHFFFAOYSA-N -1 1 344.400 2.055 20 0 EEADMM CON(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605143206 1351087059 /nfs/dbraw/zinc/08/70/59/1351087059.db2.gz JNZOSIFYXLUYEI-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM CON(Cc1ccccc1Cl)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605143206 1351087062 /nfs/dbraw/zinc/08/70/62/1351087062.db2.gz JNZOSIFYXLUYEI-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001605172248 1351094650 /nfs/dbraw/zinc/09/46/50/1351094650.db2.gz CNERCUOUGVDJPS-IAGOWNOFSA-N -1 1 348.443 2.371 20 0 EEADMM COc1ccc2ccccc2c1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001605311902 1351133215 /nfs/dbraw/zinc/13/32/15/1351133215.db2.gz REBZOJMCKWFZRV-UHFFFAOYSA-N -1 1 332.367 2.458 20 0 EEADMM COc1ccc2ccccc2c1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001605311902 1351133217 /nfs/dbraw/zinc/13/32/17/1351133217.db2.gz REBZOJMCKWFZRV-UHFFFAOYSA-N -1 1 332.367 2.458 20 0 EEADMM COc1ncc(NC(=O)C=C(C)c2cccs2)cc1-c1nn[n-]n1 ZINC001605346887 1351142590 /nfs/dbraw/zinc/14/25/90/1351142590.db2.gz FJIARXZPVZZIHY-TWGQIWQCSA-N -1 1 342.384 2.374 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccc2ccccc2n1 ZINC001605510570 1351174797 /nfs/dbraw/zinc/17/47/97/1351174797.db2.gz DTPYDSXLSCCWIB-UHFFFAOYSA-N -1 1 347.338 2.076 20 0 EEADMM CCOC(=O)C1(COC)CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001605520396 1351177694 /nfs/dbraw/zinc/17/76/94/1351177694.db2.gz BYOBSABKPRWZLW-LBPRGKRZSA-N -1 1 339.388 2.331 20 0 EEADMM CCOC(=O)C1(COC)CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC001605520395 1351177911 /nfs/dbraw/zinc/17/79/11/1351177911.db2.gz BYOBSABKPRWZLW-GFCCVEGCSA-N -1 1 339.388 2.331 20 0 EEADMM CCOC(=O)c1cccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC001605574018 1351192504 /nfs/dbraw/zinc/19/25/04/1351192504.db2.gz GJCRWRMGIGRCOJ-KRWDZBQOSA-N -1 1 340.379 2.442 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C)C1(CC)CC ZINC001605600507 1351198116 /nfs/dbraw/zinc/19/81/16/1351198116.db2.gz UXPRZTCPJKSDIG-FMKPAKJESA-N -1 1 342.480 2.127 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1O ZINC001605668871 1351213626 /nfs/dbraw/zinc/21/36/26/1351213626.db2.gz MDHRLRGTAZBGJE-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1O ZINC001605668871 1351213630 /nfs/dbraw/zinc/21/36/30/1351213630.db2.gz MDHRLRGTAZBGJE-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001605862582 1351239773 /nfs/dbraw/zinc/23/97/73/1351239773.db2.gz TZILOICETBPELP-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1ccc(F)c(CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001605862582 1351239778 /nfs/dbraw/zinc/23/97/78/1351239778.db2.gz TZILOICETBPELP-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1nsc(Nc2ccc3ccc(=O)n(C)c3c2)c1-c1nn[n-]n1 ZINC001606163642 1351280157 /nfs/dbraw/zinc/28/01/57/1351280157.db2.gz RWCZALCMKBXAJS-UHFFFAOYSA-N -1 1 339.384 2.227 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2=CCCCC2)c1-c1nnn[n-]1 ZINC001606179798 1351282425 /nfs/dbraw/zinc/28/24/25/1351282425.db2.gz IAQPKPJBBUNJIP-UHFFFAOYSA-N -1 1 344.419 2.348 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2=CCCCC2)c1-c1nn[n-]n1 ZINC001606179798 1351282429 /nfs/dbraw/zinc/28/24/29/1351282429.db2.gz IAQPKPJBBUNJIP-UHFFFAOYSA-N -1 1 344.419 2.348 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1(c2cccs2)CCCCC1 ZINC001606444780 1351303312 /nfs/dbraw/zinc/30/33/12/1351303312.db2.gz AKQDLFKSFVWBAH-UHFFFAOYSA-N -1 1 343.416 2.249 20 0 EEADMM CO[C@H](CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC001606676404 1351341195 /nfs/dbraw/zinc/34/11/95/1351341195.db2.gz OXGIZDUUFDVLHN-GAJTVXKRSA-N -1 1 331.771 2.246 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC001606580523 1351325975 /nfs/dbraw/zinc/32/59/75/1351325975.db2.gz IXKYOSPJIDPSCF-RYUDHWBXSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(NCc1nc(C2CC2)cs1)c1ccsc1-c1nnn[n-]1 ZINC001606847046 1351366702 /nfs/dbraw/zinc/36/67/02/1351366702.db2.gz GHLDKHOZPHEINO-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1nc(C2CC2)cs1)c1ccsc1-c1nn[n-]n1 ZINC001606847046 1351366705 /nfs/dbraw/zinc/36/67/05/1351366705.db2.gz GHLDKHOZPHEINO-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM COCCN(CCOc1ccc(F)cc1)Cc1ccc(C(=O)[O-])[nH]1 ZINC001606890184 1351370072 /nfs/dbraw/zinc/37/00/72/1351370072.db2.gz SVBUCXGEFUISOU-UHFFFAOYSA-N -1 1 336.363 2.379 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCC[C@H](F)C1 ZINC001606950096 1351383223 /nfs/dbraw/zinc/38/32/23/1351383223.db2.gz PUJZJXANHYHXDR-WDSKDSINSA-N -1 1 330.776 2.443 20 0 EEADMM COCc1ccc(CNC(=O)CN[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001606958208 1351384451 /nfs/dbraw/zinc/38/44/51/1351384451.db2.gz BGQYHJACTOVJAE-QUWSVYMGSA-N -1 1 348.443 2.072 20 0 EEADMM O=C([O-])CC[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001606960783 1351385056 /nfs/dbraw/zinc/38/50/56/1351385056.db2.gz MHANVDXEXJDCDR-VXGBXAGGSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(OCc1ccnc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606982304 1351391381 /nfs/dbraw/zinc/39/13/81/1351391381.db2.gz LBKAQAOKTDMMHW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606982304 1351391383 /nfs/dbraw/zinc/39/13/83/1351391383.db2.gz LBKAQAOKTDMMHW-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC1CC1)c1cccc(F)c1 ZINC001607016370 1351397616 /nfs/dbraw/zinc/39/76/16/1351397616.db2.gz WURLVAVCQAJVRG-UHFFFAOYSA-N -1 1 338.346 2.458 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC1CC1)c1cccc(F)c1 ZINC001607016370 1351397619 /nfs/dbraw/zinc/39/76/19/1351397619.db2.gz WURLVAVCQAJVRG-UHFFFAOYSA-N -1 1 338.346 2.458 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C/C(Cl)=C\Cl)CCCC2 ZINC001607089444 1351412992 /nfs/dbraw/zinc/41/29/92/1351412992.db2.gz UMDNKLBSRZYLDN-WEVVVXLNSA-N -1 1 326.187 2.226 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(CF)cc1)CCC2 ZINC001607088849 1351413328 /nfs/dbraw/zinc/41/33/28/1351413328.db2.gz BYTUKRWJBPBKAK-UHFFFAOYSA-N -1 1 325.347 2.035 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607124961 1351428601 /nfs/dbraw/zinc/42/86/01/1351428601.db2.gz JRYCHLZDAJJYCU-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1nc(-c2ccccc2)sc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607124961 1351428606 /nfs/dbraw/zinc/42/86/06/1351428606.db2.gz JRYCHLZDAJJYCU-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1nn(-c2ccccc2)cc1[C@@H]1C[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001607128508 1351431266 /nfs/dbraw/zinc/43/12/66/1351431266.db2.gz NYZPFVHPLDUZQI-GOEBONIOSA-N -1 1 344.382 2.415 20 0 EEADMM c1nn(-c2ccccc2)cc1[C@@H]1C[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC001607128508 1351431269 /nfs/dbraw/zinc/43/12/69/1351431269.db2.gz NYZPFVHPLDUZQI-GOEBONIOSA-N -1 1 344.382 2.415 20 0 EEADMM COc1cc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)ccc1F ZINC001607158353 1351440095 /nfs/dbraw/zinc/44/00/95/1351440095.db2.gz YUXKVHJUOVTQAR-UHFFFAOYSA-N -1 1 337.391 2.416 20 0 EEADMM COc1cc2c(cc1F)nccc2N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607191669 1351446067 /nfs/dbraw/zinc/44/60/67/1351446067.db2.gz PHZDPYLKNGDQIW-QGZVFWFLSA-N -1 1 345.330 2.192 20 0 EEADMM COc1ccc(C)cc1[C@H](C)N[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001607236651 1351455846 /nfs/dbraw/zinc/45/58/46/1351455846.db2.gz QQCWXACNERSHPB-DZGCQCFKSA-N -1 1 334.416 2.120 20 0 EEADMM COc1ccc2c(c1)C1=NN(c3ccc(CC(=O)[O-])cc3)C(=O)[C@H]1C2 ZINC001607294019 1351466587 /nfs/dbraw/zinc/46/65/87/1351466587.db2.gz BJVHBDSKRCPFEQ-INIZCTEOSA-N -1 1 336.347 2.246 20 0 EEADMM COc1cccc(C[C@H](N)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001607318195 1351472470 /nfs/dbraw/zinc/47/24/70/1351472470.db2.gz IGRPGJDIJMKNLD-KRWDZBQOSA-N -1 1 342.395 2.221 20 0 EEADMM CSc1ccc(C)c(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001607405541 1351489157 /nfs/dbraw/zinc/48/91/57/1351489157.db2.gz RMKUBAVKJDZGJY-CYBMUJFWSA-N -1 1 336.457 2.338 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1Cc2ccccc2CN1 ZINC001607701293 1351542393 /nfs/dbraw/zinc/54/23/93/1351542393.db2.gz XJNQGPSISAVCEX-QGZVFWFLSA-N -1 1 340.379 2.111 20 0 EEADMM Cc1cc(OCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])ccc1C(C)C ZINC001607701086 1351542494 /nfs/dbraw/zinc/54/24/94/1351542494.db2.gz ZPSAJBLJVDQBCF-MRXNPFEDSA-N -1 1 345.399 2.032 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c2c1CCC2 ZINC001607729409 1351547746 /nfs/dbraw/zinc/54/77/46/1351547746.db2.gz UBSDLEXZEDUTIQ-AWEZNQCLSA-N -1 1 330.428 2.105 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC001607739700 1351549520 /nfs/dbraw/zinc/54/95/20/1351549520.db2.gz QUASRZQHVCXVCH-ZDUSSCGKSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001607836604 1351568450 /nfs/dbraw/zinc/56/84/50/1351568450.db2.gz VIUIGGRAOZBTNP-UHFFFAOYSA-N -1 1 339.355 2.378 20 0 EEADMM Cc1cc(CCC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])n[nH]1 ZINC001607848505 1351570918 /nfs/dbraw/zinc/57/09/18/1351570918.db2.gz DVPAEDULHZVHCP-OAHLLOKOSA-N -1 1 329.400 2.019 20 0 EEADMM Cn1nc(C2CC2)cc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001608147125 1351634862 /nfs/dbraw/zinc/63/48/62/1351634862.db2.gz LBZLZVXPIFECFF-UHFFFAOYSA-N -1 1 325.328 2.124 20 0 EEADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(CN2CCCC2)o1 ZINC001608390632 1351684849 /nfs/dbraw/zinc/68/48/49/1351684849.db2.gz AZKPVHDULXSLDV-JTQLQIEISA-N -1 1 334.294 2.011 20 0 EEADMM Cc1ccncc1C(=O)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001633625334 1352614577 /nfs/dbraw/zinc/61/45/77/1352614577.db2.gz BFUUPXHWJJJVTM-ZDUSSCGKSA-N -1 1 346.753 2.215 20 0 EEADMM O=C(NCc1cc2n(n1)CCCO2)c1ccc2ccc(O)cc2c1[O-] ZINC001636944074 1352669832 /nfs/dbraw/zinc/66/98/32/1352669832.db2.gz NDYCSFDGVQDQQF-UHFFFAOYSA-N -1 1 339.351 2.160 20 0 EEADMM O=C(Nc1cccc(CCO)c1)c1[n-]cnc1C(=O)c1ccccc1 ZINC001639010757 1352693294 /nfs/dbraw/zinc/69/32/94/1352693294.db2.gz APZLYFSWEVHCLA-UHFFFAOYSA-N -1 1 335.363 2.428 20 0 EEADMM CC(C)[C@@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CC1 ZINC001646920826 1353047635 /nfs/dbraw/zinc/04/76/35/1353047635.db2.gz LWHJMWXDHCTDDS-CQSZACIVSA-N -1 1 344.467 2.055 20 0 EEADMM CC(C)[C@@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CC1 ZINC001646920826 1353047639 /nfs/dbraw/zinc/04/76/39/1353047639.db2.gz LWHJMWXDHCTDDS-CQSZACIVSA-N -1 1 344.467 2.055 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(C)c1 ZINC001647090649 1353135914 /nfs/dbraw/zinc/13/59/14/1353135914.db2.gz BBENQSPGEPMKAT-ZDUSSCGKSA-N -1 1 327.402 2.092 20 0 EEADMM O=C(N[C@H]1CN2CCC1CC2)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001647609924 1353345605 /nfs/dbraw/zinc/34/56/05/1353345605.db2.gz OEFOCCXRZCLQHA-AWEZNQCLSA-N -1 1 346.818 2.055 20 0 EEADMM C[C@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnn(C)c1 ZINC001648013961 1353413426 /nfs/dbraw/zinc/41/34/26/1353413426.db2.gz GVRPIJXSXWORRB-GFCCVEGCSA-N -1 1 325.372 2.444 20 0 EEADMM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc2nc[nH]c21 ZINC001648699669 1353439755 /nfs/dbraw/zinc/43/97/55/1353439755.db2.gz GXYZTFIWNOCEJY-CQSZACIVSA-N -1 1 348.366 2.100 20 0 EEADMM CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Br)OC ZINC001649810313 1353607516 /nfs/dbraw/zinc/60/75/16/1353607516.db2.gz PGQMRWZCUMGWAK-QMMMGPOBSA-N -1 1 340.214 2.292 20 0 EEADMM O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001649892189 1353639860 /nfs/dbraw/zinc/63/98/60/1353639860.db2.gz JWOFXSXBSRVSAE-ZDUSSCGKSA-N -1 1 339.395 2.071 20 0 EEADMM C[C@H]1C[C@H](NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C[C@@H](C)C1 ZINC001649960884 1353665066 /nfs/dbraw/zinc/66/50/66/1353665066.db2.gz SNUYBRKVFFHKSO-IAZYJMLFSA-N -1 1 335.370 2.131 20 0 EEADMM CC(C)(C(=O)OCc1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC001650481838 1353944294 /nfs/dbraw/zinc/94/42/94/1353944294.db2.gz LWGFAHCNLTWIMM-UHFFFAOYSA-N -1 1 330.266 2.119 20 0 EEADMM CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)ccc1F ZINC000105591617 1358374746 /nfs/dbraw/zinc/37/47/46/1358374746.db2.gz AGFGVTASSWJVCY-UHFFFAOYSA-N -1 1 340.351 2.434 20 0 EEADMM CC[C@@H](C)C(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001388711452 1387664901 /nfs/dbraw/zinc/66/49/01/1387664901.db2.gz WOAYJFKPZHIUGB-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CCn1cc(-c2[nH]ncc2C(=O)N2CCC[C@H](CC(=O)[O-])CC2)cn1 ZINC000836723066 1367728795 /nfs/dbraw/zinc/72/87/95/1367728795.db2.gz RTTVODCRQDBZDE-LBPRGKRZSA-N -1 1 345.403 2.010 20 0 EEADMM CCOC(=O)c1cc[nH]c1NC(=O)c1c([O-])cc(OC)cc1OC ZINC001190110576 1368394817 /nfs/dbraw/zinc/39/48/17/1368394817.db2.gz UJPQNSYMKUVEHG-UHFFFAOYSA-N -1 1 334.328 2.167 20 0 EEADMM C[C@H](Oc1cccnc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121590305 1368818405 /nfs/dbraw/zinc/81/84/05/1368818405.db2.gz IYTJVBVBCLLQOP-QMMMGPOBSA-N -1 1 338.161 2.351 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]c2ccccc2O)C1 ZINC001201689607 1368836048 /nfs/dbraw/zinc/83/60/48/1368836048.db2.gz ZQFZDGLTLASXSW-LLVKDONJSA-N -1 1 342.417 2.143 20 0 EEADMM Cc1ccc(OCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(C)c1 ZINC000005858286 1368918725 /nfs/dbraw/zinc/91/87/25/1368918725.db2.gz CCRUEMDNLIXLMM-UHFFFAOYSA-N -1 1 341.363 2.182 20 0 EEADMM O=C(COC(=O)COc1ccccc1Cl)[N-]C(=O)c1ccccc1 ZINC000005995785 1369012319 /nfs/dbraw/zinc/01/23/19/1369012319.db2.gz HJKFIACXNXTRAV-UHFFFAOYSA-N -1 1 347.754 2.219 20 0 EEADMM Cc1ccc(N2C[C@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)cc1F ZINC000777974986 1369886837 /nfs/dbraw/zinc/88/68/37/1369886837.db2.gz RMCGOXOICWTLOC-SNVBAGLBSA-N -1 1 348.296 2.487 20 0 EEADMM Cc1nonc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000781103416 1371190604 /nfs/dbraw/zinc/19/06/04/1371190604.db2.gz YQRMRHJQSCTQQA-UHFFFAOYSA-N -1 1 344.371 2.398 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2c[nH]c3cccc(F)c23)C1)C(F)(F)F ZINC000831134842 1372366525 /nfs/dbraw/zinc/36/65/25/1372366525.db2.gz QNNFSLBUJFTMES-UHFFFAOYSA-N -1 1 343.280 2.058 20 0 EEADMM O=S(=O)([N-][C@@H]1Cc2ccc(Cl)cc2C1)c1c[nH]nc1Cl ZINC000831392843 1372377117 /nfs/dbraw/zinc/37/71/17/1372377117.db2.gz KIFHKGMYUVUIGE-SNVBAGLBSA-N -1 1 332.212 2.162 20 0 EEADMM CN(Cc1cc(Br)ccc1OCC(=O)[O-])[C@@H]1CCOC1 ZINC001139239985 1372496457 /nfs/dbraw/zinc/49/64/57/1372496457.db2.gz KHYZDMGLZSMIIQ-GFCCVEGCSA-N -1 1 344.205 2.133 20 0 EEADMM Cc1[nH]c(CN2CCC[C@H](Oc3cnccn3)C2)c(C)c1C(=O)[O-] ZINC001140499156 1372588254 /nfs/dbraw/zinc/58/82/54/1372588254.db2.gz OICYLRLIEFLQFV-ZDUSSCGKSA-N -1 1 330.388 2.163 20 0 EEADMM CC(C)(CO)O[N-]C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000836803739 1372748961 /nfs/dbraw/zinc/74/89/61/1372748961.db2.gz MEQAITIBHGPIBW-UHFFFAOYSA-N -1 1 345.355 2.234 20 0 EEADMM Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000837180727 1372772014 /nfs/dbraw/zinc/77/20/14/1372772014.db2.gz KSCRMXDACQYXPN-MFKMUULPSA-N -1 1 335.791 2.429 20 0 EEADMM CCc1cc2c(COC(=O)CC3(O)CCC3)cc(=O)oc2cc1[O-] ZINC000838213027 1372831846 /nfs/dbraw/zinc/83/18/46/1372831846.db2.gz REFKTWLSLJRNGN-UHFFFAOYSA-N -1 1 332.352 2.409 20 0 EEADMM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000847077077 1372982349 /nfs/dbraw/zinc/98/23/49/1372982349.db2.gz GJXLEYLYINSSOY-VIFPVBQESA-N -1 1 346.368 2.225 20 0 EEADMM CCn1c(C2CC2)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848465755 1373153758 /nfs/dbraw/zinc/15/37/58/1373153758.db2.gz BORBJDHHNLSJLM-MWLCHTKSSA-N -1 1 345.369 2.211 20 0 EEADMM CC1(C)C[N@@H+](C2(CNC(=O)c3ncccc3[O-])CCCCC2)CCO1 ZINC001361824373 1373343530 /nfs/dbraw/zinc/34/35/30/1373343530.db2.gz XDPFNISOPNLSFO-UHFFFAOYSA-N -1 1 347.459 2.331 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1[O-] ZINC001361874602 1373350791 /nfs/dbraw/zinc/35/07/91/1373350791.db2.gz WTHNSEUCJMUKRV-UHFFFAOYSA-N -1 1 328.372 2.220 20 0 EEADMM CC(C)[C@@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001362626403 1373439335 /nfs/dbraw/zinc/43/93/35/1373439335.db2.gz KHSMQVSHJGZNQK-PRHODGIISA-N -1 1 325.775 2.490 20 0 EEADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C(Cl)Cl)c1 ZINC001364047335 1373577729 /nfs/dbraw/zinc/57/77/29/1373577729.db2.gz RJAOUNVJLZXGRP-UHFFFAOYSA-N -1 1 342.175 2.210 20 0 EEADMM Cc1nc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])sc1C ZINC001367795757 1374268515 /nfs/dbraw/zinc/26/85/15/1374268515.db2.gz POOLNYDSYSENEJ-SNVBAGLBSA-N -1 1 334.445 2.111 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)CCC(C)(F)F ZINC001371356276 1375405906 /nfs/dbraw/zinc/40/59/06/1375405906.db2.gz VHGMLNPHRDDMLS-LLVKDONJSA-N -1 1 343.374 2.189 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001372834962 1376236293 /nfs/dbraw/zinc/23/62/93/1376236293.db2.gz MMAIHXRUMNSZPK-RDBSUJKOSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1c(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])ccn1C(C)C ZINC001372838086 1376236958 /nfs/dbraw/zinc/23/69/58/1376236958.db2.gz WGXBWBBVTXHOJN-GFCCVEGCSA-N -1 1 344.415 2.026 20 0 EEADMM CN(C(=O)C1CCC(C)(C)CC1)[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001379058049 1380440583 /nfs/dbraw/zinc/44/05/83/1380440583.db2.gz OEGZLWHYPHODFE-CQSZACIVSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@H](NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C)c1ncccn1 ZINC001382514982 1382110273 /nfs/dbraw/zinc/11/02/73/1382110273.db2.gz LROAPCBCHVSOOI-GXTWGEPZSA-N -1 1 343.431 2.073 20 0 EEADMM CC(C)[C@H](C)C(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001383377037 1382466792 /nfs/dbraw/zinc/46/67/92/1382466792.db2.gz SGNBQLIWJMPJOA-KBPBESRZSA-N -1 1 347.459 2.436 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(C)(F)F ZINC001383568539 1382561359 /nfs/dbraw/zinc/56/13/59/1382561359.db2.gz ZLDRFHAMVWJQHT-MNOVXSKESA-N -1 1 343.374 2.236 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C1=CCCCCC1 ZINC001386669424 1386249560 /nfs/dbraw/zinc/24/95/60/1386249560.db2.gz PSCCKIXQIWBWFD-CYBMUJFWSA-N -1 1 331.416 2.302 20 0 EEADMM C[C@H](CNC(=O)CCCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001387079449 1386484257 /nfs/dbraw/zinc/48/42/57/1386484257.db2.gz HVRGQWAJECTABW-CQSZACIVSA-N -1 1 341.411 2.045 20 0 EEADMM C[C@@H](CC(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-])CC(C)(C)C ZINC001387165008 1386544308 /nfs/dbraw/zinc/54/43/08/1386544308.db2.gz HBHYRWAPKNIYAM-QWHCGFSZSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC001387601034 1386878685 /nfs/dbraw/zinc/87/86/85/1386878685.db2.gz XZORLQYBFCOWJZ-AWEZNQCLSA-N -1 1 333.432 2.144 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001392298140 1389959547 /nfs/dbraw/zinc/95/95/47/1389959547.db2.gz UDWCCCDIGGVCPB-LLVKDONJSA-N -1 1 345.399 2.360 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)CN[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC001392472247 1390052999 /nfs/dbraw/zinc/05/29/99/1390052999.db2.gz WAUBPISOHWHETN-BDAKNGLRSA-N -1 1 338.358 2.171 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CC1 ZINC001394875788 1390763392 /nfs/dbraw/zinc/76/33/92/1390763392.db2.gz OSCOFERCDVUNSE-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)C1(C(=O)NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001395014703 1390772031 /nfs/dbraw/zinc/77/20/31/1390772031.db2.gz LYDPJQKUWGSZIG-UHFFFAOYSA-N -1 1 347.459 2.438 20 0 EEADMM CN(C(=O)CCC1CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396787602 1390969181 /nfs/dbraw/zinc/96/91/81/1390969181.db2.gz YSBGOIGKAZVUSD-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H](NC(=O)C1(C)CC1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396877598 1390984687 /nfs/dbraw/zinc/98/46/87/1390984687.db2.gz NFBFPNWRVVTLAO-CHWSQXEVSA-N -1 1 331.416 2.087 20 0 EEADMM CCCC[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397443138 1391226704 /nfs/dbraw/zinc/22/67/04/1391226704.db2.gz YHHIEBVYMCXVMD-RYUDHWBXSA-N -1 1 348.447 2.120 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc[nH]c1C(C)C ZINC001398083038 1391675851 /nfs/dbraw/zinc/67/58/51/1391675851.db2.gz BFRNEZMYGVXJGD-UHFFFAOYSA-N -1 1 344.415 2.131 20 0 EEADMM C[C@@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)CCC1CCCCC1)C1CC1 ZINC001401036671 1396870812 /nfs/dbraw/zinc/87/08/12/1396870812.db2.gz KDBBFIHAMPMMDR-SFHVURJKSA-N -1 1 349.479 2.245 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CNCc2ccc(Cl)cc2F)c1[O-] ZINC001422634294 1400095112 /nfs/dbraw/zinc/09/51/12/1400095112.db2.gz QYYYJKTWJNJTFB-QMMMGPOBSA-N -1 1 340.786 2.124 20 0 EEADMM CCCCCC(=O)N1CCC[C@H]([C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001755202914 1407213505 /nfs/dbraw/zinc/21/35/05/1407213505.db2.gz NZXQIZVLMWYVRA-LSDHHAIUSA-N -1 1 349.479 2.151 20 0 EEADMM CN(C(=O)C1CC(C)(C)C1)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427389743 1402389084 /nfs/dbraw/zinc/38/90/84/1402389084.db2.gz GYZUVZFWVYOCKB-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(CC1CCCC1)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428331273 1402676117 /nfs/dbraw/zinc/67/61/17/1402676117.db2.gz IROSWMPBWYBLCU-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C)C1CCC1 ZINC001428366758 1402692911 /nfs/dbraw/zinc/69/29/11/1402692911.db2.gz KVTYQNMDSNLGFG-WFASDCNBSA-N -1 1 347.459 2.484 20 0 EEADMM CCCC(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001428502830 1402733660 /nfs/dbraw/zinc/73/36/60/1402733660.db2.gz MXVWUIDGQRJQCH-UHFFFAOYSA-N -1 1 345.374 2.273 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCN(CC[C@H]3CCC[C@@H](C)C3)CC2)c1[O-] ZINC001433417705 1403392723 /nfs/dbraw/zinc/39/27/23/1403392723.db2.gz BFMXZZQMKXIWHN-UKRRQHHQSA-N -1 1 334.464 2.398 20 0 EEADMM Cc1cc(NC(=O)CCCc2nn[n-]n2)ccc1C(=O)OC(C)(C)C ZINC001433879333 1403441615 /nfs/dbraw/zinc/44/16/15/1403441615.db2.gz SVQQVZVZMDIMCO-UHFFFAOYSA-N -1 1 345.403 2.425 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001434128594 1403457127 /nfs/dbraw/zinc/45/71/27/1403457127.db2.gz IQDAAZNENAZZAH-CHWSQXEVSA-N -1 1 347.415 2.353 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)c2cc(F)c(F)cc2O1 ZINC001576347097 1403566758 /nfs/dbraw/zinc/56/67/58/1403566758.db2.gz QHTVLYREJDPAPA-SSDOTTSWSA-N -1 1 347.281 2.166 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)c2cc(F)c(F)cc2O1 ZINC001576347097 1403566759 /nfs/dbraw/zinc/56/67/59/1403566759.db2.gz QHTVLYREJDPAPA-SSDOTTSWSA-N -1 1 347.281 2.166 20 0 EEADMM CC[C@H](C)c1nnc(N2CCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576682991 1403596752 /nfs/dbraw/zinc/59/67/52/1403596752.db2.gz HMYMHZYEZIDZDA-NSHDSACASA-N -1 1 342.407 2.213 20 0 EEADMM CC[C@H](C)c1nnc(N2CCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576682991 1403596754 /nfs/dbraw/zinc/59/67/54/1403596754.db2.gz HMYMHZYEZIDZDA-NSHDSACASA-N -1 1 342.407 2.213 20 0 EEADMM CC[C@]1(C)CCN(c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001577110808 1403624018 /nfs/dbraw/zinc/62/40/18/1403624018.db2.gz QIUIDZVOXXKLJG-MRXNPFEDSA-N -1 1 342.407 2.034 20 0 EEADMM CC[C@]1(C)CCN(c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001577110808 1403624022 /nfs/dbraw/zinc/62/40/22/1403624022.db2.gz QIUIDZVOXXKLJG-MRXNPFEDSA-N -1 1 342.407 2.034 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)[C@H](C)[C@H]1OC ZINC001577111903 1403624375 /nfs/dbraw/zinc/62/43/75/1403624375.db2.gz ZAMKGCOJSNQRHN-ZWKOPEQDSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)[C@H](C)[C@H]1OC ZINC001577111903 1403624379 /nfs/dbraw/zinc/62/43/79/1403624379.db2.gz ZAMKGCOJSNQRHN-ZWKOPEQDSA-N -1 1 349.460 2.498 20 0 EEADMM CCCCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001577399434 1403645499 /nfs/dbraw/zinc/64/54/99/1403645499.db2.gz PJTAOHMPQITZFC-GXSJLCMTSA-N -1 1 349.464 2.223 20 0 EEADMM CCOc1cccc(Cl)c1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001578400403 1403747063 /nfs/dbraw/zinc/74/70/63/1403747063.db2.gz KMIBYQSELISOST-UHFFFAOYSA-N -1 1 331.763 2.129 20 0 EEADMM CCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001578526351 1403768409 /nfs/dbraw/zinc/76/84/09/1403768409.db2.gz MMGKLZQMGQSHQQ-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2Cl)c1 ZINC001580608377 1403863002 /nfs/dbraw/zinc/86/30/02/1403863002.db2.gz AJTDTSGFIRCMGI-UHFFFAOYSA-N -1 1 331.763 2.069 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)nn1-c1ccccc1 ZINC001580886504 1403875998 /nfs/dbraw/zinc/87/59/98/1403875998.db2.gz HIXQPJLCNIGTQD-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)nn1-c1ccccc1 ZINC001580886504 1403876007 /nfs/dbraw/zinc/87/60/07/1403876007.db2.gz HIXQPJLCNIGTQD-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM CCC1(O)CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001590500125 1403881099 /nfs/dbraw/zinc/88/10/99/1403881099.db2.gz PEDXWKPQVQUXKV-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM CCC1(O)CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001590500125 1403881106 /nfs/dbraw/zinc/88/11/06/1403881106.db2.gz PEDXWKPQVQUXKV-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM COCc1csc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001591459209 1403916977 /nfs/dbraw/zinc/91/69/77/1403916977.db2.gz MIHNDEGFCINXAK-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM COCc1csc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591459209 1403916985 /nfs/dbraw/zinc/91/69/85/1403916985.db2.gz MIHNDEGFCINXAK-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM Cc1ccc(C(C)C)c(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c1 ZINC001592134722 1404002684 /nfs/dbraw/zinc/00/26/84/1404002684.db2.gz IZTZFIRXMRPIRH-LLVKDONJSA-N -1 1 341.375 2.057 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCOc1ccccc1F ZINC001592500796 1404704579 /nfs/dbraw/zinc/70/45/79/1404704579.db2.gz CCGNRFKVQGXHDC-UHFFFAOYSA-N -1 1 345.334 2.106 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCOc1ccccc1F ZINC001592500796 1404704583 /nfs/dbraw/zinc/70/45/83/1404704583.db2.gz CCGNRFKVQGXHDC-UHFFFAOYSA-N -1 1 345.334 2.106 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001592500006 1404705172 /nfs/dbraw/zinc/70/51/72/1404705172.db2.gz GTAHNMOKJUZNNS-UHFFFAOYSA-N -1 1 347.718 2.403 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC001592500006 1404705178 /nfs/dbraw/zinc/70/51/78/1404705178.db2.gz GTAHNMOKJUZNNS-UHFFFAOYSA-N -1 1 347.718 2.403 20 0 EEADMM Fc1cccc2c1SCC[C@H]2Nc1ncncc1-c1nn[n-]n1 ZINC001592661669 1404706715 /nfs/dbraw/zinc/70/67/15/1404706715.db2.gz XOLOUSPCXHAFIE-LLVKDONJSA-N -1 1 329.364 2.445 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1ccccc1 ZINC001592913397 1404730045 /nfs/dbraw/zinc/73/00/45/1404730045.db2.gz FWLKRJVUBGBHNQ-INIZCTEOSA-N -1 1 348.410 2.038 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1ccccc1 ZINC001592913397 1404730047 /nfs/dbraw/zinc/73/00/47/1404730047.db2.gz FWLKRJVUBGBHNQ-INIZCTEOSA-N -1 1 348.410 2.038 20 0 EEADMM Fc1c(Br)nccc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001606307383 1404784092 /nfs/dbraw/zinc/78/40/92/1404784092.db2.gz YIGOHECPOYDDIU-UHFFFAOYSA-N -1 1 340.112 2.335 20 0 EEADMM Fc1c(Br)nccc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001606307383 1404784098 /nfs/dbraw/zinc/78/40/98/1404784098.db2.gz YIGOHECPOYDDIU-UHFFFAOYSA-N -1 1 340.112 2.335 20 0 EEADMM Fc1ccccc1N1CCCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001606335425 1404795351 /nfs/dbraw/zinc/79/53/51/1404795351.db2.gz GASJBNFHROHOES-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM Fc1ccccc1N1CCCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001606335425 1404795356 /nfs/dbraw/zinc/79/53/56/1404795356.db2.gz GASJBNFHROHOES-UHFFFAOYSA-N -1 1 339.378 2.118 20 0 EEADMM CC(C)=C(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001757299038 1409641993 /nfs/dbraw/zinc/64/19/93/1409641993.db2.gz FSUHGYXPDAKIEY-AWEZNQCLSA-N -1 1 331.416 2.207 20 0 EEADMM CC(C)=CC(=O)N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC001757492393 1409742288 /nfs/dbraw/zinc/74/22/88/1409742288.db2.gz YIKZMFIZTLOIES-AWEZNQCLSA-N -1 1 331.416 2.254 20 0 EEADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000322634929 1409863890 /nfs/dbraw/zinc/86/38/90/1409863890.db2.gz SBUPPAGFAHYFAU-UHFFFAOYSA-N -1 1 334.328 2.285 20 0 EEADMM C[C@@H]1CN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)[C@@H](C)[C@H]1C ZINC001772172653 1410076296 /nfs/dbraw/zinc/07/62/96/1410076296.db2.gz HGPXIQZOKDKCEX-VWYCJHECSA-N -1 1 328.420 2.336 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)c1cccc(Cl)c1 ZINC000942381797 782334261 /nfs/dbraw/zinc/33/42/61/782334261.db2.gz DMBGCZDTVIHVNQ-CYBMUJFWSA-N -1 1 345.786 2.085 20 0 EEADMM Cc1ccc2sc(CNCCNC(=O)c3ncccc3O)nc2c1 ZINC001126125384 770024752 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788874617 /nfs/dbraw/zinc/87/46/17/788874617.db2.gz KMMLQNZTOVYHDL-INIZCTEOSA-N -1 1 334.383 2.300 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CC(C)(C)C2CC2)C1 ZINC001005949588 788984104 /nfs/dbraw/zinc/98/41/04/788984104.db2.gz HFQJKKAKQCJOBX-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CCC(C)(CC)C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005961091 789024481 /nfs/dbraw/zinc/02/44/81/789024481.db2.gz YENDYEDXVYFUKL-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403742 789071812 /nfs/dbraw/zinc/07/18/12/789071812.db2.gz XWBLREAGFQGOCX-VXGBXAGGSA-N -1 1 339.440 2.026 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc(F)c2)o1 ZINC000056284127 789366016 /nfs/dbraw/zinc/36/60/16/789366016.db2.gz LTVZGNFUUPRVFU-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM [O-]c1cc(F)c(CN2CCN(c3nccnc3Cl)CC2)c(F)c1 ZINC001144541764 789925723 /nfs/dbraw/zinc/92/57/23/789925723.db2.gz KVSYZELYTKQQQB-UHFFFAOYSA-N -1 1 340.761 2.436 20 0 EEADMM CCC[C@@H](CC)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840489 789932613 /nfs/dbraw/zinc/93/26/13/789932613.db2.gz GMBWKEALLXKQNW-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)(C)CCC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840311 789940165 /nfs/dbraw/zinc/94/01/65/789940165.db2.gz XMRQSSZCPMENDT-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(c1ccccn1)N1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144567584 789948669 /nfs/dbraw/zinc/94/86/69/789948669.db2.gz SBZDYIFDWPMQKG-UHFFFAOYSA-N -1 1 333.338 2.023 20 0 EEADMM COc1cc(N2CCN(Cc3cc(F)c([O-])cc3F)CC2)ccn1 ZINC001144663480 790019574 /nfs/dbraw/zinc/01/95/74/790019574.db2.gz DSEZZLUBCQEJJV-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM [O-]c1cc(F)c(CN2CCn3c(Br)nnc3C2)cc1F ZINC001144667107 790020520 /nfs/dbraw/zinc/02/05/20/790020520.db2.gz SNBFPIXELDLVBW-UHFFFAOYSA-N -1 1 345.147 2.040 20 0 EEADMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000846009808 790021238 /nfs/dbraw/zinc/02/12/38/790021238.db2.gz 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EEADMM Cc1ncc(CO)c(C(=O)N2CC[C@@H]2COCc2ccccc2)c1[O-] ZINC001147838680 791995446 /nfs/dbraw/zinc/99/54/46/791995446.db2.gz WVRPLYUIFPFTPY-MRXNPFEDSA-N -1 1 342.395 2.019 20 0 EEADMM Cc1ncc(CO)c(C(=O)N(C)[C@@H](C2CCC2)C(F)(F)F)c1[O-] ZINC001147838737 791996089 /nfs/dbraw/zinc/99/60/89/791996089.db2.gz YNBNEBQOHIHKJN-ZDUSSCGKSA-N -1 1 332.322 2.391 20 0 EEADMM Cc1cccnc1[C@@H](NC(=O)c1c(CO)cnc(C)c1[O-])C1CC1 ZINC001147844711 792001554 /nfs/dbraw/zinc/00/15/54/792001554.db2.gz WHJBJHJEKFTLPL-INIZCTEOSA-N -1 1 327.384 2.172 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@](O)(CF)CC3)cc2)[n-]1 ZINC001148329795 792341782 /nfs/dbraw/zinc/34/17/82/792341782.db2.gz XADGHWDYHVUJPU-GOSISDBHSA-N -1 1 347.390 2.126 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCCO[C@@H]3CCCCO3)cc2)[n-]1 ZINC001148339835 792348262 /nfs/dbraw/zinc/34/82/62/792348262.db2.gz HGFASHHZEFWFQN-QGZVFWFLSA-N -1 1 345.399 2.072 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3cccc4ccnn43)cc2)[n-]1 ZINC001148341340 792352592 /nfs/dbraw/zinc/35/25/92/792352592.db2.gz YUWZVJBCQYGPGA-UHFFFAOYSA-N -1 1 347.378 2.377 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCCC3CCC(O)CC3)cc2)[n-]1 ZINC001148341266 792352812 /nfs/dbraw/zinc/35/28/12/792352812.db2.gz WJHZCYAHLPCESS-UHFFFAOYSA-N -1 1 343.427 2.470 20 0 EEADMM O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cccc(-c2ccccc2)c1[O-] ZINC001148869231 792756953 /nfs/dbraw/zinc/75/69/53/792756953.db2.gz GIQZMKLPKBLXBS-CYBMUJFWSA-N -1 1 329.377 2.100 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1ccc(C)nn1 ZINC001064395300 793024358 /nfs/dbraw/zinc/02/43/58/793024358.db2.gz IZSVJWJTXFVNFX-ZIAGYGMSSA-N -1 1 341.415 2.238 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nc(C)ns1 ZINC001064395163 793024378 /nfs/dbraw/zinc/02/43/78/793024378.db2.gz GVORULVXFWFHSP-RYUDHWBXSA-N -1 1 347.444 2.300 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064421312 793123399 /nfs/dbraw/zinc/12/33/99/793123399.db2.gz YUWYTSPBHKIGIN-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H]1C[C@H](Nc2cncc(Cl)n2)CCN1C(=O)c1ncccc1[O-] ZINC001064764777 793689583 /nfs/dbraw/zinc/68/95/83/793689583.db2.gz BNKGUGGXFYBJMB-GHMZBOCLSA-N -1 1 347.806 2.336 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000913655513 794034763 /nfs/dbraw/zinc/03/47/63/794034763.db2.gz SVMMCGUQGHSAKP-JKSUJKDBSA-N -1 1 339.395 2.398 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(c2cncc(Cl)n2)CC1 ZINC001065077165 794185887 /nfs/dbraw/zinc/18/58/87/794185887.db2.gz ULUQLDHVXNUYAR-UHFFFAOYSA-N -1 1 347.806 2.020 20 0 EEADMM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743934 794206839 /nfs/dbraw/zinc/20/68/39/794206839.db2.gz SCTMGGGKDAVQNZ-LBPRGKRZSA-N -1 1 331.395 2.314 20 0 EEADMM CC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](O)c1ccccc1 ZINC000913811766 794323459 /nfs/dbraw/zinc/32/34/59/794323459.db2.gz MDEWVZLOBADISL-HUUCEWRRSA-N -1 1 327.384 2.302 20 0 EEADMM O=C(NCC1(Nc2ncc(F)cn2)CCCCC1)c1ncccc1[O-] ZINC001093387059 795133108 /nfs/dbraw/zinc/13/31/08/795133108.db2.gz 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/nfs/dbraw/zinc/86/04/28/797860428.db2.gz NKBUHYRLTBDKOY-UHFFFAOYSA-N -1 1 325.365 2.391 20 0 EEADMM O=C([O-])c1ccc(Nc2ccc(N3CCN(CCO)CC3)cc2)s1 ZINC001174811061 797897700 /nfs/dbraw/zinc/89/77/00/797897700.db2.gz WDQRAIFHRZXICA-UHFFFAOYSA-N -1 1 347.440 2.304 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)cc1N ZINC001175352407 798084944 /nfs/dbraw/zinc/08/49/44/798084944.db2.gz OPCITXXKNWOMFH-UHFFFAOYSA-N -1 1 332.429 2.373 20 0 EEADMM CC(C)[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C(=O)[O-] ZINC000780692980 798090158 /nfs/dbraw/zinc/09/01/58/798090158.db2.gz XJFPALYJHCIKRT-CZUORRHYSA-N -1 1 348.447 2.015 20 0 EEADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cnn(Cc2cccnc2)c1 ZINC001176454292 798462249 /nfs/dbraw/zinc/46/22/49/798462249.db2.gz MIEODZCFSRFASV-UHFFFAOYSA-N -1 1 329.345 2.252 20 0 EEADMM CC(=O)c1ccc(Oc2ccc(NC(=O)Cc3nn[n-]n3)cc2)cc1 ZINC001176845560 798618392 /nfs/dbraw/zinc/61/83/92/798618392.db2.gz VWEROQUNTAABSD-UHFFFAOYSA-N -1 1 337.339 2.376 20 0 EEADMM O=C(C=Cc1cc2ccccc2o1)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001178760834 799612825 /nfs/dbraw/zinc/61/28/25/799612825.db2.gz ZYHCASDCMQIPEF-AATRIKPKSA-N -1 1 337.295 2.114 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001178797804 799625432 /nfs/dbraw/zinc/62/54/32/799625432.db2.gz SEBCYSICFYOARU-LBPRGKRZSA-N -1 1 328.328 2.043 20 0 EEADMM CCC(CC)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065882674 799692485 /nfs/dbraw/zinc/69/24/85/799692485.db2.gz YLZLPIUESVSJGZ-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CC12CCOCC2 ZINC000786460871 806790889 /nfs/dbraw/zinc/79/08/89/806790889.db2.gz XNWXWWQSAOFURL-CQSZACIVSA-N -1 1 330.336 2.359 20 0 EEADMM CC[C@@H](C)CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066089418 799983916 /nfs/dbraw/zinc/98/39/16/799983916.db2.gz NYTLMFZRAWPGIK-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CCCCC[C@@H](CC)C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001180187242 800292696 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C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004751312 802761015 /nfs/dbraw/zinc/76/10/15/802761015.db2.gz MDKRXSBKBHUMIH-NEPJUHHUSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001004769169 802864617 /nfs/dbraw/zinc/86/46/17/802864617.db2.gz CTDGUCXIIBQGDF-HIFRSBDPSA-N -1 1 347.463 2.260 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001066519723 802888960 /nfs/dbraw/zinc/88/89/60/802888960.db2.gz YTQDRETXJSIVFR-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)(CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccccc1 ZINC000788150819 807397513 /nfs/dbraw/zinc/39/75/13/807397513.db2.gz XPJQISPCCGVMEX-ZDUSSCGKSA-N -1 1 331.445 2.184 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=S)NC(C)C)c2)n1 ZINC000788334307 807480403 /nfs/dbraw/zinc/48/04/03/807480403.db2.gz VADFTHZWAQDWMK-UHFFFAOYSA-N -1 1 347.444 2.021 20 0 EEADMM Cc1cc(N[C@@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001112982711 807785609 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2.033 20 0 EEADMM Cc1nc(S[C@H](C)C(=O)NCC(=O)c2ccccc2)[n-]c(=O)c1C ZINC000346743262 161398179 /nfs/dbraw/zinc/39/81/79/161398179.db2.gz HMQDOWPPCAJFCY-GFCCVEGCSA-N -1 1 345.424 2.279 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1 ZINC000352111148 162071620 /nfs/dbraw/zinc/07/16/20/162071620.db2.gz WIWSJHVNHROGPE-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM C[C@@H](CO)CNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000355232016 163117023 /nfs/dbraw/zinc/11/70/23/163117023.db2.gz RHVPQICDZLYRDE-MRVPVSSYSA-N -1 1 339.189 2.061 20 0 EEADMM C[C@H](O)CCNC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000355234403 163117713 /nfs/dbraw/zinc/11/77/13/163117713.db2.gz VCOASQPCOPUKLY-QMMMGPOBSA-N -1 1 339.189 2.204 20 0 EEADMM COc1cc(O)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000355821691 163312992 /nfs/dbraw/zinc/31/29/92/163312992.db2.gz SXNHOKDXTWUSCX-UHFFFAOYSA-N -1 1 346.364 2.043 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CCC1=O ZINC000358892297 164010382 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CCOc1ccc(OCCCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000274827102 269058900 /nfs/dbraw/zinc/05/89/00/269058900.db2.gz YLCBBFBGUDGSCB-ZDUSSCGKSA-N -1 1 347.419 2.020 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])CC[S@@]1=O ZINC000277196640 269142556 /nfs/dbraw/zinc/14/25/56/269142556.db2.gz CCZJUKRUYNDOSV-HOGDKLEQSA-N -1 1 346.246 2.138 20 0 EEADMM Cc1noc(CCCSc2nc([O-])cc(=O)n2C2CCCC2)n1 ZINC000277838313 269189352 /nfs/dbraw/zinc/18/93/52/269189352.db2.gz ZFDMGPIQLPEINO-UHFFFAOYSA-N -1 1 336.417 2.480 20 0 EEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000277887429 269194438 /nfs/dbraw/zinc/19/44/38/269194438.db2.gz FDKUQBVMKRTNHX-BXUZGUMPSA-N -1 1 335.404 2.163 20 0 EEADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)n1nnnc1C(C)(C)C ZINC000278154073 269211403 /nfs/dbraw/zinc/21/14/03/269211403.db2.gz MISUSZRVGVFCLI-MRVPVSSYSA-N -1 1 332.339 2.475 20 0 EEADMM COC(=O)c1cnc(S[C@H](C)C(=O)NCCc2cccs2)[n-]1 ZINC000283773601 269553769 /nfs/dbraw/zinc/55/37/69/269553769.db2.gz 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HTTRYQSPNWMWTA-CJNGLKHVSA-N -1 1 335.787 2.260 20 0 EEADMM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cnco1 ZINC000758817236 577631754 /nfs/dbraw/zinc/63/17/54/577631754.db2.gz QFNRDWRAKDKHJY-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759067081 577636555 /nfs/dbraw/zinc/63/65/55/577636555.db2.gz OOTJKMAVKZLUJL-BDAKNGLRSA-N -1 1 338.223 2.136 20 0 EEADMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000759067093 577636562 /nfs/dbraw/zinc/63/65/62/577636562.db2.gz OOTJKMAVKZLUJL-RKDXNWHRSA-N -1 1 338.223 2.136 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000754038718 577799028 /nfs/dbraw/zinc/79/90/28/577799028.db2.gz WRFJKXOSKNBQGV-LLVKDONJSA-N -1 1 342.189 2.226 20 0 EEADMM CCCc1ccc(COC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000756392215 577843256 /nfs/dbraw/zinc/84/32/56/577843256.db2.gz XMLZDNNPSMLBSR-UHFFFAOYSA-N -1 1 337.397 2.497 20 0 EEADMM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC000741299924 578116528 /nfs/dbraw/zinc/11/65/28/578116528.db2.gz QBHKZILFWNIZBQ-KGLIPLIRSA-N -1 1 339.819 2.438 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000735627111 578161449 /nfs/dbraw/zinc/16/14/49/578161449.db2.gz MWLWGJMCJUVSKH-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000735627111 578161450 /nfs/dbraw/zinc/16/14/50/578161450.db2.gz MWLWGJMCJUVSKH-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735923640 578174083 /nfs/dbraw/zinc/17/40/83/578174083.db2.gz NUCKSTNCTBLNSW-OLZOCXBDSA-N -1 1 337.387 2.213 20 0 EEADMM C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C1 ZINC000736229780 578188601 /nfs/dbraw/zinc/18/86/01/578188601.db2.gz RXKMXICBMFXVLB-UWVGGRQHSA-N -1 1 334.811 2.189 20 0 EEADMM COc1ccc(-c2csc(NC(=O)CNC(C)(C)C(=O)[O-])n2)cc1 ZINC000737910862 578203885 /nfs/dbraw/zinc/20/38/85/578203885.db2.gz FGALSSGTQYGSQU-UHFFFAOYSA-N -1 1 349.412 2.210 20 0 EEADMM C[NH+](C)CC(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736762601 578222230 /nfs/dbraw/zinc/22/22/30/578222230.db2.gz JJMLHTPKDBRBCN-UHFFFAOYSA-N -1 1 338.371 2.159 20 0 EEADMM CN(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000736800702 578224430 /nfs/dbraw/zinc/22/44/30/578224430.db2.gz NXXNEKARTXGOSO-UHFFFAOYSA-N -1 1 329.795 2.463 20 0 EEADMM CN(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000736800702 578224431 /nfs/dbraw/zinc/22/44/31/578224431.db2.gz NXXNEKARTXGOSO-UHFFFAOYSA-N -1 1 329.795 2.463 20 0 EEADMM CN(CCCNc1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC000736800123 578224440 /nfs/dbraw/zinc/22/44/40/578224440.db2.gz JBVCYXBOSVBPOO-UHFFFAOYSA-N -1 1 327.367 2.339 20 0 EEADMM CN(CCCNc1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC000736800123 578224441 /nfs/dbraw/zinc/22/44/41/578224441.db2.gz JBVCYXBOSVBPOO-UHFFFAOYSA-N -1 1 327.367 2.339 20 0 EEADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737073336 578236455 /nfs/dbraw/zinc/23/64/55/578236455.db2.gz BJFSRSWTVQJSDC-NSHDSACASA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737073336 578236456 /nfs/dbraw/zinc/23/64/56/578236456.db2.gz BJFSRSWTVQJSDC-NSHDSACASA-N -1 1 338.371 2.070 20 0 EEADMM CCN1CCN(C2CCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)C1=O ZINC000737115543 578239035 /nfs/dbraw/zinc/23/90/35/578239035.db2.gz MHXZRCWKQVNGGA-UHFFFAOYSA-N -1 1 335.404 2.008 20 0 EEADMM COc1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737130979 578239780 /nfs/dbraw/zinc/23/97/80/578239780.db2.gz KRMLNUDWGGWZGU-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737130979 578239781 /nfs/dbraw/zinc/23/97/81/578239781.db2.gz KRMLNUDWGGWZGU-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM CCOC[C@@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737164602 578241625 /nfs/dbraw/zinc/24/16/25/578241625.db2.gz WWKWOCLIMZYPQO-OAHLLOKOSA-N -1 1 349.431 2.141 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737357549 578252283 /nfs/dbraw/zinc/25/22/83/578252283.db2.gz CNQPUORVYSPINV-QGZVFWFLSA-N -1 1 326.396 2.425 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000737358004 578252378 /nfs/dbraw/zinc/25/23/78/578252378.db2.gz GWUSVIGVVNBLGF-KRWDZBQOSA-N -1 1 326.396 2.174 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737396808 578254948 /nfs/dbraw/zinc/25/49/48/578254948.db2.gz RVDXFTVQYKFJAR-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737396808 578254949 /nfs/dbraw/zinc/25/49/49/578254949.db2.gz RVDXFTVQYKFJAR-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cc1ccccc1-c1nnc(Sc2nccnc2-c2nn[n-]n2)o1 ZINC000737418287 578256329 /nfs/dbraw/zinc/25/63/29/578256329.db2.gz OUJCXXNMDWSUBB-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1oc(NC(=O)COC(=O)CCC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000737550572 578263873 /nfs/dbraw/zinc/26/38/73/578263873.db2.gz AQEMVSOTAHJYSR-UHFFFAOYSA-N -1 1 349.391 2.385 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026405 578277023 /nfs/dbraw/zinc/27/70/23/578277023.db2.gz RFIMNXAHCQHWDJ-ZJUUUORDSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026405 578277024 /nfs/dbraw/zinc/27/70/24/578277024.db2.gz RFIMNXAHCQHWDJ-ZJUUUORDSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@H]1CCCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738027320 578277055 /nfs/dbraw/zinc/27/70/55/578277055.db2.gz ZUDBLLJSQDEYKL-HNNXBMFYSA-N -1 1 334.383 2.459 20 0 EEADMM O=C(N[C@H]1CCCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738027320 578277056 /nfs/dbraw/zinc/27/70/56/578277056.db2.gz ZUDBLLJSQDEYKL-HNNXBMFYSA-N -1 1 334.383 2.459 20 0 EEADMM CCO[C@H](C)c1nc(CN(C)c2cccc(-c3nnn[n-]3)n2)cs1 ZINC000821347515 599071708 /nfs/dbraw/zinc/07/17/08/599071708.db2.gz WROYHYIGYCROSP-SNVBAGLBSA-N -1 1 345.432 2.452 20 0 EEADMM CCO[C@H](C)c1nc(CN(C)c2cccc(-c3nn[n-]n3)n2)cs1 ZINC000821347515 599071710 /nfs/dbraw/zinc/07/17/10/599071710.db2.gz WROYHYIGYCROSP-SNVBAGLBSA-N -1 1 345.432 2.452 20 0 EEADMM CCc1cnc(CNc2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000821499677 599083487 /nfs/dbraw/zinc/08/34/87/599083487.db2.gz OQUOPHXRGATIHZ-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCc1cnc(CNc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000821499677 599083491 /nfs/dbraw/zinc/08/34/91/599083491.db2.gz OQUOPHXRGATIHZ-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccsc1 ZINC000818374256 597056131 /nfs/dbraw/zinc/05/61/31/597056131.db2.gz JDFGZYUWVIKJPQ-TZMCWYRMSA-N -1 1 339.461 2.247 20 0 EEADMM O=C([O-])C1CCN(C[C@@H](O)c2ccccc2Br)CC1 ZINC000821511074 597375084 /nfs/dbraw/zinc/37/50/84/597375084.db2.gz BQHBNCZEUFTKAG-CYBMUJFWSA-N -1 1 328.206 2.279 20 0 EEADMM Cc1cccc2nc(CNC(=O)NC3CCC(C(=O)[O-])CC3)[nH]c21 ZINC000821116781 598140813 /nfs/dbraw/zinc/14/08/13/598140813.db2.gz PXNZHERILNTPQO-UHFFFAOYSA-N -1 1 330.388 2.314 20 0 EEADMM CC(C)[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000820041809 598189193 /nfs/dbraw/zinc/18/91/93/598189193.db2.gz SJUVWOFSDAWXTM-GFCCVEGCSA-N -1 1 334.294 2.223 20 0 EEADMM Cc1ccc(C)c(OCCn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000822232213 607349631 /nfs/dbraw/zinc/34/96/31/607349631.db2.gz XIDKDKCGMVGEQR-UHFFFAOYSA-N -1 1 325.372 2.033 20 0 EEADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547700 599310020 /nfs/dbraw/zinc/31/00/20/599310020.db2.gz NNUOJLHCRLBDBW-JYRVWZFOSA-N -1 1 346.306 2.286 20 0 EEADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547700 599310022 /nfs/dbraw/zinc/31/00/22/599310022.db2.gz NNUOJLHCRLBDBW-JYRVWZFOSA-N -1 1 346.306 2.286 20 0 EEADMM Cc1cc(C)n(C2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)n1 ZINC000822197780 599542008 /nfs/dbraw/zinc/54/20/08/599542008.db2.gz PCGXSUIHUNWUKM-UHFFFAOYSA-N -1 1 346.398 2.290 20 0 EEADMM Cc1cc(C)n(C2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)n1 ZINC000822197780 599542009 /nfs/dbraw/zinc/54/20/09/599542009.db2.gz PCGXSUIHUNWUKM-UHFFFAOYSA-N -1 1 346.398 2.290 20 0 EEADMM O=C(OCc1cccc2c[nH]nc21)c1sccc1-c1nn[n-]n1 ZINC000823430786 599684900 /nfs/dbraw/zinc/68/49/00/599684900.db2.gz JMFFGGPOQWYXON-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM CCN(C(C)=O)c1nc(CNC2CCC(C(=O)[O-])CC2)cs1 ZINC000386015302 600639548 /nfs/dbraw/zinc/63/95/48/600639548.db2.gz OPVHEFYJRZKSNJ-UHFFFAOYSA-N -1 1 325.434 2.249 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1OC ZINC000831892636 600970801 /nfs/dbraw/zinc/97/08/01/600970801.db2.gz VCNSRQMAZNZOKQ-PHIMTYICSA-N -1 1 336.388 2.213 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CNC1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC000828720339 600994443 /nfs/dbraw/zinc/99/44/43/600994443.db2.gz WHBGEHDPGNZIBY-WBMJQRKESA-N -1 1 336.407 2.410 20 0 EEADMM CCc1cc2c(C[NH2+][C@](C)(C(=O)[O-])C3CC3)cc(=O)oc2cc1[O-] ZINC000830224517 601035368 /nfs/dbraw/zinc/03/53/68/601035368.db2.gz PEJLWQDDPKXHTJ-SFHVURJKSA-N -1 1 331.368 2.404 20 0 EEADMM C/C(=C\C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000825716774 601091443 /nfs/dbraw/zinc/09/14/43/601091443.db2.gz OGQAXNBTMFQGQH-YPDDLIOESA-N -1 1 334.391 2.236 20 0 EEADMM Cc1ccc2nc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)[nH]c2c1 ZINC000832959662 601106728 /nfs/dbraw/zinc/10/67/28/601106728.db2.gz XNLJGIMIWMOJNI-UHFFFAOYSA-N -1 1 339.351 2.265 20 0 EEADMM COc1c(C)ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1C ZINC000831847736 601128187 /nfs/dbraw/zinc/12/81/87/601128187.db2.gz SCHPXSWVWOHIEO-ZDUSSCGKSA-N -1 1 349.431 2.325 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ccn1 ZINC000323493247 601242725 /nfs/dbraw/zinc/24/27/25/601242725.db2.gz SPTHUEVVBFLLMA-UHFFFAOYSA-N -1 1 339.395 2.128 20 0 EEADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000832124580 601321154 /nfs/dbraw/zinc/32/11/54/601321154.db2.gz UOOMGUOAKJKVDF-UHFFFAOYSA-N -1 1 340.339 2.374 20 0 EEADMM COc1ccc2c(c1)N(Cc1ccnc(-c3nnn[n-]3)c1)C[C@H](C)O2 ZINC000826213109 607506332 /nfs/dbraw/zinc/50/63/32/607506332.db2.gz LHIRNSYHGHRGPE-NSHDSACASA-N -1 1 338.371 2.058 20 0 EEADMM COc1ccc2c(c1)N(Cc1ccnc(-c3nn[n-]n3)c1)C[C@H](C)O2 ZINC000826213109 607506334 /nfs/dbraw/zinc/50/63/34/607506334.db2.gz LHIRNSYHGHRGPE-NSHDSACASA-N -1 1 338.371 2.058 20 0 EEADMM CCC1CCC(NCC(=O)NCc2ccccc2OC)(C(=O)[O-])CC1 ZINC000829101642 601495748 /nfs/dbraw/zinc/49/57/48/601495748.db2.gz TZKGFXYESWWVNF-UHFFFAOYSA-N -1 1 348.443 2.325 20 0 EEADMM CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829125977 601498102 /nfs/dbraw/zinc/49/81/02/601498102.db2.gz RMSIPXSGCGUDHW-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(CN1CCS[C@H]2CCCC[C@H]21)NC1(C(=O)[O-])CCCCC1 ZINC000833109130 601612851 /nfs/dbraw/zinc/61/28/51/601612851.db2.gz IDXBGRUHPNLCED-KGLIPLIRSA-N -1 1 340.489 2.250 20 0 EEADMM CCOCCN1CCN(Cc2cc(C(=O)[O-])sc2C)C[C@@H]1C ZINC000830011331 601630575 /nfs/dbraw/zinc/63/05/75/601630575.db2.gz DOVOIPRNCWTVKD-LBPRGKRZSA-N -1 1 326.462 2.297 20 0 EEADMM C[C@@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)C[C@H]1C(=O)[O-] ZINC000828462487 601820512 /nfs/dbraw/zinc/82/05/12/601820512.db2.gz KCBPYFBRXIHLRT-DGCLKSJQSA-N -1 1 338.477 2.300 20 0 EEADMM CC(C)[C@H](NCC(=O)Nc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC000817977534 601825619 /nfs/dbraw/zinc/82/56/19/601825619.db2.gz JWMSDKWYVRVSIK-LBPRGKRZSA-N -1 1 325.365 2.073 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000832000266 601942766 /nfs/dbraw/zinc/94/27/66/601942766.db2.gz LIEIYJQSHVLZMZ-MRXNPFEDSA-N -1 1 340.807 2.392 20 0 EEADMM CCCCC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825267569 607583577 /nfs/dbraw/zinc/58/35/77/607583577.db2.gz KVHVHGDHSUNYSS-SNVBAGLBSA-N -1 1 341.412 2.253 20 0 EEADMM CCCCC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825267569 607583578 /nfs/dbraw/zinc/58/35/78/607583578.db2.gz KVHVHGDHSUNYSS-SNVBAGLBSA-N -1 1 341.412 2.253 20 0 EEADMM COc1ccc(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)cc1Cl ZINC000832393614 604481308 /nfs/dbraw/zinc/48/13/08/604481308.db2.gz DCTHTFDMWQMBQF-OAHLLOKOSA-N -1 1 344.770 2.176 20 0 EEADMM CCN(CC)c1ncc(CN2CCSC[C@H]2CC(=O)[O-])s1 ZINC000833654595 604658603 /nfs/dbraw/zinc/65/86/03/604658603.db2.gz WRDREYIYOGXUBJ-LLVKDONJSA-N -1 1 329.491 2.381 20 0 EEADMM C[C@@H](C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C1CC1)C(=O)[O-] ZINC000827450083 604745475 /nfs/dbraw/zinc/74/54/75/604745475.db2.gz RKEUOGDWEJTINY-SCLBCKFNSA-N -1 1 330.428 2.439 20 0 EEADMM CCCCCC[C@]1(C)NC(=O)N(CN2CCC[C@@H]2CC(=O)[O-])C1=O ZINC000829356374 604981745 /nfs/dbraw/zinc/98/17/45/604981745.db2.gz CCXRWIRQIPMCTH-DYVFJYSZSA-N -1 1 339.436 2.164 20 0 EEADMM COc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(OC)c1OC ZINC000832342773 604994953 /nfs/dbraw/zinc/99/49/53/604994953.db2.gz YAMLDVZQMZNEHX-AWEZNQCLSA-N -1 1 332.356 2.023 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\SCc1ccco1 ZINC000833618509 605101986 /nfs/dbraw/zinc/10/19/86/605101986.db2.gz BSVGJPPLUIAEHU-OMPYUXFZSA-N -1 1 338.429 2.034 20 0 EEADMM C[C@@H]1CN(C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000833625393 605173389 /nfs/dbraw/zinc/17/33/89/605173389.db2.gz WPOGWTSXRWYGJT-CABCVRRESA-N -1 1 347.459 2.402 20 0 EEADMM C[C@@H]1CN(C(=O)[C@]2(C)CCCc3ccccc32)CCN1CCC(=O)[O-] ZINC000833618819 605276820 /nfs/dbraw/zinc/27/68/20/605276820.db2.gz QZPNDJIUWMLNON-FOIQADDNSA-N -1 1 344.455 2.288 20 0 EEADMM O=C(OCc1nc2ccccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000823440189 606135039 /nfs/dbraw/zinc/13/50/39/606135039.db2.gz HBMLMGAJUHRVSS-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(OCc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000823440189 606135040 /nfs/dbraw/zinc/13/50/40/606135040.db2.gz HBMLMGAJUHRVSS-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820706378 606195651 /nfs/dbraw/zinc/19/56/51/606195651.db2.gz ZHUGPQVQKJERMG-QMTHXVAHSA-N -1 1 331.376 2.106 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCOC(=O)c2ccccc2)n1 ZINC000822427336 606333307 /nfs/dbraw/zinc/33/33/07/606333307.db2.gz JXTZTAAHXTYGGH-UHFFFAOYSA-N -1 1 342.384 2.180 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H]1c1cccnc1 ZINC000823483186 606499595 /nfs/dbraw/zinc/49/95/95/606499595.db2.gz FAPWKHZLZUPRKJ-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H]1c1cccnc1 ZINC000823483186 606499596 /nfs/dbraw/zinc/49/95/96/606499596.db2.gz FAPWKHZLZUPRKJ-LLVKDONJSA-N -1 1 326.385 2.301 20 0 EEADMM CN(CCCOc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821600391 606508590 /nfs/dbraw/zinc/50/85/90/606508590.db2.gz KOHXFYJBOVUFKX-UHFFFAOYSA-N -1 1 343.412 2.469 20 0 EEADMM CN(CCCOc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821600391 606508591 /nfs/dbraw/zinc/50/85/91/606508591.db2.gz KOHXFYJBOVUFKX-UHFFFAOYSA-N -1 1 343.412 2.469 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccncc1)C1CC1 ZINC000823483646 606532168 /nfs/dbraw/zinc/53/21/68/606532168.db2.gz KMOLCVSKOIJHIM-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccncc1)C1CC1 ZINC000823483646 606532170 /nfs/dbraw/zinc/53/21/70/606532170.db2.gz KMOLCVSKOIJHIM-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)n[nH]c1C(F)(F)F ZINC000822021070 606539917 /nfs/dbraw/zinc/53/99/17/606539917.db2.gz UQKXNWXJZHIQLI-UHFFFAOYSA-N -1 1 343.294 2.231 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)n[nH]c1C(F)(F)F ZINC000822021070 606539919 /nfs/dbraw/zinc/53/99/19/606539919.db2.gz UQKXNWXJZHIQLI-UHFFFAOYSA-N -1 1 343.294 2.231 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000820202354 606545515 /nfs/dbraw/zinc/54/55/15/606545515.db2.gz HELOGBIZXOVMLW-UHFFFAOYSA-N -1 1 348.457 2.481 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000820202354 606545516 /nfs/dbraw/zinc/54/55/16/606545516.db2.gz HELOGBIZXOVMLW-UHFFFAOYSA-N -1 1 348.457 2.481 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1F ZINC000823436427 606652424 /nfs/dbraw/zinc/65/24/24/606652424.db2.gz VEMDEFNAEPLKCV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1F ZINC000823436427 606652425 /nfs/dbraw/zinc/65/24/25/606652425.db2.gz VEMDEFNAEPLKCV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC1CCC1 ZINC000822540517 606689979 /nfs/dbraw/zinc/68/99/79/606689979.db2.gz CTUPKHZINNPJCE-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC1CCC1 ZINC000822540517 606689980 /nfs/dbraw/zinc/68/99/80/606689980.db2.gz CTUPKHZINNPJCE-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM COc1ccc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1F ZINC000821791002 607023327 /nfs/dbraw/zinc/02/33/27/607023327.db2.gz YWCVMLNZPFQZAU-UHFFFAOYSA-N -1 1 348.363 2.042 20 0 EEADMM COc1ccc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1F ZINC000821791002 607023328 /nfs/dbraw/zinc/02/33/28/607023328.db2.gz YWCVMLNZPFQZAU-UHFFFAOYSA-N -1 1 348.363 2.042 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822198009 607023370 /nfs/dbraw/zinc/02/33/70/607023370.db2.gz YRDPYXOMKKKMJQ-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822198009 607023371 /nfs/dbraw/zinc/02/33/71/607023371.db2.gz YRDPYXOMKKKMJQ-UHFFFAOYSA-N -1 1 344.400 2.348 20 0 EEADMM C[C@H](Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824457043 607829584 /nfs/dbraw/zinc/82/95/84/607829584.db2.gz CXRBRBWZOGUOOC-SECBINFHSA-N -1 1 345.794 2.071 20 0 EEADMM C[C@H](Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824457043 607829585 /nfs/dbraw/zinc/82/95/85/607829585.db2.gz CXRBRBWZOGUOOC-SECBINFHSA-N -1 1 345.794 2.071 20 0 EEADMM C[C@@H]1COCCN1c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000825006768 607899887 /nfs/dbraw/zinc/89/98/87/607899887.db2.gz PMHXDZBKMQIPER-GFCCVEGCSA-N -1 1 337.387 2.230 20 0 EEADMM C[C@@H]1COCCN1c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000825006768 607899888 /nfs/dbraw/zinc/89/98/88/607899888.db2.gz PMHXDZBKMQIPER-GFCCVEGCSA-N -1 1 337.387 2.230 20 0 EEADMM O=C(OCc1cnc(Cl)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826467910 608029349 /nfs/dbraw/zinc/02/93/49/608029349.db2.gz QVZDCVIDRHJGCV-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM O=C(OCc1cnc(Cl)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826467910 608029350 /nfs/dbraw/zinc/02/93/50/608029350.db2.gz QVZDCVIDRHJGCV-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM O=C1CCCN1c1ccc(F)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826480870 608112661 /nfs/dbraw/zinc/11/26/61/608112661.db2.gz VIKGQBCXVXQJPS-UHFFFAOYSA-N -1 1 342.334 2.338 20 0 EEADMM O=C1CCCN1c1ccc(F)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826480870 608112662 /nfs/dbraw/zinc/11/26/62/608112662.db2.gz VIKGQBCXVXQJPS-UHFFFAOYSA-N -1 1 342.334 2.338 20 0 EEADMM O[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506263 608193275 /nfs/dbraw/zinc/19/32/75/608193275.db2.gz QAALSNUIVJXQDN-CQSZACIVSA-N -1 1 348.819 2.223 20 0 EEADMM O[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCc2ccccc21 ZINC000826506263 608193276 /nfs/dbraw/zinc/19/32/76/608193276.db2.gz QAALSNUIVJXQDN-CQSZACIVSA-N -1 1 348.819 2.223 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825192775 608279979 /nfs/dbraw/zinc/27/99/79/608279979.db2.gz IDQVIOSEZXYDJA-RKDXNWHRSA-N -1 1 348.432 2.092 20 0 EEADMM CC(C)Oc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824324750 608395981 /nfs/dbraw/zinc/39/59/81/608395981.db2.gz UHJDBYWDSCSQJG-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM CC(C)Oc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824324750 608395982 /nfs/dbraw/zinc/39/59/82/608395982.db2.gz UHJDBYWDSCSQJG-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)c(OCC2CC2)c1 ZINC000826288830 608430293 /nfs/dbraw/zinc/43/02/93/608430293.db2.gz YIVHGQGYXUSCDL-UHFFFAOYSA-N -1 1 337.387 2.366 20 0 EEADMM Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)c(OCC2CC2)c1 ZINC000826288830 608430295 /nfs/dbraw/zinc/43/02/95/608430295.db2.gz YIVHGQGYXUSCDL-UHFFFAOYSA-N -1 1 337.387 2.366 20 0 EEADMM Clc1ccccc1C1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826353592 608439436 /nfs/dbraw/zinc/43/94/36/608439436.db2.gz WGXAIVLFUICLAP-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccccc1C1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826353592 608439438 /nfs/dbraw/zinc/43/94/38/608439438.db2.gz WGXAIVLFUICLAP-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM CCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825300968 609363686 /nfs/dbraw/zinc/36/36/86/609363686.db2.gz GJOKSLDONYGHIT-UHFFFAOYSA-N -1 1 344.354 2.065 20 0 EEADMM CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)c1cncc([O-])c1 ZINC000890818833 675663727 /nfs/dbraw/zinc/66/37/27/675663727.db2.gz NMWAIQOEEPOPJQ-FZKQIMNGSA-N -1 1 347.415 2.307 20 0 EEADMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)nc1Cl ZINC000891619451 676727499 /nfs/dbraw/zinc/72/74/99/676727499.db2.gz ZERIPNGZCPUDHL-UHFFFAOYSA-N -1 1 334.763 2.370 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc(Br)nc1 ZINC000891621298 676732158 /nfs/dbraw/zinc/73/21/58/676732158.db2.gz GWKUSMPDCMWJGC-UHFFFAOYSA-N -1 1 349.188 2.471 20 0 EEADMM COc1ccccc1OCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891630903 676737688 /nfs/dbraw/zinc/73/76/88/676737688.db2.gz LXRMJOFQFUXWHP-UHFFFAOYSA-N -1 1 343.383 2.477 20 0 EEADMM CC(C)(C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000051388445 676921267 /nfs/dbraw/zinc/92/12/67/676921267.db2.gz UPWSBMIXKXUGMD-UHFFFAOYSA-N -1 1 329.299 2.134 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccsc1 ZINC000866859237 677916274 /nfs/dbraw/zinc/91/62/74/677916274.db2.gz JOZNQZHBSNNRGW-GFCCVEGCSA-N -1 1 337.369 2.465 20 0 EEADMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866865404 677937020 /nfs/dbraw/zinc/93/70/20/677937020.db2.gz OANYKACBFFGLJJ-VIFPVBQESA-N -1 1 327.233 2.218 20 0 EEADMM CC(=O)[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(Cl)ccc2[O-])C1(C)C ZINC000161248954 678333180 /nfs/dbraw/zinc/33/31/80/678333180.db2.gz JJSWLIXQIRKQPI-NWDGAFQWSA-N -1 1 338.791 2.058 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@@H]1CCOC1 ZINC000866874149 678456367 /nfs/dbraw/zinc/45/63/67/678456367.db2.gz FQGOTXIHKBKMPN-HTQZYQBOSA-N -1 1 325.217 2.092 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1coc(C)c1 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EEADMM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001589198234 1348969957 /nfs/dbraw/zinc/96/99/57/1348969957.db2.gz BFFHPLOUCXJUGJ-GFCCVEGCSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC[C@H]1CCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001589198234 1348969960 /nfs/dbraw/zinc/96/99/60/1348969960.db2.gz BFFHPLOUCXJUGJ-GFCCVEGCSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001589201998 1348970136 /nfs/dbraw/zinc/97/01/36/1348970136.db2.gz REDSUDRYEFHLSZ-UHFFFAOYSA-N -1 1 327.348 2.019 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001589249750 1348975278 /nfs/dbraw/zinc/97/52/78/1348975278.db2.gz YOLAKERWQLTDQX-QMMMGPOBSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001589249750 1348975279 /nfs/dbraw/zinc/97/52/79/1348975279.db2.gz YOLAKERWQLTDQX-QMMMGPOBSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(C)n1ncnc1CSCc1nc(-c2nnn[n-]2)cs1 ZINC001589265704 1348976912 /nfs/dbraw/zinc/97/69/12/1348976912.db2.gz PMPXFBRADZIWEA-UHFFFAOYSA-N -1 1 336.450 2.103 20 0 EEADMM CC(C)(C)n1ncnc1CSCc1nc(-c2nn[n-]n2)cs1 ZINC001589265704 1348976915 /nfs/dbraw/zinc/97/69/15/1348976915.db2.gz PMPXFBRADZIWEA-UHFFFAOYSA-N -1 1 336.450 2.103 20 0 EEADMM CC(C)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)C1CCOCC1 ZINC001589287721 1348979541 /nfs/dbraw/zinc/97/95/41/1348979541.db2.gz CXYJUCBTPCAFRI-UHFFFAOYSA-N -1 1 343.435 2.399 20 0 EEADMM CC(C)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)C1CCOCC1 ZINC001589287721 1348979545 /nfs/dbraw/zinc/97/95/45/1348979545.db2.gz CXYJUCBTPCAFRI-UHFFFAOYSA-N -1 1 343.435 2.399 20 0 EEADMM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589500972 1348996905 /nfs/dbraw/zinc/99/69/05/1348996905.db2.gz WHLZVZMEJBHTMS-YPMHNXCESA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589500972 1348996908 /nfs/dbraw/zinc/99/69/08/1348996908.db2.gz WHLZVZMEJBHTMS-YPMHNXCESA-N -1 1 329.408 2.150 20 0 EEADMM CC(C)[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCCO1 ZINC001589520283 1349000137 /nfs/dbraw/zinc/00/01/37/1349000137.db2.gz SIYLBOZJNPUDPY-MRVPVSSYSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)CN(C(C)C)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001589612745 1349010892 /nfs/dbraw/zinc/01/08/92/1349010892.db2.gz BSYKGTVFOFURDG-UHFFFAOYSA-N -1 1 343.478 2.124 20 0 EEADMM C[C@@H](CC(C)(C)O)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001589796455 1349046030 /nfs/dbraw/zinc/04/60/30/1349046030.db2.gz MLGHTHSVVOOGOH-ZETCQYMHSA-N -1 1 330.314 2.242 20 0 EEADMM C[C@@H](CC(C)(C)O)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001589796455 1349046032 /nfs/dbraw/zinc/04/60/32/1349046032.db2.gz MLGHTHSVVOOGOH-ZETCQYMHSA-N -1 1 330.314 2.242 20 0 EEADMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001589935934 1349070109 /nfs/dbraw/zinc/07/01/09/1349070109.db2.gz CBMIZCPWUMEXNV-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001589935934 1349070117 /nfs/dbraw/zinc/07/01/17/1349070117.db2.gz CBMIZCPWUMEXNV-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](Nc1ncncc1-c1nn[n-]n1)c1cc(F)ccc1N(C)C ZINC001589990201 1349096017 /nfs/dbraw/zinc/09/60/17/1349096017.db2.gz NHXJKNJCJVFQQS-VIFPVBQESA-N -1 1 328.355 2.035 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)[C@@H]1c1ccccc1 ZINC001590165953 1349182357 /nfs/dbraw/zinc/18/23/57/1349182357.db2.gz QUUIIJRIQHIRAG-QCZZGDTMSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)[C@@H]1c1ccccc1 ZINC001590165953 1349182361 /nfs/dbraw/zinc/18/23/61/1349182361.db2.gz QUUIIJRIQHIRAG-QCZZGDTMSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1C[C@H]1COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590221380 1349208856 /nfs/dbraw/zinc/20/88/56/1349208856.db2.gz RXJQAGODHYSEOC-SVRRBLITSA-N -1 1 327.266 2.093 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590225408 1349210204 /nfs/dbraw/zinc/21/02/04/1349210204.db2.gz DMTDZRYWXWXYDI-WZRBSPASSA-N -1 1 347.423 2.006 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590225408 1349210207 /nfs/dbraw/zinc/21/02/07/1349210207.db2.gz DMTDZRYWXWXYDI-WZRBSPASSA-N -1 1 347.423 2.006 20 0 EEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)[C@@H]1C ZINC001590249073 1349224459 /nfs/dbraw/zinc/22/44/59/1349224459.db2.gz APCRJZAZJNSGKP-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590250544 1349226775 /nfs/dbraw/zinc/22/67/75/1349226775.db2.gz FPFZNRIEQQCSHU-UWVGGRQHSA-N -1 1 334.811 2.471 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2c(O)cccc21 ZINC001590269847 1349241370 /nfs/dbraw/zinc/24/13/70/1349241370.db2.gz HPOJHYIUIYEDPN-SECBINFHSA-N -1 1 325.328 2.319 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccccc2)O1 ZINC001590298746 1349251153 /nfs/dbraw/zinc/25/11/53/1349251153.db2.gz NUSQQJMWVFKUBW-XHDPSFHLSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccccc2)O1 ZINC001590298746 1349251159 /nfs/dbraw/zinc/25/11/59/1349251159.db2.gz NUSQQJMWVFKUBW-XHDPSFHLSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H](C2CC2)O1 ZINC001590314032 1349259694 /nfs/dbraw/zinc/25/96/94/1349259694.db2.gz PWTSKJZLNMJKLH-DIFFPNOSSA-N -1 1 336.399 2.419 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H](C2CC2)O1 ZINC001590314032 1349259700 /nfs/dbraw/zinc/25/97/00/1349259700.db2.gz PWTSKJZLNMJKLH-DIFFPNOSSA-N -1 1 336.399 2.419 20 0 EEADMM C[C@@H]1OCC[C@@H]1c1nnc(-c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001590337850 1349273293 /nfs/dbraw/zinc/27/32/93/1349273293.db2.gz PHUJIQGTXKWKKF-XPUUQOCRSA-N -1 1 334.286 2.087 20 0 EEADMM C[C@@H]1OCC[C@@H]1c1nnc(-c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001590337850 1349273298 /nfs/dbraw/zinc/27/32/98/1349273298.db2.gz PHUJIQGTXKWKKF-XPUUQOCRSA-N -1 1 334.286 2.087 20 0 EEADMM CCC(C)(C)CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590375395 1349291260 /nfs/dbraw/zinc/29/12/60/1349291260.db2.gz FFWCUHRAYSZWBM-UHFFFAOYSA-N -1 1 342.325 2.447 20 0 EEADMM CC/C(C)=C/C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590386576 1349297553 /nfs/dbraw/zinc/29/75/53/1349297553.db2.gz VSBLJZRJHPDFSI-DJYGCBNOSA-N -1 1 347.448 2.001 20 0 EEADMM CC/C(C)=C\C(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001590392691 1349301445 /nfs/dbraw/zinc/30/14/45/1349301445.db2.gz KSNQETWQJHTTSV-QMRMAQATSA-N -1 1 347.448 2.072 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590401181 1349303338 /nfs/dbraw/zinc/30/33/38/1349303338.db2.gz CRZHEXORIYJBGT-IUODEOHRSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590401181 1349303345 /nfs/dbraw/zinc/30/33/45/1349303345.db2.gz CRZHEXORIYJBGT-IUODEOHRSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@H](C)N(CC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001590411114 1349311490 /nfs/dbraw/zinc/31/14/90/1349311490.db2.gz BITWTFDZINADNI-VIFPVBQESA-N -1 1 343.840 2.329 20 0 EEADMM CC[C@H](C)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590411431 1349312934 /nfs/dbraw/zinc/31/29/34/1349312934.db2.gz XYVRAOWWBADWSQ-ZETCQYMHSA-N -1 1 329.282 2.483 20 0 EEADMM CCC(CC)(CO)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001590428486 1349320538 /nfs/dbraw/zinc/32/05/38/1349320538.db2.gz FRIPOZXFHYTQOJ-UHFFFAOYSA-N -1 1 344.341 2.491 20 0 EEADMM CCC(CC)(CO)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001590428486 1349320541 /nfs/dbraw/zinc/32/05/41/1349320541.db2.gz FRIPOZXFHYTQOJ-UHFFFAOYSA-N -1 1 344.341 2.491 20 0 EEADMM CCC(CC)[C@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001590431648 1349322997 /nfs/dbraw/zinc/32/29/97/1349322997.db2.gz MZIUMXIZUMUTOC-CZUORRHYSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)[C@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001590431648 1349323004 /nfs/dbraw/zinc/32/30/04/1349323004.db2.gz MZIUMXIZUMUTOC-CZUORRHYSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590435263 1349323953 /nfs/dbraw/zinc/32/39/53/1349323953.db2.gz XBGNYTJWQGRLGK-UHFFFAOYSA-N -1 1 341.437 2.295 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590478952 1349351450 /nfs/dbraw/zinc/35/14/50/1349351450.db2.gz HSMWPCLBTGWHNO-NSHDSACASA-N -1 1 337.405 2.104 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590478952 1349351460 /nfs/dbraw/zinc/35/14/60/1349351460.db2.gz HSMWPCLBTGWHNO-NSHDSACASA-N -1 1 337.405 2.104 20 0 EEADMM CCC[C@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001590549501 1349367623 /nfs/dbraw/zinc/36/76/23/1349367623.db2.gz BFUFIEYUTYMODY-JTQLQIEISA-N -1 1 347.419 2.496 20 0 EEADMM CCC[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590559749 1349370231 /nfs/dbraw/zinc/37/02/31/1349370231.db2.gz KRYFBJZAMUBLKK-WCQYABFASA-N -1 1 341.375 2.104 20 0 EEADMM CCCN(C(=O)c1cscn1)c1snc(C)c1-c1nnn[n-]1 ZINC001590617588 1349377589 /nfs/dbraw/zinc/37/75/89/1349377589.db2.gz BEYSSGJOPLWJIX-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCCN(C(=O)c1cscn1)c1snc(C)c1-c1nn[n-]n1 ZINC001590617588 1349377592 /nfs/dbraw/zinc/37/75/92/1349377592.db2.gz BEYSSGJOPLWJIX-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCS[C@H](C(=O)OCc1nc(-c2nnn[n-]2)cs1)C(C)C ZINC001590851757 1349405327 /nfs/dbraw/zinc/40/53/27/1349405327.db2.gz PCKBZTRGMLMWPN-JTQLQIEISA-N -1 1 327.435 2.144 20 0 EEADMM CCS[C@H](C(=O)OCc1nc(-c2nn[n-]n2)cs1)C(C)C ZINC001590851757 1349405329 /nfs/dbraw/zinc/40/53/29/1349405329.db2.gz PCKBZTRGMLMWPN-JTQLQIEISA-N -1 1 327.435 2.144 20 0 EEADMM CCc1nc(N[C@@H]2C[C@@]2(F)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590917441 1349412110 /nfs/dbraw/zinc/41/21/10/1349412110.db2.gz PQNQRUPLENMPCG-MLGOLLRUSA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nc(N[C@@H]2C[C@@]2(F)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590917441 1349412116 /nfs/dbraw/zinc/41/21/16/1349412116.db2.gz PQNQRUPLENMPCG-MLGOLLRUSA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nc(NC[C@@H]2CC23CCSCC3)cc(-c2nnn[n-]2)n1 ZINC001590918170 1349412302 /nfs/dbraw/zinc/41/23/02/1349412302.db2.gz UNWNCMZNDXISBR-JTQLQIEISA-N -1 1 331.449 2.164 20 0 EEADMM CCc1nc(NC[C@@H]2CC23CCSCC3)cc(-c2nn[n-]n2)n1 ZINC001590918170 1349412307 /nfs/dbraw/zinc/41/23/07/1349412307.db2.gz UNWNCMZNDXISBR-JTQLQIEISA-N -1 1 331.449 2.164 20 0 EEADMM CCc1nc(Oc2ccc(-c3nnco3)cc2)cc(-c2nnn[n-]2)n1 ZINC001590924287 1349414043 /nfs/dbraw/zinc/41/40/43/1349414043.db2.gz AJWSUMHEZVRWEI-UHFFFAOYSA-N -1 1 336.315 2.061 20 0 EEADMM CCc1nc(Oc2ccc(-c3nnco3)cc2)cc(-c2nn[n-]n2)n1 ZINC001590924287 1349414045 /nfs/dbraw/zinc/41/40/45/1349414045.db2.gz AJWSUMHEZVRWEI-UHFFFAOYSA-N -1 1 336.315 2.061 20 0 EEADMM COC(=O)c1c(C)c(C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591286815 1349456655 /nfs/dbraw/zinc/45/66/55/1349456655.db2.gz RGRJARURSMVJKD-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COc1ccc(F)c(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001591606131 1349513595 /nfs/dbraw/zinc/51/35/95/1349513595.db2.gz XOAKOGMGNRGIIR-UHFFFAOYSA-N -1 1 348.363 2.398 20 0 EEADMM COc1cccc2[nH]cc(CCNc3ccnc(-c4nnn[n-]4)c3)c21 ZINC001591644097 1349522961 /nfs/dbraw/zinc/52/29/61/1349522961.db2.gz TXRGGCPVWKTJPB-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM COc1cccc2[nH]cc(CCNc3ccnc(-c4nn[n-]n4)c3)c21 ZINC001591644097 1349522966 /nfs/dbraw/zinc/52/29/66/1349522966.db2.gz TXRGGCPVWKTJPB-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM COc1ccccc1C1(CNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591649162 1349523823 /nfs/dbraw/zinc/52/38/23/1349523823.db2.gz NZVZSJUWVUONGF-UHFFFAOYSA-N -1 1 336.399 2.226 20 0 EEADMM COc1ccccc1C1(CNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591649162 1349523832 /nfs/dbraw/zinc/52/38/32/1349523832.db2.gz NZVZSJUWVUONGF-UHFFFAOYSA-N -1 1 336.399 2.226 20 0 EEADMM COc1ccccc1C1(CNc2cc(-c3nnn[n-]3)ncn2)CCC1 ZINC001591649364 1349524875 /nfs/dbraw/zinc/52/48/75/1349524875.db2.gz PWEZJRDFUQNETI-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM COc1ccccc1C1(CNc2cc(-c3nn[n-]n3)ncn2)CCC1 ZINC001591649364 1349524878 /nfs/dbraw/zinc/52/48/78/1349524878.db2.gz PWEZJRDFUQNETI-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@H](Cc2nccs2)C1 ZINC001592110408 1349593402 /nfs/dbraw/zinc/59/34/02/1349593402.db2.gz OSQFDRDDYOUFSM-GFCCVEGCSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1ccc(SCCNC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001592198095 1349605129 /nfs/dbraw/zinc/60/51/29/1349605129.db2.gz LWHMMOJZPCSMNW-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1ccc(SCCNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001592198095 1349605133 /nfs/dbraw/zinc/60/51/33/1349605133.db2.gz LWHMMOJZPCSMNW-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1ccc2c(c1)O[C@H](C)CN2Cc1nc(-c2nnn[n-]2)cs1 ZINC001592204570 1349608284 /nfs/dbraw/zinc/60/82/84/1349608284.db2.gz AIBSJTMYFYPXNH-SNVBAGLBSA-N -1 1 328.401 2.419 20 0 EEADMM Cc1ccc2c(c1)O[C@H](C)CN2Cc1nc(-c2nn[n-]n2)cs1 ZINC001592204570 1349608292 /nfs/dbraw/zinc/60/82/92/1349608292.db2.gz AIBSJTMYFYPXNH-SNVBAGLBSA-N -1 1 328.401 2.419 20 0 EEADMM Cc1ccc2c(c1)nc(CNc1ccc(C)c(-c3nnn[n-]3)n1)n2C ZINC001592205724 1349609276 /nfs/dbraw/zinc/60/92/76/1349609276.db2.gz XFKMXXHCAOZENG-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM Cc1ccc2c(c1)nc(CNc1ccc(C)c(-c3nn[n-]n3)n1)n2C ZINC001592205724 1349609282 /nfs/dbraw/zinc/60/92/82/1349609282.db2.gz XFKMXXHCAOZENG-UHFFFAOYSA-N -1 1 334.387 2.377 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)c1-c1nn[n-]n1 ZINC001592328506 1349622118 /nfs/dbraw/zinc/62/21/18/1349622118.db2.gz VSIOIQHRISEDFO-GFCCVEGCSA-N -1 1 343.366 2.416 20 0 EEADMM Cc1nc(N[C@H]2Cc3ccc(Cl)cc3C2)cc(-c2nnn[n-]2)n1 ZINC001592383956 1349625810 /nfs/dbraw/zinc/62/58/10/1349625810.db2.gz MXMYSDJQNPTXDB-LBPRGKRZSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1nc(N[C@H]2Cc3ccc(Cl)cc3C2)cc(-c2nn[n-]n2)n1 ZINC001592383956 1349625811 /nfs/dbraw/zinc/62/58/11/1349625811.db2.gz MXMYSDJQNPTXDB-LBPRGKRZSA-N -1 1 327.779 2.198 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001592501200 1349638002 /nfs/dbraw/zinc/63/80/02/1349638002.db2.gz DWOKUZRPBWJBQP-IIAWOOMASA-N -1 1 335.367 2.084 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001592501200 1349638003 /nfs/dbraw/zinc/63/80/03/1349638003.db2.gz DWOKUZRPBWJBQP-IIAWOOMASA-N -1 1 335.367 2.084 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(OCCF)c1 ZINC001592503826 1349640228 /nfs/dbraw/zinc/64/02/28/1349640228.db2.gz VOCXOPILHOHISR-UHFFFAOYSA-N -1 1 331.307 2.369 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(OCCF)c1 ZINC001592503826 1349640231 /nfs/dbraw/zinc/64/02/31/1349640231.db2.gz VOCXOPILHOHISR-UHFFFAOYSA-N -1 1 331.307 2.369 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC[C@@H](O)c1ccccc1 ZINC001592504103 1349642814 /nfs/dbraw/zinc/64/28/14/1349642814.db2.gz UMLNIBFYKBZXRD-CYBMUJFWSA-N -1 1 328.328 2.049 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC[C@@H](O)c1ccccc1 ZINC001592504103 1349642818 /nfs/dbraw/zinc/64/28/18/1349642818.db2.gz UMLNIBFYKBZXRD-CYBMUJFWSA-N -1 1 328.328 2.049 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001592542195 1349653544 /nfs/dbraw/zinc/65/35/44/1349653544.db2.gz CYMGOWZGHJNUCK-GFCCVEGCSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001592542195 1349653546 /nfs/dbraw/zinc/65/35/46/1349653546.db2.gz CYMGOWZGHJNUCK-GFCCVEGCSA-N -1 1 340.391 2.024 20 0 EEADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592955248 1349729590 /nfs/dbraw/zinc/72/95/90/1349729590.db2.gz MBYBEHGOYODBKT-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592955248 1349729593 /nfs/dbraw/zinc/72/95/93/1349729593.db2.gz MBYBEHGOYODBKT-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H]1CCOCC12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001592996477 1349732934 /nfs/dbraw/zinc/73/29/34/1349732934.db2.gz PCUYJHWYDYOXLF-LBPRGKRZSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(N[C@H]1CCOCC12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001592996477 1349732935 /nfs/dbraw/zinc/73/29/35/1349732935.db2.gz PCUYJHWYDYOXLF-LBPRGKRZSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001593138253 1349740325 /nfs/dbraw/zinc/74/03/25/1349740325.db2.gz AUFPFTKTTVVOHV-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(NCc1ccc(Cl)c(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001593138253 1349740331 /nfs/dbraw/zinc/74/03/31/1349740331.db2.gz AUFPFTKTTVVOHV-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(Nc1cnc2c(F)cccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593258862 1349752591 /nfs/dbraw/zinc/75/25/91/1349752591.db2.gz ULUUAKWNJYHUKG-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cnc2c(F)cccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593258862 1349752592 /nfs/dbraw/zinc/75/25/92/1349752592.db2.gz ULUUAKWNJYHUKG-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(O[C@@H]1COc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593280027 1349759623 /nfs/dbraw/zinc/75/96/23/1349759623.db2.gz BAHGHGLSVPASSA-GFCCVEGCSA-N -1 1 332.703 2.404 20 0 EEADMM O=C(OC[C@H]1CCC[C@H](C(F)(F)F)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284850 1349763068 /nfs/dbraw/zinc/76/30/68/1349763068.db2.gz UIZZHVLSGONWQY-PSASIEDQSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OC[C@H]1CCC[C@H](C(F)(F)F)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284850 1349763072 /nfs/dbraw/zinc/76/30/72/1349763072.db2.gz UIZZHVLSGONWQY-PSASIEDQSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593298035 1349771936 /nfs/dbraw/zinc/77/19/36/1349771936.db2.gz WVRFVFBRUBWMFJ-MLGOLLRUSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593298035 1349771947 /nfs/dbraw/zinc/77/19/47/1349771947.db2.gz WVRFVFBRUBWMFJ-MLGOLLRUSA-N -1 1 328.303 2.388 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCOC2(CCC2)C1 ZINC001593299235 1349772262 /nfs/dbraw/zinc/77/22/62/1349772262.db2.gz QQLPZEJFPJSALJ-SNVBAGLBSA-N -1 1 334.401 2.321 20 0 EEADMM O=C(OCc1ncc(C(F)(F)F)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001593306267 1349775528 /nfs/dbraw/zinc/77/55/28/1349775528.db2.gz LKLNBGGARPHNFB-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593310803 1349777549 /nfs/dbraw/zinc/77/75/49/1349777549.db2.gz ZSRVMCHWOXAGRM-FRRDWIJNSA-N -1 1 336.399 2.143 20 0 EEADMM O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593310803 1349777556 /nfs/dbraw/zinc/77/75/56/1349777556.db2.gz ZSRVMCHWOXAGRM-FRRDWIJNSA-N -1 1 336.399 2.143 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1Cc2cc(F)c(F)cc2C1 ZINC001593362162 1349790890 /nfs/dbraw/zinc/79/08/90/1349790890.db2.gz JJEOGWZIZSGSEH-UHFFFAOYSA-N -1 1 333.323 2.362 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1Cc2cc(F)c(F)cc2C1 ZINC001593362162 1349790891 /nfs/dbraw/zinc/79/08/91/1349790891.db2.gz JJEOGWZIZSGSEH-UHFFFAOYSA-N -1 1 333.323 2.362 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1CCC(F)(F)C1)CCCC2 ZINC001593492033 1349817635 /nfs/dbraw/zinc/81/76/35/1349817635.db2.gz IEDPYWHWQLKAHK-JTQLQIEISA-N -1 1 335.358 2.343 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccccc1F ZINC001593507143 1349823745 /nfs/dbraw/zinc/82/37/45/1349823745.db2.gz MTGUMNGWIJEIHM-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1F ZINC001593507143 1349823751 /nfs/dbraw/zinc/82/37/51/1349823751.db2.gz MTGUMNGWIJEIHM-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001593537140 1349835323 /nfs/dbraw/zinc/83/53/23/1349835323.db2.gz FWQFURJQXROLBD-KOLCDFICSA-N -1 1 348.819 2.437 20 0 EEADMM O[C@@H]1CCc2ccccc2[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001593537140 1349835328 /nfs/dbraw/zinc/83/53/28/1349835328.db2.gz FWQFURJQXROLBD-KOLCDFICSA-N -1 1 348.819 2.437 20 0 EEADMM c1c(NC[C@@H]2CCC3(CCC3)O2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543186 1349839059 /nfs/dbraw/zinc/83/90/59/1349839059.db2.gz FMULBJAOYILDAU-NSHDSACASA-N -1 1 327.392 2.048 20 0 EEADMM c1c(NC[C@@H]2CCC3(CCC3)O2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543186 1349839064 /nfs/dbraw/zinc/83/90/64/1349839064.db2.gz FMULBJAOYILDAU-NSHDSACASA-N -1 1 327.392 2.048 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1cnc(-c2ccccc2)s1 ZINC001593567492 1349853809 /nfs/dbraw/zinc/85/38/09/1349853809.db2.gz NWCARQWPYWQTOL-UHFFFAOYSA-N -1 1 348.395 2.488 20 0 EEADMM c1ccc(C(CNc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC001593570818 1349856393 /nfs/dbraw/zinc/85/63/93/1349856393.db2.gz LPLSFUIQNXNMCY-UHFFFAOYSA-N -1 1 343.394 2.323 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@@H]1CCCOC1 ZINC001593580794 1349861965 /nfs/dbraw/zinc/86/19/65/1349861965.db2.gz ZDYZNESNXGMYSN-NSHDSACASA-N -1 1 325.376 2.039 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@@H]1CCCOC1 ZINC001593580794 1349861969 /nfs/dbraw/zinc/86/19/69/1349861969.db2.gz ZDYZNESNXGMYSN-NSHDSACASA-N -1 1 325.376 2.039 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(N2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001593582939 1349864719 /nfs/dbraw/zinc/86/47/19/1349864719.db2.gz GSSPGCFUJDYGDX-CQSZACIVSA-N -1 1 328.420 2.295 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(N2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001593582939 1349864720 /nfs/dbraw/zinc/86/47/20/1349864720.db2.gz GSSPGCFUJDYGDX-CQSZACIVSA-N -1 1 328.420 2.295 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN2Cc3cnn(C)c3CC(C)(C)C2)n1C ZINC001599988113 1349950226 /nfs/dbraw/zinc/95/02/26/1349950226.db2.gz UDKXBPZCLOACNR-UHFFFAOYSA-N -1 1 330.432 2.350 20 0 EEADMM Cc1cc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)on1 ZINC001600205781 1349992892 /nfs/dbraw/zinc/99/28/92/1349992892.db2.gz ILSLXSBQFSEFTR-SFHVURJKSA-N -1 1 329.400 2.192 20 0 EEADMM Cc1ccc([C@H](N)C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC001600380078 1350035368 /nfs/dbraw/zinc/03/53/68/1350035368.db2.gz CFEZMSVOEXTEEG-MSOLQXFVSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1ccc(C)c(OCC[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600390186 1350037711 /nfs/dbraw/zinc/03/77/11/1350037711.db2.gz USMHHZLYRPPZTA-XAUUPUKJSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)C2)cc1 ZINC001600398302 1350040574 /nfs/dbraw/zinc/04/05/74/1350040574.db2.gz QUWROZOMJDLGMZ-IAGOWNOFSA-N -1 1 342.439 2.455 20 0 EEADMM Cc1ccc(/C=C\CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC001600398677 1350040656 /nfs/dbraw/zinc/04/06/56/1350040656.db2.gz UGVLSGGJTBQKRP-MJSXRHKHSA-N -1 1 330.428 2.406 20 0 EEADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600496581 1350066160 /nfs/dbraw/zinc/06/61/60/1350066160.db2.gz NVUOKHMWBXGMHN-YOEHRIQHSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1cccc(Cl)c1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001600534996 1350075407 /nfs/dbraw/zinc/07/54/07/1350075407.db2.gz BUPKRUDAXBODMT-KRWDZBQOSA-N -1 1 338.835 2.010 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCN(C)c2ccccc2C1 ZINC001600785852 1350137102 /nfs/dbraw/zinc/13/71/02/1350137102.db2.gz KQFPJXHMCAJLQH-UHFFFAOYSA-N -1 1 342.443 2.427 20 0 EEADMM Cn1c2ccccc2n(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c1=S ZINC001600899124 1350162993 /nfs/dbraw/zinc/16/29/93/1350162993.db2.gz SVBCDRTWFBKSQF-YVEFUNNKSA-N -1 1 347.440 2.090 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC001601297944 1350252074 /nfs/dbraw/zinc/25/20/74/1350252074.db2.gz MSLPVCGFPDTSSF-AWEZNQCLSA-N -1 1 344.367 2.123 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC001601323773 1350257249 /nfs/dbraw/zinc/25/72/49/1350257249.db2.gz MIWJIZCSJITVAK-QGZVFWFLSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cc(C(F)(F)F)co1)C[C@H]2C(=O)[O-] ZINC001601784275 1350363819 /nfs/dbraw/zinc/36/38/19/1350363819.db2.gz ZXZSSTQMCWSRPV-PGMTZQPISA-N -1 1 347.289 2.296 20 0 EEADMM O=C([O-])/C=C\c1ccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)o1 ZINC001601879684 1350388424 /nfs/dbraw/zinc/38/84/24/1350388424.db2.gz UFJAPDYFFNCPNT-LJTDUEICSA-N -1 1 332.400 2.401 20 0 EEADMM O=C([O-])/C=C\c1ccc(OCCN2CCCC[C@H]2C2OCCO2)cc1 ZINC001601882151 1350390070 /nfs/dbraw/zinc/39/00/70/1350390070.db2.gz FOLYEARDUYQOKT-SKHCZCESSA-N -1 1 347.411 2.391 20 0 EEADMM O=C([O-])CC1(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001601916060 1350396303 /nfs/dbraw/zinc/39/63/03/1350396303.db2.gz ZMNKECPHJHERJU-UHFFFAOYSA-N -1 1 332.400 2.196 20 0 EEADMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001601954158 1350405046 /nfs/dbraw/zinc/40/50/46/1350405046.db2.gz ZREBPWDEQHBCDH-ZDUSSCGKSA-N -1 1 336.388 2.020 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC001601956887 1350405415 /nfs/dbraw/zinc/40/54/15/1350405415.db2.gz OIJCOKSDDPPXEF-UHFFFAOYSA-N -1 1 338.835 2.185 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001602004383 1350416017 /nfs/dbraw/zinc/41/60/17/1350416017.db2.gz AZSQXAPUQOUPHP-UHFFFAOYSA-N -1 1 337.763 2.091 20 0 EEADMM O=C([O-])COc1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC001602082299 1350432634 /nfs/dbraw/zinc/43/26/34/1350432634.db2.gz NXJFUZHZSXIAQZ-UHFFFAOYSA-N -1 1 347.440 2.319 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)C1 ZINC001602214131 1350467923 /nfs/dbraw/zinc/46/79/23/1350467923.db2.gz QZWIFILLVXKHBK-ISTVAULSSA-N -1 1 329.356 2.464 20 0 EEADMM O=C([O-])c1ccc(C(=O)CSc2nc(-c3cccnc3)n[nH]2)o1 ZINC001602315959 1350492034 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ZINC001604563317 1350961382 /nfs/dbraw/zinc/96/13/82/1350961382.db2.gz OYHANUIIOAFRJW-SNVBAGLBSA-N -1 1 343.366 2.238 20 0 EEADMM C[C@@]1(Cc2ccc(F)cc2)CCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001604584528 1350964705 /nfs/dbraw/zinc/96/47/05/1350964705.db2.gz YKOQAMCLHHUIMO-KRWDZBQOSA-N -1 1 332.379 2.099 20 0 EEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cn(C)nc1Br ZINC001604651840 1350977077 /nfs/dbraw/zinc/97/70/77/1350977077.db2.gz DUCJCVCEMCYRMO-IUCAKERBSA-N -1 1 330.226 2.256 20 0 EEADMM CN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604650508 1350977287 /nfs/dbraw/zinc/97/72/87/1350977287.db2.gz LQQLFIQUEZVPHC-UHFFFAOYSA-N -1 1 338.302 2.424 20 0 EEADMM CN(C(=O)c1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604650508 1350977289 /nfs/dbraw/zinc/97/72/89/1350977289.db2.gz LQQLFIQUEZVPHC-UHFFFAOYSA-N -1 1 338.302 2.424 20 0 EEADMM C[C@@H]1CC[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001604754239 1350997376 /nfs/dbraw/zinc/99/73/76/1350997376.db2.gz UVLMPNMUIUPHFS-WGXYTZMTSA-N -1 1 333.384 2.206 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])[nH]2)[C@@H](C)CN1Cc1ccccc1 ZINC001604780728 1351002483 /nfs/dbraw/zinc/00/24/83/1351002483.db2.gz JZPUBFMUQGWPOR-KBPBESRZSA-N -1 1 341.411 2.448 20 0 EEADMM CC[C@@H](C)[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949063 1351037261 /nfs/dbraw/zinc/03/72/61/1351037261.db2.gz YCGRXUBBMPUXMK-SVGQVSJJSA-N -1 1 346.352 2.097 20 0 EEADMM CCC(CC)(C(=O)[O-])C(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC001604987462 1351047091 /nfs/dbraw/zinc/04/70/91/1351047091.db2.gz QDXUCOQJZRVCGI-UHFFFAOYSA-N -1 1 334.401 2.419 20 0 EEADMM COc1cc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)ccc1Cl ZINC001605223113 1351108563 /nfs/dbraw/zinc/10/85/63/1351108563.db2.gz PKTKVKIGZJZYFV-UHFFFAOYSA-N -1 1 331.763 2.047 20 0 EEADMM CCCCN(CC(N)=O)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001605276246 1351122323 /nfs/dbraw/zinc/12/23/23/1351122323.db2.gz GKTYAHBDIXVXEA-UHFFFAOYSA-N -1 1 335.379 2.103 20 0 EEADMM COc1ncc(NC(=O)N[C@H](C)CCC(C)C)cc1-c1nn[n-]n1 ZINC001605347628 1351142963 /nfs/dbraw/zinc/14/29/63/1351142963.db2.gz PPCURCIJSVIAQJ-SNVBAGLBSA-N -1 1 333.396 2.217 20 0 EEADMM CCCc1nc(C)cc(OCc2oncc2C(=O)OC)c1C(=O)[O-] ZINC001605378623 1351149023 /nfs/dbraw/zinc/14/90/23/1351149023.db2.gz DTUNNFMKIXLZMV-UHFFFAOYSA-N -1 1 334.328 2.394 20 0 EEADMM CCN(CCNC(=O)c1cc(C(=O)[O-])oc1C)CCC(F)(F)F ZINC001605447556 1351159654 /nfs/dbraw/zinc/15/96/54/1351159654.db2.gz ASIXKJDAQKDCLG-UHFFFAOYSA-N -1 1 336.310 2.290 20 0 EEADMM CCO[C@@H]1COCC[C@@H]1N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001605615193 1351201814 /nfs/dbraw/zinc/20/18/14/1351201814.db2.gz CGHHCRCFPUCLCP-SCRDCRAPSA-N -1 1 331.771 2.388 20 0 EEADMM Cc1ccc(C=CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001605834503 1351232194 /nfs/dbraw/zinc/23/21/94/1351232194.db2.gz YIZKYEACJVYPIG-PLNGDYQASA-N -1 1 347.791 2.332 20 0 EEADMM Cc1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nnn[n-]2)n1 ZINC001605866879 1351241266 /nfs/dbraw/zinc/24/12/66/1351241266.db2.gz CPJXCELUONSOIS-CYBMUJFWSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1ccc(N2CCO[C@@H](c3ccsc3)C2)c(-c2nn[n-]n2)n1 ZINC001605866879 1351241269 /nfs/dbraw/zinc/24/12/69/1351241269.db2.gz CPJXCELUONSOIS-CYBMUJFWSA-N -1 1 328.401 2.210 20 0 EEADMM CCc1noc(C[C@]2(O)CCCN([C@H](C)c3ccc(C(=O)[O-])o3)C2)n1 ZINC001605876291 1351243783 /nfs/dbraw/zinc/24/37/83/1351243783.db2.gz GSRRWJFZIMIZFT-PIGZYNQJSA-N -1 1 349.387 2.054 20 0 EEADMM Cc1ccc(NCc2cccc(C(=O)NC3CC3)c2)c(-c2nnn[n-]2)n1 ZINC001605875253 1351243815 /nfs/dbraw/zinc/24/38/15/1351243815.db2.gz FVYOYOMWRZHUOM-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc(NCc2cccc(C(=O)NC3CC3)c2)c(-c2nn[n-]n2)n1 ZINC001605875253 1351243818 /nfs/dbraw/zinc/24/38/18/1351243818.db2.gz FVYOYOMWRZHUOM-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001605928927 1351255641 /nfs/dbraw/zinc/25/56/41/1351255641.db2.gz CUORPVFDDROFEI-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001605928927 1351255644 /nfs/dbraw/zinc/25/56/44/1351255644.db2.gz CUORPVFDDROFEI-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM CN(CC(=O)Nc1ccccc1OC(F)F)C(C)(C)CC(=O)[O-] ZINC001606084525 1351267951 /nfs/dbraw/zinc/26/79/51/1351267951.db2.gz KYALHFRKUWJPTG-UHFFFAOYSA-N -1 1 330.331 2.412 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001606158381 1351279292 /nfs/dbraw/zinc/27/92/92/1351279292.db2.gz LEEDLXUJQGGFLP-VIFPVBQESA-N -1 1 347.448 2.049 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001606498136 1351312348 /nfs/dbraw/zinc/31/23/48/1351312348.db2.gz YVRBLXNWDOYADR-LLVKDONJSA-N -1 1 340.387 2.019 20 0 EEADMM O=C(CCNc1nc(-c2nn[n-]n2)c(Cl)s1)Nc1ccccc1 ZINC001606523949 1351316245 /nfs/dbraw/zinc/31/62/45/1351316245.db2.gz LICJUFMFCFSLMG-UHFFFAOYSA-N -1 1 349.807 2.417 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606633074 1351334953 /nfs/dbraw/zinc/33/49/53/1351334953.db2.gz KCDVRUSPAPMBRF-ZFWWWQNUSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606633074 1351334961 /nfs/dbraw/zinc/33/49/61/1351334961.db2.gz KCDVRUSPAPMBRF-ZFWWWQNUSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606641442 1351336040 /nfs/dbraw/zinc/33/60/40/1351336040.db2.gz ZYSIJGYPRWIOMN-UHFFFAOYSA-N -1 1 327.319 2.408 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606641442 1351336042 /nfs/dbraw/zinc/33/60/42/1351336042.db2.gz ZYSIJGYPRWIOMN-UHFFFAOYSA-N -1 1 327.319 2.408 20 0 EEADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccsc1-c1nnn[n-]1 ZINC001606686321 1351342823 /nfs/dbraw/zinc/34/28/23/1351342823.db2.gz TZPQXRYYYYRIAD-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccsc1-c1nn[n-]n1 ZINC001606686321 1351342825 /nfs/dbraw/zinc/34/28/25/1351342825.db2.gz TZPQXRYYYYRIAD-LBPRGKRZSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NC[C@H]1CC12CCSCC2)c1ccsc1-c1nnn[n-]1 ZINC001606725652 1351347369 /nfs/dbraw/zinc/34/73/69/1351347369.db2.gz PRWDCMXFRHCUBO-SECBINFHSA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NC[C@H]1CC12CCSCC2)c1ccsc1-c1nn[n-]n1 ZINC001606725652 1351347373 /nfs/dbraw/zinc/34/73/73/1351347373.db2.gz PRWDCMXFRHCUBO-SECBINFHSA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NCCC1CCC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606762574 1351353139 /nfs/dbraw/zinc/35/31/39/1351353139.db2.gz XAGCBIUGTMNOBJ-UHFFFAOYSA-N -1 1 340.309 2.201 20 0 EEADMM O=C(NCCCOc1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001606776611 1351355521 /nfs/dbraw/zinc/35/55/21/1351355521.db2.gz VTOYTEYHFWUDKV-UHFFFAOYSA-N -1 1 329.385 2.127 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)[C@H]1CC12CCC2 ZINC001606915755 1351375233 /nfs/dbraw/zinc/37/52/33/1351375233.db2.gz ZRSNWSDAICMVBU-SSDOTTSWSA-N -1 1 349.192 2.153 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)[C@H]1CC12CCC2 ZINC001606915755 1351375236 /nfs/dbraw/zinc/37/52/36/1351375236.db2.gz ZRSNWSDAICMVBU-SSDOTTSWSA-N -1 1 349.192 2.153 20 0 EEADMM O=C(Nc1cncc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001606946193 1351381800 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COc1cc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)ccc1F ZINC001607181142 1351444366 /nfs/dbraw/zinc/44/43/66/1351444366.db2.gz XSHYRXPBQWCGCF-UHFFFAOYSA-N -1 1 340.332 2.037 20 0 EEADMM COc1cccc(C(=O)NCCN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001607304966 1351469465 /nfs/dbraw/zinc/46/94/65/1351469465.db2.gz QJWBYEAXDBTOSV-NSHDSACASA-N -1 1 332.356 2.067 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1C(=O)[O-] ZINC001607486615 1351502730 /nfs/dbraw/zinc/50/27/30/1351502730.db2.gz VLZWAEZVUXPMLC-MGPQQGTHSA-N -1 1 334.416 2.138 20 0 EEADMM Cc1[nH]c(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c(C)c1C(=O)[O-] ZINC001607492024 1351504000 /nfs/dbraw/zinc/50/40/00/1351504000.db2.gz KRUXQISDJOFWFO-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cccc(N3CCCC3=O)c2)n1C ZINC001607516605 1351509334 /nfs/dbraw/zinc/50/93/34/1351509334.db2.gz CXUHFBHRNSOXLK-UHFFFAOYSA-N -1 1 341.411 2.448 20 0 EEADMM Cc1cc(C[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001607637612 1351530769 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O=C([O-])c1cccc2nc(NC(=O)Cn3ccc(C(F)F)n3)[nH]c21 ZINC001608378262 1351682107 /nfs/dbraw/zinc/68/21/07/1351682107.db2.gz GIHLJPKEIHPFCS-UHFFFAOYSA-N -1 1 335.270 2.034 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(-c3cccc(O)c3)on2)n1 ZINC001629329558 1352551876 /nfs/dbraw/zinc/55/18/76/1352551876.db2.gz RCHLHNDPMKPZSP-UHFFFAOYSA-N -1 1 342.311 2.199 20 0 EEADMM O=C(CCCc1ccccc1Br)OCc1nn[n-]n1 ZINC001649229209 1352561576 /nfs/dbraw/zinc/56/15/76/1352561576.db2.gz RFDKTCSUFPDGJP-UHFFFAOYSA-N -1 1 325.166 2.028 20 0 EEADMM CCC[C@H](NC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)c1nn[n-]n1 ZINC001645623476 1352793215 /nfs/dbraw/zinc/79/32/15/1352793215.db2.gz YUWODBCMDRPMAK-ZDUSSCGKSA-N -1 1 344.419 2.086 20 0 EEADMM CN(C(=O)c1c(F)ccc(SCC2CC2)c1F)c1nn[n-]n1 ZINC001646203175 1352821150 /nfs/dbraw/zinc/82/11/50/1352821150.db2.gz GLPXIIFLQNWJOD-UHFFFAOYSA-N -1 1 325.344 2.257 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)c1 ZINC000062179825 1352868199 /nfs/dbraw/zinc/86/81/99/1352868199.db2.gz 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Cc1ncc(C(=O)[O-])cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001650026385 1353692478 /nfs/dbraw/zinc/69/24/78/1353692478.db2.gz RKSRNOUOMNDEDM-UHFFFAOYSA-N -1 1 330.388 2.381 20 0 EEADMM O=C(Nc1cc2n(n1)CCN(Cc1ccccc1)C2)c1cncc([O-])c1 ZINC001650974735 1354036126 /nfs/dbraw/zinc/03/61/26/1354036126.db2.gz NYBIZTAUHCNHCO-UHFFFAOYSA-N -1 1 349.394 2.252 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc3ncccc23)o1 ZINC001656820527 1354281323 /nfs/dbraw/zinc/28/13/23/1354281323.db2.gz FDIQETALLQJSIO-UHFFFAOYSA-N -1 1 346.364 2.093 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)CCCC(F)(F)F ZINC001388239896 1387276167 /nfs/dbraw/zinc/27/61/67/1387276167.db2.gz MLELEKXVVVZUAZ-UHFFFAOYSA-N -1 1 347.337 2.098 20 0 EEADMM CC(C)CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001388803766 1387714552 /nfs/dbraw/zinc/71/45/52/1387714552.db2.gz GQZRAMXXKPOPFD-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C1CCC1 ZINC001388901466 1387792463 /nfs/dbraw/zinc/79/24/63/1387792463.db2.gz MSIVZRXGXXAQQX-GXTWGEPZSA-N -1 1 333.432 2.094 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc(C(F)(F)F)nc3C)c1-2 ZINC001188726099 1368314484 /nfs/dbraw/zinc/31/44/84/1368314484.db2.gz JQTFLMZTVNDTNU-UHFFFAOYSA-N -1 1 336.277 2.009 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2cc(OC)cc(OCC)c2)n[nH]1 ZINC001197308457 1368613285 /nfs/dbraw/zinc/61/32/85/1368613285.db2.gz VJJYEPWQAGHJOG-UHFFFAOYSA-N -1 1 333.344 2.246 20 0 EEADMM Cc1oc2cc(O)ccc2c1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001198626534 1368634431 /nfs/dbraw/zinc/63/44/31/1368634431.db2.gz FCPSUOCKBMEFPW-UHFFFAOYSA-N -1 1 325.284 2.071 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCOC1)c1cc(Cl)c(Cl)cc1F ZINC001201275941 1368801310 /nfs/dbraw/zinc/80/13/10/1368801310.db2.gz GWTLSXRSOPLKLA-ZETCQYMHSA-N -1 1 328.192 2.447 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1CCCc2nccnc21 ZINC001201771015 1368842851 /nfs/dbraw/zinc/84/28/51/1368842851.db2.gz ZMSPOKNCPVFRJZ-SECBINFHSA-N -1 1 344.849 2.251 20 0 EEADMM O=C(Cc1scnc1-c1ccccc1)[N-]OCCN1CCCC1=O ZINC000856044114 1369405371 /nfs/dbraw/zinc/40/53/71/1369405371.db2.gz QSMMUCCTRDKEIC-UHFFFAOYSA-N -1 1 345.424 2.023 20 0 EEADMM O=C(Nc1cccc(F)c1[O-])C1CCN(C(=O)c2cccnc2)CC1 ZINC000863010006 1369554750 /nfs/dbraw/zinc/55/47/50/1369554750.db2.gz MIEMXKJJLVDIFU-UHFFFAOYSA-N -1 1 343.358 2.417 20 0 EEADMM COC[C@@H](C)CNC(=O)Cn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000149959395 1370282991 /nfs/dbraw/zinc/28/29/91/1370282991.db2.gz RSHMIXHTSNJLEZ-LBPRGKRZSA-N -1 1 334.445 2.315 20 0 EEADMM CC(C)C(=O)NCc1ccc2c(c1)CN(C(=O)c1ncccc1[O-])C2 ZINC001070292910 1370322875 /nfs/dbraw/zinc/32/28/75/1370322875.db2.gz KMIAXXCGTYRRID-UHFFFAOYSA-N -1 1 339.395 2.215 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)CCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001074902225 1370958090 /nfs/dbraw/zinc/95/80/90/1370958090.db2.gz JZKFBZHSPYVQAN-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C\C2CCCC2)cc1 ZINC000830802714 1372350756 /nfs/dbraw/zinc/35/07/56/1372350756.db2.gz AYQLAZCMDXQTJZ-WDZFZDKYSA-N -1 1 331.368 2.241 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000830834077 1372351825 /nfs/dbraw/zinc/35/18/25/1372351825.db2.gz WTIPDGKTLTXVBE-HNNXBMFYSA-N -1 1 340.345 2.388 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2cc3ccncc3s2)C1)C(F)(F)F ZINC000831122142 1372364957 /nfs/dbraw/zinc/36/49/57/1372364957.db2.gz WZNLREOLIWHVPR-UHFFFAOYSA-N -1 1 343.330 2.047 20 0 EEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831140524 1372368298 /nfs/dbraw/zinc/36/82/98/1372368298.db2.gz ZQMDVDSAZBFELU-QWRGUYRKSA-N -1 1 346.374 2.297 20 0 EEADMM Cc1[nH]c(CN2CCC[C@@H](Oc3ncc(C)cn3)C2)c(C)c1C(=O)[O-] ZINC001140499226 1372587950 /nfs/dbraw/zinc/58/79/50/1372587950.db2.gz OWVNFLNEPAEELA-CQSZACIVSA-N -1 1 344.415 2.472 20 0 EEADMM Cn1ccnc1[C@H](NC(=O)c1ccc([O-])cn1)c1cccc(F)c1 ZINC001141271049 1372781124 /nfs/dbraw/zinc/78/11/24/1372781124.db2.gz MWLIDMFIMATSGU-OAHLLOKOSA-N -1 1 326.331 2.179 20 0 EEADMM CCn1nc(C)c(COC(=O)c2nn(-c3ccc(C)cc3)cc2[O-])n1 ZINC000837707061 1372798042 /nfs/dbraw/zinc/79/80/42/1372798042.db2.gz HZNXSFPECXGKAU-UHFFFAOYSA-N -1 1 341.371 2.163 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCSC1 ZINC000848339570 1373135806 /nfs/dbraw/zinc/13/58/06/1373135806.db2.gz IURRHDDIMFBHQF-GMTAPVOTSA-N -1 1 338.395 2.188 20 0 EEADMM O=S(=O)([N-]C[C@H](CO)CC1CC1)c1c(Cl)ccnc1Cl ZINC000849469149 1373260294 /nfs/dbraw/zinc/26/02/94/1373260294.db2.gz PYKDWCZCFXXTLU-SECBINFHSA-N -1 1 339.244 2.075 20 0 EEADMM COC(=O)Cc1occc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC001361600088 1373314674 /nfs/dbraw/zinc/31/46/74/1373314674.db2.gz DKYARWOMSZVDKA-UHFFFAOYSA-N -1 1 330.243 2.145 20 0 EEADMM NC(=O)c1csc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)n1 ZINC001361678225 1373328365 /nfs/dbraw/zinc/32/83/65/1373328365.db2.gz MNDABNITYWDSSV-UHFFFAOYSA-N -1 1 345.758 2.304 20 0 EEADMM NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001362161336 1373373839 /nfs/dbraw/zinc/37/38/39/1373373839.db2.gz 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ZINC001372116516 1375782720 /nfs/dbraw/zinc/78/27/20/1375782720.db2.gz ZDXNDRMAPKJRGW-CQSZACIVSA-N -1 1 333.432 2.288 20 0 EEADMM COc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001375032337 1377300470 /nfs/dbraw/zinc/30/04/70/1377300470.db2.gz LNTYMYSRZIICCE-GFCCVEGCSA-N -1 1 347.390 2.185 20 0 EEADMM Cc1cccc([C@H](C)C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001386788005 1386318892 /nfs/dbraw/zinc/31/88/92/1386318892.db2.gz WZGCHQJEDCCFSI-KGLIPLIRSA-N -1 1 341.411 2.134 20 0 EEADMM C[C@@H](CCC(C)(C)C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001387695418 1386946816 /nfs/dbraw/zinc/94/68/16/1386946816.db2.gz GKYMPRFRJGJKTC-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])Cc1ccc(F)cc1F ZINC001392272071 1389942223 /nfs/dbraw/zinc/94/22/23/1389942223.db2.gz JOJSVNRTGQTTRB-UHFFFAOYSA-N -1 1 335.354 2.269 20 0 EEADMM CC(C)(C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1)C1CCCC1 ZINC001393704018 1390517642 /nfs/dbraw/zinc/51/76/42/1390517642.db2.gz JHQACQYJTYQMHC-UHFFFAOYSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001394374442 1390679508 /nfs/dbraw/zinc/67/95/08/1390679508.db2.gz WCKPTRJAZQVPQR-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM CC1(CNC(=O)CC2CCC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001394479074 1390709385 /nfs/dbraw/zinc/70/93/85/1390709385.db2.gz OMXCCBGDDXRFFR-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCC(CC)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397009129 1391002741 /nfs/dbraw/zinc/00/27/41/1391002741.db2.gz DZWABMLNAWOHFB-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)s1 ZINC001399532753 1395212727 /nfs/dbraw/zinc/21/27/27/1395212727.db2.gz OQFSDWHPXINPCD-GFCCVEGCSA-N -1 1 347.440 2.342 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)c1ccccc1 ZINC001400302220 1396157551 /nfs/dbraw/zinc/15/75/51/1396157551.db2.gz ISWUQBFWXKMIQT-KBPBESRZSA-N -1 1 341.411 2.216 20 0 EEADMM O=C(CC1CCCC1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001401286515 1397121017 /nfs/dbraw/zinc/12/10/17/1397121017.db2.gz YTTQOLDWJHBPKO-OAHLLOKOSA-N -1 1 349.479 2.245 20 0 EEADMM CCC(CC)C(=O)NCc1ccc([C@@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001424059916 1400889908 /nfs/dbraw/zinc/88/99/08/1400889908.db2.gz CJBZTXCRVLRSOP-GFCCVEGCSA-N -1 1 345.447 2.414 20 0 EEADMM C[C@H](CNC(=O)CCCC(F)(F)F)N(C)C(=O)c1ncccc1[O-] ZINC001424311988 1401049371 /nfs/dbraw/zinc/04/93/71/1401049371.db2.gz NLGSWGUBFQYXDT-SNVBAGLBSA-N -1 1 347.337 2.097 20 0 EEADMM Cc1n[nH]c(C(=O)NCC[C@H](C)NCc2ncc(C(C)(C)C)o2)c1[O-] ZINC001424571644 1401182204 /nfs/dbraw/zinc/18/22/04/1401182204.db2.gz PBZBKHYTIJNSQY-JTQLQIEISA-N -1 1 349.435 2.007 20 0 EEADMM CN(CC(C)(C)CNC(=O)C1=CCCC1)C(=O)c1ncccc1[O-] ZINC001426520473 1402079429 /nfs/dbraw/zinc/07/94/29/1402079429.db2.gz HCGITYHMXFAAQT-UHFFFAOYSA-N -1 1 331.416 2.112 20 0 EEADMM CN(C(=O)C(C)(C)C1CC1)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427422645 1402408095 /nfs/dbraw/zinc/40/80/95/1402408095.db2.gz IXMVXNGJVMUEKV-CQSZACIVSA-N -1 1 345.443 2.190 20 0 EEADMM CCCN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)[C@@H](C)CC ZINC001431812038 1403132363 /nfs/dbraw/zinc/13/23/63/1403132363.db2.gz MJUMPOQIAUQLKJ-LBPRGKRZSA-N -1 1 348.447 2.074 20 0 EEADMM C[C@H](C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1)c1ccsc1 ZINC001432162572 1403209920 /nfs/dbraw/zinc/20/99/20/1403209920.db2.gz FHKBNQSURDQLFI-NSHDSACASA-N -1 1 345.424 2.031 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(C)cc1C)NC(=O)c1ncccc1[O-] ZINC001432794578 1403293349 /nfs/dbraw/zinc/29/33/49/1403293349.db2.gz DDQNYJIIBPCEMK-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001433584414 1403410607 /nfs/dbraw/zinc/41/06/07/1403410607.db2.gz MGVOQHHADQNATD-UHFFFAOYSA-N -1 1 338.360 2.034 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001580075257 1403821701 /nfs/dbraw/zinc/82/17/01/1403821701.db2.gz VSQBHZUCZFAYSQ-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001580075257 1403821711 /nfs/dbraw/zinc/82/17/11/1403821711.db2.gz VSQBHZUCZFAYSQ-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM CSc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580236296 1403851632 /nfs/dbraw/zinc/85/16/32/1403851632.db2.gz BAEGBMCLFCRRGZ-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM CSc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580236296 1403851637 /nfs/dbraw/zinc/85/16/37/1403851637.db2.gz BAEGBMCLFCRRGZ-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM COCc1ccccc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001591459983 1403917005 /nfs/dbraw/zinc/91/70/05/1403917005.db2.gz YNSSZCDBVYKIKH-UHFFFAOYSA-N -1 1 337.387 2.293 20 0 EEADMM COCc1ccccc1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001591459983 1403917014 /nfs/dbraw/zinc/91/70/14/1403917014.db2.gz YNSSZCDBVYKIKH-UHFFFAOYSA-N -1 1 337.387 2.293 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC001591891166 1403970424 /nfs/dbraw/zinc/97/04/24/1403970424.db2.gz WQURFGDBPPYNKD-HZMBPMFUSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC001591891166 1403970428 /nfs/dbraw/zinc/97/04/28/1403970428.db2.gz WQURFGDBPPYNKD-HZMBPMFUSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001592128151 1404000743 /nfs/dbraw/zinc/00/07/43/1404000743.db2.gz AIWFHAAVNLVJLM-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001592128151 1404000751 /nfs/dbraw/zinc/00/07/51/1404000751.db2.gz AIWFHAAVNLVJLM-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1nsc(NCCCNC(=O)C2(C)CCCC2)c1-c1nn[n-]n1 ZINC001592490943 1404701040 /nfs/dbraw/zinc/70/10/40/1404701040.db2.gz WDFCLOOJUQQCCP-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001592500851 1404704674 /nfs/dbraw/zinc/70/46/74/1404704674.db2.gz JJNZXIOCCKIPHO-UHFFFAOYSA-N -1 1 349.354 2.088 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1-c1ncc[nH]1 ZINC001592500851 1404704679 /nfs/dbraw/zinc/70/46/79/1404704679.db2.gz JJNZXIOCCKIPHO-UHFFFAOYSA-N -1 1 349.354 2.088 20 0 EEADMM Cc1nc(N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001606079300 1404764708 /nfs/dbraw/zinc/76/47/08/1404764708.db2.gz HVHGGWKANKCDED-AULYBMBSSA-N -1 1 325.351 2.462 20 0 EEADMM Cc1nc(N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001606079300 1404764718 /nfs/dbraw/zinc/76/47/18/1404764718.db2.gz HVHGGWKANKCDED-AULYBMBSSA-N -1 1 325.351 2.462 20 0 EEADMM CN(CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C(=O)[O-])cn1 ZINC001606141264 1404766295 /nfs/dbraw/zinc/76/62/95/1404766295.db2.gz KVPVWGRXOLDUPH-UHFFFAOYSA-N -1 1 338.367 2.103 20 0 EEADMM CN(Cc1cc2ccccc2o1)[C@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606147311 1404767685 /nfs/dbraw/zinc/76/76/85/1404767685.db2.gz RRWZGAFJTWPOHF-HNNXBMFYSA-N -1 1 330.384 2.330 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cnc(-c2nnn[n-]2)cn1 ZINC001606327249 1404793818 /nfs/dbraw/zinc/79/38/18/1404793818.db2.gz ZJFWVRWBDRQMSF-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cnc(-c2nn[n-]n2)cn1 ZINC001606327249 1404793822 /nfs/dbraw/zinc/79/38/22/1404793822.db2.gz ZJFWVRWBDRQMSF-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccccc1N1CC[C@H](CNc2cccnc2-c2nnn[n-]2)C1 ZINC001606335405 1404795905 /nfs/dbraw/zinc/79/59/05/1404795905.db2.gz FFCNOCZJXBNQIO-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM Fc1ccccc1N1CC[C@H](CNc2cccnc2-c2nn[n-]n2)C1 ZINC001606335405 1404795911 /nfs/dbraw/zinc/79/59/11/1404795911.db2.gz FFCNOCZJXBNQIO-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM COC(=O)c1cccc2[nH]c(NC(=O)c3ccc([O-])cc3F)nc21 ZINC000165186453 1405715827 /nfs/dbraw/zinc/71/58/27/1405715827.db2.gz RMBVUNWNPKNOHJ-UHFFFAOYSA-N -1 1 329.287 2.447 20 0 EEADMM C[C@H](C(=O)NCC1=CCN(C(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC001756772846 1409309609 /nfs/dbraw/zinc/30/96/09/1409309609.db2.gz RINQTVLBNVAPAZ-ZDUSSCGKSA-N -1 1 343.427 2.112 20 0 EEADMM O=S(=O)([N-][C@H](CO)c1ccccc1)c1cc(F)c(F)cc1F ZINC000305187227 1409799903 /nfs/dbraw/zinc/79/99/03/1409799903.db2.gz FFHNVAHDAALUDS-CYBMUJFWSA-N -1 1 331.315 2.116 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC001771645898 1409900636 /nfs/dbraw/zinc/90/06/36/1409900636.db2.gz CPMPVABKVMQLDM-LLVKDONJSA-N -1 1 335.372 2.211 20 0 EEADMM CSc1nc(CNC(=O)N[C@@H](C(C)C)C(F)(F)F)cc(=O)[n-]1 ZINC001772389011 1410162856 /nfs/dbraw/zinc/16/28/56/1410162856.db2.gz VGQMNAFFUWGREE-VIFPVBQESA-N -1 1 338.355 2.290 20 0 EEADMM CCc1nsc(N(C)CCN(C(=O)c2ncccc2[O-])C(C)C)n1 ZINC001125476875 759386307 /nfs/dbraw/zinc/38/63/07/759386307.db2.gz FSYAGTWWCSUXQZ-UHFFFAOYSA-N -1 1 349.460 2.188 20 0 EEADMM Cc1ccc(NC2(CNC(=O)c3ncccc3[O-])CCCC2)nn1 ZINC001104382284 760006595 /nfs/dbraw/zinc/00/65/95/760006595.db2.gz GUGXUZWBNUNJHF-UHFFFAOYSA-N -1 1 327.388 2.040 20 0 EEADMM Cc1cc(NC2(CNC(=O)c3ncccc3[O-])CCCC2)ncn1 ZINC001104382514 760007394 /nfs/dbraw/zinc/00/73/94/760007394.db2.gz SGRIGMVTZJOUOH-UHFFFAOYSA-N -1 1 327.388 2.040 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1cccc(F)c1F)c1ncccc1[O-] ZINC001027844263 773433609 /nfs/dbraw/zinc/43/36/09/773433609.db2.gz OTMLXJKOOZRIOY-CYBMUJFWSA-N -1 1 347.365 2.460 20 0 EEADMM CCC(=O)NC1CCC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000979939985 773585503 /nfs/dbraw/zinc/58/55/03/773585503.db2.gz NFCXHYBZWLEHDK-UHFFFAOYSA-N -1 1 348.447 2.181 20 0 EEADMM CC1(C)CC[C@H](CNC(=O)c2ncccc2[O-])N(Cc2ccon2)C1 ZINC001089633086 773603233 /nfs/dbraw/zinc/60/32/33/773603233.db2.gz DGGIBXZOLUONEB-CQSZACIVSA-N -1 1 344.415 2.196 20 0 EEADMM CN(CC(=O)N[N-]C(=O)c1cccs1)Cc1ccc(Cl)s1 ZINC000066864451 774007843 /nfs/dbraw/zinc/00/78/43/774007843.db2.gz WWNFLVGXCWERQO-UHFFFAOYSA-N -1 1 343.861 2.356 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000942758563 783146953 /nfs/dbraw/zinc/14/69/53/783146953.db2.gz OOHIUSSMZPLTRF-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000981207210 776788598 /nfs/dbraw/zinc/78/85/98/776788598.db2.gz HGORTXYAVBQIFZ-WCQYABFASA-N -1 1 345.424 2.177 20 0 EEADMM O=C(C=C1CCCCC1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000939630380 777025657 /nfs/dbraw/zinc/02/56/57/777025657.db2.gz PUPUYSKTTHUAPF-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM O=C(NNc1ccnc(F)c1)c1cc(Br)ccc1[O-] ZINC000182535155 779213885 /nfs/dbraw/zinc/21/38/85/779213885.db2.gz PMXQJJRHXNJTEC-UHFFFAOYSA-N -1 1 326.125 2.446 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC[C@H]2C[C@]23CCOC3)c(=O)[n-]1 ZINC000893737304 780140447 /nfs/dbraw/zinc/14/04/47/780140447.db2.gz IFQDBMQZKANAPL-BZNIZROVSA-N -1 1 338.429 2.115 20 0 EEADMM COCc1nc(N(C)CCc2nc(-c3ccccc3)no2)cc(=O)[n-]1 ZINC000893826711 780226107 /nfs/dbraw/zinc/22/61/07/780226107.db2.gz KMEGWJZHSPHGRT-UHFFFAOYSA-N -1 1 341.371 2.058 20 0 EEADMM CCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060862093 790805131 /nfs/dbraw/zinc/80/51/31/790805131.db2.gz ZHDUCKHVRMMBAV-XFXZXTDPSA-N -1 1 347.440 2.280 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1cc(-c2ccccn2)no1 ZINC000073428460 790811152 /nfs/dbraw/zinc/81/11/52/790811152.db2.gz DXTIIMWCIWERLH-UHFFFAOYSA-N -1 1 342.384 2.256 20 0 EEADMM C#CCOc1ccc(NC(=O)NCCn2c(CC)n[n-]c2=S)cc1 ZINC000084322418 790891904 /nfs/dbraw/zinc/89/19/04/790891904.db2.gz PEHRNEHCKCGUTI-UHFFFAOYSA-N -1 1 345.428 2.337 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCCCc2cnoc2)c(=O)[n-]1 ZINC000816229971 783804660 /nfs/dbraw/zinc/80/46/60/783804660.db2.gz WDKXQVOTEQTFMD-UHFFFAOYSA-N -1 1 337.401 2.309 20 0 EEADMM O=C(CCNS(=O)(=O)/C=C\c1ccccc1)[N-]Oc1ccccc1 ZINC000816683399 784195154 /nfs/dbraw/zinc/19/51/54/784195154.db2.gz DDQQBEGJISXQMQ-OWBHPGMISA-N -1 1 346.408 2.077 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H](NC(=O)c1c([O-])cccc1Cl)C(N)=O ZINC000816799893 784268616 /nfs/dbraw/zinc/26/86/16/784268616.db2.gz PEBRZYITUZCIOD-ZUZCIYMTSA-N -1 1 332.787 2.433 20 0 EEADMM O=C(/C=C/CCc1ccccc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907475409 784644487 /nfs/dbraw/zinc/64/44/87/784644487.db2.gz JSZFPFKSHRVZIC-VZUFXWRPSA-N -1 1 329.429 2.005 20 0 EEADMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)nc1F)C1CCOCC1 ZINC000907456724 784662237 /nfs/dbraw/zinc/66/22/37/784662237.db2.gz HDJLKIJSTQPRGQ-UHFFFAOYSA-N -1 1 334.388 2.091 20 0 EEADMM O=C(c1cccc2ccsc21)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479721 784687606 /nfs/dbraw/zinc/68/76/06/784687606.db2.gz MEXUEFHUSARELA-LLVKDONJSA-N -1 1 331.426 2.345 20 0 EEADMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C1CCC1)C(F)(F)F ZINC000817489600 784793568 /nfs/dbraw/zinc/79/35/68/784793568.db2.gz AHAPSCIREHSADA-GFCCVEGCSA-N -1 1 326.318 2.423 20 0 EEADMM CC(C)OCC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492685 784795216 /nfs/dbraw/zinc/79/52/16/784795216.db2.gz KUKDIHSTSDNFKK-GFCCVEGCSA-N -1 1 344.333 2.048 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCc2cc3n(n2)CCC3)c(=O)[n-]1 ZINC000817476289 784806493 /nfs/dbraw/zinc/80/64/93/784806493.db2.gz LBMNNEWLUMQHKY-UHFFFAOYSA-N -1 1 348.428 2.031 20 0 EEADMM CC(C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817571538 784842802 /nfs/dbraw/zinc/84/28/02/784842802.db2.gz ROZMPZHEQDYLNT-NSHDSACASA-N -1 1 329.322 2.214 20 0 EEADMM C[C@H]1CCCN(C(=O)CC2(C)CC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945790192 784846176 /nfs/dbraw/zinc/84/61/76/784846176.db2.gz SMIPNRADIRFVNE-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(CC1CCC1)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945911287 785083921 /nfs/dbraw/zinc/08/39/21/785083921.db2.gz DBKONBFOPVOBIB-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000908295947 785316610 /nfs/dbraw/zinc/31/66/10/785316610.db2.gz GXVALQRQAAGBAK-KGLIPLIRSA-N -1 1 329.400 2.233 20 0 EEADMM Cn1cc([C@H]2CN(C(=O)c3cnc(C4CC4)[n-]c3=O)CC2(C)C)cn1 ZINC000908503766 785488059 /nfs/dbraw/zinc/48/80/59/785488059.db2.gz GHYYHDGTPSEJDE-CQSZACIVSA-N -1 1 341.415 2.059 20 0 EEADMM CCn1nc(C)c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000819598386 785609932 /nfs/dbraw/zinc/60/99/32/785609932.db2.gz NKUNIISERUSIIM-UHFFFAOYSA-N -1 1 328.294 2.261 20 0 EEADMM CCCCC[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908809786 785741750 /nfs/dbraw/zinc/74/17/50/785741750.db2.gz ZEVQPQBURZPGGU-KRWDZBQOSA-N -1 1 347.459 2.377 20 0 EEADMM CCCCC[C@H](NC(=O)NCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908809786 785741758 /nfs/dbraw/zinc/74/17/58/785741758.db2.gz ZEVQPQBURZPGGU-KRWDZBQOSA-N -1 1 347.459 2.377 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)C(=O)[O-] ZINC000908820678 785756626 /nfs/dbraw/zinc/75/66/26/785756626.db2.gz UZTMHFXANJUWLH-SSBHQGKESA-N -1 1 337.395 2.147 20 0 EEADMM CC[C@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1cc(F)ccc1F ZINC000908823294 785758777 /nfs/dbraw/zinc/75/87/77/785758777.db2.gz NBLXGNLHCYXZBD-NHYWBVRUSA-N -1 1 340.370 2.329 20 0 EEADMM CCC(C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2 ZINC000996158323 786099512 /nfs/dbraw/zinc/09/95/12/786099512.db2.gz SHFCEUNZLWMCNL-RDBSUJKOSA-N -1 1 345.443 2.475 20 0 EEADMM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)CCc1cnc[nH]1)CCC2 ZINC000909952489 786358072 /nfs/dbraw/zinc/35/80/72/786358072.db2.gz YGOXELMTJJLYRW-AWEZNQCLSA-N -1 1 327.384 2.277 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000909985012 786375547 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CCOc1cc(C(=O)N2CCC[C@H](CC(N)=O)C2)cc(Cl)c1[O-] ZINC000186846428 528213924 /nfs/dbraw/zinc/21/39/24/528213924.db2.gz WONRRJXRKHYASZ-SNVBAGLBSA-N -1 1 340.807 2.172 20 0 EEADMM CC(C)CSCCC[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000159034264 528218768 /nfs/dbraw/zinc/21/87/68/528218768.db2.gz PRFJUGUWDBYGCP-UHFFFAOYSA-N -1 1 325.887 2.131 20 0 EEADMM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000451949004 535546307 /nfs/dbraw/zinc/54/63/07/535546307.db2.gz VVJGESVEXBGEQU-PWSUYJOCSA-N -1 1 349.811 2.489 20 0 EEADMM O=C(Nc1ccccc1N1CCCC1)N1CCC(c2nn[n-]n2)CC1 ZINC000738189617 578002998 /nfs/dbraw/zinc/00/29/98/578002998.db2.gz IQASHNANBMPDLX-UHFFFAOYSA-N -1 1 341.419 2.211 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](c3cnn(C)c3)C2)c(C)c1C(=O)[O-] ZINC000738233749 578005201 /nfs/dbraw/zinc/00/52/01/578005201.db2.gz BDNLBBPAQPCJDN-STQMWFEESA-N -1 1 344.415 2.124 20 0 EEADMM c1cn2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)nc2s1 ZINC000738438104 578015224 /nfs/dbraw/zinc/01/52/24/578015224.db2.gz WKLARTBDMZOPSK-UHFFFAOYSA-N -1 1 349.383 2.131 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000725899594 576115817 /nfs/dbraw/zinc/11/58/17/576115817.db2.gz CRTAGKOISGLHLO-LBPRGKRZSA-N -1 1 335.404 2.164 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CCC(C)(C)CC2)cc(C(=O)[O-])c1 ZINC000737664548 576337141 /nfs/dbraw/zinc/33/71/41/576337141.db2.gz CZKMIPLLQVQJNF-UHFFFAOYSA-N -1 1 348.399 2.232 20 0 EEADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000732279938 577165039 /nfs/dbraw/zinc/16/50/39/577165039.db2.gz QGBZOQALMJDXLV-NSHDSACASA-N -1 1 327.340 2.235 20 0 EEADMM O=C(OCCCCO)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000733386010 577228241 /nfs/dbraw/zinc/22/82/41/577228241.db2.gz NQSJHGFTRNNQHD-UHFFFAOYSA-N -1 1 349.408 2.417 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000773315335 577332363 /nfs/dbraw/zinc/33/23/63/577332363.db2.gz QVGWYWXDSGRMJO-DUMNWFOQSA-N -1 1 334.763 2.243 20 0 EEADMM C[C@@H]1Oc2ccccc2N(CCC(=O)[N-]Oc2ccccc2)C1=O ZINC000773465940 577344948 /nfs/dbraw/zinc/34/49/48/577344948.db2.gz MZTHYOZAIHJMCN-ZDUSSCGKSA-N -1 1 326.352 2.301 20 0 EEADMM COc1ccccc1CN(C)C(=O)COC(=O)c1ccc([O-])cc1F ZINC000773577199 577352292 /nfs/dbraw/zinc/35/22/92/577352292.db2.gz SWORVGGBUBDHLY-UHFFFAOYSA-N -1 1 347.342 2.355 20 0 EEADMM Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)n(-c2nc(C)cc(C)n2)n1 ZINC000775465140 577437722 /nfs/dbraw/zinc/43/77/22/577437722.db2.gz SIAHUUGOCHHZQI-AWEZNQCLSA-N -1 1 346.391 2.167 20 0 EEADMM COC(=O)c1c[nH]c(SCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000776434578 577459838 /nfs/dbraw/zinc/45/98/38/577459838.db2.gz WLFZXFXMOVMJSS-UHFFFAOYSA-N -1 1 332.337 2.301 20 0 EEADMM CC(=CC(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(F)cc1 ZINC000776565037 577462553 /nfs/dbraw/zinc/46/25/53/577462553.db2.gz QTIDOOVWJJDFKN-KJJQSCHISA-N -1 1 333.392 2.059 20 0 EEADMM Cn1[n-]c(COC(=O)CSc2cc(Cl)ccc2Cl)nc1=O ZINC000765391625 577500152 /nfs/dbraw/zinc/50/01/52/577500152.db2.gz FIXUEKVGQZKPGX-UHFFFAOYSA-N -1 1 348.211 2.251 20 0 EEADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000768330559 577553924 /nfs/dbraw/zinc/55/39/24/577553924.db2.gz PSINOKQWRNXLFS-MRXNPFEDSA-N -1 1 347.459 2.278 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc(C(=O)[O-])c1C ZINC000769867765 577586113 /nfs/dbraw/zinc/58/61/13/577586113.db2.gz HREKAJTZYWWRAZ-UHFFFAOYSA-N -1 1 349.412 2.413 20 0 EEADMM COc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1F ZINC000770068872 577590014 /nfs/dbraw/zinc/59/00/14/577590014.db2.gz UGXRPEVZCNKPEB-UHFFFAOYSA-N -1 1 344.302 2.144 20 0 EEADMM COc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1F ZINC000770068872 577590015 /nfs/dbraw/zinc/59/00/15/577590015.db2.gz UGXRPEVZCNKPEB-UHFFFAOYSA-N -1 1 344.302 2.144 20 0 EEADMM COc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OCC(F)F)CC1=O ZINC000759334644 577641197 /nfs/dbraw/zinc/64/11/97/577641197.db2.gz NHLJGINGGUEFPV-MRVPVSSYSA-N -1 1 348.733 2.014 20 0 EEADMM CC1(C)OC[C@H](CNC(=O)c2cc(Br)ccc2[O-])O1 ZINC000761679965 577687585 /nfs/dbraw/zinc/68/75/85/577687585.db2.gz AIDYXACKCDMQPB-VIFPVBQESA-N -1 1 330.178 2.036 20 0 EEADMM COc1ccc([C@H](O)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000762341675 577699504 /nfs/dbraw/zinc/69/95/04/577699504.db2.gz LFLVKLJMLKDKBW-CQSZACIVSA-N -1 1 345.399 2.086 20 0 EEADMM CCOC(=O)Cc1nnc([N-]C(=O)c2nc(Cl)sc2C)s1 ZINC000762899000 577710829 /nfs/dbraw/zinc/71/08/29/577710829.db2.gz LDENBSSWSDPPKA-UHFFFAOYSA-N -1 1 346.821 2.314 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CSCCS1 ZINC000755502551 577825887 /nfs/dbraw/zinc/82/58/87/577825887.db2.gz QLAOWEAUHUKMCP-JTQLQIEISA-N -1 1 327.475 2.192 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCc3n[nH]cc3C2)c1 ZINC000757811054 577864817 /nfs/dbraw/zinc/86/48/17/577864817.db2.gz YWZADTDBOSVJQA-AWEZNQCLSA-N -1 1 328.368 2.209 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000745298626 577911626 /nfs/dbraw/zinc/91/16/26/577911626.db2.gz UFEIQWJIBGZSEN-UHFFFAOYSA-N -1 1 340.379 2.215 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(n2cccn2)CC1 ZINC000747369087 577943141 /nfs/dbraw/zinc/94/31/41/577943141.db2.gz AGCWAXIUICJOGH-UHFFFAOYSA-N -1 1 329.404 2.288 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](SC)C2)o1 ZINC000748067552 577954475 /nfs/dbraw/zinc/95/44/75/577954475.db2.gz PGLZKZUHEOSGAG-UWVGGRQHSA-N -1 1 333.431 2.019 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCc1cccc(Cl)c1)CC2 ZINC000739277679 578046576 /nfs/dbraw/zinc/04/65/76/578046576.db2.gz GDDDKGFCGCJQJB-AWEZNQCLSA-N -1 1 336.819 2.143 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1ccc(O)c(Cl)c1)Cc1ccc(O)cc1 ZINC000739396094 578051976 /nfs/dbraw/zinc/05/19/76/578051976.db2.gz CHMWBFSXNZBMRA-LBPRGKRZSA-N -1 1 349.770 2.425 20 0 EEADMM CC(C)(C)c1nsc([N-]C(=O)c2sccc2-c2nn[nH]n2)n1 ZINC000735655570 578162830 /nfs/dbraw/zinc/16/28/30/578162830.db2.gz QEZYJTKUXIVVOP-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM C[C@H](Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H](C)[NH+]1CCOCC1 ZINC000736139741 578182823 /nfs/dbraw/zinc/18/28/23/578182823.db2.gz QUEZNRGMKZUWJX-QWRGUYRKSA-N -1 1 336.827 2.041 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC[C@H](c2ccco2)C1 ZINC000736213989 578187160 /nfs/dbraw/zinc/18/71/60/578187160.db2.gz HITWFVWJFFMCTG-BBRMVZONSA-N -1 1 342.395 2.472 20 0 EEADMM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000736360765 578198369 /nfs/dbraw/zinc/19/83/69/578198369.db2.gz AZPLYFYIUDTWJZ-MRXNPFEDSA-N -1 1 347.459 2.402 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000736412092 578202397 /nfs/dbraw/zinc/20/23/97/578202397.db2.gz LKEWPOVCOWWAFK-PVAVHDDUSA-N -1 1 332.444 2.480 20 0 EEADMM CCCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736479820 578206660 /nfs/dbraw/zinc/20/66/60/578206660.db2.gz ISAQMCABMAWEDU-UHFFFAOYSA-N -1 1 340.362 2.453 20 0 EEADMM CCCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736479820 578206661 /nfs/dbraw/zinc/20/66/61/578206661.db2.gz ISAQMCABMAWEDU-UHFFFAOYSA-N -1 1 340.362 2.453 20 0 EEADMM C[C@@H](CN(CN1C[C@H](c2cccc(F)c2)CC1=O)C1CC1)C(=O)[O-] ZINC000736583103 578213033 /nfs/dbraw/zinc/21/30/33/578213033.db2.gz KJNFWYODDQBLRO-GXTWGEPZSA-N -1 1 334.391 2.284 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1nc2c(s1)CCCC2)C(=O)[O-] ZINC000736961349 578231292 /nfs/dbraw/zinc/23/12/92/578231292.db2.gz AHMHSFGUOGDFEV-HNNXBMFYSA-N -1 1 325.434 2.193 20 0 EEADMM CCN(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000737069257 578236174 /nfs/dbraw/zinc/23/61/74/578236174.db2.gz PJPBTWYNDYWOLO-ROUUACIJSA-N -1 1 340.423 2.492 20 0 EEADMM COc1ccc(C[C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000737087606 578237353 /nfs/dbraw/zinc/23/73/53/578237353.db2.gz NLRZDZHPHWKHRF-NSHDSACASA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc(C[C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000737087606 578237354 /nfs/dbraw/zinc/23/73/54/578237354.db2.gz NLRZDZHPHWKHRF-NSHDSACASA-N -1 1 340.387 2.322 20 0 EEADMM COc1ccc(CCCNc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000737088660 578237527 /nfs/dbraw/zinc/23/75/27/578237527.db2.gz NRTAQVHQQFPNDK-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM COc1ccc(CCCNc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000737088660 578237528 /nfs/dbraw/zinc/23/75/28/578237528.db2.gz NRTAQVHQQFPNDK-UHFFFAOYSA-N -1 1 340.387 2.324 20 0 EEADMM CSCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737181827 578242731 /nfs/dbraw/zinc/24/27/31/578242731.db2.gz MDDYRUQRGOTQKZ-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737181827 578242732 /nfs/dbraw/zinc/24/27/32/578242732.db2.gz MDDYRUQRGOTQKZ-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000737190713 578242878 /nfs/dbraw/zinc/24/28/78/578242878.db2.gz ZXLSBGLOLSEOGD-SECBINFHSA-N -1 1 344.444 2.343 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737423644 578256768 /nfs/dbraw/zinc/25/67/68/578256768.db2.gz VVJXAKBMKDLRAZ-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737423644 578256769 /nfs/dbraw/zinc/25/67/69/578256769.db2.gz VVJXAKBMKDLRAZ-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ncsc1CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737504258 578261307 /nfs/dbraw/zinc/26/13/07/578261307.db2.gz ZIESHUMMTIVALB-UHFFFAOYSA-N -1 1 338.400 2.211 20 0 EEADMM Cc1ncsc1CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737504258 578261308 /nfs/dbraw/zinc/26/13/08/578261308.db2.gz ZIESHUMMTIVALB-UHFFFAOYSA-N -1 1 338.400 2.211 20 0 EEADMM Clc1nsc(N2CCC(n3ccnc3)CC2)c1-c1nn[n-]n1 ZINC000737585043 578265744 /nfs/dbraw/zinc/26/57/44/578265744.db2.gz XEVUVLZTUNOSMB-UHFFFAOYSA-N -1 1 336.812 2.015 20 0 EEADMM COc1ccc([C@H]2CCCCCN2CC(=O)NCCC(=O)[O-])cc1 ZINC000737986999 578275472 /nfs/dbraw/zinc/27/54/72/578275472.db2.gz PBALQGDBNINPDF-MRXNPFEDSA-N -1 1 334.416 2.203 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738002910 578276093 /nfs/dbraw/zinc/27/60/93/578276093.db2.gz UOZQJAMKFWOBOG-LBPRGKRZSA-N -1 1 348.288 2.295 20 0 EEADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738002910 578276094 /nfs/dbraw/zinc/27/60/94/578276094.db2.gz UOZQJAMKFWOBOG-LBPRGKRZSA-N -1 1 348.288 2.295 20 0 EEADMM CS(=O)(=O)Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821932804 607314376 /nfs/dbraw/zinc/31/43/76/607314376.db2.gz RQOANHGZHYWPCO-UHFFFAOYSA-N -1 1 349.441 2.085 20 0 EEADMM Cc1nc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCCCCC2)no1 ZINC000822432020 599422973 /nfs/dbraw/zinc/42/29/73/599422973.db2.gz TXGCFHGAHWEZKC-UHFFFAOYSA-N -1 1 343.391 2.490 20 0 EEADMM Cc1nc(C2(NCc3ccc(-c4nn[n-]n4)o3)CCCCCC2)no1 ZINC000822432020 599422977 /nfs/dbraw/zinc/42/29/77/599422977.db2.gz TXGCFHGAHWEZKC-UHFFFAOYSA-N -1 1 343.391 2.490 20 0 EEADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820281100 599685587 /nfs/dbraw/zinc/68/55/87/599685587.db2.gz QVRAGJJIWMEUOE-SSDOTTSWSA-N -1 1 344.828 2.178 20 0 EEADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820281100 599685588 /nfs/dbraw/zinc/68/55/88/599685588.db2.gz QVRAGJJIWMEUOE-SSDOTTSWSA-N -1 1 344.828 2.178 20 0 EEADMM COCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000831541509 600736966 /nfs/dbraw/zinc/73/69/66/600736966.db2.gz YOUWPCNNKXAGFF-KRWDZBQOSA-N -1 1 346.358 2.326 20 0 EEADMM CC(C)c1ncc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC000820206290 607498140 /nfs/dbraw/zinc/49/81/40/607498140.db2.gz HOMXNTCMVKPEMS-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1ncc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC000820206290 607498142 /nfs/dbraw/zinc/49/81/42/607498142.db2.gz HOMXNTCMVKPEMS-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CN(C)[C@@H](CNC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000830585249 601292827 /nfs/dbraw/zinc/29/28/27/601292827.db2.gz UYLSCTHBEXWOTD-HNNXBMFYSA-N -1 1 347.802 2.466 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](c2ccccc2)[C@H]1C)C(=O)[O-] ZINC000826787775 601328670 /nfs/dbraw/zinc/32/86/70/601328670.db2.gz UOPRTRYWOMYHOO-PVAVHDDUSA-N -1 1 332.444 2.480 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000833267077 601336304 /nfs/dbraw/zinc/33/63/04/601336304.db2.gz XHLMIEBBXYFTFS-UHFFFAOYSA-N -1 1 328.372 2.448 20 0 EEADMM CCc1ccccc1NC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830282026 601337938 /nfs/dbraw/zinc/33/79/38/601337938.db2.gz IXMMOEPAEPGBLW-ZDUSSCGKSA-N -1 1 335.473 2.427 20 0 EEADMM C[C@H](C(=O)Nc1cc(Cl)ccc1F)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425323 601518185 /nfs/dbraw/zinc/51/81/85/601518185.db2.gz YRBOGXNUNZGHND-KKZNHRDASA-N -1 1 328.771 2.459 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000828437687 601532549 /nfs/dbraw/zinc/53/25/49/601532549.db2.gz AJMIZCFRWJAUOB-NXEZZACHSA-N -1 1 330.306 2.296 20 0 EEADMM C[C@@H]1CCCCN1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000828257624 601634297 /nfs/dbraw/zinc/63/42/97/601634297.db2.gz GXDINBBLVSSKBG-CXAGYDPISA-N -1 1 343.427 2.154 20 0 EEADMM Cc1cc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)n[nH]1 ZINC000832884047 601682376 /nfs/dbraw/zinc/68/23/76/601682376.db2.gz TYBJFXCXXSGACF-UHFFFAOYSA-N -1 1 325.271 2.199 20 0 EEADMM C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762208 607529057 /nfs/dbraw/zinc/52/90/57/607529057.db2.gz FFRJMRJPJVFIIB-DJNLSKAYSA-N -1 1 331.376 2.411 20 0 EEADMM C[C@H](c1ccc(F)cc1)[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762208 607529058 /nfs/dbraw/zinc/52/90/58/607529058.db2.gz FFRJMRJPJVFIIB-DJNLSKAYSA-N -1 1 331.376 2.411 20 0 EEADMM CC(C)[C@H]1CCN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000826736504 601882672 /nfs/dbraw/zinc/88/26/72/601882672.db2.gz UYRRTXQAARSBFL-AWEZNQCLSA-N -1 1 345.399 2.089 20 0 EEADMM CCN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829597572 601943959 /nfs/dbraw/zinc/94/39/59/601943959.db2.gz QKWMJWZNJIQZBH-QGZVFWFLSA-N -1 1 347.440 2.446 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000832225641 602018670 /nfs/dbraw/zinc/01/86/70/602018670.db2.gz BDAPVPIEUSXYHW-CZUORRHYSA-N -1 1 343.383 2.170 20 0 EEADMM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1 ZINC000833124438 602047427 /nfs/dbraw/zinc/04/74/27/602047427.db2.gz APXFXBOYNNCQKM-RISCZKNCSA-N -1 1 333.775 2.425 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2O)C1 ZINC000828016717 602053313 /nfs/dbraw/zinc/05/33/13/602053313.db2.gz RWIFITLEQHHKCG-ZDUSSCGKSA-N -1 1 328.162 2.092 20 0 EEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1C[C@@H]2CCC[C@@H]21 ZINC000830901781 602207612 /nfs/dbraw/zinc/20/76/12/602207612.db2.gz LYOQIGQHYPAXQE-GRDNDAEWSA-N -1 1 341.411 2.206 20 0 EEADMM Cc1nnc(SCCC(=O)NCCc2ccc(NC(=O)[O-])cc2)[nH]1 ZINC000830893876 603456934 /nfs/dbraw/zinc/45/69/34/603456934.db2.gz PMPPPVQOOMZWKS-UHFFFAOYSA-N -1 1 349.416 2.044 20 0 EEADMM COc1cccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccn3)[nH]n2)c1 ZINC000832510523 604278371 /nfs/dbraw/zinc/27/83/71/604278371.db2.gz RXVQDVWSPBYIIZ-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM Cc1cc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC000832883589 604503415 /nfs/dbraw/zinc/50/34/15/604503415.db2.gz YDIFLSQMDUMOQD-CQSZACIVSA-N -1 1 330.388 2.369 20 0 EEADMM Cc1cnc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000833753851 604618764 /nfs/dbraw/zinc/61/87/64/604618764.db2.gz HARDRXFYOHZAJN-GOSISDBHSA-N -1 1 329.400 2.192 20 0 EEADMM CCOc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1C ZINC000833660736 604688233 /nfs/dbraw/zinc/68/82/33/604688233.db2.gz SBMRACIKGKCRSO-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM C[C@@H](c1cccnc1)N(C)C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833548642 604913147 /nfs/dbraw/zinc/91/31/47/604913147.db2.gz GEWYEDKAIUYABG-XJKSGUPXSA-N -1 1 330.384 2.213 20 0 EEADMM C[C@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000833549555 604935736 /nfs/dbraw/zinc/93/57/36/604935736.db2.gz DBHJUSXTNISLMC-CYBMUJFWSA-N -1 1 348.447 2.017 20 0 EEADMM CCc1nc(NC(=O)c2nnc3ccccc3c2O)sc1C(=O)[O-] ZINC000833675315 605008928 /nfs/dbraw/zinc/00/89/28/605008928.db2.gz LZYJQYUUVXUORP-UHFFFAOYSA-N -1 1 344.352 2.305 20 0 EEADMM C[C@@H](CCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833514842 605047481 /nfs/dbraw/zinc/04/74/81/605047481.db2.gz CFKAPGRESIRDKB-JKSUJKDBSA-N -1 1 347.459 2.371 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC1(C)CCCCC1 ZINC000833624987 605056421 /nfs/dbraw/zinc/05/64/21/605056421.db2.gz MJTWVCGPEGODBS-AWEZNQCLSA-N -1 1 325.453 2.147 20 0 EEADMM Cc1c(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cccc1N(C)C ZINC000833742274 605080426 /nfs/dbraw/zinc/08/04/26/605080426.db2.gz PPPPNGLTQLIBPG-CYBMUJFWSA-N -1 1 348.447 2.074 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000833623156 605115810 /nfs/dbraw/zinc/11/58/10/605115810.db2.gz DXLIPBJZWQVPSE-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCc2sccc21 ZINC000833626190 605115965 /nfs/dbraw/zinc/11/59/65/605115965.db2.gz YBUNWZUEDJNDTG-JSGCOSHPSA-N -1 1 336.457 2.175 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833610874 605137523 /nfs/dbraw/zinc/13/75/23/605137523.db2.gz YKUCSEYZIFIHSA-KFWWJZLASA-N -1 1 325.453 2.003 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CNC(C)(C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833638038 605171314 /nfs/dbraw/zinc/17/13/14/605171314.db2.gz HKKVXBNQDOQEOR-MEBBXXQBSA-N -1 1 342.386 2.405 20 0 EEADMM C[C@H]1CC[C@@H](C(N)=O)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833604419 605208778 /nfs/dbraw/zinc/20/87/78/605208778.db2.gz FJIMYSIJIDHOPN-SMDDNHRTSA-N -1 1 343.383 2.126 20 0 EEADMM Cc1csc(N2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)C[C@@H]2C)n1 ZINC000833580764 605333569 /nfs/dbraw/zinc/33/35/69/605333569.db2.gz SGWNWMPLDQPCJD-AAEUAGOBSA-N -1 1 337.445 2.110 20 0 EEADMM CC(=O)N1CC[C@H](CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833392109 605383713 /nfs/dbraw/zinc/38/37/13/605383713.db2.gz ZADCLJFOZGHAFV-IAQYHMDHSA-N -1 1 342.798 2.405 20 0 EEADMM C/C(=C/c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833382102 605474620 /nfs/dbraw/zinc/47/46/20/605474620.db2.gz BWKVXCLPEHVIEB-IRVMHKCDSA-N -1 1 330.428 2.406 20 0 EEADMM COc1cc(O)cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000833728598 605597215 /nfs/dbraw/zinc/59/72/15/605597215.db2.gz IIORVQNJXWBYJL-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000822352150 606139481 /nfs/dbraw/zinc/13/94/81/606139481.db2.gz VCMGSWFHVFFWHA-SFHVURJKSA-N -1 1 346.394 2.291 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822352150 606139482 /nfs/dbraw/zinc/13/94/82/606139482.db2.gz VCMGSWFHVFFWHA-SFHVURJKSA-N -1 1 346.394 2.291 20 0 EEADMM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820697783 606195416 /nfs/dbraw/zinc/19/54/16/606195416.db2.gz MDOAFKZRDGVECM-JQWIXIFHSA-N -1 1 331.376 2.106 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CSc2ccccc21 ZINC000823294882 606298929 /nfs/dbraw/zinc/29/89/29/606298929.db2.gz VXBMMVVNDRFOMU-NSHDSACASA-N -1 1 339.380 2.400 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cccc(-c3nnn[n-]3)n2)C12CCCC2 ZINC000821362065 606468563 /nfs/dbraw/zinc/46/85/63/606468563.db2.gz XYNLCOWBFHAVLS-ZIAGYGMSSA-N -1 1 328.420 2.436 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cccc(-c3nn[n-]n3)n2)C12CCCC2 ZINC000821362065 606468564 /nfs/dbraw/zinc/46/85/64/606468564.db2.gz XYNLCOWBFHAVLS-ZIAGYGMSSA-N -1 1 328.420 2.436 20 0 EEADMM FC(F)Cn1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000822732909 606471092 /nfs/dbraw/zinc/47/10/92/606471092.db2.gz OJDMLRXKLOHADZ-UHFFFAOYSA-N -1 1 326.698 2.120 20 0 EEADMM FC(F)Cn1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000822732909 606471094 /nfs/dbraw/zinc/47/10/94/606471094.db2.gz OJDMLRXKLOHADZ-UHFFFAOYSA-N -1 1 326.698 2.120 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)on1 ZINC000822199055 606526706 /nfs/dbraw/zinc/52/67/06/606526706.db2.gz URPYNCSZKGXNMP-SECBINFHSA-N -1 1 330.373 2.202 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)on1 ZINC000822199055 606526709 /nfs/dbraw/zinc/52/67/09/606526709.db2.gz URPYNCSZKGXNMP-SECBINFHSA-N -1 1 330.373 2.202 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(C)CC1 ZINC000822535595 606530986 /nfs/dbraw/zinc/53/09/86/606530986.db2.gz XURGFTOJGXQOTO-UHFFFAOYSA-N -1 1 326.360 2.089 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(C)CC1 ZINC000822535595 606530987 /nfs/dbraw/zinc/53/09/87/606530987.db2.gz XURGFTOJGXQOTO-UHFFFAOYSA-N -1 1 326.360 2.089 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938915 606648860 /nfs/dbraw/zinc/64/88/60/606648860.db2.gz OOGLYUOLZSSLRR-CQSZACIVSA-N -1 1 331.376 2.043 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938915 606648861 /nfs/dbraw/zinc/64/88/61/606648861.db2.gz OOGLYUOLZSSLRR-CQSZACIVSA-N -1 1 331.376 2.043 20 0 EEADMM COc1cccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000821864343 606979149 /nfs/dbraw/zinc/97/91/49/606979149.db2.gz XTOPVGFWFDVSKT-UHFFFAOYSA-N -1 1 341.396 2.356 20 0 EEADMM COc1cccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000821864343 606979151 /nfs/dbraw/zinc/97/91/51/606979151.db2.gz XTOPVGFWFDVSKT-UHFFFAOYSA-N -1 1 341.396 2.356 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(-c2cccs2)on1 ZINC000823379783 607107244 /nfs/dbraw/zinc/10/72/44/607107244.db2.gz IMPKMAFGJGITHT-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(-c2cccs2)on1 ZINC000823379783 607107245 /nfs/dbraw/zinc/10/72/45/607107245.db2.gz IMPKMAFGJGITHT-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(F)cc1[O-] ZINC000820541741 607159861 /nfs/dbraw/zinc/15/98/61/607159861.db2.gz INQXWRJJTSBXGY-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM CCc1noc(C)c1[N-]C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825776016 607862037 /nfs/dbraw/zinc/86/20/37/607862037.db2.gz CMCBXXPEQCPSJJ-UHFFFAOYSA-N -1 1 333.739 2.026 20 0 EEADMM C[C@@H](C1CC1)N(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000824377585 607864200 /nfs/dbraw/zinc/86/42/00/607864200.db2.gz HVSHRXFHPXVIAK-JTQLQIEISA-N -1 1 345.378 2.174 20 0 EEADMM C[C@@H](C1CC1)N(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000824377585 607864201 /nfs/dbraw/zinc/86/42/01/607864201.db2.gz HVSHRXFHPXVIAK-JTQLQIEISA-N -1 1 345.378 2.174 20 0 EEADMM Oc1ccc2c(c1)CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826511256 608193589 /nfs/dbraw/zinc/19/35/89/608193589.db2.gz IMAYGHJTFMZVEC-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM Oc1ccc2c(c1)CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826511256 608193592 /nfs/dbraw/zinc/19/35/92/608193592.db2.gz IMAYGHJTFMZVEC-UHFFFAOYSA-N -1 1 334.792 2.245 20 0 EEADMM Cc1cnn(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c1 ZINC000826320522 608350627 /nfs/dbraw/zinc/35/06/27/608350627.db2.gz UPAMFHDUCBLSLC-UHFFFAOYSA-N -1 1 345.432 2.369 20 0 EEADMM Cc1cnn(CC(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c1 ZINC000826320522 608350628 /nfs/dbraw/zinc/35/06/28/608350628.db2.gz UPAMFHDUCBLSLC-UHFFFAOYSA-N -1 1 345.432 2.369 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826354660 608392095 /nfs/dbraw/zinc/39/20/95/608392095.db2.gz PASRMBIVGWIQRN-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826354660 608392096 /nfs/dbraw/zinc/39/20/96/608392096.db2.gz PASRMBIVGWIQRN-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM O=C(CCC1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826405405 609289369 /nfs/dbraw/zinc/28/93/69/609289369.db2.gz DSAIAQAWWIDREX-UHFFFAOYSA-N -1 1 341.350 2.320 20 0 EEADMM CC1(C)C[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824796857 609290723 /nfs/dbraw/zinc/29/07/23/609290723.db2.gz SVCMDFFQYKXZFT-VIFPVBQESA-N -1 1 341.350 2.176 20 0 EEADMM Fc1cccc(-n2ccc(NCc3ccncc3)n2)c1-c1nn[n-]n1 ZINC000826376954 609320811 /nfs/dbraw/zinc/32/08/11/609320811.db2.gz ZAYZSTCAZXGLAN-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccc(F)cc2F)C1 ZINC000969541350 675098015 /nfs/dbraw/zinc/09/80/15/675098015.db2.gz BYFKOKATLZIYAR-NSHDSACASA-N -1 1 347.365 2.316 20 0 EEADMM O=C(CC1CCCC1)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000971167562 676421732 /nfs/dbraw/zinc/42/17/32/676421732.db2.gz ZUGVKVTZCBGTLQ-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM CN(Cc1cccc(F)c1F)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394414 676520387 /nfs/dbraw/zinc/52/03/87/676520387.db2.gz PHEJEHMVWKLSFS-ZDUSSCGKSA-N -1 1 347.365 2.412 20 0 EEADMM C[C@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)OCCc2ccccc21 ZINC000891616462 676723705 /nfs/dbraw/zinc/72/37/05/676723705.db2.gz XDCRHEOFPKDZFW-IBGZPJMESA-N -1 1 339.395 2.488 20 0 EEADMM CCC(C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000972444444 678753667 /nfs/dbraw/zinc/75/36/67/678753667.db2.gz OFLIOWSKBNMCIU-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000947200152 678851218 /nfs/dbraw/zinc/85/12/18/678851218.db2.gz TYPRZDOHMDTFJC-ZYHUDNBSSA-N -1 1 345.424 2.048 20 0 EEADMM O=C(NC[C@@H]1CCCCN1Cc1nccs1)c1ncccc1[O-] ZINC001024407398 679892021 /nfs/dbraw/zinc/89/20/21/679892021.db2.gz NJNLWADKZOTGAT-LBPRGKRZSA-N -1 1 332.429 2.028 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CC2(CC2)C1 ZINC000984795413 685266472 /nfs/dbraw/zinc/26/64/72/685266472.db2.gz UYTXCSKVDWRVOI-UONOGXRCSA-N -1 1 343.427 2.087 20 0 EEADMM [O-]c1cc(Br)cnc1CN1C[C@H](O)Cc2ccccc21 ZINC000894113540 681342430 /nfs/dbraw/zinc/34/24/30/681342430.db2.gz QGLIVLTVZAIZHF-GFCCVEGCSA-N -1 1 335.201 2.473 20 0 EEADMM O=C(NC[C@H]1CCN(Cc2ccc(F)cn2)C1)c1ccccc1O ZINC001028416039 681344187 /nfs/dbraw/zinc/34/41/87/681344187.db2.gz PXTMIUUMQZLBAK-CYBMUJFWSA-N -1 1 329.375 2.178 20 0 EEADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000937363530 681345636 /nfs/dbraw/zinc/34/56/36/681345636.db2.gz XCCMGGWMODGJKQ-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM COc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccccc3O)C2)sn1 ZINC001028416230 681346521 /nfs/dbraw/zinc/34/65/21/681346521.db2.gz SCZRPDJEBPOZMM-GFCCVEGCSA-N -1 1 347.440 2.109 20 0 EEADMM CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000319445113 681386298 /nfs/dbraw/zinc/38/62/98/681386298.db2.gz HPZCEALFXJMSLE-SNVBAGLBSA-N -1 1 348.852 2.045 20 0 EEADMM O=C(C[C@H]1C=CCCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982912581 681499970 /nfs/dbraw/zinc/49/99/70/681499970.db2.gz JLZQCAXKKCGAPI-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(NC[C@@H]1CCN(C/C(Cl)=C\Cl)C1)c1ncccc1[O-] ZINC001028500794 681666364 /nfs/dbraw/zinc/66/63/64/681666364.db2.gz RWIWPGALAVYRQX-OTXQMUPVSA-N -1 1 330.215 2.158 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216379 681694875 /nfs/dbraw/zinc/69/48/75/681694875.db2.gz AZWLRDWBHILMPR-QLFBSQMISA-N -1 1 345.443 2.142 20 0 EEADMM Cc1cc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC000937221124 681728193 /nfs/dbraw/zinc/72/81/93/681728193.db2.gz YGICNBHKYIYPEO-CYBMUJFWSA-N -1 1 345.424 2.144 20 0 EEADMM O=C(NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCCC1 ZINC000982669124 682006550 /nfs/dbraw/zinc/00/65/50/682006550.db2.gz AKUVFJQGMCINQG-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(C)CCC(C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001025171126 682145927 /nfs/dbraw/zinc/14/59/27/682145927.db2.gz GIEACRWBRVEVCE-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)(C)c1nsc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059201299 683200895 /nfs/dbraw/zinc/20/08/95/683200895.db2.gz ZZTHMZJDHYWMRH-MGCOHNPYSA-N -1 1 347.444 2.309 20 0 EEADMM CN(C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1nn[n-]n1 ZINC000892954562 683324730 /nfs/dbraw/zinc/32/47/30/683324730.db2.gz LUKZTXDGONOWEQ-UHFFFAOYSA-N -1 1 329.257 2.052 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000974055872 684274049 /nfs/dbraw/zinc/27/40/49/684274049.db2.gz BBMDVRIIFCKAHF-MCIONIFRSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)NC(C)(C)C ZINC000895871716 684752059 /nfs/dbraw/zinc/75/20/59/684752059.db2.gz AWCKKEODQKCEKR-JTQLQIEISA-N -1 1 330.384 2.284 20 0 EEADMM CC(C)(C)C(=O)NCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896036950 684814299 /nfs/dbraw/zinc/81/42/99/684814299.db2.gz NRILJOFHZKDZLA-UHFFFAOYSA-N -1 1 330.384 2.143 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC2(C)C)CCN1C(=O)c1ncccc1[O-] ZINC000985293884 686250154 /nfs/dbraw/zinc/25/01/54/686250154.db2.gz FPGOJCFNRXGMAN-HZSPNIEDSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1(F)CCCC1 ZINC001059515967 686282984 /nfs/dbraw/zinc/28/29/84/686282984.db2.gz BRQRTXHULLSSRV-ZDUSSCGKSA-N -1 1 349.406 2.038 20 0 EEADMM CCC(CC)(CC)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC000976397676 687656519 /nfs/dbraw/zinc/65/65/19/687656519.db2.gz JULLBXUZKAZEFK-NHAGDIPZSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)c1ocnc1CN[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC000986168316 688327289 /nfs/dbraw/zinc/32/72/89/688327289.db2.gz GCXIWMHBWNEWKR-QWHCGFSZSA-N -1 1 344.415 2.291 20 0 EEADMM CCCC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000991043600 694330827 /nfs/dbraw/zinc/33/08/27/694330827.db2.gz UNUMMVOWZAFYQW-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C(=O)N1CC[C@H](CN(C)C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000987985856 690219077 /nfs/dbraw/zinc/21/90/77/690219077.db2.gz ORWYMHNXNAXCBN-CQSZACIVSA-N -1 1 343.427 2.208 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001059883238 690618325 /nfs/dbraw/zinc/61/83/25/690618325.db2.gz BRHLISKNKBXJQA-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1ccccc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC000977605536 692814736 /nfs/dbraw/zinc/81/47/36/692814736.db2.gz ZEQSVNVKGJXXHY-CQSZACIVSA-N -1 1 339.395 2.082 20 0 EEADMM Cc1cc(C[N@H+]2CC[C@]3(NC(=O)c4ncccc4[O-])CCC[C@@H]23)on1 ZINC000990352349 692839517 /nfs/dbraw/zinc/83/95/17/692839517.db2.gz GHTXDGIFXRHLTK-CRAIPNDOSA-N -1 1 342.399 2.011 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCC=CCCC1 ZINC000938180774 693221599 /nfs/dbraw/zinc/22/15/99/693221599.db2.gz AVCFCJPJXSEYAU-GJZGRUSLSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H](CC(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000943203871 1192114169 /nfs/dbraw/zinc/11/41/69/1192114169.db2.gz NOVROCOKWKUDLZ-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@H]1CC[C@H](NC(=O)C2(F)CCCC2)CC1)c1ncccc1[O-] ZINC000943684577 1192473891 /nfs/dbraw/zinc/47/38/91/1192473891.db2.gz QGSOKYPAORPMCO-JOCQHMNTSA-N -1 1 349.406 2.227 20 0 EEADMM Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ncccc2[O-])c(C)o1 ZINC000943976443 1192733356 /nfs/dbraw/zinc/73/33/56/1192733356.db2.gz KEPOUSAHLOIZED-CYBMUJFWSA-N -1 1 343.383 2.032 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CCC=CCC1 ZINC000943979436 1192735985 /nfs/dbraw/zinc/73/59/85/1192735985.db2.gz KTNPVBXYUVSUEM-OAHLLOKOSA-N -1 1 343.427 2.254 20 0 EEADMM C/C=C(\C)C(=O)N1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000944372369 1193032439 /nfs/dbraw/zinc/03/24/39/1193032439.db2.gz CDZVLJJCOZOXHY-LZWSPWQCSA-N -1 1 343.427 2.208 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2ccccc2F)c1 ZINC001414196180 1181509928 /nfs/dbraw/zinc/50/99/28/1181509928.db2.gz MHCPDFOKEJAETR-UHFFFAOYSA-N -1 1 325.361 2.361 20 0 EEADMM CC[C@H](C)N1CCC2(CCN(C(=O)c3ncccc3[O-])CC2)C1=O ZINC001268842270 1183759875 /nfs/dbraw/zinc/75/98/75/1183759875.db2.gz JJHPOLITXKXUBA-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CCCCN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cn3)CC2)C1=O ZINC001269355031 1184201455 /nfs/dbraw/zinc/20/14/55/1184201455.db2.gz VCIKHXADKTZBDG-IBGZPJMESA-N -1 1 345.443 2.432 20 0 EEADMM O=C(Nc1cn[nH]c1)[C@]12C[C@H]1CCN2C(=O)c1ccc([O-])cc1Cl ZINC001269758322 1184595022 /nfs/dbraw/zinc/59/50/22/1184595022.db2.gz RKDOCKLFAFWNTK-ABKXIKBNSA-N -1 1 346.774 2.012 20 0 EEADMM CC(C)(C)NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccc([O-])cn1)C2 ZINC001270138280 1184875331 /nfs/dbraw/zinc/87/53/31/1184875331.db2.gz BIXQWHYSFCRSRS-LIRRHRJNSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)c1cncc([O-])c1 ZINC001271384777 1186176716 /nfs/dbraw/zinc/17/67/16/1186176716.db2.gz CJSIYBPEGTUPRE-UGSOOPFHSA-N -1 1 331.416 2.183 20 0 EEADMM Cc1cccc(F)c1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1[O-] ZINC001076246128 1188801879 /nfs/dbraw/zinc/80/18/79/1188801879.db2.gz GMXWBHDIJNBCER-LBPRGKRZSA-N -1 1 345.374 2.173 20 0 EEADMM CCCCN1CC[C@@]2(CCCN2C(=O)c2nc(C)ccc2[O-])C1=O ZINC001272386713 1190797074 /nfs/dbraw/zinc/79/70/74/1190797074.db2.gz MVDGJFZNUZPVGL-SFHVURJKSA-N -1 1 331.416 2.103 20 0 EEADMM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)c1cc(C)ns1 ZINC001365460649 1190864676 /nfs/dbraw/zinc/86/46/76/1190864676.db2.gz NKYOQOBAPAYJMR-KOLCDFICSA-N -1 1 334.463 2.098 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ccsc2)CCCN1C(=O)c1ncccc1[O-] ZINC001014741933 1224271682 /nfs/dbraw/zinc/27/16/82/1224271682.db2.gz GBSPRJZMUZCEPF-YPMHNXCESA-N -1 1 345.424 2.272 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(CC(F)(F)C(F)F)C1 ZINC001033813847 1195324922 /nfs/dbraw/zinc/32/49/22/1195324922.db2.gz NJZCCYUGOLMFSL-JTQLQIEISA-N -1 1 349.328 2.224 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001005405444 1195384551 /nfs/dbraw/zinc/38/45/51/1195384551.db2.gz KJJWCMJNLIGEJG-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)ccc2N)c1 ZINC001214216589 1196643592 /nfs/dbraw/zinc/64/35/92/1196643592.db2.gz DTUSSAJMPHMXAH-UHFFFAOYSA-N -1 1 325.321 2.124 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C2CCCCC2)CC1 ZINC001410267914 1197649190 /nfs/dbraw/zinc/64/91/90/1197649190.db2.gz WOINKOVTPFHIKI-CYBMUJFWSA-N -1 1 345.443 2.382 20 0 EEADMM COCCN(C)c1nc([O-])c(CC(=O)Nc2cc(C)ccc2C)s1 ZINC000871597606 1197786943 /nfs/dbraw/zinc/78/69/43/1197786943.db2.gz SLCXELPJFLKHNL-AWEZNQCLSA-N -1 1 349.456 2.208 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)cs1 ZINC001011678792 1224509129 /nfs/dbraw/zinc/50/91/29/1224509129.db2.gz JZFYHBLNHKQFLL-DGCLKSJQSA-N -1 1 345.424 2.190 20 0 EEADMM C[C@H]1[C@@H](NC(=O)C2(C)CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC001011681047 1224510928 /nfs/dbraw/zinc/51/09/28/1224510928.db2.gz UTNUYPWIULOXCJ-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM CSc1nc(C)c(CCC(=O)NOc2ccccc2F)c(=O)[n-]1 ZINC000874912891 1199069112 /nfs/dbraw/zinc/06/91/12/1199069112.db2.gz VJNOGNVYOZWUSK-UHFFFAOYSA-N -1 1 337.376 2.394 20 0 EEADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccc(F)c(C)c1 ZINC000874924809 1199075039 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CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014260711 1226424740 /nfs/dbraw/zinc/42/47/40/1226424740.db2.gz SURVTVIJPUVYIY-TVZGQMOCSA-N -1 1 343.427 2.087 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)c2occc2Cl)C1 ZINC001016431389 1226471218 /nfs/dbraw/zinc/47/12/18/1226471218.db2.gz PGCQVDZTXMSLEX-UHFFFAOYSA-N -1 1 349.774 2.067 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NC2CC(N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC001016431451 1226471574 /nfs/dbraw/zinc/47/15/74/1226471574.db2.gz PVUDQSAFOUENRF-RBAFREBBSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)(C)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC001014620476 1226848935 /nfs/dbraw/zinc/84/89/35/1226848935.db2.gz PGQCKYRJGKIJQF-IHRRRGAJSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1C1CCOCC1 ZINC000827913263 1249012395 /nfs/dbraw/zinc/01/23/95/1249012395.db2.gz VAWXYUIPVQLCLG-ZDUSSCGKSA-N -1 1 332.429 2.049 20 0 EEADMM CC[C@@H](C)C(=O)NC[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001054822352 1249151430 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Cc1noc(CCCOC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000801203946 1235214407 /nfs/dbraw/zinc/21/44/07/1235214407.db2.gz QEGWZWJIDCOHAG-UHFFFAOYSA-N -1 1 328.328 2.059 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCc2nc(C)no2)n1 ZINC000801417340 1235546877 /nfs/dbraw/zinc/54/68/77/1235546877.db2.gz KXCXFPLPWOLMAE-UHFFFAOYSA-N -1 1 328.328 2.189 20 0 EEADMM CCc1nc(COC(=O)c2nn(-c3ccccc3CC)cc2[O-])no1 ZINC000801417110 1235546906 /nfs/dbraw/zinc/54/69/06/1235546906.db2.gz ALLKCRSIZHRHDD-UHFFFAOYSA-N -1 1 342.355 2.443 20 0 EEADMM CCc1nnc(COC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])[nH]1 ZINC000801429526 1235565359 /nfs/dbraw/zinc/56/53/59/1235565359.db2.gz LFQXWNRKKHROLZ-UHFFFAOYSA-N -1 1 345.334 2.063 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3cc(-c4cccc(F)c4)no3)ccnc1-2 ZINC000801700485 1236049612 /nfs/dbraw/zinc/04/96/12/1236049612.db2.gz MRXVLUZRZMUMTH-UHFFFAOYSA-N -1 1 337.314 2.388 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3cc(Cl)c4c(c3)OCCO4)ccnc1-2 ZINC000801704945 1236057663 /nfs/dbraw/zinc/05/76/63/1236057663.db2.gz XKZCPPRGRRYVDW-UHFFFAOYSA-N -1 1 344.758 2.019 20 0 EEADMM Cc1ccc([C@@H](C)CN(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000901628629 1236072421 /nfs/dbraw/zinc/07/24/21/1236072421.db2.gz YTWVXBSLCDIHHF-RDJZCZTQSA-N -1 1 332.444 2.354 20 0 EEADMM CS(=O)(=O)CCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902151750 1237133831 /nfs/dbraw/zinc/13/38/31/1237133831.db2.gz OKKKJDMITMJPHL-UHFFFAOYSA-N -1 1 337.397 2.169 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)c2cn(C)nn2)c1 ZINC000903010897 1239330033 /nfs/dbraw/zinc/33/00/33/1239330033.db2.gz SMNQGSFVZYAJGL-SNVBAGLBSA-N -1 1 341.337 2.475 20 0 EEADMM CCCCC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001056601649 1239447336 /nfs/dbraw/zinc/44/73/36/1239447336.db2.gz VGFIBTOYTVLZAH-UONOGXRCSA-N -1 1 331.416 2.040 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001056616315 1239449700 /nfs/dbraw/zinc/44/97/00/1239449700.db2.gz FXHSKINRKSVRBP-ZCIHOMHXSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903044671 1239608496 /nfs/dbraw/zinc/60/84/96/1239608496.db2.gz DDXMFGMDJYPXNJ-KBPBESRZSA-N -1 1 341.411 2.202 20 0 EEADMM O=C([O-])[C@@H]1Cc2c(Br)cccc2CN1CCOC1CC1 ZINC000903601112 1241122077 /nfs/dbraw/zinc/12/20/77/1241122077.db2.gz FDZDPOXAYXVENZ-AWEZNQCLSA-N -1 1 340.217 2.439 20 0 EEADMM COCc1ncc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)s1 ZINC000803903737 1242282483 /nfs/dbraw/zinc/28/24/83/1242282483.db2.gz UMSDCORPEKAEAS-UHFFFAOYSA-N -1 1 347.348 2.459 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCCC[C@H](Nc2ncccn2)C1 ZINC001049895501 1242579176 /nfs/dbraw/zinc/57/91/76/1242579176.db2.gz ZRAFOOYEWQFWIF-ZDUSSCGKSA-N -1 1 327.388 2.074 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)/C=C/C(C)(C)C ZINC001073827310 1242737066 /nfs/dbraw/zinc/73/70/66/1242737066.db2.gz RYBDLRPSZHSIJH-QPJKDDTCSA-N -1 1 345.443 2.356 20 0 EEADMM CCc1cc(N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001057624420 1244471983 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1 347.459 2.376 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc(Cl)ncc1Cl ZINC000781913907 1303898607 /nfs/dbraw/zinc/89/86/07/1303898607.db2.gz RSZKQHGLDAECKN-GFCCVEGCSA-N -1 1 349.181 2.421 20 0 EEADMM Oc1cc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)ccc1Cl ZINC001231730705 1303905269 /nfs/dbraw/zinc/90/52/69/1303905269.db2.gz KZYVRVNUBJCCNN-OKILXGFUSA-N -1 1 330.819 2.404 20 0 EEADMM COc1ccc(-c2cc(C(=O)[N-]N3CN=NC3=O)sc2C)cc1 ZINC000782125749 1303965334 /nfs/dbraw/zinc/96/53/34/1303965334.db2.gz NMTAZMPMKIJCGN-UHFFFAOYSA-N -1 1 330.369 2.413 20 0 EEADMM CC(C)c1cc(N(C)CCCN(C)C(=O)c2ncccc2[O-])ncn1 ZINC001112081019 1304212581 /nfs/dbraw/zinc/21/25/81/1304212581.db2.gz BJRLFBZFZJXFFP-UHFFFAOYSA-N -1 1 343.431 2.299 20 0 EEADMM CCn1nnc2c1[C@H](COC)CN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232933247 1304297864 /nfs/dbraw/zinc/29/78/64/1304297864.db2.gz GVBIJUPGQVHBMQ-NSHDSACASA-N -1 1 338.358 2.028 20 0 EEADMM COc1ccnc(O[C@H]2CCN(Cc3cc([O-])c(F)c(F)c3)C2)n1 ZINC001232973637 1304311673 /nfs/dbraw/zinc/31/16/73/1304311673.db2.gz HIVSNOQANDSBGV-NSHDSACASA-N -1 1 337.326 2.122 20 0 EEADMM CCOC[C@H]1CN(Cc2cc(Cl)ncc2[O-])Cc2ncn(C)c21 ZINC001233037222 1304338092 /nfs/dbraw/zinc/33/80/92/1304338092.db2.gz WKUREWFJLFZGPJ-GFCCVEGCSA-N -1 1 336.823 2.310 20 0 EEADMM CC(C)NC(=O)[C@H]1Cn2nccc2CN(Cc2ccc([S-])cc2)C1 ZINC001233260093 1304409014 /nfs/dbraw/zinc/40/90/14/1304409014.db2.gz QCHISYLBIVTYFH-OAHLLOKOSA-N -1 1 344.484 2.328 20 0 EEADMM CC(C)[C@H](F)C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000784520705 1304493544 /nfs/dbraw/zinc/49/35/44/1304493544.db2.gz MWXCLMJKNKCECR-WDEREUQCSA-N -1 1 329.738 2.192 20 0 EEADMM CCCC(=O)c1ccc([O-])cc1OC(CC(=O)OC)CC(=O)OC ZINC001233651002 1304546899 /nfs/dbraw/zinc/54/68/99/1304546899.db2.gz VYANPLKWEZIDOG-UHFFFAOYSA-N -1 1 338.356 2.249 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](CC2CCCCC2)C(=O)OC)[n-]1 ZINC000797249279 1304679390 /nfs/dbraw/zinc/67/93/90/1304679390.db2.gz UWSQYYBRFDTCKI-AWEZNQCLSA-N -1 1 337.372 2.470 20 0 EEADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@H]1CCc2c1nccc2Cl ZINC001234557470 1304967516 /nfs/dbraw/zinc/96/75/16/1304967516.db2.gz LHASMHMJAFSWML-JTQLQIEISA-N -1 1 335.747 2.392 20 0 EEADMM COC(=O)c1nc(C)[n-]c(=O)c1O[C@@H](C)c1cc(OC)ccc1OC ZINC001234564048 1304971241 /nfs/dbraw/zinc/97/12/41/1304971241.db2.gz DJHKXPRNWKBINK-VIFPVBQESA-N -1 1 348.355 2.434 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncnc2ccsc21 ZINC001115719478 1305664355 /nfs/dbraw/zinc/66/43/55/1305664355.db2.gz RGRGTNVKVYUAHF-SNVBAGLBSA-N -1 1 343.412 2.365 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1C[NH+]1CCC([N-]C(=O)C(F)(F)F)CC1 ZINC001238146825 1306242611 /nfs/dbraw/zinc/24/26/11/1306242611.db2.gz BVXHGGDUWRABKE-UHFFFAOYSA-N -1 1 344.333 2.336 20 0 EEADMM CO[C@@H]1CN(Cc2c(Br)ccc([O-])c2F)C[C@@H]1OC ZINC001238304595 1306325148 /nfs/dbraw/zinc/32/51/48/1306325148.db2.gz GNBDDDFNMZEARR-TXEJJXNPSA-N -1 1 334.185 2.139 20 0 EEADMM [O-]c1ccc(Br)c(CN2CC[C@H](O)C(F)(F)C2)c1F ZINC001238307728 1306325776 /nfs/dbraw/zinc/32/57/76/1306325776.db2.gz GLGJDQIKXLQBTB-JTQLQIEISA-N -1 1 340.139 2.496 20 0 EEADMM COc1cc(-c2cccc(C(=O)N3CCNCC3)c2)ccc1C(=O)[O-] ZINC001240746260 1309389998 /nfs/dbraw/zinc/38/99/98/1309389998.db2.gz CQPZMDUHOKSJOO-UHFFFAOYSA-N -1 1 340.379 2.106 20 0 EEADMM NS(=O)(=O)c1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(F)c1 ZINC001242157485 1309621864 /nfs/dbraw/zinc/62/18/64/1309621864.db2.gz FWDMGKROFSXCTB-UHFFFAOYSA-N -1 1 336.266 2.260 20 0 EEADMM CC(=O)Nc1nc2nc[nH]c2c(-c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001242204221 1309635149 /nfs/dbraw/zinc/63/51/49/1309635149.db2.gz IDJMAWBJKXPYJD-UHFFFAOYSA-N -1 1 329.291 2.076 20 0 EEADMM CCOC(=O)COc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001243139782 1309771008 /nfs/dbraw/zinc/77/10/08/1309771008.db2.gz VJEHGBTXPSDESB-UHFFFAOYSA-N -1 1 339.347 2.108 20 0 EEADMM COc1ncc(-c2ccc3c(c2)NCCC3)cc1[N-]S(C)(=O)=O ZINC001244794679 1309991365 /nfs/dbraw/zinc/99/13/65/1309991365.db2.gz ULJYPRBRKWSPGZ-UHFFFAOYSA-N -1 1 333.413 2.487 20 0 EEADMM OCc1ccc(OC(F)(F)F)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001245863223 1310178957 /nfs/dbraw/zinc/17/89/57/1310178957.db2.gz VJFIARLNQCBDHN-UHFFFAOYSA-N -1 1 337.261 2.320 20 0 EEADMM OCc1ccc(OC(F)(F)F)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001245863223 1310178961 /nfs/dbraw/zinc/17/89/61/1310178961.db2.gz VJFIARLNQCBDHN-UHFFFAOYSA-N -1 1 337.261 2.320 20 0 EEADMM COC(=O)c1nc2cc(-c3ccc(C(=O)OC)c(N)c3)ccc2[n-]1 ZINC001245905366 1310186339 /nfs/dbraw/zinc/18/63/39/1310186339.db2.gz WIHJHLUXVTZAKQ-UHFFFAOYSA-N -1 1 325.324 2.385 20 0 EEADMM COC(=O)c1nc2ccc(-c3ccc(C(=O)OC)c(N)c3)cc2[n-]1 ZINC001245905366 1310186343 /nfs/dbraw/zinc/18/63/43/1310186343.db2.gz WIHJHLUXVTZAKQ-UHFFFAOYSA-N -1 1 325.324 2.385 20 0 EEADMM NS(=O)(=O)c1ccc(-n2[n-]c(CC3CCCCC3)cc2=O)cc1 ZINC001245940241 1310192367 /nfs/dbraw/zinc/19/23/67/1310192367.db2.gz UVPYWVIGRKSARR-UHFFFAOYSA-N -1 1 335.429 2.348 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC001123683934 1310676883 /nfs/dbraw/zinc/67/68/83/1310676883.db2.gz BYRABYPVZMZFOR-LLVKDONJSA-N -1 1 347.444 2.364 20 0 EEADMM CC(=O)OCc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1C ZINC001248583044 1310917573 /nfs/dbraw/zinc/91/75/73/1310917573.db2.gz MISGZQYURREPEM-UHFFFAOYSA-N -1 1 334.397 2.441 20 0 EEADMM CC(C)(C)OC(=O)Nc1cc(C[N-]S(=O)(=O)C(F)F)ccn1 ZINC001259960206 1319755644 /nfs/dbraw/zinc/75/56/44/1319755644.db2.gz LXYIMPQDRRJEIJ-UHFFFAOYSA-N -1 1 337.348 2.071 20 0 EEADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC001260297531 1319860289 /nfs/dbraw/zinc/86/02/89/1319860289.db2.gz KRCQJLSHVBEACB-UHFFFAOYSA-N -1 1 338.360 2.042 20 0 EEADMM CCOC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260206179 1319829926 /nfs/dbraw/zinc/82/99/26/1319829926.db2.gz FPJCQFUTOAEXLW-SSDOTTSWSA-N -1 1 341.763 2.238 20 0 EEADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1OC ZINC001260737870 1319961453 /nfs/dbraw/zinc/96/14/53/1319961453.db2.gz AQJKCWQAAWSMRC-JTQLQIEISA-N -1 1 335.447 2.029 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(CCO)cc3c2)ccc1F ZINC001260760100 1319967992 /nfs/dbraw/zinc/96/79/92/1319967992.db2.gz LSGWAZHXHKAGAO-UHFFFAOYSA-N -1 1 349.387 2.277 20 0 EEADMM O=C(Cc1ccccc1Cl)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831162517 1314577721 /nfs/dbraw/zinc/57/77/21/1314577721.db2.gz OZMAKZNQUOEZBS-UHFFFAOYSA-N -1 1 334.725 2.019 20 0 EEADMM CCOC(=O)c1nonc1[N-]c1ccc(C(=O)N(C)C)c(Cl)c1 ZINC001203065738 1314964132 /nfs/dbraw/zinc/96/41/32/1314964132.db2.gz YSZQKAJFVVGOHY-UHFFFAOYSA-N -1 1 338.751 2.345 20 0 EEADMM COc1ccnc(O[C@H]2CCN(Cc3ccc([O-])c(F)c3F)C2)n1 ZINC001140894633 1314982149 /nfs/dbraw/zinc/98/21/49/1314982149.db2.gz COMSELPYHQTXLD-NSHDSACASA-N -1 1 337.326 2.122 20 0 EEADMM COC(=O)[C@]1(C)CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000840184697 1315320996 /nfs/dbraw/zinc/32/09/96/1315320996.db2.gz MRTRVEYJLIXEKE-MRXNPFEDSA-N -1 1 347.444 2.235 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3c(c(OC)c2)O[C@@H](C)C3)n1 ZINC000841222064 1315507526 /nfs/dbraw/zinc/50/75/26/1315507526.db2.gz QLDAAZVYYQBSDG-VIFPVBQESA-N -1 1 345.355 2.171 20 0 EEADMM CC(C)[C@@H]1N(C(=O)N=c2ccnc3n(C)[n-]cc2-3)CC12CCOCC2 ZINC000841705251 1315600731 /nfs/dbraw/zinc/60/07/31/1315600731.db2.gz KNAMCDREUCDZPQ-HNNXBMFYSA-N -1 1 343.431 2.011 20 0 EEADMM Cn1ccc2c1cccc2C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001149500132 1315978403 /nfs/dbraw/zinc/97/84/03/1315978403.db2.gz HWBUKPCMFFRGGT-INIZCTEOSA-N -1 1 332.367 2.211 20 0 EEADMM O=C(NCc1cc2n(n1)CCCO2)c1cc2cccc(O)c2cc1[O-] ZINC001149659656 1316008840 /nfs/dbraw/zinc/00/88/40/1316008840.db2.gz JNRSZWNUTWCJGG-UHFFFAOYSA-N -1 1 339.351 2.160 20 0 EEADMM COc1ccccc1CCN(C)C(=O)c1cnc2cccnc2c1O ZINC001153856277 1316901449 /nfs/dbraw/zinc/90/14/49/1316901449.db2.gz TYKKWNOLJQQRSQ-UHFFFAOYSA-N -1 1 337.379 2.246 20 0 EEADMM CC(C)n1nc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)c2ccccc21 ZINC001153925082 1316917464 /nfs/dbraw/zinc/91/74/64/1316917464.db2.gz QHQDXPWVIHCVLH-UHFFFAOYSA-N -1 1 337.343 2.241 20 0 EEADMM C[C@H](NC(=S)NCC[N-]C(=O)C(F)(F)F)c1ccc(F)cc1 ZINC001249614242 1317132983 /nfs/dbraw/zinc/13/29/83/1317132983.db2.gz XPBWLNYGQVTSQZ-QMMMGPOBSA-N -1 1 337.342 2.029 20 0 EEADMM Cc1ccc2ncc([O-])c(C(=O)Nc3nc(C)nc4[nH]cnc43)c2c1 ZINC001154527419 1317183024 /nfs/dbraw/zinc/18/30/24/1317183024.db2.gz AWCDYLTZHBUUMY-UHFFFAOYSA-N -1 1 334.339 2.476 20 0 EEADMM CN(c1c(F)ccc([O-])c1Cl)S(=O)(=O)c1ccc(O)c(N)c1 ZINC001250232466 1317226560 /nfs/dbraw/zinc/22/65/60/1317226560.db2.gz MSWRSFPVZZNVCJ-UHFFFAOYSA-N -1 1 346.767 2.298 20 0 EEADMM COc1ccc2cc([O-])c(C(=O)N3C[C@@H](F)C[C@H](CO)C3)cc2c1 ZINC001154748961 1317294601 /nfs/dbraw/zinc/29/46/01/1317294601.db2.gz AQDSVWLOTVVXIN-FZMZJTMJSA-N -1 1 333.359 2.347 20 0 EEADMM Cc1cc2[nH]c(-c3c(F)cc([O-])cc3F)nc2cc1S(N)(=O)=O ZINC001251008001 1317397730 /nfs/dbraw/zinc/39/77/30/1317397730.db2.gz XKOGHDMJLNEKGA-UHFFFAOYSA-N -1 1 339.323 2.170 20 0 EEADMM O=C1OCC=C1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC001251310504 1317446561 /nfs/dbraw/zinc/44/65/61/1317446561.db2.gz NSSNXFGDTRRTDU-UHFFFAOYSA-N -1 1 342.587 2.366 20 0 EEADMM CCOC(=O)c1cccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)n1 ZINC001155171743 1317483734 /nfs/dbraw/zinc/48/37/34/1317483734.db2.gz XSSHWTAGSLKUEC-UHFFFAOYSA-N -1 1 345.746 2.435 20 0 EEADMM COc1cccc(C(C)(C)CNC(=O)c2[n-][nH]c3cc(=O)ccc2-3)n1 ZINC001155273303 1317534706 /nfs/dbraw/zinc/53/47/06/1317534706.db2.gz MJUUQHZYKMHSDY-UHFFFAOYSA-N -1 1 340.383 2.380 20 0 EEADMM CSc1nc(NC(=O)c2cnc3cccc(O)c3c2)cc(=O)[n-]1 ZINC001155532059 1317640532 /nfs/dbraw/zinc/64/05/32/1317640532.db2.gz GVCRMFAMZIYDCZ-UHFFFAOYSA-N -1 1 328.353 2.410 20 0 EEADMM COc1ccc2onc(C(=O)Nc3cc(=O)[n-]c(SC)n3)c2c1 ZINC001156720480 1318179922 /nfs/dbraw/zinc/17/99/22/1318179922.db2.gz PEIJBGFETVHRMZ-UHFFFAOYSA-N -1 1 332.341 2.306 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccc(F)cc1 ZINC001255666602 1318509820 /nfs/dbraw/zinc/50/98/20/1318509820.db2.gz QMCIKXXALZAYLX-CQSZACIVSA-N -1 1 341.335 2.157 20 0 EEADMM O=c1[n-]c(-c2ccccn2)ncc1-c1nnc(C2CCOCC2)o1 ZINC001255705266 1318518626 /nfs/dbraw/zinc/51/86/26/1318518626.db2.gz LMJCHLMTQYKZMF-UHFFFAOYSA-N -1 1 325.328 2.188 20 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O=C(NCCc1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609551004 1352013493 /nfs/dbraw/zinc/01/34/93/1352013493.db2.gz YEWSCBIETJTJEB-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCC(F)F)c1F ZINC001332300583 1335796364 /nfs/dbraw/zinc/79/63/64/1335796364.db2.gz REAOATYECXQVJR-UHFFFAOYSA-N -1 1 343.298 2.075 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC001609603750 1352033241 /nfs/dbraw/zinc/03/32/41/1352033241.db2.gz BPGVJPDJLDRFGD-QGZVFWFLSA-N -1 1 348.410 2.138 20 0 EEADMM c1cc(-c2nnn[n-]2)ncc1-c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC001609613062 1352038175 /nfs/dbraw/zinc/03/81/75/1352038175.db2.gz HNQQEACGTLVXFW-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM c1cc(-c2nn[n-]n2)ncc1-c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC001609613062 1352038177 /nfs/dbraw/zinc/03/81/77/1352038177.db2.gz HNQQEACGTLVXFW-UHFFFAOYSA-N -1 1 346.354 2.253 20 0 EEADMM C[C@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1cc(C(=O)[O-])co1 ZINC001609782180 1352084330 /nfs/dbraw/zinc/08/43/30/1352084330.db2.gz ZIZYVYWFDMREAQ-JQWIXIFHSA-N -1 1 335.381 2.200 20 0 EEADMM C[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(C(=O)[O-])co1 ZINC001609782178 1352084438 /nfs/dbraw/zinc/08/44/38/1352084438.db2.gz ZIZYVYWFDMREAQ-CMPLNLGQSA-N -1 1 335.381 2.200 20 0 EEADMM COC[C@@H]1CCCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001339802764 1337075470 /nfs/dbraw/zinc/07/54/70/1337075470.db2.gz SMZVGONAFGPINZ-SNVBAGLBSA-N -1 1 337.811 2.099 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cccs1 ZINC001610097275 1352161036 /nfs/dbraw/zinc/16/10/36/1352161036.db2.gz GFJCQPBLOQOJNA-WBMJQRKESA-N -1 1 339.461 2.247 20 0 EEADMM COc1cc(F)c(F)cc1NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610297332 1352201466 /nfs/dbraw/zinc/20/14/66/1352201466.db2.gz JDINCDFNEMXMSD-UHFFFAOYSA-N -1 1 349.355 2.360 20 0 EEADMM Cc1cc(C)nc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000848339850 1338681540 /nfs/dbraw/zinc/68/15/40/1338681540.db2.gz RGWUZXSIXWZROQ-VXGBXAGGSA-N -1 1 343.349 2.370 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cccc(C(=O)N(C)C)c2)n1C ZINC001610408827 1352218429 /nfs/dbraw/zinc/21/84/29/1352218429.db2.gz ILUQPBAZRNYDAK-UHFFFAOYSA-N -1 1 329.400 2.023 20 0 EEADMM Cc1oc(CNCc2cccc(N3CCOCC3)c2)cc1C(=O)[O-] ZINC001610585781 1352249462 /nfs/dbraw/zinc/24/94/62/1352249462.db2.gz HZEXUZURLWOYCD-UHFFFAOYSA-N -1 1 330.384 2.413 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC3(CCC(O)CC3)CC2)cc1 ZINC001610664139 1352258640 /nfs/dbraw/zinc/25/86/40/1352258640.db2.gz OTGGOWVXWFZJCP-UHFFFAOYSA-N -1 1 346.427 2.340 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)C1C=CC=CC=C1)NC(=O)c1ncccc1[O-] ZINC001428599036 1339592337 /nfs/dbraw/zinc/59/23/37/1339592337.db2.gz YXYMJHPWSAQCTB-KBPBESRZSA-N -1 1 341.411 2.099 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)C2(C)CCC2)C1 ZINC001429154367 1339819561 /nfs/dbraw/zinc/81/95/61/1339819561.db2.gz LEOQPXTXNHFFAQ-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([N-]NC(=O)c1ccccc1Cl)c1cc(-c2ccco2)[nH]n1 ZINC000029834277 1352295267 /nfs/dbraw/zinc/29/52/67/1352295267.db2.gz CRQFSQZLUZZIDW-UHFFFAOYSA-N -1 1 330.731 2.398 20 0 EEADMM COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC001433675484 1341656449 /nfs/dbraw/zinc/65/64/49/1341656449.db2.gz WIUASPUQIQZWQP-UHFFFAOYSA-N -1 1 343.807 2.476 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2cnccc2c1 ZINC001470630185 1342095177 /nfs/dbraw/zinc/09/51/77/1342095177.db2.gz UXBSTEASLKNPRX-MRXNPFEDSA-N -1 1 330.351 2.267 20 0 EEADMM C[C@@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnn(C)c1 ZINC001563130631 1342541381 /nfs/dbraw/zinc/54/13/81/1342541381.db2.gz JLHDMYPFSZPRGF-LLVKDONJSA-N -1 1 326.360 2.194 20 0 EEADMM CCc1nc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)co1 ZINC001563130491 1342541723 /nfs/dbraw/zinc/54/17/23/1342541723.db2.gz DUGWDLOSECSWEC-UHFFFAOYSA-N -1 1 327.344 2.450 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1c[nH]nc1Cl ZINC000831249459 1372370377 /nfs/dbraw/zinc/37/03/77/1372370377.db2.gz SIEZAAWLKIEEGX-JTQLQIEISA-N -1 1 333.841 2.223 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001577301192 1344125233 /nfs/dbraw/zinc/12/52/33/1344125233.db2.gz QLIDORSFKNRSCH-VIFPVBQESA-N -1 1 329.451 2.033 20 0 EEADMM CCSCc1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001578417159 1344276471 /nfs/dbraw/zinc/27/64/71/1344276471.db2.gz GOFWNGHHOKFVHJ-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CCSCc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001578417159 1344276476 /nfs/dbraw/zinc/27/64/76/1344276476.db2.gz GOFWNGHHOKFVHJ-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CO[C@H](Cn1cc(-c2nn[n-]n2)ccc1=O)c1ccc(Cl)cc1 ZINC001579596447 1344398737 /nfs/dbraw/zinc/39/87/37/1344398737.db2.gz RSJCSXKOWIQBQG-CYBMUJFWSA-N -1 1 331.763 2.070 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579929390 1344433866 /nfs/dbraw/zinc/43/38/66/1344433866.db2.gz IFSXELJBTDJJKX-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579929390 1344433868 /nfs/dbraw/zinc/43/38/68/1344433868.db2.gz IFSXELJBTDJJKX-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM COc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1OC ZINC001580070991 1344464128 /nfs/dbraw/zinc/46/41/28/1344464128.db2.gz LXRGIDZCLHUAQA-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1OC ZINC001580070991 1344464130 /nfs/dbraw/zinc/46/41/30/1344464130.db2.gz LXRGIDZCLHUAQA-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccnc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)c1F ZINC001580095152 1344470565 /nfs/dbraw/zinc/47/05/65/1344470565.db2.gz LDZJYBATVGKQIB-UHFFFAOYSA-N -1 1 341.759 2.131 20 0 EEADMM COc1ccnc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)c1F ZINC001580095152 1344470568 /nfs/dbraw/zinc/47/05/68/1344470568.db2.gz LDZJYBATVGKQIB-UHFFFAOYSA-N -1 1 341.759 2.131 20 0 EEADMM CSCc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580226567 1344493760 /nfs/dbraw/zinc/49/37/60/1344493760.db2.gz XPFWOQJVJFWKDA-UHFFFAOYSA-N -1 1 340.412 2.306 20 0 EEADMM CSCc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580226567 1344493765 /nfs/dbraw/zinc/49/37/65/1344493765.db2.gz XPFWOQJVJFWKDA-UHFFFAOYSA-N -1 1 340.412 2.306 20 0 EEADMM CSc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001580234902 1344495784 /nfs/dbraw/zinc/49/57/84/1344495784.db2.gz IROZWZDZLGMKHS-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM CSc1cccnc1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001580236798 1344496773 /nfs/dbraw/zinc/49/67/73/1344496773.db2.gz YSSZSCFFGXCNFN-UHFFFAOYSA-N -1 1 347.429 2.025 20 0 EEADMM CSc1cccnc1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001580236798 1344496778 /nfs/dbraw/zinc/49/67/78/1344496778.db2.gz YSSZSCFFGXCNFN-UHFFFAOYSA-N -1 1 347.429 2.025 20 0 EEADMM Cc1nc2cc(NC(=O)c3csc(-c4nn[n-]n4)c3)ccc2n1C ZINC001581532913 1344636116 /nfs/dbraw/zinc/63/61/16/1344636116.db2.gz SWVBHMPSKUOHKP-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM O=C(OCc1ncc(C(F)(F)F)s1)c1coc(-c2nnn[n-]2)c1 ZINC001582656205 1344779274 /nfs/dbraw/zinc/77/92/74/1344779274.db2.gz QLIXBWKVOOHLNG-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C(OCc1ncc(C(F)(F)F)s1)c1coc(-c2nn[n-]n2)c1 ZINC001582656205 1344779278 /nfs/dbraw/zinc/77/92/78/1344779278.db2.gz QLIXBWKVOOHLNG-UHFFFAOYSA-N -1 1 345.262 2.292 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc(F)c1O ZINC001587162680 1348858785 /nfs/dbraw/zinc/85/87/85/1348858785.db2.gz UJBHTXLNEFXMQY-ZDUSSCGKSA-N -1 1 342.330 2.069 20 0 EEADMM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001589059137 1348955349 /nfs/dbraw/zinc/95/53/49/1348955349.db2.gz NXQXRCMDMZQBGW-UHFFFAOYSA-N -1 1 326.335 2.317 20 0 EEADMM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001589059137 1348955353 /nfs/dbraw/zinc/95/53/53/1348955353.db2.gz NXQXRCMDMZQBGW-UHFFFAOYSA-N -1 1 326.335 2.317 20 0 EEADMM CC(C)(C)OC(=O)C(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001589141591 1348964954 /nfs/dbraw/zinc/96/49/54/1348964954.db2.gz PQISYZAFMMLMKP-UHFFFAOYSA-N -1 1 338.364 2.009 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589500285 1348996998 /nfs/dbraw/zinc/99/69/98/1348996998.db2.gz YYQYVFLDIILKSJ-AAEUAGOBSA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589500285 1348997002 /nfs/dbraw/zinc/99/70/02/1348997002.db2.gz YYQYVFLDIILKSJ-AAEUAGOBSA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589507397 1348998213 /nfs/dbraw/zinc/99/82/13/1348998213.db2.gz JLUQSRHCGMYNMZ-CQSZACIVSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589507397 1348998217 /nfs/dbraw/zinc/99/82/17/1348998217.db2.gz JLUQSRHCGMYNMZ-CQSZACIVSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)C[C@H](C)C[C@H](C)OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589549756 1349002347 /nfs/dbraw/zinc/00/23/47/1349002347.db2.gz GPUSXBQZWGQSQW-SRVKXCTJSA-N -1 1 335.412 2.023 20 0 EEADMM CC(C)C[C@H](NCc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001589660525 1349016799 /nfs/dbraw/zinc/01/67/99/1349016799.db2.gz WIQZZCUTKTXFCC-AWEZNQCLSA-N -1 1 346.435 2.108 20 0 EEADMM CC(C)C[C@H](NCc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001589660525 1349016803 /nfs/dbraw/zinc/01/68/03/1349016803.db2.gz WIQZZCUTKTXFCC-AWEZNQCLSA-N -1 1 346.435 2.108 20 0 EEADMM CC(C)N(C)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001589678299 1349018924 /nfs/dbraw/zinc/01/89/24/1349018924.db2.gz CBFJYVZLNFCBBD-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC(C)N(C)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001589678299 1349018928 /nfs/dbraw/zinc/01/89/28/1349018928.db2.gz CBFJYVZLNFCBBD-UHFFFAOYSA-N -1 1 337.387 2.359 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)nc1 ZINC001589769064 1349034710 /nfs/dbraw/zinc/03/47/10/1349034710.db2.gz BDORLQSZLCNXOD-UHFFFAOYSA-N -1 1 349.398 2.373 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589899123 1349056513 /nfs/dbraw/zinc/05/65/13/1349056513.db2.gz FNCIUPDORILPOW-JTQLQIEISA-N -1 1 342.790 2.276 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589899123 1349056518 /nfs/dbraw/zinc/05/65/18/1349056518.db2.gz FNCIUPDORILPOW-JTQLQIEISA-N -1 1 342.790 2.276 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1c(F)cccc1Cl ZINC001589985607 1349094697 /nfs/dbraw/zinc/09/46/97/1349094697.db2.gz NETPYQMCHWPUFV-RTHLEPHNSA-N -1 1 348.769 2.010 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1c(F)cccc1Cl ZINC001589985607 1349094704 /nfs/dbraw/zinc/09/47/04/1349094704.db2.gz NETPYQMCHWPUFV-RTHLEPHNSA-N -1 1 348.769 2.010 20 0 EEADMM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590152850 1349175131 /nfs/dbraw/zinc/17/51/31/1349175131.db2.gz FCTLVLUQCWDGJJ-SFHVURJKSA-N -1 1 349.398 2.457 20 0 EEADMM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590152850 1349175138 /nfs/dbraw/zinc/17/51/38/1349175138.db2.gz FCTLVLUQCWDGJJ-SFHVURJKSA-N -1 1 349.398 2.457 20 0 EEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590167408 1349181638 /nfs/dbraw/zinc/18/16/38/1349181638.db2.gz FEJLJKGPRWVRDJ-UKRRQHHQSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590167408 1349181644 /nfs/dbraw/zinc/18/16/44/1349181644.db2.gz FEJLJKGPRWVRDJ-UKRRQHHQSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1c1cccc(F)c1 ZINC001590275424 1349245140 /nfs/dbraw/zinc/24/51/40/1349245140.db2.gz YVGQZXLPQCPZPL-QMTHXVAHSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCc2ccc(F)cc21 ZINC001590301091 1349251924 /nfs/dbraw/zinc/25/19/24/1349251924.db2.gz QSLFIGIFUMJGAN-JTQLQIEISA-N -1 1 341.346 2.401 20 0 EEADMM C[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCc2ccc(F)cc21 ZINC001590301091 1349251926 /nfs/dbraw/zinc/25/19/26/1349251926.db2.gz QSLFIGIFUMJGAN-JTQLQIEISA-N -1 1 341.346 2.401 20 0 EEADMM C/C=C/C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590356128 1349281440 /nfs/dbraw/zinc/28/14/40/1349281440.db2.gz XUEMJKFGOOXQSS-AAOUONPWSA-N -1 1 342.403 2.231 20 0 EEADMM C/C=C/C[C@@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590356128 1349281444 /nfs/dbraw/zinc/28/14/44/1349281444.db2.gz XUEMJKFGOOXQSS-AAOUONPWSA-N -1 1 342.403 2.231 20 0 EEADMM CCC(C)(C)CCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590375521 1349291344 /nfs/dbraw/zinc/29/13/44/1349291344.db2.gz LMBYKBVLWKTUKM-UHFFFAOYSA-N -1 1 333.396 2.218 20 0 EEADMM CC[C@@](O)(CCC(F)(F)F)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590474890 1349347492 /nfs/dbraw/zinc/34/74/92/1349347492.db2.gz HDCOHPLANAATKQ-CYBMUJFWSA-N -1 1 344.341 2.466 20 0 EEADMM CC[C@@](O)(CCC(F)(F)F)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590474890 1349347497 /nfs/dbraw/zinc/34/74/97/1349347497.db2.gz HDCOHPLANAATKQ-CYBMUJFWSA-N -1 1 344.341 2.466 20 0 EEADMM CC[C@@H](O)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001590477139 1349349639 /nfs/dbraw/zinc/34/96/39/1349349639.db2.gz NVHUUISOYVPLAL-SSDOTTSWSA-N -1 1 333.339 2.452 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590478951 1349351884 /nfs/dbraw/zinc/35/18/84/1349351884.db2.gz HSMWPCLBTGWHNO-LLVKDONJSA-N -1 1 337.405 2.104 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590478951 1349351895 /nfs/dbraw/zinc/35/18/95/1349351895.db2.gz HSMWPCLBTGWHNO-LLVKDONJSA-N -1 1 337.405 2.104 20 0 EEADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502521 1349357437 /nfs/dbraw/zinc/35/74/37/1349357437.db2.gz BMRWILINCLFNLZ-ZYHUDNBSSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502521 1349357440 /nfs/dbraw/zinc/35/74/40/1349357440.db2.gz BMRWILINCLFNLZ-ZYHUDNBSSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590506686 1349358867 /nfs/dbraw/zinc/35/88/67/1349358867.db2.gz GOONUHVDMHKGLP-ZJUUUORDSA-N -1 1 341.462 2.033 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590512662 1349362078 /nfs/dbraw/zinc/36/20/78/1349362078.db2.gz WIGCCDTXKYMZJK-YPMHNXCESA-N -1 1 330.392 2.186 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590512662 1349362086 /nfs/dbraw/zinc/36/20/86/1349362086.db2.gz WIGCCDTXKYMZJK-YPMHNXCESA-N -1 1 330.392 2.186 20 0 EEADMM CN(C)c1cc(CNc2cccnc2-c2nnn[n-]2)c2ccccc2n1 ZINC001591029106 1349431830 /nfs/dbraw/zinc/43/18/30/1349431830.db2.gz VTUPPAROPPMJGF-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1cc(CNc2cccnc2-c2nn[n-]n2)c2ccccc2n1 ZINC001591029106 1349431837 /nfs/dbraw/zinc/43/18/37/1349431837.db2.gz VTUPPAROPPMJGF-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CO[C@H](C)c1nc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)cs1 ZINC001591324792 1349461767 /nfs/dbraw/zinc/46/17/67/1349461767.db2.gz DWEYVQDKTWZGNJ-MRVPVSSYSA-N -1 1 349.372 2.289 20 0 EEADMM CO[C@H](C)c1nc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001591324792 1349461773 /nfs/dbraw/zinc/46/17/73/1349461773.db2.gz DWEYVQDKTWZGNJ-MRVPVSSYSA-N -1 1 349.372 2.289 20 0 EEADMM COC[C@H](c1ccc(Cl)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001591384264 1349478498 /nfs/dbraw/zinc/47/84/98/1349478498.db2.gz PYLQJLRWWVGNAQ-CYBMUJFWSA-N -1 1 345.794 2.134 20 0 EEADMM COC[C@H](c1ccc(Cl)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001591384264 1349478505 /nfs/dbraw/zinc/47/85/05/1349478505.db2.gz PYLQJLRWWVGNAQ-CYBMUJFWSA-N -1 1 345.794 2.134 20 0 EEADMM COCC1(CNC(=O)c2ccsc2-c2nnn[n-]2)CCCCC1 ZINC001591389827 1349479042 /nfs/dbraw/zinc/47/90/42/1349479042.db2.gz SYRWKDXGZWCYJJ-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM COCC1(CNC(=O)c2ccsc2-c2nn[n-]n2)CCCCC1 ZINC001591389827 1349479051 /nfs/dbraw/zinc/47/90/51/1349479051.db2.gz SYRWKDXGZWCYJJ-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM COc1ccc(OC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC001591619740 1349517258 /nfs/dbraw/zinc/51/72/58/1349517258.db2.gz UKSPDDSKMAJRBS-UHFFFAOYSA-N -1 1 344.302 2.242 20 0 EEADMM COc1ccc(OC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC001591619740 1349517263 /nfs/dbraw/zinc/51/72/63/1349517263.db2.gz UKSPDDSKMAJRBS-UHFFFAOYSA-N -1 1 344.302 2.242 20 0 EEADMM COc1ccccc1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591647191 1349524921 /nfs/dbraw/zinc/52/49/21/1349524921.db2.gz YZQOHZLLGKFIQT-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM Cc1cc(N(C)Cc2nc3ccccc3n2C)cc(-c2nnn[n-]2)n1 ZINC001591999908 1349581183 /nfs/dbraw/zinc/58/11/83/1349581183.db2.gz XSOGVCGNMNPCPY-UHFFFAOYSA-N -1 1 334.387 2.093 20 0 EEADMM Cc1cc(N(C)Cc2nc3ccccc3n2C)cc(-c2nn[n-]n2)n1 ZINC001591999908 1349581191 /nfs/dbraw/zinc/58/11/91/1349581191.db2.gz XSOGVCGNMNPCPY-UHFFFAOYSA-N -1 1 334.387 2.093 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001592074047 1349588954 /nfs/dbraw/zinc/58/89/54/1349588954.db2.gz DSRAWHCJUYOPND-UHFFFAOYSA-N -1 1 335.375 2.209 20 0 EEADMM Cc1[nH]nc(NCc2c[nH]nc2-c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001592074047 1349588958 /nfs/dbraw/zinc/58/89/58/1349588958.db2.gz DSRAWHCJUYOPND-UHFFFAOYSA-N -1 1 335.375 2.209 20 0 EEADMM Cc1cccnc1[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001592263734 1349613744 /nfs/dbraw/zinc/61/37/44/1349613744.db2.gz JNEPQXIWRFSALS-AWEZNQCLSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1cccnc1[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001592263734 1349613751 /nfs/dbraw/zinc/61/37/51/1349613751.db2.gz JNEPQXIWRFSALS-AWEZNQCLSA-N -1 1 337.387 2.092 20 0 EEADMM Cc1nc(NCCc2cn(C)c3ccccc23)cc(-c2nnn[n-]2)n1 ZINC001592391521 1349626905 /nfs/dbraw/zinc/62/69/05/1349626905.db2.gz NBVFURHJSADWIS-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1nc(NCCc2cn(C)c3ccccc23)cc(-c2nn[n-]n2)n1 ZINC001592391521 1349626908 /nfs/dbraw/zinc/62/69/08/1349626908.db2.gz NBVFURHJSADWIS-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592478329 1349635702 /nfs/dbraw/zinc/63/57/02/1349635702.db2.gz BJZVFJCTNVYWOH-AATRIKPKSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592478329 1349635704 /nfs/dbraw/zinc/63/57/04/1349635704.db2.gz BJZVFJCTNVYWOH-AATRIKPKSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(NC(=O)CCO[C@@H](C)CC(C)C)c1-c1nnn[n-]1 ZINC001592478745 1349635777 /nfs/dbraw/zinc/63/57/77/1349635777.db2.gz GNTHYWQQDBJNQO-VIFPVBQESA-N -1 1 338.437 2.411 20 0 EEADMM Cc1nsc(NC(=O)CCO[C@@H](C)CC(C)C)c1-c1nn[n-]n1 ZINC001592478745 1349635780 /nfs/dbraw/zinc/63/57/80/1349635780.db2.gz GNTHYWQQDBJNQO-VIFPVBQESA-N -1 1 338.437 2.411 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC001592503591 1349639949 /nfs/dbraw/zinc/63/99/49/1349639949.db2.gz UAZBGDLOHMWWPJ-MRVPVSSYSA-N -1 1 325.328 2.344 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC001592503591 1349639951 /nfs/dbraw/zinc/63/99/51/1349639951.db2.gz UAZBGDLOHMWWPJ-MRVPVSSYSA-N -1 1 325.328 2.344 20 0 EEADMM Clc1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001592528425 1349649251 /nfs/dbraw/zinc/64/92/51/1349649251.db2.gz QGFOJNSOCFOMNO-CYBMUJFWSA-N -1 1 327.779 2.295 20 0 EEADMM Clc1ccc2c(n1)CC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001592533182 1349649437 /nfs/dbraw/zinc/64/94/37/1349649437.db2.gz MYQIFJGFNVWVBH-QMMMGPOBSA-N -1 1 333.808 2.149 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3ncncc3-c3nn[n-]n3)[C@H]21 ZINC001592535703 1349651132 /nfs/dbraw/zinc/65/11/32/1349651132.db2.gz LUUAARTWBZBEPD-BIMULSAOSA-N -1 1 325.763 2.060 20 0 EEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001592551586 1349656451 /nfs/dbraw/zinc/65/64/51/1349656451.db2.gz QADPKCWGPMUVOE-INIZCTEOSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1c2ccccc2nc1[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001592551586 1349656452 /nfs/dbraw/zinc/65/64/52/1349656452.db2.gz QADPKCWGPMUVOE-INIZCTEOSA-N -1 1 346.398 2.490 20 0 EEADMM Fc1cc2ncc(Oc3cccnc3-c3nnn[n-]3)nc2cc1F ZINC001592642816 1349690179 /nfs/dbraw/zinc/69/01/79/1349690179.db2.gz FZYTWASPHBVWJZ-UHFFFAOYSA-N -1 1 327.254 2.275 20 0 EEADMM Fc1cc2ncc(Oc3cccnc3-c3nn[n-]n3)nc2cc1F ZINC001592642816 1349690184 /nfs/dbraw/zinc/69/01/84/1349690184.db2.gz FZYTWASPHBVWJZ-UHFFFAOYSA-N -1 1 327.254 2.275 20 0 EEADMM Fc1ccc([C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1Cl ZINC001592646139 1349691131 /nfs/dbraw/zinc/69/11/31/1349691131.db2.gz IRPYGMMKQWYDRM-ZDUSSCGKSA-N -1 1 345.769 2.434 20 0 EEADMM Fc1cccc(-n2ccc(NCC[C@H]3CCCO3)n2)c1-c1nn[n-]n1 ZINC001592654702 1349700244 /nfs/dbraw/zinc/70/02/44/1349700244.db2.gz KGYMHTBREICLMR-LLVKDONJSA-N -1 1 343.366 2.173 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593183077 1349744253 /nfs/dbraw/zinc/74/42/53/1349744253.db2.gz JMBLXXMLKRLHBH-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593183077 1349744258 /nfs/dbraw/zinc/74/42/58/1349744258.db2.gz JMBLXXMLKRLHBH-AWEZNQCLSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc2[nH]ccc2s1 ZINC001593195926 1349744634 /nfs/dbraw/zinc/74/46/34/1349744634.db2.gz HNYHRYNLFUQMQL-UHFFFAOYSA-N -1 1 340.372 2.262 20 0 EEADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(-c2nn[nH]n2)cn1 ZINC001593205648 1349745783 /nfs/dbraw/zinc/74/57/83/1349745783.db2.gz AKZKAQVYNYYTMY-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC(F)(C2CC2)CC1 ZINC001593244628 1349749284 /nfs/dbraw/zinc/74/92/84/1349749284.db2.gz VVTRQRNARUCEGZ-UHFFFAOYSA-N -1 1 331.355 2.008 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC(F)(C2CC2)CC1 ZINC001593244628 1349749286 /nfs/dbraw/zinc/74/92/86/1349749286.db2.gz VVTRQRNARUCEGZ-UHFFFAOYSA-N -1 1 331.355 2.008 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001593255446 1349751476 /nfs/dbraw/zinc/75/14/76/1349751476.db2.gz HXEVLGKDGLLGLZ-IUODEOHRSA-N -1 1 339.403 2.304 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC001593255446 1349751480 /nfs/dbraw/zinc/75/14/80/1349751480.db2.gz HXEVLGKDGLLGLZ-IUODEOHRSA-N -1 1 339.403 2.304 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593255028 1349751965 /nfs/dbraw/zinc/75/19/65/1349751965.db2.gz BPMRNGRBVLXZOK-XJKSGUPXSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001593255028 1349751968 /nfs/dbraw/zinc/75/19/68/1349751968.db2.gz BPMRNGRBVLXZOK-XJKSGUPXSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1nccc2cc[nH]c21)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593268765 1349756236 /nfs/dbraw/zinc/75/62/36/1349756236.db2.gz UAYDVXMWRJWMGK-UHFFFAOYSA-N -1 1 344.338 2.477 20 0 EEADMM O=C([O-])C[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593277379 1349759849 /nfs/dbraw/zinc/75/98/49/1349759849.db2.gz WVSVPRFIMIFTNQ-ZDUSSCGKSA-N -1 1 343.412 2.104 20 0 EEADMM O=C(OC[C@@H]1CCOC2(CCC2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593286576 1349764348 /nfs/dbraw/zinc/76/43/48/1349764348.db2.gz KPKSNZGZTQGCDH-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@@H]1CCOC2(CCC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593286576 1349764352 /nfs/dbraw/zinc/76/43/52/1349764352.db2.gz KPKSNZGZTQGCDH-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OCCCc1cscn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593289481 1349765597 /nfs/dbraw/zinc/76/55/97/1349765597.db2.gz QOVNBICWDXEOMN-UHFFFAOYSA-N -1 1 333.348 2.252 20 0 EEADMM O=C(OCCCc1cscn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593289481 1349765603 /nfs/dbraw/zinc/76/56/03/1349765603.db2.gz QOVNBICWDXEOMN-UHFFFAOYSA-N -1 1 333.348 2.252 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCc2cc(F)ccc21 ZINC001593297551 1349772243 /nfs/dbraw/zinc/77/22/43/1349772243.db2.gz KYCGMEOAFRMECJ-CYBMUJFWSA-N -1 1 328.303 2.372 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCc2cc(F)ccc21 ZINC001593297551 1349772247 /nfs/dbraw/zinc/77/22/47/1349772247.db2.gz KYCGMEOAFRMECJ-CYBMUJFWSA-N -1 1 328.303 2.372 20 0 EEADMM O=C(O[C@H]1C[C@@H](OCc2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593308366 1349776992 /nfs/dbraw/zinc/77/69/92/1349776992.db2.gz XKYMYLXWNQBFPE-OKILXGFUSA-N -1 1 340.339 2.364 20 0 EEADMM O=C(O[C@H]1C[C@@H](OCc2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593308366 1349776993 /nfs/dbraw/zinc/77/69/93/1349776993.db2.gz XKYMYLXWNQBFPE-OKILXGFUSA-N -1 1 340.339 2.364 20 0 EEADMM O=C(Oc1ccc(OCC2CC2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593308715 1349778146 /nfs/dbraw/zinc/77/81/46/1349778146.db2.gz MINXGDFLBJUUIM-UHFFFAOYSA-N -1 1 326.312 2.468 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC001593367005 1349791698 /nfs/dbraw/zinc/79/16/98/1349791698.db2.gz GHPOHKJXCSHWEA-GFCCVEGCSA-N -1 1 339.355 2.001 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC001593367005 1349791704 /nfs/dbraw/zinc/79/17/04/1349791704.db2.gz GHPOHKJXCSHWEA-GFCCVEGCSA-N -1 1 339.355 2.001 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@@H](F)C[C@H]1C(F)(F)F ZINC001593370287 1349792024 /nfs/dbraw/zinc/79/20/24/1349792024.db2.gz SRWOKNWXSDZJDB-XPUUQOCRSA-N -1 1 335.286 2.043 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N(c1ccccc1)[C@@H]1CCOC1 ZINC001593371569 1349792989 /nfs/dbraw/zinc/79/29/89/1349792989.db2.gz UHYFSYJFZLZKNX-CYBMUJFWSA-N -1 1 341.396 2.364 20 0 EEADMM O=S(=O)(NCCC1CC1)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001593439371 1349800084 /nfs/dbraw/zinc/80/00/84/1349800084.db2.gz VTUBPKATYHXUDH-UHFFFAOYSA-N -1 1 349.441 2.160 20 0 EEADMM O=S(=O)(c1ccc(-c2nnn[n-]2)s1)N1CCCCCCCC1 ZINC001593454379 1349801419 /nfs/dbraw/zinc/80/14/19/1349801419.db2.gz INSPJSKJJUKUDV-UHFFFAOYSA-N -1 1 341.462 2.273 20 0 EEADMM O=S(=O)(c1ccc(-c2nn[n-]n2)s1)N1CCCCCCCC1 ZINC001593454379 1349801421 /nfs/dbraw/zinc/80/14/21/1349801421.db2.gz INSPJSKJJUKUDV-UHFFFAOYSA-N -1 1 341.462 2.273 20 0 EEADMM O=c1c2c(Cl)cccc2ncn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593493452 1349818170 /nfs/dbraw/zinc/81/81/70/1349818170.db2.gz KNWFNDQXALQBNP-UHFFFAOYSA-N -1 1 344.787 2.340 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN1CCC[C@@H]1CC1CCCCC1 ZINC001593492848 1349818584 /nfs/dbraw/zinc/81/85/84/1349818584.db2.gz QPCSFBMSIRCIRQ-OAHLLOKOSA-N -1 1 342.447 2.421 20 0 EEADMM OC1(C2(CNc3nc(Cl)c(-c4nnn[n-]4)s3)CCC2)CCC1 ZINC001593511291 1349826198 /nfs/dbraw/zinc/82/61/98/1349826198.db2.gz UGBGNMKVHUOYJK-UHFFFAOYSA-N -1 1 340.840 2.474 20 0 EEADMM OC1(C2(CNc3nc(Cl)c(-c4nn[n-]n4)s3)CCC2)CCC1 ZINC001593511291 1349826202 /nfs/dbraw/zinc/82/62/02/1349826202.db2.gz UGBGNMKVHUOYJK-UHFFFAOYSA-N -1 1 340.840 2.474 20 0 EEADMM O[C@@H]1CCCC[C@H]1[C@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001593519369 1349829885 /nfs/dbraw/zinc/82/98/85/1349829885.db2.gz LVANOXTXLIJPQV-NUEKZKHPSA-N -1 1 328.420 2.172 20 0 EEADMM O[C@@H]1CCCC[C@H]1[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001593519369 1349829887 /nfs/dbraw/zinc/82/98/87/1349829887.db2.gz LVANOXTXLIJPQV-NUEKZKHPSA-N -1 1 328.420 2.172 20 0 EEADMM OCC[C@H]1CCc2ccccc2N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593530393 1349832415 /nfs/dbraw/zinc/83/24/15/1349832415.db2.gz DGGUSRXUJDIPJE-GFCCVEGCSA-N -1 1 342.428 2.027 20 0 EEADMM OCC[C@H]1CCc2ccccc2N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593530393 1349832420 /nfs/dbraw/zinc/83/24/20/1349832420.db2.gz DGGUSRXUJDIPJE-GFCCVEGCSA-N -1 1 342.428 2.027 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CSc1nncn1-c1ccccc1 ZINC001593570081 1349854630 /nfs/dbraw/zinc/85/46/30/1349854630.db2.gz SZCRUTUUDOMULR-UHFFFAOYSA-N -1 1 325.357 2.333 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CSc1nncn1-c1ccccc1 ZINC001593570081 1349854631 /nfs/dbraw/zinc/85/46/31/1349854631.db2.gz SZCRUTUUDOMULR-UHFFFAOYSA-N -1 1 325.357 2.333 20 0 EEADMM c1sc(Cn2cc(C3CCCCCC3)nn2)nc1-c1nnn[n-]1 ZINC001593595418 1349870055 /nfs/dbraw/zinc/87/00/55/1349870055.db2.gz RPMXIGMQBRUFLT-UHFFFAOYSA-N -1 1 330.421 2.401 20 0 EEADMM c1sc(Cn2cc(C3CCCCCC3)nn2)nc1-c1nn[n-]n1 ZINC001593595418 1349870058 /nfs/dbraw/zinc/87/00/58/1349870058.db2.gz RPMXIGMQBRUFLT-UHFFFAOYSA-N -1 1 330.421 2.401 20 0 EEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@@H]1C ZINC001594346188 1349875831 /nfs/dbraw/zinc/87/58/31/1349875831.db2.gz LTKUXRZOVDLSHX-KLHDSHLOSA-N -1 1 339.480 2.249 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H]2CCN(c3ccccc3F)C2=O)n1C ZINC001599995004 1349951621 /nfs/dbraw/zinc/95/16/21/1349951621.db2.gz WCKRGTIVFATZPZ-OAHLLOKOSA-N -1 1 345.374 2.066 20 0 EEADMM Cc1cc2c(CC(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])csc2s1 ZINC001600305989 1350015972 /nfs/dbraw/zinc/01/59/72/1350015972.db2.gz XBOIOGGRLOBQQZ-GFCCVEGCSA-N -1 1 349.437 2.349 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CC3(CC(=O)[O-])CC3)CC2)cc1F ZINC001600333943 1350022683 /nfs/dbraw/zinc/02/26/83/1350022683.db2.gz QFYVLQNMQMSHPU-UHFFFAOYSA-N -1 1 334.391 2.147 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC001600347267 1350025532 /nfs/dbraw/zinc/02/55/32/1350025532.db2.gz HVZVHOHTOVBVRY-AMIZOPFISA-N -1 1 329.356 2.427 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@]1(C)CCCO ZINC001600357806 1350029193 /nfs/dbraw/zinc/02/91/93/1350029193.db2.gz YGETXIMZRBCNOW-GOSISDBHSA-N -1 1 334.416 2.259 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC001600372621 1350033278 /nfs/dbraw/zinc/03/32/78/1350033278.db2.gz HVVSOEAWPZSZDH-HIFRSBDPSA-N -1 1 327.384 2.155 20 0 EEADMM Cc1ccc([C@H](N)C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001600380748 1350035226 /nfs/dbraw/zinc/03/52/26/1350035226.db2.gz SVSAAXYTUIEIGV-INIZCTEOSA-N -1 1 343.383 2.087 20 0 EEADMM Cc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC001600458439 1350057317 /nfs/dbraw/zinc/05/73/17/1350057317.db2.gz LYMNQDZMDGELMZ-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1cccc(O[C@H]2CCCC[C@H]2NCc2cn(CC(=O)[O-])nn2)c1 ZINC001600544235 1350078378 /nfs/dbraw/zinc/07/83/78/1350078378.db2.gz FGQJBAQXSHLPSI-SJORKVTESA-N -1 1 344.415 2.151 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc(C(C)C)nc2)cc1C(=O)[O-] ZINC001600747767 1350127064 /nfs/dbraw/zinc/12/70/64/1350127064.db2.gz XFMKNLSULFGNAV-UHFFFAOYSA-N -1 1 335.385 2.407 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2cccc3ccncc32)cc1C(=O)[O-] ZINC001600747895 1350127073 /nfs/dbraw/zinc/12/70/73/1350127073.db2.gz XCLVZVDZTCDPQS-UHFFFAOYSA-N -1 1 343.364 2.437 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2cc(C(=O)[O-])sc2C)[nH]1 ZINC001600799717 1350140051 /nfs/dbraw/zinc/14/00/51/1350140051.db2.gz SVYIZFJRTGUVAC-UHFFFAOYSA-N -1 1 326.403 2.302 20 0 EEADMM Cc1nonc1CN[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001600818421 1350143629 /nfs/dbraw/zinc/14/36/29/1350143629.db2.gz GDGITMZGRWJZKM-NSHDSACASA-N -1 1 345.277 2.062 20 0 EEADMM Cc1oc(CN(C)Cc2cccn(C(F)F)c2=O)cc1C(=O)[O-] ZINC001600843919 1350149779 /nfs/dbraw/zinc/14/97/79/1350149779.db2.gz ZOUPMBIHPXKZQZ-UHFFFAOYSA-N -1 1 326.299 2.475 20 0 EEADMM Cc1sc(NC(=O)CN[C@H](C[C@H]2CCCO2)C(=O)[O-])c(C)c1C ZINC001600887380 1350160966 /nfs/dbraw/zinc/16/09/66/1350160966.db2.gz LLEGPAVCQSBRIJ-CHWSQXEVSA-N -1 1 340.445 2.224 20 0 EEADMM Cn1c(CN[C@H]2CCN(c3ccccc3Cl)C2=O)ccc1C(=O)[O-] ZINC001600916995 1350167877 /nfs/dbraw/zinc/16/78/77/1350167877.db2.gz YMWOHBYHIOHRCG-ZDUSSCGKSA-N -1 1 347.802 2.272 20 0 EEADMM Cn1cnc2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)ccc21 ZINC001600990768 1350184244 /nfs/dbraw/zinc/18/42/44/1350184244.db2.gz DMROLFAAHNORDZ-UHFFFAOYSA-N -1 1 335.323 2.400 20 0 EEADMM O=C([O-])[C@H](C[C@H]1CCCO1)NCC(=O)Nc1cccc2ccccc21 ZINC001601326775 1350258103 /nfs/dbraw/zinc/25/81/03/1350258103.db2.gz YUDXWFFTMFKAFO-PBHICJAKSA-N -1 1 342.395 2.390 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1[nH]ncc1F)c1cccc(C(F)(F)F)c1 ZINC001601398538 1350274671 /nfs/dbraw/zinc/27/46/71/1350274671.db2.gz XPHSQGBXCYYLEZ-VIFPVBQESA-N -1 1 331.225 2.123 20 0 EEADMM O=C([O-])C1(C(=O)N2CCN[C@H](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC001601699543 1350341914 /nfs/dbraw/zinc/34/19/14/1350341914.db2.gz LFBOJCWBGBVLGT-MRXNPFEDSA-N -1 1 342.439 2.065 20 0 EEADMM O=C([O-])CCN(Cc1ncccc1Br)C1CCOCC1 ZINC001602008201 1350417712 /nfs/dbraw/zinc/41/77/12/1350417712.db2.gz LDDOHHFQDXFIPA-UHFFFAOYSA-N -1 1 343.221 2.300 20 0 EEADMM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1ccc(F)c2ccccc12 ZINC001602069005 1350430588 /nfs/dbraw/zinc/43/05/88/1350430588.db2.gz YWZOHHILUMIZRN-INIZCTEOSA-N -1 1 330.359 2.144 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2nnc(Cc3ccccc3F)s2)on1 ZINC001602248700 1350476076 /nfs/dbraw/zinc/47/60/76/1350476076.db2.gz FEROPUBZFSDYAE-UHFFFAOYSA-N -1 1 348.315 2.207 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccnc(N2CCCC2)c1 ZINC001602309452 1350490321 /nfs/dbraw/zinc/49/03/21/1350490321.db2.gz VYIIKXBNGHRRHW-AWEZNQCLSA-N -1 1 341.415 2.201 20 0 EEADMM O=C([O-])c1ccc(CN2CCc3cn[nH]c3C2)cc1Br ZINC001602339410 1350498301 /nfs/dbraw/zinc/49/83/01/1350498301.db2.gz LSTBSTXNHOSSPV-UHFFFAOYSA-N -1 1 336.189 2.429 20 0 EEADMM O=C([O-])c1cccc(C(=O)COC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC001602432071 1350518078 /nfs/dbraw/zinc/51/80/78/1350518078.db2.gz XUPGQPZUKVQTIY-UHFFFAOYSA-N -1 1 340.291 2.408 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC001602538236 1350541159 /nfs/dbraw/zinc/54/11/59/1350541159.db2.gz RZNFNOBZOYBMLC-UHFFFAOYSA-N -1 1 344.386 2.489 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001602636259 1350563104 /nfs/dbraw/zinc/56/31/04/1350563104.db2.gz YHQXHDVTWLLMBL-PKOBYXMFSA-N -1 1 338.363 2.317 20 0 EEADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC001603058031 1350629089 /nfs/dbraw/zinc/62/90/89/1350629089.db2.gz JQNKZONTLDNADR-LBPRGKRZSA-N -1 1 346.387 2.347 20 0 EEADMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H](CO)C(C)C ZINC001603224261 1350665399 /nfs/dbraw/zinc/66/53/99/1350665399.db2.gz UDSVAYPPFNLEFK-SWLSCSKDSA-N -1 1 345.451 2.235 20 0 EEADMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H](CO)C(C)C ZINC001603224261 1350665402 /nfs/dbraw/zinc/66/54/02/1350665402.db2.gz UDSVAYPPFNLEFK-SWLSCSKDSA-N -1 1 345.451 2.235 20 0 EEADMM CC(C)[C@H]1N(C(=O)c2cccc(-c3nnn[n-]3)n2)CC12CCCC2 ZINC001603251870 1350672533 /nfs/dbraw/zinc/67/25/33/1350672533.db2.gz JUSLKDNQMJCIAU-CQSZACIVSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)[C@H]1N(C(=O)c2cccc(-c3nn[n-]n3)n2)CC12CCCC2 ZINC001603251870 1350672536 /nfs/dbraw/zinc/67/25/36/1350672536.db2.gz JUSLKDNQMJCIAU-CQSZACIVSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)CCSCC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001603284580 1350679814 /nfs/dbraw/zinc/67/98/14/1350679814.db2.gz DMDRTPLDIUGCTG-UHFFFAOYSA-N -1 1 346.460 2.320 20 0 EEADMM CC(C)CCSCC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001603284580 1350679817 /nfs/dbraw/zinc/67/98/17/1350679817.db2.gz DMDRTPLDIUGCTG-UHFFFAOYSA-N -1 1 346.460 2.320 20 0 EEADMM C[C@@H](C1CC1)N(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C1CC1 ZINC001603437271 1350705112 /nfs/dbraw/zinc/70/51/12/1350705112.db2.gz VGZOECSSSLBUGU-QMMMGPOBSA-N -1 1 332.795 2.318 20 0 EEADMM C[C@@H](O)[C@@H](C)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001603694309 1350743672 /nfs/dbraw/zinc/74/36/72/1350743672.db2.gz TUDNSBWXEGIZBJ-GHMZBOCLSA-N -1 1 326.360 2.235 20 0 EEADMM C[C@@H](O)[C@@H](C)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001603694309 1350743676 /nfs/dbraw/zinc/74/36/76/1350743676.db2.gz TUDNSBWXEGIZBJ-GHMZBOCLSA-N -1 1 326.360 2.235 20 0 EEADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603737685 1350755432 /nfs/dbraw/zinc/75/54/32/1350755432.db2.gz ACRJQUKZORSCLM-MRVPVSSYSA-N -1 1 332.751 2.341 20 0 EEADMM CC1(C)CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)[C@@H]1C1CC1 ZINC001603782447 1350766463 /nfs/dbraw/zinc/76/64/63/1350766463.db2.gz KLGKTEDIFSUASK-CYBMUJFWSA-N -1 1 333.342 2.406 20 0 EEADMM CC1(C)CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)[C@@H]1C1CC1 ZINC001603782447 1350766464 /nfs/dbraw/zinc/76/64/64/1350766464.db2.gz KLGKTEDIFSUASK-CYBMUJFWSA-N -1 1 333.342 2.406 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603868297 1350787057 /nfs/dbraw/zinc/78/70/57/1350787057.db2.gz UTVZQFFLYFFMAZ-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603868297 1350787060 /nfs/dbraw/zinc/78/70/60/1350787060.db2.gz UTVZQFFLYFFMAZ-MLGOLLRUSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCC[C@]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)(C(=O)[O-])C1 ZINC001603887922 1350793951 /nfs/dbraw/zinc/79/39/51/1350793951.db2.gz TXCIIEUTWZCFMT-MGPLVRAMSA-N -1 1 333.367 2.129 20 0 EEADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603946156 1350811002 /nfs/dbraw/zinc/81/10/02/1350811002.db2.gz GWFARSYLYMKIFM-XPUUQOCRSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@H]1CO[C@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603946156 1350811007 /nfs/dbraw/zinc/81/10/07/1350811007.db2.gz GWFARSYLYMKIFM-XPUUQOCRSA-N -1 1 348.716 2.071 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2coc(-c3nnn[n-]3)c2)c(F)c1 ZINC001603975671 1350817894 /nfs/dbraw/zinc/81/78/94/1350817894.db2.gz BHFQLBPJOBGSIP-UHFFFAOYSA-N -1 1 330.275 2.411 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2coc(-c3nn[n-]n3)c2)c(F)c1 ZINC001603975671 1350817896 /nfs/dbraw/zinc/81/78/96/1350817896.db2.gz BHFQLBPJOBGSIP-UHFFFAOYSA-N -1 1 330.275 2.411 20 0 EEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604030249 1350834191 /nfs/dbraw/zinc/83/41/91/1350834191.db2.gz QEMOWMBLNIVEFA-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604030249 1350834198 /nfs/dbraw/zinc/83/41/98/1350834198.db2.gz QEMOWMBLNIVEFA-HNNXBMFYSA-N -1 1 336.399 2.403 20 0 EEADMM CCC1(C(=O)N[C@@H](C)[C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001604080731 1350849504 /nfs/dbraw/zinc/84/95/04/1350849504.db2.gz VLRZZNANMVAHNO-BDAKNGLRSA-N -1 1 349.464 2.127 20 0 EEADMM CCC1(CC)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001604084852 1350850692 /nfs/dbraw/zinc/85/06/92/1350850692.db2.gz NGUSFFOCQKHWBX-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM CCC1(CC)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001604084852 1350850695 /nfs/dbraw/zinc/85/06/95/1350850695.db2.gz NGUSFFOCQKHWBX-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM C[C@@H](CC(=O)[O-])C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC001604094815 1350855185 /nfs/dbraw/zinc/85/51/85/1350855185.db2.gz DGJQBRQMGJAMRK-VIFPVBQESA-N -1 1 325.434 2.349 20 0 EEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001604101640 1350857696 /nfs/dbraw/zinc/85/76/96/1350857696.db2.gz ZAWLOBIBSVKEDR-NXEZZACHSA-N -1 1 341.462 2.175 20 0 EEADMM CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001604101640 1350857697 /nfs/dbraw/zinc/85/76/97/1350857697.db2.gz ZAWLOBIBSVKEDR-NXEZZACHSA-N -1 1 341.462 2.175 20 0 EEADMM CCC[C@@H](CCO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604143465 1350872180 /nfs/dbraw/zinc/87/21/80/1350872180.db2.gz GTARQRNDMKKVNA-VIFPVBQESA-N -1 1 330.314 2.244 20 0 EEADMM CCC[C@@H](CCO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604143465 1350872183 /nfs/dbraw/zinc/87/21/83/1350872183.db2.gz GTARQRNDMKKVNA-VIFPVBQESA-N -1 1 330.314 2.244 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2ccc(-c3nn[nH]n3)cc2OC)n1 ZINC001604511209 1350952335 /nfs/dbraw/zinc/95/23/35/1350952335.db2.gz VFIHCIRMSNABTD-UHFFFAOYSA-N -1 1 344.400 2.226 20 0 EEADMM CCc1nn(Cc2ccc(C)c(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001604580026 1350963947 /nfs/dbraw/zinc/96/39/47/1350963947.db2.gz UUEBKIBKHGDMIR-UHFFFAOYSA-N -1 1 338.415 2.213 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1cnn(-c2ccccc2)c1 ZINC001604713610 1350989982 /nfs/dbraw/zinc/98/99/82/1350989982.db2.gz MEPJXSVYTLRTQW-NKGKWGDASA-N -1 1 341.411 2.467 20 0 EEADMM CN(CCCOC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001604755526 1350997412 /nfs/dbraw/zinc/99/74/12/1350997412.db2.gz CPKLGPYWRWUWBK-UHFFFAOYSA-N -1 1 327.344 2.143 20 0 EEADMM CN(CCCOC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604755526 1350997413 /nfs/dbraw/zinc/99/74/13/1350997413.db2.gz CPKLGPYWRWUWBK-UHFFFAOYSA-N -1 1 327.344 2.143 20 0 EEADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001604800432 1351008809 /nfs/dbraw/zinc/00/88/09/1351008809.db2.gz CGLFACGIRCXGTG-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CC[C@](C)(NCC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC001604912001 1351030937 /nfs/dbraw/zinc/03/09/37/1351030937.db2.gz AEALPRSJGJZZEC-SFHVURJKSA-N -1 1 333.432 2.458 20 0 EEADMM COCc1sccc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001605139592 1351087274 /nfs/dbraw/zinc/08/72/74/1351087274.db2.gz JVAUUVUMXVEUBC-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM COCc1sccc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001605139592 1351087276 /nfs/dbraw/zinc/08/72/76/1351087276.db2.gz JVAUUVUMXVEUBC-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM CC[C@@H]1CN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC001605179332 1351096737 /nfs/dbraw/zinc/09/67/37/1351096737.db2.gz PYUSUJDANXHHCJ-IDHHARJASA-N -1 1 349.427 2.308 20 0 EEADMM COc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])ccc1-c1nn[nH]n1 ZINC001605200382 1351101251 /nfs/dbraw/zinc/10/12/51/1351101251.db2.gz ULVZOYVHCDDSGF-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM COc1cc(F)cc(C[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001605224455 1351108898 /nfs/dbraw/zinc/10/88/98/1351108898.db2.gz NYIFJSJMQZBLFK-SECBINFHSA-N -1 1 343.366 2.156 20 0 EEADMM COc1cc(F)cc(C[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001605224455 1351108902 /nfs/dbraw/zinc/10/89/02/1351108902.db2.gz NYIFJSJMQZBLFK-SECBINFHSA-N -1 1 343.366 2.156 20 0 EEADMM COc1cc(NCc2ccnc(-c3nnn[n-]3)c2)c(C)c(OC)c1 ZINC001605230918 1351110924 /nfs/dbraw/zinc/11/09/24/1351110924.db2.gz NSJVTMOATSDPBL-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1cc(NCc2ccnc(-c3nn[n-]n3)c2)c(C)c(OC)c1 ZINC001605230918 1351110928 /nfs/dbraw/zinc/11/09/28/1351110928.db2.gz NSJVTMOATSDPBL-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM CCCCCC[C@@](O)(CN1CC[S@](=O)C(C)(C)CC1)C(=O)[O-] ZINC001605265827 1351120100 /nfs/dbraw/zinc/12/01/00/1351120100.db2.gz NOYQTJSILHMKOT-ZHRRBRCNSA-N -1 1 333.494 2.006 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605312260 1351133652 /nfs/dbraw/zinc/13/36/52/1351133652.db2.gz BNQSPWRDYOJZDJ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605312260 1351133656 /nfs/dbraw/zinc/13/36/56/1351133656.db2.gz BNQSPWRDYOJZDJ-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1cccc2[nH]c(NC(=O)c3ccsc3-c3nnn[n-]3)nc21 ZINC001605325708 1351137986 /nfs/dbraw/zinc/13/79/86/1351137986.db2.gz QWRPFGIDDWNPHY-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1cccc2[nH]c(NC(=O)c3ccsc3-c3nn[n-]n3)nc21 ZINC001605325708 1351137988 /nfs/dbraw/zinc/13/79/88/1351137988.db2.gz QWRPFGIDDWNPHY-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ncc(NC(=O)N[C@]2(C)CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605346366 1351141854 /nfs/dbraw/zinc/14/18/54/1351141854.db2.gz AJLSQZNTGDYXAI-MGPLVRAMSA-N -1 1 345.407 2.361 20 0 EEADMM COc1ncc(NC(=O)c2cccc3cc[nH]c32)cc1-c1nn[n-]n1 ZINC001605347674 1351142947 /nfs/dbraw/zinc/14/29/47/1351142947.db2.gz BIQHSIGOLOTILR-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM CCCn1cncc1CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001605388944 1351151857 /nfs/dbraw/zinc/15/18/57/1351151857.db2.gz SPZCTYHYPVWKSG-MRXNPFEDSA-N -1 1 342.399 2.034 20 0 EEADMM CCN(C(=O)CN1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C)c1ccccc1 ZINC001605396320 1351153696 /nfs/dbraw/zinc/15/36/96/1351153696.db2.gz SMNRKPYFVGIPRB-BSWAZPDLSA-N -1 1 346.427 2.135 20 0 EEADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC001605405585 1351155342 /nfs/dbraw/zinc/15/53/42/1351155342.db2.gz ZFQDQJKERMLGJM-RXMQYKEDSA-N -1 1 330.801 2.119 20 0 EEADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC001605405585 1351155344 /nfs/dbraw/zinc/15/53/44/1351155344.db2.gz ZFQDQJKERMLGJM-RXMQYKEDSA-N -1 1 330.801 2.119 20 0 EEADMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001605425633 1351156228 /nfs/dbraw/zinc/15/62/28/1351156228.db2.gz AWRXDSQZKWBJDF-OAHLLOKOSA-N -1 1 330.388 2.140 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001605560458 1351190718 /nfs/dbraw/zinc/19/07/18/1351190718.db2.gz USGVGDVVUTUXIP-ONGXEEELSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 ZINC001605560458 1351190719 /nfs/dbraw/zinc/19/07/19/1351190719.db2.gz USGVGDVVUTUXIP-ONGXEEELSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC001605562243 1351190797 /nfs/dbraw/zinc/19/07/97/1351190797.db2.gz GDGCESKNRBSXIL-OAHLLOKOSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@H](Cc3ccccc3)C2)c1 ZINC001605562243 1351190799 /nfs/dbraw/zinc/19/07/99/1351190799.db2.gz GDGCESKNRBSXIL-OAHLLOKOSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1cc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001605691373 1351216033 /nfs/dbraw/zinc/21/60/33/1351216033.db2.gz AMSQLOONUWZJPL-KRWDZBQOSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cc(N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001605691373 1351216035 /nfs/dbraw/zinc/21/60/35/1351216035.db2.gz AMSQLOONUWZJPL-KRWDZBQOSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N[C@@H]2CCN(c3ccc(F)cc3)C2)nc1-c1nnn[n-]1 ZINC001605871559 1351242668 /nfs/dbraw/zinc/24/26/68/1351242668.db2.gz HDMITROWIKXVMR-CYBMUJFWSA-N -1 1 339.378 2.400 20 0 EEADMM Cc1ccc(N[C@@H]2CCN(c3ccc(F)cc3)C2)nc1-c1nn[n-]n1 ZINC001605871559 1351242670 /nfs/dbraw/zinc/24/26/70/1351242670.db2.gz HDMITROWIKXVMR-CYBMUJFWSA-N -1 1 339.378 2.400 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605904461 1351250657 /nfs/dbraw/zinc/25/06/57/1351250657.db2.gz XRIRQQGTMAPLSL-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605904461 1351250661 /nfs/dbraw/zinc/25/06/61/1351250661.db2.gz XRIRQQGTMAPLSL-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1cccc(OCCCNc2ncncc2-c2nn[n-]n2)c1C ZINC001605923483 1351255215 /nfs/dbraw/zinc/25/52/15/1351255215.db2.gz LVNOTSYSUWGKIN-UHFFFAOYSA-N -1 1 325.376 2.155 20 0 EEADMM Cc1csc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001605998442 1351261814 /nfs/dbraw/zinc/26/18/14/1351261814.db2.gz KRDFLKSFNIYDQC-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1csc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001605998442 1351261816 /nfs/dbraw/zinc/26/18/16/1351261816.db2.gz KRDFLKSFNIYDQC-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC001606013511 1351263436 /nfs/dbraw/zinc/26/34/36/1351263436.db2.gz SHQOZLMSNHSZMZ-JTQLQIEISA-N -1 1 341.400 2.116 20 0 EEADMM CN(C)[C@@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001606012533 1351263581 /nfs/dbraw/zinc/26/35/81/1351263581.db2.gz XUGLHNMZCACHTP-DZKIICNBSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1nn(C)c2cc(NCc3nc(-c4nnn[n-]4)cs3)ccc12 ZINC001606112358 1351273112 /nfs/dbraw/zinc/27/31/12/1351273112.db2.gz JFMCWQXNOTXHML-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM Cc1nn(C)c2cc(NCc3nc(-c4nn[n-]n4)cs3)ccc12 ZINC001606112358 1351273115 /nfs/dbraw/zinc/27/31/15/1351273115.db2.gz JFMCWQXNOTXHML-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001606448262 1351304016 /nfs/dbraw/zinc/30/40/16/1351304016.db2.gz FWCHXEQADXHGAP-KBPBESRZSA-N -1 1 341.791 2.120 20 0 EEADMM COC(=O)c1cc(CN[C@@H](CO)c2ccsc2)cc(C(=O)[O-])c1 ZINC001606543832 1351320522 /nfs/dbraw/zinc/32/05/22/1351320522.db2.gz JUCVKJFQYDCHKI-AWEZNQCLSA-N -1 1 335.381 2.056 20 0 EEADMM O=C(Cc1cncc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606609490 1351331100 /nfs/dbraw/zinc/33/11/00/1351331100.db2.gz HDJGUJUGGSUMER-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)nn1)c1ccc(Oc2ccccc2)cc1 ZINC001606617564 1351332413 /nfs/dbraw/zinc/33/24/13/1351332413.db2.gz UZFUFYFOYJSYEW-UHFFFAOYSA-N -1 1 347.338 2.133 20 0 EEADMM COC(=O)c1cnc([C@H]2CCN(Cc3cc(C)c(C(=O)[O-])[nH]3)C2)s1 ZINC001606624393 1351333699 /nfs/dbraw/zinc/33/36/99/1351333699.db2.gz JCDVGOZSRFGFEM-JTQLQIEISA-N -1 1 349.412 2.254 20 0 EEADMM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1c([O-])cccc1Cl ZINC001606836922 1351364582 /nfs/dbraw/zinc/36/45/82/1351364582.db2.gz LCKSXUVDQDRXAV-UHFFFAOYSA-N -1 1 329.747 2.156 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cscc1Cl ZINC001606892221 1351370956 /nfs/dbraw/zinc/37/09/56/1351370956.db2.gz BLWQCAONYWSLLG-UHFFFAOYSA-N -1 1 335.780 2.434 20 0 EEADMM O=C(Nc1nnc(-c2ccco2)s1)c1csc(-c2nn[n-]n2)c1 ZINC001606954674 1351383770 /nfs/dbraw/zinc/38/37/70/1351383770.db2.gz XPSCWZVOKLTYQS-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM c1cc(-c2nc(Cc3ccc4c(c3)CCC4)no2)cc(-c2nnn[n-]2)n1 ZINC001607112969 1351423204 /nfs/dbraw/zinc/42/32/04/1351423204.db2.gz GKJLALSMCPZELI-UHFFFAOYSA-N -1 1 345.366 2.391 20 0 EEADMM c1cc(-c2nc(Cc3ccc4c(c3)CCC4)no2)cc(-c2nn[n-]n2)n1 ZINC001607112969 1351423206 /nfs/dbraw/zinc/42/32/06/1351423206.db2.gz GKJLALSMCPZELI-UHFFFAOYSA-N -1 1 345.366 2.391 20 0 EEADMM c1nc(CSc2cccnc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC001607127433 1351430187 /nfs/dbraw/zinc/43/01/87/1351430187.db2.gz XDDWQYVBRGBFAR-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nc(CSc2cccnc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC001607127433 1351430188 /nfs/dbraw/zinc/43/01/88/1351430188.db2.gz XDDWQYVBRGBFAR-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1ccc(C[C@@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)cc1 ZINC001607128267 1351431295 /nfs/dbraw/zinc/43/12/95/1351431295.db2.gz CBUQMLSWIPKRHV-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM c1ccc(C[C@@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)cc1 ZINC001607128267 1351431296 /nfs/dbraw/zinc/43/12/96/1351431296.db2.gz CBUQMLSWIPKRHV-OAHLLOKOSA-N -1 1 344.382 2.448 20 0 EEADMM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)CC[C@@H](C)O)c1 ZINC001607200121 1351448073 /nfs/dbraw/zinc/44/80/73/1351448073.db2.gz KVQMKJBLPHQDDY-RNCFNFMXSA-N -1 1 346.221 2.286 20 0 EEADMM COc1ccc(C(=O)NCCN[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001607206580 1351448945 /nfs/dbraw/zinc/44/89/45/1351448945.db2.gz JKOOBALWFREBDD-NSHDSACASA-N -1 1 332.356 2.067 20 0 EEADMM COc1ccc([C@@H](CCO)N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001607224228 1351452834 /nfs/dbraw/zinc/45/28/34/1351452834.db2.gz IJOZWZMBKPOYKR-CABCVRRESA-N -1 1 345.399 2.138 20 0 EEADMM COc1ccc([C@@H](CO)CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001607224978 1351452895 /nfs/dbraw/zinc/45/28/95/1351452895.db2.gz NLHNYJRKAIICGN-CMPLNLGQSA-N -1 1 336.413 2.277 20 0 EEADMM CSCc1n[nH]c(CNCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001607400480 1351487979 /nfs/dbraw/zinc/48/79/79/1351487979.db2.gz GIMSJRKVNYEZIS-UHFFFAOYSA-N -1 1 326.809 2.309 20 0 EEADMM CSCc1nnc(CNCc2cc(C(=O)[O-])ccc2Cl)[nH]1 ZINC001607400480 1351487983 /nfs/dbraw/zinc/48/79/83/1351487983.db2.gz GIMSJRKVNYEZIS-UHFFFAOYSA-N -1 1 326.809 2.309 20 0 EEADMM Cc1cc(C)cc([C@H](NC(=O)CCCCc2c[nH]nn2)C(=O)[O-])c1 ZINC001607626187 1351528199 /nfs/dbraw/zinc/52/81/99/1351528199.db2.gz SPZGBWNCDCUMTJ-INIZCTEOSA-N -1 1 330.388 2.076 20 0 EEADMM Cc1cc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001607688536 1351540008 /nfs/dbraw/zinc/54/00/08/1351540008.db2.gz WFBCXBDSSYOEBO-ZIAGYGMSSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(CO)ccc1C ZINC001607784645 1351558379 /nfs/dbraw/zinc/55/83/79/1351558379.db2.gz ZGJZNCGBYDFHFX-UHFFFAOYSA-N -1 1 341.410 2.356 20 0 EEADMM Cc1nc([C@@H](C)NCc2c3cc(F)ccc3n(C)c2C(=O)[O-])n[nH]1 ZINC001608013026 1351604525 /nfs/dbraw/zinc/60/45/25/1351604525.db2.gz FHJJGTLLJVODJI-MRVPVSSYSA-N -1 1 331.351 2.293 20 0 EEADMM Cc1oc2ccccc2c1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001608054498 1351615391 /nfs/dbraw/zinc/61/53/91/1351615391.db2.gz MRCCFHMPRZRNAH-GFCCVEGCSA-N -1 1 330.384 2.362 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001608412062 1351689412 /nfs/dbraw/zinc/68/94/12/1351689412.db2.gz ZPHPOEABJKZMEZ-IRXDYDNUSA-N -1 1 339.395 2.102 20 0 EEADMM O=C([O-])C1(CNC(=O)NCc2ccc3cncn3c2)CCCCC1 ZINC001608470712 1351701233 /nfs/dbraw/zinc/70/12/33/1351701233.db2.gz INQBDOXTTUTUAS-UHFFFAOYSA-N -1 1 330.388 2.169 20 0 EEADMM Cc1nnsc1C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001622189684 1352379360 /nfs/dbraw/zinc/37/93/60/1352379360.db2.gz LZXHXRMSEYHFFL-UHFFFAOYSA-N -1 1 327.362 2.210 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)n[nH]1 ZINC001627261066 1352489054 /nfs/dbraw/zinc/48/90/54/1352489054.db2.gz DPLVTHPQSSOVPJ-UHFFFAOYSA-N -1 1 343.343 2.199 20 0 EEADMM CSc1nc(CNC(=O)c2[nH]nc3ccc(Cl)cc32)cc(=O)[n-]1 ZINC001627727652 1352507687 /nfs/dbraw/zinc/50/76/87/1352507687.db2.gz JSCWZRSBFXNVED-UHFFFAOYSA-N -1 1 349.803 2.364 20 0 EEADMM Cn1cnc2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)nc21 ZINC001629758946 1352557978 /nfs/dbraw/zinc/55/79/78/1352557978.db2.gz YKOFUKKWNTTYHT-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCOC1 ZINC001649237345 1352580721 /nfs/dbraw/zinc/58/07/21/1352580721.db2.gz IEQCNFYTSUHKJA-FRRDWIJNSA-N -1 1 346.435 2.035 20 0 EEADMM O=C(CCc1ccco1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001633626841 1352614923 /nfs/dbraw/zinc/61/49/23/1352614923.db2.gz PCTLOWWCBYUEAY-CQSZACIVSA-N -1 1 349.753 2.424 20 0 EEADMM O=C(Nc1cccc2[nH]nnc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001637135925 1352673039 /nfs/dbraw/zinc/67/30/39/1352673039.db2.gz MUPUSRGPZMFGKS-UHFFFAOYSA-N -1 1 338.302 2.241 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cccn2c(=O)[nH]nc12 ZINC001641126352 1352718237 /nfs/dbraw/zinc/71/82/37/1352718237.db2.gz QUJUJXMWTRIBMJ-UHFFFAOYSA-N -1 1 349.144 2.155 20 0 EEADMM Cc1c(C(=O)N(CC(=O)[O-])Cc2ccccc2)n[nH]c1C(F)(F)F ZINC001646905018 1353038301 /nfs/dbraw/zinc/03/83/01/1353038301.db2.gz UYAMDIROMHFKDU-UHFFFAOYSA-N -1 1 341.289 2.464 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NCc2cnc(C)n2C)cc1OC ZINC001647411731 1353268134 /nfs/dbraw/zinc/26/81/34/1353268134.db2.gz DKAXCNKDLLPGNR-CQSZACIVSA-N -1 1 333.388 2.051 20 0 EEADMM O=C(NC[C@H]1CCC[C@H](O)C1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001647458275 1353285051 /nfs/dbraw/zinc/28/50/51/1353285051.db2.gz VWFLPXVXTMEDTL-WFASDCNBSA-N -1 1 330.388 2.251 20 0 EEADMM CSCC[C@@H](C)N(C)c1nnc(-c2c[n-][nH]c2=O)n1CC1CC1 ZINC001650529678 1353975052 /nfs/dbraw/zinc/97/50/52/1353975052.db2.gz VFOMURGEBGWZRW-SNVBAGLBSA-N -1 1 336.465 2.362 20 0 EEADMM Cc1cccc(-n2cc(C(=O)CSc3ncc(C)c(=O)[n-]3)nn2)c1 ZINC001652851340 1354105518 /nfs/dbraw/zinc/10/55/18/1354105518.db2.gz GTONICWROHPAGM-UHFFFAOYSA-N -1 1 341.396 2.355 20 0 EEADMM CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1c[n-][nH]c1=O ZINC001654603158 1354153603 /nfs/dbraw/zinc/15/36/03/1354153603.db2.gz BMDITNWHMTYDJP-UHFFFAOYSA-N -1 1 327.344 2.342 20 0 EEADMM O=S(=O)([N-]c1ccc(C2OCCO2)cc1)c1ccc2c(c1)OCO2 ZINC000074854415 1354369597 /nfs/dbraw/zinc/36/95/97/1354369597.db2.gz JTSZUOSVPGVADR-UHFFFAOYSA-N -1 1 349.364 2.262 20 0 EEADMM O=S(=O)([N-]Cc1nc(C(F)F)no1)c1cc2ccccc2o1 ZINC001662587403 1354808832 /nfs/dbraw/zinc/80/88/32/1354808832.db2.gz CVVXZPJVNXASQH-UHFFFAOYSA-N -1 1 329.284 2.232 20 0 EEADMM O=C(NCCc1nccs1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001663807835 1355036890 /nfs/dbraw/zinc/03/68/90/1355036890.db2.gz GRVCVWBDCBTJAA-UHFFFAOYSA-N -1 1 329.385 2.399 20 0 EEADMM O=S(=O)([N-]Cc1ccc2nonc2c1)c1sccc1Cl ZINC001666604148 1355551694 /nfs/dbraw/zinc/55/16/94/1355551694.db2.gz LFSPRIBXMBPRDV-UHFFFAOYSA-N -1 1 329.790 2.416 20 0 EEADMM CC(C)[C@H](CNC(=O)C1CC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001388904263 1387794518 /nfs/dbraw/zinc/79/45/18/1387794518.db2.gz YAPXWDVXNXCERY-ZDUSSCGKSA-N -1 1 333.432 2.094 20 0 EEADMM COc1cnc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nc1 ZINC000815587813 1368042005 /nfs/dbraw/zinc/04/20/05/1368042005.db2.gz UHPDJSHCOVHEDO-UHFFFAOYSA-N -1 1 331.332 2.395 20 0 EEADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccn1 ZINC001185490009 1368158272 /nfs/dbraw/zinc/15/82/72/1368158272.db2.gz VROSTPMEDBWECZ-UHFFFAOYSA-N -1 1 340.788 2.053 20 0 EEADMM Nc1ncc(Cl)nc1NC(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190260556 1368403345 /nfs/dbraw/zinc/40/33/45/1368403345.db2.gz IZYWZZFPLKPHTP-UHFFFAOYSA-N -1 1 342.746 2.127 20 0 EEADMM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000867159743 1368584564 /nfs/dbraw/zinc/58/45/64/1368584564.db2.gz UNCDHGLLVMNKFO-QMMMGPOBSA-N -1 1 336.255 2.419 20 0 EEADMM CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852369099 1369265821 /nfs/dbraw/zinc/26/58/21/1369265821.db2.gz UKLJRPBZKBXTPC-WYUUTHIRSA-N -1 1 335.370 2.131 20 0 EEADMM CCc1cc(C(=O)N2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)n[nH]1 ZINC000864224158 1369581337 /nfs/dbraw/zinc/58/13/37/1369581337.db2.gz QQMPIMVNRXANAX-UHFFFAOYSA-N -1 1 348.428 2.455 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCc1ccsc1 ZINC001389399459 1388104066 /nfs/dbraw/zinc/10/40/66/1388104066.db2.gz OSMWCVOYYIBELT-LBPRGKRZSA-N -1 1 347.440 2.106 20 0 EEADMM COC(=O)c1ccc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)[n-]1 ZINC000796906118 1371481251 /nfs/dbraw/zinc/48/12/51/1371481251.db2.gz FJFOEMURCDEEKN-ZDUSSCGKSA-N -1 1 328.368 2.485 20 0 EEADMM O=C([N-]CCCOC(=O)c1cnc2ccccc2c1)C(F)(F)F ZINC000838361910 1372842598 /nfs/dbraw/zinc/84/25/98/1372842598.db2.gz PTFOERNSHQQMIX-UHFFFAOYSA-N -1 1 326.274 2.460 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCCC1CCC1 ZINC000847334180 1372988427 /nfs/dbraw/zinc/98/84/27/1372988427.db2.gz JCNNWFLDSZBXQM-ZYHUDNBSSA-N -1 1 335.370 2.418 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCCCS1 ZINC000848341051 1373136713 /nfs/dbraw/zinc/13/67/13/1373136713.db2.gz MQDZBXYCMRPBLD-MXWKQRLJSA-N -1 1 338.395 2.330 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C ZINC001362115623 1373367244 /nfs/dbraw/zinc/36/72/44/1373367244.db2.gz FDDIGUGWJSYOPI-UHFFFAOYSA-N -1 1 327.340 2.407 20 0 EEADMM CCC(CC)(NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)c1nn[n-]n1 ZINC001362421771 1373405886 /nfs/dbraw/zinc/40/58/86/1373405886.db2.gz GLOZNPJLPBGSLC-GFCCVEGCSA-N -1 1 343.431 2.287 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001362435925 1373409632 /nfs/dbraw/zinc/40/96/32/1373409632.db2.gz RTECJNSPWCMWKJ-SFYZADRCSA-N -1 1 339.339 2.370 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1cc(Cl)ccc1F ZINC001363968452 1373564342 /nfs/dbraw/zinc/56/43/42/1373564342.db2.gz MRMQQBQSUTUGAI-SSDOTTSWSA-N -1 1 328.818 2.102 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCc2cccc(F)c2)c1 ZINC001364752094 1373617153 /nfs/dbraw/zinc/61/71/53/1373617153.db2.gz YZHBLIKQUQHTPC-UHFFFAOYSA-N -1 1 325.361 2.061 20 0 EEADMM CC(C)OC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001365470413 1373723566 /nfs/dbraw/zinc/72/35/66/1373723566.db2.gz MYSZEXAMBUXGGN-UHFFFAOYSA-N -1 1 337.800 2.488 20 0 EEADMM Cc1cc(C(=O)NC2(CNCc3n[nH]c(=O)[n-]3)CCCC2)sc1C ZINC001367164771 1374109691 /nfs/dbraw/zinc/10/96/91/1374109691.db2.gz UEOFESKUIWPOFY-UHFFFAOYSA-N -1 1 349.460 2.021 20 0 EEADMM CCC(CC)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001370814488 1375044548 /nfs/dbraw/zinc/04/45/48/1375044548.db2.gz DHKNNJJPNCTXQH-OCCSQVGLSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)CCCC1CC1 ZINC001370883673 1375099889 /nfs/dbraw/zinc/09/98/89/1375099889.db2.gz NQMKZWUOXXHKPQ-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CC[C@H](CNC(=O)c1c(C)cccc1C)NC(=O)c1ncccc1[O-] ZINC001375252954 1377543599 /nfs/dbraw/zinc/54/35/99/1377543599.db2.gz RLZUCTRLWXEYBK-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM CCC[C@H](C)C(=O)N[C@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001390468691 1388645711 /nfs/dbraw/zinc/64/57/11/1388645711.db2.gz PIEQMVBQSGAIDZ-WCQYABFASA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001379953626 1380960970 /nfs/dbraw/zinc/96/09/70/1380960970.db2.gz CTONQLSOVGIZDP-AWEZNQCLSA-N -1 1 347.459 2.438 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)CCC1 ZINC001382646233 1382163951 /nfs/dbraw/zinc/16/39/51/1382163951.db2.gz GAKYYTPMFINYKQ-UONOGXRCSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@](CNC(=O)c1cccs1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390828437 1388805105 /nfs/dbraw/zinc/80/51/05/1388805105.db2.gz PVGHYGVSEDMTRG-KRWDZBQOSA-N -1 1 345.424 2.177 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]2C)CC1 ZINC001384498927 1384239168 /nfs/dbraw/zinc/23/91/68/1384239168.db2.gz MWOCFECWXJENDZ-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CCNC(=O)CC1CC1 ZINC001385016709 1385344959 /nfs/dbraw/zinc/34/49/59/1385344959.db2.gz GMEOAKLEXBMERK-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@H](C)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385255606 1385403072 /nfs/dbraw/zinc/40/30/72/1385403072.db2.gz STXGHSRAAFNKAS-ZIAGYGMSSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](NC(=O)C(C)(C)C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386463888 1386153790 /nfs/dbraw/zinc/15/37/90/1386153790.db2.gz NANIFICJKCESKX-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001387696115 1386947238 /nfs/dbraw/zinc/94/72/38/1386947238.db2.gz NXYLCGUYQDFAKN-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)C[C@H](CNC(=O)CCC1CC1)NC(=O)c1ncccc1[O-] ZINC001391397763 1389342287 /nfs/dbraw/zinc/34/22/87/1389342287.db2.gz ZJDFKAIIBQCYGY-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CNC(=O)C1[C@H]2CCCCCC[C@H]12)NC(=O)c1ncccc1[O-] ZINC001392291696 1389955213 /nfs/dbraw/zinc/95/52/13/1389955213.db2.gz BAKGRLJHULGVTJ-RDBSUJKOSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CCC1CCCC1 ZINC001394811365 1390749954 /nfs/dbraw/zinc/74/99/54/1390749954.db2.gz FMPXOEWYGIIYBA-CYBMUJFWSA-N -1 1 337.468 2.101 20 0 EEADMM CN(CC(C)(C)CNC(=O)C1CCCC1)C(=O)c1ncccc1[O-] ZINC001395013740 1390772092 /nfs/dbraw/zinc/77/20/92/1390772092.db2.gz AKHQLFZLRXHQOV-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001395061734 1390780165 /nfs/dbraw/zinc/78/01/65/1390780165.db2.gz BVFXPQOWCRCCJI-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM Cc1cc(C)c(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001395583185 1390841001 /nfs/dbraw/zinc/84/10/01/1390841001.db2.gz LTKCHLHKHFMMJH-NSHDSACASA-N -1 1 347.440 2.356 20 0 EEADMM C[C@@H](C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001398312976 1392164330 /nfs/dbraw/zinc/16/43/30/1392164330.db2.gz RMJRAHHBJYDPBP-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)cc1C ZINC001400663955 1396509061 /nfs/dbraw/zinc/50/90/61/1396509061.db2.gz HLFZLVACFKBJQY-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM CCCCCC(=O)N1CCC[C@H]([C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001755202912 1407214166 /nfs/dbraw/zinc/21/41/66/1407214166.db2.gz NZXQIZVLMWYVRA-GJZGRUSLSA-N -1 1 349.479 2.151 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001428864085 1402827310 /nfs/dbraw/zinc/82/73/10/1402827310.db2.gz KNOOWUCVVKARJK-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(CCC(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431465304 1403074554 /nfs/dbraw/zinc/07/45/54/1403074554.db2.gz QRPJXUPEZQKNQF-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(Cc2sccc2Cl)CC1 ZINC001433425352 1403394201 /nfs/dbraw/zinc/39/42/01/1403394201.db2.gz WHYRQLCBMPHODG-UHFFFAOYSA-N -1 1 337.832 2.460 20 0 EEADMM CC(C)CC1(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])CCC1 ZINC001433771373 1403431136 /nfs/dbraw/zinc/43/11/36/1403431136.db2.gz GNUUODBOHNTRIQ-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CCc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)s1 ZINC001578523434 1403768193 /nfs/dbraw/zinc/76/81/93/1403768193.db2.gz PBMPUTLVBFBUJI-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM CCc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)s1 ZINC001578523434 1403768196 /nfs/dbraw/zinc/76/81/96/1403768196.db2.gz PBMPUTLVBFBUJI-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM COc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001579890691 1403792915 /nfs/dbraw/zinc/79/29/15/1403792915.db2.gz PSUNSKVHEMRCHT-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001579890691 1403792927 /nfs/dbraw/zinc/79/29/27/1403792927.db2.gz PSUNSKVHEMRCHT-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc2ccccc2c1CCNc1nccnc1-c1nnn[n-]1 ZINC001580051719 1403817701 /nfs/dbraw/zinc/81/77/01/1403817701.db2.gz QCWNAAXWLGTBOG-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ccc2ccccc2c1CCNc1nccnc1-c1nn[n-]n1 ZINC001580051719 1403817709 /nfs/dbraw/zinc/81/77/09/1403817709.db2.gz QCWNAAXWLGTBOG-UHFFFAOYSA-N -1 1 347.382 2.473 20 0 EEADMM COc1ncc(NC(=O)NC(C(C)C)C(C)C)cc1-c1nn[n-]n1 ZINC001580136969 1403833267 /nfs/dbraw/zinc/83/32/67/1403833267.db2.gz VGQMWMQVTWTAKA-UHFFFAOYSA-N -1 1 333.396 2.072 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001581207512 1403877862 /nfs/dbraw/zinc/87/78/62/1403877862.db2.gz OYWRRDDPODXXIG-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001581207512 1403877868 /nfs/dbraw/zinc/87/78/68/1403877868.db2.gz OYWRRDDPODXXIG-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM CSCc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001591700808 1403940309 /nfs/dbraw/zinc/94/03/09/1403940309.db2.gz ZOTLQILNBBQXJN-UHFFFAOYSA-N -1 1 329.385 2.253 20 0 EEADMM CSCc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001591700808 1403940316 /nfs/dbraw/zinc/94/03/16/1403940316.db2.gz ZOTLQILNBBQXJN-UHFFFAOYSA-N -1 1 329.385 2.253 20 0 EEADMM C[Si](C)(C)c1ccc(COc2cccnc2-c2nnn[n-]2)cc1 ZINC001591780023 1403945292 /nfs/dbraw/zinc/94/52/92/1403945292.db2.gz REVFYAXNEQSDDV-UHFFFAOYSA-N -1 1 325.448 2.386 20 0 EEADMM C[Si](C)(C)c1ccc(COc2cccnc2-c2nn[n-]n2)cc1 ZINC001591780023 1403945298 /nfs/dbraw/zinc/94/52/98/1403945298.db2.gz REVFYAXNEQSDDV-UHFFFAOYSA-N -1 1 325.448 2.386 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC001591894006 1403970713 /nfs/dbraw/zinc/97/07/13/1403970713.db2.gz VTNXTEWIBLAOSA-LBPRGKRZSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCOC3(CCCCC3)C2)n1 ZINC001591894006 1403970721 /nfs/dbraw/zinc/97/07/21/1403970721.db2.gz VTNXTEWIBLAOSA-LBPRGKRZSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592138250 1404005090 /nfs/dbraw/zinc/00/50/90/1404005090.db2.gz VGNOOPJHCVWLKQ-QMTHXVAHSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592138250 1404005095 /nfs/dbraw/zinc/00/50/95/1404005095.db2.gz VGNOOPJHCVWLKQ-QMTHXVAHSA-N -1 1 343.412 2.089 20 0 EEADMM Fc1cccnc1OCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592661251 1404705572 /nfs/dbraw/zinc/70/55/72/1404705572.db2.gz PUCMYTDPEBUVKD-UHFFFAOYSA-N -1 1 341.759 2.002 20 0 EEADMM Fc1cccnc1OCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592661251 1404705577 /nfs/dbraw/zinc/70/55/77/1404705577.db2.gz PUCMYTDPEBUVKD-UHFFFAOYSA-N -1 1 341.759 2.002 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2CC23CCOCC3)c1 ZINC001606293004 1404780094 /nfs/dbraw/zinc/78/00/94/1404780094.db2.gz DAXVTMLZDOSWAS-SNVBAGLBSA-N -1 1 340.309 2.262 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2CC23CCOCC3)c1 ZINC001606293004 1404780097 /nfs/dbraw/zinc/78/00/97/1404780097.db2.gz DAXVTMLZDOSWAS-SNVBAGLBSA-N -1 1 340.309 2.262 20 0 EEADMM Fc1cc(Oc2nnccc2-c2nnn[n-]2)ccc1Br ZINC001606312752 1404788681 /nfs/dbraw/zinc/78/86/81/1404788681.db2.gz BZYUFNOQSBQXQG-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Oc2nnccc2-c2nn[n-]n2)ccc1Br ZINC001606312752 1404788682 /nfs/dbraw/zinc/78/86/82/1404788682.db2.gz BZYUFNOQSBQXQG-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccccc1C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001606336338 1404797461 /nfs/dbraw/zinc/79/74/61/1404797461.db2.gz YNDVCKQIMRKSQE-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1ccccc1C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001606336338 1404797472 /nfs/dbraw/zinc/79/74/72/1404797472.db2.gz YNDVCKQIMRKSQE-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)c1ncc[n-]1 ZINC001665028943 1404895812 /nfs/dbraw/zinc/89/58/12/1404895812.db2.gz OLLHPZWXQRQYOA-MRVPVSSYSA-N -1 1 339.808 2.321 20 0 EEADMM CC(=O)c1cccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1 ZINC000360992606 1405773701 /nfs/dbraw/zinc/77/37/01/1405773701.db2.gz JATFSHWIRXVODR-UHFFFAOYSA-N -1 1 337.339 2.234 20 0 EEADMM CCOC[C@@H](NCc1c(Cl)nc2cc(Cl)ccn21)C(=O)[O-] ZINC001771909885 1409977319 /nfs/dbraw/zinc/97/73/19/1409977319.db2.gz GPQKVZFWCSBLEL-SECBINFHSA-N -1 1 332.187 2.220 20 0 EEADMM C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864329078 1410461276 /nfs/dbraw/zinc/46/12/76/1410461276.db2.gz QVLIRBVJWHXXSM-JQWIXIFHSA-N -1 1 344.419 2.059 20 0 EEADMM CCc1cnc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)o1 ZINC000864330701 1410461793 /nfs/dbraw/zinc/46/17/93/1410461793.db2.gz GRIRXKVFOIDISD-CYBMUJFWSA-N -1 1 343.431 2.322 20 0 EEADMM Cc1conc1CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ncccc1[O-] ZINC001087154736 759691112 /nfs/dbraw/zinc/69/11/12/759691112.db2.gz HZUDZBJVFMLWQA-OCCSQVGLSA-N -1 1 344.415 2.114 20 0 EEADMM O=C(NCc1nc(CNCc2ccc(F)cc2)cc(=O)[nH]1)C1CCC1 ZINC001087254207 761175602 /nfs/dbraw/zinc/17/56/02/761175602.db2.gz XXYGXTWHTNBVKA-UHFFFAOYSA-N -1 1 344.390 2.027 20 0 EEADMM CCCc1nsc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536745 761715728 /nfs/dbraw/zinc/71/57/28/761715728.db2.gz VFUAIUJTWRIISP-SNVBAGLBSA-N -1 1 335.433 2.164 20 0 EEADMM O=C(NCC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1)c1ncccc1[O-] ZINC001031628292 770453270 /nfs/dbraw/zinc/45/32/70/770453270.db2.gz GVLHFLGOUKTHSQ-NSHDSACASA-N -1 1 344.242 2.033 20 0 EEADMM CCC(CC)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979697380 770888068 /nfs/dbraw/zinc/88/80/68/770888068.db2.gz ITLGVXKNQTXILG-ZNMIVQPWSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2occc2C)C1 ZINC000942754553 783118606 /nfs/dbraw/zinc/11/86/06/783118606.db2.gz CEWWWPRYQNFRTC-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000938757642 774575774 /nfs/dbraw/zinc/57/57/74/774575774.db2.gz JEVXHDCHGLIYHE-AWEZNQCLSA-N -1 1 339.395 2.049 20 0 EEADMM CC(=O)Nc1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167931501 780961989 /nfs/dbraw/zinc/96/19/89/780961989.db2.gz DWCBBTAGGIINBC-UHFFFAOYSA-N -1 1 347.311 2.125 20 0 EEADMM Nc1cc(Cl)cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167932990 780973317 /nfs/dbraw/zinc/97/33/17/780973317.db2.gz CMYIQVZNARKHLA-UHFFFAOYSA-N -1 1 339.719 2.402 20 0 EEADMM COc1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1F ZINC001167936320 781000118 /nfs/dbraw/zinc/00/01/18/781000118.db2.gz ZYZHARGYOUROTB-UHFFFAOYSA-N -1 1 338.275 2.314 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C1(C)CC=CC1 ZINC000945278725 783753840 /nfs/dbraw/zinc/75/38/40/783753840.db2.gz IZJFTJFMYAWXMX-UONOGXRCSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906818183 784157266 /nfs/dbraw/zinc/15/72/66/784157266.db2.gz JCSBHFDVMSZHBZ-VIFPVBQESA-N -1 1 325.386 2.042 20 0 EEADMM CC(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC000906947027 784289519 /nfs/dbraw/zinc/28/95/19/784289519.db2.gz CAUVUACAWDYFTR-JTQLQIEISA-N -1 1 343.298 2.389 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000945615977 784513403 /nfs/dbraw/zinc/51/34/03/784513403.db2.gz BFZRZHCLCDHNII-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(c1[nH]c2ccccc2c1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474277 784643752 /nfs/dbraw/zinc/64/37/52/784643752.db2.gz GCBREOJGVIJFKE-JTQLQIEISA-N -1 1 348.819 2.265 20 0 EEADMM CC(C)(C)c1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907481728 784688789 /nfs/dbraw/zinc/68/87/89/784688789.db2.gz YLBSQAQRQATXKK-CYBMUJFWSA-N -1 1 331.445 2.428 20 0 EEADMM C[C@@H]1CCCN(C(=O)CC2CCC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945751249 784770677 /nfs/dbraw/zinc/77/06/77/784770677.db2.gz XVAZKUJGDOSRDA-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907779080 784860731 /nfs/dbraw/zinc/86/07/31/784860731.db2.gz VCOQJAUVZDXIEE-SFHVURJKSA-N -1 1 347.415 2.398 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000945928546 785137584 /nfs/dbraw/zinc/13/75/84/785137584.db2.gz JEQYYWATQVGNPH-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3F)CC2=O)cc1 ZINC000804134250 785202389 /nfs/dbraw/zinc/20/23/89/785202389.db2.gz GWFKVLAGTJQQGG-UHFFFAOYSA-N -1 1 328.343 2.329 20 0 EEADMM CN1CCCC[C@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218910 785245005 /nfs/dbraw/zinc/24/50/05/785245005.db2.gz RJVHVRLKNBCNFP-HNNXBMFYSA-N -1 1 330.384 2.274 20 0 EEADMM Cc1c(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)oc2ccc(F)cc12 ZINC000908816679 785751319 /nfs/dbraw/zinc/75/13/19/785751319.db2.gz LKVMIENBSKRCQM-LBPRGKRZSA-N -1 1 348.374 2.293 20 0 EEADMM CCOc1cc(C(=O)N[C@H](CCO)C(F)(F)F)cc(Cl)c1[O-] ZINC000820298785 785856079 /nfs/dbraw/zinc/85/60/79/785856079.db2.gz LQABTQKEAITSNL-SNVBAGLBSA-N -1 1 341.713 2.487 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CCCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC000909008641 785908972 /nfs/dbraw/zinc/90/89/72/785908972.db2.gz NWAIWLJVXYZWDS-AWEZNQCLSA-N -1 1 330.388 2.410 20 0 EEADMM C[C@@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000909123057 786005832 /nfs/dbraw/zinc/00/58/32/786005832.db2.gz ULHYBPFQNOSXTE-GWCFXTLKSA-N -1 1 327.812 2.057 20 0 EEADMM Cc1nc2c(cccc2C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)[nH]1 ZINC000909762229 786217068 /nfs/dbraw/zinc/21/70/68/786217068.db2.gz NINVSPJMIGRDLG-AWEZNQCLSA-N -1 1 341.289 2.351 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000909785187 786245476 /nfs/dbraw/zinc/24/54/76/786245476.db2.gz PPQKSDGCDMGPBT-ABAIWWIYSA-N -1 1 343.383 2.202 20 0 EEADMM CCC[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)C(=O)[O-] ZINC000909812535 786269283 /nfs/dbraw/zinc/26/92/83/786269283.db2.gz XZGAJEGDKNMGRE-AWEZNQCLSA-N -1 1 327.384 2.478 20 0 EEADMM O=C(COC(=O)c1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CCCO1 ZINC000909862615 786318531 /nfs/dbraw/zinc/31/85/31/786318531.db2.gz IJAIXLPOCNTYAQ-SECBINFHSA-N -1 1 348.182 2.151 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]cc3ncnc2-3)[C@H]2CCCC[C@H]12 ZINC000909965864 786366561 /nfs/dbraw/zinc/36/65/61/786366561.db2.gz ZOEMKYQKBNGIQL-GYSYKLTISA-N -1 1 328.372 2.063 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000910174522 786495903 /nfs/dbraw/zinc/49/59/03/786495903.db2.gz UYSYPPPWEWUPCD-ZDUSSCGKSA-N -1 1 348.447 2.078 20 0 EEADMM CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910234364 786544320 /nfs/dbraw/zinc/54/43/20/786544320.db2.gz UTNWAOVPXONWKC-SMDDNHRTSA-N -1 1 338.379 2.489 20 0 EEADMM C[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccc2F)C[C@@]1(C)C(=O)[O-] ZINC000910255710 786585930 /nfs/dbraw/zinc/58/59/30/786585930.db2.gz GUCMJIAFVFAERK-BMLIUANNSA-N -1 1 331.347 2.399 20 0 EEADMM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccccc1)C2 ZINC000910340957 786671653 /nfs/dbraw/zinc/67/16/53/786671653.db2.gz CHKYSMMJWMDUQL-YZLZLFLDSA-N -1 1 342.439 2.411 20 0 EEADMM CN1CCN(C[C@H](Nc2ncc(C(=O)[O-])s2)c2ccccc2)CC1 ZINC000910344951 786675007 /nfs/dbraw/zinc/67/50/07/786675007.db2.gz IBQLABOFLAJQIE-AWEZNQCLSA-N -1 1 346.456 2.242 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCc4cn[nH]c4C3)c12 ZINC000910362075 786692529 /nfs/dbraw/zinc/69/25/29/786692529.db2.gz DVZAXDWEXDGSDG-UHFFFAOYSA-N -1 1 329.385 2.292 20 0 EEADMM CN(c1cc(C(=O)[O-])ncn1)C1CCN(CCC(F)(F)F)CC1 ZINC000910374474 786703391 /nfs/dbraw/zinc/70/33/91/786703391.db2.gz MSMKJVXZDQIPDI-UHFFFAOYSA-N -1 1 332.326 2.028 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000910981386 787161545 /nfs/dbraw/zinc/16/15/45/787161545.db2.gz QDBCWSLVGNTFNX-RCOVLWMOSA-N -1 1 338.232 2.066 20 0 EEADMM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000910990225 787168697 /nfs/dbraw/zinc/16/86/97/787168697.db2.gz XGMNTXCTICBROX-HOTGVXAUSA-N -1 1 348.468 2.013 20 0 EEADMM Cc1noc(Cl)c1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822527773 787237176 /nfs/dbraw/zinc/23/71/76/787237176.db2.gz DGWZXALQVHOMTK-UHFFFAOYSA-N -1 1 348.750 2.093 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)oc1C(=O)[O-] ZINC000911105296 787246019 /nfs/dbraw/zinc/24/60/19/787246019.db2.gz TYNAUMZJESQKEV-ZDUSSCGKSA-N -1 1 334.347 2.458 20 0 EEADMM COc1ccc2cc(C(=O)N3CCCN(CC(=O)[O-])CC3)sc2c1 ZINC000911218026 787316358 /nfs/dbraw/zinc/31/63/58/787316358.db2.gz BJNZUDFUAFOYST-UHFFFAOYSA-N -1 1 348.424 2.142 20 0 EEADMM C[C@H]1c2ccccc2OCCN1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000823058789 787532657 /nfs/dbraw/zinc/53/26/57/787532657.db2.gz RTXRPFSIVSHBFM-LBPRGKRZSA-N -1 1 337.383 2.329 20 0 EEADMM CC(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107589248 787748595 /nfs/dbraw/zinc/74/85/95/787748595.db2.gz DSTDJHXFVCZEDV-HBUWYVDXSA-N -1 1 349.479 2.053 20 0 EEADMM CSCC[C@H](NC(=O)Cn1c(C)cc2ccccc21)c1nn[n-]n1 ZINC000912860101 788418420 /nfs/dbraw/zinc/41/84/20/788418420.db2.gz NFBQERITKGTCFH-ZDUSSCGKSA-N -1 1 344.444 2.073 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825060392 788424817 /nfs/dbraw/zinc/42/48/17/788424817.db2.gz PWYFNJGJXMDCBY-GXFFZTMASA-N -1 1 332.408 2.133 20 0 EEADMM CC[C@H](C)[C@H]1CCCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825060392 788424823 /nfs/dbraw/zinc/42/48/23/788424823.db2.gz PWYFNJGJXMDCBY-GXFFZTMASA-N -1 1 332.408 2.133 20 0 EEADMM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912863469 788427235 /nfs/dbraw/zinc/42/72/35/788427235.db2.gz ZAGXOAPXYZMNIL-SFYZADRCSA-N -1 1 325.360 2.089 20 0 EEADMM CCCCC[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825268134 788545164 /nfs/dbraw/zinc/54/51/64/788545164.db2.gz QJQKPOHNDXZVOD-LBPRGKRZSA-N -1 1 332.408 2.277 20 0 EEADMM CCCCC[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825268134 788545171 /nfs/dbraw/zinc/54/51/71/788545171.db2.gz QJQKPOHNDXZVOD-LBPRGKRZSA-N -1 1 332.408 2.277 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000844060060 788827545 /nfs/dbraw/zinc/82/75/45/788827545.db2.gz UFEUUFJOEYJBEC-SNVBAGLBSA-N -1 1 348.296 2.205 20 0 EEADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913497941 788948553 /nfs/dbraw/zinc/94/85/53/788948553.db2.gz NDPQOSIQZMZQIV-UMVBOHGHSA-N -1 1 341.415 2.089 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001005948787 788981520 /nfs/dbraw/zinc/98/15/20/788981520.db2.gz DPZDDBGEGVCHOZ-LBPRGKRZSA-N -1 1 333.432 2.046 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001005953117 788997927 /nfs/dbraw/zinc/99/79/27/788997927.db2.gz RARNXSLFRMAKMY-STQMWFEESA-N -1 1 345.443 2.190 20 0 EEADMM N#Cc1ccccc1OCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156340872 789070930 /nfs/dbraw/zinc/07/09/30/789070930.db2.gz NWWWFGAEBVFQPB-UHFFFAOYSA-N -1 1 348.156 2.439 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCC[C@@H]3CC3(Cl)Cl)ccnc1-2 ZINC000844649616 789271489 /nfs/dbraw/zinc/27/14/89/789271489.db2.gz AUXFCUVSIGFOTO-SECBINFHSA-N -1 1 342.230 2.437 20 0 EEADMM O=C(NC1CN([C@H]2CCc3ccc(F)cc32)C1)c1ncccc1[O-] ZINC001030243781 789875318 /nfs/dbraw/zinc/87/53/18/789875318.db2.gz QYZMEPAPXYRGPA-HNNXBMFYSA-N -1 1 327.359 2.028 20 0 EEADMM O=S(=O)([N-]c1cccnc1Br)c1cncc(F)c1 ZINC000226449967 790053894 /nfs/dbraw/zinc/05/38/94/790053894.db2.gz IGKNPENZDPLVRL-UHFFFAOYSA-N -1 1 332.154 2.179 20 0 EEADMM COCCN(CCC(=O)[O-])Cc1ccc(Oc2ccccc2)nn1 ZINC000846269462 790110054 /nfs/dbraw/zinc/11/00/54/790110054.db2.gz LFJHLNIXDDIGKR-UHFFFAOYSA-N -1 1 331.372 2.192 20 0 EEADMM COc1ccc([C@@H](O)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001144780969 790136647 /nfs/dbraw/zinc/13/66/47/790136647.db2.gz PQQVQYWIVPHXSQ-QGZVFWFLSA-N -1 1 339.351 2.259 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2cccc(F)n2)C1 ZINC001063105485 790223695 /nfs/dbraw/zinc/22/36/95/790223695.db2.gz SJROJFGHVMHFHQ-GFCCVEGCSA-N -1 1 330.363 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1cncc(Cl)n1 ZINC001063737979 791626534 /nfs/dbraw/zinc/62/65/34/791626534.db2.gz YPJMBXZVYLHHKR-MNOVXSKESA-N -1 1 347.806 2.193 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)CC1 ZINC001063842016 791817682 /nfs/dbraw/zinc/81/76/82/791817682.db2.gz SGADNRIHDLXLTD-HDJSIYSDSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063936164 791994244 /nfs/dbraw/zinc/99/42/44/791994244.db2.gz SYOCHYCRQOPFLV-CQSZACIVSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1cc(Br)cs1 ZINC001147916647 792058139 /nfs/dbraw/zinc/05/81/39/792058139.db2.gz DSCYOLSONNVRLK-UHFFFAOYSA-N -1 1 340.162 2.135 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N3C[C@@H](CO)CC[C@H]3C)cc2)[n-]1 ZINC001148329209 792340967 /nfs/dbraw/zinc/34/09/67/792340967.db2.gz KDYLEIFZTJZSIH-KGLIPLIRSA-N -1 1 329.400 2.032 20 0 EEADMM CN(CCCCCCNc1cnc(F)cn1)C(=O)c1ncccc1[O-] ZINC001091737411 792597866 /nfs/dbraw/zinc/59/78/66/792597866.db2.gz PDKQPIUYHWOEBV-UHFFFAOYSA-N -1 1 347.394 2.461 20 0 EEADMM CC(C)[C@H]1COCCN1C(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148990010 792847313 /nfs/dbraw/zinc/84/73/13/792847313.db2.gz TXCUPGSTBYVHGU-SNVBAGLBSA-N -1 1 344.205 2.357 20 0 EEADMM CCN(c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1)C(C)C ZINC000913743432 794205642 /nfs/dbraw/zinc/20/56/42/794205642.db2.gz VSLICBVCFWNLDQ-UHFFFAOYSA-N -1 1 342.447 2.454 20 0 EEADMM C[C@H](CCc1cccc(F)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743933 794207004 /nfs/dbraw/zinc/20/70/04/794207004.db2.gz SCTMGGGKDAVQNZ-GFCCVEGCSA-N -1 1 331.395 2.314 20 0 EEADMM O=C(c1cc2ccccc2c(Cl)n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744029 794209034 /nfs/dbraw/zinc/20/90/34/794209034.db2.gz WUCWTJDHWUFYKM-UHFFFAOYSA-N -1 1 342.790 2.421 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@]2(C)C1 ZINC000992591587 794808419 /nfs/dbraw/zinc/80/84/19/794808419.db2.gz SMCLZYDRDRPSTA-ORAYPTAESA-N -1 1 345.443 2.144 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)CCCC(C)C)C1 ZINC001079654322 795057343 /nfs/dbraw/zinc/05/73/43/795057343.db2.gz OKVYROBSRLITKV-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1ccnc(NC2(CNC(=O)c3ncccc3[O-])CCCCC2)n1 ZINC001093389118 795136314 /nfs/dbraw/zinc/13/63/14/795136314.db2.gz ZMBVDUXYULYOTB-UHFFFAOYSA-N -1 1 341.415 2.430 20 0 EEADMM CCN(C(=O)CC(C)(C)CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079836979 795266392 /nfs/dbraw/zinc/26/63/92/795266392.db2.gz QBJNHGKHNKUHLO-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CCNc1ccnc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001106296119 795360026 /nfs/dbraw/zinc/36/00/26/795360026.db2.gz HTPPSWWETGIZFW-LLVKDONJSA-N -1 1 327.388 2.075 20 0 EEADMM C[C@@H](CCNC(=O)C1(F)CCCCC1)NC(=O)c1ncccc1[O-] ZINC001078386640 796371075 /nfs/dbraw/zinc/37/10/75/796371075.db2.gz WMSVQRHGWZMOOC-LBPRGKRZSA-N -1 1 337.395 2.084 20 0 EEADMM O=C(COC(=O)c1ccc(-n2cccn2)cc1)c1ccc([O-])cc1O ZINC000018338774 796396690 /nfs/dbraw/zinc/39/66/90/796396690.db2.gz XBMMEXXEJHNLPG-UHFFFAOYSA-N -1 1 338.319 2.323 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1noc(C(F)(F)F)n1 ZINC000916385293 797598514 /nfs/dbraw/zinc/59/85/14/797598514.db2.gz RAYFLBVGHKHYGD-LURJTMIESA-N -1 1 339.270 2.267 20 0 EEADMM CNS(=O)(=O)c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001174267245 797735095 /nfs/dbraw/zinc/73/50/95/797735095.db2.gz DZKZKJJIYUDXCX-UHFFFAOYSA-N -1 1 344.396 2.230 20 0 EEADMM O=C(CNc1cccc(Cl)c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001168693721 797927110 /nfs/dbraw/zinc/92/71/10/797927110.db2.gz JYBHHZIXYPGELO-HNNXBMFYSA-N -1 1 342.790 2.171 20 0 EEADMM CCc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175560935 798161763 /nfs/dbraw/zinc/16/17/63/798161763.db2.gz ASXBGJSAASQISL-LBPRGKRZSA-N -1 1 338.371 2.047 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001066079197 799975643 /nfs/dbraw/zinc/97/56/43/799975643.db2.gz WAJFHPBNPWZUIU-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CCCCC[C@H](C)CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001179667203 800048127 /nfs/dbraw/zinc/04/81/27/800048127.db2.gz VKMXBRADIKRIJM-IHRRRGAJSA-N -1 1 337.468 2.196 20 0 EEADMM COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(=O)[n-]c(SC)n1)CO2 ZINC001180354800 800374534 /nfs/dbraw/zinc/37/45/34/800374534.db2.gz PQWTXLNFERHCEZ-JTQLQIEISA-N -1 1 347.396 2.103 20 0 EEADMM O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000827748213 800505383 /nfs/dbraw/zinc/50/53/83/800505383.db2.gz CEBPUVVLYKKESV-MRXNPFEDSA-N -1 1 340.379 2.134 20 0 EEADMM Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC001180912892 800601091 /nfs/dbraw/zinc/60/10/91/800601091.db2.gz XYVZRENSQLROLR-UHFFFAOYSA-N -1 1 342.277 2.060 20 0 EEADMM Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCc2nn[n-]n2)c1 ZINC001180935142 800609395 /nfs/dbraw/zinc/60/93/95/800609395.db2.gz UASSGDRBYOMCNX-UHFFFAOYSA-N -1 1 331.420 2.318 20 0 EEADMM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2cc([O-])c(F)cc2F)nn1 ZINC000828222724 800654258 /nfs/dbraw/zinc/65/42/58/800654258.db2.gz OWDLCHUUVDKQCL-UHFFFAOYSA-N -1 1 338.314 2.129 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)Cc1ccccc1OC(F)F ZINC001181075811 800672495 /nfs/dbraw/zinc/67/24/95/800672495.db2.gz NDAQIHRBAHBCBI-UHFFFAOYSA-N -1 1 340.242 2.068 20 0 EEADMM CN(C(=O)CC1CC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001003977370 800687553 /nfs/dbraw/zinc/68/75/53/800687553.db2.gz STOHMSBFDNGIDD-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C2CN(c3ccc(Cl)cc3)C2)n1 ZINC001181512838 800810800 /nfs/dbraw/zinc/81/08/00/800810800.db2.gz UFTXOIUKSKMNQA-UHFFFAOYSA-N -1 1 348.790 2.315 20 0 EEADMM CN(C(=O)C1=CCCC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001004063727 800906212 /nfs/dbraw/zinc/90/62/12/800906212.db2.gz KRLYVUCPDGMRQV-UHFFFAOYSA-N -1 1 343.427 2.397 20 0 EEADMM CSc1nc(NC(=O)[C@H]2CCC(=O)N2c2ccccc2)cc(=O)[n-]1 ZINC001181916086 800955424 /nfs/dbraw/zinc/95/54/24/800955424.db2.gz FRTSGPLVCWTCJG-LLVKDONJSA-N -1 1 344.396 2.038 20 0 EEADMM CCC1(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)CCC(F)(F)CC1 ZINC001184652680 802117953 /nfs/dbraw/zinc/11/79/53/802117953.db2.gz CWIQHJNZACUMHV-UHFFFAOYSA-N -1 1 341.318 2.260 20 0 EEADMM CCC1(C(=O)Nc2[n-]c(=O)nc3[nH]c(=O)[nH]c32)CCC(F)(F)CC1 ZINC001184652680 802117954 /nfs/dbraw/zinc/11/79/54/802117954.db2.gz CWIQHJNZACUMHV-UHFFFAOYSA-N -1 1 341.318 2.260 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3snnc32)cc1C(=O)[O-] ZINC001184699735 802133751 /nfs/dbraw/zinc/13/37/51/802133751.db2.gz ZYUKBLVXOULDND-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1ccsc1 ZINC001004462317 802134885 /nfs/dbraw/zinc/13/48/85/802134885.db2.gz WUFFPFKDXXBADU-WCQYABFASA-N -1 1 345.424 2.129 20 0 EEADMM CSc1ncc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)cn1 ZINC001185097237 802331714 /nfs/dbraw/zinc/33/17/14/802331714.db2.gz YUCJOUCPTXVKPR-UHFFFAOYSA-N -1 1 331.369 2.419 20 0 EEADMM COc1ccc(CO)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185135376 802366103 /nfs/dbraw/zinc/36/61/03/802366103.db2.gz PNZROHMQOBGMFE-UHFFFAOYSA-N -1 1 343.351 2.408 20 0 EEADMM Cc1nccc(NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)n1 ZINC001066430346 802381229 /nfs/dbraw/zinc/38/12/29/802381229.db2.gz HIIFDCTUSDTDCV-HDJSIYSDSA-N -1 1 341.415 2.286 20 0 EEADMM CC1(CC(=O)N2CCC(NC(=O)c3ncccc3[O-])CC2)CCCC1 ZINC000946639098 802523710 /nfs/dbraw/zinc/52/37/10/802523710.db2.gz SPVIBBCKZNYWHF-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1CCN(C(=O)CC2CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004746659 802740571 /nfs/dbraw/zinc/74/05/71/802740571.db2.gz BUYNOLAZDUVRFK-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1csc(C(=O)N2CCCC[C@H]2[C@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001004836021 803018717 /nfs/dbraw/zinc/01/87/17/803018717.db2.gz SUADGJIRYQPWDB-RYUDHWBXSA-N -1 1 349.460 2.053 20 0 EEADMM CC(C)[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066555132 803127467 /nfs/dbraw/zinc/12/74/67/803127467.db2.gz YLOHWDLHLJJVRP-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)c1nsc(N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001061585840 803133744 /nfs/dbraw/zinc/13/37/44/803133744.db2.gz DSQSNBFRHQCLMA-LLVKDONJSA-N -1 1 347.444 2.018 20 0 EEADMM CN(CCCNc1ncnc2ccsc21)C(=O)c1ncccc1[O-] ZINC001109436845 805462633 /nfs/dbraw/zinc/46/26/33/805462633.db2.gz LRRDQPNTYZYROL-UHFFFAOYSA-N -1 1 343.412 2.366 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC[C@@H]1CCCO1 ZINC000787679069 807189741 /nfs/dbraw/zinc/18/97/41/807189741.db2.gz NAYREPVFGQUUBN-ZDUSSCGKSA-N -1 1 333.388 2.097 20 0 EEADMM CC(C)(CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccccc1 ZINC000788150817 807397245 /nfs/dbraw/zinc/39/72/45/807397245.db2.gz XPJQISPCCGVMEX-CYBMUJFWSA-N -1 1 331.445 2.184 20 0 EEADMM CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000788158757 807413726 /nfs/dbraw/zinc/41/37/26/807413726.db2.gz PKAVEXPSLVUXAZ-UHFFFAOYSA-N -1 1 327.768 2.246 20 0 EEADMM CCc1cc(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001112982746 807786040 /nfs/dbraw/zinc/78/60/40/807786040.db2.gz BDONNFFATTXJJV-GHMZBOCLSA-N -1 1 329.404 2.067 20 0 EEADMM Cc1c2ccccc2oc(=O)c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791165325 809098477 /nfs/dbraw/zinc/09/84/77/809098477.db2.gz DXVUECJQUMDUDJ-UHFFFAOYSA-N -1 1 334.335 2.009 20 0 EEADMM CC1(C)NC(=O)Nc2cc(Nc3[n-]c(=O)nc4nc[nH]c43)ccc21 ZINC001170228546 809846385 /nfs/dbraw/zinc/84/63/85/809846385.db2.gz HCOZXNZQRUJFOF-UHFFFAOYSA-N -1 1 325.332 2.172 20 0 EEADMM Cc1cccc2c(NC3(CNC(=O)c4ncccc4[O-])CC3)ncnc12 ZINC001110097858 809899278 /nfs/dbraw/zinc/89/92/78/809899278.db2.gz IFWJULXBDXFJAT-UHFFFAOYSA-N -1 1 349.394 2.413 20 0 EEADMM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc2cncn2c1 ZINC000793115456 810150220 /nfs/dbraw/zinc/15/02/20/810150220.db2.gz DFNSWWTZIFFMLC-UHFFFAOYSA-N -1 1 335.772 2.106 20 0 EEADMM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2nnc(C3CC3)o2)cc1 ZINC000793871515 810574769 /nfs/dbraw/zinc/57/47/69/810574769.db2.gz HDMCQRHDLGQRPH-UHFFFAOYSA-N -1 1 337.282 2.048 20 0 EEADMM CCCC[C@@H](CNc1nc(C)ns1)NC(=O)c1ncccc1[O-] ZINC001114241006 810663160 /nfs/dbraw/zinc/66/31/60/810663160.db2.gz KLUGJECXVFSWEY-NSHDSACASA-N -1 1 335.433 2.348 20 0 EEADMM O=S(=O)([N-]C[C@H]1CC1(Cl)Cl)c1cnc(Cl)c(F)c1 ZINC000804946506 811084359 /nfs/dbraw/zinc/08/43/59/811084359.db2.gz IBGOTIZXQHYOLT-RXMQYKEDSA-N -1 1 333.599 2.346 20 0 EEADMM CC(C)[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000805604323 811366249 /nfs/dbraw/zinc/36/62/49/811366249.db2.gz DURQIXXBSZBQSB-HNNXBMFYSA-N -1 1 328.372 2.114 20 0 EEADMM Cc1[nH]c2ccccc2c1CCNC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806489143 811897242 /nfs/dbraw/zinc/89/72/42/811897242.db2.gz NOQCWRIMHARJMF-UHFFFAOYSA-N -1 1 348.410 2.496 20 0 EEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000807094836 812094993 /nfs/dbraw/zinc/09/49/93/812094993.db2.gz CLPMAXGDFPDFNM-BZNIZROVSA-N -1 1 331.343 2.342 20 0 EEADMM CC[C@@](NC(=O)N[C@@H]1CCCc2cn[nH]c21)(C(=O)[O-])c1ccccc1 ZINC000797723456 939186191 /nfs/dbraw/zinc/18/61/91/939186191.db2.gz ALHJQKDZFBXHQT-KDOFPFPSSA-N -1 1 342.399 2.476 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000901997875 939281811 /nfs/dbraw/zinc/28/18/11/939281811.db2.gz GCLAVBGIMGZVMI-UHFFFAOYSA-N -1 1 332.444 2.455 20 0 EEADMM Brc1cccnc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573279234 946634772 /nfs/dbraw/zinc/63/47/72/946634772.db2.gz FYLSRIKUEDWRCX-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cccnc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573279234 946634780 /nfs/dbraw/zinc/63/47/80/946634780.db2.gz FYLSRIKUEDWRCX-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM C=C/C(C)=C\CC(=O)NCCCNc1snc(C)c1-c1nn[n-]n1 ZINC001573316055 947266573 /nfs/dbraw/zinc/26/65/73/947266573.db2.gz FYDIGAXQMRHIHE-POHAHGRESA-N -1 1 347.448 2.072 20 0 EEADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573366436 947739374 /nfs/dbraw/zinc/73/93/74/947739374.db2.gz QEUHZUOWTPPBGX-SOFGYWHQSA-N -1 1 329.751 2.285 20 0 EEADMM Cc1onc(CC(=O)Nc2cc(C)ccc2Cl)c1-c1nnn[n-]1 ZINC000826288349 947840207 /nfs/dbraw/zinc/84/02/07/947840207.db2.gz CEUUWUYUKYSIEW-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2cc(C)ccc2Cl)c1-c1nn[n-]n1 ZINC000826288349 947840212 /nfs/dbraw/zinc/84/02/12/947840212.db2.gz CEUUWUYUKYSIEW-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1ccccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001570926345 948688749 /nfs/dbraw/zinc/68/87/49/948688749.db2.gz UWLIXLBOGNWHAE-UHFFFAOYSA-N -1 1 328.401 2.236 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001570927326 948708753 /nfs/dbraw/zinc/70/87/53/948708753.db2.gz DNPBUOGFKDJHPE-MRVPVSSYSA-N -1 1 330.298 2.282 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001570927326 948708758 /nfs/dbraw/zinc/70/87/58/948708758.db2.gz DNPBUOGFKDJHPE-MRVPVSSYSA-N -1 1 330.298 2.282 20 0 EEADMM Cc1[nH]nc(NCc2cccc(Br)c2)c1-c1nn[n-]n1 ZINC001570933782 948909372 /nfs/dbraw/zinc/90/93/72/948909372.db2.gz GVDOGNUSNBELFT-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM Cc1[nH]nc(NCc2cccc(Br)c2)c1-c1nnn[n-]1 ZINC001570933782 948909355 /nfs/dbraw/zinc/90/93/55/948909355.db2.gz GVDOGNUSNBELFT-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001570936722 949052894 /nfs/dbraw/zinc/05/28/94/949052894.db2.gz ZXYXHSJXWFYOAN-UHFFFAOYSA-N -1 1 339.330 2.170 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001570936722 949052915 /nfs/dbraw/zinc/05/29/15/949052915.db2.gz ZXYXHSJXWFYOAN-UHFFFAOYSA-N -1 1 339.330 2.170 20 0 EEADMM CN(C(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001570942403 949284885 /nfs/dbraw/zinc/28/48/85/949284885.db2.gz ORDQGLXWKRIHNW-ZDUSSCGKSA-N -1 1 340.774 2.218 20 0 EEADMM CN(C(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001570942403 949284906 /nfs/dbraw/zinc/28/49/06/949284906.db2.gz ORDQGLXWKRIHNW-ZDUSSCGKSA-N -1 1 340.774 2.218 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001575188068 952446120 /nfs/dbraw/zinc/44/61/20/952446120.db2.gz HDEVFEVXZBBKBN-LLVKDONJSA-N -1 1 340.362 2.104 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001575188068 952446124 /nfs/dbraw/zinc/44/61/24/952446124.db2.gz HDEVFEVXZBBKBN-LLVKDONJSA-N -1 1 340.362 2.104 20 0 EEADMM C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575203427 952522193 /nfs/dbraw/zinc/52/21/93/952522193.db2.gz WOSXYCHFHSYNCS-SNVBAGLBSA-N -1 1 328.401 2.026 20 0 EEADMM C[C@H](Cc1cccs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575203427 952522200 /nfs/dbraw/zinc/52/22/00/952522200.db2.gz WOSXYCHFHSYNCS-SNVBAGLBSA-N -1 1 328.401 2.026 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1O ZINC001589303002 953705193 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PMIYYEKCRKLSTQ-AWEZNQCLSA-N -1 1 337.339 2.080 20 0 EEADMM CCCN1CCN(C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736479735 578206638 /nfs/dbraw/zinc/20/66/38/578206638.db2.gz GBBLOIBAUWBXPH-UHFFFAOYSA-N -1 1 349.826 2.080 20 0 EEADMM C[C@H](NC(=O)CNC(C)(C)C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000736638869 578215807 /nfs/dbraw/zinc/21/58/07/578215807.db2.gz MLZZXOPFLLPGDC-VIFPVBQESA-N -1 1 348.321 2.215 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736785635 578223380 /nfs/dbraw/zinc/22/33/80/578223380.db2.gz UOPFVFKGHZWPQV-CABCVRRESA-N -1 1 340.464 2.075 20 0 EEADMM CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C(C)C ZINC000737068764 578236161 /nfs/dbraw/zinc/23/61/61/578236161.db2.gz DOYCSMBIUJFYAD-UHFFFAOYSA-N -1 1 342.417 2.210 20 0 EEADMM Cc1cc(OC(F)F)c(C(=O)N2CCC(c3nn[n-]n3)CC2)s1 ZINC000737279871 578247810 /nfs/dbraw/zinc/24/78/10/578247810.db2.gz SOQXFYGDXDOVBG-UHFFFAOYSA-N -1 1 343.359 2.191 20 0 EEADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738000474 578275998 /nfs/dbraw/zinc/27/59/98/578275998.db2.gz FZBXUYLKOABJPM-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738000474 578275999 /nfs/dbraw/zinc/27/59/99/578275999.db2.gz FZBXUYLKOABJPM-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM CC[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC000820994596 599101912 /nfs/dbraw/zinc/10/19/12/599101912.db2.gz IZYUDKLYKUNTKO-JTQLQIEISA-N -1 1 327.417 2.142 20 0 EEADMM CC[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC000820994596 599101913 /nfs/dbraw/zinc/10/19/13/599101913.db2.gz IZYUDKLYKUNTKO-JTQLQIEISA-N -1 1 327.417 2.142 20 0 EEADMM CCc1nc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)no1 ZINC000821505029 599528877 /nfs/dbraw/zinc/52/88/77/599528877.db2.gz OWAGQDXBMBMZHM-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM CCc1nc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)no1 ZINC000821505029 599528879 /nfs/dbraw/zinc/52/88/79/599528879.db2.gz OWAGQDXBMBMZHM-UHFFFAOYSA-N -1 1 336.359 2.015 20 0 EEADMM C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N(C)Cc1ccccc1 ZINC000825983208 600952718 /nfs/dbraw/zinc/95/27/18/600952718.db2.gz SOQMOEOEUPRAGY-HOCLYGCPSA-N -1 1 330.428 2.220 20 0 EEADMM Cc1nnc(SCCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)[nH]1 ZINC000833022044 600968212 /nfs/dbraw/zinc/96/82/12/600968212.db2.gz VXZXTAYDWLGYBO-LLVKDONJSA-N -1 1 346.412 2.200 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 ZINC000827354279 601105205 /nfs/dbraw/zinc/10/52/05/601105205.db2.gz CXQKAGTVIIOWOU-MGPUTAFESA-N -1 1 344.455 2.189 20 0 EEADMM CCOc1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1C ZINC000830049995 601131800 /nfs/dbraw/zinc/13/18/00/601131800.db2.gz URRACFJJMCHREQ-AWEZNQCLSA-N -1 1 349.431 2.406 20 0 EEADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCSC(C)(C)C1 ZINC000826009093 601328562 /nfs/dbraw/zinc/32/85/62/601328562.db2.gz RQULLBKAWHNXGC-LBPRGKRZSA-N -1 1 336.457 2.217 20 0 EEADMM CCCCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000236675772 601747277 /nfs/dbraw/zinc/74/72/77/601747277.db2.gz WCLHZXUORJHNAU-LBPRGKRZSA-N -1 1 334.332 2.234 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000263193817 601918463 /nfs/dbraw/zinc/91/84/63/601918463.db2.gz TXCKLVIRCUDDIS-AWEZNQCLSA-N -1 1 342.189 2.474 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(C)CCCC(=O)[O-])n2)cc1 ZINC000832907672 602187110 /nfs/dbraw/zinc/18/71/10/602187110.db2.gz GDDCVAUHWDMDST-UHFFFAOYSA-N -1 1 348.428 2.195 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292816 607571486 /nfs/dbraw/zinc/57/14/86/607571486.db2.gz NFDPFZKNSUVFDD-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292816 607571487 /nfs/dbraw/zinc/57/14/87/607571487.db2.gz NFDPFZKNSUVFDD-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Clc1nsc(N2CCC[C@@H]([C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826354016 607681281 /nfs/dbraw/zinc/68/12/81/607681281.db2.gz MWKWFHXQROHFKR-BDAKNGLRSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC[C@@H]([C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826354016 607681282 /nfs/dbraw/zinc/68/12/82/607681282.db2.gz MWKWFHXQROHFKR-BDAKNGLRSA-N -1 1 340.840 2.230 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@@H]1C(=O)[O-] ZINC000828464891 604675216 /nfs/dbraw/zinc/67/52/16/604675216.db2.gz VZNKGLLLSHSFPR-APPZFPTMSA-N -1 1 341.289 2.306 20 0 EEADMM CN(C(=O)CN1CCC[C@H]1CC(=O)[O-])c1nc2ccccc2s1 ZINC000833684433 604968222 /nfs/dbraw/zinc/96/82/22/604968222.db2.gz BTCQEYXTZXCSJC-NSHDSACASA-N -1 1 333.413 2.198 20 0 EEADMM C[C@@H](CCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833514840 605047374 /nfs/dbraw/zinc/04/73/74/605047374.db2.gz CFKAPGRESIRDKB-HOTGVXAUSA-N -1 1 347.459 2.371 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833656610 605119375 /nfs/dbraw/zinc/11/93/75/605119375.db2.gz KEBHRDZXIYTMEP-KGLIPLIRSA-N -1 1 333.432 2.051 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000833482741 605135803 /nfs/dbraw/zinc/13/58/03/605135803.db2.gz GHRDEMKWFXDQMJ-HIFRSBDPSA-N -1 1 338.404 2.470 20 0 EEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833609684 605137029 /nfs/dbraw/zinc/13/70/29/605137029.db2.gz RWMBLTPVIDQISO-KFWWJZLASA-N -1 1 325.453 2.003 20 0 EEADMM C/C(=C\CN[C@@H](CCO)c1ccccc1Br)C(=O)[O-] ZINC000833383879 605138262 /nfs/dbraw/zinc/13/82/62/605138262.db2.gz OKWXKALGEDAXAR-PPOCWRSBSA-N -1 1 328.206 2.493 20 0 EEADMM CN(C(=O)c1cnc[nH]1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833688868 605220144 /nfs/dbraw/zinc/22/01/44/605220144.db2.gz ZFPJCRZTESOLRB-LLVKDONJSA-N -1 1 338.161 2.070 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)on1 ZINC000379612400 605264443 /nfs/dbraw/zinc/26/44/43/605264443.db2.gz UJDUEJGJQRUNFA-AWEZNQCLSA-N -1 1 343.383 2.157 20 0 EEADMM C[C@@H]1CN(C(=O)[C@@]2(C)CCCc3ccccc32)CCN1CCC(=O)[O-] ZINC000833618821 605276863 /nfs/dbraw/zinc/27/68/63/605276863.db2.gz QZPNDJIUWMLNON-QRWLVFNGSA-N -1 1 344.455 2.288 20 0 EEADMM C[C@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)CCN1CCC(=O)[O-] ZINC000833619588 605280355 /nfs/dbraw/zinc/28/03/55/605280355.db2.gz UEXBHQOQKSZXQJ-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821319123 606138637 /nfs/dbraw/zinc/13/86/37/606138637.db2.gz AQAGEXFVODVDBU-NSHDSACASA-N -1 1 344.400 2.244 20 0 EEADMM CCCCCOC1CN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000821056835 606240516 /nfs/dbraw/zinc/24/05/16/606240516.db2.gz YRCWJXGJHGAYKQ-UHFFFAOYSA-N -1 1 339.403 2.205 20 0 EEADMM CCCCCOC1CN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000821056835 606240517 /nfs/dbraw/zinc/24/05/17/606240517.db2.gz YRCWJXGJHGAYKQ-UHFFFAOYSA-N -1 1 339.403 2.205 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563481 606465673 /nfs/dbraw/zinc/46/56/73/606465673.db2.gz RBUVLMBGNNROAW-GXFFZTMASA-N -1 1 344.806 2.492 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563481 606465674 /nfs/dbraw/zinc/46/56/74/606465674.db2.gz RBUVLMBGNNROAW-GXFFZTMASA-N -1 1 344.806 2.492 20 0 EEADMM Clc1ccc(Nc2cnn(-c3ccccn3)c2)nc1-c1nnn[n-]1 ZINC000822579273 606469099 /nfs/dbraw/zinc/46/90/99/606469099.db2.gz ZZAMGHQVSARHPE-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccc(Nc2cnn(-c3ccccn3)c2)nc1-c1nn[n-]n1 ZINC000822579273 606469101 /nfs/dbraw/zinc/46/91/01/606469101.db2.gz ZZAMGHQVSARHPE-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Cc1cccc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822328752 606499118 /nfs/dbraw/zinc/49/91/18/606499118.db2.gz SHJPVNNGRYFGPH-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM Cc1cccc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822328752 606499119 /nfs/dbraw/zinc/49/91/19/606499119.db2.gz SHJPVNNGRYFGPH-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-c2cnco2)cc1 ZINC000823435881 606517754 /nfs/dbraw/zinc/51/77/54/606517754.db2.gz CGXXKWSUIRKYMW-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-c2cnco2)cc1 ZINC000823435881 606517755 /nfs/dbraw/zinc/51/77/55/606517755.db2.gz CGXXKWSUIRKYMW-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)N(C)c1ccccc1 ZINC000820269291 606526049 /nfs/dbraw/zinc/52/60/49/606526049.db2.gz JCTLZPDTERZLKQ-LLVKDONJSA-N -1 1 342.428 2.183 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N(C)c1ccccc1 ZINC000820269291 606526051 /nfs/dbraw/zinc/52/60/51/606526051.db2.gz JCTLZPDTERZLKQ-LLVKDONJSA-N -1 1 342.428 2.183 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823482908 606551672 /nfs/dbraw/zinc/55/16/72/606551672.db2.gz BVXRXVOXQBKYTM-UWVGGRQHSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000823482908 606551674 /nfs/dbraw/zinc/55/16/74/606551674.db2.gz BVXRXVOXQBKYTM-UWVGGRQHSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000823484198 606562740 /nfs/dbraw/zinc/56/27/40/606562740.db2.gz TWYVJSBZEKZHJM-JTQLQIEISA-N -1 1 329.389 2.019 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000823484198 606562741 /nfs/dbraw/zinc/56/27/41/606562741.db2.gz TWYVJSBZEKZHJM-JTQLQIEISA-N -1 1 329.389 2.019 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCCC2 ZINC000821362054 606577649 /nfs/dbraw/zinc/57/76/49/606577649.db2.gz XYGPKQUWRLSAQZ-CHWSQXEVSA-N -1 1 347.444 2.396 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCCC2 ZINC000821362054 606577651 /nfs/dbraw/zinc/57/76/51/606577651.db2.gz XYGPKQUWRLSAQZ-CHWSQXEVSA-N -1 1 347.444 2.396 20 0 EEADMM Cc1nc(Cn2cnc(-c3nn[n-]n3)n2)oc1-c1ccc(Cl)cc1 ZINC000822449861 606630874 /nfs/dbraw/zinc/63/08/74/606630874.db2.gz SAVXBHTYAXDAKN-UHFFFAOYSA-N -1 1 342.750 2.123 20 0 EEADMM C[C@@H](CO[C@H]1CCOC1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820287922 606634296 /nfs/dbraw/zinc/63/42/96/606634296.db2.gz SDFVPZAWDPZMFL-RYUDHWBXSA-N -1 1 340.387 2.021 20 0 EEADMM C[C@@H](CO[C@H]1CCOC1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820287922 606634297 /nfs/dbraw/zinc/63/42/97/606634297.db2.gz SDFVPZAWDPZMFL-RYUDHWBXSA-N -1 1 340.387 2.021 20 0 EEADMM CC[C@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820868706 606750451 /nfs/dbraw/zinc/75/04/51/606750451.db2.gz BQSRZZJRKJRBHW-VIFPVBQESA-N -1 1 333.392 2.106 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)C2(C)CC2)c1-c1nn[n-]n1 ZINC000822486897 606767034 /nfs/dbraw/zinc/76/70/34/606767034.db2.gz UWYDAKKJRSTDAY-UHFFFAOYSA-N -1 1 338.371 2.204 20 0 EEADMM C[C@H](C[C@@H]1CCOC1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820234569 607114152 /nfs/dbraw/zinc/11/41/52/607114152.db2.gz OHIOZMZDSGVTQC-MNOVXSKESA-N -1 1 325.376 2.037 20 0 EEADMM C[C@H](C[C@@H]1CCOC1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820234569 607114153 /nfs/dbraw/zinc/11/41/53/607114153.db2.gz OHIOZMZDSGVTQC-MNOVXSKESA-N -1 1 325.376 2.037 20 0 EEADMM O=C(OCc1ccc2c[nH]nc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823427146 607185603 /nfs/dbraw/zinc/18/56/03/607185603.db2.gz YJOCWAKQIPKGPX-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM O=C(OCc1ccc2c[nH]nc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823427146 607185604 /nfs/dbraw/zinc/18/56/04/607185604.db2.gz YJOCWAKQIPKGPX-UHFFFAOYSA-N -1 1 326.341 2.162 20 0 EEADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826177558 607979497 /nfs/dbraw/zinc/97/94/97/607979497.db2.gz MTMONAHBABQSLI-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826177558 607979498 /nfs/dbraw/zinc/97/94/98/607979498.db2.gz MTMONAHBABQSLI-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CCOc1c(F)cccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825605506 607998117 /nfs/dbraw/zinc/99/81/17/607998117.db2.gz VJHPHXGCEMLKIS-UHFFFAOYSA-N -1 1 343.318 2.362 20 0 EEADMM Cc1ccccc1NCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826307292 607999528 /nfs/dbraw/zinc/99/95/28/607999528.db2.gz BQCKDXNMIUVCAS-UHFFFAOYSA-N -1 1 338.371 2.321 20 0 EEADMM CCNc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000825485826 608171985 /nfs/dbraw/zinc/17/19/85/608171985.db2.gz JWFWWYHIKSYLRO-UHFFFAOYSA-N -1 1 346.854 2.411 20 0 EEADMM CCNc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000825485826 608171987 /nfs/dbraw/zinc/17/19/87/608171987.db2.gz JWFWWYHIKSYLRO-UHFFFAOYSA-N -1 1 346.854 2.411 20 0 EEADMM Cn1c(=O)oc2cc(Nc3snc(Cl)c3-c3nnn[n-]3)ccc21 ZINC000826354451 608182323 /nfs/dbraw/zinc/18/23/23/608182323.db2.gz DXUCMXPOQPGKLT-UHFFFAOYSA-N -1 1 349.763 2.165 20 0 EEADMM Cn1c(=O)oc2cc(Nc3snc(Cl)c3-c3nn[n-]n3)ccc21 ZINC000826354451 608182324 /nfs/dbraw/zinc/18/23/24/608182324.db2.gz DXUCMXPOQPGKLT-UHFFFAOYSA-N -1 1 349.763 2.165 20 0 EEADMM Clc1nsc(N2CCO[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826354350 608189878 /nfs/dbraw/zinc/18/98/78/608189878.db2.gz ZDGIGOIJKCQQRX-HTQZYQBOSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nsc(N2CCO[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826354350 608189879 /nfs/dbraw/zinc/18/98/79/608189879.db2.gz ZDGIGOIJKCQQRX-HTQZYQBOSA-N -1 1 326.813 2.124 20 0 EEADMM Cc1nc([C@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826324855 608618017 /nfs/dbraw/zinc/61/80/17/608618017.db2.gz HCRWJOFVVKMVAD-LLVKDONJSA-N -1 1 331.405 2.347 20 0 EEADMM O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826505997 608847709 /nfs/dbraw/zinc/84/77/09/608847709.db2.gz KNCKIPBWOKLJKY-YGRLFVJLSA-N -1 1 347.325 2.046 20 0 EEADMM O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC000826505997 608847710 /nfs/dbraw/zinc/84/77/10/608847710.db2.gz KNCKIPBWOKLJKY-YGRLFVJLSA-N -1 1 347.325 2.046 20 0 EEADMM COc1ccc(-c2nn[nH]n2)cc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000826184882 609182403 /nfs/dbraw/zinc/18/24/03/609182403.db2.gz OVEWQXLEMAYFIP-UHFFFAOYSA-N -1 1 344.400 2.280 20 0 EEADMM CCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825258846 609292522 /nfs/dbraw/zinc/29/25/22/609292522.db2.gz FJEFLJDBZINJIX-UHFFFAOYSA-N -1 1 329.339 2.320 20 0 EEADMM CC[C@@H](C)n1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000825081144 609351106 /nfs/dbraw/zinc/35/11/06/609351106.db2.gz GREHYJWEJAIMJI-SNVBAGLBSA-N -1 1 341.375 2.095 20 0 EEADMM CC[C@@H](C)n1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C 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20 0 EEADMM CCOC(=O)[C@H](CNc1cc(=O)[n-]c(COC)n1)Cc1ccccc1 ZINC000892073668 677972752 /nfs/dbraw/zinc/97/27/52/677972752.db2.gz SUYMBJOCXJOOAG-AWEZNQCLSA-N -1 1 345.399 2.163 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1[O-] ZINC001023307150 679244251 /nfs/dbraw/zinc/24/42/51/679244251.db2.gz SWAOHWSXTYKKQZ-CQSZACIVSA-N -1 1 346.406 2.205 20 0 EEADMM Cc1ccoc1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937228481 681755294 /nfs/dbraw/zinc/75/52/94/681755294.db2.gz OAXVKVGXXQOCPD-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM CC(C)(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983080597 681757587 /nfs/dbraw/zinc/75/75/87/681757587.db2.gz JKCAXJHVMIEUMU-ZDUSSCGKSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)n1c(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)n[n-]c1=S ZINC000066640505 681779994 /nfs/dbraw/zinc/77/99/94/681779994.db2.gz PXEAIYNMXIOHKJ-RYUDHWBXSA-N -1 1 342.465 2.112 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3cccc(F)c3)CC2(C)C)c1[O-] ZINC000973043175 681925508 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EEADMM CC(C)c1ccccc1OCCNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909409756 683197044 /nfs/dbraw/zinc/19/70/44/683197044.db2.gz ZBCJHTHDJCDPIR-OAHLLOKOSA-N -1 1 348.443 2.102 20 0 EEADMM CN(C(=O)C(C)(C)c1ccc(OC(F)(F)F)cc1)c1nn[n-]n1 ZINC000892954184 683322681 /nfs/dbraw/zinc/32/26/81/683322681.db2.gz FDDHTPRPSYGZFN-UHFFFAOYSA-N -1 1 329.282 2.039 20 0 EEADMM CCOC(=O)[C@H](CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840685046 683681328 /nfs/dbraw/zinc/68/13/28/683681328.db2.gz HXCDPCDKKIMBPC-LBPRGKRZSA-N -1 1 334.324 2.131 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1cccc(F)n1 ZINC001058683716 683857664 /nfs/dbraw/zinc/85/76/64/683857664.db2.gz FVVMYTAPDODQEO-ZDUSSCGKSA-N -1 1 344.390 2.310 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)CCc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000153358501 683966928 /nfs/dbraw/zinc/96/69/28/683966928.db2.gz JZGSXGXSYWOTNF-UHFFFAOYSA-N -1 1 341.198 2.419 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCC2(O)CCCCC2)c(=O)[n-]1 ZINC000893167158 683986847 /nfs/dbraw/zinc/98/68/47/683986847.db2.gz 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Cc1ccc(CN(CCc2ccccc2)CC(=O)NCC(=O)[O-])s1 ZINC000262213174 684501600 /nfs/dbraw/zinc/50/16/00/684501600.db2.gz KEOYLHXBEXHSRU-UHFFFAOYSA-N -1 1 346.452 2.302 20 0 EEADMM Cc1cc(N2C[C@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)ccc1F ZINC000162639756 684799842 /nfs/dbraw/zinc/79/98/42/684799842.db2.gz ODFPJRURMAXQNN-SNVBAGLBSA-N -1 1 348.296 2.487 20 0 EEADMM CC[C@@H](C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516765 686287045 /nfs/dbraw/zinc/28/70/45/686287045.db2.gz UDMGECXIFIOLSI-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3O)C2)on1 ZINC001027307398 687343153 /nfs/dbraw/zinc/34/31/53/687343153.db2.gz RQBXKNNWPAXPBZ-CQSZACIVSA-N -1 1 329.400 2.425 20 0 EEADMM CC1(C)CC[C@H](CNC(=O)C2CCC2)N(C(=O)c2ncccc2[O-])C1 ZINC000991006192 694169131 /nfs/dbraw/zinc/16/91/31/694169131.db2.gz SBYOTZIWOLGCEA-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])[C@]1(NCc2cncs2)CCCN(Cc2ccccc2)C1 ZINC000904024911 694274724 /nfs/dbraw/zinc/27/47/24/694274724.db2.gz YOYRSQJDBZGXGD-KRWDZBQOSA-N -1 1 331.441 2.352 20 0 EEADMM Cc1c([C@@H](NCc2ccc(OC(F)F)c(F)c2)C(=O)[O-])cnn1C ZINC000904047202 694281805 /nfs/dbraw/zinc/28/18/05/694281805.db2.gz CCOZXCXFCXVVRS-CYBMUJFWSA-N -1 1 343.305 2.385 20 0 EEADMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000263470818 689892081 /nfs/dbraw/zinc/89/20/81/689892081.db2.gz XTSBROMSTIWNSL-AWEZNQCLSA-N -1 1 328.372 2.331 20 0 EEADMM CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904231285 694333148 /nfs/dbraw/zinc/33/31/48/694333148.db2.gz QPZMQZXHNJQIMH-KRWDZBQOSA-N -1 1 349.475 2.353 20 0 EEADMM CCOc1cccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000904217407 694329697 /nfs/dbraw/zinc/32/96/97/694329697.db2.gz DDWGCNBBKBKXGX-UKRRQHHQSA-N -1 1 334.416 2.059 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1)c1ncccc1[O-] ZINC000937863376 691032195 /nfs/dbraw/zinc/03/21/95/691032195.db2.gz GOHFECGSHGYZOZ-ZDUSSCGKSA-N -1 1 345.786 2.085 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3ccc(CN4CCCCC4)o3)ccnc1-2 ZINC000904935958 694492461 /nfs/dbraw/zinc/49/24/61/694492461.db2.gz FNDSAUGNJDEOOK-UHFFFAOYSA-N -1 1 339.399 2.173 20 0 EEADMM CC1CCC(C)(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000938146685 692451905 /nfs/dbraw/zinc/45/19/05/692451905.db2.gz KSVRDRXNUNPEDD-BIWSTMPVSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(NC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001060021007 692811991 /nfs/dbraw/zinc/81/19/91/692811991.db2.gz HJBCMEWYNCUNAR-AWEZNQCLSA-N -1 1 341.415 2.158 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)C=C1CCC1)C(=O)c1ncccc1[O-] ZINC000990515642 692993855 /nfs/dbraw/zinc/99/38/55/692993855.db2.gz YPBHVCRNUYBGEE-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM O=C([O-])c1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)n1 ZINC000323465250 693020489 /nfs/dbraw/zinc/02/04/89/693020489.db2.gz JUZMDENPSBSXTK-UHFFFAOYSA-N -1 1 339.395 2.128 20 0 EEADMM C[C@H](NC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)c1cc(=O)[nH][n-]1 ZINC000898877158 693500313 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O=C(NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC001015412287 1225219086 /nfs/dbraw/zinc/21/90/86/1225219086.db2.gz WNGAUCQTOVDOCF-UKRRQHHQSA-N -1 1 339.395 2.116 20 0 EEADMM Nc1nc([O-])c(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)s1 ZINC000079428625 1210588266 /nfs/dbraw/zinc/58/82/66/1210588266.db2.gz NNWHWJJAVUWWOE-MRXNPFEDSA-N -1 1 349.415 2.372 20 0 EEADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1sc(N)nc1[O-] ZINC000080159560 1210810563 /nfs/dbraw/zinc/81/05/63/1210810563.db2.gz JJOFNODHRDVMQE-RISCZKNCSA-N -1 1 331.441 2.161 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)CC2 ZINC000080594443 1210972544 /nfs/dbraw/zinc/97/25/44/1210972544.db2.gz AGXWYMPHZWNCKE-UHFFFAOYSA-N -1 1 341.411 2.409 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)C1CCCCCC1 ZINC001012381377 1225252516 /nfs/dbraw/zinc/25/25/16/1225252516.db2.gz MJRMLRNCMHCXCJ-DZGCQCFKSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)CC1=CCCCC1 ZINC001012389154 1225263144 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Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OC[C@@H]1CCC[C@@H](O)C1 ZINC000795371561 1212015761 /nfs/dbraw/zinc/01/57/61/1212015761.db2.gz YYLZCNZNPYNUQA-ZIAGYGMSSA-N -1 1 347.415 2.079 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c([C@@H](C)O)c1 ZINC000795386154 1212028336 /nfs/dbraw/zinc/02/83/36/1212028336.db2.gz DBHGATLYLMBAMO-SSDOTTSWSA-N -1 1 343.332 2.279 20 0 EEADMM CC(C)[C@H]1C[C@@H]1C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000954329204 1212151055 /nfs/dbraw/zinc/15/10/55/1212151055.db2.gz GRTQXNLJPLDMPZ-CABCVRRESA-N -1 1 345.443 2.142 20 0 EEADMM CN(C(=O)C1(C2CC2)CC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000954019659 1212350715 /nfs/dbraw/zinc/35/07/15/1212350715.db2.gz FWUCATUSBYZOCW-UHFFFAOYSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H]1CCCC[C@H]1CC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954657887 1212468917 /nfs/dbraw/zinc/46/89/17/1212468917.db2.gz GGZCIDOMOMOIKW-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C=C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000955649641 1213235659 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ZINC000964846950 1218671058 /nfs/dbraw/zinc/67/10/58/1218671058.db2.gz CKNORVXFFVUQKV-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cc(CN2CC[C@H](C)[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC000965915928 1219354492 /nfs/dbraw/zinc/35/44/92/1219354492.db2.gz FNERBECMAKIEKX-HZMBPMFUSA-N -1 1 348.472 2.434 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000966428572 1219745633 /nfs/dbraw/zinc/74/56/33/1219745633.db2.gz DQXJAEACSXIMIA-ZDUSSCGKSA-N -1 1 349.406 2.361 20 0 EEADMM CC(C)CC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967523611 1220595664 /nfs/dbraw/zinc/59/56/64/1220595664.db2.gz FZIJSNLSWDRWNI-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000967524458 1220597076 /nfs/dbraw/zinc/59/70/76/1220597076.db2.gz IBVKNSDPAXRCTC-XVJNWHFHSA-N -1 1 343.427 2.207 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967528644 1220600754 /nfs/dbraw/zinc/60/07/54/1220600754.db2.gz VNAWTEDNMGPRCP-HIICFIELSA-N -1 1 331.416 2.207 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC000967909170 1220910674 /nfs/dbraw/zinc/91/06/74/1220910674.db2.gz WRZBRSHCDWQIAZ-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)[C@@H]1CCCC1(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968247950 1221149775 /nfs/dbraw/zinc/14/97/75/1221149775.db2.gz KTEOYBJLERFCOG-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1nc(C)c(F)c(NCCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001114911864 1221244335 /nfs/dbraw/zinc/24/43/35/1221244335.db2.gz TWLDMVJDTDTXIM-SNVBAGLBSA-N -1 1 347.394 2.344 20 0 EEADMM Cc1cc(CN2CCC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c(C)s1 ZINC001007111954 1222097283 /nfs/dbraw/zinc/09/72/83/1222097283.db2.gz MCXMPTIFUCVWJY-CQSZACIVSA-N -1 1 348.472 2.496 20 0 EEADMM C/C(=C/C(=O)N1C[C@H](CNC(=O)c2ncccc2[O-])C[C@@H]1C)C1CC1 ZINC001010031971 1223513921 /nfs/dbraw/zinc/51/39/21/1223513921.db2.gz JDBYSLSKAZWPGX-KGKULNKVSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H]1C[C@@H](CNC(=O)C2CCCCC2)CN1C(=O)c1ncccc1[O-] ZINC001010117395 1223560176 /nfs/dbraw/zinc/56/01/76/1223560176.db2.gz ARRSSIXAZIIHJP-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC001010126317 1223564282 /nfs/dbraw/zinc/56/42/82/1223564282.db2.gz PJUUCGACACHNRV-UONOGXRCSA-N -1 1 339.395 2.068 20 0 EEADMM CC(C)(C)CC(=O)N1CC2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC001010533728 1223770008 /nfs/dbraw/zinc/77/00/08/1223770008.db2.gz FKTDFSRLHYVXIM-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CC(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)C[C@H](C)C1 ZINC001011036288 1224022199 /nfs/dbraw/zinc/02/21/99/1224022199.db2.gz OVYSSXJDHASWSB-ZIAGYGMSSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)[C@@H](C)CC(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001066991790 1224034049 /nfs/dbraw/zinc/03/40/49/1224034049.db2.gz UYIIFNGUFPBEBL-AWEZNQCLSA-N -1 1 335.448 2.390 20 0 EEADMM CC1CC(C(=O)N2CC[C@]3(NC(=O)c4ncccc4[O-])CCC[C@H]23)C1 ZINC001014258722 1226422212 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EEADMM CS(=O)(=O)[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000800622865 1234370747 /nfs/dbraw/zinc/37/07/47/1234370747.db2.gz VIPDNKJJUYCWBZ-JTQLQIEISA-N -1 1 331.821 2.085 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C/C(Cl)=C\Cl)C1 ZINC001046262937 1234607453 /nfs/dbraw/zinc/60/74/53/1234607453.db2.gz ZDFROSXCZYNBOI-DNGMOHDESA-N -1 1 330.215 2.300 20 0 EEADMM CC(C)c1nc(COC(=O)c2nn(-c3ccccc3)cc2[O-])no1 ZINC000801203014 1235213141 /nfs/dbraw/zinc/21/31/41/1235213141.db2.gz MSLGTZKHBOWZMA-UHFFFAOYSA-N -1 1 328.328 2.441 20 0 EEADMM C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cnccn1 ZINC000801326170 1235425036 /nfs/dbraw/zinc/42/50/36/1235425036.db2.gz WSIQWLULOAOHLS-SNVBAGLBSA-N -1 1 328.303 2.425 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3cc(C)on3)n2)cc1 ZINC000801366223 1235461003 /nfs/dbraw/zinc/46/10/03/1235461003.db2.gz QUWGBYNCFSUPPB-UHFFFAOYSA-N -1 1 329.312 2.240 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OC[C@H]3COC(=O)O3)n2)c1 ZINC000801409596 1235535048 /nfs/dbraw/zinc/53/50/48/1235535048.db2.gz ABVUIPNQHIFWCE-ZDUSSCGKSA-N -1 1 346.339 2.394 20 0 EEADMM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC001413373786 1235968979 /nfs/dbraw/zinc/96/89/79/1235968979.db2.gz WLQUMXWTZNYUEY-UHFFFAOYSA-N -1 1 338.191 2.345 20 0 EEADMM C[C@H](CN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000901627170 1236068768 /nfs/dbraw/zinc/06/87/68/1236068768.db2.gz QYDHBEFFVHCJDV-UKRRQHHQSA-N -1 1 336.407 2.184 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ncc(Cl)cn1 ZINC001048643772 1238172894 /nfs/dbraw/zinc/17/28/94/1238172894.db2.gz UYJNOGYYJIUBFO-NWDGAFQWSA-N -1 1 347.806 2.018 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CN(C/C(Cl)=C\Cl)C[C@H]2C1 ZINC001048780236 1238606795 /nfs/dbraw/zinc/60/67/95/1238606795.db2.gz FAFSEVDFMIOAMJ-FGPSHJJUSA-N -1 1 342.226 2.110 20 0 EEADMM CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001056357206 1239252413 /nfs/dbraw/zinc/25/24/13/1239252413.db2.gz KIFUQUNAQUNESS-KGLIPLIRSA-N -1 1 331.416 2.183 20 0 EEADMM CCOC(CC(=O)Nc1nc(Br)ccc1[O-])OCC ZINC000803172377 1239658598 /nfs/dbraw/zinc/65/85/98/1239658598.db2.gz NMBHEUGHNLIMCF-UHFFFAOYSA-N -1 1 333.182 2.277 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2[C@H]1CCN2Cc1cncs1 ZINC001049432400 1240896948 /nfs/dbraw/zinc/89/69/48/1240896948.db2.gz FMQKZNVNTLEPEL-UONOGXRCSA-N -1 1 344.440 2.123 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1OC ZINC000903610329 1241150824 /nfs/dbraw/zinc/15/08/24/1241150824.db2.gz TWWGIDLHIINCPJ-UHFFFAOYSA-N -1 1 325.390 2.351 20 0 EEADMM C[C@H]1CCCC[C@H]1CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001543898 1242457919 /nfs/dbraw/zinc/45/79/19/1242457919.db2.gz JGNULNGVEHEGAT-ZFWWWQNUSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)/C=C/C(C)(C)C)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC001073899914 1242762713 /nfs/dbraw/zinc/76/27/13/1242762713.db2.gz DBVRJZMJQMJIDF-BIYBCCJYSA-N -1 1 345.443 2.356 20 0 EEADMM C/C(=C\C(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001050523801 1243779127 /nfs/dbraw/zinc/77/91/27/1243779127.db2.gz SESNAXPYRPQRJR-ZYICGEMBSA-N -1 1 343.427 2.110 20 0 EEADMM CC/C(C)=C/C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001050640277 1244011595 /nfs/dbraw/zinc/01/15/95/1244011595.db2.gz DAGNJLMVVZDOTD-IRTDIPEASA-N -1 1 331.416 2.110 20 0 EEADMM CCc1nc(C)cc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057624339 1244471886 /nfs/dbraw/zinc/47/18/86/1244471886.db2.gz XECUYLGMVHIBKB-CYBMUJFWSA-N -1 1 341.415 2.165 20 0 EEADMM Cc1nsc(N2CCCCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001068009394 1250191640 /nfs/dbraw/zinc/19/16/40/1250191640.db2.gz MRCMNVNLMVZINA-GFCCVEGCSA-N -1 1 347.444 2.126 20 0 EEADMM Cc1cccc2nc(N3CCC(NC(=O)c4cnn[nH]4)CC3)sc21 ZINC001057973482 1248187932 /nfs/dbraw/zinc/18/79/32/1248187932.db2.gz CXSRDACOKHDKTA-UHFFFAOYSA-N -1 1 342.428 2.122 20 0 EEADMM Cc1ccc(N[C@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])nn1 ZINC001058006236 1248251370 /nfs/dbraw/zinc/25/13/70/1248251370.db2.gz BSFSXVMMNUTXQO-ZIAGYGMSSA-N -1 1 341.415 2.381 20 0 EEADMM C[C@@H](Nc1ncc(F)cn1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058007092 1248253892 /nfs/dbraw/zinc/25/38/92/1248253892.db2.gz PQKIOHKOTVFYMG-YPMHNXCESA-N -1 1 345.378 2.212 20 0 EEADMM C[C@@H](CNC(=O)CCCc1nn[n-]n1)c1nc2ccccc2s1 ZINC001137459161 1248602139 /nfs/dbraw/zinc/60/21/39/1248602139.db2.gz HWOTWJQAFVRTNQ-JTQLQIEISA-N -1 1 330.417 2.052 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(c2nc3c(cccc3F)o2)CC1 ZINC001055776629 1250797622 /nfs/dbraw/zinc/79/76/22/1250797622.db2.gz BITPDTAPFRREAB-UHFFFAOYSA-N -1 1 342.330 2.030 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001069461091 1252906998 /nfs/dbraw/zinc/90/69/98/1252906998.db2.gz IUZUVFMFZCVWNF-KGLIPLIRSA-N -1 1 341.415 2.205 20 0 EEADMM CC(C)[C@H](C)CC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001070536433 1253650960 /nfs/dbraw/zinc/65/09/60/1253650960.db2.gz MEOGHPUPWLVCGR-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)CC2(C)CC2)CCN1C(=O)c1ncccc1[O-] ZINC001075074730 1257331447 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CC(C)([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1F ZINC000867299592 1285479835 /nfs/dbraw/zinc/47/98/35/1285479835.db2.gz WIFYKOSRSDNNPG-UHFFFAOYSA-N -1 1 334.438 2.157 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ncncc1Cl ZINC001069359576 1285670094 /nfs/dbraw/zinc/67/00/94/1285670094.db2.gz NWECAISSTXCOJV-ZYHUDNBSSA-N -1 1 347.806 2.018 20 0 EEADMM CC(C)c1ccc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)c(Cl)n1 ZINC001199702606 1285778336 /nfs/dbraw/zinc/77/83/36/1285778336.db2.gz ANCDNMBBEJFUBY-UHFFFAOYSA-N -1 1 332.751 2.483 20 0 EEADMM CCOC(=O)N[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000150010955 1286251664 /nfs/dbraw/zinc/25/16/64/1286251664.db2.gz LNCDZHUPRZSZHV-SNVBAGLBSA-N -1 1 326.780 2.396 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1nccc(Cl)n1 ZINC001201764841 1289748657 /nfs/dbraw/zinc/74/86/57/1289748657.db2.gz SIQUEJUIQIKTBA-UHFFFAOYSA-N -1 1 339.229 2.027 20 0 EEADMM Cc1nsc(NC[C@H](NC(=O)c2ncccc2[O-])C2CCCC2)n1 ZINC001110657371 1292219537 /nfs/dbraw/zinc/21/95/37/1292219537.db2.gz 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COc1ccncc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258979518 1319401018 /nfs/dbraw/zinc/40/10/18/1319401018.db2.gz XSKVVANBRGHZAC-BDJLRTHQSA-N -1 1 338.429 2.227 20 0 EEADMM O=S(=O)([N-]Cc1ccc(O)cc1F)c1cc(F)c(F)cc1F ZINC001259044165 1319423429 /nfs/dbraw/zinc/42/34/29/1319423429.db2.gz VQSMSHGHECUHHD-UHFFFAOYSA-N -1 1 335.278 2.427 20 0 EEADMM CSc1nc(NS(=O)(=O)c2cccc3cnccc32)cc(=O)[n-]1 ZINC001259151726 1319457839 /nfs/dbraw/zinc/45/78/39/1319457839.db2.gz XCYZPZCYIPBACU-UHFFFAOYSA-N -1 1 348.409 2.253 20 0 EEADMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1CO ZINC001259385046 1319548457 /nfs/dbraw/zinc/54/84/57/1319548457.db2.gz UMCDTWJYSUBXGP-UHFFFAOYSA-N -1 1 334.353 2.135 20 0 EEADMM O=S(=O)([N-]C1(CO)CCSCC1)c1cc(Cl)ccc1F ZINC001259461185 1319582731 /nfs/dbraw/zinc/58/27/31/1319582731.db2.gz KNLZKLNLSFJGAD-UHFFFAOYSA-N -1 1 339.841 2.016 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CC(=O)NC3)cc1F ZINC001259480297 1319591798 /nfs/dbraw/zinc/59/17/98/1319591798.db2.gz JCATYGPTZTUHRM-UHFFFAOYSA-N -1 1 334.372 2.107 20 0 EEADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)NC3)c1 ZINC001259525106 1319610735 /nfs/dbraw/zinc/61/07/35/1319610735.db2.gz YSDKOCVZVMQZGW-UHFFFAOYSA-N -1 1 330.409 2.277 20 0 EEADMM O=S(=O)(CCc1ccccc1)[N-]c1ccccc1C1=NCCO1 ZINC001259738801 1319655581 /nfs/dbraw/zinc/65/55/81/1319655581.db2.gz UOBCGDVSFUSQDB-UHFFFAOYSA-N -1 1 330.409 2.448 20 0 EEADMM COc1ccc([N-]S(=O)(=O)CCc2ccccc2F)nc1OC ZINC001259780110 1319674997 /nfs/dbraw/zinc/67/49/97/1319674997.db2.gz ITSCGQRKWJVUFH-UHFFFAOYSA-N -1 1 340.376 2.222 20 0 EEADMM O=S(=O)([N-]c1ncc(Cl)nc1Cl)c1ccc2c(c1)OCO2 ZINC001259844029 1319704652 /nfs/dbraw/zinc/70/46/52/1319704652.db2.gz UHJJFLTVYLJMTL-UHFFFAOYSA-N -1 1 348.167 2.313 20 0 EEADMM O=S(=O)(CCC(F)(F)F)[N-]c1cnc2c(C3CC3)cnn2c1 ZINC001259867106 1319713440 /nfs/dbraw/zinc/71/34/40/1319713440.db2.gz HNWBQEJTHKWXHY-UHFFFAOYSA-N -1 1 334.323 2.301 20 0 EEADMM Cc1c(O)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC001260160685 1319813088 /nfs/dbraw/zinc/81/30/88/1319813088.db2.gz FHSNOSRQMZFUQB-UHFFFAOYSA-N -1 1 332.381 2.020 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc4oncc4c3)ccc21 ZINC001260160330 1319813274 /nfs/dbraw/zinc/81/32/74/1319813274.db2.gz KXXDIFKDTQJFTH-UHFFFAOYSA-N -1 1 343.364 2.148 20 0 EEADMM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1F ZINC001260298331 1319861910 /nfs/dbraw/zinc/86/19/10/1319861910.db2.gz HTGGZLGDRMUCLM-UHFFFAOYSA-N -1 1 338.360 2.042 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)cc1F ZINC001260610467 1319920491 /nfs/dbraw/zinc/92/04/91/1319920491.db2.gz YWUYUFMXQXPSMP-UHFFFAOYSA-N -1 1 349.343 2.289 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=O)s1 ZINC001260679834 1319941559 /nfs/dbraw/zinc/94/15/59/1319941559.db2.gz LUTBHAGBZRUGEM-UHFFFAOYSA-N -1 1 332.388 2.040 20 0 EEADMM COc1cccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)n1 ZINC001161197664 1320417198 /nfs/dbraw/zinc/41/71/98/1320417198.db2.gz DWDOZTKNVDSIBR-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM COc1cccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)n1 ZINC001161197664 1320417201 /nfs/dbraw/zinc/41/72/01/1320417201.db2.gz DWDOZTKNVDSIBR-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM CCOc1nnc(NCC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001164244959 1321328733 /nfs/dbraw/zinc/32/87/33/1321328733.db2.gz PTPSRYVNTVPTLN-UHFFFAOYSA-N -1 1 328.294 2.119 20 0 EEADMM O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)C1CCCCCCC1 ZINC001166099137 1321653688 /nfs/dbraw/zinc/65/36/88/1321653688.db2.gz PQCSAKVXKOTZQG-UHFFFAOYSA-N -1 1 349.479 2.247 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(CCc3ccccn3)CC2)cc1 ZINC001204155224 1322062409 /nfs/dbraw/zinc/06/24/09/1322062409.db2.gz VUXRLUUSXPUGBH-UHFFFAOYSA-N -1 1 325.412 2.140 20 0 EEADMM CN(c1nnc(-c2cc(Cl)ncc2[O-])n1C)[C@@H]1CCSC1 ZINC001262879319 1322388618 /nfs/dbraw/zinc/38/86/18/1322388618.db2.gz YWAIXVWUTHSPJL-MRVPVSSYSA-N -1 1 325.825 2.178 20 0 EEADMM CC(C)Cn1cc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cn1 ZINC001205882329 1323329458 /nfs/dbraw/zinc/32/94/58/1323329458.db2.gz GCQPUBYGEGIAIW-UHFFFAOYSA-N -1 1 338.389 2.255 20 0 EEADMM CC(C)(C)CCCCC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001208179573 1324346819 /nfs/dbraw/zinc/34/68/19/1324346819.db2.gz HHNWIPUOXJLUGQ-ZDUSSCGKSA-N -1 1 337.468 2.197 20 0 EEADMM COc1c(F)c(F)c(Nc2c(N)[nH]c(=S)[n-]c2=O)c(F)c1F ZINC001210764276 1325423319 /nfs/dbraw/zinc/42/33/19/1325423319.db2.gz NIWCERBCKDDEFU-UHFFFAOYSA-N -1 1 336.270 2.362 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1csc(C2CCCCC2)n1 ZINC001608486870 1351702981 /nfs/dbraw/zinc/70/29/81/1351702981.db2.gz JXPVQIZJYZAOEZ-GFCCVEGCSA-N -1 1 348.428 2.340 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3c(F)ccc(O)c3F)[nH]c21 ZINC001608524163 1351709320 /nfs/dbraw/zinc/70/93/20/1351709320.db2.gz HNENFEVWCDVKHC-UHFFFAOYSA-N -1 1 333.250 2.497 20 0 EEADMM CC[C@@H](C)n1nc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)cc1C ZINC001590418853 1349315659 /nfs/dbraw/zinc/31/56/59/1349315659.db2.gz VFLBEGIUKZWHDO-MRVPVSSYSA-N -1 1 347.404 2.156 20 0 EEADMM CC[C@@H](C)n1nc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)cc1C ZINC001590418853 1349315663 /nfs/dbraw/zinc/31/56/63/1349315663.db2.gz VFLBEGIUKZWHDO-MRVPVSSYSA-N -1 1 347.404 2.156 20 0 EEADMM Nc1c(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001601210028 1350231987 /nfs/dbraw/zinc/23/19/87/1350231987.db2.gz XTBJAMXDJGSEHR-UHFFFAOYSA-N -1 1 349.290 2.115 20 0 EEADMM O=C([O-])c1cc(Br)oc1CN1CC[C@]2(CCOC2)C1 ZINC001602241742 1350474111 /nfs/dbraw/zinc/47/41/11/1350474111.db2.gz WOZSGGUYDLKJQI-ZDUSSCGKSA-N -1 1 330.178 2.353 20 0 EEADMM C[C@@H](Cc1cccs1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603585492 1350725404 /nfs/dbraw/zinc/72/54/04/1350725404.db2.gz ZVMKPDRRZMIKCB-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM C[C@@H](Cc1cccs1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603585492 1350725406 /nfs/dbraw/zinc/72/54/06/1350725406.db2.gz ZVMKPDRRZMIKCB-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM Fc1c(Cl)cc(Cl)cc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001606304326 1351291023 /nfs/dbraw/zinc/29/10/23/1351291023.db2.gz UHCIBOFKBGXJHC-UHFFFAOYSA-N -1 1 340.149 2.137 20 0 EEADMM COc1nccc(F)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC001185541631 1368161024 /nfs/dbraw/zinc/16/10/24/1368161024.db2.gz WLMZWTNFDUDJFV-UHFFFAOYSA-N -1 1 342.124 2.345 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1cccc2nc(CO)[nH]c21)c1cccs1 ZINC001608672974 1351739228 /nfs/dbraw/zinc/73/92/28/1351739228.db2.gz NAJMSQCLJZGXSS-NSHDSACASA-N -1 1 345.380 2.063 20 0 EEADMM O=C(Nc1nn[n-]n1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 ZINC001318597224 1332566158 /nfs/dbraw/zinc/56/61/58/1332566158.db2.gz PGVPHGOPYGPCOK-UHFFFAOYSA-N -1 1 341.350 2.181 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CNC[C@H]2CCCCS2(=O)=O)c1 ZINC001608892273 1351788711 /nfs/dbraw/zinc/78/87/11/1351788711.db2.gz JGFQCTXNWPOGHN-GFCCVEGCSA-N -1 1 331.821 2.095 20 0 EEADMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320585237 1332915368 /nfs/dbraw/zinc/91/53/68/1332915368.db2.gz QUARTWUTZXQAKD-APPZFPTMSA-N -1 1 327.233 2.074 20 0 EEADMM O=C([O-])c1nscc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC001609005463 1351812302 /nfs/dbraw/zinc/81/23/02/1351812302.db2.gz QEKUCFNFBJZJBE-VIFPVBQESA-N -1 1 348.352 2.126 20 0 EEADMM O=S(=O)([N-]Cc1ncccc1F)c1cnc(Cl)cc1Cl ZINC001321074043 1333012271 /nfs/dbraw/zinc/01/22/71/1333012271.db2.gz PZLWDSAVMJVCMI-UHFFFAOYSA-N -1 1 336.175 2.401 20 0 EEADMM C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001321844113 1333166838 /nfs/dbraw/zinc/16/68/38/1333166838.db2.gz BIIDIMNTRLIPQW-DTWKUNHWSA-N -1 1 339.244 2.339 20 0 EEADMM CC(C)[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001609090769 1351838170 /nfs/dbraw/zinc/83/81/70/1351838170.db2.gz FFJHBNXRODRXFP-GHMZBOCLSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001609090769 1351838173 /nfs/dbraw/zinc/83/81/73/1351838173.db2.gz FFJHBNXRODRXFP-GHMZBOCLSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)OCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609101698 1351844150 /nfs/dbraw/zinc/84/41/50/1351844150.db2.gz HFHKMZZHLPTFBG-UHFFFAOYSA-N -1 1 341.371 2.315 20 0 EEADMM CC(C)OCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609101698 1351844152 /nfs/dbraw/zinc/84/41/52/1351844152.db2.gz HFHKMZZHLPTFBG-UHFFFAOYSA-N -1 1 341.371 2.315 20 0 EEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N)cc1 ZINC001609108536 1351846764 /nfs/dbraw/zinc/84/67/64/1351846764.db2.gz CIHRVHXCFSPSFK-NSHDSACASA-N -1 1 338.371 2.081 20 0 EEADMM C[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N)cc1 ZINC001609108536 1351846770 /nfs/dbraw/zinc/84/67/70/1351846770.db2.gz CIHRVHXCFSPSFK-NSHDSACASA-N -1 1 338.371 2.081 20 0 EEADMM C[C@@H](CCOCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609111303 1351848074 /nfs/dbraw/zinc/84/80/74/1351848074.db2.gz NYRROPGEGJYLOY-LBPRGKRZSA-N -1 1 341.371 2.185 20 0 EEADMM C[C@@H](CCOCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609111303 1351848078 /nfs/dbraw/zinc/84/80/78/1351848078.db2.gz NYRROPGEGJYLOY-LBPRGKRZSA-N -1 1 341.371 2.185 20 0 EEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609139682 1351857251 /nfs/dbraw/zinc/85/72/51/1351857251.db2.gz VMYRFZYGBWTDQM-JTQLQIEISA-N -1 1 326.335 2.234 20 0 EEADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609139682 1351857258 /nfs/dbraw/zinc/85/72/58/1351857258.db2.gz VMYRFZYGBWTDQM-JTQLQIEISA-N -1 1 326.335 2.234 20 0 EEADMM CC1(C)CCC[C@H]1[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)C1 ZINC001609145520 1351860812 /nfs/dbraw/zinc/86/08/12/1351860812.db2.gz QHDZNOMDXSAURM-ZFWWWQNUSA-N -1 1 342.447 2.134 20 0 EEADMM CC1(C)CCC[C@H]1[C@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)C1 ZINC001609145520 1351860816 /nfs/dbraw/zinc/86/08/16/1351860816.db2.gz QHDZNOMDXSAURM-ZFWWWQNUSA-N -1 1 342.447 2.134 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)NC1CCC(C)CC1 ZINC001609160403 1351869336 /nfs/dbraw/zinc/86/93/36/1351869336.db2.gz CVZWAEMFPGUSPU-MOENNCHZSA-N -1 1 346.460 2.437 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)NC1CCC(C)CC1 ZINC001609160403 1351869340 /nfs/dbraw/zinc/86/93/40/1351869340.db2.gz CVZWAEMFPGUSPU-MOENNCHZSA-N -1 1 346.460 2.437 20 0 EEADMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)C1 ZINC001325349788 1333869128 /nfs/dbraw/zinc/86/91/28/1333869128.db2.gz PZSHMSQVYURAPA-OCAPTIKFSA-N -1 1 325.217 2.234 20 0 EEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC001609168916 1351874995 /nfs/dbraw/zinc/87/49/95/1351874995.db2.gz RBTYZYSFIBHORN-SNVBAGLBSA-N -1 1 327.417 2.142 20 0 EEADMM C[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC001609168916 1351875000 /nfs/dbraw/zinc/87/50/00/1351875000.db2.gz RBTYZYSFIBHORN-SNVBAGLBSA-N -1 1 327.417 2.142 20 0 EEADMM C[C@H]1COCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609177253 1351877617 /nfs/dbraw/zinc/87/76/17/1351877617.db2.gz RJEHHKIMFXPVIY-CBAPKCEASA-N -1 1 328.298 2.117 20 0 EEADMM C[C@H]1COCC[C@@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609177253 1351877618 /nfs/dbraw/zinc/87/76/18/1351877618.db2.gz RJEHHKIMFXPVIY-CBAPKCEASA-N -1 1 328.298 2.117 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001609204333 1351889749 /nfs/dbraw/zinc/88/97/49/1351889749.db2.gz ZZPPORVREAPLQH-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609205847 1351890646 /nfs/dbraw/zinc/89/06/46/1351890646.db2.gz ZXLWNRUJIYLDDR-CQSZACIVSA-N -1 1 336.399 2.403 20 0 EEADMM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609205847 1351890651 /nfs/dbraw/zinc/89/06/51/1351890651.db2.gz ZXLWNRUJIYLDDR-CQSZACIVSA-N -1 1 336.399 2.403 20 0 EEADMM CCc1cccc2c1N(C(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001609253216 1351909756 /nfs/dbraw/zinc/90/97/56/1351909756.db2.gz XLEXQIIUYLBXOK-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CCc1cccc2c1N(C(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001609253216 1351909757 /nfs/dbraw/zinc/90/97/57/1351909757.db2.gz XLEXQIIUYLBXOK-UHFFFAOYSA-N -1 1 334.383 2.417 20 0 EEADMM CSC[C@@H]1CCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001609370754 1351949637 /nfs/dbraw/zinc/94/96/37/1351949637.db2.gz VPKNMTBFLKUQGM-SNVBAGLBSA-N -1 1 335.408 2.221 20 0 EEADMM CSC[C@@H]1CCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001609370754 1351949639 /nfs/dbraw/zinc/94/96/39/1351949639.db2.gz VPKNMTBFLKUQGM-SNVBAGLBSA-N -1 1 335.408 2.221 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCSCc2ccccc2)c1 ZINC001609386861 1351954508 /nfs/dbraw/zinc/95/45/08/1351954508.db2.gz YGLGICAKUWRROP-UHFFFAOYSA-N -1 1 327.413 2.270 20 0 EEADMM Cc1cc(N(C)C[C@H]2OCCc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001609404223 1351963649 /nfs/dbraw/zinc/96/36/49/1351963649.db2.gz JYNSXRPRTRETTC-QGZVFWFLSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(N(C)C[C@H]2OCCc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001609404223 1351963652 /nfs/dbraw/zinc/96/36/52/1351963652.db2.gz JYNSXRPRTRETTC-QGZVFWFLSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(NCc2ccccc2-n2ccnc2)cc(-c2nn[n-]n2)n1 ZINC001609410592 1351965941 /nfs/dbraw/zinc/96/59/41/1351965941.db2.gz LVVNXZCPNBWLSE-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccc(OCCCCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001609427456 1351972661 /nfs/dbraw/zinc/97/26/61/1351972661.db2.gz JWTNEPHPOSSXJF-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609437264 1351976795 /nfs/dbraw/zinc/97/67/95/1351976795.db2.gz UWRSIXFAYOFVMZ-UHFFFAOYSA-N -1 1 341.371 2.309 20 0 EEADMM Cc1ccccc1OCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609437264 1351976796 /nfs/dbraw/zinc/97/67/96/1351976796.db2.gz UWRSIXFAYOFVMZ-UHFFFAOYSA-N -1 1 341.371 2.309 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609439432 1351977595 /nfs/dbraw/zinc/97/75/95/1351977595.db2.gz GQFOKALKEALUJS-ZJUUUORDSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609439432 1351977598 /nfs/dbraw/zinc/97/75/98/1351977598.db2.gz GQFOKALKEALUJS-ZJUUUORDSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(F)c2)cc1C ZINC001609427840 1351972849 /nfs/dbraw/zinc/97/28/49/1351972849.db2.gz MEMBBDBSSWSIJW-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)COc1ccccc1F ZINC001609467872 1351988611 /nfs/dbraw/zinc/98/86/11/1351988611.db2.gz WJEIVHVVVHUIIB-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)COc1ccccc1F ZINC001609467872 1351988613 /nfs/dbraw/zinc/98/86/13/1351988613.db2.gz WJEIVHVVVHUIIB-VIFPVBQESA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC001609466616 1351988850 /nfs/dbraw/zinc/98/88/50/1351988850.db2.gz ZOELANUEZGVOTB-UHFFFAOYSA-N -1 1 348.326 2.372 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3cnn(C)c3c2)no1 ZINC001609466616 1351988851 /nfs/dbraw/zinc/98/88/51/1351988851.db2.gz ZOELANUEZGVOTB-UHFFFAOYSA-N -1 1 348.326 2.372 20 0 EEADMM Clc1ccc(N2CCOC[C@@H](C3CCC3)C2)nc1-c1nnn[n-]1 ZINC001609473212 1351990854 /nfs/dbraw/zinc/99/08/54/1351990854.db2.gz QSYDZUFOMLMCBY-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCOC[C@@H](C3CCC3)C2)nc1-c1nn[n-]n1 ZINC001609473212 1351990856 /nfs/dbraw/zinc/99/08/56/1351990856.db2.gz QSYDZUFOMLMCBY-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM Cn1ncc2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc21 ZINC001609482493 1351993552 /nfs/dbraw/zinc/99/35/52/1351993552.db2.gz FGVZGYCLGPJDBE-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Cn1ncc2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc21 ZINC001609482493 1351993554 /nfs/dbraw/zinc/99/35/54/1351993554.db2.gz FGVZGYCLGPJDBE-UHFFFAOYSA-N -1 1 340.778 2.414 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cncc(-c3nnn[n-]3)n1)CCCO2 ZINC001609491611 1351997761 /nfs/dbraw/zinc/99/77/61/1351997761.db2.gz UQOIWLDAALDWND-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cncc(-c3nn[n-]n3)n1)CCCO2 ZINC001609491611 1351997764 /nfs/dbraw/zinc/99/77/64/1351997764.db2.gz UQOIWLDAALDWND-NSHDSACASA-N -1 1 327.323 2.122 20 0 EEADMM O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1c(F)ccc([O-])c1F ZINC001609564649 1352017446 /nfs/dbraw/zinc/01/74/46/1352017446.db2.gz WZDPXVFDNZBPGC-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N(Cc1ccccc1F)C1CC1 ZINC001609581387 1352026115 /nfs/dbraw/zinc/02/61/15/1352026115.db2.gz CMUAJUOAOYOLQL-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(Cc1ccccc1F)C1CC1 ZINC001609581387 1352026120 /nfs/dbraw/zinc/02/61/20/1352026120.db2.gz CMUAJUOAOYOLQL-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=C(Oc1ccc2c(c1F)CCC2=O)c1sccc1-c1nn[n-]n1 ZINC001609588832 1352028153 /nfs/dbraw/zinc/02/81/53/1352028153.db2.gz NBOAGLQBMBGFKK-UHFFFAOYSA-N -1 1 344.327 2.415 20 0 EEADMM O[C@H]1CCOc2c(NCc3ccc(-c4nn[n-]n4)s3)cccc21 ZINC001609608800 1352035832 /nfs/dbraw/zinc/03/58/32/1352035832.db2.gz WMTOEHWXDKCVKN-LBPRGKRZSA-N -1 1 329.385 2.356 20 0 EEADMM c1sc(CSc2nnc(NC3CC3)s2)nc1-c1nnn[n-]1 ZINC001609620515 1352042738 /nfs/dbraw/zinc/04/27/38/1352042738.db2.gz AMSAAYPSKNVIJN-UHFFFAOYSA-N -1 1 338.447 2.041 20 0 EEADMM c1sc(CSc2nnc(NC3CC3)s2)nc1-c1nn[n-]n1 ZINC001609620515 1352042741 /nfs/dbraw/zinc/04/27/41/1352042741.db2.gz AMSAAYPSKNVIJN-UHFFFAOYSA-N -1 1 338.447 2.041 20 0 EEADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC001609623130 1352043656 /nfs/dbraw/zinc/04/36/56/1352043656.db2.gz HWEWZGHUZZNLHM-LBPRGKRZSA-N -1 1 346.387 2.347 20 0 EEADMM CC(C)CN(C1CCN(C)CC1)S(=O)(=O)CCCCCC(=O)[O-] ZINC001609697243 1352062153 /nfs/dbraw/zinc/06/21/53/1352062153.db2.gz HZTOFVDFVJJRIC-UHFFFAOYSA-N -1 1 348.509 2.013 20 0 EEADMM C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cc(C(=O)[O-])co1 ZINC001609782629 1352085107 /nfs/dbraw/zinc/08/51/07/1352085107.db2.gz XBMPOSNXFZFLLY-LLVKDONJSA-N -1 1 337.397 2.373 20 0 EEADMM CC1CCC(N(C)C(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)CC1 ZINC001609847340 1352100555 /nfs/dbraw/zinc/10/05/55/1352100555.db2.gz CKUVNCGOSKTAOF-KJXMEXGPSA-N -1 1 347.459 2.398 20 0 EEADMM CCCN(C(=O)NCCc1cccc(C(=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC001609974151 1352133029 /nfs/dbraw/zinc/13/30/29/1352133029.db2.gz VWEKJZORHNSMCR-MRXNPFEDSA-N -1 1 333.432 2.053 20 0 EEADMM CC[C@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C(=O)c1ccccc1 ZINC001347976392 1337528905 /nfs/dbraw/zinc/52/89/05/1337528905.db2.gz YOMJRVWTLLLTNY-NSHDSACASA-N -1 1 331.397 2.171 20 0 EEADMM CCC1(CC)[C@@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)C[C@@H]1OC ZINC001349331917 1337617724 /nfs/dbraw/zinc/61/77/24/1337617724.db2.gz VUEHHSXCOHIQTP-UWVGGRQHSA-N -1 1 325.434 2.103 20 0 EEADMM CCOc1ccc([C@@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001610040696 1352148126 /nfs/dbraw/zinc/14/81/26/1352148126.db2.gz JKDDTWIEBRYWGF-CYBMUJFWSA-N -1 1 334.416 2.059 20 0 EEADMM Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001350233545 1337685359 /nfs/dbraw/zinc/68/53/59/1337685359.db2.gz FWPFXIUQYNXRRY-CQSZACIVSA-N -1 1 334.383 2.200 20 0 EEADMM CCn1nccc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001610087102 1352159268 /nfs/dbraw/zinc/15/92/68/1352159268.db2.gz YGZNVPUKJDSKHV-CABCVRRESA-N -1 1 335.354 2.481 20 0 EEADMM CN(C(=O)CSc1n[nH]c(=S)s1)C1(C(=O)[O-])CCCCC1 ZINC001610091871 1352160132 /nfs/dbraw/zinc/16/01/32/1352160132.db2.gz VAKMWHJZJWCIIY-UHFFFAOYSA-N -1 1 347.487 2.165 20 0 EEADMM CN(C(=O)c1ccc(C(=O)[O-])o1)C1CCN(CCC(F)(F)F)CC1 ZINC001610094931 1352160481 /nfs/dbraw/zinc/16/04/81/1352160481.db2.gz VXDRQWKKZXPLJR-UHFFFAOYSA-N -1 1 348.321 2.467 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CCCC3(CCCCC3)C2)n1 ZINC001610196472 1352183270 /nfs/dbraw/zinc/18/32/70/1352183270.db2.gz ZHOQBISXGRUQEW-UHFFFAOYSA-N -1 1 335.404 2.372 20 0 EEADMM COC(=O)c1cc(NS(=O)(=O)c2ccsc2)ccc1C(=O)[O-] ZINC001610203596 1352185163 /nfs/dbraw/zinc/18/51/63/1352185163.db2.gz UWGOYJWFZNFXCU-UHFFFAOYSA-N -1 1 341.366 2.034 20 0 EEADMM CCc1ccc([C@@H]2CN(C(=O)C(=O)c3ccc([O-])cc3)CCN2)cc1 ZINC001353679936 1338318035 /nfs/dbraw/zinc/31/80/35/1338318035.db2.gz RXEXIFYLCDDNKR-SFHVURJKSA-N -1 1 338.407 2.310 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)ccc1F ZINC001200492094 1338366311 /nfs/dbraw/zinc/36/63/11/1338366311.db2.gz SFWQUNASRZBVAE-UHFFFAOYSA-N -1 1 338.316 2.482 20 0 EEADMM Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@H](C(=O)[O-])[C@@H]3C)c2C)no1 ZINC001610429856 1352221385 /nfs/dbraw/zinc/22/13/85/1352221385.db2.gz IXMWYSQDOHJDFT-GXTWGEPZSA-N -1 1 345.399 2.368 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cnn(C)c1 ZINC001610486409 1352230943 /nfs/dbraw/zinc/23/09/43/1352230943.db2.gz HNWBDVHDBLOADT-NEPJUHHUSA-N -1 1 330.388 2.105 20 0 EEADMM Cc1nc(Cl)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001610556798 1352244204 /nfs/dbraw/zinc/24/42/04/1352244204.db2.gz VSZUQCUXPMZEFA-JTQLQIEISA-N -1 1 340.811 2.056 20 0 EEADMM Cc1nc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2s1 ZINC001610560776 1352245013 /nfs/dbraw/zinc/24/50/13/1352245013.db2.gz RQNFMKFWQGUIQD-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C2CC2)n1 ZINC001610563377 1352245703 /nfs/dbraw/zinc/24/57/03/1352245703.db2.gz VYLBJCJZPNLTBV-UHFFFAOYSA-N -1 1 347.396 2.090 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN[C@H](CCO)c1ccccc1 ZINC001610667143 1352258980 /nfs/dbraw/zinc/25/89/80/1352258980.db2.gz ZMHTWMHJKORHSN-OAHLLOKOSA-N -1 1 328.368 2.037 20 0 EEADMM O=C([O-])c1nc(NC(=O)c2cnc3nc[nH]c3c2)sc1C1CC1 ZINC001610712358 1352263361 /nfs/dbraw/zinc/26/33/61/1352263361.db2.gz WEJVYSYDMJKVFA-UHFFFAOYSA-N -1 1 329.341 2.242 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(CCc3ccccc3)CC2)nc1 ZINC001610825961 1352281108 /nfs/dbraw/zinc/28/11/08/1352281108.db2.gz OPSQBSMVTVXHRJ-UHFFFAOYSA-N -1 1 325.412 2.140 20 0 EEADMM O=C([O-])c1cncc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC001610863740 1352287388 /nfs/dbraw/zinc/28/73/88/1352287388.db2.gz GCCICTDHMVBKJY-UHFFFAOYSA-N -1 1 345.336 2.236 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)C(C)(F)F ZINC001429802038 1340022418 /nfs/dbraw/zinc/02/24/18/1340022418.db2.gz ABDXJMKGQVRSJO-LLVKDONJSA-N -1 1 343.374 2.047 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CC2)C1 ZINC001429957282 1340068965 /nfs/dbraw/zinc/06/89/65/1340068965.db2.gz VETCUFCIUFWDAW-KGLIPLIRSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](CNC(=O)C(C)(C)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001433389899 1341580237 /nfs/dbraw/zinc/58/02/37/1341580237.db2.gz QTVFXNOAIXWNFR-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(CC)(NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1nn[n-]n1 ZINC001433966253 1341733503 /nfs/dbraw/zinc/73/35/03/1341733503.db2.gz HIOAXYRLPXAVMN-UHFFFAOYSA-N -1 1 344.419 2.015 20 0 EEADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccc(N)n1 ZINC001434031238 1341750385 /nfs/dbraw/zinc/75/03/85/1341750385.db2.gz SOGAZOIFJGYHGU-SSDOTTSWSA-N -1 1 326.278 2.274 20 0 EEADMM Cn1cnc(-c2cccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)c2)n1 ZINC001556176180 1342424385 /nfs/dbraw/zinc/42/43/85/1342424385.db2.gz LYERHKWJTJQSLD-UHFFFAOYSA-N -1 1 336.355 2.107 20 0 EEADMM C[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnn(C)c1 ZINC001563130632 1342541478 /nfs/dbraw/zinc/54/14/78/1342541478.db2.gz JLHDMYPFSZPRGF-NSHDSACASA-N -1 1 326.360 2.194 20 0 EEADMM CCC1(C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CCC1 ZINC001577097338 1344089884 /nfs/dbraw/zinc/08/98/84/1344089884.db2.gz GGYRROQKRYKBDT-UHFFFAOYSA-N -1 1 348.476 2.057 20 0 EEADMM COC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001579701149 1344406936 /nfs/dbraw/zinc/40/69/36/1344406936.db2.gz VUYGLWOFGVEEPA-LBPRGKRZSA-N -1 1 347.762 2.231 20 0 EEADMM COC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001579701149 1344406944 /nfs/dbraw/zinc/40/69/44/1344406944.db2.gz VUYGLWOFGVEEPA-LBPRGKRZSA-N -1 1 347.762 2.231 20 0 EEADMM COc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001580049688 1344458867 /nfs/dbraw/zinc/45/88/67/1344458867.db2.gz OHWDABJWGYSGPK-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM COc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001580049688 1344458870 /nfs/dbraw/zinc/45/88/70/1344458870.db2.gz OHWDABJWGYSGPK-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580079265 1344467458 /nfs/dbraw/zinc/46/74/58/1344467458.db2.gz FEYVMBFLIDFDBU-PBHICJAKSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580079265 1344467460 /nfs/dbraw/zinc/46/74/60/1344467460.db2.gz FEYVMBFLIDFDBU-PBHICJAKSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580085345 1344468957 /nfs/dbraw/zinc/46/89/57/1344468957.db2.gz BERQVYHMMPZTHL-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580085345 1344468961 /nfs/dbraw/zinc/46/89/61/1344468961.db2.gz BERQVYHMMPZTHL-NSHDSACASA-N -1 1 339.355 2.117 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2csc(C)c2)cc1-c1nn[n-]n1 ZINC001580230363 1344494865 /nfs/dbraw/zinc/49/48/65/1344494865.db2.gz VMCIFUZTSQOGIV-UHFFFAOYSA-N -1 1 348.413 2.311 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC1CCC(C)(C)CC1 ZINC001580601641 1344541805 /nfs/dbraw/zinc/54/18/05/1344541805.db2.gz BZZQONNAXHOXIP-UHFFFAOYSA-N -1 1 344.419 2.222 20 0 EEADMM Cc1ccc(Br)c(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001581137672 1344591793 /nfs/dbraw/zinc/59/17/93/1344591793.db2.gz LVROVRCUBNWERU-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1ccc(Br)c(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001581137672 1344591796 /nfs/dbraw/zinc/59/17/96/1344591796.db2.gz LVROVRCUBNWERU-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(Cl)c2)nn1C ZINC001581174032 1344594771 /nfs/dbraw/zinc/59/47/71/1344594771.db2.gz GBTPSDSUMSWOTI-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(Cl)c2)nn1C ZINC001581174032 1344594776 /nfs/dbraw/zinc/59/47/76/1344594776.db2.gz GBTPSDSUMSWOTI-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001581209439 1344597265 /nfs/dbraw/zinc/59/72/65/1344597265.db2.gz GVNKIXQVXWPMBS-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccc(OC(F)F)c(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001581209439 1344597267 /nfs/dbraw/zinc/59/72/67/1344597267.db2.gz GVNKIXQVXWPMBS-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581260984 1344608179 /nfs/dbraw/zinc/60/81/79/1344608179.db2.gz NFYBTJUOEZQROG-NWDGAFQWSA-N -1 1 340.412 2.052 20 0 EEADMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581260984 1344608184 /nfs/dbraw/zinc/60/81/84/1344608184.db2.gz NFYBTJUOEZQROG-NWDGAFQWSA-N -1 1 340.412 2.052 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001582245014 1344717510 /nfs/dbraw/zinc/71/75/10/1344717510.db2.gz QIGDZAMTCPINEA-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001582245014 1344717513 /nfs/dbraw/zinc/71/75/13/1344717513.db2.gz QIGDZAMTCPINEA-UHFFFAOYSA-N -1 1 338.346 2.210 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001582263429 1344720456 /nfs/dbraw/zinc/72/04/56/1344720456.db2.gz VZWPPBGAYJXNJZ-SWLSCSKDSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582414889 1344750738 /nfs/dbraw/zinc/75/07/38/1344750738.db2.gz YMZAVVMDEMOXNM-UHFFFAOYSA-N -1 1 335.371 2.115 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582414889 1344750740 /nfs/dbraw/zinc/75/07/40/1344750740.db2.gz YMZAVVMDEMOXNM-UHFFFAOYSA-N -1 1 335.371 2.115 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1C[C@H]1C1CCC1 ZINC001582653387 1344778611 /nfs/dbraw/zinc/77/86/11/1344778611.db2.gz HRUSFBWZXWSWBG-NKWVEPMBSA-N -1 1 339.812 2.287 20 0 EEADMM CC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001588886467 1348940781 /nfs/dbraw/zinc/94/07/81/1348940781.db2.gz HFFKAEJOFQMZQD-UHFFFAOYSA-N -1 1 339.431 2.030 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(CCn2ccnc2-c2nnn[n-]2)CC1 ZINC001589163398 1348966918 /nfs/dbraw/zinc/96/69/18/1348966918.db2.gz JUZXRPPVFAEKOG-UHFFFAOYSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(CCn2ccnc2-c2nn[n-]n2)CC1 ZINC001589163398 1348966921 /nfs/dbraw/zinc/96/69/21/1348966921.db2.gz JUZXRPPVFAEKOG-UHFFFAOYSA-N -1 1 347.423 2.100 20 0 EEADMM CC(C)(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)F ZINC001589269933 1348976484 /nfs/dbraw/zinc/97/64/84/1348976484.db2.gz NZRKMRRQLOOJNP-UHFFFAOYSA-N -1 1 329.282 2.489 20 0 EEADMM CC(C)c1noc(CCNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC001589778821 1349039269 /nfs/dbraw/zinc/03/92/69/1349039269.db2.gz FQTIIHZISVWANX-UHFFFAOYSA-N -1 1 340.800 2.138 20 0 EEADMM CC(C)c1noc(CCNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC001589778821 1349039270 /nfs/dbraw/zinc/03/92/70/1349039270.db2.gz FQTIIHZISVWANX-UHFFFAOYSA-N -1 1 340.800 2.138 20 0 EEADMM C[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccncc1 ZINC001589793462 1349044361 /nfs/dbraw/zinc/04/43/61/1349044361.db2.gz SPJHRILPBFFZAZ-SNVBAGLBSA-N -1 1 328.401 2.133 20 0 EEADMM C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC001589939247 1349068996 /nfs/dbraw/zinc/06/89/96/1349068996.db2.gz QYVMKKBXEMPZEW-MRVPVSSYSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC001589939247 1349069001 /nfs/dbraw/zinc/06/90/01/1349069001.db2.gz QYVMKKBXEMPZEW-MRVPVSSYSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589945239 1349072798 /nfs/dbraw/zinc/07/27/98/1349072798.db2.gz NIFXTKAXTKKKQS-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590072034 1349137724 /nfs/dbraw/zinc/13/77/24/1349137724.db2.gz CBGIJGTZKRHGBM-LLVKDONJSA-N -1 1 331.323 2.343 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590072034 1349137729 /nfs/dbraw/zinc/13/77/29/1349137729.db2.gz CBGIJGTZKRHGBM-LLVKDONJSA-N -1 1 331.323 2.343 20 0 EEADMM CC1(C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H]2CCO[C@@H]21 ZINC001590075991 1349139715 /nfs/dbraw/zinc/13/97/15/1349139715.db2.gz AFRGIMQYRMGOJT-NJUXHZRNSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590076423 1349140452 /nfs/dbraw/zinc/14/04/52/1349140452.db2.gz RJNQOZRPDYIUHN-JTQLQIEISA-N -1 1 340.309 2.065 20 0 EEADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590076423 1349140455 /nfs/dbraw/zinc/14/04/55/1349140455.db2.gz RJNQOZRPDYIUHN-JTQLQIEISA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590152279 1349176501 /nfs/dbraw/zinc/17/65/01/1349176501.db2.gz UYSCXOMEODTHFY-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590152279 1349176506 /nfs/dbraw/zinc/17/65/06/1349176506.db2.gz UYSCXOMEODTHFY-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@H](C(=O)OCCC1C[C@H](C)C[C@@H](C)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001590190533 1349191479 /nfs/dbraw/zinc/19/14/79/1349191479.db2.gz ZYORMVVWJSUYBC-IJLUTSLNSA-N -1 1 347.423 2.025 20 0 EEADMM C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590243445 1349220775 /nfs/dbraw/zinc/22/07/75/1349220775.db2.gz KNKMTEALOWLJBX-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@H](C)CN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590243445 1349220780 /nfs/dbraw/zinc/22/07/80/1349220780.db2.gz KNKMTEALOWLJBX-VHSXEESVSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001590268799 1349241109 /nfs/dbraw/zinc/24/11/09/1349241109.db2.gz ZGLOMILQDLJYLV-JTQLQIEISA-N -1 1 342.428 2.316 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@H](c2ccsc2)O1 ZINC001590298588 1349252387 /nfs/dbraw/zinc/25/23/87/1349252387.db2.gz LYKQKTBJLXHIPQ-TVQRCGJNSA-N -1 1 345.384 2.123 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@H](c2ccsc2)O1 ZINC001590298588 1349252394 /nfs/dbraw/zinc/25/23/94/1349252394.db2.gz LYKQKTBJLXHIPQ-TVQRCGJNSA-N -1 1 345.384 2.123 20 0 EEADMM C/C=C(/C)C(=O)N[C@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590356588 1349283810 /nfs/dbraw/zinc/28/38/10/1349283810.db2.gz UZESGUBFCKCFQZ-HYHWUIIZSA-N -1 1 349.464 2.295 20 0 EEADMM CC[C@H](COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)OC ZINC001590449867 1349330643 /nfs/dbraw/zinc/33/06/43/1349330643.db2.gz XJPYIQTVEFHUPV-LLVKDONJSA-N -1 1 345.359 2.141 20 0 EEADMM CC[C@H](COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)OC ZINC001590449867 1349330650 /nfs/dbraw/zinc/33/06/50/1349330650.db2.gz XJPYIQTVEFHUPV-LLVKDONJSA-N -1 1 345.359 2.141 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1F ZINC001590474367 1349347721 /nfs/dbraw/zinc/34/77/21/1349347721.db2.gz FXSVPFRXEGBVSD-OCCSQVGLSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1F ZINC001590474367 1349347729 /nfs/dbraw/zinc/34/77/29/1349347729.db2.gz FXSVPFRXEGBVSD-OCCSQVGLSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC001590478036 1349350038 /nfs/dbraw/zinc/35/00/38/1349350038.db2.gz ZVFINHCJOGGGFI-QMMMGPOBSA-N -1 1 338.389 2.205 20 0 EEADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC001590478036 1349350041 /nfs/dbraw/zinc/35/00/41/1349350041.db2.gz ZVFINHCJOGGGFI-QMMMGPOBSA-N -1 1 338.389 2.205 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001590482437 1349350652 /nfs/dbraw/zinc/35/06/52/1349350652.db2.gz KNTVPHZITOCYDJ-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001590482437 1349350656 /nfs/dbraw/zinc/35/06/56/1349350656.db2.gz KNTVPHZITOCYDJ-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CCC[C@H](CC)NS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590553897 1349369427 /nfs/dbraw/zinc/36/94/27/1349369427.db2.gz LZMWMGLCUUYXNJ-NSHDSACASA-N -1 1 341.412 2.171 20 0 EEADMM CCCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001590617351 1349377149 /nfs/dbraw/zinc/37/71/49/1349377149.db2.gz FJAHKXXBXOAVFM-UHFFFAOYSA-N -1 1 326.335 2.458 20 0 EEADMM CCCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001590617351 1349377155 /nfs/dbraw/zinc/37/71/55/1349377155.db2.gz FJAHKXXBXOAVFM-UHFFFAOYSA-N -1 1 326.335 2.458 20 0 EEADMM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590849736 1349405948 /nfs/dbraw/zinc/40/59/48/1349405948.db2.gz BPOIISFNYFOBCP-ONGXEEELSA-N -1 1 333.421 2.057 20 0 EEADMM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590849736 1349405952 /nfs/dbraw/zinc/40/59/52/1349405952.db2.gz BPOIISFNYFOBCP-ONGXEEELSA-N -1 1 333.421 2.057 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591050632 1349434700 /nfs/dbraw/zinc/43/47/00/1349434700.db2.gz KYEWGSBIOWNTEV-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591050632 1349434708 /nfs/dbraw/zinc/43/47/08/1349434708.db2.gz KYEWGSBIOWNTEV-UHFFFAOYSA-N -1 1 349.398 2.457 20 0 EEADMM CN(CC1(O)CCCC1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001591050405 1349435568 /nfs/dbraw/zinc/43/55/68/1349435568.db2.gz KTAWAXVOJYPCBA-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM CN(CC1(O)CCCC1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001591050405 1349435578 /nfs/dbraw/zinc/43/55/78/1349435578.db2.gz KTAWAXVOJYPCBA-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM COC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001591382445 1349476816 /nfs/dbraw/zinc/47/68/16/1349476816.db2.gz IVRQMJUBASEGPX-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001591382445 1349476827 /nfs/dbraw/zinc/47/68/27/1349476827.db2.gz IVRQMJUBASEGPX-LBPRGKRZSA-N -1 1 331.767 2.110 20 0 EEADMM COCC1CCC(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001591391883 1349479823 /nfs/dbraw/zinc/47/98/23/1349479823.db2.gz FDHNRYNAUGKFRW-UHFFFAOYSA-N -1 1 329.408 2.151 20 0 EEADMM COCC1CCC(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001591391883 1349479827 /nfs/dbraw/zinc/47/98/27/1349479827.db2.gz FDHNRYNAUGKFRW-UHFFFAOYSA-N -1 1 329.408 2.151 20 0 EEADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591605662 1349514048 /nfs/dbraw/zinc/51/40/48/1349514048.db2.gz AUPUFCDMEOUTDX-QMMMGPOBSA-N -1 1 345.334 2.407 20 0 EEADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591605662 1349514059 /nfs/dbraw/zinc/51/40/59/1349514059.db2.gz AUPUFCDMEOUTDX-QMMMGPOBSA-N -1 1 345.334 2.407 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001591719995 1349534479 /nfs/dbraw/zinc/53/44/79/1349534479.db2.gz VBVUDTVWBRNMMJ-LBPRGKRZSA-N -1 1 328.420 2.231 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001591719995 1349534494 /nfs/dbraw/zinc/53/44/94/1349534494.db2.gz VBVUDTVWBRNMMJ-LBPRGKRZSA-N -1 1 328.420 2.231 20 0 EEADMM Cc1cc(C(F)(F)F)ncc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591938556 1349562047 /nfs/dbraw/zinc/56/20/47/1349562047.db2.gz BAGOTMXCIMPACC-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1cc(C(F)(F)F)ncc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591938556 1349562053 /nfs/dbraw/zinc/56/20/53/1349562053.db2.gz BAGOTMXCIMPACC-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM Cc1cc(F)cc(C)c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591990833 1349579623 /nfs/dbraw/zinc/57/96/23/1349579623.db2.gz JKHUDWZBPXYBDO-UHFFFAOYSA-N -1 1 341.350 2.475 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nnn[n-]1)CC2 ZINC001592203347 1349607436 /nfs/dbraw/zinc/60/74/36/1349607436.db2.gz GEUNONIGMRPJAK-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)c1ccsc1-c1nn[n-]n1)CC2 ZINC001592203347 1349607453 /nfs/dbraw/zinc/60/74/53/1349607453.db2.gz GEUNONIGMRPJAK-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592231750 1349613256 /nfs/dbraw/zinc/61/32/56/1349613256.db2.gz CCOVZXBHVFFAHC-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592231750 1349613257 /nfs/dbraw/zinc/61/32/57/1349613257.db2.gz CCOVZXBHVFFAHC-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1ccnn1-c1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592279388 1349616204 /nfs/dbraw/zinc/61/62/04/1349616204.db2.gz VDJFTUSARBKLNP-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1ccnn1-c1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592279388 1349616208 /nfs/dbraw/zinc/61/62/08/1349616208.db2.gz VDJFTUSARBKLNP-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC001592426296 1349629770 /nfs/dbraw/zinc/62/97/70/1349629770.db2.gz NAGAAKYVYJRKLO-UHFFFAOYSA-N -1 1 340.387 2.450 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3c2CCCC3)c1-c1nnn[n-]1 ZINC001592432593 1349631871 /nfs/dbraw/zinc/63/18/71/1349631871.db2.gz DDCVHYMMRGBPCQ-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc3c2CCCC3)c1-c1nn[n-]n1 ZINC001592432593 1349631873 /nfs/dbraw/zinc/63/18/73/1349631873.db2.gz DDCVHYMMRGBPCQ-UHFFFAOYSA-N -1 1 337.387 2.040 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H]2CCCCC2(C)C)c1-c1nnn[n-]1 ZINC001592434526 1349631935 /nfs/dbraw/zinc/63/19/35/1349631935.db2.gz YPKONAOOPYSNAL-NSHDSACASA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H]2CCCCC2(C)C)c1-c1nn[n-]n1 ZINC001592434526 1349631937 /nfs/dbraw/zinc/63/19/37/1349631937.db2.gz YPKONAOOPYSNAL-NSHDSACASA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nnc([C@H](C)Nc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001592440800 1349632852 /nfs/dbraw/zinc/63/28/52/1349632852.db2.gz MLLKLIHSVMKYLZ-VKHMYHEASA-N -1 1 328.814 2.310 20 0 EEADMM Cc1nsc(N(C)CCc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC001592468967 1349634754 /nfs/dbraw/zinc/63/47/54/1349634754.db2.gz FMEACUZYBDNUIB-UHFFFAOYSA-N -1 1 344.400 2.039 20 0 EEADMM Cc1nsc(N2CC(F)(c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC001592471673 1349634820 /nfs/dbraw/zinc/63/48/20/1349634820.db2.gz DKAWETUCWHEYTA-UHFFFAOYSA-N -1 1 334.355 2.456 20 0 EEADMM Clc1cccc(C2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001592534991 1349650402 /nfs/dbraw/zinc/65/04/02/1349650402.db2.gz VDWFAPVXCYSJCG-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1cccc(C2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001592534991 1349650403 /nfs/dbraw/zinc/65/04/03/1349650403.db2.gz VDWFAPVXCYSJCG-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1nc(N2CCC[C@@H]([C@H]3CCOC3)C2)sc1-c1nnn[n-]1 ZINC001592540940 1349652843 /nfs/dbraw/zinc/65/28/43/1349652843.db2.gz SFTMHLDTUIZSRO-BDAKNGLRSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CCC[C@@H]([C@H]3CCOC3)C2)sc1-c1nn[n-]n1 ZINC001592540940 1349652850 /nfs/dbraw/zinc/65/28/50/1349652850.db2.gz SFTMHLDTUIZSRO-BDAKNGLRSA-N -1 1 340.840 2.230 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592614007 1349670340 /nfs/dbraw/zinc/67/03/40/1349670340.db2.gz QNNWNSUUGZIUJQ-BDAKNGLRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592614007 1349670348 /nfs/dbraw/zinc/67/03/48/1349670348.db2.gz QNNWNSUUGZIUJQ-BDAKNGLRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001592617707 1349674094 /nfs/dbraw/zinc/67/40/94/1349674094.db2.gz CAWCCGPTCHQOCX-SECBINFHSA-N -1 1 339.325 2.313 20 0 EEADMM FC(F)(F)[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001592617707 1349674099 /nfs/dbraw/zinc/67/40/99/1349674099.db2.gz CAWCCGPTCHQOCX-SECBINFHSA-N -1 1 339.325 2.313 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592648265 1349692791 /nfs/dbraw/zinc/69/27/91/1349692791.db2.gz FMXVZNWPGSDFRA-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592648265 1349692794 /nfs/dbraw/zinc/69/27/94/1349692794.db2.gz FMXVZNWPGSDFRA-CQSZACIVSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1F ZINC001592648767 1349693586 /nfs/dbraw/zinc/69/35/86/1349693586.db2.gz XFONCQBIVDUDIX-AWEZNQCLSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1F ZINC001592648767 1349693591 /nfs/dbraw/zinc/69/35/91/1349693591.db2.gz XFONCQBIVDUDIX-AWEZNQCLSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592656652 1349702032 /nfs/dbraw/zinc/70/20/32/1349702032.db2.gz IBWCYHXAJSSNDF-JOYOIKCWSA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592656652 1349702034 /nfs/dbraw/zinc/70/20/34/1349702034.db2.gz IBWCYHXAJSSNDF-JOYOIKCWSA-N -1 1 330.754 2.444 20 0 EEADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)o1 ZINC001592949954 1349729526 /nfs/dbraw/zinc/72/95/26/1349729526.db2.gz PNFXSCXTLHCQCT-SNVBAGLBSA-N -1 1 329.282 2.311 20 0 EEADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001592949954 1349729528 /nfs/dbraw/zinc/72/95/28/1349729528.db2.gz PNFXSCXTLHCQCT-SNVBAGLBSA-N -1 1 329.282 2.311 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592950060 1349729721 /nfs/dbraw/zinc/72/97/21/1349729721.db2.gz ROWADCTWDARCGJ-GWCFXTLKSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592950060 1349729722 /nfs/dbraw/zinc/72/97/22/1349729722.db2.gz ROWADCTWDARCGJ-GWCFXTLKSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(NCC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593056548 1349735064 /nfs/dbraw/zinc/73/50/64/1349735064.db2.gz RCHRILYAKLZLKJ-DAXSKMNVSA-N -1 1 340.774 2.358 20 0 EEADMM O=C(NCCC1CCC(F)(F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593060402 1349735165 /nfs/dbraw/zinc/73/51/65/1349735165.db2.gz APCGUABUUBLIBR-UHFFFAOYSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NCCC1CCC(F)(F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593060402 1349735169 /nfs/dbraw/zinc/73/51/69/1349735169.db2.gz APCGUABUUBLIBR-UHFFFAOYSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C[C@H]1C1CCCCC1 ZINC001593244385 1349749146 /nfs/dbraw/zinc/74/91/46/1349749146.db2.gz QQJUKVYZCCYZTL-AAEUAGOBSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1C1CCCCC1 ZINC001593244385 1349749150 /nfs/dbraw/zinc/74/91/50/1349749150.db2.gz QQJUKVYZCCYZTL-AAEUAGOBSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1sc2ncccc2c1Cl ZINC001593258137 1349752557 /nfs/dbraw/zinc/75/25/57/1349752557.db2.gz CIMWIIHHUQENER-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(-c2cccs2)o1 ZINC001593259983 1349753836 /nfs/dbraw/zinc/75/38/36/1349753836.db2.gz GLKUOUCOCMESKE-UHFFFAOYSA-N -1 1 327.329 2.164 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1CSc2ccccc21 ZINC001593302323 1349774308 /nfs/dbraw/zinc/77/43/08/1349774308.db2.gz XVNPKCAXHOPHCN-GFCCVEGCSA-N -1 1 339.380 2.194 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1CSc2ccccc21 ZINC001593302323 1349774312 /nfs/dbraw/zinc/77/43/12/1349774312.db2.gz XVNPKCAXHOPHCN-GFCCVEGCSA-N -1 1 339.380 2.194 20 0 EEADMM O=C1CCCc2nc(SCc3ccc(-c4nnn[n-]4)o3)ncc21 ZINC001593395254 1349797229 /nfs/dbraw/zinc/79/72/29/1349797229.db2.gz YDNARRHPTHAGBD-UHFFFAOYSA-N -1 1 328.357 2.061 20 0 EEADMM O=C1CCCc2nc(SCc3ccc(-c4nn[n-]n4)o3)ncc21 ZINC001593395254 1349797231 /nfs/dbraw/zinc/79/72/31/1349797231.db2.gz YDNARRHPTHAGBD-UHFFFAOYSA-N -1 1 328.357 2.061 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1C[C@H](O)CC1CCCC1 ZINC001593495138 1349819871 /nfs/dbraw/zinc/81/98/71/1349819871.db2.gz WBGYJISUFXFJOF-CYBMUJFWSA-N -1 1 339.399 2.123 20 0 EEADMM OC1(C[C@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CCCCC1 ZINC001593510319 1349824483 /nfs/dbraw/zinc/82/44/83/1349824483.db2.gz HTTPZJKVBXUZQI-CYBMUJFWSA-N -1 1 343.435 2.101 20 0 EEADMM OC1(C[C@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CCCCC1 ZINC001593510319 1349824488 /nfs/dbraw/zinc/82/44/88/1349824488.db2.gz HTTPZJKVBXUZQI-CYBMUJFWSA-N -1 1 343.435 2.101 20 0 EEADMM Oc1cccc2c1CC[C@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593540091 1349835934 /nfs/dbraw/zinc/83/59/34/1349835934.db2.gz OABYTOUYNQHAEU-GFCCVEGCSA-N -1 1 335.371 2.339 20 0 EEADMM Oc1cccc2c1CC[C@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593540091 1349835938 /nfs/dbraw/zinc/83/59/38/1349835938.db2.gz OABYTOUYNQHAEU-GFCCVEGCSA-N -1 1 335.371 2.339 20 0 EEADMM c1cc(Cc2ccc(Nc3ccnc(-c4nnn[n-]4)c3)cc2)ccn1 ZINC001593557735 1349848454 /nfs/dbraw/zinc/84/84/54/1349848454.db2.gz UOMMKOJFUUVDJN-UHFFFAOYSA-N -1 1 329.367 2.413 20 0 EEADMM c1cc(Cc2ccc(Nc3ccnc(-c4nn[n-]n4)c3)cc2)ccn1 ZINC001593557735 1349848458 /nfs/dbraw/zinc/84/84/58/1349848458.db2.gz UOMMKOJFUUVDJN-UHFFFAOYSA-N -1 1 329.367 2.413 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC001593572269 1349857608 /nfs/dbraw/zinc/85/76/08/1349857608.db2.gz WLBGBHVSXJARHT-HNNXBMFYSA-N -1 1 339.399 2.293 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC001593572269 1349857611 /nfs/dbraw/zinc/85/76/11/1349857611.db2.gz WLBGBHVSXJARHT-HNNXBMFYSA-N -1 1 339.399 2.293 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)[C@H]3CCC[C@H]23)cc1 ZINC001593574254 1349857832 /nfs/dbraw/zinc/85/78/32/1349857832.db2.gz YSJXCYVMJGKIPM-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)[C@H]3CCC[C@H]23)cc1 ZINC001593574254 1349857836 /nfs/dbraw/zinc/85/78/36/1349857836.db2.gz YSJXCYVMJGKIPM-YCPHGPKFSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cc(-c4nnn[n-]4)ncn3)CC1)C2 ZINC001593580253 1349860339 /nfs/dbraw/zinc/86/03/39/1349860339.db2.gz BUHOATWEQKTLDU-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cc(-c4nn[n-]n4)ncn3)CC1)C2 ZINC001593580253 1349860344 /nfs/dbraw/zinc/86/03/44/1349860344.db2.gz BUHOATWEQKTLDU-UHFFFAOYSA-N -1 1 347.426 2.432 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(NCC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC001593583695 1349864004 /nfs/dbraw/zinc/86/40/04/1349864004.db2.gz FBSIYNIDTBAWSY-ZDUSSCGKSA-N -1 1 344.419 2.040 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(NCC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC001593583695 1349864008 /nfs/dbraw/zinc/86/40/08/1349864008.db2.gz 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Cc1nc(NC(=O)c2cccc(-c3nnc[nH]3)c2)sc1C(=O)[O-] ZINC001600714321 1350119888 /nfs/dbraw/zinc/11/98/88/1350119888.db2.gz OGLIYSHSMRWIBS-UHFFFAOYSA-N -1 1 329.341 2.187 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)[nH]1 ZINC001600799437 1350140019 /nfs/dbraw/zinc/14/00/19/1350140019.db2.gz QFRIOFVOIGTBMQ-SECBINFHSA-N -1 1 334.401 2.422 20 0 EEADMM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc2nc(CO)[nH]c21 ZINC001600872379 1350157023 /nfs/dbraw/zinc/15/70/23/1350157023.db2.gz IAMUUMXBIVIWFI-UHFFFAOYSA-N -1 1 331.353 2.376 20 0 EEADMM Cn1nnc2cc(CNCc3ccc(Cl)c(C(=O)[O-])n3)ccc21 ZINC001601041740 1350196456 /nfs/dbraw/zinc/19/64/56/1350196456.db2.gz SVNBDCFCUBFRJA-UHFFFAOYSA-N -1 1 331.763 2.005 20 0 EEADMM Nc1ncccc1CN[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001601221786 1350235419 /nfs/dbraw/zinc/23/54/19/1350235419.db2.gz QDVXCLAVNXSJPL-LBPRGKRZSA-N -1 1 336.189 2.342 20 0 EEADMM O=C(CN1CCSC[C@H]1C1CCC1)NC1(C(=O)[O-])CCCCC1 ZINC001601318868 1350256199 /nfs/dbraw/zinc/25/61/99/1350256199.db2.gz 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O=C([O-])[C@H]1CN(C(=O)c2cccc3c[nH]nc32)c2ccc(F)cc2O1 ZINC001601847095 1350379371 /nfs/dbraw/zinc/37/93/71/1350379371.db2.gz MNCJLRXRZDWETR-CQSZACIVSA-N -1 1 341.298 2.194 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCCN[C@H](CCO)c2ccco2)cc1 ZINC001601882664 1350389834 /nfs/dbraw/zinc/38/98/34/1350389834.db2.gz HSUDPXIDHHSVLQ-CDVVCGDMSA-N -1 1 331.368 2.470 20 0 EEADMM O=C([O-])CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001601886763 1350390989 /nfs/dbraw/zinc/39/09/89/1350390989.db2.gz HJLGHLIGMLSIDX-UHFFFAOYSA-N -1 1 336.391 2.375 20 0 EEADMM O=C([O-])C[C@@]1(NCC(=O)Nc2c(Cl)cccc2Cl)CCOC1 ZINC001601932987 1350400908 /nfs/dbraw/zinc/40/09/08/1350400908.db2.gz LIRMYAHNSPTGAV-AWEZNQCLSA-N -1 1 347.198 2.155 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001602173146 1350457536 /nfs/dbraw/zinc/45/75/36/1350457536.db2.gz NTJNUSOSQPBKQW-IXDOHACOSA-N -1 1 348.418 2.060 20 0 EEADMM O=C([O-])[C@H]1CCCN(CN2CC[C@H](CCc3ccccc3)C2=O)C1 ZINC001602212198 1350467426 /nfs/dbraw/zinc/46/74/26/1350467426.db2.gz JPMRWGXCJKKDCV-IRXDYDNUSA-N -1 1 330.428 2.222 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2ccc3cncn3c2)n(-c2ccccc2)n1 ZINC001602247992 1350475835 /nfs/dbraw/zinc/47/58/35/1350475835.db2.gz RSOYXXLWYHEXTL-UHFFFAOYSA-N -1 1 347.334 2.471 20 0 EEADMM O=C([O-])c1cnc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)cn1 ZINC001602520987 1350537506 /nfs/dbraw/zinc/53/75/06/1350537506.db2.gz GYQHLHRNGGLQGE-QGZVFWFLSA-N -1 1 339.395 2.334 20 0 EEADMM O=C([O-])c1cncc(CNC2(c3ccc4c(c3)OCCO4)CC2)c1 ZINC001602540605 1350542128 /nfs/dbraw/zinc/54/21/28/1350542128.db2.gz ZRQGXIRLFGGGBR-UHFFFAOYSA-N -1 1 326.352 2.330 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC(O)(Cc2ccccc2F)CC1 ZINC001602547136 1350543045 /nfs/dbraw/zinc/54/30/45/1350543045.db2.gz DYIYUPQSHUDVAX-UHFFFAOYSA-N -1 1 334.347 2.082 20 0 EEADMM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(-c3ccccc3O)[nH]n1)CC2 ZINC001602624580 1350560348 /nfs/dbraw/zinc/56/03/48/1350560348.db2.gz BDDOXWRHRGNXPJ-QAPCUYQASA-N -1 1 341.367 2.252 20 0 EEADMM CC(=Cc1nc(C(C)C)c[nH]1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001602905880 1350602703 /nfs/dbraw/zinc/60/27/03/1350602703.db2.gz GQZVGPMGKNAJQA-YVMONPNESA-N -1 1 326.364 2.078 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cn(C)c2ccccc12 ZINC001603027912 1350623513 /nfs/dbraw/zinc/62/35/13/1350623513.db2.gz KHZBGPPLELUNBM-NSHDSACASA-N -1 1 347.382 2.496 20 0 EEADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cn(C)c2ccccc12 ZINC001603027912 1350623515 /nfs/dbraw/zinc/62/35/15/1350623515.db2.gz KHZBGPPLELUNBM-NSHDSACASA-N -1 1 347.382 2.496 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cc2ccccc2o1 ZINC001603031981 1350624593 /nfs/dbraw/zinc/62/45/93/1350624593.db2.gz MWAKODDDTHEQDU-SECBINFHSA-N -1 1 337.343 2.089 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001603031981 1350624597 /nfs/dbraw/zinc/62/45/97/1350624597.db2.gz MWAKODDDTHEQDU-SECBINFHSA-N -1 1 337.343 2.089 20 0 EEADMM CC(C)(C)OC(=O)N1CCCCN1Cc1cccc(-c2nnn[n-]2)n1 ZINC001603090142 1350638311 /nfs/dbraw/zinc/63/83/11/1350638311.db2.gz OKQJMVSFCBSOPN-UHFFFAOYSA-N -1 1 345.407 2.010 20 0 EEADMM CC(C)(C)OC(=O)N1CCCCN1Cc1cccc(-c2nn[n-]n2)n1 ZINC001603090142 1350638316 /nfs/dbraw/zinc/63/83/16/1350638316.db2.gz OKQJMVSFCBSOPN-UHFFFAOYSA-N -1 1 345.407 2.010 20 0 EEADMM CC(C)(CNC(=O)c1csc(-c2nn[n-]n2)c1)C1=CCOCC1 ZINC001603147799 1350649544 /nfs/dbraw/zinc/64/95/44/1350649544.db2.gz ZGXNDOCNKYAIDZ-UHFFFAOYSA-N -1 1 333.417 2.031 20 0 EEADMM CC(C)C[C@@]1(C)CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603264271 1350674705 /nfs/dbraw/zinc/67/47/05/1350674705.db2.gz ANEXJHQASQJFCY-OAHLLOKOSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)C[C@@]1(C)CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603264271 1350674712 /nfs/dbraw/zinc/67/47/12/1350674712.db2.gz ANEXJHQASQJFCY-OAHLLOKOSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cn1 ZINC001603287998 1350679850 /nfs/dbraw/zinc/67/98/50/1350679850.db2.gz HTAITCDAGPMZEY-UHFFFAOYSA-N -1 1 341.350 2.099 20 0 EEADMM CC(C)CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001603287998 1350679855 /nfs/dbraw/zinc/67/98/55/1350679855.db2.gz HTAITCDAGPMZEY-UHFFFAOYSA-N -1 1 341.350 2.099 20 0 EEADMM CC(C)(C)OC(=O)NCC12CC(C1)CN2[C@@H](C(=O)[O-])c1cccnc1 ZINC001603454283 1350707330 /nfs/dbraw/zinc/70/73/30/1350707330.db2.gz LUWMMXRPGBIFOZ-HZEYSBKDSA-N -1 1 347.415 2.196 20 0 EEADMM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(-c2nnn[n-]2)o1 ZINC001603885047 1350792495 /nfs/dbraw/zinc/79/24/95/1350792495.db2.gz VRKCJLZWTDHFAW-QWRGUYRKSA-N -1 1 335.433 2.482 20 0 EEADMM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(-c2nn[n-]n2)o1 ZINC001603885047 1350792500 /nfs/dbraw/zinc/79/25/00/1350792500.db2.gz VRKCJLZWTDHFAW-QWRGUYRKSA-N -1 1 335.433 2.482 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)N1CCC(C)CC1 ZINC001603900620 1350797917 /nfs/dbraw/zinc/79/79/17/1350797917.db2.gz KGPMVARPQPQJOO-LLVKDONJSA-N -1 1 332.433 2.001 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)N1CCC(C)CC1 ZINC001603900620 1350797919 /nfs/dbraw/zinc/79/79/19/1350797919.db2.gz KGPMVARPQPQJOO-LLVKDONJSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)OCc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC001603926155 1350802893 /nfs/dbraw/zinc/80/28/93/1350802893.db2.gz ZIBNVJBHEJAOKH-HNNXBMFYSA-N -1 1 348.443 2.233 20 0 EEADMM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001603945518 1350810795 /nfs/dbraw/zinc/81/07/95/1350810795.db2.gz MGAXSIVBMAFHJQ-XVKPBYJWSA-N -1 1 333.339 2.080 20 0 EEADMM C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603965916 1350816104 /nfs/dbraw/zinc/81/61/04/1350816104.db2.gz XUHAIZROZNYBER-IZRRHEBBSA-N -1 1 349.464 2.293 20 0 EEADMM CC[C@@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1c(C)noc1C ZINC001603980110 1350818823 /nfs/dbraw/zinc/81/88/23/1350818823.db2.gz LJFLUWNEZHUUBL-GFCCVEGCSA-N -1 1 342.359 2.104 20 0 EEADMM CC[C@@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1c(C)noc1C ZINC001603980110 1350818827 /nfs/dbraw/zinc/81/88/27/1350818827.db2.gz LJFLUWNEZHUUBL-GFCCVEGCSA-N -1 1 342.359 2.104 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)CC(F)(F)F ZINC001604033695 1350835422 /nfs/dbraw/zinc/83/54/22/1350835422.db2.gz GOTAKEJFZUOVPN-MRVPVSSYSA-N -1 1 331.298 2.477 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)CC(F)(F)F ZINC001604033695 1350835425 /nfs/dbraw/zinc/83/54/25/1350835425.db2.gz GOTAKEJFZUOVPN-MRVPVSSYSA-N -1 1 331.298 2.477 20 0 EEADMM CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cn1 ZINC001604069987 1350846560 /nfs/dbraw/zinc/84/65/60/1350846560.db2.gz BIQCDIYSJOSYLX-ZDUSSCGKSA-N -1 1 328.307 2.104 20 0 EEADMM CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cn1 ZINC001604069987 1350846562 /nfs/dbraw/zinc/84/65/62/1350846562.db2.gz BIQCDIYSJOSYLX-ZDUSSCGKSA-N -1 1 328.307 2.104 20 0 EEADMM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001604162789 1350880038 /nfs/dbraw/zinc/88/00/38/1350880038.db2.gz JGBGHAZSXGESCQ-JTQLQIEISA-N -1 1 341.412 2.205 20 0 EEADMM C[C@H](CN(Cc1cnc2n1CCOC2)Cc1ccccc1)C(=O)[O-] ZINC001604165451 1350880569 /nfs/dbraw/zinc/88/05/69/1350880569.db2.gz DTKKFDQCMANXCP-CQSZACIVSA-N -1 1 329.400 2.136 20 0 EEADMM CCCCCCO[C@@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001604177009 1350883985 /nfs/dbraw/zinc/88/39/85/1350883985.db2.gz BNAZUQPDGKENSV-LBPRGKRZSA-N -1 1 332.408 2.210 20 0 EEADMM CCCCCCO[C@@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001604177009 1350883991 /nfs/dbraw/zinc/88/39/91/1350883991.db2.gz BNAZUQPDGKENSV-LBPRGKRZSA-N -1 1 332.408 2.210 20 0 EEADMM CCCCO[C@H]1C[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001604188127 1350888641 /nfs/dbraw/zinc/88/86/41/1350888641.db2.gz XGYHHQFYEVUAPU-RYUDHWBXSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001604188075 1350888843 /nfs/dbraw/zinc/88/88/43/1350888843.db2.gz WWQMYVVXBCZIAL-OLZOCXBDSA-N -1 1 333.392 2.173 20 0 EEADMM CCCCO[C@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001604188075 1350888847 /nfs/dbraw/zinc/88/88/47/1350888847.db2.gz WWQMYVVXBCZIAL-OLZOCXBDSA-N -1 1 333.392 2.173 20 0 EEADMM CCCN(C(=O)Cc1ccco1)c1snc(C)c1-c1nnn[n-]1 ZINC001604196398 1350890977 /nfs/dbraw/zinc/89/09/77/1350890977.db2.gz VGLPTPHRCNBASS-UHFFFAOYSA-N -1 1 332.389 2.210 20 0 EEADMM CCCN(C(=O)Cc1ccco1)c1snc(C)c1-c1nn[n-]n1 ZINC001604196398 1350890980 /nfs/dbraw/zinc/89/09/80/1350890980.db2.gz VGLPTPHRCNBASS-UHFFFAOYSA-N -1 1 332.389 2.210 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@@H]1CCCC[C@@H]1C ZINC001604263799 1350905259 /nfs/dbraw/zinc/90/52/59/1350905259.db2.gz KWXDZFPYASSSHB-GXFFZTMASA-N -1 1 344.419 2.317 20 0 EEADMM CCN1C(=O)CCc2cc(Nc3cccc(-c4nnn[n-]4)n3)ccc21 ZINC001604334538 1350918413 /nfs/dbraw/zinc/91/84/13/1350918413.db2.gz HRERPFJBPJRDOA-UHFFFAOYSA-N -1 1 335.371 2.304 20 0 EEADMM CCN1C(=O)CCc2cc(Nc3cccc(-c4nn[n-]n4)n3)ccc21 ZINC001604334538 1350918415 /nfs/dbraw/zinc/91/84/15/1350918415.db2.gz HRERPFJBPJRDOA-UHFFFAOYSA-N -1 1 335.371 2.304 20 0 EEADMM CCOC(=O)c1cccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001604387915 1350927357 /nfs/dbraw/zinc/92/73/57/1350927357.db2.gz BWGQEAWWIUHHNL-UHFFFAOYSA-N -1 1 342.311 2.164 20 0 EEADMM CCOC(=O)c1cccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001604387915 1350927359 /nfs/dbraw/zinc/92/73/59/1350927359.db2.gz BWGQEAWWIUHHNL-UHFFFAOYSA-N -1 1 342.311 2.164 20 0 EEADMM CCOc1cncc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001604470149 1350944715 /nfs/dbraw/zinc/94/47/15/1350944715.db2.gz PUOVZZUQJQZYDL-WEVVVXLNSA-N -1 1 339.359 2.025 20 0 EEADMM CCc1ccccc1CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001604533001 1350956586 /nfs/dbraw/zinc/95/65/86/1350956586.db2.gz JKZIKICEDUDYKG-UHFFFAOYSA-N -1 1 328.401 2.375 20 0 EEADMM CCc1ccccc1CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604533001 1350956587 /nfs/dbraw/zinc/95/65/87/1350956587.db2.gz JKZIKICEDUDYKG-UHFFFAOYSA-N -1 1 328.401 2.375 20 0 EEADMM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604730654 1350993313 /nfs/dbraw/zinc/99/33/13/1350993313.db2.gz SKCSYALAGVWJSP-NEPJUHHUSA-N -1 1 337.445 2.032 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1cnc(-c2nnn[n-]2)cn1 ZINC001604756243 1350997387 /nfs/dbraw/zinc/99/73/87/1350997387.db2.gz QWNFHKHKHVLTSS-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1cnc(-c2nn[n-]n2)cn1 ZINC001604756243 1350997391 /nfs/dbraw/zinc/99/73/91/1350997391.db2.gz QWNFHKHKHVLTSS-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM C[C@@H]1CN(C(=O)c2cnn(C3CCCCC3)c2)CCN1CCC(=O)[O-] ZINC001604783007 1351002013 /nfs/dbraw/zinc/00/20/13/1351002013.db2.gz IRDHIOKNFOZQJX-CQSZACIVSA-N -1 1 348.447 2.009 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001604792864 1351005128 /nfs/dbraw/zinc/00/51/28/1351005128.db2.gz HRTOJHYTVHCSQR-JTQLQIEISA-N -1 1 344.333 2.384 20 0 EEADMM COC(=O)c1ccc(Cl)cc1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604972031 1351042128 /nfs/dbraw/zinc/04/21/28/1351042128.db2.gz GRSZJPFHEQWZEB-UHFFFAOYSA-N -1 1 348.702 2.119 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1Cl ZINC001604985669 1351046624 /nfs/dbraw/zinc/04/66/24/1351046624.db2.gz VNECKLKRZSPTOP-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1Cl ZINC001604985669 1351046626 /nfs/dbraw/zinc/04/66/26/1351046626.db2.gz VNECKLKRZSPTOP-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1coc([C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001604989842 1351047314 /nfs/dbraw/zinc/04/73/14/1351047314.db2.gz VQNHEUDOKRCKIU-MRVPVSSYSA-N -1 1 346.299 2.066 20 0 EEADMM COC(=O)c1coc([C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001604989842 1351047316 /nfs/dbraw/zinc/04/73/16/1351047316.db2.gz VQNHEUDOKRCKIU-MRVPVSSYSA-N -1 1 346.299 2.066 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001605021838 1351058072 /nfs/dbraw/zinc/05/80/72/1351058072.db2.gz VDIUGBYCPYRNDL-ZEGGKSINSA-N -1 1 329.408 2.006 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001605021838 1351058075 /nfs/dbraw/zinc/05/80/75/1351058075.db2.gz VDIUGBYCPYRNDL-ZEGGKSINSA-N -1 1 329.408 2.006 20 0 EEADMM COC1CCC(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001605026590 1351059416 /nfs/dbraw/zinc/05/94/16/1351059416.db2.gz MDYOYQQPTZVYFC-UHFFFAOYSA-N -1 1 342.812 2.120 20 0 EEADMM COC1CCC(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001605027396 1351059453 /nfs/dbraw/zinc/05/94/53/1351059453.db2.gz YHWLQTNYRUVPRI-UHFFFAOYSA-N -1 1 335.433 2.140 20 0 EEADMM CC[C@@H](N[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1OC ZINC001605089961 1351075835 /nfs/dbraw/zinc/07/58/35/1351075835.db2.gz OROGEAJSCQSFDH-XJKSGUPXSA-N -1 1 348.443 2.448 20 0 EEADMM COc1ccc2c(c1NC(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001605309308 1351132636 /nfs/dbraw/zinc/13/26/36/1351132636.db2.gz OUIPTZSEWATSCY-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM COc1ccc2c(c1NC(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001605309308 1351132638 /nfs/dbraw/zinc/13/26/38/1351132638.db2.gz OUIPTZSEWATSCY-UHFFFAOYSA-N -1 1 336.355 2.011 20 0 EEADMM CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001605337208 1351140114 /nfs/dbraw/zinc/14/01/14/1351140114.db2.gz JVZRORXEJYSXTE-RHSMWYFYSA-N -1 1 348.443 2.024 20 0 EEADMM COc1ncc(NC(=O)N[C@H](C)c2ccsc2)cc1-c1nn[n-]n1 ZINC001605346496 1351142188 /nfs/dbraw/zinc/14/21/88/1351142188.db2.gz DKJXLCRUBDIBQC-MRVPVSSYSA-N -1 1 345.388 2.215 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)cc1-c1nn[n-]n1 ZINC001605347064 1351142466 /nfs/dbraw/zinc/14/24/66/1351142466.db2.gz MQMAQDPMVBACQQ-GHMZBOCLSA-N -1 1 345.407 2.361 20 0 EEADMM CCCc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(C)n1 ZINC001605373417 1351147685 /nfs/dbraw/zinc/14/76/85/1351147685.db2.gz VONUHKMPEZRQIC-UHFFFAOYSA-N -1 1 341.389 2.081 20 0 EEADMM CCCN1C(=O)N=NC1SCc1cn2cccc(C(=O)[O-])c2n1 ZINC001605384783 1351150370 /nfs/dbraw/zinc/15/03/70/1351150370.db2.gz CWKNDQGSQDQFFZ-UHFFFAOYSA-N -1 1 333.373 2.032 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1cc(-c2nnn[n-]2)ncn1 ZINC001605457211 1351162937 /nfs/dbraw/zinc/16/29/37/1351162937.db2.gz YRBBFSYCIJXQCL-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1cc(-c2nn[n-]n2)ncn1 ZINC001605457211 1351162939 /nfs/dbraw/zinc/16/29/39/1351162939.db2.gz YRBBFSYCIJXQCL-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc3c(s2)CCCC3)nn1C ZINC001605465809 1351164116 /nfs/dbraw/zinc/16/41/16/1351164116.db2.gz QNIZIDCGCQQLNC-UHFFFAOYSA-N -1 1 343.416 2.101 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc3c(s2)CCCC3)nn1C ZINC001605465809 1351164118 /nfs/dbraw/zinc/16/41/18/1351164118.db2.gz QNIZIDCGCQQLNC-UHFFFAOYSA-N -1 1 343.416 2.101 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC001605555026 1351189761 /nfs/dbraw/zinc/18/97/61/1351189761.db2.gz ZKRPRYZPHQGNHG-SECBINFHSA-N -1 1 331.330 2.441 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC001605555026 1351189765 /nfs/dbraw/zinc/18/97/65/1351189765.db2.gz ZKRPRYZPHQGNHG-SECBINFHSA-N -1 1 331.330 2.441 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001605681390 1351215291 /nfs/dbraw/zinc/21/52/91/1351215291.db2.gz NVICNYMGBHWBFE-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001605681390 1351215292 /nfs/dbraw/zinc/21/52/92/1351215292.db2.gz NVICNYMGBHWBFE-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(NCC(=O)Nc2c(C)cccc2C)cc(-c2nnn[n-]2)n1 ZINC001605723178 1351217921 /nfs/dbraw/zinc/21/79/21/1351217921.db2.gz HSDQSFPVWHZGEH-UHFFFAOYSA-N -1 1 337.387 2.238 20 0 EEADMM Cc1cc(NCC(=O)Nc2c(C)cccc2C)cc(-c2nn[n-]n2)n1 ZINC001605723178 1351217924 /nfs/dbraw/zinc/21/79/24/1351217924.db2.gz HSDQSFPVWHZGEH-UHFFFAOYSA-N -1 1 337.387 2.238 20 0 EEADMM Cc1[nH]nc(NC(=O)C2(c3ccc(C)cc3)CCC2)c1-c1nn[n-]n1 ZINC001605832026 1351231448 /nfs/dbraw/zinc/23/14/48/1351231448.db2.gz MAUCUQPQMNFOBP-UHFFFAOYSA-N -1 1 337.387 2.267 20 0 EEADMM Cc1[nH]nc(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1-c1nn[n-]n1 ZINC001605887053 1351246777 /nfs/dbraw/zinc/24/67/77/1351246777.db2.gz BUUSMGLMPABENX-UHFFFAOYSA-N -1 1 336.359 2.249 20 0 EEADMM Cc1nc(C)c(CC(=O)OCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001606036997 1351265747 /nfs/dbraw/zinc/26/57/47/1351265747.db2.gz BWEMUNSQNKDXAQ-UHFFFAOYSA-N -1 1 335.414 2.287 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001606139471 1351278069 /nfs/dbraw/zinc/27/80/69/1351278069.db2.gz MKXYMVQKAYLGID-ZETCQYMHSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001606139471 1351278071 /nfs/dbraw/zinc/27/80/71/1351278071.db2.gz MKXYMVQKAYLGID-ZETCQYMHSA-N -1 1 328.348 2.030 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1c(F)cccc1Cl ZINC001606169337 1351280546 /nfs/dbraw/zinc/28/05/46/1351280546.db2.gz UDCYOHOLMYCLJW-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1c(F)cccc1Cl ZINC001606169337 1351280547 /nfs/dbraw/zinc/28/05/47/1351280547.db2.gz UDCYOHOLMYCLJW-UHFFFAOYSA-N -1 1 335.726 2.491 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001606168537 1351280975 /nfs/dbraw/zinc/28/09/75/1351280975.db2.gz RLAVTPYAQLOHMK-UHFFFAOYSA-N -1 1 342.399 2.071 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC001606180078 1351282299 /nfs/dbraw/zinc/28/22/99/1351282299.db2.gz YBNMJPYQYLUGKK-WDEREUQCSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001606180078 1351282303 /nfs/dbraw/zinc/28/23/03/1351282303.db2.gz YBNMJPYQYLUGKK-WDEREUQCSA-N -1 1 332.408 2.037 20 0 EEADMM FC(F)(F)c1cc(NCCc2nccs2)nc(-c2nnn[n-]2)c1 ZINC001606291891 1351289167 /nfs/dbraw/zinc/28/91/67/1351289167.db2.gz IGSRUSZCUDKNNF-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM FC(F)(F)c1cc(NCCc2nccs2)nc(-c2nn[n-]n2)c1 ZINC001606291891 1351289172 /nfs/dbraw/zinc/28/91/72/1351289172.db2.gz IGSRUSZCUDKNNF-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM O=C(CSc1cccc(-c2nnn[n-]2)n1)Nc1ccc(F)cc1 ZINC001606585248 1351326597 /nfs/dbraw/zinc/32/65/97/1351326597.db2.gz XQZYVGNOTUSRNW-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(CSc1cccc(-c2nn[n-]n2)n1)Nc1ccc(F)cc1 ZINC001606585248 1351326602 /nfs/dbraw/zinc/32/66/02/1351326602.db2.gz XQZYVGNOTUSRNW-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM COC(CN(CCC(=O)[O-])Cc1cnc2ccc(C)cc2c1)OC ZINC001606674683 1351340720 /nfs/dbraw/zinc/34/07/20/1351340720.db2.gz NIVXMDTZZXNRSX-UHFFFAOYSA-N -1 1 332.400 2.439 20 0 EEADMM O=C(NC[C@]12C[C@H]1CCCC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606714707 1351345633 /nfs/dbraw/zinc/34/56/33/1351345633.db2.gz LKNFODXVINXDCM-PSLIRLAXSA-N -1 1 332.795 2.225 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1[C@H]2CCCCCC[C@H]12 ZINC001606842239 1351366021 /nfs/dbraw/zinc/36/60/21/1351366021.db2.gz LYGKALLMEJGXJT-STQMWFEESA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1[C@H]2CCCCCC[C@H]12 ZINC001606842239 1351366024 /nfs/dbraw/zinc/36/60/24/1351366024.db2.gz LYGKALLMEJGXJT-STQMWFEESA-N -1 1 326.404 2.094 20 0 EEADMM O=C(Nc1cccc2ccc(O)cc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001606938413 1351380685 /nfs/dbraw/zinc/38/06/85/1351380685.db2.gz TUUGEVOLGAVGSW-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(Nc1cccc2ccc(O)cc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001606938413 1351380688 /nfs/dbraw/zinc/38/06/88/1351380688.db2.gz TUUGEVOLGAVGSW-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM O=C(OC[C@H]1CC1(Cl)Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC001606965817 1351386243 /nfs/dbraw/zinc/38/62/43/1351386243.db2.gz VCVRFDGIDYEJPG-ZCFIWIBFSA-N -1 1 331.134 2.356 20 0 EEADMM O=C(OC[C@H]1CC1(Cl)Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001606965817 1351386238 /nfs/dbraw/zinc/38/62/38/1351386238.db2.gz VCVRFDGIDYEJPG-ZCFIWIBFSA-N -1 1 331.134 2.356 20 0 EEADMM O=C(OCC1CC=CC1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606965398 1351386311 /nfs/dbraw/zinc/38/63/11/1351386311.db2.gz PSXCAKCYFWHFIS-UHFFFAOYSA-N -1 1 339.277 2.404 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CCCc2sccc21 ZINC001606981687 1351391804 /nfs/dbraw/zinc/39/18/04/1351391804.db2.gz BKOGRDRRLNAEHN-LBPRGKRZSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CCCc2sccc21 ZINC001606981687 1351391807 /nfs/dbraw/zinc/39/18/07/1351391807.db2.gz BKOGRDRRLNAEHN-LBPRGKRZSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001607017078 1351398096 /nfs/dbraw/zinc/39/80/96/1351398096.db2.gz NTGYAVDPMKMKKQ-MFKMUULPSA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001607017078 1351398098 /nfs/dbraw/zinc/39/80/98/1351398098.db2.gz NTGYAVDPMKMKKQ-MFKMUULPSA-N -1 1 345.428 2.102 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC001607022331 1351399913 /nfs/dbraw/zinc/39/99/13/1351399913.db2.gz MKYKRPJRDUCZRV-AWEZNQCLSA-N -1 1 327.363 2.411 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC001607022331 1351399917 /nfs/dbraw/zinc/39/99/17/1351399917.db2.gz MKYKRPJRDUCZRV-AWEZNQCLSA-N -1 1 327.363 2.411 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC001607026066 1351400248 /nfs/dbraw/zinc/40/02/48/1351400248.db2.gz WMTUKLQUMUJCEB-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC001607026066 1351400251 /nfs/dbraw/zinc/40/02/51/1351400251.db2.gz WMTUKLQUMUJCEB-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCC(OCC3CCCC3)CC2)c1 ZINC001607116547 1351425801 /nfs/dbraw/zinc/42/58/01/1351425801.db2.gz OUNXRSXFFIRHKJ-UHFFFAOYSA-N -1 1 328.420 2.437 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCC(OCC3CCCC3)CC2)c1 ZINC001607116547 1351425805 /nfs/dbraw/zinc/42/58/05/1351425805.db2.gz OUNXRSXFFIRHKJ-UHFFFAOYSA-N -1 1 328.420 2.437 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001607127134 1351430518 /nfs/dbraw/zinc/43/05/18/1351430518.db2.gz SSQQWMWFBIBKAN-BBRMVZONSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607127134 1351430520 /nfs/dbraw/zinc/43/05/20/1351430520.db2.gz SSQQWMWFBIBKAN-BBRMVZONSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607129890 1351432120 /nfs/dbraw/zinc/43/21/20/1351432120.db2.gz WMMZMZBLBKSFLB-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001607129890 1351432121 /nfs/dbraw/zinc/43/21/21/1351432121.db2.gz WMMZMZBLBKSFLB-CJNGLKHVSA-N -1 1 337.387 2.237 20 0 EEADMM c1oc(-c2nnn[n-]2)cc1-c1nc([C@@H]2CCOC3(CCC3)C2)no1 ZINC001607138005 1351436228 /nfs/dbraw/zinc/43/62/28/1351436228.db2.gz MGYSPIUKAXFHDI-SECBINFHSA-N -1 1 328.332 2.326 20 0 EEADMM c1oc(-c2nn[n-]n2)cc1-c1nc([C@@H]2CCOC3(CCC3)C2)no1 ZINC001607138005 1351436229 /nfs/dbraw/zinc/43/62/29/1351436229.db2.gz MGYSPIUKAXFHDI-SECBINFHSA-N -1 1 328.332 2.326 20 0 EEADMM COc1ccc(CN(CCCO)Cc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001607251154 1351458684 /nfs/dbraw/zinc/45/86/84/1351458684.db2.gz YLTFBLCOWDKMSL-UHFFFAOYSA-N -1 1 332.400 2.415 20 0 EEADMM C[C@H]1CN(C(=O)NC[C@H]2CCN2Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001607469956 1351498929 /nfs/dbraw/zinc/49/89/29/1351498929.db2.gz IHUXEPJPIKBICH-GMBSWORKSA-N -1 1 345.443 2.013 20 0 EEADMM Cc1cc(CCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n[nH]1 ZINC001607638215 1351530857 /nfs/dbraw/zinc/53/08/57/1351530857.db2.gz ODDQGCQKIRUGGK-CYBMUJFWSA-N -1 1 329.400 2.400 20 0 EEADMM Cc1cc(Cl)ncc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001607656760 1351534321 /nfs/dbraw/zinc/53/43/21/1351534321.db2.gz GYJKILSROOKUCN-UHFFFAOYSA-N -1 1 341.776 2.246 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCN1C1CCCC1 ZINC001607700963 1351542413 /nfs/dbraw/zinc/54/24/13/1351542413.db2.gz GPNOMEKUXRLJJI-MRXNPFEDSA-N -1 1 332.400 2.414 20 0 EEADMM Cc1ccc2sc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc2c1 ZINC001607835709 1351568404 /nfs/dbraw/zinc/56/84/04/1351568404.db2.gz VCKVQLVIMMNUDW-LBPRGKRZSA-N -1 1 329.381 2.359 20 0 EEADMM Cc1ccsc1CNC(=O)CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001607900082 1351582043 /nfs/dbraw/zinc/58/20/43/1351582043.db2.gz ZRUNPAQSMCCGGD-QGZVFWFLSA-N -1 1 347.440 2.047 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)[O-])c2[nH]1 ZINC001607968995 1351594966 /nfs/dbraw/zinc/59/49/66/1351594966.db2.gz KVUPBKVFUFAZEX-OAHLLOKOSA-N -1 1 341.342 2.436 20 0 EEADMM Cn1c(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cnc1Cl ZINC001608086767 1351622262 /nfs/dbraw/zinc/62/22/62/1351622262.db2.gz GFAZPOJMQQMEDZ-UONOGXRCSA-N -1 1 335.791 2.079 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NCC(=O)NC1CCCCC1 ZINC001608339376 1351674092 /nfs/dbraw/zinc/67/40/92/1351674092.db2.gz UIWUQIRBOIRUNV-OAHLLOKOSA-N -1 1 338.835 2.374 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(-c2nc(C)no2)nc1 ZINC001624454480 1352422038 /nfs/dbraw/zinc/42/20/38/1352422038.db2.gz RUPDRWKENMFUJG-UHFFFAOYSA-N -1 1 326.312 2.407 20 0 EEADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001627165270 1352485381 /nfs/dbraw/zinc/48/53/81/1352485381.db2.gz YGDUUWSLTPFFPK-UHFFFAOYSA-N -1 1 326.360 2.450 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000042897286 1352541618 /nfs/dbraw/zinc/54/16/18/1352541618.db2.gz UNJXJHJNCONIRO-UHFFFAOYSA-N -1 1 332.834 2.462 20 0 EEADMM CN(C)C(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000057123056 1352726060 /nfs/dbraw/zinc/72/60/60/1352726060.db2.gz KRBQXISLECCPQK-UHFFFAOYSA-N -1 1 336.388 2.257 20 0 EEADMM CO[C@](C)(C(=O)OCC(=O)c1ccc([O-])cc1O)c1ccccc1 ZINC001645549520 1352785298 /nfs/dbraw/zinc/78/52/98/1352785298.db2.gz PKGFPNUSEKXPNK-SFHVURJKSA-N -1 1 330.336 2.386 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC001647128973 1353155111 /nfs/dbraw/zinc/15/51/11/1353155111.db2.gz VPOWSPBCWQBGQE-GFWSLJDESA-N -1 1 349.399 2.311 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCc1scnc1C ZINC001647215393 1353190655 /nfs/dbraw/zinc/19/06/55/1353190655.db2.gz UQYIYPHPYUHELQ-UHFFFAOYSA-N -1 1 348.396 2.259 20 0 EEADMM COCCc1ncc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC001647409607 1353267062 /nfs/dbraw/zinc/26/70/62/1353267062.db2.gz KFUSHZWRPNTHBX-GFCCVEGCSA-N -1 1 338.351 2.171 20 0 EEADMM O=C(N[C@@H]1CN2CCC1CC2)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001647609927 1353345667 /nfs/dbraw/zinc/34/56/67/1353345667.db2.gz OEFOCCXRZCLQHA-CQSZACIVSA-N -1 1 346.818 2.055 20 0 EEADMM O=C(CCc1cncnc1)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001654506584 1354150311 /nfs/dbraw/zinc/15/03/11/1354150311.db2.gz RATMYHUAAWFEQR-UHFFFAOYSA-N -1 1 344.762 2.192 20 0 EEADMM O=C(CCc1cncnc1)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001654506584 1354150313 /nfs/dbraw/zinc/15/03/13/1354150313.db2.gz RATMYHUAAWFEQR-UHFFFAOYSA-N -1 1 344.762 2.192 20 0 EEADMM Cc1nccnc1CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001663564145 1354987464 /nfs/dbraw/zinc/98/74/64/1354987464.db2.gz AREYTDXKEUQNST-UHFFFAOYSA-N -1 1 335.360 2.191 20 0 EEADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346096263 1368138339 /nfs/dbraw/zinc/13/83/39/1368138339.db2.gz BOHIMQBQTXWKMY-SWLSCSKDSA-N -1 1 345.403 2.313 20 0 EEADMM COc1ccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)cc1F ZINC000346124621 1368138421 /nfs/dbraw/zinc/13/84/21/1368138421.db2.gz XPSIKUIAHDNXCO-UHFFFAOYSA-N -1 1 343.318 2.179 20 0 EEADMM COc1nc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)ccc1F ZINC001190063428 1368390536 /nfs/dbraw/zinc/39/05/36/1368390536.db2.gz OAQLZBUWXZKJFL-UHFFFAOYSA-N -1 1 335.719 2.218 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO[C@@H]1C1CC1 ZINC000867117464 1368522245 /nfs/dbraw/zinc/52/22/45/1368522245.db2.gz FCTRUUDBKXERFS-TZMCWYRMSA-N -1 1 348.827 2.358 20 0 EEADMM CC(C)(F)CCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852552431 1369281051 /nfs/dbraw/zinc/28/10/51/1369281051.db2.gz UXKLDGHIIZGVSO-JTQLQIEISA-N -1 1 341.349 2.225 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952046 1370585376 /nfs/dbraw/zinc/58/53/76/1370585376.db2.gz HBOGRRWWXKKIFX-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM O=C(CCCC1CCCCC1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001389469351 1388138885 /nfs/dbraw/zinc/13/88/85/1388138885.db2.gz CXYRTOBHVYHDOK-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM COC(=O)c1ccc(C(=O)OCCNc2ncnc3ccccc32)[n-]1 ZINC000796934886 1371484721 /nfs/dbraw/zinc/48/47/21/1371484721.db2.gz QVXTWWYKXZVYTP-UHFFFAOYSA-N -1 1 340.339 2.013 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](c2ccnn2C)c2ccccc2)[n-]1 ZINC000797143817 1371508347 /nfs/dbraw/zinc/50/83/47/1371508347.db2.gz KHPBAPXPIQJDHI-MRXNPFEDSA-N -1 1 339.351 2.481 20 0 EEADMM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)c1 ZINC000798842461 1371616265 /nfs/dbraw/zinc/61/62/65/1371616265.db2.gz DDYIFDATULZXBZ-HNNXBMFYSA-N -1 1 326.462 2.201 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)/C=C\c2ccccc2)C1 ZINC000830840740 1372351848 /nfs/dbraw/zinc/35/18/48/1372351848.db2.gz LQUIGDRRELSFSZ-ZPIQOJFGSA-N -1 1 326.318 2.369 20 0 EEADMM O=C(Cc1cccc(C2CC2)c1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831121270 1372365011 /nfs/dbraw/zinc/36/50/11/1372365011.db2.gz JHQZHRLHHWKDIQ-UHFFFAOYSA-N -1 1 340.345 2.243 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1nn[n-]n1 ZINC001345186132 1372968849 /nfs/dbraw/zinc/96/88/49/1372968849.db2.gz PTKDILJISSFTBY-ZDUSSCGKSA-N -1 1 349.464 2.190 20 0 EEADMM CC1(C)C[C@@](C)(NC(=O)c2ccc(Br)cc2[O-])C(=O)O1 ZINC000848149106 1373091168 /nfs/dbraw/zinc/09/11/68/1373091168.db2.gz CBZAPEBVWUVFAZ-CQSZACIVSA-N -1 1 342.189 2.369 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c(=O)[n-]1 ZINC001362125425 1373368513 /nfs/dbraw/zinc/36/85/13/1373368513.db2.gz CHPMOEODCVEGAU-GFCCVEGCSA-N -1 1 347.396 2.324 20 0 EEADMM O=C(c1cc(Cl)ccc1[O-])N1CCNC(=O)[C@H]1c1cccs1 ZINC001362344236 1373395779 /nfs/dbraw/zinc/39/57/79/1373395779.db2.gz CMVLNAQIEKYSQB-CYBMUJFWSA-N -1 1 336.800 2.420 20 0 EEADMM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1cccc([O-])c1F ZINC001362474259 1373419852 /nfs/dbraw/zinc/41/98/52/1373419852.db2.gz DGIAXHMILBANOE-UHFFFAOYSA-N -1 1 341.335 2.467 20 0 EEADMM CCO[C@@H](CNC(=O)c1cnc(SC)[n-]c1=O)c1ccccc1 ZINC001363102948 1373484076 /nfs/dbraw/zinc/48/40/76/1373484076.db2.gz NAULWNUHAWDYOW-ZDUSSCGKSA-N -1 1 333.413 2.412 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCc2ccc(F)cc2F)c1 ZINC001363769263 1373551144 /nfs/dbraw/zinc/55/11/44/1373551144.db2.gz ZAUCLVFGVDFPKM-UHFFFAOYSA-N -1 1 343.351 2.200 20 0 EEADMM CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)c1ccc([O-])cc1 ZINC001363768359 1373551616 /nfs/dbraw/zinc/55/16/16/1373551616.db2.gz ZCKHZGIFRFKMIT-UHFFFAOYSA-N -1 1 348.380 2.348 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1noc(C)n1 ZINC001365134140 1373674940 /nfs/dbraw/zinc/67/49/40/1373674940.db2.gz UEDWZZTWQDWVMC-SNVBAGLBSA-N -1 1 345.808 2.470 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001371102180 1375226582 /nfs/dbraw/zinc/22/65/82/1375226582.db2.gz KTYHOQWRNOOVHP-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372252032 1375885352 /nfs/dbraw/zinc/88/53/52/1375885352.db2.gz SWJZFCGDIHZZHC-SJKOYZFVSA-N -1 1 337.395 2.036 20 0 EEADMM CCC1(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])CCCCC1 ZINC001372834342 1376235625 /nfs/dbraw/zinc/23/56/25/1376235625.db2.gz MCPCZWBMXJVRHH-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)CC(C)C ZINC001375060108 1377329039 /nfs/dbraw/zinc/32/90/39/1377329039.db2.gz NPQKBZWBEYUQHN-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@]1(CNC(=O)CC2CCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380007089 1380993944 /nfs/dbraw/zinc/99/39/44/1380993944.db2.gz DXVUNOLDQASMHM-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)CCC1 ZINC001382646212 1382164004 /nfs/dbraw/zinc/16/40/04/1382164004.db2.gz GAKYYTPMFINYKQ-KBPBESRZSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1occc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001383527423 1382535124 /nfs/dbraw/zinc/53/51/24/1382535124.db2.gz COVZHPIRUHCEAG-GHMZBOCLSA-N -1 1 331.372 2.016 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCc1ccoc1 ZINC001383589373 1382580550 /nfs/dbraw/zinc/58/05/50/1382580550.db2.gz XXMKNTSQEPYNSL-STQMWFEESA-N -1 1 345.399 2.026 20 0 EEADMM CC(C)(C)C(=O)NCCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001390904042 1388863330 /nfs/dbraw/zinc/86/33/30/1388863330.db2.gz WOOAFKRXVDWUBN-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385787139 1385843054 /nfs/dbraw/zinc/84/30/54/1385843054.db2.gz QMNJLQOSQVXZOY-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM CCC[C@H](CC)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385864805 1385877854 /nfs/dbraw/zinc/87/78/54/1385877854.db2.gz HJMRCLWDHSNCOZ-GXTWGEPZSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385866642 1385879307 /nfs/dbraw/zinc/87/93/07/1385879307.db2.gz TVSRKXJIEKKWRS-UKRRQHHQSA-N -1 1 347.459 2.484 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)CCC(C)(C)C ZINC001386239735 1386028972 /nfs/dbraw/zinc/02/89/72/1386028972.db2.gz NISOMUWNSOLTMT-STQMWFEESA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccccc1 ZINC001386670605 1386250466 /nfs/dbraw/zinc/25/04/66/1386250466.db2.gz WLWRGKLRAKMBKC-ZIAGYGMSSA-N -1 1 341.411 2.216 20 0 EEADMM CC[C@H](C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219064 1386577059 /nfs/dbraw/zinc/57/70/59/1386577059.db2.gz CNHMYNPAJGHUGU-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387827796 1387026384 /nfs/dbraw/zinc/02/63/84/1387026384.db2.gz PPZCFGBKBBSHCF-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001391806095 1389617363 /nfs/dbraw/zinc/61/73/63/1389617363.db2.gz GXWAHQAXHFBDGV-ZIAGYGMSSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1occc1C(C)C ZINC001392157163 1389850058 /nfs/dbraw/zinc/85/00/58/1389850058.db2.gz DSYPWFHOAUSTHF-GFCCVEGCSA-N -1 1 349.435 2.161 20 0 EEADMM Cc1cnc([C@H](C)NCC(C)(C)CN(C)C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001394016838 1390586108 /nfs/dbraw/zinc/58/61/08/1390586108.db2.gz LYDABVGRPLCAQU-LBPRGKRZSA-N -1 1 349.435 2.169 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H](C)c1ccsc1 ZINC001395072184 1390781568 /nfs/dbraw/zinc/78/15/68/1390781568.db2.gz ZHYBTKGGSANAAJ-RYUDHWBXSA-N -1 1 347.440 2.229 20 0 EEADMM O=C(CCC1CCCCCC1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001398635009 1394132318 /nfs/dbraw/zinc/13/23/18/1394132318.db2.gz KULGDGIEBIPSLJ-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM CCC[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001399476006 1395137926 /nfs/dbraw/zinc/13/79/26/1395137926.db2.gz OMCYBRNCRSURLV-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM CC[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001399691830 1395409861 /nfs/dbraw/zinc/40/98/61/1395409861.db2.gz HSDIKKLDLHNWQB-AWEZNQCLSA-N -1 1 335.448 2.390 20 0 EEADMM CCN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001402893149 1398260794 /nfs/dbraw/zinc/26/07/94/1398260794.db2.gz UOSKBVNHGJLSPJ-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1ccncc1Cl ZINC000362601497 1407069837 /nfs/dbraw/zinc/06/98/37/1407069837.db2.gz UMDOJKUSEILJSG-UHFFFAOYSA-N -1 1 330.735 2.079 20 0 EEADMM CCCC1(C(=O)N[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C)CC1 ZINC001425683843 1401732200 /nfs/dbraw/zinc/73/22/00/1401732200.db2.gz HFGFOKMHOOOXRT-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CC1(C)CC1 ZINC001431988453 1403177657 /nfs/dbraw/zinc/17/76/57/1403177657.db2.gz NYHKNYYNOXLXRO-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1 ZINC001433008463 1403347765 /nfs/dbraw/zinc/34/77/65/1403347765.db2.gz HETNLVCRGCLRMZ-HNNXBMFYSA-N -1 1 341.411 2.362 20 0 EEADMM CCC1(C(=O)N[C@H]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001433643627 1403419142 /nfs/dbraw/zinc/41/91/42/1403419142.db2.gz BEBMMCKNFKIVHR-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NCC1(NC(=O)C2=CCCCCC2)CC1)c1ncccc1[O-] ZINC001433865079 1403440331 /nfs/dbraw/zinc/44/03/31/1403440331.db2.gz JFLBYPBEVBVEMQ-UHFFFAOYSA-N -1 1 329.400 2.056 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001434035356 1403456024 /nfs/dbraw/zinc/45/60/24/1403456024.db2.gz WITDIZDCJWZWDP-LJQANCHMSA-N -1 1 345.443 2.288 20 0 EEADMM CCCC(=O)N[C@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577210203 1403625840 /nfs/dbraw/zinc/62/58/40/1403625840.db2.gz DHMDJQLLRBMCED-WDEREUQCSA-N -1 1 349.464 2.271 20 0 EEADMM CCCCO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001577514339 1403661324 /nfs/dbraw/zinc/66/13/24/1403661324.db2.gz HFKYQOGOXBBGMI-OLZOCXBDSA-N -1 1 331.424 2.361 20 0 EEADMM CCCCO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001577514339 1403661328 /nfs/dbraw/zinc/66/13/28/1403661328.db2.gz HFKYQOGOXBBGMI-OLZOCXBDSA-N -1 1 331.424 2.361 20 0 EEADMM CCOC(OCC)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001578319648 1403736858 /nfs/dbraw/zinc/73/68/58/1403736858.db2.gz TYCAXLDQAWHWJX-LURJTMIESA-N -1 1 332.817 2.176 20 0 EEADMM CCOC(OCC)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001578319648 1403736868 /nfs/dbraw/zinc/73/68/68/1403736868.db2.gz TYCAXLDQAWHWJX-LURJTMIESA-N -1 1 332.817 2.176 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)s1 ZINC001579485268 1403783856 /nfs/dbraw/zinc/78/38/56/1403783856.db2.gz UIZWNJAMJSANQU-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)s1 ZINC001579485268 1403783863 /nfs/dbraw/zinc/78/38/63/1403783863.db2.gz UIZWNJAMJSANQU-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001579916499 1403797209 /nfs/dbraw/zinc/79/72/09/1403797209.db2.gz OKFUGNRPQHXQCG-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(C)cc(CNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001579916499 1403797216 /nfs/dbraw/zinc/79/72/16/1403797216.db2.gz OKFUGNRPQHXQCG-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001580048080 1403815754 /nfs/dbraw/zinc/81/57/54/1403815754.db2.gz DFCGSEPVCSRUNB-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001580048080 1403815772 /nfs/dbraw/zinc/81/57/72/1403815772.db2.gz DFCGSEPVCSRUNB-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COCc1sccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001591462286 1403915124 /nfs/dbraw/zinc/91/51/24/1403915124.db2.gz DGXGZTUPRJMMBW-UHFFFAOYSA-N -1 1 331.357 2.033 20 0 EEADMM COc1cc2ccccc2cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591557447 1403930039 /nfs/dbraw/zinc/93/00/39/1403930039.db2.gz SGRVKQFBAXWJSR-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1cc2ccccc2cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591557447 1403930049 /nfs/dbraw/zinc/93/00/49/1403930049.db2.gz SGRVKQFBAXWJSR-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C3CCOCC3)C2)c1 ZINC001591889660 1403969495 /nfs/dbraw/zinc/96/94/95/1403969495.db2.gz XVTRIKBFMQGOCE-CQSZACIVSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C3CCOCC3)C2)c1 ZINC001591889660 1403969499 /nfs/dbraw/zinc/96/94/99/1403969499.db2.gz XVTRIKBFMQGOCE-CQSZACIVSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)Cc2ccc(F)cc2C)n1 ZINC001591890940 1403970073 /nfs/dbraw/zinc/97/00/73/1403970073.db2.gz MHSMQZQCORJEBY-SNVBAGLBSA-N -1 1 327.367 2.456 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)Cc2ccc(F)cc2C)n1 ZINC001591890940 1403970081 /nfs/dbraw/zinc/97/00/81/1403970081.db2.gz MHSMQZQCORJEBY-SNVBAGLBSA-N -1 1 327.367 2.456 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC001591889662 1403970234 /nfs/dbraw/zinc/97/02/34/1403970234.db2.gz YBZTYBPOQRPMEY-KGLIPLIRSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC001591889662 1403970240 /nfs/dbraw/zinc/97/02/40/1403970240.db2.gz YBZTYBPOQRPMEY-KGLIPLIRSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1noc(C)c1CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001592458012 1404694224 /nfs/dbraw/zinc/69/42/24/1404694224.db2.gz GOECFHGQDMDQPP-UHFFFAOYSA-N -1 1 325.785 2.236 20 0 EEADMM Cc1noc2ncnc(Sc3cccc(F)c3-c3nnn[n-]3)c12 ZINC001592463230 1404698498 /nfs/dbraw/zinc/69/84/98/1404698498.db2.gz OHTAKGRSQYHQNP-UHFFFAOYSA-N -1 1 329.320 2.397 20 0 EEADMM Cc1noc2ncnc(Sc3cccc(F)c3-c3nn[n-]n3)c12 ZINC001592463230 1404698515 /nfs/dbraw/zinc/69/85/15/1404698515.db2.gz OHTAKGRSQYHQNP-UHFFFAOYSA-N -1 1 329.320 2.397 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC001592499779 1404703470 /nfs/dbraw/zinc/70/34/70/1404703470.db2.gz QWIFZOQXBMRPIE-CYBMUJFWSA-N -1 1 343.391 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C ZINC001592499779 1404703475 /nfs/dbraw/zinc/70/34/75/1404703475.db2.gz QWIFZOQXBMRPIE-CYBMUJFWSA-N -1 1 343.391 2.019 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1c(Cl)cncc1Cl ZINC001592500010 1404704696 /nfs/dbraw/zinc/70/46/96/1404704696.db2.gz GVVNNKZOAYCOCT-UHFFFAOYSA-N -1 1 339.142 2.144 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1c(Cl)cncc1Cl ZINC001592500010 1404704702 /nfs/dbraw/zinc/70/47/02/1404704702.db2.gz GVVNNKZOAYCOCT-UHFFFAOYSA-N -1 1 339.142 2.144 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC001592500503 1404705129 /nfs/dbraw/zinc/70/51/29/1404705129.db2.gz CSMOMEZJOCCXNS-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc(-c2ccccc2)c[nH]1 ZINC001592500503 1404705135 /nfs/dbraw/zinc/70/51/35/1404705135.db2.gz CSMOMEZJOCCXNS-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(N2CCCC2)cc1 ZINC001592915259 1404728926 /nfs/dbraw/zinc/72/89/26/1404728926.db2.gz GWZBKNYDMNBNFJ-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(N2CCCC2)cc1 ZINC001592915259 1404728933 /nfs/dbraw/zinc/72/89/33/1404728933.db2.gz GWZBKNYDMNBNFJ-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(NCC[C@H]1CCC2(CCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593060858 1404739432 /nfs/dbraw/zinc/73/94/32/1404739432.db2.gz FSCRZASPJALIRL-LLVKDONJSA-N -1 1 345.378 2.227 20 0 EEADMM O=C(NCC[C@H]1CCC2(CCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593060858 1404739436 /nfs/dbraw/zinc/73/94/36/1404739436.db2.gz FSCRZASPJALIRL-LLVKDONJSA-N -1 1 345.378 2.227 20 0 EEADMM O=C(Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1)C(=O)c1ccc([O-])cc1 ZINC001593226225 1404748412 /nfs/dbraw/zinc/74/84/12/1404748412.db2.gz IGGQRFNNKCAJIO-UHFFFAOYSA-N -1 1 349.350 2.271 20 0 EEADMM Cc1ccccc1[C@]1(F)CCN(c2cc(-c3nnn[n-]3)nc(C)n2)C1 ZINC001606019493 1404756355 /nfs/dbraw/zinc/75/63/55/1404756355.db2.gz FXCGAJUVOAQWIX-KRWDZBQOSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1ccccc1[C@]1(F)CCN(c2cc(-c3nn[n-]n3)nc(C)n2)C1 ZINC001606019493 1404756356 /nfs/dbraw/zinc/75/63/56/1404756356.db2.gz FXCGAJUVOAQWIX-KRWDZBQOSA-N -1 1 339.378 2.349 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc(-c2nnn[n-]2)n1 ZINC001606064709 1404761536 /nfs/dbraw/zinc/76/15/36/1404761536.db2.gz DMBBSGOILZYIRI-GDBMZVCRSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc(-c2nn[n-]n2)n1 ZINC001606064709 1404761540 /nfs/dbraw/zinc/76/15/40/1404761540.db2.gz DMBBSGOILZYIRI-GDBMZVCRSA-N -1 1 337.387 2.297 20 0 EEADMM Clc1ccc(NC[C@H]2COc3ccccc3O2)nc1-c1nnn[n-]1 ZINC001606193776 1404776891 /nfs/dbraw/zinc/77/68/91/1404776891.db2.gz WCTSWXKZQNFBGA-VIFPVBQESA-N -1 1 344.762 2.167 20 0 EEADMM Clc1ccc(NC[C@H]2COc3ccccc3O2)nc1-c1nn[n-]n1 ZINC001606193776 1404776902 /nfs/dbraw/zinc/77/69/02/1404776902.db2.gz WCTSWXKZQNFBGA-VIFPVBQESA-N -1 1 344.762 2.167 20 0 EEADMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc4n[nH]nc4c3)c2O1 ZINC000195504914 1406131341 /nfs/dbraw/zinc/13/13/41/1406131341.db2.gz VBVCIMSNNXKSBB-UHFFFAOYSA-N -1 1 344.396 2.472 20 0 EEADMM CCC(=CC(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1)CC ZINC001756830728 1409382257 /nfs/dbraw/zinc/38/22/57/1409382257.db2.gz AZWKOFTUVKLDAL-UHFFFAOYSA-N -1 1 343.427 2.208 20 0 EEADMM CC(C(=O)NCC1(CCNC(=O)c2ncccc2[O-])CC1)=C1CCC1 ZINC001756894383 1409461927 /nfs/dbraw/zinc/46/19/27/1409461927.db2.gz NDBUFBHHQRKIMR-UHFFFAOYSA-N -1 1 343.427 2.304 20 0 EEADMM C[C@H](O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000319924027 1409855908 /nfs/dbraw/zinc/85/59/08/1409855908.db2.gz ZXLVRFRNFNBLMY-NSHDSACASA-N -1 1 335.381 2.312 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1C2CC3CC(C2)CC1C3 ZINC001771926179 1409981204 /nfs/dbraw/zinc/98/12/04/1409981204.db2.gz ZOQBPOMXFWDROI-KKQOFVEKSA-N -1 1 337.427 2.478 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cncc(Cl)n1 ZINC001069559518 1411060667 /nfs/dbraw/zinc/06/06/67/1411060667.db2.gz FKDSJBJFKDHLCP-NSHDSACASA-N -1 1 347.806 2.193 20 0 EEADMM Cc1cc(C)cc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000942389897 782321241 /nfs/dbraw/zinc/32/12/41/782321241.db2.gz CZFUAPSZZAEGGQ-OAHLLOKOSA-N -1 1 339.395 2.049 20 0 EEADMM CCC(C)(C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063164501 790287378 /nfs/dbraw/zinc/28/73/78/790287378.db2.gz HGWZLFPNEQXBIB-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM O=C(NC[C@@H]1CCC[C@H]1NC(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000946239940 790292984 /nfs/dbraw/zinc/29/29/84/790292984.db2.gz OMXSIANYPCENKR-QWHCGFSZSA-N -1 1 349.406 2.084 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCC(C)(C)C(N)=O)cc1 ZINC001167605150 760708865 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348.834 2.472 20 0 EEADMM Cc1cocc1C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980144447 773943086 /nfs/dbraw/zinc/94/30/86/773943086.db2.gz INLVSMZIJBONPQ-UHFFFAOYSA-N -1 1 343.383 2.160 20 0 EEADMM O=C(CCC1CCCC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088254766 783222274 /nfs/dbraw/zinc/22/22/74/783222274.db2.gz XCRXTSPWZSNKLU-OAHLLOKOSA-N -1 1 349.479 2.342 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1Cl ZINC000027952703 775448673 /nfs/dbraw/zinc/44/86/73/775448673.db2.gz KKUQVBKASVPDFP-UHFFFAOYSA-N -1 1 342.833 2.162 20 0 EEADMM Cc1nc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)sc1C ZINC000981026661 776401036 /nfs/dbraw/zinc/40/10/36/776401036.db2.gz ILATYRZUZGIRSV-UHFFFAOYSA-N -1 1 346.456 2.209 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060359506 790454356 /nfs/dbraw/zinc/45/43/56/790454356.db2.gz MXPAOWGVSXPGIU-RRFJBIMHSA-N -1 1 345.443 2.192 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000982088790 779049938 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345.428 2.016 20 0 EEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2 ZINC000817356914 784694667 /nfs/dbraw/zinc/69/46/67/784694667.db2.gz YJLBSQMGMVBFKF-CYBMUJFWSA-N -1 1 327.402 2.160 20 0 EEADMM CN1CC[C@@H]([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)C1=O ZINC000817437411 784784654 /nfs/dbraw/zinc/78/46/54/784784654.db2.gz QIIXNZZOCJKWQE-SNVBAGLBSA-N -1 1 337.153 2.432 20 0 EEADMM CO[C@H](C)CC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817493326 784794693 /nfs/dbraw/zinc/79/46/93/784794693.db2.gz UIHYHQDOZURDKM-ZYHUDNBSSA-N -1 1 344.333 2.048 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945870515 785001115 /nfs/dbraw/zinc/00/11/15/785001115.db2.gz QUOZMHDWSVISEV-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccnc2C)c(F)c1 ZINC000908357084 785374999 /nfs/dbraw/zinc/37/49/99/785374999.db2.gz PNRTUPZZDBBPMW-UHFFFAOYSA-N -1 1 326.368 2.498 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC000946099113 785497534 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CC[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CC1 ZINC000908746778 785685670 /nfs/dbraw/zinc/68/56/70/785685670.db2.gz DVENNGMPPRAJQE-GJZGRUSLSA-N -1 1 349.431 2.454 20 0 EEADMM CCc1cc(CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)n[nH]1 ZINC000908982316 785912938 /nfs/dbraw/zinc/91/29/38/785912938.db2.gz LGBFQXBQSLYYHC-GFCCVEGCSA-N -1 1 330.388 2.330 20 0 EEADMM C[C@H](C(=O)[O-])N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000909123059 786007057 /nfs/dbraw/zinc/00/70/57/786007057.db2.gz ULHYBPFQNOSXTE-MFKMUULPSA-N -1 1 327.812 2.057 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2ccc(CN(C)C)nc2)C(=O)[O-])cc1 ZINC000909253952 786129857 /nfs/dbraw/zinc/12/98/57/786129857.db2.gz XLJDBSNHCDGQCD-KRWDZBQOSA-N -1 1 341.411 2.050 20 0 EEADMM Cc1nc2c(cccc2C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)[nH]1 ZINC000909762230 786216856 /nfs/dbraw/zinc/21/68/56/786216856.db2.gz NINVSPJMIGRDLG-CQSZACIVSA-N -1 1 341.289 2.351 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000909747767 786225405 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20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)C2CC2)C1 ZINC000911756457 787712769 /nfs/dbraw/zinc/71/27/69/787712769.db2.gz HMDNVVBTDWQQFX-IAGOWNOFSA-N -1 1 330.428 2.093 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)C2CC2)C1 ZINC000911756457 787712774 /nfs/dbraw/zinc/71/27/74/787712774.db2.gz HMDNVVBTDWQQFX-IAGOWNOFSA-N -1 1 330.428 2.093 20 0 EEADMM CCCn1nc(C)c(C(=O)NCc2cc(=O)[n-]c(SC)n2)c1C ZINC000912250787 788078717 /nfs/dbraw/zinc/07/87/17/788078717.db2.gz QLTPHCVZIMDEOT-UHFFFAOYSA-N -1 1 335.433 2.057 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCC(O)(Cc2ccccn2)CC1 ZINC000912436469 788169707 /nfs/dbraw/zinc/16/97/07/788169707.db2.gz JWMAPEAWSUODHB-UHFFFAOYSA-N -1 1 330.359 2.136 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC000912862316 788423520 /nfs/dbraw/zinc/42/35/20/788423520.db2.gz MFWCRXYAVCBGJJ-FRRDWIJNSA-N -1 1 341.481 2.096 20 0 EEADMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000828076870 788437793 /nfs/dbraw/zinc/43/77/93/788437793.db2.gz YKPLPCRRNBPZNP-DTWKUNHWSA-N -1 1 341.260 2.464 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825233834 788527920 /nfs/dbraw/zinc/52/79/20/788527920.db2.gz SIRQSQDGRXMFIL-ZWNOBZJWSA-N -1 1 332.408 2.133 20 0 EEADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825233834 788527929 /nfs/dbraw/zinc/52/79/29/788527929.db2.gz SIRQSQDGRXMFIL-ZWNOBZJWSA-N -1 1 332.408 2.133 20 0 EEADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825247750 788534178 /nfs/dbraw/zinc/53/41/78/788534178.db2.gz HCUMHVCFUCABEJ-ZWNOBZJWSA-N -1 1 332.408 2.133 20 0 EEADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825247750 788534188 /nfs/dbraw/zinc/53/41/88/788534188.db2.gz HCUMHVCFUCABEJ-ZWNOBZJWSA-N -1 1 332.408 2.133 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2(CCc3ccccc3)CC2)CC1 ZINC000923100462 788832706 /nfs/dbraw/zinc/83/27/06/788832706.db2.gz FPWVYPWXTURNGA-MRXNPFEDSA-N -1 1 344.455 2.407 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])n[nH]2)c1 ZINC000923149396 788981740 /nfs/dbraw/zinc/98/17/40/788981740.db2.gz FJHUAIWNUDCMCQ-XIKOKIGWSA-N -1 1 341.367 2.165 20 0 EEADMM CC1CCN(c2cccc(NC(=O)Cc3sc(N)nc3[O-])c2)CC1 ZINC000080417328 789119005 /nfs/dbraw/zinc/11/90/05/789119005.db2.gz MROQHVWEGOPRMK-AWEZNQCLSA-N -1 1 346.456 2.208 20 0 EEADMM CC(C)[C@@H](C)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839004 789938172 /nfs/dbraw/zinc/93/81/72/789938172.db2.gz DEEKPCHVXVSHPH-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(NC1CCN(Cc2c(F)cc([O-])cc2F)CC1)c1cccnc1 ZINC001144562040 789938312 /nfs/dbraw/zinc/93/83/12/789938312.db2.gz WDFOYKLSIRHSAF-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM CC(C)CCCC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839348 789938949 /nfs/dbraw/zinc/93/89/49/789938949.db2.gz NBYJSKAQKWVMOX-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM CCC[C@H](C)S(=O)(=O)[N-][C@H](C(=O)OC)c1cc(F)ccc1F ZINC000845848142 789976120 /nfs/dbraw/zinc/97/61/20/789976120.db2.gz KAOMDOSVSVIEIQ-ZANVPECISA-N -1 1 335.372 2.287 20 0 EEADMM N#Cc1ccc(C(=O)NCC(=O)OCc2ccccc2Cl)cc1[O-] ZINC000188403847 789981475 /nfs/dbraw/zinc/98/14/75/789981475.db2.gz BFCWAMKIAXELLY-UHFFFAOYSA-N -1 1 344.754 2.390 20 0 EEADMM CC(C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])=C1CCC1 ZINC000946208910 790142753 /nfs/dbraw/zinc/14/27/53/790142753.db2.gz NLGJSMBZNXGBKM-HUUCEWRRSA-N -1 1 343.427 2.302 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2cccc(F)n2)C1 ZINC001063105486 790223605 /nfs/dbraw/zinc/22/36/05/790223605.db2.gz SJROJFGHVMHFHQ-LBPRGKRZSA-N -1 1 330.363 2.062 20 0 EEADMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CCCc1nn[n-]n1 ZINC001147250829 791753864 /nfs/dbraw/zinc/75/38/64/791753864.db2.gz PLHAFYBXCZRPLY-GFCCVEGCSA-N -1 1 341.419 2.330 20 0 EEADMM Cc1ccc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001063881281 791876940 /nfs/dbraw/zinc/87/69/40/791876940.db2.gz QQUDJAYBHQNWOX-UONOGXRCSA-N -1 1 341.415 2.238 20 0 EEADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1ncc(F)cn1)c1ncccc1[O-] ZINC001064171604 792591058 /nfs/dbraw/zinc/59/10/58/792591058.db2.gz OSBUDZMPMHKZHS-DGCLKSJQSA-N -1 1 345.378 2.117 20 0 EEADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cc(F)ncn1)c1ncccc1[O-] ZINC001064171418 792591126 /nfs/dbraw/zinc/59/11/26/792591126.db2.gz LZQAXRJGPZGGCY-NEPJUHHUSA-N -1 1 345.378 2.117 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CCO)CC(F)(F)F ZINC001148798012 792712951 /nfs/dbraw/zinc/71/29/51/792712951.db2.gz JQQDFRVKBUPDQP-UHFFFAOYSA-N -1 1 331.212 2.408 20 0 EEADMM CCN=c1ncc(N)cn1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867504 792753982 /nfs/dbraw/zinc/75/39/82/792753982.db2.gz WSYTTWAFAOYRLL-UHFFFAOYSA-N -1 1 334.379 2.447 20 0 EEADMM Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148915412 792783177 /nfs/dbraw/zinc/78/31/77/792783177.db2.gz PRLKKZGCQDISIE-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1ccccc1OCC(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000010623738 792832794 /nfs/dbraw/zinc/83/27/94/792832794.db2.gz IEVXHKVIRSGGLF-UHFFFAOYSA-N -1 1 334.759 2.194 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCc2cnccc2C1 ZINC001148981408 792838964 /nfs/dbraw/zinc/83/89/64/792838964.db2.gz ISOSHCIIONPEKS-UHFFFAOYSA-N -1 1 349.184 2.454 20 0 EEADMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)[C@H]1CCCCN(C)C1=O ZINC000913662869 794041729 /nfs/dbraw/zinc/04/17/29/794041729.db2.gz SMMREIAZHXATBB-ZDUSSCGKSA-N -1 1 345.374 2.162 20 0 EEADMM O=C(Cc1csc2ccccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743096 794204897 /nfs/dbraw/zinc/20/48/97/794204897.db2.gz FHMFGVCFQCQXJB-UHFFFAOYSA-N -1 1 327.413 2.363 20 0 EEADMM COc1ccc2cc(C(=O)N3CCC(c4nn[n-]n4)CC3)sc2c1 ZINC000913747028 794224752 /nfs/dbraw/zinc/22/47/52/794224752.db2.gz OPADAQWPFNEVJN-UHFFFAOYSA-N -1 1 343.412 2.443 20 0 EEADMM CCCC1(C(=O)N2CC(N(CC)C(=O)c3ncccc3[O-])C2)CC1 ZINC001079654716 795057739 /nfs/dbraw/zinc/05/77/39/795057739.db2.gz YPHNYLBOWRGJMR-UHFFFAOYSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)CCC(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001060892608 795152476 /nfs/dbraw/zinc/15/24/76/795152476.db2.gz BOMNEINSMBJVSQ-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168462611 795189675 /nfs/dbraw/zinc/18/96/75/795189675.db2.gz CJZUFKJQTYQXLV-ZIAGYGMSSA-N -1 1 349.479 2.103 20 0 EEADMM COC(=O)c1cc(OC)nc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168477470 795345355 /nfs/dbraw/zinc/34/53/55/795345355.db2.gz FQILIUPDKDAYOJ-LLVKDONJSA-N -1 1 342.277 2.382 20 0 EEADMM CCOC(=O)c1nnsc1[N-]c1ccc(C(=O)N(C)C)cc1C ZINC001212728739 797455061 /nfs/dbraw/zinc/45/50/61/797455061.db2.gz GHVMZQQPYSDSJO-UHFFFAOYSA-N -1 1 334.401 2.469 20 0 EEADMM CCc1nc(C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)co1 ZINC000916122840 797519843 /nfs/dbraw/zinc/51/98/43/797519843.db2.gz BHMAJZWRTBTNPI-UHFFFAOYSA-N -1 1 332.328 2.002 20 0 EEADMM C[C@@H]1Cc2cc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)ccc2O1 ZINC001168694512 798007604 /nfs/dbraw/zinc/00/76/04/798007604.db2.gz NHYJHUAPTJZAKZ-BZNIZROVSA-N -1 1 335.367 2.043 20 0 EEADMM CSc1nc(C)c(CCC(=O)N[C@@H](C)Cc2ccco2)c(=O)[n-]1 ZINC000033208925 798099799 /nfs/dbraw/zinc/09/97/99/798099799.db2.gz FCCBBXYDRNCDMC-JTQLQIEISA-N -1 1 335.429 2.073 20 0 EEADMM CC(C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-])=C1CCC1 ZINC001002485520 798142065 /nfs/dbraw/zinc/14/20/65/798142065.db2.gz KLHVDDHMSMJRSV-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(N3CCOCC3)c2)c1 ZINC001176021833 798319604 /nfs/dbraw/zinc/31/96/04/798319604.db2.gz ZSXINWNXAKDSCJ-UHFFFAOYSA-N -1 1 348.424 2.376 20 0 EEADMM Cc1ccnc(C2(C(=O)Nc3nc(N(C)C)[n-]c(=O)c3N=O)CC2)c1 ZINC001178064827 799242937 /nfs/dbraw/zinc/24/29/37/799242937.db2.gz FJMIGNUJQOXQLV-UHFFFAOYSA-N -1 1 342.359 2.020 20 0 EEADMM CSc1nc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc(=O)[n-]1 ZINC001180178751 800287907 /nfs/dbraw/zinc/28/79/07/800287907.db2.gz BFJWXOZJKYTXSL-JTQLQIEISA-N -1 1 331.353 2.144 20 0 EEADMM CSCC[C@H](NC(=O)c1cccc(C)c1Cl)c1nn[n-]n1 ZINC000824911469 800301082 /nfs/dbraw/zinc/30/10/82/800301082.db2.gz CMHDJLIURGBECS-JTQLQIEISA-N -1 1 325.825 2.386 20 0 EEADMM COC(=O)c1c2[nH]ncc2ccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180436480 800412681 /nfs/dbraw/zinc/41/26/81/800412681.db2.gz MOLPBRYVVYSUJX-UHFFFAOYSA-N -1 1 345.355 2.323 20 0 EEADMM CN(C[C@H]1CCN1Cc1ccnc(Cl)c1)C(=O)c1ncccc1[O-] ZINC001085562070 800787186 /nfs/dbraw/zinc/78/71/86/800787186.db2.gz CAKWXHUNPLSRNQ-CYBMUJFWSA-N -1 1 346.818 2.182 20 0 EEADMM CCCCOCCOCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182209429 801061951 /nfs/dbraw/zinc/06/19/51/801061951.db2.gz CYIPCGFYISPEGM-UHFFFAOYSA-N -1 1 333.388 2.350 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)[C@@H]3CCc4c([nH]c5ccccc54)C3)c1-2 ZINC001182711630 801317321 /nfs/dbraw/zinc/31/73/21/801317321.db2.gz XPIIRSAJTHKPFX-LLVKDONJSA-N -1 1 346.394 2.260 20 0 EEADMM CCOC(=O)c1cc(NC(=O)CCC(=O)OCc2ccccc2)n[nH]1 ZINC001182771102 801344288 /nfs/dbraw/zinc/34/42/88/801344288.db2.gz FJCDRYPLMYQXQQ-UHFFFAOYSA-N -1 1 345.355 2.049 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2F)CC1)c1ncccc1[O-] ZINC001066430363 802381109 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Cc1nc([C@H](C)NCCCC[C@@H](C)NC(=O)c2ncccc2[O-])no1 ZINC001170355989 809904010 /nfs/dbraw/zinc/90/40/10/809904010.db2.gz DOFRMOSFWYMYKY-NEPJUHHUSA-N -1 1 347.419 2.118 20 0 EEADMM CCCC[C@H](CNc1cc(C)ncn1)NC(=O)c1ncccc1[O-] ZINC001114241123 810663124 /nfs/dbraw/zinc/66/31/24/810663124.db2.gz MQLSVSIEDYGXQY-CYBMUJFWSA-N -1 1 329.404 2.286 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)[C@H](O)c1ccc(C)cc1 ZINC000804485534 810881917 /nfs/dbraw/zinc/88/19/17/810881917.db2.gz SLZIVJZAUQIUMK-FZMZJTMJSA-N -1 1 347.440 2.373 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000805604356 811367509 /nfs/dbraw/zinc/36/75/09/811367509.db2.gz FYOYSXNMOUWBPI-NWDGAFQWSA-N -1 1 338.367 2.381 20 0 EEADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000807174877 812128325 /nfs/dbraw/zinc/12/83/25/812128325.db2.gz RLOSGIMDSZEICK-CQSZACIVSA-N -1 1 337.734 2.217 20 0 EEADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](O)c1c(F)cccc1F ZINC000807199053 812133513 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CCCCNC(=O)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000171863604 528551717 /nfs/dbraw/zinc/55/17/17/528551717.db2.gz PHPVLFJEUCCWMD-UHFFFAOYSA-N -1 1 327.384 2.247 20 0 EEADMM CCCCOc1cccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000164549950 528692975 /nfs/dbraw/zinc/69/29/75/528692975.db2.gz LFHZJZKLRJKQHF-INIZCTEOSA-N -1 1 348.443 2.278 20 0 EEADMM CCC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)OCC)C(C)(C)C ZINC000451776139 535706577 /nfs/dbraw/zinc/70/65/77/535706577.db2.gz GFBLTXWELGQTJZ-NSHDSACASA-N -1 1 331.438 2.080 20 0 EEADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738075518 577998418 /nfs/dbraw/zinc/99/84/18/577998418.db2.gz KRZPLDAQDAYSAE-UHFFFAOYSA-N -1 1 347.382 2.106 20 0 EEADMM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000738075518 577998419 /nfs/dbraw/zinc/99/84/19/577998419.db2.gz KRZPLDAQDAYSAE-UHFFFAOYSA-N -1 1 347.382 2.106 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC[C@@H](n3ccnc3)C2)c(C)c1C(=O)[O-] ZINC000738233421 578005236 /nfs/dbraw/zinc/00/52/36/578005236.db2.gz AUKCQFGQZWRRLS-UONOGXRCSA-N -1 1 344.415 2.435 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245645 578005878 /nfs/dbraw/zinc/00/58/78/578005878.db2.gz VNNNUJGYXIVEIJ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245645 578005879 /nfs/dbraw/zinc/00/58/79/578005879.db2.gz VNNNUJGYXIVEIJ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM c1ccn2c(c1)nnc2Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738437574 578015135 /nfs/dbraw/zinc/01/51/35/578015135.db2.gz QHAQWQRVFOGBQD-UHFFFAOYSA-N -1 1 347.367 2.004 20 0 EEADMM CC(C)(C)Sc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1 ZINC000727855286 576454281 /nfs/dbraw/zinc/45/42/81/576454281.db2.gz HJSAQBCIXRLJSX-UHFFFAOYSA-N -1 1 347.440 2.456 20 0 EEADMM COC(=O)c1ccc2ccccc2c1OS(=O)(=O)c1c[n-]nc1C ZINC000732215972 577159155 /nfs/dbraw/zinc/15/91/55/577159155.db2.gz IWTUHTZTNDPQSP-UHFFFAOYSA-N -1 1 346.364 2.426 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ncccc21 ZINC000771757100 577228709 /nfs/dbraw/zinc/22/87/09/577228709.db2.gz DQRWCPLJSYHGGA-UHFFFAOYSA-N -1 1 331.397 2.046 20 0 EEADMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000734875365 577332804 /nfs/dbraw/zinc/33/28/04/577332804.db2.gz XTQYFCWVIHOXBE-UHFFFAOYSA-N -1 1 328.357 2.421 20 0 EEADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1ccc([O-])cc1F ZINC000773575517 577352337 /nfs/dbraw/zinc/35/23/37/577352337.db2.gz JXHSFFYIEIDMFT-UHFFFAOYSA-N -1 1 342.330 2.481 20 0 EEADMM O=C(NCCCOc1ccc(F)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000773871589 577370685 /nfs/dbraw/zinc/37/06/85/577370685.db2.gz HUWLOMZFDKGMKI-UHFFFAOYSA-N -1 1 346.387 2.356 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1 ZINC000773979053 577376330 /nfs/dbraw/zinc/37/63/30/577376330.db2.gz HYGHRWXVLJLKSH-HSZRJFAPSA-N -1 1 346.437 2.149 20 0 EEADMM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc2n[n-]c(=S)n2c1 ZINC000774091544 577382769 /nfs/dbraw/zinc/38/27/69/577382769.db2.gz HXHUDYVAJBRSBM-UHFFFAOYSA-N -1 1 342.409 2.435 20 0 EEADMM Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765397960 577500241 /nfs/dbraw/zinc/50/02/41/577500241.db2.gz APXVKQOWQRBRHZ-UHFFFAOYSA-N -1 1 348.746 2.082 20 0 EEADMM C[C@H](CC(=O)OCc1nc(=O)n(C)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000765479845 577501715 /nfs/dbraw/zinc/50/17/15/577501715.db2.gz NSCAGLQGVMQLBG-SECBINFHSA-N -1 1 343.305 2.364 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC[C@@H]2CCCOC2)c(=O)[n-]1 ZINC000766313198 577517149 /nfs/dbraw/zinc/51/71/49/577517149.db2.gz WLBLQZLDZWBVQN-LLVKDONJSA-N -1 1 326.418 2.115 20 0 EEADMM CCOC(=O)c1nnc([N-]C(=O)c2ccnc(Cl)c2F)s1 ZINC000768724676 577561468 /nfs/dbraw/zinc/56/14/68/577561468.db2.gz CICONOIWXKDQLN-UHFFFAOYSA-N -1 1 330.728 2.155 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2F)cs1 ZINC000769889303 577586445 /nfs/dbraw/zinc/58/64/45/577586445.db2.gz HKKOSMMPDHVNDL-UHFFFAOYSA-N -1 1 345.373 2.483 20 0 EEADMM CC(C)C[C@@H](NC(=O)[C@H](N)c1ccc(Br)cc1)C(=O)[O-] ZINC000763030086 577712958 /nfs/dbraw/zinc/71/29/58/577712958.db2.gz BIYVNIPVVDCMMR-VXGBXAGGSA-N -1 1 343.221 2.064 20 0 EEADMM CC(C)=C(C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000750940191 577745603 /nfs/dbraw/zinc/74/56/03/577745603.db2.gz LTGFOKYHGMDPLG-UHFFFAOYSA-N -1 1 341.310 2.444 20 0 EEADMM CCCn1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1=O ZINC000751271302 577750113 /nfs/dbraw/zinc/75/01/13/577750113.db2.gz MXCKMFHXDJJYLV-UHFFFAOYSA-N -1 1 328.340 2.337 20 0 EEADMM Cn1[n-]c(CN2CCC(c3nc(C(C)(C)C)cs3)CC2)nc1=O ZINC000754030483 577798984 /nfs/dbraw/zinc/79/89/84/577798984.db2.gz APBZDAFPXLCXQC-UHFFFAOYSA-N -1 1 335.477 2.242 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C(C)=C2CCCC2)cc1 ZINC000754159715 577801464 /nfs/dbraw/zinc/80/14/64/577801464.db2.gz FIMVLJPFHKKVGO-UHFFFAOYSA-N -1 1 331.368 2.385 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(F)cc2Cl)co1 ZINC000756392051 577843234 /nfs/dbraw/zinc/84/32/34/577843234.db2.gz WDTPADDNILPDDL-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM CCOC(=O)c1csc(C[N-]C(=O)C(F)(F)c2nccs2)n1 ZINC000756828561 577850686 /nfs/dbraw/zinc/85/06/86/577850686.db2.gz DYEFAWHDCGVCHW-UHFFFAOYSA-N -1 1 347.368 2.185 20 0 EEADMM CCCCOC(=O)[C@@H](C)OC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000744794741 577903125 /nfs/dbraw/zinc/90/31/25/577903125.db2.gz AWKNMUGOLOAFIZ-SECBINFHSA-N -1 1 349.430 2.008 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCC(=O)C1CCCC1 ZINC000744890760 577904907 /nfs/dbraw/zinc/90/49/07/577904907.db2.gz YXHIRRZCUOFAQG-UHFFFAOYSA-N -1 1 345.399 2.287 20 0 EEADMM COC(=O)[C@@H](CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)CC(C)C ZINC000747405001 577943681 /nfs/dbraw/zinc/94/36/81/577943681.db2.gz KUYZMOVBAJCLER-GFCCVEGCSA-N -1 1 337.420 2.179 20 0 EEADMM Cc1cnc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)o1 ZINC000750168176 577988324 /nfs/dbraw/zinc/98/83/24/577988324.db2.gz LKUMNIKETAOSGS-UHFFFAOYSA-N -1 1 333.369 2.258 20 0 EEADMM O=C([O-])c1ccc(CCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000739260423 578046017 /nfs/dbraw/zinc/04/60/17/578046017.db2.gz QNADOAUQPGCHPL-UHFFFAOYSA-N -1 1 337.339 2.136 20 0 EEADMM COCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cn1 ZINC000737829670 578158176 /nfs/dbraw/zinc/15/81/76/578158176.db2.gz VESDYKQQOCSSGM-MRXNPFEDSA-N -1 1 334.347 2.161 20 0 EEADMM CC(C)OCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735903540 578172101 /nfs/dbraw/zinc/17/21/01/578172101.db2.gz IDSRLFUHZDKLRC-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM CC(C)OCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735903540 578172102 /nfs/dbraw/zinc/17/21/02/578172102.db2.gz IDSRLFUHZDKLRC-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000736140653 578182899 /nfs/dbraw/zinc/18/28/99/578182899.db2.gz YSTVOQYKNIFOBL-MNOVXSKESA-N -1 1 336.827 2.041 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000736205065 578187285 /nfs/dbraw/zinc/18/72/85/578187285.db2.gz MRVHPMBNFVJPGL-CJNGLKHVSA-N -1 1 348.418 2.327 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736276316 578192934 /nfs/dbraw/zinc/19/29/34/578192934.db2.gz ODQOJZCSIPYCBW-LBPRGKRZSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736276316 578192935 /nfs/dbraw/zinc/19/29/35/578192935.db2.gz ODQOJZCSIPYCBW-LBPRGKRZSA-N -1 1 349.398 2.137 20 0 EEADMM C[C@@H]1C(=O)N(CN2CCCC[C@H]2CC(=O)[O-])C(=O)N1c1ccccc1 ZINC000736746214 578221843 /nfs/dbraw/zinc/22/18/43/578221843.db2.gz IGYQEQYIQWZEFZ-HIFRSBDPSA-N -1 1 345.399 2.130 20 0 EEADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000736778809 578223074 /nfs/dbraw/zinc/22/30/74/578223074.db2.gz FYLIKKDVKFBVKU-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000736778809 578223075 /nfs/dbraw/zinc/22/30/75/578223075.db2.gz FYLIKKDVKFBVKU-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM O=C(COC(=O)C1(c2ccccc2F)CC1)[N-]C(=O)c1ccccc1 ZINC000736887683 578228559 /nfs/dbraw/zinc/22/85/59/578228559.db2.gz HUTLCFJCGXGJLA-UHFFFAOYSA-N -1 1 341.338 2.357 20 0 EEADMM COC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736950171 578230681 /nfs/dbraw/zinc/23/06/81/578230681.db2.gz XULWURPGTFZNPH-UHFFFAOYSA-N -1 1 348.322 2.389 20 0 EEADMM CCCn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737049821 578235238 /nfs/dbraw/zinc/23/52/38/578235238.db2.gz IRPBLOCTHBHXRF-UHFFFAOYSA-N -1 1 345.327 2.070 20 0 EEADMM CCCc1nnc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)[nH]1 ZINC000737050323 578235254 /nfs/dbraw/zinc/23/52/54/578235254.db2.gz HHXMUBODQPLNFV-HIFRSBDPSA-N -1 1 348.378 2.096 20 0 EEADMM CCCc1n[nH]c([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)n1 ZINC000737050323 578235255 /nfs/dbraw/zinc/23/52/55/578235255.db2.gz HHXMUBODQPLNFV-HIFRSBDPSA-N -1 1 348.378 2.096 20 0 EEADMM COc1ccc(COCCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000737097113 578237914 /nfs/dbraw/zinc/23/79/14/578237914.db2.gz INNZVYZTOGEWLO-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COc1ccc(COCCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000737097113 578237915 /nfs/dbraw/zinc/23/79/15/578237915.db2.gz INNZVYZTOGEWLO-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM Cc1cc(C)n(CCCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000737257255 578246454 /nfs/dbraw/zinc/24/64/54/578246454.db2.gz TUUIMTSWSZTRJF-UHFFFAOYSA-N -1 1 349.402 2.125 20 0 EEADMM Cc1cc(C)n(CCCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000737257255 578246455 /nfs/dbraw/zinc/24/64/55/578246455.db2.gz TUUIMTSWSZTRJF-UHFFFAOYSA-N -1 1 349.402 2.125 20 0 EEADMM CN(Cc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000737481323 578260102 /nfs/dbraw/zinc/26/01/02/578260102.db2.gz DWKQXAVXDQNIPD-MRXNPFEDSA-N -1 1 346.431 2.498 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000737546203 578263371 /nfs/dbraw/zinc/26/33/71/578263371.db2.gz AJOWAPUXMBHVMN-ONGXEEELSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000737546203 578263372 /nfs/dbraw/zinc/26/33/72/578263372.db2.gz AJOWAPUXMBHVMN-ONGXEEELSA-N -1 1 327.344 2.372 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CC1(C)C ZINC000737546217 578263388 /nfs/dbraw/zinc/26/33/88/578263388.db2.gz ASYCPINHLOHYCT-LLVKDONJSA-N -1 1 340.387 2.335 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CC1(C)C ZINC000737546217 578263389 /nfs/dbraw/zinc/26/33/89/578263389.db2.gz ASYCPINHLOHYCT-LLVKDONJSA-N -1 1 340.387 2.335 20 0 EEADMM Clc1ccc(NCc2cn3ccccc3n2)nc1-c1nnn[n-]1 ZINC000737576170 578265330 /nfs/dbraw/zinc/26/53/30/578265330.db2.gz XAZKGDSHKBQDHB-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1ccc(NCc2cn3ccccc3n2)nc1-c1nn[n-]n1 ZINC000737576170 578265331 /nfs/dbraw/zinc/26/53/31/578265331.db2.gz XAZKGDSHKBQDHB-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1ccc2[nH]c(Sc3nccnc3-c3nn[n-]n3)nc2c1 ZINC000737575599 578265398 /nfs/dbraw/zinc/26/53/98/578265398.db2.gz YRQHYLISOCGYJS-UHFFFAOYSA-N -1 1 330.764 2.338 20 0 EEADMM Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000737639402 578268189 /nfs/dbraw/zinc/26/81/89/578268189.db2.gz QNAFMSJDQMAMSJ-HNNXBMFYSA-N -1 1 327.367 2.456 20 0 EEADMM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1ccc(C(C)=O)cc1 ZINC000737853318 578271230 /nfs/dbraw/zinc/27/12/30/578271230.db2.gz FQAVYRARTVLWNZ-QGZVFWFLSA-N -1 1 346.427 2.290 20 0 EEADMM c1nn(CC2CC2)cc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000823797760 599109532 /nfs/dbraw/zinc/10/95/32/599109532.db2.gz RBTGSFVYFKMSSK-UHFFFAOYSA-N -1 1 333.359 2.160 20 0 EEADMM c1nn(CC2CC2)cc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000823797760 599109533 /nfs/dbraw/zinc/10/95/33/599109533.db2.gz RBTGSFVYFKMSSK-UHFFFAOYSA-N -1 1 333.359 2.160 20 0 EEADMM O=C([O-])CCNC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000263348199 597225690 /nfs/dbraw/zinc/22/56/90/597225690.db2.gz HDDMGXAMOSPLOB-UHFFFAOYSA-N -1 1 341.411 2.142 20 0 EEADMM O=C1OCCN1c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823551323 607310226 /nfs/dbraw/zinc/31/02/26/607310226.db2.gz MUMZNEKQKPAKPQ-UHFFFAOYSA-N -1 1 326.316 2.028 20 0 EEADMM O=C1OCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823551323 607310227 /nfs/dbraw/zinc/31/02/27/607310227.db2.gz MUMZNEKQKPAKPQ-UHFFFAOYSA-N -1 1 326.316 2.028 20 0 EEADMM COCCn1ncc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc21 ZINC000821695223 607314261 /nfs/dbraw/zinc/31/42/61/607314261.db2.gz OKESXPRXWAUELS-UHFFFAOYSA-N -1 1 339.359 2.068 20 0 EEADMM COCCn1ncc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc21 ZINC000821695223 607314262 /nfs/dbraw/zinc/31/42/62/607314262.db2.gz OKESXPRXWAUELS-UHFFFAOYSA-N -1 1 339.359 2.068 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C[C@H](Cc3ccccc3)OC2=O)C1 ZINC000821515091 597671811 /nfs/dbraw/zinc/67/18/11/597671811.db2.gz DKIVSJCISTVEPK-CVEARBPZSA-N -1 1 332.400 2.194 20 0 EEADMM CC(C)N(CC(=O)NCC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000819996380 597772630 /nfs/dbraw/zinc/77/26/30/597772630.db2.gz LPUMXYJEWCWHRH-UHFFFAOYSA-N -1 1 332.322 2.117 20 0 EEADMM Cn1c(CN2CC[C@H](C(=O)[O-])C2)nc2cc(C(F)(F)F)ccc21 ZINC000821269161 598129607 /nfs/dbraw/zinc/12/96/07/598129607.db2.gz OTGXKVKUEPJLHM-VIFPVBQESA-N -1 1 327.306 2.499 20 0 EEADMM Cc1ccc(S(=O)(=O)CCCN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000821098678 598172232 /nfs/dbraw/zinc/17/22/32/598172232.db2.gz LPIIRJYZZDGZRZ-HNNXBMFYSA-N -1 1 339.457 2.346 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc(O[C@H]2CCOC2)cc1 ZINC000823762042 599445715 /nfs/dbraw/zinc/44/57/15/599445715.db2.gz GGAGQFFLAHBRNK-AWEZNQCLSA-N -1 1 327.344 2.240 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc(O[C@H]2CCOC2)cc1 ZINC000823762042 599445718 /nfs/dbraw/zinc/44/57/18/599445718.db2.gz GGAGQFFLAHBRNK-AWEZNQCLSA-N -1 1 327.344 2.240 20 0 EEADMM CC(C)C[C@H](CCO)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820054853 599686438 /nfs/dbraw/zinc/68/64/38/599686438.db2.gz DCPSGQABWGIKLU-LBPRGKRZSA-N -1 1 341.419 2.267 20 0 EEADMM CC(C)C[C@H](CCO)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820054853 599686439 /nfs/dbraw/zinc/68/64/39/599686439.db2.gz DCPSGQABWGIKLU-LBPRGKRZSA-N -1 1 341.419 2.267 20 0 EEADMM CN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000830959951 600834598 /nfs/dbraw/zinc/83/45/98/600834598.db2.gz DDTDLGUCQUITPC-LSDHHAIUSA-N -1 1 345.443 2.268 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)N(CC)c1nc2ccccc2s1 ZINC000829702031 600993375 /nfs/dbraw/zinc/99/33/75/600993375.db2.gz ZTBQMROAFREFOO-UHFFFAOYSA-N -1 1 335.429 2.446 20 0 EEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000827935479 601039034 /nfs/dbraw/zinc/03/90/34/601039034.db2.gz RWCFLDQPLBVIRK-BTDLBPIBSA-N -1 1 340.370 2.327 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 ZINC000827354281 601105384 /nfs/dbraw/zinc/10/53/84/601105384.db2.gz CXQKAGTVIIOWOU-YWZLYKJASA-N -1 1 344.455 2.189 20 0 EEADMM CCOc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830109473 601126720 /nfs/dbraw/zinc/12/67/20/601126720.db2.gz BQFPMSAXMQUENM-CYBMUJFWSA-N -1 1 335.404 2.098 20 0 EEADMM Cc1cc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1N(C)C ZINC000832895499 601127989 /nfs/dbraw/zinc/12/79/89/601127989.db2.gz XQJTYKGZJIWSQU-AWEZNQCLSA-N -1 1 348.447 2.074 20 0 EEADMM COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000832589577 601175880 /nfs/dbraw/zinc/17/58/80/601175880.db2.gz RJMBJXBOFWIHIZ-KZULUSFZSA-N -1 1 334.416 2.058 20 0 EEADMM O=C(Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cn1)C1CC1 ZINC000823350474 607493492 /nfs/dbraw/zinc/49/34/92/607493492.db2.gz OJBVRKGPYHZINX-UHFFFAOYSA-N -1 1 341.400 2.284 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000833105219 601355719 /nfs/dbraw/zinc/35/57/19/601355719.db2.gz JUIUODIJBBHZBM-SFHVURJKSA-N -1 1 332.400 2.216 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000831526619 601429781 /nfs/dbraw/zinc/42/97/81/601429781.db2.gz JVVABOKYURDAFC-KXBFYZLASA-N -1 1 348.443 2.483 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)NCC(C)(C)C(=O)[O-])N2CCCC2)o1 ZINC000832924460 601669637 /nfs/dbraw/zinc/66/96/37/601669637.db2.gz WLXMUAXIIOFWBN-CYBMUJFWSA-N -1 1 337.420 2.135 20 0 EEADMM CC(C)c1ccc(S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824347935 607530372 /nfs/dbraw/zinc/53/03/72/607530372.db2.gz UCIUUBBPLCNEFX-UHFFFAOYSA-N -1 1 343.412 2.359 20 0 EEADMM CC(C)c1ccc(S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824347935 607530374 /nfs/dbraw/zinc/53/03/74/607530374.db2.gz UCIUUBBPLCNEFX-UHFFFAOYSA-N -1 1 343.412 2.359 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000828024480 601946282 /nfs/dbraw/zinc/94/62/82/601946282.db2.gz PPTKQCQFYZJQLI-CQSZACIVSA-N -1 1 330.306 2.441 20 0 EEADMM Cc1nnc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[nH]1 ZINC000833002236 602000695 /nfs/dbraw/zinc/00/06/95/602000695.db2.gz QIUPYROFTIIMAP-UHFFFAOYSA-N -1 1 329.238 2.474 20 0 EEADMM Cc1n[nH]c(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000833002236 602000698 /nfs/dbraw/zinc/00/06/98/602000698.db2.gz QIUPYROFTIIMAP-UHFFFAOYSA-N -1 1 329.238 2.474 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000262843661 602035738 /nfs/dbraw/zinc/03/57/38/602035738.db2.gz AXCIEILVJBWRDC-APWZRJJASA-N -1 1 330.428 2.364 20 0 EEADMM c1ccc(O[C@H]2CCOC2)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826522744 607552548 /nfs/dbraw/zinc/55/25/48/607552548.db2.gz MPLAZNMTCXHIMN-ZDUSSCGKSA-N -1 1 338.371 2.042 20 0 EEADMM c1ccc(O[C@H]2CCOC2)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826522744 607552549 /nfs/dbraw/zinc/55/25/49/607552549.db2.gz MPLAZNMTCXHIMN-ZDUSSCGKSA-N -1 1 338.371 2.042 20 0 EEADMM FC(F)n1ncc2cc(Nc3nccnc3-c3nnn[n-]3)ccc21 ZINC000826370353 607565853 /nfs/dbraw/zinc/56/58/53/607565853.db2.gz OKPWEOLPUVJGPU-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM FC(F)n1ncc2cc(Nc3nccnc3-c3nn[n-]n3)ccc21 ZINC000826370353 607565854 /nfs/dbraw/zinc/56/58/54/607565854.db2.gz OKPWEOLPUVJGPU-UHFFFAOYSA-N -1 1 329.274 2.145 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833145877 604294167 /nfs/dbraw/zinc/29/41/67/604294167.db2.gz TZFUOBOQKSCTCJ-CQSZACIVSA-N -1 1 328.372 2.027 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2CC(=O)[O-])N2CCCC2)o1 ZINC000832924738 604506905 /nfs/dbraw/zinc/50/69/05/604506905.db2.gz YOUGAGCDJOKQLH-CABCVRRESA-N -1 1 349.431 2.374 20 0 EEADMM COc1cccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1OC(C)C ZINC000833735842 604761826 /nfs/dbraw/zinc/76/18/26/604761826.db2.gz YSUJNMOCKXZJLA-MRXNPFEDSA-N -1 1 337.416 2.140 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(Cc3cccc(C)c3)CC2)O1 ZINC000833580922 604821689 /nfs/dbraw/zinc/82/16/89/604821689.db2.gz UCOSCLYRROSNNJ-KRWDZBQOSA-N -1 1 330.428 2.260 20 0 EEADMM C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833410837 604931746 /nfs/dbraw/zinc/93/17/46/604931746.db2.gz HODSUDZTKUYKFK-WDEREUQCSA-N -1 1 325.434 2.293 20 0 EEADMM C[C@H]1C[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C[C@@H](C)C1 ZINC000833593243 605053352 /nfs/dbraw/zinc/05/33/52/605053352.db2.gz HNAJCVHXBVOPJO-LJISPDSOSA-N -1 1 325.453 2.002 20 0 EEADMM CC(C)Oc1ccccc1[C@H](C)NCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833507600 605070102 /nfs/dbraw/zinc/07/01/02/605070102.db2.gz WNVCVKREBZNFOL-AWEZNQCLSA-N -1 1 348.443 2.448 20 0 EEADMM O=C([O-])c1occc1CNCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000833785105 605085907 /nfs/dbraw/zinc/08/59/07/605085907.db2.gz DJXJTEUTADWLHW-OAHLLOKOSA-N -1 1 344.367 2.385 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/SCc1ccco1 ZINC000833618511 605102046 /nfs/dbraw/zinc/10/20/46/605102046.db2.gz BSVGJPPLUIAEHU-ZQNFCJTASA-N -1 1 338.429 2.034 20 0 EEADMM CCOc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833664767 605104651 /nfs/dbraw/zinc/10/46/51/605104651.db2.gz ZRWHQFXWDOCHPB-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833656606 605119618 /nfs/dbraw/zinc/11/96/18/605119618.db2.gz KEBHRDZXIYTMEP-KBPBESRZSA-N -1 1 333.432 2.051 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cccc(OCC(=O)[O-])c2)C[C@@H]1C ZINC000833655296 605154817 /nfs/dbraw/zinc/15/48/17/605154817.db2.gz CJSIECQYWGRCNE-STQMWFEESA-N -1 1 335.404 2.096 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)on1 ZINC000833777757 605262573 /nfs/dbraw/zinc/26/25/73/605262573.db2.gz DGWRYLHTBSOFOM-LLVKDONJSA-N -1 1 335.385 2.001 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2cccc(C)c2)C1)C(=O)[O-] ZINC000833639912 605425829 /nfs/dbraw/zinc/42/58/29/605425829.db2.gz RRDFAWSLWCMZTP-ZVZYQTTQSA-N -1 1 332.444 2.400 20 0 EEADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821034672 606169259 /nfs/dbraw/zinc/16/92/59/606169259.db2.gz RCKYHNZZWLOAEP-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821034672 606169261 /nfs/dbraw/zinc/16/92/61/606169261.db2.gz RCKYHNZZWLOAEP-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000822586176 606200366 /nfs/dbraw/zinc/20/03/66/606200366.db2.gz SOARRPHGIYZVJF-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000822586176 606200368 /nfs/dbraw/zinc/20/03/68/606200368.db2.gz SOARRPHGIYZVJF-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM O=C(NCCc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823220137 606543497 /nfs/dbraw/zinc/54/34/97/606543497.db2.gz YNZQMZAZWHNOSU-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823220137 606543498 /nfs/dbraw/zinc/54/34/98/606543498.db2.gz YNZQMZAZWHNOSU-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822410113 606565626 /nfs/dbraw/zinc/56/56/26/606565626.db2.gz XDMVLAZCJXLFTN-UHFFFAOYSA-N -1 1 334.430 2.358 20 0 EEADMM Cc1csc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822410113 606565627 /nfs/dbraw/zinc/56/56/27/606565627.db2.gz XDMVLAZCJXLFTN-UHFFFAOYSA-N -1 1 334.430 2.358 20 0 EEADMM O=C(C[C@@H]1CCc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822946142 606647185 /nfs/dbraw/zinc/64/71/85/606647185.db2.gz WERKWMKQDHAZEJ-AWEZNQCLSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(C[C@@H]1CCc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822946142 606647186 /nfs/dbraw/zinc/64/71/86/606647186.db2.gz WERKWMKQDHAZEJ-AWEZNQCLSA-N -1 1 335.367 2.425 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822009886 606650392 /nfs/dbraw/zinc/65/03/92/606650392.db2.gz GRONNJRCUOSJEE-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822009886 606650393 /nfs/dbraw/zinc/65/03/93/606650393.db2.gz GRONNJRCUOSJEE-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc2ccsc2c1 ZINC000823436388 606652304 /nfs/dbraw/zinc/65/23/04/606652304.db2.gz SOQLNPAOGBXFKH-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000823436388 606652305 /nfs/dbraw/zinc/65/23/05/606652305.db2.gz SOQLNPAOGBXFKH-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2S1 ZINC000820744247 606691697 /nfs/dbraw/zinc/69/16/97/606691697.db2.gz XJCBRZZOUOIFNV-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2S1 ZINC000820744247 606691698 /nfs/dbraw/zinc/69/16/98/606691698.db2.gz XJCBRZZOUOIFNV-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)COc2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC000824925801 607865993 /nfs/dbraw/zinc/86/59/93/607865993.db2.gz HEWMRWMZDVDCOM-WZRBSPASSA-N -1 1 347.394 2.326 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)COc2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC000824925801 607865994 /nfs/dbraw/zinc/86/59/94/607865994.db2.gz HEWMRWMZDVDCOM-WZRBSPASSA-N -1 1 347.394 2.326 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000826356791 607927646 /nfs/dbraw/zinc/92/76/46/607927646.db2.gz FXXVONRNKFBHHM-SDDRHHMPSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000826356791 607927647 /nfs/dbraw/zinc/92/76/47/607927647.db2.gz FXXVONRNKFBHHM-SDDRHHMPSA-N -1 1 329.408 2.145 20 0 EEADMM O=C(OCc1cnc(Cl)s1)c1sccc1-c1nn[n-]n1 ZINC000826467990 608029530 /nfs/dbraw/zinc/02/95/30/608029530.db2.gz UVNPKUHNUGMQDC-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM Cc1ncc2c(n1)CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000826330407 608181321 /nfs/dbraw/zinc/18/13/21/608181321.db2.gz SRSYIOXZCICWDY-QMMMGPOBSA-N -1 1 348.823 2.044 20 0 EEADMM Cc1ncc2c(n1)CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000826330407 608181322 /nfs/dbraw/zinc/18/13/22/608181322.db2.gz SRSYIOXZCICWDY-QMMMGPOBSA-N -1 1 348.823 2.044 20 0 EEADMM CCn1c(C)nnc1Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825782987 608182731 /nfs/dbraw/zinc/18/27/31/608182731.db2.gz YCSIXHQYYBAZRF-UHFFFAOYSA-N -1 1 328.814 2.048 20 0 EEADMM CCn1c(C)nnc1Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825782987 608182732 /nfs/dbraw/zinc/18/27/32/608182732.db2.gz YCSIXHQYYBAZRF-UHFFFAOYSA-N -1 1 328.814 2.048 20 0 EEADMM Fc1ccc(CC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826374278 608194715 /nfs/dbraw/zinc/19/47/15/608194715.db2.gz SSSBFUNBUPLFBC-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Fc1ccc(CC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826374278 608194716 /nfs/dbraw/zinc/19/47/16/608194716.db2.gz SSSBFUNBUPLFBC-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Clc1nsc(NC[C@H]2COC3(CCCC3)O2)c1-c1nnn[n-]1 ZINC000826353895 608294379 /nfs/dbraw/zinc/29/43/79/608294379.db2.gz IFUDDHGQCXXDJY-ZETCQYMHSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nsc(NC[C@H]2COC3(CCCC3)O2)c1-c1nn[n-]n1 ZINC000826353895 608294381 /nfs/dbraw/zinc/29/43/81/608294381.db2.gz IFUDDHGQCXXDJY-ZETCQYMHSA-N -1 1 342.812 2.074 20 0 EEADMM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1)c1ccco1 ZINC000826455159 608388752 /nfs/dbraw/zinc/38/87/52/608388752.db2.gz BHHQEUODKRAHMQ-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1)c1ccco1 ZINC000826455159 608388754 /nfs/dbraw/zinc/38/87/54/608388754.db2.gz BHHQEUODKRAHMQ-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM Clc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826353557 608403849 /nfs/dbraw/zinc/40/38/49/608403849.db2.gz UYPJZZWHEZMVJO-JTQLQIEISA-N -1 1 329.751 2.246 20 0 EEADMM Clc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826353557 608403850 /nfs/dbraw/zinc/40/38/50/608403850.db2.gz UYPJZZWHEZMVJO-JTQLQIEISA-N -1 1 329.751 2.246 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824191483 608427155 /nfs/dbraw/zinc/42/71/55/608427155.db2.gz FVWMCTHKXRGXEU-OAHLLOKOSA-N -1 1 341.394 2.499 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824191483 608427158 /nfs/dbraw/zinc/42/71/58/608427158.db2.gz FVWMCTHKXRGXEU-OAHLLOKOSA-N -1 1 341.394 2.499 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cnn(Cc2ccccc2)c1 ZINC000826280894 608542801 /nfs/dbraw/zinc/54/28/01/608542801.db2.gz UXSVWKICQHWERB-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM FC(F)(F)Sc1cccc(Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826368681 609305192 /nfs/dbraw/zinc/30/51/92/609305192.db2.gz YOZNFNJYXBBOJE-UHFFFAOYSA-N -1 1 327.295 2.118 20 0 EEADMM CC(=O)N1CCC[C@H](C2CCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001020855931 675542596 /nfs/dbraw/zinc/54/25/96/675542596.db2.gz IXJUHWWVELUFCG-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(CC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001021182843 675804402 /nfs/dbraw/zinc/80/44/02/675804402.db2.gz DDRPTPAYSGIQDG-GOOCMWNKSA-N -1 1 347.463 2.092 20 0 EEADMM CN(Cc1ccc(F)cc1F)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393321 676521034 /nfs/dbraw/zinc/52/10/34/676521034.db2.gz HAGAXVODWCXBKI-CQSZACIVSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)sc2nccn12 ZINC000891622864 676731883 /nfs/dbraw/zinc/73/18/83/676731883.db2.gz RFQBJYZBLNZORJ-UHFFFAOYSA-N -1 1 329.385 2.331 20 0 EEADMM CN(C)C(=O)c1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891622366 676733085 /nfs/dbraw/zinc/73/30/85/676733085.db2.gz LQIRBSAFNHJBLG-UHFFFAOYSA-N -1 1 340.383 2.015 20 0 EEADMM COCc1nc(NCc2ccnc(N3CCCCC3)c2)cc(=O)[n-]1 ZINC000891891026 676889914 /nfs/dbraw/zinc/88/99/14/676889914.db2.gz KMACBYVFKYSHHJ-UHFFFAOYSA-N -1 1 329.404 2.326 20 0 EEADMM COCCOC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2O)C1 ZINC000892134212 676906344 /nfs/dbraw/zinc/90/63/44/676906344.db2.gz XRMFDTMQJOCJFI-NSHDSACASA-N -1 1 345.237 2.035 20 0 EEADMM COCCOC[C@H]1CCN(Cc2ncc(Br)cc2[O-])C1 ZINC000892134212 676906345 /nfs/dbraw/zinc/90/63/45/676906345.db2.gz XRMFDTMQJOCJFI-NSHDSACASA-N -1 1 345.237 2.035 20 0 EEADMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866853802 677883790 /nfs/dbraw/zinc/88/37/90/677883790.db2.gz CBFUKCBWEMMQJK-YUMQZZPRSA-N -1 1 327.233 2.074 20 0 EEADMM O=S(=O)([N-][C@@H]1C[C@H]1C1CCCCC1)c1nc[nH]c1Br ZINC000866873795 678405612 /nfs/dbraw/zinc/40/56/12/678405612.db2.gz XMGQQVXVLAOZJH-VHSXEESVSA-N -1 1 348.266 2.419 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC000984793623 685266019 /nfs/dbraw/zinc/26/60/19/685266019.db2.gz CWGLKHSKCCQJMT-APIJFGDWSA-N -1 1 345.443 2.333 20 0 EEADMM CN(C(=O)C=C1CCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937210541 681684958 /nfs/dbraw/zinc/68/49/58/681684958.db2.gz CHWRBNSTGOTGCP-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CC(C)(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983080594 681757964 /nfs/dbraw/zinc/75/79/64/681757964.db2.gz JKCAXJHVMIEUMU-CYBMUJFWSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(CC1CC1)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973683728 682902169 /nfs/dbraw/zinc/90/21/69/682902169.db2.gz OIJAQLNKLNZHJF-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)[C@H]1CC12CCC2)c1ncccc1[O-] ZINC000937409303 682993866 /nfs/dbraw/zinc/99/38/66/682993866.db2.gz LSNQULNBIGRLHG-UONOGXRCSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(CCCc1nn[n-]n1)NCCc1ccc(Cl)c(Cl)c1 ZINC000899450705 693746203 /nfs/dbraw/zinc/74/62/03/693746203.db2.gz JFZXGJHTXFSCIY-UHFFFAOYSA-N -1 1 328.203 2.188 20 0 EEADMM C/C(=C/C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059249371 683653568 /nfs/dbraw/zinc/65/35/68/683653568.db2.gz OJNYTWLIACWGFX-FZDNWWAKSA-N -1 1 343.427 2.112 20 0 EEADMM COc1ncc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)s1 ZINC000915253264 684066535 /nfs/dbraw/zinc/06/65/35/684066535.db2.gz XLRXZKSISWMOQA-QMMMGPOBSA-N -1 1 326.390 2.256 20 0 EEADMM CN(C(=O)[C@H]1CCC1(C)C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984110354 684112655 /nfs/dbraw/zinc/11/26/55/684112655.db2.gz AWTNEORTVQLGMK-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C)Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cn1 ZINC000909510610 684372819 /nfs/dbraw/zinc/37/28/19/684372819.db2.gz JYWDGYGCAUMFBH-UHFFFAOYSA-N -1 1 327.384 2.413 20 0 EEADMM C[C@@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978746578 693867934 /nfs/dbraw/zinc/86/79/34/693867934.db2.gz ZDDNDVITQRVDDZ-VYGYDYRJSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(COC(=O)Cc1ccc2c(c1)CCC2)[N-]C(=O)c1ccccc1 ZINC000007296991 684590136 /nfs/dbraw/zinc/59/01/36/684590136.db2.gz YXQZBRJPLLJRQH-UHFFFAOYSA-N -1 1 337.375 2.218 20 0 EEADMM CCC1(Cn2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)nn2)COC1 ZINC000896224546 684901925 /nfs/dbraw/zinc/90/19/25/684901925.db2.gz NOWFGHCJTOSYKI-UHFFFAOYSA-N -1 1 345.334 2.266 20 0 EEADMM COCc1nc(NCC2CCN(CC(F)(F)F)CC2)cc(=O)[n-]1 ZINC000893363834 684928519 /nfs/dbraw/zinc/92/85/19/684928519.db2.gz NZHJHMKTIBBGDN-UHFFFAOYSA-N -1 1 334.342 2.015 20 0 EEADMM CC(=O)OC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897178259 686220116 /nfs/dbraw/zinc/22/01/16/686220116.db2.gz FRMIXPQEZQBKRE-UHFFFAOYSA-N -1 1 329.352 2.419 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C(C)(C)C2CC2)CCN1C(=O)c1ncccc1[O-] ZINC000985298363 686269732 /nfs/dbraw/zinc/26/97/32/686269732.db2.gz RSDWVEFVQRWGKQ-UONOGXRCSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)=C(F)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516782 686287197 /nfs/dbraw/zinc/28/71/97/686287197.db2.gz USVVTZXVKHFZOM-GFCCVEGCSA-N -1 1 335.379 2.019 20 0 EEADMM O=C(COc1ccc2c(c1)CCC2)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388255 686558103 /nfs/dbraw/zinc/55/81/03/686558103.db2.gz JGEYOHKLMBGQIO-UHFFFAOYSA-N -1 1 326.278 2.330 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000975468771 686584579 /nfs/dbraw/zinc/58/45/79/686584579.db2.gz DWLMKMBCWYEDBR-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000866928970 686852413 /nfs/dbraw/zinc/85/24/13/686852413.db2.gz RZGUSEPWYCZDDW-NEPJUHHUSA-N -1 1 340.536 2.147 20 0 EEADMM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000866930128 686969835 /nfs/dbraw/zinc/96/98/35/686969835.db2.gz LLGHFDDWKSEQJZ-ZANVPECISA-N -1 1 334.438 2.011 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)s1 ZINC000936456486 687304067 /nfs/dbraw/zinc/30/40/67/687304067.db2.gz GWAIUJGJYHATFC-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM CCc1ccc([C@@H]2CN(c3cc(=O)[n-]c(COC)n3)CCO2)cc1 ZINC000893450398 687650478 /nfs/dbraw/zinc/65/04/78/687650478.db2.gz MLYCRAVDXYQKCF-HNNXBMFYSA-N -1 1 329.400 2.469 20 0 EEADMM C[C@H](CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1)C1CCCCC1 ZINC000990970570 694134093 /nfs/dbraw/zinc/13/40/93/694134093.db2.gz VRTGWBGAHUCOSK-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000976570457 687865632 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EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CC2(CCC2)C1 ZINC000950545869 1210269269 /nfs/dbraw/zinc/26/92/69/1210269269.db2.gz AMOJMBNOXPXMMH-CQSZACIVSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1nn(C)c2ncc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)cc12 ZINC000078777117 1210396897 /nfs/dbraw/zinc/39/68/97/1210396897.db2.gz XNOMLIQJXPGOCA-UHFFFAOYSA-N -1 1 340.387 2.044 20 0 EEADMM Cc1coc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC001015411211 1225218356 /nfs/dbraw/zinc/21/83/56/1225218356.db2.gz MYTMCYPFEDWELK-STQMWFEESA-N -1 1 343.383 2.017 20 0 EEADMM CC[C@H](CO)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000779601428 1210586356 /nfs/dbraw/zinc/58/63/56/1210586356.db2.gz ZCNMLFWQDYSIAS-CYBMUJFWSA-N -1 1 348.424 2.444 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000951209250 1210679095 /nfs/dbraw/zinc/67/90/95/1210679095.db2.gz WHKDVAPASNFVLE-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccccc1C(F)(F)F ZINC000079725619 1210685901 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ZINC001609279021 1351920322 /nfs/dbraw/zinc/92/03/22/1351920322.db2.gz ITKVXEPRJKLSHQ-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609279021 1351920324 /nfs/dbraw/zinc/92/03/24/1351920324.db2.gz ITKVXEPRJKLSHQ-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001609428903 1351972841 /nfs/dbraw/zinc/97/28/41/1351972841.db2.gz DJQVZOAJUHMRFL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001609428903 1351972843 /nfs/dbraw/zinc/97/28/43/1351972843.db2.gz DJQVZOAJUHMRFL-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H]2Cc3ccccc32)c1-c1nnn[n-]1 ZINC001609465936 1351987599 /nfs/dbraw/zinc/98/75/99/1351987599.db2.gz WSZWNYXYQZNZGZ-JTQLQIEISA-N -1 1 341.400 2.093 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H]2Cc3ccccc32)c1-c1nn[n-]n1 ZINC001609465936 1351987602 /nfs/dbraw/zinc/98/76/02/1351987602.db2.gz WSZWNYXYQZNZGZ-JTQLQIEISA-N -1 1 341.400 2.093 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001609490436 1351996478 /nfs/dbraw/zinc/99/64/78/1351996478.db2.gz VNUWYSYYVPRTPN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001609490436 1351996482 /nfs/dbraw/zinc/99/64/82/1351996482.db2.gz VNUWYSYYVPRTPN-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM O=C(Cc1coc2ccccc12)OCc1cccnc1-c1nnn[n-]1 ZINC001609537083 1352009316 /nfs/dbraw/zinc/00/93/16/1352009316.db2.gz OKPPTCNAUVUSRE-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(Cc1coc2ccccc12)OCc1cccnc1-c1nn[n-]n1 ZINC001609537083 1352009320 /nfs/dbraw/zinc/00/93/20/1352009320.db2.gz OKPPTCNAUVUSRE-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM Cc1cc(C(=O)COCc2nn[n-]n2)c(C)n1CCc1cccs1 ZINC001331952451 1335686028 /nfs/dbraw/zinc/68/60/28/1335686028.db2.gz OIUZZHASVUKGCC-UHFFFAOYSA-N -1 1 345.428 2.322 20 0 EEADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(CC(=O)[O-])CC1 ZINC001609635300 1352046897 /nfs/dbraw/zinc/04/68/97/1352046897.db2.gz VAJXFWUJWKYNQF-CJNGLKHVSA-N -1 1 346.427 2.202 20 0 EEADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001609772651 1352081380 /nfs/dbraw/zinc/08/13/80/1352081380.db2.gz DTODWCCMMIKRQC-XMZIXOGTSA-N -1 1 330.384 2.451 20 0 EEADMM C[C@H](NCc1nc(-c2ccccc2)n[nH]1)c1ncc(C(=O)[O-])s1 ZINC001609780199 1352083527 /nfs/dbraw/zinc/08/35/27/1352083527.db2.gz OVULQTZAAVNYSU-VIFPVBQESA-N -1 1 329.385 2.477 20 0 EEADMM C[C@H](NCc1n[nH]c(-c2ccccc2)n1)c1ncc(C(=O)[O-])s1 ZINC001609780199 1352083530 /nfs/dbraw/zinc/08/35/30/1352083530.db2.gz OVULQTZAAVNYSU-VIFPVBQESA-N -1 1 329.385 2.477 20 0 EEADMM C[C@](O)(CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001609785189 1352084963 /nfs/dbraw/zinc/08/49/63/1352084963.db2.gz QRNDSNUAHJSOPX-YJBOKZPZSA-N -1 1 329.400 2.439 20 0 EEADMM C[C@H](c1ccsc1)N1CCN(C[C@H]2[C@H](C(=O)[O-])C2(F)F)CC1 ZINC001609809942 1352090559 /nfs/dbraw/zinc/09/05/59/1352090559.db2.gz QFZPILVQKPIYDU-KGYLQXTDSA-N -1 1 330.400 2.393 20 0 EEADMM CC[C@@H](CO)N(C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001609924476 1352121323 /nfs/dbraw/zinc/12/13/23/1352121323.db2.gz VHZUXHMMZKKDRT-VIFPVBQESA-N -1 1 349.214 2.333 20 0 EEADMM CCCCCn1cc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)c(C)n1 ZINC001346722674 1337489737 /nfs/dbraw/zinc/48/97/37/1337489737.db2.gz VUOCBXVUKVRDDK-UHFFFAOYSA-N -1 1 349.460 2.404 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)nc1 ZINC001347343419 1337504909 /nfs/dbraw/zinc/50/49/09/1337504909.db2.gz TVRRNEAZMBWOSZ-UHFFFAOYSA-N -1 1 332.429 2.190 20 0 EEADMM O=C(C=Cc1ccccc1C(F)(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347974854 1337529016 /nfs/dbraw/zinc/52/90/16/1337529016.db2.gz PKAGGUDLRARLDA-GZTOBOFZSA-N -1 1 337.305 2.248 20 0 EEADMM O=C(C=Cc1ccccc1C(F)(F)F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347974890 1337529287 /nfs/dbraw/zinc/52/92/87/1337529287.db2.gz PKAGGUDLRARLDA-QRGHLMKCSA-N -1 1 337.305 2.248 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001348026498 1337532810 /nfs/dbraw/zinc/53/28/10/1337532810.db2.gz MWBXWYPLDWWHCY-LBPRGKRZSA-N -1 1 349.387 2.212 20 0 EEADMM CCOC(=O)C1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC001610015395 1352141290 /nfs/dbraw/zinc/14/12/90/1352141290.db2.gz YFFVWWPIBQNGCF-CYBMUJFWSA-N -1 1 335.400 2.314 20 0 EEADMM O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001350233639 1337685236 /nfs/dbraw/zinc/68/52/36/1337685236.db2.gz GGOBFYQLJYBVNI-SNVBAGLBSA-N -1 1 328.763 2.031 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847088568 1337863503 /nfs/dbraw/zinc/86/35/03/1337863503.db2.gz BQWGRVFSWFFBEO-IUCAKERBSA-N -1 1 334.203 2.455 20 0 EEADMM COc1ccc(CN(C)C(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001610330127 1352206558 /nfs/dbraw/zinc/20/65/58/1352206558.db2.gz NRTVSQDSXNRRNF-GOSISDBHSA-N -1 1 348.443 2.277 20 0 EEADMM CSCC(C)(C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339691 1338681844 /nfs/dbraw/zinc/68/18/44/1338681844.db2.gz MZJKDCFRHMFPPM-NXEZZACHSA-N -1 1 340.411 2.434 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC001610404831 1352217754 /nfs/dbraw/zinc/21/77/54/1352217754.db2.gz LTGYKSFIQKUCQE-UHFFFAOYSA-N -1 1 329.234 2.393 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](CCCO)C1 ZINC001610486775 1352231217 /nfs/dbraw/zinc/23/12/17/1352231217.db2.gz LOOPDRKYHDDZMP-KGLIPLIRSA-N -1 1 334.416 2.115 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@@H](C3CC3)CC2=O)C[C@@H]1c1ccccc1 ZINC001610802548 1352277353 /nfs/dbraw/zinc/27/73/53/1352277353.db2.gz OTBWSPKSBWHAJZ-GVDBMIGSSA-N -1 1 328.412 2.003 20 0 EEADMM CCCC1(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC001429607987 1339957771 /nfs/dbraw/zinc/95/77/71/1339957771.db2.gz WMPJFYWTWFUXML-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)[C@@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001431294276 1340539052 /nfs/dbraw/zinc/53/90/52/1340539052.db2.gz FRQONQDCUBMUCC-CYBMUJFWSA-N -1 1 333.432 2.094 20 0 EEADMM CN(C)c1nc(CCNC(=O)c2c(F)ccc([O-])c2F)cs1 ZINC001433664101 1341653206 /nfs/dbraw/zinc/65/32/06/1341653206.db2.gz YUWQMRWSHXNULV-UHFFFAOYSA-N -1 1 327.356 2.165 20 0 EEADMM CCC(CC)(NC(=O)[C@@H](C)OCc1ccc(F)cc1)c1nn[n-]n1 ZINC001433970763 1341734343 /nfs/dbraw/zinc/73/43/43/1341734343.db2.gz VWTWQDINLDEHQY-LLVKDONJSA-N -1 1 335.383 2.076 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC(c4ccc(F)cc4)C3)ccnc1-2 ZINC001434724437 1341927404 /nfs/dbraw/zinc/92/74/04/1341927404.db2.gz HPAGEQQJSWHOHZ-UHFFFAOYSA-N -1 1 325.347 2.112 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001434727303 1341929096 /nfs/dbraw/zinc/92/90/96/1341929096.db2.gz VVVQVRMFLAJSJX-WCBMZHEXSA-N -1 1 334.346 2.066 20 0 EEADMM CCc1cnc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC001435432451 1341987623 /nfs/dbraw/zinc/98/76/23/1341987623.db2.gz FGBHWKOTJPMRPH-UHFFFAOYSA-N -1 1 341.389 2.159 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577202823 1344103079 /nfs/dbraw/zinc/10/30/79/1344103079.db2.gz LCVVKTOWGKCVRN-NKWVEPMBSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577202823 1344103082 /nfs/dbraw/zinc/10/30/82/1344103082.db2.gz LCVVKTOWGKCVRN-NKWVEPMBSA-N -1 1 343.844 2.082 20 0 EEADMM CCN(Cc1ccccn1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001578178759 1344246841 /nfs/dbraw/zinc/24/68/41/1344246841.db2.gz JGNCBCVRJQKUSJ-UHFFFAOYSA-N -1 1 344.325 2.202 20 0 EEADMM CCN(Cc1ccccn1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001578178759 1344246847 /nfs/dbraw/zinc/24/68/47/1344246847.db2.gz JGNCBCVRJQKUSJ-UHFFFAOYSA-N -1 1 344.325 2.202 20 0 EEADMM CCOC(=O)c1sc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1C ZINC001578255710 1344255959 /nfs/dbraw/zinc/25/59/59/1344255959.db2.gz PDPJSMIDTMUZPM-UHFFFAOYSA-N -1 1 347.356 2.259 20 0 EEADMM CCOC(=O)c1sc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1C ZINC001578255710 1344255961 /nfs/dbraw/zinc/25/59/61/1344255961.db2.gz PDPJSMIDTMUZPM-UHFFFAOYSA-N -1 1 347.356 2.259 20 0 EEADMM CCO[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001578298133 1344262267 /nfs/dbraw/zinc/26/22/67/1344262267.db2.gz NSMFTSTYNXSCIL-ZETCQYMHSA-N -1 1 345.281 2.129 20 0 EEADMM CN(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC001578998065 1344328637 /nfs/dbraw/zinc/32/86/37/1344328637.db2.gz FVVBANPBIYXPJK-UHFFFAOYSA-N -1 1 346.391 2.063 20 0 EEADMM COc1cccc2c1CC[C@@]2(N)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001579291820 1344366788 /nfs/dbraw/zinc/36/67/88/1344366788.db2.gz RCFFMPDLGFIUDS-KRWDZBQOSA-N -1 1 334.322 2.418 20 0 EEADMM COC(=O)c1ccc(C[NH2+]Cc2csc(-c3nn[nH]n3)c2)c(F)c1 ZINC001579482188 1344388276 /nfs/dbraw/zinc/38/82/76/1344388276.db2.gz VRPDCSIPUIVIEB-UHFFFAOYSA-N -1 1 347.375 2.144 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580070766 1344464149 /nfs/dbraw/zinc/46/41/49/1344464149.db2.gz BGCKXEOTDSELTK-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580070766 1344464152 /nfs/dbraw/zinc/46/41/52/1344464152.db2.gz BGCKXEOTDSELTK-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1cc([O-])c(F)cc1F ZINC001582136974 1344705871 /nfs/dbraw/zinc/70/58/71/1344705871.db2.gz KGFYLEBZLVSISH-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1cccc(Cl)c1F ZINC001582138365 1344705997 /nfs/dbraw/zinc/70/59/97/1344705997.db2.gz BAUTVPVBBJITRQ-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1cccc(Cl)c1F ZINC001582138365 1344705999 /nfs/dbraw/zinc/70/59/99/1344705999.db2.gz BAUTVPVBBJITRQ-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(N=[S@]1(=O)CCc2ccccc21)c1csc(-c2nnn[n-]2)c1 ZINC001582217986 1344712371 /nfs/dbraw/zinc/71/23/71/1344712371.db2.gz PJPVZBRZAPEJSB-QHCPKHFHSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N=[S@]1(=O)CCc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001582217986 1344712375 /nfs/dbraw/zinc/71/23/75/1344712375.db2.gz PJPVZBRZAPEJSB-QHCPKHFHSA-N -1 1 345.409 2.152 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1csc(-c2nn[n-]n2)c1 ZINC001582338145 1344736682 /nfs/dbraw/zinc/73/66/82/1344736682.db2.gz XWKVXCHKXXLXAP-GWCFXTLKSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1coc(-c2nnn[n-]2)c1 ZINC001582634398 1344772089 /nfs/dbraw/zinc/77/20/89/1344772089.db2.gz MQIQNKGATNRUMB-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1coc(-c2nn[n-]n2)c1 ZINC001582634398 1344772093 /nfs/dbraw/zinc/77/20/93/1344772093.db2.gz MQIQNKGATNRUMB-UHFFFAOYSA-N -1 1 347.718 2.137 20 0 EEADMM CC[C@H](C)[C@H](OC)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340010 1373135928 /nfs/dbraw/zinc/13/59/28/1373135928.db2.gz WDLYLCROEJBFKY-QCNOEVLYSA-N -1 1 338.370 2.106 20 0 EEADMM CC(=O)CC(C)(C)CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001588787914 1348937457 /nfs/dbraw/zinc/93/74/57/1348937457.db2.gz ZGGFAJRKZROGBL-UHFFFAOYSA-N -1 1 342.812 2.311 20 0 EEADMM CC(=O)Nc1ccc(CCNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001588876189 1348939951 /nfs/dbraw/zinc/93/99/51/1348939951.db2.gz NQUFMCDCJQDDSI-UHFFFAOYSA-N -1 1 343.416 2.245 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001589092185 1348957881 /nfs/dbraw/zinc/95/78/81/1348957881.db2.gz CEULXILCJWLCTH-UHFFFAOYSA-N -1 1 327.310 2.417 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001589092185 1348957883 /nfs/dbraw/zinc/95/78/83/1348957883.db2.gz CEULXILCJWLCTH-UHFFFAOYSA-N -1 1 327.310 2.417 20 0 EEADMM CC(C)(C)c1csc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001589237450 1348973814 /nfs/dbraw/zinc/97/38/14/1348973814.db2.gz UANCDGOCENQHEZ-UHFFFAOYSA-N -1 1 343.416 2.197 20 0 EEADMM CC(C)(C)c1csc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001589237450 1348973815 /nfs/dbraw/zinc/97/38/15/1348973815.db2.gz UANCDGOCENQHEZ-UHFFFAOYSA-N -1 1 343.416 2.197 20 0 EEADMM CC(C)CCN(c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C)C1CC1 ZINC001589601923 1349008160 /nfs/dbraw/zinc/00/81/60/1349008160.db2.gz IPJLLXWOPILHCG-UHFFFAOYSA-N -1 1 342.407 2.270 20 0 EEADMM CC(C)CCN(c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C)C1CC1 ZINC001589601923 1349008165 /nfs/dbraw/zinc/00/81/65/1349008165.db2.gz IPJLLXWOPILHCG-UHFFFAOYSA-N -1 1 342.407 2.270 20 0 EEADMM CC(C)Cn1nccc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589671385 1349018356 /nfs/dbraw/zinc/01/83/56/1349018356.db2.gz DDAWSJOFUCSGKS-UHFFFAOYSA-N -1 1 332.389 2.138 20 0 EEADMM CC1(C)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001590095855 1349152354 /nfs/dbraw/zinc/15/23/54/1349152354.db2.gz BTQCEXRRUWNUIH-UHFFFAOYSA-N -1 1 333.421 2.011 20 0 EEADMM CC1(C)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001590095855 1349152359 /nfs/dbraw/zinc/15/23/59/1349152359.db2.gz BTQCEXRRUWNUIH-UHFFFAOYSA-N -1 1 333.421 2.011 20 0 EEADMM CC1(CCC(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)CC1 ZINC001590123823 1349163878 /nfs/dbraw/zinc/16/38/78/1349163878.db2.gz UWOYKUSLMAKUIX-UHFFFAOYSA-N -1 1 346.460 2.157 20 0 EEADMM C[C@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CC1 ZINC001590150858 1349176624 /nfs/dbraw/zinc/17/66/24/1349176624.db2.gz QNNTTWSSFYXPGZ-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CC1 ZINC001590150858 1349176628 /nfs/dbraw/zinc/17/66/28/1349176628.db2.gz QNNTTWSSFYXPGZ-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590250546 1349226710 /nfs/dbraw/zinc/22/67/10/1349226710.db2.gz FPFZNRIEQQCSHU-VHSXEESVSA-N -1 1 334.811 2.471 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590252823 1349228501 /nfs/dbraw/zinc/22/85/01/1349228501.db2.gz DJJBAWLPJJLRCC-WDEREUQCSA-N -1 1 332.433 2.049 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590252823 1349228507 /nfs/dbraw/zinc/22/85/07/1349228507.db2.gz DJJBAWLPJJLRCC-WDEREUQCSA-N -1 1 332.433 2.049 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C[C@H](C)C1(F)F ZINC001590298279 1349250511 /nfs/dbraw/zinc/25/05/11/1349250511.db2.gz JGGJTBIKEQIKKU-YUMQZZPRSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)C1(F)F ZINC001590298279 1349250515 /nfs/dbraw/zinc/25/05/15/1349250515.db2.gz JGGJTBIKEQIKKU-YUMQZZPRSA-N -1 1 327.360 2.292 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)C[C@@H](c2ccccc2)O1 ZINC001590300854 1349252576 /nfs/dbraw/zinc/25/25/76/1349252576.db2.gz KJVCTUFMNBPZTI-ABAIWWIYSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)C[C@@H](c2ccccc2)O1 ZINC001590300854 1349252581 /nfs/dbraw/zinc/25/25/81/1349252581.db2.gz KJVCTUFMNBPZTI-ABAIWWIYSA-N -1 1 339.355 2.062 20 0 EEADMM C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)[C@H](c2ccccc2)CO1 ZINC001590310489 1349258811 /nfs/dbraw/zinc/25/88/11/1349258811.db2.gz VWUWYVGAWZIRCS-GUYCJALGSA-N -1 1 336.399 2.224 20 0 EEADMM CC[C@@H](C)CCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590408877 1349310189 /nfs/dbraw/zinc/31/01/89/1349310189.db2.gz YJFPKBPYKGEKPT-SNVBAGLBSA-N -1 1 330.392 2.099 20 0 EEADMM CC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC001590477138 1349348729 /nfs/dbraw/zinc/34/87/29/1349348729.db2.gz NUKJHBJCBJKKHD-ZDUSSCGKSA-N -1 1 347.419 2.495 20 0 EEADMM CCO[C@@H](CNc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccccc1 ZINC001590785162 1349398359 /nfs/dbraw/zinc/39/83/59/1349398359.db2.gz DWJBPIFMVYCDLD-AWEZNQCLSA-N -1 1 339.403 2.409 20 0 EEADMM CCO[C@@H](CNc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccccc1 ZINC001590785162 1349398367 /nfs/dbraw/zinc/39/83/67/1349398367.db2.gz DWJBPIFMVYCDLD-AWEZNQCLSA-N -1 1 339.403 2.409 20 0 EEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850645 1349404653 /nfs/dbraw/zinc/40/46/53/1349404653.db2.gz MBPIEBDFBAGSAY-JQWIXIFHSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590850645 1349404656 /nfs/dbraw/zinc/40/46/56/1349404656.db2.gz MBPIEBDFBAGSAY-JQWIXIFHSA-N -1 1 347.448 2.448 20 0 EEADMM CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001590943246 1349422182 /nfs/dbraw/zinc/42/21/82/1349422182.db2.gz ZQJDYSUVHIZKBB-HBNTYKKESA-N -1 1 342.407 2.219 20 0 EEADMM CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001590943246 1349422189 /nfs/dbraw/zinc/42/21/89/1349422189.db2.gz ZQJDYSUVHIZKBB-HBNTYKKESA-N -1 1 342.407 2.219 20 0 EEADMM COc1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001591605300 1349513325 /nfs/dbraw/zinc/51/33/25/1349513325.db2.gz CKRUDBZJTQBSRA-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001591605300 1349513334 /nfs/dbraw/zinc/51/33/34/1349513334.db2.gz CKRUDBZJTQBSRA-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccccc1C1(NC(=O)c2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001591648764 1349523917 /nfs/dbraw/zinc/52/39/17/1349523917.db2.gz KBRYQZMOOIZLOK-UHFFFAOYSA-N -1 1 339.355 2.278 20 0 EEADMM COc1ccccc1C1(NC(=O)c2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001591648764 1349523923 /nfs/dbraw/zinc/52/39/23/1349523923.db2.gz KBRYQZMOOIZLOK-UHFFFAOYSA-N -1 1 339.355 2.278 20 0 EEADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001592201253 1349607299 /nfs/dbraw/zinc/60/72/99/1349607299.db2.gz PUWCXEHVIGBBRA-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001592201253 1349607308 /nfs/dbraw/zinc/60/73/08/1349607308.db2.gz PUWCXEHVIGBBRA-CQSZACIVSA-N -1 1 335.371 2.379 20 0 EEADMM Cc1cccc(C2(NC(=O)c3ccnc(-c4nnn[n-]4)c3)CCC2)c1 ZINC001592227776 1349612435 /nfs/dbraw/zinc/61/24/35/1349612435.db2.gz VJJLCAKFEOFOBK-UHFFFAOYSA-N -1 1 334.383 2.379 20 0 EEADMM Cc1cccc(C2(NC(=O)c3ccnc(-c4nn[n-]n4)c3)CCC2)c1 ZINC001592227776 1349612436 /nfs/dbraw/zinc/61/24/36/1349612436.db2.gz VJJLCAKFEOFOBK-UHFFFAOYSA-N -1 1 334.383 2.379 20 0 EEADMM Cc1ccccc1OCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592261810 1349614219 /nfs/dbraw/zinc/61/42/19/1349614219.db2.gz WCDKYEUTELSELQ-UHFFFAOYSA-N -1 1 339.355 2.288 20 0 EEADMM Cc1nsc(NC[C@@H]2CCc3ccccc3N2)c1-c1nn[n-]n1 ZINC001592488346 1349636041 /nfs/dbraw/zinc/63/60/41/1349636041.db2.gz AMYXHRIGICBJFI-NSHDSACASA-N -1 1 327.417 2.470 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC001592503588 1349640011 /nfs/dbraw/zinc/64/00/11/1349640011.db2.gz TWJMTMULQQNAQN-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(-c2ccccc2)c1 ZINC001592503588 1349640013 /nfs/dbraw/zinc/64/00/13/1349640013.db2.gz TWJMTMULQQNAQN-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2NC(C)C)c1-c1nnn[n-]1 ZINC001592516893 1349644393 /nfs/dbraw/zinc/64/43/93/1349644393.db2.gz LJBGOJPBWSEXHF-UHFFFAOYSA-N -1 1 341.375 2.165 20 0 EEADMM Cc1onc(CC(=O)Nc2ccccc2NC(C)C)c1-c1nn[n-]n1 ZINC001592516893 1349644395 /nfs/dbraw/zinc/64/43/95/1349644395.db2.gz LJBGOJPBWSEXHF-UHFFFAOYSA-N -1 1 341.375 2.165 20 0 EEADMM Cc1ocnc1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)n1 ZINC001592514962 1349644516 /nfs/dbraw/zinc/64/45/16/1349644516.db2.gz SJCDSIIZNKDQJM-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Cc1ocnc1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)n1 ZINC001592514962 1349644517 /nfs/dbraw/zinc/64/45/17/1349644517.db2.gz SJCDSIIZNKDQJM-UHFFFAOYSA-N -1 1 325.254 2.189 20 0 EEADMM Clc1ccc2c(c1)CN(Cc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001592532689 1349649388 /nfs/dbraw/zinc/64/93/88/1349649388.db2.gz CMGUMFVEUPZVQS-UHFFFAOYSA-N -1 1 326.791 2.473 20 0 EEADMM Clc1nsc(N2CC[C@H](c3ccccn3)C2)c1-c1nnn[n-]1 ZINC001592538557 1349652202 /nfs/dbraw/zinc/65/22/02/1349652202.db2.gz XDVCUWJCIHZZJB-QMMMGPOBSA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nsc(N2CC[C@H](c3ccccn3)C2)c1-c1nn[n-]n1 ZINC001592538557 1349652203 /nfs/dbraw/zinc/65/22/03/1349652203.db2.gz XDVCUWJCIHZZJB-QMMMGPOBSA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nc(Oc2ccc(-n3cncn3)cc2)sc1-c1nnn[n-]1 ZINC001592539726 1349653051 /nfs/dbraw/zinc/65/30/51/1349653051.db2.gz ZMIBXNAZPYTOJU-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nc(Oc2ccc(-n3cncn3)cc2)sc1-c1nn[n-]n1 ZINC001592539726 1349653053 /nfs/dbraw/zinc/65/30/53/1349653053.db2.gz ZMIBXNAZPYTOJU-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM Clc1nc(NCCn2cnc3ccccc32)sc1-c1nnn[n-]1 ZINC001592540424 1349653217 /nfs/dbraw/zinc/65/32/17/1349653217.db2.gz KQRBRMLHULXZNE-UHFFFAOYSA-N -1 1 346.807 2.438 20 0 EEADMM Clc1nc(NCCn2cnc3ccccc32)sc1-c1nn[n-]n1 ZINC001592540424 1349653218 /nfs/dbraw/zinc/65/32/18/1349653218.db2.gz KQRBRMLHULXZNE-UHFFFAOYSA-N -1 1 346.807 2.438 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001592624864 1349677609 /nfs/dbraw/zinc/67/76/09/1349677609.db2.gz OIHBVZFGVRPQTL-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM FC(F)[C@H](CCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001592624864 1349677613 /nfs/dbraw/zinc/67/76/13/1349677613.db2.gz OIHBVZFGVRPQTL-NSHDSACASA-N -1 1 331.330 2.335 20 0 EEADMM Fc1cc(F)cc(C(F)(F)CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592641919 1349689160 /nfs/dbraw/zinc/68/91/60/1349689160.db2.gz DAJVEHFENJEPOM-UHFFFAOYSA-N -1 1 338.268 2.166 20 0 EEADMM Fc1cc(F)cc(C(F)(F)CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592641919 1349689164 /nfs/dbraw/zinc/68/91/64/1349689164.db2.gz DAJVEHFENJEPOM-UHFFFAOYSA-N -1 1 338.268 2.166 20 0 EEADMM Fc1ccc(F)c(C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001592649150 1349694014 /nfs/dbraw/zinc/69/40/14/1349694014.db2.gz GSDDXBWDOINEIN-LBPRGKRZSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(F)c(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001592649150 1349694020 /nfs/dbraw/zinc/69/40/20/1349694020.db2.gz GSDDXBWDOINEIN-LBPRGKRZSA-N -1 1 343.341 2.146 20 0 EEADMM Fc1ccc(OCc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)n1 ZINC001592652328 1349696850 /nfs/dbraw/zinc/69/68/50/1349696850.db2.gz FFYPKQDYZWCKPA-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1ccc(OCc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)n1 ZINC001592652328 1349696857 /nfs/dbraw/zinc/69/68/57/1349696857.db2.gz FFYPKQDYZWCKPA-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1cccc([C@H](Nc2ncncc2-c2nn[n-]n2)c2ccccn2)c1 ZINC001592655745 1349700191 /nfs/dbraw/zinc/70/01/91/1349700191.db2.gz VUMNFOQFKNYXOC-HNNXBMFYSA-N -1 1 348.345 2.392 20 0 EEADMM O=C(CC1(C(F)(F)F)CC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592805183 1349715917 /nfs/dbraw/zinc/71/59/17/1349715917.db2.gz GPWJREYNCJPABC-UHFFFAOYSA-N -1 1 327.266 2.243 20 0 EEADMM O=C(CCCc1cccs1)OCc1cccnc1-c1nnn[n-]1 ZINC001592838804 1349718079 /nfs/dbraw/zinc/71/80/79/1349718079.db2.gz DLIBUNINVHOFOY-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(CCCc1cccs1)OCc1cccnc1-c1nn[n-]n1 ZINC001592838804 1349718081 /nfs/dbraw/zinc/71/80/81/1349718081.db2.gz DLIBUNINVHOFOY-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001592976026 1349731831 /nfs/dbraw/zinc/73/18/31/1349731831.db2.gz FBSWJICRYPDGGP-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001592976026 1349731835 /nfs/dbraw/zinc/73/18/35/1349731835.db2.gz FBSWJICRYPDGGP-AWEZNQCLSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCCC[C@H]1C=CCC1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593067110 1349736458 /nfs/dbraw/zinc/73/64/58/1349736458.db2.gz UNKRCRJZCOADJX-JTQLQIEISA-N -1 1 332.795 2.391 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn(-c2ccccc2)cn1 ZINC001593203157 1349745657 /nfs/dbraw/zinc/74/56/57/1349745657.db2.gz IKRVVUBRQSJXGE-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1ccccn1 ZINC001593244341 1349749443 /nfs/dbraw/zinc/74/94/43/1349749443.db2.gz OMHIVLNWTNNBCP-ZDUSSCGKSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ccccn1 ZINC001593244341 1349749449 /nfs/dbraw/zinc/74/94/49/1349749449.db2.gz OMHIVLNWTNNBCP-ZDUSSCGKSA-N -1 1 336.359 2.026 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)nc1Cl ZINC001593245439 1349749865 /nfs/dbraw/zinc/74/98/65/1349749865.db2.gz MHVXDXSWIAFDGQ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)nc1Cl ZINC001593245439 1349749866 /nfs/dbraw/zinc/74/98/66/1349749866.db2.gz MHVXDXSWIAFDGQ-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC12CCC(CC1)C2 ZINC001593264762 1349755645 /nfs/dbraw/zinc/75/56/45/1349755645.db2.gz WBXLLLKVUBNPPH-UHFFFAOYSA-N -1 1 339.812 2.431 20 0 EEADMM O=C(OCC[C@H]1CC1(Cl)Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593286301 1349763828 /nfs/dbraw/zinc/76/38/28/1349763828.db2.gz HREYVTKJCJULBD-ZETCQYMHSA-N -1 1 328.159 2.002 20 0 EEADMM O=C(OCC[C@H]1CC1(Cl)Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593286301 1349763834 /nfs/dbraw/zinc/76/38/34/1349763834.db2.gz HREYVTKJCJULBD-ZETCQYMHSA-N -1 1 328.159 2.002 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593308873 1349778102 /nfs/dbraw/zinc/77/81/02/1349778102.db2.gz PPSVPVOIMCGTHX-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC=CC12CCCC2 ZINC001593329920 1349782051 /nfs/dbraw/zinc/78/20/51/1349782051.db2.gz ZNBXNESPOPXKJV-UHFFFAOYSA-N -1 1 331.326 2.470 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC=CC12CCCC2 ZINC001593329920 1349782056 /nfs/dbraw/zinc/78/20/56/1349782056.db2.gz ZNBXNESPOPXKJV-UHFFFAOYSA-N -1 1 331.326 2.470 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc2C1 ZINC001593461226 1349802582 /nfs/dbraw/zinc/80/25/82/1349802582.db2.gz SCRPSPCEKCWDGH-IZHWHUGBSA-N -1 1 339.424 2.068 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc2C1 ZINC001593461226 1349802587 /nfs/dbraw/zinc/80/25/87/1349802587.db2.gz SCRPSPCEKCWDGH-IZHWHUGBSA-N -1 1 339.424 2.068 20 0 EEADMM O=c1[nH]c2cc(CNc3snc(Cl)c3-c3nnn[n-]3)ccc2o1 ZINC001593488225 1349816219 /nfs/dbraw/zinc/81/62/19/1349816219.db2.gz GWMJFXOQIKURDT-UHFFFAOYSA-N -1 1 349.763 2.436 20 0 EEADMM O=c1[nH]c2cc(CNc3snc(Cl)c3-c3nn[n-]n3)ccc2o1 ZINC001593488225 1349816223 /nfs/dbraw/zinc/81/62/23/1349816223.db2.gz GWMJFXOQIKURDT-UHFFFAOYSA-N -1 1 349.763 2.436 20 0 EEADMM O[C@@H](CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1ccco1 ZINC001593505601 1349822411 /nfs/dbraw/zinc/82/24/11/1349822411.db2.gz CHHHJLXVWNCCTJ-VIFPVBQESA-N -1 1 340.265 2.019 20 0 EEADMM O[C@@H](CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1ccco1 ZINC001593505601 1349822413 /nfs/dbraw/zinc/82/24/13/1349822413.db2.gz CHHHJLXVWNCCTJ-VIFPVBQESA-N -1 1 340.265 2.019 20 0 EEADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593518329 1349829388 /nfs/dbraw/zinc/82/93/88/1349829388.db2.gz WJBSCGLGQOILSC-YPMHNXCESA-N -1 1 342.790 2.227 20 0 EEADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593518329 1349829393 /nfs/dbraw/zinc/82/93/93/1349829393.db2.gz WJBSCGLGQOILSC-YPMHNXCESA-N -1 1 342.790 2.227 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001593573129 1349857012 /nfs/dbraw/zinc/85/70/12/1349857012.db2.gz MFYZDMOJJXHPIL-YOEHRIQHSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001593573129 1349857015 /nfs/dbraw/zinc/85/70/15/1349857015.db2.gz MFYZDMOJJXHPIL-YOEHRIQHSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001593579864 1349860268 /nfs/dbraw/zinc/86/02/68/1349860268.db2.gz FAGUBFKSBVAXMC-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001593579864 1349860270 /nfs/dbraw/zinc/86/02/70/1349860270.db2.gz FAGUBFKSBVAXMC-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM c1csc(Cc2nc(Sc3ccnc(-c4nn[n-]n4)c3)n[nH]2)c1 ZINC001593588911 1349867938 /nfs/dbraw/zinc/86/79/38/1349867938.db2.gz IGTSHNRSCMXZAL-UHFFFAOYSA-N -1 1 342.413 2.183 20 0 EEADMM c1coc(-c2nc(CNc3ccnc(-c4nnn[n-]4)c3)cs2)c1 ZINC001593589636 1349868317 /nfs/dbraw/zinc/86/83/17/1349868317.db2.gz JMJSTAJDLMJOPN-UHFFFAOYSA-N -1 1 325.357 2.012 20 0 EEADMM c1coc(-c2nc(CNc3ccnc(-c4nn[n-]n4)c3)cs2)c1 ZINC001593589636 1349868321 /nfs/dbraw/zinc/86/83/21/1349868321.db2.gz JMJSTAJDLMJOPN-UHFFFAOYSA-N -1 1 325.357 2.012 20 0 EEADMM Cc1ccc(-c2n[nH]cc2CN2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1 ZINC001600316483 1350018910 /nfs/dbraw/zinc/01/89/10/1350018910.db2.gz WYNQABVZJWLXGL-UHFFFAOYSA-N -1 1 337.383 2.406 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2c[nH]c(C(=O)[O-])c2)N2CCCC2)o1 ZINC001600377037 1350034272 /nfs/dbraw/zinc/03/42/72/1350034272.db2.gz GTDCYDWMSQUMPM-CQSZACIVSA-N -1 1 331.372 2.181 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)[nH]1 ZINC001600514023 1350070527 /nfs/dbraw/zinc/07/05/27/1350070527.db2.gz BZDATYNBUBAKLY-CYBMUJFWSA-N -1 1 348.428 2.236 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)C[C@H]1CCOC1 ZINC001600651356 1350107789 /nfs/dbraw/zinc/10/77/89/1350107789.db2.gz LHHJGWBFSJBBAG-GHMZBOCLSA-N -1 1 326.418 2.050 20 0 EEADMM O=C([O-])c1ncoc1CCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC001601297945 1350251970 /nfs/dbraw/zinc/25/19/70/1350251970.db2.gz MSLPVCGFPDTSSF-CQSZACIVSA-N -1 1 344.367 2.123 20 0 EEADMM O=C([O-])[C@H](NCC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC001601323280 1350257013 /nfs/dbraw/zinc/25/70/13/1350257013.db2.gz UQBWQZMUJZKBDS-QZTJIDSGSA-N -1 1 330.428 2.487 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1n[nH]nc1-c1ccccc1)c1ccccc1 ZINC001601456249 1350287631 /nfs/dbraw/zinc/28/76/31/1350287631.db2.gz WTKLDKXXRYRPEZ-CQSZACIVSA-N -1 1 336.351 2.070 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cnn4c3CCCC4)[nH]c21 ZINC001601630211 1350323289 /nfs/dbraw/zinc/32/32/89/1350323289.db2.gz BORVJQRCOMGYSL-UHFFFAOYSA-N -1 1 325.328 2.046 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692329 1350339975 /nfs/dbraw/zinc/33/99/75/1350339975.db2.gz ZSHPUMZVXBMRKJ-KCJUWKMLSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])C1([C@]2(O)CCCN(Cc3cn4cccc(F)c4n3)C2)CCC1 ZINC001601705547 1350343507 /nfs/dbraw/zinc/34/35/07/1350343507.db2.gz GDMVNGDOSINBLE-SFHVURJKSA-N -1 1 347.390 2.055 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc3cnccc31)C[C@@H]2C(=O)[O-] ZINC001601777958 1350362374 /nfs/dbraw/zinc/36/23/74/1350362374.db2.gz BBNBNRPLZVBRQA-NLGTXKQRSA-N -1 1 340.379 2.232 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1ncn[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001601907982 1350395012 /nfs/dbraw/zinc/39/50/12/1350395012.db2.gz WUTOMDUXNYJHPO-OAHLLOKOSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1nc[nH]n1)c1ccc(-c2ccccc2)cc1 ZINC001601907982 1350395016 /nfs/dbraw/zinc/39/50/16/1350395016.db2.gz WUTOMDUXNYJHPO-OAHLLOKOSA-N -1 1 336.351 2.418 20 0 EEADMM O=C([O-])CCNC(=O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC001602021220 1350420269 /nfs/dbraw/zinc/42/02/69/1350420269.db2.gz APLMXFBPISCHHZ-UHFFFAOYSA-N -1 1 341.411 2.005 20 0 EEADMM O=C([O-])CN(C(=O)c1ccc(Cc2nc[nH]n2)cc1)c1ccccc1 ZINC001602051697 1350427181 /nfs/dbraw/zinc/42/71/81/1350427181.db2.gz WGQMIUARWFQAMM-UHFFFAOYSA-N -1 1 336.351 2.127 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC001602095938 1350436648 /nfs/dbraw/zinc/43/66/48/1350436648.db2.gz VTFJUOFIIRRVQA-UHFFFAOYSA-N -1 1 338.323 2.187 20 0 EEADMM O=C([O-])Cn1ncc2ccc(NC(=O)c3c(O)cccc3F)cc21 ZINC001602168552 1350456460 /nfs/dbraw/zinc/45/64/60/1350456460.db2.gz OTUGOXHKIDEFTD-UHFFFAOYSA-N -1 1 329.287 2.218 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001602425660 1350516334 /nfs/dbraw/zinc/51/63/34/1350516334.db2.gz GRWHVQAPCDWENX-MRXNPFEDSA-N -1 1 338.367 2.240 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC001602426739 1350516824 /nfs/dbraw/zinc/51/68/24/1350516824.db2.gz ZJMCFBLTAZVVPR-OAHLLOKOSA-N -1 1 329.400 2.441 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)n1 ZINC001602437712 1350519321 /nfs/dbraw/zinc/51/93/21/1350519321.db2.gz BLWJRDSQJJNISH-UHFFFAOYSA-N -1 1 341.415 2.087 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001602952988 1350609711 /nfs/dbraw/zinc/60/97/11/1350609711.db2.gz SFQJKRSOJVHAOJ-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001602952988 1350609714 /nfs/dbraw/zinc/60/97/14/1350609714.db2.gz SFQJKRSOJVHAOJ-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)NCC[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001603045366 1350626757 /nfs/dbraw/zinc/62/67/57/1350626757.db2.gz UEWPXZZUWZUIET-JQWIXIFHSA-N -1 1 325.434 2.141 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001603181953 1350657495 /nfs/dbraw/zinc/65/74/95/1350657495.db2.gz FLSNUMBZCSFXJZ-LLVKDONJSA-N -1 1 347.448 2.001 20 0 EEADMM CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001603387653 1350699578 /nfs/dbraw/zinc/69/95/78/1350699578.db2.gz AATOUNKMEPHTAV-RVMXOQNASA-N -1 1 347.423 2.023 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001603421240 1350702758 /nfs/dbraw/zinc/70/27/58/1350702758.db2.gz PHLGWFKGBSQLPH-SSDOTTSWSA-N -1 1 334.361 2.353 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001603421240 1350702764 /nfs/dbraw/zinc/70/27/64/1350702764.db2.gz PHLGWFKGBSQLPH-SSDOTTSWSA-N -1 1 334.361 2.353 20 0 EEADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cc(F)ccc1N(C)C ZINC001603686830 1350742375 /nfs/dbraw/zinc/74/23/75/1350742375.db2.gz PRWNYNKKAVFIRI-VIFPVBQESA-N -1 1 328.355 2.035 20 0 EEADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cc(F)ccc1N(C)C ZINC001603686830 1350742378 /nfs/dbraw/zinc/74/23/78/1350742378.db2.gz PRWNYNKKAVFIRI-VIFPVBQESA-N -1 1 328.355 2.035 20 0 EEADMM CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001603784967 1350767683 /nfs/dbraw/zinc/76/76/83/1350767683.db2.gz SKVVHOOXENJVCS-OAHLLOKOSA-N -1 1 339.480 2.393 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@@H](C)C1 ZINC001603845843 1350781267 /nfs/dbraw/zinc/78/12/67/1350781267.db2.gz MSUVHAVRBUAXPD-MYJAWHEDSA-N -1 1 334.811 2.470 20 0 EEADMM CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC001604051050 1350839396 /nfs/dbraw/zinc/83/93/96/1350839396.db2.gz PJYSCDPKLFFHQA-SNVBAGLBSA-N -1 1 332.389 2.414 20 0 EEADMM CCCC(=O)N1CC[C@H]([C@@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604120949 1350865407 /nfs/dbraw/zinc/86/54/07/1350865407.db2.gz ZYMQQPNNRGJCKX-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM CCCCCC[C@@H](C)NC(=O)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604176730 1350884000 /nfs/dbraw/zinc/88/40/00/1350884000.db2.gz XQYYEMLHBLRROY-LLVKDONJSA-N -1 1 349.391 2.092 20 0 EEADMM CCCCCC[C@@H](C)NC(=O)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604176730 1350884004 /nfs/dbraw/zinc/88/40/04/1350884004.db2.gz XQYYEMLHBLRROY-LLVKDONJSA-N -1 1 349.391 2.092 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C12CCCCC2 ZINC001604409697 1350931541 /nfs/dbraw/zinc/93/15/41/1350931541.db2.gz XERXQWNVBKGARZ-ZIAGYGMSSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C12CCCCC2 ZINC001604409697 1350931543 /nfs/dbraw/zinc/93/15/43/1350931543.db2.gz XERXQWNVBKGARZ-ZIAGYGMSSA-N -1 1 343.435 2.221 20 0 EEADMM CCOCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001604431915 1350936830 /nfs/dbraw/zinc/93/68/30/1350936830.db2.gz AWZJVAOAYUGXJT-UHFFFAOYSA-N -1 1 349.416 2.054 20 0 EEADMM CCOCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC001604431915 1350936832 /nfs/dbraw/zinc/93/68/32/1350936832.db2.gz AWZJVAOAYUGXJT-UHFFFAOYSA-N -1 1 349.416 2.054 20 0 EEADMM CCc1ccccc1CNc1ccc(C(=O)OC)nc1-c1nnn[n-]1 ZINC001604533576 1350956492 /nfs/dbraw/zinc/95/64/92/1350956492.db2.gz SXWFSVMMVCMCQE-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM CCc1ccccc1CNc1ccc(C(=O)OC)nc1-c1nn[n-]n1 ZINC001604533576 1350956494 /nfs/dbraw/zinc/95/64/94/1350956494.db2.gz SXWFSVMMVCMCQE-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM CCc1nc(N[C@@H](C)c2ccc(OC)cc2)cc(-c2nnn[n-]2)n1 ZINC001604556053 1350960400 /nfs/dbraw/zinc/96/04/00/1350960400.db2.gz PZELEFKORXPGPL-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM CCc1nc(N[C@@H](C)c2ccc(OC)cc2)cc(-c2nn[n-]n2)n1 ZINC001604556053 1350960404 /nfs/dbraw/zinc/96/04/04/1350960404.db2.gz PZELEFKORXPGPL-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM C[C@]1(c2ccccc2)CCN(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC001604603575 1350968099 /nfs/dbraw/zinc/96/80/99/1350968099.db2.gz SRKVWHHWZXPPAP-QFBILLFUSA-N -1 1 330.428 2.463 20 0 EEADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC001604660125 1350979643 /nfs/dbraw/zinc/97/96/43/1350979643.db2.gz CNBNHTALDCZRTR-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC001604660125 1350979645 /nfs/dbraw/zinc/97/96/45/1350979645.db2.gz CNBNHTALDCZRTR-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001604816903 1351014471 /nfs/dbraw/zinc/01/44/71/1351014471.db2.gz LVEZFGNMBBAXCO-GOEBONIOSA-N -1 1 349.427 2.158 20 0 EEADMM CN(Cc1nc2c(s1)CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001604823630 1351015474 /nfs/dbraw/zinc/01/54/74/1351015474.db2.gz ISVRCHGKMBLJQY-UHFFFAOYSA-N -1 1 327.417 2.233 20 0 EEADMM CN(Cc1nc2c(s1)CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001604823630 1351015476 /nfs/dbraw/zinc/01/54/76/1351015476.db2.gz ISVRCHGKMBLJQY-UHFFFAOYSA-N -1 1 327.417 2.233 20 0 EEADMM CC[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001604871423 1351023130 /nfs/dbraw/zinc/02/31/30/1351023130.db2.gz HMEDHCYCSPVUCV-SJORKVTESA-N -1 1 332.444 2.466 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001604974918 1351042776 /nfs/dbraw/zinc/04/27/76/1351042776.db2.gz OMEACUKBBOSQBD-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@H](C)[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001604974918 1351042782 /nfs/dbraw/zinc/04/27/82/1351042782.db2.gz OMEACUKBBOSQBD-HBNTYKKESA-N -1 1 330.392 2.285 20 0 EEADMM COc1cc(C)ccc1-c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001605203086 1351101555 /nfs/dbraw/zinc/10/15/55/1351101555.db2.gz UGKRETVGVSPQRY-UHFFFAOYSA-N -1 1 335.327 2.296 20 0 EEADMM COc1cc(C)ccc1-c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001605203086 1351101560 /nfs/dbraw/zinc/10/15/60/1351101560.db2.gz UGKRETVGVSPQRY-UHFFFAOYSA-N -1 1 335.327 2.296 20 0 EEADMM COc1ccc(C)c2c1N(C(=O)c1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001605263997 1351118802 /nfs/dbraw/zinc/11/88/02/1351118802.db2.gz HAXXMUNAVFMEFS-UHFFFAOYSA-N -1 1 339.355 2.370 20 0 EEADMM CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001605337209 1351139986 /nfs/dbraw/zinc/13/99/86/1351139986.db2.gz JVZRORXEJYSXTE-WMLDXEAASA-N -1 1 348.443 2.024 20 0 EEADMM CSCC(C)(C)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605371340 1351146833 /nfs/dbraw/zinc/14/68/33/1351146833.db2.gz XPFSGEYGFKCNHR-UHFFFAOYSA-N -1 1 332.842 2.304 20 0 EEADMM CSc1cccnc1[N-]C(=O)c1cc(-c2nn[nH]n2)ccc1F ZINC001605390423 1351151984 /nfs/dbraw/zinc/15/19/84/1351151984.db2.gz UWPAWDQOQAJOHV-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)nn1C ZINC001605464926 1351163423 /nfs/dbraw/zinc/16/34/23/1351163423.db2.gz CSZFNHVIEWGAKW-JOCQHMNTSA-N -1 1 343.435 2.454 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)nn1C ZINC001605464926 1351163425 /nfs/dbraw/zinc/16/34/25/1351163425.db2.gz CSZFNHVIEWGAKW-JOCQHMNTSA-N -1 1 343.435 2.454 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC001605510928 1351174520 /nfs/dbraw/zinc/17/45/20/1351174520.db2.gz OPYFIDONTXPQKL-ZBFHGGJFSA-N -1 1 337.383 2.257 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001605555029 1351189611 /nfs/dbraw/zinc/18/96/11/1351189611.db2.gz ZKRPRYZPHQGNHG-VIFPVBQESA-N -1 1 331.330 2.441 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC001605555029 1351189615 /nfs/dbraw/zinc/18/96/15/1351189615.db2.gz ZKRPRYZPHQGNHG-VIFPVBQESA-N -1 1 331.330 2.441 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001605562234 1351190803 /nfs/dbraw/zinc/19/08/03/1351190803.db2.gz GDGCESKNRBSXIL-HNNXBMFYSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001605562234 1351190806 /nfs/dbraw/zinc/19/08/06/1351190806.db2.gz GDGCESKNRBSXIL-HNNXBMFYSA-N -1 1 336.399 2.018 20 0 EEADMM CCO[C@@H]1COCC[C@H]1N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001605615194 1351201827 /nfs/dbraw/zinc/20/18/27/1351201827.db2.gz CGHHCRCFPUCLCP-YRGRVCCFSA-N -1 1 331.771 2.388 20 0 EEADMM CC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001605748148 1351220976 /nfs/dbraw/zinc/22/09/76/1351220976.db2.gz NSLPFPKIFXEWPE-GDBMZVCRSA-N -1 1 333.432 2.328 20 0 EEADMM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001605835577 1351232397 /nfs/dbraw/zinc/23/23/97/1351232397.db2.gz OUFOQJNMMYAPNX-QGZVFWFLSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001605835577 1351232399 /nfs/dbraw/zinc/23/23/99/1351232399.db2.gz OUFOQJNMMYAPNX-QGZVFWFLSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605867726 1351242018 /nfs/dbraw/zinc/24/20/18/1351242018.db2.gz VIQNMXJQKCIDDX-VIFPVBQESA-N -1 1 330.339 2.054 20 0 EEADMM Cc1ccc(N2CCS[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605867726 1351242021 /nfs/dbraw/zinc/24/20/21/1351242021.db2.gz VIQNMXJQKCIDDX-VIFPVBQESA-N -1 1 330.339 2.054 20 0 EEADMM Cc1ccc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)nc1-c1nnn[n-]1 ZINC001605871693 1351242460 /nfs/dbraw/zinc/24/24/60/1351242460.db2.gz IEISDBGKXSEQGD-NXEZZACHSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(N[C@H](C[C@H]2CCCO2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001605871693 1351242464 /nfs/dbraw/zinc/24/24/64/1351242464.db2.gz IEISDBGKXSEQGD-NXEZZACHSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1cccc(CCCn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001605911577 1351251632 /nfs/dbraw/zinc/25/16/32/1351251632.db2.gz GKUQIRSCDMRGEP-UHFFFAOYSA-N -1 1 335.411 2.458 20 0 EEADMM Fc1ccc(OCCCOCCc2ccccc2)c(-c2nnn[n-]2)n1 ZINC001606323326 1351292471 /nfs/dbraw/zinc/29/24/71/1351292471.db2.gz PSTNPYVQWWRHEV-UHFFFAOYSA-N -1 1 343.362 2.429 20 0 EEADMM Fc1ccc(OCCCOCCc2ccccc2)c(-c2nn[n-]n2)n1 ZINC001606323326 1351292473 /nfs/dbraw/zinc/29/24/73/1351292473.db2.gz PSTNPYVQWWRHEV-UHFFFAOYSA-N -1 1 343.362 2.429 20 0 EEADMM O=C(C=Cc1ccccc1C(F)(F)F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606486288 1351310022 /nfs/dbraw/zinc/31/00/22/1351310022.db2.gz RVZISYKWLGICPP-AATRIKPKSA-N -1 1 349.276 2.261 20 0 EEADMM COC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1C ZINC001606588892 1351328317 /nfs/dbraw/zinc/32/83/17/1351328317.db2.gz JGMMCMPPAQCLCZ-INIZCTEOSA-N -1 1 329.352 2.403 20 0 EEADMM COC(=O)c1cccc(NC(=O)CN[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001606614371 1351332040 /nfs/dbraw/zinc/33/20/40/1351332040.db2.gz PZAQGVLUUUMZAF-INIZCTEOSA-N -1 1 348.399 2.035 20 0 EEADMM CO[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC001606704352 1351344448 /nfs/dbraw/zinc/34/44/48/1351344448.db2.gz WWQSAYKFBATZQS-FZKQIMNGSA-N -1 1 334.416 2.313 20 0 EEADMM CO[C@]1(C(=O)[O-])CCN(Cc2sc(C)cc2Br)C1 ZINC001606705820 1351344635 /nfs/dbraw/zinc/34/46/35/1351344635.db2.gz GYRDUNHYBPEUFJ-GFCCVEGCSA-N -1 1 334.235 2.495 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1ccsc1-c1nnn[n-]1 ZINC001606725653 1351347609 /nfs/dbraw/zinc/34/76/09/1351347609.db2.gz PRWDCMXFRHCUBO-VIFPVBQESA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1ccsc1-c1nn[n-]n1 ZINC001606725653 1351347613 /nfs/dbraw/zinc/34/76/13/1351347613.db2.gz PRWDCMXFRHCUBO-VIFPVBQESA-N -1 1 335.458 2.191 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@H](NCC(=O)Nc2ccc(C)cc2C)C(=O)[O-])C1 ZINC001606743704 1351350235 /nfs/dbraw/zinc/35/02/35/1351350235.db2.gz VBARXWVCWHMEFU-RKVPGOIHSA-N -1 1 348.443 2.490 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@H](NCC(=O)N(C)C2CCCCC2)C(=O)[O-])C1 ZINC001606742605 1351350367 /nfs/dbraw/zinc/35/03/67/1351350367.db2.gz QWKWTOPZECPTJT-UNEWFSDZSA-N -1 1 340.464 2.026 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1[nH]ccc1-c1ccccc1 ZINC001606842172 1351366002 /nfs/dbraw/zinc/36/60/02/1351366002.db2.gz LGNFMNJLRAEHHV-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1[nH]ccc1-c1ccccc1 ZINC001606842172 1351366003 /nfs/dbraw/zinc/36/60/03/1351366003.db2.gz LGNFMNJLRAEHHV-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001606892884 1351371164 /nfs/dbraw/zinc/37/11/64/1351371164.db2.gz YVEIMCIKUOJCEA-WCABBAIRSA-N -1 1 325.376 2.008 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N(CC1CC1)CC1CC1 ZINC001607015537 1351397841 /nfs/dbraw/zinc/39/78/41/1351397841.db2.gz QFHWTPVVOWAMCN-UHFFFAOYSA-N -1 1 332.795 2.177 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CCSCC2)CC1 ZINC001607017585 1351398647 /nfs/dbraw/zinc/39/86/47/1351398647.db2.gz YBCMPBVSDQYLND-UHFFFAOYSA-N -1 1 344.444 2.011 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CCSCC2)CC1 ZINC001607017585 1351398649 /nfs/dbraw/zinc/39/86/49/1351398649.db2.gz YBCMPBVSDQYLND-UHFFFAOYSA-N -1 1 344.444 2.011 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1CCSCc1ccccc1 ZINC001607129387 1351431473 /nfs/dbraw/zinc/43/14/73/1351431473.db2.gz QEEFSNFPWVSLEH-UHFFFAOYSA-N -1 1 325.401 2.249 20 0 EEADMM c1ccc(Oc2ccc(COc3cccnc3-c3nnn[n-]3)nn2)cc1 ZINC001607130548 1351431785 /nfs/dbraw/zinc/43/17/85/1351431785.db2.gz ATHNQRMVXSHYOK-UHFFFAOYSA-N -1 1 347.338 2.423 20 0 EEADMM c1ccc(Oc2ccc(COc3cccnc3-c3nn[n-]n3)nn2)cc1 ZINC001607130548 1351431788 /nfs/dbraw/zinc/43/17/88/1351431788.db2.gz ATHNQRMVXSHYOK-UHFFFAOYSA-N -1 1 347.338 2.423 20 0 EEADMM c1ccc(OCc2ccccc2Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607131173 1351432730 /nfs/dbraw/zinc/43/27/30/1351432730.db2.gz XEBCMJNSOXKCAJ-UHFFFAOYSA-N -1 1 345.366 2.401 20 0 EEADMM COc1cc(OC)cc([C@H](O)CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001607187225 1351445564 /nfs/dbraw/zinc/44/55/64/1351445564.db2.gz RSLWJGNCVBOHJP-KEGWNNHHSA-N -1 1 347.367 2.218 20 0 EEADMM COc1ccc(-c2nc(CN[C@H]3CCCC[C@H]3C(=O)[O-])no2)cc1 ZINC001607196813 1351447514 /nfs/dbraw/zinc/44/75/14/1351447514.db2.gz FZHSHRYLBJYBHR-KGLIPLIRSA-N -1 1 331.372 2.478 20 0 EEADMM COc1ccc(-c2nc(CN[C@]3(CC(=O)[O-])CCCOC3)co2)cc1 ZINC001607196753 1351447533 /nfs/dbraw/zinc/44/75/33/1351447533.db2.gz BDBMTPXDGWQYRN-SFHVURJKSA-N -1 1 346.383 2.464 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)n1C ZINC001607510766 1351508359 /nfs/dbraw/zinc/50/83/59/1351508359.db2.gz FUWKYJZORLPXFR-LLVKDONJSA-N -1 1 339.436 2.377 20 0 EEADMM Cc1nc([C@H](C)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)n[nH]1 ZINC001607935695 1351589228 /nfs/dbraw/zinc/58/92/28/1351589228.db2.gz WDHAKDOZATZNKG-AQUOVQTQSA-N -1 1 336.342 2.253 20 0 EEADMM Cc1nc(C(C)C)ccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607949301 1351591053 /nfs/dbraw/zinc/59/10/53/1351591053.db2.gz XXLWYDZXTULQQJ-AWEZNQCLSA-N -1 1 329.404 2.250 20 0 EEADMM Cc1nc2ccccc2c(C)c1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001607973233 1351595804 /nfs/dbraw/zinc/59/58/04/1351595804.db2.gz GDMDVLLJQDQCFU-HNNXBMFYSA-N -1 1 338.367 2.000 20 0 EEADMM Cc1ncc2n1C[C@H](c1nc(-c3cc(C(=O)[O-])n(C)c3)no1)CC2 ZINC001607987697 1351598447 /nfs/dbraw/zinc/59/84/47/1351598447.db2.gz ORPZHLHUISDUCA-SNVBAGLBSA-N -1 1 327.344 2.008 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2scc(C(=O)[O-])c2C)[nH]1 ZINC001608017200 1351608202 /nfs/dbraw/zinc/60/82/02/1351608202.db2.gz MELJRYCIOSSWBH-UHFFFAOYSA-N -1 1 326.403 2.302 20 0 EEADMM Cn1cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1C(=O)[O-] ZINC001608112730 1351627757 /nfs/dbraw/zinc/62/77/57/1351627757.db2.gz PKUQWQOPBDVHMR-MAUKXSAKSA-N -1 1 332.375 2.023 20 0 EEADMM O=C(NC[C@@H](O)c1ccco1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001626680719 1352470722 /nfs/dbraw/zinc/47/07/22/1352470722.db2.gz RMPWWVJTOCBHQC-CYBMUJFWSA-N -1 1 328.328 2.026 20 0 EEADMM C[C@@H]1SCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)[C@H]1C ZINC001646929097 1353052926 /nfs/dbraw/zinc/05/29/26/1353052926.db2.gz RIVUHBDWBAGGLQ-UWVGGRQHSA-N -1 1 334.449 2.114 20 0 EEADMM COCc1cccc(CC(=O)OCC(=O)c2ccc([O-])cc2O)c1 ZINC001649760576 1353588758 /nfs/dbraw/zinc/58/87/58/1353588758.db2.gz BPOXSXQOAQILES-UHFFFAOYSA-N -1 1 330.336 2.213 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)cc1 ZINC000074837747 1354368939 /nfs/dbraw/zinc/36/89/39/1354368939.db2.gz CUHFFTXMAJZALK-UHFFFAOYSA-N -1 1 344.396 2.333 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000078529912 1354825966 /nfs/dbraw/zinc/82/59/66/1354825966.db2.gz MQZFMCDANYNVFP-OAHLLOKOSA-N -1 1 337.372 2.327 20 0 EEADMM CCCc1occc1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001388350008 1387396922 /nfs/dbraw/zinc/39/69/22/1387396922.db2.gz ZNDUYAXESUOSPN-UHFFFAOYSA-N -1 1 345.399 2.225 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1C(C)(C)C1(C)C ZINC001388901442 1387792033 /nfs/dbraw/zinc/79/20/33/1387792033.db2.gz MOIKWWZTPZFVCG-GFCCVEGCSA-N -1 1 347.459 2.340 20 0 EEADMM O=C(Oc1ccc2c(c1)CC(=O)N2)c1nn(-c2ccccc2)cc1[O-] ZINC000797770425 1371545523 /nfs/dbraw/zinc/54/55/23/1371545523.db2.gz XZUUPDQJEAPULR-UHFFFAOYSA-N -1 1 335.319 2.292 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC001123788460 1372185485 /nfs/dbraw/zinc/18/54/85/1372185485.db2.gz FSDXNKMSSRNSSY-UWVGGRQHSA-N -1 1 325.434 2.101 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2cc3cccnc3s2)C1)C(F)(F)F ZINC000831122118 1372364602 /nfs/dbraw/zinc/36/46/02/1372364602.db2.gz VYACXXPSBUUEMZ-UHFFFAOYSA-N -1 1 343.330 2.047 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2ccc(C3CC3)cc2)C1)C(F)(F)F ZINC000831117049 1372364966 /nfs/dbraw/zinc/36/49/66/1372364966.db2.gz JAGBERZZFQVHRD-UHFFFAOYSA-N -1 1 326.318 2.315 20 0 EEADMM CN(C)C(=O)c1ccc(Nc2c(N)[nH]c(=S)[n-]c2=O)cc1Cl ZINC001203071708 1372694401 /nfs/dbraw/zinc/69/44/01/1372694401.db2.gz IDTSYCLPFULSLO-UHFFFAOYSA-N -1 1 339.808 2.152 20 0 EEADMM C[C@@H]1[C@H](O)CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000837013905 1372763146 /nfs/dbraw/zinc/76/31/46/1372763146.db2.gz XHAKLFYCVXWFLX-ZWNOBZJWSA-N -1 1 336.388 2.335 20 0 EEADMM Cc1nn(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c2ncccc12 ZINC001141540204 1372875499 /nfs/dbraw/zinc/87/54/99/1372875499.db2.gz GFGOMSLSOQCSKD-UHFFFAOYSA-N -1 1 348.366 2.474 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H](C)n2ccc(C(F)(F)F)n2)n1 ZINC001361440429 1373292514 /nfs/dbraw/zinc/29/25/14/1373292514.db2.gz BDEJNZQWQPQAFI-ZETCQYMHSA-N -1 1 345.281 2.001 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(NC(=O)OC)cc2C)n1 ZINC001361817917 1373341829 /nfs/dbraw/zinc/34/18/29/1373341829.db2.gz YIDFMTLYEAFUNP-UHFFFAOYSA-N -1 1 346.343 2.325 20 0 EEADMM COC(=O)c1cc(NC(=O)c2cnc(SC)[n-]c2=O)ccc1C ZINC001362210892 1373377390 /nfs/dbraw/zinc/37/73/90/1373377390.db2.gz RGWPLLBODLIFJW-UHFFFAOYSA-N -1 1 333.369 2.251 20 0 EEADMM CSc1ncc(C(=O)NCC(C)(C)c2ccc(C)cn2)c(=O)[n-]1 ZINC001363989080 1373567524 /nfs/dbraw/zinc/56/75/24/1373567524.db2.gz BBVTZPUFZITIRC-UHFFFAOYSA-N -1 1 332.429 2.315 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCc3cc(C)ccc3C2)c1 ZINC001365716256 1373753304 /nfs/dbraw/zinc/75/33/04/1373753304.db2.gz WOKLTEDAUTZIIH-UHFFFAOYSA-N -1 1 333.409 2.456 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])Cc1c(F)cccc1Cl ZINC001366521171 1373933384 /nfs/dbraw/zinc/93/33/84/1373933384.db2.gz STDORAYKHKYZIS-UHFFFAOYSA-N -1 1 337.782 2.442 20 0 EEADMM C[C@@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CC(C)(C)C1 ZINC001367191230 1374120302 /nfs/dbraw/zinc/12/03/02/1374120302.db2.gz MIQIJNMONBXHSH-XIKOKIGWSA-N -1 1 349.479 2.101 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c(C)s1 ZINC001370466989 1374951868 /nfs/dbraw/zinc/95/18/68/1374951868.db2.gz BZNJUGZDTYCYEO-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C1(C)CCC1 ZINC001371227378 1375308964 /nfs/dbraw/zinc/30/89/64/1375308964.db2.gz CWBXUMVUIPDNOC-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1sccc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001371286906 1375358494 /nfs/dbraw/zinc/35/84/94/1375358494.db2.gz YGGPJLNQYBELCN-WDEREUQCSA-N -1 1 347.440 2.484 20 0 EEADMM Cc1sccc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001371286887 1375358865 /nfs/dbraw/zinc/35/88/65/1375358865.db2.gz YGGPJLNQYBELCN-GHMZBOCLSA-N -1 1 347.440 2.484 20 0 EEADMM Cc1cc(C)cc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001373336438 1376505863 /nfs/dbraw/zinc/50/58/63/1376505863.db2.gz WPJVYLIKWVIMIW-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM C[C@H](C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001375358499 1377654146 /nfs/dbraw/zinc/65/41/46/1377654146.db2.gz JJBQNGXDNLDVLZ-BLVKFPJESA-N -1 1 347.459 2.484 20 0 EEADMM CC[C@H](C)CCC(=O)N1CC[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001390205986 1388511854 /nfs/dbraw/zinc/51/18/54/1388511854.db2.gz QQDDZNXQYPRTKL-UGSOOPFHSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001379144974 1380578581 /nfs/dbraw/zinc/57/85/81/1380578581.db2.gz CASZBMANIXIKBI-ZIAGYGMSSA-N -1 1 349.479 2.005 20 0 EEADMM CCCC1(C(=O)N2CCC(N(C)C(=O)c3ncccc3[O-])CC2)CC1 ZINC001381609309 1381687842 /nfs/dbraw/zinc/68/78/42/1381687842.db2.gz PMGLERUHIFJIOZ-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001382863088 1382253692 /nfs/dbraw/zinc/25/36/92/1382253692.db2.gz JMWIBVNLZCERFB-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM CCC1(C(=O)N(C)CC(C)(C)CNC(=O)c2ncccc2[O-])CC1 ZINC001382868093 1382258298 /nfs/dbraw/zinc/25/82/98/1382258298.db2.gz CHLVDZRFKCGOBU-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001383083252 1382364332 /nfs/dbraw/zinc/36/43/32/1382364332.db2.gz IKDNEACLSILNFX-NSHDSACASA-N -1 1 348.447 2.073 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C1(F)CCCCC1 ZINC001383696668 1382644963 /nfs/dbraw/zinc/64/49/63/1382644963.db2.gz ATEOJRRYMLRVSC-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM CCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)CCCC1 ZINC001384052785 1382765818 /nfs/dbraw/zinc/76/58/18/1382765818.db2.gz VZSSGIPFRCPKJV-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C)CC1 ZINC001384498925 1384238649 /nfs/dbraw/zinc/23/86/49/1384238649.db2.gz MWOCFECWXJENDZ-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CN(C(=O)CCC(C)(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385258297 1385405977 /nfs/dbraw/zinc/40/59/77/1385405977.db2.gz ZPYZPCFJUIGDLE-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(CCCC1CC1)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385367443 1385507410 /nfs/dbraw/zinc/50/74/10/1385507410.db2.gz PXSZCOYXTVNYPV-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001395519715 1390832984 /nfs/dbraw/zinc/83/29/84/1390832984.db2.gz PJZCEFFVTIUTGB-SNVBAGLBSA-N -1 1 333.413 2.048 20 0 EEADMM CCCC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001396535214 1390953183 /nfs/dbraw/zinc/95/31/83/1390953183.db2.gz FAHRXMXQSXBTAC-BETUJISGSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)C1CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001398401447 1392439312 /nfs/dbraw/zinc/43/93/12/1392439312.db2.gz RWQMUGSPZHTPST-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)ccc1F ZINC001398945673 1394352175 /nfs/dbraw/zinc/35/21/75/1394352175.db2.gz PCOYGLCCLQNFLZ-LLVKDONJSA-N -1 1 349.337 2.004 20 0 EEADMM CCC[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001399476000 1395138608 /nfs/dbraw/zinc/13/86/08/1395138608.db2.gz OMCYBRNCRSURLV-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@](CNCc1n[nH]c(=O)[n-]1)(NC(=O)CCC1CCCCC1)C1CC1 ZINC001401036572 1396870797 /nfs/dbraw/zinc/87/07/97/1396870797.db2.gz KDBBFIHAMPMMDR-GOSISDBHSA-N -1 1 349.479 2.245 20 0 EEADMM CCCC[C@@H](CNC(=O)Cc1ccoc1)NC(=O)c1ncccc1[O-] ZINC001426950345 1402268680 /nfs/dbraw/zinc/26/86/80/1402268680.db2.gz IZICNOBFYFRSQR-AWEZNQCLSA-N -1 1 345.399 2.028 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001426979545 1402282108 /nfs/dbraw/zinc/28/21/08/1402282108.db2.gz OUWZPBJNADMUJZ-SOUVJXGZSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001428124956 1402632979 /nfs/dbraw/zinc/63/29/79/1402632979.db2.gz WVRBBJNJIZZIST-KBPBESRZSA-N -1 1 333.432 2.333 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(F)c(C)c1 ZINC001432655826 1403262884 /nfs/dbraw/zinc/26/28/84/1403262884.db2.gz SMJLCHXKRXQEKW-ZDUSSCGKSA-N -1 1 345.374 2.173 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2nccc(C3CC3)n2)c(=O)[n-]1 ZINC001433526213 1403404824 /nfs/dbraw/zinc/40/48/24/1403404824.db2.gz RLMFSUVMLWDHKS-UHFFFAOYSA-N -1 1 345.428 2.451 20 0 EEADMM CC[C@@H](C)c1nnc(N(C)C2CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576687010 1403597136 /nfs/dbraw/zinc/59/71/36/1403597136.db2.gz YUKBYILNFORNJU-SNVBAGLBSA-N -1 1 342.407 2.212 20 0 EEADMM CC[C@@H](C)c1nnc(N(C)C2CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576687010 1403597144 /nfs/dbraw/zinc/59/71/44/1403597144.db2.gz YUKBYILNFORNJU-SNVBAGLBSA-N -1 1 342.407 2.212 20 0 EEADMM CC[C@@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)[C@@H]1CC1(C)C ZINC001576972827 1403616918 /nfs/dbraw/zinc/61/69/18/1403616918.db2.gz BUMYTFPIDPUKNS-NWDGAFQWSA-N -1 1 345.407 2.217 20 0 EEADMM CCOC(=O)c1cnn(C[C@@H]2CC3CCC2CC3)c1-c1nn[n-]n1 ZINC001578254185 1403728134 /nfs/dbraw/zinc/72/81/34/1403728134.db2.gz CLFIAGWMTJYYMM-MCIGGMRASA-N -1 1 330.392 2.066 20 0 EEADMM CCc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCO2 ZINC001578527729 1403768641 /nfs/dbraw/zinc/76/86/41/1403768641.db2.gz XZNZBHXSRSFWKW-GFCCVEGCSA-N -1 1 339.355 2.276 20 0 EEADMM CCc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCO2 ZINC001578527729 1403768650 /nfs/dbraw/zinc/76/86/50/1403768650.db2.gz XZNZBHXSRSFWKW-GFCCVEGCSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001579991432 1403805286 /nfs/dbraw/zinc/80/52/86/1403805286.db2.gz ZEMXFOIUCROSSW-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001579991432 1403805294 /nfs/dbraw/zinc/80/52/94/1403805294.db2.gz ZEMXFOIUCROSSW-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM C[S@@](=O)(=NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1 ZINC001580151628 1403837451 /nfs/dbraw/zinc/83/74/51/1403837451.db2.gz CXPVUUGKBWLAMX-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@@](=O)(=NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001580151628 1403837456 /nfs/dbraw/zinc/83/74/56/1403837456.db2.gz CXPVUUGKBWLAMX-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM Cc1cc(C(F)F)oc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001580889665 1403875585 /nfs/dbraw/zinc/87/55/85/1403875585.db2.gz SHKNOGZDYOYUIV-UHFFFAOYSA-N -1 1 334.286 2.377 20 0 EEADMM Cc1cc(C(F)F)oc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001580889665 1403875597 /nfs/dbraw/zinc/87/55/97/1403875597.db2.gz SHKNOGZDYOYUIV-UHFFFAOYSA-N -1 1 334.286 2.377 20 0 EEADMM C[C@]12CN(C(=O)c3csc(-c4nn[n-]n4)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591778512 1403945047 /nfs/dbraw/zinc/94/50/47/1403945047.db2.gz JMOJPWFBQHBLHW-HMECCHRJSA-N -1 1 329.429 2.436 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCCCC(=O)OC(C)(C)C)n1 ZINC001591897214 1403969173 /nfs/dbraw/zinc/96/91/73/1403969173.db2.gz BQYDKNVTSPNSGD-UHFFFAOYSA-N -1 1 347.423 2.279 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCCCC(=O)OC(C)(C)C)n1 ZINC001591897214 1403969180 /nfs/dbraw/zinc/96/91/80/1403969180.db2.gz BQYDKNVTSPNSGD-UHFFFAOYSA-N -1 1 347.423 2.279 20 0 EEADMM Cc1ccc(CCNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001592151926 1404008032 /nfs/dbraw/zinc/00/80/32/1404008032.db2.gz IMQJMVCXDJOESI-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1ccc(CCNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001592151926 1404008036 /nfs/dbraw/zinc/00/80/36/1404008036.db2.gz IMQJMVCXDJOESI-UHFFFAOYSA-N -1 1 343.337 2.426 20 0 EEADMM Cc1nc(N[C@@H](C)COc2ccc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001592381460 1404027691 /nfs/dbraw/zinc/02/76/91/1404027691.db2.gz YTBFNXUETBUQNP-QMMMGPOBSA-N -1 1 347.329 2.123 20 0 EEADMM Cc1nc(N[C@@H](C)COc2ccc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001592381460 1404027700 /nfs/dbraw/zinc/02/77/00/1404027700.db2.gz YTBFNXUETBUQNP-QMMMGPOBSA-N -1 1 347.329 2.123 20 0 EEADMM CCc1[nH]c(CN2CCC(OC[C@H]3CCOC3)CC2)cc1C(=O)[O-] ZINC001605771679 1404753192 /nfs/dbraw/zinc/75/31/92/1404753192.db2.gz HNMUOAOXUXETQG-ZDUSSCGKSA-N -1 1 336.432 2.293 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001606065071 1404761480 /nfs/dbraw/zinc/76/14/80/1404761480.db2.gz KTXHIELCAGOXNL-HOTGVXAUSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H](O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001606065071 1404761483 /nfs/dbraw/zinc/76/14/83/1404761483.db2.gz KTXHIELCAGOXNL-HOTGVXAUSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1nsc(NCc2cccnc2OC(C)C)c1-c1nn[n-]n1 ZINC001606162500 1404770477 /nfs/dbraw/zinc/77/04/77/1404770477.db2.gz WUPSEYUQLOVSGB-UHFFFAOYSA-N -1 1 331.405 2.426 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001606166192 1404770694 /nfs/dbraw/zinc/77/06/94/1404770694.db2.gz POIREOMXDXYPER-ACJLOTCBSA-N -1 1 335.367 2.182 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001606166192 1404770700 /nfs/dbraw/zinc/77/07/00/1404770700.db2.gz POIREOMXDXYPER-ACJLOTCBSA-N -1 1 335.367 2.182 20 0 EEADMM CN(Cc1cn2ccnc2s1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001606163196 1404770836 /nfs/dbraw/zinc/77/08/36/1404770836.db2.gz TUSFGGOUFRXYCG-UHFFFAOYSA-N -1 1 331.397 2.491 20 0 EEADMM CCOC(=O)C[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001645981131 1404872770 /nfs/dbraw/zinc/87/27/70/1404872770.db2.gz RVXJMCBWCVVKKI-ZDUSSCGKSA-N -1 1 328.368 2.498 20 0 EEADMM O=C(C[C@H]1CC=CCC1)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC001755932496 1408007583 /nfs/dbraw/zinc/00/75/83/1408007583.db2.gz SQCZEHMQWKMREI-NFOMZHRRSA-N -1 1 343.427 2.158 20 0 EEADMM CCOC(=O)C1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000325093278 1409869853 /nfs/dbraw/zinc/86/98/53/1409869853.db2.gz MZSISYHLDXUEFJ-UHFFFAOYSA-N -1 1 335.404 2.029 20 0 EEADMM CN(c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C)C1CC(C)(C)C1 ZINC001772172827 1410075862 /nfs/dbraw/zinc/07/58/62/1410075862.db2.gz IJYWFDVTSVVVFV-UHFFFAOYSA-N -1 1 328.420 2.480 20 0 EEADMM O=C(N[C@H](c1ncon1)C1CC1)c1cc(Br)ccc1[O-] ZINC001772469807 1410199308 /nfs/dbraw/zinc/19/93/08/1410199308.db2.gz HANBVQRNZAWYTK-NSHDSACASA-N -1 1 338.161 2.419 20 0 EEADMM O=c1cc([C@@H]2CC[N@H+](Cc3cscn3)C2)nc(N2CCCC2)[nH]1 ZINC000864329349 1410461197 /nfs/dbraw/zinc/46/11/97/1410461197.db2.gz CAZQYHAPLCMPBK-GFCCVEGCSA-N -1 1 331.445 2.228 20 0 EEADMM CC(C)n1ccnc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000864331217 1410461722 /nfs/dbraw/zinc/46/17/22/1410461722.db2.gz FMYKXHHBROMNHP-ZDUSSCGKSA-N -1 1 330.436 2.015 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000942396856 782358914 /nfs/dbraw/zinc/35/89/14/782358914.db2.gz JEVXHDCHGLIYHE-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM Cn1ccnc1C(NC(=O)c1cc(Cl)ccc1[O-])c1nccn1C ZINC001167235240 757542332 /nfs/dbraw/zinc/54/23/32/757542332.db2.gz CFALIHXITQRJNB-UHFFFAOYSA-N -1 1 345.790 2.032 20 0 EEADMM Cc1cc(C)nc(N(C)CCN(C(=O)c2ncccc2[O-])C(C)C)n1 ZINC001125477776 759398122 /nfs/dbraw/zinc/39/81/22/759398122.db2.gz POFADOKSCYTVBA-UHFFFAOYSA-N -1 1 343.431 2.181 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2cc(F)c(O)c(F)c2)c1 ZINC001213388595 760997154 /nfs/dbraw/zinc/99/71/54/760997154.db2.gz BHEVGCOJQBYZAY-UHFFFAOYSA-N -1 1 344.295 2.386 20 0 EEADMM C[C@H](CNc1ccnc(C(C)(C)C)n1)N(C)C(=O)c1ncccc1[O-] ZINC001104536536 761714421 /nfs/dbraw/zinc/71/44/21/761714421.db2.gz PIZVGDCWQWTTKS-GFCCVEGCSA-N -1 1 343.431 2.447 20 0 EEADMM CN(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780385816 761727346 /nfs/dbraw/zinc/72/73/46/761727346.db2.gz SMYGZYAAWUKYCH-HUUCEWRRSA-N -1 1 347.440 2.476 20 0 EEADMM CC(C)C[C@H](CNc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001104933579 765599750 /nfs/dbraw/zinc/59/97/50/765599750.db2.gz FDCWRJGZQUWFAD-LLVKDONJSA-N -1 1 349.822 2.487 20 0 EEADMM CCOC(=O)[C@@H]1CCC[C@H]1Oc1[n-]c(=O)ncc1Br ZINC001227134064 782668396 /nfs/dbraw/zinc/66/83/96/782668396.db2.gz UHDFFELDZGUDJE-VXNVDRBHSA-N -1 1 331.166 2.055 20 0 EEADMM CC(C)c1nccc(N(C)CCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001112081541 769123718 /nfs/dbraw/zinc/12/37/18/769123718.db2.gz VWYNAGWSGFHYJT-UHFFFAOYSA-N -1 1 343.431 2.299 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000942756856 783142982 /nfs/dbraw/zinc/14/29/82/783142982.db2.gz RWWDLOQOAPTMMR-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000942758208 783146309 /nfs/dbraw/zinc/14/63/09/783146309.db2.gz LNCJVOLTZKBSNL-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(NC[C@@H]1CCC[N@@H+]1C/C=C/Cl)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027956088 775015848 /nfs/dbraw/zinc/01/58/48/775015848.db2.gz OACFDFKQTHJBGW-QSLRECBCSA-N -1 1 336.823 2.006 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000940130280 778137324 /nfs/dbraw/zinc/13/73/24/778137324.db2.gz JWWGZHKNUNFYQZ-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CCCC1 ZINC000946263372 790605707 /nfs/dbraw/zinc/60/57/07/790605707.db2.gz RJOWXVHRZYSQNS-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](O)c1cccc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1 ZINC000893669555 778607557 /nfs/dbraw/zinc/60/75/57/778607557.db2.gz PHWZNCHZQCJSPV-SNVBAGLBSA-N -1 1 331.338 2.030 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832392 779377880 /nfs/dbraw/zinc/37/78/80/779377880.db2.gz FRBWNVSCPPQJNT-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832923 779378754 /nfs/dbraw/zinc/37/87/54/779378754.db2.gz QMVXUCGBKIWKRO-LIRRHRJNSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832921 779378947 /nfs/dbraw/zinc/37/89/47/779378947.db2.gz QMVXUCGBKIWKRO-IFXJQAMLSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nn(C(C)(C)C)c(C)c1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051546 779783295 /nfs/dbraw/zinc/78/32/95/779783295.db2.gz ZCTUXWBKZJLAGT-UHFFFAOYSA-N -1 1 336.465 2.019 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000936899656 780069369 /nfs/dbraw/zinc/06/93/69/780069369.db2.gz KBBJNTFBCAMGBK-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942958057 783556304 /nfs/dbraw/zinc/55/63/04/783556304.db2.gz DYFKJKFAISVPGL-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N(C2CC2)C2CCCC2)c1 ZINC000906821612 784196722 /nfs/dbraw/zinc/19/67/22/784196722.db2.gz YGKNOZAPROTCLW-UHFFFAOYSA-N -1 1 325.386 2.186 20 0 EEADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945502120 784222215 /nfs/dbraw/zinc/22/22/15/784222215.db2.gz RRBSBEARULKDGS-UONOGXRCSA-N -1 1 343.427 2.110 20 0 EEADMM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CCCc2nn[nH]c21 ZINC000816952481 784369691 /nfs/dbraw/zinc/36/96/91/784369691.db2.gz MAJFUVWISYMNMA-NSHDSACASA-N -1 1 340.305 2.491 20 0 EEADMM C[C@@H](NC(=O)C1CCCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945625342 784462086 /nfs/dbraw/zinc/46/20/86/784462086.db2.gz WJAOHZMAPUTLMY-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CSc1ccccc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472885 784640959 /nfs/dbraw/zinc/64/09/59/784640959.db2.gz DPBMBCCIZMPBEC-WCQYABFASA-N -1 1 349.485 2.245 20 0 EEADMM CCCCCC[C@@](C)(CC)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907943320 784976057 /nfs/dbraw/zinc/97/60/57/784976057.db2.gz HUQMJLATVMHESS-MRXNPFEDSA-N -1 1 337.468 2.396 20 0 EEADMM O=S(=O)(Cc1cscn1)c1n[n-]c(CCC2CCCC2)n1 ZINC000818267704 785229382 /nfs/dbraw/zinc/22/93/82/785229382.db2.gz JNWKIACSCNXTJU-UHFFFAOYSA-N -1 1 326.447 2.358 20 0 EEADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N(C)C ZINC000908417409 785396263 /nfs/dbraw/zinc/39/62/63/785396263.db2.gz BFSXKHVBFQOGRZ-JOYOIKCWSA-N -1 1 332.322 2.288 20 0 EEADMM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1OC ZINC000908719127 785647546 /nfs/dbraw/zinc/64/75/46/785647546.db2.gz JKUFTXLKHSAMID-HIFRSBDPSA-N -1 1 334.416 2.059 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1cccs1)N(C)C)C1CCC1 ZINC000908745969 785684681 /nfs/dbraw/zinc/68/46/81/785684681.db2.gz GJSNCYZZWLTDCS-DGCLKSJQSA-N -1 1 339.461 2.388 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000908747634 785687179 /nfs/dbraw/zinc/68/71/79/785687179.db2.gz OMELWZTUQPGMMW-SZZVUECUSA-N -1 1 335.404 2.135 20 0 EEADMM CCC(CC)(NC(=O)NC[C@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000908747911 785688074 /nfs/dbraw/zinc/68/80/74/785688074.db2.gz YHOVATLSJLCZFG-LLVKDONJSA-N -1 1 327.450 2.293 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)c(F)c1 ZINC000819849199 785691941 /nfs/dbraw/zinc/69/19/41/785691941.db2.gz UKALCPOOLQBVCR-UHFFFAOYSA-N -1 1 347.383 2.237 20 0 EEADMM C[C@]1(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1(Cl)Cl ZINC000819966669 785721982 /nfs/dbraw/zinc/72/19/82/785721982.db2.gz BPZIVOHVRQLVSN-PELKAZGASA-N -1 1 334.203 2.455 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCS[C@@H](c3ccccc3)C2)C1 ZINC000908806391 785739363 /nfs/dbraw/zinc/73/93/63/785739363.db2.gz PGQMDSMPFFISID-HZPDHXFCSA-N -1 1 348.468 2.100 20 0 EEADMM CN(C(=O)NCCN1CCc2ccccc2C1)C1(C(=O)[O-])CCCC1 ZINC000908808721 785740490 /nfs/dbraw/zinc/74/04/90/785740490.db2.gz JKUCOQYQQNSVAB-UHFFFAOYSA-N -1 1 345.443 2.084 20 0 EEADMM Cc1nc(NC2CC2)sc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820064068 785766172 /nfs/dbraw/zinc/76/61/72/785766172.db2.gz QUKYBAQFTPAWJD-UHFFFAOYSA-N -1 1 349.416 2.134 20 0 EEADMM Cc1ccc2nc(CNC(=O)N(C)C3(C(=O)[O-])CCCC3)[nH]c2c1 ZINC000909005165 785905236 /nfs/dbraw/zinc/90/52/36/785905236.db2.gz DUEBICCIFUVXCM-UHFFFAOYSA-N -1 1 330.388 2.410 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000909034020 785942303 /nfs/dbraw/zinc/94/23/03/785942303.db2.gz SXRVOWSAJAGUFU-GFCCVEGCSA-N -1 1 339.273 2.253 20 0 EEADMM CC(C)c1nccc(NC/C=C/CNC(=O)c2ncccc2[O-])n1 ZINC001107139334 785987261 /nfs/dbraw/zinc/98/72/61/785987261.db2.gz KBNRNJVDUUDXKV-ONEGZZNKSA-N -1 1 327.388 2.099 20 0 EEADMM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCc1cnc[nH]1 ZINC000909789412 786250413 /nfs/dbraw/zinc/25/04/13/786250413.db2.gz 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COc1cccc(S([O-])=CC(=O)O[C@H]2C[C@@H](OC)C2(C)C)c1 ZINC000821380135 786699867 /nfs/dbraw/zinc/69/98/67/786699867.db2.gz LUSBSXQSYHSZSJ-ALLJEULLSA-N -1 1 326.414 2.160 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000821357699 786715644 /nfs/dbraw/zinc/71/56/44/786715644.db2.gz ASIHWHZRGYSRRK-VVYDWRJNSA-N -1 1 326.414 2.302 20 0 EEADMM CC(C)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000910539124 786857050 /nfs/dbraw/zinc/85/70/50/786857050.db2.gz PYUXMQNTAVJJEG-SJORKVTESA-N -1 1 332.444 2.167 20 0 EEADMM Cc1sc([C@@H]2CCCN2C(=O)[C@@H](C)Cc2cnc[nH]2)nc1C(=O)[O-] ZINC000910721635 786992459 /nfs/dbraw/zinc/99/24/59/786992459.db2.gz VPGNHXRBFFGDGI-CABZTGNLSA-N -1 1 348.428 2.415 20 0 EEADMM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910978990 787159310 /nfs/dbraw/zinc/15/93/10/787159310.db2.gz BRRFIERLTVGFHK-UHFFFAOYSA-N -1 1 347.325 2.296 20 0 EEADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910992196 787170544 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EEADMM C[C@H]1CCCC[C@H]1CC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168462608 795189370 /nfs/dbraw/zinc/18/93/70/795189370.db2.gz CJZUFKJQTYQXLV-KBPBESRZSA-N -1 1 349.479 2.103 20 0 EEADMM CCN(C(=O)C(C)(C)C(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079840463 795270310 /nfs/dbraw/zinc/27/03/10/795270310.db2.gz JRSICKLUKCZAHC-UHFFFAOYSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(NCCNc1nc(-c2ccccc2)ns1)c1ncccc1[O-] ZINC001093563045 795420286 /nfs/dbraw/zinc/42/02/86/795420286.db2.gz UKPMMIWHPFFAKH-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM CCN(C(=O)C[C@H]1C=CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079992924 795441313 /nfs/dbraw/zinc/44/13/13/795441313.db2.gz UOVNRVOKBBWIDZ-AWEZNQCLSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1ccsc1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946533534 795528860 /nfs/dbraw/zinc/52/88/60/795528860.db2.gz WWEDMTWHKNTGBW-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946538609 795670079 /nfs/dbraw/zinc/67/00/79/795670079.db2.gz 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CC(C)Oc1cc(NC(=O)Cc2nn[n-]n2)c(Cl)cc1Cl ZINC001176844439 798595494 /nfs/dbraw/zinc/59/54/94/798595494.db2.gz CSPGDQWVSHWFKB-UHFFFAOYSA-N -1 1 330.175 2.475 20 0 EEADMM CCOc1ccc(C(=O)NCCc2n[n-]c(=S)n2C(C)C)cn1 ZINC000067075056 798618428 /nfs/dbraw/zinc/61/84/28/798618428.db2.gz JTLIQXXCVVQTAW-UHFFFAOYSA-N -1 1 335.433 2.288 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]2[C@H]1CCN2c1cccc(F)n1 ZINC001066140607 800093189 /nfs/dbraw/zinc/09/31/89/800093189.db2.gz PDSDBECIMHVGNH-CHWSQXEVSA-N -1 1 342.374 2.205 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2sccc2Cl)co1 ZINC000786543903 806807820 /nfs/dbraw/zinc/80/78/20/806807820.db2.gz OSFOYOSQIJVXOH-UHFFFAOYSA-N -1 1 335.790 2.260 20 0 EEADMM Cc1cccc(OCCCC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000825222686 800320679 /nfs/dbraw/zinc/32/06/79/800320679.db2.gz SLCHESNKEQMSOI-UHFFFAOYSA-N -1 1 329.404 2.073 20 0 EEADMM C[C@H](CC(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001066250019 800451871 /nfs/dbraw/zinc/45/18/71/800451871.db2.gz JZDFFLZIEZTGPR-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CCCOc1ccc([C@H](O)C(=O)Nc2nc(C(=O)OCC)c[n-]2)cc1 ZINC001180832264 800567991 /nfs/dbraw/zinc/56/79/91/800567991.db2.gz DZJRAMVFMXVEOC-AWEZNQCLSA-N -1 1 347.371 2.047 20 0 EEADMM CC(=O)N(C)C1CCC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC001003957833 800620692 /nfs/dbraw/zinc/62/06/92/800620692.db2.gz WIJJDVHSUWZPPG-UHFFFAOYSA-N -1 1 348.447 2.133 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2ccc(F)cc2F)C1 ZINC001033025329 800913071 /nfs/dbraw/zinc/91/30/71/800913071.db2.gz KBLAMBXFMTWTJF-AWEZNQCLSA-N -1 1 347.365 2.412 20 0 EEADMM CN(C(=O)CCC1CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001078892517 801169163 /nfs/dbraw/zinc/16/91/63/801169163.db2.gz XBRMUDPUQDJGMD-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnn(-c2cccc(Br)c2)c1 ZINC001183563418 801646870 /nfs/dbraw/zinc/64/68/70/801646870.db2.gz SKQUJZRKQVDDDR-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM CC(=O)N1CCCC[C@@H]1CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001184122699 801879783 /nfs/dbraw/zinc/87/97/83/801879783.db2.gz HQDPPVKBGLKQOI-OAHLLOKOSA-N -1 1 342.399 2.308 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cccc3cnoc32)cc1C(=O)[O-] ZINC001185310519 802454565 /nfs/dbraw/zinc/45/45/65/802454565.db2.gz KMPJIDIJGRMUTP-UHFFFAOYSA-N -1 1 348.336 2.335 20 0 EEADMM Cc1conc1CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001004828002 802997620 /nfs/dbraw/zinc/99/76/20/802997620.db2.gz ZMBUUPMSPYIGOR-ZFWWWQNUSA-N -1 1 344.415 2.257 20 0 EEADMM O=C(Nc1ccccc1Oc1ccccc1)NN1CC(=O)[N-]C1=O ZINC000789835116 808215698 /nfs/dbraw/zinc/21/56/98/808215698.db2.gz VIYRVBCKGXJKNU-UHFFFAOYSA-N -1 1 326.312 2.067 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2cccc(-c3ncnn3C)c2)[n-]1 ZINC000790942367 809013231 /nfs/dbraw/zinc/01/32/31/809013231.db2.gz RRKGILOIFUORHX-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2cccc(-c3ncnn3C)c2)c[n-]1 ZINC000790942367 809013237 /nfs/dbraw/zinc/01/32/37/809013237.db2.gz RRKGILOIFUORHX-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000791150085 809081220 /nfs/dbraw/zinc/08/12/20/809081220.db2.gz NYYYRLRYIQLPIB-FNFWKMNBSA-N -1 1 349.431 2.023 20 0 EEADMM CC(C)CCCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001113532790 809172206 /nfs/dbraw/zinc/17/22/06/809172206.db2.gz FAJBWQWXSZKVIM-UHFFFAOYSA-N -1 1 332.404 2.122 20 0 EEADMM Cc1ccc2oc(N(C)[C@H](C)CNC(=O)c3ncccc3[O-])nc2c1 ZINC001113574870 809272977 /nfs/dbraw/zinc/27/29/77/809272977.db2.gz ILFPPCKQLOFLAK-GFCCVEGCSA-N -1 1 340.383 2.492 20 0 EEADMM Cc1nc2ccc(Nc3[nH]c(=O)nc4[n-]c(=O)[nH]c43)nc2n1C(C)C ZINC001170213936 809817258 /nfs/dbraw/zinc/81/72/58/809817258.db2.gz SQTWQHNZPBDQMR-UHFFFAOYSA-N -1 1 340.347 2.093 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3ccc(F)c(OC(F)(F)F)c3)c2[nH]1 ZINC001170219606 809821398 /nfs/dbraw/zinc/82/13/98/809821398.db2.gz SBIMXQNBXPNWKC-UHFFFAOYSA-N -1 1 345.212 2.497 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(Cl)nc(C(F)(F)F)n2)[n-]1 ZINC001170223022 809841592 /nfs/dbraw/zinc/84/15/92/809841592.db2.gz IGPRVZNQBUQJBM-UHFFFAOYSA-N -1 1 331.645 2.264 20 0 EEADMM Cc1ccc(N[C@H](CCN(C)C(=O)c2ncccc2[O-])C(C)C)nn1 ZINC001114089552 810322723 /nfs/dbraw/zinc/32/27/23/810322723.db2.gz LHXMOBDQDUUFQM-CQSZACIVSA-N -1 1 343.431 2.484 20 0 EEADMM O=C(NC1(CNc2nccnc2F)CCCCC1)c1ncccc1[O-] ZINC001114156980 810492786 /nfs/dbraw/zinc/49/27/86/810492786.db2.gz PRXHGRKJEZJRHI-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM COCN1C(=O)CCc2cc(NC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000793911998 810585223 /nfs/dbraw/zinc/58/52/23/810585223.db2.gz CZFWQATUUIWQSV-UHFFFAOYSA-N -1 1 342.351 2.233 20 0 EEADMM CCOCCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806018715 811708884 /nfs/dbraw/zinc/70/88/84/811708884.db2.gz JKVVGUSPFRDCMA-UHFFFAOYSA-N -1 1 331.372 2.065 20 0 EEADMM O=C(NC[C@@H](O)c1c(F)cccc1Cl)C(=O)c1ccc([O-])cc1 ZINC000806914007 812033575 /nfs/dbraw/zinc/03/35/75/812033575.db2.gz LYWOZPNYXCDRLH-CYBMUJFWSA-N -1 1 337.734 2.217 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c1 ZINC000808121440 812463961 /nfs/dbraw/zinc/46/39/61/812463961.db2.gz MEVJTGRUXHIGNL-UHFFFAOYSA-N -1 1 337.372 2.153 20 0 EEADMM CCO[C@H]1C[C@@H](OC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000809119070 812981306 /nfs/dbraw/zinc/98/13/06/812981306.db2.gz ROKNYYUBYDCCJU-PHIMTYICSA-N -1 1 326.418 2.256 20 0 EEADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC001611426098 971048439 /nfs/dbraw/zinc/04/84/39/971048439.db2.gz ULDCQTSZRRSFKM-ZDUSSCGKSA-N -1 1 339.461 2.057 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c1 ZINC001602139808 971154797 /nfs/dbraw/zinc/15/47/97/971154797.db2.gz BOECEVJSHQLTHO-UHFFFAOYSA-N -1 1 336.351 2.275 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 ZINC000325483178 971220109 /nfs/dbraw/zinc/22/01/09/971220109.db2.gz WNITTYIPHWXGID-HOTGVXAUSA-N -1 1 330.428 2.050 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(C)cc2C)c1-c1nnn[n-]1 ZINC000826282665 947813110 /nfs/dbraw/zinc/81/31/10/947813110.db2.gz AAHRKYBWLJUKQP-LLVKDONJSA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(C)cc2C)c1-c1nn[n-]n1 ZINC000826282665 947813118 /nfs/dbraw/zinc/81/31/18/947813118.db2.gz AAHRKYBWLJUKQP-LLVKDONJSA-N -1 1 340.387 2.200 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826343797 947995734 /nfs/dbraw/zinc/99/57/34/947995734.db2.gz NMUKUBBIWXISPA-ZKYQVNSYSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826343797 947995742 /nfs/dbraw/zinc/99/57/42/947995742.db2.gz NMUKUBBIWXISPA-ZKYQVNSYSA-N -1 1 344.419 2.133 20 0 EEADMM O=S(=O)(C=Cc1ccccc1)[N-]c1ccc(F)cc1-c1nn[nH]n1 ZINC000826483901 948399997 /nfs/dbraw/zinc/39/99/97/948399997.db2.gz FFMKMGRUIWOMRZ-HJWRWDBZSA-N -1 1 345.359 2.418 20 0 EEADMM O=C(Cc1ccc(F)cc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001570933321 948886823 /nfs/dbraw/zinc/88/68/23/948886823.db2.gz MOTRFZYWKYKKLE-UHFFFAOYSA-N -1 1 335.339 2.065 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001570934876 948956007 /nfs/dbraw/zinc/95/60/07/948956007.db2.gz IXNPZRBFRRKFIL-QWHCGFSZSA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001570934876 948956014 /nfs/dbraw/zinc/95/60/14/948956014.db2.gz IXNPZRBFRRKFIL-QWHCGFSZSA-N -1 1 339.334 2.078 20 0 EEADMM CC[C@@H](c1ccccc1)N1CCN(C(=O)NC[C@@H](C)C(=O)[O-])CC1 ZINC001589586256 949051180 /nfs/dbraw/zinc/05/11/80/949051180.db2.gz RGHSWEHAPGJAQE-ZBFHGGJFSA-N -1 1 333.432 2.186 20 0 EEADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001570949063 949632069 /nfs/dbraw/zinc/63/20/69/949632069.db2.gz LOGZAEIJQSTGBJ-UHFFFAOYSA-N -1 1 347.766 2.039 20 0 EEADMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001570949063 949632078 /nfs/dbraw/zinc/63/20/78/949632078.db2.gz LOGZAEIJQSTGBJ-UHFFFAOYSA-N -1 1 347.766 2.039 20 0 EEADMM C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)n1cccc1 ZINC001574519550 950687185 /nfs/dbraw/zinc/68/71/85/950687185.db2.gz FVFIDCKUYONUEM-NSHDSACASA-N -1 1 342.407 2.210 20 0 EEADMM C[C@@H](CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)n1cccc1 ZINC001574519550 950687199 /nfs/dbraw/zinc/68/71/99/950687199.db2.gz FVFIDCKUYONUEM-NSHDSACASA-N -1 1 342.407 2.210 20 0 EEADMM CCOC(=O)c1c(C)onc1CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC001591088138 951051338 /nfs/dbraw/zinc/05/13/38/951051338.db2.gz NZNVAWWIFCZZPH-XBFCOCLRSA-N -1 1 336.388 2.377 20 0 EEADMM O=C([O-])CN1CC[C@H](N2CCC(c3cccc(Cl)c3)CC2)C1=O ZINC001595074892 951639655 /nfs/dbraw/zinc/63/96/55/951639655.db2.gz ZOPHUBVIKIDZMF-HNNXBMFYSA-N -1 1 336.819 2.205 20 0 EEADMM CC(C)(C)c1nc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)n[nH]1 ZINC001602925454 971889002 /nfs/dbraw/zinc/88/90/02/971889002.db2.gz JOXBATUWARPFGM-UHFFFAOYSA-N -1 1 331.376 2.051 20 0 EEADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc(Cl)c(O)c1)O2 ZINC001594749376 953407978 /nfs/dbraw/zinc/40/79/78/953407978.db2.gz IQAWPDYCXFCGFY-NOEPWBJOSA-N -1 1 339.775 2.188 20 0 EEADMM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001602969655 971961984 /nfs/dbraw/zinc/96/19/84/971961984.db2.gz DRDQOEGOWQELCT-INIZCTEOSA-N -1 1 327.384 2.220 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001589321006 953874521 /nfs/dbraw/zinc/87/45/21/953874521.db2.gz JRIHAMFVXDATBQ-XIRDDKMYSA-N -1 1 332.444 2.309 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN2C2CCCC2)c2ccccc21 ZINC001594900166 954619163 /nfs/dbraw/zinc/61/91/63/954619163.db2.gz HUJYKEKJNAXXEI-ZACQAIPSSA-N -1 1 328.412 2.433 20 0 EEADMM O=C([O-])[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)Cc2ccccc21 ZINC001594953817 954968439 /nfs/dbraw/zinc/96/84/39/954968439.db2.gz OTAYNQISGGTKQW-WBQNTZJQSA-N -1 1 328.412 2.118 20 0 EEADMM COC(=O)c1ccc(-c2nc(CN3CCC[C@@H](C(=O)[O-])C3)co2)cc1 ZINC001593876659 955679122 /nfs/dbraw/zinc/67/91/22/955679122.db2.gz XPFJCIBMUNPBEO-CQSZACIVSA-N -1 1 344.367 2.425 20 0 EEADMM C[C@@H](NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1)c1cn2c(n1)CCCC2 ZINC001589126642 956163511 /nfs/dbraw/zinc/16/35/11/956163511.db2.gz IQDUMGLFAQZSQV-VUULHSHRSA-N -1 1 333.432 2.282 20 0 EEADMM COC[C@]1(C(=O)[O-])CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC001593964058 956525629 /nfs/dbraw/zinc/52/56/29/956525629.db2.gz WZIFKVKSTKYDMD-AWEZNQCLSA-N -1 1 348.182 2.262 20 0 EEADMM N[C@@H](CC(=O)[O-])c1noc(-c2ccnc(Oc3ccccc3)c2)n1 ZINC001594660234 956527011 /nfs/dbraw/zinc/52/70/11/956527011.db2.gz KOUAOYJCITUTML-LBPRGKRZSA-N -1 1 326.312 2.398 20 0 EEADMM C[C@H](C[S@@](C)=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000235481931 960442366 /nfs/dbraw/zinc/44/23/66/960442366.db2.gz HEINDHQADZAFFS-NTCNTBNZSA-N -1 1 334.235 2.004 20 0 EEADMM CC(C)(C)N1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)CC1 ZINC001571168634 962028073 /nfs/dbraw/zinc/02/80/73/962028073.db2.gz LBINMLNAYJWAGR-UHFFFAOYSA-N -1 1 325.453 2.147 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN1CCN(c2cnccn2)[C@@H](C)C1 ZINC001571204327 962398479 /nfs/dbraw/zinc/39/84/79/962398479.db2.gz JNMGSWLUMQTKSQ-NSHDSACASA-N -1 1 332.429 2.255 20 0 EEADMM 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/nfs/dbraw/zinc/00/63/56/578006356.db2.gz NHKNBSITNGMPJY-UHFFFAOYSA-N -1 1 326.404 2.448 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CCC(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000738262471 578006790 /nfs/dbraw/zinc/00/67/90/578006790.db2.gz ZJCFLVKZPWERAC-OAHLLOKOSA-N -1 1 349.431 2.231 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c(C)c1 ZINC000738069558 576387707 /nfs/dbraw/zinc/38/77/07/576387707.db2.gz KSIIEXPGAHCDSM-UHFFFAOYSA-N -1 1 342.398 2.268 20 0 EEADMM CCOC(=O)C1=C(NC(=O)CCOC)[N-]c2ccccc2N=C1C ZINC000727063259 576394384 /nfs/dbraw/zinc/39/43/84/576394384.db2.gz PCVOAULVQRXMOR-UHFFFAOYSA-N -1 1 331.372 2.132 20 0 EEADMM Cc1ccc(CN(CCC(=O)NCC(=O)[O-])Cc2ccco2)s1 ZINC000738594495 576632760 /nfs/dbraw/zinc/63/27/60/576632760.db2.gz OLNFLBNUGJNVBH-UHFFFAOYSA-N -1 1 336.413 2.243 20 0 EEADMM O=C(C[C@H]1CCc2ccccc2C1)N1CCC(c2nn[n-]n2)CC1 ZINC000737818337 577143878 /nfs/dbraw/zinc/14/38/78/577143878.db2.gz IBCSGDCSIHDIKP-ZDUSSCGKSA-N -1 1 325.416 2.101 20 0 EEADMM CCOC(=O)Nc1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1 ZINC000732222777 577160070 /nfs/dbraw/zinc/16/00/70/577160070.db2.gz YRVCJGFMRGWFFI-UHFFFAOYSA-N -1 1 325.346 2.054 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C)c1cccnc1 ZINC000733488027 577239140 /nfs/dbraw/zinc/23/91/40/577239140.db2.gz RZFZWAYFDOIXGT-LBPRGKRZSA-N -1 1 326.356 2.294 20 0 EEADMM COCCn1c(C)c(C)n(CN2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000737827870 577295385 /nfs/dbraw/zinc/29/53/85/577295385.db2.gz YSXNUVBONSBJAM-CYBMUJFWSA-N -1 1 327.450 2.036 20 0 EEADMM C[C@@H](CCc1ccccc1F)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773164004 577319975 /nfs/dbraw/zinc/31/99/75/577319975.db2.gz VUIPQUVQUHEQHU-FZMZJTMJSA-N -1 1 349.435 2.224 20 0 EEADMM O=C(c1cccc(C(F)(F)F)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773159842 577320148 /nfs/dbraw/zinc/32/01/48/577320148.db2.gz MYPPAVNHJXAMOT-JTQLQIEISA-N -1 1 343.334 2.149 20 0 EEADMM C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1nc2ccccc2[nH]1 ZINC000773794019 577365118 /nfs/dbraw/zinc/36/51/18/577365118.db2.gz TWWFHDYNEPQILI-VIFPVBQESA-N -1 1 338.396 2.385 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000774044609 577379671 /nfs/dbraw/zinc/37/96/71/577379671.db2.gz IAKIDUUGCRYMRU-NSHDSACASA-N -1 1 340.408 2.409 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774986792 577425419 /nfs/dbraw/zinc/42/54/19/577425419.db2.gz VUYYVYYCXNENQT-MRVPVSSYSA-N -1 1 335.326 2.132 20 0 EEADMM Cn1[n-]c(COC(=O)c2ccc(OCC3CCCCC3)cc2)nc1=O ZINC000765461010 577501374 /nfs/dbraw/zinc/50/13/74/577501374.db2.gz XHEQLELGALWMMA-UHFFFAOYSA-N -1 1 345.399 2.425 20 0 EEADMM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765478645 577501705 /nfs/dbraw/zinc/50/17/05/577501705.db2.gz FNNQOXLWYPUFHU-LBPRGKRZSA-N -1 1 332.404 2.230 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000767854624 577546406 /nfs/dbraw/zinc/54/64/06/577546406.db2.gz PSBXURAOVGFELI-MRVPVSSYSA-N -1 1 327.784 2.238 20 0 EEADMM CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1c([O-])cccc1Cl ZINC000768259462 577552976 /nfs/dbraw/zinc/55/29/76/577552976.db2.gz FNGSXIQEDLGJMT-CYBMUJFWSA-N -1 1 348.786 2.345 20 0 EEADMM C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccncc1 ZINC000769064433 577568552 /nfs/dbraw/zinc/56/85/52/577568552.db2.gz GVWRFZXIOSPMFK-ZDUSSCGKSA-N -1 1 326.352 2.075 20 0 EEADMM COc1cc(CCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1O ZINC000769349285 577575615 /nfs/dbraw/zinc/57/56/15/577575615.db2.gz KESKRDMAXIGCFZ-UHFFFAOYSA-N -1 1 345.399 2.301 20 0 EEADMM CCc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000770124276 577590824 /nfs/dbraw/zinc/59/08/24/577590824.db2.gz DXSLDWSRPGTRCD-UHFFFAOYSA-N -1 1 341.363 2.371 20 0 EEADMM CCC(C)(C)OCc1cccc(NC(=O)NN2CC(=O)[N-]C2=O)c1C ZINC000770546018 577598530 /nfs/dbraw/zinc/59/85/30/577598530.db2.gz PGRDBGWKPWBSCZ-UHFFFAOYSA-N -1 1 348.403 2.289 20 0 EEADMM O=C(/C=C/c1ccc(Cl)nc1)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000758708374 577629878 /nfs/dbraw/zinc/62/98/78/577629878.db2.gz KSLNFPJJOLULNJ-VQHVLOKHSA-N -1 1 344.754 2.248 20 0 EEADMM O=C(CCC(=O)c1ccc2c(c1)OCCCO2)[N-]OCC(F)F ZINC000759322196 577641042 /nfs/dbraw/zinc/64/10/42/577641042.db2.gz HZXJCDRNTADPJY-UHFFFAOYSA-N -1 1 329.299 2.124 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)c(F)c1F ZINC000760123290 577657403 /nfs/dbraw/zinc/65/74/03/577657403.db2.gz UUBJECLHRCPDJT-CYBMUJFWSA-N -1 1 333.273 2.136 20 0 EEADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cncc([O-])c1 ZINC000761572999 577686188 /nfs/dbraw/zinc/68/61/88/577686188.db2.gz OYTHXZDBDRZZRQ-ZDUSSCGKSA-N -1 1 337.420 2.456 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000763007445 577712515 /nfs/dbraw/zinc/71/25/15/577712515.db2.gz LRLFQPFEXVVSCD-OCCSQVGLSA-N -1 1 331.445 2.003 20 0 EEADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1C=O)c1nc(C2CC2)no1 ZINC000751061792 577747706 /nfs/dbraw/zinc/74/77/06/577747706.db2.gz IBSVMLHGGDBXKI-CQSZACIVSA-N -1 1 349.412 2.435 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cn1C ZINC000747412698 577943853 /nfs/dbraw/zinc/94/38/53/577943853.db2.gz YNFIEWNTYUFWKV-UHFFFAOYSA-N -1 1 346.387 2.382 20 0 EEADMM O=S(=O)(CCCCCCO)c1n[n-]c(CCC2CCCC2)n1 ZINC000749908918 577983713 /nfs/dbraw/zinc/98/37/13/577983713.db2.gz MPRFGXAFUKJVJM-UHFFFAOYSA-N -1 1 329.466 2.254 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000749998973 577985426 /nfs/dbraw/zinc/98/54/26/577985426.db2.gz XZVCNIRRQFQMFA-GOSISDBHSA-N -1 1 329.400 2.252 20 0 EEADMM Cc1nn(C)c2ncc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)cc12 ZINC000738918321 578031077 /nfs/dbraw/zinc/03/10/77/578031077.db2.gz LSKZPLGWULCWOC-HNNXBMFYSA-N -1 1 346.337 2.470 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000740020637 578077536 /nfs/dbraw/zinc/07/75/36/578077536.db2.gz PVJUATASHMIADG-UHFFFAOYSA-N -1 1 325.328 2.020 20 0 EEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2c(O)cccc2F)c1 ZINC000740143815 578082634 /nfs/dbraw/zinc/08/26/34/578082634.db2.gz KQYQZSLPJQRBHB-UHFFFAOYSA-N -1 1 329.280 2.169 20 0 EEADMM COC(=O)CC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000735297064 578142852 /nfs/dbraw/zinc/14/28/52/578142852.db2.gz JGNOAUIFQIDQKT-UHFFFAOYSA-N -1 1 347.444 2.235 20 0 EEADMM CC(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000735684655 578164699 /nfs/dbraw/zinc/16/46/99/578164699.db2.gz RSDXSNNWRZNCMC-UHFFFAOYSA-N -1 1 331.763 2.060 20 0 EEADMM CC(C)CCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735804416 578168646 /nfs/dbraw/zinc/16/86/46/578168646.db2.gz UENYHZXCRIOAJP-UHFFFAOYSA-N -1 1 343.840 2.187 20 0 EEADMM CC(C)CCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735804416 578168647 /nfs/dbraw/zinc/16/86/47/578168647.db2.gz UENYHZXCRIOAJP-UHFFFAOYSA-N -1 1 343.840 2.187 20 0 EEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198013 578186599 /nfs/dbraw/zinc/18/65/99/578186599.db2.gz PEWFYFFOFUITSM-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198013 578186600 /nfs/dbraw/zinc/18/66/00/578186600.db2.gz PEWFYFFOFUITSM-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000736221929 578187965 /nfs/dbraw/zinc/18/79/65/578187965.db2.gz COUZZEPZEDXTFM-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000736221929 578187966 /nfs/dbraw/zinc/18/79/66/578187966.db2.gz COUZZEPZEDXTFM-SFHVURJKSA-N -1 1 334.383 2.243 20 0 EEADMM CC(C)N1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736474584 578206518 /nfs/dbraw/zinc/20/65/18/578206518.db2.gz NBYBGCXLEHXYRR-UHFFFAOYSA-N -1 1 334.420 2.055 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)c2cccc(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736812138 578225105 /nfs/dbraw/zinc/22/51/05/578225105.db2.gz TUVLDEZDITZTST-CHWSQXEVSA-N -1 1 335.404 2.006 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2ccccc2C)C1)C(=O)[O-] ZINC000736874817 578227711 /nfs/dbraw/zinc/22/77/11/578227711.db2.gz DRHFGPWZTADSHN-JOQOYGCGSA-N -1 1 332.444 2.400 20 0 EEADMM CC[C@H]1CN(CCn2cccn2)CCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000736944307 578230249 /nfs/dbraw/zinc/23/02/49/578230249.db2.gz RSJGCIFAMCBJML-HNNXBMFYSA-N -1 1 346.431 2.079 20 0 EEADMM CCO[C@H]1C[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000737165124 578241579 /nfs/dbraw/zinc/24/15/79/578241579.db2.gz OJRDYTWHVWVOBW-GJZGRUSLSA-N -1 1 334.416 2.459 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NC2CCC2)c1-c1nn[n-]n1 ZINC000737189415 578242932 /nfs/dbraw/zinc/24/29/32/578242932.db2.gz MGMJUCPUPPKVPC-UHFFFAOYSA-N -1 1 330.417 2.143 20 0 EEADMM CCS[C@H]1CCCCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C1 ZINC000737232077 578244961 /nfs/dbraw/zinc/24/49/61/578244961.db2.gz XGOQEXDYFXEHNL-UONOGXRCSA-N -1 1 330.494 2.210 20 0 EEADMM CCc1cc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])[nH]n1 ZINC000737255142 578246363 /nfs/dbraw/zinc/24/63/63/578246363.db2.gz WKCRQXZRRCTWHG-SNVBAGLBSA-N -1 1 333.413 2.467 20 0 EEADMM Cc1ncsc1CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000737503218 578261273 /nfs/dbraw/zinc/26/12/73/578261273.db2.gz MINNBKCWWUOWEO-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Cc1ncsc1CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000737503218 578261274 /nfs/dbraw/zinc/26/12/74/578261274.db2.gz MINNBKCWWUOWEO-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000737770057 578269367 /nfs/dbraw/zinc/26/93/67/578269367.db2.gz GRBAOUXLAZMBDT-UHFFFAOYSA-N -1 1 346.354 2.078 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC4(C[C@H]4C(=O)[O-])CC3)o2)cc1 ZINC000737913386 578272726 /nfs/dbraw/zinc/27/27/26/578272726.db2.gz ONGYDQIRRNFMRW-AWEZNQCLSA-N -1 1 343.383 2.432 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778998 599039972 /nfs/dbraw/zinc/03/99/72/599039972.db2.gz ZXXJSZUSGDIPKF-ABAIWWIYSA-N -1 1 340.362 2.367 20 0 EEADMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820778998 599039975 /nfs/dbraw/zinc/03/99/75/599039975.db2.gz ZXXJSZUSGDIPKF-ABAIWWIYSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cnc1Cl ZINC000818853229 597315520 /nfs/dbraw/zinc/31/55/20/597315520.db2.gz TVBMGOKPEAIOOG-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM C[C@@H]1COCCN1c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820814475 607317562 /nfs/dbraw/zinc/31/75/62/607317562.db2.gz WLYOAVWZOFETLK-GFCCVEGCSA-N -1 1 340.387 2.297 20 0 EEADMM C[C@@H]1COCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820814475 607317563 /nfs/dbraw/zinc/31/75/63/607317563.db2.gz WLYOAVWZOFETLK-GFCCVEGCSA-N -1 1 340.387 2.297 20 0 EEADMM C[C@H]1CN(c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)CCO1 ZINC000820779003 607317410 /nfs/dbraw/zinc/31/74/10/607317410.db2.gz ZYLRRJBIWSIYDX-LBPRGKRZSA-N -1 1 340.387 2.297 20 0 EEADMM C[C@H]1CN(c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)CCO1 ZINC000820779003 607317411 /nfs/dbraw/zinc/31/74/11/607317411.db2.gz ZYLRRJBIWSIYDX-LBPRGKRZSA-N -1 1 340.387 2.297 20 0 EEADMM O=C([O-])CNC(=O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000821530044 597809294 /nfs/dbraw/zinc/80/92/94/597809294.db2.gz FCGWTCYAVABUGC-INIZCTEOSA-N -1 1 348.349 2.039 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(CC(=O)[O-])C(C)C)n2)cc1 ZINC000821058426 598073238 /nfs/dbraw/zinc/07/32/38/598073238.db2.gz OQYUBQICNQECTB-UHFFFAOYSA-N -1 1 348.428 2.194 20 0 EEADMM Cn1cc(CCCNc2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000822680870 599519929 /nfs/dbraw/zinc/51/99/29/599519929.db2.gz QNKISGWKELXKPO-UHFFFAOYSA-N -1 1 334.387 2.193 20 0 EEADMM Cn1cc(CCCNc2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000822680870 599519931 /nfs/dbraw/zinc/51/99/31/599519931.db2.gz QNKISGWKELXKPO-UHFFFAOYSA-N -1 1 334.387 2.193 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2c(O)cccc2F)c(F)cc1F ZINC000833303976 600684663 /nfs/dbraw/zinc/68/46/63/600684663.db2.gz CCORHNSYEHXEDC-UHFFFAOYSA-N -1 1 347.270 2.309 20 0 EEADMM CN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000830959948 600834639 /nfs/dbraw/zinc/83/46/39/600834639.db2.gz DDTDLGUCQUITPC-GJZGRUSLSA-N -1 1 345.443 2.268 20 0 EEADMM Cc1cn2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2[nH+]1 ZINC000832985197 600984827 /nfs/dbraw/zinc/98/48/27/600984827.db2.gz GYOZKSMCHWSAMM-UHFFFAOYSA-N -1 1 337.382 2.203 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC000832419328 600985813 /nfs/dbraw/zinc/98/58/13/600985813.db2.gz HMURFMRDBZHZSC-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC(C)(C)C2)c1 ZINC000831364117 601039015 /nfs/dbraw/zinc/03/90/15/601039015.db2.gz IOUBFPGUJFPCDL-LLVKDONJSA-N -1 1 348.399 2.230 20 0 EEADMM C[C@@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1)N(C)C ZINC000827957648 601137125 /nfs/dbraw/zinc/13/71/25/601137125.db2.gz NQPNIJKOJTWJAS-STQMWFEESA-N -1 1 345.399 2.413 20 0 EEADMM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)N(C)C ZINC000832803619 601409987 /nfs/dbraw/zinc/40/99/87/601409987.db2.gz QINVGHMUKVLHBF-CABZTGNLSA-N -1 1 343.221 2.031 20 0 EEADMM CCCc1nc([C@H]2CN(Cc3cc(C(=O)[O-])oc3CC)CCO2)n[nH]1 ZINC000829570156 601422341 /nfs/dbraw/zinc/42/23/41/601422341.db2.gz CJSABEQRAJTMGA-CQSZACIVSA-N -1 1 348.403 2.184 20 0 EEADMM CCCc1n[nH]c([C@H]2CN(Cc3cc(C(=O)[O-])oc3CC)CCO2)n1 ZINC000829570156 601422343 /nfs/dbraw/zinc/42/23/43/601422343.db2.gz CJSABEQRAJTMGA-CQSZACIVSA-N -1 1 348.403 2.184 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832000659 601511414 /nfs/dbraw/zinc/51/14/14/601511414.db2.gz YBAMPDDGPYAMKR-MNOVXSKESA-N -1 1 340.807 2.248 20 0 EEADMM O=C(CCCNc1cccc(-c2nnn[n-]2)n1)N1CCc2ccccc21 ZINC000826406160 607520194 /nfs/dbraw/zinc/52/01/94/607520194.db2.gz KUCQRWCNEPDGBE-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(CCCNc1cccc(-c2nn[n-]n2)n1)N1CCc2ccccc21 ZINC000826406160 607520196 /nfs/dbraw/zinc/52/01/96/607520196.db2.gz KUCQRWCNEPDGBE-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM CC(C)(C)OC(=O)C1(NCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC000824093433 607520942 /nfs/dbraw/zinc/52/09/42/607520942.db2.gz HVGTXOSQDVVTEF-UHFFFAOYSA-N -1 1 344.419 2.006 20 0 EEADMM CC(C)(C)OC(=O)C1(NCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC000824093433 607520943 /nfs/dbraw/zinc/52/09/43/607520943.db2.gz HVGTXOSQDVVTEF-UHFFFAOYSA-N -1 1 344.419 2.006 20 0 EEADMM C[C@@H](C(=O)NC(=O)Nc1ccccc1)N1CCC(CCC(=O)[O-])CC1 ZINC000825991194 601842660 /nfs/dbraw/zinc/84/26/60/601842660.db2.gz YOFZWSDTDBNEMY-ZDUSSCGKSA-N -1 1 347.415 2.300 20 0 EEADMM Cc1ccc(C[S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826288650 607530356 /nfs/dbraw/zinc/53/03/56/607530356.db2.gz QPZPXDLXFMIBCS-HSZRJFAPSA-N -1 1 327.413 2.327 20 0 EEADMM Cc1ccc(C[S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826288650 607530358 /nfs/dbraw/zinc/53/03/58/607530358.db2.gz QPZPXDLXFMIBCS-HSZRJFAPSA-N -1 1 327.413 2.327 20 0 EEADMM CC[C@H]1C[C@H](C)CN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829076017 601881583 /nfs/dbraw/zinc/88/15/83/601881583.db2.gz ZFOSJIFXTDENBE-JSGCOSHPSA-N -1 1 345.399 2.231 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1[C@H]1CCCN(c2ccccc2)C1=O ZINC000833222909 601925849 /nfs/dbraw/zinc/92/58/49/601925849.db2.gz RIICTOQZOFVJIB-CABCVRRESA-N -1 1 334.441 2.074 20 0 EEADMM CCCc1nc([C@@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)n[nH]1 ZINC000829571770 601960519 /nfs/dbraw/zinc/96/05/19/601960519.db2.gz WAEHFQMHTDJESU-NSHDSACASA-N -1 1 336.417 2.090 20 0 EEADMM CCCc1n[nH]c([C@@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)n1 ZINC000829571770 601960523 /nfs/dbraw/zinc/96/05/23/601960523.db2.gz WAEHFQMHTDJESU-NSHDSACASA-N -1 1 336.417 2.090 20 0 EEADMM CCN(C1CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825395379 607619528 /nfs/dbraw/zinc/61/95/28/607619528.db2.gz OPMIBNGKBYIJKE-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM CCN(C1CCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825395379 607619529 /nfs/dbraw/zinc/61/95/29/607619529.db2.gz OPMIBNGKBYIJKE-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM COc1cc(CNC2CN(C(=O)[O-])C2)ccc1OCC(F)(F)F ZINC000829125500 604419752 /nfs/dbraw/zinc/41/97/52/604419752.db2.gz UDENSZAELIBKMW-UHFFFAOYSA-N -1 1 334.294 2.088 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCCc2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC000833658773 604603683 /nfs/dbraw/zinc/60/36/83/604603683.db2.gz VGSUHCUKWFWFPL-UONOGXRCSA-N -1 1 333.432 2.051 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN3C(=O)NC3CN(C(=O)[O-])C3)[nH]c2c1 ZINC000830433521 604608073 /nfs/dbraw/zinc/60/80/73/604608073.db2.gz VWRGOZVAXNJUDJ-CQSZACIVSA-N -1 1 343.387 2.080 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])n[nH]1 ZINC000833511947 605023009 /nfs/dbraw/zinc/02/30/09/605023009.db2.gz GBOUCRFDEHHFAI-LLVKDONJSA-N -1 1 330.388 2.436 20 0 EEADMM CCC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N(C)C ZINC000833648665 605056837 /nfs/dbraw/zinc/05/68/37/605056837.db2.gz WGVNFRVEJODIBL-LBPRGKRZSA-N -1 1 328.796 2.472 20 0 EEADMM COc1cc2c(cc1OC)CCN(Cc1ccc(C(=O)[O-])[nH]1)CC2 ZINC000833730186 605106191 /nfs/dbraw/zinc/10/61/91/605106191.db2.gz LBKKNEAXNBJLAL-UHFFFAOYSA-N -1 1 330.384 2.331 20 0 EEADMM C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1CCC(=O)[O-] ZINC000833621095 605256780 /nfs/dbraw/zinc/25/67/80/605256780.db2.gz JPTWSOJYTIAXFJ-NSHDSACASA-N -1 1 349.818 2.442 20 0 EEADMM Cc1nc2n(n1)C[C@@H](N[C@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833756404 605359312 /nfs/dbraw/zinc/35/93/12/605359312.db2.gz JWMBBBFXQPTADZ-XPTSAGLGSA-N -1 1 338.770 2.109 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1)C(=O)[O-] ZINC000833540445 605751785 /nfs/dbraw/zinc/75/17/85/605751785.db2.gz JYODYBBFQWZLML-LLVKDONJSA-N -1 1 347.333 2.428 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC1(C)C ZINC000822534916 606152345 /nfs/dbraw/zinc/15/23/45/606152345.db2.gz CAUUIJUWPMKWCM-UHFFFAOYSA-N -1 1 326.360 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC1(C)C ZINC000822534916 606152347 /nfs/dbraw/zinc/15/23/47/606152347.db2.gz CAUUIJUWPMKWCM-UHFFFAOYSA-N -1 1 326.360 2.183 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000822531181 606239126 /nfs/dbraw/zinc/23/91/26/606239126.db2.gz WFFVXEKBZDGXEV-FPLPWBNLSA-N -1 1 344.375 2.447 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000822531181 606239129 /nfs/dbraw/zinc/23/91/29/606239129.db2.gz WFFVXEKBZDGXEV-FPLPWBNLSA-N -1 1 344.375 2.447 20 0 EEADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821457134 606364907 /nfs/dbraw/zinc/36/49/07/606364907.db2.gz URTBKIOFUPGARO-NWDGAFQWSA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821457134 606364908 /nfs/dbraw/zinc/36/49/08/606364908.db2.gz URTBKIOFUPGARO-NWDGAFQWSA-N -1 1 332.433 2.056 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821368688 606399248 /nfs/dbraw/zinc/39/92/48/606399248.db2.gz UVQKTKRKSIWZDF-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821368688 606399250 /nfs/dbraw/zinc/39/92/50/606399250.db2.gz UVQKTKRKSIWZDF-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM COC(=O)CCCCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821660142 606451961 /nfs/dbraw/zinc/45/19/61/606451961.db2.gz HIKAEWSFKVYOAM-UHFFFAOYSA-N -1 1 338.799 2.451 20 0 EEADMM COC(=O)CCCCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821660142 606451962 /nfs/dbraw/zinc/45/19/62/606451962.db2.gz HIKAEWSFKVYOAM-UHFFFAOYSA-N -1 1 338.799 2.451 20 0 EEADMM OC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC000823705850 606467793 /nfs/dbraw/zinc/46/77/93/606467793.db2.gz HZGNDGUUARUIQH-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM OC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC000823705850 606467795 /nfs/dbraw/zinc/46/77/95/606467795.db2.gz HZGNDGUUARUIQH-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000820813313 606498526 /nfs/dbraw/zinc/49/85/26/606498526.db2.gz DHNREGRDMHPTNF-SECBINFHSA-N -1 1 341.387 2.405 20 0 EEADMM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323566 606509197 /nfs/dbraw/zinc/50/91/97/606509197.db2.gz UIYYZGDNAWCHJH-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323566 606509198 /nfs/dbraw/zinc/50/91/98/606509198.db2.gz UIYYZGDNAWCHJH-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM COCCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821693488 606515400 /nfs/dbraw/zinc/51/54/00/606515400.db2.gz AVIGDJSITGACEQ-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COCCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821693488 606515401 /nfs/dbraw/zinc/51/54/01/606515401.db2.gz AVIGDJSITGACEQ-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2ccccc2F)o1 ZINC000823289412 606532924 /nfs/dbraw/zinc/53/29/24/606532924.db2.gz IPESKKJTRLOCJS-UHFFFAOYSA-N -1 1 339.290 2.241 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(-c2ccccc2F)o1 ZINC000823289412 606532926 /nfs/dbraw/zinc/53/29/26/606532926.db2.gz IPESKKJTRLOCJS-UHFFFAOYSA-N -1 1 339.290 2.241 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c2n[nH]cc21 ZINC000822254791 606539896 /nfs/dbraw/zinc/53/98/96/606539896.db2.gz RKNOLZGFWFIRHO-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c2n[nH]cc21 ZINC000822254791 606539897 /nfs/dbraw/zinc/53/98/97/606539897.db2.gz RKNOLZGFWFIRHO-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM O=C(Nc1ncccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823383396 606549731 /nfs/dbraw/zinc/54/97/31/606549731.db2.gz QURZXYKXMNXKQI-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=C(Nc1ncccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823383396 606549732 /nfs/dbraw/zinc/54/97/32/606549732.db2.gz QURZXYKXMNXKQI-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823482909 606551596 /nfs/dbraw/zinc/55/15/96/606551596.db2.gz BVXRXVOXQBKYTM-VHSXEESVSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000823482909 606551597 /nfs/dbraw/zinc/55/15/97/606551597.db2.gz BVXRXVOXQBKYTM-VHSXEESVSA-N -1 1 335.458 2.428 20 0 EEADMM O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166766 606591884 /nfs/dbraw/zinc/59/18/84/606591884.db2.gz OSYIZAFECVQLQM-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166766 606591885 /nfs/dbraw/zinc/59/18/85/606591885.db2.gz OSYIZAFECVQLQM-JTQLQIEISA-N -1 1 349.803 2.045 20 0 EEADMM Clc1nsc(N2CC[C@H](Oc3cccnc3)C2)c1-c1nnn[n-]1 ZINC000822589911 606790010 /nfs/dbraw/zinc/79/00/10/606790010.db2.gz CXZWITDABIEZQC-VIFPVBQESA-N -1 1 349.807 2.029 20 0 EEADMM Clc1nsc(N2CC[C@H](Oc3cccnc3)C2)c1-c1nn[n-]n1 ZINC000822589911 606790011 /nfs/dbraw/zinc/79/00/11/606790011.db2.gz CXZWITDABIEZQC-VIFPVBQESA-N -1 1 349.807 2.029 20 0 EEADMM Clc1cccnc1N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822591926 606875942 /nfs/dbraw/zinc/87/59/42/606875942.db2.gz ZDBQTLPTWSZWAG-SNVBAGLBSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccnc1N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822591926 606875943 /nfs/dbraw/zinc/87/59/43/606875943.db2.gz ZDBQTLPTWSZWAG-SNVBAGLBSA-N -1 1 342.794 2.001 20 0 EEADMM CCS[C@H](C)c1noc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000821448883 607043161 /nfs/dbraw/zinc/04/31/61/607043161.db2.gz PDPHHGOLYZOGJC-SECBINFHSA-N -1 1 346.420 2.095 20 0 EEADMM CCS[C@H](C)c1noc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000821448883 607043163 /nfs/dbraw/zinc/04/31/63/607043163.db2.gz PDPHHGOLYZOGJC-SECBINFHSA-N -1 1 346.420 2.095 20 0 EEADMM O=C(CNc1ccccc1Cl)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823013987 607108749 /nfs/dbraw/zinc/10/87/49/607108749.db2.gz FCYHIWFNDLALKU-UHFFFAOYSA-N -1 1 335.780 2.027 20 0 EEADMM O=C(CNc1ccccc1Cl)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823013987 607108750 /nfs/dbraw/zinc/10/87/50/607108750.db2.gz FCYHIWFNDLALKU-UHFFFAOYSA-N -1 1 335.780 2.027 20 0 EEADMM O=C(N[C@H](c1cccnc1)C1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426985 608008805 /nfs/dbraw/zinc/00/88/05/608008805.db2.gz BUGONKLHTGQVFB-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@H](c1cccnc1)C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426985 608008806 /nfs/dbraw/zinc/00/88/06/608008806.db2.gz BUGONKLHTGQVFB-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000826181540 608014442 /nfs/dbraw/zinc/01/44/42/608014442.db2.gz CSWCYMUUGIMXFP-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM COc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000826181540 608014443 /nfs/dbraw/zinc/01/44/43/608014443.db2.gz CSWCYMUUGIMXFP-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824390902 608123045 /nfs/dbraw/zinc/12/30/45/608123045.db2.gz FHYOIGJTNSSVTH-BQBZGAKWSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](C[C@H](O)c1ccco1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824390902 608123046 /nfs/dbraw/zinc/12/30/46/608123046.db2.gz FHYOIGJTNSSVTH-BQBZGAKWSA-N -1 1 340.796 2.494 20 0 EEADMM Brc1csc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000823837383 608399157 /nfs/dbraw/zinc/39/91/57/608399157.db2.gz CRTALEKFVXWWOE-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1csc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000823837383 608399159 /nfs/dbraw/zinc/39/91/59/608399159.db2.gz CRTALEKFVXWWOE-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Fc1ccc(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826373927 608410708 /nfs/dbraw/zinc/41/07/08/608410708.db2.gz FNTLEKRQOGPANQ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccc(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826373927 608410709 /nfs/dbraw/zinc/41/07/09/608410709.db2.gz FNTLEKRQOGPANQ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ccc3c(c2)COC3)c2ccccc21 ZINC000826501376 609312093 /nfs/dbraw/zinc/31/20/93/609312093.db2.gz NHPAYGYZEPEIOD-UHFFFAOYSA-N -1 1 345.362 2.260 20 0 EEADMM CC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825069130 609361008 /nfs/dbraw/zinc/36/10/08/609361008.db2.gz YHOKSAXXJYHXJP-SECBINFHSA-N -1 1 344.354 2.112 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020808594 675506036 /nfs/dbraw/zinc/50/60/36/675506036.db2.gz KSDPVQOUUXFGOU-CHWSQXEVSA-N -1 1 333.432 2.048 20 0 EEADMM C[C@@H]1CCn2cc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)nc2C1 ZINC000891612900 676722583 /nfs/dbraw/zinc/72/25/83/676722583.db2.gz DMQBYNMAEJAZMS-SNVBAGLBSA-N -1 1 327.388 2.092 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627257 676735419 /nfs/dbraw/zinc/73/54/19/676735419.db2.gz USYPYTRPCWPTGD-CYBMUJFWSA-N -1 1 346.431 2.037 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@H]1CCOC1 ZINC000052171999 678889124 /nfs/dbraw/zinc/88/91/24/678889124.db2.gz PJBVZXPCIBXPGJ-LBPRGKRZSA-N -1 1 327.402 2.032 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cocc1C ZINC000984800606 685275516 /nfs/dbraw/zinc/27/55/16/685275516.db2.gz AXQSTNWVSSMUSY-UONOGXRCSA-N -1 1 343.383 2.112 20 0 EEADMM COCc1nc(N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)cc(=O)[n-]1 ZINC000894105038 681225443 /nfs/dbraw/zinc/22/54/43/681225443.db2.gz DOUFTMVKUFYWHE-BFQNTYOBSA-N -1 1 347.419 2.134 20 0 EEADMM O=C(CC1CCC1)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937311111 681252739 /nfs/dbraw/zinc/25/27/39/681252739.db2.gz MZLYFXSWSPIDOR-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC000937147185 681481267 /nfs/dbraw/zinc/48/12/67/681481267.db2.gz ZITXPQVSVIZZGZ-CYBMUJFWSA-N -1 1 347.390 2.258 20 0 EEADMM Cc1cc(N2C[C@@H](C(=O)[N-]OCc3ccccn3)CC2=O)ccc1F ZINC000909542938 685464255 /nfs/dbraw/zinc/46/42/55/685464255.db2.gz ZZMILVKXHKYVOT-ZDUSSCGKSA-N -1 1 343.358 2.130 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000310733547 681643696 /nfs/dbraw/zinc/64/36/96/681643696.db2.gz CWRLLXLGAKTHDJ-CZUORRHYSA-N -1 1 339.395 2.173 20 0 EEADMM Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)c3ncccc3O)C2)sc1C ZINC001028501122 681662803 /nfs/dbraw/zinc/66/28/03/681662803.db2.gz UJTPCCNDMVAISZ-CYBMUJFWSA-N -1 1 346.456 2.112 20 0 EEADMM CC1(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCCCCC1 ZINC001024986307 681675612 /nfs/dbraw/zinc/67/56/12/681675612.db2.gz LMOIXTIDXTUFBO-AWEZNQCLSA-N -1 1 349.479 2.342 20 0 EEADMM COc1cc[n-]c(=NNS(=O)(=O)C=Cc2ccccc2Cl)n1 ZINC000066579764 681696765 /nfs/dbraw/zinc/69/67/65/681696765.db2.gz MEKQWDGGYHGKOW-VQHVLOKHSA-N -1 1 340.792 2.056 20 0 EEADMM CC(=O)c1cccc(OCC(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066638202 681782005 /nfs/dbraw/zinc/78/20/05/681782005.db2.gz IWBWZPOVIVHBTN-UHFFFAOYSA-N -1 1 346.412 2.173 20 0 EEADMM CC(C)c1ccoc1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025056125 681896760 /nfs/dbraw/zinc/89/67/60/681896760.db2.gz ZXNGZDQALKZBBF-GFCCVEGCSA-N -1 1 347.419 2.011 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025202528 682207049 /nfs/dbraw/zinc/20/70/49/682207049.db2.gz YMIUMTYLKMIRQF-ZIAGYGMSSA-N -1 1 349.479 2.292 20 0 EEADMM Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000973196537 682294224 /nfs/dbraw/zinc/29/42/24/682294224.db2.gz FMAWXGHOIVEHKP-HAQNSBGRSA-N -1 1 345.424 2.156 20 0 EEADMM CC1(C)CCC(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000973199761 682297036 /nfs/dbraw/zinc/29/70/36/682297036.db2.gz SHPLHPZYVZSCEP-HDJSIYSDSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)c3ncccc3O)C2)on1 ZINC001025397071 682671281 /nfs/dbraw/zinc/67/12/81/682671281.db2.gz LLUVUPHETFRYHO-KBPBESRZSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)co1 ZINC000983577642 682886248 /nfs/dbraw/zinc/88/62/48/682886248.db2.gz PJNUWQCQGUWJDB-ZIAGYGMSSA-N -1 1 343.383 2.160 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCC2)C1 ZINC000973674423 682891889 /nfs/dbraw/zinc/89/18/89/682891889.db2.gz LYRGGTRBHNDOIT-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCc2cccc(Cl)c2)C1 ZINC000909406643 682915118 /nfs/dbraw/zinc/91/51/18/682915118.db2.gz GXDXGJBXHXEWTJ-CQSZACIVSA-N -1 1 338.835 2.185 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])C2)o1 ZINC000983845054 683609818 /nfs/dbraw/zinc/60/98/18/683609818.db2.gz HOJALGDPMZHMIO-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000983856264 683621579 /nfs/dbraw/zinc/62/15/79/683621579.db2.gz AGQJSJCDTXPWBM-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000974056606 684274613 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EEADMM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)cn1 ZINC000909595935 686514632 /nfs/dbraw/zinc/51/46/32/686514632.db2.gz BAJMSUVMQADHTR-HNNXBMFYSA-N -1 1 348.447 2.438 20 0 EEADMM CC(C)(CNC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)[O-] ZINC000901486799 694049190 /nfs/dbraw/zinc/04/91/90/694049190.db2.gz QJTUHLQCAZNUFQ-UHFFFAOYSA-N -1 1 340.177 2.166 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000985573579 687186944 /nfs/dbraw/zinc/18/69/44/687186944.db2.gz YPPMXKGQWKNBKU-UHFFFAOYSA-N -1 1 337.468 2.005 20 0 EEADMM C[C@@H](C(=O)NCC1(C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000909641875 687326381 /nfs/dbraw/zinc/32/63/81/687326381.db2.gz KQJGSZUFTAEVHA-HNNXBMFYSA-N -1 1 344.455 2.311 20 0 EEADMM CC[C@@H](C)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000986903563 689047831 /nfs/dbraw/zinc/04/78/31/689047831.db2.gz YQCSUYNCKBZYPV-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM COc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC(C)C ZINC000904047798 694282777 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COC(=O)c1cncc(NC(=O)c2ccc3ccc(C)nc3c2[O-])n1 ZINC001155652554 1317690441 /nfs/dbraw/zinc/69/04/41/1317690441.db2.gz YGJIKWGXUUMHMJ-UHFFFAOYSA-N -1 1 338.323 2.078 20 0 EEADMM CN(C)c1nc(NC(=O)c2cc(O)cc3[nH]ccc32)c(N=O)c(=O)[n-]1 ZINC001155956297 1317801354 /nfs/dbraw/zinc/80/13/54/1317801354.db2.gz BOWVSNYCCWNYNA-UHFFFAOYSA-N -1 1 342.315 2.085 20 0 EEADMM CC(=O)c1ccc(-c2noc(-c3nnc(Br)[n-]3)n2)cc1 ZINC001213000891 1317913754 /nfs/dbraw/zinc/91/37/54/1317913754.db2.gz DJOBUBQSZYALEE-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM CC(=O)c1ccc(-c2noc(-c3n[n-]c(Br)n3)n2)cc1 ZINC001213000891 1317913756 /nfs/dbraw/zinc/91/37/56/1317913756.db2.gz DJOBUBQSZYALEE-UHFFFAOYSA-N -1 1 334.133 2.487 20 0 EEADMM Cc1n[nH]c(C(=O)NCCCN[C@H](C)c2nc3ccccc3o2)c1[O-] ZINC001156626562 1318117238 /nfs/dbraw/zinc/11/72/38/1318117238.db2.gz LCXQAQNFPXOLFT-LLVKDONJSA-N -1 1 343.387 2.036 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cncc(Cl)n2)Cc2ccccc2C1 ZINC001157156738 1318443702 /nfs/dbraw/zinc/44/37/02/1318443702.db2.gz OEBIISRIDROKRM-UHFFFAOYSA-N -1 1 325.692 2.215 20 0 EEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)CC1 ZINC001257504790 1319010903 /nfs/dbraw/zinc/01/09/03/1319010903.db2.gz SMDXGZVNDAKPAB-UHFFFAOYSA-N -1 1 330.214 2.039 20 0 EEADMM O=C1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257515474 1319015748 /nfs/dbraw/zinc/01/57/48/1319015748.db2.gz KPSBDTPPTBJCGZ-YFKPBYRVSA-N -1 1 332.255 2.365 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCCOCc3ccccc3)ccnc1-2 ZINC001258503414 1319280799 /nfs/dbraw/zinc/28/07/99/1319280799.db2.gz GQXWDSGXUGUGQS-UHFFFAOYSA-N -1 1 339.399 2.070 20 0 EEADMM Cc1cc(O)cnc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258978049 1319399459 /nfs/dbraw/zinc/39/94/59/1319399459.db2.gz DHXDMNPSBHGTLU-BDJLRTHQSA-N -1 1 338.429 2.233 20 0 EEADMM O=S(=O)([N-][C@H]1CCCc2nccnc21)c1ccc(F)c(F)c1F ZINC001259082597 1319434287 /nfs/dbraw/zinc/43/42/87/1319434287.db2.gz GSHLEBAMXCHSNY-JTQLQIEISA-N -1 1 343.330 2.250 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)c1cn2cccnc2n1 ZINC001158825087 1319455086 /nfs/dbraw/zinc/45/50/86/1319455086.db2.gz GSQQGAISUSHJHQ-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM CN(C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccccn3)cccc21 ZINC001259289678 1319513070 /nfs/dbraw/zinc/51/30/70/1319513070.db2.gz SETPJEZVIMMCCO-AWEZNQCLSA-N -1 1 333.413 2.268 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cncc(-c4ccc(F)cc4)n3)c2[nH]1 ZINC001159195388 1319672326 /nfs/dbraw/zinc/67/23/26/1319672326.db2.gz PMVWSCRVTXZKGB-UHFFFAOYSA-N -1 1 339.290 2.055 20 0 EEADMM Cc1nc(C)c(-c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)nn2)s1 ZINC001159199453 1319678580 /nfs/dbraw/zinc/67/85/80/1319678580.db2.gz LEVPROMEHCVZRV-UHFFFAOYSA-N -1 1 340.372 2.332 20 0 EEADMM CCn1nnc(-c2ccccc2[N-]S(=O)(=O)C2CCCCC2)n1 ZINC001259816219 1319693780 /nfs/dbraw/zinc/69/37/80/1319693780.db2.gz SEXMPHRCHYQBAK-UHFFFAOYSA-N -1 1 335.433 2.434 20 0 EEADMM CSc1nc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc(=O)[n-]1 ZINC001259855623 1319709609 /nfs/dbraw/zinc/70/96/09/1319709609.db2.gz NFBRVNKSSYOMRS-UHFFFAOYSA-N -1 1 337.426 2.194 20 0 EEADMM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC001260325294 1319865910 /nfs/dbraw/zinc/86/59/10/1319865910.db2.gz WINYKVWHCXEUTQ-CDUCUWFYSA-N -1 1 326.162 2.414 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)CCOC1 ZINC001260207673 1319831712 /nfs/dbraw/zinc/83/17/12/1319831712.db2.gz JALWUGBUHSAUBT-GFCCVEGCSA-N -1 1 325.764 2.323 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)O)c2)c1 ZINC001260838025 1319988720 /nfs/dbraw/zinc/98/87/20/1319988720.db2.gz ACGAPYOOLYIEDD-LLVKDONJSA-N -1 1 335.381 2.327 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)c1 ZINC001260845565 1319991079 /nfs/dbraw/zinc/99/10/79/1319991079.db2.gz ZZQHMRTXBYOJPO-UHFFFAOYSA-N -1 1 348.336 2.121 20 0 EEADMM CSc1ncc(-c2nc(-c3ccnc(C(C)=O)c3)no2)c(=O)[n-]1 ZINC001213019902 1320040976 /nfs/dbraw/zinc/04/09/76/1320040976.db2.gz XKFKVXQGWKZQHV-UHFFFAOYSA-N -1 1 329.341 2.219 20 0 EEADMM CC(C)(C)NC(=O)c1ccc(NCC[N-]C(=O)C(F)(F)F)cc1 ZINC001164244116 1321328514 /nfs/dbraw/zinc/32/85/14/1321328514.db2.gz VGRILJSNSROHAI-UHFFFAOYSA-N -1 1 331.338 2.305 20 0 EEADMM Cc1cc2c(c(N3CC[C@](CF)(C(F)(F)F)C3)n1)C(=O)[N-]C2=O ZINC001164267830 1321335171 /nfs/dbraw/zinc/33/51/71/1321335171.db2.gz KVRHFKGEGJWFPI-CYBMUJFWSA-N -1 1 331.269 2.002 20 0 EEADMM CNC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260997941 1321997030 /nfs/dbraw/zinc/99/70/30/1321997030.db2.gz AQJRVMLLAWBXRC-UHFFFAOYSA-N -1 1 332.425 2.393 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000390954263 1322820980 /nfs/dbraw/zinc/82/09/80/1322820980.db2.gz RQHRHZFGSCQVJD-UHFFFAOYSA-N -1 1 334.328 2.285 20 0 EEADMM COc1cccc2ncnc(NCc3cc(=O)[n-]c(SC)n3)c21 ZINC001307152117 1328500796 /nfs/dbraw/zinc/50/07/96/1328500796.db2.gz FVLDDNUHVIARAI-UHFFFAOYSA-N -1 1 329.385 2.468 20 0 EEADMM O=C([O-])c1sccc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001608475975 1351702035 /nfs/dbraw/zinc/70/20/35/1351702035.db2.gz UYQSNYRAOQRWJX-UHFFFAOYSA-N -1 1 346.343 2.301 20 0 EEADMM O=C([O-])c1sccc1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001608475975 1351702041 /nfs/dbraw/zinc/70/20/41/1351702041.db2.gz UYQSNYRAOQRWJX-UHFFFAOYSA-N -1 1 346.343 2.301 20 0 EEADMM CCOc1ccc2ccccc2c1C(=O)[N-]n1cnn(CC)c1=O ZINC001298671601 1330110595 /nfs/dbraw/zinc/11/05/95/1330110595.db2.gz KAQWDHSNSPFXJP-UHFFFAOYSA-N -1 1 326.356 2.001 20 0 EEADMM C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001590207542 1349201052 /nfs/dbraw/zinc/20/10/52/1349201052.db2.gz SGFLPYLWGOIPLE-IONNQARKSA-N -1 1 328.298 2.260 20 0 EEADMM C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001590207542 1349201057 /nfs/dbraw/zinc/20/10/57/1349201057.db2.gz SGFLPYLWGOIPLE-IONNQARKSA-N -1 1 328.298 2.260 20 0 EEADMM FC(F)Oc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1Cl ZINC001592627094 1349679782 /nfs/dbraw/zinc/67/97/82/1349679782.db2.gz WUZIFGIGRJEBSF-UHFFFAOYSA-N -1 1 341.709 2.457 20 0 EEADMM FC(F)Oc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1Cl ZINC001592627094 1349679787 /nfs/dbraw/zinc/67/97/87/1349679787.db2.gz WUZIFGIGRJEBSF-UHFFFAOYSA-N -1 1 341.709 2.457 20 0 EEADMM Cc1cc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)ncn1 ZINC001600193748 1349989255 /nfs/dbraw/zinc/98/92/55/1349989255.db2.gz RYDYHDSAHZUBKB-UHFFFAOYSA-N -1 1 332.429 2.394 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@H]1CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001601813839 1350370670 /nfs/dbraw/zinc/37/06/70/1350370670.db2.gz OZCJTCHTNYKJTF-RDJZCZTQSA-N -1 1 348.418 2.361 20 0 EEADMM O=C([O-])[C@@H]1CN(c2ncnc3[nH]cnc32)C[C@H]1c1ccc(Cl)cc1 ZINC001602189868 1350461480 /nfs/dbraw/zinc/46/14/80/1350461480.db2.gz DUYKNHYBGXSMEK-NWDGAFQWSA-N -1 1 343.774 2.311 20 0 EEADMM CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)c(F)cc1C ZINC001604344594 1350920573 /nfs/dbraw/zinc/92/05/73/1350920573.db2.gz VWOJRNMJLJPRKW-AWEZNQCLSA-N -1 1 332.383 2.127 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001605058845 1351069068 /nfs/dbraw/zinc/06/90/68/1351069068.db2.gz GAROIYGPSKZTHF-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001605058845 1351069071 /nfs/dbraw/zinc/06/90/71/1351069071.db2.gz GAROIYGPSKZTHF-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COC(=O)c1ccc(Oc2nc(C)cc(-c3nnn[n-]3)n2)cc1Cl ZINC001604979362 1351044068 /nfs/dbraw/zinc/04/40/68/1351044068.db2.gz SPWZQHXZORSEDP-UHFFFAOYSA-N -1 1 346.734 2.197 20 0 EEADMM COC(=O)c1ccc(Oc2nc(C)cc(-c3nn[n-]n3)n2)cc1Cl ZINC001604979362 1351044070 /nfs/dbraw/zinc/04/40/70/1351044070.db2.gz SPWZQHXZORSEDP-UHFFFAOYSA-N -1 1 346.734 2.197 20 0 EEADMM CC[C@@](NC(=O)CCCCc1c[nH]nn1)(C(=O)[O-])c1ccccc1 ZINC001605070225 1351071703 /nfs/dbraw/zinc/07/17/03/1351071703.db2.gz WXYJHVJAFKKZHM-KRWDZBQOSA-N -1 1 330.388 2.024 20 0 EEADMM CCCCn1c(=O)[nH]nc1SCC(=O)c1ccc(C(=O)[O-])o1 ZINC001605292376 1351126661 /nfs/dbraw/zinc/12/66/61/1351126661.db2.gz RFEOOXPKWVFYKR-UHFFFAOYSA-N -1 1 325.346 2.050 20 0 EEADMM Fc1ccc(O[C@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)cc1 ZINC001606322927 1351292750 /nfs/dbraw/zinc/29/27/50/1351292750.db2.gz KUQOOYSXZSXGCR-AWEZNQCLSA-N -1 1 326.335 2.059 20 0 EEADMM Fc1ccc(O[C@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)cc1 ZINC001606322927 1351292754 /nfs/dbraw/zinc/29/27/54/1351292754.db2.gz KUQOOYSXZSXGCR-AWEZNQCLSA-N -1 1 326.335 2.059 20 0 EEADMM Cc1cc(NCc2cccnc2OCC(F)F)nc(-c2nnn[n-]2)c1 ZINC001605740310 1351220645 /nfs/dbraw/zinc/22/06/45/1351220645.db2.gz SHKKFKJLGJBEJV-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1cc(NCc2cccnc2OCC(F)F)nc(-c2nn[n-]n2)c1 ZINC001605740310 1351220646 /nfs/dbraw/zinc/22/06/46/1351220646.db2.gz SHKKFKJLGJBEJV-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(F)cc1I ZINC001306847832 1331491220 /nfs/dbraw/zinc/49/12/20/1331491220.db2.gz APKODICTPBVEQF-UHFFFAOYSA-N -1 1 347.087 2.111 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3[nH]2)sn1 ZINC001309569667 1331634939 /nfs/dbraw/zinc/63/49/39/1331634939.db2.gz CBCNVVQUIMVUPA-UHFFFAOYSA-N -1 1 342.833 2.460 20 0 EEADMM Cc1n[n-]cc1S(=O)(=O)Oc1c(F)cccc1Br ZINC001309735052 1331640230 /nfs/dbraw/zinc/64/02/30/1331640230.db2.gz GVOIWOBJGLZIGQ-UHFFFAOYSA-N -1 1 335.154 2.387 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NCC1CC=CC1 ZINC001313020923 1331796416 /nfs/dbraw/zinc/79/64/16/1331796416.db2.gz NSBIHRUQQKEGMW-JQWIXIFHSA-N -1 1 333.354 2.194 20 0 EEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2C2CC2)cc1 ZINC001608783323 1351762186 /nfs/dbraw/zinc/76/21/86/1351762186.db2.gz IMGPQQWVKUSCLF-UHFFFAOYSA-N -1 1 332.381 2.387 20 0 EEADMM O=C([O-])c1cc(CNCc2cccc(OCC(F)(F)F)n2)c[nH]1 ZINC001608843301 1351777209 /nfs/dbraw/zinc/77/72/09/1351777209.db2.gz APUKFJSSJSOEON-UHFFFAOYSA-N -1 1 329.278 2.339 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)nn1 ZINC001608905180 1351790948 /nfs/dbraw/zinc/79/09/48/1351790948.db2.gz FAPOPTSCSFTYCE-BQYQJAHWSA-N -1 1 339.760 2.241 20 0 EEADMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319777260 1332765389 /nfs/dbraw/zinc/76/53/89/1332765389.db2.gz BQQZECKROBZJIL-UHFFFAOYSA-N -1 1 341.260 2.465 20 0 EEADMM O=C([O-])c1cnc(CN2CCC(c3c[nH]c4ncccc34)CC2)cn1 ZINC001608971523 1351804939 /nfs/dbraw/zinc/80/49/39/1351804939.db2.gz MHHKIBXKDDJYKG-UHFFFAOYSA-N -1 1 337.383 2.431 20 0 EEADMM O=C([O-])c1coc(/C=C/C(=O)N2CCN[C@H](Cc3ccccc3)C2)c1 ZINC001608987915 1351808878 /nfs/dbraw/zinc/80/88/78/1351808878.db2.gz ZKQCEWFOSPRQMW-FYCOFBDGSA-N -1 1 340.379 2.034 20 0 EEADMM C[C@H](CCCNCc1c(Cl)cccc1S(C)(=O)=O)C(=O)[O-] ZINC001320866032 1332968545 /nfs/dbraw/zinc/96/85/45/1332968545.db2.gz BJKNDXHPWMFTIO-SNVBAGLBSA-N -1 1 333.837 2.334 20 0 EEADMM O=C([O-])[C@]12CN(C(=O)c3c[nH]c4ccccc4c3=O)C[C@H]1CCCC2 ZINC001609027464 1351818757 /nfs/dbraw/zinc/81/87/57/1351818757.db2.gz WRPLFYPTGXNBQL-CWTRNNRKSA-N -1 1 340.379 2.245 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001609071902 1351830938 /nfs/dbraw/zinc/83/09/38/1351830938.db2.gz UWMNZYVADRTHLJ-ZETCQYMHSA-N -1 1 348.388 2.423 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001609071902 1351830939 /nfs/dbraw/zinc/83/09/39/1351830939.db2.gz UWMNZYVADRTHLJ-ZETCQYMHSA-N -1 1 348.388 2.423 20 0 EEADMM O=S(=O)([N-]CCC[C@@H]1CCOC1)c1cnc(Cl)cc1Cl ZINC001324439408 1333683561 /nfs/dbraw/zinc/68/35/61/1333683561.db2.gz DMKCDIWOBHELLR-SECBINFHSA-N -1 1 339.244 2.483 20 0 EEADMM C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324734910 1333748918 /nfs/dbraw/zinc/74/89/18/1333748918.db2.gz ZHIYWIDPKIRVHB-ZETCQYMHSA-N -1 1 327.233 2.216 20 0 EEADMM CC(C)C[C@H](C(N)=O)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325243828 1333852489 /nfs/dbraw/zinc/85/24/89/1333852489.db2.gz FNUITMFZUCNGGT-SECBINFHSA-N -1 1 329.194 2.241 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609311476 1351928561 /nfs/dbraw/zinc/92/85/61/1351928561.db2.gz VPWPMLRHFRKXTC-YGRLFVJLSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609311476 1351928564 /nfs/dbraw/zinc/92/85/64/1351928564.db2.gz VPWPMLRHFRKXTC-YGRLFVJLSA-N -1 1 343.366 2.292 20 0 EEADMM COc1ccccc1C(C)(C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001609363258 1351947381 /nfs/dbraw/zinc/94/73/81/1351947381.db2.gz VLFJZPVXNSMIKJ-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1ccccc1C(C)(C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001609363258 1351947382 /nfs/dbraw/zinc/94/73/82/1351947382.db2.gz VLFJZPVXNSMIKJ-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(C)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC001609425160 1351971514 /nfs/dbraw/zinc/97/15/14/1351971514.db2.gz BXTFTHWFWOKTLM-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(N2CCN(c3ccc(C)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC001609425160 1351971515 /nfs/dbraw/zinc/97/15/15/1351971515.db2.gz BXTFTHWFWOKTLM-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(NC[C@@H](O)c2ccccc2Cl)nc1-c1nnn[n-]1 ZINC001609426294 1351971867 /nfs/dbraw/zinc/97/18/67/1351971867.db2.gz MJCAQTDRUJUMQK-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccc(NC[C@@H](O)c2ccccc2Cl)nc1-c1nn[n-]n1 ZINC001609426294 1351971871 /nfs/dbraw/zinc/97/18/71/1351971871.db2.gz MJCAQTDRUJUMQK-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1nn(C(C)(C)C)c(C)c1CNc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001609458112 1351985799 /nfs/dbraw/zinc/98/57/99/1351985799.db2.gz UDMPUOMJCSRBRK-UHFFFAOYSA-N -1 1 329.412 2.079 20 0 EEADMM Cc1nn(C(C)(C)C)c(C)c1CNc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609458112 1351985802 /nfs/dbraw/zinc/98/58/02/1351985802.db2.gz UDMPUOMJCSRBRK-UHFFFAOYSA-N -1 1 329.412 2.079 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC001609468421 1351989305 /nfs/dbraw/zinc/98/93/05/1351989305.db2.gz UAVCKDCQCHGUST-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC001609468421 1351989308 /nfs/dbraw/zinc/98/93/08/1351989308.db2.gz UAVCKDCQCHGUST-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Fc1ccc(CNc2ncncc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609490620 1351997098 /nfs/dbraw/zinc/99/70/98/1351997098.db2.gz JFQNDLBSYOHXNR-UHFFFAOYSA-N -1 1 339.256 2.427 20 0 EEADMM NC(=O)c1cccc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001609505047 1352000630 /nfs/dbraw/zinc/00/06/30/1352000630.db2.gz FAGNMUPTRUCJHP-UHFFFAOYSA-N -1 1 338.805 2.227 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc2c(cccc2Cl)s1 ZINC001609510347 1352001859 /nfs/dbraw/zinc/00/18/59/1352001859.db2.gz DHUSRJOKCJPYAG-UHFFFAOYSA-N -1 1 345.775 2.202 20 0 EEADMM O=C(N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1c([O-])cccc1F ZINC001609542734 1352010518 /nfs/dbraw/zinc/01/05/18/1352010518.db2.gz FFEINIKONAYMBC-ZDUSSCGKSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC(F)(F)F)c1ccccc1 ZINC001609583055 1352026146 /nfs/dbraw/zinc/02/61/46/1352026146.db2.gz OPPQSKYZETZWTG-UHFFFAOYSA-N -1 1 348.288 2.471 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC(F)(F)F)c1ccccc1 ZINC001609583055 1352026150 /nfs/dbraw/zinc/02/61/50/1352026150.db2.gz OPPQSKYZETZWTG-UHFFFAOYSA-N -1 1 348.288 2.471 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](c2ccncc2)C1 ZINC001609584837 1352027134 /nfs/dbraw/zinc/02/71/34/1352027134.db2.gz KLBJUGUKZWUADO-GFCCVEGCSA-N -1 1 340.412 2.343 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(Cl)s1)CCC2 ZINC001609604186 1352032449 /nfs/dbraw/zinc/03/24/49/1352032449.db2.gz XXUKXCLKDCAFRB-UHFFFAOYSA-N -1 1 333.804 2.280 20 0 EEADMM C[C@H]1Cc2cc([N-]S(=O)(=O)c3cnc4c(cnn4C)c3)ccc2O1 ZINC001334707566 1336287044 /nfs/dbraw/zinc/28/70/44/1336287044.db2.gz LJWXVUANAOEDHH-JTQLQIEISA-N -1 1 344.396 2.093 20 0 EEADMM O=C(c1c[n-]c2ccccc2c1=O)n1ccc(=NCC(F)(F)F)cc1 ZINC001337494724 1336708415 /nfs/dbraw/zinc/70/84/15/1336708415.db2.gz WNVVLFAWQKWNJX-UHFFFAOYSA-N -1 1 347.296 2.481 20 0 EEADMM C[C@@H](N[C@@H](C)c1cccc(O)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001609785732 1352084835 /nfs/dbraw/zinc/08/48/35/1352084835.db2.gz IQROGUSGUYVGNS-QWHCGFSZSA-N -1 1 342.395 2.446 20 0 EEADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001609836959 1352097869 /nfs/dbraw/zinc/09/78/69/1352097869.db2.gz OPDSEOLJOMWFBL-KXNHARMFSA-N -1 1 348.390 2.282 20 0 EEADMM CC[C@@H]1CN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C[C@H](CC)O1 ZINC001609945223 1352126657 /nfs/dbraw/zinc/12/66/57/1352126657.db2.gz CCLXPZFEKGNVTO-HRCADAONSA-N -1 1 337.416 2.014 20 0 EEADMM CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc([O-])cc1F ZINC001348160414 1337539067 /nfs/dbraw/zinc/53/90/67/1337539067.db2.gz HTHKFTBJJFUWTG-UHFFFAOYSA-N -1 1 328.340 2.060 20 0 EEADMM Cc1cc(OCCCC(=O)N2CC[C@H](c3nn[n-]n3)C2)ccc1Cl ZINC001350234521 1337685483 /nfs/dbraw/zinc/68/54/83/1337685483.db2.gz NRKKHHHXQJDQHJ-LBPRGKRZSA-N -1 1 349.822 2.337 20 0 EEADMM CCc1ccccc1NC(=O)CN[C@H](C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001610069910 1352154819 /nfs/dbraw/zinc/15/48/19/1352154819.db2.gz GVDOMDIYJNGSKM-VKJFTORMSA-N -1 1 348.443 2.436 20 0 EEADMM Cc1cccc(NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)n1 ZINC000847163894 1337885702 /nfs/dbraw/zinc/88/57/02/1337885702.db2.gz BWUVQVZSLVIEQY-GHMZBOCLSA-N -1 1 344.337 2.453 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC001610097272 1352161048 /nfs/dbraw/zinc/16/10/48/1352161048.db2.gz GFJCQPBLOQOJNA-BLLLJJGKSA-N -1 1 339.461 2.247 20 0 EEADMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)Cc1cn(C)nn1 ZINC001352439767 1337947444 /nfs/dbraw/zinc/94/74/44/1337947444.db2.gz KCTXURBICUKOMH-UHFFFAOYSA-N -1 1 347.810 2.089 20 0 EEADMM CN1CCN(CCCSc2nc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001610135820 1352170630 /nfs/dbraw/zinc/17/06/30/1352170630.db2.gz VQLRAJLCNQDWFY-UHFFFAOYSA-N -1 1 335.429 2.256 20 0 EEADMM COc1cc(OC)c(OC)cc1CN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001610305416 1352202854 /nfs/dbraw/zinc/20/28/54/1352202854.db2.gz RODJTAQRWNGIJY-KRWDZBQOSA-N -1 1 347.367 2.334 20 0 EEADMM CCO/C=C\[C@@](O)(CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000848177646 1338554462 /nfs/dbraw/zinc/55/44/62/1338554462.db2.gz JHFMQLVWXJGIMZ-FMFIFOJESA-N -1 1 337.269 2.105 20 0 EEADMM Cn1[n-]c(COC(=O)CCc2c(Cl)cccc2Cl)nc1=O ZINC000848812665 1338772843 /nfs/dbraw/zinc/77/28/43/1338772843.db2.gz CUFUROWTNZIKGN-UHFFFAOYSA-N -1 1 330.171 2.091 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC001610442232 1352222976 /nfs/dbraw/zinc/22/29/76/1352222976.db2.gz QOBZRRIXVVRALD-NSHDSACASA-N -1 1 346.305 2.335 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)CSCC(F)(F)F)[nH]c21 ZINC001610672321 1352259192 /nfs/dbraw/zinc/25/91/92/1352259192.db2.gz ZVDZZEHTLSHQFG-UHFFFAOYSA-N -1 1 333.291 2.495 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cn4ccnc4s3)[nH]c21 ZINC001610712734 1352263588 /nfs/dbraw/zinc/26/35/88/1352263588.db2.gz NAWBHJDFYSKDDT-UHFFFAOYSA-N -1 1 327.325 2.223 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC001610726320 1352265382 /nfs/dbraw/zinc/26/53/82/1352265382.db2.gz SPTVJFCNQAXLDU-QGZVFWFLSA-N -1 1 345.443 2.472 20 0 EEADMM O=C([O-])C[C@H]1COCCN1CCC(=O)Nc1cccc2ccccc21 ZINC001610764827 1352270952 /nfs/dbraw/zinc/27/09/52/1352270952.db2.gz KDYCTKIXUIEUKU-HNNXBMFYSA-N -1 1 342.395 2.344 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(C/C=C\c3ccc(F)cc3F)C2)nn1 ZINC001610859902 1352286491 /nfs/dbraw/zinc/28/64/91/1352286491.db2.gz YDHUXADHWNMITO-UIIMQBOASA-N -1 1 334.326 2.215 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)cc(F)c1 ZINC001429013312 1339766631 /nfs/dbraw/zinc/76/66/31/1339766631.db2.gz NGPUEKTXMCATPL-SNVBAGLBSA-N -1 1 349.337 2.004 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN(Cc2ccccn2)C2CC2)cc1 ZINC001610836764 1352282973 /nfs/dbraw/zinc/28/29/73/1352282973.db2.gz KTJNYHPEPNBOOD-KRWDZBQOSA-N -1 1 342.395 2.184 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001429086859 1339791751 /nfs/dbraw/zinc/79/17/51/1339791751.db2.gz SGPWTFYQCKPPFD-NFAWXSAZSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cccc([C@@H](C)C(=O)NCCN(C)C(=O)c2ncccc2[O-])c1 ZINC001429270693 1339857788 /nfs/dbraw/zinc/85/77/88/1339857788.db2.gz PHOOVAATXMUAPV-CQSZACIVSA-N -1 1 341.411 2.088 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001429894924 1340049744 /nfs/dbraw/zinc/04/97/44/1340049744.db2.gz ONESQKVRBSOVGX-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](CNC(=O)c1sc(C)cc1C)NC(=O)c1ncccc1[O-] ZINC001430597813 1340265328 /nfs/dbraw/zinc/26/53/28/1340265328.db2.gz JMUXBSOKGJJQFH-GFCCVEGCSA-N -1 1 347.440 2.404 20 0 EEADMM C[C@H](CNC(=O)C[C@@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001431626992 1340656099 /nfs/dbraw/zinc/65/60/99/1340656099.db2.gz JUFHXCCEEAGPKS-ZIAGYGMSSA-N -1 1 341.411 2.216 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001433089082 1341495101 /nfs/dbraw/zinc/49/51/01/1341495101.db2.gz KFAKBQRISIHPMJ-LLVKDONJSA-N -1 1 333.413 2.033 20 0 EEADMM CCc1cnc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)o1 ZINC001558605430 1342484331 /nfs/dbraw/zinc/48/43/31/1342484331.db2.gz QRMIAVISPOIJES-UHFFFAOYSA-N -1 1 339.355 2.284 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576098471 1343965792 /nfs/dbraw/zinc/96/57/92/1343965792.db2.gz UXUIJJSWIFWOQQ-SNXWAXQRSA-N -1 1 333.342 2.167 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576098471 1343965795 /nfs/dbraw/zinc/96/57/95/1343965795.db2.gz UXUIJJSWIFWOQQ-SNXWAXQRSA-N -1 1 333.342 2.167 20 0 EEADMM CC1CCC(OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001576143515 1343970436 /nfs/dbraw/zinc/97/04/36/1343970436.db2.gz UNDAMEWTOWOHQF-UHFFFAOYSA-N -1 1 335.433 2.140 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576398981 1344009339 /nfs/dbraw/zinc/00/93/39/1344009339.db2.gz SIGSUUJLAPWLRU-AMIZOPFISA-N -1 1 327.369 2.180 20 0 EEADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001576926998 1344076161 /nfs/dbraw/zinc/07/61/61/1344076161.db2.gz UULGONMVSRHVEI-ZDUSSCGKSA-N -1 1 340.362 2.152 20 0 EEADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001576926998 1344076162 /nfs/dbraw/zinc/07/61/62/1344076162.db2.gz UULGONMVSRHVEI-ZDUSSCGKSA-N -1 1 340.362 2.152 20 0 EEADMM CC[C@H](CSC)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576927720 1344076484 /nfs/dbraw/zinc/07/64/84/1344076484.db2.gz YYVNVSXXWAUOTE-SECBINFHSA-N -1 1 340.478 2.211 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1noc(C)n1 ZINC001577000006 1344081857 /nfs/dbraw/zinc/08/18/57/1344081857.db2.gz ZHDYWNCKINHWAS-RXMQYKEDSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1noc(C)n1 ZINC001577000006 1344081861 /nfs/dbraw/zinc/08/18/61/1344081861.db2.gz ZHDYWNCKINHWAS-RXMQYKEDSA-N -1 1 326.773 2.231 20 0 EEADMM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578854264 1344309117 /nfs/dbraw/zinc/30/91/17/1344309117.db2.gz LLLOKYJKEIDAGM-ZIAGYGMSSA-N -1 1 338.346 2.167 20 0 EEADMM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578854264 1344309122 /nfs/dbraw/zinc/30/91/22/1344309122.db2.gz LLLOKYJKEIDAGM-ZIAGYGMSSA-N -1 1 338.346 2.167 20 0 EEADMM COC(=O)c1ccc(C)c(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001579481124 1344388304 /nfs/dbraw/zinc/38/83/04/1344388304.db2.gz NFSFJYFEZIPGAM-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccsc2C)cc1-c1nn[n-]n1 ZINC001580230012 1344495134 /nfs/dbraw/zinc/49/51/34/1344495134.db2.gz KXQLDRIPAOPZTC-UHFFFAOYSA-N -1 1 348.413 2.311 20 0 EEADMM CSc1cccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001580234514 1344495617 /nfs/dbraw/zinc/49/56/17/1344495617.db2.gz BRGQDZYLWNKMLK-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM CSc1cccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001580234514 1344495620 /nfs/dbraw/zinc/49/56/20/1344495620.db2.gz BRGQDZYLWNKMLK-UHFFFAOYSA-N -1 1 347.429 2.367 20 0 EEADMM Cc1cc([C@H]2CCCCN2Cc2nc(-c3nn[nH]n3)cs2)n[nH]1 ZINC001580916054 1344571716 /nfs/dbraw/zinc/57/17/16/1344571716.db2.gz XAZKWXRQTFQZLO-GFCCVEGCSA-N -1 1 330.421 2.082 20 0 EEADMM Cc1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001581196518 1344596191 /nfs/dbraw/zinc/59/61/91/1344596191.db2.gz AFXMYERMHIPINJ-UHFFFAOYSA-N -1 1 328.401 2.236 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001581214287 1344599359 /nfs/dbraw/zinc/59/93/59/1344599359.db2.gz CRJUMCVKHVUGOY-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001581214287 1344599362 /nfs/dbraw/zinc/59/93/62/1344599362.db2.gz CRJUMCVKHVUGOY-UHFFFAOYSA-N -1 1 335.371 2.160 20 0 EEADMM Cc1nnc(N(C)C2CCCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001581611106 1344644043 /nfs/dbraw/zinc/64/40/43/1344644043.db2.gz FAKUCMRXXZMVEK-UHFFFAOYSA-N -1 1 342.407 2.177 20 0 EEADMM Cc1nnc(N(C)C2CCCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001581611106 1344644047 /nfs/dbraw/zinc/64/40/47/1344644047.db2.gz FAKUCMRXXZMVEK-UHFFFAOYSA-N -1 1 342.407 2.177 20 0 EEADMM Cc1nsc(N[C@H](C)[C@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581686944 1344654268 /nfs/dbraw/zinc/65/42/68/1344654268.db2.gz WMOVZRRDXVCLLV-DTWKUNHWSA-N -1 1 349.464 2.127 20 0 EEADMM Cc1nsc(NC[C@H](C)N(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001581707651 1344656270 /nfs/dbraw/zinc/65/62/70/1344656270.db2.gz NQTCFDOZGNXZMP-VIFPVBQESA-N -1 1 347.448 2.001 20 0 EEADMM O=C(N[C@H]1CCc2ccc(O)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001582327703 1344732446 /nfs/dbraw/zinc/73/24/46/1344732446.db2.gz IABXTUWNCOWKMW-LBPRGKRZSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NCc1ccc(O)c(Cl)c1)c1ccsc1-c1nnn[n-]1 ZINC001582552226 1344761942 /nfs/dbraw/zinc/76/19/42/1344761942.db2.gz NZYUFPQAPCVTFX-UHFFFAOYSA-N -1 1 335.776 2.217 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccnc2ccccc21 ZINC001586100123 1348840338 /nfs/dbraw/zinc/84/03/38/1348840338.db2.gz LWXBFBXVLOYCEI-INIZCTEOSA-N -1 1 330.351 2.267 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001588770861 1348932835 /nfs/dbraw/zinc/93/28/35/1348932835.db2.gz QCSFFXXWZSBWIO-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001588770861 1348932836 /nfs/dbraw/zinc/93/28/36/1348932836.db2.gz QCSFFXXWZSBWIO-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM CC(C)(C)C[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589119512 1348962347 /nfs/dbraw/zinc/96/23/47/1348962347.db2.gz WYVHJQGJPVJWFR-SECBINFHSA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)C[C@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589119512 1348962348 /nfs/dbraw/zinc/96/23/48/1348962348.db2.gz WYVHJQGJPVJWFR-SECBINFHSA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589500287 1348997625 /nfs/dbraw/zinc/99/76/25/1348997625.db2.gz YYQYVFLDIILKSJ-WCQYABFASA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589500287 1348997628 /nfs/dbraw/zinc/99/76/28/1348997628.db2.gz YYQYVFLDIILKSJ-WCQYABFASA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@H]1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCO1 ZINC001589517653 1348999252 /nfs/dbraw/zinc/99/92/52/1348999252.db2.gz MXARTCVVOWHBPU-LLVKDONJSA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)[C@H]1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCO1 ZINC001589517653 1348999254 /nfs/dbraw/zinc/99/92/54/1348999254.db2.gz MXARTCVVOWHBPU-LLVKDONJSA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001589549890 1349002917 /nfs/dbraw/zinc/00/29/17/1349002917.db2.gz KRXCMPLOWJMVEV-LLVKDONJSA-N -1 1 344.419 2.345 20 0 EEADMM CC(C)Cn1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C(C)C ZINC001589670880 1349017659 /nfs/dbraw/zinc/01/76/59/1349017659.db2.gz LJZGSTZXBTYOJD-UHFFFAOYSA-N -1 1 327.396 2.376 20 0 EEADMM CC(C)Cn1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C(C)C ZINC001589670880 1349017664 /nfs/dbraw/zinc/01/76/64/1349017664.db2.gz LJZGSTZXBTYOJD-UHFFFAOYSA-N -1 1 327.396 2.376 20 0 EEADMM CC(C)c1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)on1 ZINC001589766882 1349033951 /nfs/dbraw/zinc/03/39/51/1349033951.db2.gz GMHSAAOAQUKHMG-UHFFFAOYSA-N -1 1 326.364 2.258 20 0 EEADMM CC(C)c1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)on1 ZINC001589766882 1349033955 /nfs/dbraw/zinc/03/39/55/1349033955.db2.gz GMHSAAOAQUKHMG-UHFFFAOYSA-N -1 1 326.364 2.258 20 0 EEADMM C[C@H](CC(N)=O)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001589804441 1349048676 /nfs/dbraw/zinc/04/86/76/1349048676.db2.gz WQINJMKQHWTYQA-SNVBAGLBSA-N -1 1 326.360 2.051 20 0 EEADMM C[C@H](CC(N)=O)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589804441 1349048677 /nfs/dbraw/zinc/04/86/77/1349048677.db2.gz WQINJMKQHWTYQA-SNVBAGLBSA-N -1 1 326.360 2.051 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589819958 1349050589 /nfs/dbraw/zinc/05/05/89/1349050589.db2.gz CQTLBKUNERSNNJ-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589819958 1349050593 /nfs/dbraw/zinc/05/05/93/1349050593.db2.gz CQTLBKUNERSNNJ-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589905590 1349059940 /nfs/dbraw/zinc/05/99/40/1349059940.db2.gz XZZXRRANHIEZQB-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM C[C@H](Cc1nc2ccccc2s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589905590 1349059944 /nfs/dbraw/zinc/05/99/44/1349059944.db2.gz XZZXRRANHIEZQB-SECBINFHSA-N -1 1 338.400 2.310 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1N(C)C ZINC001589972800 1349087796 /nfs/dbraw/zinc/08/77/96/1349087796.db2.gz RWHXZRXJAPZWSP-VIFPVBQESA-N -1 1 347.423 2.379 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1N(C)C ZINC001589972800 1349087803 /nfs/dbraw/zinc/08/78/03/1349087803.db2.gz RWHXZRXJAPZWSP-VIFPVBQESA-N -1 1 347.423 2.379 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1nc(C(F)(F)F)cs1 ZINC001589987162 1349094894 /nfs/dbraw/zinc/09/48/94/1349094894.db2.gz HBYHMFOCLXFMOT-RXMQYKEDSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1nc(C(F)(F)F)cs1 ZINC001589987162 1349094898 /nfs/dbraw/zinc/09/48/98/1349094898.db2.gz HBYHMFOCLXFMOT-RXMQYKEDSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)Nc1ccccc1 ZINC001589989859 1349095578 /nfs/dbraw/zinc/09/55/78/1349095578.db2.gz FUCQOFSTOXTAHH-ZETCQYMHSA-N -1 1 349.807 2.416 20 0 EEADMM CC1(C)C[C@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590078642 1349141530 /nfs/dbraw/zinc/14/15/30/1349141530.db2.gz RMALURHPITYUKT-ZCFIWIBFSA-N -1 1 342.812 2.120 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001590083253 1349143581 /nfs/dbraw/zinc/14/35/81/1349143581.db2.gz SOFAEDHONFKKSX-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001590083253 1349143587 /nfs/dbraw/zinc/14/35/87/1349143587.db2.gz SOFAEDHONFKKSX-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)CN(c2cccc(-c3nnn[n-]3)n2)C[C@@](C)(C(F)(F)F)O1 ZINC001590108203 1349158221 /nfs/dbraw/zinc/15/82/21/1349158221.db2.gz SFPVVCDINNKLHM-ZDUSSCGKSA-N -1 1 342.325 2.198 20 0 EEADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)C[C@@](C)(C(F)(F)F)O1 ZINC001590108203 1349158229 /nfs/dbraw/zinc/15/82/29/1349158229.db2.gz SFPVVCDINNKLHM-ZDUSSCGKSA-N -1 1 342.325 2.198 20 0 EEADMM CC1=Nc2ccccc2C12CCN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001590161607 1349180775 /nfs/dbraw/zinc/18/07/75/1349180775.db2.gz HJVVUPYPZBXMTF-UHFFFAOYSA-N -1 1 346.398 2.301 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590189432 1349191820 /nfs/dbraw/zinc/19/18/20/1349191820.db2.gz CHWOXFUURYFIRC-VXNVDRBHSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590189432 1349191824 /nfs/dbraw/zinc/19/18/24/1349191824.db2.gz CHWOXFUURYFIRC-VXNVDRBHSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590219620 1349208222 /nfs/dbraw/zinc/20/82/22/1349208222.db2.gz OGEWOLDZQMSMCP-LSKIRQOJSA-N -1 1 332.433 2.020 20 0 EEADMM C[C@H]1CC[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)O1 ZINC001590232994 1349215543 /nfs/dbraw/zinc/21/55/43/1349215543.db2.gz XWYWQYVANRHWOG-ONGXEEELSA-N -1 1 345.790 2.403 20 0 EEADMM C[C@H]1CCC[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590239778 1349219793 /nfs/dbraw/zinc/21/97/93/1349219793.db2.gz BNTPMELKFPCSAF-WDEREUQCSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCC[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590239778 1349219802 /nfs/dbraw/zinc/21/98/02/1349219802.db2.gz BNTPMELKFPCSAF-WDEREUQCSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590269785 1349241400 /nfs/dbraw/zinc/24/14/00/1349241400.db2.gz UKACQZNCFUUFRB-NSHDSACASA-N -1 1 338.371 2.335 20 0 EEADMM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590269785 1349241403 /nfs/dbraw/zinc/24/14/03/1349241403.db2.gz UKACQZNCFUUFRB-NSHDSACASA-N -1 1 338.371 2.335 20 0 EEADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590304865 1349253263 /nfs/dbraw/zinc/25/32/63/1349253263.db2.gz WBFQHNYSFRJHGM-LLVKDONJSA-N -1 1 338.371 2.192 20 0 EEADMM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590304865 1349253266 /nfs/dbraw/zinc/25/32/66/1349253266.db2.gz WBFQHNYSFRJHGM-LLVKDONJSA-N -1 1 338.371 2.192 20 0 EEADMM C[C@@H]1CSCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001590325277 1349265735 /nfs/dbraw/zinc/26/57/35/1349265735.db2.gz BUHBRABOJPLTSQ-QMMMGPOBSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@@H]1CSCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001590325277 1349265740 /nfs/dbraw/zinc/26/57/40/1349265740.db2.gz BUHBRABOJPLTSQ-QMMMGPOBSA-N -1 1 344.366 2.470 20 0 EEADMM C[C@H]1Cc2cc(CNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)ccc2O1 ZINC001590330184 1349267625 /nfs/dbraw/zinc/26/76/25/1349267625.db2.gz VDBFSOIFQVHBCG-JTQLQIEISA-N -1 1 349.398 2.470 20 0 EEADMM C[C@H]1Cc2cc(CNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)ccc2O1 ZINC001590330184 1349267631 /nfs/dbraw/zinc/26/76/31/1349267631.db2.gz VDBFSOIFQVHBCG-JTQLQIEISA-N -1 1 349.398 2.470 20 0 EEADMM CC/C(C)=C/C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590385698 1349297665 /nfs/dbraw/zinc/29/76/65/1349297665.db2.gz SADFDYCSMCRRAB-TTZKWOQHSA-N -1 1 349.464 2.247 20 0 EEADMM CC[C@H](C)Oc1cc(NCc2nc(-c3nnn[n-]3)cs2)nc(C)n1 ZINC001590415673 1349314128 /nfs/dbraw/zinc/31/41/28/1349314128.db2.gz BERKLUJDXPYDNR-QMMMGPOBSA-N -1 1 346.420 2.211 20 0 EEADMM CC[C@H](C)Oc1cc(NCc2nc(-c3nn[n-]n3)cs2)nc(C)n1 ZINC001590415673 1349314134 /nfs/dbraw/zinc/31/41/34/1349314134.db2.gz BERKLUJDXPYDNR-QMMMGPOBSA-N -1 1 346.420 2.211 20 0 EEADMM CC[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC001590421993 1349317132 /nfs/dbraw/zinc/31/71/32/1349317132.db2.gz LXQUPVQMGSDKDD-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590421993 1349317140 /nfs/dbraw/zinc/31/71/40/1349317140.db2.gz LXQUPVQMGSDKDD-SNVBAGLBSA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC001590477213 1349349143 /nfs/dbraw/zinc/34/91/43/1349349143.db2.gz QAIXUCOJVJDRTC-YPMHNXCESA-N -1 1 341.375 2.022 20 0 EEADMM CC[C@@H](OC)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001590478437 1349349681 /nfs/dbraw/zinc/34/96/81/1349349681.db2.gz UEPSOCXACDTECY-MRVPVSSYSA-N -1 1 345.281 2.129 20 0 EEADMM CCC[C@@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001590549502 1349367266 /nfs/dbraw/zinc/36/72/66/1349367266.db2.gz BFUFIEYUTYMODY-SNVBAGLBSA-N -1 1 347.419 2.496 20 0 EEADMM CCc1nn(CCSC(C)(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929784 1349415953 /nfs/dbraw/zinc/41/59/53/1349415953.db2.gz VDYVOGDHMODIGU-UHFFFAOYSA-N -1 1 336.465 2.080 20 0 EEADMM CCn1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C(C)C)n1 ZINC001590951441 1349421054 /nfs/dbraw/zinc/42/10/54/1349421054.db2.gz CMXHLEOSCDVACE-UHFFFAOYSA-N -1 1 341.375 2.164 20 0 EEADMM CCn1c2ccccc2nc1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590955389 1349423035 /nfs/dbraw/zinc/42/30/35/1349423035.db2.gz SQXVQAXWIRIPPS-SNVBAGLBSA-N -1 1 335.375 2.199 20 0 EEADMM CCn1c2ccccc2nc1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590955389 1349423047 /nfs/dbraw/zinc/42/30/47/1349423047.db2.gz SQXVQAXWIRIPPS-SNVBAGLBSA-N -1 1 335.375 2.199 20 0 EEADMM COC(=O)C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001591263657 1349455153 /nfs/dbraw/zinc/45/51/53/1349455153.db2.gz CNWDVWBQWYWGLT-LLVKDONJSA-N -1 1 339.355 2.127 20 0 EEADMM COC(=O)C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001591263657 1349455156 /nfs/dbraw/zinc/45/51/56/1349455156.db2.gz CNWDVWBQWYWGLT-LLVKDONJSA-N -1 1 339.355 2.127 20 0 EEADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001591354852 1349470145 /nfs/dbraw/zinc/47/01/45/1349470145.db2.gz LGIKGSLNDOEXOP-CMPLNLGQSA-N -1 1 331.376 2.106 20 0 EEADMM COCCOc1ccccc1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001591446323 1349484382 /nfs/dbraw/zinc/48/43/82/1349484382.db2.gz QMYZLQKNZURONJ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1ccccc1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001591446323 1349484387 /nfs/dbraw/zinc/48/43/87/1349484387.db2.gz QMYZLQKNZURONJ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCc1ccccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591447952 1349486132 /nfs/dbraw/zinc/48/61/32/1349486132.db2.gz PCHFGYZUFKNTJG-UHFFFAOYSA-N -1 1 329.385 2.369 20 0 EEADMM CSc1nc2ncnc(Oc3cccnc3-c3nnn[n-]3)c2s1 ZINC001591719096 1349534678 /nfs/dbraw/zinc/53/46/78/1349534678.db2.gz WQCGYDVQWMQOND-UHFFFAOYSA-N -1 1 344.385 2.176 20 0 EEADMM CSc1nc2ncnc(Oc3cccnc3-c3nn[n-]n3)c2s1 ZINC001591719096 1349534688 /nfs/dbraw/zinc/53/46/88/1349534688.db2.gz WQCGYDVQWMQOND-UHFFFAOYSA-N -1 1 344.385 2.176 20 0 EEADMM Cc1cc2c(CCNc3ncncc3-c3nn[n-]n3)c[nH]c2cc1F ZINC001592070920 1349589456 /nfs/dbraw/zinc/58/94/56/1349589456.db2.gz WPCPAWPBEGAUNI-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM Cc1ccc(F)c(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001592173947 1349601301 /nfs/dbraw/zinc/60/13/01/1349601301.db2.gz XSBIWXVOZRZRDR-UHFFFAOYSA-N -1 1 341.350 2.096 20 0 EEADMM Cc1cccnc1CCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592263267 1349613844 /nfs/dbraw/zinc/61/38/44/1349613844.db2.gz YYUSUBYXFGUHBI-UHFFFAOYSA-N -1 1 336.403 2.282 20 0 EEADMM Cc1cccnc1CCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592263267 1349613849 /nfs/dbraw/zinc/61/38/49/1349613849.db2.gz YYUSUBYXFGUHBI-UHFFFAOYSA-N -1 1 336.403 2.282 20 0 EEADMM Cc1nc(N[C@@H]2c3ccccc3CC[C@@H]2F)cc(-c2nnn[n-]2)n1 ZINC001592383734 1349625624 /nfs/dbraw/zinc/62/56/24/1349625624.db2.gz IEVRWYHKSARSEO-SWLSCSKDSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nc(N[C@@H]2c3ccccc3CC[C@@H]2F)cc(-c2nn[n-]n2)n1 ZINC001592383734 1349625626 /nfs/dbraw/zinc/62/56/26/1349625626.db2.gz IEVRWYHKSARSEO-SWLSCSKDSA-N -1 1 325.351 2.403 20 0 EEADMM Cc1nc(N[C@@H]2CCCOc3cc(F)ccc32)cc(-c2nnn[n-]2)n1 ZINC001592383669 1349625945 /nfs/dbraw/zinc/62/59/45/1349625945.db2.gz FPHIOMKGNOOJPZ-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nc(N[C@@H]2CCCOc3cc(F)ccc32)cc(-c2nn[n-]n2)n1 ZINC001592383669 1349625949 /nfs/dbraw/zinc/62/59/49/1349625949.db2.gz FPHIOMKGNOOJPZ-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nn(C)c2ncc(NCc3csc(-c4nn[n-]n4)c3)cc12 ZINC001592431766 1349630728 /nfs/dbraw/zinc/63/07/28/1349630728.db2.gz HHUIVCMLPRTLGC-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC001592502476 1349637977 /nfs/dbraw/zinc/63/79/77/1349637977.db2.gz SVMLWRDCWARULY-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(CC(C)C)c1C ZINC001592503165 1349640489 /nfs/dbraw/zinc/64/04/89/1349640489.db2.gz MHAMTJKNYNPIDA-UHFFFAOYSA-N -1 1 329.364 2.181 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(CC(C)C)c1C ZINC001592503165 1349640492 /nfs/dbraw/zinc/64/04/92/1349640492.db2.gz MHAMTJKNYNPIDA-UHFFFAOYSA-N -1 1 329.364 2.181 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Oc1ccc2c(c1)OCCCO2 ZINC001592504481 1349642666 /nfs/dbraw/zinc/64/26/66/1349642666.db2.gz BAKPXMNGOBGNJM-UHFFFAOYSA-N -1 1 342.311 2.149 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Oc1ccc2c(c1)OCCCO2 ZINC001592504481 1349642668 /nfs/dbraw/zinc/64/26/68/1349642668.db2.gz BAKPXMNGOBGNJM-UHFFFAOYSA-N -1 1 342.311 2.149 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC001592504699 1349642867 /nfs/dbraw/zinc/64/28/67/1349642867.db2.gz HHMQWIPYLRTUCJ-NEPJUHHUSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H]2C[C@@H]21 ZINC001592504699 1349642869 /nfs/dbraw/zinc/64/28/69/1349642869.db2.gz HHMQWIPYLRTUCJ-NEPJUHHUSA-N -1 1 338.371 2.183 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)sc1-c1nnn[n-]1 ZINC001592540589 1349652863 /nfs/dbraw/zinc/65/28/63/1349652863.db2.gz NHQYYJQSBYPGBP-XLPZGREQSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@H]3OCC[C@H]32)sc1-c1nn[n-]n1 ZINC001592540589 1349652873 /nfs/dbraw/zinc/65/28/73/1349652873.db2.gz NHQYYJQSBYPGBP-XLPZGREQSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1c(=O)ccc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc21 ZINC001592547193 1349654625 /nfs/dbraw/zinc/65/46/25/1349654625.db2.gz LKKRJUFATNFESC-UHFFFAOYSA-N -1 1 338.396 2.392 20 0 EEADMM FC(F)(F)c1cc(CNc2cc(-c3nnn[n-]3)ncn2)cs1 ZINC001592618447 1349674311 /nfs/dbraw/zinc/67/43/11/1349674311.db2.gz RGEIRGPBZVDUPB-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1cc(CNc2cc(-c3nn[n-]n3)ncn2)cs1 ZINC001592618447 1349674318 /nfs/dbraw/zinc/67/43/18/1349674318.db2.gz RGEIRGPBZVDUPB-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM Fc1cccc(F)c1C1(CNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001592656622 1349701871 /nfs/dbraw/zinc/70/18/71/1349701871.db2.gz GDGAQVZQDCAJPP-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM Fc1cccc(F)c1C1(CNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001592656622 1349701879 /nfs/dbraw/zinc/70/18/79/1349701879.db2.gz GDGAQVZQDCAJPP-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM Fc1ccccc1C1(F)CN(Cc2nc(-c3nnn[n-]3)cs2)C1 ZINC001592659069 1349702806 /nfs/dbraw/zinc/70/28/06/1349702806.db2.gz PCIUNXDKIHWMAC-UHFFFAOYSA-N -1 1 334.355 2.143 20 0 EEADMM Fc1ccccc1C1(F)CN(Cc2nc(-c3nn[n-]n3)cs2)C1 ZINC001592659069 1349702809 /nfs/dbraw/zinc/70/28/09/1349702809.db2.gz PCIUNXDKIHWMAC-UHFFFAOYSA-N -1 1 334.355 2.143 20 0 EEADMM O=C(CC1=CCCCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592810802 1349716171 /nfs/dbraw/zinc/71/61/71/1349716171.db2.gz UAOGLDOAXKYRBO-UHFFFAOYSA-N -1 1 340.387 2.163 20 0 EEADMM O=C(COc1cccnc1-c1nnn[n-]1)NCCCC1CCCCC1 ZINC001592898943 1349725765 /nfs/dbraw/zinc/72/57/65/1349725765.db2.gz HHAGEWKJJZLSQG-UHFFFAOYSA-N -1 1 344.419 2.117 20 0 EEADMM O=C(COc1cccnc1-c1nn[n-]n1)NCCCC1CCCCC1 ZINC001592898943 1349725770 /nfs/dbraw/zinc/72/57/70/1349725770.db2.gz HHAGEWKJJZLSQG-UHFFFAOYSA-N -1 1 344.419 2.117 20 0 EEADMM O=C(NC1CC1)c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592967414 1349730329 /nfs/dbraw/zinc/73/03/29/1349730329.db2.gz XIOBAVYUSJFGBW-UHFFFAOYSA-N -1 1 340.412 2.433 20 0 EEADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593017308 1349733507 /nfs/dbraw/zinc/73/35/07/1349733507.db2.gz UZQODOJKRXLVDK-OAHLLOKOSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593017308 1349733511 /nfs/dbraw/zinc/73/35/11/1349733511.db2.gz UZQODOJKRXLVDK-OAHLLOKOSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@H]1CCCC2(CC2)C1 ZINC001593137850 1349739365 /nfs/dbraw/zinc/73/93/65/1349739365.db2.gz XGGCNSHNLMRWHU-JTQLQIEISA-N -1 1 332.433 2.450 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593192490 1349745134 /nfs/dbraw/zinc/74/51/34/1349745134.db2.gz PZSOHIUYNAJMMM-HOMQSWHASA-N -1 1 327.319 2.275 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593192490 1349745138 /nfs/dbraw/zinc/74/51/38/1349745138.db2.gz PZSOHIUYNAJMMM-HOMQSWHASA-N -1 1 327.319 2.275 20 0 EEADMM O=C(OCC(F)(F)Br)c1ccc(-c2nnn[n-]2)s1 ZINC001593282833 1349760710 /nfs/dbraw/zinc/76/07/10/1349760710.db2.gz HBEOZRLTAUHXDH-UHFFFAOYSA-N -1 1 339.121 2.073 20 0 EEADMM O=C(OCC(F)(F)Br)c1ccc(-c2nn[n-]n2)s1 ZINC001593282833 1349760714 /nfs/dbraw/zinc/76/07/14/1349760714.db2.gz HBEOZRLTAUHXDH-UHFFFAOYSA-N -1 1 339.121 2.073 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC[C@@H](CF)C1 ZINC001593314907 1349778745 /nfs/dbraw/zinc/77/87/45/1349778745.db2.gz CGLNCCUACAJYDL-JTQLQIEISA-N -1 1 328.351 2.170 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCC(F)(F)CC1 ZINC001593329754 1349782390 /nfs/dbraw/zinc/78/23/90/1349782390.db2.gz WSXVMBUHQKUHAU-UHFFFAOYSA-N -1 1 343.284 2.406 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCC(F)(F)CC1 ZINC001593329754 1349782391 /nfs/dbraw/zinc/78/23/91/1349782391.db2.gz WSXVMBUHQKUHAU-UHFFFAOYSA-N -1 1 343.284 2.406 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001593339735 1349785209 /nfs/dbraw/zinc/78/52/09/1349785209.db2.gz UURQJMDKCKURAL-CYBMUJFWSA-N -1 1 341.346 2.446 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001593339735 1349785213 /nfs/dbraw/zinc/78/52/13/1349785213.db2.gz UURQJMDKCKURAL-CYBMUJFWSA-N -1 1 341.346 2.446 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1C/C(Cl)=C/Cl ZINC001593492970 1349818322 /nfs/dbraw/zinc/81/83/22/1349818322.db2.gz RWHRFSNPIQCLPD-HYXAFXHYSA-N -1 1 340.092 2.366 20 0 EEADMM [O-][n+]1ccccc1Oc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001593543627 1349839162 /nfs/dbraw/zinc/83/91/62/1349839162.db2.gz ASTHXPRXOXCAMO-UHFFFAOYSA-N -1 1 340.730 2.494 20 0 EEADMM c1cn2ncc(-c3nn[n-]n3)c2n1Cc1nc(-c2ccccc2)cs1 ZINC001593567178 1349853306 /nfs/dbraw/zinc/85/33/06/1349853306.db2.gz DZQCYNPASYOKPN-UHFFFAOYSA-N -1 1 348.395 2.488 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]3CCC[C@@H]23)cc1 ZINC001593572690 1349856981 /nfs/dbraw/zinc/85/69/81/1349856981.db2.gz DNYHQRNIWPWICA-SOUVJXGZSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]3CCC[C@@H]23)cc1 ZINC001593573346 1349857323 /nfs/dbraw/zinc/85/73/23/1349857323.db2.gz PIMPSKGEOULJNX-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]3CCC[C@@H]23)cc1 ZINC001593573346 1349857326 /nfs/dbraw/zinc/85/73/26/1349857326.db2.gz PIMPSKGEOULJNX-OFQRWUPVSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)[C@H]3CCC[C@@H]23)cc1 ZINC001593572688 1349857362 /nfs/dbraw/zinc/85/73/62/1349857362.db2.gz DNYHQRNIWPWICA-KKUMJFAQSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]3CCC[C@H]23)cc1 ZINC001593573345 1349857594 /nfs/dbraw/zinc/85/75/94/1349857594.db2.gz PIMPSKGEOULJNX-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]3CCC[C@H]23)cc1 ZINC001593573345 1349857598 /nfs/dbraw/zinc/85/75/98/1349857598.db2.gz PIMPSKGEOULJNX-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nnn[n-]4)nc(C4CC4)n3)[C@H]21 ZINC001593579894 1349860188 /nfs/dbraw/zinc/86/01/88/1349860188.db2.gz NZQXHCIXAUZJQX-APHBMKBZSA-N -1 1 331.383 2.284 20 0 EEADMM c1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nn[n-]n4)nc(C4CC4)n3)[C@H]21 ZINC001593579894 1349860194 /nfs/dbraw/zinc/86/01/94/1349860194.db2.gz NZQXHCIXAUZJQX-APHBMKBZSA-N -1 1 331.383 2.284 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2[nH]c(CO)nc2c1 ZINC001595436322 1349886630 /nfs/dbraw/zinc/88/66/30/1349886630.db2.gz VMOKCUBEWRBXQD-UHFFFAOYSA-N -1 1 349.350 2.403 20 0 EEADMM Cc1c2cccc(C)c2oc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001599982691 1349949102 /nfs/dbraw/zinc/94/91/02/1349949102.db2.gz QXRZRYBPWPACMR-CYBMUJFWSA-N -1 1 327.340 2.198 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1 ZINC001600110265 1349973095 /nfs/dbraw/zinc/97/30/95/1349973095.db2.gz QNILQTQMAYPACA-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1cc(C2OCCO2)c(C)cc1CN1CCOC[C@H]1CC(=O)[O-] ZINC001600183754 1349987662 /nfs/dbraw/zinc/98/76/62/1349987662.db2.gz DLDRGZYBQUMWPE-OAHLLOKOSA-N -1 1 335.400 2.024 20 0 EEADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cccnc2)cc(N2CCCC2)n1 ZINC001600203990 1349992413 /nfs/dbraw/zinc/99/24/13/1349992413.db2.gz AGENKKDPTOHHRB-QGZVFWFLSA-N -1 1 326.400 2.301 20 0 EEADMM Cc1cc([NH+]=C([O-])N(C)c2ccc(OCC(=O)[O-])cc2)c(C)cn1 ZINC001600260004 1350004650 /nfs/dbraw/zinc/00/46/50/1350004650.db2.gz AJNSWIQPRDBTGU-UHFFFAOYSA-N -1 1 329.356 2.252 20 0 EEADMM Cc1ccc(CN(C(=O)CN[C@@](C)(CCF)C(=O)[O-])C2CC2)cc1 ZINC001600410067 1350043428 /nfs/dbraw/zinc/04/34/28/1350043428.db2.gz LGGANALZQOTSCH-SFHVURJKSA-N -1 1 336.407 2.279 20 0 EEADMM Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1 ZINC001600447688 1350054035 /nfs/dbraw/zinc/05/40/35/1350054035.db2.gz SDZAXUITVIMOSY-XIRDDKMYSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600687937 1350116486 /nfs/dbraw/zinc/11/64/86/1350116486.db2.gz MHJDUQQUFGZCFK-CYBMUJFWSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1nc([C@H](C)NCc2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC001600792660 1350138411 /nfs/dbraw/zinc/13/84/11/1350138411.db2.gz QFWINQMSGYBQRV-ZETCQYMHSA-N -1 1 339.193 2.425 20 0 EEADMM Cn1c2ccccc2nc1[C@H](NC[C@@](C)(O)C(=O)[O-])c1ccccc1 ZINC001600908101 1350165401 /nfs/dbraw/zinc/16/54/01/1350165401.db2.gz LOGLTAXCBJVXFO-VQIMIIECSA-N -1 1 339.395 2.088 20 0 EEADMM Cn1cnc2cccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c21 ZINC001600992439 1350184860 /nfs/dbraw/zinc/18/48/60/1350184860.db2.gz PTZQTURQCXFYAM-UHFFFAOYSA-N -1 1 335.323 2.400 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cn3cc4ccccc4n3)[nH]c21 ZINC001601384794 1350271628 /nfs/dbraw/zinc/27/16/28/1350271628.db2.gz TXRRXDKTBXXOKX-UHFFFAOYSA-N -1 1 335.323 2.250 20 0 EEADMM O=C([O-])c1cc2cccnc2c(NC(=O)NCCN2CC=CCC2)c1 ZINC001601501904 1350297043 /nfs/dbraw/zinc/29/70/43/1350297043.db2.gz SZJQWCUQJWYCET-UHFFFAOYSA-N -1 1 340.383 2.316 20 0 EEADMM O=C([O-])[C@@H](c1cccnc1)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001601697299 1350341523 /nfs/dbraw/zinc/34/15/23/1350341523.db2.gz ARZXICXEFCEKAH-OAHLLOKOSA-N -1 1 348.790 2.194 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)Nc2scnc2C2CC2)CCCC1 ZINC001601717216 1350346850 /nfs/dbraw/zinc/34/68/50/1350346850.db2.gz LIYFUTOUCMPTMF-UHFFFAOYSA-N -1 1 330.431 2.407 20 0 EEADMM O=C([O-])[C@]1(N2CCN([C@H]3CCCc4ccc(F)cc43)CC2)CCOC1 ZINC001601718151 1350346856 /nfs/dbraw/zinc/34/68/56/1350346856.db2.gz CZTGLHSWHQPMAT-HKUYNNGSSA-N -1 1 348.418 2.064 20 0 EEADMM O=C([O-])[C@@H]1CC(=O)N(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC001601759655 1350358171 /nfs/dbraw/zinc/35/81/71/1350358171.db2.gz VSAFQWUJMVTAAB-WCXIOVBPSA-N -1 1 328.412 2.288 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cccc(COc2ccccc2)c1 ZINC001601772916 1350361548 /nfs/dbraw/zinc/36/15/48/1350361548.db2.gz NSUPOTUSHMIKRQ-WMZOPIPTSA-N -1 1 327.380 2.285 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@H]2C(=O)[O-] ZINC001601780071 1350363312 /nfs/dbraw/zinc/36/33/12/1350363312.db2.gz IYXKUAYVPSKOKB-CKGQUOQHSA-N -1 1 329.396 2.288 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCc1ccc(F)cc1F)C[C@@H]2C(=O)[O-] ZINC001601779867 1350363331 /nfs/dbraw/zinc/36/33/31/1350363331.db2.gz HIJIIFNKKWGQKM-OFKYTCTHSA-N -1 1 339.338 2.005 20 0 EEADMM O=C([O-])CCCc1nnc(NC(=O)c2nccc(Cl)c2F)s1 ZINC001602003474 1350415722 /nfs/dbraw/zinc/41/57/22/1350415722.db2.gz VVYODGJGPXGZFY-UHFFFAOYSA-N -1 1 344.755 2.385 20 0 EEADMM O=C([O-])c1c[nH]c(CN2CCOC3(CCOCC3)CC2)c1C1CC1 ZINC001602233148 1350471854 /nfs/dbraw/zinc/47/18/54/1350471854.db2.gz FVSQFSHTIXDGSN-UHFFFAOYSA-N -1 1 334.416 2.362 20 0 EEADMM O=C([O-])c1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc2[nH]ccc21 ZINC001602280679 1350484924 /nfs/dbraw/zinc/48/49/24/1350484924.db2.gz TXNHMWBGKKUZFC-PHIMTYICSA-N -1 1 328.372 2.224 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)[nH]1 ZINC001602336274 1350497296 /nfs/dbraw/zinc/49/72/96/1350497296.db2.gz QHRSDFVIJQGLRD-UHFFFAOYSA-N -1 1 341.411 2.241 20 0 EEADMM O=C([O-])c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1Br ZINC001602336725 1350497695 /nfs/dbraw/zinc/49/76/95/1350497695.db2.gz OBPXSNCBFZBLKR-OAHLLOKOSA-N -1 1 340.217 2.494 20 0 EEADMM O=C([O-])c1ccc(F)c(NC(=O)c2cc(Br)n[nH]2)c1 ZINC001602364736 1350504483 /nfs/dbraw/zinc/50/44/83/1350504483.db2.gz LLAKMEWBBHVOQG-UHFFFAOYSA-N -1 1 328.097 2.262 20 0 EEADMM O=C([O-])C12CCC(CC1)[N@H+]2[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001602629398 1350561474 /nfs/dbraw/zinc/56/14/74/1350561474.db2.gz JJKMJEORLODKLP-WUJZJPHMSA-N -1 1 328.412 2.259 20 0 EEADMM O=C([O-])C12CCC(CC1)N2[C@H]1CCCN(Cc2ccccc2)C1=O ZINC001602629398 1350561476 /nfs/dbraw/zinc/56/14/76/1350561476.db2.gz JJKMJEORLODKLP-WUJZJPHMSA-N -1 1 328.412 2.259 20 0 EEADMM O=Cc1ccc(-c2ccc(C(=O)NCCCCC(=O)[O-])c(O)c2)o1 ZINC001602666049 1350569263 /nfs/dbraw/zinc/56/92/63/1350569263.db2.gz XAYYJKIQUPLDDJ-UHFFFAOYSA-N -1 1 331.324 2.449 20 0 EEADMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1csc(-c2nn[n-]n2)c1 ZINC001603075103 1350633638 /nfs/dbraw/zinc/63/36/38/1350633638.db2.gz YZELYECWMHTIJY-LBPRGKRZSA-N -1 1 334.449 2.183 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001603104612 1350640916 /nfs/dbraw/zinc/64/09/16/1350640916.db2.gz PQCUAWFAVMYLLY-AOOOYVTPSA-N -1 1 333.367 2.082 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001603104612 1350640919 /nfs/dbraw/zinc/64/09/19/1350640919.db2.gz PQCUAWFAVMYLLY-AOOOYVTPSA-N -1 1 333.367 2.082 20 0 EEADMM CC(=O)c1cccc(NC(=O)CN[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC001603118286 1350644670 /nfs/dbraw/zinc/64/46/70/1350644670.db2.gz FEMUOUCZFZLBAN-KSMLVUNXSA-N -1 1 332.400 2.451 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccccc1O)c1ccccc1 ZINC001603191431 1350659691 /nfs/dbraw/zinc/65/96/91/1350659691.db2.gz RHAUERNRXHECSL-NHYWBVRUSA-N -1 1 335.381 2.133 20 0 EEADMM CC(C)(C)NC(=O)[C@H]1CCCN1CCOc1cccc(C(=O)[O-])c1 ZINC001603345483 1350692581 /nfs/dbraw/zinc/69/25/81/1350692581.db2.gz MSAQKCZUFBHGBR-OAHLLOKOSA-N -1 1 334.416 2.143 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603413627 1350702151 /nfs/dbraw/zinc/70/21/51/1350702151.db2.gz AZSJTQHIRULNDR-UHFFFAOYSA-N -1 1 348.370 2.285 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603413627 1350702157 /nfs/dbraw/zinc/70/21/57/1350702157.db2.gz AZSJTQHIRULNDR-UHFFFAOYSA-N -1 1 348.370 2.285 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001603579153 1350724168 /nfs/dbraw/zinc/72/41/68/1350724168.db2.gz QKJZHIDMCQRHSY-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001603579153 1350724169 /nfs/dbraw/zinc/72/41/69/1350724169.db2.gz QKJZHIDMCQRHSY-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM CC1(C)CC[C@@H](CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)OC1 ZINC001603770893 1350762477 /nfs/dbraw/zinc/76/24/77/1350762477.db2.gz NZGVTISMRZADSC-NSHDSACASA-N -1 1 347.394 2.331 20 0 EEADMM CC1(C)CC[C@@H](CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)OC1 ZINC001603770893 1350762482 /nfs/dbraw/zinc/76/24/82/1350762482.db2.gz NZGVTISMRZADSC-NSHDSACASA-N -1 1 347.394 2.331 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603821401 1350775736 /nfs/dbraw/zinc/77/57/36/1350775736.db2.gz KJEHZBSFLUPIKK-SFHVURJKSA-N -1 1 334.383 2.413 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603821401 1350775738 /nfs/dbraw/zinc/77/57/38/1350775738.db2.gz KJEHZBSFLUPIKK-SFHVURJKSA-N -1 1 334.383 2.413 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603934878 1350805611 /nfs/dbraw/zinc/80/56/11/1350805611.db2.gz CJDUZKRGTBNZRJ-WCBMZHEXSA-N -1 1 331.298 2.001 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603934878 1350805615 /nfs/dbraw/zinc/80/56/15/1350805615.db2.gz CJDUZKRGTBNZRJ-WCBMZHEXSA-N -1 1 331.298 2.001 20 0 EEADMM CC[C@@H](C)[C@](C)(O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603995960 1350824408 /nfs/dbraw/zinc/82/44/08/1350824408.db2.gz ATAILFNIHDVYNP-AMIZOPFISA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](C)[C@](C)(O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603995960 1350824413 /nfs/dbraw/zinc/82/44/13/1350824413.db2.gz ATAILFNIHDVYNP-AMIZOPFISA-N -1 1 344.341 2.490 20 0 EEADMM CCC1(CC)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCS1 ZINC001604085638 1350851134 /nfs/dbraw/zinc/85/11/34/1350851134.db2.gz YTVMYPXHORLXDY-UHFFFAOYSA-N -1 1 347.448 2.401 20 0 EEADMM CCC1(CC)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCS1 ZINC001604085638 1350851137 /nfs/dbraw/zinc/85/11/37/1350851137.db2.gz YTVMYPXHORLXDY-UHFFFAOYSA-N -1 1 347.448 2.401 20 0 EEADMM CCC1(CC)CCCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604086455 1350851800 /nfs/dbraw/zinc/85/18/00/1350851800.db2.gz UNRRIONQFKNEMB-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM CCCC(=O)N1CC[C@H]([C@H](C)Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001604120951 1350865188 /nfs/dbraw/zinc/86/51/88/1350865188.db2.gz ZYMQQPNNRGJCKX-ONGXEEELSA-N -1 1 349.464 2.081 20 0 EEADMM CCC[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001604128687 1350866764 /nfs/dbraw/zinc/86/67/64/1350866764.db2.gz YQIPHCHDQOJETF-HNNXBMFYSA-N -1 1 336.399 2.462 20 0 EEADMM CCC[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001604128687 1350866771 /nfs/dbraw/zinc/86/67/71/1350866771.db2.gz YQIPHCHDQOJETF-HNNXBMFYSA-N -1 1 336.399 2.462 20 0 EEADMM CCCC1CCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001604151981 1350875174 /nfs/dbraw/zinc/87/51/74/1350875174.db2.gz DWRLMKPTUWRWCT-UHFFFAOYSA-N -1 1 345.407 2.314 20 0 EEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604155745 1350877061 /nfs/dbraw/zinc/87/70/61/1350877061.db2.gz KHXGKJCWFLEWNI-QWRGUYRKSA-N -1 1 349.464 2.481 20 0 EEADMM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604155745 1350877066 /nfs/dbraw/zinc/87/70/66/1350877066.db2.gz KHXGKJCWFLEWNI-QWRGUYRKSA-N -1 1 349.464 2.481 20 0 EEADMM CCCC[C@H](CCC)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604163744 1350880960 /nfs/dbraw/zinc/88/09/60/1350880960.db2.gz SZYVNMAKWSSMAH-JTQLQIEISA-N -1 1 337.453 2.481 20 0 EEADMM CCCC[C@H](CCC)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604163744 1350880963 /nfs/dbraw/zinc/88/09/63/1350880963.db2.gz SZYVNMAKWSSMAH-JTQLQIEISA-N -1 1 337.453 2.481 20 0 EEADMM C[C@H](NCCC(=O)N(C)CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001604338959 1350918900 /nfs/dbraw/zinc/91/89/00/1350918900.db2.gz SJRNNAIALJWGDG-JTQLQIEISA-N -1 1 327.450 2.024 20 0 EEADMM CCONC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001604438233 1350938054 /nfs/dbraw/zinc/93/80/54/1350938054.db2.gz ROBBPLGZXLGNCV-UHFFFAOYSA-N -1 1 341.331 2.127 20 0 EEADMM CCONC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001604438233 1350938057 /nfs/dbraw/zinc/93/80/57/1350938057.db2.gz ROBBPLGZXLGNCV-UHFFFAOYSA-N -1 1 341.331 2.127 20 0 EEADMM CCc1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC001604524150 1350955059 /nfs/dbraw/zinc/95/50/59/1350955059.db2.gz VATUJIIXBAVYDP-KRWDZBQOSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC001604524150 1350955061 /nfs/dbraw/zinc/95/50/61/1350955061.db2.gz VATUJIIXBAVYDP-KRWDZBQOSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1ccccc1OCCC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001604534137 1350956571 /nfs/dbraw/zinc/95/65/71/1350956571.db2.gz AQXLXSXEXZFXOZ-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM CCc1ccccc1OCCC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001604534137 1350956574 /nfs/dbraw/zinc/95/65/74/1350956574.db2.gz AQXLXSXEXZFXOZ-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM CCc1nn(C)cc1Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604578498 1350963796 /nfs/dbraw/zinc/96/37/96/1350963796.db2.gz XICAPMFRFPIOMU-UHFFFAOYSA-N -1 1 338.297 2.320 20 0 EEADMM CCc1nn(C)cc1Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604578498 1350963799 /nfs/dbraw/zinc/96/37/99/1350963799.db2.gz XICAPMFRFPIOMU-UHFFFAOYSA-N -1 1 338.297 2.320 20 0 EEADMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])C2CC2)C[C@@](C)(F)C1 ZINC001604585795 1350965326 /nfs/dbraw/zinc/96/53/26/1350965326.db2.gz LBGNCYJVUHAWLU-MLGOLLRUSA-N -1 1 330.400 2.131 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CCc2ccccc2C1 ZINC001604643638 1350975765 /nfs/dbraw/zinc/97/57/65/1350975765.db2.gz RLPDXZCLNFYOLX-CQSZACIVSA-N -1 1 349.398 2.283 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CCc2ccccc2C1 ZINC001604643638 1350975766 /nfs/dbraw/zinc/97/57/66/1350975766.db2.gz RLPDXZCLNFYOLX-CQSZACIVSA-N -1 1 349.398 2.283 20 0 EEADMM C[C@H]1CC(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C[C@H](C)C1 ZINC001604654128 1350978548 /nfs/dbraw/zinc/97/85/48/1350978548.db2.gz FCVQKEMVJSPZQW-RBSFLKMASA-N -1 1 339.480 2.249 20 0 EEADMM C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-])CCOCC2 ZINC001604689400 1350985570 /nfs/dbraw/zinc/98/55/70/1350985570.db2.gz JINFMGDEQPLZHN-NSHDSACASA-N -1 1 338.429 2.276 20 0 EEADMM C[C@H]1CC2(CN1CC(=O)Nc1ccsc1C(=O)[O-])CCOCC2 ZINC001604689400 1350985573 /nfs/dbraw/zinc/98/55/73/1350985573.db2.gz JINFMGDEQPLZHN-NSHDSACASA-N -1 1 338.429 2.276 20 0 EEADMM CN(CC1(O)CCCCCC1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001604722649 1350991816 /nfs/dbraw/zinc/99/18/16/1350991816.db2.gz MCRCYLOVPJRQRK-UHFFFAOYSA-N -1 1 342.856 2.498 20 0 EEADMM CN(CC1(O)CCCCCC1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604722649 1350991819 /nfs/dbraw/zinc/99/18/19/1350991819.db2.gz MCRCYLOVPJRQRK-UHFFFAOYSA-N -1 1 342.856 2.498 20 0 EEADMM C[C@H]1CCCCN1C(=O)CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604730656 1350993505 /nfs/dbraw/zinc/99/35/05/1350993505.db2.gz SKCSYALAGVWJSP-RYUDHWBXSA-N -1 1 337.445 2.032 20 0 EEADMM C[C@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001604776149 1351000867 /nfs/dbraw/zinc/00/08/67/1351000867.db2.gz OSCVRJFTSXFZEY-XJNFMUPTSA-N -1 1 345.443 2.012 20 0 EEADMM COC(=O)[C@H](Sc1cccnc1-c1nnn[n-]1)c1ccsc1 ZINC001604911206 1351030321 /nfs/dbraw/zinc/03/03/21/1351030321.db2.gz GPTNVIWMEOAVMK-LLVKDONJSA-N -1 1 333.398 2.330 20 0 EEADMM COC(=O)[C@H](Sc1cccnc1-c1nn[n-]n1)c1ccsc1 ZINC001604911206 1351030325 /nfs/dbraw/zinc/03/03/25/1351030325.db2.gz GPTNVIWMEOAVMK-LLVKDONJSA-N -1 1 333.398 2.330 20 0 EEADMM CC[C@](C)(NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001604912712 1351031272 /nfs/dbraw/zinc/03/12/72/1351031272.db2.gz JKFPKGFCEJZLMF-QFYYESIMSA-N -1 1 328.359 2.327 20 0 EEADMM CO[C@H](CNC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001605007662 1351051376 /nfs/dbraw/zinc/05/13/76/1351051376.db2.gz CDXYGPXKUVNHKQ-GFCCVEGCSA-N -1 1 347.375 2.185 20 0 EEADMM CO[C@H](CNC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001605007662 1351051378 /nfs/dbraw/zinc/05/13/78/1351051378.db2.gz CDXYGPXKUVNHKQ-GFCCVEGCSA-N -1 1 347.375 2.185 20 0 EEADMM CC[C@@H](SCCN1CCN(c2cccc(OC)c2)CC1)C(=O)[O-] ZINC001605126009 1351082465 /nfs/dbraw/zinc/08/24/65/1351082465.db2.gz ILJBTXLIGDGEQT-MRXNPFEDSA-N -1 1 338.473 2.414 20 0 EEADMM COc1ccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001605257873 1351117810 /nfs/dbraw/zinc/11/78/10/1351117810.db2.gz YPMDIABNZKZKQR-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001605257873 1351117811 /nfs/dbraw/zinc/11/78/11/1351117811.db2.gz YPMDIABNZKZKQR-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001605319873 1351135560 /nfs/dbraw/zinc/13/55/60/1351135560.db2.gz RNRGGIMVFHCWJF-UHFFFAOYSA-N -1 1 347.762 2.360 20 0 EEADMM COc1cccc(Cl)c1CNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001605319873 1351135564 /nfs/dbraw/zinc/13/55/64/1351135564.db2.gz RNRGGIMVFHCWJF-UHFFFAOYSA-N -1 1 347.762 2.360 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001605332054 1351138702 /nfs/dbraw/zinc/13/87/02/1351138702.db2.gz NOMGITZTPQIQND-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001605332054 1351138705 /nfs/dbraw/zinc/13/87/05/1351138705.db2.gz NOMGITZTPQIQND-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ncc(NC(=O)C[C@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605346819 1351141930 /nfs/dbraw/zinc/14/19/30/1351141930.db2.gz DLWFVOBGUVLIMM-WDEREUQCSA-N -1 1 330.392 2.425 20 0 EEADMM CSc1nc(CNc2cc(C)cc(F)c2-c2nn[nH]n2)cc(=O)[n-]1 ZINC001605392403 1351152574 /nfs/dbraw/zinc/15/25/74/1351152574.db2.gz DQCOICLMNCMWCD-UHFFFAOYSA-N -1 1 347.379 2.144 20 0 EEADMM C[C@@]12COC[C@]1(C)CN(c1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC001605450528 1351160660 /nfs/dbraw/zinc/16/06/60/1351160660.db2.gz CPTIQLWQLSWBSH-HDICACEKSA-N -1 1 336.399 2.278 20 0 EEADMM C[C@@]12COC[C@]1(C)CN(c1cc(-c3nn[n-]n3)nc3ccccc31)C2 ZINC001605450528 1351160664 /nfs/dbraw/zinc/16/06/64/1351160664.db2.gz CPTIQLWQLSWBSH-HDICACEKSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2cccc(C(C)C)c2)nn1C ZINC001605466372 1351163883 /nfs/dbraw/zinc/16/38/83/1351163883.db2.gz XSRWDIALZBBHSV-UHFFFAOYSA-N -1 1 339.403 2.213 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2cccc(C(C)C)c2)nn1C ZINC001605466372 1351163884 /nfs/dbraw/zinc/16/38/84/1351163884.db2.gz XSRWDIALZBBHSV-UHFFFAOYSA-N -1 1 339.403 2.213 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(F)c3occc32)nn1C ZINC001605468176 1351164254 /nfs/dbraw/zinc/16/42/54/1351164254.db2.gz LNOVLTYHSNPOGY-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(F)c3occc32)nn1C ZINC001605468176 1351164258 /nfs/dbraw/zinc/16/42/58/1351164258.db2.gz LNOVLTYHSNPOGY-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(CCC(F)(F)F)CC2CC2)n1 ZINC001605556400 1351189496 /nfs/dbraw/zinc/18/94/96/1351189496.db2.gz WLKDTYKWOPEXIW-UHFFFAOYSA-N -1 1 327.314 2.134 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(CCC(F)(F)F)CC2CC2)n1 ZINC001605556400 1351189499 /nfs/dbraw/zinc/18/94/99/1351189499.db2.gz WLKDTYKWOPEXIW-UHFFFAOYSA-N -1 1 327.314 2.134 20 0 EEADMM CCOC[C@@H]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)C1 ZINC001605625721 1351204277 /nfs/dbraw/zinc/20/42/77/1351204277.db2.gz GMDOOZGXNSSIIH-GFCCVEGCSA-N -1 1 330.384 2.407 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2cc(C)cc(C)c2)c1-c1nn[n-]n1 ZINC001605646366 1351209637 /nfs/dbraw/zinc/20/96/37/1351209637.db2.gz KPPHBHBLNLXQFK-UHFFFAOYSA-N -1 1 325.376 2.086 20 0 EEADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001605837232 1351232595 /nfs/dbraw/zinc/23/25/95/1351232595.db2.gz XZMSMDFAUCMAAO-FHLIZLRMSA-N -1 1 344.455 2.360 20 0 EEADMM Cc1ccc(NCCNC(=O)CC2CCCCC2)nc1-c1nnn[n-]1 ZINC001605874686 1351243276 /nfs/dbraw/zinc/24/32/76/1351243276.db2.gz MVKBUQIEQNGLSB-UHFFFAOYSA-N -1 1 343.435 2.069 20 0 EEADMM Cc1ccc(NCCNC(=O)CC2CCCCC2)nc1-c1nn[n-]n1 ZINC001605874686 1351243280 /nfs/dbraw/zinc/24/32/80/1351243280.db2.gz MVKBUQIEQNGLSB-UHFFFAOYSA-N -1 1 343.435 2.069 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)cc1C ZINC001605875694 1351243761 /nfs/dbraw/zinc/24/37/61/1351243761.db2.gz WMKHXOYEENELIZ-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1NC(=O)N(C)C ZINC001605875616 1351244164 /nfs/dbraw/zinc/24/41/64/1351244164.db2.gz SBPYHBRMTXQJDX-UHFFFAOYSA-N -1 1 341.375 2.474 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1NC(=O)N(C)C ZINC001605875616 1351244166 /nfs/dbraw/zinc/24/41/66/1351244166.db2.gz SBPYHBRMTXQJDX-UHFFFAOYSA-N -1 1 341.375 2.474 20 0 EEADMM CN(C)[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccsc1 ZINC001606012158 1351263504 /nfs/dbraw/zinc/26/35/04/1351263504.db2.gz MOQAANPKUXPXLM-YUTCNCBUSA-N -1 1 339.461 2.293 20 0 EEADMM CN(CC1CCCCC1)C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001606101454 1351271089 /nfs/dbraw/zinc/27/10/89/1351271089.db2.gz VSTWHZGJRFODOE-IBGZPJMESA-N -1 1 347.459 2.400 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC001606110092 1351272305 /nfs/dbraw/zinc/27/23/05/1351272305.db2.gz KKQMABPCPWUEHS-VMPITWQZSA-N -1 1 343.778 2.214 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606110092 1351272306 /nfs/dbraw/zinc/27/23/06/1351272306.db2.gz KKQMABPCPWUEHS-VMPITWQZSA-N -1 1 343.778 2.214 20 0 EEADMM Cc1nsc(NCC[C@@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001606158380 1351279465 /nfs/dbraw/zinc/27/94/65/1351279465.db2.gz LEEDLXUJQGGFLP-SECBINFHSA-N -1 1 347.448 2.049 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3ncccn3)C2)nc1-c1nnn[n-]1 ZINC001606191054 1351283959 /nfs/dbraw/zinc/28/39/59/1351283959.db2.gz DPCFKBQZDSGOGJ-JTQLQIEISA-N -1 1 342.794 2.089 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3ncccn3)C2)nc1-c1nn[n-]n1 ZINC001606191054 1351283960 /nfs/dbraw/zinc/28/39/60/1351283960.db2.gz DPCFKBQZDSGOGJ-JTQLQIEISA-N -1 1 342.794 2.089 20 0 EEADMM Clc1sc(Oc2cccc(-n3cncn3)c2)nc1-c1nn[n-]n1 ZINC001606202846 1351284452 /nfs/dbraw/zinc/28/44/52/1351284452.db2.gz NIHJYOIXWGSKOQ-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ncc(-c2nnn[n-]2)s1 ZINC001606493091 1351311615 /nfs/dbraw/zinc/31/16/15/1351311615.db2.gz UQLWMWWRSUECGY-PRHODGIISA-N -1 1 340.359 2.477 20 0 EEADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ncc(-c2nn[n-]n2)s1 ZINC001606493091 1351311618 /nfs/dbraw/zinc/31/16/18/1351311618.db2.gz UQLWMWWRSUECGY-PRHODGIISA-N -1 1 340.359 2.477 20 0 EEADMM O=C(C[C@H]1CCCC1(F)F)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606499346 1351312493 /nfs/dbraw/zinc/31/24/93/1351312493.db2.gz HFJZDVIYCRQWPI-SSDOTTSWSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(C[C@H]1CCCC1(F)F)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606499346 1351312496 /nfs/dbraw/zinc/31/24/96/1351312496.db2.gz HFJZDVIYCRQWPI-SSDOTTSWSA-N -1 1 329.332 2.192 20 0 EEADMM CO[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC001606704350 1351344646 /nfs/dbraw/zinc/34/46/46/1351344646.db2.gz WWQSAYKFBATZQS-ACJLOTCBSA-N -1 1 334.416 2.313 20 0 EEADMM O=C(NCCC1CCC(F)(F)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606761627 1351353384 /nfs/dbraw/zinc/35/33/84/1351353384.db2.gz PLRDKPQRXQEZTK-UHFFFAOYSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NCCC1CCC(F)(F)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606761627 1351353389 /nfs/dbraw/zinc/35/33/89/1351353389.db2.gz PLRDKPQRXQEZTK-UHFFFAOYSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NCCC[C@H]1CCCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606764965 1351353773 /nfs/dbraw/zinc/35/37/73/1351353773.db2.gz XGZVAZIDYNTYQL-LLVKDONJSA-N -1 1 333.367 2.085 20 0 EEADMM O=C(NCCC[C@H]1CCCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606764965 1351353777 /nfs/dbraw/zinc/35/37/77/1351353777.db2.gz XGZVAZIDYNTYQL-LLVKDONJSA-N -1 1 333.367 2.085 20 0 EEADMM COC[C@@]1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCCCN1 ZINC001606824599 1351361693 /nfs/dbraw/zinc/36/16/93/1351361693.db2.gz RCLCZMHFBUTPEO-OAHLLOKOSA-N -1 1 344.770 2.275 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC001606831404 1351363425 /nfs/dbraw/zinc/36/34/25/1351363425.db2.gz YMBBLGYMDFEIOL-PHIMTYICSA-N -1 1 332.433 2.260 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001606831367 1351363689 /nfs/dbraw/zinc/36/36/89/1351363689.db2.gz XSSSSLOQUJLXRB-JQWIXIFHSA-N -1 1 332.433 2.402 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cc2cccc(F)c2o1 ZINC001606844548 1351366098 /nfs/dbraw/zinc/36/60/98/1351366098.db2.gz RQWINMGPRMDNND-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cc2cccc(F)c2o1 ZINC001606844548 1351366101 /nfs/dbraw/zinc/36/61/01/1351366101.db2.gz RQWINMGPRMDNND-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(O)ccc1Cl ZINC001606897255 1351371717 /nfs/dbraw/zinc/37/17/17/1351371717.db2.gz AOVKZUMFZDPCFI-UHFFFAOYSA-N -1 1 331.719 2.184 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)Nc1ccccc1OCCF ZINC001606935678 1351379930 /nfs/dbraw/zinc/37/99/30/1351379930.db2.gz 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CC[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)O1 ZINC000848340542 1373136958 /nfs/dbraw/zinc/13/69/58/1373136958.db2.gz HQUPUMNBSUDPDT-KKOKHZNYSA-N -1 1 336.354 2.002 20 0 EEADMM CC1(C)C[N@H+](C2(CNC(=O)c3ccc(O)cn3)CCCCC2)CCO1 ZINC001361825268 1373343724 /nfs/dbraw/zinc/34/37/24/1373343724.db2.gz YVAFTCLCOKCCCL-UHFFFAOYSA-N -1 1 347.459 2.331 20 0 EEADMM CC(C)C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)OC(C)C ZINC001361875700 1373350249 /nfs/dbraw/zinc/35/02/49/1373350249.db2.gz WSVDVXTXYBSYEH-ZDUSSCGKSA-N -1 1 335.404 2.156 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c(=O)[n-]1 ZINC001362124599 1373368338 /nfs/dbraw/zinc/36/83/38/1373368338.db2.gz XTZYGNNWUXPHQA-UHFFFAOYSA-N -1 1 346.412 2.295 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001362438347 1373410751 /nfs/dbraw/zinc/41/07/51/1373410751.db2.gz SBWAAPWOUGGEOS-CYBMUJFWSA-N -1 1 337.420 2.456 20 0 EEADMM Cn1nccc1[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CCO1 ZINC001362447635 1373411714 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C=Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001369820221 1374665738 /nfs/dbraw/zinc/66/57/38/1374665738.db2.gz DQOGIEYMEGBABZ-ZDUSSCGKSA-N -1 1 339.395 2.321 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001370260465 1374861147 /nfs/dbraw/zinc/86/11/47/1374861147.db2.gz XQVVWHZVKNJTRZ-KGLIPLIRSA-N -1 1 333.432 2.381 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001370472156 1374953726 /nfs/dbraw/zinc/95/37/26/1374953726.db2.gz LOILCKNSUYVRKZ-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CCCC(CCC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372247410 1375882530 /nfs/dbraw/zinc/88/25/30/1375882530.db2.gz KMZFMPNKRQGRLI-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CCCC1 ZINC001375059504 1377327313 /nfs/dbraw/zinc/32/73/13/1377327313.db2.gz LMKJSRASIJTDKD-TZMCWYRMSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@H](CNC(=O)c1cccn1C(C)C)NC(=O)c1ncccc1[O-] ZINC001375086173 1377356980 /nfs/dbraw/zinc/35/69/80/1377356980.db2.gz CIRYLVLFBOZGOT-ZDUSSCGKSA-N -1 1 344.415 2.108 20 0 EEADMM CCCCC(=O)N1CCC2(CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001375558210 1377848537 /nfs/dbraw/zinc/84/85/37/1377848537.db2.gz VSKAXNLUKIDLCL-UHFFFAOYSA-N -1 1 345.443 2.432 20 0 EEADMM C[C@@H](c1c(F)cccc1F)N(C)CCNC(=O)c1ncccc1[O-] ZINC001377143053 1379001051 /nfs/dbraw/zinc/00/10/51/1379001051.db2.gz ZEDLZNXQAGMVOS-NSHDSACASA-N -1 1 335.354 2.488 20 0 EEADMM CC(C)CCC(=O)N[C@@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@@H]1C ZINC001378432276 1379952972 /nfs/dbraw/zinc/95/29/72/1379952972.db2.gz ZETUYUDQMLUFJC-SUMWQHHRSA-N -1 1 337.468 2.101 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])c(C)s1 ZINC001380793090 1381376698 /nfs/dbraw/zinc/37/66/98/1381376698.db2.gz JDYNHVAWQYKSSO-SNVBAGLBSA-N -1 1 347.440 2.356 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C12CCC(CC1)CC2 ZINC001381964094 1381886817 /nfs/dbraw/zinc/88/68/17/1381886817.db2.gz SXZFBWOCGUHSMV-CDJWAVJASA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CCCC1 ZINC001381962492 1381886890 /nfs/dbraw/zinc/88/68/90/1381886890.db2.gz MTCDGPVBRIPSCH-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](CN(C)C(=O)c1cccc(C2CCC2)c1)NCc1n[nH]c(=O)[n-]1 ZINC001382159332 1382015511 /nfs/dbraw/zinc/01/55/11/1382015511.db2.gz WJPGTTWXJGGBOY-GFCCVEGCSA-N -1 1 343.431 2.028 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1occc1C ZINC001383207224 1382389995 /nfs/dbraw/zinc/38/99/95/1382389995.db2.gz VBRYYYUQFQBTBO-CYBMUJFWSA-N -1 1 345.399 2.407 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CCC1 ZINC001384400169 1382926856 /nfs/dbraw/zinc/92/68/56/1382926856.db2.gz CFLSUTLRQLTYIY-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](NC(=O)CCC1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386461884 1386151177 /nfs/dbraw/zinc/15/11/77/1386151177.db2.gz ODHVEQZAZNCGAU-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@H](CC)C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001386888975 1386375006 /nfs/dbraw/zinc/37/50/06/1386375006.db2.gz OLBOZERKUWPNDG-LBPRGKRZSA-N -1 1 348.447 2.074 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C1=CCCCCC1 ZINC001387178792 1386553136 /nfs/dbraw/zinc/55/31/36/1386553136.db2.gz DKVNNNUHVYIJQM-UHFFFAOYSA-N -1 1 331.416 2.256 20 0 EEADMM CCC(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001387345133 1386662738 /nfs/dbraw/zinc/66/27/38/1386662738.db2.gz ZUGUFLWQTBMRBC-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)CC(=O)NC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387543062 1386820376 /nfs/dbraw/zinc/82/03/76/1386820376.db2.gz QSVRHCKAXUQRLE-OAHLLOKOSA-N -1 1 341.411 2.421 20 0 EEADMM CCC(C)(C)CC(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001391356276 1389305591 /nfs/dbraw/zinc/30/55/91/1389305591.db2.gz HKFNBJGWPYHYMA-UHFFFAOYSA-N -1 1 337.468 2.007 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)C(C)(C)F)NC(=O)c1ncccc1[O-] ZINC001395212290 1390800897 /nfs/dbraw/zinc/80/08/97/1390800897.db2.gz CCIORXCFQCEBJP-LBPRGKRZSA-N -1 1 339.411 2.138 20 0 EEADMM CCC(C)(C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001397007038 1391001832 /nfs/dbraw/zinc/00/18/32/1391001832.db2.gz CZMMCPCEMDUGKH-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CC1(C)CC(CC(=O)NCCC[C@@H]2CCCN2Cc2n[nH]c(=O)[n-]2)C1 ZINC001753035114 1406618803 /nfs/dbraw/zinc/61/88/03/1406618803.db2.gz WQQJGBQBOGEKQG-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NC2(C)Cc3ccccc3C2)c1 ZINC001423848110 1400806411 /nfs/dbraw/zinc/80/64/11/1400806411.db2.gz AADFITDAQIIJRN-UHFFFAOYSA-N -1 1 333.409 2.237 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(CNC(=O)C2(C)CCC2)cc1 ZINC001424083449 1400904506 /nfs/dbraw/zinc/90/45/06/1400904506.db2.gz WHZNRTDNPDTNIV-LBPRGKRZSA-N -1 1 343.431 2.168 20 0 EEADMM Cc1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])ccc1F ZINC001425045570 1401409544 /nfs/dbraw/zinc/40/95/44/1401409544.db2.gz RONNXEPGBYJNAH-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425709759 1401752119 /nfs/dbraw/zinc/75/21/19/1401752119.db2.gz IMDIEHALGGRXLV-UONOGXRCSA-N -1 1 347.459 2.484 20 0 EEADMM CC[C@H](C)C(=O)N[C@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001426915855 1402251772 /nfs/dbraw/zinc/25/17/72/1402251772.db2.gz LHFGHYDGYYCFBD-UONOGXRCSA-N -1 1 335.448 2.436 20 0 EEADMM CC[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001427796175 1402530133 /nfs/dbraw/zinc/53/01/33/1402530133.db2.gz YHWSNIWESLGYCW-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@H]1C ZINC001576140160 1403560408 /nfs/dbraw/zinc/56/04/08/1403560408.db2.gz ZSWVYARVPVXXCU-OPRDCNLKSA-N -1 1 334.811 2.470 20 0 EEADMM CCC[C@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001577255106 1403628875 /nfs/dbraw/zinc/62/88/75/1403628875.db2.gz QBSAXTMMUQQGRY-NSHDSACASA-N -1 1 348.476 2.007 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(Cl)cc2)c1 ZINC001580608509 1403862692 /nfs/dbraw/zinc/86/26/92/1403862692.db2.gz CZHLLMKPYYSWFU-UHFFFAOYSA-N -1 1 331.763 2.069 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001591896377 1403969062 /nfs/dbraw/zinc/96/90/62/1403969062.db2.gz FFBWRNSFBFLKOB-YPMHNXCESA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCO[C@@H]2C(C)(C)C)n1 ZINC001591896377 1403969074 /nfs/dbraw/zinc/96/90/74/1403969074.db2.gz FFBWRNSFBFLKOB-YPMHNXCESA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC3(CCCCC3)O2)n1 ZINC001591895258 1403969838 /nfs/dbraw/zinc/96/98/38/1403969838.db2.gz ZZWTXEAHUIJBBC-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC3(CCCCC3)O2)n1 ZINC001591895258 1403969845 /nfs/dbraw/zinc/96/98/45/1403969845.db2.gz ZZWTXEAHUIJBBC-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1cc(N2CCO[C@@H](Cc3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592009030 1403982284 /nfs/dbraw/zinc/98/22/84/1403982284.db2.gz REIZHJZCRLQJNO-INIZCTEOSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1cc(N2CCO[C@@H](Cc3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592009030 1403982288 /nfs/dbraw/zinc/98/22/88/1403982288.db2.gz REIZHJZCRLQJNO-INIZCTEOSA-N -1 1 336.399 2.018 20 0 EEADMM Cc1nsc(NCCc2nn(C)c3ccccc23)c1-c1nn[n-]n1 ZINC001592491906 1404701107 /nfs/dbraw/zinc/70/11/07/1404701107.db2.gz SVGCERGCXLSRID-UHFFFAOYSA-N -1 1 340.416 2.173 20 0 EEADMM Cc1nsc(NC(=O)c2cc3c(s2)CCOC3)c1-c1nnn[n-]1 ZINC001592482110 1404701394 /nfs/dbraw/zinc/70/13/94/1404701394.db2.gz SKUZMRZWBCULNW-UHFFFAOYSA-N -1 1 348.413 2.018 20 0 EEADMM Cc1nsc(NC(=O)c2cc3c(s2)CCOC3)c1-c1nn[n-]n1 ZINC001592482110 1404701399 /nfs/dbraw/zinc/70/13/99/1404701399.db2.gz SKUZMRZWBCULNW-UHFFFAOYSA-N -1 1 348.413 2.018 20 0 EEADMM Cc1nsc(N[C@H](C)[C@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482290 1404701709 /nfs/dbraw/zinc/70/17/09/1404701709.db2.gz BVFILVRAXXITKC-DTWKUNHWSA-N -1 1 347.448 2.047 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593031192 1404735548 /nfs/dbraw/zinc/73/55/48/1404735548.db2.gz UAXJONNVTIHGSV-FGWVZKOKSA-N -1 1 345.432 2.057 20 0 EEADMM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593031192 1404735553 /nfs/dbraw/zinc/73/55/53/1404735553.db2.gz UAXJONNVTIHGSV-FGWVZKOKSA-N -1 1 345.432 2.057 20 0 EEADMM O=C(NC[C@H]1CCOc2ccccc21)c1csc(-c2nn[n-]n2)c1 ZINC001593044542 1404739156 /nfs/dbraw/zinc/73/91/56/1404739156.db2.gz LSJSAAYORAQMCN-SNVBAGLBSA-N -1 1 341.396 2.224 20 0 EEADMM CCc1[nH]c(C(=O)NC[C@H](N)c2ccccc2OC)c(C)c1C(=O)[O-] ZINC001605768342 1404753135 /nfs/dbraw/zinc/75/31/35/1404753135.db2.gz TUIWVVLXEDUPHH-LBPRGKRZSA-N -1 1 345.399 2.022 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC001606020452 1404756098 /nfs/dbraw/zinc/75/60/98/1404756098.db2.gz ZHBSIJIEMUOXHC-APPZFPTMSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C(F)(F)F)CC[C@H]2C)n1 ZINC001606020452 1404756101 /nfs/dbraw/zinc/75/61/01/1404756101.db2.gz ZHBSIJIEMUOXHC-APPZFPTMSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606034438 1404758134 /nfs/dbraw/zinc/75/81/34/1404758134.db2.gz XFHTVGGQQRUWRK-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606034438 1404758136 /nfs/dbraw/zinc/75/81/36/1404758136.db2.gz XFHTVGGQQRUWRK-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM Cc1nsc(NC(=O)C2(c3cccc(F)c3)CC2)c1-c1nnn[n-]1 ZINC001606149091 1404769447 /nfs/dbraw/zinc/76/94/47/1404769447.db2.gz DODKRPWXPPDIPW-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1nsc(NC(=O)C2(c3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC001606149091 1404769449 /nfs/dbraw/zinc/76/94/49/1404769449.db2.gz DODKRPWXPPDIPW-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)COc1ccc(F)cc1 ZINC001606166337 1404770676 /nfs/dbraw/zinc/77/06/76/1404770676.db2.gz BGPNNLGTFCULRX-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)COc1ccc(F)cc1 ZINC001606166337 1404770680 /nfs/dbraw/zinc/77/06/80/1404770680.db2.gz BGPNNLGTFCULRX-SECBINFHSA-N -1 1 345.334 2.105 20 0 EEADMM Fc1cc(Nc2ccnc(-c3nnn[n-]3)c2)cc(F)c1N1CCCC1 ZINC001606312061 1404786666 /nfs/dbraw/zinc/78/66/66/1404786666.db2.gz AQKMVZIBAFBGIT-UHFFFAOYSA-N -1 1 343.341 2.306 20 0 EEADMM Fc1cc(Nc2ccnc(-c3nn[n-]n3)c2)cc(F)c1N1CCCC1 ZINC001606312061 1404786679 /nfs/dbraw/zinc/78/66/79/1404786679.db2.gz AQKMVZIBAFBGIT-UHFFFAOYSA-N -1 1 343.341 2.306 20 0 EEADMM Fc1cccc([C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001606327338 1404793058 /nfs/dbraw/zinc/79/30/58/1404793058.db2.gz KOITVJBPCJIWLP-CQSZACIVSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1cccc([C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001606327338 1404793064 /nfs/dbraw/zinc/79/30/64/1404793064.db2.gz KOITVJBPCJIWLP-CQSZACIVSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccc(N2CC[C@@H](CNc3cccnc3-c3nnn[n-]3)C2)cc1 ZINC001606321909 1404793179 /nfs/dbraw/zinc/79/31/79/1404793179.db2.gz IXVVNBQUEKUXPU-LBPRGKRZSA-N -1 1 339.378 2.339 20 0 EEADMM Fc1ccc(N2CC[C@@H](CNc3cccnc3-c3nn[n-]n3)C2)cc1 ZINC001606321909 1404793186 /nfs/dbraw/zinc/79/31/86/1404793186.db2.gz IXVVNBQUEKUXPU-LBPRGKRZSA-N -1 1 339.378 2.339 20 0 EEADMM CCOC(=O)C[C@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000165050807 1405714183 /nfs/dbraw/zinc/71/41/83/1405714183.db2.gz CJZHBPLDBLJIQQ-GFCCVEGCSA-N -1 1 347.444 2.378 20 0 EEADMM O=C(NC1(CNC(=O)C2CC=CC2)CCCCC1)c1ncccc1[O-] ZINC001756102147 1408139566 /nfs/dbraw/zinc/13/95/66/1408139566.db2.gz FPTNYKXLSRMTEE-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001772089919 1410039057 /nfs/dbraw/zinc/03/90/57/1410039057.db2.gz NCSILXJLBZABFK-MWODSPESSA-N -1 1 342.189 2.145 20 0 EEADMM COc1ccccc1[C@@H](C)N(C)c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001167108462 757332134 /nfs/dbraw/zinc/33/21/34/757332134.db2.gz DNTMCZGVEGQJHF-LLVKDONJSA-N -1 1 325.368 2.480 20 0 EEADMM CCC[C@@](C)(CC)C(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001167545545 760265971 /nfs/dbraw/zinc/26/59/71/760265971.db2.gz CUUGHDPWMFTZIY-MRXNPFEDSA-N -1 1 337.468 2.103 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)NCc1nc(CNCc2ccsc2)cc(=O)[nH]1 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O=C(NC[C@H]1CCCN1Cc1ncc(C2CC2)o1)c1ncccc1[O-] ZINC001027842932 773396996 /nfs/dbraw/zinc/39/69/96/773396996.db2.gz AWEFKELXGXKBQL-CYBMUJFWSA-N -1 1 342.399 2.047 20 0 EEADMM CC[C@H](C)C(=O)N1CC[C@@]2(CNC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC000995280358 783193070 /nfs/dbraw/zinc/19/30/70/783193070.db2.gz VOCDIRANWMXRTK-ZBQZNYHESA-N -1 1 345.443 2.334 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cccc(F)c2)CC1 ZINC000981026682 776401314 /nfs/dbraw/zinc/40/13/14/776401314.db2.gz JDKNBFAFLFURRE-UHFFFAOYSA-N -1 1 329.375 2.274 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2c(F)cccc2F)CC1 ZINC000981027148 776402688 /nfs/dbraw/zinc/40/26/88/776402688.db2.gz SGBCCVAUDWXDCM-UHFFFAOYSA-N -1 1 347.365 2.414 20 0 EEADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC000060554486 790454055 /nfs/dbraw/zinc/45/40/55/790454055.db2.gz GZSGVFSLTPPWBE-UHFFFAOYSA-N -1 1 347.364 2.169 20 0 EEADMM CCCCCC(=O)NCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001075625241 779827292 /nfs/dbraw/zinc/82/72/92/779827292.db2.gz VTQDGLMVRSMMAQ-LBPRGKRZSA-N -1 1 348.447 2.265 20 0 EEADMM C[C@@H](Oc1ccccc1)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079655 780550597 /nfs/dbraw/zinc/55/05/97/780550597.db2.gz WWYXLXGZCCDXNR-LLVKDONJSA-N -1 1 332.429 2.402 20 0 EEADMM COc1ccc(C)cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060861847 790805479 /nfs/dbraw/zinc/80/54/79/790805479.db2.gz LMHDQGZXFQLAFF-WQLSENKSSA-N -1 1 347.440 2.199 20 0 EEADMM Cc1c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cccc1C(N)=O ZINC001167935475 780992627 /nfs/dbraw/zinc/99/26/27/780992627.db2.gz AFLPGDCYZGQMHA-UHFFFAOYSA-N -1 1 346.323 2.179 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ccc3c(c2)OCO3)Cc2ccccc2C1 ZINC001167935945 780997434 /nfs/dbraw/zinc/99/74/34/780997434.db2.gz FXUJNIJXKVYTLR-UHFFFAOYSA-N -1 1 333.280 2.500 20 0 EEADMM CCN(CCNc1cccc(F)n1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001106965541 781740125 /nfs/dbraw/zinc/74/01/25/781740125.db2.gz AVIKIVXJNDOYOV-UHFFFAOYSA-N -1 1 345.378 2.168 20 0 EEADMM Cc1sccc1C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088311856 783467479 /nfs/dbraw/zinc/46/74/79/783467479.db2.gz IMUPNUVBIGSELJ-LBPRGKRZSA-N -1 1 349.460 2.055 20 0 EEADMM C/C(=C\C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](C)C1)C1CC1 ZINC000945202710 783576328 /nfs/dbraw/zinc/57/63/28/783576328.db2.gz TUEZQPVHONPGMR-LEJUKPKUSA-N -1 1 343.427 2.110 20 0 EEADMM O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C1CCCC1 ZINC000906005259 783637750 /nfs/dbraw/zinc/63/77/50/783637750.db2.gz OFBDGESCZIKQDH-GFCCVEGCSA-N -1 1 333.356 2.277 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945265291 783717560 /nfs/dbraw/zinc/71/75/60/783717560.db2.gz LKXQJSDUKCNXCH-VXGBXAGGSA-N -1 1 335.379 2.017 20 0 EEADMM CC1(C)CCC[C@H](CC(=O)N2CCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC001035104532 783748142 /nfs/dbraw/zinc/74/81/42/783748142.db2.gz UQIPPBFUUBEEJF-ZIAGYGMSSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945386274 784013816 /nfs/dbraw/zinc/01/38/16/784013816.db2.gz RINWHASEDBRHAO-STQMWFEESA-N -1 1 349.406 2.036 20 0 EEADMM C[C@H](C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C(C)(F)F ZINC000816561694 784130304 /nfs/dbraw/zinc/13/03/04/784130304.db2.gz IFFQWZUSCMHKAW-MRVPVSSYSA-N -1 1 330.297 2.195 20 0 EEADMM CCC1(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](C)C2)CCC1 ZINC000945451543 784144143 /nfs/dbraw/zinc/14/41/43/784144143.db2.gz KWSVRRJCFQXMAR-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCO[C@H]3C[C@H]32)c([O-])c1 ZINC000816896092 784324785 /nfs/dbraw/zinc/32/47/85/784324785.db2.gz ATBNUYWWLUIKCG-OCCSQVGLSA-N -1 1 334.372 2.353 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000945611855 784502818 /nfs/dbraw/zinc/50/28/18/784502818.db2.gz XKFGHSARRCQYGT-KJOMZIQVSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H](CN(C)C(=O)Cc1coc2c1ccc(F)c2F)c1nn[n-]n1 ZINC000907348964 784575629 /nfs/dbraw/zinc/57/56/29/784575629.db2.gz CZVGDVGCZCXZGT-QMMMGPOBSA-N -1 1 335.314 2.029 20 0 EEADMM COc1ccc([C@@H](C)CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907477912 784647453 /nfs/dbraw/zinc/64/74/53/784647453.db2.gz VUBQDPSGCLOJJU-SMDDNHRTSA-N -1 1 347.444 2.019 20 0 EEADMM Cn1ccnc1CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817295359 784663372 /nfs/dbraw/zinc/66/33/72/784663372.db2.gz ZCRYUQUSCSZJOS-LBPRGKRZSA-N -1 1 338.333 2.030 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)C1CC=CC1 ZINC000945753194 784775378 /nfs/dbraw/zinc/77/53/78/784775378.db2.gz BKUBXKWHGLESPU-UKRRQHHQSA-N -1 1 343.427 2.110 20 0 EEADMM CS/C=C/C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817489458 784792455 /nfs/dbraw/zinc/79/24/55/784792455.db2.gz BKTAJLOBBYAIMT-XUIVZRPNSA-N -1 1 344.358 2.500 20 0 EEADMM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907944524 784976897 /nfs/dbraw/zinc/97/68/97/784976897.db2.gz UIOZLYWIQJTXQQ-OAHLLOKOSA-N -1 1 349.479 2.252 20 0 EEADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N2CCc3c2cccc3C(=O)[O-])C1 ZINC000907982610 785007502 /nfs/dbraw/zinc/00/75/02/785007502.db2.gz LTRWMQRZBRBZCJ-IINYFYTJSA-N -1 1 325.368 2.363 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945882689 785024605 /nfs/dbraw/zinc/02/46/05/785024605.db2.gz KGHZRGIQPWYLHI-GJZGRUSLSA-N -1 1 345.443 2.286 20 0 EEADMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(F)cc1Cl ZINC000817926211 785078341 /nfs/dbraw/zinc/07/83/41/785078341.db2.gz AJKODGFAZBOYOO-UHFFFAOYSA-N -1 1 348.739 2.147 20 0 EEADMM O=C(CC1CCC1)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000945929739 785140028 /nfs/dbraw/zinc/14/00/28/785140028.db2.gz MPUPROIQFROWPP-CABCVRRESA-N -1 1 343.427 2.040 20 0 EEADMM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000908234087 785252999 /nfs/dbraw/zinc/25/29/99/785252999.db2.gz FFXDOHJPXPJZKD-CQSZACIVSA-N -1 1 341.411 2.033 20 0 EEADMM O=C(CNC(=O)c1ncc2ccccc2c1[O-])NCCc1ccccc1 ZINC001136238465 785591359 /nfs/dbraw/zinc/59/13/59/785591359.db2.gz OJNCRFJAUMTQSW-UHFFFAOYSA-N -1 1 349.390 2.029 20 0 EEADMM CN1C(=O)CCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908718061 785646888 /nfs/dbraw/zinc/64/68/88/785646888.db2.gz 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788225519 /nfs/dbraw/zinc/22/55/19/788225519.db2.gz CMYHWHLDIPOFQI-OAHLLOKOSA-N -1 1 331.416 2.481 20 0 EEADMM CCOc1cc(C(=O)N[C@H]2CCCC23OCCO3)cc(Cl)c1[O-] ZINC000912632334 788277616 /nfs/dbraw/zinc/27/76/16/788277616.db2.gz HRAVGZPMORALGB-ZDUSSCGKSA-N -1 1 341.791 2.470 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)c1nn[n-]n1 ZINC000912860711 788420117 /nfs/dbraw/zinc/42/01/17/788420117.db2.gz VEOYQCSCHMTOFE-MFKMUULPSA-N -1 1 337.424 2.128 20 0 EEADMM CSCC[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1nn[n-]n1 ZINC000912863311 788427094 /nfs/dbraw/zinc/42/70/94/788427094.db2.gz SUTXZBOIMVSHRN-AWEZNQCLSA-N -1 1 331.445 2.230 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H]1c1cccnc1 ZINC000825425384 788630819 /nfs/dbraw/zinc/63/08/19/788630819.db2.gz SEAHOWIMBWJLPZ-ZDUSSCGKSA-N -1 1 325.397 2.390 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc3n[n-]c(=S)n3c2)on1 ZINC000825467422 788644293 /nfs/dbraw/zinc/64/42/93/788644293.db2.gz VBDZYDJUZZHZJS-LLVKDONJSA-N -1 1 329.385 2.292 20 0 EEADMM CC(C)C[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060245706 788825973 /nfs/dbraw/zinc/82/59/73/788825973.db2.gz RKMHYSQIGKQBIX-GJZGRUSLSA-N -1 1 347.459 2.438 20 0 EEADMM O=C([O-])CCCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000844250587 788939417 /nfs/dbraw/zinc/93/94/17/788939417.db2.gz WFAIKXUEPBKTHK-UHFFFAOYSA-N -1 1 342.399 2.433 20 0 EEADMM C[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403741 789071913 /nfs/dbraw/zinc/07/19/13/789071913.db2.gz XWBLREAGFQGOCX-RYUDHWBXSA-N -1 1 339.440 2.026 20 0 EEADMM CC1(CCC(=O)NC2(CNC(=O)c3ncccc3[O-])CCC2)CC1 ZINC001062840569 789933312 /nfs/dbraw/zinc/93/33/12/789933312.db2.gz IZQLEGMQJCAAQY-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840975 789933818 /nfs/dbraw/zinc/93/38/18/789933818.db2.gz ROVLHQLWOMZWOX-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840974 789933844 /nfs/dbraw/zinc/93/38/44/789933844.db2.gz ROVLHQLWOMZWOX-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@H](C)CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062839531 789938644 /nfs/dbraw/zinc/93/86/44/789938644.db2.gz UNFQBQAIGUFWMA-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)o1 ZINC000046314881 789969541 /nfs/dbraw/zinc/96/95/41/789969541.db2.gz LCLAPOGRBKJYBU-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM COc1cnc(O[C@H]2CCN(Cc3cc(F)c([O-])cc3F)C2)nc1 ZINC001144663272 790018794 /nfs/dbraw/zinc/01/87/94/790018794.db2.gz BJFFUNQAWUCOJZ-NSHDSACASA-N -1 1 337.326 2.122 20 0 EEADMM C[C@@H](Nc1cnc(F)cn1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881138 791876516 /nfs/dbraw/zinc/87/65/16/791876516.db2.gz OHPBWKVMODMKQU-VXGBXAGGSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ccc(N[C@@H](C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001063881279 791877059 /nfs/dbraw/zinc/87/70/59/791877059.db2.gz QQUDJAYBHQNWOX-KBPBESRZSA-N -1 1 341.415 2.238 20 0 EEADMM O=C([N-]c1nnc(-c2ccco2)o1)c1cncc(Br)n1 ZINC001147862031 792020936 /nfs/dbraw/zinc/02/09/36/792020936.db2.gz LGKFPEKSEKTJIP-UHFFFAOYSA-N -1 1 336.105 2.134 20 0 EEADMM CCC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)CCC1 ZINC001064073140 792284726 /nfs/dbraw/zinc/28/47/26/792284726.db2.gz NMBVQJNAUKGPGP-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CCc1nsc(NC[C@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064093739 792336371 /nfs/dbraw/zinc/33/63/71/792336371.db2.gz MXSFWPMEGAQOMF-MNOVXSKESA-N -1 1 347.444 2.212 20 0 EEADMM Cc1cc(C)n(CCNC(=O)c2ccc(-n3[n-]c(C)cc3=O)cc2)n1 ZINC001148326906 792338282 /nfs/dbraw/zinc/33/82/82/792338282.db2.gz YLNYIJKYMJQKJC-UHFFFAOYSA-N -1 1 339.399 2.043 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H](C)c3cnn(C)c3)cc2)[n-]1 ZINC001148336090 792345739 /nfs/dbraw/zinc/34/57/39/792345739.db2.gz LWGSAGNHDJVNEE-GFCCVEGCSA-N -1 1 325.372 2.024 20 0 EEADMM Cc1ccsc1C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1 ZINC000992050723 792475894 /nfs/dbraw/zinc/47/58/94/792475894.db2.gz ZFLYGSLZCKQEFG-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM CCCc1occc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077490398 792713355 /nfs/dbraw/zinc/71/33/55/792713355.db2.gz DUBJXPYNYBICJJ-LBPRGKRZSA-N -1 1 345.399 2.271 20 0 EEADMM O=C(Nc1cnc(C2CC2)s1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148917836 792783988 /nfs/dbraw/zinc/78/39/88/792783988.db2.gz ZRHHRFDIJXOERW-UHFFFAOYSA-N -1 1 340.382 2.225 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(Cc2ccc(F)cc2)CC1 ZINC000913744249 794210005 /nfs/dbraw/zinc/21/00/05/794210005.db2.gz GPVLCLUVLBULML-UHFFFAOYSA-N -1 1 329.379 2.068 20 0 EEADMM O=C(c1ccc(Cl)c2ncccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913744767 794210417 /nfs/dbraw/zinc/21/04/17/794210417.db2.gz CRUHGJHDMZEPCE-UHFFFAOYSA-N -1 1 342.790 2.421 20 0 EEADMM O=C(CCCc1c(F)cccc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913745372 794212679 /nfs/dbraw/zinc/21/26/79/794212679.db2.gz AGVHFTXFGFNWGX-UHFFFAOYSA-N -1 1 335.358 2.207 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)cc1F ZINC000913898837 794501799 /nfs/dbraw/zinc/50/17/99/794501799.db2.gz UCUXNXCUTBTXSI-LURJTMIESA-N -1 1 346.182 2.446 20 0 EEADMM Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC001079579366 794958078 /nfs/dbraw/zinc/95/80/78/794958078.db2.gz FCAXRESIZBVBOZ-NOZJJQNGSA-N -1 1 334.445 2.044 20 0 EEADMM C[C@@H](CCNC(=O)[C@H]1CCCC1(C)C)NC(=O)c1ncccc1[O-] ZINC001077881818 795214694 /nfs/dbraw/zinc/21/46/94/795214694.db2.gz JJOBJYGJXSCNOB-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1ncc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)s1 ZINC000993235859 796155024 /nfs/dbraw/zinc/15/50/24/796155024.db2.gz AHGMWZTXTGTFJV-BXUZGUMPSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1cncc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)c1 ZINC000993248145 796168438 /nfs/dbraw/zinc/16/84/38/796168438.db2.gz LKFMNQNGOMDINM-GDBMZVCRSA-N -1 1 340.427 2.274 20 0 EEADMM Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@H]1C ZINC000993248441 796168733 /nfs/dbraw/zinc/16/87/33/796168733.db2.gz MKCDONQWMYOBOU-ZBFHGGJFSA-N -1 1 340.427 2.274 20 0 EEADMM CCN(CCNc1ncnc2ccccc21)C(=O)c1ncccc1[O-] ZINC001106727243 796296823 /nfs/dbraw/zinc/29/68/23/796296823.db2.gz KUSKGLMIVQBMGA-UHFFFAOYSA-N -1 1 337.383 2.305 20 0 EEADMM CCN(CCNc1nc(C)nc(C)c1C)C(=O)c1ncccc1[O-] ZINC001106727241 796297098 /nfs/dbraw/zinc/29/70/98/796297098.db2.gz KSXZJDYGEFWIRQ-UHFFFAOYSA-N -1 1 329.404 2.077 20 0 EEADMM CN(CCCF)C(=O)c1cc(I)ccc1[O-] ZINC000716735701 796449071 /nfs/dbraw/zinc/44/90/71/796449071.db2.gz OXNIMIIYOALSBN-UHFFFAOYSA-N -1 1 337.132 2.428 20 0 EEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2N)cc1F ZINC001212708720 797265380 /nfs/dbraw/zinc/26/53/80/797265380.db2.gz PODUGTJTZXWJRH-UHFFFAOYSA-N -1 1 341.339 2.306 20 0 EEADMM C[C@@H](CCNC(=O)C(C)(C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001077544307 797510223 /nfs/dbraw/zinc/51/02/23/797510223.db2.gz HLYPSZAPJSYMCX-LBPRGKRZSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@]1(C(=O)Nc2ccc(Br)c([O-])c2)CCNC1=O ZINC001119026289 797700248 /nfs/dbraw/zinc/70/02/48/797700248.db2.gz RBXGBILAAHMFBN-CYBMUJFWSA-N -1 1 327.178 2.010 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)o1 ZINC000032981376 797750484 /nfs/dbraw/zinc/75/04/84/797750484.db2.gz DOMZTXASIDMQLH-UHFFFAOYSA-N -1 1 349.412 2.040 20 0 EEADMM Cc1cc(N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001061074619 797925222 /nfs/dbraw/zinc/92/52/22/797925222.db2.gz HQSUPPAXFXUEAP-UONOGXRCSA-N -1 1 341.415 2.347 20 0 EEADMM COc1cc(F)c([N-]S(=O)(=O)c2cc(N)ccc2OC)cc1F ZINC001174927886 797933445 /nfs/dbraw/zinc/93/34/45/797933445.db2.gz SOPODPHLRNYARF-UHFFFAOYSA-N -1 1 344.339 2.365 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cn2)CC1 ZINC001175155110 798000845 /nfs/dbraw/zinc/00/08/45/798000845.db2.gz KOIGPOAZEASWNG-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM CC(C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-])=C1CCC1 ZINC001002485526 798141851 /nfs/dbraw/zinc/14/18/51/798141851.db2.gz KLHVDDHMSMJRSV-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CC(=O)OCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1N ZINC001212771788 798266856 /nfs/dbraw/zinc/26/68/56/798266856.db2.gz BRVNJVRUFWKRME-UHFFFAOYSA-N -1 1 334.397 2.441 20 0 EEADMM O=C([N-]Cc1cnn(CC(F)(F)F)c1)C(F)(F)c1ccccn1 ZINC001177305391 798835670 /nfs/dbraw/zinc/83/56/70/798835670.db2.gz VQLFSJDERJPKMV-UHFFFAOYSA-N -1 1 334.248 2.249 20 0 EEADMM CC(C)=C(F)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066055106 799940976 /nfs/dbraw/zinc/94/09/76/799940976.db2.gz MSTAOYUQMUXMPV-GFCCVEGCSA-N -1 1 335.379 2.162 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001066079196 799975821 /nfs/dbraw/zinc/97/58/21/799975821.db2.gz WAJFHPBNPWZUIU-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(C=Cc1cc(F)c(F)cc1F)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001179885907 800160383 /nfs/dbraw/zinc/16/03/83/800160383.db2.gz QDRBOXSLJOJXDL-OWOJBTEDSA-N -1 1 335.245 2.128 20 0 EEADMM CSc1nc(NC(=O)CCn2ncc3ccccc32)cc(=O)[n-]1 ZINC001180056082 800246670 /nfs/dbraw/zinc/24/66/70/800246670.db2.gz LWRGAGAHBDSCRE-UHFFFAOYSA-N -1 1 329.385 2.283 20 0 EEADMM CC(C)c1occc1C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085437224 800504607 /nfs/dbraw/zinc/50/46/07/800504607.db2.gz XCOFCWNWZIWZDA-CHWSQXEVSA-N -1 1 347.419 2.058 20 0 EEADMM CN(C[C@@H]1CCN1Cc1cccc(Cl)n1)C(=O)c1ncccc1[O-] ZINC001085562131 800787827 /nfs/dbraw/zinc/78/78/27/800787827.db2.gz DROXFRICJIOVTL-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](CCCc3ccsc3)C2)c1[O-] ZINC001033017797 800804603 /nfs/dbraw/zinc/80/46/03/800804603.db2.gz XDGYJQOAYMARNI-AWEZNQCLSA-N -1 1 348.472 2.264 20 0 EEADMM Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC001033025136 800910051 /nfs/dbraw/zinc/91/00/51/800910051.db2.gz JLWKCMBUUMQBIO-INIZCTEOSA-N -1 1 325.412 2.442 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 ZINC001033025843 800922167 /nfs/dbraw/zinc/92/21/67/800922167.db2.gz PUWCPGLNQAEQPQ-OAHLLOKOSA-N -1 1 347.365 2.412 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(Cc2cc(F)ccc2F)C1 ZINC001033026323 800942665 /nfs/dbraw/zinc/94/26/65/800942665.db2.gz VTMVOFLJYRHEPX-AWEZNQCLSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1ccnc(NCCCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001090080257 801231620 /nfs/dbraw/zinc/23/16/20/801231620.db2.gz UVCCPMIENXOSQD-LBPRGKRZSA-N -1 1 329.404 2.286 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2cc3cccnc3cc2F)n1 ZINC001183845724 801768849 /nfs/dbraw/zinc/76/88/49/801768849.db2.gz NQUVGLFNHVHBAK-UHFFFAOYSA-N -1 1 342.330 2.455 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1CCCC[C@@H]1CO ZINC001184155755 801897422 /nfs/dbraw/zinc/89/74/22/801897422.db2.gz XSBNHRGPJANZQR-BDAKNGLRSA-N -1 1 329.194 2.287 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2C(=O)OC3)cc1C(=O)[O-] ZINC001184703401 802138637 /nfs/dbraw/zinc/13/86/37/802138637.db2.gz LKWAOKBDHOPATG-UHFFFAOYSA-N -1 1 347.348 2.164 20 0 EEADMM CC(C)(CC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000946657474 802678168 /nfs/dbraw/zinc/67/81/68/802678168.db2.gz LSSNWNILUPDKMH-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM 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ZINC000740203586 578085544 /nfs/dbraw/zinc/08/55/44/578085544.db2.gz SOHRDZVOFQVDPH-UHFFFAOYSA-N -1 1 339.399 2.301 20 0 EEADMM O=C([O-])c1coc(CN2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000740268204 578088287 /nfs/dbraw/zinc/08/82/87/578088287.db2.gz DOHKCNSRUYNOAP-LBPRGKRZSA-N -1 1 329.356 2.224 20 0 EEADMM Brc1ccc2c(c1)CCN2c1nccnc1-c1nnn[n-]1 ZINC000735367932 578149739 /nfs/dbraw/zinc/14/97/39/578149739.db2.gz BHFLDLRCVBRXFW-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM Brc1ccc2c(c1)CCN2c1nccnc1-c1nn[n-]n1 ZINC000735367932 578149741 /nfs/dbraw/zinc/14/97/41/578149741.db2.gz BHFLDLRCVBRXFW-UHFFFAOYSA-N -1 1 344.176 2.113 20 0 EEADMM C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCCC(C)(C)C1 ZINC000735563919 578160586 /nfs/dbraw/zinc/16/05/86/578160586.db2.gz VJHIIISTPPHHPF-LBPRGKRZSA-N -1 1 328.420 2.316 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735628449 578161585 /nfs/dbraw/zinc/16/15/85/578161585.db2.gz UOBZKKNOMSLSJM-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735628449 578161586 /nfs/dbraw/zinc/16/15/86/578161586.db2.gz UOBZKKNOMSLSJM-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(CNc1cccc(-c2nnn[n-]2)n1)c1ccc2c(c1)OCO2 ZINC000735671076 578163093 /nfs/dbraw/zinc/16/30/93/578163093.db2.gz LGZVVHILWPUGFY-UHFFFAOYSA-N -1 1 338.371 2.380 20 0 EEADMM CC(C)(CNc1cccc(-c2nn[n-]n2)n1)c1ccc2c(c1)OCO2 ZINC000735671076 578163094 /nfs/dbraw/zinc/16/30/94/578163094.db2.gz LGZVVHILWPUGFY-UHFFFAOYSA-N -1 1 338.371 2.380 20 0 EEADMM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736267914 578191352 /nfs/dbraw/zinc/19/13/52/578191352.db2.gz VAQPFJYQKCCATD-SECBINFHSA-N -1 1 341.824 2.083 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736303467 578194396 /nfs/dbraw/zinc/19/43/96/578194396.db2.gz JLYXZWKRAJERFF-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736303467 578194397 /nfs/dbraw/zinc/19/43/97/578194397.db2.gz JLYXZWKRAJERFF-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C)cs1 ZINC000736316343 578195304 /nfs/dbraw/zinc/19/53/04/578195304.db2.gz WFAQFECPZZWCKG-OAHLLOKOSA-N -1 1 343.416 2.082 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C)cs1 ZINC000736316343 578195305 /nfs/dbraw/zinc/19/53/05/578195305.db2.gz WFAQFECPZZWCKG-OAHLLOKOSA-N -1 1 343.416 2.082 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000736327074 578196197 /nfs/dbraw/zinc/19/61/97/578196197.db2.gz ATNDPYBSNUGYCS-LBPRGKRZSA-N -1 1 339.461 2.123 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000736328154 578196246 /nfs/dbraw/zinc/19/62/46/578196246.db2.gz MIKGXXIWSOSBRB-NSHDSACASA-N -1 1 325.434 2.047 20 0 EEADMM CCC(CC)[C@@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736338634 578196889 /nfs/dbraw/zinc/19/68/89/578196889.db2.gz ZESLBAHEEWFSMO-ZDUSSCGKSA-N -1 1 327.392 2.019 20 0 EEADMM CCC(CC)[C@@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736338634 578196890 /nfs/dbraw/zinc/19/68/90/578196890.db2.gz ZESLBAHEEWFSMO-ZDUSSCGKSA-N -1 1 327.392 2.019 20 0 EEADMM CCCCOc1ncccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000736463082 578205820 /nfs/dbraw/zinc/20/58/20/578205820.db2.gz MODRNUVYEIKDPC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCCCOc1ncccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000736463082 578205821 /nfs/dbraw/zinc/20/58/21/578205821.db2.gz MODRNUVYEIKDPC-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM C[C@@H](CN(CN1C(=O)OC[C@@H]1Cc1ccccc1)C1CC1)C(=O)[O-] ZINC000736578179 578212604 /nfs/dbraw/zinc/21/26/04/578212604.db2.gz ISFNDAKPMWTLOB-BBRMVZONSA-N -1 1 332.400 2.193 20 0 EEADMM C[C@@H](CN(CN1C[C@@H](c2cccc(F)c2)CC1=O)C1CC1)C(=O)[O-] ZINC000736583106 578213039 /nfs/dbraw/zinc/21/30/39/578213039.db2.gz KJNFWYODDQBLRO-JSGCOSHPSA-N -1 1 334.391 2.284 20 0 EEADMM CCOC(=O)C[C@H](C)Sc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736593819 578213574 /nfs/dbraw/zinc/21/35/74/578213574.db2.gz KLKOODNJXILIKI-VIFPVBQESA-N -1 1 344.400 2.244 20 0 EEADMM CCC[C@@](C)(NCC(=O)N(C)Cc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000736961506 578231285 /nfs/dbraw/zinc/23/12/85/578231285.db2.gz UBMBXGUBCHHWAI-QGZVFWFLSA-N -1 1 340.395 2.026 20 0 EEADMM CCC[C@@](C)(NCC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000736961379 578231322 /nfs/dbraw/zinc/23/13/22/578231322.db2.gz ATIHWDDNUFUICA-MRXNPFEDSA-N -1 1 326.824 2.232 20 0 EEADMM CCN(CC)[C@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)c1ccco1 ZINC000737085261 578237253 /nfs/dbraw/zinc/23/72/53/578237253.db2.gz ITJBPXNRYIHOBF-OCCSQVGLSA-N -1 1 325.409 2.071 20 0 EEADMM CCOC(=O)CCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000737136305 578240164 /nfs/dbraw/zinc/24/01/64/578240164.db2.gz HYUZDFUTDAUTCR-CQSZACIVSA-N -1 1 334.416 2.239 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1O ZINC000737265785 578247008 /nfs/dbraw/zinc/24/70/08/578247008.db2.gz ZDCOGZSZWQZWKX-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1cc(Cl)cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1O ZINC000737265785 578247009 /nfs/dbraw/zinc/24/70/09/578247009.db2.gz ZDCOGZSZWQZWKX-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737335120 578251081 /nfs/dbraw/zinc/25/10/81/578251081.db2.gz QGMGEQIYCDSMRF-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737335120 578251082 /nfs/dbraw/zinc/25/10/82/578251082.db2.gz QGMGEQIYCDSMRF-INIZCTEOSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccnc12 ZINC000737359923 578252558 /nfs/dbraw/zinc/25/25/58/578252558.db2.gz ILVLXRFGQLHSGX-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccnc12 ZINC000737359923 578252559 /nfs/dbraw/zinc/25/25/59/578252559.db2.gz ILVLXRFGQLHSGX-UHFFFAOYSA-N -1 1 331.339 2.371 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC1CC1 ZINC000822540742 599190596 /nfs/dbraw/zinc/19/05/96/599190596.db2.gz FSAACRILFYLSQD-UHFFFAOYSA-N -1 1 326.360 2.089 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC1CC1 ZINC000822540742 599190599 /nfs/dbraw/zinc/19/05/99/599190599.db2.gz FSAACRILFYLSQD-UHFFFAOYSA-N -1 1 326.360 2.089 20 0 EEADMM COc1ccccc1-c1ccc([C@@H](C)NCC(=O)NCC(=O)[O-])cc1 ZINC000820870999 597809404 /nfs/dbraw/zinc/80/94/04/597809404.db2.gz KLSNEOVILRPIIO-CYBMUJFWSA-N -1 1 342.395 2.214 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CCC(C)(C)C2)c1 ZINC000831364179 601039087 /nfs/dbraw/zinc/03/90/87/601039087.db2.gz IOUBFPGUJFPCDL-NSHDSACASA-N -1 1 348.399 2.230 20 0 EEADMM Cc1cccc(C)c1OCCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832965264 601090335 /nfs/dbraw/zinc/09/03/35/601090335.db2.gz HJVPUDPUQJWCPS-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM C/C(=C/C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1cccc(F)c1 ZINC000825716848 601097093 /nfs/dbraw/zinc/09/70/93/601097093.db2.gz PHIOOKQBZCTDBF-ZVHGMHCTSA-N -1 1 334.391 2.236 20 0 EEADMM CN(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000830585226 601108560 /nfs/dbraw/zinc/10/85/60/601108560.db2.gz TUWYMEGBIXCTEA-HNNXBMFYSA-N -1 1 347.802 2.466 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/nfs/dbraw/zinc/83/46/32/601834632.db2.gz DEEDIMDRBIQFLM-NSHDSACASA-N -1 1 336.417 2.090 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000828024291 601937607 /nfs/dbraw/zinc/93/76/07/601937607.db2.gz MJYANENHXSVURQ-HNNXBMFYSA-N -1 1 328.315 2.023 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)C2CC2)cc1 ZINC000832244326 602228995 /nfs/dbraw/zinc/22/89/95/602228995.db2.gz CMKBRAMZWSEKBR-IAGOWNOFSA-N -1 1 348.443 2.351 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000826538471 602258483 /nfs/dbraw/zinc/25/84/83/602258483.db2.gz SXRFLQIKTSFFOT-UHFFFAOYSA-N -1 1 347.440 2.416 20 0 EEADMM C[C@@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C[C@@H]1n1ccnc1 ZINC000828296426 602304850 /nfs/dbraw/zinc/30/48/50/602304850.db2.gz YEDFFZVJEXLCRX-CJNGLKHVSA-N -1 1 339.399 2.472 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CN2CCC(C)CC2)cc1 ZINC000832230460 602309592 /nfs/dbraw/zinc/30/95/92/602309592.db2.gz BOCPTOJORPKPMA-MRXNPFEDSA-N -1 1 334.416 2.059 20 0 EEADMM Cn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833049752 602377880 /nfs/dbraw/zinc/37/78/80/602377880.db2.gz GDQUSCOAWNXTTM-AWEZNQCLSA-N -1 1 342.399 2.119 20 0 EEADMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(O)c1 ZINC000824347509 607601415 /nfs/dbraw/zinc/60/14/15/607601415.db2.gz BQDKGFIOLCSJGH-UHFFFAOYSA-N -1 1 339.355 2.448 20 0 EEADMM CC(C)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(O)c1 ZINC000824347509 607601416 /nfs/dbraw/zinc/60/14/16/607601416.db2.gz BQDKGFIOLCSJGH-UHFFFAOYSA-N -1 1 339.355 2.448 20 0 EEADMM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000831592093 603802173 /nfs/dbraw/zinc/80/21/73/603802173.db2.gz OEKUECPHRYEBJQ-MRXNPFEDSA-N -1 1 340.383 2.119 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000832846857 604267969 /nfs/dbraw/zinc/26/79/69/604267969.db2.gz VXPPZOBIYNMTNB-ZDUSSCGKSA-N -1 1 345.399 2.490 20 0 EEADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000827007332 604435557 /nfs/dbraw/zinc/43/55/57/604435557.db2.gz YMBLVRPRUXVMGP-LBPRGKRZSA-N -1 1 337.401 2.088 20 0 EEADMM Cc1cc(C)c(NC(=O)CCCN2CCO[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000818801294 604466948 /nfs/dbraw/zinc/46/69/48/604466948.db2.gz OXDCPGHCQVQHBF-OAHLLOKOSA-N -1 1 334.416 2.116 20 0 EEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1F ZINC000830619281 604520334 /nfs/dbraw/zinc/52/03/34/604520334.db2.gz ATIKPVUTFVQPRM-CQSZACIVSA-N -1 1 337.395 2.036 20 0 EEADMM CN(C)Cc1cc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])ccc1F ZINC000830619279 604520484 /nfs/dbraw/zinc/52/04/84/604520484.db2.gz ATIKPVUTFVQPRM-AWEZNQCLSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2C(C)(C)C1 ZINC000833404946 604776789 /nfs/dbraw/zinc/77/67/89/604776789.db2.gz WOCNOAIFLPDSTJ-CQSZACIVSA-N -1 1 344.455 2.492 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000832990152 604783396 /nfs/dbraw/zinc/78/33/96/604783396.db2.gz OAWXAUSIOABLOJ-UHFFFAOYSA-N -1 1 344.415 2.332 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n[nH]1 ZINC000833672775 605019987 /nfs/dbraw/zinc/01/99/87/605019987.db2.gz DDVWYTMUGCOQQN-SECBINFHSA-N -1 1 332.364 2.364 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccccc1 ZINC000833623572 605044147 /nfs/dbraw/zinc/04/41/47/605044147.db2.gz ILZFWDRHXZIHKA-HNNXBMFYSA-N -1 1 347.459 2.155 20 0 EEADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCN1C(=O)c2ccccc2C1=O ZINC000833547821 605049363 /nfs/dbraw/zinc/04/93/63/605049363.db2.gz XQEWBKXUDPRGHH-LLVKDONJSA-N -1 1 342.351 2.267 20 0 EEADMM O=C([O-])c1occc1CNCc1ccnc(OC2CCOCC2)c1 ZINC000833785430 605094948 /nfs/dbraw/zinc/09/49/48/605094948.db2.gz VHZLTGWGGYFKDH-UHFFFAOYSA-N -1 1 332.356 2.220 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1F ZINC000833514221 605110337 /nfs/dbraw/zinc/11/03/37/605110337.db2.gz QDNJFYFRFWGSDY-KBPBESRZSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000833618296 605113931 /nfs/dbraw/zinc/11/39/31/605113931.db2.gz AFEOXAILPRCVMT-LVDDQXARSA-N -1 1 336.819 2.361 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1ccc(F)cc1 ZINC000833623142 605164973 /nfs/dbraw/zinc/16/49/73/605164973.db2.gz QTWQBUXXBJPJLA-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM CCCn1c(C)cc(C(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c1C ZINC000833652276 605200188 /nfs/dbraw/zinc/20/01/88/605200188.db2.gz IJHHAIVEUBGXAF-OAHLLOKOSA-N -1 1 349.475 2.178 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@H](C)[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000833715136 605213290 /nfs/dbraw/zinc/21/32/90/605213290.db2.gz PCLXQRCNXGHROF-NWDGAFQWSA-N -1 1 348.399 2.088 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(-n3cccc3)c2)CCN1CCC(=O)[O-] ZINC000833624069 605250521 /nfs/dbraw/zinc/25/05/21/605250521.db2.gz SYDYTPVCYSIEQV-HNNXBMFYSA-N -1 1 341.411 2.098 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC000833514339 605253364 /nfs/dbraw/zinc/25/33/64/605253364.db2.gz RCJZPWJFDVEMKW-UONOGXRCSA-N -1 1 336.407 2.327 20 0 EEADMM O=C([O-])NCCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000833777061 605374738 /nfs/dbraw/zinc/37/47/38/605374738.db2.gz DRPZFUCQAYVPPO-ZDUSSCGKSA-N -1 1 349.435 2.216 20 0 EEADMM C/C(=C/c1ccc(C)cc1)C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000833386060 605456294 /nfs/dbraw/zinc/45/62/94/605456294.db2.gz WJWQUBLMINQSJN-RTYFKUQISA-N -1 1 330.428 2.406 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833638040 605699678 /nfs/dbraw/zinc/69/96/78/605699678.db2.gz HLWMEFUJEKPXKI-DAYGRLMNSA-N -1 1 348.443 2.003 20 0 EEADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2cc(Cl)ccc21 ZINC000823541254 606394778 /nfs/dbraw/zinc/39/47/78/606394778.db2.gz NFAVVTPNHMXBIH-LLVKDONJSA-N -1 1 332.776 2.436 20 0 EEADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820045944 606447895 /nfs/dbraw/zinc/44/78/95/606447895.db2.gz OVLLGSAAGOJJSX-ZWNOBZJWSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820045944 606447897 /nfs/dbraw/zinc/44/78/97/606447897.db2.gz OVLLGSAAGOJJSX-ZWNOBZJWSA-N -1 1 335.433 2.109 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(Cc1ccccn1)C1CC1 ZINC000823484109 606499763 /nfs/dbraw/zinc/49/97/63/606499763.db2.gz RUAFLYWFXXMWPF-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(Cc1ccccn1)C1CC1 ZINC000823484109 606499765 /nfs/dbraw/zinc/49/97/65/606499765.db2.gz RUAFLYWFXXMWPF-UHFFFAOYSA-N -1 1 326.385 2.128 20 0 EEADMM C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820291924 606530910 /nfs/dbraw/zinc/53/09/10/606530910.db2.gz ADYPQBIGGHOGSO-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820291924 606530912 /nfs/dbraw/zinc/53/09/12/606530912.db2.gz ADYPQBIGGHOGSO-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccc(F)cc2O1 ZINC000820743471 606572241 /nfs/dbraw/zinc/57/22/41/606572241.db2.gz UPTOYCIZLJFNTQ-QMMMGPOBSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccc(F)cc2O1 ZINC000820743471 606572243 /nfs/dbraw/zinc/57/22/43/606572243.db2.gz UPTOYCIZLJFNTQ-QMMMGPOBSA-N -1 1 345.359 2.495 20 0 EEADMM O=C(NCc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000823265915 606583443 /nfs/dbraw/zinc/58/34/43/606583443.db2.gz IWJOCFCTTFRZIQ-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccnc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000823265915 606583445 /nfs/dbraw/zinc/58/34/45/606583445.db2.gz IWJOCFCTTFRZIQ-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2ccccc2F)CC1 ZINC000823431650 606649609 /nfs/dbraw/zinc/64/96/09/606649609.db2.gz URQDJOHTUPYRNN-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2ccccc2F)CC1 ZINC000823431650 606649610 /nfs/dbraw/zinc/64/96/10/606649610.db2.gz URQDJOHTUPYRNN-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)cc1 ZINC000823436413 606651508 /nfs/dbraw/zinc/65/15/08/606651508.db2.gz UUVWINQEMNFXEA-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)cc1 ZINC000823436413 606651509 /nfs/dbraw/zinc/65/15/09/606651509.db2.gz UUVWINQEMNFXEA-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000826418496 607864834 /nfs/dbraw/zinc/86/48/34/607864834.db2.gz JPDHVSRUDBPRKG-UHFFFAOYSA-N -1 1 331.282 2.162 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000826418496 607864835 /nfs/dbraw/zinc/86/48/35/607864835.db2.gz JPDHVSRUDBPRKG-UHFFFAOYSA-N -1 1 331.282 2.162 20 0 EEADMM Fc1cccc(Oc2ncc(Br)cn2)c1-c1nnn[n-]1 ZINC000826377668 607867076 /nfs/dbraw/zinc/86/70/76/607867076.db2.gz AHHYWWUDBXPFSW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cccc(Oc2ncc(Br)cn2)c1-c1nn[n-]n1 ZINC000826377668 607867077 /nfs/dbraw/zinc/86/70/77/607867077.db2.gz AHHYWWUDBXPFSW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM COCCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000826162749 607897338 /nfs/dbraw/zinc/89/73/38/607897338.db2.gz QRNXXXXZRMOKEU-UHFFFAOYSA-N -1 1 330.323 2.170 20 0 EEADMM COCCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC000826162749 607897339 /nfs/dbraw/zinc/89/73/39/607897339.db2.gz QRNXXXXZRMOKEU-UHFFFAOYSA-N -1 1 330.323 2.170 20 0 EEADMM c1coc(CN(C[C@@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826513972 607902279 /nfs/dbraw/zinc/90/22/79/607902279.db2.gz CJNXARVMOAOZDR-ZDUSSCGKSA-N -1 1 326.360 2.040 20 0 EEADMM c1coc(CN(C[C@@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826513972 607902280 /nfs/dbraw/zinc/90/22/80/607902280.db2.gz CJNXARVMOAOZDR-ZDUSSCGKSA-N -1 1 326.360 2.040 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(CC)CC ZINC000825582557 607991245 /nfs/dbraw/zinc/99/12/45/607991245.db2.gz LEGIRESPLCIQCI-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(CC)CC ZINC000825582557 607991246 /nfs/dbraw/zinc/99/12/46/607991246.db2.gz LEGIRESPLCIQCI-QWHCGFSZSA-N -1 1 331.424 2.077 20 0 EEADMM Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1C(C)(C)C ZINC000826234606 607997013 /nfs/dbraw/zinc/99/70/13/607997013.db2.gz FOJLBMHGGGKLAU-UHFFFAOYSA-N -1 1 341.375 2.085 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cncn1-c1ccccc1 ZINC000826451075 607998990 /nfs/dbraw/zinc/99/89/90/607998990.db2.gz PEIUETLLGWVOBP-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM Cn1c2ccc(Nc3nccnc3-c3nnn[n-]3)cc2nc1C1CC1 ZINC000826355385 608018607 /nfs/dbraw/zinc/01/86/07/608018607.db2.gz XGIBVXUBEXGNJY-UHFFFAOYSA-N -1 1 333.359 2.164 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCCSCc1ccccc1 ZINC000826501309 608056124 /nfs/dbraw/zinc/05/61/24/608056124.db2.gz KCYCXZGFBOTYMJ-UHFFFAOYSA-N -1 1 327.413 2.352 20 0 EEADMM Clc1nsc(NCc2ccn3ccnc3c2)c1-c1nnn[n-]1 ZINC000826354832 608191107 /nfs/dbraw/zinc/19/11/07/608191107.db2.gz XBSLBSAEXBAJMB-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Clc1nsc(NCc2ccn3ccnc3c2)c1-c1nn[n-]n1 ZINC000826354832 608191108 /nfs/dbraw/zinc/19/11/08/608191108.db2.gz XBSLBSAEXBAJMB-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Fc1ccc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCC2)cc1 ZINC000826374306 608408444 /nfs/dbraw/zinc/40/84/44/608408444.db2.gz UEKIXQZZUZCUCJ-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1ccc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCC2)cc1 ZINC000826374306 608408446 /nfs/dbraw/zinc/40/84/46/608408446.db2.gz UEKIXQZZUZCUCJ-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC000826518970 608428180 /nfs/dbraw/zinc/42/81/80/608428180.db2.gz FEBLAGDLXANPKD-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC000826518970 608428182 /nfs/dbraw/zinc/42/81/82/608428182.db2.gz FEBLAGDLXANPKD-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM Cc1nn(-c2ccccc2)c(Cl)c1Cn1ccnc1-c1nnn[n-]1 ZINC000826332823 608892452 /nfs/dbraw/zinc/89/24/52/608892452.db2.gz JDJVDSBHLPTCSK-UHFFFAOYSA-N -1 1 340.778 2.259 20 0 EEADMM Cc1nn(-c2ccccc2)c(Cl)c1Cn1ccnc1-c1nn[n-]n1 ZINC000826332823 608892454 /nfs/dbraw/zinc/89/24/54/608892454.db2.gz JDJVDSBHLPTCSK-UHFFFAOYSA-N -1 1 340.778 2.259 20 0 EEADMM Brc1ccccc1CCCn1ccnc1-c1nn[n-]n1 ZINC000823832308 609489582 /nfs/dbraw/zinc/48/95/82/609489582.db2.gz LPZRWGDJNWRFHR-UHFFFAOYSA-N -1 1 333.193 2.459 20 0 EEADMM Brc1ccccc1CCCn1ccnc1-c1nnn[n-]1 ZINC000823832308 609489580 /nfs/dbraw/zinc/48/95/80/609489580.db2.gz LPZRWGDJNWRFHR-UHFFFAOYSA-N -1 1 333.193 2.459 20 0 EEADMM C[C@@H]1CN(C(=O)C2CCCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020660618 675363865 /nfs/dbraw/zinc/36/38/65/675363865.db2.gz ZNXMWOILMSPUFJ-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H]1CN(C(=O)C2=CCCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020733411 675459945 /nfs/dbraw/zinc/45/99/45/675459945.db2.gz YORBAUPADZANJP-ZFWWWQNUSA-N -1 1 343.427 2.112 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020795894 675501677 /nfs/dbraw/zinc/50/16/77/675501677.db2.gz IFMOBYDGVKFPKH-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1nc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccccc3O)C2)o1 ZINC000971108235 676378287 /nfs/dbraw/zinc/37/82/87/676378287.db2.gz JKTGGQWZJAOXOE-CQSZACIVSA-N -1 1 329.400 2.344 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC000971145359 676410462 /nfs/dbraw/zinc/41/04/62/676410462.db2.gz DHIZSEGRTOCGDO-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM CN(Cc1c(F)cccc1F)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393810 676520243 /nfs/dbraw/zinc/52/02/43/676520243.db2.gz KLGLWOCEYIPHKG-LBPRGKRZSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000074984547 676716323 /nfs/dbraw/zinc/71/63/23/676716323.db2.gz UDCQBCQCVUPRIB-UHFFFAOYSA-N -1 1 332.381 2.151 20 0 EEADMM COCc1nc(NC[C@@H]2CCN(c3ccccc3OC)C2)cc(=O)[n-]1 ZINC000892195138 678238882 /nfs/dbraw/zinc/23/88/82/678238882.db2.gz NOPLSUSJEBVOSL-ZDUSSCGKSA-N -1 1 344.415 2.276 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000327040018 678639476 /nfs/dbraw/zinc/63/94/76/678639476.db2.gz URABGCFIWWEXDE-UHFFFAOYSA-N -1 1 339.399 2.463 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)CC ZINC000052171088 678888149 /nfs/dbraw/zinc/88/81/49/678888149.db2.gz SHCGKXWLHJPQNY-LLVKDONJSA-N -1 1 327.402 2.363 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCc2ccccc2OCC(C)C)n1 ZINC000052560669 679242168 /nfs/dbraw/zinc/24/21/68/679242168.db2.gz WEUOPQKJOFYVNO-UHFFFAOYSA-N -1 1 345.403 2.346 20 0 EEADMM Cc1nc(CN2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)cs1 ZINC001023328865 679255715 /nfs/dbraw/zinc/25/57/15/679255715.db2.gz VEGGJMKSPZPQHD-CYBMUJFWSA-N -1 1 346.456 2.194 20 0 EEADMM Cc1ncc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])s1 ZINC001024408062 679891830 /nfs/dbraw/zinc/89/18/30/679891830.db2.gz WHHLZRSCMFKCOB-ZDUSSCGKSA-N -1 1 346.456 2.337 20 0 EEADMM COCc1nc(N(C)CCCN(C)C(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000894206314 681231874 /nfs/dbraw/zinc/23/18/74/681231874.db2.gz MDTMWIBSEFVKMT-UHFFFAOYSA-N -1 1 340.424 2.022 20 0 EEADMM Cc1ccc2cccc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)c2n1 ZINC000909540990 685420311 /nfs/dbraw/zinc/42/03/11/685420311.db2.gz HRTMDXYQURUCHL-AWEZNQCLSA-N -1 1 327.384 2.278 20 0 EEADMM CN(C(=O)C[C@@H]1C=CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216797 681699791 /nfs/dbraw/zinc/69/97/91/681699791.db2.gz MMDJTVRGNOAEPF-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM CC(C)n1c(CNC(=O)COCCc2ccccc2)n[n-]c1=S ZINC000066639033 681783072 /nfs/dbraw/zinc/78/30/72/681783072.db2.gz FEEFRTYIGGFFHP-UHFFFAOYSA-N -1 1 334.445 2.397 20 0 EEADMM O=C(CCC1CCCCC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025152255 682117873 /nfs/dbraw/zinc/11/78/73/682117873.db2.gz DWEKDMRWUWUJST-OAHLLOKOSA-N -1 1 349.479 2.342 20 0 EEADMM O=C(CC1CCC1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973593838 682803083 /nfs/dbraw/zinc/80/30/83/682803083.db2.gz AUUVMNPFTDIEAD-GOOCMWNKSA-N -1 1 343.427 2.229 20 0 EEADMM C[C@@]1(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909407591 683182212 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CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CCCCC1 ZINC000974059065 684273116 /nfs/dbraw/zinc/27/31/16/684273116.db2.gz XXHGBOGBJJTRKS-BETUJISGSA-N -1 1 331.416 2.135 20 0 EEADMM CCN1CCC[C@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1=O ZINC000895906437 684771604 /nfs/dbraw/zinc/77/16/04/684771604.db2.gz RSMGMUFHTWLWTC-AWEZNQCLSA-N -1 1 341.415 2.284 20 0 EEADMM CNC(=O)C1CCC(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895957215 684788286 /nfs/dbraw/zinc/78/82/86/684788286.db2.gz YCZXEVMNEMXYNG-UHFFFAOYSA-N -1 1 342.395 2.286 20 0 EEADMM O=C(CCNC(=O)c1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000194575598 684950988 /nfs/dbraw/zinc/95/09/88/684950988.db2.gz SNOAMXUHLCZHEM-UHFFFAOYSA-N -1 1 325.777 2.261 20 0 EEADMM Cc1ncc(CN2C[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)s1 ZINC000974481804 684973518 /nfs/dbraw/zinc/97/35/18/684973518.db2.gz XSKAQJHRJHWLGJ-CQSZACIVSA-N -1 1 346.456 2.193 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)CC2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984733070 685077919 /nfs/dbraw/zinc/07/79/19/685077919.db2.gz 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ZINC001268843404 1183761908 /nfs/dbraw/zinc/76/19/08/1183761908.db2.gz VKSTVEKKBCMIOP-SCLBCKFNSA-N -1 1 331.416 2.183 20 0 EEADMM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)c1ncccc1[O-] ZINC001268843403 1183762071 /nfs/dbraw/zinc/76/20/71/1183762071.db2.gz VKSTVEKKBCMIOP-FZKQIMNGSA-N -1 1 331.416 2.183 20 0 EEADMM Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2C(=O)c1ccncc1[O-] ZINC001272766737 1193488301 /nfs/dbraw/zinc/48/83/01/1193488301.db2.gz UEOWIVQHJOVQTD-KBPBESRZSA-N -1 1 344.440 2.041 20 0 EEADMM C[C@@H]1C[C@H](C)N(C(=O)c2cc(C(F)(F)F)[nH]n2)[C@H](C)[C@@H]1C(=O)[O-] ZINC001649257591 1187582633 /nfs/dbraw/zinc/58/26/33/1187582633.db2.gz PYAABHCKNHUQPR-FBSDJGSXSA-N -1 1 333.310 2.388 20 0 EEADMM CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000783859814 1188263423 /nfs/dbraw/zinc/26/34/23/1188263423.db2.gz PPEZTYKGQCGWLP-AWEZNQCLSA-N -1 1 347.392 2.330 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)CCc1ccccc1 ZINC001076245195 1188807386 /nfs/dbraw/zinc/80/73/86/1188807386.db2.gz 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EEADMM CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC2CC(C)C2)C1 ZINC000957132108 1214863737 /nfs/dbraw/zinc/86/37/37/1214863737.db2.gz LBLWDQINZRHJKH-UHFFFAOYSA-N -1 1 344.415 2.121 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000963730004 1218000729 /nfs/dbraw/zinc/00/07/29/1218000729.db2.gz CNPSPOJCLQFFMQ-QLFBSQMISA-N -1 1 345.443 2.142 20 0 EEADMM CN(Cc1ccccc1CNC(=O)c1ncccc1[O-])C(=O)C1CC1 ZINC000963869507 1218092444 /nfs/dbraw/zinc/09/24/44/1218092444.db2.gz HCBCFEJVRIMNGA-UHFFFAOYSA-N -1 1 339.395 2.086 20 0 EEADMM C/C(=C/C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000964847621 1218671179 /nfs/dbraw/zinc/67/11/79/1218671179.db2.gz GUOMVIGWFGVQJX-WIDZWVOGSA-N -1 1 343.427 2.254 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)c1ncccc1[O-] ZINC000965968194 1219406232 /nfs/dbraw/zinc/40/62/32/1219406232.db2.gz VEVUHAFIMHNUJC-ZDUSSCGKSA-N -1 1 343.383 2.005 20 0 EEADMM C[C@H]1CN(C(=O)C2(C)CCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000966766840 1219997627 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345.443 2.190 20 0 EEADMM CCCc1nc(C)c(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001010729924 1223875366 /nfs/dbraw/zinc/87/53/66/1223875366.db2.gz DPJAJDQXSYNHSW-CYBMUJFWSA-N -1 1 344.415 2.040 20 0 EEADMM CCc1cc(C)nc(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001067075409 1226483933 /nfs/dbraw/zinc/48/39/33/1226483933.db2.gz FYLPRJCYCBRYPY-RISCZKNCSA-N -1 1 341.415 2.021 20 0 EEADMM Cc1nc(C)c(C)c(N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001067076772 1226547140 /nfs/dbraw/zinc/54/71/40/1226547140.db2.gz UTEVPRYEAAIGTO-HZMBPMFUSA-N -1 1 341.415 2.075 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1ccc(Cl)cc1)c1ncccc1[O-] ZINC001038193747 1229683990 /nfs/dbraw/zinc/68/39/90/1229683990.db2.gz LAKDMGGCRFDRFE-CQSZACIVSA-N -1 1 331.803 2.445 20 0 EEADMM CN(CCCN(C)C(=O)[C@@H]1CCC1(C)C)C(=O)c1ncccc1[O-] ZINC001067254627 1229774705 /nfs/dbraw/zinc/77/47/05/1229774705.db2.gz GXZPEZBMBRTHEP-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM CC1(C(=O)NC[C@H]2CC[C@H](CNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001054870919 1249267863 /nfs/dbraw/zinc/26/78/63/1249267863.db2.gz MFIMFNJBMQVNBI-HDJSIYSDSA-N -1 1 345.443 2.240 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(Cc2coc(C3CC3)n2)C1 ZINC001046259934 1234603953 /nfs/dbraw/zinc/60/39/53/1234603953.db2.gz SMVGRUXMACFMCF-GOSISDBHSA-N -1 1 342.399 2.047 20 0 EEADMM Cc1ccc2c([O-])c(C(=O)NC[C@]34C[C@H]3COC43CCC3)cnc2n1 ZINC000900827784 1234872882 /nfs/dbraw/zinc/87/28/82/1234872882.db2.gz JFGATSOASIJHOB-KPZWWZAWSA-N -1 1 339.395 2.333 20 0 EEADMM Cc1ccc2c(=O)c(C(=O)NC[C@]34C[C@H]3COC43CCC3)c[n-]c2n1 ZINC000900827784 1234872885 /nfs/dbraw/zinc/87/28/85/1234872885.db2.gz JFGATSOASIJHOB-KPZWWZAWSA-N -1 1 339.395 2.333 20 0 EEADMM COc1cccc(O[C@H](C)CNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900858975 1234918860 /nfs/dbraw/zinc/91/88/60/1234918860.db2.gz PFSCCRVOOZXQGZ-LLVKDONJSA-N -1 1 343.383 2.266 20 0 EEADMM CCCc1nsc(N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001046796952 1235196682 /nfs/dbraw/zinc/19/66/82/1235196682.db2.gz WHWRYNMRFSEFKB-XYPYZODXSA-N -1 1 347.444 2.212 20 0 EEADMM O=C(NCc1cccc2c1OCCCO2)c1cnc(C2CC2)[n-]c1=O ZINC000901140481 1235272971 /nfs/dbraw/zinc/27/29/71/1235272971.db2.gz SUKOAQNKQQNTQR-UHFFFAOYSA-N -1 1 341.367 2.151 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ccc(F)cn3)n2)cc1 ZINC000801363696 1235459136 /nfs/dbraw/zinc/45/91/36/1235459136.db2.gz DKFCXOMMLHMBFC-UHFFFAOYSA-N -1 1 343.314 2.478 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OC[C@@H]3CC[C@H](C)O3)n2)cc1 ZINC000801364683 1235460631 /nfs/dbraw/zinc/46/06/31/1235460631.db2.gz BWMBIEYRPMBSQG-FZMZJTMJSA-N -1 1 332.356 2.311 20 0 EEADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000901314008 1235528328 /nfs/dbraw/zinc/52/83/28/1235528328.db2.gz NHEGKZBSSHOYMO-GFCCVEGCSA-N -1 1 347.415 2.111 20 0 EEADMM Cc1nc2ccc(C(=O)N=c3ccnc4n(C)[n-]cc3-4)cc2nc1C ZINC000801703841 1236057286 /nfs/dbraw/zinc/05/72/86/1236057286.db2.gz SDFJAWNWRIDLEB-UHFFFAOYSA-N -1 1 332.367 2.154 20 0 EEADMM CC[C@](C)(NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(F)cc1 ZINC001413401071 1236538156 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EEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000903711924 1241676348 /nfs/dbraw/zinc/67/63/48/1241676348.db2.gz PIROJVIQEJOUEY-LBPRGKRZSA-N -1 1 340.445 2.159 20 0 EEADMM CC[C@@]1(C(C)C)C[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001541989 1242456584 /nfs/dbraw/zinc/45/65/84/1242456584.db2.gz PSVXJJAYMJQLAP-LIRRHRJNSA-N -1 1 345.443 2.048 20 0 EEADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cccc(=O)[nH]2)c1 ZINC000903945223 1242639739 /nfs/dbraw/zinc/63/97/39/1242639739.db2.gz SECYSRNKOLQPBD-INIZCTEOSA-N -1 1 332.356 2.062 20 0 EEADMM CC[C@@H](C)n1ncc(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1C ZINC001413567096 1242764506 /nfs/dbraw/zinc/76/45/06/1242764506.db2.gz IUVSWUBPLDNXHF-SNVBAGLBSA-N -1 1 332.412 2.087 20 0 EEADMM O=C(NC[C@H](Nc1cnc2ccccc2n1)C1CC1)c1ncccc1[O-] ZINC001096641024 1243031347 /nfs/dbraw/zinc/03/13/47/1243031347.db2.gz WOXLPNMRIHCGRL-HNNXBMFYSA-N -1 1 349.394 2.351 20 0 EEADMM CCc1cc(C)nc(N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001096651934 1243046273 /nfs/dbraw/zinc/04/62/73/1243046273.db2.gz QVFGLJAHSARQDE-CQSZACIVSA-N -1 1 341.415 2.069 20 0 EEADMM CCOCCS(=O)(=O)[N-]c1cccc(Br)c1F ZINC000701979749 1243182696 /nfs/dbraw/zinc/18/26/96/1243182696.db2.gz XQRRBEGBFDOYFH-UHFFFAOYSA-N -1 1 326.187 2.366 20 0 EEADMM O=C(NC[C@H]1COCCN1CCCC1CCCC1)c1ncccc1[O-] ZINC001050892831 1244564999 /nfs/dbraw/zinc/56/49/99/1244564999.db2.gz WRYLZNXEBYWRBH-INIZCTEOSA-N -1 1 347.459 2.188 20 0 EEADMM Cc1cc(N[C@H](C)CNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001097765482 1244583172 /nfs/dbraw/zinc/58/31/72/1244583172.db2.gz TXYKMSCCWIFFPM-GFCCVEGCSA-N -1 1 329.404 2.239 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)CCCC1CC1 ZINC001052421875 1247244397 /nfs/dbraw/zinc/24/43/97/1247244397.db2.gz OCXPEHYBHCUJBZ-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1n[nH]c(C(=O)NCc2ccc3c(c2)CN(CC[C@@H](C)F)C3)c1[O-] ZINC001054261879 1247924042 /nfs/dbraw/zinc/92/40/42/1247924042.db2.gz ZKFVKXQHWGASJJ-LLVKDONJSA-N -1 1 346.406 2.417 20 0 EEADMM CC(C)c1cc(NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001068476532 1251134749 /nfs/dbraw/zinc/13/47/49/1251134749.db2.gz ZQAKMMXWTZSAEW-JOCQHMNTSA-N -1 1 341.415 2.321 20 0 EEADMM Cc1nc(Cl)cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC001068823601 1251745244 /nfs/dbraw/zinc/74/52/44/1251745244.db2.gz XQDGQXNELOAZPZ-GXSJLCMTSA-N -1 1 347.806 2.254 20 0 EEADMM C[C@@H]1C[C@@H](Nc2ncnc3ccccc32)CN1C(=O)c1ncccc1[O-] ZINC001069066390 1252173068 /nfs/dbraw/zinc/17/30/68/1252173068.db2.gz WAMSEIRHRBGYMK-CHWSQXEVSA-N -1 1 349.394 2.446 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001413685278 1253840149 /nfs/dbraw/zinc/84/01/49/1253840149.db2.gz AGRSEGRRANVNRU-QWHCGFSZSA-N -1 1 335.448 2.483 20 0 EEADMM CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001075141717 1257423699 /nfs/dbraw/zinc/42/36/99/1257423699.db2.gz IESOTCHILLXKBY-OLZOCXBDSA-N -1 1 333.432 2.333 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H](C)C2)CC1 ZINC001075159205 1257441336 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AFYUNZXEFXVNHD-UHFFFAOYSA-N -1 1 338.363 2.336 20 0 EEADMM COC[C@H](Cc1ccccc1)N(C)c1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609318232 1351931366 /nfs/dbraw/zinc/93/13/66/1351931366.db2.gz WPQIGTLAYGDFOB-INIZCTEOSA-N -1 1 338.415 2.264 20 0 EEADMM COC[C@H](Cc1ccccc1)N(C)c1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609318232 1351931368 /nfs/dbraw/zinc/93/13/68/1351931368.db2.gz WPQIGTLAYGDFOB-INIZCTEOSA-N -1 1 338.415 2.264 20 0 EEADMM Cc1cc(NCc2cc(COC(C)(C)C)on2)cc(-c2nnn[n-]2)n1 ZINC001609410322 1351966027 /nfs/dbraw/zinc/96/60/27/1351966027.db2.gz DJHOYTKTNNGBQP-UHFFFAOYSA-N -1 1 343.391 2.485 20 0 EEADMM Cc1cc(NCc2cc(COC(C)(C)C)on2)cc(-c2nn[n-]n2)n1 ZINC001609410322 1351966028 /nfs/dbraw/zinc/96/60/28/1351966028.db2.gz DJHOYTKTNNGBQP-UHFFFAOYSA-N -1 1 343.391 2.485 20 0 EEADMM Cc1ccnc2ccc(C(=O)OCc3cccnc3-c3nnn[n-]3)cc12 ZINC001609439239 1351977459 /nfs/dbraw/zinc/97/74/59/1351977459.db2.gz TWDOFNVVYKMYGU-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ccnc2ccc(C(=O)OCc3cccnc3-c3nn[n-]n3)cc12 ZINC001609439239 1351977462 /nfs/dbraw/zinc/97/74/62/1351977462.db2.gz TWDOFNVVYKMYGU-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1nn(C/C=C\c2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459360 1351985306 /nfs/dbraw/zinc/98/53/06/1351985306.db2.gz CBCIYMBINZJDEL-ARJAWSKDSA-N -1 1 342.790 2.407 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001609467779 1351988555 /nfs/dbraw/zinc/98/85/55/1351988555.db2.gz SSQFFWLMLDMFIP-GZMMTYOYSA-N -1 1 327.344 2.415 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001609467779 1351988557 /nfs/dbraw/zinc/98/85/57/1351988557.db2.gz SSQFFWLMLDMFIP-GZMMTYOYSA-N -1 1 327.344 2.415 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N2CCCSCC2)c1 ZINC001609485707 1351994932 /nfs/dbraw/zinc/99/49/32/1351994932.db2.gz SNKAGDMBTIGCLA-UHFFFAOYSA-N -1 1 330.339 2.224 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N2CCCSCC2)c1 ZINC001609485707 1351994933 /nfs/dbraw/zinc/99/49/33/1351994933.db2.gz SNKAGDMBTIGCLA-UHFFFAOYSA-N -1 1 330.339 2.224 20 0 EEADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001609544187 1352011375 /nfs/dbraw/zinc/01/13/75/1352011375.db2.gz CKFKQYIZLQORSB-CQSZACIVSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001609544187 1352011380 /nfs/dbraw/zinc/01/13/80/1352011380.db2.gz CKFKQYIZLQORSB-CQSZACIVSA-N -1 1 334.383 2.185 20 0 EEADMM O=C(NCc1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609555829 1352015688 /nfs/dbraw/zinc/01/56/88/1352015688.db2.gz UZJVCVWYHOUUKD-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609555829 1352015691 /nfs/dbraw/zinc/01/56/91/1352015691.db2.gz UZJVCVWYHOUUKD-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(O[C@H](c1ccccc1)C(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001609579088 1352024592 /nfs/dbraw/zinc/02/45/92/1352024592.db2.gz ZWLUFMLXOWOIFA-GFCCVEGCSA-N -1 1 331.282 2.425 20 0 EEADMM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)c1nn[n-]n1 ZINC001332604934 1335860115 /nfs/dbraw/zinc/86/01/15/1335860115.db2.gz ZLPXXXRDESUKDC-NSHDSACASA-N -1 1 338.371 2.021 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1C[C@@H]1c1ccccc1 ZINC001609578736 1352024412 /nfs/dbraw/zinc/02/44/12/1352024412.db2.gz ZCVUTOIFCAILQG-MNOVXSKESA-N -1 1 327.369 2.170 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1C[C@@H]1c1ccccc1 ZINC001609578736 1352024414 /nfs/dbraw/zinc/02/44/14/1352024414.db2.gz ZCVUTOIFCAILQG-MNOVXSKESA-N -1 1 327.369 2.170 20 0 EEADMM O=C(O[C@H](c1ccccc1)C(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001609579088 1352024588 /nfs/dbraw/zinc/02/45/88/1352024588.db2.gz ZWLUFMLXOWOIFA-GFCCVEGCSA-N -1 1 331.282 2.425 20 0 EEADMM c1[nH]nc(NCc2ccc(OCc3ccncc3)cc2)c1-c1nnn[n-]1 ZINC001609614220 1352039173 /nfs/dbraw/zinc/03/91/73/1352039173.db2.gz CUUKDBLEQCHNKF-UHFFFAOYSA-N -1 1 348.370 2.176 20 0 EEADMM c1[nH]nc(NCc2ccc(OCc3ccncc3)cc2)c1-c1nn[n-]n1 ZINC001609614220 1352039177 /nfs/dbraw/zinc/03/91/77/1352039177.db2.gz CUUKDBLEQCHNKF-UHFFFAOYSA-N -1 1 348.370 2.176 20 0 EEADMM CC(C)(NCCc1nc2ccccc2c(=O)[nH]1)c1nocc1C(=O)[O-] ZINC001609680479 1352057944 /nfs/dbraw/zinc/05/79/44/1352057944.db2.gz RXSDKGSYXCTOPC-UHFFFAOYSA-N -1 1 342.355 2.089 20 0 EEADMM C[C@H]1CN(C(=O)CCSc2ccccc2)CCN1CCC(=O)[O-] ZINC001609863935 1352105575 /nfs/dbraw/zinc/10/55/75/1352105575.db2.gz IDKSEFHPLWZJKI-AWEZNQCLSA-N -1 1 336.457 2.176 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC1=CCCCCC1 ZINC001609869542 1352107568 /nfs/dbraw/zinc/10/75/68/1352107568.db2.gz WEPCGLMWBLVGQH-OAHLLOKOSA-N -1 1 337.464 2.457 20 0 EEADMM CCC(C)(C)NC(=O)CN[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001609894070 1352113310 /nfs/dbraw/zinc/11/33/10/1352113310.db2.gz QAEMHZAJJWEMCH-GOSISDBHSA-N -1 1 336.432 2.280 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609940721 1352124896 /nfs/dbraw/zinc/12/48/96/1352124896.db2.gz QUACIUJGMIJBHA-ZBFHGGJFSA-N -1 1 340.464 2.122 20 0 EEADMM CCN(CCC(=O)[O-])CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC001609999761 1352137411 /nfs/dbraw/zinc/13/74/11/1352137411.db2.gz MYYZMIVRZSENNK-LLVKDONJSA-N -1 1 344.333 2.174 20 0 EEADMM CCN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])[C@H](C)C1 ZINC001610005645 1352138796 /nfs/dbraw/zinc/13/87/96/1352138796.db2.gz JVVKVSIXGLSDJV-SNVBAGLBSA-N -1 1 339.461 2.028 20 0 EEADMM CCc1cccc(OC[C@H](O)CNCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001610066463 1352154203 /nfs/dbraw/zinc/15/42/03/1352154203.db2.gz UZJWDHZUJZCGBY-CQSZACIVSA-N -1 1 333.384 2.378 20 0 EEADMM COc1cc(Cl)c(Cl)cc1NS(=O)(=O)CCC(=O)[O-] ZINC001610297369 1352201521 /nfs/dbraw/zinc/20/15/21/1352201521.db2.gz CIRITBRTQGDPAC-UHFFFAOYSA-N -1 1 328.173 2.218 20 0 EEADMM COc1ccc(CN(C)C(=O)CN[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001610330129 1352206545 /nfs/dbraw/zinc/20/65/45/1352206545.db2.gz NRTVSQDSXNRRNF-SFHVURJKSA-N -1 1 348.443 2.277 20 0 EEADMM COc1cccc2cc(CN3CC[C@H](n4cc(C(=O)[O-])nn4)C3)oc21 ZINC001610363972 1352211304 /nfs/dbraw/zinc/21/13/04/1352211304.db2.gz LEPMXBLEJGAIOJ-LBPRGKRZSA-N -1 1 342.355 2.178 20 0 EEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccnc(CN)c2)cc1 ZINC001610384997 1352214211 /nfs/dbraw/zinc/21/42/11/1352214211.db2.gz WBOCTARJIKRBIY-HNNXBMFYSA-N -1 1 345.424 2.208 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1C ZINC001610505973 1352235018 /nfs/dbraw/zinc/23/50/18/1352235018.db2.gz MFXMDZDSBAWXCE-QGZVFWFLSA-N -1 1 341.411 2.235 20 0 EEADMM Cc1ccc([C@@H](CN2CCOCC2)NCc2ccoc2C(=O)[O-])cc1 ZINC001610491749 1352232339 /nfs/dbraw/zinc/23/23/39/1352232339.db2.gz NQDOGAQPMJCVNG-QGZVFWFLSA-N -1 1 344.411 2.449 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427645217 1339330560 /nfs/dbraw/zinc/33/05/60/1339330560.db2.gz OYCRPCAWGMSLFJ-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCN(C(=O)C1C(C)(C)C1(C)C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428643277 1339614364 /nfs/dbraw/zinc/61/43/64/1339614364.db2.gz BPUSFAQJUSNJNU-GFCCVEGCSA-N -1 1 347.459 2.436 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CCOC[C@H]2CC2CCC2)cc1 ZINC001610837087 1352283094 /nfs/dbraw/zinc/28/30/94/1352283094.db2.gz VARRCZRXRIONQJ-SJORKVTESA-N -1 1 349.427 2.016 20 0 EEADMM C[C@@H](CC(=O)NC1CN(C(=O)c2ncccc2[O-])C1)CC(C)(C)C ZINC001430311816 1340185154 /nfs/dbraw/zinc/18/51/54/1340185154.db2.gz OUZFUOWGPGMBSR-LBPRGKRZSA-N -1 1 333.432 2.190 20 0 EEADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3cccc([O-])c3F)cc21 ZINC001617304318 1352339690 /nfs/dbraw/zinc/33/96/90/1352339690.db2.gz HRHYMLGSPAEMKW-UHFFFAOYSA-N -1 1 341.342 2.484 20 0 EEADMM CC1(CNC(=O)c2ccoc2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434277599 1341816726 /nfs/dbraw/zinc/81/67/26/1341816726.db2.gz ZKCUDMGBGLCYCS-UHFFFAOYSA-N -1 1 343.383 2.053 20 0 EEADMM Cc1ccc([C@H](O)CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)o1 ZINC001563131054 1342541368 /nfs/dbraw/zinc/54/13/68/1342541368.db2.gz ZDJZTEIIFKKWKF-CQSZACIVSA-N -1 1 342.355 2.334 20 0 EEADMM CC(C)Oc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)ccn1 ZINC001574341513 1343673681 /nfs/dbraw/zinc/67/36/81/1343673681.db2.gz YWCSMPNGEKQMPS-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577126631 1344092517 /nfs/dbraw/zinc/09/25/17/1344092517.db2.gz OQUKFDHMDOJUMP-ZWNOBZJWSA-N -1 1 342.407 2.033 20 0 EEADMM CC[C@@H]1[C@H](C)CCN1c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577126631 1344092520 /nfs/dbraw/zinc/09/25/20/1344092520.db2.gz OQUKFDHMDOJUMP-ZWNOBZJWSA-N -1 1 342.407 2.033 20 0 EEADMM [O-]C(=NO[C@@H](CO)C1CCCC1)Nc1cccc(-c2cn[nH]n2)c1 ZINC001578015917 1344223334 /nfs/dbraw/zinc/22/33/34/1344223334.db2.gz UEIKRJKYXASZLD-HNNXBMFYSA-N -1 1 331.376 2.076 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc(OC)c1C ZINC001579935100 1344435854 /nfs/dbraw/zinc/43/58/54/1344435854.db2.gz GXEWXYRDIACIKG-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc(OC)c1C ZINC001579935100 1344435858 /nfs/dbraw/zinc/43/58/58/1344435858.db2.gz GXEWXYRDIACIKG-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1Br ZINC001580047308 1344458559 /nfs/dbraw/zinc/45/85/59/1344458559.db2.gz YRXLSEHOOFPYGD-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1Br ZINC001580047308 1344458560 /nfs/dbraw/zinc/45/85/60/1344458560.db2.gz YRXLSEHOOFPYGD-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001580070778 1344464199 /nfs/dbraw/zinc/46/41/99/1344464199.db2.gz BUSUTEDIDZVXBG-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001580070778 1344464203 /nfs/dbraw/zinc/46/42/03/1344464203.db2.gz BUSUTEDIDZVXBG-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM Cc1c(F)cccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580557619 1344535731 /nfs/dbraw/zinc/53/57/31/1344535731.db2.gz KKWUOZBKFBBEMC-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1c(F)cccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580557619 1344535734 /nfs/dbraw/zinc/53/57/34/1344535734.db2.gz KKWUOZBKFBBEMC-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1cc(C)nc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)c1 ZINC001580917456 1344571675 /nfs/dbraw/zinc/57/16/75/1344571675.db2.gz SJGMAWVCFDROBS-UHFFFAOYSA-N -1 1 329.751 2.179 20 0 EEADMM Cc1cc2occ(CC(=O)Nc3c[nH]nc3-c3nn[n-]n3)c2cc1C ZINC001581046481 1344584099 /nfs/dbraw/zinc/58/40/99/1344584099.db2.gz VVRQBLCJQUKFQI-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1ccc(C)c(C(=O)CNC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001581176132 1344594729 /nfs/dbraw/zinc/59/47/29/1344594729.db2.gz KXMVPCXGTQSOCS-UHFFFAOYSA-N -1 1 341.396 2.158 20 0 EEADMM Cc1ccc(C)c(C(=O)CNC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001581176132 1344594732 /nfs/dbraw/zinc/59/47/32/1344594732.db2.gz KXMVPCXGTQSOCS-UHFFFAOYSA-N -1 1 341.396 2.158 20 0 EEADMM Cc1nsc(N[C@H](C)[C@@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581686946 1344654101 /nfs/dbraw/zinc/65/41/01/1344654101.db2.gz WMOVZRRDXVCLLV-RKDXNWHRSA-N -1 1 349.464 2.127 20 0 EEADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccsc1-c1nnn[n-]1 ZINC001582343697 1344739202 /nfs/dbraw/zinc/73/92/02/1344739202.db2.gz BYCHNPOSOBKTHV-SECBINFHSA-N -1 1 349.322 2.070 20 0 EEADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1ccsc1-c1nn[n-]n1 ZINC001582343697 1344739205 /nfs/dbraw/zinc/73/92/05/1344739205.db2.gz BYCHNPOSOBKTHV-SECBINFHSA-N -1 1 349.322 2.070 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)c2occc21 ZINC001582632127 1344771502 /nfs/dbraw/zinc/77/15/02/1344771502.db2.gz WMSCLRLFGDJEOA-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Cl)c2occc21 ZINC001582632127 1344771504 /nfs/dbraw/zinc/77/15/04/1344771504.db2.gz WMSCLRLFGDJEOA-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582651147 1344777835 /nfs/dbraw/zinc/77/78/35/1344777835.db2.gz XUTXRMRKEJLFSY-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582651147 1344777838 /nfs/dbraw/zinc/77/78/38/1344777838.db2.gz XUTXRMRKEJLFSY-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCc2c(F)cccc2C1 ZINC001582745308 1344788368 /nfs/dbraw/zinc/78/83/68/1344788368.db2.gz YSUNWGGUOGBETE-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC001588917683 1348947157 /nfs/dbraw/zinc/94/71/57/1348947157.db2.gz XWPWAHKZKNCFJD-UHFFFAOYSA-N -1 1 332.316 2.489 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001588917683 1348947162 /nfs/dbraw/zinc/94/71/62/1348947162.db2.gz XWPWAHKZKNCFJD-UHFFFAOYSA-N -1 1 332.316 2.489 20 0 EEADMM CC(=O)c1nn(C(C)C)c(C)c1OCc1ccc(-c2nnn[n-]2)o1 ZINC001588924370 1348948362 /nfs/dbraw/zinc/94/83/62/1348948362.db2.gz LIFHDPHKCZVYPK-UHFFFAOYSA-N -1 1 330.348 2.327 20 0 EEADMM CC(=O)c1nn(C(C)C)c(C)c1OCc1ccc(-c2nn[n-]n2)o1 ZINC001588924370 1348948365 /nfs/dbraw/zinc/94/83/65/1348948365.db2.gz LIFHDPHKCZVYPK-UHFFFAOYSA-N -1 1 330.348 2.327 20 0 EEADMM C[C@H](C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001588960293 1348950081 /nfs/dbraw/zinc/95/00/81/1348950081.db2.gz RPKXZPYYLDQHPX-NSHDSACASA-N -1 1 346.460 2.013 20 0 EEADMM C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC001589022431 1348953161 /nfs/dbraw/zinc/95/31/61/1348953161.db2.gz YJDTUCNHOWZORS-SNVBAGLBSA-N -1 1 333.355 2.485 20 0 EEADMM CC(C)(CO)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccs1 ZINC001589293851 1348980294 /nfs/dbraw/zinc/98/02/94/1348980294.db2.gz OSAKNZVTUCHGOT-LBPRGKRZSA-N -1 1 347.400 2.011 20 0 EEADMM CC(C)(CO)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccs1 ZINC001589293851 1348980297 /nfs/dbraw/zinc/98/02/97/1348980297.db2.gz OSAKNZVTUCHGOT-LBPRGKRZSA-N -1 1 347.400 2.011 20 0 EEADMM CC(C)=C(C)CC(=O)NC[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001589350168 1348985919 /nfs/dbraw/zinc/98/59/19/1348985919.db2.gz VWJOBUKZQOQUQD-JTQLQIEISA-N -1 1 349.464 2.295 20 0 EEADMM CC(C)[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](CO)C(C)C ZINC001589460997 1348992293 /nfs/dbraw/zinc/99/22/93/1348992293.db2.gz UWGOUITULTVKHT-SWLSCSKDSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](CO)C(C)C ZINC001589460997 1348992295 /nfs/dbraw/zinc/99/22/95/1348992295.db2.gz UWGOUITULTVKHT-SWLSCSKDSA-N -1 1 349.410 2.025 20 0 EEADMM CC(C)CC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589541870 1349002222 /nfs/dbraw/zinc/00/22/22/1349002222.db2.gz WWTRLVWBYMIUSQ-UHFFFAOYSA-N -1 1 343.478 2.279 20 0 EEADMM CC(C)CC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589541870 1349002226 /nfs/dbraw/zinc/00/22/26/1349002226.db2.gz WWTRLVWBYMIUSQ-UHFFFAOYSA-N -1 1 343.478 2.279 20 0 EEADMM CC(C)Oc1ccncc1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589760528 1349032701 /nfs/dbraw/zinc/03/27/01/1349032701.db2.gz ISJLHQZDOYGQBF-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM CC(C)Oc1cccnc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589760206 1349032877 /nfs/dbraw/zinc/03/28/77/1349032877.db2.gz BMWFTUUWVFEWBK-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)Oc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589760206 1349032883 /nfs/dbraw/zinc/03/28/83/1349032883.db2.gz BMWFTUUWVFEWBK-UHFFFAOYSA-N -1 1 330.373 2.363 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2ccsc2-c2nnn[n-]2)cs1 ZINC001589775574 1349035946 /nfs/dbraw/zinc/03/59/46/1349035946.db2.gz CJCIHEAIBMOGSU-UHFFFAOYSA-N -1 1 348.457 2.481 20 0 EEADMM CC(C)c1nc(CCNC(=O)c2ccsc2-c2nn[n-]n2)cs1 ZINC001589775574 1349035951 /nfs/dbraw/zinc/03/59/51/1349035951.db2.gz CJCIHEAIBMOGSU-UHFFFAOYSA-N -1 1 348.457 2.481 20 0 EEADMM C[C@@H](CCNc1ccnc(-c2nnn[n-]2)c1)N(C)C(=O)OC(C)(C)C ZINC001589829171 1349051145 /nfs/dbraw/zinc/05/11/45/1349051145.db2.gz KNNRSSVESSSGBS-NSHDSACASA-N -1 1 347.423 2.319 20 0 EEADMM C[C@@H](CCNc1ccnc(-c2nn[n-]n2)c1)N(C)C(=O)OC(C)(C)C ZINC001589829171 1349051149 /nfs/dbraw/zinc/05/11/49/1349051149.db2.gz KNNRSSVESSSGBS-NSHDSACASA-N -1 1 347.423 2.319 20 0 EEADMM CC1(C)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)[C@@H]1C1CC1 ZINC001590102356 1349156504 /nfs/dbraw/zinc/15/65/04/1349156504.db2.gz NDZBOXTUPSPTDN-GFCCVEGCSA-N -1 1 332.433 2.258 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590122049 1349163934 /nfs/dbraw/zinc/16/39/34/1349163934.db2.gz LWFCGMYJIWXBDA-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590122049 1349163935 /nfs/dbraw/zinc/16/39/35/1349163935.db2.gz LWFCGMYJIWXBDA-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@]1(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCCS1 ZINC001590131807 1349169231 /nfs/dbraw/zinc/16/92/31/1349169231.db2.gz NTHDAEIAHAVUOK-MRXNPFEDSA-N -1 1 342.428 2.364 20 0 EEADMM C[C@@H]1[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001590166095 1349182138 /nfs/dbraw/zinc/18/21/38/1349182138.db2.gz TZIOVIAILZFPCW-XZJROXQQSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001590166095 1349182142 /nfs/dbraw/zinc/18/21/42/1349182142.db2.gz TZIOVIAILZFPCW-XZJROXQQSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1C[C@@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590191628 1349193630 /nfs/dbraw/zinc/19/36/30/1349193630.db2.gz RLXGXCHGRWYXJP-MNOVXSKESA-N -1 1 331.424 2.391 20 0 EEADMM C[C@@H]1C[C@@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590191628 1349193631 /nfs/dbraw/zinc/19/36/31/1349193631.db2.gz RLXGXCHGRWYXJP-MNOVXSKESA-N -1 1 331.424 2.391 20 0 EEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590225392 1349211353 /nfs/dbraw/zinc/21/13/53/1349211353.db2.gz DJYTWFGVFMEOPS-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590225392 1349211357 /nfs/dbraw/zinc/21/13/57/1349211357.db2.gz DJYTWFGVFMEOPS-WPRPVWTQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CCCC[C@@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001590252915 1349228019 /nfs/dbraw/zinc/22/80/19/1349228019.db2.gz PRWSXUBIDKZGEX-VXGBXAGGSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590252870 1349228821 /nfs/dbraw/zinc/22/88/21/1349228821.db2.gz OQUMHUBEFWNNIR-VHSXEESVSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590252870 1349228827 /nfs/dbraw/zinc/22/88/27/1349228827.db2.gz OQUMHUBEFWNNIR-VHSXEESVSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274431 1349242680 /nfs/dbraw/zinc/24/26/80/1349242680.db2.gz KOCRLDDJJGXPGY-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274431 1349242684 /nfs/dbraw/zinc/24/26/84/1349242684.db2.gz KOCRLDDJJGXPGY-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590337477 1349273316 /nfs/dbraw/zinc/27/33/16/1349273316.db2.gz IXZCLSNPENJYCV-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590337477 1349273320 /nfs/dbraw/zinc/27/33/20/1349273320.db2.gz IXZCLSNPENJYCV-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM CC/C(C)=C\C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590385697 1349298117 /nfs/dbraw/zinc/29/81/17/1349298117.db2.gz SADFDYCSMCRRAB-RNKPRXRFSA-N -1 1 349.464 2.247 20 0 EEADMM CC[C@H](C)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)OC ZINC001590400388 1349303446 /nfs/dbraw/zinc/30/34/46/1349303446.db2.gz QQJZACKWAHBFNS-GXFFZTMASA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@H](C)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)OC ZINC001590400388 1349303451 /nfs/dbraw/zinc/30/34/51/1349303451.db2.gz QQJZACKWAHBFNS-GXFFZTMASA-N -1 1 327.392 2.283 20 0 EEADMM CC[C@H](C)CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001590406639 1349307440 /nfs/dbraw/zinc/30/74/40/1349307440.db2.gz QIJPCLPCAOJQPQ-ZETCQYMHSA-N -1 1 339.197 2.399 20 0 EEADMM CC[C@H](C)CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001590406639 1349307447 /nfs/dbraw/zinc/30/74/47/1349307447.db2.gz QIJPCLPCAOJQPQ-ZETCQYMHSA-N -1 1 339.197 2.399 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590425206 1349319813 /nfs/dbraw/zinc/31/98/13/1349319813.db2.gz HFBUEFCNKMWUCH-QMMMGPOBSA-N -1 1 345.300 2.443 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590425206 1349319819 /nfs/dbraw/zinc/31/98/19/1349319819.db2.gz HFBUEFCNKMWUCH-QMMMGPOBSA-N -1 1 345.300 2.443 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590479075 1349351142 /nfs/dbraw/zinc/35/11/42/1349351142.db2.gz LYDOODQTGUGNBI-AWEZNQCLSA-N -1 1 345.403 2.433 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590479075 1349351151 /nfs/dbraw/zinc/35/11/51/1349351151.db2.gz LYDOODQTGUGNBI-AWEZNQCLSA-N -1 1 345.403 2.433 20 0 EEADMM CCc1nc(NCc2ccccc2-n2ccnc2)cc(-c2nnn[n-]2)n1 ZINC001590922758 1349412562 /nfs/dbraw/zinc/41/25/62/1349412562.db2.gz OJUAICRICMWAHJ-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(NCc2ccccc2-n2ccnc2)cc(-c2nn[n-]n2)n1 ZINC001590922758 1349412565 /nfs/dbraw/zinc/41/25/65/1349412565.db2.gz OJUAICRICMWAHJ-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(NCc2ccn(-c3ccccc3)n2)cc(-c2nnn[n-]2)n1 ZINC001590922714 1349413063 /nfs/dbraw/zinc/41/30/63/1349413063.db2.gz LUHHIACCTCCBIF-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM CCc1nc(NCc2ccn(-c3ccccc3)n2)cc(-c2nn[n-]n2)n1 ZINC001590922714 1349413068 /nfs/dbraw/zinc/41/30/68/1349413068.db2.gz LUHHIACCTCCBIF-UHFFFAOYSA-N -1 1 347.386 2.017 20 0 EEADMM COc1cc(CN(C)c2cc(-c3nnn[n-]3)ncn2)ccc1SC ZINC001591525305 1349498288 /nfs/dbraw/zinc/49/82/88/1349498288.db2.gz DGYVOIVNASYRJN-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM COc1cc(CN(C)c2cc(-c3nn[n-]n3)ncn2)ccc1SC ZINC001591525305 1349498297 /nfs/dbraw/zinc/49/82/97/1349498297.db2.gz DGYVOIVNASYRJN-UHFFFAOYSA-N -1 1 343.416 2.024 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC001591614292 1349514754 /nfs/dbraw/zinc/51/47/54/1349514754.db2.gz LYGFWJJTKQEKQM-UHFFFAOYSA-N -1 1 343.318 2.275 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC001591614292 1349514759 /nfs/dbraw/zinc/51/47/59/1349514759.db2.gz LYGFWJJTKQEKQM-UHFFFAOYSA-N -1 1 343.318 2.275 20 0 EEADMM Cc1cccc([C@@H]2CCCN2Cc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592226997 1349612291 /nfs/dbraw/zinc/61/22/91/1349612291.db2.gz PPIJORNDHHWJBL-ZDUSSCGKSA-N -1 1 327.417 2.364 20 0 EEADMM Cc1cccc([C@@H]2CCCN2Cc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592226997 1349612293 /nfs/dbraw/zinc/61/22/93/1349612293.db2.gz PPIJORNDHHWJBL-ZDUSSCGKSA-N -1 1 327.417 2.364 20 0 EEADMM Cc1nc(C2CCCC2)sc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001592356873 1349624703 /nfs/dbraw/zinc/62/47/03/1349624703.db2.gz VDLQENQYGGWFHT-UHFFFAOYSA-N -1 1 344.404 2.265 20 0 EEADMM Cc1nc(C2CCCC2)sc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001592356873 1349624708 /nfs/dbraw/zinc/62/47/08/1349624708.db2.gz VDLQENQYGGWFHT-UHFFFAOYSA-N -1 1 344.404 2.265 20 0 EEADMM Cc1nc(NCCSCCC(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001592391900 1349627188 /nfs/dbraw/zinc/62/71/88/1349627188.db2.gz WGCSHQZFCJMPTK-UHFFFAOYSA-N -1 1 333.343 2.063 20 0 EEADMM Cc1nc(NCCSCCC(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001592391900 1349627189 /nfs/dbraw/zinc/62/71/89/1349627189.db2.gz WGCSHQZFCJMPTK-UHFFFAOYSA-N -1 1 333.343 2.063 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ccccc1N(C)C ZINC001592496348 1349637122 /nfs/dbraw/zinc/63/71/22/1349637122.db2.gz WWUQBVSCBWQNGY-UHFFFAOYSA-N -1 1 340.387 2.106 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ccccc1N(C)C ZINC001592496348 1349637123 /nfs/dbraw/zinc/63/71/23/1349637123.db2.gz WWUQBVSCBWQNGY-UHFFFAOYSA-N -1 1 340.387 2.106 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001592502613 1349640582 /nfs/dbraw/zinc/64/05/82/1349640582.db2.gz NXICKOAABSFHMT-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC001592502613 1349640585 /nfs/dbraw/zinc/64/05/85/1349640585.db2.gz NXICKOAABSFHMT-VIFPVBQESA-N -1 1 325.319 2.323 20 0 EEADMM FC(F)(F)c1cccc2c1CN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592621935 1349676889 /nfs/dbraw/zinc/67/68/89/1349676889.db2.gz GNLUWCGELDDXGX-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1cccc2c1CN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592621935 1349676893 /nfs/dbraw/zinc/67/68/93/1349676893.db2.gz GNLUWCGELDDXGX-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001592630635 1349682310 /nfs/dbraw/zinc/68/23/10/1349682310.db2.gz QRWDWAGRQLQNFY-JTQLQIEISA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@@H]1Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001592630635 1349682314 /nfs/dbraw/zinc/68/23/14/1349682314.db2.gz QRWDWAGRQLQNFY-JTQLQIEISA-N -1 1 331.286 2.187 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592829425 1349717278 /nfs/dbraw/zinc/71/72/78/1349717278.db2.gz ZVJJYDZATTZTSQ-VIFPVBQESA-N -1 1 342.186 2.279 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592829425 1349717279 /nfs/dbraw/zinc/71/72/79/1349717279.db2.gz ZVJJYDZATTZTSQ-VIFPVBQESA-N -1 1 342.186 2.279 20 0 EEADMM O=C(CCC1CCCCC1)NOCc1nc(-c2nnn[n-]2)cs1 ZINC001592830811 1349717581 /nfs/dbraw/zinc/71/75/81/1349717581.db2.gz ODFZXWDUMFBFDG-UHFFFAOYSA-N -1 1 336.421 2.232 20 0 EEADMM O=C(CCC1CCCCC1)NOCc1nc(-c2nn[n-]n2)cs1 ZINC001592830811 1349717585 /nfs/dbraw/zinc/71/75/85/1349717585.db2.gz ODFZXWDUMFBFDG-UHFFFAOYSA-N -1 1 336.421 2.232 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966362 1349730252 /nfs/dbraw/zinc/73/02/52/1349730252.db2.gz YRKFVLQROPHZKH-SUMWQHHRSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(N[C@H]1C[C@@]1(F)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966362 1349730255 /nfs/dbraw/zinc/73/02/55/1349730255.db2.gz YRKFVLQROPHZKH-SUMWQHHRSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(NCCCCCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593068131 1349737942 /nfs/dbraw/zinc/73/79/42/1349737942.db2.gz QLDVWDWSBVKWEA-UHFFFAOYSA-N -1 1 336.399 2.405 20 0 EEADMM O=C(NCCCCCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593068131 1349737948 /nfs/dbraw/zinc/73/79/48/1349737948.db2.gz QLDVWDWSBVKWEA-UHFFFAOYSA-N -1 1 336.399 2.405 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001593244387 1349749780 /nfs/dbraw/zinc/74/97/80/1349749780.db2.gz QQJUKVYZCCYZTL-DGCLKSJQSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001593244387 1349749784 /nfs/dbraw/zinc/74/97/84/1349749784.db2.gz QQJUKVYZCCYZTL-DGCLKSJQSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001593262175 1349754002 /nfs/dbraw/zinc/75/40/02/1349754002.db2.gz VKHWELUNSCWWCS-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCSCC1 ZINC001593263526 1349755105 /nfs/dbraw/zinc/75/51/05/1349755105.db2.gz TTWVIVZXOUWGLO-UHFFFAOYSA-N -1 1 330.826 2.058 20 0 EEADMM O=C([O-])[C@@H](NCc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1F ZINC001593274874 1349758845 /nfs/dbraw/zinc/75/88/45/1349758845.db2.gz BFCZKKDOVXEIHL-AWEZNQCLSA-N -1 1 345.309 2.060 20 0 EEADMM O=C(O[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001593308203 1349776426 /nfs/dbraw/zinc/77/64/26/1349776426.db2.gz RQQPHCXBPJQZKG-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001593308203 1349776428 /nfs/dbraw/zinc/77/64/28/1349776428.db2.gz RQQPHCXBPJQZKG-AWEZNQCLSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCSC12CCCCC2 ZINC001593348820 1349788689 /nfs/dbraw/zinc/78/86/89/1349788689.db2.gz QQIWYADWZRRCBO-UHFFFAOYSA-N -1 1 330.417 2.111 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCSC12CCCCC2 ZINC001593348820 1349788697 /nfs/dbraw/zinc/78/86/97/1349788697.db2.gz QQIWYADWZRRCBO-UHFFFAOYSA-N -1 1 330.417 2.111 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N(CCC(F)(F)F)CC1CC1 ZINC001593358766 1349789445 /nfs/dbraw/zinc/78/94/45/1349789445.db2.gz NYUXVJLIMZCJIS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N(CCC(F)(F)F)CC1CC1 ZINC001593358766 1349789448 /nfs/dbraw/zinc/78/94/48/1349789448.db2.gz NYUXVJLIMZCJIS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2ccc(Cl)cc21 ZINC001593358086 1349789665 /nfs/dbraw/zinc/78/96/65/1349789665.db2.gz BHCUOTKMYQUSJJ-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2ccc(Cl)cc21 ZINC001593358086 1349789666 /nfs/dbraw/zinc/78/96/66/1349789666.db2.gz 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Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1C ZINC001600486093 1350062819 /nfs/dbraw/zinc/06/28/19/1350062819.db2.gz RHWGSCDJXMEBCG-BPQIPLTHSA-N -1 1 344.455 2.414 20 0 EEADMM Cc1cccc(OCCCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC001600544990 1350078800 /nfs/dbraw/zinc/07/88/00/1350078800.db2.gz UERAKOYYNBOVSX-INIZCTEOSA-N -1 1 345.399 2.079 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001600670670 1350114279 /nfs/dbraw/zinc/11/42/79/1350114279.db2.gz IBZNQISMDNPPGA-QGZVFWFLSA-N -1 1 348.378 2.084 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001600675367 1350114738 /nfs/dbraw/zinc/11/47/38/1350114738.db2.gz WHWRZZXJSQZRGX-DZGCQCFKSA-N -1 1 334.420 2.251 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600858525 1350154019 /nfs/dbraw/zinc/15/40/19/1350154019.db2.gz XTXDXMKBXGEEGC-CYBMUJFWSA-N -1 1 344.411 2.291 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H]2COC(C)(C)O2)nc1C(=O)[O-] ZINC001600885186 1350160202 /nfs/dbraw/zinc/16/02/02/1350160202.db2.gz XOYQXEFFSUWUPT-QWRGUYRKSA-N -1 1 326.418 2.438 20 0 EEADMM Cn1ncc2cc(CN3C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C3)cnc21 ZINC001601033019 1350194881 /nfs/dbraw/zinc/19/48/81/1350194881.db2.gz VHPQEZLGUYLJSF-NWDGAFQWSA-N -1 1 342.321 2.053 20 0 EEADMM O=C([O-])c1coc(CN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC001601243203 1350240025 /nfs/dbraw/zinc/24/00/25/1350240025.db2.gz OEHSDTVZEDTAPZ-SNVBAGLBSA-N -1 1 348.321 2.258 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC001601302892 1350252798 /nfs/dbraw/zinc/25/27/98/1350252798.db2.gz BHTXBHKHQFQGIJ-CFVMTHIKSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])[C@H](C[C@@H]1CCCO1)NCC(=O)Nc1cccc2ccccc21 ZINC001601326786 1350258060 /nfs/dbraw/zinc/25/80/60/1350258060.db2.gz YUDXWFFTMFKAFO-YOEHRIQHSA-N -1 1 342.395 2.390 20 0 EEADMM O=C([O-])[C@@H](C[C@H]1CCCO1)NCc1ncc(Br)s1 ZINC001601641162 1350326612 /nfs/dbraw/zinc/32/66/12/1350326612.db2.gz IBXFOKYRMAYUPL-HTQZYQBOSA-N -1 1 335.223 2.018 20 0 EEADMM O=C([O-])[C@H](Cc1cncs1)NCc1ccn(-c2cccc(F)c2)n1 ZINC001601662992 1350331785 /nfs/dbraw/zinc/33/17/85/1350331785.db2.gz QZADFSSGKSMBIM-HNNXBMFYSA-N -1 1 346.387 2.253 20 0 EEADMM O=C([O-])[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1cccc(O)c1 ZINC001601674427 1350334836 /nfs/dbraw/zinc/33/48/36/1350334836.db2.gz DEQPLVLYYKBVCG-QGZVFWFLSA-N -1 1 341.319 2.120 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(Cc3cc(F)cc4cccnc43)C2)C1 ZINC001601747041 1350354997 /nfs/dbraw/zinc/35/49/97/1350354997.db2.gz XEJUSTRQKCDJRF-QGZVFWFLSA-N -1 1 329.331 2.179 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CNCc2nc(-c3ccncc3)cs2)C1(F)F ZINC001601753245 1350356659 /nfs/dbraw/zinc/35/66/59/1350356659.db2.gz RJZZVIHHSZALAZ-SKDRFNHKSA-N -1 1 325.340 2.261 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H](CCF)C1 ZINC001601867545 1350385491 /nfs/dbraw/zinc/38/54/91/1350385491.db2.gz XSLBFHHRWDTKPO-YOEHRIQHSA-N -1 1 348.418 2.096 20 0 EEADMM O=C([O-])CC1(CC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC001601913925 1350395748 /nfs/dbraw/zinc/39/57/48/1350395748.db2.gz HXHAPHBDCYYJAJ-INIZCTEOSA-N -1 1 342.399 2.436 20 0 EEADMM O=C([O-])[C@@H]1CN(Cn2c(=S)ncn2-c2ccccc2)C[C@H]1C1CC1 ZINC001602190227 1350461870 /nfs/dbraw/zinc/46/18/70/1350461870.db2.gz ICZOEUAYCDRUBW-LSDHHAIUSA-N -1 1 344.440 2.403 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1Cl ZINC001602337742 1350497537 /nfs/dbraw/zinc/49/75/37/1350497537.db2.gz IMMZWHGVHIQGCK-UHFFFAOYSA-N -1 1 336.779 2.172 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@@H](N3CCNC3=O)C2)cc1Cl ZINC001602338989 1350497885 /nfs/dbraw/zinc/49/78/85/1350497885.db2.gz RIZRSCXJKNNRIN-GFCCVEGCSA-N -1 1 337.807 2.028 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2cc(F)cc3nc[nH]c32)c(F)c1 ZINC001602343130 1350499736 /nfs/dbraw/zinc/49/97/36/1350499736.db2.gz FJTXSIUYJMYJSX-UHFFFAOYSA-N -1 1 331.278 2.469 20 0 EEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC001602452423 1350522338 /nfs/dbraw/zinc/52/23/38/1350522338.db2.gz AAMIHBPBCBPFSI-UHFFFAOYSA-N -1 1 344.295 2.182 20 0 EEADMM O=C([O-])c1coc(CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 ZINC001602555112 1350545342 /nfs/dbraw/zinc/54/53/42/1350545342.db2.gz ASNQRJHZGUTECW-OAHLLOKOSA-N -1 1 344.367 2.479 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCN(Cc1ccc3c(c1)NC(=O)CO3)C2 ZINC001602652414 1350566154 /nfs/dbraw/zinc/56/61/54/1350566154.db2.gz NMPABROMWXSJKC-UHFFFAOYSA-N -1 1 338.363 2.274 20 0 EEADMM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC001602899310 1350601527 /nfs/dbraw/zinc/60/15/27/1350601527.db2.gz YKPDIXYDFGXMST-LUAWRHEFSA-N -1 1 338.346 2.467 20 0 EEADMM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC001602899310 1350601531 /nfs/dbraw/zinc/60/15/31/1350601531.db2.gz YKPDIXYDFGXMST-LUAWRHEFSA-N -1 1 338.346 2.467 20 0 EEADMM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603059863 1350629057 /nfs/dbraw/zinc/62/90/57/1350629057.db2.gz HFVBHVWHAFUPQM-UHFFFAOYSA-N -1 1 329.451 2.031 20 0 EEADMM CC(C)(C)C(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603059863 1350629062 /nfs/dbraw/zinc/62/90/62/1350629062.db2.gz HFVBHVWHAFUPQM-UHFFFAOYSA-N -1 1 329.451 2.031 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC001603161527 1350652857 /nfs/dbraw/zinc/65/28/57/1350652857.db2.gz RFPVYLRDEYEJGX-VXGBXAGGSA-N -1 1 347.440 2.065 20 0 EEADMM C[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(Cl)s1 ZINC001603173552 1350655726 /nfs/dbraw/zinc/65/57/26/1350655726.db2.gz PTPMMGUKLZQWDI-CBAPKCEASA-N -1 1 327.793 2.040 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC12CC=CC2 ZINC001603249038 1350671928 /nfs/dbraw/zinc/67/19/28/1350671928.db2.gz CZMULWUDFSTAPK-INIZCTEOSA-N -1 1 338.415 2.007 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC12CC=CC2 ZINC001603249038 1350671934 /nfs/dbraw/zinc/67/19/34/1350671934.db2.gz CZMULWUDFSTAPK-INIZCTEOSA-N -1 1 338.415 2.007 20 0 EEADMM CC(C)CC1(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001603272909 1350677121 /nfs/dbraw/zinc/67/71/21/1350677121.db2.gz VWYKQFSHMKKMNS-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM CC(C)CC1(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001603272909 1350677123 /nfs/dbraw/zinc/67/71/23/1350677123.db2.gz VWYKQFSHMKKMNS-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM C[C@@H](CC(F)(F)F)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603457174 1350707662 /nfs/dbraw/zinc/70/76/62/1350707662.db2.gz ATQTVRZRAMQOFG-LURJTMIESA-N -1 1 349.263 2.350 20 0 EEADMM C[C@@H](CC(F)(F)F)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603457174 1350707666 /nfs/dbraw/zinc/70/76/66/1350707666.db2.gz ATQTVRZRAMQOFG-LURJTMIESA-N -1 1 349.263 2.350 20 0 EEADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC001603558328 1350719638 /nfs/dbraw/zinc/71/96/38/1350719638.db2.gz LKGYRSJICUWFGR-VIFPVBQESA-N -1 1 349.320 2.313 20 0 EEADMM CC(C)C[C@H]1CN(C)CCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001603784966 1350767385 /nfs/dbraw/zinc/76/73/85/1350767385.db2.gz SKVVHOOXENJVCS-HNNXBMFYSA-N -1 1 339.480 2.393 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001603797563 1350769714 /nfs/dbraw/zinc/76/97/14/1350769714.db2.gz DSWLRCVIDUPFKK-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001603797563 1350769716 /nfs/dbraw/zinc/76/97/16/1350769716.db2.gz DSWLRCVIDUPFKK-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC001603813628 1350774527 /nfs/dbraw/zinc/77/45/27/1350774527.db2.gz NAWOHJQWHVRCJV-IBGZPJMESA-N -1 1 348.410 2.172 20 0 EEADMM C[C@]1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC001603813628 1350774532 /nfs/dbraw/zinc/77/45/32/1350774532.db2.gz NAWOHJQWHVRCJV-IBGZPJMESA-N -1 1 348.410 2.172 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001603854297 1350783629 /nfs/dbraw/zinc/78/36/29/1350783629.db2.gz QDFZRVQMMLQZCU-UWVGGRQHSA-N -1 1 342.428 2.362 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001603999582 1350825600 /nfs/dbraw/zinc/82/56/00/1350825600.db2.gz KTGPDFJIOKWMLN-JSGCOSHPSA-N -1 1 330.436 2.195 20 0 EEADMM CCC1(CC)[C@H](OC(=O)c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1OC ZINC001604086727 1350851345 /nfs/dbraw/zinc/85/13/45/1350851345.db2.gz WWDXADBEVFDRRC-QWHCGFSZSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(CC)[C@H](OC(=O)c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1OC ZINC001604086727 1350851349 /nfs/dbraw/zinc/85/13/49/1350851349.db2.gz WWDXADBEVFDRRC-QWHCGFSZSA-N -1 1 331.376 2.012 20 0 EEADMM CCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001604092208 1350853504 /nfs/dbraw/zinc/85/35/04/1350853504.db2.gz NQUGHITZPWBJIV-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCCN(C(=O)[C@H]1C[C@@H]1C(F)F)c1snc(C)c1-c1nnn[n-]1 ZINC001604195943 1350890959 /nfs/dbraw/zinc/89/09/59/1350890959.db2.gz PVTSQDQQKGDEBQ-YUMQZZPRSA-N -1 1 342.375 2.276 20 0 EEADMM CCCN(C(=O)[C@H]1C[C@@H]1C(F)F)c1snc(C)c1-c1nn[n-]n1 ZINC001604195943 1350890962 /nfs/dbraw/zinc/89/09/62/1350890962.db2.gz PVTSQDQQKGDEBQ-YUMQZZPRSA-N -1 1 342.375 2.276 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604293984 1350911094 /nfs/dbraw/zinc/91/10/94/1350911094.db2.gz PHZDJSBRXLOXLG-UHFFFAOYSA-N -1 1 331.273 2.420 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604293984 1350911095 /nfs/dbraw/zinc/91/10/95/1350911095.db2.gz PHZDJSBRXLOXLG-UHFFFAOYSA-N -1 1 331.273 2.420 20 0 EEADMM CCc1nc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc(-c2nnn[n-]2)n1 ZINC001604563111 1350961437 /nfs/dbraw/zinc/96/14/37/1350961437.db2.gz IABFDWAQCJBYEP-AHIWAGSCSA-N -1 1 333.399 2.217 20 0 EEADMM CCc1nc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)cc(-c2nn[n-]n2)n1 ZINC001604563111 1350961439 /nfs/dbraw/zinc/96/14/39/1350961439.db2.gz IABFDWAQCJBYEP-AHIWAGSCSA-N -1 1 333.399 2.217 20 0 EEADMM CCc1nc(NC[C@@H]2CCCO[C@H]2C(C)C)cc(-c2nnn[n-]2)n1 ZINC001604563886 1350961492 /nfs/dbraw/zinc/96/14/92/1350961492.db2.gz HDKPKYVZFCFBBJ-NHYWBVRUSA-N -1 1 331.424 2.082 20 0 EEADMM CCc1nc(NC[C@@H]2CCCO[C@H]2C(C)C)cc(-c2nn[n-]n2)n1 ZINC001604563886 1350961495 /nfs/dbraw/zinc/96/14/95/1350961495.db2.gz HDKPKYVZFCFBBJ-NHYWBVRUSA-N -1 1 331.424 2.082 20 0 EEADMM CN(C)c1cccnc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001604703435 1350988138 /nfs/dbraw/zinc/98/81/38/1350988138.db2.gz AJWYNZPIXSJZBT-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1cccc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001604702880 1350988258 /nfs/dbraw/zinc/98/82/58/1350988258.db2.gz WNAHHWBFQDWUAQ-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C)c1cccc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001604702880 1350988259 /nfs/dbraw/zinc/98/82/59/1350988259.db2.gz WNAHHWBFQDWUAQ-UHFFFAOYSA-N -1 1 336.812 2.050 20 0 EEADMM CN(C1CCCCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604706483 1350988396 /nfs/dbraw/zinc/98/83/96/1350988396.db2.gz SLVZWGACKSQWAC-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM CN(C1CCCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604706483 1350988401 /nfs/dbraw/zinc/98/84/01/1350988401.db2.gz SLVZWGACKSQWAC-UHFFFAOYSA-N -1 1 341.462 2.272 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001604767674 1350998986 /nfs/dbraw/zinc/99/89/86/1350998986.db2.gz VQJHHAWWYZTDMA-IAISJRAMSA-N -1 1 341.411 2.278 20 0 EEADMM C[C@@H]1CN(C(=O)C2CCc3ccccc3CC2)CCN1CCC(=O)[O-] ZINC001604772477 1351000384 /nfs/dbraw/zinc/00/03/84/1351000384.db2.gz XVDLOMSSXQAILE-OAHLLOKOSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC001604776147 1351000901 /nfs/dbraw/zinc/00/09/01/1351000901.db2.gz OSCVRJFTSXFZEY-MUIFIZLQSA-N -1 1 345.443 2.012 20 0 EEADMM CN(CCc1ccccc1F)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604791708 1351004972 /nfs/dbraw/zinc/00/49/72/1351004972.db2.gz FFUKPSBPVDKKEN-UHFFFAOYSA-N -1 1 343.337 2.460 20 0 EEADMM CN(CCc1ccccc1F)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604791708 1351004976 /nfs/dbraw/zinc/00/49/76/1351004976.db2.gz FFUKPSBPVDKKEN-UHFFFAOYSA-N -1 1 343.337 2.460 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001604791420 1351005157 /nfs/dbraw/zinc/00/51/57/1351005157.db2.gz WSZWQCBLCPWECW-XJKCOSOUSA-N -1 1 344.402 2.209 20 0 EEADMM CN(Cc1ccncc1)c1cc(Br)cnc1-c1nnn[n-]1 ZINC001604821348 1351015551 /nfs/dbraw/zinc/01/55/51/1351015551.db2.gz AEGCVGNJLSJALO-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccncc1)c1cc(Br)cnc1-c1nn[n-]n1 ZINC001604821348 1351015552 /nfs/dbraw/zinc/01/55/52/1351015552.db2.gz AEGCVGNJLSJALO-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC001604869772 1351023226 /nfs/dbraw/zinc/02/32/26/1351023226.db2.gz QKCGTGDEMBHUPD-XJKSGUPXSA-N -1 1 336.407 2.327 20 0 EEADMM COC(=O)[C@@H](Sc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001604911233 1351030389 /nfs/dbraw/zinc/03/03/89/1351030389.db2.gz HHUIJLQNHCRIAU-ZDUSSCGKSA-N -1 1 327.369 2.268 20 0 EEADMM COC(=O)[C@@H](Sc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001604911233 1351030392 /nfs/dbraw/zinc/03/03/92/1351030392.db2.gz HHUIJLQNHCRIAU-ZDUSSCGKSA-N -1 1 327.369 2.268 20 0 EEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@H](CC(=O)[O-])C2CC2)n[nH]1 ZINC001604977551 1351043410 /nfs/dbraw/zinc/04/34/10/1351043410.db2.gz QNNJXDCWMARDLJ-NHCYSSNCSA-N -1 1 337.424 2.179 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nnn[n-]3)ncn2)c(C)c1OC ZINC001605263186 1351119153 /nfs/dbraw/zinc/11/91/53/1351119153.db2.gz LEEPSQOFTPJXBP-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM COc1ccc([C@H](C)Nc2cc(-c3nn[n-]n3)ncn2)c(C)c1OC ZINC001605263186 1351119154 /nfs/dbraw/zinc/11/91/54/1351119154.db2.gz LEEPSQOFTPJXBP-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM CCCCCN(CC(N)=O)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001605269431 1351120604 /nfs/dbraw/zinc/12/06/04/1351120604.db2.gz ROKTXXTUCIXRQW-UHFFFAOYSA-N -1 1 329.400 2.411 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001605346117 1351142078 /nfs/dbraw/zinc/14/20/78/1351142078.db2.gz NNXSTKDJLQMFDY-JOYOIKCWSA-N -1 1 345.407 2.217 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N2[C@H](C)CCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001605381358 1351149426 /nfs/dbraw/zinc/14/94/26/1351149426.db2.gz VTYIHUBOTLLTBE-DTORHVGOSA-N -1 1 348.432 2.092 20 0 EEADMM CCN(CC)[C@H](CNC(=O)Cc1ccc(C(=O)[O-])nc1)c1ccco1 ZINC001605426353 1351156473 /nfs/dbraw/zinc/15/64/73/1351156473.db2.gz XJQKXKCVYWFERT-OAHLLOKOSA-N -1 1 345.399 2.115 20 0 EEADMM Cc1[nH]c2ccc(F)cc2c1CCNc1ncncc1-c1nn[n-]n1 ZINC001605456658 1351162080 /nfs/dbraw/zinc/16/20/80/1351162080.db2.gz OPBMODNEYUJVEE-UHFFFAOYSA-N -1 1 338.350 2.240 20 0 EEADMM CCN1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)(C(F)(F)F)CC1 ZINC001605471923 1351164865 /nfs/dbraw/zinc/16/48/65/1351164865.db2.gz BNLJHHNKFUMDHJ-WDEREUQCSA-N -1 1 336.354 2.020 20 0 EEADMM CCOC(=O)C1(C)CC(N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC001605516994 1351176597 /nfs/dbraw/zinc/17/65/97/1351176597.db2.gz GBCMGEDMZRESNR-QCIACWGRSA-N -1 1 327.327 2.412 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCN(C)c2ccccc2F)n1 ZINC001605578333 1351193304 /nfs/dbraw/zinc/19/33/04/1351193304.db2.gz JTRIECXWFWOXOJ-UHFFFAOYSA-N -1 1 342.382 2.043 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCN(C)c2ccccc2F)n1 ZINC001605578333 1351193310 /nfs/dbraw/zinc/19/33/10/1351193310.db2.gz JTRIECXWFWOXOJ-UHFFFAOYSA-N -1 1 342.382 2.043 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCCOc2ccccc2)n1 ZINC001605577983 1351193396 /nfs/dbraw/zinc/19/33/96/1351193396.db2.gz CCNIUKOLRGTTHV-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCCOc2ccccc2)n1 ZINC001605577983 1351193399 /nfs/dbraw/zinc/19/33/99/1351193399.db2.gz CCNIUKOLRGTTHV-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1cc(NC[C@@H](c2ccnn2C)C(C)C)nc(-c2nnn[n-]2)c1 ZINC001605728472 1351219201 /nfs/dbraw/zinc/21/92/01/1351219201.db2.gz LJZNWYNVBDAMDH-GFCCVEGCSA-N -1 1 326.408 2.155 20 0 EEADMM Cc1cc(NC[C@@H](c2ccnn2C)C(C)C)nc(-c2nn[n-]n2)c1 ZINC001605728472 1351219204 /nfs/dbraw/zinc/21/92/04/1351219204.db2.gz LJZNWYNVBDAMDH-GFCCVEGCSA-N -1 1 326.408 2.155 20 0 EEADMM CCS(=O)(=O)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC001605733420 1351219483 /nfs/dbraw/zinc/21/94/83/1351219483.db2.gz IFUBVYZFKGLCLA-UHFFFAOYSA-N -1 1 333.409 2.468 20 0 EEADMM Cc1cc(NCCCc2nc(C(C)C)no2)cc(-c2nnn[n-]2)n1 ZINC001605734392 1351220108 /nfs/dbraw/zinc/22/01/08/1351220108.db2.gz BCCLSBITRPPDES-UHFFFAOYSA-N -1 1 328.380 2.121 20 0 EEADMM Cc1cc(NCCCc2nc(C(C)C)no2)cc(-c2nn[n-]n2)n1 ZINC001605734392 1351220111 /nfs/dbraw/zinc/22/01/11/1351220111.db2.gz BCCLSBITRPPDES-UHFFFAOYSA-N -1 1 328.380 2.121 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001605830384 1351230822 /nfs/dbraw/zinc/23/08/22/1351230822.db2.gz KNRZKNRFINKLFV-HZPDHXFCSA-N -1 1 348.443 2.362 20 0 EEADMM Cc1ccc(Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)c(C)n1 ZINC001605861778 1351239939 /nfs/dbraw/zinc/23/99/39/1351239939.db2.gz YRUNRESPDXWHBD-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1ccc(N2CCO[C@H](c3ccsc3)C2)c(-c2nnn[n-]2)n1 ZINC001605866880 1351241175 /nfs/dbraw/zinc/24/11/75/1351241175.db2.gz CPJXCELUONSOIS-ZDUSSCGKSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1ccc(N2CCO[C@H](c3ccsc3)C2)c(-c2nn[n-]n2)n1 ZINC001605866880 1351241178 /nfs/dbraw/zinc/24/11/78/1351241178.db2.gz CPJXCELUONSOIS-ZDUSSCGKSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1ccc(Oc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)c[n+]1[O-] ZINC001605879228 1351244383 /nfs/dbraw/zinc/24/43/83/1351244383.db2.gz HOSQYHOCJJOISH-UHFFFAOYSA-N -1 1 338.249 2.015 20 0 EEADMM Cc1ccc(Oc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)c[n+]1[O-] ZINC001605879228 1351244387 /nfs/dbraw/zinc/24/43/87/1351244387.db2.gz HOSQYHOCJJOISH-UHFFFAOYSA-N -1 1 338.249 2.015 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC001606167848 1351280582 /nfs/dbraw/zinc/28/05/82/1351280582.db2.gz YLJUGISLIHNOSI-LLVKDONJSA-N -1 1 330.175 2.082 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC001606167848 1351280584 /nfs/dbraw/zinc/28/05/84/1351280584.db2.gz YLJUGISLIHNOSI-LLVKDONJSA-N -1 1 330.175 2.082 20 0 EEADMM Clc1nc(NCc2cnn3ccccc23)sc1-c1nnn[n-]1 ZINC001606200228 1351284501 /nfs/dbraw/zinc/28/45/01/1351284501.db2.gz ZXDNIXCGXIOPHY-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Clc1nc(NCc2cnn3ccccc23)sc1-c1nn[n-]n1 ZINC001606200228 1351284503 /nfs/dbraw/zinc/28/45/03/1351284503.db2.gz ZXDNIXCGXIOPHY-UHFFFAOYSA-N -1 1 332.780 2.236 20 0 EEADMM Fc1ccc(Oc2ncnc3cccc(F)c32)c(-c2nn[n-]n2)n1 ZINC001606323418 1351292497 /nfs/dbraw/zinc/29/24/97/1351292497.db2.gz SNGPYPRSSDTESD-UHFFFAOYSA-N -1 1 327.254 2.275 20 0 EEADMM COC(=O)C[C@@](C)(NCc1ccccc1CC(=O)[O-])c1ccncc1 ZINC001606440339 1351302824 /nfs/dbraw/zinc/30/28/24/1351302824.db2.gz LYIDCAHRTPSBEW-LJQANCHMSA-N -1 1 342.395 2.277 20 0 EEADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606475970 1351307346 /nfs/dbraw/zinc/30/73/46/1351307346.db2.gz FJUHUXHXHKUODL-XYYAHUGASA-N -1 1 338.415 2.367 20 0 EEADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606475970 1351307347 /nfs/dbraw/zinc/30/73/47/1351307347.db2.gz FJUHUXHXHKUODL-XYYAHUGASA-N -1 1 338.415 2.367 20 0 EEADMM COC(=O)c1ccc2[nH]c(CN3CCCC[C@H]3CC(=O)[O-])nc2c1 ZINC001606605927 1351331081 /nfs/dbraw/zinc/33/10/81/1351331081.db2.gz QUVBFLNHFXXRQW-LBPRGKRZSA-N -1 1 331.372 2.179 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)C1CCCC1 ZINC001606617081 1351332554 /nfs/dbraw/zinc/33/25/54/1351332554.db2.gz BPACPKGQLNSIGU-UHFFFAOYSA-N -1 1 329.385 2.002 20 0 EEADMM CO[C@]1(C(=O)[O-])CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC001606704356 1351344295 /nfs/dbraw/zinc/34/42/95/1351344295.db2.gz WWQSAYKFBATZQS-SCLBCKFNSA-N -1 1 334.416 2.313 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc2ncccc21 ZINC001606892285 1351370777 /nfs/dbraw/zinc/37/07/77/1351370777.db2.gz FALLMJBNUMCGAK-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(Cc2cccs2)C1 ZINC001606940803 1351380786 /nfs/dbraw/zinc/38/07/86/1351380786.db2.gz GRTMFLTVHZGACU-UHFFFAOYSA-N -1 1 341.400 2.030 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(Cc2cccs2)C1 ZINC001606940803 1351380789 /nfs/dbraw/zinc/38/07/89/1351380789.db2.gz GRTMFLTVHZGACU-UHFFFAOYSA-N -1 1 341.400 2.030 20 0 EEADMM O=C(OCc1cccc2c[nH]nc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001606983477 1351392527 /nfs/dbraw/zinc/39/25/27/1351392527.db2.gz YXYXMBZFQLOCCM-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(OCc1cccc2c[nH]nc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001606983477 1351392528 /nfs/dbraw/zinc/39/25/28/1351392528.db2.gz YXYXMBZFQLOCCM-UHFFFAOYSA-N -1 1 338.302 2.239 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1Cc2ccccc2C1 ZINC001607005901 1351395932 /nfs/dbraw/zinc/39/59/32/1351395932.db2.gz GOKSESWYMDONFF-UHFFFAOYSA-N -1 1 327.294 2.301 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1Cc2ccccc2C1 ZINC001607005901 1351395933 /nfs/dbraw/zinc/39/59/33/1351395933.db2.gz GOKSESWYMDONFF-UHFFFAOYSA-N -1 1 327.294 2.301 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@]2(CCSC2)C1 ZINC001607017262 1351397944 /nfs/dbraw/zinc/39/79/44/1351397944.db2.gz SFLUOVMTBZOKOB-AWEZNQCLSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@]2(CCSC2)C1 ZINC001607017262 1351397946 /nfs/dbraw/zinc/39/79/46/1351397946.db2.gz SFLUOVMTBZOKOB-AWEZNQCLSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(CC(F)(F)F)c1ccccn1 ZINC001607031138 1351401018 /nfs/dbraw/zinc/40/10/18/1351401018.db2.gz UQOGJTRBYHFPGM-UHFFFAOYSA-N -1 1 338.249 2.064 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(CC(F)(F)F)c1ccccn1 ZINC001607031138 1351401019 /nfs/dbraw/zinc/40/10/19/1351401019.db2.gz UQOGJTRBYHFPGM-UHFFFAOYSA-N -1 1 338.249 2.064 20 0 EEADMM O=c1ccc2ccc(OCc3nc(-c4nnn[n-]4)cs3)cc2o1 ZINC001607090577 1351414340 /nfs/dbraw/zinc/41/43/40/1351414340.db2.gz NJBQCXUJVUDRCB-UHFFFAOYSA-N -1 1 327.325 2.009 20 0 EEADMM O=c1ccc2ccc(OCc3nc(-c4nn[n-]n4)cs3)cc2o1 ZINC001607090577 1351414345 /nfs/dbraw/zinc/41/43/45/1351414345.db2.gz NJBQCXUJVUDRCB-UHFFFAOYSA-N -1 1 327.325 2.009 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCN2C(C)(C)C)cc1 ZINC001607223291 1351452448 /nfs/dbraw/zinc/45/24/48/1351452448.db2.gz YVAPNBDKLZZYIG-HUUCEWRRSA-N -1 1 334.416 2.200 20 0 EEADMM COc1cccc([C@@H](NCc2cccc(C(=O)N(C)C)c2)C(=O)[O-])c1 ZINC001607313964 1351471440 /nfs/dbraw/zinc/47/14/40/1351471440.db2.gz UYOBYBVHMNQFSE-QGZVFWFLSA-N -1 1 342.395 2.313 20 0 EEADMM C[C@@H](C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)N(C)C ZINC001607416588 1351491339 /nfs/dbraw/zinc/49/13/39/1351491339.db2.gz GHQJARJIMQXZPY-LURJTMIESA-N -1 1 333.157 2.175 20 0 EEADMM C[C@H]1CC[C@@](NCC(=O)N2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC001607463771 1351498023 /nfs/dbraw/zinc/49/80/23/1351498023.db2.gz MRCOEUSNKAGSTA-QUWSVYMGSA-N -1 1 330.428 2.194 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)n[nH]1 ZINC001607639058 1351530753 /nfs/dbraw/zinc/53/07/53/1351530753.db2.gz WRALMGVBUTYCRS-LLVKDONJSA-N -1 1 330.388 2.488 20 0 EEADMM Cc1cc(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)n[nH]1 ZINC001607643126 1351531967 /nfs/dbraw/zinc/53/19/67/1351531967.db2.gz KAKGYAOCGANQFJ-CQSZACIVSA-N -1 1 342.399 2.336 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN(CC2CC2)CC1 ZINC001607739983 1351549398 /nfs/dbraw/zinc/54/93/98/1351549398.db2.gz KGBOLSADWJQQFT-AWEZNQCLSA-N -1 1 345.443 2.048 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(CN(C)C)nc2)cc1 ZINC001607753386 1351551979 /nfs/dbraw/zinc/55/19/79/1351551979.db2.gz JZSXMLMPBKJWIO-QGZVFWFLSA-N -1 1 341.411 2.397 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001608007447 1351602790 /nfs/dbraw/zinc/60/27/90/1351602790.db2.gz ICEFMHPNFZVZKX-ZANVPECISA-N -1 1 345.403 2.002 20 0 EEADMM Cc1n[nH]c(=O)c(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001608018510 1351608294 /nfs/dbraw/zinc/60/82/94/1351608294.db2.gz IILKQWUBURSVOF-GFCCVEGCSA-N -1 1 331.372 2.113 20 0 EEADMM Cn1c(=O)oc2cc(CN[C@@H](C(=O)[O-])c3ccccc3F)ccc21 ZINC001608077137 1351620316 /nfs/dbraw/zinc/62/03/16/1351620316.db2.gz FTTNQTAMJJZMTR-OAHLLOKOSA-N -1 1 330.315 2.186 20 0 EEADMM CSc1ncc(C(=O)NCc2nc3ccccc3s2)c(=O)[n-]1 ZINC001624865671 1352432779 /nfs/dbraw/zinc/43/27/79/1352432779.db2.gz RGABZBGSZJNYIH-UHFFFAOYSA-N -1 1 332.410 2.444 20 0 EEADMM CCCCc1nc2cc(NC(=O)CCCc3nn[n-]n3)ccc2[nH]1 ZINC001630958749 1352575061 /nfs/dbraw/zinc/57/50/61/1352575061.db2.gz RENMAIKVTPVXPZ-UHFFFAOYSA-N -1 1 327.392 2.380 20 0 EEADMM CC(C)c1ccc2cc(C(=O)NCc3nc([O-])cc(=O)[nH]3)[nH]c2c1 ZINC001634157317 1352622650 /nfs/dbraw/zinc/62/26/50/1352622650.db2.gz CVMLDMBSMDPSFH-UHFFFAOYSA-N -1 1 326.356 2.423 20 0 EEADMM Cc1c(NC(=O)c2cccc([O-])c2F)nnn1Cc1ccncc1 ZINC001636372481 1352662904 /nfs/dbraw/zinc/66/29/04/1352662904.db2.gz LRBVFDBLQLZRCV-UHFFFAOYSA-N -1 1 327.319 2.127 20 0 EEADMM O=C(Nc1nnc2ccc(Br)cn21)c1ccccc1[O-] ZINC001640944907 1352715722 /nfs/dbraw/zinc/71/57/22/1352715722.db2.gz DORWTCSYSHWYRD-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(C(F)F)nc1 ZINC001642558359 1352733969 /nfs/dbraw/zinc/73/39/69/1352733969.db2.gz UJRHETUBSBYZBH-LBPRGKRZSA-N -1 1 330.298 2.052 20 0 EEADMM Cc1nc2nc(SCC(=O)c3ccc([O-])cc3O)nn2c(C)c1C ZINC000060867393 1352773032 /nfs/dbraw/zinc/77/30/32/1352773032.db2.gz AQLWAIYEOJUNQY-UHFFFAOYSA-N -1 1 344.396 2.436 20 0 EEADMM C[C@@H]1C(=O)CC[C@H](C(=O)OCC(=O)c2ccc([O-])cc2O)C1(C)C ZINC001647153783 1353167771 /nfs/dbraw/zinc/16/77/71/1353167771.db2.gz QFHFUSLROVCCJF-ZWNOBZJWSA-N -1 1 334.368 2.465 20 0 EEADMM Cc1c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cnn1C1CCCC1 ZINC001647184702 1353179195 /nfs/dbraw/zinc/17/91/95/1353179195.db2.gz QWQHUFPLLGGBMS-LBPRGKRZSA-N -1 1 345.403 2.415 20 0 EEADMM CS(=O)(=O)c1cccc(Cl)c1CN[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001647328423 1353232481 /nfs/dbraw/zinc/23/24/81/1353232481.db2.gz OSOBPUAUUNVGKU-XYPYZODXSA-N -1 1 345.848 2.477 20 0 EEADMM Cc1cc(C(C)(C)C(=O)N(C)c2nn[n-]n2)ccc1Br ZINC001647398539 1353261964 /nfs/dbraw/zinc/26/19/64/1353261964.db2.gz HXIFLGMLNBNAKU-UHFFFAOYSA-N -1 1 338.209 2.211 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cccc(C(F)F)c2)C1 ZINC001647424362 1353272209 /nfs/dbraw/zinc/27/22/09/1353272209.db2.gz GXHASEGHWPOCBN-ZDUSSCGKSA-N -1 1 326.343 2.037 20 0 EEADMM Cn1cc(CN2CCC[C@H]2c2cccc3c2OCCO3)c(C(=O)[O-])n1 ZINC001650012716 1353687793 /nfs/dbraw/zinc/68/77/93/1353687793.db2.gz KWMUTCWRKUUNBB-AWEZNQCLSA-N -1 1 343.383 2.227 20 0 EEADMM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCSC[C@@H]1C ZINC001650311537 1353843220 /nfs/dbraw/zinc/84/32/20/1353843220.db2.gz LNETUNKHVJUXMX-JTQLQIEISA-N -1 1 346.460 2.280 20 0 EEADMM CCC(=O)NC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001650589854 1354008614 /nfs/dbraw/zinc/00/86/14/1354008614.db2.gz QLEXPYMZVZWZDH-UHFFFAOYSA-N -1 1 342.395 2.382 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)cc1C ZINC001663908440 1355052072 /nfs/dbraw/zinc/05/20/72/1355052072.db2.gz BFHNHPGXNQAJQA-UHFFFAOYSA-N -1 1 348.380 2.334 20 0 EEADMM Cc1cc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)sn1 ZINC001667427384 1355740164 /nfs/dbraw/zinc/74/01/64/1355740164.db2.gz DTZCFXOHDPLMNL-CQSZACIVSA-N -1 1 348.453 2.368 20 0 EEADMM COc1cc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccn1 ZINC001672119938 1356465432 /nfs/dbraw/zinc/46/54/32/1356465432.db2.gz JZEYDQLSJCJQTB-UHFFFAOYSA-N -1 1 339.355 2.303 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001388739599 1387687924 /nfs/dbraw/zinc/68/79/24/1387687924.db2.gz OCAWIHDHSPCRKJ-UONOGXRCSA-N -1 1 333.432 2.286 20 0 EEADMM COC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009652 1368338526 /nfs/dbraw/zinc/33/85/26/1368338526.db2.gz LYDALADINBKEEF-LURJTMIESA-N -1 1 344.177 2.041 20 0 EEADMM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(F)c(Br)c(F)c1 ZINC001189009322 1368339166 /nfs/dbraw/zinc/33/91/66/1368339166.db2.gz FUTSSCFBJCWQLA-SSDLBLMSSA-N -1 1 326.162 2.414 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cn(CC(C)C)cn1 ZINC001201770463 1368843082 /nfs/dbraw/zinc/84/30/82/1368843082.db2.gz QUJYHAWMMOFGEF-UHFFFAOYSA-N -1 1 348.881 2.436 20 0 EEADMM C[C@H]1CN(Cn2[n-]c(-c3ccccn3)nc2=S)C[C@@H](C2CC2)O1 ZINC000794660511 1369591551 /nfs/dbraw/zinc/59/15/51/1369591551.db2.gz YSPPVPCXKYPUIK-FZMZJTMJSA-N -1 1 331.445 2.459 20 0 EEADMM Cc1cccc(-c2ccc(C(=O)N3CCC[C@H]3c3nn[n-]n3)n2C)c1 ZINC000900391889 1369923074 /nfs/dbraw/zinc/92/30/74/1369923074.db2.gz WFFUTQBJTZLSHZ-HNNXBMFYSA-N -1 1 336.399 2.491 20 0 EEADMM CC1(C)C[C@@H](C(=O)N2CCC[C@@H]2c2nn[n-]n2)c2ccccc2O1 ZINC000900390130 1369923518 /nfs/dbraw/zinc/92/35/18/1369923518.db2.gz LGCDIVRJYNQEOQ-CHWSQXEVSA-N -1 1 327.388 2.208 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccnc(C(=O)[O-])c2)n[nH]1 ZINC000846703516 1369967603 /nfs/dbraw/zinc/96/76/03/1369967603.db2.gz KVCWARAHTJZDGX-CYBMUJFWSA-N -1 1 343.387 2.389 20 0 EEADMM CCc1nsc(NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001069461884 1370134083 /nfs/dbraw/zinc/13/40/83/1370134083.db2.gz UTXOZXVZUDGJON-QWRGUYRKSA-N -1 1 347.444 2.212 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(Cl)n2)C1)c1ncccc1[O-] ZINC001069461946 1370134106 /nfs/dbraw/zinc/13/41/06/1370134106.db2.gz VNWLTUJBSQRKBA-GHMZBOCLSA-N -1 1 347.806 2.241 20 0 EEADMM CCN(CCOc1ccccc1C)c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001121469424 1371884904 /nfs/dbraw/zinc/88/49/04/1371884904.db2.gz FWXODVNEFXREEU-UHFFFAOYSA-N -1 1 342.403 2.125 20 0 EEADMM Cc1ccc(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1Cl ZINC000828701390 1372249384 /nfs/dbraw/zinc/24/93/84/1372249384.db2.gz IEMBSCHGDWUSKA-UHFFFAOYSA-N -1 1 348.752 2.328 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(F)(F)F ZINC000830514044 1372331699 /nfs/dbraw/zinc/33/16/99/1372331699.db2.gz BJQUHBUSBWOSPL-BDAKNGLRSA-N -1 1 339.326 2.309 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000830794701 1372350249 /nfs/dbraw/zinc/35/02/49/1372350249.db2.gz AGLLTMPARSYAGL-HNNXBMFYSA-N -1 1 343.349 2.177 20 0 EEADMM COC(=O)C[C@@H](C)OC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000835300733 1372610678 /nfs/dbraw/zinc/61/06/78/1372610678.db2.gz UILYCNGBATUPPH-GFCCVEGCSA-N -1 1 345.351 2.480 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)o1 ZINC001140946271 1372722205 /nfs/dbraw/zinc/72/22/05/1372722205.db2.gz YPCIEJPQBSJORV-GOSISDBHSA-N -1 1 341.367 2.002 20 0 EEADMM COc1ccc(C)cc1CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001350831670 1372980621 /nfs/dbraw/zinc/98/06/21/1372980621.db2.gz RWEOQGDEIONQTR-UHFFFAOYSA-N -1 1 333.413 2.069 20 0 EEADMM CSc1nc(NS(=O)(=O)c2cccc(C)c2F)cc(=O)[n-]1 ZINC001200675384 1373081161 /nfs/dbraw/zinc/08/11/61/1373081161.db2.gz GITONFPYCYFIFD-UHFFFAOYSA-N -1 1 329.378 2.152 20 0 EEADMM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc([O-])c1F ZINC001361874596 1373350768 /nfs/dbraw/zinc/35/07/68/1373350768.db2.gz COIBVVOROODALL-AWEZNQCLSA-N -1 1 328.343 2.062 20 0 EEADMM COc1cc(OC)c(OC)cc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001362221714 1373379372 /nfs/dbraw/zinc/37/93/72/1373379372.db2.gz YUACDSLWPNKVIM-UHFFFAOYSA-N -1 1 345.355 2.338 20 0 EEADMM Cc1cc(CCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)no1 ZINC001362221465 1373379905 /nfs/dbraw/zinc/37/99/05/1373379905.db2.gz MJYQXVNCRDEEIG-UHFFFAOYSA-N -1 1 341.364 2.065 20 0 EEADMM CCCC1(C(=O)NCCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001367214054 1374132219 /nfs/dbraw/zinc/13/22/19/1374132219.db2.gz XLFDWNRNTXWCKA-UHFFFAOYSA-N -1 1 349.479 2.199 20 0 EEADMM 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Cc1coc(C(=O)N(C)CC(C)(C)CNC(=O)c2ncccc2[O-])c1 ZINC001395019044 1390773346 /nfs/dbraw/zinc/77/33/46/1390773346.db2.gz JTYCHTFOSDVPSJ-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM Cc1cc(C)cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])c1 ZINC001395562844 1390838486 /nfs/dbraw/zinc/83/84/86/1390838486.db2.gz WHFXCQKGIXTKSJ-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001396795798 1390970280 /nfs/dbraw/zinc/97/02/80/1390970280.db2.gz WPQDDAXSHOKHPQ-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM CCC[C@](C)(CC)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001397125789 1391095034 /nfs/dbraw/zinc/09/50/34/1391095034.db2.gz GCXQAEKGLHZBPN-UGSOOPFHSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)ccc1C ZINC001398935402 1394334192 /nfs/dbraw/zinc/33/41/92/1394334192.db2.gz DKDNPNCDIPXNSL-CQSZACIVSA-N -1 1 341.411 2.342 20 0 EEADMM CN(CCN(C)C(=O)[C@@H]1CCCC1(C)C)C(=O)c1ncccc1[O-] ZINC001399699799 1395419667 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CCC[C@@]1(COC)CCCN1S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001423999069 1400861824 /nfs/dbraw/zinc/86/18/24/1400861824.db2.gz VFTWFQBSQQBZLB-INIZCTEOSA-N -1 1 343.445 2.371 20 0 EEADMM CCCC1(C(=O)NC[C@H](C)N(C)C(=O)c2ncccc2[O-])CCC1 ZINC001424248334 1400990875 /nfs/dbraw/zinc/99/08/75/1400990875.db2.gz JUYXNSAZUFBEQQ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H](NC(=O)Nc1nn[nH]c1C(=O)NC1CC1)[C@H]1CCC[C@H](C)C1 ZINC001426387562 1402061089 /nfs/dbraw/zinc/06/10/89/1402061089.db2.gz LNZDOZVYZPYZSM-DCAQKATOSA-N -1 1 334.424 2.033 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(F)c1 ZINC001431223161 1403003821 /nfs/dbraw/zinc/00/38/21/1403003821.db2.gz NTAIFQXQOCRBRV-AWEZNQCLSA-N -1 1 345.374 2.111 20 0 EEADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1cccc(-c2nn[nH]n2)c1 ZINC001575338365 1403545480 /nfs/dbraw/zinc/54/54/80/1403545480.db2.gz QFJVTCOLEQUEPE-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001576571128 1403584423 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CSCc1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591699114 1403940170 /nfs/dbraw/zinc/94/01/70/1403940170.db2.gz HRJXZXROYSRJSK-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC001591889249 1403969623 /nfs/dbraw/zinc/96/96/23/1403969623.db2.gz RVHJRAWPNFOQBL-BPLDGKMQSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC001591889249 1403969627 /nfs/dbraw/zinc/96/96/27/1403969627.db2.gz RVHJRAWPNFOQBL-BPLDGKMQSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(C(F)(F)F)c(NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001591940842 1403974655 /nfs/dbraw/zinc/97/46/55/1403974655.db2.gz UHQGBQVJQSKYJA-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Cc1cc(C(F)(F)F)c(NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001591940842 1403974660 /nfs/dbraw/zinc/97/46/60/1403974660.db2.gz UHQGBQVJQSKYJA-UHFFFAOYSA-N -1 1 342.310 2.053 20 0 EEADMM Fc1cccc2c1OCCC[C@@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592661363 1404705628 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CN(C)Cc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1F ZINC001606034261 1404757970 /nfs/dbraw/zinc/75/79/70/1404757970.db2.gz XCITYWZQLGVZQI-DZGCQCFKSA-N -1 1 338.379 2.238 20 0 EEADMM Cc1nc2c(cccc2-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)[nH]1 ZINC001606082349 1404764676 /nfs/dbraw/zinc/76/46/76/1404764676.db2.gz OXILVFYSDAUHCC-UHFFFAOYSA-N -1 1 345.326 2.163 20 0 EEADMM CN(C[C@@H]1CCC(=O)N1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001606143344 1404767563 /nfs/dbraw/zinc/76/75/63/1404767563.db2.gz UMIGWKIDHSITAS-ISVAXAHUSA-N -1 1 331.199 2.330 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C=C1CCC1 ZINC001756939342 1409530689 /nfs/dbraw/zinc/53/06/89/1409530689.db2.gz KTMJXDMTBQMMOK-HIFRSBDPSA-N -1 1 343.427 2.112 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)C1CCOCC1 ZINC001771621697 1409888931 /nfs/dbraw/zinc/88/89/31/1409888931.db2.gz OZFYTOYJKNEGMR-VIFPVBQESA-N -1 1 335.372 2.067 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Cc3coc(-c4ccccc4)n3)ccnc1-2 ZINC001771692300 1409915840 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O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913746075 794211216 /nfs/dbraw/zinc/21/12/16/794211216.db2.gz IRTBBXGDQNZGLU-UONOGXRCSA-N -1 1 331.807 2.363 20 0 EEADMM CC[C@H](Cc1ccccc1C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745683 794214565 /nfs/dbraw/zinc/21/45/65/794214565.db2.gz AXNJYASEDSADAC-CQSZACIVSA-N -1 1 327.432 2.483 20 0 EEADMM O=C(NCCNc1nc(C2CCCC2)ns1)c1ncccc1[O-] ZINC001093562965 795420536 /nfs/dbraw/zinc/42/05/36/795420536.db2.gz OOVACOJFHKDGDE-UHFFFAOYSA-N -1 1 333.417 2.138 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)[C@H]1CC12CCCC2 ZINC000946535659 795584703 /nfs/dbraw/zinc/58/47/03/795584703.db2.gz GLSSONJBMWKBIS-CQSZACIVSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1cnc([C@@H](C)N2CC=C(CNC(=O)c3ncccc3[O-])CC2)o1 ZINC001000610827 796071534 /nfs/dbraw/zinc/07/15/34/796071534.db2.gz DUDCSGZXQCSTMY-CYBMUJFWSA-N -1 1 342.399 2.207 20 0 EEADMM Cc1csc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)n1 ZINC000993255056 796162686 /nfs/dbraw/zinc/16/26/86/796162686.db2.gz 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O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)nc1F ZINC000866982940 803487676 /nfs/dbraw/zinc/48/76/76/803487676.db2.gz AILBKDXOBCBULB-SNVBAGLBSA-N -1 1 332.372 2.130 20 0 EEADMM O=C(OCc1noc(C2CC2)n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787955180 807312842 /nfs/dbraw/zinc/31/28/42/807312842.db2.gz KVLBDVXFGXTIND-UHFFFAOYSA-N -1 1 344.302 2.334 20 0 EEADMM Cc1nc(C)c(C)c(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983365 807762212 /nfs/dbraw/zinc/76/22/12/807762212.db2.gz JXVKAKFZFXLRQY-VXGBXAGGSA-N -1 1 329.404 2.121 20 0 EEADMM COc1cccc2[nH]cc(CC(=O)N=c3ccnc4n(C)[n-]cc3-4)c21 ZINC000791286524 809173442 /nfs/dbraw/zinc/17/34/42/809173442.db2.gz UTZCOUUBMDGLFP-UHFFFAOYSA-N -1 1 335.367 2.013 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3ccc(Br)s3)ccnc1-2 ZINC000791286853 809174609 /nfs/dbraw/zinc/17/46/09/809174609.db2.gz SPCQXBQPFSYYPY-UHFFFAOYSA-N -1 1 337.202 2.418 20 0 EEADMM CCCC[C@H](CNc1nccnc1F)NC(=O)c1ncccc1[O-] ZINC001114241239 810664325 /nfs/dbraw/zinc/66/43/25/810664325.db2.gz 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CC[C@](C)(NCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000736861178 578227129 /nfs/dbraw/zinc/22/71/29/578227129.db2.gz HDFUPNRMSYCJFY-WMZOPIPTSA-N -1 1 336.432 2.351 20 0 EEADMM CCCc1c(C(=O)N2CCN(C3CCC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737040405 578234443 /nfs/dbraw/zinc/23/44/43/578234443.db2.gz GDRILRRONRXCAT-UHFFFAOYSA-N -1 1 333.432 2.284 20 0 EEADMM COc1ccccc1C[C@@H](C)CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737153202 578241182 /nfs/dbraw/zinc/24/11/82/578241182.db2.gz QWMNJSXQEWHSMX-CYBMUJFWSA-N -1 1 343.431 2.183 20 0 EEADMM CCOC[C@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000737164601 578241594 /nfs/dbraw/zinc/24/15/94/578241594.db2.gz WWKWOCLIMZYPQO-HNNXBMFYSA-N -1 1 349.431 2.141 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccsc2)cc1-c1nn[n-]n1 ZINC000737187245 578242865 /nfs/dbraw/zinc/24/28/65/578242865.db2.gz PCFDMVJKOJICPM-UHFFFAOYSA-N -1 1 334.386 2.003 20 0 EEADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737252432 578246164 /nfs/dbraw/zinc/24/61/64/578246164.db2.gz 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Cc1cccc(C)c1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826296840 607571535 /nfs/dbraw/zinc/57/15/35/607571535.db2.gz KYHCIZQRUCVDBP-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cccc(S(=O)(=O)Oc2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826304618 607572036 /nfs/dbraw/zinc/57/20/36/607572036.db2.gz RWBXJXJKVBXVSH-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM CCCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825308027 607608249 /nfs/dbraw/zinc/60/82/49/607608249.db2.gz SZYNQIWJRWDWPZ-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1nnc(-c2ccc(Br)o2)o1 ZINC000826542061 604444570 /nfs/dbraw/zinc/44/45/70/604444570.db2.gz HBAGPLMKPPOCBT-UHFFFAOYSA-N -1 1 344.165 2.435 20 0 EEADMM C[C@@H](Oc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1)C(=O)[O-] ZINC000833539572 604626692 /nfs/dbraw/zinc/62/66/92/604626692.db2.gz HPQCLEVVMCJOOB-CJNGLKHVSA-N -1 1 335.400 2.266 20 0 EEADMM C[C@H]1CN(c2cccc(C(=O)[O-])n2)CCN1C[C@H](O)c1ccccc1 ZINC000833634321 604713475 /nfs/dbraw/zinc/71/34/75/604713475.db2.gz GJZZSHZNDHZPCK-YOEHRIQHSA-N -1 1 341.411 2.024 20 0 EEADMM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833461889 604778828 /nfs/dbraw/zinc/77/88/28/604778828.db2.gz LHCYULOJGBLEBN-AWEZNQCLSA-N -1 1 349.818 2.444 20 0 EEADMM Cc1ccccc1-c1noc(CNC2(CC(=O)[O-])CCOCC2)n1 ZINC000832975732 604796579 /nfs/dbraw/zinc/79/65/79/604796579.db2.gz YZQZUGJCCLIZGP-UHFFFAOYSA-N -1 1 331.372 2.159 20 0 EEADMM CC(C)[C@]1(C)CC(=O)N(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1=O ZINC000833470735 604864969 /nfs/dbraw/zinc/86/49/69/604864969.db2.gz LGJYAJAFFYUETH-ACJLOTCBSA-N -1 1 338.448 2.188 20 0 EEADMM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000833540321 604898027 /nfs/dbraw/zinc/89/80/27/604898027.db2.gz SYASPYWEAKVFRT-LRDDRELGSA-N -1 1 345.399 2.113 20 0 EEADMM CC(=O)c1c(C)cc(C)c(CN2CCC([C@H](O)C(=O)[O-])CC2)c1C ZINC000833400396 604973789 /nfs/dbraw/zinc/97/37/89/604973789.db2.gz GULCCYOTILUUQT-SFHVURJKSA-N -1 1 333.428 2.472 20 0 EEADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(N2CCOCC2)c1 ZINC000832935144 605007660 /nfs/dbraw/zinc/00/76/60/605007660.db2.gz WNKXJKXRZYECGQ-GOSISDBHSA-N -1 1 341.411 2.142 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833447110 605073158 /nfs/dbraw/zinc/07/31/58/605073158.db2.gz BDKACEPAZMXHSZ-AWEZNQCLSA-N -1 1 331.372 2.013 20 0 EEADMM CC(=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1Cl ZINC000833381202 605080875 /nfs/dbraw/zinc/08/08/75/605080875.db2.gz CZHUUNZQWQFJPD-XYYIANASSA-N -1 1 333.775 2.279 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccc(F)c1 ZINC000833383385 605097087 /nfs/dbraw/zinc/09/70/87/605097087.db2.gz SLPZLOVCMWOGQE-UELRPHRMSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824227801 607743869 /nfs/dbraw/zinc/74/38/69/607743869.db2.gz BZAOLCZSJSNCMU-VIFPVBQESA-N -1 1 343.840 2.233 20 0 EEADMM CC(C)C[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824227801 607743870 /nfs/dbraw/zinc/74/38/70/607743870.db2.gz BZAOLCZSJSNCMU-VIFPVBQESA-N -1 1 343.840 2.233 20 0 EEADMM Clc1nsc(N2CCC[C@]3(CCCOC3)C2)c1-c1nnn[n-]1 ZINC000822591932 606144349 /nfs/dbraw/zinc/14/43/49/606144349.db2.gz ZENIGSRTUMRIBW-ZDUSSCGKSA-N -1 1 340.840 2.374 20 0 EEADMM Clc1nsc(N2CCC[C@]3(CCCOC3)C2)c1-c1nn[n-]n1 ZINC000822591932 606144350 /nfs/dbraw/zinc/14/43/50/606144350.db2.gz ZENIGSRTUMRIBW-ZDUSSCGKSA-N -1 1 340.840 2.374 20 0 EEADMM CCCCC1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821043370 606162159 /nfs/dbraw/zinc/16/21/59/606162159.db2.gz OICHDVUVKZABBL-UHFFFAOYSA-N -1 1 346.439 2.471 20 0 EEADMM CCCCC1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821043370 606162161 /nfs/dbraw/zinc/16/21/61/606162161.db2.gz OICHDVUVKZABBL-UHFFFAOYSA-N -1 1 346.439 2.471 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000822620540 606186448 /nfs/dbraw/zinc/18/64/48/606186448.db2.gz VVTACYUKPIPFOV-UHFFFAOYSA-N -1 1 341.375 2.030 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(OC(C)(C)C)cc2)n1 ZINC000822620540 606186449 /nfs/dbraw/zinc/18/64/49/606186449.db2.gz VVTACYUKPIPFOV-UHFFFAOYSA-N -1 1 341.375 2.030 20 0 EEADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820533324 606195576 /nfs/dbraw/zinc/19/55/76/606195576.db2.gz DMEPFJIVVUQNJC-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC(F)F)c1ccccc1 ZINC000823478098 606430813 /nfs/dbraw/zinc/43/08/13/606430813.db2.gz GJELYDAEZAKYDX-UHFFFAOYSA-N -1 1 330.298 2.174 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC(F)F)c1ccccc1 ZINC000823478098 606430814 /nfs/dbraw/zinc/43/08/14/606430814.db2.gz GJELYDAEZAKYDX-UHFFFAOYSA-N -1 1 330.298 2.174 20 0 EEADMM Clc1ccc(NC2CCC3(CC2)OCCO3)nc1-c1nnn[n-]1 ZINC000822578410 606457514 /nfs/dbraw/zinc/45/75/14/606457514.db2.gz IWMPJZNVTQRFKG-UHFFFAOYSA-N -1 1 336.783 2.013 20 0 EEADMM Clc1ccc(NC2CCC3(CC2)OCCO3)nc1-c1nn[n-]n1 ZINC000822578410 606457515 /nfs/dbraw/zinc/45/75/15/606457515.db2.gz IWMPJZNVTQRFKG-UHFFFAOYSA-N -1 1 336.783 2.013 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819827710 606486916 /nfs/dbraw/zinc/48/69/16/606486916.db2.gz VEVXKGIWCLTINE-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819827710 606486917 /nfs/dbraw/zinc/48/69/17/606486917.db2.gz VEVXKGIWCLTINE-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(C)Cc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000820109028 606488865 /nfs/dbraw/zinc/48/88/65/606488865.db2.gz ZVWUZGOKQMJGTD-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM Cc1cccc(CCCOC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822299375 606489272 /nfs/dbraw/zinc/48/92/72/606489272.db2.gz GVVYPBRNJJCMHV-UHFFFAOYSA-N -1 1 329.385 2.421 20 0 EEADMM Cc1cccc(CCCOC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822299375 606489273 /nfs/dbraw/zinc/48/92/73/606489273.db2.gz GVVYPBRNJJCMHV-UHFFFAOYSA-N -1 1 329.385 2.421 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882424 606492256 /nfs/dbraw/zinc/49/22/56/606492256.db2.gz ACXAYSDMNVZGKV-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882424 606492257 /nfs/dbraw/zinc/49/22/57/606492257.db2.gz ACXAYSDMNVZGKV-VIFPVBQESA-N -1 1 329.385 2.428 20 0 EEADMM O=C(CCSc1ccccc1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822974382 606530929 /nfs/dbraw/zinc/53/09/29/606530929.db2.gz JQSITLPQRFHXLV-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(CCSc1ccccc1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822974382 606530931 /nfs/dbraw/zinc/53/09/31/606530931.db2.gz JQSITLPQRFHXLV-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCC(F)(F)F)CC1CC1 ZINC000823478638 606550772 /nfs/dbraw/zinc/55/07/72/606550772.db2.gz NRVUKADVQMMQOZ-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCC(F)(F)F)CC1CC1 ZINC000823478638 606550774 /nfs/dbraw/zinc/55/07/74/606550774.db2.gz NRVUKADVQMMQOZ-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000823484200 606562313 /nfs/dbraw/zinc/56/23/13/606562313.db2.gz TWYVJSBZEKZHJM-SNVBAGLBSA-N -1 1 329.389 2.019 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000823484200 606562315 /nfs/dbraw/zinc/56/23/15/606562315.db2.gz TWYVJSBZEKZHJM-SNVBAGLBSA-N -1 1 329.389 2.019 20 0 EEADMM O=C(C[C@H]1CCc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822946143 606647233 /nfs/dbraw/zinc/64/72/33/606647233.db2.gz WERKWMKQDHAZEJ-CQSZACIVSA-N -1 1 335.367 2.425 20 0 EEADMM O=C(C[C@H]1CCc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822946143 606647234 /nfs/dbraw/zinc/64/72/34/606647234.db2.gz WERKWMKQDHAZEJ-CQSZACIVSA-N -1 1 335.367 2.425 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822294346 606648872 /nfs/dbraw/zinc/64/88/72/606648872.db2.gz XMIBNUSHOWYQCS-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822294346 606648873 /nfs/dbraw/zinc/64/88/73/606648873.db2.gz XMIBNUSHOWYQCS-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1 ZINC000823436506 606648989 /nfs/dbraw/zinc/64/89/89/606648989.db2.gz YPCKWWBMRILRJC-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000823436506 606648990 /nfs/dbraw/zinc/64/89/90/606648990.db2.gz YPCKWWBMRILRJC-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM Cc1cc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC000822203471 606896245 /nfs/dbraw/zinc/89/62/45/606896245.db2.gz VMAUTQDVVPVKKR-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC000822203471 606896247 /nfs/dbraw/zinc/89/62/47/606896247.db2.gz VMAUTQDVVPVKKR-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1n1ccnc1 ZINC000820727104 607046715 /nfs/dbraw/zinc/04/67/15/607046715.db2.gz GQIXEPXEZWQRKK-JQWIXIFHSA-N -1 1 344.810 2.199 20 0 EEADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1n1ccnc1 ZINC000820727104 607046716 /nfs/dbraw/zinc/04/67/16/607046716.db2.gz GQIXEPXEZWQRKK-JQWIXIFHSA-N -1 1 344.810 2.199 20 0 EEADMM COc1ccc2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)[nH]c2c1 ZINC000821854880 607106190 /nfs/dbraw/zinc/10/61/90/607106190.db2.gz ZGQPYNVMTWSODP-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM COc1ccc2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)[nH]c2c1 ZINC000821854880 607106191 /nfs/dbraw/zinc/10/61/91/607106191.db2.gz ZGQPYNVMTWSODP-UHFFFAOYSA-N -1 1 341.356 2.065 20 0 EEADMM O=C(CCc1cc(F)ccc1F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822974439 607106622 /nfs/dbraw/zinc/10/66/22/607106622.db2.gz MVPDCARPHWUBRM-UHFFFAOYSA-N -1 1 336.327 2.173 20 0 EEADMM O=C(CCc1cc(F)ccc1F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822974439 607106624 /nfs/dbraw/zinc/10/66/24/607106624.db2.gz MVPDCARPHWUBRM-UHFFFAOYSA-N -1 1 336.327 2.173 20 0 EEADMM Clc1ccc(N2CC[C@H](C3CCOCC3)C2)nc1-c1nnn[n-]1 ZINC000826351866 607851254 /nfs/dbraw/zinc/85/12/54/607851254.db2.gz DPYRMEGDRTXMDR-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CC[C@H](C3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC000826351866 607851255 /nfs/dbraw/zinc/85/12/55/607851255.db2.gz DPYRMEGDRTXMDR-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM O=C(Cc1cccc2cccnc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826423557 607997604 /nfs/dbraw/zinc/99/76/04/607997604.db2.gz VBBIOVVEIJGQQW-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM Clc1nsc(NCCCNc2ccccn2)c1-c1nn[n-]n1 ZINC000826353990 608177263 /nfs/dbraw/zinc/17/72/63/608177263.db2.gz LRSSLUQOROLQBI-UHFFFAOYSA-N -1 1 336.812 2.286 20 0 EEADMM c1cc(-c2nnn[n-]2)nnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000826514881 608393950 /nfs/dbraw/zinc/39/39/50/608393950.db2.gz GMZDLLNVGDGVMM-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1cc(-c2nn[n-]n2)nnc1Sc1n[nH]c(CCC2CCCC2)n1 ZINC000826514881 608393952 /nfs/dbraw/zinc/39/39/52/608393952.db2.gz GMZDLLNVGDGVMM-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2cccnc2)cc1 ZINC000826520444 608412770 /nfs/dbraw/zinc/41/27/70/608412770.db2.gz JOYNIDKNUFZSRY-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2cccnc2)cc1 ZINC000826520444 608412772 /nfs/dbraw/zinc/41/27/72/608412772.db2.gz JOYNIDKNUFZSRY-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826377471 608423412 /nfs/dbraw/zinc/42/34/12/608423412.db2.gz TVAYVWXNOVJCSV-HQJQHLMTSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826377471 608423414 /nfs/dbraw/zinc/42/34/14/608423414.db2.gz TVAYVWXNOVJCSV-HQJQHLMTSA-N -1 1 331.742 2.417 20 0 EEADMM c1cc(CN(Cc2ccccc2)c2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC000826521574 608584878 /nfs/dbraw/zinc/58/48/78/608584878.db2.gz RFAURIZBAVTGAE-UHFFFAOYSA-N -1 1 332.371 2.192 20 0 EEADMM c1cc(CN(Cc2ccccc2)c2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC000826521574 608584879 /nfs/dbraw/zinc/58/48/79/608584879.db2.gz RFAURIZBAVTGAE-UHFFFAOYSA-N -1 1 332.371 2.192 20 0 EEADMM CC(C)c1ccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000824347666 608889772 /nfs/dbraw/zinc/88/97/72/608889772.db2.gz JRKRHANXYFCRJZ-UHFFFAOYSA-N -1 1 336.359 2.285 20 0 EEADMM CC(C)c1ccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000824347666 608889773 /nfs/dbraw/zinc/88/97/73/608889773.db2.gz JRKRHANXYFCRJZ-UHFFFAOYSA-N -1 1 336.359 2.285 20 0 EEADMM O=C(CC1CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403803 609289464 /nfs/dbraw/zinc/28/94/64/609289464.db2.gz DAQBGPYVFYEAKZ-UHFFFAOYSA-N -1 1 341.350 2.320 20 0 EEADMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866850743 674671665 /nfs/dbraw/zinc/67/16/65/674671665.db2.gz ZGCUTSKHFUJSGL-NSHDSACASA-N -1 1 327.233 2.074 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CC(Cc3ccoc3)C2)c(=O)[n-]1 ZINC000890569076 674820157 /nfs/dbraw/zinc/82/01/57/674820157.db2.gz WKSKGHAJADZKEW-UHFFFAOYSA-N -1 1 347.440 2.439 20 0 EEADMM Cc1ncccc1CCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000890833627 675670441 /nfs/dbraw/zinc/67/04/41/675670441.db2.gz AFZRRWCNAJYHCI-UHFFFAOYSA-N -1 1 328.416 2.464 20 0 EEADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1ccc2ccc(O)cc2c1[O-] ZINC000891280142 676292711 /nfs/dbraw/zinc/29/27/11/676292711.db2.gz JZSHVDHKBLSYAJ-HNAYVOBHSA-N -1 1 340.379 2.182 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@@H]1CCOC1 ZINC000052171997 678889170 /nfs/dbraw/zinc/88/91/70/678889170.db2.gz PJBVZXPCIBXPGJ-GFCCVEGCSA-N -1 1 327.402 2.032 20 0 EEADMM Cc1ccc2cccc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)c2n1 ZINC000909540992 685420489 /nfs/dbraw/zinc/42/04/89/685420489.db2.gz HRTMDXYQURUCHL-CQSZACIVSA-N -1 1 327.384 2.278 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937361784 681345342 /nfs/dbraw/zinc/34/53/42/681345342.db2.gz AGPZVCJBKWPZEU-QLFBSQMISA-N -1 1 345.443 2.334 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937213435 681690289 /nfs/dbraw/zinc/69/02/89/681690289.db2.gz WOSCEJAGYSPMRP-CABCVRRESA-N -1 1 343.427 2.254 20 0 EEADMM CC1(CC(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001025016351 681726896 /nfs/dbraw/zinc/72/68/96/681726896.db2.gz SJKGYGZGBHZHDS-CQSZACIVSA-N -1 1 349.479 2.342 20 0 EEADMM CC1(C)C(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)C1(C)C ZINC000982593469 681742205 /nfs/dbraw/zinc/74/22/05/681742205.db2.gz HKTSWKFAPQTIHG-GFCCVEGCSA-N -1 1 345.443 2.048 20 0 EEADMM Cc1csc(C(=O)NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000982672489 681999826 /nfs/dbraw/zinc/99/98/26/681999826.db2.gz IJJMIHXRPAGYTC-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000983221637 682040891 /nfs/dbraw/zinc/04/08/91/682040891.db2.gz KMHDEHUTCSWTOV-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000973197294 682294708 /nfs/dbraw/zinc/29/47/08/682294708.db2.gz BBMDVRIIFCKAHF-MGPQQGTHSA-N -1 1 343.427 2.135 20 0 EEADMM C[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C[C@@H](C)C1 ZINC000973200034 682297539 /nfs/dbraw/zinc/29/75/39/682297539.db2.gz WQOFAJQFMGECNA-AZOBVAEKSA-N -1 1 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CNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001609291529 1351923356 /nfs/dbraw/zinc/92/33/56/1351923356.db2.gz NDBXUFLRVFEYFN-UHFFFAOYSA-N -1 1 328.307 2.005 20 0 EEADMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)O1 ZINC001328708221 1334503906 /nfs/dbraw/zinc/50/39/06/1334503906.db2.gz FVSHEJMMQSAVHL-HTQZYQBOSA-N -1 1 325.217 2.234 20 0 EEADMM COc1ccc(CNc2n[nH]c(C)c2-c2nnn[n-]2)c(Cl)c1OC ZINC001609355902 1351944963 /nfs/dbraw/zinc/94/49/63/1351944963.db2.gz WZSQIUYUFCZIGR-UHFFFAOYSA-N -1 1 349.782 2.181 20 0 EEADMM COc1ccc(CNc2n[nH]c(C)c2-c2nn[n-]n2)c(Cl)c1OC ZINC001609355902 1351944966 /nfs/dbraw/zinc/94/49/66/1351944966.db2.gz WZSQIUYUFCZIGR-UHFFFAOYSA-N -1 1 349.782 2.181 20 0 EEADMM COc1ccccc1COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609364098 1351948254 /nfs/dbraw/zinc/94/82/54/1351948254.db2.gz SPLOFOZVEPCONY-UHFFFAOYSA-N -1 1 328.303 2.371 20 0 EEADMM COc1ccccc1COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609364098 1351948257 /nfs/dbraw/zinc/94/82/57/1351948257.db2.gz SPLOFOZVEPCONY-UHFFFAOYSA-N -1 1 328.303 2.371 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2ccccc2-n2cccn2)n1 ZINC001609392570 1351957456 /nfs/dbraw/zinc/95/74/56/1351957456.db2.gz VTZVUBMTCIIGFT-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2ccccc2-n2cccn2)n1 ZINC001609392570 1351957458 /nfs/dbraw/zinc/95/74/58/1351957458.db2.gz VTZVUBMTCIIGFT-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1ccc(-c2cnc(Cn3cc(-c4nn[n-]n4)ccc3=O)o2)cc1 ZINC001609413829 1351966602 /nfs/dbraw/zinc/96/66/02/1351966602.db2.gz WLTXULFOTYMABO-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC001609467598 1351988717 /nfs/dbraw/zinc/98/87/17/1351988717.db2.gz MSDOOMSHGPUDGX-CYBMUJFWSA-N -1 1 339.355 2.412 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC001609467598 1351988718 /nfs/dbraw/zinc/98/87/18/1351988718.db2.gz MSDOOMSHGPUDGX-CYBMUJFWSA-N -1 1 339.355 2.412 20 0 EEADMM Clc1nsc(N2CCN(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC001609474622 1351990738 /nfs/dbraw/zinc/99/07/38/1351990738.db2.gz JUTNVEPCOOKBLH-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Clc1nsc(N2CCN(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC001609474622 1351990741 /nfs/dbraw/zinc/99/07/41/1351990741.db2.gz JUTNVEPCOOKBLH-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Fc1ccc([C@H]2COCCN2Cc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001609490276 1351996299 /nfs/dbraw/zinc/99/62/99/1351996299.db2.gz LLMFIDNFAWEINB-CYBMUJFWSA-N -1 1 346.391 2.036 20 0 EEADMM Fc1ccc([C@H]2COCCN2Cc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001609490276 1351996301 /nfs/dbraw/zinc/99/63/01/1351996301.db2.gz LLMFIDNFAWEINB-CYBMUJFWSA-N -1 1 346.391 2.036 20 0 EEADMM FC1(c2ccccc2)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001609486753 1351994706 /nfs/dbraw/zinc/99/47/06/1351994706.db2.gz ZNHWVRKNXXYYIX-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM FC1(c2ccccc2)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001609486753 1351994709 /nfs/dbraw/zinc/99/47/09/1351994709.db2.gz ZNHWVRKNXXYYIX-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM O=C(Cc1cnc2ccccc2c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001609537146 1352009107 /nfs/dbraw/zinc/00/91/07/1352009107.db2.gz TXDHRYIQPQJEES-UHFFFAOYSA-N -1 1 346.350 2.096 20 0 EEADMM O=C(Cc1cnc2ccccc2c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001609537146 1352009110 /nfs/dbraw/zinc/00/91/10/1352009110.db2.gz TXDHRYIQPQJEES-UHFFFAOYSA-N -1 1 346.350 2.096 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1CCC3(CCCC3)O1)CCC2 ZINC001609604490 1352032481 /nfs/dbraw/zinc/03/24/81/1352032481.db2.gz SRMKCUGPRDEYDR-ZDUSSCGKSA-N -1 1 341.415 2.009 20 0 EEADMM c1csc(-c2nc3ccccc3c(-n3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC001609619973 1352043086 /nfs/dbraw/zinc/04/30/86/1352043086.db2.gz ISYQRVUZLLZJLK-UHFFFAOYSA-N -1 1 347.367 2.119 20 0 EEADMM CC(C)O[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001609709542 1352064860 /nfs/dbraw/zinc/06/48/60/1352064860.db2.gz RGQLXGIDILHJCX-YOEHRIQHSA-N -1 1 348.443 2.279 20 0 EEADMM C[C@@](CNC(=O)[C@H](N)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001609744660 1352074703 /nfs/dbraw/zinc/07/47/03/1352074703.db2.gz YUSWDIMXBGUYSO-QAPCUYQASA-N -1 1 346.814 2.499 20 0 EEADMM C[C@H](NCC(=O)NC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001609771399 1352080895 /nfs/dbraw/zinc/08/08/95/1352080895.db2.gz CRMZYKOSERGIFN-ZDUSSCGKSA-N -1 1 334.416 2.250 20 0 EEADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1CN1C(=S)N=NC1CCC1CCCC1 ZINC001609832725 1352096614 /nfs/dbraw/zinc/09/66/14/1352096614.db2.gz GXZZAVKCWGZUOG-YPMHNXCESA-N -1 1 338.477 2.442 20 0 EEADMM CCCCCc1nnc(N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)n1C ZINC001339186972 1336972550 /nfs/dbraw/zinc/97/25/50/1336972550.db2.gz CFLBKXFVSRHVHV-CQSZACIVSA-N -1 1 347.385 2.195 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001609927571 1352121844 /nfs/dbraw/zinc/12/18/44/1352121844.db2.gz ZROYPJXYWOPJNV-BBRMVZONSA-N -1 1 329.400 2.099 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001609942189 1352125197 /nfs/dbraw/zinc/12/51/97/1352125197.db2.gz UUUKATFUPANASZ-UONOGXRCSA-N -1 1 349.431 2.244 20 0 EEADMM CC1=CCN(c2nnc(-c3c[n-][nH]c3=O)n2C[C@@H]2CCCCO2)CC1 ZINC001344663165 1337408192 /nfs/dbraw/zinc/40/81/92/1337408192.db2.gz WELNMYFMGPQUEN-ZDUSSCGKSA-N -1 1 344.419 2.099 20 0 EEADMM CCN(C(C)=O)c1nc(CN[C@H](CC(C)(C)C)C(=O)[O-])cs1 ZINC001609989477 1352135393 /nfs/dbraw/zinc/13/53/93/1352135393.db2.gz ILGYNAUVROWCEC-GFCCVEGCSA-N -1 1 327.450 2.495 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001610001414 1352138113 /nfs/dbraw/zinc/13/81/13/1352138113.db2.gz RNHGRCABZXSTGX-UHFFFAOYSA-N -1 1 348.378 2.055 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)[C@H](C)[C@@H]1OC ZINC001348204110 1337545541 /nfs/dbraw/zinc/54/55/41/1337545541.db2.gz YQTVPVSIHSTCER-AXTRIDKLSA-N -1 1 339.461 2.349 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC001351180561 1337793430 /nfs/dbraw/zinc/79/34/30/1337793430.db2.gz UXLCSAURQTZZTJ-JTQLQIEISA-N -1 1 331.397 2.075 20 0 EEADMM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCOCC1 ZINC001351804992 1337851769 /nfs/dbraw/zinc/85/17/69/1337851769.db2.gz AWODXVDIHSWRGX-UHFFFAOYSA-N -1 1 336.816 2.359 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1ccnc(C(C)(C)C)n1 ZINC001100501033 1338445325 /nfs/dbraw/zinc/44/53/25/1338445325.db2.gz QEISPGSXARQFCW-UHFFFAOYSA-N -1 1 343.431 2.131 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=O)c1F ZINC001200676992 1338522228 /nfs/dbraw/zinc/52/22/28/1338522228.db2.gz WDNRRTCNOTUPNM-UHFFFAOYSA-N -1 1 344.349 2.117 20 0 EEADMM CCO/C=C/[C@](O)(CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000848177652 1338554529 /nfs/dbraw/zinc/55/45/29/1338554529.db2.gz JHFMQLVWXJGIMZ-YBJDMEARSA-N -1 1 337.269 2.105 20 0 EEADMM COCCN(C[C@H](O)C(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000848262523 1338622716 /nfs/dbraw/zinc/62/27/16/1338622716.db2.gz ZMEXGPNBUURKJE-JTQLQIEISA-N -1 1 341.713 2.057 20 0 EEADMM C[C@@H](CNCc1nc(N(C)C)n(-c2ccccc2)c1Cl)C(=O)[O-] ZINC000848639690 1338734888 /nfs/dbraw/zinc/73/48/88/1338734888.db2.gz JDSKYSCQEZLBKW-NSHDSACASA-N -1 1 336.823 2.402 20 0 EEADMM Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001610457106 1352225635 /nfs/dbraw/zinc/22/56/35/1352225635.db2.gz AFEIHFDDYDOPRP-UHFFFAOYSA-N -1 1 347.396 2.090 20 0 EEADMM Cc1cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)ccc1Br ZINC001610461640 1352226912 /nfs/dbraw/zinc/22/69/12/1352226912.db2.gz MJQBEWCOCPUJJL-VXGBXAGGSA-N -1 1 328.206 2.025 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@H]2NCCc3ccccc32)C(=O)[O-])cc1 ZINC001610492053 1352232565 /nfs/dbraw/zinc/23/25/65/1352232565.db2.gz UXLCJJSDMWPCOE-MSOLQXFVSA-N -1 1 338.407 2.166 20 0 EEADMM Cc1ccccc1C(=O)NC1CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001610528481 1352239401 /nfs/dbraw/zinc/23/94/01/1352239401.db2.gz UZAYIAISULIQRB-UHFFFAOYSA-N -1 1 341.411 2.416 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CCOC[C@@H]2CC2CCC2)cc1 ZINC001610837086 1352282948 /nfs/dbraw/zinc/28/29/48/1352282948.db2.gz VARRCZRXRIONQJ-IRXDYDNUSA-N -1 1 349.427 2.016 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429956246 1340068337 /nfs/dbraw/zinc/06/83/37/1340068337.db2.gz RIGPAQIAANTQTD-ZIAGYGMSSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)NC(=S)N[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000015667608 1352340843 /nfs/dbraw/zinc/34/08/43/1352340843.db2.gz KONWXINOMHRCCC-UHFFFAOYSA-N -1 1 338.414 2.327 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001432961253 1341446514 /nfs/dbraw/zinc/44/65/14/1341446514.db2.gz GMFZFAUQWGBRKV-IHRRRGAJSA-N -1 1 333.432 2.096 20 0 EEADMM CCC(CC)(NC(=O)[C@H](C)OCc1ccc(F)cc1)c1nn[n-]n1 ZINC001433970768 1341734122 /nfs/dbraw/zinc/73/41/22/1341734122.db2.gz VWTWQDINLDEHQY-NSHDSACASA-N -1 1 335.383 2.076 20 0 EEADMM O=S(=O)([N-]Cc1cccc2c1OCC2)c1cccc(F)c1F ZINC001434633393 1341892031 /nfs/dbraw/zinc/89/20/31/1341892031.db2.gz BNWKVNLTURIHPS-UHFFFAOYSA-N -1 1 325.336 2.378 20 0 EEADMM CCC(=O)N1CCCC[C@H]1CCNc1snc(C)c1-c1nn[n-]n1 ZINC001576420531 1344012499 /nfs/dbraw/zinc/01/24/99/1344012499.db2.gz WLRORHJGDWXOHJ-NSHDSACASA-N -1 1 349.464 2.225 20 0 EEADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577202825 1344103555 /nfs/dbraw/zinc/10/35/55/1344103555.db2.gz LCVVKTOWGKCVRN-RNFRBKRXSA-N -1 1 343.844 2.082 20 0 EEADMM CCCC(=O)N[C@H](C)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577202825 1344103557 /nfs/dbraw/zinc/10/35/57/1344103557.db2.gz LCVVKTOWGKCVRN-RNFRBKRXSA-N -1 1 343.844 2.082 20 0 EEADMM CCCc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001577739715 1344189140 /nfs/dbraw/zinc/18/91/40/1344189140.db2.gz XHLUVUUJKNGPME-UHFFFAOYSA-N -1 1 334.357 2.180 20 0 EEADMM CCN(C)c1nnc(C2CCCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577872059 1344208568 /nfs/dbraw/zinc/20/85/68/1344208568.db2.gz UKGAENIXINQXLR-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CCN(C)c1nnc(C2CCCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577872059 1344208570 /nfs/dbraw/zinc/20/85/70/1344208570.db2.gz UKGAENIXINQXLR-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579253666 1344358485 /nfs/dbraw/zinc/35/84/85/1344358485.db2.gz UBZYVDDZVMZUJB-UHFFFAOYSA-N -1 1 345.313 2.204 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579253666 1344358491 /nfs/dbraw/zinc/35/84/91/1344358491.db2.gz UBZYVDDZVMZUJB-UHFFFAOYSA-N -1 1 345.313 2.204 20 0 EEADMM COc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC001579935254 1344435594 /nfs/dbraw/zinc/43/55/94/1344435594.db2.gz OKQKBCIXAHEURI-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ncc(NC(=O)C2=CCC(C)(C)CC2)cc1-c1nn[n-]n1 ZINC001580133810 1344478101 /nfs/dbraw/zinc/47/81/01/1344478101.db2.gz ZNDGITOTPMTJFZ-UHFFFAOYSA-N -1 1 328.376 2.345 20 0 EEADMM COc1ncc(NC(=O)Cc2ccc(C)c(C)c2)cc1-c1nn[n-]n1 ZINC001580134404 1344479053 /nfs/dbraw/zinc/47/90/53/1344479053.db2.gz CTCLZEVYRFDKEH-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM C[C@@]12CSC[C@@H]1CN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001580391855 1344516429 /nfs/dbraw/zinc/51/64/29/1344516429.db2.gz SQGGFYQXFMACJH-UPONEAKYSA-N -1 1 328.854 2.166 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)n1C(C)C ZINC001580870758 1344566692 /nfs/dbraw/zinc/56/66/92/1344566692.db2.gz ODLZWFYCEGRRPM-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)n1C(C)C ZINC001580870758 1344566695 /nfs/dbraw/zinc/56/66/95/1344566695.db2.gz ODLZWFYCEGRRPM-UHFFFAOYSA-N -1 1 339.403 2.191 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCCC1(F)F ZINC001582549891 1344760808 /nfs/dbraw/zinc/76/08/08/1344760808.db2.gz LSDCULPUMFARPG-QMMMGPOBSA-N -1 1 342.375 2.163 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOc2cccc(F)c21 ZINC001582744951 1344788599 /nfs/dbraw/zinc/78/85/99/1344788599.db2.gz OWHXJOQXGZRBFX-UHFFFAOYSA-N -1 1 331.332 2.107 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(-c2c[nH]cn2)cc1 ZINC001586106275 1348840472 /nfs/dbraw/zinc/84/04/72/1348840472.db2.gz XGBRKGYGXAIJOA-MRXNPFEDSA-N -1 1 345.366 2.109 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001589095747 1348958885 /nfs/dbraw/zinc/95/88/85/1348958885.db2.gz MRUPKQWCEKRTQD-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001589095747 1348958887 /nfs/dbraw/zinc/95/88/87/1348958887.db2.gz MRUPKQWCEKRTQD-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)OC(=O)C1(C(=O)OCc2ccc(-c3nnn[n-]3)o2)CCC1 ZINC001589144984 1348966029 /nfs/dbraw/zinc/96/60/29/1348966029.db2.gz BUMNVTMKYDEYNP-UHFFFAOYSA-N -1 1 348.359 2.015 20 0 EEADMM CC(C)(C)OC(=O)C1(C(=O)OCc2ccc(-c3nn[n-]n3)o2)CCC1 ZINC001589144984 1348966035 /nfs/dbraw/zinc/96/60/35/1348966035.db2.gz BUMNVTMKYDEYNP-UHFFFAOYSA-N -1 1 348.359 2.015 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589198222 1348969706 /nfs/dbraw/zinc/96/97/06/1348969706.db2.gz ASFWLGWPWBCUIH-LBPRGKRZSA-N -1 1 343.435 2.318 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589198222 1348969708 /nfs/dbraw/zinc/96/97/08/1348969708.db2.gz ASFWLGWPWBCUIH-LBPRGKRZSA-N -1 1 343.435 2.318 20 0 EEADMM CC(C)(CC(F)(F)F)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001589269848 1348976880 /nfs/dbraw/zinc/97/68/80/1348976880.db2.gz IYDAHDAIRHPTTR-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CC(C)(CC(F)(F)F)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001589269848 1348976883 /nfs/dbraw/zinc/97/68/83/1348976883.db2.gz IYDAHDAIRHPTTR-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CC(C)=CC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001589367527 1348986806 /nfs/dbraw/zinc/98/68/06/1348986806.db2.gz IJVULJLTTVPLCA-NSHDSACASA-N -1 1 349.464 2.151 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589476941 1348994252 /nfs/dbraw/zinc/99/42/52/1348994252.db2.gz XABDFUDXKKBSDD-QMMMGPOBSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589476941 1348994257 /nfs/dbraw/zinc/99/42/57/1348994257.db2.gz XABDFUDXKKBSDD-QMMMGPOBSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589507396 1348998626 /nfs/dbraw/zinc/99/86/26/1348998626.db2.gz JLUQSRHCGMYNMZ-AWEZNQCLSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589507396 1348998627 /nfs/dbraw/zinc/99/86/27/1348998627.db2.gz JLUQSRHCGMYNMZ-AWEZNQCLSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)CC1(C)CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589565801 1349004986 /nfs/dbraw/zinc/00/49/86/1349004986.db2.gz FUNFCOXFFYNNDN-UHFFFAOYSA-N -1 1 342.447 2.479 20 0 EEADMM CC(C)CC1(C)CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589565801 1349004993 /nfs/dbraw/zinc/00/49/93/1349004993.db2.gz FUNFCOXFFYNNDN-UHFFFAOYSA-N -1 1 342.447 2.479 20 0 EEADMM CC(C)Cn1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C1CC1 ZINC001589671158 1349017632 /nfs/dbraw/zinc/01/76/32/1349017632.db2.gz WHZRXNDMWWXKDJ-UHFFFAOYSA-N -1 1 325.380 2.130 20 0 EEADMM CC(C)Cn1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C1CC1 ZINC001589671158 1349017635 /nfs/dbraw/zinc/01/76/35/1349017635.db2.gz WHZRXNDMWWXKDJ-UHFFFAOYSA-N -1 1 325.380 2.130 20 0 EEADMM CC(C)Cn1ncc(Nc2ccnc(-c3nnn[n-]3)c2)c1C(F)F ZINC001589671169 1349017872 /nfs/dbraw/zinc/01/78/72/1349017872.db2.gz XAWOBDNULQEJNG-UHFFFAOYSA-N -1 1 334.334 2.217 20 0 EEADMM CC(C)Cn1ncc(Nc2ccnc(-c3nn[n-]n3)c2)c1C(F)F ZINC001589671169 1349017876 /nfs/dbraw/zinc/01/78/76/1349017876.db2.gz XAWOBDNULQEJNG-UHFFFAOYSA-N -1 1 334.334 2.217 20 0 EEADMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001589754638 1349029635 /nfs/dbraw/zinc/02/96/35/1349029635.db2.gz PURFMUYDVKSCBU-UHFFFAOYSA-N -1 1 347.766 2.283 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]2CCO[C@@H]21 ZINC001590076556 1349139961 /nfs/dbraw/zinc/13/99/61/1349139961.db2.gz FIFIGFAGWNHCSY-NJUXHZRNSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]2CCO[C@@H]21 ZINC001590076556 1349139964 /nfs/dbraw/zinc/13/99/64/1349139964.db2.gz FIFIGFAGWNHCSY-NJUXHZRNSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)o2)C[C@@H](C(F)(F)F)O1 ZINC001590104717 1349158621 /nfs/dbraw/zinc/15/86/21/1349158621.db2.gz SXVSIIPBDPSIFE-JTQLQIEISA-N -1 1 331.298 2.001 20 0 EEADMM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)o2)C[C@@H](C(F)(F)F)O1 ZINC001590104717 1349158631 /nfs/dbraw/zinc/15/86/31/1349158631.db2.gz SXVSIIPBDPSIFE-JTQLQIEISA-N -1 1 331.298 2.001 20 0 EEADMM CC1(C)Cc2nc(Cn3cc(-c4nn[n-]n4)nn3)sc2C(C)(C)C1 ZINC001590114150 1349161985 /nfs/dbraw/zinc/16/19/85/1349161985.db2.gz HJYUNIFRPPSLQE-UHFFFAOYSA-N -1 1 344.448 2.213 20 0 EEADMM CC1(CC(F)(F)F)CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590122989 1349164699 /nfs/dbraw/zinc/16/46/99/1349164699.db2.gz DQNAGRPENXVZRP-UHFFFAOYSA-N -1 1 343.284 2.420 20 0 EEADMM CC1(CC(F)(F)F)CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590122989 1349164704 /nfs/dbraw/zinc/16/47/04/1349164704.db2.gz DQNAGRPENXVZRP-UHFFFAOYSA-N -1 1 343.284 2.420 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590226604 1349213365 /nfs/dbraw/zinc/21/33/65/1349213365.db2.gz QUQLDPVJZJCCJY-XBFCOCLRSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590226604 1349213372 /nfs/dbraw/zinc/21/33/72/1349213372.db2.gz QUQLDPVJZJCCJY-XBFCOCLRSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590245242 1349223506 /nfs/dbraw/zinc/22/35/06/1349223506.db2.gz YENHDOVOVMFMKE-RKDXNWHRSA-N -1 1 336.346 2.053 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590245242 1349223512 /nfs/dbraw/zinc/22/35/12/1349223512.db2.gz YENHDOVOVMFMKE-RKDXNWHRSA-N -1 1 336.346 2.053 20 0 EEADMM CC/C(C)=C\C(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001590392695 1349301758 /nfs/dbraw/zinc/30/17/58/1349301758.db2.gz KSNQETWQJHTTSV-WBHJMADESA-N -1 1 347.448 2.072 20 0 EEADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590423465 1349317052 /nfs/dbraw/zinc/31/70/52/1349317052.db2.gz YOBONHKLHHUBGJ-ZETCQYMHSA-N -1 1 344.297 2.187 20 0 EEADMM CCC(CC)CCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590433938 1349324494 /nfs/dbraw/zinc/32/44/94/1349324494.db2.gz QTKIKTBKQGMHFY-UHFFFAOYSA-N -1 1 341.437 2.297 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(C)cc1 ZINC001590454479 1349331614 /nfs/dbraw/zinc/33/16/14/1349331614.db2.gz LVIXOMZFNQHZDZ-OAHLLOKOSA-N -1 1 336.399 2.380 20 0 EEADMM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(C)cc1 ZINC001590454479 1349331621 /nfs/dbraw/zinc/33/16/21/1349331621.db2.gz LVIXOMZFNQHZDZ-OAHLLOKOSA-N -1 1 336.399 2.380 20 0 EEADMM CC[C@H](NC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001590457817 1349335321 /nfs/dbraw/zinc/33/53/21/1349335321.db2.gz VGCABUVIDAVDHU-ZDUSSCGKSA-N -1 1 345.407 2.361 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590483282 1349351316 /nfs/dbraw/zinc/35/13/16/1349351316.db2.gz LRFCZCWLXIQWLT-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590483282 1349351319 /nfs/dbraw/zinc/35/13/19/1349351319.db2.gz LRFCZCWLXIQWLT-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CCC1(C)CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590490287 1349353368 /nfs/dbraw/zinc/35/33/68/1349353368.db2.gz VGJOEVHCVFTJTO-UHFFFAOYSA-N -1 1 341.462 2.129 20 0 EEADMM CCCN(C(=O)[C@@H](CC)OCC)c1snc(C)c1-c1nnn[n-]1 ZINC001590616253 1349376637 /nfs/dbraw/zinc/37/66/37/1349376637.db2.gz VROGHBQGTHCFAN-SNVBAGLBSA-N -1 1 338.437 2.190 20 0 EEADMM CCCN(C(=O)[C@@H](CC)OCC)c1snc(C)c1-c1nn[n-]n1 ZINC001590616253 1349376639 /nfs/dbraw/zinc/37/66/39/1349376639.db2.gz VROGHBQGTHCFAN-SNVBAGLBSA-N -1 1 338.437 2.190 20 0 EEADMM CCO[C@H](CNc1cc(-c2nnn[n-]2)nc(CC)n1)c1ccccc1 ZINC001590785163 1349399358 /nfs/dbraw/zinc/39/93/58/1349399358.db2.gz DWJBPIFMVYCDLD-CQSZACIVSA-N -1 1 339.403 2.409 20 0 EEADMM CCO[C@H](CNc1cc(-c2nn[n-]n2)nc(CC)n1)c1ccccc1 ZINC001590785163 1349399364 /nfs/dbraw/zinc/39/93/64/1349399364.db2.gz DWJBPIFMVYCDLD-CQSZACIVSA-N -1 1 339.403 2.409 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590850646 1349404980 /nfs/dbraw/zinc/40/49/80/1349404980.db2.gz MBPIEBDFBAGSAY-PWSUYJOCSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590850646 1349404985 /nfs/dbraw/zinc/40/49/85/1349404985.db2.gz MBPIEBDFBAGSAY-PWSUYJOCSA-N -1 1 347.448 2.448 20 0 EEADMM CCS(=O)(=O)c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001590850342 1349405884 /nfs/dbraw/zinc/40/58/84/1349405884.db2.gz SJTBWEGYEMCQQC-UHFFFAOYSA-N -1 1 349.441 2.334 20 0 EEADMM CCc1nc(NCCCNc2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001590918361 1349413280 /nfs/dbraw/zinc/41/32/80/1349413280.db2.gz AKTZGPLMNDRZQE-UHFFFAOYSA-N -1 1 342.382 2.272 20 0 EEADMM CCc1nc(NCCCNc2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001590918361 1349413284 /nfs/dbraw/zinc/41/32/84/1349413284.db2.gz AKTZGPLMNDRZQE-UHFFFAOYSA-N -1 1 342.382 2.272 20 0 EEADMM CCc1nn(C[C@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929565 1349416450 /nfs/dbraw/zinc/41/64/50/1349416450.db2.gz DIWADUJYISIJSI-VXGBXAGGSA-N -1 1 330.436 2.375 20 0 EEADMM CN(c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C)C1CCCCC1 ZINC001591161418 1349443846 /nfs/dbraw/zinc/44/38/46/1349443846.db2.gz HNBCNTDWXQKQGH-UHFFFAOYSA-N -1 1 328.380 2.024 20 0 EEADMM CN(c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C)C1CCCCC1 ZINC001591161418 1349443849 /nfs/dbraw/zinc/44/38/49/1349443849.db2.gz HNBCNTDWXQKQGH-UHFFFAOYSA-N -1 1 328.380 2.024 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nnn[n-]2)cs1 ZINC001591289484 1349455451 /nfs/dbraw/zinc/45/54/51/1349455451.db2.gz WPLJLBFCQRXXCD-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COC(=O)c1cc(COc2cccc(F)c2-c2nn[n-]n2)cs1 ZINC001591289484 1349455458 /nfs/dbraw/zinc/45/54/58/1349455458.db2.gz WPLJLBFCQRXXCD-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H]2CCCCC2(C)C)c1 ZINC001591286605 1349455970 /nfs/dbraw/zinc/45/59/70/1349455970.db2.gz LQRDJUMRHWTKIH-LBPRGKRZSA-N -1 1 345.403 2.031 20 0 EEADMM COc1ccccc1C(C)(C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591646798 1349523939 /nfs/dbraw/zinc/52/39/39/1349523939.db2.gz MKPYQYBAQCBNTH-UHFFFAOYSA-N -1 1 327.344 2.133 20 0 EEADMM COc1ccccc1C(C)(C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591646798 1349523947 /nfs/dbraw/zinc/52/39/47/1349523947.db2.gz MKPYQYBAQCBNTH-UHFFFAOYSA-N -1 1 327.344 2.133 20 0 EEADMM Cc1cc(C)c(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c(C)n1 ZINC001591944968 1349566094 /nfs/dbraw/zinc/56/60/94/1349566094.db2.gz RQYOXGXCVHDLIQ-UHFFFAOYSA-N -1 1 349.398 2.175 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)cc(-c2nnn[n-]2)n1 ZINC001592043668 1349587384 /nfs/dbraw/zinc/58/73/84/1349587384.db2.gz JFPWTOPICVQTDG-GXSJLCMTSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)cc(-c2nn[n-]n2)n1 ZINC001592043668 1349587388 /nfs/dbraw/zinc/58/73/88/1349587388.db2.gz JFPWTOPICVQTDG-GXSJLCMTSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cccc(C)c1OCCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001592228427 1349612139 /nfs/dbraw/zinc/61/21/39/1349612139.db2.gz XQYROQFELIBWBB-UHFFFAOYSA-N -1 1 326.360 2.121 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC001592226786 1349612307 /nfs/dbraw/zinc/61/23/07/1349612307.db2.gz IYSMHWKBSNFRLZ-AWEZNQCLSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC001592226786 1349612310 /nfs/dbraw/zinc/61/23/10/1349612310.db2.gz IYSMHWKBSNFRLZ-AWEZNQCLSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3coc(-c4nnn[n-]4)c3)cc2)n1 ZINC001592263909 1349614011 /nfs/dbraw/zinc/61/40/11/1349614011.db2.gz KRKQGDCFJQYUGF-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1ccn(-c2ccc(NC(=O)c3coc(-c4nn[n-]n4)c3)cc2)n1 ZINC001592263909 1349614020 /nfs/dbraw/zinc/61/40/20/1349614020.db2.gz KRKQGDCFJQYUGF-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1csc([C@@H](C)CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592313554 1349619847 /nfs/dbraw/zinc/61/98/47/1349619847.db2.gz AAXJQUKSYWNSDW-ZETCQYMHSA-N -1 1 334.430 2.227 20 0 EEADMM Cc1csc([C@@H](C)CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592313554 1349619852 /nfs/dbraw/zinc/61/98/52/1349619852.db2.gz AAXJQUKSYWNSDW-ZETCQYMHSA-N -1 1 334.430 2.227 20 0 EEADMM Cc1nc(NCC(C)(C)c2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001592384303 1349625807 /nfs/dbraw/zinc/62/58/07/1349625807.db2.gz QUIXQFZJMNDMOY-UHFFFAOYSA-N -1 1 327.367 2.494 20 0 EEADMM Cc1nc(NCC(C)(C)c2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001592384303 1349625808 /nfs/dbraw/zinc/62/58/08/1349625808.db2.gz QUIXQFZJMNDMOY-UHFFFAOYSA-N -1 1 327.367 2.494 20 0 EEADMM Cc1nsc(NC[C@H]2CC[C@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001592488582 1349636127 /nfs/dbraw/zinc/63/61/27/1349636127.db2.gz JGOSGKJIBDHHRZ-RNFRBKRXSA-N -1 1 334.327 2.153 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H](C3CCC3)CC2)c1-c1nnn[n-]1 ZINC001592516023 1349644501 /nfs/dbraw/zinc/64/45/01/1349644501.db2.gz PUWALPXYXWLEPK-ZDUSSCGKSA-N -1 1 344.419 2.134 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H](C3CCC3)CC2)c1-c1nn[n-]n1 ZINC001592516023 1349644502 /nfs/dbraw/zinc/64/45/02/1349644502.db2.gz PUWALPXYXWLEPK-ZDUSSCGKSA-N -1 1 344.419 2.134 20 0 EEADMM Clc1cccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)c1 ZINC001592534381 1349650528 /nfs/dbraw/zinc/65/05/28/1349650528.db2.gz MJXJOLIRGWYHSY-HNNXBMFYSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1cccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)c1 ZINC001592534381 1349650529 /nfs/dbraw/zinc/65/05/29/1349650529.db2.gz MJXJOLIRGWYHSY-HNNXBMFYSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccccc1[C@H]1CN(c2cccnc2-c2nnn[n-]2)CCO1 ZINC001592536037 1349651156 /nfs/dbraw/zinc/65/11/56/1349651156.db2.gz JXXIOEKQMZADPK-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccccc1[C@H]1CN(c2cccnc2-c2nn[n-]n2)CCO1 ZINC001592536037 1349651158 /nfs/dbraw/zinc/65/11/58/1349651158.db2.gz JXXIOEKQMZADPK-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC001592560644 1349658863 /nfs/dbraw/zinc/65/88/63/1349658863.db2.gz LOLCHWYTZHLOLO-HAQNSBGRSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC001592560644 1349658864 /nfs/dbraw/zinc/65/88/64/1349658864.db2.gz LOLCHWYTZHLOLO-HAQNSBGRSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cncc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC001592589842 1349663248 /nfs/dbraw/zinc/66/32/48/1349663248.db2.gz SGOYVEKWLBGCQL-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM Cn1cncc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC001592589842 1349663256 /nfs/dbraw/zinc/66/32/56/1349663256.db2.gz SGOYVEKWLBGCQL-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM FC(F)(F)C1=CCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001592613624 1349670246 /nfs/dbraw/zinc/67/02/46/1349670246.db2.gz HTGFWZKZSGUIKM-UHFFFAOYSA-N -1 1 337.309 2.233 20 0 EEADMM FC(F)(F)C1=CCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001592613624 1349670251 /nfs/dbraw/zinc/67/02/51/1349670251.db2.gz HTGFWZKZSGUIKM-UHFFFAOYSA-N -1 1 337.309 2.233 20 0 EEADMM FC(F)(F)SCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592618473 1349673628 /nfs/dbraw/zinc/67/36/28/1349673628.db2.gz UWCZNDRRYXAANQ-UHFFFAOYSA-N -1 1 341.322 2.378 20 0 EEADMM FC(F)(F)c1cccc2c1CCN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001592621964 1349677000 /nfs/dbraw/zinc/67/70/00/1349677000.db2.gz HYIDLXVJSKRGDE-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1cccc2c1CCN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001592621964 1349677003 /nfs/dbraw/zinc/67/70/03/1349677003.db2.gz HYIDLXVJSKRGDE-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM Fc1cccc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)c2ccccn2)c1 ZINC001592655258 1349700479 /nfs/dbraw/zinc/70/04/79/1349700479.db2.gz QCJIYYVQNKZKKP-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)c2ccccn2)c1 ZINC001592655258 1349700483 /nfs/dbraw/zinc/70/04/83/1349700483.db2.gz QCJIYYVQNKZKKP-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc(SCc2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC001592657787 1349701582 /nfs/dbraw/zinc/70/15/82/1349701582.db2.gz ATPAPCLSPAANAC-UHFFFAOYSA-N -1 1 331.380 2.226 20 0 EEADMM Fc1cccc(O[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001592658151 1349702965 /nfs/dbraw/zinc/70/29/65/1349702965.db2.gz LAFDEQAJHXPMTB-CQSZACIVSA-N -1 1 326.335 2.059 20 0 EEADMM Fc1cccc(O[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001592658151 1349702969 /nfs/dbraw/zinc/70/29/69/1349702969.db2.gz LAFDEQAJHXPMTB-CQSZACIVSA-N -1 1 326.335 2.059 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001592995717 1349733004 /nfs/dbraw/zinc/73/30/04/1349733004.db2.gz ISSRRLWWKCDUQI-GFCCVEGCSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001592995717 1349733005 /nfs/dbraw/zinc/73/30/05/1349733005.db2.gz ISSRRLWWKCDUQI-GFCCVEGCSA-N -1 1 331.376 2.071 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1coc(-c2nnn[n-]2)c1 ZINC001593183066 1349745236 /nfs/dbraw/zinc/74/52/36/1349745236.db2.gz IBHXUTRBBMNLKP-ZDUSSCGKSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1coc(-c2nn[n-]n2)c1 ZINC001593183066 1349745241 /nfs/dbraw/zinc/74/52/41/1349745241.db2.gz IBHXUTRBBMNLKP-ZDUSSCGKSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593286570 1349763787 /nfs/dbraw/zinc/76/37/87/1349763787.db2.gz KKMHCIOODSLRCK-UHFFFAOYSA-N -1 1 326.181 2.204 20 0 EEADMM O=C(OCCC(F)(F)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593286570 1349763791 /nfs/dbraw/zinc/76/37/91/1349763791.db2.gz KKMHCIOODSLRCK-UHFFFAOYSA-N -1 1 326.181 2.204 20 0 EEADMM O=C(c1ccnc(C2CC2)c1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593358340 1349789683 /nfs/dbraw/zinc/78/96/83/1349789683.db2.gz NIBRXSBVYYVWNO-UHFFFAOYSA-N -1 1 347.382 2.127 20 0 EEADMM O=C(c1ccnc(C2CC2)c1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593358340 1349789686 /nfs/dbraw/zinc/78/96/86/1349789686.db2.gz NIBRXSBVYYVWNO-UHFFFAOYSA-N -1 1 347.382 2.127 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001593367527 1349792079 /nfs/dbraw/zinc/79/20/79/1349792079.db2.gz LOSFHYWQQKLFRY-MGPQQGTHSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC001593367527 1349792082 /nfs/dbraw/zinc/79/20/82/1349792082.db2.gz LOSFHYWQQKLFRY-MGPQQGTHSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(c2ccncc2)CC1 ZINC001593371530 1349792374 /nfs/dbraw/zinc/79/23/74/1349792374.db2.gz SSBLMVMQRKIFGB-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C1CCCN1c1ccccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001593394841 1349796756 /nfs/dbraw/zinc/79/67/56/1349796756.db2.gz ZCWJCQXQYDJXEC-UHFFFAOYSA-N -1 1 341.400 2.062 20 0 EEADMM O=C1CCCN1c1ccccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001593394841 1349796760 /nfs/dbraw/zinc/79/67/60/1349796760.db2.gz ZCWJCQXQYDJXEC-UHFFFAOYSA-N -1 1 341.400 2.062 20 0 EEADMM c1ccc(O[C@@H]2CCOC2)c(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001593557163 1349848069 /nfs/dbraw/zinc/84/80/69/1349848069.db2.gz LUFJFMCNPNQALU-CYBMUJFWSA-N -1 1 338.371 2.042 20 0 EEADMM c1ccc(O[C@@H]2CCOC2)c(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001593557163 1349848073 /nfs/dbraw/zinc/84/80/73/1349848073.db2.gz LUFJFMCNPNQALU-CYBMUJFWSA-N -1 1 338.371 2.042 20 0 EEADMM c1nnc(CSc2cccnc2-c2nnn[n-]2)n1-c1ccccc1 ZINC001593569915 1349854824 /nfs/dbraw/zinc/85/48/24/1349854824.db2.gz KCLHMWGKIIGUBK-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1nnc(CSc2cccnc2-c2nn[n-]n2)n1-c1ccccc1 ZINC001593569915 1349854830 /nfs/dbraw/zinc/85/48/30/1349854830.db2.gz KCLHMWGKIIGUBK-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)c2ccccn2)cc1 ZINC001593571188 1349856301 /nfs/dbraw/zinc/85/63/01/1349856301.db2.gz REWZKOSTQDHAHD-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)c2ccccn2)cc1 ZINC001593571188 1349856304 /nfs/dbraw/zinc/85/63/04/1349856304.db2.gz REWZKOSTQDHAHD-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1cn(CCc2ccccc2)c(CNc2cccnc2-c2nnn[n-]2)n1 ZINC001593575579 1349859826 /nfs/dbraw/zinc/85/98/26/1349859826.db2.gz VPIAZCKTPCCYOY-UHFFFAOYSA-N -1 1 346.398 2.313 20 0 EEADMM c1cn(CCc2ccccc2)c(CNc2cccnc2-c2nn[n-]n2)n1 ZINC001593575579 1349859830 /nfs/dbraw/zinc/85/98/30/1349859830.db2.gz VPIAZCKTPCCYOY-UHFFFAOYSA-N -1 1 346.398 2.313 20 0 EEADMM COc1cccc(-c2cc(CNC(=O)c3ncccc3[O-])on2)c1 ZINC001597652946 1349929661 /nfs/dbraw/zinc/92/96/61/1349929661.db2.gz WSSZCOCHNJWVFQ-UHFFFAOYSA-N -1 1 325.324 2.381 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cccnc2OCC(F)F)n1C ZINC001599994156 1349951570 /nfs/dbraw/zinc/95/15/70/1349951570.db2.gz QIJJOMLFJQYZCR-UHFFFAOYSA-N -1 1 339.342 2.360 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001600013058 1349955557 /nfs/dbraw/zinc/95/55/57/1349955557.db2.gz XWSDGUVENCZBSR-UTUOFQBUSA-N -1 1 327.812 2.126 20 0 EEADMM Cc1cc(NC(=O)c2cccc(-c3nnc[nH]3)c2)nc(C)c1C(=O)[O-] ZINC001600275863 1350008550 /nfs/dbraw/zinc/00/85/50/1350008550.db2.gz FLWRXAZSVZENLX-UHFFFAOYSA-N -1 1 337.339 2.434 20 0 EEADMM Cc1ccc(-c2noc(CN3CCSC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001600319246 1350019509 /nfs/dbraw/zinc/01/95/09/1350019509.db2.gz CIJQGADKSNRYKJ-ZDUSSCGKSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2sc(CN)nc2C1 ZINC001600359982 1350029716 /nfs/dbraw/zinc/02/97/16/1350029716.db2.gz UNRBOEWCFHEWND-UHFFFAOYSA-N -1 1 346.412 2.199 20 0 EEADMM Cc1ccc2nc(NC(=O)CN(C)[C@H]3C[C@@H](C(=O)[O-])C3)sc2c1 ZINC001600502698 1350067600 /nfs/dbraw/zinc/06/76/00/1350067600.db2.gz RPTVNXGBKUAUJV-PHIMTYICSA-N -1 1 333.413 2.338 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(CCCO)C(C)C ZINC001600652807 1350108197 /nfs/dbraw/zinc/10/81/97/1350108197.db2.gz ZGTBIQVQXMTQKU-NSHDSACASA-N -1 1 328.434 2.175 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)CC(C)(C)CO ZINC001600652694 1350108122 /nfs/dbraw/zinc/10/81/22/1350108122.db2.gz YDLZZLAXRQNKOM-SNVBAGLBSA-N -1 1 328.434 2.032 20 0 EEADMM Cc1n[nH]c(CCNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)n1 ZINC001600698613 1350118206 /nfs/dbraw/zinc/11/82/06/1350118206.db2.gz MEIRBQSBWRWZFO-UHFFFAOYSA-N -1 1 339.355 2.329 20 0 EEADMM Cc1nc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)sc1C(=O)[O-] ZINC001600713066 1350119810 /nfs/dbraw/zinc/11/98/10/1350119810.db2.gz LJDOWXCCQXZZGS-UHFFFAOYSA-N -1 1 329.341 2.187 20 0 EEADMM Cc1nc2ccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)cc2o1 ZINC001600727534 1350122147 /nfs/dbraw/zinc/12/21/47/1350122147.db2.gz SXVHCIXESCLCKE-UHFFFAOYSA-N -1 1 333.325 2.030 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)cc2s1 ZINC001600726136 1350122197 /nfs/dbraw/zinc/12/21/97/1350122197.db2.gz JHZYLTNKLAZAFP-LLVKDONJSA-N -1 1 347.440 2.226 20 0 EEADMM Cc1nn(C)c(Cl)c1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001600772353 1350133023 /nfs/dbraw/zinc/13/30/23/1350133023.db2.gz RCCRNURCHIVCQD-CQSZACIVSA-N -1 1 335.791 2.232 20 0 EEADMM NC(=O)[C@@H](F)C1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001601139904 1350219467 /nfs/dbraw/zinc/21/94/67/1350219467.db2.gz YXXVJHGXRSOIJL-QWHCGFSZSA-N -1 1 346.761 2.140 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC001601305068 1350252817 /nfs/dbraw/zinc/25/28/17/1350252817.db2.gz IUZMUBDYPWZADH-LBPRGKRZSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC001601306641 1350253516 /nfs/dbraw/zinc/25/35/16/1350253516.db2.gz WXOBXNXVFRESHW-AVGNSLFASA-N -1 1 337.807 2.249 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3ccc(O)c(F)c3)[nH]c21 ZINC001601362045 1350266353 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/nfs/dbraw/zinc/08/15/27/1351081527.db2.gz PUWMWRGLMDKJAV-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCc1cccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001605133464 1351084132 /nfs/dbraw/zinc/08/41/32/1351084132.db2.gz FXPXOGSHCPOEHS-UHFFFAOYSA-N -1 1 328.328 2.272 20 0 EEADMM COCc1cccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001605133464 1351084136 /nfs/dbraw/zinc/08/41/36/1351084136.db2.gz FXPXOGSHCPOEHS-UHFFFAOYSA-N -1 1 328.328 2.272 20 0 EEADMM COCc1cc(O)ccc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001605132994 1351084435 /nfs/dbraw/zinc/08/44/35/1351084435.db2.gz YMWXXJURTUBYAZ-UHFFFAOYSA-N -1 1 343.318 2.110 20 0 EEADMM COCc1cc(O)ccc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001605132994 1351084437 /nfs/dbraw/zinc/08/44/37/1351084437.db2.gz YMWXXJURTUBYAZ-UHFFFAOYSA-N -1 1 343.318 2.110 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605143225 1351087036 /nfs/dbraw/zinc/08/70/36/1351087036.db2.gz KUPSUWCUFRZDRI-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605143225 1351087040 /nfs/dbraw/zinc/08/70/40/1351087040.db2.gz KUPSUWCUFRZDRI-UHFFFAOYSA-N -1 1 344.762 2.119 20 0 EEADMM COc1c(Cl)cccc1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605155412 1351090205 /nfs/dbraw/zinc/09/02/05/1351090205.db2.gz BDLYADVJUORXHM-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1c(Cl)cccc1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605155412 1351090210 /nfs/dbraw/zinc/09/02/10/1351090210.db2.gz BDLYADVJUORXHM-UHFFFAOYSA-N -1 1 333.735 2.052 20 0 EEADMM COc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)c2ccccc2n1 ZINC001605220095 1351107049 /nfs/dbraw/zinc/10/70/49/1351107049.db2.gz NUDIZMTXNXKOJR-UHFFFAOYSA-N -1 1 348.370 2.134 20 0 EEADMM COc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)c2ccccc2n1 ZINC001605220095 1351107051 /nfs/dbraw/zinc/10/70/51/1351107051.db2.gz NUDIZMTXNXKOJR-UHFFFAOYSA-N -1 1 348.370 2.134 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)n2)cc1C ZINC001605306067 1351132067 /nfs/dbraw/zinc/13/20/67/1351132067.db2.gz KYHHDZSQWLRFCR-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)n2)cc1C ZINC001605306067 1351132070 /nfs/dbraw/zinc/13/20/70/1351132070.db2.gz KYHHDZSQWLRFCR-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM COc1ncc(NC(=O)c2cc(CC(C)C)c[nH]2)cc1-c1nn[n-]n1 ZINC001605346048 1351142179 /nfs/dbraw/zinc/14/21/79/1351142179.db2.gz JLRAEYWOURLTSQ-UHFFFAOYSA-N -1 1 341.375 2.049 20 0 EEADMM CSCc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001605376894 1351148156 /nfs/dbraw/zinc/14/81/56/1351148156.db2.gz UJRZYIVBQZSTHM-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001605376894 1351148159 /nfs/dbraw/zinc/14/81/59/1351148159.db2.gz UJRZYIVBQZSTHM-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM Cc1cc(Cl)ccc1OC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001605669191 1351213803 /nfs/dbraw/zinc/21/38/03/1351213803.db2.gz YEVGTVYXBNTROM-UHFFFAOYSA-N -1 1 345.746 2.457 20 0 EEADMM CCOc1cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)ccc1O ZINC001605671633 1351214705 /nfs/dbraw/zinc/21/47/05/1351214705.db2.gz ZFZRQVSQDVKYHZ-GFCCVEGCSA-N -1 1 331.372 2.310 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001605842539 1351233754 /nfs/dbraw/zinc/23/37/54/1351233754.db2.gz VUFGZDLIORDERZ-QMMMGPOBSA-N -1 1 331.401 2.499 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001605842539 1351233757 /nfs/dbraw/zinc/23/37/57/1351233757.db2.gz VUFGZDLIORDERZ-QMMMGPOBSA-N -1 1 331.401 2.499 20 0 EEADMM Cc1ccc(CCCNC(=O)c2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC001605844153 1351234350 /nfs/dbraw/zinc/23/43/50/1351234350.db2.gz WEZTXCQFFVDAJW-UHFFFAOYSA-N -1 1 325.372 2.439 20 0 EEADMM Cc1ccc(CCCNC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001605844153 1351234354 /nfs/dbraw/zinc/23/43/54/1351234354.db2.gz WEZTXCQFFVDAJW-UHFFFAOYSA-N -1 1 325.372 2.439 20 0 EEADMM Cc1nsc(N(C)CCOc2cccc(C)c2)c1-c1nn[n-]n1 ZINC001605923520 1351254741 /nfs/dbraw/zinc/25/47/41/1351254741.db2.gz ODYNDCDRUKUVCS-UHFFFAOYSA-N -1 1 330.417 2.455 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605936235 1351256096 /nfs/dbraw/zinc/25/60/96/1351256096.db2.gz JXHWSYMEOKVTNS-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605936235 1351256098 /nfs/dbraw/zinc/25/60/98/1351256098.db2.gz JXHWSYMEOKVTNS-UHFFFAOYSA-N -1 1 325.372 2.476 20 0 EEADMM Cc1[nH]nc(NCc2c(Cl)n(C)nc2C(C)C)c1-c1nnn[n-]1 ZINC001606013814 1351263519 /nfs/dbraw/zinc/26/35/19/1351263519.db2.gz KKDRVUPRAJYFIY-UHFFFAOYSA-N -1 1 335.803 2.021 20 0 EEADMM Cc1[nH]nc(NCc2c(Cl)n(C)nc2C(C)C)c1-c1nn[n-]n1 ZINC001606013814 1351263522 /nfs/dbraw/zinc/26/35/22/1351263522.db2.gz KKDRVUPRAJYFIY-UHFFFAOYSA-N -1 1 335.803 2.021 20 0 EEADMM Cc1nsc(NCCCN(C)C(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001606157713 1351279336 /nfs/dbraw/zinc/27/93/36/1351279336.db2.gz CHAVLKZSVVHBBB-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Clc1nsc(N[C@H]2CCO[C@@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001606200752 1351284797 /nfs/dbraw/zinc/28/47/97/1351284797.db2.gz DJLYKIFGYMHKIE-JGVFFNPUSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@H]2CCO[C@@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001606200752 1351284798 /nfs/dbraw/zinc/28/47/98/1351284798.db2.gz DJLYKIFGYMHKIE-JGVFFNPUSA-N -1 1 326.813 2.346 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC1CCC(C2CCC2)CC1 ZINC001606595541 1351329342 /nfs/dbraw/zinc/32/93/42/1351329342.db2.gz YSYALCKCPNXURO-UHFFFAOYSA-N -1 1 340.431 2.279 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC1CCC(C2CCC2)CC1 ZINC001606595541 1351329345 /nfs/dbraw/zinc/32/93/45/1351329345.db2.gz YSYALCKCPNXURO-UHFFFAOYSA-N -1 1 340.431 2.279 20 0 EEADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606598274 1351329366 /nfs/dbraw/zinc/32/93/66/1351329366.db2.gz MAXSEUPJTMOXRI-UHFFFAOYSA-N -1 1 345.366 2.234 20 0 EEADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606598274 1351329369 /nfs/dbraw/zinc/32/93/69/1351329369.db2.gz MAXSEUPJTMOXRI-UHFFFAOYSA-N -1 1 345.366 2.234 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccsc1-c1nnn[n-]1 ZINC001606686320 1351342635 /nfs/dbraw/zinc/34/26/35/1351342635.db2.gz TZPQXRYYYYRIAD-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccsc1-c1nn[n-]n1 ZINC001606686320 1351342638 /nfs/dbraw/zinc/34/26/38/1351342638.db2.gz TZPQXRYYYYRIAD-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1csc2ccccc12 ZINC001606841982 1351366160 /nfs/dbraw/zinc/36/61/60/1351366160.db2.gz AGXYWXYQWSOHHS-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1csc2ccccc12 ZINC001606841982 1351366164 /nfs/dbraw/zinc/36/61/64/1351366164.db2.gz AGXYWXYQWSOHHS-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@H]1CCCC(F)(F)C1 ZINC001606892480 1351370483 /nfs/dbraw/zinc/37/04/83/1351370483.db2.gz LTZGDZFZAWUZHC-QMMMGPOBSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1(c2ccccc2)CCC1 ZINC001606934048 1351379395 /nfs/dbraw/zinc/37/93/95/1351379395.db2.gz USKBGFFMXVVPKW-UHFFFAOYSA-N -1 1 335.371 2.463 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1(c2ccccc2)CCC1 ZINC001606934048 1351379398 /nfs/dbraw/zinc/37/93/98/1351379398.db2.gz USKBGFFMXVVPKW-UHFFFAOYSA-N -1 1 335.371 2.463 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001606934175 1351379658 /nfs/dbraw/zinc/37/96/58/1351379658.db2.gz WPVGUWAOMIHJLD-GRYCIOLGSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001606934175 1351379660 /nfs/dbraw/zinc/37/96/60/1351379660.db2.gz WPVGUWAOMIHJLD-GRYCIOLGSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(CCCO)c1)c1ccsc1-c1nnn[n-]1 ZINC001606934740 1351379984 /nfs/dbraw/zinc/37/99/84/1351379984.db2.gz KETKURTWMVTBBY-UHFFFAOYSA-N -1 1 329.385 2.105 20 0 EEADMM O=C(Nc1cccc(CCCO)c1)c1ccsc1-c1nn[n-]n1 ZINC001606934740 1351379986 /nfs/dbraw/zinc/37/99/86/1351379986.db2.gz KETKURTWMVTBBY-UHFFFAOYSA-N -1 1 329.385 2.105 20 0 EEADMM O=C(Nc1nnc(-c2ccco2)s1)c1ccsc1-c1nnn[n-]1 ZINC001606954561 1351383680 /nfs/dbraw/zinc/38/36/80/1351383680.db2.gz RSCLGOHYCSDETK-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C(Nc1nnc(-c2ccco2)s1)c1ccsc1-c1nn[n-]n1 ZINC001606954561 1351383682 /nfs/dbraw/zinc/38/36/82/1351383682.db2.gz RSCLGOHYCSDETK-UHFFFAOYSA-N -1 1 345.369 2.292 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCCC(F)(F)C1 ZINC001606993882 1351394134 /nfs/dbraw/zinc/39/41/34/1351394134.db2.gz BQMHJRMHJREFGT-UHFFFAOYSA-N -1 1 332.314 2.219 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC001607025952 1351400497 /nfs/dbraw/zinc/40/04/97/1351400497.db2.gz QVAAEQRZJZWIDY-OAHLLOKOSA-N -1 1 338.346 2.378 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC001607025952 1351400500 /nfs/dbraw/zinc/40/05/00/1351400500.db2.gz QVAAEQRZJZWIDY-OAHLLOKOSA-N -1 1 338.346 2.378 20 0 EEADMM c1cnc2nc([C@@H]3CCN(c4cccc(-c5nnn[n-]5)n4)C3)ccc2c1 ZINC001607116345 1351424562 /nfs/dbraw/zinc/42/45/62/1351424562.db2.gz HDPULYWDIHDIIS-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM c1cnc2nc([C@@H]3CCN(c4cccc(-c5nn[n-]n5)n4)C3)ccc2c1 ZINC001607116345 1351424565 /nfs/dbraw/zinc/42/45/65/1351424565.db2.gz HDPULYWDIHDIIS-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM c1nc(-c2nn[n-]n2)nn1CCOC(c1ccccc1)c1ccccc1 ZINC001607126188 1351429530 /nfs/dbraw/zinc/42/95/30/1351429530.db2.gz GSVOOSFPXHFPMX-UHFFFAOYSA-N -1 1 347.382 2.264 20 0 EEADMM c1ccc(O[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)cc1 ZINC001607130978 1351433351 /nfs/dbraw/zinc/43/33/51/1351433351.db2.gz PMCNOWSHYMZMRY-CQSZACIVSA-N -1 1 349.398 2.192 20 0 EEADMM c1ccc(O[C@@H]2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)cc1 ZINC001607130978 1351433353 /nfs/dbraw/zinc/43/33/53/1351433353.db2.gz PMCNOWSHYMZMRY-CQSZACIVSA-N -1 1 349.398 2.192 20 0 EEADMM COc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])c(OC)c1OC ZINC001607259576 1351460432 /nfs/dbraw/zinc/46/04/32/1351460432.db2.gz XERDTHNQOVJFAO-VIFPVBQESA-N -1 1 337.294 2.208 20 0 EEADMM COc1cccc2c1CC[C@@]2(CO)NCc1csc(C(=O)[O-])c1 ZINC001607333365 1351476614 /nfs/dbraw/zinc/47/66/14/1351476614.db2.gz CPBULWJCEPENAK-KRWDZBQOSA-N -1 1 333.409 2.379 20 0 EEADMM COc1cccnc1CN[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001607349142 1351480134 /nfs/dbraw/zinc/48/01/34/1351480134.db2.gz TXLQMTOIGMXDKV-GFCCVEGCSA-N -1 1 343.383 2.295 20 0 EEADMM Cc1[nH]c(C(=O)CN2CC[C@@H](C3CCOCC3)C2)c(C)c1C(=O)[O-] ZINC001607486809 1351502768 /nfs/dbraw/zinc/50/27/68/1351502768.db2.gz XAAFYGCCEWNAPU-CQSZACIVSA-N -1 1 334.416 2.261 20 0 EEADMM Cc1c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc2cncn21 ZINC001607508243 1351507560 /nfs/dbraw/zinc/50/75/60/1351507560.db2.gz AKKJCRZTPMMXNL-INIZCTEOSA-N -1 1 341.342 2.208 20 0 EEADMM Cc1cc(C)cc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)CC2)c1 ZINC001607626129 1351528277 /nfs/dbraw/zinc/52/82/77/1351528277.db2.gz VEYMZFHBQHVCHO-INIZCTEOSA-N -1 1 344.455 2.342 20 0 EEADMM Cc1cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc(C)c1OCC(=O)[O-] ZINC001607642054 1351531538 /nfs/dbraw/zinc/53/15/38/1351531538.db2.gz TVJQKKOVFBYWHO-DNVCBOLYSA-N -1 1 349.427 2.147 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001607921434 1351586156 /nfs/dbraw/zinc/58/61/56/1351586156.db2.gz YWBHHBYRHRHXBB-UHFFFAOYSA-N -1 1 344.302 2.392 20 0 EEADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(C(=O)[O-])s2)[nH]n1 ZINC001607996761 1351600245 /nfs/dbraw/zinc/60/02/45/1351600245.db2.gz JCAAUNMVOKFUEL-UHFFFAOYSA-N -1 1 345.384 2.439 20 0 EEADMM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1coc(CN)c1 ZINC001608086974 1351622387 /nfs/dbraw/zinc/62/23/87/1351622387.db2.gz VSMPJBIUXFYURS-AWEZNQCLSA-N -1 1 331.372 2.142 20 0 EEADMM O=C([O-])c1cnn(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC001608375762 1351681625 /nfs/dbraw/zinc/68/16/25/1351681625.db2.gz INUNFVSINJZUQF-UHFFFAOYSA-N -1 1 335.270 2.034 20 0 EEADMM CC(C)NC(=S)N[N-]C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000031574686 1352380175 /nfs/dbraw/zinc/38/01/75/1352380175.db2.gz IVKFBVIBZRHAPL-UHFFFAOYSA-N -1 1 337.836 2.247 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N(c2nnc(Cc3nnn[n-]3)n2CC(C)C)C1 ZINC001649186764 1352381065 /nfs/dbraw/zinc/38/10/65/1352381065.db2.gz KKRXRENZCAZNOX-CHWSQXEVSA-N -1 1 332.456 2.053 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N(c2nnc(Cc3nn[n-]n3)n2CC(C)C)C1 ZINC001649186764 1352381066 /nfs/dbraw/zinc/38/10/66/1352381066.db2.gz KKRXRENZCAZNOX-CHWSQXEVSA-N -1 1 332.456 2.053 20 0 EEADMM CCc1nn(C)cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001641484390 1352722026 /nfs/dbraw/zinc/72/20/26/1352722026.db2.gz JYNXPEKYGNGBEY-UHFFFAOYSA-N -1 1 346.778 2.379 20 0 EEADMM CCc1nn(C)cc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001641484390 1352722027 /nfs/dbraw/zinc/72/20/27/1352722027.db2.gz JYNXPEKYGNGBEY-UHFFFAOYSA-N -1 1 346.778 2.379 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@@H]1CCO[C@@H](C)C1 ZINC001647137757 1353158711 /nfs/dbraw/zinc/15/87/11/1353158711.db2.gz WHIJGMIQNQVVNU-WDEREUQCSA-N -1 1 349.399 2.457 20 0 EEADMM O=C(Nc1ccccc1-c1ncco1)N1CCC(c2nn[n-]n2)CC1 ZINC001663615917 1355000562 /nfs/dbraw/zinc/00/05/62/1355000562.db2.gz LLFQMNWWKOJKKE-UHFFFAOYSA-N -1 1 339.359 2.266 20 0 EEADMM COC(=O)c1ccnc(C)c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195047872 1368501976 /nfs/dbraw/zinc/50/19/76/1368501976.db2.gz JCLOYSRGSIRTRD-UHFFFAOYSA-N -1 1 330.482 2.257 20 0 EEADMM CSc1nc(NC(=O)c2cc(-c3cccn3C)on2)cc(=O)[n-]1 ZINC001195988754 1368581211 /nfs/dbraw/zinc/58/12/11/1368581211.db2.gz CCMLFFZJFNBVEL-UHFFFAOYSA-N -1 1 331.357 2.150 20 0 EEADMM Cn1cc2c(cccc2NS(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198778540 1368645495 /nfs/dbraw/zinc/64/54/95/1368645495.db2.gz GJZWRZRFUMQWFF-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867383795 1368789844 /nfs/dbraw/zinc/78/98/44/1368789844.db2.gz IHUSFLZXJKBFCT-NSHDSACASA-N -1 1 341.383 2.445 20 0 EEADMM C[C@@H](Oc1cccnc1)C(=O)Nc1nc(Br)ccc1[O-] ZINC000121590448 1368819629 /nfs/dbraw/zinc/81/96/29/1368819629.db2.gz IYTJVBVBCLLQOP-MRVPVSSYSA-N -1 1 338.161 2.351 20 0 EEADMM O=S(=O)(Cc1ccccc1Br)[N-]C(CF)CF ZINC000885414120 1368881109 /nfs/dbraw/zinc/88/11/09/1368881109.db2.gz SWQGEIDYKMGAIC-UHFFFAOYSA-N 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O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc([O-])cn1 ZINC001362259657 1373384727 /nfs/dbraw/zinc/38/47/27/1373384727.db2.gz WGOZHBSFIVWFEN-CQSZACIVSA-N -1 1 345.786 2.366 20 0 EEADMM CSc1nc(CNC(=O)c2c([O-])cccc2Cl)cc(=O)[nH]1 ZINC001363630192 1373540236 /nfs/dbraw/zinc/54/02/36/1373540236.db2.gz JMUOREHKTQYQDC-UHFFFAOYSA-N -1 1 325.777 2.193 20 0 EEADMM COC(=O)CC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCCC1 ZINC001365119457 1373670568 /nfs/dbraw/zinc/67/05/68/1373670568.db2.gz FBFPROUXELJTPA-UHFFFAOYSA-N -1 1 349.431 2.467 20 0 EEADMM CCCC1(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)CCC1 ZINC001369564006 1374574729 /nfs/dbraw/zinc/57/47/29/1374574729.db2.gz NZTQYVGIOVJNTN-LBPRGKRZSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001371120458 1375242931 /nfs/dbraw/zinc/24/29/31/1375242931.db2.gz JVNITXHZKXRDIM-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])cc(C)c1F ZINC001373459459 1376512659 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/nfs/dbraw/zinc/54/96/05/1390549605.db2.gz SYICYNUKXKQCPK-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM CCC[C@](C)(CC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001417024297 1390912863 /nfs/dbraw/zinc/91/28/63/1390912863.db2.gz USXBHXNNIIMZBM-UGSOOPFHSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001397899420 1391541358 /nfs/dbraw/zinc/54/13/58/1391541358.db2.gz QRZLYHNXAMOTBX-AWEZNQCLSA-N -1 1 341.411 2.088 20 0 EEADMM CC[C@H](CC(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001399357160 1395003009 /nfs/dbraw/zinc/00/30/09/1395003009.db2.gz SACDLJYBFAFQQR-ZIAGYGMSSA-N -1 1 335.448 2.342 20 0 EEADMM CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC001399759926 1395491929 /nfs/dbraw/zinc/49/19/29/1395491929.db2.gz VFDUQYJBUYRITL-UONOGXRCSA-N -1 1 331.416 2.040 20 0 EEADMM CC[C@H](CNC(=O)c1[nH]nc(C)c1[O-])NCc1cc(F)ccc1F ZINC001400815330 1396607654 /nfs/dbraw/zinc/60/76/54/1396607654.db2.gz ROIQFZYMPPKWPR-GFCCVEGCSA-N -1 1 338.358 2.000 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)CNCc2c(F)cccc2Cl)c1[O-] ZINC001401679513 1397510612 /nfs/dbraw/zinc/51/06/12/1397510612.db2.gz QIRKEKPUIPDVCY-QMMMGPOBSA-N -1 1 340.786 2.124 20 0 EEADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)CCC1CCCCC1 ZINC001423697238 1400753727 /nfs/dbraw/zinc/75/37/27/1400753727.db2.gz PDYXEHLYIFZOFC-NSHDSACASA-N -1 1 343.449 2.224 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])ccc1F ZINC001425045573 1401409305 /nfs/dbraw/zinc/40/93/05/1401409305.db2.gz RONNXEPGBYJNAH-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001425077242 1401433822 /nfs/dbraw/zinc/43/38/22/1401433822.db2.gz KUVJOHDHQVXQJX-NEPJUHHUSA-N -1 1 348.447 2.073 20 0 EEADMM C[C@H](NC(=O)Nc1nn[nH]c1C(=O)NC1CC1)[C@@H]1CCC[C@H](C)C1 ZINC001426387576 1402061156 /nfs/dbraw/zinc/06/11/56/1402061156.db2.gz LNZDOZVYZPYZSM-GARJFASQSA-N -1 1 334.424 2.033 20 0 EEADMM CC(C)[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001427395566 1402393315 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EEADMM CCOc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c(F)c1 ZINC001578397975 1403746700 /nfs/dbraw/zinc/74/67/00/1403746700.db2.gz HCZBNJKSBDRTFL-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(Br)c2)c1 ZINC001580608694 1403862618 /nfs/dbraw/zinc/86/26/18/1403862618.db2.gz HKFSWXNXIUFCHR-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM CO[C@H](Cc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001591334134 1403905397 /nfs/dbraw/zinc/90/53/97/1403905397.db2.gz QJSRULGKCWAGGB-CYBMUJFWSA-N -1 1 344.396 2.229 20 0 EEADMM COCc1ccsc1C(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591459806 1403914840 /nfs/dbraw/zinc/91/48/40/1403914840.db2.gz OFBSTNNWFYXEAF-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM COCc1ccsc1C(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591459806 1403914845 /nfs/dbraw/zinc/91/48/45/1403914845.db2.gz OFBSTNNWFYXEAF-UHFFFAOYSA-N -1 1 336.402 2.092 20 0 EEADMM CSCc1cccc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001591699483 1403941887 /nfs/dbraw/zinc/94/18/87/1403941887.db2.gz 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ZINC001592494731 1404703990 /nfs/dbraw/zinc/70/39/90/1404703990.db2.gz IAFXSKFAJZIPBD-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM O=C(NCCOC1CCCCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593096616 1404741373 /nfs/dbraw/zinc/74/13/73/1404741373.db2.gz NUZUSECMEVQSOX-UHFFFAOYSA-N -1 1 345.407 2.123 20 0 EEADMM O=C(NCCOC1CCCCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593096616 1404741376 /nfs/dbraw/zinc/74/13/76/1404741376.db2.gz NUZUSECMEVQSOX-UHFFFAOYSA-N -1 1 345.407 2.123 20 0 EEADMM CCc1[nH]c(CN(C)CCNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC001605770994 1404753552 /nfs/dbraw/zinc/75/35/52/1404753552.db2.gz MPFHKNVIKJMVPW-UHFFFAOYSA-N -1 1 325.409 2.232 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(C)CCCOc2ccc(F)cc2)n1 ZINC001606019534 1404756736 /nfs/dbraw/zinc/75/67/36/1404756736.db2.gz HNSVVRZAEIGLOD-UHFFFAOYSA-N -1 1 343.366 2.010 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(C)CCCOc2ccc(F)cc2)n1 ZINC001606019534 1404756740 /nfs/dbraw/zinc/75/67/40/1404756740.db2.gz HNSVVRZAEIGLOD-UHFFFAOYSA-N -1 1 343.366 2.010 20 0 EEADMM Cc1nsc(N(C)C(=O)c2nccc3occc32)c1-c1nnn[n-]1 ZINC001606141847 1404767191 /nfs/dbraw/zinc/76/71/91/1404767191.db2.gz SRVJMLHNLGPAGH-UHFFFAOYSA-N -1 1 341.356 2.049 20 0 EEADMM Cc1nsc(N(C)C(=O)c2nccc3occc32)c1-c1nn[n-]n1 ZINC001606141847 1404767196 /nfs/dbraw/zinc/76/71/96/1404767196.db2.gz SRVJMLHNLGPAGH-UHFFFAOYSA-N -1 1 341.356 2.049 20 0 EEADMM CN(Cc1cc(C(=O)[O-])n(C)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001606147205 1404767738 /nfs/dbraw/zinc/76/77/38/1404767738.db2.gz BROLSXPONLYKEB-HNNXBMFYSA-N -1 1 343.383 2.181 20 0 EEADMM Cc1nsc(NCCc2nc3c(s2)CCC3)c1-c1nn[n-]n1 ZINC001606160873 1404771554 /nfs/dbraw/zinc/77/15/54/1404771554.db2.gz CAXAJXCRMVTCNW-UHFFFAOYSA-N -1 1 333.446 2.231 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001756622247 1409152146 /nfs/dbraw/zinc/15/21/46/1409152146.db2.gz DDMLSVFUUYIDHM-DUYRLRNSSA-N -1 1 331.416 2.253 20 0 EEADMM C/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001756821908 1409370161 /nfs/dbraw/zinc/37/01/61/1409370161.db2.gz UEJZZFFDZQTXOT-XRHVUQDBSA-N -1 1 346.431 2.039 20 0 EEADMM C/C=C(/C)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001756865989 1409419657 /nfs/dbraw/zinc/41/96/57/1409419657.db2.gz YJYFGNFHLNSUKL-HNFXJGKRSA-N -1 1 331.416 2.207 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)O1 ZINC000870163717 1410363067 /nfs/dbraw/zinc/36/30/67/1410363067.db2.gz HFHQNRSTJJVUIH-MLGOLLRUSA-N -1 1 338.835 2.257 20 0 EEADMM C[C@H](OCc1ccccc1)C(=O)NNC(=O)c1cc(Cl)ccc1[O-] ZINC000184031180 782500143 /nfs/dbraw/zinc/50/01/43/782500143.db2.gz ULSXTLPIKDEBKF-NSHDSACASA-N -1 1 348.786 2.412 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000780354656 761486523 /nfs/dbraw/zinc/48/65/23/761486523.db2.gz WXZBZQJARSCXGU-AWEZNQCLSA-N -1 1 337.395 2.125 20 0 EEADMM CCc1nc(C)cc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536004 761707771 /nfs/dbraw/zinc/70/77/71/761707771.db2.gz FYWYOZBGRMLCGX-LBPRGKRZSA-N -1 1 329.404 2.021 20 0 EEADMM O=C(CSc1nncs1)Nc1nc(Br)ccc1[O-] ZINC000189982706 769230882 /nfs/dbraw/zinc/23/08/82/769230882.db2.gz MQIPHOWBKXJFID-UHFFFAOYSA-N -1 1 347.219 2.132 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2cocc2C)C1 ZINC000942754899 783137441 /nfs/dbraw/zinc/13/74/41/783137441.db2.gz SEAGPFXAXMQYTM-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000942754862 783137173 /nfs/dbraw/zinc/13/71/73/783137173.db2.gz RIFWBUYCFZAAKD-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000942754861 783137206 /nfs/dbraw/zinc/13/72/06/783137206.db2.gz RIFWBUYCFZAAKD-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000939210126 775945865 /nfs/dbraw/zinc/94/58/65/775945865.db2.gz DOEBYDDJIDSMOR-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2ccnc(Cl)c2)CC1 ZINC000981026881 776402528 /nfs/dbraw/zinc/40/25/28/776402528.db2.gz 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O=C(C=C1CCCCC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940126036 778158394 /nfs/dbraw/zinc/15/83/94/778158394.db2.gz QRYLDTZIJPUKRA-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)c(Cl)cc2N1 ZINC000182411050 778935364 /nfs/dbraw/zinc/93/53/64/778935364.db2.gz RJKSEWHBDZRHGW-UHFFFAOYSA-N -1 1 338.772 2.341 20 0 EEADMM CCCC(=O)N1CCC2(C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982245562 779357022 /nfs/dbraw/zinc/35/70/22/779357022.db2.gz QSOIDNBUPPLFSJ-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM COCc1nc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(=O)[n-]1 ZINC000893830592 780207773 /nfs/dbraw/zinc/20/77/73/780207773.db2.gz SKSFHTGBJNGZLD-PMPSAXMXSA-N -1 1 341.411 2.338 20 0 EEADMM CC(C)n1c(CCNC(=O)c2cccc3c2OCO3)n[n-]c1=S ZINC000067074002 780517877 /nfs/dbraw/zinc/51/78/77/780517877.db2.gz KCAGHPQGJHOXQZ-UHFFFAOYSA-N -1 1 334.401 2.223 20 0 EEADMM CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2[O-])CCCC1 ZINC000936967236 780604276 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C[C@]1(C(=O)N2CCCCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC=CCC1 ZINC001088321293 783497461 /nfs/dbraw/zinc/49/74/61/783497461.db2.gz ZWQFJDBUAFFEJV-KSSFIOAISA-N -1 1 347.463 2.118 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000816741214 784231148 /nfs/dbraw/zinc/23/11/48/784231148.db2.gz BLIRFHPTVZZAKL-LLVKDONJSA-N -1 1 338.408 2.399 20 0 EEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000906987473 784302363 /nfs/dbraw/zinc/30/23/63/784302363.db2.gz QVVXMEKQGDDNOB-JTQLQIEISA-N -1 1 341.282 2.143 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCC(=O)N2C)c1 ZINC000907240535 784481929 /nfs/dbraw/zinc/48/19/29/784481929.db2.gz IYWNEPFVDYIGFB-LLVKDONJSA-N -1 1 341.205 2.413 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000945611044 784500836 /nfs/dbraw/zinc/50/08/36/784500836.db2.gz FFJHTKACXLPDGW-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(CCc1ccccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907473585 784641982 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CN1CCOc2cc(NC(=O)c3cnc(C4CC4)[n-]c3=O)ccc21 ZINC000907972676 785001598 /nfs/dbraw/zinc/00/15/98/785001598.db2.gz DWIUMHKUYJXVLW-UHFFFAOYSA-N -1 1 326.356 2.141 20 0 EEADMM CCc1cc(NC[C@H]2CCCN2C(=O)c2ncccc2[O-])nc(C)n1 ZINC001063474847 791089735 /nfs/dbraw/zinc/08/97/35/791089735.db2.gz VVVSGMQYMMZUMA-CQSZACIVSA-N -1 1 341.415 2.165 20 0 EEADMM CC(=O)NCC(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908708463 785661893 /nfs/dbraw/zinc/66/18/93/785661893.db2.gz XRTLAVHTAIFBGN-UHFFFAOYSA-N -1 1 329.194 2.256 20 0 EEADMM CC1CCN(C(=O)C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908709983 785662460 /nfs/dbraw/zinc/66/24/60/785662460.db2.gz PCYYDSFSWIGMKP-UHFFFAOYSA-N -1 1 341.205 2.352 20 0 EEADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000819888595 785701049 /nfs/dbraw/zinc/70/10/49/785701049.db2.gz YDJOCOCIWYCCDU-UHFFFAOYSA-N -1 1 349.243 2.392 20 0 EEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000908884314 785824955 /nfs/dbraw/zinc/82/49/55/785824955.db2.gz 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ZINC001064231099 792717119 /nfs/dbraw/zinc/71/71/19/792717119.db2.gz GORHXXRQSROURV-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)c1cnc(CN[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC000999000476 793680539 /nfs/dbraw/zinc/68/05/39/793680539.db2.gz JRNDFDOZZUIQBX-CYBMUJFWSA-N -1 1 344.415 2.293 20 0 EEADMM COC(=O)c1cc([O-])c(Br)c(O[C@H]2CCOC[C@@H]2F)c1 ZINC001233907919 793901566 /nfs/dbraw/zinc/90/15/66/793901566.db2.gz LXSXZBIWBXJLMT-WPRPVWTQSA-N -1 1 349.152 2.447 20 0 EEADMM O=C(CCOc1ccccc1Cl)N1CCC(c2nn[n-]n2)CC1 ZINC000913742351 794201454 /nfs/dbraw/zinc/20/14/54/794201454.db2.gz AMKRFTCNKOJAFO-UHFFFAOYSA-N -1 1 335.795 2.028 20 0 EEADMM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743358 794205468 /nfs/dbraw/zinc/20/54/68/794205468.db2.gz RSGUQVXUOAUIGX-ZDUSSCGKSA-N -1 1 343.431 2.497 20 0 EEADMM CCC[C@H](C)CC(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079652711 795055341 /nfs/dbraw/zinc/05/53/41/795055341.db2.gz DTYLARLOPQPPSS-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654361 795056935 /nfs/dbraw/zinc/05/69/35/795056935.db2.gz QBXYJRRZSKIGRB-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536305 795587953 /nfs/dbraw/zinc/58/79/53/795587953.db2.gz XIDXBEXJVNQKOB-LIRRHRJNSA-N -1 1 345.443 2.190 20 0 EEADMM CCCC1(C(=O)N(CC)C2CN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001080289718 795836527 /nfs/dbraw/zinc/83/65/27/795836527.db2.gz RILLIWFWOWFCHY-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)c2ncccc2O)[C@@H]1C ZINC000993248439 796168778 /nfs/dbraw/zinc/16/87/78/796168778.db2.gz MKCDONQWMYOBOU-HOCLYGCPSA-N -1 1 340.427 2.274 20 0 EEADMM O=C(NC1CN(CCC2CCCCC2)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001031251022 796437403 /nfs/dbraw/zinc/43/74/03/796437403.db2.gz ACKSTKASQQNJBO-UHFFFAOYSA-N -1 1 344.415 2.313 20 0 EEADMM CCC[C@H](C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-])C(C)C ZINC001078612215 796732374 /nfs/dbraw/zinc/73/23/74/796732374.db2.gz JFKQMIAACGQZDQ-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082024523 797083360 /nfs/dbraw/zinc/08/33/60/797083360.db2.gz YXPQAAXTXWYTKA-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@]1(C(=O)OC)C[C@H](N[C@H]2[CH]CC=C2)CN1C(=O)OC(C)(C)C ZINC001173540276 797507772 /nfs/dbraw/zinc/50/77/72/797507772.db2.gz FSUUZCKAMDIPKG-QWQRMKEZSA-N -1 1 337.440 2.440 20 0 EEADMM CC(=O)Oc1ccc(C2CCC([NH2+]CCP(=O)([O-])[O-])CC2)cc1 ZINC001173781997 797637648 /nfs/dbraw/zinc/63/76/48/797637648.db2.gz CJPDVHDZQOVUEF-UHFFFAOYSA-N -1 1 341.344 2.405 20 0 EEADMM C[C@H](C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2)C1CCC1 ZINC001002202308 797702044 /nfs/dbraw/zinc/70/20/44/797702044.db2.gz JHGBRRWJANHKAQ-MYPMTAMASA-N -1 1 343.427 2.085 20 0 EEADMM CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001060665473 797727861 /nfs/dbraw/zinc/72/78/61/797727861.db2.gz JLSVXEUGQGKHNR-HDJSIYSDSA-N -1 1 333.432 2.382 20 0 EEADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)nc1 ZINC001174523342 797787265 /nfs/dbraw/zinc/78/72/65/797787265.db2.gz JDDNDNHERAZARC-UHFFFAOYSA-N -1 1 332.429 2.455 20 0 EEADMM COc1cc(Nc2ccc(N3CCN(C)CC3)nc2)ccc1C(=O)[O-] ZINC001174681146 797829977 /nfs/dbraw/zinc/82/99/77/797829977.db2.gz MSQPYLSQSLXGHL-UHFFFAOYSA-N -1 1 342.399 2.284 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](Nc2ncncc2Cl)C1)c1ncccc1[O-] ZINC001061076525 797959149 /nfs/dbraw/zinc/95/91/49/797959149.db2.gz QQZCSRVYILCIKQ-GHMZBOCLSA-N -1 1 347.806 2.384 20 0 EEADMM Cc1ccc2ccc(F)c([N-]S(=O)(=O)c3cncc(N)c3)c2n1 ZINC001176115112 798354753 /nfs/dbraw/zinc/35/47/53/798354753.db2.gz GXRFRXKNELGARN-UHFFFAOYSA-N -1 1 332.360 2.460 20 0 EEADMM O=S(=O)(CCO)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669660 798523033 /nfs/dbraw/zinc/52/30/33/798523033.db2.gz JPPQLBWUGWTKNC-UHFFFAOYSA-N -1 1 347.314 2.319 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002910672 798819895 /nfs/dbraw/zinc/81/98/95/798819895.db2.gz JZIIHAKVKNAETM-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1cccc(F)n1 ZINC001065838783 799617677 /nfs/dbraw/zinc/61/76/77/799617677.db2.gz KMSHFNMMSRSDCS-RYUDHWBXSA-N -1 1 330.363 2.142 20 0 EEADMM O=C(c1ccc2ccc(Cl)cc2n1)N1CCC(c2nn[n-]n2)CC1 ZINC000825571624 800346721 /nfs/dbraw/zinc/34/67/21/800346721.db2.gz DRCKNAGBRMPTSW-UHFFFAOYSA-N -1 1 342.790 2.421 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)COc1ccc(F)c(Cl)c1 ZINC001180561933 800475366 /nfs/dbraw/zinc/47/53/66/800475366.db2.gz DDDVZZFINRNQNK-UHFFFAOYSA-N -1 1 342.670 2.096 20 0 EEADMM Cc1cc(CN2CC[C@@H]2CN(C)C(=O)c2n[nH]c(C)c2[O-])c(C)s1 ZINC001085544237 800741617 /nfs/dbraw/zinc/74/16/17/800741617.db2.gz NAFIFPDJFYNOLP-CQSZACIVSA-N -1 1 348.472 2.449 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C/C=C\c3ccccc3)C2)c1[O-] ZINC001033007517 800755568 /nfs/dbraw/zinc/75/55/68/800755568.db2.gz BHGOWUJAKPZMGX-CXOKCQFOSA-N -1 1 340.427 2.283 20 0 EEADMM Cc1nsc(C)c1CN1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085562932 800789693 /nfs/dbraw/zinc/78/96/93/800789693.db2.gz ZXBNISQSDDSATC-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001182165934 801046740 /nfs/dbraw/zinc/04/67/40/801046740.db2.gz HLRCZYCBSOJDFY-QMMMGPOBSA-N -1 1 330.300 2.133 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)Cc1c[nH]c2c1cccc2F ZINC001182555438 801231838 /nfs/dbraw/zinc/23/18/38/801231838.db2.gz FKAXSOCDTIDWSJ-UHFFFAOYSA-N -1 1 331.263 2.087 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)[C@H]1CCc2c3ccccc3[nH]c2C1 ZINC001182720681 801305984 /nfs/dbraw/zinc/30/59/84/801305984.db2.gz XGPLUSFAUZXCRC-VIFPVBQESA-N -1 1 348.366 2.283 20 0 EEADMM CC(=O)N1CCCC[C@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001184128925 801882895 /nfs/dbraw/zinc/88/28/95/801882895.db2.gz HZGIFZZWAVMZFV-INIZCTEOSA-N -1 1 342.399 2.308 20 0 EEADMM CN(C)c1nc(NC(=O)NCCc2ccccc2)c(N=O)c(=O)[n-]1 ZINC001184910078 802255658 /nfs/dbraw/zinc/25/56/58/802255658.db2.gz KVXZCMASNBPLAU-UHFFFAOYSA-N -1 1 330.348 2.010 20 0 EEADMM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cnc(Cl)nc1 ZINC001185043079 802320573 /nfs/dbraw/zinc/32/05/73/802320573.db2.gz FYXUZCLSEMQLRF-UHFFFAOYSA-N -1 1 334.184 2.077 20 0 EEADMM C[C@@H](CNc1ccc(C(F)(F)F)cn1)NC(=O)c1ncccc1[O-] ZINC001108323591 803313966 /nfs/dbraw/zinc/31/39/66/803313966.db2.gz SPCQHJZFDPAXPI-VIFPVBQESA-N -1 1 340.305 2.431 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1(F)CCCC1 ZINC001005005447 803437083 /nfs/dbraw/zinc/43/70/83/803437083.db2.gz PVNBLOFGBSPYSH-QWHCGFSZSA-N -1 1 349.406 2.036 20 0 EEADMM CC(C)c1nsc(N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001108933947 804703293 /nfs/dbraw/zinc/70/32/93/804703293.db2.gz ZFMIUEZGOFTFDQ-SNVBAGLBSA-N -1 1 335.433 2.017 20 0 EEADMM O=C(CCn1cc(Br)cn1)Nc1nc(Cl)ccc1[O-] ZINC000790047990 808375702 /nfs/dbraw/zinc/37/57/02/808375702.db2.gz OPAFPWHOKHXUDE-UHFFFAOYSA-N -1 1 345.584 2.428 20 0 EEADMM CSc1ccc(-c2nsc([N-]C(=O)c3cnn(C)n3)n2)cc1 ZINC000790795061 808921826 /nfs/dbraw/zinc/92/18/26/808921826.db2.gz DESGGQDOZJUZCD-UHFFFAOYSA-N -1 1 332.414 2.308 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cccc(OC(F)(F)F)c3F)c2[nH]1 ZINC001170216840 809819308 /nfs/dbraw/zinc/81/93/08/809819308.db2.gz BSURHGKCDPIAAW-UHFFFAOYSA-N -1 1 345.212 2.497 20 0 EEADMM COc1cc(F)cc2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)nc21 ZINC001170226145 809844830 /nfs/dbraw/zinc/84/48/30/809844830.db2.gz DCGNPJDTUXTGEV-UHFFFAOYSA-N -1 1 326.291 2.498 20 0 EEADMM COc1nc(Nc2[n-]c(=O)nc3nc[nH]c32)cc2cc(F)ccc21 ZINC001170227200 809845601 /nfs/dbraw/zinc/84/56/01/809845601.db2.gz GPDORAIZJKZNBR-UHFFFAOYSA-N -1 1 326.291 2.498 20 0 EEADMM COC(=O)CCc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000807355959 812188905 /nfs/dbraw/zinc/18/89/05/812188905.db2.gz CDDIAEGMRDGAGL-UHFFFAOYSA-N -1 1 327.336 2.319 20 0 EEADMM Cn1cc(CNCc2ccc(C(=O)[O-])cc2)c(C2CCOCC2)n1 ZINC001600954192 970887854 /nfs/dbraw/zinc/88/78/54/970887854.db2.gz GGCIFTJQCXWMCQ-UHFFFAOYSA-N -1 1 329.400 2.302 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826472283 948370465 /nfs/dbraw/zinc/37/04/65/948370465.db2.gz FQRWUVKDHYDTIE-LBPRGKRZSA-N -1 1 340.412 2.028 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826472283 948370474 /nfs/dbraw/zinc/37/04/74/948370474.db2.gz FQRWUVKDHYDTIE-LBPRGKRZSA-N -1 1 340.412 2.028 20 0 EEADMM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC001573729672 948569230 /nfs/dbraw/zinc/56/92/30/948569230.db2.gz IICPZPSILWACAY-VIFPVBQESA-N -1 1 331.376 2.487 20 0 EEADMM CC(C)(C)CC[C@@H](CO)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001570929446 948766644 /nfs/dbraw/zinc/76/66/44/948766644.db2.gz SUPOLNVBCQEDPT-NSHDSACASA-N -1 1 331.424 2.133 20 0 EEADMM CC(C)(C)CC[C@@H](CO)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001570929446 948766656 /nfs/dbraw/zinc/76/66/56/948766656.db2.gz SUPOLNVBCQEDPT-NSHDSACASA-N -1 1 331.424 2.133 20 0 EEADMM O[C@@H]1c2ccccc2C[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001570933217 948880296 /nfs/dbraw/zinc/88/02/96/948880296.db2.gz JLYDNWAELSVWAU-PSASIEDQSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@@H]1c2ccccc2C[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001570933217 948880313 /nfs/dbraw/zinc/88/03/13/948880313.db2.gz JLYDNWAELSVWAU-PSASIEDQSA-N -1 1 334.792 2.047 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001570936004 949009549 /nfs/dbraw/zinc/00/95/49/949009549.db2.gz STSJIKUCKOMZTP-DGCLKSJQSA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001570936004 949009560 /nfs/dbraw/zinc/00/95/60/949009560.db2.gz STSJIKUCKOMZTP-DGCLKSJQSA-N -1 1 339.334 2.078 20 0 EEADMM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)n[nH]2)nc1 ZINC001595223417 949271003 /nfs/dbraw/zinc/27/10/03/949271003.db2.gz MARPJVCYDUVLCP-UHFFFAOYSA-N -1 1 343.730 2.471 20 0 EEADMM CC[C@]1(C(=O)[O-])CCCN(Cc2nc3cc(C(=O)OC)ccc3[nH]2)C1 ZINC001589606387 949283534 /nfs/dbraw/zinc/28/35/34/949283534.db2.gz NQGXTDNWLZZTNU-SFHVURJKSA-N -1 1 345.399 2.426 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001573873302 950638382 /nfs/dbraw/zinc/63/83/82/950638382.db2.gz HUPWKOLAPPPBTI-NWDGAFQWSA-N -1 1 333.392 2.172 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001573873302 950638387 /nfs/dbraw/zinc/63/83/87/950638387.db2.gz HUPWKOLAPPPBTI-NWDGAFQWSA-N -1 1 333.392 2.172 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575189000 952453516 /nfs/dbraw/zinc/45/35/16/952453516.db2.gz MFMXZCSYLXUCHW-LLVKDONJSA-N -1 1 340.362 2.104 20 0 EEADMM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575189000 952453519 /nfs/dbraw/zinc/45/35/19/952453519.db2.gz MFMXZCSYLXUCHW-LLVKDONJSA-N -1 1 340.362 2.104 20 0 EEADMM O=C([O-])c1cc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)ccc1O ZINC001594805507 953777794 /nfs/dbraw/zinc/77/77/94/953777794.db2.gz RQNMYJJHYVCRRZ-UHFFFAOYSA-N -1 1 338.323 2.052 20 0 EEADMM C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)[C@H](C)CN1Cc1ccccc1 ZINC001589367687 954206874 /nfs/dbraw/zinc/20/68/74/954206874.db2.gz XUVCFXYUIGILCV-CPUCHLNUSA-N -1 1 330.428 2.219 20 0 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163371839 /nfs/dbraw/zinc/37/18/39/163371839.db2.gz TXQJBBNPTTZQOW-OLZOCXBDSA-N -1 1 345.465 2.208 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)o1 ZINC000358886276 164008731 /nfs/dbraw/zinc/00/87/31/164008731.db2.gz YOVGCFWGMHCSHY-UHFFFAOYSA-N -1 1 335.381 2.424 20 0 EEADMM CCCCN(C(=O)c1cc(=O)n2[n-]cnc2n1)[C@H]1CCC[C@H](C)C1 ZINC000359317136 164111600 /nfs/dbraw/zinc/11/16/00/164111600.db2.gz AHAPDFZDGVQESZ-STQMWFEESA-N -1 1 331.420 2.239 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000359686682 164152475 /nfs/dbraw/zinc/15/24/75/164152475.db2.gz VTEIYHQBOLAJQI-SNVBAGLBSA-N -1 1 328.434 2.311 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(N)=O ZINC000360275516 164274005 /nfs/dbraw/zinc/27/40/05/164274005.db2.gz CDQXYEIFZMQZNS-QMMMGPOBSA-N -1 1 345.635 2.189 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)c1 ZINC000153499419 292506489 /nfs/dbraw/zinc/50/64/89/292506489.db2.gz PCMHIFMPENMLRC-GFCCVEGCSA-N -1 1 337.397 2.457 20 0 EEADMM COc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)nn1C ZINC000361877470 164517997 /nfs/dbraw/zinc/51/79/97/164517997.db2.gz NUVVJPBUMHERAD-UHFFFAOYSA-N -1 1 327.262 2.301 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[N-]OC[C@H]2CCOC2)C1 ZINC000370023789 166379519 /nfs/dbraw/zinc/37/95/19/166379519.db2.gz XWXRBVXLDKEKLW-GUYCJALGSA-N -1 1 342.436 2.108 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC=C(c3ccccc3)C2)o1 ZINC000375361689 167119205 /nfs/dbraw/zinc/11/92/05/167119205.db2.gz MVYWBDUNGTUSDZ-UHFFFAOYSA-N -1 1 346.408 2.117 20 0 EEADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000408218456 167766950 /nfs/dbraw/zinc/76/69/50/167766950.db2.gz ILADGDYQFZNROG-QWRGUYRKSA-N -1 1 328.434 2.227 20 0 EEADMM O=C([N-]S(=O)(=O)[C@H]1CC2CCC1CC2)c1cccc2cn[nH]c21 ZINC000408493898 167802014 /nfs/dbraw/zinc/80/20/14/167802014.db2.gz MFKCXGYPIKCIHY-MGULZYLOSA-N -1 1 333.413 2.201 20 0 EEADMM C[C@H]1CC[S@@](=O)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000365391591 300080488 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CCOc1cc(C(=O)NC[C@H](C)c2nncn2C)cc(Cl)c1[O-] ZINC000277370932 269151341 /nfs/dbraw/zinc/15/13/41/269151341.db2.gz FHDURTWJSZXUGD-VIFPVBQESA-N -1 1 338.795 2.106 20 0 EEADMM CC[C@@H](C)Sc1ccc(NC(=O)NN2CC(=O)[N-]C2=O)c(C)c1 ZINC000277810431 269185413 /nfs/dbraw/zinc/18/54/13/269185413.db2.gz XHXNOYYGRONGTR-SNVBAGLBSA-N -1 1 336.417 2.474 20 0 EEADMM CCCCCNC(=O)Cc1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000277826183 269187657 /nfs/dbraw/zinc/18/76/57/269187657.db2.gz DQJMSOZGCMYGGE-UHFFFAOYSA-N -1 1 346.387 2.250 20 0 EEADMM CSCCO[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000279988841 269319598 /nfs/dbraw/zinc/31/95/98/269319598.db2.gz LNMGWPVUQGJRFJ-KRWDZBQOSA-N -1 1 336.457 2.340 20 0 EEADMM CCc1noc(C)c1CS(=O)(=O)c1nc(Cc2ccccc2)n[n-]1 ZINC000280045765 269323627 /nfs/dbraw/zinc/32/36/27/269323627.db2.gz RJKBPHGDCFERKO-UHFFFAOYSA-N -1 1 346.412 2.228 20 0 EEADMM CCc1noc(C)c1CS(=O)(=O)c1n[n-]c(Cc2ccccc2)n1 ZINC000280045765 269323628 /nfs/dbraw/zinc/32/36/28/269323628.db2.gz RJKBPHGDCFERKO-UHFFFAOYSA-N -1 1 346.412 2.228 20 0 EEADMM O=S(=O)(Cc1ccc(Br)c(Cl)c1)c1ncn[n-]1 ZINC000188936099 274034318 /nfs/dbraw/zinc/03/43/18/274034318.db2.gz NMJCOZAOCGLEAW-UHFFFAOYSA-N -1 1 336.598 2.195 20 0 EEADMM O=S(=O)(Cc1ccc(Br)c(Cl)c1)c1nc[n-]n1 ZINC000188936099 274034321 /nfs/dbraw/zinc/03/43/21/274034321.db2.gz NMJCOZAOCGLEAW-UHFFFAOYSA-N -1 1 336.598 2.195 20 0 EEADMM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000193349140 274058937 /nfs/dbraw/zinc/05/89/37/274058937.db2.gz PLTHNLHIIFUMAG-SNVBAGLBSA-N -1 1 329.809 2.302 20 0 EEADMM C[C@H]1C[C@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000222069227 274077190 /nfs/dbraw/zinc/07/71/90/274077190.db2.gz DPBXBFIEQJRTDG-YUMQZZPRSA-N -1 1 331.153 2.383 20 0 EEADMM CCOCCCNC(=O)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000279258164 274463276 /nfs/dbraw/zinc/46/32/76/274463276.db2.gz SUEOWOPQABOXSH-UHFFFAOYSA-N -1 1 343.383 2.196 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)o1 ZINC000280835705 274601899 /nfs/dbraw/zinc/60/18/99/274601899.db2.gz WTBMKEVGQZPMJW-JOCQHMNTSA-N -1 1 335.381 2.291 20 0 EEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000288694056 275081113 /nfs/dbraw/zinc/08/11/13/275081113.db2.gz XRHBHUDYTQAXDH-UHFFFAOYSA-N -1 1 338.408 2.269 20 0 EEADMM CCOC(=O)C(C)(C)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289661469 275136871 /nfs/dbraw/zinc/13/68/71/275136871.db2.gz XXZJKOGMXMTYDL-UHFFFAOYSA-N -1 1 334.344 2.370 20 0 EEADMM CC[C@@](C)(OC)c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000290132627 275182924 /nfs/dbraw/zinc/18/29/24/275182924.db2.gz OCKJMXNDVPVKSJ-TVQRCGJNSA-N -1 1 345.446 2.442 20 0 EEADMM O=C(Cc1cccc(F)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290522612 275215060 /nfs/dbraw/zinc/21/50/60/275215060.db2.gz ZROUHCYWINENND-LBPRGKRZSA-N -1 1 346.324 2.285 20 0 EEADMM CCC1(C)CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000291357986 275297800 /nfs/dbraw/zinc/29/78/00/275297800.db2.gz QKWLRUFGGTUTFE-UHFFFAOYSA-N -1 1 341.433 2.331 20 0 EEADMM CC(C)C[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263552958 279193897 /nfs/dbraw/zinc/19/38/97/279193897.db2.gz MGGOMSXIMGTFPB-VIFPVBQESA-N -1 1 341.763 2.396 20 0 EEADMM Cc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000281186046 292740032 /nfs/dbraw/zinc/74/00/32/292740032.db2.gz RRYOBKYBALKHOG-UHFFFAOYSA-N -1 1 328.368 2.495 20 0 EEADMM O=C(N[C@@H]1CCC(=O)NC12CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000283394563 292933839 /nfs/dbraw/zinc/93/38/39/292933839.db2.gz FAKVKYLMNUPRCK-GFCCVEGCSA-N -1 1 342.317 2.342 20 0 EEADMM O=C(Nc1ccc(N2CCCC2)cn1)c1ccc2n[n-]c(=S)n2c1 ZINC000283566371 292965162 /nfs/dbraw/zinc/96/51/62/292965162.db2.gz WBGWAMBEKCMLPC-UHFFFAOYSA-N -1 1 340.412 2.266 20 0 EEADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000293323615 293181139 /nfs/dbraw/zinc/18/11/39/293181139.db2.gz CMOLTGJPMROFLI-RKDXNWHRSA-N -1 1 325.356 2.296 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]CC2(C)CCCC2)c(C(F)(F)F)n1 ZINC000293374691 293193558 /nfs/dbraw/zinc/19/35/58/293193558.db2.gz FYBQMUNQHCNYDG-UHFFFAOYSA-N -1 1 325.356 2.298 20 0 EEADMM Cc1cccc(CC[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000293588070 293245788 /nfs/dbraw/zinc/24/57/88/293245788.db2.gz UGWVJNZRLQBEMJ-UHFFFAOYSA-N -1 1 347.362 2.268 20 0 EEADMM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000294110174 293372486 /nfs/dbraw/zinc/37/24/86/293372486.db2.gz BYZDLHISKTWHDP-CQSZACIVSA-N -1 1 336.819 2.422 20 0 EEADMM Cc1cccnc1CCCNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295631059 293774339 /nfs/dbraw/zinc/77/43/39/293774339.db2.gz AALGQRMAMKPFBQ-UHFFFAOYSA-N -1 1 327.413 2.084 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCC2(F)F)c1 ZINC000296257827 293927756 /nfs/dbraw/zinc/92/77/56/293927756.db2.gz XPPBZGYAYVCLQZ-JTQLQIEISA-N -1 1 348.371 2.064 20 0 EEADMM O=C(Nc1ccc([O-])c(C(=O)N2CCCOC2)c1)OCC(F)(F)F ZINC000297103389 294152626 /nfs/dbraw/zinc/15/26/26/294152626.db2.gz NOMGFBGOBVUHKI-UHFFFAOYSA-N -1 1 348.277 2.323 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)c(C)o1 ZINC000126255420 301396973 /nfs/dbraw/zinc/39/69/73/301396973.db2.gz SEIKBFWSOSVGBZ-OAHLLOKOSA-N -1 1 342.461 2.212 20 0 EEADMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cncc([O-])c1 ZINC000171860044 311412164 /nfs/dbraw/zinc/41/21/64/311412164.db2.gz XGGMHXKGTZHUIU-UHFFFAOYSA-N -1 1 339.395 2.343 20 0 EEADMM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1sccc1F ZINC000338852563 312251052 /nfs/dbraw/zinc/25/10/52/312251052.db2.gz UYGJEXZKIRJVOS-CYBMUJFWSA-N -1 1 340.445 2.440 20 0 EEADMM COc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc(OC)c1Cl ZINC000414389501 313009348 /nfs/dbraw/zinc/00/93/48/313009348.db2.gz RKOVZNSHPZFQNS-JTQLQIEISA-N -1 1 335.809 2.278 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)C[C@H]2COc3cc(OC)ccc32)[n-]1 ZINC000415651302 313161702 /nfs/dbraw/zinc/16/17/02/313161702.db2.gz TZRRIUSZYUNKBA-JTQLQIEISA-N -1 1 345.355 2.100 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H]2COc3cc(OC)ccc32)n1 ZINC000415651302 313161706 /nfs/dbraw/zinc/16/17/06/313161706.db2.gz TZRRIUSZYUNKBA-JTQLQIEISA-N -1 1 345.355 2.100 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccn(C)n1 ZINC000416558301 313257482 /nfs/dbraw/zinc/25/74/82/313257482.db2.gz IIWDHOJJKIBCBG-SSDOTTSWSA-N -1 1 335.763 2.391 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)[C@H](O)C(C)C ZINC000416614692 313274323 /nfs/dbraw/zinc/27/43/23/313274323.db2.gz GDIMFSLKDQUMGX-TVQRCGJNSA-N -1 1 325.352 2.178 20 0 EEADMM CCOC[C@H](C)CS(=O)(=O)[N-][C@@H](C(C)=O)c1ccccc1F ZINC000416651606 313286126 /nfs/dbraw/zinc/28/61/26/313286126.db2.gz RQWQLYAGCMWHQN-NHYWBVRUSA-N -1 1 331.409 2.048 20 0 EEADMM C[S@@](=O)c1ccc(CN[C@]2(C(=O)[O-])CCOc3ccccc32)cc1 ZINC000417569990 313542256 /nfs/dbraw/zinc/54/22/56/313542256.db2.gz RNESYGALINPMBI-HOYKHHGWSA-N -1 1 345.420 2.276 20 0 EEADMM CC(C)(C)CC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000417811512 313604708 /nfs/dbraw/zinc/60/47/08/313604708.db2.gz NTROWGZUWBUZQD-GOEBONIOSA-N -1 1 345.443 2.433 20 0 EEADMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000421167918 314059116 /nfs/dbraw/zinc/05/91/16/314059116.db2.gz WHOYTYXEBAXVGT-CQSZACIVSA-N -1 1 329.466 2.478 20 0 EEADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC000425122986 314336239 /nfs/dbraw/zinc/33/62/39/314336239.db2.gz RYYDAFDGKOSKJG-CQSZACIVSA-N -1 1 337.383 2.031 20 0 EEADMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC000425145817 314339707 /nfs/dbraw/zinc/33/97/07/314339707.db2.gz VHKONIVTTLBCKM-LBPRGKRZSA-N -1 1 335.372 2.139 20 0 EEADMM O=C([C@H]1COc2ccc(Cl)cc21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425294177 314374637 /nfs/dbraw/zinc/37/46/37/314374637.db2.gz CWTDFZYJONSYAS-CABZTGNLSA-N -1 1 349.774 2.311 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425313042 314379324 /nfs/dbraw/zinc/37/93/24/314379324.db2.gz ZZABHEFBKNIRNQ-SKDRFNHKSA-N -1 1 333.392 2.015 20 0 EEADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 ZINC000432223745 314687604 /nfs/dbraw/zinc/68/76/04/314687604.db2.gz RHJNSACEKVOXSZ-UHFFFAOYSA-N -1 1 347.375 2.125 20 0 EEADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 ZINC000436502613 314968526 /nfs/dbraw/zinc/96/85/26/314968526.db2.gz CQPDAOVFIIXUBH-QFYYESIMSA-N -1 1 343.335 2.346 20 0 EEADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436794566 314998794 /nfs/dbraw/zinc/99/87/94/314998794.db2.gz CCAMTAIREOGMPX-UHFFFAOYSA-N -1 1 329.234 2.173 20 0 EEADMM COC(=O)[C@@](C)(CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436825879 315002518 /nfs/dbraw/zinc/00/25/18/315002518.db2.gz FKUGWNNHKHAYLJ-SFHVURJKSA-N -1 1 331.343 2.392 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(C)c1 ZINC000436994576 315021566 /nfs/dbraw/zinc/02/15/66/315021566.db2.gz NIFRUHLTFBQNPG-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM CC(C)(C)[C@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)c2ccccc21 ZINC000444632455 315312865 /nfs/dbraw/zinc/31/28/65/315312865.db2.gz GDRBKVRUEJBGAV-LBPRGKRZSA-N -1 1 337.383 2.208 20 0 EEADMM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000456907888 315684986 /nfs/dbraw/zinc/68/49/86/315684986.db2.gz PKKNQICWPLHWRI-CQSZACIVSA-N -1 1 341.411 2.421 20 0 EEADMM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496891533 316314540 /nfs/dbraw/zinc/31/45/40/316314540.db2.gz LISQUOYMMIRIAT-RDBSUJKOSA-N -1 1 346.468 2.237 20 0 EEADMM CNC(=O)COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000515019118 316449683 /nfs/dbraw/zinc/44/96/83/316449683.db2.gz OQPDDJJYMWTRGZ-UHFFFAOYSA-N -1 1 336.294 2.048 20 0 EEADMM CCOC[C@@H]1CN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000528188276 317336187 /nfs/dbraw/zinc/33/61/87/317336187.db2.gz WOGVLOXSBHENQN-HNNXBMFYSA-N -1 1 344.415 2.103 20 0 EEADMM CCOC[C@H]1CN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)CCO1 ZINC000529904704 317662956 /nfs/dbraw/zinc/66/29/56/317662956.db2.gz XYBMCFQLXUYPHX-GFCCVEGCSA-N -1 1 343.807 2.322 20 0 EEADMM CC[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)N1CCCC1=O ZINC000536507971 317997876 /nfs/dbraw/zinc/99/78/76/317997876.db2.gz DBVPXDWXDPLEJG-AWEZNQCLSA-N -1 1 328.372 2.122 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)nn1C1CCCCC1 ZINC000539599424 318057321 /nfs/dbraw/zinc/05/73/21/318057321.db2.gz PEKUUXVTVBAXCX-ZDUSSCGKSA-N -1 1 343.435 2.230 20 0 EEADMM O=C(c1cccc(C(F)(F)F)c1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540423341 318073677 /nfs/dbraw/zinc/07/36/77/318073677.db2.gz NIZMKYDMDQJQSL-MRVPVSSYSA-N -1 1 343.284 2.377 20 0 EEADMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000547643408 318306935 /nfs/dbraw/zinc/30/69/35/318306935.db2.gz OMYLITRDMWZWKQ-UHFFFAOYSA-N -1 1 345.739 2.261 20 0 EEADMM COC(=O)c1ccc(OCCNC(=O)c2c([O-])cccc2F)cc1 ZINC000547796366 318323979 /nfs/dbraw/zinc/32/39/79/318323979.db2.gz KJHYOGCHMXMEDB-UHFFFAOYSA-N -1 1 333.315 2.127 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2c(=O)[nH]cnc2C1 ZINC000548059572 318350261 /nfs/dbraw/zinc/35/02/61/318350261.db2.gz FLWVMDQAPQRWRO-UHFFFAOYSA-N -1 1 339.273 2.105 20 0 EEADMM O=S(=O)([N-]CCOC[C@H]1CCCO1)c1cc2cc(F)ccc2o1 ZINC000560278325 318770096 /nfs/dbraw/zinc/77/00/96/318770096.db2.gz KBYUZKSRWDBSIC-CYBMUJFWSA-N -1 1 343.376 2.046 20 0 EEADMM O=S(=O)([N-][C@H]1CCO[C@@H]1C1CC1)c1cc2cc(F)ccc2o1 ZINC000562548529 318896009 /nfs/dbraw/zinc/89/60/09/318896009.db2.gz RCFHKXIVCAXVGX-SWLSCSKDSA-N -1 1 325.361 2.418 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C[C@@H]1C(=O)[O-] ZINC000567350223 319371960 /nfs/dbraw/zinc/37/19/60/319371960.db2.gz ZJQKWDAPLQKVIG-KWCYVHTRSA-N -1 1 339.461 2.103 20 0 EEADMM CO[C@@H]1C[C@@H](C(=O)[O-])N(CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000574524487 320033583 /nfs/dbraw/zinc/03/35/83/320033583.db2.gz CEMPAXIWZGJGTD-OLZOCXBDSA-N -1 1 349.305 2.138 20 0 EEADMM Cc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c(=O)[nH]1 ZINC000574846734 320062367 /nfs/dbraw/zinc/06/23/67/320062367.db2.gz RZJWKKZHDWFUQV-UHFFFAOYSA-N -1 1 341.371 2.032 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000576088751 320139438 /nfs/dbraw/zinc/13/94/38/320139438.db2.gz NNSBHELTWIYQMP-UHFFFAOYSA-N -1 1 338.285 2.350 20 0 EEADMM COC(=O)c1ccc([O-])c(NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000576958725 320220543 /nfs/dbraw/zinc/22/05/43/320220543.db2.gz VYMMUGFIPSYQEE-UHFFFAOYSA-N -1 1 348.742 2.409 20 0 EEADMM Cc1cc(C)c(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)c1 ZINC000181027415 323337824 /nfs/dbraw/zinc/33/78/24/323337824.db2.gz ZBZUHRRZNYFMKE-UHFFFAOYSA-N -1 1 348.424 2.146 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)[nH]c2c1 ZINC000580950336 324157929 /nfs/dbraw/zinc/15/79/29/324157929.db2.gz KWSGBFXIXSVIOW-NWDGAFQWSA-N -1 1 330.388 2.124 20 0 EEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000581321712 324231366 /nfs/dbraw/zinc/23/13/66/324231366.db2.gz WTKORBRLFLQKDT-AWEZNQCLSA-N -1 1 335.429 2.287 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C3CC3)nn2)c(=O)[n-]1 ZINC000604708594 449274541 /nfs/dbraw/zinc/27/45/41/449274541.db2.gz XBZFFOXGEMNKBM-UHFFFAOYSA-N -1 1 345.428 2.451 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000044253225 463671838 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/nfs/dbraw/zinc/83/76/17/471837617.db2.gz BEQCQQFTWKDBBN-NSHDSACASA-N -1 1 339.317 2.307 20 0 EEADMM CCCNC(=O)[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000667630333 471849949 /nfs/dbraw/zinc/84/99/49/471849949.db2.gz AKQIJVNUTFJRCB-CQSZACIVSA-N -1 1 341.411 2.319 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC000667943056 471957178 /nfs/dbraw/zinc/95/71/78/471957178.db2.gz ODZWIDSLXURLDH-ZDUSSCGKSA-N -1 1 329.356 2.120 20 0 EEADMM Cn1[n-]c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1=O ZINC000665386289 472029785 /nfs/dbraw/zinc/02/97/85/472029785.db2.gz TVNFPJONVGQZTQ-HNNXBMFYSA-N -1 1 348.834 2.346 20 0 EEADMM COCCOC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000668857644 472299523 /nfs/dbraw/zinc/29/95/23/472299523.db2.gz YSRYONFWXGDEFP-UHFFFAOYSA-N -1 1 330.384 2.208 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c[nH]1 ZINC000673884026 485569923 /nfs/dbraw/zinc/56/99/23/485569923.db2.gz WKFQEGUYYFYIOF-UHFFFAOYSA-N -1 1 327.337 2.171 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000674842416 485837238 /nfs/dbraw/zinc/83/72/38/485837238.db2.gz PNMOGOZMUBAFOO-XJKSGUPXSA-N -1 1 331.420 2.247 20 0 EEADMM Cn1c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])nnc1C1CC1 ZINC000680509230 485989218 /nfs/dbraw/zinc/98/92/18/485989218.db2.gz CEZADQGJAHUVCD-UHFFFAOYSA-N -1 1 340.305 2.347 20 0 EEADMM CS(=O)(=O)CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681058918 486126034 /nfs/dbraw/zinc/12/60/34/486126034.db2.gz UUBFFQFJNUVYLL-UHFFFAOYSA-N -1 1 337.372 2.371 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000681126172 486147701 /nfs/dbraw/zinc/14/77/01/486147701.db2.gz UFRZBVQSWGDIMT-GIPNMCIBSA-N -1 1 335.770 2.244 20 0 EEADMM Cc1cc(OC(F)F)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1 ZINC000183421745 534026758 /nfs/dbraw/zinc/02/67/58/534026758.db2.gz QMWQZKNVXJMPCV-ZCFIWIBFSA-N -1 1 331.348 2.047 20 0 EEADMM CC(C)(C)c1ncc(C=CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)s1 ZINC000492191111 534908073 /nfs/dbraw/zinc/90/80/73/534908073.db2.gz RKABCVUCXQXALZ-XUIVZRPNSA-N -1 1 346.460 2.373 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738259847 578006531 /nfs/dbraw/zinc/00/65/31/578006531.db2.gz WYECTEWKSCYCSB-INIZCTEOSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1Cc1ccccc1 ZINC000738259847 578006532 /nfs/dbraw/zinc/00/65/32/578006532.db2.gz WYECTEWKSCYCSB-INIZCTEOSA-N -1 1 348.410 2.499 20 0 EEADMM Fc1cccc(N2CCC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000737661842 576289502 /nfs/dbraw/zinc/28/95/02/576289502.db2.gz QKAOGGIFNZVCMA-ZDUSSCGKSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1cccc(N2CCC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000737661842 576289504 /nfs/dbraw/zinc/28/95/04/576289504.db2.gz QKAOGGIFNZVCMA-ZDUSSCGKSA-N -1 1 339.378 2.482 20 0 EEADMM CC(C)CNC(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000750551906 576457331 /nfs/dbraw/zinc/45/73/31/576457331.db2.gz PHSPXZVIHHXSFF-VIFPVBQESA-N -1 1 344.205 2.472 20 0 EEADMM CCn1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cn1 ZINC000730204365 576736997 /nfs/dbraw/zinc/73/69/97/576736997.db2.gz RSDZTQDKDVLRAW-UHFFFAOYSA-N -1 1 335.364 2.029 20 0 EEADMM CC(C)(C)SCCCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773156064 577319528 /nfs/dbraw/zinc/31/95/28/577319528.db2.gz YNCFRYJRSJVQAY-JTQLQIEISA-N -1 1 329.495 2.128 20 0 EEADMM O=C(c1c(Cl)nc2ccccn21)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773315240 577332509 /nfs/dbraw/zinc/33/25/09/577332509.db2.gz PIVLNQIDWYINTO-VIFPVBQESA-N -1 1 347.762 2.096 20 0 EEADMM O=C([N-]c1nc(C2CC2)no1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000734875956 577333041 /nfs/dbraw/zinc/33/30/41/577333041.db2.gz HAEXOCOWOVKFSN-UHFFFAOYSA-N -1 1 330.735 2.433 20 0 EEADMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773580147 577352555 /nfs/dbraw/zinc/35/25/55/577352555.db2.gz HUVVUNVDYUICQF-JTQLQIEISA-N -1 1 335.335 2.066 20 0 EEADMM O=C(Nc1cccc(-n2cccn2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773806765 577365698 /nfs/dbraw/zinc/36/56/98/577365698.db2.gz RRNZPYSFUMYKGS-UHFFFAOYSA-N -1 1 336.380 2.456 20 0 EEADMM CCOc1ccc(CC(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774872502 577421447 /nfs/dbraw/zinc/42/14/47/577421447.db2.gz AZRYRAFGQAKFPA-UHFFFAOYSA-N -1 1 333.306 2.240 20 0 EEADMM C[C@@H]1CCC[C@@H](OCC(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000774950587 577424450 /nfs/dbraw/zinc/42/44/50/577424450.db2.gz VDLRTZBTYVOKRM-GHMZBOCLSA-N -1 1 325.327 2.194 20 0 EEADMM O=C(OCCC[N-]C(=O)C(F)(F)F)c1cccc(N2CC=CC2)c1 ZINC000774964163 577424903 /nfs/dbraw/zinc/42/49/03/577424903.db2.gz RHAZBIDTWBKFQS-UHFFFAOYSA-N -1 1 342.317 2.288 20 0 EEADMM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]N1CN=NC1=O ZINC000777765130 577486074 /nfs/dbraw/zinc/48/60/74/577486074.db2.gz DNDZPSAQGOJGML-UHFFFAOYSA-N -1 1 335.776 2.453 20 0 EEADMM Cn1[n-]c(COC(=O)c2cccnc2Sc2ccccc2)nc1=O ZINC000765394046 577500186 /nfs/dbraw/zinc/50/01/86/577500186.db2.gz QTZAAARWJJEYCP-UHFFFAOYSA-N -1 1 342.380 2.012 20 0 EEADMM Cn1[n-]c(COC(=O)c2cc3c(s2)-c2ccccc2OC3)nc1=O ZINC000765432391 577501007 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HRDYOQZQWNQTBN-RDJZCZTQSA-N -1 1 348.410 2.029 20 0 EEADMM CCOCCCNC(=O)[C@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751734144 577758607 /nfs/dbraw/zinc/75/86/07/577758607.db2.gz IMAVMGCXFGZRHK-VIFPVBQESA-N -1 1 347.770 2.273 20 0 EEADMM O=C(COC(=O)CCc1ccc(F)cc1F)[N-]C(=O)c1ccccc1 ZINC000751854226 577760924 /nfs/dbraw/zinc/76/09/24/577760924.db2.gz WSDVHKLWVVEMEW-UHFFFAOYSA-N -1 1 347.317 2.397 20 0 EEADMM CN(CC(C)(C)CN1CCOCC1)C(=O)c1c([O-])cccc1Cl ZINC000752630081 577773903 /nfs/dbraw/zinc/77/39/03/577773903.db2.gz IKOSFIMEYRRQRN-UHFFFAOYSA-N -1 1 340.851 2.476 20 0 EEADMM NC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000754832998 577814471 /nfs/dbraw/zinc/81/44/71/577814471.db2.gz FDYNARFGJMNVAT-CYBMUJFWSA-N -1 1 337.734 2.438 20 0 EEADMM CN(C1CCCC1)C(C)(C)C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000754872184 577815453 /nfs/dbraw/zinc/81/54/53/577815453.db2.gz JBUNFVOOUDKNNW-UHFFFAOYSA-N -1 1 348.443 2.431 20 0 EEADMM COc1c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])c(C)nn1C ZINC000745008768 577906672 /nfs/dbraw/zinc/90/66/72/577906672.db2.gz MIIPJUIHLKSFIZ-UHFFFAOYSA-N -1 1 332.356 2.045 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000745154323 577909894 /nfs/dbraw/zinc/90/98/94/577909894.db2.gz YEWQYEZGVQNEOA-OCCSQVGLSA-N -1 1 333.384 2.321 20 0 EEADMM Cc1ncc(COC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000746936150 577936375 /nfs/dbraw/zinc/93/63/75/577936375.db2.gz YFAGRUJMODTSDB-UHFFFAOYSA-N -1 1 346.412 2.493 20 0 EEADMM COC(=O)CCCCCCNC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000747354569 577942831 /nfs/dbraw/zinc/94/28/31/577942831.db2.gz FQYPQGHIVXLUMP-UHFFFAOYSA-N -1 1 341.433 2.066 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](SC)C2)o1 ZINC000748067555 577954484 /nfs/dbraw/zinc/95/44/84/577954484.db2.gz PGLZKZUHEOSGAG-ZJUUUORDSA-N -1 1 333.431 2.019 20 0 EEADMM C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(C(=O)[O-])CC1 ZINC000738628341 578022029 /nfs/dbraw/zinc/02/20/29/578022029.db2.gz CMHAAQRLEQSXAF-CQSZACIVSA-N -1 1 345.443 2.410 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CN1C[C@@H](c3cccc(F)c3)CC1=O)CC2 ZINC000739532535 578057064 /nfs/dbraw/zinc/05/70/64/578057064.db2.gz MPPPVVJVUALVSN-GOEBONIOSA-N -1 1 346.402 2.286 20 0 EEADMM C[S@@](=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000739962177 578075588 /nfs/dbraw/zinc/07/55/88/578075588.db2.gz GBBPKVGKELBNQL-LJQANCHMSA-N -1 1 349.783 2.016 20 0 EEADMM O=C([O-])c1ccc(-c2nc(CNC3(CO)CCOCC3)cs2)cc1 ZINC000740097528 578080665 /nfs/dbraw/zinc/08/06/65/578080665.db2.gz JVXRVESBQHWBCY-UHFFFAOYSA-N -1 1 348.424 2.139 20 0 EEADMM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735700015 578164237 /nfs/dbraw/zinc/16/42/37/578164237.db2.gz DXYODMIKFRBMDV-VIFPVBQESA-N -1 1 342.325 2.311 20 0 EEADMM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735700015 578164238 /nfs/dbraw/zinc/16/42/38/578164238.db2.gz DXYODMIKFRBMDV-VIFPVBQESA-N -1 1 342.325 2.311 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736120505 578182001 /nfs/dbraw/zinc/18/20/01/578182001.db2.gz XSKGFPSQRYRRKU-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736120505 578182002 /nfs/dbraw/zinc/18/20/02/578182002.db2.gz XSKGFPSQRYRRKU-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM CCCOc1cccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000736491572 578207423 /nfs/dbraw/zinc/20/74/23/578207423.db2.gz DSDUGKFZBZDYCZ-UHFFFAOYSA-N -1 1 330.392 2.400 20 0 EEADMM CC1CCC(N2CCN(C(=O)c3cccc(C(=O)[O-])n3)CC2)CC1 ZINC000736769701 578222664 /nfs/dbraw/zinc/22/26/64/578222664.db2.gz WZDIXACVQIYNON-UHFFFAOYSA-N -1 1 331.416 2.116 20 0 EEADMM CN(CCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736801496 578224550 /nfs/dbraw/zinc/22/45/50/578224550.db2.gz WZNMXVINLNOFOS-UHFFFAOYSA-N -1 1 346.398 2.358 20 0 EEADMM CN(CCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736801496 578224551 /nfs/dbraw/zinc/22/45/51/578224551.db2.gz WZNMXVINLNOFOS-UHFFFAOYSA-N -1 1 346.398 2.358 20 0 EEADMM CCC[C@](C)(NCC(=O)Nc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000736963766 578231463 /nfs/dbraw/zinc/23/14/63/578231463.db2.gz LSYCMUYVDYAPBS-SFHVURJKSA-N -1 1 333.432 2.458 20 0 EEADMM CCC[C@@](C)(NCC(=O)NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-] ZINC000736964343 578231574 /nfs/dbraw/zinc/23/15/74/578231574.db2.gz MZWMUBJDIGQAGR-QGZVFWFLSA-N -1 1 335.404 2.185 20 0 EEADMM COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1OC(F)F ZINC000737095832 578237794 /nfs/dbraw/zinc/23/77/94/578237794.db2.gz OWNAAOXDNJBIKY-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC000737095832 578237795 /nfs/dbraw/zinc/23/77/95/578237795.db2.gz OWNAAOXDNJBIKY-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC(F)F ZINC000737361170 578252675 /nfs/dbraw/zinc/25/26/75/578252675.db2.gz VNRMQPAEQJGLIH-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC(F)F ZINC000737361170 578252676 /nfs/dbraw/zinc/25/26/76/578252676.db2.gz VNRMQPAEQJGLIH-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737418986 578256373 /nfs/dbraw/zinc/25/63/73/578256373.db2.gz ALOKLGBADDKROL-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737418986 578256374 /nfs/dbraw/zinc/25/63/74/578256374.db2.gz ALOKLGBADDKROL-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000737777301 578269443 /nfs/dbraw/zinc/26/94/43/578269443.db2.gz TZIWSYCMDCHNMK-ZIAGYGMSSA-N -1 1 345.366 2.243 20 0 EEADMM CSc1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCC2)cc1 ZINC000820910306 597364543 /nfs/dbraw/zinc/36/45/43/597364543.db2.gz ZZUIXOTVHCCRTD-UHFFFAOYSA-N -1 1 336.457 2.354 20 0 EEADMM CN(C)C(=O)c1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821579405 607311360 /nfs/dbraw/zinc/31/13/60/607311360.db2.gz ADUWUENSQOUNGP-UHFFFAOYSA-N -1 1 328.401 2.242 20 0 EEADMM Fc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1-n1cccn1 ZINC000822753210 607313812 /nfs/dbraw/zinc/31/38/12/607313812.db2.gz IYRUWUKOIDJZKO-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1-n1cccn1 ZINC000822753210 607313813 /nfs/dbraw/zinc/31/38/13/607313813.db2.gz IYRUWUKOIDJZKO-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1C(=O)N(C)C ZINC000822255177 607318830 /nfs/dbraw/zinc/31/88/30/607318830.db2.gz XJWXARKXQNVEMR-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1C(=O)N(C)C ZINC000822255177 607318831 /nfs/dbraw/zinc/31/88/31/607318831.db2.gz XJWXARKXQNVEMR-UHFFFAOYSA-N -1 1 326.360 2.082 20 0 EEADMM Cc1ccc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc1C ZINC000822232151 599309157 /nfs/dbraw/zinc/30/91/57/599309157.db2.gz VHWNUUOGSBMLIB-JYRVWZFOSA-N -1 1 335.323 2.421 20 0 EEADMM Cc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc1C ZINC000822232151 599309161 /nfs/dbraw/zinc/30/91/61/599309161.db2.gz VHWNUUOGSBMLIB-JYRVWZFOSA-N -1 1 335.323 2.421 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821094490 599340368 /nfs/dbraw/zinc/34/03/68/599340368.db2.gz KQIXBRPOUQMCDE-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821094490 599340370 /nfs/dbraw/zinc/34/03/70/599340370.db2.gz KQIXBRPOUQMCDE-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000328349377 599778892 /nfs/dbraw/zinc/77/88/92/599778892.db2.gz RMDYZXUGGHJHKT-UHOFOFEASA-N -1 1 329.400 2.352 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN(CCC(=O)[O-])C(C)C ZINC000314454725 600219763 /nfs/dbraw/zinc/21/97/63/600219763.db2.gz DYLLDGJNCVOTCJ-UHFFFAOYSA-N -1 1 328.796 2.472 20 0 EEADMM CN1CCO[C@@H](CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000830963214 600748629 /nfs/dbraw/zinc/74/86/29/600748629.db2.gz AAHKNXPMPUXLCG-GXFFZTMASA-N -1 1 333.215 2.039 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000830581807 600899829 /nfs/dbraw/zinc/89/98/29/600899829.db2.gz ROXSBEZNWXCUPD-SQWLQELKSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[nH]1 ZINC000832990537 600970838 /nfs/dbraw/zinc/97/08/38/600970838.db2.gz DZXFRZJAFDWHGL-UHFFFAOYSA-N -1 1 334.401 2.206 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000832990537 600970840 /nfs/dbraw/zinc/97/08/40/600970840.db2.gz DZXFRZJAFDWHGL-UHFFFAOYSA-N -1 1 334.401 2.206 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCN(Cc3cccnc3)CC2)C1 ZINC000833183503 601210739 /nfs/dbraw/zinc/21/07/39/601210739.db2.gz WQIICVNQPBWHLC-HZPDHXFCSA-N -1 1 345.443 2.053 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000833176407 601439873 /nfs/dbraw/zinc/43/98/73/601439873.db2.gz YSMKTYBXCVSYMK-KDOFPFPSSA-N -1 1 333.359 2.078 20 0 EEADMM C[C@H](OC[C@H](O)CN1CC[C@](F)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000827879637 601446180 /nfs/dbraw/zinc/44/61/80/601446180.db2.gz UTNAYTBSJZEKOZ-SGIREYDYSA-N -1 1 345.798 2.277 20 0 EEADMM COc1ccc(C)cc1C[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826190110 607529345 /nfs/dbraw/zinc/52/93/45/607529345.db2.gz PSZCBKMHJSTHTF-DEOSSOPVSA-N -1 1 343.412 2.028 20 0 EEADMM COc1ccc(C)cc1C[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826190110 607529347 /nfs/dbraw/zinc/52/93/47/607529347.db2.gz PSZCBKMHJSTHTF-DEOSSOPVSA-N -1 1 343.412 2.028 20 0 EEADMM C[C@@H](C(=O)N(C)C1CCCCC1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825971595 601923188 /nfs/dbraw/zinc/92/31/88/601923188.db2.gz ADVBBRGVPYCZGU-JSGCOSHPSA-N -1 1 328.478 2.058 20 0 EEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000832589881 602229034 /nfs/dbraw/zinc/22/90/34/602229034.db2.gz VGXPAXFRJNKHGI-BLLLJJGKSA-N -1 1 336.432 2.304 20 0 EEADMM O=C([O-])CCCN(CC(=O)Nc1nccs1)Cc1ccccc1 ZINC000833225719 604802725 /nfs/dbraw/zinc/80/27/25/604802725.db2.gz KNIQAQRUCXMMJG-UHFFFAOYSA-N -1 1 333.413 2.449 20 0 EEADMM CC(C)(C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1cccc(Cl)c1 ZINC000833411846 604899172 /nfs/dbraw/zinc/89/91/72/604899172.db2.gz SAZYOFZKUFSANH-ZDUSSCGKSA-N -1 1 335.791 2.153 20 0 EEADMM COc1ccccc1NC(=O)CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392024041 604936212 /nfs/dbraw/zinc/93/62/12/604936212.db2.gz ZZWAUXMPUBVJOO-ZDUSSCGKSA-N -1 1 334.416 2.457 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)CN(C)[C@@H]1CCSC1)c1ccccc1 ZINC000833410890 605054126 /nfs/dbraw/zinc/05/41/26/605054126.db2.gz IFFFKMXJNROYFU-JGGQBBKZSA-N -1 1 336.457 2.002 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)cc1Cl ZINC000833627580 605106776 /nfs/dbraw/zinc/10/67/76/605106776.db2.gz YXLVQXQYHBHMNG-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1C ZINC000833659165 605143191 /nfs/dbraw/zinc/14/31/91/605143191.db2.gz YUCJISGLZVNMQW-CHWSQXEVSA-N -1 1 349.431 2.018 20 0 EEADMM CN(CCNC(=O)Nc1cncc(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833693612 605175565 /nfs/dbraw/zinc/17/55/65/605175565.db2.gz HFVFRPJTGBJNTO-UHFFFAOYSA-N -1 1 346.362 2.172 20 0 EEADMM CCOc1ncccc1CN[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833665355 605194919 /nfs/dbraw/zinc/19/49/19/605194919.db2.gz QUUKGTPPKDIBHW-HNNXBMFYSA-N -1 1 344.367 2.182 20 0 EEADMM CC(C)Oc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833507531 605275961 /nfs/dbraw/zinc/27/59/61/605275961.db2.gz SXXKEAPHIOKURY-CQSZACIVSA-N -1 1 334.416 2.095 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)C2)c1 ZINC000833752440 605348371 /nfs/dbraw/zinc/34/83/71/605348371.db2.gz JWPMUJJJFLKAHE-DLBZAZTESA-N -1 1 342.439 2.455 20 0 EEADMM Cc1ccccc1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822345183 606139628 /nfs/dbraw/zinc/13/96/28/606139628.db2.gz HFRPSWVJFSAUFY-UHFFFAOYSA-N -1 1 328.353 2.276 20 0 EEADMM Cc1ccccc1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822345183 606139629 /nfs/dbraw/zinc/13/96/29/606139629.db2.gz HFRPSWVJFSAUFY-UHFFFAOYSA-N -1 1 328.353 2.276 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccs2)c1-c1nnn[n-]1 ZINC000822530455 606238071 /nfs/dbraw/zinc/23/80/71/606238071.db2.gz BXAICHVDZLADKT-WAYWQWQTSA-N -1 1 332.414 2.369 20 0 EEADMM Cc1nsc(N(C)C(=O)C=Cc2cccs2)c1-c1nn[n-]n1 ZINC000822530455 606238073 /nfs/dbraw/zinc/23/80/73/606238073.db2.gz BXAICHVDZLADKT-WAYWQWQTSA-N -1 1 332.414 2.369 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623173 606242988 /nfs/dbraw/zinc/24/29/88/606242988.db2.gz HILRMUANWUDOSK-SUMWQHHRSA-N -1 1 339.403 2.163 20 0 EEADMM C[C@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623173 606242989 /nfs/dbraw/zinc/24/29/89/606242989.db2.gz HILRMUANWUDOSK-SUMWQHHRSA-N -1 1 339.403 2.163 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820907645 606402237 /nfs/dbraw/zinc/40/22/37/606402237.db2.gz FMYMVKFYWGOELW-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820907645 606402239 /nfs/dbraw/zinc/40/22/39/606402239.db2.gz FMYMVKFYWGOELW-SNVBAGLBSA-N -1 1 329.339 2.065 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000819825959 606500824 /nfs/dbraw/zinc/50/08/24/606500824.db2.gz AEDPCHRVMOPMQA-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000819825959 606500826 /nfs/dbraw/zinc/50/08/26/606500826.db2.gz AEDPCHRVMOPMQA-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821196568 606526609 /nfs/dbraw/zinc/52/66/09/606526609.db2.gz APEBQMJSKDXYHN-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821196568 606526611 /nfs/dbraw/zinc/52/66/11/606526611.db2.gz APEBQMJSKDXYHN-UHFFFAOYSA-N -1 1 343.416 2.422 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CC1CCC1)CC(F)(F)F ZINC000823477794 606543811 /nfs/dbraw/zinc/54/38/11/606543811.db2.gz CBGQIKTUWFXESV-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CC1CCC1)CC(F)(F)F ZINC000823477794 606543812 /nfs/dbraw/zinc/54/38/12/606543812.db2.gz CBGQIKTUWFXESV-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(NCC1Cc2ccccc2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823182567 606565613 /nfs/dbraw/zinc/56/56/13/606565613.db2.gz MNFLPEWXZYFHBB-UHFFFAOYSA-N -1 1 325.397 2.073 20 0 EEADMM O=C(NCC1Cc2ccccc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823182567 606565614 /nfs/dbraw/zinc/56/56/14/606565614.db2.gz MNFLPEWXZYFHBB-UHFFFAOYSA-N -1 1 325.397 2.073 20 0 EEADMM CSc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821977375 606652808 /nfs/dbraw/zinc/65/28/08/606652808.db2.gz FZFJXNDSDVMOKE-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821977375 606652809 /nfs/dbraw/zinc/65/28/09/606652809.db2.gz FZFJXNDSDVMOKE-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM O=C(OCc1cccc2nsnc21)c1sccc1-c1nn[n-]n1 ZINC000823431850 607112426 /nfs/dbraw/zinc/11/24/26/607112426.db2.gz ZQWZMKSMMBQOHB-UHFFFAOYSA-N -1 1 344.381 2.290 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825718129 607906110 /nfs/dbraw/zinc/90/61/10/607906110.db2.gz WSPZQFCZWKCNFK-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825718129 607906111 /nfs/dbraw/zinc/90/61/11/607906111.db2.gz WSPZQFCZWKCNFK-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM NC(=O)C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000826390882 607934604 /nfs/dbraw/zinc/93/46/04/607934604.db2.gz QCJMTFDAEVSFMU-LLVKDONJSA-N -1 1 349.826 2.151 20 0 EEADMM NC(=O)C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000826390882 607934605 /nfs/dbraw/zinc/93/46/05/607934605.db2.gz QCJMTFDAEVSFMU-LLVKDONJSA-N -1 1 349.826 2.151 20 0 EEADMM c1cn(Cc2csc(CCc3ccccc3)n2)c(-c2nnn[n-]2)n1 ZINC000826521304 608014698 /nfs/dbraw/zinc/01/46/98/608014698.db2.gz HJMMBQZTYJGSAH-UHFFFAOYSA-N -1 1 337.412 2.353 20 0 EEADMM c1cn(Cc2csc(CCc3ccccc3)n2)c(-c2nn[n-]n2)n1 ZINC000826521304 608014699 /nfs/dbraw/zinc/01/46/99/608014699.db2.gz HJMMBQZTYJGSAH-UHFFFAOYSA-N -1 1 337.412 2.353 20 0 EEADMM COc1ccccc1OC[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826220630 608124204 /nfs/dbraw/zinc/12/42/04/608124204.db2.gz UJCARTIWBUUACP-LBPRGKRZSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ccccc1OC[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826220630 608124205 /nfs/dbraw/zinc/12/42/05/608124205.db2.gz UJCARTIWBUUACP-LBPRGKRZSA-N -1 1 340.387 2.397 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)[C@H]1OC ZINC000825164558 608167371 /nfs/dbraw/zinc/16/73/71/608167371.db2.gz CWDPBJJJSVHCPT-ZWKOPEQDSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)[C@H]1OC ZINC000825164558 608167373 /nfs/dbraw/zinc/16/73/73/608167373.db2.gz CWDPBJJJSVHCPT-ZWKOPEQDSA-N -1 1 349.460 2.498 20 0 EEADMM CNc1nc(CNc2snc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826099110 608185676 /nfs/dbraw/zinc/18/56/76/608185676.db2.gz YNLYHJPCJFAETN-UHFFFAOYSA-N -1 1 328.814 2.087 20 0 EEADMM CNc1nc(CNc2snc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826099110 608185677 /nfs/dbraw/zinc/18/56/77/608185677.db2.gz YNLYHJPCJFAETN-UHFFFAOYSA-N -1 1 328.814 2.087 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826401168 608248993 /nfs/dbraw/zinc/24/89/93/608248993.db2.gz RJJRFGFFEXHBQB-DUXPYHPUSA-N -1 1 346.350 2.500 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826401168 608248994 /nfs/dbraw/zinc/24/89/94/608248994.db2.gz RJJRFGFFEXHBQB-DUXPYHPUSA-N -1 1 346.350 2.500 20 0 EEADMM O=Cc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC000826484252 608434215 /nfs/dbraw/zinc/43/42/15/608434215.db2.gz VASOPHVUNRSZLW-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC000826484252 608434216 /nfs/dbraw/zinc/43/42/16/608434216.db2.gz VASOPHVUNRSZLW-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM Clc1ccccc1N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826353310 608496694 /nfs/dbraw/zinc/49/66/94/608496694.db2.gz KACWLRDZQDRSLK-UHFFFAOYSA-N -1 1 344.806 2.435 20 0 EEADMM Clc1ccccc1N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826353310 608496695 /nfs/dbraw/zinc/49/66/95/608496695.db2.gz KACWLRDZQDRSLK-UHFFFAOYSA-N -1 1 344.806 2.435 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N(C)Cc1nc2ccccc2n1C ZINC000826280130 608544534 /nfs/dbraw/zinc/54/45/34/608544534.db2.gz ONSNNUXAJNLNKA-UHFFFAOYSA-N -1 1 334.387 2.093 20 0 EEADMM O=C(OC[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462707 609385997 /nfs/dbraw/zinc/38/59/97/609385997.db2.gz GEPMOWKFSAUNFP-LBPRGKRZSA-N -1 1 335.367 2.224 20 0 EEADMM O=C(OC[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462707 609385998 /nfs/dbraw/zinc/38/59/98/609385998.db2.gz GEPMOWKFSAUNFP-LBPRGKRZSA-N -1 1 335.367 2.224 20 0 EEADMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866850742 674671617 /nfs/dbraw/zinc/67/16/17/674671617.db2.gz ZGCUTSKHFUJSGL-LLVKDONJSA-N -1 1 327.233 2.074 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1ncccc1C(F)(F)F ZINC000092476769 674816442 /nfs/dbraw/zinc/81/64/42/674816442.db2.gz FGWGUSDMYVPMNO-UHFFFAOYSA-N -1 1 345.350 2.347 20 0 EEADMM C[C@H]1CN(C(=O)C2CCCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020660617 675363740 /nfs/dbraw/zinc/36/37/40/675363740.db2.gz ZNXMWOILMSPUFJ-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM CCn1c(CNC(=O)c2cccn2Cc2ccncc2)n[n-]c1=S ZINC000066636102 676468768 /nfs/dbraw/zinc/46/87/68/676468768.db2.gz WHNWWKVHKZALQD-UHFFFAOYSA-N -1 1 342.428 2.135 20 0 EEADMM CN(Cc1c(F)cccc1F)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393809 676520173 /nfs/dbraw/zinc/52/01/73/676520173.db2.gz KLGLWOCEYIPHKG-GFCCVEGCSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1nc(CN(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000971395404 676521166 /nfs/dbraw/zinc/52/11/66/676521166.db2.gz VJHCSAWGFVDYAQ-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM C[C@H]1CCn2ncc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)c2C1 ZINC000891615445 676721277 /nfs/dbraw/zinc/72/12/77/676721277.db2.gz RYGLAWYZSWMNCM-JTQLQIEISA-N -1 1 327.388 2.092 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccnn1CC1CCC1 ZINC000891612989 676722566 /nfs/dbraw/zinc/72/25/66/676722566.db2.gz FRVWRYFLESFFQL-UHFFFAOYSA-N -1 1 327.388 2.310 20 0 EEADMM COc1cccc([C@@H](OC)C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891612533 676722683 /nfs/dbraw/zinc/72/26/83/676722683.db2.gz ATVKODXRSBCUIG-OAHLLOKOSA-N -1 1 343.383 2.396 20 0 EEADMM CO[C@H](Cc1ccccc1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891613421 676722885 /nfs/dbraw/zinc/72/28/85/676722885.db2.gz GKVWFFHKACUHSN-OAHLLOKOSA-N -1 1 327.384 2.257 20 0 EEADMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866853799 677883615 /nfs/dbraw/zinc/88/36/15/677883615.db2.gz CBFUKCBWEMMQJK-HTQZYQBOSA-N -1 1 327.233 2.074 20 0 EEADMM Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)c1 ZINC000947232042 678588319 /nfs/dbraw/zinc/58/83/19/678588319.db2.gz RWQLHAQAFMXZBC-GDBMZVCRSA-N -1 1 340.427 2.274 20 0 EEADMM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)CC=CCC1 ZINC000982794830 681234381 /nfs/dbraw/zinc/23/43/81/681234381.db2.gz FJRPGTVRRLXWAK-LIRRHRJNSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1cscc1C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212334 681687451 /nfs/dbraw/zinc/68/74/51/681687451.db2.gz VACORYLBWKEBIO-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000937229091 681756819 /nfs/dbraw/zinc/75/68/19/681756819.db2.gz RYPGTFBMYMCYAJ-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000162143106 681997016 /nfs/dbraw/zinc/99/70/16/681997016.db2.gz TULFNWNFVMNPJG-LLVKDONJSA-N -1 1 347.824 2.011 20 0 EEADMM CC(C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000973163586 682258474 /nfs/dbraw/zinc/25/84/74/682258474.db2.gz NOYZORQIWFQFRX-HDJSIYSDSA-N -1 1 329.400 2.055 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C1=CCCCCC1 ZINC000973201908 682298903 /nfs/dbraw/zinc/29/89/03/682298903.db2.gz RFVWLBSPZBNYJD-HDJSIYSDSA-N -1 1 329.400 2.055 20 0 EEADMM O=C(NNC(=O)C1CCCCC1)c1cc(Br)ccc1[O-] ZINC000028812987 682932104 /nfs/dbraw/zinc/93/21/04/682932104.db2.gz APCGPRVLEQKUFI-UHFFFAOYSA-N -1 1 341.205 2.496 20 0 EEADMM CC(C)Cc1nsc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059201278 683200960 /nfs/dbraw/zinc/20/09/60/683200960.db2.gz YVGOKQNWZVSDGC-XYPYZODXSA-N -1 1 347.444 2.210 20 0 EEADMM CCOCCOCCS(=O)(=O)c1nc(C)c(-c2ccccc2)[nH]1 ZINC000899484297 693760548 /nfs/dbraw/zinc/76/05/48/693760548.db2.gz QDASLOFTYZSXCJ-UHFFFAOYSA-N -1 1 338.429 2.212 20 0 EEADMM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000909467005 684092676 /nfs/dbraw/zinc/09/26/76/684092676.db2.gz HEGVLZSALRLVFV-MRXNPFEDSA-N -1 1 325.368 2.230 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000984144311 684155478 /nfs/dbraw/zinc/15/54/78/684155478.db2.gz AIFKZCVNVDQZJF-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC000984144310 684155680 /nfs/dbraw/zinc/15/56/80/684155680.db2.gz AIFKZCVNVDQZJF-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974056688 684274634 /nfs/dbraw/zinc/27/46/34/684274634.db2.gz JIBAPGBZPRTRGI-JNCCQOAMSA-N -1 1 345.443 2.381 20 0 EEADMM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cccc([O-])c2Cl)cn1 ZINC000895380839 684565382 /nfs/dbraw/zinc/56/53/82/684565382.db2.gz QHDODKFCYSIRNY-DMZKTXOQSA-N -1 1 339.848 2.085 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000897112846 686160779 /nfs/dbraw/zinc/16/07/79/686160779.db2.gz RSZLWKFNNSISPW-QMMMGPOBSA-N -1 1 328.210 2.361 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975257457 686363552 /nfs/dbraw/zinc/36/35/52/686363552.db2.gz OPIWGXBQTYCVBP-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CCC1(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866928619 686819814 /nfs/dbraw/zinc/81/98/14/686819814.db2.gz PUJKMJHZOABPKM-FQEVSTJZSA-N -1 1 334.438 2.307 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1[C@H]1CCCN1C(=O)C1CC1 ZINC000975947047 687196977 /nfs/dbraw/zinc/19/69/77/687196977.db2.gz HVTMBADSWZKMNO-HUUCEWRRSA-N -1 1 343.427 2.183 20 0 EEADMM Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccccc3O)C2)cn1 ZINC001027308574 687349277 /nfs/dbraw/zinc/34/92/77/687349277.db2.gz PJDJJBDPEPASNW-MRXNPFEDSA-N -1 1 340.427 2.227 20 0 EEADMM Cc1cc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)nc(C(C)C)n1 ZINC001059613544 687401312 /nfs/dbraw/zinc/40/13/12/687401312.db2.gz IDXZIBPCTFFEQV-BETUJISGSA-N -1 1 341.415 2.382 20 0 EEADMM CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897390454 688741640 /nfs/dbraw/zinc/74/16/40/688741640.db2.gz KYJXRSARTJFBSY-HZPDHXFCSA-N -1 1 331.368 2.175 20 0 EEADMM C[C@@H](NC(=O)c1cnn[nH]1)C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000986753261 688885073 /nfs/dbraw/zinc/88/50/73/688885073.db2.gz HEIDRUICWXZVNL-CYBMUJFWSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@H](C(=O)N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000987001521 689206542 /nfs/dbraw/zinc/20/65/42/689206542.db2.gz FQBUUEMZJFJWLF-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)C2(CF)CC2)C1)c1ncccc1[O-] ZINC000987144351 689417811 /nfs/dbraw/zinc/41/78/11/689417811.db2.gz AVHILBWKHRZNEP-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CC12CCCC2 ZINC000987685389 689930003 /nfs/dbraw/zinc/93/00/03/689930003.db2.gz RGKSTNHMLFHUTJ-MCIONIFRSA-N -1 1 343.427 2.087 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000904217408 694329440 /nfs/dbraw/zinc/32/94/40/694329440.db2.gz DDWGCNBBKBKXGX-ZFWWWQNUSA-N -1 1 334.416 2.059 20 0 EEADMM COc1ccc([C@@H](NC(=O)[C@@H]2CCCCN2C)C(=O)[O-])cc1Cl ZINC000904217702 694329476 /nfs/dbraw/zinc/32/94/76/694329476.db2.gz MXRGBMGDIGAUKA-GXTWGEPZSA-N -1 1 340.807 2.075 20 0 EEADMM Cn1nc(CN[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1C(F)(F)F ZINC000904267907 694340138 /nfs/dbraw/zinc/34/01/38/694340138.db2.gz KFEQGNONLWGWEN-ZJUUUORDSA-N -1 1 332.326 2.107 20 0 EEADMM C[C@@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CC1CCC(C)(C)CC1 ZINC000989871895 692408429 /nfs/dbraw/zinc/40/84/29/692408429.db2.gz XKHMBRMXVNKBLD-OCCSQVGLSA-N -1 1 349.479 2.196 20 0 EEADMM CN(C[C@H]1CCN1C(=O)[C@H]1CCC(C)(C)C1)C(=O)c1ncccc1[O-] ZINC000977605569 692814846 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1226469885 /nfs/dbraw/zinc/46/98/85/1226469885.db2.gz CWMJJYAVJPUQNJ-UHFFFAOYSA-N -1 1 349.774 2.067 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1ncnc2ccccc21 ZINC001067075561 1226500943 /nfs/dbraw/zinc/50/09/43/1226500943.db2.gz IPTWWMKEWNLJIM-DOMZBBRYSA-N -1 1 349.394 2.303 20 0 EEADMM O=C(Cc1c[nH]c2ccccc12)N[N-]C(=O)c1cccnc1Cl ZINC000016073494 1226647705 /nfs/dbraw/zinc/64/77/05/1226647705.db2.gz HOXFOSJHWDAHII-UHFFFAOYSA-N -1 1 328.759 2.220 20 0 EEADMM Cc1csc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])n1 ZINC001017497858 1227469331 /nfs/dbraw/zinc/46/93/31/1227469331.db2.gz LDOZJFQYRGIJHT-BETUJISGSA-N -1 1 344.440 2.041 20 0 EEADMM C[C@@H]1CCN(Cc2c(C3CC3)cnn2C)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827843655 1248821180 /nfs/dbraw/zinc/82/11/80/1248821180.db2.gz FWUFXBDSJXXQHR-MFKMUULPSA-N -1 1 344.381 2.186 20 0 EEADMM CN(C[C@H]1CCCCN1C(=O)CC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001019776606 1229335087 /nfs/dbraw/zinc/33/50/87/1229335087.db2.gz VUQXXDYKLCJECQ-CQSZACIVSA-N -1 1 345.443 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/nfs/dbraw/zinc/09/67/89/1234096789.db2.gz DFBVCTPBXRYWIR-UHFFFAOYSA-N -1 1 327.384 2.485 20 0 EEADMM CCOc1nnc(COC(=O)c2nn(-c3ccccc3)cc2[O-])s1 ZINC000801203933 1235214476 /nfs/dbraw/zinc/21/44/76/1235214476.db2.gz YXMWZWLSPQOWRN-UHFFFAOYSA-N -1 1 346.368 2.185 20 0 EEADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901243855 1235437136 /nfs/dbraw/zinc/43/71/36/1235437136.db2.gz HQVVGYXOKKKCPM-CYBMUJFWSA-N -1 1 327.388 2.377 20 0 EEADMM Cc1noc(COC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])n1 ZINC000801358179 1235453691 /nfs/dbraw/zinc/45/36/91/1235453691.db2.gz HUFJEOQAMGDFDE-UHFFFAOYSA-N -1 1 334.719 2.280 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OC[C@H]3CC[C@@H](C)O3)n2)cc1 ZINC000801364682 1235460887 /nfs/dbraw/zinc/46/08/87/1235460887.db2.gz BWMBIEYRPMBSQG-BXUZGUMPSA-N -1 1 332.356 2.311 20 0 EEADMM CCCNC(=O)COC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000801410787 1235537103 /nfs/dbraw/zinc/53/71/03/1235537103.db2.gz IFGWUVSJSJOLJC-UHFFFAOYSA-N -1 1 345.399 2.384 20 0 EEADMM COCCN([C@H]1CC[C@@H](C)C1)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001413357446 1235845071 /nfs/dbraw/zinc/84/50/71/1235845071.db2.gz QCZIGPBDBDKWHW-OLZOCXBDSA-N -1 1 343.445 2.227 20 0 EEADMM COc1ccccc1C/C(C)=C\C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801703754 1236058526 /nfs/dbraw/zinc/05/85/26/1236058526.db2.gz VMSSXPPABCXESF-AIYHSYPLSA-N -1 1 336.395 2.478 20 0 EEADMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000901652111 1236108998 /nfs/dbraw/zinc/10/89/98/1236108998.db2.gz UMXNZODBQAILKI-UHFFFAOYSA-N -1 1 348.780 2.326 20 0 EEADMM CN(C)C(=O)c1cccc(CNCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000902110740 1237067434 /nfs/dbraw/zinc/06/74/34/1237067434.db2.gz CSKROVQHMYGHSD-UHFFFAOYSA-N -1 1 342.395 2.142 20 0 EEADMM CCCCCC(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001056599538 1239446925 /nfs/dbraw/zinc/44/69/25/1239446925.db2.gz UFQYUQSCCFXXRM-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM CCO[C@H](C)c1noc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000903953263 1242682463 /nfs/dbraw/zinc/68/24/63/1242682463.db2.gz QAXQYLVYIRSZTI-WRYZSIRCSA-N -1 1 325.409 2.487 20 0 EEADMM Cc1cnc(C)nc1NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001057492417 1243976439 /nfs/dbraw/zinc/97/64/39/1243976439.db2.gz DHIRNBYGKOYXEB-UHFFFAOYSA-N -1 1 341.415 2.158 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2ccc(F)cc21 ZINC001097765102 1244583379 /nfs/dbraw/zinc/58/33/79/1244583379.db2.gz OCTBEZGFPHYBNB-JTQLQIEISA-N -1 1 341.346 2.100 20 0 EEADMM CC(C)c1cc(NC2CC(CNC(=O)c3ncccc3[O-])C2)ncn1 ZINC001051910909 1246251042 /nfs/dbraw/zinc/25/10/42/1246251042.db2.gz NIOSKDXIDSNRLB-UHFFFAOYSA-N -1 1 341.415 2.321 20 0 EEADMM CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001053552104 1246465826 /nfs/dbraw/zinc/46/58/26/1246465826.db2.gz QVIUAMSHDARVGK-BTTYYORXSA-N -1 1 331.416 2.087 20 0 EEADMM CCc1nc(C)cc(NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001068475710 1251134002 /nfs/dbraw/zinc/13/40/02/1251134002.db2.gz HJTUWYSJFAOYFE-JOCQHMNTSA-N -1 1 341.415 2.069 20 0 EEADMM CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001413604484 1252096449 /nfs/dbraw/zinc/09/64/49/1252096449.db2.gz FJWOFYIMVVSLDC-GFCCVEGCSA-N -1 1 345.403 2.004 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNc2ncncc2Cl)C1)c1ncccc1[O-] ZINC001069462000 1252908940 /nfs/dbraw/zinc/90/89/40/1252908940.db2.gz WHXWZXMYSUYMCO-QWRGUYRKSA-N -1 1 347.806 2.241 20 0 EEADMM Cc1nc(CN2C[C@H](NC(=O)c3ncccc3[O-])CC[C@H]2C)c(C)o1 ZINC001071453871 1254209750 /nfs/dbraw/zinc/20/97/50/1254209750.db2.gz BAOYMVFSRKJLNY-BXUZGUMPSA-N -1 1 344.415 2.175 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)/C=C/C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC001074898850 1257199768 /nfs/dbraw/zinc/19/97/68/1257199768.db2.gz IDCZMQMQHJQKFZ-BIYBCCJYSA-N -1 1 345.443 2.499 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(cnn2CCO)c1 ZINC001185824741 1278809830 /nfs/dbraw/zinc/80/98/30/1278809830.db2.gz KSVPWIFBUXPJIC-UHFFFAOYSA-N -1 1 349.387 2.277 20 0 EEADMM O=C(C[C@@H]1CCc2cc(F)ccc2C1)NCCCC[P@@](=O)([O-])O ZINC001186166491 1278989270 /nfs/dbraw/zinc/98/92/70/1278989270.db2.gz USLCNTMCURJFPF-GFCCVEGCSA-N -1 1 343.335 2.395 20 0 EEADMM O=C(NC[C@H]1CN(c2ccccc2)CCO1)c1ccc([O-])c(F)c1 ZINC001186233257 1278998267 /nfs/dbraw/zinc/99/82/67/1278998267.db2.gz GOAVLJVACPHVSS-HNNXBMFYSA-N -1 1 330.359 2.167 20 0 EEADMM O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC001186234645 1278998935 /nfs/dbraw/zinc/99/89/35/1278998935.db2.gz YAQRGRWFJAUWQA-YOEHRIQHSA-N -1 1 328.343 2.281 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2nsnc2c1 ZINC001186217559 1279009971 /nfs/dbraw/zinc/00/99/71/1279009971.db2.gz XITRNBKQMKCBQS-UHFFFAOYSA-N -1 1 335.366 2.221 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001087234870 1276651751 /nfs/dbraw/zinc/65/17/51/1276651751.db2.gz AAWICYXIDQBDAL-NFAWXSAZSA-N -1 1 349.479 2.053 20 0 EEADMM CCN(CC)C(=O)N1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC001186339360 1279078019 /nfs/dbraw/zinc/07/80/19/1279078019.db2.gz FLYBLDACASBUML-UHFFFAOYSA-N -1 1 337.395 2.187 20 0 EEADMM CCCCC[C@@H](C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)C ZINC001186919427 1279314068 /nfs/dbraw/zinc/31/40/68/1279314068.db2.gz RFNUCELPIHNMGI-ZIAGYGMSSA-N -1 1 337.468 2.053 20 0 EEADMM CCOCc1ccc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001187088821 1279394560 /nfs/dbraw/zinc/39/45/60/1279394560.db2.gz VUZRRFFQTGYGGT-UHFFFAOYSA-N -1 1 345.359 2.435 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001188562739 1279917705 /nfs/dbraw/zinc/91/77/05/1279917705.db2.gz IJAQAQOWRLOHNL-UHFFFAOYSA-N -1 1 340.261 2.412 20 0 EEADMM O=S(=O)([N-][C@@H]1CC12CCCCC2)c1nc[nH]c1Br ZINC000867045669 1280055485 /nfs/dbraw/zinc/05/54/85/1280055485.db2.gz HNOLAMNEKNJMBY-MRVPVSSYSA-N -1 1 334.239 2.173 20 0 EEADMM CC(C)c1nc(C[N-]S(=O)(=O)Cc2cc(F)ccc2F)no1 ZINC001189698811 1280455455 /nfs/dbraw/zinc/45/54/55/1280455455.db2.gz MSUIQLVZYTUIND-UHFFFAOYSA-N -1 1 331.344 2.091 20 0 EEADMM O=S(=O)(CCCF)[N-]c1cccn2c(Br)cnc12 ZINC001189868159 1280528382 /nfs/dbraw/zinc/52/83/82/1280528382.db2.gz DNJYYYDGJSIGHB-UHFFFAOYSA-N -1 1 336.186 2.198 20 0 EEADMM C[C@](CO)(NC(=O)c1cnc(-c2ccccc2)[n-]c1=O)c1ccccc1 ZINC001190269009 1280769513 /nfs/dbraw/zinc/76/95/13/1280769513.db2.gz DVIBNWQGVZJQOZ-HXUWFJFHSA-N -1 1 349.390 2.487 20 0 EEADMM O=C(Nc1noc2cnccc21)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190619031 1280960893 /nfs/dbraw/zinc/96/08/93/1280960893.db2.gz SHDHHSISAUELRL-UHFFFAOYSA-N -1 1 334.295 2.033 20 0 EEADMM COC(=O)c1cncc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001191213250 1281251217 /nfs/dbraw/zinc/25/12/17/1281251217.db2.gz KMNPMUZVFGXEIT-UHFFFAOYSA-N -1 1 338.323 2.012 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nccnc2-c2ccccc2)n1 ZINC001191464454 1281422429 /nfs/dbraw/zinc/42/24/29/1281422429.db2.gz WEEXNGUUCDMOIA-UHFFFAOYSA-N -1 1 337.339 2.296 20 0 EEADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)cc1 ZINC001191619193 1281498239 /nfs/dbraw/zinc/49/82/39/1281498239.db2.gz GMBLMEQNJNVVNH-UHFFFAOYSA-N -1 1 346.408 2.440 20 0 EEADMM Cc1cc2ncc(C)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)n2n1 ZINC001192001557 1281743254 /nfs/dbraw/zinc/74/32/54/1281743254.db2.gz PFEFDLHRMNZRDJ-UHFFFAOYSA-N -1 1 343.623 2.416 20 0 EEADMM Cc1cccn2c(C[N-]S(=O)(=O)C(Cl)(Cl)Cl)cnc12 ZINC001192044501 1281777839 /nfs/dbraw/zinc/77/78/39/1281777839.db2.gz VKQKVEVCOUORTQ-UHFFFAOYSA-N -1 1 342.635 2.390 20 0 EEADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccn3nccc23)cc1 ZINC001192115860 1281806395 /nfs/dbraw/zinc/80/63/95/1281806395.db2.gz FQNNZIZTWXUFER-UHFFFAOYSA-N -1 1 345.380 2.152 20 0 EEADMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1F ZINC001192368321 1281951834 /nfs/dbraw/zinc/95/18/34/1281951834.db2.gz OBQZIKPKEBZSHV-UHFFFAOYSA-N -1 1 343.767 2.082 20 0 EEADMM Cn1nc(Br)cc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192652233 1282082996 /nfs/dbraw/zinc/08/29/96/1282082996.db2.gz XCMPNRMZUXECEM-UHFFFAOYSA-N -1 1 332.104 2.419 20 0 EEADMM C[NH+]1CCN(c2ncccc2NC(=O)c2cc(O)cc(F)c2F)CC1 ZINC001192651920 1282083035 /nfs/dbraw/zinc/08/30/35/1282083035.db2.gz POUSFFRTGHNNBZ-UHFFFAOYSA-N -1 1 348.353 2.070 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1cccnc1 ZINC001192679180 1282099785 /nfs/dbraw/zinc/09/97/85/1282099785.db2.gz QZJINEFWBJBIPU-CYBMUJFWSA-N -1 1 336.294 2.100 20 0 EEADMM O=C(N[C@H]1CCN(Cc2cccnc2)C1)c1cc([O-])cc(F)c1F ZINC001192684060 1282102533 /nfs/dbraw/zinc/10/25/33/1282102533.db2.gz MSBOGCYAHWOWEK-LBPRGKRZSA-N -1 1 333.338 2.070 20 0 EEADMM O=C(c1cc([O-])cc(F)c1F)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001192664180 1282122406 /nfs/dbraw/zinc/12/24/06/1282122406.db2.gz LJCSMQOVGWTOHD-JKSUJKDBSA-N -1 1 333.334 2.489 20 0 EEADMM CCOC(=O)[C@H](CCSC)NC(=O)Nc1c([O-])cccc1F ZINC001193226315 1282413976 /nfs/dbraw/zinc/41/39/76/1282413976.db2.gz HLVUJOZYMZRWDF-JTQLQIEISA-N -1 1 330.381 2.338 20 0 EEADMM COCCOc1c(F)cccc1NC(=O)c1nccc(OC)c1[O-] ZINC001193531123 1282539312 /nfs/dbraw/zinc/53/93/12/1282539312.db2.gz GBKOCSQDYXAKBL-UHFFFAOYSA-N -1 1 336.319 2.212 20 0 EEADMM COCCOc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193934778 1282770549 /nfs/dbraw/zinc/77/05/49/1282770549.db2.gz 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O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1nccc(Cl)c1Cl ZINC001195449665 1368533175 /nfs/dbraw/zinc/53/31/75/1368533175.db2.gz DNQQZZSYTLGWTN-UHFFFAOYSA-N -1 1 330.087 2.240 20 0 EEADMM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cnc(Cl)cc1Cl ZINC001320021698 1332811585 /nfs/dbraw/zinc/81/15/85/1332811585.db2.gz BYTUDKUEDSVUPM-DTORHVGOSA-N -1 1 339.244 2.218 20 0 EEADMM O=C([O-])c1cn(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)nn1 ZINC001608964835 1351803696 /nfs/dbraw/zinc/80/36/96/1351803696.db2.gz MPXFFZYMWJYENN-LLVKDONJSA-N -1 1 340.305 2.442 20 0 EEADMM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NCc1cccnc1Cl ZINC001320866105 1332968695 /nfs/dbraw/zinc/96/86/95/1332968695.db2.gz DYHPOWWODIVDPI-AWEZNQCLSA-N -1 1 348.786 2.411 20 0 EEADMM Nc1cn[n-]c(=NNC(=S)N[C@@H]2CCc3ccccc3C2)c1Cl ZINC001322617112 1333295018 /nfs/dbraw/zinc/29/50/18/1333295018.db2.gz BRYQHUHXTVBJDV-LLVKDONJSA-N -1 1 348.863 2.061 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccoc2)ccc1N1CC[NH+](C)CC1 ZINC001323534865 1333483731 /nfs/dbraw/zinc/48/37/31/1333483731.db2.gz ZWKBYPORAYNKDW-UHFFFAOYSA-N -1 1 335.429 2.141 20 0 EEADMM C[C@H](CCCO)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609109735 1351847342 /nfs/dbraw/zinc/84/73/42/1351847342.db2.gz HHROZDVXKIOYQU-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@H](CCCO)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609109735 1351847346 /nfs/dbraw/zinc/84/73/46/1351847346.db2.gz HHROZDVXKIOYQU-MRVPVSSYSA-N -1 1 330.314 2.101 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CC(=O)c1ccccc1 ZINC001201769129 1368842040 /nfs/dbraw/zinc/84/20/40/1368842040.db2.gz RISPQKRGZQFPMV-UHFFFAOYSA-N -1 1 330.818 2.266 20 0 EEADMM CC1(COC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001609150122 1351863627 /nfs/dbraw/zinc/86/36/27/1351863627.db2.gz MXDDLPUNCCPYCO-UHFFFAOYSA-N -1 1 327.266 2.237 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)c2cccc(F)c2O1 ZINC001609174240 1351876951 /nfs/dbraw/zinc/87/69/51/1351876951.db2.gz SRQCJYZIQZPVQT-QMMMGPOBSA-N -1 1 332.364 2.250 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)c2cccc(F)c2O1 ZINC001609174240 1351876952 /nfs/dbraw/zinc/87/69/52/1351876952.db2.gz SRQCJYZIQZPVQT-QMMMGPOBSA-N -1 1 332.364 2.250 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001609195877 1351885421 /nfs/dbraw/zinc/88/54/21/1351885421.db2.gz GPZBXXMMTKTSKD-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001609195877 1351885425 /nfs/dbraw/zinc/88/54/25/1351885425.db2.gz GPZBXXMMTKTSKD-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609195840 1351886022 /nfs/dbraw/zinc/88/60/22/1351886022.db2.gz FCIABKMQTPSLML-LBPRGKRZSA-N -1 1 326.360 2.468 20 0 EEADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609195840 1351886024 /nfs/dbraw/zinc/88/60/24/1351886024.db2.gz FCIABKMQTPSLML-LBPRGKRZSA-N -1 1 326.360 2.468 20 0 EEADMM CCc1nc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)cs1 ZINC001609253971 1351910938 /nfs/dbraw/zinc/91/09/38/1351910938.db2.gz DAVNWFWALHNJSZ-ZETCQYMHSA-N -1 1 332.389 2.278 20 0 EEADMM CCc1nc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001609253971 1351910944 /nfs/dbraw/zinc/91/09/44/1351910944.db2.gz DAVNWFWALHNJSZ-ZETCQYMHSA-N -1 1 332.389 2.278 20 0 EEADMM Cn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1cccnc1 ZINC000028628806 1351922912 /nfs/dbraw/zinc/92/29/12/1351922912.db2.gz RCXLGAGNTRLTGO-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM CO[C@@H](C)c1nc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cs1 ZINC001609308739 1351926678 /nfs/dbraw/zinc/92/66/78/1351926678.db2.gz CWMSJBWFOQUPAQ-VIFPVBQESA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@@H](C)c1nc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cs1 ZINC001609308739 1351926680 /nfs/dbraw/zinc/92/66/80/1351926680.db2.gz CWMSJBWFOQUPAQ-VIFPVBQESA-N -1 1 331.405 2.346 20 0 EEADMM COc1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc(OC)c1 ZINC001609346285 1351940895 /nfs/dbraw/zinc/94/08/95/1351940895.db2.gz NERCEQHVZOPHIJ-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc(OC)c1 ZINC001609346285 1351940898 /nfs/dbraw/zinc/94/08/98/1351940898.db2.gz NERCEQHVZOPHIJ-UHFFFAOYSA-N -1 1 329.316 2.038 20 0 EEADMM COc1cccc2c1N(C(=O)c1cc(-c3nnn[n-]3)oc1C)CCC2 ZINC001609363292 1351947299 /nfs/dbraw/zinc/94/72/99/1351947299.db2.gz VOFKXCVKOUGIEL-UHFFFAOYSA-N -1 1 339.355 2.370 20 0 EEADMM COc1cccc2c1N(C(=O)c1cc(-c3nn[n-]n3)oc1C)CCC2 ZINC001609363292 1351947301 /nfs/dbraw/zinc/94/73/01/1351947301.db2.gz VOFKXCVKOUGIEL-UHFFFAOYSA-N -1 1 339.355 2.370 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2coc(-c3cccs3)n2)n1 ZINC001609392415 1351957919 /nfs/dbraw/zinc/95/79/19/1351957919.db2.gz PKWLIZGRHYOROK-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2coc(-c3cccs3)n2)n1 ZINC001609392415 1351957921 /nfs/dbraw/zinc/95/79/21/1351957921.db2.gz PKWLIZGRHYOROK-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(c3ccc(F)cc3)CC2)n1 ZINC001609392287 1351957967 /nfs/dbraw/zinc/95/79/67/1351957967.db2.gz LIPAZJFRXXNWEH-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(c3ccc(F)cc3)CC2)n1 ZINC001609392287 1351957970 /nfs/dbraw/zinc/95/79/70/1351957970.db2.gz LIPAZJFRXXNWEH-UHFFFAOYSA-N -1 1 325.351 2.248 20 0 EEADMM Cc1cc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C=O ZINC001609397136 1351959215 /nfs/dbraw/zinc/95/92/15/1351959215.db2.gz GQVVLCJJGZRHTE-UHFFFAOYSA-N -1 1 337.339 2.254 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)no1 ZINC001609399416 1351961124 /nfs/dbraw/zinc/96/11/24/1351961124.db2.gz WQIHTBPWWGGPMY-GFCCVEGCSA-N -1 1 328.332 2.042 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)no1 ZINC001609399416 1351961127 /nfs/dbraw/zinc/96/11/27/1351961127.db2.gz WQIHTBPWWGGPMY-GFCCVEGCSA-N -1 1 328.332 2.042 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)nc1-c1nnn[n-]1 ZINC001609425488 1351972198 /nfs/dbraw/zinc/97/21/98/1351972198.db2.gz RQFZSAWVIJTMJD-FAAHXZRKSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)nc1-c1nn[n-]n1 ZINC001609425488 1351972202 /nfs/dbraw/zinc/97/22/02/1351972202.db2.gz RQFZSAWVIJTMJD-FAAHXZRKSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCN1CCc2ccccc21 ZINC001609417210 1351968363 /nfs/dbraw/zinc/96/83/63/1351968363.db2.gz YDDZYTIJGVKAGM-UHFFFAOYSA-N -1 1 335.415 2.435 20 0 EEADMM Cc1nsc(NC(=O)N2CCC3(CCC3)CC2)c1-c1nnn[n-]1 ZINC001609464837 1351987313 /nfs/dbraw/zinc/98/73/13/1351987313.db2.gz HMKBXCLRCUQFFB-UHFFFAOYSA-N -1 1 333.421 2.430 20 0 EEADMM Cc1nsc(NC(=O)N2CCC3(CCC3)CC2)c1-c1nn[n-]n1 ZINC001609464837 1351987316 /nfs/dbraw/zinc/98/73/16/1351987316.db2.gz HMKBXCLRCUQFFB-UHFFFAOYSA-N -1 1 333.421 2.430 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001609467295 1351988355 /nfs/dbraw/zinc/98/83/55/1351988355.db2.gz AXZRWQYYGRQFKR-UHFFFAOYSA-N -1 1 327.388 2.467 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC001609467295 1351988357 /nfs/dbraw/zinc/98/83/57/1351988357.db2.gz AXZRWQYYGRQFKR-UHFFFAOYSA-N -1 1 327.388 2.467 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001609491407 1351996963 /nfs/dbraw/zinc/99/69/63/1351996963.db2.gz DUZWKQDFTQNAGO-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001609491407 1351996965 /nfs/dbraw/zinc/99/69/65/1351996965.db2.gz DUZWKQDFTQNAGO-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001609492338 1351997745 /nfs/dbraw/zinc/99/77/45/1351997745.db2.gz WXLSEGDMPZHIEY-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM Fc1cccc(OC(F)F)c1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001609492338 1351997748 /nfs/dbraw/zinc/99/77/48/1351997748.db2.gz WXLSEGDMPZHIEY-UHFFFAOYSA-N -1 1 337.265 2.009 20 0 EEADMM CC(C)(C)OC[C@H](NCc1cccnc1Br)C(=O)[O-] ZINC001331845586 1335655353 /nfs/dbraw/zinc/65/53/53/1335655353.db2.gz MIXYOEXRNNMWDO-JTQLQIEISA-N -1 1 331.210 2.202 20 0 EEADMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540788 1352009994 /nfs/dbraw/zinc/00/99/94/1352009994.db2.gz NHBJGFZXSVXHTA-HOCLYGCPSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540788 1352009998 /nfs/dbraw/zinc/00/99/98/1352009998.db2.gz NHBJGFZXSVXHTA-HOCLYGCPSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc(-c2nnn[n-]2)s1 ZINC001609567425 1352018113 /nfs/dbraw/zinc/01/81/13/1352018113.db2.gz KEZGUEILQQKADS-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc(-c2nn[n-]n2)s1 ZINC001609567425 1352018114 /nfs/dbraw/zinc/01/81/14/1352018114.db2.gz KEZGUEILQQKADS-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609566063 1352018701 /nfs/dbraw/zinc/01/87/01/1352018701.db2.gz YKDUFCMQIPTEKR-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(OCCSCc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001609574916 1352022564 /nfs/dbraw/zinc/02/25/64/1352022564.db2.gz DLSTVTWTFXIKEK-UHFFFAOYSA-N -1 1 341.396 2.352 20 0 EEADMM O=C(OCCSCc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001609574916 1352022566 /nfs/dbraw/zinc/02/25/66/1352022566.db2.gz DLSTVTWTFXIKEK-UHFFFAOYSA-N -1 1 341.396 2.352 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCc2ccc(F)c(F)c21 ZINC001609583485 1352027331 /nfs/dbraw/zinc/02/73/31/1352027331.db2.gz AYHWNPGKQRRGAE-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCc2ccc(F)c(F)c21 ZINC001609583485 1352027334 /nfs/dbraw/zinc/02/73/34/1352027334.db2.gz AYHWNPGKQRRGAE-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609607392 1352034824 /nfs/dbraw/zinc/03/48/24/1352034824.db2.gz AABPYZZGSQRCET-KGYLQXTDSA-N -1 1 348.838 2.435 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609607392 1352034829 /nfs/dbraw/zinc/03/48/29/1352034829.db2.gz AABPYZZGSQRCET-KGYLQXTDSA-N -1 1 348.838 2.435 20 0 EEADMM O[C@@H]1CCOc2c(NCc3ccc(-c4nn[n-]n4)s3)cccc21 ZINC001609608799 1352036016 /nfs/dbraw/zinc/03/60/16/1352036016.db2.gz WMTOEHWXDKCVKN-GFCCVEGCSA-N -1 1 329.385 2.356 20 0 EEADMM C[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccc(Cl)c1 ZINC001609632839 1352046571 /nfs/dbraw/zinc/04/65/71/1352046571.db2.gz HWMLLZPOKDTRMZ-OLZOCXBDSA-N -1 1 338.835 2.451 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001609691029 1352060665 /nfs/dbraw/zinc/06/06/65/1352060665.db2.gz RYAWJSCTCHUZFD-ZDUSSCGKSA-N -1 1 341.358 2.467 20 0 EEADMM CN(Cc1ccccc1)c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001338474331 1336866112 /nfs/dbraw/zinc/86/61/12/1336866112.db2.gz ASTIDXRVHLSNKZ-UHFFFAOYSA-N -1 1 336.399 2.492 20 0 EEADMM C[C@@]1(Cc2ccccc2)CCN(CN2CCC[C@H](C(=O)[O-])C2)C1=O ZINC001609821346 1352093714 /nfs/dbraw/zinc/09/37/14/1352093714.db2.gz FIFDXEUDNDVWIP-LPHOPBHVSA-N -1 1 330.428 2.222 20 0 EEADMM CC[C@H](C)N1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001609907494 1352116818 /nfs/dbraw/zinc/11/68/18/1352116818.db2.gz GGVYWZNFLOADED-ZDUSSCGKSA-N -1 1 343.427 2.465 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC001609908594 1352117318 /nfs/dbraw/zinc/11/73/18/1352117318.db2.gz TVTJNCNPFYZEGS-LLVKDONJSA-N -1 1 340.449 2.108 20 0 EEADMM CC[C@H](Oc1ccccc1C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609940640 1352124402 /nfs/dbraw/zinc/12/44/02/1352124402.db2.gz MODPTBJHNCJLBE-CVEARBPZSA-N -1 1 348.443 2.160 20 0 EEADMM O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001342988997 1337325767 /nfs/dbraw/zinc/32/57/67/1337325767.db2.gz BRZQQTBDOUAICS-LBPRGKRZSA-N -1 1 348.819 2.265 20 0 EEADMM COCCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)CC(C)C ZINC001345371185 1337441466 /nfs/dbraw/zinc/44/14/66/1337441466.db2.gz PTDLHALSTIJEQT-UHFFFAOYSA-N -1 1 339.827 2.438 20 0 EEADMM CCCOc1cccc(CNC(=O)CN2CCC(CC(=O)[O-])CC2)c1 ZINC001609981182 1352133603 /nfs/dbraw/zinc/13/36/03/1352133603.db2.gz SOHBMCQBUFYCKZ-UHFFFAOYSA-N -1 1 348.443 2.278 20 0 EEADMM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001610008898 1352139230 /nfs/dbraw/zinc/13/92/30/1352139230.db2.gz UXDUBNWTPRQJBS-ZDUSSCGKSA-N -1 1 337.420 2.132 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCC2 ZINC001351658124 1337834777 /nfs/dbraw/zinc/83/47/77/1337834777.db2.gz WFMBUEZPYOOFNO-GHMZBOCLSA-N -1 1 337.445 2.199 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1ccnc(-c2ccccc2)n1 ZINC001100071068 1337979063 /nfs/dbraw/zinc/97/90/63/1337979063.db2.gz QXQPZNHPKSYZGL-UHFFFAOYSA-N -1 1 349.394 2.110 20 0 EEADMM CNC(=O)c1cccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1 ZINC001610144512 1352172766 /nfs/dbraw/zinc/17/27/66/1352172766.db2.gz XPLPLBYXXHMCAV-CYBMUJFWSA-N -1 1 342.395 2.360 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001610441323 1352222982 /nfs/dbraw/zinc/22/29/82/1352222982.db2.gz GCJKXLKRVNBCPQ-UHFFFAOYSA-N -1 1 331.376 2.431 20 0 EEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)n1 ZINC001610465859 1352227057 /nfs/dbraw/zinc/22/70/57/1352227057.db2.gz XPCKRRPSQJWZMZ-UHFFFAOYSA-N -1 1 328.296 2.167 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)N2CCCC2)o1 ZINC001610492405 1352232282 /nfs/dbraw/zinc/23/22/82/1352232282.db2.gz GLTTWJIGMVVCPT-ZNMIVQPWSA-N -1 1 349.431 2.230 20 0 EEADMM Cc1cccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@H]2C)c1C ZINC001610524517 1352238577 /nfs/dbraw/zinc/23/85/77/1352238577.db2.gz WFGXWLZGKRWPHC-CYBMUJFWSA-N -1 1 335.473 2.481 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]C[C@H](OC)C(F)(F)F)C1CCCCC1 ZINC000849374465 1339155442 /nfs/dbraw/zinc/15/54/42/1339155442.db2.gz BTHBNYRKFUWKSH-RYUDHWBXSA-N -1 1 347.399 2.078 20 0 EEADMM O=C([O-])c1coc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC001610867911 1352287777 /nfs/dbraw/zinc/28/77/77/1352287777.db2.gz SCZYUOYEMPRXPR-CYBMUJFWSA-N -1 1 334.759 2.418 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1[nH]nc2c1CCC2 ZINC001610879309 1352289646 /nfs/dbraw/zinc/28/96/46/1352289646.db2.gz SXYHTVPLZYVNAV-CYBMUJFWSA-N -1 1 334.759 2.405 20 0 EEADMM CCC1(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CCCC2)CC1 ZINC001432509410 1341311047 /nfs/dbraw/zinc/31/10/47/1341311047.db2.gz OOQHSJJYWOXYPS-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1CCCCCC1 ZINC001432965534 1341447653 /nfs/dbraw/zinc/44/76/53/1341447653.db2.gz ZFELOCZVTVBHJK-ZDUSSCGKSA-N -1 1 333.432 2.240 20 0 EEADMM CC[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434141318 1341777227 /nfs/dbraw/zinc/77/72/27/1341777227.db2.gz QHZSTJTXNVTRIT-TZMCWYRMSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)Nc2c[n-][nH]c2=O)s1 ZINC001434434321 1341843806 /nfs/dbraw/zinc/84/38/06/1341843806.db2.gz YQYGXGGASYZLRK-UHFFFAOYSA-N -1 1 325.350 2.171 20 0 EEADMM CC1(C(=O)Nc2cc([O-])c(F)cc2F)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC001553615119 1342354779 /nfs/dbraw/zinc/35/47/79/1342354779.db2.gz DCYSIXBFEPPIPB-DWLXGCBVSA-N -1 1 345.367 2.355 20 0 EEADMM CCCC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577203010 1344103779 /nfs/dbraw/zinc/10/37/79/1344103779.db2.gz NELUNHJBJGGUKF-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)N[C@H](C)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577203010 1344103787 /nfs/dbraw/zinc/10/37/87/1344103787.db2.gz NELUNHJBJGGUKF-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001577396552 1344140773 /nfs/dbraw/zinc/14/07/73/1344140773.db2.gz WAICSTYKYATHLL-SECBINFHSA-N -1 1 337.453 2.081 20 0 EEADMM CCCCC(=O)N[C@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577407970 1344143423 /nfs/dbraw/zinc/14/34/23/1344143423.db2.gz GTKDVIYWDOTWND-BDAKNGLRSA-N -1 1 337.453 2.127 20 0 EEADMM CCOC(=O)c1ncc(COc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001578255684 1344255968 /nfs/dbraw/zinc/25/59/68/1344255968.db2.gz OCFWBINYQVCLRE-UHFFFAOYSA-N -1 1 349.347 2.218 20 0 EEADMM CCOC(=O)c1ncc(COc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001578255684 1344255971 /nfs/dbraw/zinc/25/59/71/1344255971.db2.gz OCFWBINYQVCLRE-UHFFFAOYSA-N -1 1 349.347 2.218 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001578514586 1344286474 /nfs/dbraw/zinc/28/64/74/1344286474.db2.gz DFFJBCGVOWLSCX-UHFFFAOYSA-N -1 1 343.778 2.054 20 0 EEADMM CCc1cc(Cl)cnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001578514586 1344286477 /nfs/dbraw/zinc/28/64/77/1344286477.db2.gz DFFJBCGVOWLSCX-UHFFFAOYSA-N -1 1 343.778 2.054 20 0 EEADMM COCOc1ccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001579820567 1344418078 /nfs/dbraw/zinc/41/80/78/1344418078.db2.gz VEISRIVXOFMYPB-UHFFFAOYSA-N -1 1 329.316 2.003 20 0 EEADMM COCOc1ccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001579820567 1344418080 /nfs/dbraw/zinc/41/80/80/1344418080.db2.gz VEISRIVXOFMYPB-UHFFFAOYSA-N -1 1 329.316 2.003 20 0 EEADMM COc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC001579988253 1344443555 /nfs/dbraw/zinc/44/35/55/1344443555.db2.gz CKSPDAHNAGGCHO-UHFFFAOYSA-N -1 1 341.375 2.079 20 0 EEADMM COc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC001579988253 1344443559 /nfs/dbraw/zinc/44/35/59/1344443559.db2.gz CKSPDAHNAGGCHO-UHFFFAOYSA-N -1 1 341.375 2.079 20 0 EEADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001581053108 1344584742 /nfs/dbraw/zinc/58/47/42/1344584742.db2.gz HPEYIMXJLKRNGV-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001581053108 1344584745 /nfs/dbraw/zinc/58/47/45/1344584745.db2.gz HPEYIMXJLKRNGV-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1oc(Br)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581729350 1344659361 /nfs/dbraw/zinc/65/93/61/1344659361.db2.gz WANDXBZOVVSZTG-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(Br)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581729350 1344659364 /nfs/dbraw/zinc/65/93/64/1344659364.db2.gz WANDXBZOVVSZTG-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3ccncn3)C2)nc1-c1nnn[n-]1 ZINC001581746313 1344660602 /nfs/dbraw/zinc/66/06/02/1344660602.db2.gz RATNOKMXGNCWCD-JTQLQIEISA-N -1 1 342.794 2.089 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3ccncn3)C2)nc1-c1nn[n-]n1 ZINC001581746313 1344660607 /nfs/dbraw/zinc/66/06/07/1344660607.db2.gz RATNOKMXGNCWCD-JTQLQIEISA-N -1 1 342.794 2.089 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccccc1C(F)(F)F ZINC001581909039 1344687641 /nfs/dbraw/zinc/68/76/41/1344687641.db2.gz NCGOQHRUTWSDMX-AATRIKPKSA-N -1 1 349.276 2.018 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccsc1-c1nnn[n-]1 ZINC001582472296 1344752836 /nfs/dbraw/zinc/75/28/36/1344752836.db2.gz QLOJNEUKAKVOSQ-NSHDSACASA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccsc1-c1nn[n-]n1 ZINC001582472296 1344752837 /nfs/dbraw/zinc/75/28/37/1344752837.db2.gz QLOJNEUKAKVOSQ-NSHDSACASA-N -1 1 339.424 2.463 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H](O)C1CCCCCCC1 ZINC001582548908 1344760674 /nfs/dbraw/zinc/76/06/74/1344760674.db2.gz YYACHFUDXFNPDW-CQSZACIVSA-N -1 1 349.460 2.266 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CC1CC1)CC1CC1 ZINC001582549200 1344760894 /nfs/dbraw/zinc/76/08/94/1344760894.db2.gz RKLVKWCZWWWSAY-UHFFFAOYSA-N -1 1 332.433 2.260 20 0 EEADMM O=C(Nc1cc(-c2cccs2)on1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582632401 1344771247 /nfs/dbraw/zinc/77/12/47/1344771247.db2.gz HOJTZILRZQDNBP-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1cc(-c2cccs2)on1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582632401 1344771249 /nfs/dbraw/zinc/77/12/49/1344771249.db2.gz HOJTZILRZQDNBP-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM CC(=Cc1ccccn1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588772346 1348933896 /nfs/dbraw/zinc/93/38/96/1348933896.db2.gz NFLIYTAUTQKPNC-CSKARUKUSA-N -1 1 326.385 2.043 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001589058118 1348955744 /nfs/dbraw/zinc/95/57/44/1348955744.db2.gz JMHNNVKOHMXHJY-UHFFFAOYSA-N -1 1 331.767 2.160 20 0 EEADMM CC(C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001589058118 1348955747 /nfs/dbraw/zinc/95/57/47/1348955747.db2.gz JMHNNVKOHMXHJY-UHFFFAOYSA-N -1 1 331.767 2.160 20 0 EEADMM CC(C)(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589119513 1348961975 /nfs/dbraw/zinc/96/19/75/1348961975.db2.gz WYVHJQGJPVJWFR-VIFPVBQESA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589119513 1348961981 /nfs/dbraw/zinc/96/19/81/1348961981.db2.gz WYVHJQGJPVJWFR-VIFPVBQESA-N -1 1 344.341 2.490 20 0 EEADMM CC(C)(C)c1cc(NC(=O)c2ccncn2)c(-c2nnn[n-]2)s1 ZINC001589214970 1348970772 /nfs/dbraw/zinc/97/07/72/1348970772.db2.gz GOIALIRGZRJHNX-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1cc(NC(=O)c2ccncn2)c(-c2nn[n-]n2)s1 ZINC001589214970 1348970775 /nfs/dbraw/zinc/97/07/75/1348970775.db2.gz GOIALIRGZRJHNX-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589283411 1348978942 /nfs/dbraw/zinc/97/89/42/1348978942.db2.gz QEKNGAICZYVSBY-UHFFFAOYSA-N -1 1 337.387 2.361 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589283411 1348978948 /nfs/dbraw/zinc/97/89/48/1348978948.db2.gz QEKNGAICZYVSBY-UHFFFAOYSA-N -1 1 337.387 2.361 20 0 EEADMM CC(C)CC[C@@H]1CCCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589586006 1349007123 /nfs/dbraw/zinc/00/71/23/1349007123.db2.gz HHBZTGDNFKHVMR-AWEZNQCLSA-N -1 1 330.436 2.277 20 0 EEADMM CC(C)CC[C@@H]1CCCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589586006 1349007128 /nfs/dbraw/zinc/00/71/28/1349007128.db2.gz HHBZTGDNFKHVMR-AWEZNQCLSA-N -1 1 330.436 2.277 20 0 EEADMM CC(C)N(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589679558 1349020884 /nfs/dbraw/zinc/02/08/84/1349020884.db2.gz ZFVSMPXSOXYZNR-UHFFFAOYSA-N -1 1 348.716 2.328 20 0 EEADMM CC(C)O[C@H](Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001589738339 1349026666 /nfs/dbraw/zinc/02/66/66/1349026666.db2.gz UWXIJCBIRAFCMC-OAHLLOKOSA-N -1 1 325.372 2.195 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2c2ccnc(-c3nnn[n-]3)c2)no1 ZINC001589775822 1349036751 /nfs/dbraw/zinc/03/67/51/1349036751.db2.gz RAMKKRHJBZSQGC-CYBMUJFWSA-N -1 1 340.391 2.500 20 0 EEADMM CC(C)c1nc([C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)c2)no1 ZINC001589775822 1349036757 /nfs/dbraw/zinc/03/67/57/1349036757.db2.gz RAMKKRHJBZSQGC-CYBMUJFWSA-N -1 1 340.391 2.500 20 0 EEADMM C[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1ccc(Cl)cc1 ZINC001589869015 1349054284 /nfs/dbraw/zinc/05/42/84/1349054284.db2.gz IZEBRGHTNGUZEM-VIFPVBQESA-N -1 1 347.762 2.310 20 0 EEADMM C[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1ccc(Cl)cc1 ZINC001589869015 1349054285 /nfs/dbraw/zinc/05/42/85/1349054285.db2.gz IZEBRGHTNGUZEM-VIFPVBQESA-N -1 1 347.762 2.310 20 0 EEADMM CC(F)(F)CCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589907001 1349060046 /nfs/dbraw/zinc/06/00/46/1349060046.db2.gz GCTBUFKWEUBGKG-UHFFFAOYSA-N -1 1 331.273 2.197 20 0 EEADMM CC(F)(F)CCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589907001 1349060050 /nfs/dbraw/zinc/06/00/50/1349060050.db2.gz GCTBUFKWEUBGKG-UHFFFAOYSA-N -1 1 331.273 2.197 20 0 EEADMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001589982803 1349092493 /nfs/dbraw/zinc/09/24/93/1349092493.db2.gz XXJAXXDSFWRNKJ-SNVBAGLBSA-N -1 1 339.407 2.485 20 0 EEADMM CC(C)n1cc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001589982803 1349092502 /nfs/dbraw/zinc/09/25/02/1349092502.db2.gz XXJAXXDSFWRNKJ-SNVBAGLBSA-N -1 1 339.407 2.485 20 0 EEADMM CC1(C)N[C@@H](c2csc(-c3nn[n-]n3)c2)N(CC2CCCC2)C1=O ZINC001590115902 1349161887 /nfs/dbraw/zinc/16/18/87/1349161887.db2.gz YNRPAXMAQVDXBV-CQSZACIVSA-N -1 1 346.460 2.327 20 0 EEADMM C[C@]1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1(Cl)Cl ZINC001590137368 1349171311 /nfs/dbraw/zinc/17/13/11/1349171311.db2.gz XPJOQQHQWFSVMK-LLVKDONJSA-N -1 1 328.159 2.002 20 0 EEADMM C[C@]1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1(Cl)Cl ZINC001590137368 1349171320 /nfs/dbraw/zinc/17/13/20/1349171320.db2.gz XPJOQQHQWFSVMK-LLVKDONJSA-N -1 1 328.159 2.002 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590141791 1349172214 /nfs/dbraw/zinc/17/22/14/1349172214.db2.gz NWIFAIHKGGUUEJ-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@]1(Cc2cccs2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590141791 1349172222 /nfs/dbraw/zinc/17/22/22/1349172222.db2.gz NWIFAIHKGGUUEJ-OAHLLOKOSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001590165952 1349181562 /nfs/dbraw/zinc/18/15/62/1349181562.db2.gz QUUIIJRIQHIRAG-HERUPUMHSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001590165952 1349181568 /nfs/dbraw/zinc/18/15/68/1349181568.db2.gz QUUIIJRIQHIRAG-HERUPUMHSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590215416 1349203413 /nfs/dbraw/zinc/20/34/13/1349203413.db2.gz WNTHGAMPMGOTDA-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590215416 1349203421 /nfs/dbraw/zinc/20/34/21/1349203421.db2.gz WNTHGAMPMGOTDA-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@@H]1COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590221379 1349208330 /nfs/dbraw/zinc/20/83/30/1349208330.db2.gz RXJQAGODHYSEOC-POYBYMJQSA-N -1 1 327.266 2.093 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590250044 1349226517 /nfs/dbraw/zinc/22/65/17/1349226517.db2.gz NOGBNVKXPPQZEW-JQWIXIFHSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC2(CCC2)O1 ZINC001590316657 1349261323 /nfs/dbraw/zinc/26/13/23/1349261323.db2.gz PLLQALGXJMQAKM-SSDOTTSWSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC2(CCC2)O1 ZINC001590316657 1349261328 /nfs/dbraw/zinc/26/13/28/1349261328.db2.gz PLLQALGXJMQAKM-SSDOTTSWSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590329588 1349268588 /nfs/dbraw/zinc/26/85/88/1349268588.db2.gz OZLJINVRNBHZCM-MEBBXXQBSA-N -1 1 337.339 2.188 20 0 EEADMM C[C@@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590329588 1349268595 /nfs/dbraw/zinc/26/85/95/1349268595.db2.gz OZLJINVRNBHZCM-MEBBXXQBSA-N -1 1 337.339 2.188 20 0 EEADMM CC[C@@H](C)CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001590406638 1349308186 /nfs/dbraw/zinc/30/81/86/1349308186.db2.gz QIJPCLPCAOJQPQ-SSDOTTSWSA-N -1 1 339.197 2.399 20 0 EEADMM CC[C@@H](C)CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001590406638 1349308192 /nfs/dbraw/zinc/30/81/92/1349308192.db2.gz QIJPCLPCAOJQPQ-SSDOTTSWSA-N -1 1 339.197 2.399 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)ccn1 ZINC001590417445 1349313996 /nfs/dbraw/zinc/31/39/96/1349313996.db2.gz UWVCTBAWXDRNIK-LLVKDONJSA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](C)Oc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)ccn1 ZINC001590417445 1349314000 /nfs/dbraw/zinc/31/40/00/1349314000.db2.gz UWVCTBAWXDRNIK-LLVKDONJSA-N -1 1 340.391 2.150 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)Oc1cccc(C)c1 ZINC001590442585 1349327325 /nfs/dbraw/zinc/32/73/25/1349327325.db2.gz BPVMZPOAYAAFRH-LBPRGKRZSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)Oc1cccc(C)c1 ZINC001590442585 1349327330 /nfs/dbraw/zinc/32/73/30/1349327330.db2.gz BPVMZPOAYAAFRH-LBPRGKRZSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001590449028 1349331082 /nfs/dbraw/zinc/33/10/82/1349331082.db2.gz OUJYLGHJNUQZKD-QMMMGPOBSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)CC(F)(F)F ZINC001590449028 1349331088 /nfs/dbraw/zinc/33/10/88/1349331088.db2.gz OUJYLGHJNUQZKD-QMMMGPOBSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C(OC)OC ZINC001590471662 1349345496 /nfs/dbraw/zinc/34/54/96/1349345496.db2.gz LFGVDXPHTNRPFO-QMMMGPOBSA-N -1 1 346.313 2.090 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C(OC)OC ZINC001590471662 1349345502 /nfs/dbraw/zinc/34/55/02/1349345502.db2.gz LFGVDXPHTNRPFO-QMMMGPOBSA-N -1 1 346.313 2.090 20 0 EEADMM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590512184 1349361623 /nfs/dbraw/zinc/36/16/23/1349361623.db2.gz PQRBFIBAZHLWEJ-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590512184 1349361628 /nfs/dbraw/zinc/36/16/28/1349361628.db2.gz PQRBFIBAZHLWEJ-ZYHUDNBSSA-N -1 1 332.412 2.033 20 0 EEADMM CCCCC[C@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001590590652 1349375521 /nfs/dbraw/zinc/37/55/21/1349375521.db2.gz RBSKUKUONRRSOA-NSHDSACASA-N -1 1 336.348 2.047 20 0 EEADMM CCCCC[C@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001590590652 1349375527 /nfs/dbraw/zinc/37/55/27/1349375527.db2.gz RBSKUKUONRRSOA-NSHDSACASA-N -1 1 336.348 2.047 20 0 EEADMM CCNc1nc(C)c(C(=O)OCc2ccc(-c3nnn[n-]3)o2)s1 ZINC001590749255 1349395810 /nfs/dbraw/zinc/39/58/10/1349395810.db2.gz ZYIVJZUHCDQDFA-UHFFFAOYSA-N -1 1 334.361 2.013 20 0 EEADMM CCNc1nc(C)c(C(=O)OCc2ccc(-c3nn[n-]n3)o2)s1 ZINC001590749255 1349395814 /nfs/dbraw/zinc/39/58/14/1349395814.db2.gz ZYIVJZUHCDQDFA-UHFFFAOYSA-N -1 1 334.361 2.013 20 0 EEADMM CCc1nc(NCc2nc3ccccc3s2)cc(-c2nnn[n-]2)n1 ZINC001590922743 1349412411 /nfs/dbraw/zinc/41/24/11/1349412411.db2.gz NXQORCOPYDKSEM-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCc1nc(NCc2nc3ccccc3s2)cc(-c2nn[n-]n2)n1 ZINC001590922743 1349412413 /nfs/dbraw/zinc/41/24/13/1349412413.db2.gz NXQORCOPYDKSEM-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591355234 1349469584 /nfs/dbraw/zinc/46/95/84/1349469584.db2.gz NGAGMZFPUCDYNT-RNFRBKRXSA-N -1 1 342.812 2.120 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2cc(C)c(Cl)cc2C)nn1C ZINC001591935252 1349559694 /nfs/dbraw/zinc/55/96/94/1349559694.db2.gz JBOOVEWROKGCTD-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2cc(C)c(Cl)cc2C)nn1C ZINC001591935252 1349559702 /nfs/dbraw/zinc/55/97/02/1349559702.db2.gz JBOOVEWROKGCTD-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1cc(F)ccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591992054 1349579658 /nfs/dbraw/zinc/57/96/58/1349579658.db2.gz JEQVLMQUGFBDAM-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM Cc1ccc2[nH]cc(CCNC(=O)c3cccc(-c4nnn[n-]4)n3)c2c1 ZINC001592198815 1349604785 /nfs/dbraw/zinc/60/47/85/1349604785.db2.gz OUEMHYHVUQZIHJ-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1ccc2[nH]cc(CCNC(=O)c3cccc(-c4nn[n-]n4)n3)c2c1 ZINC001592198815 1349604786 /nfs/dbraw/zinc/60/47/86/1349604786.db2.gz OUEMHYHVUQZIHJ-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccsc2C(F)F)c1-c1nnn[n-]1 ZINC001592433327 1349631848 /nfs/dbraw/zinc/63/18/48/1349631848.db2.gz ZMGBDYWXYAKLFV-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccsc2C(F)F)c1-c1nn[n-]n1 ZINC001592433327 1349631850 /nfs/dbraw/zinc/63/18/50/1349631850.db2.gz ZMGBDYWXYAKLFV-UHFFFAOYSA-N -1 1 339.331 2.160 20 0 EEADMM Cc1nsc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592472175 1349634829 /nfs/dbraw/zinc/63/48/29/1349634829.db2.gz UEYLHFZJDKFBHZ-POYBYMJQSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1nsc(NC[C@H](O)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592488031 1349636386 /nfs/dbraw/zinc/63/63/86/1349636386.db2.gz OPHKAZDXHFQIJW-SKDRFNHKSA-N -1 1 330.417 2.208 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC1(C)CC1 ZINC001592504963 1349642822 /nfs/dbraw/zinc/64/28/22/1349642822.db2.gz UTMOXDQWXSIKBH-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC1(C)CC1 ZINC001592504963 1349642827 /nfs/dbraw/zinc/64/28/27/1349642827.db2.gz UTMOXDQWXSIKBH-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592510752 1349643399 /nfs/dbraw/zinc/64/33/99/1349643399.db2.gz WZXZFGNHOJXBKE-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592510752 1349643400 /nfs/dbraw/zinc/64/34/00/1349643400.db2.gz WZXZFGNHOJXBKE-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Clc1ncc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)s1 ZINC001592538396 1349652235 /nfs/dbraw/zinc/65/22/35/1349652235.db2.gz SPIVARDFLPDRPE-UHFFFAOYSA-N -1 1 344.791 2.283 20 0 EEADMM Clc1sc(N2CCC(c3ccon3)CC2)nc1-c1nn[n-]n1 ZINC001592541504 1349653660 /nfs/dbraw/zinc/65/36/60/1349653660.db2.gz ANLOVBGCCPVXIW-UHFFFAOYSA-N -1 1 337.796 2.349 20 0 EEADMM Cn1nccc1[C@@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592605756 1349668060 /nfs/dbraw/zinc/66/80/60/1349668060.db2.gz BTPSFKLGDZCDHY-QMMMGPOBSA-N -1 1 336.812 2.052 20 0 EEADMM Cn1nccc1[C@@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592605756 1349668062 /nfs/dbraw/zinc/66/80/62/1349668062.db2.gz BTPSFKLGDZCDHY-QMMMGPOBSA-N -1 1 336.812 2.052 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001592621886 1349676291 /nfs/dbraw/zinc/67/62/91/1349676291.db2.gz DDPYQQUCLMYYHI-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001592621886 1349676293 /nfs/dbraw/zinc/67/62/93/1349676293.db2.gz DDPYQQUCLMYYHI-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM F[C@H]1COc2ccccc2[C@@H]1NCc1ccc(-c2nn[n-]n2)s1 ZINC001592632465 1349682104 /nfs/dbraw/zinc/68/21/04/1349682104.db2.gz XNVPTNRTZJNILH-FZMZJTMJSA-N -1 1 331.376 2.490 20 0 EEADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592955397 1349729688 /nfs/dbraw/zinc/72/96/88/1349729688.db2.gz PTNCMBJCSKKBHI-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592955397 1349729691 /nfs/dbraw/zinc/72/96/91/1349729691.db2.gz PTNCMBJCSKKBHI-ZDUSSCGKSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001593136320 1349739396 /nfs/dbraw/zinc/73/93/96/1349739396.db2.gz KKFCRKCUGVLVPW-QWHCGFSZSA-N -1 1 343.387 2.487 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c(F)ccnc1Cl ZINC001593136453 1349740108 /nfs/dbraw/zinc/74/01/08/1349740108.db2.gz NCOZGOWIMTZEQA-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593192469 1349744721 /nfs/dbraw/zinc/74/47/21/1349744721.db2.gz OZGAJZRGIULOBT-AULYBMBSSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593192469 1349744723 /nfs/dbraw/zinc/74/47/23/1349744723.db2.gz OZGAJZRGIULOBT-AULYBMBSSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(-c2ccccc2)no1 ZINC001593244978 1349749125 /nfs/dbraw/zinc/74/91/25/1349749125.db2.gz AIIOARDHIJYJSS-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(-c2ccccc2)no1 ZINC001593244978 1349749129 /nfs/dbraw/zinc/74/91/29/1349749129.db2.gz AIIOARDHIJYJSS-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1nc2c(s1)CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593268852 1349756323 /nfs/dbraw/zinc/75/63/23/1349756323.db2.gz AOMDLKXXKMTERP-UHFFFAOYSA-N -1 1 330.348 2.203 20 0 EEADMM O=C(Nc1nc2c(s1)CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593268852 1349756325 /nfs/dbraw/zinc/75/63/25/1349756325.db2.gz AOMDLKXXKMTERP-UHFFFAOYSA-N -1 1 330.348 2.203 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001593286537 1349764862 /nfs/dbraw/zinc/76/48/62/1349764862.db2.gz JCFLROLUDORHAG-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(OCCC(Cl)(Cl)Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001593286537 1349764867 /nfs/dbraw/zinc/76/48/67/1349764867.db2.gz JCFLROLUDORHAG-UHFFFAOYSA-N -1 1 336.566 2.179 20 0 EEADMM O=C(OCCOC1CCCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593290034 1349765562 /nfs/dbraw/zinc/76/55/62/1349765562.db2.gz CUHAQUDISXECBY-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCCOC1CCCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593290034 1349765565 /nfs/dbraw/zinc/76/55/65/1349765565.db2.gz CUHAQUDISXECBY-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1OCCc2ccccc21 ZINC001593299545 1349771829 /nfs/dbraw/zinc/77/18/29/1349771829.db2.gz WSIBDRHOGSZGOG-CQSZACIVSA-N -1 1 342.380 2.285 20 0 EEADMM O=C(OCc1cn2ccccc2n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593302738 1349774448 /nfs/dbraw/zinc/77/44/48/1349774448.db2.gz ADYNNEVEPNDXRQ-UHFFFAOYSA-N -1 1 338.302 2.011 20 0 EEADMM O=C(OCc1cn2ccccc2n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593302738 1349774449 /nfs/dbraw/zinc/77/44/49/1349774449.db2.gz ADYNNEVEPNDXRQ-UHFFFAOYSA-N -1 1 338.302 2.011 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC[C@@H](c2ccco2)C1 ZINC001593329867 1349782779 /nfs/dbraw/zinc/78/27/79/1349782779.db2.gz XSIPNCQZUQWGBI-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC[C@@H](c2ccco2)C1 ZINC001593329867 1349782784 /nfs/dbraw/zinc/78/27/84/1349782784.db2.gz XSIPNCQZUQWGBI-SECBINFHSA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC001593358093 1349789236 /nfs/dbraw/zinc/78/92/36/1349789236.db2.gz BNCMRAAHRWLLPE-INIZCTEOSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC001593358093 1349789241 /nfs/dbraw/zinc/78/92/41/1349789241.db2.gz BNCMRAAHRWLLPE-INIZCTEOSA-N -1 1 348.410 2.499 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc3cnccc3c1)CCC2 ZINC001593490937 1349817592 /nfs/dbraw/zinc/81/75/92/1349817592.db2.gz UDZYVRKNNAZSRD-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM OC1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCCCC1 ZINC001593514666 1349827722 /nfs/dbraw/zinc/82/77/22/1349827722.db2.gz FDCXMVSOYATYAQ-UHFFFAOYSA-N -1 1 328.829 2.474 20 0 EEADMM OC1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCCCC1 ZINC001593514666 1349827727 /nfs/dbraw/zinc/82/77/27/1349827727.db2.gz FDCXMVSOYATYAQ-UHFFFAOYSA-N -1 1 328.829 2.474 20 0 EEADMM c1c(NC[C@H]2CCC23CCOCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543126 1349838320 /nfs/dbraw/zinc/83/83/20/1349838320.db2.gz CTRQXWBJNITBAW-GFCCVEGCSA-N -1 1 341.419 2.153 20 0 EEADMM c1c(NC[C@H]2CCC23CCOCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543126 1349838325 /nfs/dbraw/zinc/83/83/25/1349838325.db2.gz CTRQXWBJNITBAW-GFCCVEGCSA-N -1 1 341.419 2.153 20 0 EEADMM c1ccc(CCOCCCOc2cccnc2-c2nnn[n-]2)cc1 ZINC001593574957 1349858273 /nfs/dbraw/zinc/85/82/73/1349858273.db2.gz FRNYFYHUGWQGMH-UHFFFAOYSA-N -1 1 325.372 2.290 20 0 EEADMM c1ccc(CCOCCCOc2cccnc2-c2nn[n-]n2)cc1 ZINC001593574957 1349858278 /nfs/dbraw/zinc/85/82/78/1349858278.db2.gz FRNYFYHUGWQGMH-UHFFFAOYSA-N -1 1 325.372 2.290 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593580092 1349860481 /nfs/dbraw/zinc/86/04/81/1349860481.db2.gz MGSPJMSKOIMBKV-GXTWGEPZSA-N -1 1 337.387 2.037 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@@H]1C[C@H]1C1CCOCC1 ZINC001593580092 1349860484 /nfs/dbraw/zinc/86/04/84/1349860484.db2.gz MGSPJMSKOIMBKV-GXTWGEPZSA-N -1 1 337.387 2.037 20 0 EEADMM c1sc(CN2CCc3c4ccccc4[nH]c3C2)nc1-c1nnn[n-]1 ZINC001593582460 1349862683 /nfs/dbraw/zinc/86/26/83/1349862683.db2.gz MRAZQEQBLYCFAJ-UHFFFAOYSA-N -1 1 337.412 2.363 20 0 EEADMM c1sc(CN2CCc3c4ccccc4[nH]c3C2)nc1-c1nn[n-]n1 ZINC001593582460 1349862687 /nfs/dbraw/zinc/86/26/87/1349862687.db2.gz MRAZQEQBLYCFAJ-UHFFFAOYSA-N -1 1 337.412 2.363 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2ccc(Br)nc2)n1C ZINC001599993927 1349951399 /nfs/dbraw/zinc/95/13/99/1349951399.db2.gz JVMHUMCGKATVSM-UHFFFAOYSA-N -1 1 338.205 2.479 20 0 EEADMM Cc1cc([C@@H](NC(=O)Cc2[nH]nc3ccccc32)C(=O)[O-])ccc1F ZINC001600150748 1349980854 /nfs/dbraw/zinc/98/08/54/1349980854.db2.gz QAGWHJIGHRXKJM-QGZVFWFLSA-N -1 1 341.342 2.495 20 0 EEADMM Cc1cc(CCC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)n[nH]1 ZINC001600187941 1349988033 /nfs/dbraw/zinc/98/80/33/1349988033.db2.gz DASGZMAPAAGPIR-UHFFFAOYSA-N -1 1 341.367 2.454 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)n[nH]1 ZINC001600189155 1349988732 /nfs/dbraw/zinc/98/87/32/1349988732.db2.gz LJDJUEOGHSEQFK-QMMMGPOBSA-N -1 1 342.359 2.045 20 0 EEADMM Cc1cc(CNCc2cccc(OCC(=O)N(C)C)c2)oc1C(=O)[O-] ZINC001600209441 1349993513 /nfs/dbraw/zinc/99/35/13/1349993513.db2.gz HWBOUHFMEVSADH-UHFFFAOYSA-N -1 1 346.383 2.043 20 0 EEADMM Cc1ccc(-c2nnc(CN3CCN(CCC(=O)[O-])C[C@H]3C)o2)cc1 ZINC001600319123 1350019116 /nfs/dbraw/zinc/01/91/16/1350019116.db2.gz FQNWSZUOKQTQKM-CQSZACIVSA-N -1 1 344.415 2.026 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@@H](N)c2ccccc2C)C(=O)[O-])c1 ZINC001600528068 1350074213 /nfs/dbraw/zinc/07/42/13/1350074213.db2.gz SKFCTJJZMLYJSM-AEFFLSMTSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1cccc2nc(CNC(=O)Nc3cc(C(=O)[O-])n(C)c3)[nH]c21 ZINC001600555252 1350081415 /nfs/dbraw/zinc/08/14/15/1350081415.db2.gz MMVWRDLBZSIHLC-UHFFFAOYSA-N -1 1 327.344 2.230 20 0 EEADMM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC001600570984 1350085590 /nfs/dbraw/zinc/08/55/90/1350085590.db2.gz ZKBASJKXDFVJIG-QGZVFWFLSA-N -1 1 345.443 2.344 20 0 EEADMM Cc1ccccc1[C@H](CO)NCC(=O)Nc1ccsc1C(=O)[O-] ZINC001600570381 1350085937 /nfs/dbraw/zinc/08/59/37/1350085937.db2.gz RBLISFITAWWVBX-ZDUSSCGKSA-N -1 1 334.397 2.016 20 0 EEADMM Cc1csc(CC2(O)CCN([C@H](C(=O)[O-])c3cccnc3)CC2)n1 ZINC001600658767 1350111418 /nfs/dbraw/zinc/11/14/18/1350111418.db2.gz NYGLGOAFKGIQDP-HNNXBMFYSA-N -1 1 347.440 2.042 20 0 EEADMM Cc1[nH]ncc1CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001600674500 1350114330 /nfs/dbraw/zinc/11/43/30/1350114330.db2.gz KBWJYQIXAHYRNL-CQSZACIVSA-N -1 1 342.399 2.336 20 0 EEADMM Cc1nc[nH]c1-c1nnc(N2CCC[C@@](C)(C(=O)[O-])C2)n1CC(C)C ZINC001600732249 1350124006 /nfs/dbraw/zinc/12/40/06/1350124006.db2.gz JZIMSNFDKNMVDQ-QGZVFWFLSA-N -1 1 346.435 2.324 20 0 EEADMM Cc1ncc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1C(=O)[O-] ZINC001600743476 1350126202 /nfs/dbraw/zinc/12/62/02/1350126202.db2.gz FSDVHDRYXAFZDK-UHFFFAOYSA-N -1 1 338.323 2.436 20 0 EEADMM Cc1nn(C)c(NS(=O)(=O)c2ccc(C(F)F)cc2)c1C(=O)[O-] ZINC001600773787 1350133356 /nfs/dbraw/zinc/13/33/56/1350133356.db2.gz ANSCLSXCCCQEPV-UHFFFAOYSA-N -1 1 345.327 2.165 20 0 EEADMM Cn1c(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)ccc1C(=O)[O-] ZINC001600918367 1350168306 /nfs/dbraw/zinc/16/83/06/1350168306.db2.gz OQZHNCDIQJYGES-OCCSQVGLSA-N -1 1 336.413 2.148 20 0 EEADMM Cn1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C(F)(F)F)n1 ZINC001600952876 1350175616 /nfs/dbraw/zinc/17/56/16/1350175616.db2.gz OKGDDGILIYQAFP-LLVKDONJSA-N -1 1 331.269 2.494 20 0 EEADMM Cn1nccc1[C@@H](NCc1ccccc1OCC(F)(F)F)C(=O)[O-] ZINC001601034419 1350194653 /nfs/dbraw/zinc/19/46/53/1350194653.db2.gz JMEJNTXYKHIFSZ-CYBMUJFWSA-N -1 1 343.305 2.277 20 0 EEADMM NC(=O)[C@@H](F)C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001601137790 1350219582 /nfs/dbraw/zinc/21/95/82/1350219582.db2.gz CTBUBSHXUWKDOQ-ZDUSSCGKSA-N -1 1 328.771 2.074 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001601302893 1350253172 /nfs/dbraw/zinc/25/31/72/1350253172.db2.gz BHTXBHKHQFQGIJ-QEJZJMRPSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001601567972 1350308441 /nfs/dbraw/zinc/30/84/41/1350308441.db2.gz CWYLCJUQNJICEM-CYBMUJFWSA-N -1 1 329.356 2.183 20 0 EEADMM O=C([O-])C12CCC(C(=O)NCc3n[nH]c(-c4ccccc4)n3)(CC1)C2 ZINC001601731000 1350350205 /nfs/dbraw/zinc/35/02/05/1350350205.db2.gz QYPHJFQZWCNGJX-UHFFFAOYSA-N -1 1 340.383 2.123 20 0 EEADMM O=C([O-])C12CCC(C(=O)NCc3nc(-c4ccccc4)n[nH]3)(CC1)C2 ZINC001601731000 1350350209 /nfs/dbraw/zinc/35/02/09/1350350209.db2.gz QYPHJFQZWCNGJX-UHFFFAOYSA-N -1 1 340.383 2.123 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](O)CN1CCOc1ccc(Oc2ccccc2)cc1 ZINC001601772134 1350360655 /nfs/dbraw/zinc/36/06/55/1350360655.db2.gz JKTMWLKKJMOXEI-RDTXWAMCSA-N -1 1 343.379 2.378 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2O)[C@@H]([C@@H]2CCCO2)C1 ZINC001601827592 1350374328 /nfs/dbraw/zinc/37/43/28/1350374328.db2.gz PKLMXHWQEATTTB-HONMWMINSA-N -1 1 337.347 2.016 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC001601949442 1350404041 /nfs/dbraw/zinc/40/40/41/1350404041.db2.gz ASFJBKHFFCCXBV-DOTOQJQBSA-N -1 1 343.427 2.422 20 0 EEADMM O=C([O-])CC[N@@H+](Cc1cc(C(=O)[O-])ccc1Cl)C1CCOCC1 ZINC001602006496 1350416882 /nfs/dbraw/zinc/41/68/82/1350416882.db2.gz DIJVPYBEVLQVCC-UHFFFAOYSA-N -1 1 341.791 2.494 20 0 EEADMM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CCN1CC[C@@H](F)C1 ZINC001602058045 1350429336 /nfs/dbraw/zinc/42/93/36/1350429336.db2.gz DWMARRLZPXKOEW-CQSZACIVSA-N -1 1 342.798 2.187 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC001602144922 1350450148 /nfs/dbraw/zinc/45/01/48/1350450148.db2.gz YBGYUEDIPLXYPM-KRWDZBQOSA-N -1 1 342.395 2.188 20 0 EEADMM O=C([O-])Cc1occc1C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001602155066 1350453097 /nfs/dbraw/zinc/45/30/97/1350453097.db2.gz BMBKLUCIPYHVRQ-UHFFFAOYSA-N -1 1 330.275 2.083 20 0 EEADMM O=C([O-])c1c2c(sc1NS(=O)(=O)c1ccsc1)COCC2 ZINC001602231812 1350471724 /nfs/dbraw/zinc/47/17/24/1350471724.db2.gz BBFAXDOTWVUAJH-UHFFFAOYSA-N -1 1 345.423 2.381 20 0 EEADMM O=C([O-])c1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)on1 ZINC001602255748 1350478409 /nfs/dbraw/zinc/47/84/09/1350478409.db2.gz OWPJHDKGISGYMR-UHFFFAOYSA-N -1 1 333.363 2.220 20 0 EEADMM O=C([O-])c1cccc(Cl)c1CN(CCOCCO)C1CCC1 ZINC001602442046 1350520317 /nfs/dbraw/zinc/52/03/17/1350520317.db2.gz WNIUBOPIBATNGZ-UHFFFAOYSA-N -1 1 327.808 2.402 20 0 EEADMM O=C([O-])c1cncc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC001602537080 1350541271 /nfs/dbraw/zinc/54/12/71/1350541271.db2.gz WUIGIOMCOSMGQH-UHFFFAOYSA-N -1 1 343.730 2.471 20 0 EEADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC2(CNC(=O)O2)CC1 ZINC001602657075 1350567223 /nfs/dbraw/zinc/56/72/23/1350567223.db2.gz AMNZKFGTXXCQKV-GFCCVEGCSA-N -1 1 342.754 2.179 20 0 EEADMM CC(=CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001602901359 1350603246 /nfs/dbraw/zinc/60/32/46/1350603246.db2.gz NCZPHPTVWDKOTM-YVMONPNESA-N -1 1 329.751 2.285 20 0 EEADMM CC(=CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001602901359 1350603252 /nfs/dbraw/zinc/60/32/52/1350603252.db2.gz NCZPHPTVWDKOTM-YVMONPNESA-N -1 1 329.751 2.285 20 0 EEADMM CC(=Cc1ccccn1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001602906580 1350603767 /nfs/dbraw/zinc/60/37/67/1350603767.db2.gz OGFZGLHSOJYDQB-VOTSOKGWSA-N -1 1 347.791 2.414 20 0 EEADMM CC(=O)c1ccc2c(c1)CCN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001602977127 1350616451 /nfs/dbraw/zinc/61/64/51/1350616451.db2.gz DSZIHVXMPRGYAM-UHFFFAOYSA-N -1 1 334.383 2.070 20 0 EEADMM CC(=O)c1ccc2c(c1)CCN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001602977127 1350616454 /nfs/dbraw/zinc/61/64/54/1350616454.db2.gz DSZIHVXMPRGYAM-UHFFFAOYSA-N -1 1 334.383 2.070 20 0 EEADMM CC(=O)c1cccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1O ZINC001602979054 1350616727 /nfs/dbraw/zinc/61/67/27/1350616727.db2.gz JZAKXPOWKPZKCU-UHFFFAOYSA-N -1 1 329.341 2.089 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001603050606 1350628166 /nfs/dbraw/zinc/62/81/66/1350628166.db2.gz VBAKLKKLKZYMJG-UHFFFAOYSA-N -1 1 329.385 2.344 20 0 EEADMM CC(C)(C(=O)OCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001603050606 1350628170 /nfs/dbraw/zinc/62/81/70/1350628170.db2.gz VBAKLKKLKZYMJG-UHFFFAOYSA-N -1 1 329.385 2.344 20 0 EEADMM CC(C)(C)c1ncc(CNCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001603125395 1350646010 /nfs/dbraw/zinc/64/60/10/1350646010.db2.gz LGIFFRDEXRNBEC-UHFFFAOYSA-N -1 1 335.462 2.367 20 0 EEADMM CC(C)(CC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603137356 1350647963 /nfs/dbraw/zinc/64/79/63/1350647963.db2.gz UXBIHORJLFBJIE-UHFFFAOYSA-N -1 1 348.716 2.376 20 0 EEADMM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1c[nH]cn1 ZINC001603231922 1350667448 /nfs/dbraw/zinc/66/74/48/1350667448.db2.gz LQKPNONHOIQAFJ-ZIAGYGMSSA-N -1 1 327.384 2.014 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603269920 1350676439 /nfs/dbraw/zinc/67/64/39/1350676439.db2.gz GNJIRODPMOGTTK-NEPJUHHUSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)OC(=O)N1CC(CNC(C)(C)c2nocc2C(=O)[O-])C1 ZINC001603382681 1350698949 /nfs/dbraw/zinc/69/89/49/1350698949.db2.gz FKDKKTSJXNGTFY-UHFFFAOYSA-N -1 1 339.392 2.064 20 0 EEADMM C[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001603449648 1350707084 /nfs/dbraw/zinc/70/70/84/1350707084.db2.gz WPRHIGBWNLJLSR-SSDOTTSWSA-N -1 1 333.302 2.000 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccsc1 ZINC001603640210 1350732861 /nfs/dbraw/zinc/73/28/61/1350732861.db2.gz FMFVWCNTAZBMIJ-ZETCQYMHSA-N -1 1 334.792 2.468 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cc(F)ccc1N(C)C ZINC001603671978 1350739622 /nfs/dbraw/zinc/73/96/22/1350739622.db2.gz JNGUATASCGWFBI-VIFPVBQESA-N -1 1 347.423 2.379 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cc(F)ccc1N(C)C ZINC001603671978 1350739626 /nfs/dbraw/zinc/73/96/26/1350739626.db2.gz JNGUATASCGWFBI-VIFPVBQESA-N -1 1 347.423 2.379 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603754710 1350758124 /nfs/dbraw/zinc/75/81/24/1350758124.db2.gz FLUYWUVYFRASGC-LBPRGKRZSA-N -1 1 341.297 2.068 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603754710 1350758129 /nfs/dbraw/zinc/75/81/29/1350758129.db2.gz FLUYWUVYFRASGC-LBPRGKRZSA-N -1 1 341.297 2.068 20 0 EEADMM CC1(C)CCC[C@@](O)(CNC(=O)c2csc(-c3nn[n-]n3)c2)CC1 ZINC001603773430 1350764446 /nfs/dbraw/zinc/76/44/46/1350764446.db2.gz DJPAVDGUMSOTKF-INIZCTEOSA-N -1 1 349.460 2.379 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001603880836 1350790849 /nfs/dbraw/zinc/79/08/49/1350790849.db2.gz ILUPSIGJDLZICK-IONNQARKSA-N -1 1 340.309 2.199 20 0 EEADMM CCC(C)(C)C(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001603982059 1350819146 /nfs/dbraw/zinc/81/91/46/1350819146.db2.gz HPEKHRKRFGRIGP-SREVYHEPSA-N -1 1 349.464 2.152 20 0 EEADMM CCC(CC)[C@H](CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1)OC ZINC001604022593 1350832197 /nfs/dbraw/zinc/83/21/97/1350832197.db2.gz GILKFVXXYRSMNB-ZDUSSCGKSA-N -1 1 347.423 2.225 20 0 EEADMM CCC(CC)[C@H](CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1)OC ZINC001604022593 1350832200 /nfs/dbraw/zinc/83/22/00/1350832200.db2.gz GILKFVXXYRSMNB-ZDUSSCGKSA-N -1 1 347.423 2.225 20 0 EEADMM C[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1cnn(C)c1 ZINC001604077727 1350848914 /nfs/dbraw/zinc/84/89/14/1350848914.db2.gz WZHKVTZMLDNLCP-SECBINFHSA-N -1 1 327.344 2.127 20 0 EEADMM C[C@](CC(=O)[O-])(NCc1cccc2[nH]c(=O)oc21)c1ccncc1 ZINC001604089256 1350853041 /nfs/dbraw/zinc/85/30/41/1350853041.db2.gz DKXKXMZEENPYAJ-QGZVFWFLSA-N -1 1 327.340 2.408 20 0 EEADMM CC[C@@H]1c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604116388 1350863314 /nfs/dbraw/zinc/86/33/14/1350863314.db2.gz PFEDHDMFIPGVGF-CYBMUJFWSA-N -1 1 338.375 2.099 20 0 EEADMM CC[C@@H]1c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604116388 1350863318 /nfs/dbraw/zinc/86/33/18/1350863318.db2.gz PFEDHDMFIPGVGF-CYBMUJFWSA-N -1 1 338.375 2.099 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CCn3c(cc4ccccc43)C2)n1 ZINC001604547605 1350958817 /nfs/dbraw/zinc/95/88/17/1350958817.db2.gz RWZAOPFLUGWRLE-UHFFFAOYSA-N -1 1 346.398 2.194 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CCn3c(cc4ccccc43)C2)n1 ZINC001604547605 1350958818 /nfs/dbraw/zinc/95/88/18/1350958818.db2.gz RWZAOPFLUGWRLE-UHFFFAOYSA-N -1 1 346.398 2.194 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3ccccc3F)C[C@H]2C)O1 ZINC001604610800 1350970424 /nfs/dbraw/zinc/97/04/24/1350970424.db2.gz ZOXNKGOEWVZTIQ-OCCSQVGLSA-N -1 1 334.391 2.484 20 0 EEADMM CC1=CCN(CCNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001604615384 1350970869 /nfs/dbraw/zinc/97/08/69/1350970869.db2.gz KTAISWUVGVQPFW-LPHOPBHVSA-N -1 1 328.412 2.013 20 0 EEADMM CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604728881 1350993066 /nfs/dbraw/zinc/99/30/66/1350993066.db2.gz GFATZNOSDRZOTO-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604728881 1350993068 /nfs/dbraw/zinc/99/30/68/1350993068.db2.gz GFATZNOSDRZOTO-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM C[C@@H]1CCc2ccccc2N1C(=O)CN1CCSC[C@H](C(=O)[O-])C1 ZINC001604762906 1350998568 /nfs/dbraw/zinc/99/85/68/1350998568.db2.gz BGCLWMSZRVGHPH-UKRRQHHQSA-N -1 1 348.468 2.104 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H](C)Cc1cccc(F)c1)C(=O)[O-] ZINC001604928758 1351032780 /nfs/dbraw/zinc/03/27/80/1351032780.db2.gz LCPQPLBINVIVSD-AHIWAGSCSA-N -1 1 338.423 2.304 20 0 EEADMM COC(=O)Nc1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001604953961 1351038198 /nfs/dbraw/zinc/03/81/98/1351038198.db2.gz SZBJMHLEKVQMQH-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM COC(=O)Nc1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001604953961 1351038202 /nfs/dbraw/zinc/03/82/02/1351038202.db2.gz SZBJMHLEKVQMQH-UHFFFAOYSA-N -1 1 325.332 2.052 20 0 EEADMM CO[C@@H](CC(C)C)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001605007852 1351051426 /nfs/dbraw/zinc/05/14/26/1351051426.db2.gz PRHIJHCFUKRLBI-VIFPVBQESA-N -1 1 345.325 2.108 20 0 EEADMM COCc1nc2cc(NCc3nc(-c4nnn[n-]4)cs3)ccc2o1 ZINC001605137930 1351086521 /nfs/dbraw/zinc/08/65/21/1351086521.db2.gz CISBAQHQCNVKIP-UHFFFAOYSA-N -1 1 343.372 2.223 20 0 EEADMM COCc1nc2cc(NCc3nc(-c4nn[n-]n4)cs3)ccc2o1 ZINC001605137930 1351086524 /nfs/dbraw/zinc/08/65/24/1351086524.db2.gz CISBAQHQCNVKIP-UHFFFAOYSA-N -1 1 343.372 2.223 20 0 EEADMM COc1cc(Cl)ccc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001605223131 1351108685 /nfs/dbraw/zinc/10/86/85/1351108685.db2.gz QKNYXZKCGXMCGK-UHFFFAOYSA-N -1 1 329.751 2.026 20 0 EEADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605307817 1351131823 /nfs/dbraw/zinc/13/18/23/1351131823.db2.gz GFJVXPXAXGVUJT-UHFFFAOYSA-N -1 1 339.355 2.451 20 0 EEADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605332929 1351138576 /nfs/dbraw/zinc/13/85/76/1351138576.db2.gz SPLBUFHDUYEQRM-LLVKDONJSA-N -1 1 341.371 2.172 20 0 EEADMM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605332929 1351138578 /nfs/dbraw/zinc/13/85/78/1351138578.db2.gz SPLBUFHDUYEQRM-LLVKDONJSA-N -1 1 341.371 2.172 20 0 EEADMM CS[C@H]1CCCCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605371156 1351146607 /nfs/dbraw/zinc/14/66/07/1351146607.db2.gz JDSPJGYGWQKMKB-JTQLQIEISA-N -1 1 335.408 2.364 20 0 EEADMM CS[C@H]1CCCCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605371156 1351146610 /nfs/dbraw/zinc/14/66/10/1351146610.db2.gz JDSPJGYGWQKMKB-JTQLQIEISA-N -1 1 335.408 2.364 20 0 EEADMM CSc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001605389393 1351151596 /nfs/dbraw/zinc/15/15/96/1351151596.db2.gz PUFXJQKNDURNEN-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CSc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001605389393 1351151598 /nfs/dbraw/zinc/15/15/98/1351151598.db2.gz PUFXJQKNDURNEN-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM Cc1c(-c2ccc3c(c2)C(C)(C)CO3)cc(-c2nn[n-]n2)c(=O)n1C ZINC001605462196 1351163358 /nfs/dbraw/zinc/16/33/58/1351163358.db2.gz ADRMYERAOCPFNU-UHFFFAOYSA-N -1 1 337.383 2.211 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001605563293 1351190974 /nfs/dbraw/zinc/19/09/74/1351190974.db2.gz ISNBJAODBUEBSF-GFCCVEGCSA-N -1 1 337.420 2.218 20 0 EEADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001605646519 1351209417 /nfs/dbraw/zinc/20/94/17/1351209417.db2.gz TVLNDSBBPASGET-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001605646519 1351209420 /nfs/dbraw/zinc/20/94/20/1351209420.db2.gz TVLNDSBBPASGET-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1cc(C)n(CCCNc2nc(-c3nn[n-]n3)c(Cl)s2)n1 ZINC001605649444 1351210003 /nfs/dbraw/zinc/21/00/03/1351210003.db2.gz GGRJSQBXUCFTGX-UHFFFAOYSA-N -1 1 338.828 2.292 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001605845686 1351234564 /nfs/dbraw/zinc/23/45/64/1351234564.db2.gz QBIOWCUCTCIPKI-ZJUUUORDSA-N -1 1 331.376 2.438 20 0 EEADMM Cc1cccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC001605913485 1351252665 /nfs/dbraw/zinc/25/26/65/1351252665.db2.gz OUCMNTJLUSAKBN-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC001605913485 1351252667 /nfs/dbraw/zinc/25/26/67/1351252667.db2.gz OUCMNTJLUSAKBN-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cccc2c1OCC[C@H]2OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605929061 1351255683 /nfs/dbraw/zinc/25/56/83/1351255683.db2.gz JCRPHDUELLMMLH-LLVKDONJSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1[nH]nc(NC(=O)CSc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606013661 1351263550 /nfs/dbraw/zinc/26/35/50/1351263550.db2.gz UIWNUYQQPURPBM-UHFFFAOYSA-N -1 1 349.807 2.282 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001606168538 1351280676 /nfs/dbraw/zinc/28/06/76/1351280676.db2.gz RLBCIMVHLBISDB-CSKARUKUSA-N -1 1 340.379 2.334 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001606168540 1351280983 /nfs/dbraw/zinc/28/09/83/1351280983.db2.gz RLBCIMVHLBISDB-NTMALXAHSA-N -1 1 340.379 2.334 20 0 EEADMM Clc1nc(N[C@H]2CCN(c3ccccn3)C2)sc1-c1nnn[n-]1 ZINC001606200098 1351284747 /nfs/dbraw/zinc/28/47/47/1351284747.db2.gz WPYWHBZBPVZNPG-QMMMGPOBSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1nc(N[C@H]2CCN(c3ccccn3)C2)sc1-c1nn[n-]n1 ZINC001606200098 1351284748 /nfs/dbraw/zinc/28/47/48/1351284748.db2.gz WPYWHBZBPVZNPG-QMMMGPOBSA-N -1 1 348.823 2.062 20 0 EEADMM CN1CCN(C(=O)c2cc3ccccc3cc2F)C[C@@H](C(=O)[O-])C1 ZINC001606235056 1351286521 /nfs/dbraw/zinc/28/65/21/1351286521.db2.gz AUDBEXZGJDBAIA-AWEZNQCLSA-N -1 1 330.359 2.067 20 0 EEADMM Fc1cccc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c1-c1nnn[n-]1 ZINC001606328774 1351293273 /nfs/dbraw/zinc/29/32/73/1351293273.db2.gz HUQAZNPKAQGNBF-BZNIZROVSA-N -1 1 334.351 2.113 20 0 EEADMM Fc1cccc(OC[C@H]2CCC[C@@]3(CCOC3)O2)c1-c1nn[n-]n1 ZINC001606328774 1351293275 /nfs/dbraw/zinc/29/32/75/1351293275.db2.gz HUQAZNPKAQGNBF-BZNIZROVSA-N -1 1 334.351 2.113 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606526317 1351316729 /nfs/dbraw/zinc/31/67/29/1351316729.db2.gz RIPFCTUTMBLUPD-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606526317 1351316735 /nfs/dbraw/zinc/31/67/35/1351316735.db2.gz RIPFCTUTMBLUPD-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606637576 1351335592 /nfs/dbraw/zinc/33/55/92/1351335592.db2.gz BWYXQNGUKFMHSE-INIZCTEOSA-N -1 1 334.383 2.013 20 0 EEADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606637576 1351335596 /nfs/dbraw/zinc/33/55/96/1351335596.db2.gz BWYXQNGUKFMHSE-INIZCTEOSA-N -1 1 334.383 2.013 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606762532 1351352964 /nfs/dbraw/zinc/35/29/64/1351352964.db2.gz WFABTQMARPKLIT-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606762532 1351352967 /nfs/dbraw/zinc/35/29/67/1351352967.db2.gz WFABTQMARPKLIT-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC[C@H]1CCC2(CCC2)O1)c1ccsc1-c1nnn[n-]1 ZINC001606762525 1351353216 /nfs/dbraw/zinc/35/32/16/1351353216.db2.gz VVUXQKWPKCXCOP-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCC[C@H]1CCC2(CCC2)O1)c1ccsc1-c1nn[n-]n1 ZINC001606762525 1351353218 /nfs/dbraw/zinc/35/32/18/1351353218.db2.gz VVUXQKWPKCXCOP-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NOc1cccc(-c2nn[nH]n2)c1)c1ccc2ccccc2c1[O-] ZINC001606863756 1351368116 /nfs/dbraw/zinc/36/81/16/1351368116.db2.gz OUONIYLHCFQBLV-UHFFFAOYSA-N -1 1 347.334 2.449 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001606892898 1351370554 /nfs/dbraw/zinc/37/05/54/1351370554.db2.gz ZNYJFVPKDSJPER-STQMWFEESA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001606892898 1351370560 /nfs/dbraw/zinc/37/05/60/1351370560.db2.gz ZNYJFVPKDSJPER-STQMWFEESA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)o1 ZINC001606904850 1351373253 /nfs/dbraw/zinc/37/32/53/1351373253.db2.gz OQOQVEPHRGUQQQ-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1Cc2cccc(Cl)c2C1 ZINC001606933235 1351379333 /nfs/dbraw/zinc/37/93/33/1351379333.db2.gz IYWFYFGTYYJZFA-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1Cc2cccc(Cl)c2C1 ZINC001606933235 1351379337 /nfs/dbraw/zinc/37/93/37/1351379337.db2.gz IYWFYFGTYYJZFA-UHFFFAOYSA-N -1 1 341.762 2.463 20 0 EEADMM O=C(Nc1cnn(C2CCCC2)c1)c1ccsc1-c1nnn[n-]1 ZINC001606947717 1351382217 /nfs/dbraw/zinc/38/22/17/1351382217.db2.gz SIWPCCXZTQHQAP-UHFFFAOYSA-N -1 1 329.389 2.492 20 0 EEADMM O=C(Nc1cnn(C2CCCC2)c1)c1ccsc1-c1nn[n-]n1 ZINC001606947717 1351382219 /nfs/dbraw/zinc/38/22/19/1351382219.db2.gz SIWPCCXZTQHQAP-UHFFFAOYSA-N -1 1 329.389 2.492 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(Br)C1 ZINC001607031905 1351401852 /nfs/dbraw/zinc/40/18/52/1351401852.db2.gz NEXJFSXVEYAFDS-UHFFFAOYSA-N -1 1 340.206 2.053 20 0 EEADMM O=C1CC[C@@H](c2ccc(OCc3ccc(-c4nn[n-]n4)s3)cc2)N1 ZINC001607044746 1351403921 /nfs/dbraw/zinc/40/39/21/1351403921.db2.gz WMYWJVRGPKRTQU-ZDUSSCGKSA-N -1 1 341.396 2.458 20 0 EEADMM O=C1CC[C@H](c2ccc(OCc3ccc(-c4nn[n-]n4)s3)cc2)N1 ZINC001607044745 1351404004 /nfs/dbraw/zinc/40/40/04/1351404004.db2.gz WMYWJVRGPKRTQU-CYBMUJFWSA-N -1 1 341.396 2.458 20 0 EEADMM c1csc(C[C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC001607116187 1351424789 /nfs/dbraw/zinc/42/47/89/1351424789.db2.gz FMUAPVBMGSAAFV-NSHDSACASA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(C[C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC001607116187 1351424792 /nfs/dbraw/zinc/42/47/92/1351424792.db2.gz FMUAPVBMGSAAFV-NSHDSACASA-N -1 1 327.417 2.177 20 0 EEADMM c1sc(CNc2nccnc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC001607124595 1351429036 /nfs/dbraw/zinc/42/90/36/1351429036.db2.gz TVSMXPIKQLNNLD-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1sc(CNc2nccnc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC001607124595 1351429038 /nfs/dbraw/zinc/42/90/38/1351429038.db2.gz TVSMXPIKQLNNLD-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM COc1cc(C[N@@H+](C)CCCO)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001607155829 1351439888 /nfs/dbraw/zinc/43/98/88/1351439888.db2.gz GALZEOIHHXZPCU-UHFFFAOYSA-N -1 1 349.383 2.380 20 0 EEADMM COc1ccc(-c2cc(CN3CCC([C@H](O)C(=O)[O-])CC3)on2)cc1 ZINC001607194295 1351446560 /nfs/dbraw/zinc/44/65/60/1351446560.db2.gz BJJGBJLUPXZHJH-KRWDZBQOSA-N -1 1 346.383 2.008 20 0 EEADMM COc1ccc(OC)c(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001607278391 1351463589 /nfs/dbraw/zinc/46/35/89/1351463589.db2.gz ADEGYPQQWSOTGD-KRWDZBQOSA-N -1 1 347.367 2.334 20 0 EEADMM COc1cccc([C@H](N)C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607313681 1351471397 /nfs/dbraw/zinc/47/13/97/1351471397.db2.gz QVSQKEVRTCQQSI-HOCLYGCPSA-N -1 1 334.416 2.092 20 0 EEADMM Cc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n[nH]c1C(F)(F)F ZINC001607525858 1351510464 /nfs/dbraw/zinc/51/04/64/1351510464.db2.gz CKOWIDLJUVMNCS-SECBINFHSA-N -1 1 333.310 2.454 20 0 EEADMM Cc1nc([C@H](C)Sc2nc3nc(C)cc(C(=O)[O-])c3c(=O)[nH]2)n[nH]1 ZINC001607587867 1351520124 /nfs/dbraw/zinc/52/01/24/1351520124.db2.gz QZUMLJWCMCHTGG-LURJTMIESA-N -1 1 346.372 2.017 20 0 EEADMM Cc1cc(CC(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)[nH]n1 ZINC001607636334 1351529984 /nfs/dbraw/zinc/52/99/84/1351529984.db2.gz NRPOBKQLRGVMSU-ZDUSSCGKSA-N -1 1 341.289 2.379 20 0 EEADMM Cc1cc(CNC[C@@H](O)COc2c(C)cccc2C)oc1C(=O)[O-] ZINC001607648286 1351532741 /nfs/dbraw/zinc/53/27/41/1351532741.db2.gz BIUKOIKUSBMLKB-CQSZACIVSA-N -1 1 333.384 2.433 20 0 EEADMM Cc1ccc(C(=O)NC2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)s1 ZINC001607731103 1351548380 /nfs/dbraw/zinc/54/83/80/1351548380.db2.gz FJAZTXJNEZJTAK-UHFFFAOYSA-N -1 1 347.440 2.477 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)NC[C@H](CC3CC3)C(=O)[O-])c(=O)c2c1 ZINC001607833564 1351567710 /nfs/dbraw/zinc/56/77/10/1351567710.db2.gz PHUMHEKLEZSUSS-LBPRGKRZSA-N -1 1 328.368 2.067 20 0 EEADMM Cc1ccn2ncc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c2c1 ZINC001607893211 1351580910 /nfs/dbraw/zinc/58/09/10/1351580910.db2.gz NMKANIJZFBHZLG-UHFFFAOYSA-N -1 1 335.323 2.470 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@@H](Cc3ccncc3)C2)c1 ZINC001608327422 1351671481 /nfs/dbraw/zinc/67/14/81/1351671481.db2.gz OXHBEDZRMGZUCQ-HNNXBMFYSA-N -1 1 339.395 2.283 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1cc(F)cc(F)c1O)c1ccc2c(c1)CCO2 ZINC001608385246 1351683206 /nfs/dbraw/zinc/68/32/06/1351683206.db2.gz AEALKYONGSNEJS-AWEZNQCLSA-N -1 1 349.289 2.161 20 0 EEADMM CCC(CC)(NC(=O)CCn1ccc2ccccc21)c1nn[n-]n1 ZINC001623440681 1352397272 /nfs/dbraw/zinc/39/72/72/1352397272.db2.gz DFGXYJIHTQRVKQ-UHFFFAOYSA-N -1 1 326.404 2.376 20 0 EEADMM CCC(CC)(NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1nn[n-]n1 ZINC001623441682 1352397330 /nfs/dbraw/zinc/39/73/30/1352397330.db2.gz RCWMITJUUABMAB-UHFFFAOYSA-N -1 1 343.366 2.174 20 0 EEADMM COC(=O)c1ccc(CNC(=O)c2ncc3ccccc3c2[O-])o1 ZINC001626637186 1352468960 /nfs/dbraw/zinc/46/89/60/1352468960.db2.gz UXIANYTWJBLXJZ-UHFFFAOYSA-N -1 1 326.308 2.250 20 0 EEADMM CCC(CC)(NC(=O)Cc1cc(-c2ccccc2)on1)c1nn[n-]n1 ZINC001626904267 1352476737 /nfs/dbraw/zinc/47/67/37/1352476737.db2.gz HHIJGSXBWIJAIT-UHFFFAOYSA-N -1 1 340.387 2.229 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(-c2cnco2)cc1)c1nn[n-]n1 ZINC001626904177 1352476786 /nfs/dbraw/zinc/47/67/86/1352476786.db2.gz CQWGBQIRPJFZHR-UHFFFAOYSA-N -1 1 326.360 2.300 20 0 EEADMM CC(C)c1ncsc1NC(=O)c1ccc(-n2[n-]c(=O)[nH]c2=O)cc1 ZINC001635662335 1352650646 /nfs/dbraw/zinc/65/06/46/1352650646.db2.gz JXHFNOBSAUTRDL-UHFFFAOYSA-N -1 1 345.384 2.098 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3ccn(C)c(=O)c3c2)c(=O)[n-]1 ZINC001640280923 1352709327 /nfs/dbraw/zinc/70/93/27/1352709327.db2.gz GHLXRZFUQRZNQZ-UHFFFAOYSA-N -1 1 342.380 2.008 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(F)(F)[C@@H](CO)C1 ZINC001646219087 1352822205 /nfs/dbraw/zinc/82/22/05/1352822205.db2.gz TXAQCXZNYUJOOQ-LLVKDONJSA-N -1 1 337.322 2.341 20 0 EEADMM C[C@H](C1CC1)N(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCCCO1 ZINC001646894965 1353031893 /nfs/dbraw/zinc/03/18/93/1353031893.db2.gz HGZOXGWDNUKNRD-DGCLKSJQSA-N -1 1 346.435 2.178 20 0 EEADMM CO[C@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)CC1 ZINC001646928121 1353052115 /nfs/dbraw/zinc/05/21/15/1353052115.db2.gz KONVNJHBAUDDAT-QGZVFWFLSA-N -1 1 346.435 2.179 20 0 EEADMM O=C(COC(=O)[C@H](O)c1ccc(Cl)cc1)c1ccc([O-])cc1O ZINC001647198026 1353184644 /nfs/dbraw/zinc/18/46/44/1353184644.db2.gz MNCQNAXYBZPEHP-OAHLLOKOSA-N -1 1 336.727 2.211 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001650305918 1353838080 /nfs/dbraw/zinc/83/80/80/1353838080.db2.gz WBEDSISIIHXSIL-ZDUSSCGKSA-N -1 1 344.467 2.199 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](C)C2(CCCCC2)C1 ZINC001650305918 1353838083 /nfs/dbraw/zinc/83/80/83/1353838083.db2.gz WBEDSISIIHXSIL-ZDUSSCGKSA-N -1 1 344.467 2.199 20 0 EEADMM CC[C@@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCCCO1 ZINC001650492840 1353951913 /nfs/dbraw/zinc/95/19/13/1353951913.db2.gz BBBYNDBAHQXURQ-CHWSQXEVSA-N -1 1 346.435 2.322 20 0 EEADMM O=S(=O)([N-][C@H](CO)Cc1ccccc1)c1cc2cc(F)ccc2o1 ZINC001654976971 1354162467 /nfs/dbraw/zinc/16/24/67/1354162467.db2.gz KBQOABLRDBZQED-HNNXBMFYSA-N -1 1 349.383 2.454 20 0 EEADMM O=C(Nc1snc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC001671384512 1356333828 /nfs/dbraw/zinc/33/38/28/1356333828.db2.gz HCMHWUZTPONRBN-UHFFFAOYSA-N -1 1 329.389 2.221 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1 ZINC001388313645 1387358224 /nfs/dbraw/zinc/35/82/24/1387358224.db2.gz TVMQZMCFWJFKAV-CQSZACIVSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001388848495 1387749494 /nfs/dbraw/zinc/74/94/94/1387749494.db2.gz JFBONMGNVLPQSQ-KGLIPLIRSA-N -1 1 347.459 2.390 20 0 EEADMM CCC(C)(CC)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001388942353 1387823569 /nfs/dbraw/zinc/82/35/69/1387823569.db2.gz GRVHQGMFOHAYHD-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]c2cccc(Br)c2F)cn1 ZINC000690195614 1367346397 /nfs/dbraw/zinc/34/63/97/1367346397.db2.gz TUHZIKYHBJRSAI-UHFFFAOYSA-N -1 1 334.170 2.123 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389023485 1387895760 /nfs/dbraw/zinc/89/57/60/1387895760.db2.gz DZHKPFDAKVSWJK-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1-c1cccnc1 ZINC001188049833 1368276154 /nfs/dbraw/zinc/27/61/54/1368276154.db2.gz KRGBQAHEFITILI-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM CC(C)c1nc(C[N-]S(=O)(=O)Cc2cccc(F)c2F)no1 ZINC001189469376 1368358413 /nfs/dbraw/zinc/35/84/13/1368358413.db2.gz LDCJXUKAFUPOJS-UHFFFAOYSA-N -1 1 331.344 2.091 20 0 EEADMM CCOC(=O)[C@H](CCSC)NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001193242916 1368450546 /nfs/dbraw/zinc/45/05/46/1368450546.db2.gz YDCXIWQBMKIAPC-NSHDSACASA-N -1 1 348.371 2.477 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C1(c2ccncc2)CC1 ZINC001201766105 1368840497 /nfs/dbraw/zinc/84/04/97/1368840497.db2.gz AESYMBBDPRQQMH-UHFFFAOYSA-N -1 1 329.834 2.468 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C1(c2ccccn2)CC1 ZINC001201767406 1368841029 /nfs/dbraw/zinc/84/10/29/1368841029.db2.gz XPRJJHLFQQDRNK-UHFFFAOYSA-N -1 1 329.834 2.468 20 0 EEADMM CCOc1cc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nc(C)n1 ZINC000853636672 1369361824 /nfs/dbraw/zinc/36/18/24/1369361824.db2.gz HFVQARAOQCFSJN-LLVKDONJSA-N -1 1 346.353 2.079 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c(Cl)n1 ZINC000800837682 1370044187 /nfs/dbraw/zinc/04/41/87/1370044187.db2.gz SZKJZSDPOAKXQA-UHFFFAOYSA-N -1 1 343.767 2.082 20 0 EEADMM CC(C)CCCC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952064 1370585502 /nfs/dbraw/zinc/58/55/02/1370585502.db2.gz HHXLSGDUODWELC-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C(F)F)c1 ZINC001389455685 1388132707 /nfs/dbraw/zinc/13/27/07/1388132707.db2.gz PJVUEOABYKOPNA-JTQLQIEISA-N -1 1 349.337 2.273 20 0 EEADMM O=C(COC(=O)c1cccc(-n2cccn2)c1)c1ccc([O-])cc1O ZINC001116078931 1371719252 /nfs/dbraw/zinc/71/92/52/1371719252.db2.gz AFGOVFZBTSSLAF-UHFFFAOYSA-N -1 1 338.319 2.323 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC001123576131 1372156849 /nfs/dbraw/zinc/15/68/49/1372156849.db2.gz MJPUXYJKDFNFDD-UHFFFAOYSA-N -1 1 333.369 2.193 20 0 EEADMM CONC(=O)C1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000831989588 1372403946 /nfs/dbraw/zinc/40/39/46/1372403946.db2.gz PKJYQJXCWHEESW-UHFFFAOYSA-N -1 1 328.368 2.075 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCN1CC(C)(C)O ZINC000832677186 1372459296 /nfs/dbraw/zinc/45/92/96/1372459296.db2.gz FSZHWQWVIZOUHA-NSHDSACASA-N -1 1 349.456 2.034 20 0 EEADMM O=C([O-])c1ccccc1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001140499049 1372588683 /nfs/dbraw/zinc/58/86/83/1372588683.db2.gz XZZHYKIOLGCDSE-SFHVURJKSA-N -1 1 340.423 2.064 20 0 EEADMM CCCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000835833899 1372659636 /nfs/dbraw/zinc/65/96/36/1372659636.db2.gz QWEHZWLTNQUCEF-OAHLLOKOSA-N -1 1 326.462 2.030 20 0 EEADMM O=C([N-]OC1CCOCC1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001347175069 1372973982 /nfs/dbraw/zinc/97/39/82/1372973982.db2.gz SIOWTTOZDRLGMU-KRWDZBQOSA-N -1 1 336.407 2.407 20 0 EEADMM COC(=O)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])Oc1ccccc1 ZINC001363539412 1373530473 /nfs/dbraw/zinc/53/04/73/1373530473.db2.gz YNYKKHLXSWMKOM-OAHLLOKOSA-N -1 1 349.770 2.396 20 0 EEADMM CC1(C)C[C@@](C)(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C(=O)O1 ZINC001365066925 1373662518 /nfs/dbraw/zinc/66/25/18/1373662518.db2.gz ABLKMSGZQBFWMC-QGZVFWFLSA-N -1 1 344.371 2.184 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(C)CCC1 ZINC001370059127 1374775202 /nfs/dbraw/zinc/77/52/02/1374775202.db2.gz RCWDCFUALHRBBZ-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)C1=CCCC1)NC(=O)c1ncccc1[O-] ZINC001371102959 1375228065 /nfs/dbraw/zinc/22/80/65/1375228065.db2.gz ZGQPVPAVSDYTPA-CQSZACIVSA-N -1 1 331.416 2.158 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372247658 1375882758 /nfs/dbraw/zinc/88/27/58/1375882758.db2.gz MIAZILIJGFVDNZ-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001374118606 1376586438 /nfs/dbraw/zinc/58/64/38/1376586438.db2.gz QDJSYZPIPPTZHC-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CCC1(C(=O)NC2CN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001374657693 1376979898 /nfs/dbraw/zinc/97/98/98/1376979898.db2.gz OSZYKLHJFXHFEG-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001377979366 1379612452 /nfs/dbraw/zinc/61/24/52/1379612452.db2.gz WCVHHXAQAPFZSA-NSHDSACASA-N -1 1 347.802 2.297 20 0 EEADMM CCC(CC)C(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001379841053 1380912480 /nfs/dbraw/zinc/91/24/80/1380912480.db2.gz JGXIASLVARMYEU-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM CC1(C(=O)N2CC[C@@](C)(CNC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001379890400 1380932692 /nfs/dbraw/zinc/93/26/92/1380932692.db2.gz ZHRACDDRVWYGPM-SFHVURJKSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001382852499 1382242692 /nfs/dbraw/zinc/24/26/92/1382242692.db2.gz WZIABJZYYRLFMP-CYBMUJFWSA-N -1 1 335.448 2.294 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001384150362 1382823351 /nfs/dbraw/zinc/82/33/51/1382823351.db2.gz UDFSRXNHMGYRMO-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CCC1(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001384391317 1382922254 /nfs/dbraw/zinc/92/22/54/1382922254.db2.gz YMTXRQDQTGILRW-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001385333616 1385477508 /nfs/dbraw/zinc/47/75/08/1385477508.db2.gz UYYXEFTXLDBWKP-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)(C(=O)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCC1 ZINC001391294098 1389215298 /nfs/dbraw/zinc/21/52/98/1389215298.db2.gz CPJVXJDCMCWQCD-CYBMUJFWSA-N -1 1 349.479 2.055 20 0 EEADMM Cc1ccc(C)c(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)c1 ZINC001393833111 1390556382 /nfs/dbraw/zinc/55/63/82/1390556382.db2.gz NWUKNIHAJUHHHZ-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM O=C(NC[C@@H](NC(=O)c1ncccc1[O-])C1CCCC1)C1=CCCC1 ZINC001394180573 1390639070 /nfs/dbraw/zinc/63/90/70/1390639070.db2.gz KUQFKXHWAMIASV-OAHLLOKOSA-N -1 1 343.427 2.302 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccc(C)o1 ZINC001398935723 1394333879 /nfs/dbraw/zinc/33/38/79/1394333879.db2.gz DSZMEFTXWBEGQQ-CHWSQXEVSA-N -1 1 345.399 2.117 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ncccc1[O-] ZINC001399465063 1395124558 /nfs/dbraw/zinc/12/45/58/1395124558.db2.gz GDBYMZJLFVBIDN-QLFBSQMISA-N -1 1 345.443 2.094 20 0 EEADMM CN(CCC1CCN(C(=O)C2(C)CC2)CC1)C(=O)c1ncccc1[O-] ZINC001399515190 1395186327 /nfs/dbraw/zinc/18/63/27/1395186327.db2.gz IWMFBHCHPRYKQV-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(CC1CCCC1)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001401286513 1397121452 /nfs/dbraw/zinc/12/14/52/1397121452.db2.gz YTTQOLDWJHBPKO-HNNXBMFYSA-N -1 1 349.479 2.245 20 0 EEADMM CC(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425709750 1401751936 /nfs/dbraw/zinc/75/19/36/1401751936.db2.gz IMDIEHALGGRXLV-KBPBESRZSA-N -1 1 347.459 2.484 20 0 EEADMM CC[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)C ZINC001427796167 1402530286 /nfs/dbraw/zinc/53/02/86/1402530286.db2.gz YHWSNIWESLGYCW-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N(C)C2CC(NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001428494824 1402731369 /nfs/dbraw/zinc/73/13/69/1402731369.db2.gz ZKUWETOFUROVBC-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM COCC(=O)Nc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC001433603205 1403412270 /nfs/dbraw/zinc/41/22/70/1403412270.db2.gz QDBFOJBHGKQBOB-UHFFFAOYSA-N -1 1 332.331 2.046 20 0 EEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001577325775 1403640370 /nfs/dbraw/zinc/64/03/70/1403640370.db2.gz IZIGRVYIGUDJBR-JTQLQIEISA-N -1 1 343.478 2.421 20 0 EEADMM CCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001577325775 1403640372 /nfs/dbraw/zinc/64/03/72/1403640372.db2.gz IZIGRVYIGUDJBR-JTQLQIEISA-N -1 1 343.478 2.421 20 0 EEADMM CCCCC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001577399437 1403645750 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Cc1ccc(C(=O)N(C)C)cc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001592118517 1403997727 /nfs/dbraw/zinc/99/77/27/1403997727.db2.gz YUYIHGZCPLWPGF-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM Cc1ccc(C(=O)N(C)C)cc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001592118517 1403997738 /nfs/dbraw/zinc/99/77/38/1403997738.db2.gz YUYIHGZCPLWPGF-UHFFFAOYSA-N -1 1 327.344 2.049 20 0 EEADMM Cc1nsc(NCCCN(C)C(=O)CCC2CC2)c1-c1nn[n-]n1 ZINC001592489860 1404700965 /nfs/dbraw/zinc/70/09/65/1404700965.db2.gz JUIQENNPRRBOKD-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM Cc1nsc(NCCNC(=O)C2=CCCCCC2)c1-c1nn[n-]n1 ZINC001592492304 1404701357 /nfs/dbraw/zinc/70/13/57/1404701357.db2.gz XLSCBZDBGUWWIV-UHFFFAOYSA-N -1 1 347.448 2.050 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC001592499112 1404702798 /nfs/dbraw/zinc/70/27/98/1404702798.db2.gz IYSQBFWKYHKOPZ-STQMWFEESA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC001592499112 1404702802 /nfs/dbraw/zinc/70/28/02/1404702802.db2.gz IYSQBFWKYHKOPZ-STQMWFEESA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC001592498833 1404703440 /nfs/dbraw/zinc/70/34/40/1404703440.db2.gz BTUXPIKGLQQVNO-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2ccc(F)c(F)c2C1 ZINC001592498833 1404703443 /nfs/dbraw/zinc/70/34/43/1404703443.db2.gz BTUXPIKGLQQVNO-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCC1(c2ccccc2)CCC1 ZINC001592914992 1404729382 /nfs/dbraw/zinc/72/93/82/1404729382.db2.gz JQQPJTKZDUOEAK-UHFFFAOYSA-N -1 1 348.410 2.042 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCC1(c2ccccc2)CCC1 ZINC001592914992 1404729389 /nfs/dbraw/zinc/72/93/89/1404729389.db2.gz JQQPJTKZDUOEAK-UHFFFAOYSA-N -1 1 348.410 2.042 20 0 EEADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1csc(-c2nn[n-]n2)c1 ZINC001593024641 1404735088 /nfs/dbraw/zinc/73/50/88/1404735088.db2.gz YJLAQTFZMKLQPU-UMVBOHGHSA-N -1 1 337.408 2.244 20 0 EEADMM CCc1[nH]c(C(=O)NC[C@@H](N)c2ccccc2OC)c(C)c1C(=O)[O-] ZINC001605768341 1404753273 /nfs/dbraw/zinc/75/32/73/1404753273.db2.gz TUIWVVLXEDUPHH-GFCCVEGCSA-N -1 1 345.399 2.022 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001606065700 1404761445 /nfs/dbraw/zinc/76/14/45/1404761445.db2.gz ZXNIQEJOLNKPEB-CJNGLKHVSA-N -1 1 337.387 2.155 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001606065700 1404761449 /nfs/dbraw/zinc/76/14/49/1404761449.db2.gz ZXNIQEJOLNKPEB-CJNGLKHVSA-N -1 1 337.387 2.155 20 0 EEADMM Cc1ccoc1C(=O)N[C@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001756277252 1408280114 /nfs/dbraw/zinc/28/01/14/1408280114.db2.gz RUSAKSMODHLTHV-GFCCVEGCSA-N -1 1 331.372 2.017 20 0 EEADMM C[C@@H](C(=O)NCC1=CCN(C(=O)c2ncccc2[O-])CC1)C1CCC1 ZINC001756772845 1409309696 /nfs/dbraw/zinc/30/96/96/1409309696.db2.gz RINQTVLBNVAPAZ-CYBMUJFWSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)CC1CCN(c2nnc(Cc3nnn[n-]3)n2CC(C)C)CC1 ZINC001772331840 1410135759 /nfs/dbraw/zinc/13/57/59/1410135759.db2.gz VLUCYLTUZWBYBO-UHFFFAOYSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)CC1CCN(c2nnc(Cc3nn[n-]n3)n2CC(C)C)CC1 ZINC001772331840 1410135761 /nfs/dbraw/zinc/13/57/61/1410135761.db2.gz VLUCYLTUZWBYBO-UHFFFAOYSA-N -1 1 346.483 2.301 20 0 EEADMM C[C@@]1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)CC=CCC1 ZINC001063160255 790280550 /nfs/dbraw/zinc/28/05/50/790280550.db2.gz BEYWXXYXBIPOPW-GOSISDBHSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1cccc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942496083 782527968 /nfs/dbraw/zinc/52/79/68/782527968.db2.gz BAFJBBKSNRTMIG-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM CCc1nsc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125858207 764991084 /nfs/dbraw/zinc/99/10/84/764991084.db2.gz WUQVOOIQVOMNCF-NSHDSACASA-N -1 1 349.460 2.458 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2sc(N)nc2[O-])C1 ZINC000081061797 782578312 /nfs/dbraw/zinc/57/83/12/782578312.db2.gz KWSJVNDMNQSBGN-OASPWFOLSA-N -1 1 335.404 2.082 20 0 EEADMM O=C(COC(=O)CCOCc1ccccc1)[N-]C(=O)c1ccccc1 ZINC000919619090 770098668 /nfs/dbraw/zinc/09/86/68/770098668.db2.gz GMUQHHXWUMQJES-UHFFFAOYSA-N -1 1 341.363 2.093 20 0 EEADMM CC(C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000979665785 770809797 /nfs/dbraw/zinc/80/97/97/770809797.db2.gz RWVHTKGQMUGMPD-CTYIDZIISA-N -1 1 343.427 2.302 20 0 EEADMM O=C(NC[C@@H]1CCCN1C/C(Cl)=C/Cl)c1ncccc1[O-] ZINC001027844203 773431949 /nfs/dbraw/zinc/43/19/49/773431949.db2.gz OEIZOTXQGNTFNM-BRNRAETOSA-N -1 1 330.215 2.300 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC000942751717 783112651 /nfs/dbraw/zinc/11/26/51/783112651.db2.gz HAZGGOSJMVFBQR-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC000980044040 773776122 /nfs/dbraw/zinc/77/61/22/773776122.db2.gz ZZSMKQZZSXSPKZ-AULYBMBSSA-N -1 1 345.424 2.096 20 0 EEADMM O=C(NCC1CC1)N[N-]C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000065192737 773847272 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EEADMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2ncnc3ccccc32)C1 ZINC001058878950 777133079 /nfs/dbraw/zinc/13/30/79/777133079.db2.gz DXJMHSXTBCHBQQ-LBPRGKRZSA-N -1 1 335.367 2.057 20 0 EEADMM O=C(CC1=CCCCC1)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000939734361 777289099 /nfs/dbraw/zinc/28/90/99/777289099.db2.gz JJKSISQBMWVLAM-CQSZACIVSA-N -1 1 329.400 2.008 20 0 EEADMM [NH2+]=CNc1c2c(OP(=O)([O-])[O-])c[nH]c2ccc1Br ZINC001167865796 778709395 /nfs/dbraw/zinc/70/93/95/778709395.db2.gz SFJNTHVHCMWYEK-UHFFFAOYSA-N -1 1 334.066 2.421 20 0 EEADMM CCC(=O)N1CC2(C[C@H]1C)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982204470 779268278 /nfs/dbraw/zinc/26/82/78/779268278.db2.gz NLDUANCVJOOWNT-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM COC(=O)c1cc(Cl)cc(Nc2c(N)[nH]c(=S)[n-]c2=O)c1 ZINC001213333254 779741916 /nfs/dbraw/zinc/74/19/16/779741916.db2.gz XGTHTWRQXSMHII-UHFFFAOYSA-N -1 1 326.765 2.237 20 0 EEADMM Cn1cc([C@@H]2CN(CC(=O)[N-]OCc3ccccc3)CC2(C)C)cn1 ZINC000846932321 790734579 /nfs/dbraw/zinc/73/45/79/790734579.db2.gz 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792845661 /nfs/dbraw/zinc/84/56/61/792845661.db2.gz STLCPBBGIHILCE-JGVFFNPUSA-N -1 1 330.178 2.110 20 0 EEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742237 794200661 /nfs/dbraw/zinc/20/06/61/794200661.db2.gz PKUURULSZVNAMJ-JTQLQIEISA-N -1 1 335.795 2.027 20 0 EEADMM O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913743892 794206460 /nfs/dbraw/zinc/20/64/60/794206460.db2.gz QELJCSOSGNQULS-APWZRJJASA-N -1 1 337.427 2.200 20 0 EEADMM CC[C@H](CC(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(OC)cc1 ZINC000913743903 794207403 /nfs/dbraw/zinc/20/74/03/794207403.db2.gz QHYCPAWAHQGZBN-CYBMUJFWSA-N -1 1 343.431 2.498 20 0 EEADMM CCc1c(C(=O)N2CCC(c3nn[n-]n3)CC2)cnn1CCC(C)C ZINC000913744870 794210890 /nfs/dbraw/zinc/21/08/90/794210890.db2.gz IDJCWQLFANGEIN-UHFFFAOYSA-N -1 1 345.451 2.025 20 0 EEADMM C[C@@H](CCNc1ncnc2ccsc21)NC(=O)c1ncccc1[O-] ZINC001106296261 795360877 /nfs/dbraw/zinc/36/08/77/795360877.db2.gz MEWLHVOUWANBBA-JTQLQIEISA-N -1 1 343.412 2.412 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)c1ccc(Cl)o1 ZINC000946532820 795524648 /nfs/dbraw/zinc/52/46/48/795524648.db2.gz DHOCRJDBKRKNBF-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535650 795584762 /nfs/dbraw/zinc/58/47/62/795584762.db2.gz GHQVAVYFAJKNIQ-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1ccns1 ZINC000993248296 796168546 /nfs/dbraw/zinc/16/85/46/796168546.db2.gz MDPPJRZTVXDEQJ-DGCLKSJQSA-N -1 1 332.429 2.027 20 0 EEADMM CC/C=C(/C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022913 797082256 /nfs/dbraw/zinc/08/22/56/797082256.db2.gz SCJWHCIQSFFHPF-LVOZBFFPSA-N -1 1 331.416 2.254 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2C)cc1N ZINC001212730800 797470308 /nfs/dbraw/zinc/47/03/08/797470308.db2.gz YJVHZDKHYIMSBG-UHFFFAOYSA-N -1 1 347.440 2.388 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001002144123 797621369 /nfs/dbraw/zinc/62/13/69/797621369.db2.gz 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797821738 /nfs/dbraw/zinc/82/17/38/797821738.db2.gz ZTMPKRIZFSYOSM-OAHLLOKOSA-N -1 1 337.401 2.435 20 0 EEADMM Cc1cc(F)c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(F)c1 ZINC001168694490 798002127 /nfs/dbraw/zinc/00/21/27/798002127.db2.gz NAKKCEYOZWNHJU-CQSZACIVSA-N -1 1 329.310 2.306 20 0 EEADMM CN1CCN(c2ccc(Nc3cccc(C(=O)[O-])c3)cc2CO)CC1 ZINC001175329555 798078637 /nfs/dbraw/zinc/07/86/37/798078637.db2.gz OMLIRRKNFNLXFE-UHFFFAOYSA-N -1 1 341.411 2.373 20 0 EEADMM COC(=O)c1nc(Br)cnc1[N-]c1cnc(OC)s1 ZINC001175386814 798092563 /nfs/dbraw/zinc/09/25/63/798092563.db2.gz FHDUSUMVBAPUPJ-UHFFFAOYSA-N -1 1 345.178 2.234 20 0 EEADMM Nc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)nc2)cc1 ZINC001175730245 798208182 /nfs/dbraw/zinc/20/81/82/798208182.db2.gz QLUITHPXEPYQQW-UHFFFAOYSA-N -1 1 349.412 2.022 20 0 EEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1 ZINC000917714551 798324811 /nfs/dbraw/zinc/32/48/11/798324811.db2.gz OFXUTHRLAZYWNY-UHFFFAOYSA-N -1 1 346.364 2.116 20 0 EEADMM CCc1ccc(CN2CCN(CCCCS(=O)(=O)[O-])CC2)cc1 ZINC001204178822 798593013 /nfs/dbraw/zinc/59/30/13/798593013.db2.gz FNZHJXLAITVWHK-UHFFFAOYSA-N -1 1 340.489 2.035 20 0 EEADMM Cc1csc(CN[C@@H]2CCCC[C@H]2NC(=O)c2[nH]nc(C)c2[O-])n1 ZINC001085172461 798754359 /nfs/dbraw/zinc/75/43/59/798754359.db2.gz AGJXVLXKZAGOPJ-VXGBXAGGSA-N -1 1 349.460 2.019 20 0 EEADMM CCc1cnc(CN[C@@H]2CCCC[C@H]2NC(=O)c2ncccc2[O-])o1 ZINC001085177883 798759481 /nfs/dbraw/zinc/75/94/81/798759481.db2.gz BCYJNANFNANYQJ-ZIAGYGMSSA-N -1 1 344.415 2.168 20 0 EEADMM O=C(Cc1ccc(-c2ccccn2)cc1)NCCCC[P@@](=O)([O-])O ZINC001177951917 799202019 /nfs/dbraw/zinc/20/20/19/799202019.db2.gz OHJZZBWESTULDF-UHFFFAOYSA-N -1 1 348.339 2.365 20 0 EEADMM CN(C)c1nc(NC(=O)[C@@H](c2ccccn2)C2CC2)c(N=O)c(=O)[n-]1 ZINC001178233158 799363653 /nfs/dbraw/zinc/36/36/53/799363653.db2.gz XNNKRUOZBUUYCG-LLVKDONJSA-N -1 1 342.359 2.173 20 0 EEADMM CCC[C@H](C)CCCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001178785279 799620119 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Cc1[n-][nH]c2ncnc(=NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c1-2 ZINC001181774907 800898710 /nfs/dbraw/zinc/89/87/10/800898710.db2.gz MTPNEWMOXSZHIN-SECBINFHSA-N -1 1 331.763 2.094 20 0 EEADMM C[C@H](C(=O)NC1CCC(N(C)C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001004077280 800921889 /nfs/dbraw/zinc/92/18/89/800921889.db2.gz SKFBCQMVTJYQQN-GRTSSRMGSA-N -1 1 345.443 2.333 20 0 EEADMM COc1ccc2c(c1)OCC(C(=O)Nc1cc(=O)[n-]c(SC)n1)=C2 ZINC001182640059 801292050 /nfs/dbraw/zinc/29/20/50/801292050.db2.gz LOVZBEGBEFQISQ-UHFFFAOYSA-N -1 1 345.380 2.327 20 0 EEADMM C[C@](O)(C(=O)Nc1nc(Br)ccc1[O-])c1ccccc1 ZINC001182923255 801385263 /nfs/dbraw/zinc/38/52/63/801385263.db2.gz LWARPFMRDOOKQV-CQSZACIVSA-N -1 1 337.173 2.396 20 0 EEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)[nH]n1 ZINC000786898929 806933724 /nfs/dbraw/zinc/93/37/24/806933724.db2.gz WVYQUTMKFAVAQZ-UHFFFAOYSA-N -1 1 349.412 2.470 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)c1cccs1 ZINC001004440209 802048526 /nfs/dbraw/zinc/04/85/26/802048526.db2.gz GXTNADCEQQKKNN-NEPJUHHUSA-N -1 1 345.424 2.129 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccn3nccc23)cc1C(=O)[O-] ZINC001184669603 802104597 /nfs/dbraw/zinc/10/45/97/802104597.db2.gz FOSMYWJWZYXMCL-UHFFFAOYSA-N -1 1 331.353 2.142 20 0 EEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185184545 802380222 /nfs/dbraw/zinc/38/02/22/802380222.db2.gz CRTUJQKZICVPKC-UHFFFAOYSA-N -1 1 343.364 2.241 20 0 EEADMM Cc1ccc(NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)nn1 ZINC001066430324 802380765 /nfs/dbraw/zinc/38/07/65/802380765.db2.gz GEMDUQPIVIUWAS-HDJSIYSDSA-N -1 1 341.415 2.286 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNc2cnc(F)cn2)CC1)c1ncccc1[O-] ZINC001066430582 802381883 /nfs/dbraw/zinc/38/18/83/802381883.db2.gz UXGRRGPLXNZVSS-HAQNSBGRSA-N -1 1 345.378 2.117 20 0 EEADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004762998 802820138 /nfs/dbraw/zinc/82/01/38/802820138.db2.gz XYKGFUCRZHOEEK-OLZOCXBDSA-N -1 1 349.406 2.036 20 0 EEADMM CC(C)c1nsc(N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001061585841 803133701 /nfs/dbraw/zinc/13/37/01/803133701.db2.gz DSQSNBFRHQCLMA-NSHDSACASA-N -1 1 347.444 2.018 20 0 EEADMM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc21)c1ccc(C(F)F)o1 ZINC000867003515 803935164 /nfs/dbraw/zinc/93/51/64/803935164.db2.gz DKVGEKPPVIZPDE-HNNXBMFYSA-N -1 1 343.351 2.330 20 0 EEADMM O=c1ccc(NCc2ncccc2[O-])nn1Cc1ccc(F)cc1 ZINC001169732561 804018506 /nfs/dbraw/zinc/01/85/06/804018506.db2.gz LOYWOFMUVCNEFG-UHFFFAOYSA-N -1 1 326.331 2.143 20 0 EEADMM Cc1ccc2oc(N(C)C[C@H](C)NC(=O)c3ncccc3[O-])nc2c1 ZINC001108946889 804721614 /nfs/dbraw/zinc/72/16/14/804721614.db2.gz WZWNOCGLLHCCHN-LBPRGKRZSA-N -1 1 340.383 2.492 20 0 EEADMM CC(=O)N[C@H](CC1CCC1)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000787180434 807033973 /nfs/dbraw/zinc/03/39/73/807033973.db2.gz PGSBLKQQPIMDBF-QGZVFWFLSA-N -1 1 347.411 2.375 20 0 EEADMM Cc1cc(C)cc(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000787902272 807310360 /nfs/dbraw/zinc/31/03/60/807310360.db2.gz 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O=C(OCc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244867 578005723 /nfs/dbraw/zinc/00/57/23/578005723.db2.gz LNVNRKXJKCHMGQ-UHFFFAOYSA-N -1 1 338.352 2.228 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738259708 578006534 /nfs/dbraw/zinc/00/65/34/578006534.db2.gz UWJLSDAYYFKXCY-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000738259708 578006535 /nfs/dbraw/zinc/00/65/35/578006535.db2.gz UWJLSDAYYFKXCY-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738259848 578006538 /nfs/dbraw/zinc/00/65/38/578006538.db2.gz WYECTEWKSCYCSB-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000738259848 578006539 /nfs/dbraw/zinc/00/65/39/578006539.db2.gz WYECTEWKSCYCSB-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM Cc1cc(NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1C(=O)[O-] ZINC000738441104 578015289 /nfs/dbraw/zinc/01/52/89/578015289.db2.gz MOKHJZGKUONHFX-OAHLLOKOSA-N -1 1 349.431 2.172 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000737662573 576291878 /nfs/dbraw/zinc/29/18/78/576291878.db2.gz VYDOCQGFBKXUST-XCBNKYQSSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000737662573 576291882 /nfs/dbraw/zinc/29/18/82/576291882.db2.gz VYDOCQGFBKXUST-XCBNKYQSSA-N -1 1 331.742 2.417 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCCC3(CCOCC3)C2)cc1 ZINC000738467487 576463547 /nfs/dbraw/zinc/46/35/47/576463547.db2.gz RPDWMQILQJTRDN-UHFFFAOYSA-N -1 1 332.400 2.216 20 0 EEADMM Fc1ccccc1CC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737669218 576470599 /nfs/dbraw/zinc/47/05/99/576470599.db2.gz LZLQVVNWWBMSLY-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccccc1CC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737669218 576470600 /nfs/dbraw/zinc/47/06/00/576470600.db2.gz LZLQVVNWWBMSLY-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(CCO)CC1 ZINC000738517535 576530216 /nfs/dbraw/zinc/53/02/16/576530216.db2.gz GEQJBWSVYLEFMA-CYBMUJFWSA-N -1 1 334.416 2.115 20 0 EEADMM O=C(COC(=O)c1cnc(C2CC2)s1)[N-]C(=O)c1ccccc1 ZINC000729772436 576680890 /nfs/dbraw/zinc/68/08/90/576680890.db2.gz RFUNWPIDIRYDQH-UHFFFAOYSA-N -1 1 330.365 2.134 20 0 EEADMM Cc1ccc(Oc2ccccc2NC(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000729918477 576690286 /nfs/dbraw/zinc/69/02/86/576690286.db2.gz QUOFPGRXCJWBHJ-UHFFFAOYSA-N -1 1 340.339 2.376 20 0 EEADMM CC(C)c1ccc2cc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)[nH]c2c1 ZINC000732090946 577147569 /nfs/dbraw/zinc/14/75/69/577147569.db2.gz QXCATDVESCZHHQ-HNNXBMFYSA-N -1 1 340.387 2.018 20 0 EEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccccc1OCC(F)(F)F ZINC000732219792 577159753 /nfs/dbraw/zinc/15/97/53/577159753.db2.gz IQQUXRCQHLQURT-UHFFFAOYSA-N -1 1 336.291 2.427 20 0 EEADMM C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCOC1 ZINC000771810506 577231620 /nfs/dbraw/zinc/23/16/20/577231620.db2.gz HICFJHUXRIZUAB-LLVKDONJSA-N -1 1 325.217 2.236 20 0 EEADMM Cc1cccnc1COC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000771940287 577240191 /nfs/dbraw/zinc/24/01/91/577240191.db2.gz YSBACSGSOMYPLZ-UHFFFAOYSA-N -1 1 340.383 2.431 20 0 EEADMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)OC ZINC000773376440 577337732 /nfs/dbraw/zinc/33/77/32/577337732.db2.gz QWMRJNSMCAVLHL-SSDOTTSWSA-N -1 1 341.216 2.008 20 0 EEADMM CN1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)c2ccc(F)cc21 ZINC000774014706 577378275 /nfs/dbraw/zinc/37/82/75/577378275.db2.gz SNEOLNBCVOLFHZ-UHFFFAOYSA-N -1 1 343.387 2.254 20 0 EEADMM COc1c(C)cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1C ZINC000774277428 577393029 /nfs/dbraw/zinc/39/30/29/577393029.db2.gz QKQZIPMOTVBQCU-OAHLLOKOSA-N -1 1 337.383 2.345 20 0 EEADMM O=C(C=Cc1ccc(Cl)cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776562124 577462392 /nfs/dbraw/zinc/46/23/92/577462392.db2.gz BLRYNSIZFGSANY-MJRJWQSSSA-N -1 1 335.820 2.183 20 0 EEADMM Cn1[n-]c(COC(=O)CSc2ccc(C(C)(C)C)cc2)nc1=O ZINC000765410641 577500489 /nfs/dbraw/zinc/50/04/89/577500489.db2.gz RYPQYWQNGYKBTO-UHFFFAOYSA-N -1 1 335.429 2.241 20 0 EEADMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cn1 ZINC000767083145 577530382 /nfs/dbraw/zinc/53/03/82/577530382.db2.gz GZFNHVGAJVGYNL-UHFFFAOYSA-N -1 1 348.211 2.271 20 0 EEADMM COc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cnc1Cl ZINC000767474240 577537753 /nfs/dbraw/zinc/53/77/53/577537753.db2.gz WVMGFEZJKKEMFN-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCCOC2CCCCC2)o1 ZINC000761080288 577675988 /nfs/dbraw/zinc/67/59/88/577675988.db2.gz OLYHEXGGBUMYLF-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM Cc1ccccc1[C@@H](O)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000762436447 577701103 /nfs/dbraw/zinc/70/11/03/577701103.db2.gz JHOIXKUEWDNDLE-AWEZNQCLSA-N -1 1 329.400 2.386 20 0 EEADMM CC(=O)CCCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000762855374 577709590 /nfs/dbraw/zinc/70/95/90/577709590.db2.gz JRYBENLHRLMXCL-UHFFFAOYSA-N -1 1 345.417 2.273 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)C1CCCCC1)c1ccccc1F ZINC000757374347 577859385 /nfs/dbraw/zinc/85/93/85/577859385.db2.gz KUIGFJBBIJMFLH-CQSZACIVSA-N -1 1 329.393 2.292 20 0 EEADMM COC(=O)C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000743821372 577890165 /nfs/dbraw/zinc/89/01/65/577890165.db2.gz NGGVZQKFPIZYJG-AWEZNQCLSA-N -1 1 334.759 2.475 20 0 EEADMM Nc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c(Cl)c1 ZINC000744842539 577904165 /nfs/dbraw/zinc/90/41/65/577904165.db2.gz FAGROUZGTGILPY-UHFFFAOYSA-N -1 1 332.743 2.036 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000747213004 577940891 /nfs/dbraw/zinc/94/08/91/577940891.db2.gz YRLMWROVFMXEHO-LLVKDONJSA-N -1 1 345.424 2.194 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4C(=O)[O-])C3)[nH]c2c1 ZINC000738667149 578023308 /nfs/dbraw/zinc/02/33/08/578023308.db2.gz DNQSYFDSBLGLGO-AGIUHOORSA-N -1 1 327.384 2.298 20 0 EEADMM Cc1oc(CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000738970102 578033102 /nfs/dbraw/zinc/03/31/02/578033102.db2.gz RLRXYPXRYMBWHP-KRWDZBQOSA-N -1 1 344.411 2.418 20 0 EEADMM O=C(CNC1(C(=O)[O-])CCCCC1)NC1C2CC3CC(C2)CC1C3 ZINC000739309863 578047940 /nfs/dbraw/zinc/04/79/40/578047940.db2.gz UGJVBLTXQJLDSC-UHFFFAOYSA-N -1 1 334.460 2.304 20 0 EEADMM COc1ccc([C@@H](NC(=O)CN2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000739892583 578071992 /nfs/dbraw/zinc/07/19/92/578071992.db2.gz HQSSZHQIOJHYRU-SFHVURJKSA-N -1 1 346.427 2.059 20 0 EEADMM C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000736206860 578187337 /nfs/dbraw/zinc/18/73/37/578187337.db2.gz ZGFYHKRVWFCRFO-RHSMWYFYSA-N -1 1 342.439 2.147 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]2CCCC[C@H]12 ZINC000736277273 578193073 /nfs/dbraw/zinc/19/30/73/578193073.db2.gz LYYHSYPEAIYLOV-UXIGCNINSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]2CCCC[C@H]12 ZINC000736277273 578193074 /nfs/dbraw/zinc/19/30/74/578193074.db2.gz LYYHSYPEAIYLOV-UXIGCNINSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)(NCC(=O)NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000736339765 578197207 /nfs/dbraw/zinc/19/72/07/578197207.db2.gz SAXWCNLHDDORTH-UHFFFAOYSA-N -1 1 334.416 2.077 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C)C(=O)[O-] ZINC000736412093 578202411 /nfs/dbraw/zinc/20/24/11/578202411.db2.gz LKEWPOVCOWWAFK-UAGQMJEPSA-N -1 1 332.444 2.480 20 0 EEADMM CCc1nc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cs1 ZINC000736705048 578219260 /nfs/dbraw/zinc/21/92/60/578219260.db2.gz XESFXFHPFXPKMF-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCc1nc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cs1 ZINC000736705048 578219261 /nfs/dbraw/zinc/21/92/61/578219261.db2.gz XESFXFHPFXPKMF-UHFFFAOYSA-N -1 1 338.400 2.441 20 0 EEADMM CCCc1nc([C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CCO2)n[nH]1 ZINC000737051685 578235330 /nfs/dbraw/zinc/23/53/30/578235330.db2.gz YMNWQZWUSPVRBE-CQSZACIVSA-N -1 1 348.378 2.168 20 0 EEADMM CCCc1n[nH]c([C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CCO2)n1 ZINC000737051685 578235331 /nfs/dbraw/zinc/23/53/31/578235331.db2.gz YMNWQZWUSPVRBE-CQSZACIVSA-N -1 1 348.378 2.168 20 0 EEADMM COc1ccc(C(C)(C)CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737071154 578236336 /nfs/dbraw/zinc/23/63/36/578236336.db2.gz CMORCKQVDJGXEX-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccc(C(C)(C)CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737071154 578236337 /nfs/dbraw/zinc/23/63/37/578236337.db2.gz CMORCKQVDJGXEX-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ncccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000737162678 578241460 /nfs/dbraw/zinc/24/14/60/578241460.db2.gz CCANMSYVQKLJJK-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ncccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000737162678 578241461 /nfs/dbraw/zinc/24/14/61/578241461.db2.gz CCANMSYVQKLJJK-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CN1CCC[C@@H]1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000737518237 578261896 /nfs/dbraw/zinc/26/18/96/578261896.db2.gz CPEOESXDKRVSRO-FUHWJXTLSA-N -1 1 340.423 2.294 20 0 EEADMM Clc1ccc(NCc2cn3c(n2)CCCC3)nc1-c1nnn[n-]1 ZINC000737576164 578265372 /nfs/dbraw/zinc/26/53/72/578265372.db2.gz WTPPAKRJLLWNOD-UHFFFAOYSA-N -1 1 330.783 2.060 20 0 EEADMM Clc1ccc(NCc2cn3c(n2)CCCC3)nc1-c1nn[n-]n1 ZINC000737576164 578265373 /nfs/dbraw/zinc/26/53/73/578265373.db2.gz WTPPAKRJLLWNOD-UHFFFAOYSA-N -1 1 330.783 2.060 20 0 EEADMM Cn1nccc1[C@@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737629470 578267602 /nfs/dbraw/zinc/26/76/02/578267602.db2.gz VUJSAPIVTCWMIV-SNVBAGLBSA-N -1 1 344.810 2.033 20 0 EEADMM Cn1nccc1[C@@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737629470 578267603 /nfs/dbraw/zinc/26/76/03/578267603.db2.gz VUJSAPIVTCWMIV-SNVBAGLBSA-N -1 1 344.810 2.033 20 0 EEADMM COCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000737836349 578270560 /nfs/dbraw/zinc/27/05/60/578270560.db2.gz RIUJHILBQAFISO-UHFFFAOYSA-N -1 1 342.398 2.097 20 0 EEADMM CC(=O)Nc1ccc(Oc2nnc(C)c(C)c2-c2nnn[n-]2)c(F)c1 ZINC000819818213 599084524 /nfs/dbraw/zinc/08/45/24/599084524.db2.gz SEACGLLZZDPRGJ-UHFFFAOYSA-N -1 1 343.322 2.163 20 0 EEADMM CC(=O)Nc1ccc(Oc2nnc(C)c(C)c2-c2nn[n-]n2)c(F)c1 ZINC000819818213 599084526 /nfs/dbraw/zinc/08/45/26/599084526.db2.gz SEACGLLZZDPRGJ-UHFFFAOYSA-N -1 1 343.322 2.163 20 0 EEADMM COC(=O)c1ccc(-c2nc(CN3CC[C@H](C(=O)[O-])C3)co2)cc1 ZINC000820680295 597721773 /nfs/dbraw/zinc/72/17/73/597721773.db2.gz QNQCUMNCYADEME-ZDUSSCGKSA-N -1 1 330.340 2.035 20 0 EEADMM CCN(C(C)=O)c1nc(CN[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000820332663 598193525 /nfs/dbraw/zinc/19/35/25/598193525.db2.gz AFRGGNNCGYEOLH-HNNXBMFYSA-N -1 1 347.440 2.301 20 0 EEADMM CCS(=O)(=O)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000820398199 598205306 /nfs/dbraw/zinc/20/53/06/598205306.db2.gz HRNUGUXDWRCHQG-UHFFFAOYSA-N -1 1 333.409 2.468 20 0 EEADMM COCCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC000821693930 599439579 /nfs/dbraw/zinc/43/95/79/599439579.db2.gz VFMNPBLENIQMTI-UHFFFAOYSA-N -1 1 329.360 2.405 20 0 EEADMM COCCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC000821693930 599439582 /nfs/dbraw/zinc/43/95/82/599439582.db2.gz VFMNPBLENIQMTI-UHFFFAOYSA-N -1 1 329.360 2.405 20 0 EEADMM Clc1nsc(N2CCC(c3cn[nH]c3)CC2)c1-c1nnn[n-]1 ZINC000822589904 599513367 /nfs/dbraw/zinc/51/33/67/599513367.db2.gz CMZCQGWTYNQWQA-UHFFFAOYSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1nsc(N2CCC(c3cn[nH]c3)CC2)c1-c1nn[n-]n1 ZINC000822589904 599513368 /nfs/dbraw/zinc/51/33/68/599513368.db2.gz CMZCQGWTYNQWQA-UHFFFAOYSA-N -1 1 336.812 2.084 20 0 EEADMM CC(C)OCCCN(C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000827026948 600822402 /nfs/dbraw/zinc/82/24/02/600822402.db2.gz ATZHWKBPYBKLOW-ZDUSSCGKSA-N -1 1 340.445 2.299 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C\Sc2ccccc2)CC1 ZINC000827355059 601099398 /nfs/dbraw/zinc/09/93/98/601099398.db2.gz HOCIBJQVDUBPED-YRBHFNIASA-N -1 1 334.441 2.300 20 0 EEADMM COc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)c1 ZINC000832398824 601132187 /nfs/dbraw/zinc/13/21/87/601132187.db2.gz RGVMGBKHKAWEMN-ZDUSSCGKSA-N -1 1 335.404 2.016 20 0 EEADMM Cc1cc2cc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)ccc2[nH]1 ZINC000832906417 601133121 /nfs/dbraw/zinc/13/31/21/601133121.db2.gz DPPRQHFZVCGZHG-CYBMUJFWSA-N -1 1 344.415 2.489 20 0 EEADMM Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc2[nH+]1 ZINC000832985618 601230475 /nfs/dbraw/zinc/23/04/75/601230475.db2.gz VKYNHNDGCSBXJS-UHFFFAOYSA-N -1 1 335.341 2.043 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825793731 601288208 /nfs/dbraw/zinc/28/82/08/601288208.db2.gz YUJWBPREMAVXFK-CMPYXILNSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000827386467 601337807 /nfs/dbraw/zinc/33/78/07/601337807.db2.gz TZIOCGUMHAKORP-SNVBAGLBSA-N -1 1 343.399 2.142 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000831527290 601539352 /nfs/dbraw/zinc/53/93/52/601539352.db2.gz VBEZQYWUQDKQSY-KDOFPFPSSA-N -1 1 334.416 2.459 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000828717833 601542825 /nfs/dbraw/zinc/54/28/25/601542825.db2.gz KQGXYFOTMWHCGR-POZUXBRTSA-N -1 1 332.444 2.266 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000824995324 607514026 /nfs/dbraw/zinc/51/40/26/607514026.db2.gz YSRZKUIXEMRCDZ-NHYWBVRUSA-N -1 1 342.428 2.285 20 0 EEADMM COC(=O)c1cc(NC(=O)CN(C)[C@@H](C)C2(C)CC2)cc(C(=O)[O-])c1 ZINC000831270253 601612324 /nfs/dbraw/zinc/61/23/24/601612324.db2.gz VADAWOZWIFXPJG-NSHDSACASA-N -1 1 348.399 2.230 20 0 EEADMM COCCCn1c(=O)[nH]nc1SCc1cc(C(=O)[O-])sc1C ZINC000831705647 601622271 /nfs/dbraw/zinc/62/22/71/601622271.db2.gz YZOVBLQJCNKBDF-UHFFFAOYSA-N -1 1 343.430 2.381 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN1CCN(CCOC(C)C)CC1 ZINC000833032646 601648803 /nfs/dbraw/zinc/64/88/03/601648803.db2.gz KDONYOZTYGQIIR-UHFFFAOYSA-N -1 1 326.462 2.297 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000827375098 601678144 /nfs/dbraw/zinc/67/81/44/601678144.db2.gz PSWGJKCWKHPWHX-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM CCCCC[C@@H](NC(=O)CSc1n[nH]c(=S)s1)C(=O)[O-] ZINC000829320544 601746917 /nfs/dbraw/zinc/74/69/17/601746917.db2.gz BQJYKXYQUALVSV-SSDOTTSWSA-N -1 1 335.476 2.069 20 0 EEADMM CN(C(=O)CN1CC[C@@](C)(C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000830477707 601950512 /nfs/dbraw/zinc/95/05/12/601950512.db2.gz CABYUCNXBSUIHL-MRXNPFEDSA-N -1 1 333.413 2.056 20 0 EEADMM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000832225643 602018334 /nfs/dbraw/zinc/01/83/34/602018334.db2.gz BDAPVPIEUSXYHW-XJKSGUPXSA-N -1 1 343.383 2.170 20 0 EEADMM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000833249527 602019762 /nfs/dbraw/zinc/01/97/62/602019762.db2.gz VJXXTTADJQUCQY-LLVKDONJSA-N -1 1 349.337 2.221 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccco1 ZINC000829666818 602064948 /nfs/dbraw/zinc/06/49/48/602064948.db2.gz SYBMWFQIUDCSBT-CXAGYDPISA-N -1 1 337.420 2.169 20 0 EEADMM O=C([O-])[C@H](OC(=O)CCc1nc[nH]n1)c1ccc(Cl)cc1Cl ZINC000833104159 602089317 /nfs/dbraw/zinc/08/93/17/602089317.db2.gz BEKTWQYSNZFSDU-GFCCVEGCSA-N -1 1 344.154 2.413 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825147666 607606532 /nfs/dbraw/zinc/60/65/32/607606532.db2.gz LEWLCWZWIHBSAU-CQSZACIVSA-N -1 1 338.371 2.196 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825147666 607606533 /nfs/dbraw/zinc/60/65/33/607606533.db2.gz LEWLCWZWIHBSAU-CQSZACIVSA-N -1 1 338.371 2.196 20 0 EEADMM CN(C)[C@H](CNC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000828278006 603971247 /nfs/dbraw/zinc/97/12/47/603971247.db2.gz KBTZXWWMFCEEMC-CQSZACIVSA-N -1 1 341.839 2.449 20 0 EEADMM O=C([O-])C[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000833209552 604478742 /nfs/dbraw/zinc/47/87/42/604478742.db2.gz FINGJWQJNZJXNP-ZIAGYGMSSA-N -1 1 335.404 2.065 20 0 EEADMM CCc1nn(CCCCC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763289 607711966 /nfs/dbraw/zinc/71/19/66/607711966.db2.gz SACUMURKJPMRPY-UHFFFAOYSA-N -1 1 344.341 2.281 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)c3cccc(C(=O)[O-])c3)[nH]c21 ZINC000820689313 604865296 /nfs/dbraw/zinc/86/52/96/604865296.db2.gz BWJWNVRLXYECNU-UHFFFAOYSA-N -1 1 339.307 2.300 20 0 EEADMM C[C@H](CCNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000833514841 605047420 /nfs/dbraw/zinc/04/74/20/605047420.db2.gz CFKAPGRESIRDKB-HZPDHXFCSA-N -1 1 347.459 2.371 20 0 EEADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833633744 605052472 /nfs/dbraw/zinc/05/24/72/605052472.db2.gz ZTXUNNGIKHICCA-GLJUWKHASA-N -1 1 345.443 2.110 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2CC(=O)[O-])C1 ZINC000833438498 605074568 /nfs/dbraw/zinc/07/45/68/605074568.db2.gz KBKQJICHEQQHJR-OAHLLOKOSA-N -1 1 334.416 2.413 20 0 EEADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833612535 605142265 /nfs/dbraw/zinc/14/22/65/605142265.db2.gz UCAOETPCJWBXAB-MCIONIFRSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1cccc(F)c1 ZINC000833514532 605278399 /nfs/dbraw/zinc/27/83/99/605278399.db2.gz SQBVYACLOWXFRI-KBPBESRZSA-N -1 1 336.407 2.327 20 0 EEADMM CC(C)(C)C(=O)NCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833422030 605360958 /nfs/dbraw/zinc/36/09/58/605360958.db2.gz RXEBVVYDKLEDBA-LBPRGKRZSA-N -1 1 330.787 2.357 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826339253 607765869 /nfs/dbraw/zinc/76/58/69/607765869.db2.gz XLSXFHPRICYIFM-ZETCQYMHSA-N -1 1 332.389 2.067 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826339253 607765870 /nfs/dbraw/zinc/76/58/70/607765870.db2.gz XLSXFHPRICYIFM-ZETCQYMHSA-N -1 1 332.389 2.067 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000833455149 605708820 /nfs/dbraw/zinc/70/88/20/605708820.db2.gz QVPIRXSLWMWHCH-UHFFFAOYSA-N -1 1 333.432 2.053 20 0 EEADMM O=C(OCCOc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823410391 606136163 /nfs/dbraw/zinc/13/61/63/606136163.db2.gz VAGBLXPDOLHLQE-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM O=C(OCCOc1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823410391 606136164 /nfs/dbraw/zinc/13/61/64/606136164.db2.gz VAGBLXPDOLHLQE-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM CN(CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)CC(F)(F)F ZINC000821600651 606454094 /nfs/dbraw/zinc/45/40/94/606454094.db2.gz WWRVGYZQYUBRPY-UHFFFAOYSA-N -1 1 349.748 2.211 20 0 EEADMM CN(CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)CC(F)(F)F ZINC000821600651 606454096 /nfs/dbraw/zinc/45/40/96/606454096.db2.gz WWRVGYZQYUBRPY-UHFFFAOYSA-N -1 1 349.748 2.211 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823182855 606559408 /nfs/dbraw/zinc/55/94/08/606559408.db2.gz PAFSPBOIXBVDMD-LLVKDONJSA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823182855 606559409 /nfs/dbraw/zinc/55/94/09/606559409.db2.gz PAFSPBOIXBVDMD-LLVKDONJSA-N -1 1 325.397 2.388 20 0 EEADMM CSc1ccsc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821989207 606652592 /nfs/dbraw/zinc/65/25/92/606652592.db2.gz IIWAWPAYFFMDSD-UHFFFAOYSA-N -1 1 333.398 2.402 20 0 EEADMM CSc1ccsc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821989207 606652593 /nfs/dbraw/zinc/65/25/93/606652593.db2.gz IIWAWPAYFFMDSD-UHFFFAOYSA-N -1 1 333.398 2.402 20 0 EEADMM CCc1nnc(Sc2nnc(C)s2)c(-c2nn[n-]n2)c1CC ZINC000821548460 606916344 /nfs/dbraw/zinc/91/63/44/606916344.db2.gz MNBVJGGUZRJRQO-UHFFFAOYSA-N -1 1 334.434 2.093 20 0 EEADMM Cc1nn(C)cc1[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822496761 607048251 /nfs/dbraw/zinc/04/82/51/607048251.db2.gz UILMEPCCYUOSOO-GFCCVEGCSA-N -1 1 344.810 2.299 20 0 EEADMM Cc1nn(C)cc1[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822496761 607048253 /nfs/dbraw/zinc/04/82/53/607048253.db2.gz UILMEPCCYUOSOO-GFCCVEGCSA-N -1 1 344.810 2.299 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000820842549 607093535 /nfs/dbraw/zinc/09/35/35/607093535.db2.gz NRNMIXZACABCKP-UHFFFAOYSA-N -1 1 341.302 2.213 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000820842549 607093537 /nfs/dbraw/zinc/09/35/37/607093537.db2.gz NRNMIXZACABCKP-UHFFFAOYSA-N -1 1 341.302 2.213 20 0 EEADMM Cc1cc(C)c(OCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822194356 607110025 /nfs/dbraw/zinc/11/00/25/607110025.db2.gz SZQKAESTNPBHLS-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1cc(C)c(OCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822194356 607110026 /nfs/dbraw/zinc/11/00/26/607110026.db2.gz SZQKAESTNPBHLS-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cnoc2C2CC2)n1 ZINC000826324477 607813477 /nfs/dbraw/zinc/81/34/77/607813477.db2.gz SNEIHROTHVEEJJ-UHFFFAOYSA-N -1 1 329.389 2.431 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824925985 607863184 /nfs/dbraw/zinc/86/31/84/607863184.db2.gz HZSLOVQXOYZCIT-GHMZBOCLSA-N -1 1 333.367 2.174 20 0 EEADMM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824925985 607863185 /nfs/dbraw/zinc/86/31/85/607863185.db2.gz HZSLOVQXOYZCIT-GHMZBOCLSA-N -1 1 333.367 2.174 20 0 EEADMM CC(C)CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000824249910 607866086 /nfs/dbraw/zinc/86/60/86/607866086.db2.gz XEFVHOJNFXHLAU-UHFFFAOYSA-N -1 1 333.367 2.032 20 0 EEADMM CC(C)CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000824249910 607866087 /nfs/dbraw/zinc/86/60/87/607866087.db2.gz XEFVHOJNFXHLAU-UHFFFAOYSA-N -1 1 333.367 2.032 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc(F)cc1F ZINC000826418346 607866664 /nfs/dbraw/zinc/86/66/64/607866664.db2.gz BPPSOJJXLUULJW-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc(F)cc1F ZINC000826418346 607866665 /nfs/dbraw/zinc/86/66/65/607866665.db2.gz BPPSOJJXLUULJW-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM COc1cc(Nc2cccc(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000826181357 607894992 /nfs/dbraw/zinc/89/49/92/607894992.db2.gz VZRDNTBMKRPERG-UHFFFAOYSA-N -1 1 328.332 2.031 20 0 EEADMM COc1cc(Nc2cccc(-c3nn[n-]n3)n2)cc(OC)c1OC ZINC000826181357 607894993 /nfs/dbraw/zinc/89/49/93/607894993.db2.gz VZRDNTBMKRPERG-UHFFFAOYSA-N -1 1 328.332 2.031 20 0 EEADMM CCSCc1ccnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825674693 608073996 /nfs/dbraw/zinc/07/39/96/608073996.db2.gz QJPFMKKBBZCWLK-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CCSCc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825674693 608073997 /nfs/dbraw/zinc/07/39/97/608073997.db2.gz QJPFMKKBBZCWLK-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM Clc1nsc(Oc2cccc(-n3cncn3)c2)c1-c1nn[n-]n1 ZINC000826354759 608184458 /nfs/dbraw/zinc/18/44/58/608184458.db2.gz UCSAVWJGQJCANI-UHFFFAOYSA-N -1 1 346.763 2.350 20 0 EEADMM FC(F)Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826369528 608184524 /nfs/dbraw/zinc/18/45/24/608184524.db2.gz GUNFRKFQBPXEJL-UHFFFAOYSA-N -1 1 332.727 2.182 20 0 EEADMM FC(F)Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826369528 608184525 /nfs/dbraw/zinc/18/45/25/608184525.db2.gz GUNFRKFQBPXEJL-UHFFFAOYSA-N -1 1 332.727 2.182 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2ncc[nH]2)c1-c1nnn[n-]1 ZINC000826353827 608189321 /nfs/dbraw/zinc/18/93/21/608189321.db2.gz FMBZVHBTYRMWTC-ZETCQYMHSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2ncc[nH]2)c1-c1nn[n-]n1 ZINC000826353827 608189322 /nfs/dbraw/zinc/18/93/22/608189322.db2.gz FMBZVHBTYRMWTC-ZETCQYMHSA-N -1 1 336.812 2.431 20 0 EEADMM CCC1(O)CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000825176343 608239190 /nfs/dbraw/zinc/23/91/90/608239190.db2.gz QEIUAXNGWIDBLZ-UHFFFAOYSA-N -1 1 339.403 2.306 20 0 EEADMM CCC1(O)CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000825176343 608239192 /nfs/dbraw/zinc/23/91/92/608239192.db2.gz QEIUAXNGWIDBLZ-UHFFFAOYSA-N -1 1 339.403 2.306 20 0 EEADMM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825192773 608279948 /nfs/dbraw/zinc/27/99/48/608279948.db2.gz IDQVIOSEZXYDJA-IUCAKERBSA-N -1 1 348.432 2.092 20 0 EEADMM O=C(OCc1ccc(F)cc1-c1nn[nH]n1)c1ccc([O-])cc1F ZINC000826466180 608323473 /nfs/dbraw/zinc/32/34/73/608323473.db2.gz RNGYNIBZPBPXAL-UHFFFAOYSA-N -1 1 332.266 2.208 20 0 EEADMM COc1cc(C)c([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1OC ZINC000826178390 608398658 /nfs/dbraw/zinc/39/86/58/608398658.db2.gz WEWUJWHXSVPGPE-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM COc1cc(C)c([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1OC ZINC000826178390 608398661 /nfs/dbraw/zinc/39/86/61/608398661.db2.gz WEWUJWHXSVPGPE-JTQLQIEISA-N -1 1 341.375 2.155 20 0 EEADMM Brc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000823832872 608405894 /nfs/dbraw/zinc/40/58/94/608405894.db2.gz XOEFMPHEYYDTPW-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000823832872 608405896 /nfs/dbraw/zinc/40/58/96/608405896.db2.gz XOEFMPHEYYDTPW-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM c1csc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc2)n1 ZINC000826520571 608414664 /nfs/dbraw/zinc/41/46/64/608414664.db2.gz NAQFYAQIMMIFCT-CYBMUJFWSA-N -1 1 336.384 2.315 20 0 EEADMM c1csc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc2)n1 ZINC000826520571 608414665 /nfs/dbraw/zinc/41/46/65/608414665.db2.gz NAQFYAQIMMIFCT-CYBMUJFWSA-N -1 1 336.384 2.315 20 0 EEADMM Fc1ccccc1CC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826378363 608418823 /nfs/dbraw/zinc/41/88/23/608418823.db2.gz GMRNERYPIJJAHZ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccccc1CC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826378363 608418825 /nfs/dbraw/zinc/41/88/25/608418825.db2.gz GMRNERYPIJJAHZ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826523824 608429689 /nfs/dbraw/zinc/42/96/89/608429689.db2.gz ZADIDLJSACAPAZ-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM c1ccc2c(c1)CCS[C@@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826523824 608429690 /nfs/dbraw/zinc/42/96/90/608429690.db2.gz ZADIDLJSACAPAZ-CYBMUJFWSA-N -1 1 325.401 2.099 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000824071443 608454721 /nfs/dbraw/zinc/45/47/21/608454721.db2.gz INCILLCOIZHAGM-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM CC(C)(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000824071443 608454722 /nfs/dbraw/zinc/45/47/22/608454722.db2.gz INCILLCOIZHAGM-LLVKDONJSA-N -1 1 329.282 2.396 20 0 EEADMM Cc1csc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)n1 ZINC000826320587 608664296 /nfs/dbraw/zinc/66/42/96/608664296.db2.gz WLEZGEAOGAQANK-LLVKDONJSA-N -1 1 348.457 2.267 20 0 EEADMM Clc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)cc1 ZINC000826351354 608894296 /nfs/dbraw/zinc/89/42/96/608894296.db2.gz JLBKHJBAHOOWDG-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)cc1 ZINC000826351354 608894298 /nfs/dbraw/zinc/89/42/98/608894298.db2.gz JLBKHJBAHOOWDG-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM c1coc(CN(Cc2cccnc2)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826525716 609296635 /nfs/dbraw/zinc/29/66/35/609296635.db2.gz WKPNAIGETKYUNF-UHFFFAOYSA-N -1 1 347.382 2.452 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]21 ZINC001021442482 676088650 /nfs/dbraw/zinc/08/86/50/676088650.db2.gz XTJMPDPHGJYEGT-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H]1CN(C(=O)C2=CCCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020733409 675460035 /nfs/dbraw/zinc/46/00/35/675460035.db2.gz YORBAUPADZANJP-HIFRSBDPSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)CC(C)(C)CC(F)(F)F)nc2n1 ZINC000890962487 675835771 /nfs/dbraw/zinc/83/57/71/675835771.db2.gz ARIBUTUNRYAGAR-UHFFFAOYSA-N -1 1 331.298 2.033 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1)c1ncccc1[O-] ZINC001021239290 675872457 /nfs/dbraw/zinc/87/24/57/675872457.db2.gz GONVPYYUSCCATK-YHWZYXNKSA-N -1 1 344.440 2.169 20 0 EEADMM CCc1ccsc1C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011037681 676646949 /nfs/dbraw/zinc/64/69/49/676646949.db2.gz GTYPPYSYYLBBRW-UHFFFAOYSA-N -1 1 345.424 2.009 20 0 EEADMM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]c1ccc(=O)n(C)n1 ZINC000891635719 676743591 /nfs/dbraw/zinc/74/35/91/676743591.db2.gz UCEHPWFKXKQGNK-UHFFFAOYSA-N -1 1 337.326 2.298 20 0 EEADMM COc1cc(CC[N-]S(=O)(=O)c2ccc(F)nc2F)ccc1C ZINC000866858509 677912081 /nfs/dbraw/zinc/91/20/81/677912081.db2.gz BHBZBMDSBXIYPI-UHFFFAOYSA-N -1 1 342.367 2.198 20 0 EEADMM CCC[C@@H](NCC(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000262325119 679134386 /nfs/dbraw/zinc/13/43/86/679134386.db2.gz WTDJWTAIMWHHKC-CQSZACIVSA-N -1 1 342.823 2.020 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSC[C@@H]2c2ccccc2)C1 ZINC000909404096 681267620 /nfs/dbraw/zinc/26/76/20/681267620.db2.gz YRMDOQPJQKTSKC-JKSUJKDBSA-N -1 1 348.468 2.100 20 0 EEADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ncccc2[O-])co1 ZINC000937361787 681345125 /nfs/dbraw/zinc/34/51/25/681345125.db2.gz AMZHMBRREORTMZ-AWEZNQCLSA-N -1 1 343.383 2.113 20 0 EEADMM CC(C)n1c(CNC(=O)c2ccc(-n3cccn3)nc2)n[n-]c1=S ZINC000066640874 681787258 /nfs/dbraw/zinc/78/72/58/681787258.db2.gz FWAFGBDTLLGOLP-UHFFFAOYSA-N -1 1 343.416 2.032 20 0 EEADMM COCc1nc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000892673414 682278393 /nfs/dbraw/zinc/27/83/93/682278393.db2.gz DZOXYXJZLRVWBN-SMDDNHRTSA-N -1 1 333.363 2.434 20 0 EEADMM COCc1nc(N2CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000894340386 682548161 /nfs/dbraw/zinc/54/81/61/682548161.db2.gz JQWTUDLSBZWPBD-RYUDHWBXSA-N -1 1 337.420 2.133 20 0 EEADMM O=S(=O)([N-]CCOC1CCC1)c1cc(Cl)cnc1Cl ZINC000866888890 685570831 /nfs/dbraw/zinc/57/08/31/685570831.db2.gz OPMQNUDGELBJMG-UHFFFAOYSA-N -1 1 325.217 2.236 20 0 EEADMM Cc1noc(CN[C@H](C)C2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC001029053397 682812986 /nfs/dbraw/zinc/81/29/86/682812986.db2.gz IGNXVFCKPUQTCJ-GFCCVEGCSA-N -1 1 344.415 2.114 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1)c1ncccc1[O-] ZINC000983586456 682904665 /nfs/dbraw/zinc/90/46/65/682904665.db2.gz VJQLDDBZWRKWQQ-ZIAGYGMSSA-N -1 1 343.427 2.135 20 0 EEADMM CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973723468 683158258 /nfs/dbraw/zinc/15/82/58/683158258.db2.gz PCUFNYWRYPBSMU-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000909411099 683202586 /nfs/dbraw/zinc/20/25/86/683202586.db2.gz LHTSAPVRWYERCF-DOTOQJQBSA-N -1 1 330.428 2.319 20 0 EEADMM Cc1occc1C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000983865907 683645604 /nfs/dbraw/zinc/64/56/04/683645604.db2.gz GFMVZLFFBCJQMO-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CCCCCC[C@](C)(NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)[O-] ZINC000909429183 683667302 /nfs/dbraw/zinc/66/73/02/683667302.db2.gz HSCQHODEHLUCJT-BBRMVZONSA-N -1 1 330.494 2.354 20 0 EEADMM CCCCCC[C@](C)(NC(=O)CN(C)[C@H]1CCSC1)C(=O)[O-] ZINC000909429183 683667304 /nfs/dbraw/zinc/66/73/04/683667304.db2.gz HSCQHODEHLUCJT-BBRMVZONSA-N -1 1 330.494 2.354 20 0 EEADMM CN(CCc1ccccc1)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000909462645 684083186 /nfs/dbraw/zinc/08/31/86/684083186.db2.gz GKCAWWCJYRZBOJ-UHFFFAOYSA-N -1 1 340.423 2.218 20 0 EEADMM CN(C(=O)CC1CCCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984109849 684112017 /nfs/dbraw/zinc/11/20/17/684112017.db2.gz YOFCYHMFJHSITH-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000984112098 684113989 /nfs/dbraw/zinc/11/39/89/684113989.db2.gz FQXWFYPNKQMEPM-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1nc(CNC(=O)[C@@H](C)N2CCCCCC2)sc1C(=O)[O-] ZINC000909501145 684226475 /nfs/dbraw/zinc/22/64/75/684226475.db2.gz CFYOHTTXTBTYAQ-LLVKDONJSA-N -1 1 325.434 2.030 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1)c1ncccc1[O-] ZINC000974055017 684265205 /nfs/dbraw/zinc/26/52/05/684265205.db2.gz XHWCLPDXJUWYKO-SOUVJXGZSA-N -1 1 343.427 2.301 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000984519297 684692577 /nfs/dbraw/zinc/69/25/77/684692577.db2.gz ZRMZDIJCCWICBV-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1nc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)cs1 ZINC000974494421 684989151 /nfs/dbraw/zinc/98/91/51/684989151.db2.gz ZGIYFYQBLIQLDP-AWEZNQCLSA-N -1 1 346.456 2.193 20 0 EEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(C(C)C)[nH]n1 ZINC000262379145 685706160 /nfs/dbraw/zinc/70/61/60/685706160.db2.gz IAEZABDDXAKTNO-LBPRGKRZSA-N -1 1 325.409 2.123 20 0 EEADMM CC(C)(C)/C=C/C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514368 686259056 /nfs/dbraw/zinc/25/90/56/686259056.db2.gz BMYTUTPJACLBRT-VIIAAUOXSA-N -1 1 345.443 2.358 20 0 EEADMM CN(C)[C@H](CNC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccs1 ZINC000901891501 694093840 /nfs/dbraw/zinc/09/38/40/694093840.db2.gz VFLTYFLANDCXCT-CFHLNLSMSA-N -1 1 334.397 2.472 20 0 EEADMM CC1(C)CCC[C@H](CC(=O)N2CC(NC(=O)c3ncccc3[O-])C2)C1 ZINC000990968367 694131613 /nfs/dbraw/zinc/13/16/13/694131613.db2.gz GRUHIXSAXJLEAY-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)c2C1 ZINC000909360222 687835610 /nfs/dbraw/zinc/83/56/10/687835610.db2.gz LRVDPRPWCIWNRE-PSLIRLAXSA-N -1 1 331.347 2.229 20 0 EEADMM Nc1nc([O-])c(CC(=O)Nc2ncc(Cc3ccccc3)s2)s1 ZINC000079606127 688034702 /nfs/dbraw/zinc/03/47/02/688034702.db2.gz CJPOAUZVALTOCG-NSHDSACASA-N -1 1 346.437 2.019 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979147489 694217320 /nfs/dbraw/zinc/21/73/20/694217320.db2.gz KWHIPKJFANWCOK-MJBXVCDLSA-N -1 1 345.443 2.238 20 0 EEADMM COc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)n[nH]2)cc1 ZINC000263310106 689657182 /nfs/dbraw/zinc/65/71/82/689657182.db2.gz HVPCZQDHDUUCNL-WCQYABFASA-N -1 1 343.383 2.268 20 0 EEADMM C[C@H](O)CN(CC(F)F)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897919800 691823609 /nfs/dbraw/zinc/82/36/09/691823609.db2.gz JAZWCFHHWCGDKY-VIFPVBQESA-N -1 1 325.311 2.339 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1C(C)(C)C1(C)C ZINC000977542001 692740067 /nfs/dbraw/zinc/74/00/67/692740067.db2.gz QKNNDKITTYRTIH-GFCCVEGCSA-N -1 1 345.443 2.142 20 0 EEADMM Cc1conc1CN1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC000990397223 692874968 /nfs/dbraw/zinc/87/49/68/692874968.db2.gz LOCBWMSUWRBEGV-YJBOKZPZSA-N -1 1 342.399 2.011 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)C1CC=CC1)C(=O)c1ncccc1[O-] ZINC000990505125 692980329 /nfs/dbraw/zinc/98/03/29/692980329.db2.gz IFABNQSZZXZMDP-HNNXBMFYSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)/C=C/C1CC1)C(=O)c1ncccc1[O-] ZINC000990507402 692986405 /nfs/dbraw/zinc/98/64/05/692986405.db2.gz DKIMFKLJYWCMLQ-FEAKQIBJSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)c1occc1Cl ZINC000978337257 693507190 /nfs/dbraw/zinc/50/71/90/693507190.db2.gz BNOKKVPQDTXWPX-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM C[C@]1(C(=O)N[C@H]2CCCCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC000943443258 1192281203 /nfs/dbraw/zinc/28/12/03/1192281203.db2.gz VTPIBYZKBQQYEF-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM Cn1cc(Cl)c(CNC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000393660153 1179176042 /nfs/dbraw/zinc/17/60/42/1179176042.db2.gz XHJOHAWLGYLVOK-UHFFFAOYSA-N -1 1 344.596 2.472 20 0 EEADMM CCCc1nsc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174712 1180713073 /nfs/dbraw/zinc/71/30/73/1180713073.db2.gz JNMCXEFFBMZZHO-LLVKDONJSA-N -1 1 349.460 2.458 20 0 EEADMM O=C(c1ccc([S-])cc1)N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001270044648 1184810343 /nfs/dbraw/zinc/81/03/43/1184810343.db2.gz XTWBGUOKUIFQDS-IYBDPMFKSA-N -1 1 342.468 2.161 20 0 EEADMM CCCC1(C(=O)N2CC[C@H](CN(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC001409003527 1185643394 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Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cc(C)cc(C)c1 ZINC001609397977 1351960383 /nfs/dbraw/zinc/96/03/83/1351960383.db2.gz JHIWVLSCEWFSSY-UHFFFAOYSA-N -1 1 325.372 2.357 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cc(C)cc(C)c1 ZINC001609397977 1351960386 /nfs/dbraw/zinc/96/03/86/1351960386.db2.gz JHIWVLSCEWFSSY-UHFFFAOYSA-N -1 1 325.372 2.357 20 0 EEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609439430 1351977886 /nfs/dbraw/zinc/97/78/86/1351977886.db2.gz GQFOKALKEALUJS-UWVGGRQHSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609439430 1351977888 /nfs/dbraw/zinc/97/78/88/1351977888.db2.gz GQFOKALKEALUJS-UWVGGRQHSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1cccc(-c2noc(COc3cccnc3-c3nnn[n-]3)n2)c1 ZINC001609429783 1351974010 /nfs/dbraw/zinc/97/40/10/1351974010.db2.gz BYEUREYHYFQNDF-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1cccc(-c2noc(COc3cccnc3-c3nn[n-]n3)n2)c1 ZINC001609429783 1351974012 /nfs/dbraw/zinc/97/40/12/1351974012.db2.gz 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COCCN1[C@H](C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C[C@@H]1C ZINC001610261407 1352195978 /nfs/dbraw/zinc/19/59/78/1352195978.db2.gz BJNFMRZDXDQSPY-OKILXGFUSA-N -1 1 349.431 2.266 20 0 EEADMM O=C([O-])CN(CCS(=O)(=O)c1ccc(Cl)cc1)C1CCC1 ZINC000848599404 1338727537 /nfs/dbraw/zinc/72/75/37/1338727537.db2.gz IZJOSSQCSGPUQF-UHFFFAOYSA-N -1 1 331.821 2.053 20 0 EEADMM O=C([O-])c1cccc(OCCOC(=O)c2cccc3[nH]ncc32)c1 ZINC001610849518 1352285149 /nfs/dbraw/zinc/28/51/49/1352285149.db2.gz OXJOPBJJYGOHEY-UHFFFAOYSA-N -1 1 326.308 2.497 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCN(C/C=C/c3ccc(F)cc3F)C2)nn1 ZINC001610859903 1352286724 /nfs/dbraw/zinc/28/67/24/1352286724.db2.gz YDHUXADHWNMITO-ZIYVKSGCSA-N -1 1 334.326 2.215 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)F)c1 ZINC001610867992 1352287873 /nfs/dbraw/zinc/28/78/73/1352287873.db2.gz QLCJRVUGFJYXCV-NSHDSACASA-N -1 1 331.296 2.263 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CC(C)C ZINC001433694780 1341661561 /nfs/dbraw/zinc/66/15/61/1341661561.db2.gz RVHKEKFGICOXFS-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCCCC[C@@H]1c1ncon1 ZINC001433841164 1341704607 /nfs/dbraw/zinc/70/46/07/1341704607.db2.gz CNMVDVQJOHJEGU-GFCCVEGCSA-N -1 1 329.360 2.200 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)F)cc2)o1 ZINC001434403246 1341838439 /nfs/dbraw/zinc/83/84/39/1341838439.db2.gz ZOUVIROBULSUOW-UHFFFAOYSA-N -1 1 330.312 2.378 20 0 EEADMM O=C(Nc1nn[n-]n1)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC001565957898 1342526935 /nfs/dbraw/zinc/52/69/35/1342526935.db2.gz BPPDIGKJYOSCNJ-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM Cn1cnc2cc(C[N-]S(=O)(=O)c3c(F)cccc3F)ccc21 ZINC001561930543 1342532647 /nfs/dbraw/zinc/53/26/47/1342532647.db2.gz ATYHYQCUMXILKR-UHFFFAOYSA-N -1 1 337.351 2.330 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001576098468 1343965827 /nfs/dbraw/zinc/96/58/27/1343965827.db2.gz UXUIJJSWIFWOQQ-CZULRBLNSA-N -1 1 333.342 2.167 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001576098468 1343965831 /nfs/dbraw/zinc/96/58/31/1343965831.db2.gz UXUIJJSWIFWOQQ-CZULRBLNSA-N -1 1 333.342 2.167 20 0 EEADMM CCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](CC)C1 ZINC001576425888 1344014279 /nfs/dbraw/zinc/01/42/79/1344014279.db2.gz IZBVYABDKDJPPQ-GHMZBOCLSA-N -1 1 349.464 2.081 20 0 EEADMM CN(Cc1ccc2c(c1)OC(F)(F)O2)c1cccc(-c2nnn[n-]2)n1 ZINC001579253328 1344358742 /nfs/dbraw/zinc/35/87/42/1344358742.db2.gz MRZOCWHIKZCNNH-UHFFFAOYSA-N -1 1 346.297 2.220 20 0 EEADMM CN(Cc1ccc2c(c1)OC(F)(F)O2)c1cccc(-c2nn[n-]n2)n1 ZINC001579253328 1344358746 /nfs/dbraw/zinc/35/87/46/1344358746.db2.gz MRZOCWHIKZCNNH-UHFFFAOYSA-N -1 1 346.297 2.220 20 0 EEADMM COC(=O)c1ccc(N2CCc3c2cccc3C)c(-c2nnn[n-]2)n1 ZINC001579483106 1344388583 /nfs/dbraw/zinc/38/85/83/1344388583.db2.gz ZRYBQJBVPYEIJF-UHFFFAOYSA-N -1 1 336.355 2.051 20 0 EEADMM COC(=O)c1ccc(N2CCc3c2cccc3C)c(-c2nn[n-]n2)n1 ZINC001579483106 1344388587 /nfs/dbraw/zinc/38/85/87/1344388587.db2.gz ZRYBQJBVPYEIJF-UHFFFAOYSA-N -1 1 336.355 2.051 20 0 EEADMM COC(=O)c1ccsc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579488482 1344389500 /nfs/dbraw/zinc/38/95/00/1344389500.db2.gz HFDOVMREGKHIHE-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COc1ccc2c(c1)CCN2C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580050165 1344459110 /nfs/dbraw/zinc/45/91/10/1344459110.db2.gz JYQSPCSKQBIHNT-UHFFFAOYSA-N -1 1 327.369 2.140 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001581215695 1344600079 /nfs/dbraw/zinc/60/00/79/1344600079.db2.gz FEFBSGVBLXGPOU-XQQFMLRXSA-N -1 1 334.383 2.097 20 0 EEADMM Cc1ccccc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581259926 1344607689 /nfs/dbraw/zinc/60/76/89/1344607689.db2.gz SDWOGNALZYJYCW-UHFFFAOYSA-N -1 1 329.310 2.383 20 0 EEADMM Cc1ccccc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581259926 1344607693 /nfs/dbraw/zinc/60/76/93/1344607693.db2.gz SDWOGNALZYJYCW-UHFFFAOYSA-N -1 1 329.310 2.383 20 0 EEADMM Cc1onc(CC(=O)N2CCCCC[C@H]2C(C)C)c1-c1nnn[n-]1 ZINC001581738796 1344658379 /nfs/dbraw/zinc/65/83/79/1344658379.db2.gz BJTMFYKFNNGBSO-ZDUSSCGKSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCCCC[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC001581738796 1344658384 /nfs/dbraw/zinc/65/83/84/1344658384.db2.gz BJTMFYKFNNGBSO-ZDUSSCGKSA-N -1 1 332.408 2.133 20 0 EEADMM c1ccc(-c2cc(CNc3nccnc3-c3nnn[n-]3)ccn2)cc1 ZINC001582817532 1344796739 /nfs/dbraw/zinc/79/67/39/1344796739.db2.gz LWMJHMHFCUCMNR-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cc(CNc3nccnc3-c3nn[n-]n3)ccn2)cc1 ZINC001582817532 1344796745 /nfs/dbraw/zinc/79/67/45/1344796745.db2.gz LWMJHMHFCUCMNR-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM O=C(c1cc(Br)ccc1[O-])N1CCOC[C@@H]1C1CC1 ZINC001362309699 1373392337 /nfs/dbraw/zinc/39/23/37/1373392337.db2.gz ZMTQVQJZWGZUSW-GFCCVEGCSA-N -1 1 326.190 2.406 20 0 EEADMM CC(=O)CCCCCn1c(C(F)(F)F)ccc(-c2nn[n-]n2)c1=O ZINC001588792063 1348937514 /nfs/dbraw/zinc/93/75/14/1348937514.db2.gz 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ZINC001589190450 1348967919 /nfs/dbraw/zinc/96/79/19/1348967919.db2.gz HBCAWMHVHUDGKR-UHFFFAOYSA-N -1 1 341.375 2.157 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001589201587 1348970171 /nfs/dbraw/zinc/97/01/71/1348970171.db2.gz MCLUWBZIWKGSAB-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001589201587 1348970174 /nfs/dbraw/zinc/97/01/74/1348970174.db2.gz MCLUWBZIWKGSAB-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1ccncc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001589231645 1348972892 /nfs/dbraw/zinc/97/28/92/1348972892.db2.gz BWGXQLZERHXGGL-UHFFFAOYSA-N -1 1 329.433 2.306 20 0 EEADMM CC(C)[C@]1(CO)CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001589494959 1348996536 /nfs/dbraw/zinc/99/65/36/1348996536.db2.gz RVWUZERQRZXJBZ-CYBMUJFWSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)COc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001589647398 1349015542 /nfs/dbraw/zinc/01/55/42/1349015542.db2.gz QIHUTMCHLQWPDB-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)COc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001589647398 1349015545 /nfs/dbraw/zinc/01/55/45/1349015545.db2.gz QIHUTMCHLQWPDB-UHFFFAOYSA-N -1 1 339.403 2.346 20 0 EEADMM CC(C)CSCCCNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589651498 1349015929 /nfs/dbraw/zinc/01/59/29/1349015929.db2.gz WIBQFILSJFNOHD-UHFFFAOYSA-N -1 1 325.463 2.437 20 0 EEADMM CC(C)CSCCCNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589651498 1349015934 /nfs/dbraw/zinc/01/59/34/1349015934.db2.gz WIBQFILSJFNOHD-UHFFFAOYSA-N -1 1 325.463 2.437 20 0 EEADMM CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CN1CC2(CC2)CC1=O ZINC001589702201 1349021992 /nfs/dbraw/zinc/02/19/92/1349021992.db2.gz WUTWIOOADAGUMT-UHFFFAOYSA-N -1 1 340.431 2.047 20 0 EEADMM CC(C)O[C@H](COc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001589736863 1349024525 /nfs/dbraw/zinc/02/45/25/1349024525.db2.gz CWWPYAFQCXYEKQ-CQSZACIVSA-N -1 1 326.360 2.202 20 0 EEADMM CC(C)c1ocnc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001589780415 1349038908 /nfs/dbraw/zinc/03/89/08/1349038908.db2.gz JRZPJTAJIXTTHJ-UHFFFAOYSA-N -1 1 336.355 2.341 20 0 EEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)C(=O)OCc1ccccc1 ZINC001589971588 1349086346 /nfs/dbraw/zinc/08/63/46/1349086346.db2.gz YDOOBPZAHIUCCL-LLVKDONJSA-N -1 1 343.412 2.150 20 0 EEADMM CC1(C)CC(Cn2cc(Br)cc(-c3nn[n-]n3)c2=O)C1 ZINC001590081230 1349142405 /nfs/dbraw/zinc/14/24/05/1349142405.db2.gz UFSBETUBOQMHGV-UHFFFAOYSA-N -1 1 338.209 2.227 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001590083255 1349144347 /nfs/dbraw/zinc/14/43/47/1349144347.db2.gz SOFAEDHONFKKSX-OAHLLOKOSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001590083255 1349144353 /nfs/dbraw/zinc/14/43/53/1349144353.db2.gz SOFAEDHONFKKSX-OAHLLOKOSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)C[C@]1(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590086789 1349146224 /nfs/dbraw/zinc/14/62/24/1349146224.db2.gz MOAXUSJZQSAEPD-SFHVURJKSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)C[C@]1(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590086789 1349146233 /nfs/dbraw/zinc/14/62/33/1349146233.db2.gz MOAXUSJZQSAEPD-SFHVURJKSA-N -1 1 334.383 2.317 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc2O1 ZINC001590103974 1349157839 /nfs/dbraw/zinc/15/78/39/1349157839.db2.gz NQLSOLCDSWSWDL-UHFFFAOYSA-N -1 1 336.355 2.080 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc2O1 ZINC001590103974 1349157845 /nfs/dbraw/zinc/15/78/45/1349157845.db2.gz NQLSOLCDSWSWDL-UHFFFAOYSA-N -1 1 336.355 2.080 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC(C)(C)O1 ZINC001590109347 1349160194 /nfs/dbraw/zinc/16/01/94/1349160194.db2.gz UTGWCSBEZZKHTG-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC(C)(C)O1 ZINC001590109347 1349160202 /nfs/dbraw/zinc/16/02/02/1349160202.db2.gz UTGWCSBEZZKHTG-UHFFFAOYSA-N -1 1 328.829 2.370 20 0 EEADMM CC1(C)N[C@@H](c2csc(-c3nn[n-]n3)c2)N(c2ccccc2)C1=O ZINC001590115003 1349160872 /nfs/dbraw/zinc/16/08/72/1349160872.db2.gz NLKXXHZSVPOYHQ-CQSZACIVSA-N -1 1 340.412 2.342 20 0 EEADMM C[C@@]1(CC(=O)OCc2nc(-c3nnn[n-]3)cs2)CC1(Cl)Cl ZINC001590123470 1349164194 /nfs/dbraw/zinc/16/41/94/1349164194.db2.gz ODMRJKSROCQDOT-SNVBAGLBSA-N -1 1 348.215 2.340 20 0 EEADMM C[C@@]1(CC(=O)OCc2nc(-c3nn[n-]n3)cs2)CC1(Cl)Cl ZINC001590123470 1349164195 /nfs/dbraw/zinc/16/41/95/1349164195.db2.gz ODMRJKSROCQDOT-SNVBAGLBSA-N -1 1 348.215 2.340 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@@H]1C ZINC001590245375 1349223399 /nfs/dbraw/zinc/22/33/99/1349223399.db2.gz VUFYFPVGMBACAR-FXPVBKGRSA-N -1 1 334.811 2.470 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001590400451 1349303095 /nfs/dbraw/zinc/30/30/95/1349303095.db2.gz QKNRYDGGMDEADO-XCBNKYQSSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001590400451 1349303100 /nfs/dbraw/zinc/30/31/00/1349303100.db2.gz QKNRYDGGMDEADO-XCBNKYQSSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001590415801 1349313880 /nfs/dbraw/zinc/31/38/80/1349313880.db2.gz MBWJJQJCRGYUGO-SNVBAGLBSA-N -1 1 339.359 2.086 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001590415801 1349313883 /nfs/dbraw/zinc/31/38/83/1349313883.db2.gz MBWJJQJCRGYUGO-SNVBAGLBSA-N -1 1 339.359 2.086 20 0 EEADMM CCC(CC)NC(=O)[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001590436012 1349323721 /nfs/dbraw/zinc/32/37/21/1349323721.db2.gz YHCYFJXTQYTXBQ-QMMMGPOBSA-N -1 1 340.478 2.250 20 0 EEADMM CCC(CC)NC(=O)[C@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001590436012 1349323726 /nfs/dbraw/zinc/32/37/26/1349323726.db2.gz YHCYFJXTQYTXBQ-QMMMGPOBSA-N -1 1 340.478 2.250 20 0 EEADMM CC[C@H](OCCn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001590478907 1349350054 /nfs/dbraw/zinc/35/00/54/1349350054.db2.gz GALIBAKMGPGVFI-HNNXBMFYSA-N -1 1 325.372 2.196 20 0 EEADMM CC[C@@H]1C[C@@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001590502693 1349357916 /nfs/dbraw/zinc/35/79/16/1349357916.db2.gz CUVPYCVKGSMQDF-NKWVEPMBSA-N -1 1 342.812 2.120 20 0 EEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590511984 1349362041 /nfs/dbraw/zinc/36/20/41/1349362041.db2.gz AYMFLSAQBOEBKP-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590512175 1349362521 /nfs/dbraw/zinc/36/25/21/1349362521.db2.gz PQRBFIBAZHLWEJ-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590512175 1349362525 /nfs/dbraw/zinc/36/25/25/1349362525.db2.gz PQRBFIBAZHLWEJ-CMPLNLGQSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590512178 1349362708 /nfs/dbraw/zinc/36/27/08/1349362708.db2.gz PQRBFIBAZHLWEJ-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590512178 1349362716 /nfs/dbraw/zinc/36/27/16/1349362716.db2.gz PQRBFIBAZHLWEJ-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM CCOC(=O)CN(CC(C)C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590764768 1349398197 /nfs/dbraw/zinc/39/81/97/1349398197.db2.gz VRTJUODKPMWRLW-UHFFFAOYSA-N -1 1 344.828 2.002 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC001590789636 1349400518 /nfs/dbraw/zinc/40/05/18/1349400518.db2.gz AZAHURABXVEXAO-CABCVRRESA-N -1 1 328.420 2.223 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC001590789636 1349400519 /nfs/dbraw/zinc/40/05/19/1349400519.db2.gz AZAHURABXVEXAO-CABCVRRESA-N -1 1 328.420 2.223 20 0 EEADMM CCc1nc(NCCCc2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001590918971 1349413004 /nfs/dbraw/zinc/41/30/04/1349413004.db2.gz KBRJCHBOALEQKP-UHFFFAOYSA-N -1 1 327.367 2.403 20 0 EEADMM CCc1nc(NCCCc2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001590918971 1349413010 /nfs/dbraw/zinc/41/30/10/1349413010.db2.gz KBRJCHBOALEQKP-UHFFFAOYSA-N -1 1 327.367 2.403 20 0 EEADMM COc1ccc(F)cc1[C@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591606016 1349512737 /nfs/dbraw/zinc/51/27/37/1349512737.db2.gz KRZIGGTVLSEBHD-QMMMGPOBSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc(F)cc1[C@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591606016 1349512740 /nfs/dbraw/zinc/51/27/40/1349512740.db2.gz KRZIGGTVLSEBHD-QMMMGPOBSA-N -1 1 329.339 2.286 20 0 EEADMM COc1cccc2c1CCC[C@H](Nc1nccnc1-c1nnn[n-]1)C2 ZINC001591643056 1349520427 /nfs/dbraw/zinc/52/04/27/1349520427.db2.gz WALLHUQEXWEUKZ-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM COc1cccc2c1CCC[C@H](Nc1nccnc1-c1nn[n-]n1)C2 ZINC001591643056 1349520433 /nfs/dbraw/zinc/52/04/33/1349520433.db2.gz WALLHUQEXWEUKZ-LBPRGKRZSA-N -1 1 337.387 2.025 20 0 EEADMM COc1ccccc1OCCSc1cccnc1-c1nnn[n-]1 ZINC001591652236 1349526486 /nfs/dbraw/zinc/52/64/86/1349526486.db2.gz HTHBPQBHUMGPNE-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM COc1ccccc1OCCSc1cccnc1-c1nn[n-]n1 ZINC001591652236 1349526490 /nfs/dbraw/zinc/52/64/90/1349526490.db2.gz HTHBPQBHUMGPNE-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592264271 1349614865 /nfs/dbraw/zinc/61/48/65/1349614865.db2.gz QNBREDJVHRIYRE-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592264271 1349614870 /nfs/dbraw/zinc/61/48/70/1349614870.db2.gz QNBREDJVHRIYRE-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001592429016 1349630816 /nfs/dbraw/zinc/63/08/16/1349630816.db2.gz DGLJFCDMQVGYHX-UHFFFAOYSA-N -1 1 341.423 2.474 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592429016 1349630817 /nfs/dbraw/zinc/63/08/17/1349630817.db2.gz DGLJFCDMQVGYHX-UHFFFAOYSA-N -1 1 341.423 2.474 20 0 EEADMM Cc1nsc(NC(=O)C[C@H]2CCC(C)(C)CO2)c1-c1nnn[n-]1 ZINC001592478998 1349635405 /nfs/dbraw/zinc/63/54/05/1349635405.db2.gz JNWXTMUXMOVNHX-SECBINFHSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1nsc(NC(=O)C[C@H]2CCC(C)(C)CO2)c1-c1nn[n-]n1 ZINC001592478998 1349635409 /nfs/dbraw/zinc/63/54/09/1349635409.db2.gz JNWXTMUXMOVNHX-SECBINFHSA-N -1 1 336.421 2.165 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC001592502054 1349638144 /nfs/dbraw/zinc/63/81/44/1349638144.db2.gz KPADKZBPFYTQEE-SNVBAGLBSA-N -1 1 333.417 2.316 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCSC2(CCC2)C1 ZINC001592502054 1349638146 /nfs/dbraw/zinc/63/81/46/1349638146.db2.gz KPADKZBPFYTQEE-SNVBAGLBSA-N -1 1 333.417 2.316 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1ccc(F)cc1F ZINC001592501847 1349638334 /nfs/dbraw/zinc/63/83/34/1349638334.db2.gz NZHLZNGJZNDOQP-UHFFFAOYSA-N -1 1 348.265 2.086 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1ccc(F)cc1F ZINC001592501847 1349638340 /nfs/dbraw/zinc/63/83/40/1349638340.db2.gz NZHLZNGJZNDOQP-UHFFFAOYSA-N -1 1 348.265 2.086 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC001592503893 1349640158 /nfs/dbraw/zinc/64/01/58/1349640158.db2.gz ZKWUJGFDXNJBNA-XPTSAGLGSA-N -1 1 325.328 2.020 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC001592503893 1349640159 /nfs/dbraw/zinc/64/01/59/1349640159.db2.gz ZKWUJGFDXNJBNA-XPTSAGLGSA-N -1 1 325.328 2.020 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(C)(C)F ZINC001592504408 1349642539 /nfs/dbraw/zinc/64/25/39/1349642539.db2.gz JKLSDXMYNWKLOQ-UHFFFAOYSA-N -1 1 346.366 2.427 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(C)(C)F ZINC001592504408 1349642540 /nfs/dbraw/zinc/64/25/40/1349642540.db2.gz JKLSDXMYNWKLOQ-UHFFFAOYSA-N -1 1 346.366 2.427 20 0 EEADMM Clc1cccc([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534149 1349650399 /nfs/dbraw/zinc/65/03/99/1349650399.db2.gz CXXGDRRVHDFQKH-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1nsc(NCc2cnn3c2CCCC3)c1-c1nnn[n-]1 ZINC001592541892 1349653902 /nfs/dbraw/zinc/65/39/02/1349653902.db2.gz UOBIWOGUJHAFPX-UHFFFAOYSA-N -1 1 336.812 2.122 20 0 EEADMM Clc1nsc(NCc2cnn3c2CCCC3)c1-c1nn[n-]n1 ZINC001592541892 1349653906 /nfs/dbraw/zinc/65/39/06/1349653906.db2.gz UOBIWOGUJHAFPX-UHFFFAOYSA-N -1 1 336.812 2.122 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCCCCC1 ZINC001592543281 1349655035 /nfs/dbraw/zinc/65/50/35/1349655035.db2.gz PKAUJWILHTYVFU-UHFFFAOYSA-N -1 1 328.380 2.026 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCCCCC1 ZINC001592543281 1349655036 /nfs/dbraw/zinc/65/50/36/1349655036.db2.gz PKAUJWILHTYVFU-UHFFFAOYSA-N -1 1 328.380 2.026 20 0 EEADMM FC(F)(F)Cn1ccnc1CSc1cccnc1-c1nnn[n-]1 ZINC001592616615 1349673448 /nfs/dbraw/zinc/67/34/48/1349673448.db2.gz TUQDHIFUWRQMJN-UHFFFAOYSA-N -1 1 341.322 2.313 20 0 EEADMM FC(F)(F)Cn1ccnc1CSc1cccnc1-c1nn[n-]n1 ZINC001592616615 1349673450 /nfs/dbraw/zinc/67/34/50/1349673450.db2.gz TUQDHIFUWRQMJN-UHFFFAOYSA-N -1 1 341.322 2.313 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592950110 1349729728 /nfs/dbraw/zinc/72/97/28/1349729728.db2.gz SSLJRCJFKSCGCX-DGCLKSJQSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(NCc1ccccc1F)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593145109 1349742671 /nfs/dbraw/zinc/74/26/71/1349742671.db2.gz HGISYEWHSNTUBU-UHFFFAOYSA-N -1 1 336.330 2.417 20 0 EEADMM O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593205120 1349745974 /nfs/dbraw/zinc/74/59/74/1349745974.db2.gz DOTNFXBEHAARII-UHFFFAOYSA-N -1 1 339.363 2.286 20 0 EEADMM O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593205120 1349745977 /nfs/dbraw/zinc/74/59/77/1349745977.db2.gz DOTNFXBEHAARII-UHFFFAOYSA-N -1 1 339.363 2.286 20 0 EEADMM O=C(Nc1cccc(F)c1[O-])c1c[nH]c2cccc(-c3nn[nH]n3)c12 ZINC001593248997 1349750409 /nfs/dbraw/zinc/75/04/09/1349750409.db2.gz DLVULDCBGRPWQX-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM O=C(OCCCSC(F)(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593289054 1349766194 /nfs/dbraw/zinc/76/61/94/1349766194.db2.gz FMBVTAXRCSCTKD-UHFFFAOYSA-N -1 1 333.295 2.062 20 0 EEADMM O=C(OCCCSC(F)(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593289054 1349766192 /nfs/dbraw/zinc/76/61/92/1349766192.db2.gz FMBVTAXRCSCTKD-UHFFFAOYSA-N -1 1 333.295 2.062 20 0 EEADMM O=C(OCCOc1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001593291071 1349767242 /nfs/dbraw/zinc/76/72/42/1349767242.db2.gz VJFLKRHHECZIFK-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(OCCOc1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001593291071 1349767244 /nfs/dbraw/zinc/76/72/44/1349767244.db2.gz VJFLKRHHECZIFK-UHFFFAOYSA-N -1 1 346.293 2.381 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1([C@@H]2CCCCO2)CCC1 ZINC001593297924 1349771923 /nfs/dbraw/zinc/77/19/23/1349771923.db2.gz RRLZBLFOQXGHPI-ZDUSSCGKSA-N -1 1 332.360 2.242 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1([C@@H]2CCCCO2)CCC1 ZINC001593297924 1349771926 /nfs/dbraw/zinc/77/19/26/1349771926.db2.gz RRLZBLFOQXGHPI-ZDUSSCGKSA-N -1 1 332.360 2.242 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC(C2CC2)CC1 ZINC001593329348 1349782627 /nfs/dbraw/zinc/78/26/27/1349782627.db2.gz LMUKYANOJVELFF-UHFFFAOYSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC(C2CC2)CC1 ZINC001593329348 1349782631 /nfs/dbraw/zinc/78/26/31/1349782631.db2.gz LMUKYANOJVELFF-UHFFFAOYSA-N -1 1 333.342 2.407 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001593337998 1349783281 /nfs/dbraw/zinc/78/32/81/1349783281.db2.gz DILODCAVUPLDIN-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001593337998 1349783284 /nfs/dbraw/zinc/78/32/84/1349783284.db2.gz DILODCAVUPLDIN-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001593362565 1349790724 /nfs/dbraw/zinc/79/07/24/1349790724.db2.gz UOSUAAIKYJZKED-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001593362565 1349790727 /nfs/dbraw/zinc/79/07/27/1349790727.db2.gz UOSUAAIKYJZKED-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC(OC2CCC2)CC1 ZINC001593362109 1349790750 /nfs/dbraw/zinc/79/07/50/1349790750.db2.gz GUIMTTAFMNMEOW-UHFFFAOYSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC(OC2CCC2)CC1 ZINC001593362109 1349790754 /nfs/dbraw/zinc/79/07/54/1349790754.db2.gz GUIMTTAFMNMEOW-UHFFFAOYSA-N -1 1 333.417 2.102 20 0 EEADMM O=C1N(c2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC12CC2 ZINC001593401809 1349797264 /nfs/dbraw/zinc/79/72/64/1349797264.db2.gz QAFNJTFAGDISOY-AWEZNQCLSA-N -1 1 338.396 2.096 20 0 EEADMM O=c1c(-c2nnn[n-]2)cccn1CN(CC1CCCCC1)C1CC1 ZINC001593492833 1349818069 /nfs/dbraw/zinc/81/80/69/1349818069.db2.gz PUQPSULJIJAZBJ-UHFFFAOYSA-N -1 1 328.420 2.031 20 0 EEADMM c1ccc2c(c1)CN(c1ccnc(-c3nnn[n-]3)c1)C[C@@H]1CCCN21 ZINC001593580600 1349861953 /nfs/dbraw/zinc/86/19/53/1349861953.db2.gz NUNMMKWSJKUAOA-HNNXBMFYSA-N -1 1 333.399 2.251 20 0 EEADMM c1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)c1)C[C@@H]1CCCN21 ZINC001593580600 1349861958 /nfs/dbraw/zinc/86/19/58/1349861958.db2.gz NUNMMKWSJKUAOA-HNNXBMFYSA-N -1 1 333.399 2.251 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCC(=O)Nc2ccc(F)c(F)c2)n1C ZINC001599994396 1349951445 /nfs/dbraw/zinc/95/14/45/1349951445.db2.gz LQRAZNXSJPQMDN-UHFFFAOYSA-N -1 1 337.326 2.038 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2ccc(Br)cn2)n1C ZINC001599993651 1349951482 /nfs/dbraw/zinc/95/14/82/1349951482.db2.gz BFWPHFCTYDMEEM-UHFFFAOYSA-N -1 1 338.205 2.479 20 0 EEADMM Cc1cc(C)c(C(=O)NC2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)o1 ZINC001600150631 1349980790 /nfs/dbraw/zinc/98/07/90/1349980790.db2.gz CESQETIXOHBCSW-UHFFFAOYSA-N -1 1 345.399 2.317 20 0 EEADMM Cc1cc(CNc2ccc(N3CCN(C)CC3)nc2)ccc1C(=O)[O-] ZINC001600211431 1349994092 /nfs/dbraw/zinc/99/40/92/1349994092.db2.gz QHLBQVHOWPNIFW-UHFFFAOYSA-N -1 1 340.427 2.452 20 0 EEADMM Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1 ZINC001600447686 1350054089 /nfs/dbraw/zinc/05/40/89/1350054089.db2.gz SDZAXUITVIMOSY-UAGQMJEPSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1ccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1C ZINC001600458231 1350057052 /nfs/dbraw/zinc/05/70/52/1350057052.db2.gz FCOIPWULLIEVNP-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@@](C)(N)c2ccccc2)C(=O)[O-])c1 ZINC001600526583 1350073413 /nfs/dbraw/zinc/07/34/13/1350073413.db2.gz AQPMVJHOOBWUQY-JXFKEZNVSA-N -1 1 340.423 2.229 20 0 EEADMM Cc1cccc2c(=O)c(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)c[nH]c12 ZINC001600555154 1350081225 /nfs/dbraw/zinc/08/12/25/1350081225.db2.gz VEQGSXBQFLLULT-GFCCVEGCSA-N -1 1 328.368 2.067 20 0 EEADMM Cc1ccccc1C1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCCC1 ZINC001600573756 1350086816 /nfs/dbraw/zinc/08/68/16/1350086816.db2.gz LPEZWKNBSNVTTA-INIZCTEOSA-N -1 1 341.411 2.342 20 0 EEADMM Cc1nn(-c2ccccc2)c(Cl)c1CN1CCN(CC(=O)[O-])CC1 ZINC001600762658 1350130330 /nfs/dbraw/zinc/13/03/30/1350130330.db2.gz YEMHNOYZUODTPS-UHFFFAOYSA-N -1 1 348.834 2.036 20 0 EEADMM Cc1noc(C(C)C)c1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001600804937 1350140484 /nfs/dbraw/zinc/14/04/84/1350140484.db2.gz DJVQCUAZIDEMAP-NSHDSACASA-N -1 1 338.408 2.119 20 0 EEADMM Nc1cc(CCCCNC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccn1 ZINC001601211984 1350232178 /nfs/dbraw/zinc/23/21/78/1350232178.db2.gz BCXSAYPVLMILPI-ALCCZGGFSA-N -1 1 329.356 2.107 20 0 EEADMM O=C([O-])c1ccc(F)c2c1CN(CCC(=O)Nc1cccnc1)CC2 ZINC001601276858 1350246814 /nfs/dbraw/zinc/24/68/14/1350246814.db2.gz NULPIDZCUVSZFC-UHFFFAOYSA-N -1 1 343.358 2.306 20 0 EEADMM O=C([O-])[C@@H](CC(F)F)NC(=O)C(F)(F)c1c(F)cccc1F ZINC001601639865 1350325805 /nfs/dbraw/zinc/32/58/05/1350325805.db2.gz DNTJIKKRXNJFHH-SSDOTTSWSA-N -1 1 329.196 2.281 20 0 EEADMM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)C[C@H]1c1ccccc1 ZINC001601702317 1350342638 /nfs/dbraw/zinc/34/26/38/1350342638.db2.gz LFNNRCSGKVBOQA-SGTLLEGYSA-N -1 1 349.350 2.064 20 0 EEADMM O=C([O-])[C@@]1(N2CCN([C@H]3CCCc4ccc(F)cc43)CC2)CCOC1 ZINC001601718167 1350347654 /nfs/dbraw/zinc/34/76/54/1350347654.db2.gz CZTGLHSWHQPMAT-PKOBYXMFSA-N -1 1 348.418 2.064 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc(Cl)c1F)C[C@H]2C(=O)[O-] ZINC001601780081 1350363252 /nfs/dbraw/zinc/36/32/52/1350363252.db2.gz JCZRXRIKPOXPHS-CSJGVYOVSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])[C@H]1CCC[C@@H]1NCc1nc2ccccn2c1Br ZINC001601809955 1350369540 /nfs/dbraw/zinc/36/95/40/1350369540.db2.gz URNLIKQNWILFLA-UWVGGRQHSA-N -1 1 338.205 2.440 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1Cc1ccc2c(c1)COC2 ZINC001601864177 1350384795 /nfs/dbraw/zinc/38/47/95/1350384795.db2.gz NRMIUDXUDTZDTL-SFHVURJKSA-N -1 1 325.364 2.434 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1ccc(OCC2CC2)nc1 ZINC001602309330 1350490370 /nfs/dbraw/zinc/49/03/70/1350490370.db2.gz UPZJESPBIQUSBB-CQSZACIVSA-N -1 1 342.399 2.390 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)Nc2cncc(Cl)c2Cl)c1 ZINC001602559319 1350545953 /nfs/dbraw/zinc/54/59/53/1350545953.db2.gz KTBNAFAXEYSADX-UHFFFAOYSA-N -1 1 337.140 2.480 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(F)c2O)C1 ZINC001602626725 1350560933 /nfs/dbraw/zinc/56/09/33/1350560933.db2.gz MFGSKLFDIJLMCD-GOSISDBHSA-N -1 1 329.327 2.400 20 0 EEADMM CC(C)(C)[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001603068040 1350632130 /nfs/dbraw/zinc/63/21/30/1350632130.db2.gz WSPWKSHFSCSRDI-ZETCQYMHSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)(C)[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001603068040 1350632136 /nfs/dbraw/zinc/63/21/36/1350632136.db2.gz WSPWKSHFSCSRDI-ZETCQYMHSA-N -1 1 328.829 2.228 20 0 EEADMM CC(=O)Nc1cccc2c1CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)C2 ZINC001603082332 1350636463 /nfs/dbraw/zinc/63/64/63/1350636463.db2.gz HWFYJAMFNYBOKW-CQSZACIVSA-N -1 1 330.384 2.151 20 0 EEADMM CC(C)(C)OC(=O)CCC(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001603082531 1350636569 /nfs/dbraw/zinc/63/65/69/1350636569.db2.gz JHEYXMJDVSGDLV-UHFFFAOYSA-N -1 1 338.389 2.093 20 0 EEADMM C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCSC[C@H](C(=O)[O-])C1 ZINC001603181235 1350657242 /nfs/dbraw/zinc/65/72/42/1350657242.db2.gz QGILMDHRUCWSAO-GHMZBOCLSA-N -1 1 342.848 2.417 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001603344930 1350691248 /nfs/dbraw/zinc/69/12/48/1350691248.db2.gz WUHYIHSNYRUXIR-HIFRSBDPSA-N -1 1 336.407 2.058 20 0 EEADMM CC(C)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001603399251 1350700692 /nfs/dbraw/zinc/70/06/92/1350700692.db2.gz XUWDQLHYGOEYJI-UHFFFAOYSA-N -1 1 334.357 2.351 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001603421241 1350703350 /nfs/dbraw/zinc/70/33/50/1350703350.db2.gz PHLGWFKGBSQLPH-ZETCQYMHSA-N -1 1 334.361 2.353 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001603421241 1350703355 /nfs/dbraw/zinc/70/33/55/1350703355.db2.gz PHLGWFKGBSQLPH-ZETCQYMHSA-N -1 1 334.361 2.353 20 0 EEADMM C[C@@H](C[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603570287 1350722254 /nfs/dbraw/zinc/72/22/54/1350722254.db2.gz BVKUQULFGKKDKW-DAOPMYJZSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@@H](C[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603570287 1350722258 /nfs/dbraw/zinc/72/22/58/1350722258.db2.gz BVKUQULFGKKDKW-DAOPMYJZSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001603580086 1350723461 /nfs/dbraw/zinc/72/34/61/1350723461.db2.gz ZMXSAOVYLVXBNL-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001603580086 1350723466 /nfs/dbraw/zinc/72/34/66/1350723466.db2.gz ZMXSAOVYLVXBNL-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccnc(-c2nnn[n-]2)c1 ZINC001603726314 1350751456 /nfs/dbraw/zinc/75/14/56/1350751456.db2.gz GLOOQQCROLXIBP-LBPRGKRZSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ccnc(-c2nn[n-]n2)c1 ZINC001603726314 1350751459 /nfs/dbraw/zinc/75/14/59/1350751459.db2.gz GLOOQQCROLXIBP-LBPRGKRZSA-N -1 1 347.386 2.040 20 0 EEADMM CC1(C)[C@@H]2CN(c3cc(Br)cnc3-c3nnn[n-]3)C[C@@H]21 ZINC001603758708 1350759945 /nfs/dbraw/zinc/75/99/45/1350759945.db2.gz VUMBVUWJYVXSGU-DTORHVGOSA-N -1 1 335.209 2.116 20 0 EEADMM CC1(C)[C@@H]2CN(c3cc(Br)cnc3-c3nn[n-]n3)C[C@@H]21 ZINC001603758708 1350759950 /nfs/dbraw/zinc/75/99/50/1350759950.db2.gz VUMBVUWJYVXSGU-DTORHVGOSA-N -1 1 335.209 2.116 20 0 EEADMM CC1(C)CCC(O)(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001603771822 1350763075 /nfs/dbraw/zinc/76/30/75/1350763075.db2.gz DXTXXIKHTUBAIB-UHFFFAOYSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)CCC(O)(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001603771822 1350763083 /nfs/dbraw/zinc/76/30/83/1350763083.db2.gz DXTXXIKHTUBAIB-UHFFFAOYSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)CCC[C@@](O)(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1 ZINC001603773983 1350764462 /nfs/dbraw/zinc/76/44/62/1350764462.db2.gz KUFHHPZHDIRAGQ-KRWDZBQOSA-N -1 1 343.435 2.277 20 0 EEADMM CC1(C)CCC[C@@](O)(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1 ZINC001603773983 1350764465 /nfs/dbraw/zinc/76/44/65/1350764465.db2.gz KUFHHPZHDIRAGQ-KRWDZBQOSA-N -1 1 343.435 2.277 20 0 EEADMM CC1(c2ccccc2C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603822156 1350776315 /nfs/dbraw/zinc/77/63/15/1350776315.db2.gz YVYYLFZSLZZDRA-UHFFFAOYSA-N -1 1 340.412 2.305 20 0 EEADMM CC1(c2ccccc2C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603822156 1350776318 /nfs/dbraw/zinc/77/63/18/1350776318.db2.gz YVYYLFZSLZZDRA-UHFFFAOYSA-N -1 1 340.412 2.305 20 0 EEADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001603845459 1350780945 /nfs/dbraw/zinc/78/09/45/1350780945.db2.gz PJZULMMQJGOPPN-JSGCOSHPSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001603845459 1350780951 /nfs/dbraw/zinc/78/09/51/1350780951.db2.gz PJZULMMQJGOPPN-JSGCOSHPSA-N -1 1 342.447 2.477 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ncc2C1 ZINC001603912294 1350801242 /nfs/dbraw/zinc/80/12/42/1350801242.db2.gz ADJRUDPPOUGZSF-MRVPVSSYSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ncc2C1 ZINC001603912294 1350801244 /nfs/dbraw/zinc/80/12/44/1350801244.db2.gz ADJRUDPPOUGZSF-MRVPVSSYSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2cccc(F)c2O1 ZINC001603932674 1350804585 /nfs/dbraw/zinc/80/45/85/1350804585.db2.gz XQARHULPZCUHDY-MRVPVSSYSA-N -1 1 329.291 2.027 20 0 EEADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC001603941403 1350809232 /nfs/dbraw/zinc/80/92/32/1350809232.db2.gz OHTQXHITPUQOIY-YGRLFVJLSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC001603941403 1350809236 /nfs/dbraw/zinc/80/92/36/1350809236.db2.gz OHTQXHITPUQOIY-YGRLFVJLSA-N -1 1 328.401 2.290 20 0 EEADMM CC[C@@](C)(CCCNc1ccnc(-c2nnn[n-]2)c1)C1OCCO1 ZINC001603986745 1350821455 /nfs/dbraw/zinc/82/14/55/1350821455.db2.gz IKOJUDPNNIVDOP-INIZCTEOSA-N -1 1 332.408 2.243 20 0 EEADMM CC[C@@](C)(CCCNc1ccnc(-c2nn[n-]n2)c1)C1OCCO1 ZINC001603986745 1350821461 /nfs/dbraw/zinc/82/14/61/1350821461.db2.gz IKOJUDPNNIVDOP-INIZCTEOSA-N -1 1 332.408 2.243 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001604041604 1350837326 /nfs/dbraw/zinc/83/73/26/1350837326.db2.gz FQQDBTIKHIBYGY-CYBMUJFWSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@H](Cc1ccccc1)C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001604041604 1350837329 /nfs/dbraw/zinc/83/73/29/1350837329.db2.gz FQQDBTIKHIBYGY-CYBMUJFWSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@H](CNc1ncncc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001604040725 1350837343 /nfs/dbraw/zinc/83/73/43/1350837343.db2.gz VSKYMKQPELEVRH-LLVKDONJSA-N -1 1 329.339 2.065 20 0 EEADMM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1O ZINC001604058747 1350842988 /nfs/dbraw/zinc/84/29/88/1350842988.db2.gz FXGHPHGNTJIOFC-GFNSNHMOSA-N -1 1 332.125 2.053 20 0 EEADMM C[C@](CC(=O)[O-])(NCc1[nH]nc2c1COCC2)c1cccc(F)c1 ZINC001604091546 1350853378 /nfs/dbraw/zinc/85/33/78/1350853378.db2.gz SLTDTEWYSWXACC-QGZVFWFLSA-N -1 1 333.363 2.101 20 0 EEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001604102929 1350858418 /nfs/dbraw/zinc/85/84/18/1350858418.db2.gz JPYZUYSUQNQCLZ-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001604102929 1350858420 /nfs/dbraw/zinc/85/84/20/1350858420.db2.gz JPYZUYSUQNQCLZ-SNVBAGLBSA-N -1 1 341.462 2.129 20 0 EEADMM CC/C=C\CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001604118945 1350864759 /nfs/dbraw/zinc/86/47/59/1350864759.db2.gz KLHJHSMDUJNMJN-WAYWQWQTSA-N -1 1 345.403 2.416 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604135422 1350869281 /nfs/dbraw/zinc/86/92/81/1350869281.db2.gz WGDVWUXIGRPEIE-PWSUYJOCSA-N -1 1 349.464 2.433 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604135422 1350869286 /nfs/dbraw/zinc/86/92/86/1350869286.db2.gz WGDVWUXIGRPEIE-PWSUYJOCSA-N -1 1 349.464 2.433 20 0 EEADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001604181193 1350886425 /nfs/dbraw/zinc/88/64/25/1350886425.db2.gz PUAZUTYQVHWTOI-NSHDSACASA-N -1 1 325.409 2.068 20 0 EEADMM C[C@@H](Oc1ccccc1CNCc1cc(N(C)C)ccn1)C(=O)[O-] ZINC001604444729 1350939298 /nfs/dbraw/zinc/93/92/98/1350939298.db2.gz ZRKDNEWRJQXBPL-CYBMUJFWSA-N -1 1 329.400 2.289 20 0 EEADMM CCc1ccc(CCNC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001604523530 1350954472 /nfs/dbraw/zinc/95/44/72/1350954472.db2.gz PXYFLXWRDVZREA-UHFFFAOYSA-N -1 1 325.372 2.303 20 0 EEADMM CCc1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001604523530 1350954473 /nfs/dbraw/zinc/95/44/73/1350954473.db2.gz PXYFLXWRDVZREA-UHFFFAOYSA-N -1 1 325.372 2.303 20 0 EEADMM CCc1ccc2ccccc2c1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001604528915 1350955412 /nfs/dbraw/zinc/95/54/12/1350955412.db2.gz ODBPWZDOBXZEKZ-UHFFFAOYSA-N -1 1 331.383 2.406 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]2c2cccc(F)c2)n1 ZINC001604544674 1350958333 /nfs/dbraw/zinc/95/83/33/1350958333.db2.gz QTZYHWCNCNFKER-CYBMUJFWSA-N -1 1 325.351 2.310 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]2c2cccc(F)c2)n1 ZINC001604544674 1350958336 /nfs/dbraw/zinc/95/83/36/1350958336.db2.gz QTZYHWCNCNFKER-CYBMUJFWSA-N -1 1 325.351 2.310 20 0 EEADMM CC1(N2CCOCC2)CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001604589305 1350965961 /nfs/dbraw/zinc/96/59/61/1350965961.db2.gz MDDIZSDUGBBVJE-UHFFFAOYSA-N -1 1 347.415 2.103 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001604653626 1350977860 /nfs/dbraw/zinc/97/78/60/1350977860.db2.gz VPQRUJMVBOQKPC-DGCLKSJQSA-N -1 1 328.368 2.476 20 0 EEADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1CO ZINC001604757522 1350998225 /nfs/dbraw/zinc/99/82/25/1350998225.db2.gz UJCMVXMBSJMAHV-IUODEOHRSA-N -1 1 330.384 2.490 20 0 EEADMM CN(CCN(C)c1ccccc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001604761208 1350998635 /nfs/dbraw/zinc/99/86/35/1350998635.db2.gz NPLVPVHBFLPSGK-UHFFFAOYSA-N -1 1 342.428 2.137 20 0 EEADMM CN(CCN(C)c1ccccc1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001604761208 1350998638 /nfs/dbraw/zinc/99/86/38/1350998638.db2.gz NPLVPVHBFLPSGK-UHFFFAOYSA-N -1 1 342.428 2.137 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccc(F)c(Cl)c1 ZINC001604791467 1351005755 /nfs/dbraw/zinc/00/57/55/1351005755.db2.gz XGZHTADUUDYTSZ-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC001604975917 1351043651 /nfs/dbraw/zinc/04/36/51/1351043651.db2.gz GASAVKDIMOIXHC-IUCAKERBSA-N -1 1 349.391 2.478 20 0 EEADMM CC[C@H](NC[C@@H]1CC(C(=O)[O-])=C(C)O1)c1nnc2n1CCCCC2 ZINC001605097732 1351078272 /nfs/dbraw/zinc/07/82/72/1351078272.db2.gz ZSCKIQIGQAPASA-JSGCOSHPSA-N -1 1 334.420 2.193 20 0 EEADMM CC[C@H]1CCCCN1C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001605165665 1351092927 /nfs/dbraw/zinc/09/29/27/1351092927.db2.gz DAYNWVLFGJVJRF-KBXCAEBGSA-N -1 1 333.432 2.152 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001605179366 1351096845 /nfs/dbraw/zinc/09/68/45/1351096845.db2.gz QTCKFMJRUGOSLU-LBPRGKRZSA-N -1 1 340.449 2.108 20 0 EEADMM CCN1CC[C@@H]1CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001605476363 1351165982 /nfs/dbraw/zinc/16/59/82/1351165982.db2.gz ZIFFRDZSYRANNA-SECBINFHSA-N -1 1 329.759 2.393 20 0 EEADMM CCOC(=O)N1CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)CC1 ZINC001605550005 1351188430 /nfs/dbraw/zinc/18/84/30/1351188430.db2.gz GYJTVEZNMAZSTF-UHFFFAOYSA-N -1 1 346.427 2.467 20 0 EEADMM CCO[C@H]1C[C@@](NC(=O)c2[nH]nc3c2CCCCC3)(C(=O)[O-])C1(C)C ZINC001605609325 1351200523 /nfs/dbraw/zinc/20/05/23/1351200523.db2.gz WGOGWOKZWIXMMO-SCLBCKFNSA-N -1 1 349.431 2.067 20 0 EEADMM CCOc1c(Cl)cccc1CN1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001605653128 1351211033 /nfs/dbraw/zinc/21/10/33/1351211033.db2.gz NZGRLZUNENLXLB-RYUDHWBXSA-N -1 1 341.791 2.044 20 0 EEADMM Cc1cc(NC[C@@](C)(O)c2ccc(F)cc2)cc(-c2nnn[n-]2)n1 ZINC001605726018 1351219324 /nfs/dbraw/zinc/21/93/24/1351219324.db2.gz FXGUSOGBSIRASL-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1cc(NC[C@@](C)(O)c2ccc(F)cc2)cc(-c2nn[n-]n2)n1 ZINC001605726018 1351219326 /nfs/dbraw/zinc/21/93/26/1351219326.db2.gz FXGUSOGBSIRASL-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM CCc1[nH]c(CNCC(=O)N2CCCc3ccccc32)cc1C(=O)[O-] ZINC001605773581 1351222107 /nfs/dbraw/zinc/22/21/07/1351222107.db2.gz GFGZQYOTIOTKAQ-UHFFFAOYSA-N -1 1 341.411 2.344 20 0 EEADMM Cc1ccc(CN(C)C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001605843049 1351233964 /nfs/dbraw/zinc/23/39/64/1351233964.db2.gz IIIDCGKLHIOJAQ-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Cc1ccc(CN(C)C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001605843049 1351233966 /nfs/dbraw/zinc/23/39/66/1351233966.db2.gz IIIDCGKLHIOJAQ-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Cc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1-c1ncco1 ZINC001605871885 1351242430 /nfs/dbraw/zinc/24/24/30/1351242430.db2.gz LZOLGCBBRALUKN-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1-c1ncco1 ZINC001605871885 1351242432 /nfs/dbraw/zinc/24/24/32/1351242432.db2.gz LZOLGCBBRALUKN-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cccc([C@@H](C)CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605907304 1351251187 /nfs/dbraw/zinc/25/11/87/1351251187.db2.gz XARIFCGXQNWMQK-ZDUSSCGKSA-N -1 1 336.399 2.033 20 0 EEADMM Cc1cccc([C@@H](C)CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605907304 1351251189 /nfs/dbraw/zinc/25/11/89/1351251189.db2.gz XARIFCGXQNWMQK-ZDUSSCGKSA-N -1 1 336.399 2.033 20 0 EEADMM CN(C)C1(CS(=O)(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CC1 ZINC001606012588 1351263481 /nfs/dbraw/zinc/26/34/81/1351263481.db2.gz GLUVIYQZFDWDSE-UHFFFAOYSA-N -1 1 349.408 2.341 20 0 EEADMM Cc1ncsc1CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001606104273 1351271583 /nfs/dbraw/zinc/27/15/83/1351271583.db2.gz JSRHTHFKJBFMAY-UHFFFAOYSA-N -1 1 327.826 2.378 20 0 EEADMM COC(=O)C[C@@](C)(NCc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC001606441621 1351302699 /nfs/dbraw/zinc/30/26/99/1351302699.db2.gz XLMUXJMKPXZGIH-GOSISDBHSA-N -1 1 328.368 2.348 20 0 EEADMM COC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC001606616501 1351332669 /nfs/dbraw/zinc/33/26/69/1351332669.db2.gz MQLYEQBFTNTVSH-HNNXBMFYSA-N -1 1 332.331 2.231 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001606704492 1351344358 /nfs/dbraw/zinc/34/43/58/1351344358.db2.gz GRGCXTZFBAIXEI-UHFFFAOYSA-N -1 1 329.282 2.312 20 0 EEADMM O=C(NCC1(C(F)(F)F)CCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001606704492 1351344363 /nfs/dbraw/zinc/34/43/63/1351344363.db2.gz GRGCXTZFBAIXEI-UHFFFAOYSA-N -1 1 329.282 2.312 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCc2c1cccc2F ZINC001606830665 1351363795 /nfs/dbraw/zinc/36/37/95/1351363795.db2.gz 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ZINC001606990530 1351394372 /nfs/dbraw/zinc/39/43/72/1351394372.db2.gz HRCPLFLWSPDLMR-UHFFFAOYSA-N -1 1 328.353 2.472 20 0 EEADMM O=C(c1ccc(F)s1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001607018245 1351398106 /nfs/dbraw/zinc/39/81/06/1351398106.db2.gz AOKMHMIHLLBVHA-UHFFFAOYSA-N -1 1 330.348 2.055 20 0 EEADMM O=C(c1ccc(F)s1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001607018245 1351398111 /nfs/dbraw/zinc/39/81/11/1351398111.db2.gz AOKMHMIHLLBVHA-UHFFFAOYSA-N -1 1 330.348 2.055 20 0 EEADMM OC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccsc1 ZINC001607101344 1351418833 /nfs/dbraw/zinc/41/88/33/1351418833.db2.gz HLDZDZGKGJAYMA-ZCFIWIBFSA-N -1 1 328.810 2.184 20 0 EEADMM OC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccsc1 ZINC001607101344 1351418835 /nfs/dbraw/zinc/41/88/35/1351418835.db2.gz HLDZDZGKGJAYMA-ZCFIWIBFSA-N -1 1 328.810 2.184 20 0 EEADMM c1ccc([C@H]2C[C@@H]3[C@@H](CCCN3c3ccc(-c4nnn[n-]4)nn3)O2)cc1 ZINC001607131330 1351433356 /nfs/dbraw/zinc/43/33/56/1351433356.db2.gz ZUAKXOOETGQTGM-BZUAXINKSA-N -1 1 349.398 2.156 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ZINC000081300373 1355388401 /nfs/dbraw/zinc/38/84/01/1355388401.db2.gz YZYMUQVDEQDWGX-UHFFFAOYSA-N -1 1 330.365 2.340 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)Cc1cccc(F)c1)c1cc2ccccc2o1 ZINC001669439301 1356159875 /nfs/dbraw/zinc/15/98/75/1356159875.db2.gz FKOIAHJAHAXTSO-HNNXBMFYSA-N -1 1 349.383 2.454 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(C)[nH]c1C ZINC001388576096 1387564927 /nfs/dbraw/zinc/56/49/27/1387564927.db2.gz DMQZLAPJQOLWBP-UHFFFAOYSA-N -1 1 344.415 2.014 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)C1(c2ccc3ncccc3c2)CC1 ZINC001186097604 1368188814 /nfs/dbraw/zinc/18/88/14/1368188814.db2.gz HJHPIDFGWDFMBW-UHFFFAOYSA-N -1 1 346.350 2.277 20 0 EEADMM Cc1cc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c(F)cc1F ZINC001186359858 1368196982 /nfs/dbraw/zinc/19/69/82/1368196982.db2.gz NTZXXZOIRJRSOD-UHFFFAOYSA-N -1 1 337.286 2.485 20 0 EEADMM Cc1nn(CC(C)C)c(C)c1C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001193867149 1368478863 /nfs/dbraw/zinc/47/88/63/1368478863.db2.gz FTSCLIPOYPSCPW-UHFFFAOYSA-N -1 1 334.336 2.007 20 0 EEADMM COc1cc(NC(=O)c2cc([O-])cnc2Cl)cc(-n2cncn2)c1 ZINC001195306220 1368516058 /nfs/dbraw/zinc/51/60/58/1368516058.db2.gz PRSRHKNQSSHQHQ-UHFFFAOYSA-N -1 1 345.746 2.282 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2c(C)cnn2C)c1 ZINC001195515139 1368548641 /nfs/dbraw/zinc/54/86/41/1368548641.db2.gz JLZVSOLTSYYKHK-UHFFFAOYSA-N -1 1 340.177 2.458 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)[C@H]1CC1(C)C ZINC000867414860 1368864688 /nfs/dbraw/zinc/86/46/88/1368864688.db2.gz DHPWGYSNVDKZCP-SFYZADRCSA-N -1 1 336.255 2.275 20 0 EEADMM CCC(CC)CC(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001488591562 1369016954 /nfs/dbraw/zinc/01/69/54/1369016954.db2.gz BSEXAJXADDLFQV-UHFFFAOYSA-N -1 1 333.432 2.333 20 0 EEADMM CCN(C(=O)Cc1ccsc1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001488913718 1369098734 /nfs/dbraw/zinc/09/87/34/1369098734.db2.gz LUONBCXACHVEBH-GFCCVEGCSA-N -1 1 347.440 2.058 20 0 EEADMM CC[C@@H](C)CC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001490037845 1369199053 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EEADMM COc1cccc(N2CCN(Cc3cc(F)c([O-])c(F)c3)CC2)n1 ZINC001140990475 1372730858 /nfs/dbraw/zinc/73/08/58/1372730858.db2.gz AXYALEWPBQBBMJ-UHFFFAOYSA-N -1 1 335.354 2.396 20 0 EEADMM O=C([N-]OCCC1CC1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000839777599 1372917377 /nfs/dbraw/zinc/91/73/77/1372917377.db2.gz KGPZDUQGKNXUAZ-OAHLLOKOSA-N -1 1 334.391 2.065 20 0 EEADMM COC(=O)c1ncoc1CCC(=O)Nc1cc([O-])c(F)cc1F ZINC001362515726 1373426778 /nfs/dbraw/zinc/42/67/78/1373426778.db2.gz OVZSBZWQUDBEQG-UHFFFAOYSA-N -1 1 326.255 2.016 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C(C)C)C2(CO)CCCC2)c(=O)[n-]1 ZINC001363467959 1373523441 /nfs/dbraw/zinc/52/34/41/1373523441.db2.gz ZPQNMLQHEDLZDE-LBPRGKRZSA-N -1 1 339.461 2.211 20 0 EEADMM CCC(C)(C)CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001371589021 1375518858 /nfs/dbraw/zinc/51/88/58/1375518858.db2.gz KORPOXFNRPDIND-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CCCc1nc(C)c(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001375030598 1377298502 /nfs/dbraw/zinc/29/85/02/1377298502.db2.gz FWOGLTSZYFWZCX-GFCCVEGCSA-N -1 1 346.431 2.286 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C1CCCC1 ZINC001375059497 1377327390 /nfs/dbraw/zinc/32/73/90/1377327390.db2.gz LMKJSRASIJTDKD-GXTWGEPZSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)[C@H](CNC(=O)c1cccc(F)c1)NC(=O)c1ncccc1[O-] ZINC001375932881 1378175318 /nfs/dbraw/zinc/17/53/18/1378175318.db2.gz GTISHDBAIYNOFC-AWEZNQCLSA-N -1 1 345.374 2.111 20 0 EEADMM CCc1nc(CN(CC)CCNC(=O)c2ncccc2[O-])cs1 ZINC001377296140 1379112603 /nfs/dbraw/zinc/11/26/03/1379112603.db2.gz LIKABTGPPSSKNL-UHFFFAOYSA-N -1 1 334.445 2.058 20 0 EEADMM CC(C)CCC(=O)N[C@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@H]1C ZINC001378432270 1379952774 /nfs/dbraw/zinc/95/27/74/1379952774.db2.gz ZETUYUDQMLUFJC-DYVFJYSZSA-N -1 1 337.468 2.101 20 0 EEADMM CCCC[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001378446073 1379974331 /nfs/dbraw/zinc/97/43/31/1379974331.db2.gz TVQOOIXQRKWRIL-MGPQQGTHSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)CCC(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001383523240 1382530284 /nfs/dbraw/zinc/53/02/84/1382530284.db2.gz TUFLEWQSNVBVFK-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1ccccc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001386666506 1386248893 /nfs/dbraw/zinc/24/88/93/1386248893.db2.gz AQANLMYBHXAQCD-CYBMUJFWSA-N -1 1 327.384 2.034 20 0 EEADMM Cc1cc(C)c(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001386685615 1386258235 /nfs/dbraw/zinc/25/82/35/1386258235.db2.gz BKHSPOYHIXLSQW-LLVKDONJSA-N -1 1 347.440 2.404 20 0 EEADMM CCc1ccsc1C(=O)NCCN(CC)C(=O)c1ncccc1[O-] ZINC001387228225 1386581821 /nfs/dbraw/zinc/58/18/21/1386581821.db2.gz BTTOKCSLOSLJFN-UHFFFAOYSA-N -1 1 347.440 2.303 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001387444143 1386738693 /nfs/dbraw/zinc/73/86/93/1386738693.db2.gz XWAYYNCTPMYQAE-PXAZEXFGSA-N -1 1 339.411 2.330 20 0 EEADMM CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387560804 1386842086 /nfs/dbraw/zinc/84/20/86/1386842086.db2.gz VDBBJGVALHZXPO-CQSZACIVSA-N -1 1 333.432 2.431 20 0 EEADMM CC(C)c1ccoc1C(=O)NCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001387573687 1386854681 /nfs/dbraw/zinc/85/46/81/1386854681.db2.gz TYNQGXPCYPKZGQ-GFCCVEGCSA-N -1 1 345.399 2.442 20 0 EEADMM CC(C)(C)CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001387952747 1387106911 /nfs/dbraw/zinc/10/69/11/1387106911.db2.gz CTBCRTMGCGBUBX-STQMWFEESA-N -1 1 331.416 2.039 20 0 EEADMM C[C@@]1(CNC(=O)C2=CCCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001394526270 1390721376 /nfs/dbraw/zinc/72/13/76/1390721376.db2.gz NESVHVNKXKBIAA-IBGZPJMESA-N -1 1 343.427 2.256 20 0 EEADMM O=C(CCC1CCC1)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001395944847 1390884872 /nfs/dbraw/zinc/88/48/72/1390884872.db2.gz FYYGHECGWOAAHE-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM CCc1[nH]ccc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001396267896 1390931287 /nfs/dbraw/zinc/93/12/87/1390931287.db2.gz YUVZNXMAIBQYIN-VXGBXAGGSA-N -1 1 344.415 2.005 20 0 EEADMM CCCC[C@@H](C)C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397905009 1391544410 /nfs/dbraw/zinc/54/44/10/1391544410.db2.gz CUCNSFRDQAYARD-GFCCVEGCSA-N -1 1 348.447 2.074 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001398169411 1391766621 /nfs/dbraw/zinc/76/66/21/1391766621.db2.gz IXHYIHPDKQQXNP-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(NCCN(C(=O)c1ncccc1[O-])C1CC1)c1ccc(Cl)o1 ZINC001398291492 1392135928 /nfs/dbraw/zinc/13/59/28/1392135928.db2.gz KXCYGJPZRTXPIR-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM Cc1cc(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)c(C)o1 ZINC001398313070 1392163610 /nfs/dbraw/zinc/16/36/10/1392163610.db2.gz RUMGHQDBYIBJHS-UHFFFAOYSA-N -1 1 343.383 2.032 20 0 EEADMM CCC(CC)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001399135753 1394738429 /nfs/dbraw/zinc/73/84/29/1394738429.db2.gz SUMPKDKQFTXVEG-UHFFFAOYSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])sc1C ZINC001399342532 1394989575 /nfs/dbraw/zinc/98/95/75/1394989575.db2.gz DXRHPRKMGVKBCL-SNVBAGLBSA-N -1 1 347.440 2.261 20 0 EEADMM CC[C@@H](CC(=O)NCC1(NC(=O)c2ncccc2[O-])CC1)C(C)C ZINC001400634554 1396486200 /nfs/dbraw/zinc/48/62/00/1396486200.db2.gz NONAXPPIENJPPZ-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427439359 1402417205 /nfs/dbraw/zinc/41/72/05/1402417205.db2.gz CILSSPYKHXPHMG-CHWSQXEVSA-N -1 1 333.432 2.142 20 0 EEADMM O=C(CC1CCCC1)NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001428331270 1402676271 /nfs/dbraw/zinc/67/62/71/1402676271.db2.gz IROSWMPBWYBLCU-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)[C@H]1C[C@@H](O)C1 ZINC001433610130 1403413866 /nfs/dbraw/zinc/41/38/66/1403413866.db2.gz APFWPOSGJAZORH-JNSHFYNHSA-N -1 1 346.408 2.197 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H](C)Oc2cccc(F)c2)c(=O)[n-]1 ZINC001433807811 1403434531 /nfs/dbraw/zinc/43/45/31/1403434531.db2.gz SVELXOIKUMIWTM-SECBINFHSA-N -1 1 337.376 2.241 20 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/nfs/dbraw/zinc/62/36/94/1403623694.db2.gz LOPQLZHIGVKTMH-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001577110349 1403623697 /nfs/dbraw/zinc/62/36/97/1403623697.db2.gz LOPQLZHIGVKTMH-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM CCCCC1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001577498978 1403658800 /nfs/dbraw/zinc/65/88/00/1403658800.db2.gz ABHHLIAERUHJRL-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CCCCC1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001577498978 1403658802 /nfs/dbraw/zinc/65/88/02/1403658802.db2.gz ABHHLIAERUHJRL-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM CC[C@@H](NC(=O)Nc1snc(C)c1-c1nnn[n-]1)C(F)(F)F ZINC001578423170 1403752154 /nfs/dbraw/zinc/75/21/54/1403752154.db2.gz KYHPTRNHJADJKG-RXMQYKEDSA-N -1 1 335.315 2.094 20 0 EEADMM CC[C@@H](NC(=O)Nc1snc(C)c1-c1nn[n-]n1)C(F)(F)F ZINC001578423170 1403752163 /nfs/dbraw/zinc/75/21/63/1403752163.db2.gz KYHPTRNHJADJKG-RXMQYKEDSA-N -1 1 335.315 2.094 20 0 EEADMM COc1ncc(NC(=O)NC[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580136954 1403833912 /nfs/dbraw/zinc/83/39/12/1403833912.db2.gz UZIDQIQFIFBULX-WDEREUQCSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2c(Cl)cncc2Cl)c1 ZINC001580608888 1403862764 /nfs/dbraw/zinc/86/27/64/1403862764.db2.gz MIQYCZKSKUIJCF-UHFFFAOYSA-N -1 1 337.170 2.087 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001581208305 1403878246 /nfs/dbraw/zinc/87/82/46/1403878246.db2.gz SEVBYACVGFXBKW-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccc(NC(=O)COC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001581208305 1403878253 /nfs/dbraw/zinc/87/82/53/1403878253.db2.gz SEVBYACVGFXBKW-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM COCCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H](C)C1 ZINC001591420818 1403911239 /nfs/dbraw/zinc/91/12/39/1403911239.db2.gz HMHRTVAHBNACKT-ZYHUDNBSSA-N -1 1 335.433 2.205 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001591777350 1403944950 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O=C(N[C@@H]1CCSC2(CCC2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001592995249 1404730893 /nfs/dbraw/zinc/73/08/93/1404730893.db2.gz GQRIPTZHTBGOGK-SNVBAGLBSA-N -1 1 335.458 2.476 20 0 EEADMM O=C(NC[C@H]1CCC2(CCCC2)O1)c1csc(-c2nn[n-]n2)c1 ZINC001593030813 1404736537 /nfs/dbraw/zinc/73/65/37/1404736537.db2.gz XHCJHKXAMFIXCI-LLVKDONJSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCCOc1ccc(Cl)cc1)c1csc(-c2nn[n-]n2)c1 ZINC001593097616 1404741389 /nfs/dbraw/zinc/74/13/89/1404741389.db2.gz BCUIGPKVURVNOG-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM Cc1nsc(NCCNC(=O)C2CCCCCC2)c1-c1nn[n-]n1 ZINC001606161128 1404771239 /nfs/dbraw/zinc/77/12/39/1404771239.db2.gz JBQOJNPELMQIAG-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCCOC2)c1 ZINC001606293410 1404779741 /nfs/dbraw/zinc/77/97/41/1404779741.db2.gz OMZQVZZJYCZZFP-QMMMGPOBSA-N -1 1 328.298 2.119 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCCOC2)c1 ZINC001606293410 1404779745 /nfs/dbraw/zinc/77/97/45/1404779745.db2.gz OMZQVZZJYCZZFP-QMMMGPOBSA-N -1 1 328.298 2.119 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2ccc(OC)cc2Cl)[C@H](C(=O)[O-])C1 ZINC001606414388 1404809157 /nfs/dbraw/zinc/80/91/57/1404809157.db2.gz QKZYPQSCOAKZNS-YGRLFVJLSA-N -1 1 341.791 2.187 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccccc1Sc1ncccn1 ZINC001644351528 1404818570 /nfs/dbraw/zinc/81/85/70/1404818570.db2.gz QMPPRVTYGKHDSR-UHFFFAOYSA-N -1 1 341.400 2.102 20 0 EEADMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)s1 ZINC000122469697 1404924241 /nfs/dbraw/zinc/92/42/41/1404924241.db2.gz DRBDVZFBLICRNC-UHFFFAOYSA-N -1 1 327.818 2.455 20 0 EEADMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000263980857 1405829357 /nfs/dbraw/zinc/82/93/57/1405829357.db2.gz BFBMHFHDBFSSII-QMMMGPOBSA-N -1 1 347.341 2.189 20 0 EEADMM C/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001756821906 1409369833 /nfs/dbraw/zinc/36/98/33/1409369833.db2.gz UEJZZFFDZQTXOT-VDUSXYPOSA-N -1 1 346.431 2.039 20 0 EEADMM CCc1nc(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(N(C)C)n3)C2)cs1 ZINC000864328538 1410461018 /nfs/dbraw/zinc/46/10/18/1410461018.db2.gz IEHQENMJCWVDAB-LLVKDONJSA-N -1 1 333.461 2.257 20 0 EEADMM C[C@@H]1CCN(C(=O)CCC2CCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087113926 757446113 /nfs/dbraw/zinc/44/61/13/757446113.db2.gz PFERIQWULNHLNP-HIFRSBDPSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001087238768 760989295 /nfs/dbraw/zinc/98/92/95/760989295.db2.gz SJXVTJUFDKCYIN-TUVASFSCSA-N -1 1 349.479 2.053 20 0 EEADMM CN(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccsc1 ZINC000780385817 761727321 /nfs/dbraw/zinc/72/73/21/761727321.db2.gz SMYGZYAAWUKYCH-LSDHHAIUSA-N -1 1 347.440 2.476 20 0 EEADMM Cc1nsc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125857931 764988967 /nfs/dbraw/zinc/98/89/67/764988967.db2.gz QPRANNXJHXLKKT-NSHDSACASA-N -1 1 335.433 2.204 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2C)c1[O-] ZINC001027832459 773227676 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COC[C@H](C)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000354302928 522625310 /nfs/dbraw/zinc/62/53/10/522625310.db2.gz HUCSXUKZYPTYAX-YFKPBYRVSA-N -1 1 348.671 2.477 20 0 EEADMM O=C(c1cc(Cl)ccc1[O-])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000132758437 534659474 /nfs/dbraw/zinc/65/94/74/534659474.db2.gz SOZKUBIIGOBPEQ-UHFFFAOYSA-N -1 1 346.696 2.312 20 0 EEADMM Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183433746 534863416 /nfs/dbraw/zinc/86/34/16/534863416.db2.gz ZSOLZHZHEFUMAY-GFCCVEGCSA-N -1 1 336.399 2.446 20 0 EEADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000153954317 527876344 /nfs/dbraw/zinc/87/63/44/527876344.db2.gz OOTWMMOKAOXAJN-WCQYABFASA-N -1 1 328.434 2.229 20 0 EEADMM CCOc1cc(C(=O)N(C)CCNC(=O)C(C)C)cc(Cl)c1[O-] ZINC000186982524 528207262 /nfs/dbraw/zinc/20/72/62/528207262.db2.gz ODNQBKLQHOKHLQ-UHFFFAOYSA-N -1 1 342.823 2.289 20 0 EEADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc2c1OCCO2 ZINC000426782045 536803609 /nfs/dbraw/zinc/80/36/09/536803609.db2.gz DKDDIYXYYKQFLH-CQSZACIVSA-N -1 1 335.381 2.443 20 0 EEADMM O=C(O[C@H]1CCCc2ccccc2C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738215447 578004147 /nfs/dbraw/zinc/00/41/47/578004147.db2.gz RBWYZGATGLGTFP-HNNXBMFYSA-N -1 1 349.350 2.006 20 0 EEADMM O=C(O[C@H]1CCCc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738215447 578004148 /nfs/dbraw/zinc/00/41/48/578004148.db2.gz RBWYZGATGLGTFP-HNNXBMFYSA-N -1 1 349.350 2.006 20 0 EEADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738290027 578008139 /nfs/dbraw/zinc/00/81/39/578008139.db2.gz YLWABXPVZLSWAM-KGLIPLIRSA-N -1 1 334.441 2.203 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738251830 578006225 /nfs/dbraw/zinc/00/62/25/578006225.db2.gz SJRASXZYCHLISI-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738251830 578006226 /nfs/dbraw/zinc/00/62/26/578006226.db2.gz SJRASXZYCHLISI-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cnc(-c5nnn[n-]5)cn4)C3)nc2c1 ZINC000738443759 578015522 /nfs/dbraw/zinc/01/55/22/578015522.db2.gz ZNAABBFXSLSMJI-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@H]3CCCN(c4cnc(-c5nn[n-]n5)cn4)C3)nc2c1 ZINC000738443759 578015523 /nfs/dbraw/zinc/01/55/23/578015523.db2.gz ZNAABBFXSLSMJI-NSHDSACASA-N -1 1 348.370 2.182 20 0 EEADMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)C1(C)C ZINC000778020373 575970242 /nfs/dbraw/zinc/97/02/42/575970242.db2.gz QIXRBJPXVKUHFY-IUCAKERBSA-N -1 1 339.244 2.480 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccccc1 ZINC000737982028 576017163 /nfs/dbraw/zinc/01/71/63/576017163.db2.gz MHJSWCMIWXLGJB-UHFFFAOYSA-N -1 1 331.335 2.065 20 0 EEADMM O=C([O-])CSCCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000739846769 576284740 /nfs/dbraw/zinc/28/47/40/576284740.db2.gz RTYOTYHCCWBHOA-ZDUSSCGKSA-N -1 1 340.445 2.131 20 0 EEADMM CC(C)c1nc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cs1 ZINC000726688372 576288199 /nfs/dbraw/zinc/28/81/99/576288199.db2.gz VTHFGGCIHXAIAR-UHFFFAOYSA-N -1 1 332.381 2.380 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)/C=C/c3cccs3)nc2n1 ZINC000726863503 576305407 /nfs/dbraw/zinc/30/54/07/576305407.db2.gz FKMCOHNWCAJIAA-VOTSOKGWSA-N -1 1 329.385 2.084 20 0 EEADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1csc2ccccc21 ZINC000730035878 576703600 /nfs/dbraw/zinc/70/36/00/576703600.db2.gz SAIUTXBKUCYKCB-NSHDSACASA-N -1 1 343.408 2.019 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC000737847593 577042846 /nfs/dbraw/zinc/04/28/46/577042846.db2.gz JUPIQDZKXBSWEM-UHFFFAOYSA-N -1 1 343.778 2.356 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC000737847593 577042847 /nfs/dbraw/zinc/04/28/47/577042847.db2.gz JUPIQDZKXBSWEM-UHFFFAOYSA-N -1 1 343.778 2.356 20 0 EEADMM CC(C)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cn1 ZINC000772404620 577270646 /nfs/dbraw/zinc/27/06/46/577270646.db2.gz GJRMSECMSHBWHL-UHFFFAOYSA-N -1 1 326.352 2.318 20 0 EEADMM O=C(c1nc(Cl)ccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000773498686 577346676 /nfs/dbraw/zinc/34/66/76/577346676.db2.gz RORVJYJVYOQCJY-UHFFFAOYSA-N -1 1 343.170 2.497 20 0 EEADMM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1F ZINC000773578218 577352589 /nfs/dbraw/zinc/35/25/89/577352589.db2.gz XJXVOEIKKMYKTD-NSHDSACASA-N -1 1 347.342 2.402 20 0 EEADMM CCC(CC)n1ccc(C(=O)OCCC[N-]C(=O)C(F)(F)F)n1 ZINC000774974010 577425186 /nfs/dbraw/zinc/42/51/86/577425186.db2.gz ZZARUKHABXBWAF-UHFFFAOYSA-N -1 1 335.326 2.470 20 0 EEADMM O=C(/C=C\c1ccc(Cl)nc1)OCCC[N-]C(=O)C(F)(F)F ZINC000774991628 577425706 /nfs/dbraw/zinc/42/57/06/577425706.db2.gz IFIGJHCYJKVMGA-HYXAFXHYSA-N -1 1 336.697 2.360 20 0 EEADMM O=C(NC[C@@H](O)c1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000776490957 577460829 /nfs/dbraw/zinc/46/08/29/577460829.db2.gz NJIKXIRKYFHCEP-CYBMUJFWSA-N -1 1 326.274 2.269 20 0 EEADMM Cn1[n-]c(COC(=O)Cc2coc3ccc4ccccc4c23)nc1=O ZINC000765396312 577500211 /nfs/dbraw/zinc/50/02/11/577500211.db2.gz QMWLURLWIRAFSH-UHFFFAOYSA-N -1 1 337.335 2.294 20 0 EEADMM CC(C)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c2ccccc2n1 ZINC000765422094 577500723 /nfs/dbraw/zinc/50/07/23/577500723.db2.gz SOFKNVPGGCZSJF-UHFFFAOYSA-N -1 1 326.356 2.137 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765475188 577501641 /nfs/dbraw/zinc/50/16/41/577501641.db2.gz XXLCYYKPCYRXKE-MRVPVSSYSA-N -1 1 344.198 2.337 20 0 EEADMM Cc1cccc([C@H](O)CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000769303985 577574555 /nfs/dbraw/zinc/57/45/55/577574555.db2.gz JBHWVLBAAKEFQD-CQSZACIVSA-N -1 1 329.400 2.386 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)o1 ZINC000769893466 577586616 /nfs/dbraw/zinc/58/66/16/577586616.db2.gz WFKFIDUOMRDOAP-UHFFFAOYSA-N -1 1 348.739 2.164 20 0 EEADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2Cl)cn1C ZINC000760511017 577664507 /nfs/dbraw/zinc/66/45/07/577664507.db2.gz WJLQJYAEZUZACT-UHFFFAOYSA-N -1 1 343.792 2.051 20 0 EEADMM O=S(=O)([N-]CCNc1ccccc1)c1ccc(F)c(F)c1F ZINC000760594846 577666504 /nfs/dbraw/zinc/66/65/04/577666504.db2.gz CBRUOKCQDSZEAY-UHFFFAOYSA-N -1 1 330.331 2.494 20 0 EEADMM CO[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)C(F)(F)F ZINC000764242458 577733412 /nfs/dbraw/zinc/73/34/12/577733412.db2.gz IQWQTSWUGHAASH-VIFPVBQESA-N -1 1 342.111 2.462 20 0 EEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC1CCCCCCC1 ZINC000751027751 577747161 /nfs/dbraw/zinc/74/71/61/577747161.db2.gz LXTYOIYUUAJWPE-UHFFFAOYSA-N -1 1 343.449 2.225 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC000753622248 577790820 /nfs/dbraw/zinc/79/08/20/577790820.db2.gz IVZYTOSYKBTGGP-GFCCVEGCSA-N -1 1 349.431 2.204 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000754198454 577802210 /nfs/dbraw/zinc/80/22/10/577802210.db2.gz RPUWFELSJULISY-BNOWGMLFSA-N -1 1 331.416 2.301 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)co1 ZINC000756531012 577845952 /nfs/dbraw/zinc/84/59/52/577845952.db2.gz VQVXTYPYIXHQFX-STQMWFEESA-N -1 1 339.413 2.337 20 0 EEADMM CC[C@@H](C)NC(=S)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000749766823 577981439 /nfs/dbraw/zinc/98/14/39/577981439.db2.gz XJJOJZFNAKMOGP-SECBINFHSA-N -1 1 331.463 2.152 20 0 EEADMM O=C(COC(=O)CCc1cccc(F)c1F)[N-]C(=O)c1ccccc1 ZINC000750256876 577989447 /nfs/dbraw/zinc/98/94/47/577989447.db2.gz ZWVYBMMIHBAUCL-UHFFFAOYSA-N -1 1 347.317 2.397 20 0 EEADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(Br)c2O)C1 ZINC000738537577 578018810 /nfs/dbraw/zinc/01/88/10/578018810.db2.gz IVWUJYBYXOLMRC-MRVPVSSYSA-N -1 1 328.162 2.092 20 0 EEADMM Cc1ccc(CN2CCSCC2)cc1NC(=O)CCNC(=O)[O-] ZINC000738598015 578020607 /nfs/dbraw/zinc/02/06/07/578020607.db2.gz NFRFUGKCBMNRNY-UHFFFAOYSA-N -1 1 337.445 2.140 20 0 EEADMM Cc1nn(CN(C[C@@H](C)C(=O)[O-])C2CC2)c(C)c1Br ZINC000738922343 578031184 /nfs/dbraw/zinc/03/11/84/578031184.db2.gz GRJNNIJHZRQBSS-MRVPVSSYSA-N -1 1 330.226 2.405 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(F)cc3[nH]cnc32)c2ccccc2O1 ZINC000739613853 578060918 /nfs/dbraw/zinc/06/09/18/578060918.db2.gz DRYAKZOXPFWGFY-CQSZACIVSA-N -1 1 341.298 2.194 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000740016851 578077344 /nfs/dbraw/zinc/07/73/44/578077344.db2.gz AURXRVHWOLMWGI-INIZCTEOSA-N -1 1 346.431 2.199 20 0 EEADMM O=C([O-])CSCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000740486784 578095826 /nfs/dbraw/zinc/09/58/26/578095826.db2.gz CAGVSORJEAMOOW-UHFFFAOYSA-N -1 1 342.380 2.381 20 0 EEADMM Brc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735367912 578149669 /nfs/dbraw/zinc/14/96/69/578149669.db2.gz ATMVWSMYRUQKFH-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735367912 578149670 /nfs/dbraw/zinc/14/96/70/578149670.db2.gz ATMVWSMYRUQKFH-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM CC(C)CN1CCO[C@H](CNC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000735841841 578170827 /nfs/dbraw/zinc/17/08/27/578170827.db2.gz WUVNJLHJGQEAPW-CYBMUJFWSA-N -1 1 349.456 2.203 20 0 EEADMM CC(C)c1ccc([C@H]2C[C@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735923638 578174181 /nfs/dbraw/zinc/17/41/81/578174181.db2.gz NUCKSTNCTBLNSW-CHWSQXEVSA-N -1 1 337.387 2.213 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)Nc1ccccc1 ZINC000736136414 578182664 /nfs/dbraw/zinc/18/26/64/578182664.db2.gz GGDCLSWNRMLXJZ-VIFPVBQESA-N -1 1 343.778 2.354 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC000736136414 578182665 /nfs/dbraw/zinc/18/26/65/578182665.db2.gz GGDCLSWNRMLXJZ-VIFPVBQESA-N -1 1 343.778 2.354 20 0 EEADMM C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290909 578193606 /nfs/dbraw/zinc/19/36/06/578193606.db2.gz KRSLITNEHQQGFO-PXAZEXFGSA-N -1 1 348.410 2.012 20 0 EEADMM C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)Cc2ccccc21 ZINC000736290909 578193607 /nfs/dbraw/zinc/19/36/07/578193607.db2.gz KRSLITNEHQQGFO-PXAZEXFGSA-N -1 1 348.410 2.012 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736396197 578201278 /nfs/dbraw/zinc/20/12/78/578201278.db2.gz PQVYPXCSGQDUDQ-KRWDZBQOSA-N -1 1 343.427 2.138 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3nccnc3-c3nn[n-]n3)ccc12 ZINC000736679163 578217706 /nfs/dbraw/zinc/21/77/06/578217706.db2.gz MMCVFBZMUWAKEP-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCN1CCOC ZINC000736940045 578230030 /nfs/dbraw/zinc/23/00/30/578230030.db2.gz QYCJXXINJKCOIK-HNNXBMFYSA-N -1 1 349.431 2.268 20 0 EEADMM CCc1nc(NC(=O)CNC2(C(=O)[O-])CCCCC2)sc1C ZINC000737283036 578247898 /nfs/dbraw/zinc/24/78/98/578247898.db2.gz TVZWKIFLFVLAJI-UHFFFAOYSA-N -1 1 325.434 2.330 20 0 EEADMM CN(C(=O)c1ccc(O)c(Cl)c1)c1nc(CC(=O)[O-])cs1 ZINC000737338436 578251291 /nfs/dbraw/zinc/25/12/91/578251291.db2.gz BLJOXFZAOWBGBD-UHFFFAOYSA-N -1 1 326.761 2.406 20 0 EEADMM Cc1oc(-c2ccsc2)nc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737548679 578263493 /nfs/dbraw/zinc/26/34/93/578263493.db2.gz QMCOBKRVJUCKCJ-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM Cn1nccc1[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737629468 578267616 /nfs/dbraw/zinc/26/76/16/578267616.db2.gz VUJSAPIVTCWMIV-JTQLQIEISA-N -1 1 344.810 2.033 20 0 EEADMM Cn1nccc1[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737629468 578267617 /nfs/dbraw/zinc/26/76/17/578267617.db2.gz VUJSAPIVTCWMIV-JTQLQIEISA-N -1 1 344.810 2.033 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc(F)cc1 ZINC000737982885 578275347 /nfs/dbraw/zinc/27/53/47/578275347.db2.gz TZWFHXUHGXUQIO-UHFFFAOYSA-N -1 1 349.325 2.204 20 0 EEADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821620372 599115755 /nfs/dbraw/zinc/11/57/55/599115755.db2.gz HSPZSGSEMMSFKQ-CYBMUJFWSA-N -1 1 330.735 2.309 20 0 EEADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821620372 599115756 /nfs/dbraw/zinc/11/57/56/599115756.db2.gz HSPZSGSEMMSFKQ-CYBMUJFWSA-N -1 1 330.735 2.309 20 0 EEADMM CCN(c1ccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)cc1)C(C)C ZINC000246197795 597527752 /nfs/dbraw/zinc/52/77/52/597527752.db2.gz DQLRMYOGNCRFOE-CQSZACIVSA-N -1 1 333.432 2.266 20 0 EEADMM Cc1cc(Br)ccc1NC(=O)CN[C@@H](C(=O)[O-])C(C)C ZINC000035391390 598189156 /nfs/dbraw/zinc/18/91/56/598189156.db2.gz NDYKQLPLDMLJHF-CYBMUJFWSA-N -1 1 343.221 2.395 20 0 EEADMM CCC[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821014758 599338130 /nfs/dbraw/zinc/33/81/30/599338130.db2.gz KWWVNCHCXBCZLO-VIFPVBQESA-N -1 1 343.840 2.329 20 0 EEADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n[nH]1 ZINC000821014988 599444963 /nfs/dbraw/zinc/44/49/63/599444963.db2.gz MTSJGLJOIACJIW-SECBINFHSA-N -1 1 326.364 2.141 20 0 EEADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n[nH]1 ZINC000821014988 599444964 /nfs/dbraw/zinc/44/49/64/599444964.db2.gz MTSJGLJOIACJIW-SECBINFHSA-N -1 1 326.364 2.141 20 0 EEADMM Cc1n[nH]cc1CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000822015812 599470064 /nfs/dbraw/zinc/47/00/64/599470064.db2.gz OYJYKHQKISJSSO-UHFFFAOYSA-N -1 1 334.387 2.491 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821982760 599654021 /nfs/dbraw/zinc/65/40/21/599654021.db2.gz ALKCBEGRZJKQRA-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1ccc(F)cc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821982760 599654022 /nfs/dbraw/zinc/65/40/22/599654022.db2.gz ALKCBEGRZJKQRA-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM O=C([O-])[C@@H](NCc1ccccc1Cn1cncn1)c1ccccc1F ZINC000833170177 600737446 /nfs/dbraw/zinc/73/74/46/600737446.db2.gz QSPUQPHQCWWEAJ-KRWDZBQOSA-N -1 1 340.358 2.381 20 0 EEADMM CCc1ccc(O)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000830253633 600984341 /nfs/dbraw/zinc/98/43/41/600984341.db2.gz IZAYTJXJYFYKJV-UHFFFAOYSA-N -1 1 337.353 2.159 20 0 EEADMM COC[C@@H](C)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000831643494 600986691 /nfs/dbraw/zinc/98/66/91/600986691.db2.gz KPJGPRVGAFSHQR-DOMZBBRYSA-N -1 1 326.824 2.118 20 0 EEADMM CN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)[C@H]1CCCc2ccccc21 ZINC000830485893 601033215 /nfs/dbraw/zinc/03/32/15/601033215.db2.gz RCISUMNLCGNTCG-QFBILLFUSA-N -1 1 330.428 2.365 20 0 EEADMM O=C([O-])CC1(NS(=O)(=O)c2c(F)cccc2F)CCCCC1 ZINC000315198226 601266006 /nfs/dbraw/zinc/26/60/06/601266006.db2.gz BFCVTLROSJDKHD-UHFFFAOYSA-N -1 1 333.356 2.421 20 0 EEADMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCOc1cccc(C(=O)[O-])c1 ZINC000829143411 601449720 /nfs/dbraw/zinc/44/97/20/601449720.db2.gz ZMJPTKJZWVMFOR-IRXDYDNUSA-N -1 1 348.443 2.485 20 0 EEADMM C[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824764763 607530294 /nfs/dbraw/zinc/53/02/94/607530294.db2.gz YFPWZJGEXVQAOB-SNVBAGLBSA-N -1 1 347.375 2.077 20 0 EEADMM C[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824764763 607530296 /nfs/dbraw/zinc/53/02/96/607530296.db2.gz YFPWZJGEXVQAOB-SNVBAGLBSA-N -1 1 347.375 2.077 20 0 EEADMM CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000825160306 607531009 /nfs/dbraw/zinc/53/10/09/607531009.db2.gz ZFENJQAEFOTLBV-OAHLLOKOSA-N -1 1 343.412 2.328 20 0 EEADMM CC[C@H](c1ccccc1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000825160306 607531010 /nfs/dbraw/zinc/53/10/10/607531010.db2.gz ZFENJQAEFOTLBV-OAHLLOKOSA-N -1 1 343.412 2.328 20 0 EEADMM CCc1oc(C(=O)OC)cc1CN1CCSC[C@@H]1CC(=O)[O-] 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2.478 20 0 EEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000827007192 604431250 /nfs/dbraw/zinc/43/12/50/604431250.db2.gz VCBYYXIAZTWSMD-OAHLLOKOSA-N -1 1 331.372 2.027 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n[nH]1 ZINC000832883892 604690017 /nfs/dbraw/zinc/69/00/17/604690017.db2.gz QUJRNIGGISHWRU-SNVBAGLBSA-N -1 1 328.372 2.073 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000833512529 605018535 /nfs/dbraw/zinc/01/85/35/605018535.db2.gz OXVHIHCLBCUQKW-JTQLQIEISA-N -1 1 347.375 2.274 20 0 EEADMM Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc12 ZINC000833750941 605052737 /nfs/dbraw/zinc/05/27/37/605052737.db2.gz IFKUAFNFSUXKEM-UHFFFAOYSA-N -1 1 346.368 2.074 20 0 EEADMM C[C@H](Oc1cccnc1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833541462 605060737 /nfs/dbraw/zinc/06/07/37/605060737.db2.gz BAMFGXKBMFUJTK-VIFPVBQESA-N -1 1 326.312 2.062 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(C(F)F)c1 ZINC000833626921 605106958 /nfs/dbraw/zinc/10/69/58/605106958.db2.gz SHWUKFQDMFOUFQ-NSHDSACASA-N -1 1 326.343 2.245 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@H]1C ZINC000833659166 605143990 /nfs/dbraw/zinc/14/39/90/605143990.db2.gz YUCJISGLZVNMQW-OLZOCXBDSA-N -1 1 349.431 2.018 20 0 EEADMM Cc1cccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CCC2)c1 ZINC000833752540 605156235 /nfs/dbraw/zinc/15/62/35/605156235.db2.gz MFJGTESJZKDRSJ-MRXNPFEDSA-N -1 1 344.455 2.424 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000833625084 605162235 /nfs/dbraw/zinc/16/22/35/605162235.db2.gz WDAATQWKXLOKHP-KSSFIOAISA-N -1 1 330.428 2.188 20 0 EEADMM C[C@@H]1CN(C(=S)NCCCC(=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC000833625253 605179763 /nfs/dbraw/zinc/17/97/63/605179763.db2.gz TYHONZIZIKJZBB-HUUCEWRRSA-N -1 1 349.500 2.321 20 0 EEADMM C/C(=C\c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833386803 605276033 /nfs/dbraw/zinc/27/60/33/605276033.db2.gz SRMXGQZIEIAPAP-CMPYXILNSA-N -1 1 334.391 2.236 20 0 EEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833420192 605295869 /nfs/dbraw/zinc/29/58/69/605295869.db2.gz CMHLNHMYSNTWKN-OAHLLOKOSA-N -1 1 348.443 2.277 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)O1 ZINC000833585734 605325280 /nfs/dbraw/zinc/32/52/80/605325280.db2.gz UPUYEZLERNDKFZ-CHWSQXEVSA-N -1 1 340.420 2.123 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@H](c2ccc(C)cc2)C1)C(=O)[O-] ZINC000833638965 605422514 /nfs/dbraw/zinc/42/25/14/605422514.db2.gz LVHGNGQYQJBBEX-QILLFSRXSA-N -1 1 332.444 2.400 20 0 EEADMM O=C(NCCOc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826438747 607769064 /nfs/dbraw/zinc/76/90/64/607769064.db2.gz PEEQBJDRLXGUCB-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM O=C(NCCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826438747 607769065 /nfs/dbraw/zinc/76/90/65/607769065.db2.gz PEEQBJDRLXGUCB-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833479497 606091363 /nfs/dbraw/zinc/09/13/63/606091363.db2.gz MUQHXAAMHSJDJG-STQMWFEESA-N -1 1 349.435 2.070 20 0 EEADMM Cn1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc2ccccc21 ZINC000822596660 606196924 /nfs/dbraw/zinc/19/69/24/606196924.db2.gz PNVFWFMUTYDCEK-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C)c(F)c2)c1-c1nnn[n-]1 ZINC000822226398 606238081 /nfs/dbraw/zinc/23/80/81/606238081.db2.gz QNSDJARCGZQELY-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM Cc1nsc(N(C)C(=O)c2ccc(C)c(F)c2)c1-c1nn[n-]n1 ZINC000822226398 606238082 /nfs/dbraw/zinc/23/80/82/606238082.db2.gz QNSDJARCGZQELY-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM COc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821777524 606296622 /nfs/dbraw/zinc/29/66/22/606296622.db2.gz HDKNZWUENWNQFD-SNVBAGLBSA-N -1 1 339.355 2.323 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821679085 606443496 /nfs/dbraw/zinc/44/34/96/606443496.db2.gz WYJWCHYLEYLUGZ-NHYWBVRUSA-N -1 1 335.433 2.204 20 0 EEADMM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821679085 606443498 /nfs/dbraw/zinc/44/34/98/606443498.db2.gz WYJWCHYLEYLUGZ-NHYWBVRUSA-N -1 1 335.433 2.204 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821679086 606443837 /nfs/dbraw/zinc/44/38/37/606443837.db2.gz WYJWCHYLEYLUGZ-XHDPSFHLSA-N -1 1 335.433 2.204 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821679086 606443838 /nfs/dbraw/zinc/44/38/38/606443838.db2.gz WYJWCHYLEYLUGZ-XHDPSFHLSA-N -1 1 335.433 2.204 20 0 EEADMM CCc1nc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821504103 606558410 /nfs/dbraw/zinc/55/84/10/606558410.db2.gz ACSLGMKBPVFRNM-ZETCQYMHSA-N -1 1 334.430 2.438 20 0 EEADMM CCc1nc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821504103 606558411 /nfs/dbraw/zinc/55/84/11/606558411.db2.gz ACSLGMKBPVFRNM-ZETCQYMHSA-N -1 1 334.430 2.438 20 0 EEADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820028500 606595557 /nfs/dbraw/zinc/59/55/57/606595557.db2.gz ZXAAYQWMQVZHDN-CYBMUJFWSA-N -1 1 340.391 2.119 20 0 EEADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820028500 606595559 /nfs/dbraw/zinc/59/55/59/606595559.db2.gz ZXAAYQWMQVZHDN-CYBMUJFWSA-N -1 1 340.391 2.119 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823166954 606599208 /nfs/dbraw/zinc/59/92/08/606599208.db2.gz UYNRAWOLNSRVFV-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823166954 606599209 /nfs/dbraw/zinc/59/92/09/606599209.db2.gz UYNRAWOLNSRVFV-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820636516 606690980 /nfs/dbraw/zinc/69/09/80/606690980.db2.gz SXGDGMGOIDAFBX-SFHVURJKSA-N -1 1 334.383 2.066 20 0 EEADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820636516 606690981 /nfs/dbraw/zinc/69/09/81/606690981.db2.gz SXGDGMGOIDAFBX-SFHVURJKSA-N -1 1 334.383 2.066 20 0 EEADMM Cc1cc(C)n(-c2ccccc2CNc2nccnc2-c2nnn[n-]2)n1 ZINC000822197611 606723061 /nfs/dbraw/zinc/72/30/61/606723061.db2.gz IAMSPVKANYCZME-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1cc(C)n(-c2ccccc2CNc2nccnc2-c2nn[n-]n2)n1 ZINC000822197611 606723063 /nfs/dbraw/zinc/72/30/63/606723063.db2.gz IAMSPVKANYCZME-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c1cccc2Cl ZINC000823478902 606817945 /nfs/dbraw/zinc/81/79/45/606817945.db2.gz WGUSILKWDXOWJV-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c1cccc2Cl ZINC000823478902 606817947 /nfs/dbraw/zinc/81/79/47/606817947.db2.gz WGUSILKWDXOWJV-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC2CC2)c2ccc(Br)cc12 ZINC000823656783 606867891 /nfs/dbraw/zinc/86/78/91/606867891.db2.gz IEJNZFKDMBQWBV-UHFFFAOYSA-N -1 1 346.188 2.354 20 0 EEADMM O[C@@]12CCCC[C@@H]1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000823696994 607032697 /nfs/dbraw/zinc/03/26/97/607032697.db2.gz HXNURDWPQULLHB-MEBBXXQBSA-N -1 1 334.811 2.047 20 0 EEADMM O[C@@]12CCCC[C@@H]1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000823696994 607032699 /nfs/dbraw/zinc/03/26/99/607032699.db2.gz HXNURDWPQULLHB-MEBBXXQBSA-N -1 1 334.811 2.047 20 0 EEADMM O[C@]12CCCC[C@@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000823697040 607034176 /nfs/dbraw/zinc/03/41/76/607034176.db2.gz IGFIYVZKEBKZOR-OQPBUACISA-N -1 1 340.840 2.108 20 0 EEADMM O[C@]12CCCC[C@@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000823697040 607034177 /nfs/dbraw/zinc/03/41/77/607034177.db2.gz IGFIYVZKEBKZOR-OQPBUACISA-N -1 1 340.840 2.108 20 0 EEADMM C[C@H]1CCC[C@H](C)N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824925987 607863252 /nfs/dbraw/zinc/86/32/52/607863252.db2.gz HZSLOVQXOYZCIT-QWRGUYRKSA-N -1 1 333.367 2.174 20 0 EEADMM C[C@H]1CCC[C@H](C)N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824925987 607863253 /nfs/dbraw/zinc/86/32/53/607863253.db2.gz HZSLOVQXOYZCIT-QWRGUYRKSA-N -1 1 333.367 2.174 20 0 EEADMM CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825820938 607864350 /nfs/dbraw/zinc/86/43/50/607864350.db2.gz YTBGXEHPCKMYOK-UHFFFAOYSA-N -1 1 333.367 2.176 20 0 EEADMM CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825820938 607864351 /nfs/dbraw/zinc/86/43/51/607864351.db2.gz YTBGXEHPCKMYOK-UHFFFAOYSA-N -1 1 333.367 2.176 20 0 EEADMM C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824939963 607865978 /nfs/dbraw/zinc/86/59/78/607865978.db2.gz YLKNPBQFQHSTFJ-ZYHUDNBSSA-N -1 1 333.367 2.080 20 0 EEADMM C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824939963 607865979 /nfs/dbraw/zinc/86/59/79/607865979.db2.gz YLKNPBQFQHSTFJ-ZYHUDNBSSA-N -1 1 333.367 2.080 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826293026 607867680 /nfs/dbraw/zinc/86/76/80/607867680.db2.gz XKQZZYRSGXUDQJ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826293026 607867681 /nfs/dbraw/zinc/86/76/81/607867681.db2.gz XKQZZYRSGXUDQJ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)C1CCC1 ZINC000826340566 607912459 /nfs/dbraw/zinc/91/24/59/607912459.db2.gz CROZZXPIZVWQJK-SNVBAGLBSA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)C1CCC1 ZINC000826340566 607912460 /nfs/dbraw/zinc/91/24/60/607912460.db2.gz CROZZXPIZVWQJK-SNVBAGLBSA-N -1 1 340.387 2.477 20 0 EEADMM CCc1onc(C)c1[N-]C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000825782552 608009876 /nfs/dbraw/zinc/00/98/76/608009876.db2.gz GRIOOUZPBLTJSX-UHFFFAOYSA-N -1 1 333.739 2.026 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824907287 608012479 /nfs/dbraw/zinc/01/24/79/608012479.db2.gz HVBYJLAMVNGDCO-FRRDWIJNSA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824907287 608012480 /nfs/dbraw/zinc/01/24/80/608012480.db2.gz HVBYJLAMVNGDCO-FRRDWIJNSA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000824237488 608235869 /nfs/dbraw/zinc/23/58/69/608235869.db2.gz SIEZBHSXWXTVNV-GFCCVEGCSA-N -1 1 332.408 2.430 20 0 EEADMM CC(C)C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000824237488 608235870 /nfs/dbraw/zinc/23/58/70/608235870.db2.gz SIEZBHSXWXTVNV-GFCCVEGCSA-N -1 1 332.408 2.430 20 0 EEADMM Fc1cccc(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826376765 608400859 /nfs/dbraw/zinc/40/08/59/608400859.db2.gz QUIVAVMENOPHFI-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1cccc(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826376765 608400860 /nfs/dbraw/zinc/40/08/60/608400860.db2.gz QUIVAVMENOPHFI-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Cc1ccc([C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC000826286092 608710974 /nfs/dbraw/zinc/71/09/74/608710974.db2.gz RWLXJDLJKCUHPK-LBPRGKRZSA-N -1 1 331.401 2.403 20 0 EEADMM Cc1cc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)ccc1F ZINC000826266249 608725043 /nfs/dbraw/zinc/72/50/43/608725043.db2.gz IMBGTZRLPFVSFU-MRXNPFEDSA-N -1 1 343.362 2.481 20 0 EEADMM Cc1cc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)ccc1F ZINC000826266249 608725045 /nfs/dbraw/zinc/72/50/45/608725045.db2.gz IMBGTZRLPFVSFU-MRXNPFEDSA-N -1 1 343.362 2.481 20 0 EEADMM CCC[C@H]1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825254451 609161645 /nfs/dbraw/zinc/16/16/45/609161645.db2.gz RQJAKRGQAKMOEC-RYUDHWBXSA-N -1 1 331.376 2.106 20 0 EEADMM CSc1ccccc1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826230598 609244112 /nfs/dbraw/zinc/24/41/12/609244112.db2.gz AUFNSWYZIHBWBF-UHFFFAOYSA-N -1 1 341.396 2.270 20 0 EEADMM CSc1ccccc1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826230598 609244114 /nfs/dbraw/zinc/24/41/14/609244114.db2.gz AUFNSWYZIHBWBF-UHFFFAOYSA-N -1 1 341.396 2.270 20 0 EEADMM CC(C)=C(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824178049 609290029 /nfs/dbraw/zinc/29/00/29/609290029.db2.gz LLSXRTRFAHXAIQ-UHFFFAOYSA-N -1 1 341.350 2.486 20 0 EEADMM CS/C=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826227552 609290843 /nfs/dbraw/zinc/29/08/43/609290843.db2.gz STKVXOKAROKCNM-SOFGYWHQSA-N -1 1 345.363 2.007 20 0 EEADMM CCC/C=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825261141 609312928 /nfs/dbraw/zinc/31/29/28/609312928.db2.gz VCMMCLBDAUPCFT-YWEYNIOJSA-N -1 1 341.350 2.486 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1CC(F)(F)C(F)F ZINC000947236897 676037228 /nfs/dbraw/zinc/03/72/28/676037228.db2.gz ZDIMJOKRUKZZCY-ZJUUUORDSA-N -1 1 349.328 2.270 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)c1cncc([O-])c1 ZINC000890818832 675663616 /nfs/dbraw/zinc/66/36/16/675663616.db2.gz NMWAIQOEEPOPJQ-ACJLOTCBSA-N -1 1 347.415 2.307 20 0 EEADMM CC1(CC(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])CCCCC1 ZINC000949535699 676598747 /nfs/dbraw/zinc/59/87/47/676598747.db2.gz YNEIULKBLUZPBB-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000933385575 676652407 /nfs/dbraw/zinc/65/24/07/676652407.db2.gz FPMJHGLWQDJKTA-NOZJJQNGSA-N -1 1 346.258 2.063 20 0 EEADMM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])[C@H]1CN(C)CCN1C ZINC000933385575 676652408 /nfs/dbraw/zinc/65/24/08/676652408.db2.gz FPMJHGLWQDJKTA-NOZJJQNGSA-N -1 1 346.258 2.063 20 0 EEADMM COc1ccc(O[C@@H](C)C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891627296 676735366 /nfs/dbraw/zinc/73/53/66/676735366.db2.gz VLNARGDOBKICKE-NSHDSACASA-N -1 1 343.383 2.476 20 0 EEADMM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866860294 677919870 /nfs/dbraw/zinc/91/98/70/677919870.db2.gz SAVFKEMTSUWDGD-BDAKNGLRSA-N -1 1 336.255 2.419 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000866872597 677965176 /nfs/dbraw/zinc/96/51/76/677965176.db2.gz VFAKUDHQFYPPIP-KGLIPLIRSA-N -1 1 330.475 2.059 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2coc(C)c2)CCN1C(=O)c1ncccc1[O-] ZINC000984811071 685286872 /nfs/dbraw/zinc/28/68/72/685286872.db2.gz SHLXCTACBASVFV-UONOGXRCSA-N -1 1 343.383 2.112 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC23CCC3)CCN1C(=O)c1ncccc1[O-] ZINC000984880542 685369560 /nfs/dbraw/zinc/36/95/60/685369560.db2.gz WHIWHVJEXZVGIU-HZSPNIEDSA-N -1 1 343.427 2.087 20 0 EEADMM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cccc(Cl)n2)c1 ZINC000162270871 681399073 /nfs/dbraw/zinc/39/90/73/681399073.db2.gz XMBGTOZUKXVISD-UHFFFAOYSA-N -1 1 340.788 2.464 20 0 EEADMM CCC(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937102136 681407045 /nfs/dbraw/zinc/40/70/45/681407045.db2.gz SJYYMIJTHIOERW-OAHLLOKOSA-N -1 1 339.395 2.053 20 0 EEADMM O=C(C=C1CCCCC1)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982517810 681452117 /nfs/dbraw/zinc/45/21/17/681452117.db2.gz VEOJJBMEOPIZCA-HNNXBMFYSA-N -1 1 343.427 2.256 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ncccc1[O-] ZINC000983289723 682191382 /nfs/dbraw/zinc/19/13/82/682191382.db2.gz GIESRGSUJQHXIK-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)c1ccsc1 ZINC000973198582 682295883 /nfs/dbraw/zinc/29/58/83/682295883.db2.gz ZYUIPIIDQZROMO-RAIGVLPGSA-N -1 1 345.424 2.029 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNC(=O)c2ccco2)C1 ZINC000983738369 683224684 /nfs/dbraw/zinc/22/46/84/683224684.db2.gz FRWLMXWXJINKCQ-OLZOCXBDSA-N -1 1 343.383 2.051 20 0 EEADMM CC1CC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])C1 ZINC000983740167 683230408 /nfs/dbraw/zinc/23/04/08/683230408.db2.gz KHUONABSHKNILC-URGYJCLVSA-N -1 1 345.443 2.190 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCC2(Cc3ccccc3)CCC2)C1 ZINC000909415352 683336795 /nfs/dbraw/zinc/33/67/95/683336795.db2.gz CKZBMLQWRQQVNQ-KRWDZBQOSA-N -1 1 344.455 2.312 20 0 EEADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)nc2)cc1OC ZINC000152830778 683548132 /nfs/dbraw/zinc/54/81/32/683548132.db2.gz FMBSQDRWDKSYCU-UHFFFAOYSA-N -1 1 326.349 2.347 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000983856265 683621659 /nfs/dbraw/zinc/62/16/59/683621659.db2.gz AGQJSJCDTXPWBM-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000984023053 683976359 /nfs/dbraw/zinc/97/63/59/683976359.db2.gz HWFPSQYUIMRBAL-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C(=O)c1cccs1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984110144 684112648 /nfs/dbraw/zinc/11/26/48/684112648.db2.gz ZWNNKKJWLXGJFX-LBPRGKRZSA-N -1 1 345.424 2.226 20 0 EEADMM Cc1cocc1C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984123488 684126671 /nfs/dbraw/zinc/12/66/71/684126671.db2.gz VXAYQIVHIKPNFQ-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)C1(F)CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984124341 684127319 /nfs/dbraw/zinc/12/73/19/684127319.db2.gz XYKGJBOVGYNIKF-CYBMUJFWSA-N -1 1 349.406 2.133 20 0 EEADMM Cc1cscc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978745795 693866916 /nfs/dbraw/zinc/86/69/16/693866916.db2.gz UXQPPJXDPOSFCE-TXEJJXNPSA-N -1 1 345.424 2.096 20 0 EEADMM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1)C(=O)[O-] ZINC000909525218 684664981 /nfs/dbraw/zinc/66/49/81/684664981.db2.gz WKTLVYLHCGERFW-AAEUAGOBSA-N -1 1 327.384 2.417 20 0 EEADMM O=C(C[C@@H]1CCC2(CCC2)CO1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000895836650 684743801 /nfs/dbraw/zinc/74/38/01/684743801.db2.gz CZTZTBFYNCGHRH-HOCLYGCPSA-N -1 1 341.415 2.145 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2(C3CC3)CC2)CCN1C(=O)c1ncccc1[O-] ZINC000985004714 685662317 /nfs/dbraw/zinc/66/23/17/685662317.db2.gz MVJWAUSUGZFPHX-UONOGXRCSA-N -1 1 343.427 2.087 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2(C)CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000985247103 686136424 /nfs/dbraw/zinc/13/64/24/686136424.db2.gz LHJYBDAQRVCLPJ-QWHCGFSZSA-N -1 1 331.416 2.087 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228327 686321140 /nfs/dbraw/zinc/32/11/40/686321140.db2.gz VKIPXALQHIHZND-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM COc1ccc([C@H](NCc2cc(C(F)(F)F)n[nH]2)C(=O)[O-])cc1 ZINC000901646581 694065628 /nfs/dbraw/zinc/06/56/28/694065628.db2.gz GZCXARUXTRDRAW-LBPRGKRZSA-N -1 1 329.278 2.353 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001029756750 687015321 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CCOC(=O)c1ncc([N-]S(=O)(=O)CC2CCC2)cc1Cl ZINC001193479894 1282528780 /nfs/dbraw/zinc/52/87/80/1282528780.db2.gz IVOLLUYNYRDSEC-UHFFFAOYSA-N -1 1 332.809 2.454 20 0 EEADMM COC(=O)[C@H]1CCc2cc(NC(=O)c3nccc(OC)c3[O-])ccc21 ZINC001193543738 1282547365 /nfs/dbraw/zinc/54/73/65/1282547365.db2.gz ZKMGLUQEXBOMHN-ZDUSSCGKSA-N -1 1 342.351 2.251 20 0 EEADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cc(CO)on2)cc1 ZINC001193938714 1282771467 /nfs/dbraw/zinc/77/14/67/1282771467.db2.gz XONXLNQKQQFBIN-UHFFFAOYSA-N -1 1 345.380 2.217 20 0 EEADMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO1 ZINC000867091960 1282798807 /nfs/dbraw/zinc/79/88/07/1282798807.db2.gz ALJOSHPWIRZVQX-NXEZZACHSA-N -1 1 336.816 2.358 20 0 EEADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2c(c1)CN(C)CC2 ZINC001194606200 1283202251 /nfs/dbraw/zinc/20/22/51/1283202251.db2.gz XFSPGRNRIUBHOA-UHFFFAOYSA-N -1 1 331.441 2.487 20 0 EEADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC001194633919 1283209141 /nfs/dbraw/zinc/20/91/41/1283209141.db2.gz 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CC(C)CCOC(=O)[C@H](C)Oc1[n-]c(=O)ncc1Br ZINC001227138667 1301706080 /nfs/dbraw/zinc/70/60/80/1301706080.db2.gz SMUSNPGAAUHHAZ-QMMMGPOBSA-N -1 1 333.182 2.301 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ccnc(C(C)(C)C)n1 ZINC001103068258 1302157331 /nfs/dbraw/zinc/15/73/31/1302157331.db2.gz BHPTVVDHEWYXOR-GFCCVEGCSA-N -1 1 343.431 2.495 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2cnnc(=S)[n-]2)C1 ZINC001228635716 1302349172 /nfs/dbraw/zinc/34/91/72/1302349172.db2.gz BRUBUUZLLHULBT-VHSXEESVSA-N -1 1 344.412 2.277 20 0 EEADMM O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1OC[C@H]1COCO1 ZINC001229435069 1302780386 /nfs/dbraw/zinc/78/03/86/1302780386.db2.gz YKSILPSDOHOGJP-OAHLLOKOSA-N -1 1 330.336 2.275 20 0 EEADMM C[C@H]1CCCC[C@]1(CNc1ncccn1)NC(=O)c1ncccc1[O-] ZINC001103599191 1303152888 /nfs/dbraw/zinc/15/28/88/1303152888.db2.gz IHKZXMABUJOWNY-SCLBCKFNSA-N -1 1 341.415 2.368 20 0 EEADMM Cc1nc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)ccc1[C@@H](C)O ZINC000781010539 1303724609 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CCC[C@@H](CC)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001604138164 1350871320 /nfs/dbraw/zinc/87/13/20/1350871320.db2.gz IUKKYRNFFJQAPD-GFCCVEGCSA-N -1 1 348.476 2.403 20 0 EEADMM COC[C@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccco1 ZINC001605058669 1351069109 /nfs/dbraw/zinc/06/91/09/1351069109.db2.gz CFPSQPGBFLBKGG-LURJTMIESA-N -1 1 326.769 2.369 20 0 EEADMM CCc1nc(NC(=O)Cc2n[nH]c3ccccc32)sc1C(=O)[O-] ZINC001605855160 1351238231 /nfs/dbraw/zinc/23/82/31/1351238231.db2.gz STPFYYRFNFAZSS-UHFFFAOYSA-N -1 1 330.369 2.461 20 0 EEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccco1 ZINC001607142834 1351437514 /nfs/dbraw/zinc/43/75/14/1351437514.db2.gz WWRHHQZEKSWPSD-JSGCOSHPSA-N -1 1 349.383 2.419 20 0 EEADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN(C)[C@@H](C)c1ccco1 ZINC001607142834 1351437515 /nfs/dbraw/zinc/43/75/15/1351437515.db2.gz WWRHHQZEKSWPSD-JSGCOSHPSA-N -1 1 349.383 2.419 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)C[C@@H]1c1ccccc1 ZINC001608567580 1351717333 /nfs/dbraw/zinc/71/73/33/1351717333.db2.gz ZNULTKBFEOSVHC-SJKOYZFVSA-N -1 1 326.356 2.269 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)C[C@@H]1c1ccccc1 ZINC001608567580 1351717336 /nfs/dbraw/zinc/71/73/36/1351717336.db2.gz ZNULTKBFEOSVHC-SJKOYZFVSA-N -1 1 326.356 2.269 20 0 EEADMM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001309722252 1331640471 /nfs/dbraw/zinc/64/04/71/1331640471.db2.gz QWQYUNFDLSZYKM-ZANVPECISA-N -1 1 344.795 2.275 20 0 EEADMM O=C(NCc1cccc(F)n1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001311066021 1331747959 /nfs/dbraw/zinc/74/79/59/1331747959.db2.gz HPMPKVKMZZNSOL-UHFFFAOYSA-N -1 1 327.319 2.434 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2coc([C@@H]3CCCN3)n2)[C@H]2CCCC[C@@H]12 ZINC001608633641 1351730711 /nfs/dbraw/zinc/73/07/11/1351730711.db2.gz XOBWUGNFMJPHCJ-XFMPKHEZSA-N -1 1 347.415 2.205 20 0 EEADMM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2nn[nH]c21 ZINC001608713887 1351747050 /nfs/dbraw/zinc/74/70/50/1351747050.db2.gz QTGOEOWWBDWBKH-UHFFFAOYSA-N -1 1 338.367 2.465 20 0 EEADMM O=C([O-])CSCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001608768074 1351758518 /nfs/dbraw/zinc/75/85/18/1351758518.db2.gz WZLLHPBYALLGNR-UHFFFAOYSA-N -1 1 329.328 2.048 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1c[nH]cc2ncnc1-2 ZINC001608803311 1351767332 /nfs/dbraw/zinc/76/73/32/1351767332.db2.gz QTJJYYDNZWIGNQ-GJZGRUSLSA-N -1 1 336.351 2.388 20 0 EEADMM Cc1ccn2cc(C(=O)OCC(=O)c3ccc([O-])cc3O)nc2c1 ZINC001317737200 1332393604 /nfs/dbraw/zinc/39/36/04/1332393604.db2.gz NUSSHYAGIYEHRH-UHFFFAOYSA-N -1 1 326.308 2.094 20 0 EEADMM O=C([O-])c1cc(Br)oc1CNCCO[C@@H]1CCCCO1 ZINC001608834279 1351774449 /nfs/dbraw/zinc/77/44/49/1351774449.db2.gz GVLNCJNLYVKAFW-GFCCVEGCSA-N -1 1 348.193 2.373 20 0 EEADMM O=C([O-])c1cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)cc2[nH]ccc21 ZINC001608853329 1351779092 /nfs/dbraw/zinc/77/90/92/1351779092.db2.gz GUAHLUTUEUSBKO-SNVBAGLBSA-N -1 1 325.328 2.043 20 0 EEADMM O=C([O-])c1ccc(C(=O)OCC2CC[NH+](Cc3ccco3)CC2)[n-]1 ZINC001608876883 1351784553 /nfs/dbraw/zinc/78/45/53/1351784553.db2.gz NENAGMFRAMJUBP-UHFFFAOYSA-N -1 1 332.356 2.375 20 0 EEADMM O=C([O-])c1ccc(CNCc2ncc(Br)cc2O)o1 ZINC001608887114 1351787236 /nfs/dbraw/zinc/78/72/36/1351787236.db2.gz BOQVUMNUCFLVBA-UHFFFAOYSA-N -1 1 327.134 2.131 20 0 EEADMM CC(=O)Nc1nc(C(=O)[N-]c2nnc(-c3ccncc3)s2)cs1 ZINC001319241192 1332669836 /nfs/dbraw/zinc/66/98/36/1332669836.db2.gz XFTNMIDEMGVWJM-UHFFFAOYSA-N -1 1 346.397 2.267 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1CCc2cn[nH]c2C1 ZINC001608927735 1351796275 /nfs/dbraw/zinc/79/62/75/1351796275.db2.gz CINBEEFAVSBAQA-UHFFFAOYSA-N -1 1 336.189 2.429 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2C)c(C)c1 ZINC001320278065 1332855484 /nfs/dbraw/zinc/85/54/84/1332855484.db2.gz QXHSCQFZTCVSDI-UHFFFAOYSA-N -1 1 343.408 2.378 20 0 EEADMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320900001 1332974300 /nfs/dbraw/zinc/97/43/00/1332974300.db2.gz ZVMOHCPRHNQYBF-QMMMGPOBSA-N -1 1 341.260 2.464 20 0 EEADMM CN(Cc1ccc2c(c1)nnn2C)Cc1nc(=O)c2sccc2[n-]1 ZINC001321228701 1333049748 /nfs/dbraw/zinc/04/97/48/1333049748.db2.gz FTVYRRUNZMFXPT-UHFFFAOYSA-N -1 1 340.412 2.311 20 0 EEADMM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001321844112 1333166547 /nfs/dbraw/zinc/16/65/47/1333166547.db2.gz BIIDIMNTRLIPQW-BDAKNGLRSA-N -1 1 339.244 2.339 20 0 EEADMM CC(C)c1cc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)no1 ZINC001609104324 1351844664 /nfs/dbraw/zinc/84/46/64/1351844664.db2.gz HINFQOUJQPAXQO-UHFFFAOYSA-N -1 1 339.768 2.340 20 0 EEADMM CC(C)n1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001609107616 1351845650 /nfs/dbraw/zinc/84/56/50/1351845650.db2.gz TVGXVMUNGQPJFR-UHFFFAOYSA-N -1 1 338.784 2.006 20 0 EEADMM CC(C)c1nc(C(=O)OCc2cccnc2-c2nnn[n-]2)cs1 ZINC001609106433 1351845669 /nfs/dbraw/zinc/84/56/69/1351845669.db2.gz WONMPTRDWYAJQB-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1nc(C(=O)OCc2cccnc2-c2nn[n-]n2)cs1 ZINC001609106433 1351845673 /nfs/dbraw/zinc/84/56/73/1351845673.db2.gz WONMPTRDWYAJQB-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001609115856 1351850350 /nfs/dbraw/zinc/85/03/50/1351850350.db2.gz NMDBUORCGNEMDQ-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001609115856 1351850351 /nfs/dbraw/zinc/85/03/51/1351850351.db2.gz NMDBUORCGNEMDQ-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@]12CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@H]1C2(F)F ZINC001609151322 1351863736 /nfs/dbraw/zinc/86/37/36/1351863736.db2.gz IIMMGJOISDIBRK-SKDRFNHKSA-N -1 1 325.344 2.046 20 0 EEADMM C[C@]12CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]1C2(F)F ZINC001609151322 1351863739 /nfs/dbraw/zinc/86/37/39/1351863739.db2.gz IIMMGJOISDIBRK-SKDRFNHKSA-N -1 1 325.344 2.046 20 0 EEADMM CCN(CC(C)(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609221804 1351899844 /nfs/dbraw/zinc/89/98/44/1351899844.db2.gz WLZFXLAWUYOZSO-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609223665 1351900658 /nfs/dbraw/zinc/90/06/58/1351900658.db2.gz FDVCDWDQXLFHQF-UHFFFAOYSA-N -1 1 337.387 2.360 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609223665 1351900659 /nfs/dbraw/zinc/90/06/59/1351900659.db2.gz FDVCDWDQXLFHQF-UHFFFAOYSA-N -1 1 337.387 2.360 20 0 EEADMM CCOc1ncccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609246867 1351907441 /nfs/dbraw/zinc/90/74/41/1351907441.db2.gz ICGAAZXXZKVSMB-UHFFFAOYSA-N -1 1 337.796 2.382 20 0 EEADMM CCOc1ncccc1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609246867 1351907444 /nfs/dbraw/zinc/90/74/44/1351907444.db2.gz ICGAAZXXZKVSMB-UHFFFAOYSA-N -1 1 337.796 2.382 20 0 EEADMM COc1cccc(CN(CC(C)C)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609361502 1351946714 /nfs/dbraw/zinc/94/67/14/1351946714.db2.gz DODLHQPXZGHCRV-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM COc1cccc(CN(CC(C)C)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609361502 1351946717 /nfs/dbraw/zinc/94/67/17/1351946717.db2.gz DODLHQPXZGHCRV-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1O ZINC000007422229 1351949528 /nfs/dbraw/zinc/94/95/28/1351949528.db2.gz OWVNWXNFWIYGBY-UHFFFAOYSA-N -1 1 336.369 2.160 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCCOc2ccccc2C)n1 ZINC001609391247 1351957095 /nfs/dbraw/zinc/95/70/95/1351957095.db2.gz ARIBRFQAZFWQDD-UHFFFAOYSA-N -1 1 339.403 2.179 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCCOc2ccccc2C)n1 ZINC001609391247 1351957096 /nfs/dbraw/zinc/95/70/96/1351957096.db2.gz ARIBRFQAZFWQDD-UHFFFAOYSA-N -1 1 339.403 2.179 20 0 EEADMM Cc1ccc(N2CCC(C3CCOCC3)CC2)nc1-c1nnn[n-]1 ZINC001609424737 1351971564 /nfs/dbraw/zinc/97/15/64/1351971564.db2.gz FPGFTPNHSAVANL-UHFFFAOYSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccc(N2CCC(C3CCOCC3)CC2)nc1-c1nn[n-]n1 ZINC001609424737 1351971566 /nfs/dbraw/zinc/97/15/66/1351971566.db2.gz FPGFTPNHSAVANL-UHFFFAOYSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001609436276 1351976381 /nfs/dbraw/zinc/97/63/81/1351976381.db2.gz YZMWCWIBJAQIAM-MRXNPFEDSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001609436276 1351976384 /nfs/dbraw/zinc/97/63/84/1351976384.db2.gz YZMWCWIBJAQIAM-MRXNPFEDSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609448727 1351981551 /nfs/dbraw/zinc/98/15/51/1351981551.db2.gz BETWTPLAWSGRDW-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1nc(C(F)(F)F)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609448727 1351981555 /nfs/dbraw/zinc/98/15/55/1351981555.db2.gz BETWTPLAWSGRDW-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001609449813 1351982271 /nfs/dbraw/zinc/98/22/71/1351982271.db2.gz RZVULVCKHLAYDT-VIFPVBQESA-N -1 1 343.416 2.168 20 0 EEADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001609449813 1351982273 /nfs/dbraw/zinc/98/22/73/1351982273.db2.gz RZVULVCKHLAYDT-VIFPVBQESA-N -1 1 343.416 2.168 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H](C)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC001609444177 1351979875 /nfs/dbraw/zinc/97/98/75/1351979875.db2.gz NXGMWUBTVBBBQB-VIFPVBQESA-N -1 1 343.366 2.245 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3ccnc(-c4nnn[n-]4)c3)C2)c1 ZINC001609473995 1351990842 /nfs/dbraw/zinc/99/08/42/1351990842.db2.gz ZOACHLBNPYDUTC-ZDUSSCGKSA-N -1 1 341.806 2.028 20 0 EEADMM Clc1cccc(N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)c3)C2)c1 ZINC001609473995 1351990845 /nfs/dbraw/zinc/99/08/45/1351990845.db2.gz ZOACHLBNPYDUTC-ZDUSSCGKSA-N -1 1 341.806 2.028 20 0 EEADMM O=C(NCc1ccc2ccccc2c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609555407 1352015460 /nfs/dbraw/zinc/01/54/60/1352015460.db2.gz DRBCMCXUENWMCB-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1ccc2ccccc2c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609555407 1352015463 /nfs/dbraw/zinc/01/54/63/1352015463.db2.gz DRBCMCXUENWMCB-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc(Cl)cc1F ZINC001609577227 1352023787 /nfs/dbraw/zinc/02/37/87/1352023787.db2.gz FHDDGHGXQINZIS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc(Cl)cc1F ZINC001609577227 1352023792 /nfs/dbraw/zinc/02/37/92/1352023792.db2.gz FHDDGHGXQINZIS-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001609607573 1352034584 /nfs/dbraw/zinc/03/45/84/1352034584.db2.gz HENOYANZISDUNA-ZJUUUORDSA-N -1 1 348.819 2.289 20 0 EEADMM O[C@@H]1C[C@@H](c2ccccc2)N(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001609607573 1352034587 /nfs/dbraw/zinc/03/45/87/1352034587.db2.gz HENOYANZISDUNA-ZJUUUORDSA-N -1 1 348.819 2.289 20 0 EEADMM C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC(CC(=O)[O-])CC1 ZINC001609635302 1352046853 /nfs/dbraw/zinc/04/68/53/1352046853.db2.gz VAJXFWUJWKYNQF-XJKSGUPXSA-N -1 1 346.427 2.202 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC001609664967 1352053807 /nfs/dbraw/zinc/05/38/07/1352053807.db2.gz NFSQRDSWZNXQAL-VHSXEESVSA-N -1 1 340.342 2.239 20 0 EEADMM CC(C)(C)c1nnc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])[nH]1 ZINC001609671926 1352055302 /nfs/dbraw/zinc/05/53/02/1352055302.db2.gz XTMNRGODXBQECI-LLVKDONJSA-N -1 1 348.428 2.078 20 0 EEADMM COC1(OC)CC(CNC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001336827851 1336601078 /nfs/dbraw/zinc/60/10/78/1336601078.db2.gz DBISCZBCPZYTFD-UHFFFAOYSA-N -1 1 331.368 2.380 20 0 EEADMM CC[C@H](C(=O)[O-])N1CCC(O)(c2scnc2Br)CC1 ZINC001609889496 1352112075 /nfs/dbraw/zinc/11/20/75/1352112075.db2.gz GQODWPOBLPUWPC-MRVPVSSYSA-N -1 1 349.250 2.052 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC001609899862 1352114517 /nfs/dbraw/zinc/11/45/17/1352114517.db2.gz MTXASDXMOHTJRT-SCLBCKFNSA-N -1 1 348.443 2.187 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(N)=O)c3)cc2o1 ZINC001342990213 1337325845 /nfs/dbraw/zinc/32/58/45/1337325845.db2.gz SHWLZQSVNOBNJN-UHFFFAOYSA-N -1 1 331.353 2.036 20 0 EEADMM CCCCN(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001609967864 1352132552 /nfs/dbraw/zinc/13/25/52/1352132552.db2.gz CIDSDUFDOPPKSR-NSHDSACASA-N -1 1 336.388 2.230 20 0 EEADMM O=C(c1cc2c(cncc2Cl)s1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347975401 1337529142 /nfs/dbraw/zinc/52/91/42/1337529142.db2.gz SSBFZJDSXVQTCE-SSDOTTSWSA-N -1 1 334.792 2.093 20 0 EEADMM CON(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCOC1 ZINC001349225492 1337611513 /nfs/dbraw/zinc/61/15/13/1337611513.db2.gz SOYAPYCYXJCYSW-JTQLQIEISA-N -1 1 338.795 2.338 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC001610078032 1352156989 /nfs/dbraw/zinc/15/69/89/1352156989.db2.gz SOMSQWPVNBCSRH-UHFFFAOYSA-N -1 1 339.325 2.070 20 0 EEADMM COC(=O)c1ccc(CN[C@](C)(CC(=O)[O-])c2ccccn2)cc1F ZINC001610209161 1352186113 /nfs/dbraw/zinc/18/61/13/1352186113.db2.gz CRYUNLSWOIAMPA-GOSISDBHSA-N -1 1 346.358 2.487 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c(CO)c1 ZINC001200509320 1338376874 /nfs/dbraw/zinc/37/68/74/1338376874.db2.gz FSAAAMBXWHOOGJ-UHFFFAOYSA-N -1 1 341.360 2.136 20 0 EEADMM COCc1cc(NC(=O)N2CCN(CC(C)C)CC2)cc(C(=O)[O-])c1 ZINC001610269936 1352197319 /nfs/dbraw/zinc/19/73/19/1352197319.db2.gz JNVNXLJEENFBCP-UHFFFAOYSA-N -1 1 349.431 2.337 20 0 EEADMM Cc1cc(CC(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)n[nH]1 ZINC001610459852 1352226139 /nfs/dbraw/zinc/22/61/39/1352226139.db2.gz WUJRYXSLTXCFIA-ZDUSSCGKSA-N -1 1 326.711 2.422 20 0 EEADMM Cc1ccn2cc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)nc2c1 ZINC001610534823 1352240731 /nfs/dbraw/zinc/24/07/31/1352240731.db2.gz KANNTDDYTPQTND-UHFFFAOYSA-N -1 1 335.323 2.470 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN[C@H](CCCO)c2ccccc2)cc1 ZINC001610666933 1352259054 /nfs/dbraw/zinc/25/90/54/1352259054.db2.gz OSNAGZJLMTZFFB-QGZVFWFLSA-N -1 1 342.395 2.427 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC001610831350 1352281902 /nfs/dbraw/zinc/28/19/02/1352281902.db2.gz YARUQGUSDYDWJE-HNNXBMFYSA-N -1 1 338.835 2.335 20 0 EEADMM O=C([O-])c1ccccc1CCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC001610851541 1352285443 /nfs/dbraw/zinc/28/54/43/1352285443.db2.gz ATJPUCHXBCXZGW-KRWDZBQOSA-N -1 1 342.395 2.301 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001431202847 1340500472 /nfs/dbraw/zinc/50/04/72/1340500472.db2.gz FEUUYRRJBQZQSR-QWHCGFSZSA-N -1 1 333.432 2.048 20 0 EEADMM CCCN(CCNC(=O)c1cc(C)c(C)o1)C(=O)c1ncccc1[O-] ZINC001431802562 1340736138 /nfs/dbraw/zinc/73/61/38/1340736138.db2.gz ZVGCNHDPUTZVPX-UHFFFAOYSA-N -1 1 345.399 2.279 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001432905653 1341432292 /nfs/dbraw/zinc/43/22/92/1341432292.db2.gz XTGDVTDQQUQXJY-JOCQHMNTSA-N -1 1 333.432 2.381 20 0 EEADMM C[C@H]1C[C@H]1C(=O)N(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001433058399 1341484209 /nfs/dbraw/zinc/48/42/09/1341484209.db2.gz ZIFVVEWQSMJQGQ-DZGCQCFKSA-N -1 1 345.443 2.144 20 0 EEADMM CCCc1ccc(C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001433389852 1341580157 /nfs/dbraw/zinc/58/01/57/1341580157.db2.gz OWPXAFAWIOFKPA-CYBMUJFWSA-N -1 1 341.411 2.288 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC001433617213 1341639281 /nfs/dbraw/zinc/63/92/81/1341639281.db2.gz PCSWPMMZIPZAFD-UHFFFAOYSA-N -1 1 328.368 2.284 20 0 EEADMM COCC[C@H](NC(=O)c1cnc(SC)[n-]c1=O)c1ccc(C)o1 ZINC001433882450 1341711545 /nfs/dbraw/zinc/71/15/45/1341711545.db2.gz RYSWBHZGJRRNHO-NSHDSACASA-N -1 1 337.401 2.313 20 0 EEADMM CCOC(=O)C1(C[N-]S(=O)(=O)c2cc(F)ccc2F)CCCC1 ZINC001434642833 1341896556 /nfs/dbraw/zinc/89/65/56/1341896556.db2.gz NQMDPJUTGGDWJZ-UHFFFAOYSA-N -1 1 347.383 2.367 20 0 EEADMM COCc1ncc(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)s1 ZINC001436388320 1342065910 /nfs/dbraw/zinc/06/59/10/1342065910.db2.gz YSTCXBWFXMMPLW-UHFFFAOYSA-N -1 1 329.385 2.431 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001576927425 1344076230 /nfs/dbraw/zinc/07/62/30/1344076230.db2.gz WXOPMKGXHDIRFZ-CQSZACIVSA-N -1 1 340.362 2.152 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001576927425 1344076234 /nfs/dbraw/zinc/07/62/34/1344076234.db2.gz WXOPMKGXHDIRFZ-CQSZACIVSA-N -1 1 340.362 2.152 20 0 EEADMM CCO[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC001578268937 1344256880 /nfs/dbraw/zinc/25/68/80/1344256880.db2.gz OVPHZZZELNVRPF-ZDUSSCGKSA-N -1 1 335.433 2.140 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001579466249 1344385547 /nfs/dbraw/zinc/38/55/47/1344385547.db2.gz JSHYLZXCNIDZFD-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COC(=O)Nc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001579466249 1344385550 /nfs/dbraw/zinc/38/55/50/1344385550.db2.gz JSHYLZXCNIDZFD-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COc1c(C)cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001579875258 1344424068 /nfs/dbraw/zinc/42/40/68/1344424068.db2.gz UXVDLJUAWDRLOB-UHFFFAOYSA-N -1 1 338.371 2.164 20 0 EEADMM COc1c(C)cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001579875258 1344424070 /nfs/dbraw/zinc/42/40/70/1344424070.db2.gz UXVDLJUAWDRLOB-UHFFFAOYSA-N -1 1 338.371 2.164 20 0 EEADMM COc1cc(Cl)cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001579929685 1344433783 /nfs/dbraw/zinc/43/37/83/1344433783.db2.gz XLTLEZIGQFTKJK-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1cc(Cl)cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001579929685 1344433787 /nfs/dbraw/zinc/43/37/87/1344433787.db2.gz XLTLEZIGQFTKJK-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001580049724 1344458840 /nfs/dbraw/zinc/45/88/40/1344458840.db2.gz PFQDRJZFLVHKAK-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001580049724 1344458845 /nfs/dbraw/zinc/45/88/45/1344458845.db2.gz PFQDRJZFLVHKAK-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580085855 1344469241 /nfs/dbraw/zinc/46/92/41/1344469241.db2.gz UEZCACNNWOWMKU-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580085855 1344469244 /nfs/dbraw/zinc/46/92/44/1344469244.db2.gz UEZCACNNWOWMKU-JTQLQIEISA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccnc(CNc2snc(Cl)c2-c2nnn[n-]2)c1F ZINC001580094982 1344470954 /nfs/dbraw/zinc/47/09/54/1344470954.db2.gz CIGGYPWOZQFVFF-UHFFFAOYSA-N -1 1 341.759 2.131 20 0 EEADMM COc1ccnc(CNc2snc(Cl)c2-c2nn[n-]n2)c1F ZINC001580094982 1344470955 /nfs/dbraw/zinc/47/09/55/1344470955.db2.gz CIGGYPWOZQFVFF-UHFFFAOYSA-N -1 1 341.759 2.131 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@@H]1CCCC(C)(C)C1 ZINC001580602143 1344541679 /nfs/dbraw/zinc/54/16/79/1344541679.db2.gz DMKBQUOMMCYDTJ-LLVKDONJSA-N -1 1 344.419 2.222 20 0 EEADMM Cc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc(C)c1OC(F)F ZINC001580887433 1344568932 /nfs/dbraw/zinc/56/89/32/1344568932.db2.gz QGVHZHKPNKQAJQ-UHFFFAOYSA-N -1 1 349.301 2.060 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001581258256 1344607704 /nfs/dbraw/zinc/60/77/04/1344607704.db2.gz GLLYFTPKTUCFTA-GFCCVEGCSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001581258256 1344607708 /nfs/dbraw/zinc/60/77/08/1344607708.db2.gz GLLYFTPKTUCFTA-GFCCVEGCSA-N -1 1 337.387 2.323 20 0 EEADMM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001581259573 1344608539 /nfs/dbraw/zinc/60/85/39/1344608539.db2.gz FIJYLZYCYCOTLY-GFCCVEGCSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001581259573 1344608542 /nfs/dbraw/zinc/60/85/42/1344608542.db2.gz FIJYLZYCYCOTLY-GFCCVEGCSA-N -1 1 338.371 2.114 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001582583826 1344766389 /nfs/dbraw/zinc/76/63/89/1344766389.db2.gz NLDNIKJTTFWGJH-IINYFYTJSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001582583826 1344766392 /nfs/dbraw/zinc/76/63/92/1344766392.db2.gz NLDNIKJTTFWGJH-IINYFYTJSA-N -1 1 340.774 2.201 20 0 EEADMM c1ccc(-c2nnn(COC3CCCCC3)c2-c2nn[n-]n2)cc1 ZINC001582818120 1344797679 /nfs/dbraw/zinc/79/76/79/1344797679.db2.gz CSHOKVNYDFGDPR-UHFFFAOYSA-N -1 1 325.376 2.432 20 0 EEADMM CC(C)(C)OC(=O)C(C)(C)CCNc1cccnc1-c1nnn[n-]1 ZINC001589145006 1348965644 /nfs/dbraw/zinc/96/56/44/1348965644.db2.gz CJTWCBVSDMMONS-UHFFFAOYSA-N -1 1 332.408 2.432 20 0 EEADMM CC(C)(C)OC(=O)C(C)(C)CCNc1cccnc1-c1nn[n-]n1 ZINC001589145006 1348965645 /nfs/dbraw/zinc/96/56/45/1348965645.db2.gz CJTWCBVSDMMONS-UHFFFAOYSA-N -1 1 332.408 2.432 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589164352 1348966484 /nfs/dbraw/zinc/96/64/84/1348966484.db2.gz WKMXIMCNVIPTQN-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589164352 1348966486 /nfs/dbraw/zinc/96/64/86/1348966486.db2.gz WKMXIMCNVIPTQN-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CC(SCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589161714 1348967194 /nfs/dbraw/zinc/96/71/94/1348967194.db2.gz LDBUZQUTLINMDG-UHFFFAOYSA-N -1 1 348.432 2.114 20 0 EEADMM CC(C)(C)OC(=O)N1CC(SCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589161714 1348967196 /nfs/dbraw/zinc/96/71/96/1348967196.db2.gz LDBUZQUTLINMDG-UHFFFAOYSA-N -1 1 348.432 2.114 20 0 EEADMM CC(C)(C)c1csc(CNC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001589235959 1348973204 /nfs/dbraw/zinc/97/32/04/1348973204.db2.gz RHLZEXDBAZSWLK-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)(C)c1csc(CNC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001589235959 1348973207 /nfs/dbraw/zinc/97/32/07/1348973207.db2.gz RHLZEXDBAZSWLK-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)(C)c1csc(CNCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001589236197 1348973720 /nfs/dbraw/zinc/97/37/20/1348973720.db2.gz YMZBWOCMMFWYTD-UHFFFAOYSA-N -1 1 335.462 2.367 20 0 EEADMM CC(C)(C)c1csc(CNCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001589236197 1348973721 /nfs/dbraw/zinc/97/37/21/1348973721.db2.gz YMZBWOCMMFWYTD-UHFFFAOYSA-N -1 1 335.462 2.367 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)C1CCC1 ZINC001589282885 1348978563 /nfs/dbraw/zinc/97/85/63/1348978563.db2.gz DONFPNIKHDWZGC-UHFFFAOYSA-N -1 1 334.811 2.471 20 0 EEADMM CC(C)[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCO1 ZINC001589518219 1348999608 /nfs/dbraw/zinc/99/96/08/1348999608.db2.gz QYIQGMWHRSVAQJ-NSHDSACASA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)[C@@H]1CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCO1 ZINC001589518219 1348999611 /nfs/dbraw/zinc/99/96/11/1348999611.db2.gz QYIQGMWHRSVAQJ-NSHDSACASA-N -1 1 342.325 2.142 20 0 EEADMM CC(C)CCOCCn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001589606711 1349009980 /nfs/dbraw/zinc/00/99/80/1349009980.db2.gz DDPFKLWDQUZGKP-UHFFFAOYSA-N -1 1 345.325 2.110 20 0 EEADMM CC(C)CN(CC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589620086 1349012227 /nfs/dbraw/zinc/01/22/27/1349012227.db2.gz XEVYYDQMDUMNFP-UHFFFAOYSA-N -1 1 341.437 2.153 20 0 EEADMM CC(C)Oc1ccc(CCNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001589753922 1349030444 /nfs/dbraw/zinc/03/04/44/1349030444.db2.gz JJCFULSGTTZFGP-UHFFFAOYSA-N -1 1 341.371 2.219 20 0 EEADMM CC(C)Oc1ccc(CCNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001589753922 1349030447 /nfs/dbraw/zinc/03/04/47/1349030447.db2.gz JJCFULSGTTZFGP-UHFFFAOYSA-N -1 1 341.371 2.219 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC001589899199 1349057707 /nfs/dbraw/zinc/05/77/07/1349057707.db2.gz GHMSKLTYWKBDPP-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@](Cc1ccccc1)(NC(=O)c1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC001589899199 1349057709 /nfs/dbraw/zinc/05/77/09/1349057709.db2.gz GHMSKLTYWKBDPP-LJQANCHMSA-N -1 1 348.410 2.403 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC001589949389 1349073457 /nfs/dbraw/zinc/07/34/57/1349073457.db2.gz YYICWFCPBUZFIP-QMMMGPOBSA-N -1 1 325.319 2.404 20 0 EEADMM C[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC001589949389 1349073459 /nfs/dbraw/zinc/07/34/59/1349073459.db2.gz YYICWFCPBUZFIP-QMMMGPOBSA-N -1 1 325.319 2.404 20 0 EEADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cc2cnccc2o1 ZINC001589972976 1349087309 /nfs/dbraw/zinc/08/73/09/1349087309.db2.gz VVBMPZGDRWBQJX-MRVPVSSYSA-N -1 1 327.373 2.315 20 0 EEADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cc2cnccc2o1 ZINC001589972976 1349087313 /nfs/dbraw/zinc/08/73/13/1349087313.db2.gz VVBMPZGDRWBQJX-MRVPVSSYSA-N -1 1 327.373 2.315 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590094573 1349150767 /nfs/dbraw/zinc/15/07/67/1349150767.db2.gz CHWCRUANKMYAHY-GFCCVEGCSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)C1 ZINC001590225140 1349211422 /nfs/dbraw/zinc/21/14/22/1349211422.db2.gz YHYKYOIYSUZBQD-VXGBXAGGSA-N -1 1 346.460 2.013 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)CC2(CCCCC2)O1 ZINC001590299717 1349251419 /nfs/dbraw/zinc/25/14/19/1349251419.db2.gz HGHGQCMKMUQAPH-LLVKDONJSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)CC2(CCCCC2)O1 ZINC001590299717 1349251424 /nfs/dbraw/zinc/25/14/24/1349251424.db2.gz HGHGQCMKMUQAPH-LLVKDONJSA-N -1 1 347.444 2.492 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC2(CCCC2)O1 ZINC001590313515 1349259714 /nfs/dbraw/zinc/25/97/14/1349259714.db2.gz VSXCLKPDGRGSHA-JTQLQIEISA-N -1 1 334.811 2.453 20 0 EEADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC2(CCCC2)O1 ZINC001590313515 1349259718 /nfs/dbraw/zinc/25/97/18/1349259718.db2.gz VSXCLKPDGRGSHA-JTQLQIEISA-N -1 1 334.811 2.453 20 0 EEADMM CC[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1c(C)noc1C ZINC001590368397 1349286972 /nfs/dbraw/zinc/28/69/72/1349286972.db2.gz ARQUGHSRQVLFBO-LLVKDONJSA-N -1 1 346.416 2.343 20 0 EEADMM CCCN(C(=O)c1ccsn1)c1snc(C)c1-c1nnn[n-]1 ZINC001590617573 1349376592 /nfs/dbraw/zinc/37/65/92/1349376592.db2.gz ADNNXISGBVWEDS-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCCN(C(=O)c1ccsn1)c1snc(C)c1-c1nn[n-]n1 ZINC001590617573 1349376599 /nfs/dbraw/zinc/37/65/99/1349376599.db2.gz ADNNXISGBVWEDS-UHFFFAOYSA-N -1 1 335.418 2.145 20 0 EEADMM CCOC(=O)[C@](C)(NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001590749654 1349395248 /nfs/dbraw/zinc/39/52/48/1349395248.db2.gz KRKVYFDFEVSCNE-QGZVFWFLSA-N -1 1 341.371 2.028 20 0 EEADMM CCOC(=O)[C@](C)(NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001590749654 1349395251 /nfs/dbraw/zinc/39/52/51/1349395251.db2.gz KRKVYFDFEVSCNE-QGZVFWFLSA-N -1 1 341.371 2.028 20 0 EEADMM CCc1nc(NCCc2ccc3[nH]ccc3c2)cc(-c2nnn[n-]2)n1 ZINC001590922736 1349412699 /nfs/dbraw/zinc/41/26/99/1349412699.db2.gz XKNLXOIWFOUWEI-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1nc(NCCc2ccc3[nH]ccc3c2)cc(-c2nn[n-]n2)n1 ZINC001590922736 1349412706 /nfs/dbraw/zinc/41/27/06/1349412706.db2.gz XKNLXOIWFOUWEI-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CN(C(=O)c1cc2c(s1)CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001590991691 1349429083 /nfs/dbraw/zinc/42/90/83/1349429083.db2.gz AJDXKKSTOYJGDZ-UHFFFAOYSA-N -1 1 326.385 2.089 20 0 EEADMM CN(C(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001590991691 1349429086 /nfs/dbraw/zinc/42/90/86/1349429086.db2.gz AJDXKKSTOYJGDZ-UHFFFAOYSA-N -1 1 326.385 2.089 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001591336077 1349463420 /nfs/dbraw/zinc/46/34/20/1349463420.db2.gz NGCNHZFIAPGANH-BMIGLBTASA-N -1 1 328.351 2.011 20 0 EEADMM CO[C@H](c1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001591336077 1349463421 /nfs/dbraw/zinc/46/34/21/1349463421.db2.gz NGCNHZFIAPGANH-BMIGLBTASA-N -1 1 328.351 2.011 20 0 EEADMM COC[C@H](c1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001591384394 1349478410 /nfs/dbraw/zinc/47/84/10/1349478410.db2.gz YEBZEYZLYRZLGZ-GFCCVEGCSA-N -1 1 345.794 2.134 20 0 EEADMM COc1cc(CN(C)c2snc(Cl)c2-c2nnn[n-]2)sn1 ZINC001591525333 1349497908 /nfs/dbraw/zinc/49/79/08/1349497908.db2.gz GHIIUHCZMMCXJI-UHFFFAOYSA-N -1 1 343.825 2.078 20 0 EEADMM COc1cc(CN(C)c2snc(Cl)c2-c2nn[n-]n2)sn1 ZINC001591525333 1349497917 /nfs/dbraw/zinc/49/79/17/1349497917.db2.gz GHIIUHCZMMCXJI-UHFFFAOYSA-N -1 1 343.825 2.078 20 0 EEADMM COc1ccc(Cl)cc1Cn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001591604750 1349513819 /nfs/dbraw/zinc/51/38/19/1349513819.db2.gz DFFZBBHLDIFAMU-UHFFFAOYSA-N -1 1 329.751 2.026 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC001592032052 1349586533 /nfs/dbraw/zinc/58/65/33/1349586533.db2.gz UFMAOGOXVPFMNN-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1cc(NC(=O)c2coc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC001592032052 1349586538 /nfs/dbraw/zinc/58/65/38/1349586538.db2.gz UFMAOGOXVPFMNN-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1ccoc1CN(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592282142 1349616282 /nfs/dbraw/zinc/61/62/82/1349616282.db2.gz NLMKTISBPSBOOW-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Cc1ccoc1CN(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592282142 1349616286 /nfs/dbraw/zinc/61/62/86/1349616286.db2.gz NLMKTISBPSBOOW-UHFFFAOYSA-N -1 1 333.298 2.319 20 0 EEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592427816 1349629662 /nfs/dbraw/zinc/62/96/62/1349629662.db2.gz UHIKVOIPVNWNDO-UHFFFAOYSA-N -1 1 338.274 2.025 20 0 EEADMM Cc1nn(C(F)F)c(C)c1COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592427816 1349629664 /nfs/dbraw/zinc/62/96/64/1349629664.db2.gz UHIKVOIPVNWNDO-UHFFFAOYSA-N -1 1 338.274 2.025 20 0 EEADMM Cc1nsc(N2Cc3ccccc3O[C@H](C)C2)c1-c1nn[n-]n1 ZINC001592476794 1349635967 /nfs/dbraw/zinc/63/59/67/1349635967.db2.gz DPFZLIUETBAVOZ-SECBINFHSA-N -1 1 328.401 2.419 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001592495368 1349637247 /nfs/dbraw/zinc/63/72/47/1349637247.db2.gz LNKDNWTZKMTFBS-UHFFFAOYSA-N -1 1 346.310 2.428 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001592495368 1349637248 /nfs/dbraw/zinc/63/72/48/1349637248.db2.gz LNKDNWTZKMTFBS-UHFFFAOYSA-N -1 1 346.310 2.428 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H](CF)COc1ccccc1 ZINC001592502244 1349638099 /nfs/dbraw/zinc/63/80/99/1349638099.db2.gz QVZAQRRFLPDFQV-GFCCVEGCSA-N -1 1 346.318 2.342 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H](CF)COc1ccccc1 ZINC001592502244 1349638100 /nfs/dbraw/zinc/63/81/00/1349638100.db2.gz QVZAQRRFLPDFQV-GFCCVEGCSA-N -1 1 346.318 2.342 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC001592502479 1349638224 /nfs/dbraw/zinc/63/82/24/1349638224.db2.gz SXJGZEIATSITGP-PSASIEDQSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]([C@H]1CCCO1)C(F)(F)F ZINC001592502479 1349638226 /nfs/dbraw/zinc/63/82/26/1349638226.db2.gz SXJGZEIATSITGP-PSASIEDQSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(OC(F)F)nc1 ZINC001592503880 1349640106 /nfs/dbraw/zinc/64/01/06/1349640106.db2.gz XNBBORJOZDKKNL-UHFFFAOYSA-N -1 1 336.258 2.017 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(OC(F)F)nc1 ZINC001592503880 1349640109 /nfs/dbraw/zinc/64/01/09/1349640109.db2.gz XNBBORJOZDKKNL-UHFFFAOYSA-N -1 1 336.258 2.017 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C2OCCO2)c1 ZINC001592502851 1349640192 /nfs/dbraw/zinc/64/01/92/1349640192.db2.gz LAFHNQMAVCTMAY-UHFFFAOYSA-N -1 1 341.327 2.066 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C2OCCO2)c1 ZINC001592502851 1349640193 /nfs/dbraw/zinc/64/01/93/1349640193.db2.gz LAFHNQMAVCTMAY-UHFFFAOYSA-N -1 1 341.327 2.066 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc3c(c2)CCCC3)c1-c1nnn[n-]1 ZINC001592516450 1349644387 /nfs/dbraw/zinc/64/43/87/1349644387.db2.gz LKHSKHQRJRZDDW-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc3c(c2)CCCC3)c1-c1nn[n-]n1 ZINC001592516450 1349644388 /nfs/dbraw/zinc/64/43/88/1349644388.db2.gz LKHSKHQRJRZDDW-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM Clc1cc2c(c(CNc3cccnc3-c3nnn[n-]3)c1)OCC2 ZINC001592527430 1349648059 /nfs/dbraw/zinc/64/80/59/1349648059.db2.gz QLRIBXHCDADIHI-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1cc2c(c(CNc3cccnc3-c3nn[n-]n3)c1)OCC2 ZINC001592527430 1349648060 /nfs/dbraw/zinc/64/80/60/1349648060.db2.gz QLRIBXHCDADIHI-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1ccc(N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001592531978 1349649048 /nfs/dbraw/zinc/64/90/48/1349649048.db2.gz FHKSGHHXXMFTMW-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001592531978 1349649049 /nfs/dbraw/zinc/64/90/49/1349649049.db2.gz FHKSGHHXXMFTMW-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N2CC[C@H](Nc3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001592532214 1349649317 /nfs/dbraw/zinc/64/93/17/1349649317.db2.gz LTCGQKOJOSANBW-NSHDSACASA-N -1 1 342.794 2.001 20 0 EEADMM Cn1ccnc1[C@H]1N(Cc2csc(-c3nn[n-]n3)c2)CC1(C)C ZINC001592585046 1349664032 /nfs/dbraw/zinc/66/40/32/1349664032.db2.gz LJMFSTWZEODHDO-GFCCVEGCSA-N -1 1 329.433 2.245 20 0 EEADMM Fc1cc(F)c2c(c1)CN(Cc1nc(-c3nnn[n-]3)cs1)CC2 ZINC001592641653 1349689111 /nfs/dbraw/zinc/68/91/11/1349689111.db2.gz QBULBKSFRFLOGA-UHFFFAOYSA-N -1 1 334.355 2.160 20 0 EEADMM Fc1cc(F)c2c(c1)CN(Cc1nc(-c3nn[n-]n3)cs1)CC2 ZINC001592641653 1349689113 /nfs/dbraw/zinc/68/91/13/1349689113.db2.gz QBULBKSFRFLOGA-UHFFFAOYSA-N -1 1 334.355 2.160 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)ncn1)CCS2 ZINC001592653355 1349698303 /nfs/dbraw/zinc/69/83/03/1349698303.db2.gz XLSJLRJWZWYHMX-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)ncn1)CCS2 ZINC001592653355 1349698308 /nfs/dbraw/zinc/69/83/08/1349698308.db2.gz XLSJLRJWZWYHMX-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592656574 1349701660 /nfs/dbraw/zinc/70/16/60/1349701660.db2.gz DIXVJKANCSFILZ-GMSGAONNSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@@H]1C[C@H]1Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592656574 1349701665 /nfs/dbraw/zinc/70/16/65/1349701665.db2.gz DIXVJKANCSFILZ-GMSGAONNSA-N -1 1 331.742 2.417 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccsc1-c1nnn[n-]1 ZINC001592950319 1349729681 /nfs/dbraw/zinc/72/96/81/1349729681.db2.gz WGWNMFXPDZJMGE-NEPJUHHUSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001592950319 1349729685 /nfs/dbraw/zinc/72/96/85/1349729685.db2.gz WGWNMFXPDZJMGE-NEPJUHHUSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(-c2nnn[n-]2)o1 ZINC001592966060 1349730723 /nfs/dbraw/zinc/73/07/23/1349730723.db2.gz RNXHFKVKANXSAV-ZLKJLUDKSA-N -1 1 341.758 2.181 20 0 EEADMM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(-c2nn[n-]n2)o1 ZINC001592966060 1349730729 /nfs/dbraw/zinc/73/07/29/1349730729.db2.gz RNXHFKVKANXSAV-ZLKJLUDKSA-N -1 1 341.758 2.181 20 0 EEADMM O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccsc1-c1nnn[n-]1 ZINC001593192343 1349744782 /nfs/dbraw/zinc/74/47/82/1349744782.db2.gz JWWMCUIGXPTOLI-UMSPYCQHSA-N -1 1 341.396 2.268 20 0 EEADMM O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccsc1-c1nn[n-]n1 ZINC001593192343 1349744787 /nfs/dbraw/zinc/74/47/87/1349744787.db2.gz JWWMCUIGXPTOLI-UMSPYCQHSA-N -1 1 341.396 2.268 20 0 EEADMM O=C(Nc1ccccc1Br)c1cccc(-c2nnn[n-]2)n1 ZINC001593253132 1349750581 /nfs/dbraw/zinc/75/05/81/1349750581.db2.gz ZXRXGKJMUXLQGC-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ccccc1Br)c1cccc(-c2nn[n-]n2)n1 ZINC001593253132 1349750583 /nfs/dbraw/zinc/75/05/83/1349750583.db2.gz ZXRXGKJMUXLQGC-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1coc(-c2nnn[n-]2)c1 ZINC001593263453 1349754946 /nfs/dbraw/zinc/75/49/46/1349754946.db2.gz QYCLIUJNIBFBOA-UHFFFAOYSA-N -1 1 328.313 2.429 20 0 EEADMM O=C(Nc1nc(-c2ccco2)cs1)c1coc(-c2nn[n-]n2)c1 ZINC001593263453 1349754947 /nfs/dbraw/zinc/75/49/47/1349754947.db2.gz QYCLIUJNIBFBOA-UHFFFAOYSA-N -1 1 328.313 2.429 20 0 EEADMM O=C([O-])[C@H](NCc1cccc(-c2nn[nH]n2)c1)c1cc(F)ccc1F ZINC001593274876 1349758134 /nfs/dbraw/zinc/75/81/34/1349758134.db2.gz BFCZKKDOVXEIHL-CQSZACIVSA-N -1 1 345.309 2.060 20 0 EEADMM O=C(O[C@@H](c1ccccc1)C(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593306174 1349775828 /nfs/dbraw/zinc/77/58/28/1349775828.db2.gz NOTBLGXXZLNBEA-LBPRGKRZSA-N -1 1 331.282 2.425 20 0 EEADMM O=C(O[C@@H](c1ccccc1)C(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593306174 1349775829 /nfs/dbraw/zinc/77/58/29/1349775829.db2.gz NOTBLGXXZLNBEA-LBPRGKRZSA-N -1 1 331.282 2.425 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cc[nH]c1C1CCC1 ZINC001593308059 1349776499 /nfs/dbraw/zinc/77/64/99/1349776499.db2.gz ZGPJFDCCHZLIIL-UHFFFAOYSA-N -1 1 330.373 2.276 20 0 EEADMM 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/nfs/dbraw/zinc/53/99/25/1350539925.db2.gz PLJLUDHLDKQWJZ-SSDOTTSWSA-N -1 1 326.278 2.491 20 0 EEADMM O=C([O-])c1coc(CNC(=O)c2cccc(C(F)(F)F)c2O)n1 ZINC001602554331 1350545059 /nfs/dbraw/zinc/54/50/59/1350545059.db2.gz CLFLBRDDLPFDRJ-UHFFFAOYSA-N -1 1 330.218 2.027 20 0 EEADMM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC001602628336 1350561361 /nfs/dbraw/zinc/56/13/61/1350561361.db2.gz MHQLQERASGERRS-LJQANCHMSA-N -1 1 335.363 2.431 20 0 EEADMM CC(=O)NCC[C@@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001603045368 1350626803 /nfs/dbraw/zinc/62/68/03/1350626803.db2.gz UEWPXZZUWZUIET-PWSUYJOCSA-N -1 1 325.434 2.141 20 0 EEADMM CC(C)C[C@@H](C)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001603259627 1350673792 /nfs/dbraw/zinc/67/37/92/1350673792.db2.gz NVZRUMLAUUSSPC-GFCCVEGCSA-N -1 1 348.476 2.259 20 0 EEADMM CC(C)Cc1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001603308109 1350684470 /nfs/dbraw/zinc/68/44/70/1350684470.db2.gz VWNLAABTJLQGPC-UHFFFAOYSA-N -1 1 337.383 2.110 20 0 EEADMM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN1CC(C)(C(=O)[O-])C1 ZINC001603385627 1350698779 /nfs/dbraw/zinc/69/87/79/1350698779.db2.gz QPVJOWUKQBHHRD-SNVBAGLBSA-N -1 1 334.363 2.038 20 0 EEADMM CC(C)C[C@@H](C)N(C)C(=O)CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001603767752 1350761268 /nfs/dbraw/zinc/76/12/68/1350761268.db2.gz CUAPUTHBTZBCOA-KDOFPFPSSA-N -1 1 335.448 2.254 20 0 EEADMM C[C@@H]1C[C@H]1CNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001603870291 1350788371 /nfs/dbraw/zinc/78/83/71/1350788371.db2.gz GUMLPUORVFAOHG-BDAKNGLRSA-N -1 1 349.441 2.016 20 0 EEADMM C[C@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@H]1c1ccccc1 ZINC001603910293 1350800191 /nfs/dbraw/zinc/80/01/91/1350800191.db2.gz HSOIWAOEORNJHU-XJKSGUPXSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@H]1c1ccccc1 ZINC001603910293 1350800194 /nfs/dbraw/zinc/80/01/94/1350800194.db2.gz HSOIWAOEORNJHU-XJKSGUPXSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](c2ccccc2)O1 ZINC001603936551 1350807158 /nfs/dbraw/zinc/80/71/58/1350807158.db2.gz SJHPHCGFTYJQPR-RISCZKNCSA-N -1 1 342.428 2.285 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](c2ccccc2)O1 ZINC001603936551 1350807160 /nfs/dbraw/zinc/80/71/60/1350807160.db2.gz SJHPHCGFTYJQPR-RISCZKNCSA-N -1 1 342.428 2.285 20 0 EEADMM CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1nc(C)cs1 ZINC001604050214 1350839712 /nfs/dbraw/zinc/83/97/12/1350839712.db2.gz RNTWRNAUVQNDJT-VIFPVBQESA-N -1 1 344.404 2.299 20 0 EEADMM CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1nc(C)cs1 ZINC001604050214 1350839714 /nfs/dbraw/zinc/83/97/14/1350839714.db2.gz RNTWRNAUVQNDJT-VIFPVBQESA-N -1 1 344.404 2.299 20 0 EEADMM C[C@@](CC(=O)[O-])(NCc1cccc2c1OCCO2)c1cccnc1 ZINC001604091382 1350853537 /nfs/dbraw/zinc/85/35/37/1350853537.db2.gz RBKGXIJBLUNCOV-SFHVURJKSA-N -1 1 328.368 2.333 20 0 EEADMM CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604115598 1350862297 /nfs/dbraw/zinc/86/22/97/1350862297.db2.gz HLPLXIHJPUBOOD-MRXNPFEDSA-N -1 1 348.410 2.168 20 0 EEADMM CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604115598 1350862303 /nfs/dbraw/zinc/86/23/03/1350862303.db2.gz HLPLXIHJPUBOOD-MRXNPFEDSA-N -1 1 348.410 2.168 20 0 EEADMM CCCN(C(=O)CSC(F)F)c1snc(C)c1-c1nn[n-]n1 ZINC001604194472 1350890513 /nfs/dbraw/zinc/89/05/13/1350890513.db2.gz AJXIOSADDDHNKV-UHFFFAOYSA-N -1 1 348.404 2.330 20 0 EEADMM CCCN(C(=O)CSC(F)F)c1snc(C)c1-c1nnn[n-]1 ZINC001604194472 1350890509 /nfs/dbraw/zinc/89/05/09/1350890509.db2.gz AJXIOSADDDHNKV-UHFFFAOYSA-N -1 1 348.404 2.330 20 0 EEADMM CCCOc1cccc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001604233433 1350898782 /nfs/dbraw/zinc/89/87/82/1350898782.db2.gz ZXLDDTIWXVMXOT-UHFFFAOYSA-N -1 1 341.371 2.221 20 0 EEADMM CCCOc1cccc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001604233433 1350898786 /nfs/dbraw/zinc/89/87/86/1350898786.db2.gz ZXLDDTIWXVMXOT-UHFFFAOYSA-N -1 1 341.371 2.221 20 0 EEADMM CC(C)[C@H](N[C@H](C)c1ccccc1OCC(=O)[O-])C(=O)N1CCCC1 ZINC001604357816 1350922852 /nfs/dbraw/zinc/92/28/52/1350922852.db2.gz PZCWANGYFHHPFY-KDOFPFPSSA-N -1 1 348.443 2.448 20 0 EEADMM CCO[C@@]1(C)C[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604441043 1350938289 /nfs/dbraw/zinc/93/82/89/1350938289.db2.gz RQUXQIGOWQNCPC-SKDRFNHKSA-N -1 1 328.298 2.260 20 0 EEADMM CCO[C@@]1(C)C[C@H]1Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604441043 1350938291 /nfs/dbraw/zinc/93/82/91/1350938291.db2.gz RQUXQIGOWQNCPC-SKDRFNHKSA-N -1 1 328.298 2.260 20 0 EEADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604728834 1350993135 /nfs/dbraw/zinc/99/31/35/1350993135.db2.gz DOBSZWMYSFRHEA-JTQLQIEISA-N -1 1 332.795 2.343 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001604766690 1350998981 /nfs/dbraw/zinc/99/89/81/1350998981.db2.gz LBZZNRFSJIBMIP-KFNAQCHYSA-N -1 1 327.384 2.060 20 0 EEADMM COC(=O)[C@@H](C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001604903359 1351028853 /nfs/dbraw/zinc/02/88/53/1351028853.db2.gz XOWFKJXPKBJCKD-JTQLQIEISA-N -1 1 327.344 2.348 20 0 EEADMM COC(=O)[C@@H](C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001604903359 1351028857 /nfs/dbraw/zinc/02/88/57/1351028857.db2.gz XOWFKJXPKBJCKD-JTQLQIEISA-N -1 1 327.344 2.348 20 0 EEADMM COC(=O)c1c(C)sc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604962207 1351040007 /nfs/dbraw/zinc/04/00/07/1351040007.db2.gz MCVYUOKEOOVHPM-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM CC[C@H](NCc1ccc(C(=O)[O-])cn1)C(=O)NCc1cccs1 ZINC001605100188 1351078195 /nfs/dbraw/zinc/07/81/95/1351078195.db2.gz VPEHZZQJHPGORW-AWEZNQCLSA-N -1 1 333.413 2.026 20 0 EEADMM CC[C@H]1CCCCN1C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001605165669 1351092745 /nfs/dbraw/zinc/09/27/45/1351092745.db2.gz DAYNWVLFGJVJRF-KSSFIOAISA-N -1 1 333.432 2.152 20 0 EEADMM COc1ncc(NC(=O)N[C@@H](C)CCC(C)C)cc1-c1nn[n-]n1 ZINC001605347627 1351142476 /nfs/dbraw/zinc/14/24/76/1351142476.db2.gz PPCURCIJSVIAQJ-JTQLQIEISA-N -1 1 333.396 2.217 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)O[C@@H]2CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001605380033 1351149080 /nfs/dbraw/zinc/14/90/80/1351149080.db2.gz AGQNOWUHYWTSJE-DTWKUNHWSA-N -1 1 349.416 2.425 20 0 EEADMM C[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CCCCCC1 ZINC001605404484 1351154489 /nfs/dbraw/zinc/15/44/89/1351154489.db2.gz LSQNIMDYMJOVOB-SNVBAGLBSA-N -1 1 349.464 2.481 20 0 EEADMM C[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CCCCCC1 ZINC001605404484 1351154492 /nfs/dbraw/zinc/15/44/92/1351154492.db2.gz LSQNIMDYMJOVOB-SNVBAGLBSA-N -1 1 349.464 2.481 20 0 EEADMM Cc1c(Br)cc(-c2nn[n-]n2)c(=O)n1CCCCCF ZINC001605469260 1351163939 /nfs/dbraw/zinc/16/39/39/1351163939.db2.gz SLCKMRSYCBUCKG-UHFFFAOYSA-N -1 1 344.188 2.239 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(CC(C)C)cc2)nn1C ZINC001605468417 1351164141 /nfs/dbraw/zinc/16/41/41/1351164141.db2.gz VVAQRKVBZRKCQT-UHFFFAOYSA-N -1 1 339.403 2.359 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(CC(C)C)cc2)nn1C ZINC001605468417 1351164143 /nfs/dbraw/zinc/16/41/43/1351164143.db2.gz VVAQRKVBZRKCQT-UHFFFAOYSA-N -1 1 339.403 2.359 20 0 EEADMM CCOC(=O)c1cc(C)sc1NC(=O)CN[C@](C)(CC)C(=O)[O-] ZINC001605565232 1351191235 /nfs/dbraw/zinc/19/12/35/1351191235.db2.gz HNBUHORXAMUHKF-OAHLLOKOSA-N -1 1 342.417 2.015 20 0 EEADMM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001605826374 1351229611 /nfs/dbraw/zinc/22/96/11/1351229611.db2.gz IQYWFTWNKZKFFF-UHFFFAOYSA-N -1 1 345.399 2.274 20 0 EEADMM Cc1ccc(CC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001605842242 1351233822 /nfs/dbraw/zinc/23/38/22/1351233822.db2.gz SPBQSWIUXDJFGA-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001605842242 1351233825 /nfs/dbraw/zinc/23/38/25/1351233825.db2.gz SPBQSWIUXDJFGA-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC001605842741 1351234073 /nfs/dbraw/zinc/23/40/73/1351234073.db2.gz YXDRAGIHOWZDCL-LBPRGKRZSA-N -1 1 325.372 2.438 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001605842741 1351234074 /nfs/dbraw/zinc/23/40/74/1351234074.db2.gz YXDRAGIHOWZDCL-LBPRGKRZSA-N -1 1 325.372 2.438 20 0 EEADMM CN(CCOC(=O)c1cccc(C(=O)[O-])n1)Cc1ccc(F)cc1 ZINC001606134234 1351277343 /nfs/dbraw/zinc/27/73/43/1351277343.db2.gz REDYIIRKSFVPLD-UHFFFAOYSA-N -1 1 332.331 2.208 20 0 EEADMM Fc1ccc(OCCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001606323300 1351292530 /nfs/dbraw/zinc/29/25/30/1351292530.db2.gz PGHPORMRVFKHGG-UHFFFAOYSA-N -1 1 341.350 2.164 20 0 EEADMM Fc1ccc(OCCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001606323300 1351292531 /nfs/dbraw/zinc/29/25/31/1351292531.db2.gz PGHPORMRVFKHGG-UHFFFAOYSA-N -1 1 341.350 2.164 20 0 EEADMM COC(=O)COc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001606474181 1351307300 /nfs/dbraw/zinc/30/73/00/1351307300.db2.gz PHODIVQHSMFFJU-LLVKDONJSA-N -1 1 333.340 2.380 20 0 EEADMM O=C(C[C@@H]1CCCC1(F)F)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606499347 1351312664 /nfs/dbraw/zinc/31/26/64/1351312664.db2.gz HFJZDVIYCRQWPI-ZETCQYMHSA-N -1 1 329.332 2.192 20 0 EEADMM O=C(C[C@@H]1CCCC1(F)F)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606499347 1351312665 /nfs/dbraw/zinc/31/26/65/1351312665.db2.gz HFJZDVIYCRQWPI-ZETCQYMHSA-N -1 1 329.332 2.192 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC001606580521 1351325766 /nfs/dbraw/zinc/32/57/66/1351325766.db2.gz IXKYOSPJIDPSCF-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(CSc1ccccc1)OCc1cccnc1-c1nnn[n-]1 ZINC001606585173 1351326556 /nfs/dbraw/zinc/32/65/56/1351326556.db2.gz UKIYBYASDSHLGD-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(CSc1ccccc1)OCc1cccnc1-c1nn[n-]n1 ZINC001606585173 1351326558 /nfs/dbraw/zinc/32/65/58/1351326558.db2.gz UKIYBYASDSHLGD-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(Cc1ccc(-c2nn[nH]n2)cc1)Nc1ccc([O-])c(F)c1F ZINC001606593867 1351328786 /nfs/dbraw/zinc/32/87/86/1351328786.db2.gz VJRPKDDXXVKILF-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001606831465 1351363553 /nfs/dbraw/zinc/36/35/53/1351363553.db2.gz KKFCRKCUGVLVPW-STQMWFEESA-N -1 1 343.387 2.487 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001606945503 1351382126 /nfs/dbraw/zinc/38/21/26/1351382126.db2.gz GQGWGDHGXTVGOD-QWHCGFSZSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(OC[C@@H]1CCC2(CCCCC2)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967421 1351386704 /nfs/dbraw/zinc/38/67/04/1351386704.db2.gz HDYIOJJHEKMCOJ-NSHDSACASA-N -1 1 332.360 2.498 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CC[C@H]1C(F)(F)F ZINC001606994131 1351394263 /nfs/dbraw/zinc/39/42/63/1351394263.db2.gz PRDYPQOMIHIMIB-VIFPVBQESA-N -1 1 336.277 2.125 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccc(F)cc21 ZINC001607022464 1351399480 /nfs/dbraw/zinc/39/94/80/1351399480.db2.gz RFCVTQZIMSSRAV-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccc(F)cc21 ZINC001607022464 1351399483 /nfs/dbraw/zinc/39/94/83/1351399483.db2.gz RFCVTQZIMSSRAV-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM COc1c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cccc1C(=O)[O-] ZINC001607031439 1351401119 /nfs/dbraw/zinc/40/11/19/1351401119.db2.gz HCVPUONXUCTBIQ-LLVKDONJSA-N -1 1 330.344 2.316 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC001607032222 1351401598 /nfs/dbraw/zinc/40/15/98/1351401598.db2.gz WOFCJZBJZPSPGG-NSHDSACASA-N -1 1 341.396 2.264 20 0 EEADMM c1cn(Cc2ccncc2)nc1NCc1csc(-c2nn[n-]n2)c1 ZINC001607119820 1351426610 /nfs/dbraw/zinc/42/66/10/1351426610.db2.gz IQDRZZWDJYAXHG-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1cc(Sc2n[nH]c(CCC3CCCC3)n2)nc(-c2nn[n-]n2)n1 ZINC001607123465 1351428125 /nfs/dbraw/zinc/42/81/25/1351428125.db2.gz KZPYEIMFPHTWLN-UHFFFAOYSA-N -1 1 343.420 2.049 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001607128654 1351431511 /nfs/dbraw/zinc/43/15/11/1351431511.db2.gz RBUOMNQFLSVFPE-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001607128654 1351431513 /nfs/dbraw/zinc/43/15/13/1351431513.db2.gz RBUOMNQFLSVFPE-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1nc2c(s1)CN(c1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC001607131756 1351433411 /nfs/dbraw/zinc/43/34/11/1351433411.db2.gz NIKOSVSKNORBQY-UHFFFAOYSA-N -1 1 335.396 2.434 20 0 EEADMM c1nc2c(s1)CN(c1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC001607131756 1351433412 /nfs/dbraw/zinc/43/34/12/1351433412.db2.gz NIKOSVSKNORBQY-UHFFFAOYSA-N -1 1 335.396 2.434 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1cc(-c2nnn[n-]2)ncn1 ZINC001607133054 1351434071 /nfs/dbraw/zinc/43/40/71/1351434071.db2.gz ZDLGMDXMHQJWPH-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1cc(-c2nn[n-]n2)ncn1 ZINC001607133054 1351434074 /nfs/dbraw/zinc/43/40/74/1351434074.db2.gz ZDLGMDXMHQJWPH-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM COc1cc(CN[C@H]2COC[C@@H]2C)c(Br)cc1C(=O)[O-] ZINC001607164303 1351441301 /nfs/dbraw/zinc/44/13/01/1351441301.db2.gz UMAIOMMQUIFPKH-UFBFGSQYSA-N -1 1 344.205 2.280 20 0 EEADMM COc1cc(NC(=O)[C@@H]2C[C@H](C)Cc3cn[nH]c32)ccc1C(=O)[O-] ZINC001607174536 1351443012 /nfs/dbraw/zinc/44/30/12/1351443012.db2.gz XFNKXWHMYSYVKJ-NOZJJQNGSA-N -1 1 329.356 2.421 20 0 EEADMM COc1nsc(CNCc2ccc3c(c2)C[C@H](C)O3)c1C(=O)[O-] ZINC001607363392 1351482758 /nfs/dbraw/zinc/48/27/58/1351482758.db2.gz FJYGQSDJAAGPIY-VIFPVBQESA-N -1 1 334.397 2.463 20 0 EEADMM COc1nsc(CN2CCO[C@@H](C(C)(C)C)CC2)c1C(=O)[O-] ZINC001607363730 1351482901 /nfs/dbraw/zinc/48/29/01/1351482901.db2.gz HWVKBCGVZZOCCK-LLVKDONJSA-N -1 1 328.434 2.487 20 0 EEADMM CS(=O)(=O)Nc1cccc(CNCc2csc(C(=O)[O-])c2)c1 ZINC001607376273 1351484228 /nfs/dbraw/zinc/48/42/28/1351484228.db2.gz VUOPEUMESJEVCV-UHFFFAOYSA-N -1 1 340.426 2.108 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(C)c1C(=O)[O-] ZINC001607485920 1351501791 /nfs/dbraw/zinc/50/17/91/1351501791.db2.gz MJYLKTKYPLSASQ-ZIAGYGMSSA-N -1 1 334.416 2.261 20 0 EEADMM Cc1[nH]c(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1C(=O)[O-] ZINC001607494040 1351504683 /nfs/dbraw/zinc/50/46/83/1351504683.db2.gz JZXVSTQUGQVQCP-CYBMUJFWSA-N -1 1 347.459 2.492 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCC(=O)Nc2ccc(Cl)cc2)n1C ZINC001607516897 1351509204 /nfs/dbraw/zinc/50/92/04/1351509204.db2.gz CJAZWWTWEGUIMO-UHFFFAOYSA-N -1 1 335.791 2.413 20 0 EEADMM Cc1cc(CC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)[nH]n1 ZINC001607635916 1351530053 /nfs/dbraw/zinc/53/00/53/1351530053.db2.gz HXHWXMZXWWTIMU-UHFFFAOYSA-N -1 1 327.340 2.064 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC001607637138 1351530262 /nfs/dbraw/zinc/53/02/62/1351530262.db2.gz AYJIPKHTBLVJRB-LLVKDONJSA-N -1 1 346.387 2.324 20 0 EEADMM Cc1cc(C[N@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001607637611 1351530827 /nfs/dbraw/zinc/53/08/27/1351530827.db2.gz DHHKNPYDZLMVSE-HNNXBMFYSA-N -1 1 344.333 2.336 20 0 EEADMM Cc1cc(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c2c(n1)CCCC2 ZINC001607640232 1351531310 /nfs/dbraw/zinc/53/13/10/1351531310.db2.gz WXBIXXBHNQSOTJ-GOSISDBHSA-N -1 1 329.400 2.074 20 0 EEADMM Cc1cc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc2[nH]ncc21 ZINC001607695804 1351541280 /nfs/dbraw/zinc/54/12/80/1351541280.db2.gz RGSSRGOHPURDQY-UHFFFAOYSA-N -1 1 337.401 2.258 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2cnn3c2CCCC3)ccc1C(=O)[O-] ZINC001607707835 1351543308 /nfs/dbraw/zinc/54/33/08/1351543308.db2.gz HNFSORNTTWLUIW-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1ccc(CN2CC[C@H](NC(=O)c3ccnc(C(=O)[O-])c3)C2)cc1 ZINC001607780491 1351557057 /nfs/dbraw/zinc/55/70/57/1351557057.db2.gz GSESUCWIMIGZQI-INIZCTEOSA-N -1 1 339.395 2.093 20 0 EEADMM Cc1csc(CC2(O)CCN(Cc3occc3C(=O)[O-])CC2)n1 ZINC001607930216 1351588124 /nfs/dbraw/zinc/58/81/24/1351588124.db2.gz UVPYBSFWXOKKQY-UHFFFAOYSA-N -1 1 336.413 2.312 20 0 EEADMM Cn1c(CN2CCN(CCc3ccccc3)CC2)ccc1C(=O)[O-] ZINC001608087856 1351623104 /nfs/dbraw/zinc/62/31/04/1351623104.db2.gz QXLGDKHONIDVBC-UHFFFAOYSA-N -1 1 327.428 2.084 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC001608340004 1351674142 /nfs/dbraw/zinc/67/41/42/1351674142.db2.gz RTRLGYZMFWXSQE-AEFFLSMTSA-N -1 1 340.379 2.443 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccsc1 ZINC001608391466 1351685592 /nfs/dbraw/zinc/68/55/92/1351685592.db2.gz OOGIVKYJFCRUBR-LBPRGKRZSA-N -1 1 328.353 2.089 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001647092821 1353136773 /nfs/dbraw/zinc/13/67/73/1353136773.db2.gz DDFHCEHQNLMSCO-FZQKWOKYSA-N -1 1 347.383 2.065 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)=O)C3)c1 ZINC001647102411 1353142863 /nfs/dbraw/zinc/14/28/63/1353142863.db2.gz XLCRFOVBFSHJQH-UHFFFAOYSA-N -1 1 346.408 2.358 20 0 EEADMM O=C(CCCc1nn[n-]n1)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001647347028 1353238891 /nfs/dbraw/zinc/23/88/91/1353238891.db2.gz NQAWOOCAZUCRAN-YJBOKZPZSA-N -1 1 325.416 2.450 20 0 EEADMM CC(C)COc1ccccc1CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC001647423720 1353272083 /nfs/dbraw/zinc/27/20/83/1353272083.db2.gz XHNVRUJEAPGUDL-INIZCTEOSA-N -1 1 348.443 2.134 20 0 EEADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001649322632 1353479294 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O=C(NCc1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1)c1cccs1 ZINC001654603700 1354153913 /nfs/dbraw/zinc/15/39/13/1354153913.db2.gz ZHXSEUIBGWWUIE-UHFFFAOYSA-N -1 1 342.380 2.359 20 0 EEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2o1 ZINC000074838596 1354368506 /nfs/dbraw/zinc/36/85/06/1354368506.db2.gz CATASKHCJCPUAW-UHFFFAOYSA-N -1 1 343.364 2.432 20 0 EEADMM CSc1nc(CNC(=O)Nc2cc3n[nH]cc3c(C)c2)cc(=O)[n-]1 ZINC001660008897 1354390982 /nfs/dbraw/zinc/39/09/82/1354390982.db2.gz QKGRMNMVIOLOJL-UHFFFAOYSA-N -1 1 344.400 2.411 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)N[C@H](CO)c1ccccc1 ZINC001673488930 1356696056 /nfs/dbraw/zinc/69/60/56/1356696056.db2.gz NCKUFTVZYSYXHG-MRXNPFEDSA-N -1 1 338.367 2.433 20 0 EEADMM CC(C)C[C@@H](CNC(=O)CC(C)(F)F)NC(=O)c1ncccc1[O-] ZINC001388518704 1387521368 /nfs/dbraw/zinc/52/13/68/1387521368.db2.gz LIXFZNFKEVLXIO-NSHDSACASA-N -1 1 343.374 2.093 20 0 EEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185555844 1368158844 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CCCCCOC(=O)C[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201767887 1368840925 /nfs/dbraw/zinc/84/09/25/1368840925.db2.gz BSSMYYTUVWOTJK-UHFFFAOYSA-N -1 1 340.854 2.117 20 0 EEADMM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830961900 1372360143 /nfs/dbraw/zinc/36/01/43/1372360143.db2.gz ILDJRYTZKBUPBG-SSDOTTSWSA-N -1 1 333.822 2.064 20 0 EEADMM O=C([O-])COc1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC001138930047 1372444842 /nfs/dbraw/zinc/44/48/42/1372444842.db2.gz ICDJSKHDTKTIKZ-MRXNPFEDSA-N -1 1 346.427 2.031 20 0 EEADMM O=C(Nc1cccc(O)c1F)c1nc[n-]c(=O)c1Br ZINC001362220570 1373379500 /nfs/dbraw/zinc/37/95/00/1373379500.db2.gz FTJBOQRCUMUILB-UHFFFAOYSA-N -1 1 328.097 2.042 20 0 EEADMM CSc1ncc(C(=O)NCCc2cccc(F)c2F)c(=O)[n-]1 ZINC001362286049 1373387333 /nfs/dbraw/zinc/38/73/33/1373387333.db2.gz PVFZCAVBAOVPRU-UHFFFAOYSA-N -1 1 325.340 2.155 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1OC ZINC001362608643 1373438061 /nfs/dbraw/zinc/43/80/61/1373438061.db2.gz XBQBBERHRHEEFU-UHFFFAOYSA-N -1 1 343.339 2.107 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC001362660703 1373445992 /nfs/dbraw/zinc/44/59/92/1373445992.db2.gz ZYLJETZPMQXACU-UHFFFAOYSA-N -1 1 339.377 2.480 20 0 EEADMM O=C(Nc1cccc(CN2CCOCC2)n1)c1ccc([O-])cc1F ZINC001362790903 1373464160 /nfs/dbraw/zinc/46/41/60/1373464160.db2.gz XHSKPQIRWOBSID-UHFFFAOYSA-N -1 1 331.347 2.011 20 0 EEADMM COC(=O)[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])CC1CC1 ZINC001363210893 1373493531 /nfs/dbraw/zinc/49/35/31/1373493531.db2.gz VDNKOERDNUHCOI-CYBMUJFWSA-N -1 1 328.368 2.260 20 0 EEADMM CCN(C(=O)[C@@H]1CC12CCCC2)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001371339703 1375392338 /nfs/dbraw/zinc/39/23/38/1375392338.db2.gz CJIUOOSLERMJMP-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC[C@@H](CC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372241912 1375879350 /nfs/dbraw/zinc/87/93/50/1375879350.db2.gz CBOGHZHSRNOTRK-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](C)CCC(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373067012 1376385609 /nfs/dbraw/zinc/38/56/09/1376385609.db2.gz VHJAMRRAJLDSSJ-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM CCCN(CCNC(=O)[C@H](C)C(C)(C)C)C(=O)c1ncccc1[O-] ZINC001374138356 1376593891 /nfs/dbraw/zinc/59/38/91/1376593891.db2.gz COXWBZSVZAFTRB-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001390205981 1388511834 /nfs/dbraw/zinc/51/18/34/1388511834.db2.gz QQDDZNXQYPRTKL-FZKQIMNGSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376258213 1378399435 /nfs/dbraw/zinc/39/94/35/1378399435.db2.gz HMBOHZURUZLACR-UONOGXRCSA-N -1 1 333.432 2.144 20 0 EEADMM CC(C)c1ocnc1CNC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001379857481 1380919548 /nfs/dbraw/zinc/91/95/48/1380919548.db2.gz JDTXLNDZYAETSE-ZDUSSCGKSA-N -1 1 344.415 2.197 20 0 EEADMM CCCC[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ncccc1[O-] ZINC001381075847 1381501187 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CC[C@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001384547908 1384682116 /nfs/dbraw/zinc/68/21/16/1384682116.db2.gz JVSCQZSLKZWLOD-UONOGXRCSA-N -1 1 345.443 2.144 20 0 EEADMM CCC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001384548141 1384686233 /nfs/dbraw/zinc/68/62/33/1384686233.db2.gz SQMKLMPRTOBWHY-OKILXGFUSA-N -1 1 345.443 2.382 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1(CC)CCC1 ZINC001387415672 1386717896 /nfs/dbraw/zinc/71/78/96/1386717896.db2.gz FLQMKNLHQPGIAT-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CC[C@H](CNC(=O)c1cc(C)c(C)s1)NC(=O)c1ncccc1[O-] ZINC001388207339 1387251990 /nfs/dbraw/zinc/25/19/90/1387251990.db2.gz UBAJBRYGTXZCFN-GFCCVEGCSA-N -1 1 347.440 2.404 20 0 EEADMM CC/C=C(/C)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001752831231 1406456783 /nfs/dbraw/zinc/45/67/83/1406456783.db2.gz CHOMWAJERYMERY-KWLXYHDNSA-N -1 1 347.463 2.212 20 0 EEADMM C[C@]1(CNC(=O)C2=CCCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001394526273 1390721495 /nfs/dbraw/zinc/72/14/95/1390721495.db2.gz NESVHVNKXKBIAA-LJQANCHMSA-N -1 1 343.427 2.256 20 0 EEADMM CC(C)c1ccoc1C(=O)N(C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001395642940 1390849601 /nfs/dbraw/zinc/84/96/01/1390849601.db2.gz CGKUHCOWUIVUQT-LBPRGKRZSA-N -1 1 345.399 2.394 20 0 EEADMM CCC(CC)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001396220041 1390923784 /nfs/dbraw/zinc/92/37/84/1390923784.db2.gz CDLZJLJFKUAGBL-DZGCQCFKSA-N -1 1 347.459 2.438 20 0 EEADMM CCCC[C@H](C)C(=O)N[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397443129 1391226084 /nfs/dbraw/zinc/22/60/84/1391226084.db2.gz YHHIEBVYMCXVMD-NWDGAFQWSA-N -1 1 348.447 2.120 20 0 EEADMM O=C(CCC1CCC1)NCCN(C(=O)c1ncccc1[O-])C1CC1 ZINC001398311149 1392162276 /nfs/dbraw/zinc/16/22/76/1392162276.db2.gz OKNWGYNVWLWKFH-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(C)(C)C1CC1 ZINC001398935149 1394335993 /nfs/dbraw/zinc/33/59/93/1394335993.db2.gz CFDDFGJTSOJFGO-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@@H](CN[C@H](C)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001401272354 1397106459 /nfs/dbraw/zinc/10/64/59/1397106459.db2.gz DRGKSUGAXXSMFG-NEPJUHHUSA-N -1 1 349.460 2.134 20 0 EEADMM Cc1cc(CN2CCC[C@](C)(CNC(=O)c3ncccc3[O-])C2)no1 ZINC001423687177 1400746928 /nfs/dbraw/zinc/74/69/28/1400746928.db2.gz YJATVPAHVVQYBV-GOSISDBHSA-N -1 1 344.415 2.116 20 0 EEADMM CC(C)(C)CCC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427890569 1402552032 /nfs/dbraw/zinc/55/20/32/1402552032.db2.gz DESXCWABKKJISK-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001432709421 1403275362 /nfs/dbraw/zinc/27/53/62/1403275362.db2.gz IJRPHWZJFDBTFC-CQSZACIVSA-N -1 1 345.374 2.195 20 0 EEADMM Cc1cc(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)c(C)s1 ZINC001433864530 1403440156 /nfs/dbraw/zinc/44/01/56/1403440156.db2.gz GWRCJNMWHMONLI-UHFFFAOYSA-N -1 1 345.424 2.158 20 0 EEADMM CCC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C(C)(C)C ZINC001577326137 1403639844 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Cc1cc(-c2nnn[n-]2)nc(NCC2([C@H]3CCCCO3)CCC2)n1 ZINC001591896144 1403970325 /nfs/dbraw/zinc/97/03/25/1403970325.db2.gz ZNPFOAYHWFKZHP-CYBMUJFWSA-N -1 1 329.408 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2([C@H]3CCCCO3)CCC2)n1 ZINC001591896144 1403970328 /nfs/dbraw/zinc/97/03/28/1403970328.db2.gz ZNPFOAYHWFKZHP-CYBMUJFWSA-N -1 1 329.408 2.116 20 0 EEADMM O=C(Cc1ccc(F)cc1Cl)OCc1cccnc1-c1nnn[n-]1 ZINC001592917060 1404729907 /nfs/dbraw/zinc/72/99/07/1404729907.db2.gz UCKQGBAIMBEUPT-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1ccc(F)cc1Cl)OCc1cccnc1-c1nn[n-]n1 ZINC001592917060 1404729914 /nfs/dbraw/zinc/72/99/14/1404729914.db2.gz UCKQGBAIMBEUPT-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001593028538 1404734481 /nfs/dbraw/zinc/73/44/81/1404734481.db2.gz QCZVCYAJXBXPJV-VIFPVBQESA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NC[C@@H]1CC12CCSCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001593028538 1404734487 /nfs/dbraw/zinc/73/44/87/1404734487.db2.gz QCZVCYAJXBXPJV-VIFPVBQESA-N -1 1 335.458 2.191 20 0 EEADMM O=C(NCCOc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593099768 1404741722 /nfs/dbraw/zinc/74/17/22/1404741722.db2.gz IMIFLPHRYRFQCR-UHFFFAOYSA-N -1 1 349.350 2.422 20 0 EEADMM O=C(NCCOc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593099768 1404741727 /nfs/dbraw/zinc/74/17/27/1404741727.db2.gz IMIFLPHRYRFQCR-UHFFFAOYSA-N -1 1 349.350 2.422 20 0 EEADMM Cc1nsc(N2CCC(O)(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC001606144327 1404767415 /nfs/dbraw/zinc/76/74/15/1404767415.db2.gz DCDZLKLQSKVJDZ-UHFFFAOYSA-N -1 1 342.428 2.120 20 0 EEADMM Cc1nsc(NCCNC(=O)C=C2CCCCC2)c1-c1nn[n-]n1 ZINC001606161890 1404771433 /nfs/dbraw/zinc/77/14/33/1404771433.db2.gz WGDBSNSHMJMLAR-UHFFFAOYSA-N -1 1 347.448 2.050 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1cnc(-c3nnn[n-]3)cn1)CCC2 ZINC001606311707 1404786992 /nfs/dbraw/zinc/78/69/92/1404786992.db2.gz RNXZQGQBAAYNKT-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1cc(F)c2c(c1)[C@H](Nc1cnc(-c3nn[n-]n3)cn1)CCC2 ZINC001606311707 1404786997 /nfs/dbraw/zinc/78/69/97/1404786997.db2.gz RNXZQGQBAAYNKT-GFCCVEGCSA-N -1 1 329.314 2.424 20 0 EEADMM CO[C@@H](CNCc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001646232479 1404883565 /nfs/dbraw/zinc/88/35/65/1404883565.db2.gz DNUJWSGBYANUJE-ZDUSSCGKSA-N -1 1 341.770 2.162 20 0 EEADMM C/C(=C/C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC1(C)C)C1CC1 ZINC001756173372 1408197997 /nfs/dbraw/zinc/19/79/97/1408197997.db2.gz KBBGUMCMNQFNMH-HMVFGEFZSA-N -1 1 343.427 2.110 20 0 EEADMM CC/C(C)=C/C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001756709987 1409235180 /nfs/dbraw/zinc/23/51/80/1409235180.db2.gz GMDGCJXEDGDPHX-WONIAPNHSA-N -1 1 333.432 2.404 20 0 EEADMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1CN1CCCC1 ZINC000320345957 1409857344 /nfs/dbraw/zinc/85/73/44/1409857344.db2.gz JXKZWCPYJLKGKE-UHFFFAOYSA-N -1 1 334.445 2.423 20 0 EEADMM CC(C)(CCC(=O)[O-])C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC001771920698 1409980395 /nfs/dbraw/zinc/98/03/95/1409980395.db2.gz DAPSJKJUOZTVAI-UHFFFAOYSA-N -1 1 333.432 2.053 20 0 EEADMM CCc1cnc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)o1 ZINC000864330702 1410461338 /nfs/dbraw/zinc/46/13/38/1410461338.db2.gz GRIRXKVFOIDISD-ZDUSSCGKSA-N -1 1 343.431 2.322 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1n[nH]cc1-c1ccc(Cl)cc1 ZINC001167335316 758020126 /nfs/dbraw/zinc/02/01/26/758020126.db2.gz ZRTKYSIZGJTJSC-UHFFFAOYSA-N -1 1 331.767 2.205 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087204001 760323597 /nfs/dbraw/zinc/32/35/97/760323597.db2.gz CSVGFVHJBLUUCR-OCCSQVGLSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1n[nH]c(C(=O)NCCNCc2ccc(Cl)cc2Cl)c1[O-] ZINC001125734157 761197276 /nfs/dbraw/zinc/19/72/76/761197276.db2.gz HZPSVHKYXWDVAM-UHFFFAOYSA-N -1 1 343.214 2.250 20 0 EEADMM CC[C@H](c1ccc(F)cc1)N1CC(CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001031616536 770268549 /nfs/dbraw/zinc/26/85/49/770268549.db2.gz YOZPPCVQQXMVSJ-OAHLLOKOSA-N -1 1 346.406 2.376 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979669970 770819329 /nfs/dbraw/zinc/81/93/29/770819329.db2.gz AHWYTFMRSXZPJD-ZQDZILKHSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000921307719 773267295 /nfs/dbraw/zinc/26/72/95/773267295.db2.gz MRJNTVKSYJXXIG-SCPCYMADSA-N -1 1 346.449 2.161 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000942758617 783146974 /nfs/dbraw/zinc/14/69/74/783146974.db2.gz PKZNHZKJMYGJTJ-OAHLLOKOSA-N -1 1 339.395 2.164 20 0 EEADMM NC(=O)CCNC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000181045557 775272539 /nfs/dbraw/zinc/27/25/39/775272539.db2.gz JPBCLYRDQRFQOO-UHFFFAOYSA-N -1 1 347.802 2.263 20 0 EEADMM CS(=O)(=O)c1cccc(NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000181139904 775457958 /nfs/dbraw/zinc/45/79/58/775457958.db2.gz ZWUKVDPGTLZUJS-UHFFFAOYSA-N -1 1 340.788 2.206 20 0 EEADMM CCC1(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC000939148891 775696026 /nfs/dbraw/zinc/69/60/26/775696026.db2.gz VTECRKLGXQYHEU-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM O=C([N-]OCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000069368800 776056328 /nfs/dbraw/zinc/05/63/28/776056328.db2.gz PZISORRKLXQERA-CQSZACIVSA-N -1 1 328.343 2.427 20 0 EEADMM Cc1nsc(NCC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063273110 790539929 /nfs/dbraw/zinc/53/99/29/790539929.db2.gz ZGRRBKJTZSJYIC-LBPRGKRZSA-N -1 1 347.444 2.302 20 0 EEADMM Cn1c(CCNC(=O)c2ccc(-c3cnco3)cc2)n[n-]c1=S ZINC000067051228 779781824 /nfs/dbraw/zinc/78/18/24/779781824.db2.gz UHVXLITZICPPPE-UHFFFAOYSA-N -1 1 329.385 2.105 20 0 EEADMM COc1cc(C)[n-]c(=NNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000182987237 780183167 /nfs/dbraw/zinc/18/31/67/780183167.db2.gz TXXQMLOUWTWJCV-SECBINFHSA-N -1 1 349.322 2.088 20 0 EEADMM COC1=CC[C@H](Oc2[n-]c(=O)ncc2I)CC1 ZINC001226774361 781803339 /nfs/dbraw/zinc/80/33/39/781803339.db2.gz NOAMZCAJEVDITG-QMMMGPOBSA-N -1 1 348.140 2.248 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000906987437 784302884 /nfs/dbraw/zinc/30/28/84/784302884.db2.gz KYKONDPOFFZRCV-CQSZACIVSA-N -1 1 337.397 2.044 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000945575191 784351856 /nfs/dbraw/zinc/35/18/56/784351856.db2.gz VTCGYMAMQSJIAI-QWHCGFSZSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H](NC(=O)C1CCCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945625344 784462489 /nfs/dbraw/zinc/46/24/89/784462489.db2.gz WJAOHZMAPUTLMY-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000945676990 784608947 /nfs/dbraw/zinc/60/89/47/784608947.db2.gz PKINEZNXIRPNHL-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](CCC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccccc1 ZINC000907476655 784645611 /nfs/dbraw/zinc/64/56/11/784645611.db2.gz QZXGAODKJPQWGE-TZMCWYRMSA-N -1 1 331.445 2.400 20 0 EEADMM O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476954 784646039 /nfs/dbraw/zinc/64/60/39/784646039.db2.gz DCPSCXJYJXKBCR-DGAVXFQQSA-N -1 1 335.477 2.423 20 0 EEADMM Cc1cccc2c(C(=O)N3CCSC[C@H]3c3nn[n-]n3)coc21 ZINC000907480036 784686671 /nfs/dbraw/zinc/68/66/71/784686671.db2.gz KTWBXHLDMVPJJC-LBPRGKRZSA-N -1 1 329.385 2.185 20 0 EEADMM CCOc1ccccc1N1C[C@H](C(=O)[N-]OCCC2CC2)CC1=O ZINC000817412690 784766646 /nfs/dbraw/zinc/76/66/46/784766646.db2.gz FRNVEBKHUJVGHM-CQSZACIVSA-N -1 1 332.400 2.286 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000908152037 785104015 /nfs/dbraw/zinc/10/40/15/785104015.db2.gz QDQXSPNKUHPORC-NHYWBVRUSA-N -1 1 327.384 2.220 20 0 EEADMM O=C(CC1CCC1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000945929740 785140479 /nfs/dbraw/zinc/14/04/79/785140479.db2.gz MPUPROIQFROWPP-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1NC(=O)C1CCCCC1)c1ncccc1[O-] ZINC000946100555 785502866 /nfs/dbraw/zinc/50/28/66/785502866.db2.gz GVVNSJSMPRHMQW-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM O=C([O-])[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000908705661 785659597 /nfs/dbraw/zinc/65/95/97/785659597.db2.gz PTARAFLUVPUHHH-LBPRGKRZSA-N -1 1 344.333 2.118 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000908705661 785659599 /nfs/dbraw/zinc/65/95/99/785659599.db2.gz PTARAFLUVPUHHH-LBPRGKRZSA-N -1 1 344.333 2.118 20 0 EEADMM CNC(=O)C1(C(=O)Nc2cccc([O-])c2Br)CCC1 ZINC000908717097 785668566 /nfs/dbraw/zinc/66/85/66/785668566.db2.gz UENPSLLXPJLYFF-UHFFFAOYSA-N -1 1 327.178 2.010 20 0 EEADMM C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)[C@H](C(=O)[O-])C1 ZINC000908748386 785688169 /nfs/dbraw/zinc/68/81/69/785688169.db2.gz VZKNVNDKVYAIKP-QLFBSQMISA-N -1 1 349.431 2.311 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908818836 785754509 /nfs/dbraw/zinc/75/45/09/785754509.db2.gz IIXNRNYLQSPRSU-WFASDCNBSA-N -1 1 339.411 2.323 20 0 EEADMM C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910109181 786457196 /nfs/dbraw/zinc/45/71/96/786457196.db2.gz WJMPMXNRGISJQT-LPHOPBHVSA-N -1 1 330.428 2.159 20 0 EEADMM CN1CCCC[C@H]1C(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000910109181 786457197 /nfs/dbraw/zinc/45/71/97/786457197.db2.gz WJMPMXNRGISJQT-LPHOPBHVSA-N -1 1 330.428 2.159 20 0 EEADMM Cc1nc(N2CCN(CCOc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000910277546 786607276 /nfs/dbraw/zinc/60/72/76/786607276.db2.gz ZAIXZGAVWGDPOG-UHFFFAOYSA-N -1 1 341.411 2.289 20 0 EEADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(OC)c(F)c1 ZINC000821150620 786634802 /nfs/dbraw/zinc/63/48/02/786634802.db2.gz ILDNGRKIQPVFTR-ZDUSSCGKSA-N -1 1 333.381 2.308 20 0 EEADMM [NH3+]Cc1nc(=O)[nH]n1-c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC001168760739 786663553 /nfs/dbraw/zinc/66/35/53/786663553.db2.gz FTFLKAUUULFTPN-UHFFFAOYSA-N -1 1 334.339 2.149 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2ncc(C3CC3)o2)c1 ZINC000821353055 786711461 /nfs/dbraw/zinc/71/14/61/786711461.db2.gz PUMZDHUKRNPIPM-QHCPKHFHSA-N -1 1 335.381 2.412 20 0 EEADMM Cc1ccc2ccnc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)c2c1 ZINC000910678210 786972171 /nfs/dbraw/zinc/97/21/71/786972171.db2.gz BMCQJOYRRFEYNX-AWEZNQCLSA-N -1 1 327.384 2.278 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(N2CCOCC2)nc1 ZINC000910980406 787160248 /nfs/dbraw/zinc/16/02/48/787160248.db2.gz CIVLSFGMTVSWEW-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000911057211 787209099 /nfs/dbraw/zinc/20/90/99/787209099.db2.gz LNIMRFNDJTVDKC-LBPRGKRZSA-N -1 1 337.282 2.008 20 0 EEADMM COc1ccc(CN2CCCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000911137237 787262348 /nfs/dbraw/zinc/26/23/48/787262348.db2.gz XRBNMDHYJDPJED-HNNXBMFYSA-N -1 1 348.443 2.230 20 0 EEADMM O=C(CCOCc1ccccc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822974681 787493176 /nfs/dbraw/zinc/49/31/76/787493176.db2.gz YPOHRGYJBWJDLY-UHFFFAOYSA-N -1 1 339.355 2.118 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC4(CCC4)[C@@H]3c3ccncc3)ccnc1-2 ZINC000823057518 787532603 /nfs/dbraw/zinc/53/26/03/787532603.db2.gz FGEHHLOLZGSLNM-INIZCTEOSA-N -1 1 348.410 2.496 20 0 EEADMM CC(C)Cc1nsc(NC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001107689942 788069662 /nfs/dbraw/zinc/06/96/62/788069662.db2.gz CFIRPCFLONJAGU-SNVBAGLBSA-N -1 1 335.433 2.068 20 0 EEADMM CN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nn[nH]n1 ZINC000912617763 788257576 /nfs/dbraw/zinc/25/75/76/788257576.db2.gz JKEHSZPTSMOEAD-UHFFFAOYSA-N -1 1 334.188 2.194 20 0 EEADMM CN(C(=O)CCC(=O)c1cc(Cl)sc1Cl)c1nn[n-]n1 ZINC000912617763 788257579 /nfs/dbraw/zinc/25/75/79/788257579.db2.gz JKEHSZPTSMOEAD-UHFFFAOYSA-N -1 1 334.188 2.194 20 0 EEADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000825025884 788400879 /nfs/dbraw/zinc/40/08/79/788400879.db2.gz BDAHCMWTZLMEIX-MLGOLLRUSA-N -1 1 336.363 2.143 20 0 EEADMM CCCc1nc(C)c(C(=O)N[C@@H](CCSC)c2nn[n-]n2)s1 ZINC000912860739 788420353 /nfs/dbraw/zinc/42/03/53/788420353.db2.gz WNFYPRJHTSVSRQ-VIFPVBQESA-N -1 1 340.478 2.141 20 0 EEADMM CSCC[C@H](NC(=O)C=CSCc1ccco1)c1nn[n-]n1 ZINC000912861170 788420869 /nfs/dbraw/zinc/42/08/69/788420869.db2.gz FCYSEQYQICJDMJ-OFSNVTPPSA-N -1 1 339.446 2.150 20 0 EEADMM CSCC[C@H](NC(=O)/C=C\SCc1ccco1)c1nn[n-]n1 ZINC000912861170 788420882 /nfs/dbraw/zinc/42/08/82/788420882.db2.gz FCYSEQYQICJDMJ-OFSNVTPPSA-N -1 1 339.446 2.150 20 0 EEADMM CCOc1cccc(C=CC(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912863079 788425980 /nfs/dbraw/zinc/42/59/80/788425980.db2.gz KXNGSPZTBIBBBD-DANTVBBOSA-N -1 1 347.444 2.222 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)NC(=O)CC1CC1 ZINC001077700519 788493489 /nfs/dbraw/zinc/49/34/89/788493489.db2.gz JDGCVBRRPZVDRN-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM Cc1cccc(-c2cccc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)c2)c1 ZINC000913493474 788928510 /nfs/dbraw/zinc/92/85/10/788928510.db2.gz XPJVPJODLWMVNY-KRWDZBQOSA-N -1 1 349.394 2.389 20 0 EEADMM C[C@@H]1CO[C@H](C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1 ZINC000913481857 788931121 /nfs/dbraw/zinc/93/11/21/788931121.db2.gz BSFFYWZGQNCJRZ-LRDDRELGSA-N -1 1 338.835 2.115 20 0 EEADMM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOc1ccccc1C(=O)[O-] ZINC000844241693 788950411 /nfs/dbraw/zinc/95/04/11/788950411.db2.gz DMOVNADPYMIQSG-ZENOOKHLSA-N -1 1 333.384 2.037 20 0 EEADMM CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107890035 789127886 /nfs/dbraw/zinc/12/78/86/789127886.db2.gz IDYDRIRWQFUHBZ-SFHVURJKSA-N -1 1 335.448 2.188 20 0 EEADMM O=C(NC[C@H](O)COc1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000056671276 789445166 /nfs/dbraw/zinc/44/51/66/789445166.db2.gz UFXKNUCIEHDLPI-LBPRGKRZSA-N -1 1 339.750 2.354 20 0 EEADMM O=C(CC1CCC(O)CC1)Nc1nc(Br)ccc1[O-] ZINC001144339314 789597268 /nfs/dbraw/zinc/59/72/68/789597268.db2.gz ASQAQSMHCOSLPF-UHFFFAOYSA-N -1 1 329.194 2.429 20 0 EEADMM CCOC(=O)[C@H](C)[C@@H](OCCCC[P@](=O)([O-])O)C(F)(F)F ZINC001225022832 789817510 /nfs/dbraw/zinc/81/75/10/789817510.db2.gz SIQBGPBQYMVKOU-RKDXNWHRSA-N -1 1 336.243 2.091 20 0 EEADMM O=C(NC1CN(CC[C@H]2CCCC2(F)F)C1)c1ncccc1[O-] ZINC001030241727 789865542 /nfs/dbraw/zinc/86/55/42/789865542.db2.gz KLQXHGSWECFCOX-LLVKDONJSA-N -1 1 325.359 2.027 20 0 EEADMM O=C(NC1(CNC(=O)[C@@H]2CCC[C@@H](F)C2)CCC1)c1ncccc1[O-] ZINC001062997798 790098963 /nfs/dbraw/zinc/09/89/63/790098963.db2.gz POTPFQOQAQMRNT-CHWSQXEVSA-N -1 1 349.406 2.084 20 0 EEADMM O=C(N[C@H]1CCCC[C@H]1CNC(=O)C1CCCC1)c1ncccc1[O-] ZINC000946379130 791458548 /nfs/dbraw/zinc/45/85/48/791458548.db2.gz HAVQCVJNVMCEDT-GJZGRUSLSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1S(N)(=O)=O ZINC000171881392 791493180 /nfs/dbraw/zinc/49/31/80/791493180.db2.gz WQWXMXLHQSWBNR-UHFFFAOYSA-N -1 1 340.788 2.254 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1nc(C)no1 ZINC000062295905 791543199 /nfs/dbraw/zinc/54/31/99/791543199.db2.gz SLBKIAYTDZPHGO-SECBINFHSA-N -1 1 339.373 2.058 20 0 EEADMM CC1(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC000946412995 791570242 /nfs/dbraw/zinc/57/02/42/791570242.db2.gz OCFFQQIQGVAYGB-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1cnc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)s1 ZINC000230621113 791708867 /nfs/dbraw/zinc/70/88/67/791708867.db2.gz NERPAPJFUREYJK-UHFFFAOYSA-N -1 1 348.862 2.293 20 0 EEADMM Cc1ccc(CCCO)c(NC(=O)c2c(CO)cnc(C)c2[O-])c1 ZINC001147843416 791999980 /nfs/dbraw/zinc/99/99/80/791999980.db2.gz VYGKTWXMOPLXAU-UHFFFAOYSA-N -1 1 330.384 2.074 20 0 EEADMM CC(=O)Nc1ccc([C@H](C)NC(=O)c2c(CO)cnc(C)c2[O-])cc1 ZINC001147849041 792005702 /nfs/dbraw/zinc/00/57/02/792005702.db2.gz YOLRXNHDPJDXQO-JTQLQIEISA-N -1 1 343.383 2.037 20 0 EEADMM CCc1nsc(NC[C@@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064093741 792336108 /nfs/dbraw/zinc/33/61/08/792336108.db2.gz MXSFWPMEGAQOMF-WDEREUQCSA-N -1 1 347.444 2.212 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC34CCOCC4)cc2)[n-]1 ZINC001148336645 792345617 /nfs/dbraw/zinc/34/56/17/792345617.db2.gz QIYPDJWBDANPNN-HNNXBMFYSA-N -1 1 327.384 2.098 20 0 EEADMM O=C(N[C@H]1CCCC[C@H]1CNc1ncc(F)cn1)c1ncccc1[O-] ZINC001064171603 792590936 /nfs/dbraw/zinc/59/09/36/792590936.db2.gz OSBUDZMPMHKZHS-AAEUAGOBSA-N -1 1 345.378 2.117 20 0 EEADMM CCOC(=O)Nc1cccc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1 ZINC001148817454 792724581 /nfs/dbraw/zinc/72/45/81/792724581.db2.gz NUWSUYCAECQZQC-UHFFFAOYSA-N -1 1 347.287 2.106 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1ncc(F)cn1 ZINC001064395551 793025489 /nfs/dbraw/zinc/02/54/89/793025489.db2.gz MDARPITVDRODAF-WCQYABFASA-N -1 1 345.378 2.069 20 0 EEADMM CCc1nsc(N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272071 793923390 /nfs/dbraw/zinc/92/33/90/793923390.db2.gz MZBLCYSJUTWCPW-NXEZZACHSA-N -1 1 335.433 2.210 20 0 EEADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742056 794201236 /nfs/dbraw/zinc/20/12/36/794201236.db2.gz DQVLSWBIUCBTSX-NSHDSACASA-N -1 1 349.822 2.335 20 0 EEADMM CCOc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1OCC ZINC000913742186 794201261 /nfs/dbraw/zinc/20/12/61/794201261.db2.gz MATOBXBKKQDAAB-UHFFFAOYSA-N -1 1 345.403 2.017 20 0 EEADMM O=C(COc1cccc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913742216 794201374 /nfs/dbraw/zinc/20/13/74/794201374.db2.gz OBMCSAYNEGBIKY-UHFFFAOYSA-N -1 1 337.383 2.138 20 0 EEADMM O=C(COc1ccc2ccccc2c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742132 794201398 /nfs/dbraw/zinc/20/13/98/794201398.db2.gz IZSUXDMVJVKJQX-UHFFFAOYSA-N -1 1 337.383 2.138 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)C1(C2CC2)CCC1 ZINC000946538411 795654524 /nfs/dbraw/zinc/65/45/24/795654524.db2.gz AKSDBDQLHXSMJG-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1ccc(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])c(C)c1 ZINC001078366686 796344408 /nfs/dbraw/zinc/34/44/08/796344408.db2.gz NYHQQSJAVHNTEV-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM CCN(CC1CCN(C(=O)c2ncccc2[O-])CC1)C(=O)C(C)C ZINC001081073798 796635309 /nfs/dbraw/zinc/63/53/09/796635309.db2.gz AVSNRKFABPLKCA-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM C[C@H](NC(=O)C(F)F)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001060591707 796712749 /nfs/dbraw/zinc/71/27/49/796712749.db2.gz UOLKARXOEUQHGU-JTQLQIEISA-N -1 1 349.337 2.160 20 0 EEADMM CC/C(C)=C/C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001061002676 796844143 /nfs/dbraw/zinc/84/41/43/796844143.db2.gz 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798518928 /nfs/dbraw/zinc/51/89/28/798518928.db2.gz PFOBUQUJQXXDEG-UHFFFAOYSA-N -1 1 342.321 2.082 20 0 EEADMM O=C(Cc1nn[n-]n1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001176847259 798619099 /nfs/dbraw/zinc/61/90/99/798619099.db2.gz NSWYVPZWVFQMBJ-MRXNPFEDSA-N -1 1 327.775 2.301 20 0 EEADMM Cc1cc(C)nc(N[C@@H](C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065701787 799393230 /nfs/dbraw/zinc/39/32/30/799393230.db2.gz VMEWFUZHSWPDDO-KBPBESRZSA-N -1 1 341.415 2.157 20 0 EEADMM CC(C)=CCC[C@@H](C)CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001179582220 800015910 /nfs/dbraw/zinc/01/59/10/800015910.db2.gz NJSFWOWZTKASJP-ILXRZTDVSA-N -1 1 349.479 2.362 20 0 EEADMM CSc1nc(NC(=O)CCC(=O)OC2CCCCC2)cc(=O)[n-]1 ZINC001182899727 801392233 /nfs/dbraw/zinc/39/22/33/801392233.db2.gz MGPIYLGKUYTTBM-UHFFFAOYSA-N -1 1 339.417 2.499 20 0 EEADMM CCOC(CC[N-]S(=O)(=O)c1c(F)cc(C)cc1F)OCC ZINC000819879739 801496389 /nfs/dbraw/zinc/49/63/89/801496389.db2.gz WFMDZZCIKXPBCK-UHFFFAOYSA-N -1 1 337.388 2.341 20 0 EEADMM 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CSc1nc(C)c(CCC(=O)NCCc2cccc(C)n2)c(=O)[n-]1 ZINC000279299912 539708652 /nfs/dbraw/zinc/70/86/52/539708652.db2.gz DEYKYTBUOUYVCA-UHFFFAOYSA-N -1 1 346.456 2.207 20 0 EEADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](C)n2cncn2)CC1 ZINC000068446843 215308485 /nfs/dbraw/zinc/30/84/85/215308485.db2.gz LAXSLCFYZVUZPO-LLVKDONJSA-N -1 1 349.464 2.080 20 0 EEADMM COCCS(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000190073301 238196676 /nfs/dbraw/zinc/19/66/76/238196676.db2.gz JVJAVEJCUAFQMH-UHFFFAOYSA-N -1 1 330.150 2.115 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1c1ccc(F)cc1C ZINC000416243356 239144691 /nfs/dbraw/zinc/14/46/91/239144691.db2.gz HLIWCUKMYSIYAM-LBPRGKRZSA-N -1 1 347.346 2.321 20 0 EEADMM O=C(N[C@H]1CCN(CC(F)F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000416356562 239201527 /nfs/dbraw/zinc/20/15/27/239201527.db2.gz WGIYUIBONTUUQS-VIFPVBQESA-N -1 1 338.276 2.480 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn(C)c3=O)cc1 ZINC000443526242 242123654 /nfs/dbraw/zinc/12/36/54/242123654.db2.gz 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Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC(C(C)C)CC1 ZINC000174490837 534637339 /nfs/dbraw/zinc/63/73/39/534637339.db2.gz DPFHJTBACYPDPN-UHFFFAOYSA-N -1 1 330.432 2.077 20 0 EEADMM O=c1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000193026510 534863372 /nfs/dbraw/zinc/86/33/72/534863372.db2.gz WTAIXSIFPOYQLS-UHFFFAOYSA-N -1 1 334.184 2.431 20 0 EEADMM CCN(CC)C(=O)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000171863186 528068678 /nfs/dbraw/zinc/06/86/78/528068678.db2.gz OXDRPSUJMGEVGV-UHFFFAOYSA-N -1 1 327.384 2.199 20 0 EEADMM CCCCN(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000183405445 528367994 /nfs/dbraw/zinc/36/79/94/528367994.db2.gz HPPLDVJZJRHJSC-ZDUSSCGKSA-N -1 1 330.436 2.312 20 0 EEADMM CCC(C)(C)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000130501917 528488472 /nfs/dbraw/zinc/48/84/72/528488472.db2.gz GVKPHTPBONDSGT-UHFFFAOYSA-N -1 1 326.418 2.208 20 0 EEADMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451390628 534993713 /nfs/dbraw/zinc/99/37/13/534993713.db2.gz ARIDADXRCBSAHE-UHFFFAOYSA-N -1 1 346.861 2.487 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)oc1C ZINC000451826275 536583884 /nfs/dbraw/zinc/58/38/84/536583884.db2.gz SBDRYWHHTBKTBH-SECBINFHSA-N -1 1 337.344 2.088 20 0 EEADMM O=C(Oc1ccc2c(c1)OCCCO2)c1sccc1-c1nn[n-]n1 ZINC000738247023 578005845 /nfs/dbraw/zinc/00/58/45/578005845.db2.gz LIWQUVVYMBQORL-UHFFFAOYSA-N -1 1 344.352 2.309 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cccc(Cl)c21 ZINC000738259509 578006460 /nfs/dbraw/zinc/00/64/60/578006460.db2.gz QQMVDTDCTPOVCJ-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cccc(Cl)c21 ZINC000738259509 578006461 /nfs/dbraw/zinc/00/64/61/578006461.db2.gz QQMVDTDCTPOVCJ-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCc4n[nH]cc4C3)c12 ZINC000738363447 578010802 /nfs/dbraw/zinc/01/08/02/578010802.db2.gz GVULCYYTQIGJAA-JTQLQIEISA-N -1 1 343.412 2.121 20 0 EEADMM c1ccc(NCCNc2cc(-c3nn[n-]n3)nc3ccccc32)nc1 ZINC000738434636 578015013 /nfs/dbraw/zinc/01/50/13/578015013.db2.gz GVNVXTUCPYNUQM-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM Fc1cc(Nc2nccnc2-c2nnn[n-]2)cc(F)c1N1CCCC1 ZINC000737651254 576109032 /nfs/dbraw/zinc/10/90/32/576109032.db2.gz JMYKPNTYRZAREQ-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Fc1cc(Nc2nccnc2-c2nn[n-]n2)cc(F)c1N1CCCC1 ZINC000737651254 576109036 /nfs/dbraw/zinc/10/90/36/576109036.db2.gz JMYKPNTYRZAREQ-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM C[C@@H](OC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000737707453 576487275 /nfs/dbraw/zinc/48/72/75/576487275.db2.gz XCNGBEGVMDHGRU-ABAIWWIYSA-N -1 1 345.317 2.457 20 0 EEADMM C[C@H]1CN(CCCNc2c3ccccc3nnc2C(=O)[O-])C[C@H](C)O1 ZINC000737761642 577004664 /nfs/dbraw/zinc/00/46/64/577004664.db2.gz BYHIIHFCSJSOAD-STQMWFEESA-N -1 1 344.415 2.239 20 0 EEADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])N1CCCC1=O ZINC000730359702 577025849 /nfs/dbraw/zinc/02/58/49/577025849.db2.gz MMLMSQBWQHBKHG-UHFFFAOYSA-N -1 1 332.139 2.005 20 0 EEADMM CO[C@H](CNC(=O)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000733367609 577226096 /nfs/dbraw/zinc/22/60/96/577226096.db2.gz PTEXUEROVLSSLK-SECBINFHSA-N -1 1 342.111 2.462 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1cccnc1 ZINC000733471039 577237929 /nfs/dbraw/zinc/23/79/29/577237929.db2.gz FXXWWCGVEIZGSS-UHFFFAOYSA-N -1 1 326.356 2.123 20 0 EEADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)NC(=O)Nc1ccccc1 ZINC000773572282 577352344 /nfs/dbraw/zinc/35/23/44/577352344.db2.gz WHEBYLCYZJQMPL-JTQLQIEISA-N -1 1 346.314 2.425 20 0 EEADMM COc1ccc(/C=C\C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774882872 577422080 /nfs/dbraw/zinc/42/20/80/577422080.db2.gz LSEJHFCIFGXILU-YVMONPNESA-N -1 1 331.290 2.320 20 0 EEADMM O=C(Cc1c[nH]c2cc(F)ccc12)OCCC[N-]C(=O)C(F)(F)F ZINC000774939436 577424005 /nfs/dbraw/zinc/42/40/05/577424005.db2.gz KBACKOMUVVSWEZ-UHFFFAOYSA-N -1 1 346.280 2.461 20 0 EEADMM O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563028 577462405 /nfs/dbraw/zinc/46/24/05/577462405.db2.gz XAPFMMBTCGCTLT-REWJHTLYSA-N -1 1 335.477 2.423 20 0 EEADMM Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000777359574 577477134 /nfs/dbraw/zinc/47/71/34/577477134.db2.gz BGKKQCZROAAXJM-AAEUAGOBSA-N -1 1 332.404 2.028 20 0 EEADMM C[C@H](OCc1ccccc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000769194260 577572163 /nfs/dbraw/zinc/57/21/63/577572163.db2.gz KFJXMZXZTVOJKV-NSHDSACASA-N -1 1 333.306 2.204 20 0 EEADMM O=C(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1c([O-])cccc1Cl ZINC000770018316 577589078 /nfs/dbraw/zinc/58/90/78/577589078.db2.gz YFRXSIOARKEPDR-KBPBESRZSA-N -1 1 338.835 2.419 20 0 EEADMM Cc1cc(C)c(N2C[C@@H](C(=O)[N-]OCC(F)F)CC2=O)c(C)c1 ZINC000759336022 577641206 /nfs/dbraw/zinc/64/12/06/577641206.db2.gz AROXQEFAEKXLJP-LBPRGKRZSA-N -1 1 326.343 2.278 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C[C@H]2CC[C@@H](C)C2)cc1 ZINC000759414767 577642383 /nfs/dbraw/zinc/64/23/83/577642383.db2.gz GYRLYCCSMIVPTK-OLZOCXBDSA-N -1 1 333.384 2.321 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCSC2)o1 ZINC000762148595 577696131 /nfs/dbraw/zinc/69/61/31/577696131.db2.gz LKYYTFGGHMNBJU-SNVBAGLBSA-N -1 1 347.458 2.266 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000744699601 577901669 /nfs/dbraw/zinc/90/16/69/577901669.db2.gz XMRAFJPBOXNQBR-HNNXBMFYSA-N -1 1 347.411 2.328 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4C(=O)[O-])C3)[nH]c2c1 ZINC000738667150 578023268 /nfs/dbraw/zinc/02/32/68/578023268.db2.gz DNQSYFDSBLGLGO-FRRDWIJNSA-N -1 1 327.384 2.298 20 0 EEADMM Cc1ccccc1[C@@H]1CC(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000738761197 578025998 /nfs/dbraw/zinc/02/59/98/578025998.db2.gz POIJFAMTXHUQLP-WBVHZDCISA-N -1 1 342.439 2.455 20 0 EEADMM CC(=O)Nc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000735484485 578156925 /nfs/dbraw/zinc/15/69/25/578156925.db2.gz NCTGKCADKIMNCL-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(=O)Nc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000735484485 578156926 /nfs/dbraw/zinc/15/69/26/578156926.db2.gz NCTGKCADKIMNCL-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)no1 ZINC000735939012 578173296 /nfs/dbraw/zinc/17/32/96/578173296.db2.gz HEVXDSCPNXOKMI-LLVKDONJSA-N -1 1 340.391 2.152 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)no1 ZINC000735939012 578173297 /nfs/dbraw/zinc/17/32/97/578173297.db2.gz HEVXDSCPNXOKMI-LLVKDONJSA-N -1 1 340.391 2.152 20 0 EEADMM CC(C)n1ccnc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735965053 578175597 /nfs/dbraw/zinc/17/55/97/578175597.db2.gz JSZPRIQPZGCSLV-UHFFFAOYSA-N -1 1 335.371 2.007 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000736118438 578181767 /nfs/dbraw/zinc/18/17/67/578181767.db2.gz JVBCCBWTTJXMPF-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000736118438 578181768 /nfs/dbraw/zinc/18/17/68/578181768.db2.gz JVBCCBWTTJXMPF-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](CN(C)Cc1nc2sc3c(c2c(N)n1)CCCC3)C(=O)[O-] ZINC000736576794 578212669 /nfs/dbraw/zinc/21/26/69/578212669.db2.gz KSMUJHPRSMUFOX-VIFPVBQESA-N -1 1 334.445 2.305 20 0 EEADMM CCOc1cc(NC(=O)N2CCC(c3nn[n-]n3)CC2)ccc1C ZINC000736625132 578215365 /nfs/dbraw/zinc/21/53/65/578215365.db2.gz KEGUTCYMZRWYNV-UHFFFAOYSA-N -1 1 330.392 2.318 20 0 EEADMM CCCc1nnc([C@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)[nH]1 ZINC000737051504 578235319 /nfs/dbraw/zinc/23/53/19/578235319.db2.gz TYHXKICVVQVFRH-ZWNOBZJWSA-N -1 1 334.376 2.183 20 0 EEADMM CCCc1n[nH]c([C@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)n1 ZINC000737051504 578235320 /nfs/dbraw/zinc/23/53/20/578235320.db2.gz TYHXKICVVQVFRH-ZWNOBZJWSA-N -1 1 334.376 2.183 20 0 EEADMM COc1ccc2[nH]cc(CCNc3cccc(-c4nnn[n-]4)n3)c2c1 ZINC000737113684 578238715 /nfs/dbraw/zinc/23/87/15/578238715.db2.gz DRBOTHZATLRVNR-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM COc1ccc2[nH]cc(CCNc3cccc(-c4nn[n-]n4)n3)c2c1 ZINC000737113684 578238716 /nfs/dbraw/zinc/23/87/16/578238716.db2.gz DRBOTHZATLRVNR-UHFFFAOYSA-N -1 1 335.371 2.406 20 0 EEADMM Cc1ccc(-c2nnc(Sc3cnc(-c4nnn[n-]4)cn3)o2)cc1 ZINC000737290462 578248384 /nfs/dbraw/zinc/24/83/84/578248384.db2.gz VYWJWIQOKKNBCA-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccc(-c2nnc(Sc3cnc(-c4nn[n-]n4)cn3)o2)cc1 ZINC000737290462 578248385 /nfs/dbraw/zinc/24/83/85/578248385.db2.gz VYWJWIQOKKNBCA-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737357548 578252286 /nfs/dbraw/zinc/25/22/86/578252286.db2.gz CNQPUORVYSPINV-KRWDZBQOSA-N -1 1 326.396 2.425 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000737357814 578252339 /nfs/dbraw/zinc/25/23/39/578252339.db2.gz FCGNCURTDZUTCV-IIAWOOMASA-N -1 1 336.407 2.436 20 0 EEADMM CN(C)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000737358295 578252438 /nfs/dbraw/zinc/25/24/38/578252438.db2.gz LDINYOPQTLPFSS-CQSZACIVSA-N -1 1 349.362 2.219 20 0 EEADMM Cc1cccc(C)c1OCCCn1cccc(-c2nn[n-]n2)c1=O ZINC000737390150 578254318 /nfs/dbraw/zinc/25/43/18/578254318.db2.gz QJYMPPRJWBYQJG-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM CN(c1cccnn1)C1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000737505602 578261489 /nfs/dbraw/zinc/26/14/89/578261489.db2.gz AVZSCLZNCIOWGW-UHFFFAOYSA-N -1 1 344.390 2.415 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCCCCC1 ZINC000737848006 578270848 /nfs/dbraw/zinc/27/08/48/578270848.db2.gz NGDBQMCZMMMZDA-UHFFFAOYSA-N -1 1 349.826 2.120 20 0 EEADMM O=C(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCCCCC1 ZINC000737848006 578270849 /nfs/dbraw/zinc/27/08/49/578270849.db2.gz NGDBQMCZMMMZDA-UHFFFAOYSA-N -1 1 349.826 2.120 20 0 EEADMM CC(C)(CO)CCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000819983757 599572893 /nfs/dbraw/zinc/57/28/93/599572893.db2.gz DVZQZRQDZBKBLM-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM CC(C)(CO)CCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000819983757 599572895 /nfs/dbraw/zinc/57/28/95/599572895.db2.gz DVZQZRQDZBKBLM-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(C)o1 ZINC000822190777 599577324 /nfs/dbraw/zinc/57/73/24/599577324.db2.gz AHFFIFFYVUUBMN-HNNXBMFYSA-N -1 1 348.794 2.445 20 0 EEADMM Cc1cc([C@@](C)(O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(C)o1 ZINC000822190777 599577326 /nfs/dbraw/zinc/57/73/26/599577326.db2.gz AHFFIFFYVUUBMN-HNNXBMFYSA-N -1 1 348.794 2.445 20 0 EEADMM C[C@@H](NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000405359962 600306937 /nfs/dbraw/zinc/30/69/37/600306937.db2.gz NNULHPSFMGYGRG-DOMZBBRYSA-N -1 1 334.391 2.190 20 0 EEADMM COC[C@@H](C)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000831643974 601001213 /nfs/dbraw/zinc/00/12/13/601001213.db2.gz UJYXSIAOTBFUHQ-DOMZBBRYSA-N -1 1 326.824 2.118 20 0 EEADMM C[C@](NCC(=O)Nc1ccc(C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827728639 601033795 /nfs/dbraw/zinc/03/37/95/601033795.db2.gz UJULAMPJOUUUNS-CQSZACIVSA-N -1 1 330.306 2.487 20 0 EEADMM CCc1cc2c(C[NH2+][C@@](C)(C(=O)[O-])C3CC3)cc(=O)oc2cc1[O-] ZINC000830224515 601035747 /nfs/dbraw/zinc/03/57/47/601035747.db2.gz PEJLWQDDPKXHTJ-GOSISDBHSA-N -1 1 331.368 2.404 20 0 EEADMM Cc1cccc(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c1C ZINC000832971272 601338382 /nfs/dbraw/zinc/33/83/82/601338382.db2.gz UZHTUXWOSVDSFP-CYBMUJFWSA-N -1 1 335.473 2.481 20 0 EEADMM CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000829126343 601497870 /nfs/dbraw/zinc/49/78/70/601497870.db2.gz XBNMYLBMFCAEAR-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM CCc1ncsc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825755113 607540735 /nfs/dbraw/zinc/54/07/35/607540735.db2.gz NSJXEAJNWIUXCS-UHFFFAOYSA-N -1 1 346.420 2.089 20 0 EEADMM CCc1ncsc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825755113 607540736 /nfs/dbraw/zinc/54/07/36/607540736.db2.gz NSJXEAJNWIUXCS-UHFFFAOYSA-N -1 1 346.420 2.089 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])[nH]1 ZINC000833021478 602050480 /nfs/dbraw/zinc/05/04/80/602050480.db2.gz MRNWXYVQPJMWAM-RYUDHWBXSA-N -1 1 340.449 2.135 20 0 EEADMM Cc1c(Cl)ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1N ZINC000826237054 607604830 /nfs/dbraw/zinc/60/48/30/607604830.db2.gz MBHUGGUSQANDQZ-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM Cc1c(Cl)ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1N ZINC000826237054 607604832 /nfs/dbraw/zinc/60/48/32/607604832.db2.gz MBHUGGUSQANDQZ-UHFFFAOYSA-N -1 1 344.762 2.163 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825147662 607606723 /nfs/dbraw/zinc/60/67/23/607606723.db2.gz LEWLCWZWIHBSAU-AWEZNQCLSA-N -1 1 338.371 2.196 20 0 EEADMM CC[C@H](Nc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825147662 607606724 /nfs/dbraw/zinc/60/67/24/607606724.db2.gz LEWLCWZWIHBSAU-AWEZNQCLSA-N -1 1 338.371 2.196 20 0 EEADMM Clc1nsc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC000826354019 607681188 /nfs/dbraw/zinc/68/11/88/607681188.db2.gz MWKWFHXQROHFKR-RKDXNWHRSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC[C@@H]([C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC000826354019 607681190 /nfs/dbraw/zinc/68/11/90/607681190.db2.gz MWKWFHXQROHFKR-RKDXNWHRSA-N -1 1 340.840 2.230 20 0 EEADMM Cc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000832979715 604804915 /nfs/dbraw/zinc/80/49/15/604804915.db2.gz PFEZQUJMWHWAKY-GOSISDBHSA-N -1 1 325.412 2.334 20 0 EEADMM C[C@H]1C[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C[C@@H](C)C1 ZINC000833593241 605053442 /nfs/dbraw/zinc/05/34/42/605053442.db2.gz HNAJCVHXBVOPJO-BARDWOONSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccccc1Cl ZINC000833621241 605108479 /nfs/dbraw/zinc/10/84/79/605108479.db2.gz MXMQVEFZJVGDFY-FMFIFOJESA-N -1 1 336.819 2.361 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@@H]1C ZINC000833611687 605135012 /nfs/dbraw/zinc/13/50/12/605135012.db2.gz ZJZVLWBQKVYPDM-TUVASFSCSA-N -1 1 325.453 2.002 20 0 EEADMM C/C(=C/CN[C@@H](CCO)c1ccccc1Br)C(=O)[O-] ZINC000833383878 605138096 /nfs/dbraw/zinc/13/80/96/605138096.db2.gz OKWXKALGEDAXAR-HKBVPSITSA-N -1 1 328.206 2.493 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CNC(C)(C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833638037 605171676 /nfs/dbraw/zinc/17/16/76/605171676.db2.gz HKKVXBNQDOQEOR-BONVTDFDSA-N -1 1 342.386 2.405 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)CCN1CCC(=O)[O-] ZINC000833621098 605250173 /nfs/dbraw/zinc/25/01/73/605250173.db2.gz JSAJDUGJXNGQKH-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCN1CCC(=O)[O-] ZINC000833617582 605253030 /nfs/dbraw/zinc/25/30/30/605253030.db2.gz FGKHCKMUUHQDRJ-CQSZACIVSA-N -1 1 348.418 2.255 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2)[nH]n1 ZINC000831031874 605337239 /nfs/dbraw/zinc/33/72/39/605337239.db2.gz WNGZBMNCMNMIEB-UHFFFAOYSA-N -1 1 326.316 2.152 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623172 606243267 /nfs/dbraw/zinc/24/32/67/606243267.db2.gz HILRMUANWUDOSK-GUYCJALGSA-N -1 1 339.403 2.163 20 0 EEADMM C[C@@]1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623172 606243269 /nfs/dbraw/zinc/24/32/69/606243269.db2.gz HILRMUANWUDOSK-GUYCJALGSA-N -1 1 339.403 2.163 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000823289202 606294381 /nfs/dbraw/zinc/29/43/81/606294381.db2.gz FYFNHQPFTRNDTI-AUUYWEPGSA-N -1 1 347.378 2.415 20 0 EEADMM O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1F ZINC000823690603 606452608 /nfs/dbraw/zinc/45/26/08/606452608.db2.gz PRGDJIIGDGHBIH-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1F ZINC000823690603 606452609 /nfs/dbraw/zinc/45/26/09/606452609.db2.gz PRGDJIIGDGHBIH-LLVKDONJSA-N -1 1 334.742 2.200 20 0 EEADMM CC(C)[C@@H]1OCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820045604 606471778 /nfs/dbraw/zinc/47/17/78/606471778.db2.gz OFRUENOFXQZMCC-APPZFPTMSA-N -1 1 328.829 2.450 20 0 EEADMM CC(C)[C@@H]1OCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820045604 606471780 /nfs/dbraw/zinc/47/17/80/606471780.db2.gz OFRUENOFXQZMCC-APPZFPTMSA-N -1 1 328.829 2.450 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2c2ccco2)nc1-c1nnn[n-]1 ZINC000822578611 606476530 /nfs/dbraw/zinc/47/65/30/606476530.db2.gz LVAMFBYNOGMHOX-JTQLQIEISA-N -1 1 332.751 2.086 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC000822578611 606476531 /nfs/dbraw/zinc/47/65/31/606476531.db2.gz LVAMFBYNOGMHOX-JTQLQIEISA-N -1 1 332.751 2.086 20 0 EEADMM COc1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC ZINC000821868606 606490226 /nfs/dbraw/zinc/49/02/26/606490226.db2.gz SIZOGIRLPNBEQD-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC ZINC000821868606 606490227 /nfs/dbraw/zinc/49/02/27/606490227.db2.gz SIZOGIRLPNBEQD-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822229509 606532320 /nfs/dbraw/zinc/53/23/20/606532320.db2.gz WBNTXOWOVOQFFY-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822229509 606532321 /nfs/dbraw/zinc/53/23/21/606532321.db2.gz WBNTXOWOVOQFFY-UHFFFAOYSA-N -1 1 341.375 2.039 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2cc(Cl)ccc2o1 ZINC000823289082 606532936 /nfs/dbraw/zinc/53/29/36/606532936.db2.gz ASFMZDJWUPOELL-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2cc(Cl)ccc2o1 ZINC000823289082 606532937 /nfs/dbraw/zinc/53/29/37/606532937.db2.gz ASFMZDJWUPOELL-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM CCOc1ccccc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821430667 606547488 /nfs/dbraw/zinc/54/74/88/606547488.db2.gz BVKVLMQJMUJFEJ-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM CCOc1ccccc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821430667 606547490 /nfs/dbraw/zinc/54/74/90/606547490.db2.gz BVKVLMQJMUJFEJ-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(C)nn(C)c1C ZINC000820920782 606575739 /nfs/dbraw/zinc/57/57/39/606575739.db2.gz SMRPRLDSRSDVDK-SNVBAGLBSA-N -1 1 345.432 2.160 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1c(C)nn(C)c1C ZINC000820920782 606575741 /nfs/dbraw/zinc/57/57/41/606575741.db2.gz SMRPRLDSRSDVDK-SNVBAGLBSA-N -1 1 345.432 2.160 20 0 EEADMM CCO[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821347201 606647339 /nfs/dbraw/zinc/64/73/39/606647339.db2.gz SRHNMBUNKCECBS-OAHLLOKOSA-N -1 1 339.355 2.083 20 0 EEADMM CCO[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821347201 606647340 /nfs/dbraw/zinc/64/73/40/606647340.db2.gz SRHNMBUNKCECBS-OAHLLOKOSA-N -1 1 339.355 2.083 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000823435884 606649846 /nfs/dbraw/zinc/64/98/46/606649846.db2.gz CLENRVZWOLBTAA-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000823435884 606649847 /nfs/dbraw/zinc/64/98/47/606649847.db2.gz CLENRVZWOLBTAA-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823436432 606649876 /nfs/dbraw/zinc/64/98/76/606649876.db2.gz VKIOYGAZYOMDTB-KBPBESRZSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000823436432 606649877 /nfs/dbraw/zinc/64/98/77/606649877.db2.gz VKIOYGAZYOMDTB-KBPBESRZSA-N -1 1 339.330 2.248 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)cc(F)c1 ZINC000820508819 606686601 /nfs/dbraw/zinc/68/66/01/606686601.db2.gz YJUGKGRFTADHJY-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)cc(F)c1 ZINC000820508819 606686602 /nfs/dbraw/zinc/68/66/02/606686602.db2.gz YJUGKGRFTADHJY-QMMMGPOBSA-N -1 1 331.282 2.458 20 0 EEADMM COCCOc1cc(C)ccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000821692826 606727498 /nfs/dbraw/zinc/72/74/98/606727498.db2.gz DQWCEMDNCXVYBZ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM COCCOc1cc(C)ccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000821692826 606727499 /nfs/dbraw/zinc/72/74/99/606727499.db2.gz DQWCEMDNCXVYBZ-UHFFFAOYSA-N -1 1 340.387 2.207 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823170771 606872275 /nfs/dbraw/zinc/87/22/75/606872275.db2.gz HWTPRVNZNTZLLJ-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823170771 606872277 /nfs/dbraw/zinc/87/22/77/606872277.db2.gz HWTPRVNZNTZLLJ-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823162608 606876659 /nfs/dbraw/zinc/87/66/59/606876659.db2.gz XSUDGMVOPGMQOL-SECBINFHSA-N -1 1 347.787 2.445 20 0 EEADMM O=C(N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823162608 606876661 /nfs/dbraw/zinc/87/66/61/606876661.db2.gz XSUDGMVOPGMQOL-SECBINFHSA-N -1 1 347.787 2.445 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821127206 607140800 /nfs/dbraw/zinc/14/08/00/607140800.db2.gz CUPCUFOTXKZPFJ-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821127206 607140802 /nfs/dbraw/zinc/14/08/02/607140802.db2.gz CUPCUFOTXKZPFJ-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CC1CCC(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824915751 607863321 /nfs/dbraw/zinc/86/33/21/607863321.db2.gz IBMSJQWVZQHBKU-UHFFFAOYSA-N -1 1 333.367 2.080 20 0 EEADMM CC1CCC(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824915751 607863322 /nfs/dbraw/zinc/86/33/22/607863322.db2.gz IBMSJQWVZQHBKU-UHFFFAOYSA-N -1 1 333.367 2.080 20 0 EEADMM O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826462036 607964409 /nfs/dbraw/zinc/96/44/09/607964409.db2.gz MQSKSMVFXIKVFF-CBAPKCEASA-N -1 1 348.306 2.195 20 0 EEADMM COc1ccccc1C(C)(C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826218695 608407158 /nfs/dbraw/zinc/40/71/58/608407158.db2.gz IWURGDGPWFXFEJ-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccccc1C(C)(C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826218695 608407159 /nfs/dbraw/zinc/40/71/59/608407159.db2.gz IWURGDGPWFXFEJ-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1cccc(C(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826214148 608435727 /nfs/dbraw/zinc/43/57/27/608435727.db2.gz BVFSUYFUBWSZQV-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1cccc(C(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826214148 608435728 /nfs/dbraw/zinc/43/57/28/608435728.db2.gz BVFSUYFUBWSZQV-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM CC[C@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)nn2)c1C1CC1 ZINC000825080560 608438886 /nfs/dbraw/zinc/43/88/86/608438886.db2.gz AKVUEPNIGJDWAZ-VIFPVBQESA-N -1 1 325.380 2.445 20 0 EEADMM CC[C@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)nn2)c1C1CC1 ZINC000825080560 608438887 /nfs/dbraw/zinc/43/88/87/608438887.db2.gz AKVUEPNIGJDWAZ-VIFPVBQESA-N -1 1 325.380 2.445 20 0 EEADMM CCc1nc([C@@H]2CCCCN2Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000825745129 608617639 /nfs/dbraw/zinc/61/76/39/608617639.db2.gz ILXRXVJMQQNKIP-NSHDSACASA-N -1 1 329.364 2.132 20 0 EEADMM CCc1nc([C@@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000825745129 608617641 /nfs/dbraw/zinc/61/76/41/608617641.db2.gz ILXRXVJMQQNKIP-NSHDSACASA-N -1 1 329.364 2.132 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@@H](c2ccccc2)CO1 ZINC000824984864 608727827 /nfs/dbraw/zinc/72/78/27/608727827.db2.gz OQAISNIUIXEOED-IUODEOHRSA-N -1 1 325.372 2.422 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@@H](c2ccccc2)CO1 ZINC000824984864 608727829 /nfs/dbraw/zinc/72/78/29/608727829.db2.gz OQAISNIUIXEOED-IUODEOHRSA-N -1 1 325.372 2.422 20 0 EEADMM CC(C)C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824235110 609235343 /nfs/dbraw/zinc/23/53/43/609235343.db2.gz CBAMBODEMCNQGF-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824235110 609235344 /nfs/dbraw/zinc/23/53/44/609235344.db2.gz CBAMBODEMCNQGF-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM FC(F)O[C@H]1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000826369793 609317291 /nfs/dbraw/zinc/31/72/91/609317291.db2.gz QOOIFMRNQTUHLJ-ZETCQYMHSA-N -1 1 330.726 2.123 20 0 EEADMM FC(F)O[C@H]1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000826369793 609317292 /nfs/dbraw/zinc/31/72/92/609317292.db2.gz QOOIFMRNQTUHLJ-ZETCQYMHSA-N -1 1 330.726 2.123 20 0 EEADMM Fc1cccc(-n2ccc(NCc3ccccn3)n2)c1-c1nn[n-]n1 ZINC000826376704 609321090 /nfs/dbraw/zinc/32/10/90/609321090.db2.gz OLCYHIUVUGAWMQ-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM CC[C@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825183231 609417161 /nfs/dbraw/zinc/41/71/61/609417161.db2.gz NXVGAFSIJJTXBF-PWSUYJOCSA-N -1 1 331.376 2.106 20 0 EEADMM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)c1ccccc1 ZINC000866842491 674593486 /nfs/dbraw/zinc/59/34/86/674593486.db2.gz CPUMKBRRDJWWAJ-AWEZNQCLSA-N -1 1 331.340 2.403 20 0 EEADMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845423 674603239 /nfs/dbraw/zinc/60/32/39/674603239.db2.gz HDXATLLOJJTWJK-PELKAZGASA-N -1 1 341.260 2.464 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3ccc(F)cc3C)C2)c1[O-] ZINC000969500141 675078886 /nfs/dbraw/zinc/07/88/86/675078886.db2.gz IANJBYFFLXDWBE-NSHDSACASA-N -1 1 346.406 2.122 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cccc(F)c2F)C1 ZINC000969546914 675096042 /nfs/dbraw/zinc/09/60/42/675096042.db2.gz WBVHNWBGUYWHSY-NSHDSACASA-N -1 1 347.365 2.316 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccc(F)c(F)c2)C1 ZINC000969544932 675099936 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Cn1nc(CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c2ccccc21 ZINC000891616077 676723393 /nfs/dbraw/zinc/72/33/93/676723393.db2.gz YEJLYLICLFGUCT-UHFFFAOYSA-N -1 1 337.383 2.129 20 0 EEADMM COCCOC1CCC(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC000891618602 676726648 /nfs/dbraw/zinc/72/66/48/676726648.db2.gz RMHMJXBNTWJWLI-UHFFFAOYSA-N -1 1 349.431 2.221 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccnc1N1CCCC1 ZINC000891625558 676734484 /nfs/dbraw/zinc/73/44/84/676734484.db2.gz ZGFGCAPMVNBIDO-UHFFFAOYSA-N -1 1 339.399 2.309 20 0 EEADMM COCc1nc(NCc2ccccc2CN2CCCC2=O)cc(=O)[n-]1 ZINC000891719386 676800752 /nfs/dbraw/zinc/80/07/52/676800752.db2.gz RDAVHIKAKCSZKU-UHFFFAOYSA-N -1 1 342.399 2.063 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000866861011 677922694 /nfs/dbraw/zinc/92/26/94/677922694.db2.gz CXIPEVACRCQVOR-ZDUSSCGKSA-N -1 1 332.491 2.441 20 0 EEADMM CCc1cnc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C)o1 ZINC000947230658 678352713 /nfs/dbraw/zinc/35/27/13/678352713.db2.gz 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COC(=O)[C@@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000895087109 683827030 /nfs/dbraw/zinc/82/70/30/683827030.db2.gz VNKFJHMUFZAYFT-AWEZNQCLSA-N -1 1 331.393 2.276 20 0 EEADMM Cc1csc(NCCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)n1 ZINC000909458030 684072452 /nfs/dbraw/zinc/07/24/52/684072452.db2.gz KATFDHHRRAVJJL-UHFFFAOYSA-N -1 1 335.433 2.221 20 0 EEADMM CN(C(=O)[C@H]1CCC1(C)C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984110352 684112633 /nfs/dbraw/zinc/11/26/33/684112633.db2.gz AWTNEORTVQLGMK-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984112156 684114224 /nfs/dbraw/zinc/11/42/24/684114224.db2.gz GHDDZXHQLJDXGQ-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1 ZINC000909492543 684176966 /nfs/dbraw/zinc/17/69/66/684176966.db2.gz VUQKTDIRGOGCDK-BNOWGMLFSA-N -1 1 333.432 2.425 20 0 EEADMM CC[C@H]1CCC[C@]1(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974055091 684264615 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ZINC001609018341 1351816090 /nfs/dbraw/zinc/81/60/90/1351816090.db2.gz MVKRWLANANYKKN-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1cnc(-c2nn[n-]n2)c(NCCc2ccccn2)c1 ZINC001609018341 1351816094 /nfs/dbraw/zinc/81/60/94/1351816094.db2.gz MVKRWLANANYKKN-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM C[C@@]1(NC(=O)c2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001609150800 1351863676 /nfs/dbraw/zinc/86/36/76/1351863676.db2.gz SMNFBDDAHZSUKR-GOSISDBHSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@@]1(NC(=O)c2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001609150800 1351863679 /nfs/dbraw/zinc/86/36/79/1351863679.db2.gz SMNFBDDAHZSUKR-GOSISDBHSA-N -1 1 334.383 2.243 20 0 EEADMM C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324734908 1333748980 /nfs/dbraw/zinc/74/89/80/1333748980.db2.gz ZHIYWIDPKIRVHB-SSDOTTSWSA-N -1 1 327.233 2.216 20 0 EEADMM CCC(C)(C)NC(=O)[C@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001609182728 1351879627 /nfs/dbraw/zinc/87/96/27/1351879627.db2.gz OLJDKQKAHRGFSR-QMMMGPOBSA-N -1 1 340.478 2.250 20 0 EEADMM CCC(C)(C)NC(=O)[C@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001609182728 1351879628 /nfs/dbraw/zinc/87/96/28/1351879628.db2.gz OLJDKQKAHRGFSR-QMMMGPOBSA-N -1 1 340.478 2.250 20 0 EEADMM CCOC(=O)COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609233523 1351903522 /nfs/dbraw/zinc/90/35/22/1351903522.db2.gz GFGGCYUFKXWKEQ-UHFFFAOYSA-N -1 1 343.343 2.014 20 0 EEADMM CCOC(=O)COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609233523 1351903525 /nfs/dbraw/zinc/90/35/25/1351903525.db2.gz GFGGCYUFKXWKEQ-UHFFFAOYSA-N -1 1 343.343 2.014 20 0 EEADMM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609248062 1351908223 /nfs/dbraw/zinc/90/82/23/1351908223.db2.gz VTZBTOAYPUJTBX-GHMZBOCLSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609248062 1351908225 /nfs/dbraw/zinc/90/82/25/1351908225.db2.gz VTZBTOAYPUJTBX-GHMZBOCLSA-N -1 1 347.448 2.448 20 0 EEADMM CCc1cccc2c1OCC[C@@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609253091 1351909868 /nfs/dbraw/zinc/90/98/68/1351909868.db2.gz OMBIKRWSJZPVEN-LBPRGKRZSA-N -1 1 342.428 2.499 20 0 EEADMM CCc1cccc2c1OCC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609253091 1351909870 /nfs/dbraw/zinc/90/98/70/1351909870.db2.gz OMBIKRWSJZPVEN-LBPRGKRZSA-N -1 1 342.428 2.499 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609277701 1351919474 /nfs/dbraw/zinc/91/94/74/1351919474.db2.gz VGIVQIXHSHWORJ-UHFFFAOYSA-N -1 1 334.339 2.280 20 0 EEADMM CN(Cc1cc2ccccc2o1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609277701 1351919476 /nfs/dbraw/zinc/91/94/76/1351919476.db2.gz VGIVQIXHSHWORJ-UHFFFAOYSA-N -1 1 334.339 2.280 20 0 EEADMM COC(=O)c1c(F)ccc(NCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001609302041 1351925596 /nfs/dbraw/zinc/92/55/96/1351925596.db2.gz PHMUQHXGHYXNQR-UHFFFAOYSA-N -1 1 342.334 2.108 20 0 EEADMM COC(=O)c1c(F)ccc(NCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001609302041 1351925598 /nfs/dbraw/zinc/92/55/98/1351925598.db2.gz PHMUQHXGHYXNQR-UHFFFAOYSA-N -1 1 342.334 2.108 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2nc(Cl)c(-c3nnn[n-]3)s2)C12CCC2 ZINC001609313071 1351929754 /nfs/dbraw/zinc/92/97/54/1351929754.db2.gz BNPLIRYNBCRESJ-SFYZADRCSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@H]1C[C@@H](N(C)c2nc(Cl)c(-c3nn[n-]n3)s2)C12CCC2 ZINC001609313071 1351929756 /nfs/dbraw/zinc/92/97/56/1351929756.db2.gz BNPLIRYNBCRESJ-SFYZADRCSA-N -1 1 340.840 2.370 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(Cc2cccc(O)c2)CC2CC2)n1 ZINC001609391860 1351958067 /nfs/dbraw/zinc/95/80/67/1351958067.db2.gz YARWVAZIXGRYKB-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(Cc2cccc(O)c2)CC2CC2)n1 ZINC001609391860 1351958068 /nfs/dbraw/zinc/95/80/68/1351958068.db2.gz YARWVAZIXGRYKB-UHFFFAOYSA-N -1 1 337.387 2.087 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001609421843 1351969957 /nfs/dbraw/zinc/96/99/57/1351969957.db2.gz DMLMHPINICQTPT-HNNXBMFYSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609421843 1351969958 /nfs/dbraw/zinc/96/99/58/1351969958.db2.gz DMLMHPINICQTPT-HNNXBMFYSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1nc(C)c(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001609449397 1351982054 /nfs/dbraw/zinc/98/20/54/1351982054.db2.gz BYYFQKWLVMZSPF-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1nc(C)c(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001609449397 1351982056 /nfs/dbraw/zinc/98/20/56/1351982056.db2.gz BYYFQKWLVMZSPF-UHFFFAOYSA-N -1 1 332.364 2.009 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001609458151 1351985524 /nfs/dbraw/zinc/98/55/24/1351985524.db2.gz WAIPFGCCRNDFSL-SNVBAGLBSA-N -1 1 326.408 2.117 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001609458151 1351985526 /nfs/dbraw/zinc/98/55/26/1351985526.db2.gz WAIPFGCCRNDFSL-SNVBAGLBSA-N -1 1 326.408 2.117 20 0 EEADMM Cc1nn(Cc2ccc(C(C)(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459599 1351985898 /nfs/dbraw/zinc/98/58/98/1351985898.db2.gz NTPBEVDOIJIPOW-UHFFFAOYSA-N -1 1 338.415 2.386 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609462311 1351986308 /nfs/dbraw/zinc/98/63/08/1351986308.db2.gz NOSWOKNKKKBUPA-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609462311 1351986312 /nfs/dbraw/zinc/98/63/12/1351986312.db2.gz NOSWOKNKKKBUPA-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cn1c(SCc2nc(-c3nnn[n-]3)cs2)nnc1C1CCC1 ZINC001609477115 1351991581 /nfs/dbraw/zinc/99/15/81/1351991581.db2.gz YTRYPVHDCKHNRM-UHFFFAOYSA-N -1 1 334.434 2.012 20 0 EEADMM Cn1c(SCc2nc(-c3nn[n-]n3)cs2)nnc1C1CCC1 ZINC001609477115 1351991582 /nfs/dbraw/zinc/99/15/82/1351991582.db2.gz YTRYPVHDCKHNRM-UHFFFAOYSA-N -1 1 334.434 2.012 20 0 EEADMM O=C(CCC(F)(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609521766 1352004279 /nfs/dbraw/zinc/00/42/79/1352004279.db2.gz KYTIGBSUJDWABW-UHFFFAOYSA-N -1 1 326.691 2.258 20 0 EEADMM Cc1nn(-c2ccccn2)c(Cl)c1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001332473817 1335831542 /nfs/dbraw/zinc/83/15/42/1335831542.db2.gz SODLEKPAQOEGRL-NEPJUHHUSA-N -1 1 332.791 2.348 20 0 EEADMM CC(C)(C)n1ncnc1C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001609672673 1352054974 /nfs/dbraw/zinc/05/49/74/1352054974.db2.gz HPCWOZYUJOSBRA-LSDHHAIUSA-N -1 1 344.415 2.039 20 0 EEADMM CC(C)(C)n1ncnc1CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001609672673 1352054978 /nfs/dbraw/zinc/05/49/78/1352054978.db2.gz HPCWOZYUJOSBRA-LSDHHAIUSA-N -1 1 344.415 2.039 20 0 EEADMM CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001609694905 1352061588 /nfs/dbraw/zinc/06/15/88/1352061588.db2.gz BDXSNGPHTYBPQQ-INIZCTEOSA-N -1 1 340.445 2.258 20 0 EEADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001609775292 1352082140 /nfs/dbraw/zinc/08/21/40/1352082140.db2.gz NSAUPBSDONGKAV-CXAGYDPISA-N -1 1 345.443 2.457 20 0 EEADMM CC1(c2cccc(Cl)c2)CCN(CC(=O)NCCC(=O)[O-])CC1 ZINC001609825832 1352095086 /nfs/dbraw/zinc/09/50/86/1352095086.db2.gz ZYDGFOLEIOITGA-UHFFFAOYSA-N -1 1 338.835 2.284 20 0 EEADMM CC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C1CCCC1 ZINC001609928034 1352122382 /nfs/dbraw/zinc/12/23/82/1352122382.db2.gz HGAPCRBLZHLBTJ-UKRRQHHQSA-N -1 1 325.453 2.146 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(Cc2nn[nH]n2)CC1 ZINC001347563806 1337513728 /nfs/dbraw/zinc/51/37/28/1337513728.db2.gz QELHUSOZNIPQAO-UHFFFAOYSA-N -1 1 337.383 2.153 20 0 EEADMM Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)s1 ZINC001350232927 1337685304 /nfs/dbraw/zinc/68/53/04/1337685304.db2.gz BSXIQISLDDMIQD-GFCCVEGCSA-N -1 1 340.412 2.261 20 0 EEADMM CN(C(=O)c1ccn(-c2ccncc2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC001610096584 1352161073 /nfs/dbraw/zinc/16/10/73/1352161073.db2.gz ZQCABDUXPXHWLR-INIZCTEOSA-N -1 1 336.351 2.165 20 0 EEADMM COC(=O)c1ccc(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)nc1 ZINC001610209132 1352186175 /nfs/dbraw/zinc/18/61/75/1352186175.db2.gz BSUQKDQVYWMOMY-GFCCVEGCSA-N -1 1 344.367 2.182 20 0 EEADMM COc1cc(S(=O)(=O)[N-]c2cccc(CO)c2C)ccc1F ZINC001200510216 1338378082 /nfs/dbraw/zinc/37/80/82/1338378082.db2.gz UIPHUPQJHYXRDW-UHFFFAOYSA-N -1 1 325.361 2.436 20 0 EEADMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnoc1C1CC1 ZINC001610289024 1352200364 /nfs/dbraw/zinc/20/03/64/1352200364.db2.gz HKCKJIQMGUKZSJ-UHFFFAOYSA-N -1 1 338.341 2.060 20 0 EEADMM COc1ccc(OC)c(CN(CCO)Cc2ccccc2C(=O)[O-])c1 ZINC001610343219 1352208403 /nfs/dbraw/zinc/20/84/03/1352208403.db2.gz IYEWRKSAAOHEST-UHFFFAOYSA-N -1 1 345.395 2.397 20 0 EEADMM CS(=O)(=O)C1(CNCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001610372406 1352212802 /nfs/dbraw/zinc/21/28/02/1352212802.db2.gz NMYJQDJZSRRSEY-UHFFFAOYSA-N -1 1 349.408 2.312 20 0 EEADMM C[C@@H]1C[N@@H+](CN2C(=O)C3(CCC3)[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001610392384 1352215288 /nfs/dbraw/zinc/21/52/88/1352215288.db2.gz KPCINYRANXMHAZ-FVQBIDKESA-N -1 1 328.412 2.350 20 0 EEADMM C[C@@H]1CN(CN2C(=O)C3(CCC3)[C@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001610392384 1352215289 /nfs/dbraw/zinc/21/52/89/1352215289.db2.gz KPCINYRANXMHAZ-FVQBIDKESA-N -1 1 328.412 2.350 20 0 EEADMM Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(F)c1Cl ZINC001610484361 1352230619 /nfs/dbraw/zinc/23/06/19/1352230619.db2.gz WTRWINANCNLDJO-NSHDSACASA-N -1 1 342.798 2.409 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(N(C)C)n1 ZINC001610510173 1352235957 /nfs/dbraw/zinc/23/59/57/1352235957.db2.gz YEVKRHNOVMOYGE-UHFFFAOYSA-N -1 1 349.412 2.263 20 0 EEADMM NC(=O)NC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001610638203 1352256702 /nfs/dbraw/zinc/25/67/02/1352256702.db2.gz JAETTYQXACZPAR-GFCCVEGCSA-N -1 1 346.214 2.252 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cccc2nc[nH]c21)c1ccc(F)cc1 ZINC001610686183 1352260097 /nfs/dbraw/zinc/26/00/97/1352260097.db2.gz JEZFJVCXOIBPGL-CYBMUJFWSA-N -1 1 327.315 2.300 20 0 EEADMM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001610702674 1352262156 /nfs/dbraw/zinc/26/21/56/1352262156.db2.gz YOBGYCYKFQEPFP-KGLIPLIRSA-N -1 1 328.372 2.235 20 0 EEADMM O=C([O-])[C@H]1C[C@H](O)CN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC001610734559 1352266796 /nfs/dbraw/zinc/26/67/96/1352266796.db2.gz BPDHHWKQFRBCRK-ZFWWWQNUSA-N -1 1 339.819 2.396 20 0 EEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1 ZINC001610793968 1352275714 /nfs/dbraw/zinc/27/57/14/1352275714.db2.gz XMYVGNNEDQQWHM-UHFFFAOYSA-N -1 1 346.408 2.388 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2cccc(O)c2)CC1 ZINC001610796919 1352276189 /nfs/dbraw/zinc/27/61/89/1352276189.db2.gz UGHSIIZIMDARFZ-UHFFFAOYSA-N -1 1 326.396 2.342 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1 ZINC001610821392 1352280538 /nfs/dbraw/zinc/28/05/38/1352280538.db2.gz HFCOEGZKKVTIHQ-OAHLLOKOSA-N -1 1 336.351 2.217 20 0 EEADMM CC[C@@H](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001447279573 1342081955 /nfs/dbraw/zinc/08/19/55/1342081955.db2.gz DPKXHMDKPFFMIQ-KFWWJZLASA-N -1 1 345.443 2.429 20 0 EEADMM O=S(=O)([N-]Cc1ccc(-c2cnco2)cc1)c1c[nH]nc1Cl ZINC001561993331 1342533231 /nfs/dbraw/zinc/53/32/31/1342533231.db2.gz CTGPSZQAJRCCHF-UHFFFAOYSA-N -1 1 338.776 2.197 20 0 EEADMM CCCCSCC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001577517914 1344157888 /nfs/dbraw/zinc/15/78/88/1344157888.db2.gz OYQCCNMJTNEAMH-UHFFFAOYSA-N -1 1 337.453 2.290 20 0 EEADMM CCCCSCC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001577517914 1344157893 /nfs/dbraw/zinc/15/78/93/1344157893.db2.gz OYQCCNMJTNEAMH-UHFFFAOYSA-N -1 1 337.453 2.290 20 0 EEADMM CN(C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001578837810 1344307735 /nfs/dbraw/zinc/30/77/35/1344307735.db2.gz ABROAILFXXZTCB-UHFFFAOYSA-N -1 1 338.302 2.351 20 0 EEADMM CN(C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001578837810 1344307738 /nfs/dbraw/zinc/30/77/38/1344307738.db2.gz ABROAILFXXZTCB-UHFFFAOYSA-N -1 1 338.302 2.351 20 0 EEADMM CN(C(=O)CSc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578879174 1344313105 /nfs/dbraw/zinc/31/31/05/1344313105.db2.gz IWMYWXVPWIRQKE-UHFFFAOYSA-N -1 1 326.385 2.017 20 0 EEADMM CN(C(=O)CSc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578879174 1344313108 /nfs/dbraw/zinc/31/31/08/1344313108.db2.gz IWMYWXVPWIRQKE-UHFFFAOYSA-N -1 1 326.385 2.017 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nnn[n-]2)c2ccccc21 ZINC001579374572 1344376082 /nfs/dbraw/zinc/37/60/82/1344376082.db2.gz DKAFZDPMOVGVRW-UHFFFAOYSA-N -1 1 326.385 2.025 20 0 EEADMM CN1CCN(C(=O)c2ccsc2-c2nn[n-]n2)c2ccccc21 ZINC001579374572 1344376083 /nfs/dbraw/zinc/37/60/83/1344376083.db2.gz DKAFZDPMOVGVRW-UHFFFAOYSA-N -1 1 326.385 2.025 20 0 EEADMM COc1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)cc1F ZINC001580014934 1344447867 /nfs/dbraw/zinc/44/78/67/1344447867.db2.gz UWZPMFYVMFQKFZ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM CSc1ccccc1N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580236510 1344496277 /nfs/dbraw/zinc/49/62/77/1344496277.db2.gz LFYGNSOVVZFRGL-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM CSc1ccccc1N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580236510 1344496283 /nfs/dbraw/zinc/49/62/83/1344496283.db2.gz LFYGNSOVVZFRGL-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM Cc1nsc(NC[C@@H](C)N(C)C(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581708572 1344656296 /nfs/dbraw/zinc/65/62/96/1344656296.db2.gz YFDBENUVFKIJNR-SECBINFHSA-N -1 1 349.464 2.081 20 0 EEADMM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccsc1-c1nnn[n-]1 ZINC001582327427 1344731927 /nfs/dbraw/zinc/73/19/27/1344731927.db2.gz DZSLORIFSCJYTC-NSHDSACASA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccsc1-c1nn[n-]n1 ZINC001582327427 1344731932 /nfs/dbraw/zinc/73/19/32/1344731932.db2.gz DZSLORIFSCJYTC-NSHDSACASA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccsc1-c1nnn[n-]1 ZINC001582343698 1344739592 /nfs/dbraw/zinc/73/95/92/1344739592.db2.gz BYCHNPOSOBKTHV-VIFPVBQESA-N -1 1 349.322 2.070 20 0 EEADMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1ccsc1-c1nn[n-]n1 ZINC001582343698 1344739595 /nfs/dbraw/zinc/73/95/95/1344739595.db2.gz BYCHNPOSOBKTHV-VIFPVBQESA-N -1 1 349.322 2.070 20 0 EEADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1(C)C ZINC001588889008 1348941962 /nfs/dbraw/zinc/94/19/62/1348941962.db2.gz KWVRTZDIENVVJT-NEPJUHHUSA-N -1 1 343.387 2.152 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC12CC=CC2 ZINC001589520220 1349000486 /nfs/dbraw/zinc/00/04/86/1349000486.db2.gz QHXJCHAHJLVWAT-AWEZNQCLSA-N -1 1 339.403 2.470 20 0 EEADMM CC(C)[C@@H]1N(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC12CC=CC2 ZINC001589520220 1349000489 /nfs/dbraw/zinc/00/04/89/1349000489.db2.gz QHXJCHAHJLVWAT-AWEZNQCLSA-N -1 1 339.403 2.470 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001589769119 1349034771 /nfs/dbraw/zinc/03/47/71/1349034771.db2.gz IUSICIKBRVDQKH-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM CC(C)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589769119 1349034774 /nfs/dbraw/zinc/03/47/74/1349034774.db2.gz IUSICIKBRVDQKH-UHFFFAOYSA-N -1 1 341.371 2.392 20 0 EEADMM C[C@@H](C1CC1)N(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589787041 1349042488 /nfs/dbraw/zinc/04/24/88/1349042488.db2.gz OSGSMGWDKGIKRJ-ZETCQYMHSA-N -1 1 340.309 2.151 20 0 EEADMM C[C@@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589794630 1349044746 /nfs/dbraw/zinc/04/47/46/1349044746.db2.gz PJOVQSYXBJTTSM-VIFPVBQESA-N -1 1 345.407 2.066 20 0 EEADMM C[C@@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589794630 1349044751 /nfs/dbraw/zinc/04/47/51/1349044751.db2.gz PJOVQSYXBJTTSM-VIFPVBQESA-N -1 1 345.407 2.066 20 0 EEADMM C[C@@H](CCNc1cccc(-c2nnn[n-]2)n1)N(C)C(=O)OC(C)(C)C ZINC001589828828 1349051745 /nfs/dbraw/zinc/05/17/45/1349051745.db2.gz AMMFOONDHWJHGK-NSHDSACASA-N -1 1 347.423 2.319 20 0 EEADMM C[C@@H](CCNc1cccc(-c2nn[n-]n2)n1)N(C)C(=O)OC(C)(C)C ZINC001589828828 1349051747 /nfs/dbraw/zinc/05/17/47/1349051747.db2.gz AMMFOONDHWJHGK-NSHDSACASA-N -1 1 347.423 2.319 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590015020 1349107768 /nfs/dbraw/zinc/10/77/68/1349107768.db2.gz CCJZCVXGLXRBLS-NSHDSACASA-N -1 1 330.392 2.328 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590015020 1349107772 /nfs/dbraw/zinc/10/77/72/1349107772.db2.gz CCJZCVXGLXRBLS-NSHDSACASA-N -1 1 330.392 2.328 20 0 EEADMM CC1(C)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]2CCO[C@H]21 ZINC001590075992 1349140067 /nfs/dbraw/zinc/14/00/67/1349140067.db2.gz AFRGIMQYRMGOJT-UIISKDMLSA-N -1 1 326.813 2.202 20 0 EEADMM C[C@@]1(F)CCCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590141866 1349172484 /nfs/dbraw/zinc/17/24/84/1349172484.db2.gz PSBXCSZCURCGOS-LLVKDONJSA-N -1 1 345.791 2.333 20 0 EEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)[C@H]1C ZINC001590249072 1349225652 /nfs/dbraw/zinc/22/56/52/1349225652.db2.gz APCRJZAZJNSGKP-KXUCPTDWSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1C ZINC001590267178 1349239289 /nfs/dbraw/zinc/23/92/89/1349239289.db2.gz LJZZSRAZJPCNMN-PHDIDXHHSA-N -1 1 327.801 2.239 20 0 EEADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274434 1349243923 /nfs/dbraw/zinc/24/39/23/1349243923.db2.gz KOJXKYXGNKKHOJ-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274434 1349243928 /nfs/dbraw/zinc/24/39/28/1349243928.db2.gz KOJXKYXGNKKHOJ-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCC1(F)F ZINC001590293909 1349250044 /nfs/dbraw/zinc/25/00/44/1349250044.db2.gz OSAPIMGCYGCVNT-VIFPVBQESA-N -1 1 346.341 2.465 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)Cc2ccccc2O1 ZINC001590311694 1349258715 /nfs/dbraw/zinc/25/87/15/1349258715.db2.gz FECMANRTIRNUAN-LLVKDONJSA-N -1 1 349.398 2.322 20 0 EEADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)Cc2ccccc2O1 ZINC001590311694 1349258720 /nfs/dbraw/zinc/25/87/20/1349258720.db2.gz FECMANRTIRNUAN-LLVKDONJSA-N -1 1 349.398 2.322 20 0 EEADMM CC[C@H](C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001590370784 1349287543 /nfs/dbraw/zinc/28/75/43/1349287543.db2.gz KHCBJMQXIAIOIU-LBPRGKRZSA-N -1 1 343.366 2.180 20 0 EEADMM CC[C@H](C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001590370784 1349287550 /nfs/dbraw/zinc/28/75/50/1349287550.db2.gz KHCBJMQXIAIOIU-LBPRGKRZSA-N -1 1 343.366 2.180 20 0 EEADMM CCC(C)(C)OC1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590376538 1349291545 /nfs/dbraw/zinc/29/15/45/1349291545.db2.gz HACFJNODEWYLHH-UHFFFAOYSA-N -1 1 333.367 2.035 20 0 EEADMM CCC(C)(C)OC1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590376538 1349291555 /nfs/dbraw/zinc/29/15/55/1349291555.db2.gz HACFJNODEWYLHH-UHFFFAOYSA-N -1 1 333.367 2.035 20 0 EEADMM CC[C@@H](CC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C(C)C ZINC001590423246 1349316963 /nfs/dbraw/zinc/31/69/63/1349316963.db2.gz NZDBAMUDXFIOST-NSHDSACASA-N -1 1 344.419 2.345 20 0 EEADMM CC[C@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1cccc(C)c1 ZINC001590445936 1349329207 /nfs/dbraw/zinc/32/92/07/1349329207.db2.gz LTNOOAQYVSHHLI-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1cccc(C)c1 ZINC001590445936 1349329210 /nfs/dbraw/zinc/32/92/10/1349329210.db2.gz LTNOOAQYVSHHLI-GFCCVEGCSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@H](CNc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590446158 1349329482 /nfs/dbraw/zinc/32/94/82/1349329482.db2.gz OVEUGVKKYBYYPF-GFCCVEGCSA-N -1 1 340.387 2.389 20 0 EEADMM CC[C@H](CNc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590446158 1349329489 /nfs/dbraw/zinc/32/94/89/1349329489.db2.gz OVEUGVKKYBYYPF-GFCCVEGCSA-N -1 1 340.387 2.389 20 0 EEADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590505797 1349359064 /nfs/dbraw/zinc/35/90/64/1349359064.db2.gz CGQUMVZHBWROBM-VHSXEESVSA-N -1 1 334.811 2.471 20 0 EEADMM CCCOC(=O)CCNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590639632 1349381705 /nfs/dbraw/zinc/38/17/05/1349381705.db2.gz GBQSXEZFUVBKIX-UHFFFAOYSA-N -1 1 344.297 2.036 20 0 EEADMM CCCOC(=O)CCNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590639632 1349381709 /nfs/dbraw/zinc/38/17/09/1349381709.db2.gz GBQSXEZFUVBKIX-UHFFFAOYSA-N -1 1 344.297 2.036 20 0 EEADMM CCO[C@@H](CCNC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001590784299 1349399381 /nfs/dbraw/zinc/39/93/81/1349399381.db2.gz RCPRNMAYZSXMRW-ZDUSSCGKSA-N -1 1 335.383 2.187 20 0 EEADMM CCO[C@@H](CCNC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001590784299 1349399385 /nfs/dbraw/zinc/39/93/85/1349399385.db2.gz RCPRNMAYZSXMRW-ZDUSSCGKSA-N -1 1 335.383 2.187 20 0 EEADMM CCc1nn(C[C@H](CC)CC(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929421 1349415860 /nfs/dbraw/zinc/41/58/60/1349415860.db2.gz PJLSKAUXNRJIMZ-SECBINFHSA-N -1 1 340.378 2.230 20 0 EEADMM COC(=O)c1cccc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001591300940 1349457109 /nfs/dbraw/zinc/45/71/09/1349457109.db2.gz UAAHYXRCLOKUOE-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COC(=O)c1cccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001591300940 1349457110 /nfs/dbraw/zinc/45/71/10/1349457110.db2.gz UAAHYXRCLOKUOE-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM CO[C@@H]1CCC[C@H](C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001591355232 1349470381 /nfs/dbraw/zinc/47/03/81/1349470381.db2.gz NGAGMZFPUCDYNT-NKWVEPMBSA-N -1 1 342.812 2.120 20 0 EEADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001591383105 1349477235 /nfs/dbraw/zinc/47/72/35/1349477235.db2.gz UXXABRHLZGEKLY-CQSZACIVSA-N -1 1 337.387 2.334 20 0 EEADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001591383105 1349477240 /nfs/dbraw/zinc/47/72/40/1349477240.db2.gz UXXABRHLZGEKLY-CQSZACIVSA-N -1 1 337.387 2.334 20 0 EEADMM COCC[C@H](Nc1cc(C)nc(-c2nnn[n-]2)c1)c1ccc(C)o1 ZINC001591400180 1349481545 /nfs/dbraw/zinc/48/15/45/1349481545.db2.gz OVDJBHPBBHCQKC-ZDUSSCGKSA-N -1 1 328.376 2.083 20 0 EEADMM COCC[C@H](Nc1cc(C)nc(-c2nn[n-]n2)c1)c1ccc(C)o1 ZINC001591400180 1349481550 /nfs/dbraw/zinc/48/15/50/1349481550.db2.gz OVDJBHPBBHCQKC-ZDUSSCGKSA-N -1 1 328.376 2.083 20 0 EEADMM COCCn1nc(C)c(NCc2csc(-c3nn[n-]n3)c2)c1C ZINC001591451297 1349486446 /nfs/dbraw/zinc/48/64/46/1349486446.db2.gz JIHYIWOGKBPGNA-UHFFFAOYSA-N -1 1 333.421 2.000 20 0 EEADMM COc1ccc(Cl)cc1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591604759 1349513280 /nfs/dbraw/zinc/51/32/80/1349513280.db2.gz DZARPPOMFWNVQH-UHFFFAOYSA-N -1 1 334.719 2.479 20 0 EEADMM C[S@@](=O)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC001591684547 1349529009 /nfs/dbraw/zinc/52/90/09/1349529009.db2.gz ZDLVQMQFNSTGNL-JOCHJYFZSA-N -1 1 333.442 2.419 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC001591716767 1349535215 /nfs/dbraw/zinc/53/52/15/1349535215.db2.gz AUONOWWPASXFEG-QMMMGPOBSA-N -1 1 344.444 2.389 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592227988 1349611581 /nfs/dbraw/zinc/61/15/81/1349611581.db2.gz LPTOGLJXXFRNIV-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM Cc1cccc(C)c1NCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592227988 1349611585 /nfs/dbraw/zinc/61/15/85/1349611585.db2.gz LPTOGLJXXFRNIV-UHFFFAOYSA-N -1 1 344.400 2.095 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)c1Cl ZINC001592235197 1349613246 /nfs/dbraw/zinc/61/32/46/1349613246.db2.gz HEKKVQNEUWVYQQ-UHFFFAOYSA-N -1 1 339.764 2.222 20 0 EEADMM Cc1nc(C)c(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)o1 ZINC001592357501 1349624812 /nfs/dbraw/zinc/62/48/12/1349624812.db2.gz NWQVUZDPAPRGMW-UHFFFAOYSA-N -1 1 339.281 2.497 20 0 EEADMM Cc1nc(C)c(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)o1 ZINC001592357501 1349624815 /nfs/dbraw/zinc/62/48/15/1349624815.db2.gz NWQVUZDPAPRGMW-UHFFFAOYSA-N -1 1 339.281 2.497 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc(C3CCC3)c2)c1-c1nnn[n-]1 ZINC001592433182 1349631860 /nfs/dbraw/zinc/63/18/60/1349631860.db2.gz VJPIIRJCOPHBRI-UHFFFAOYSA-N -1 1 337.387 2.428 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cccc(C3CCC3)c2)c1-c1nn[n-]n1 ZINC001592433182 1349631862 /nfs/dbraw/zinc/63/18/62/1349631862.db2.gz VJPIIRJCOPHBRI-UHFFFAOYSA-N -1 1 337.387 2.428 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592478330 1349635743 /nfs/dbraw/zinc/63/57/43/1349635743.db2.gz BJZVFJCTNVYWOH-WAYWQWQTSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592478330 1349635747 /nfs/dbraw/zinc/63/57/47/1349635747.db2.gz BJZVFJCTNVYWOH-WAYWQWQTSA-N -1 1 330.348 2.423 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(CC(C)C)CC(F)(F)F ZINC001592494874 1349637087 /nfs/dbraw/zinc/63/70/87/1349637087.db2.gz FVRGKEHSIVAMKV-UHFFFAOYSA-N -1 1 331.298 2.429 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(CC(C)C)CC(F)(F)F ZINC001592494874 1349637088 /nfs/dbraw/zinc/63/70/88/1349637088.db2.gz FVRGKEHSIVAMKV-UHFFFAOYSA-N -1 1 331.298 2.429 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001592501160 1349638029 /nfs/dbraw/zinc/63/80/29/1349638029.db2.gz DIMGEEXVXZMEJG-LLVKDONJSA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001592501160 1349638030 /nfs/dbraw/zinc/63/80/30/1349638030.db2.gz DIMGEEXVXZMEJG-LLVKDONJSA-N -1 1 345.746 2.285 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001592501126 1349638081 /nfs/dbraw/zinc/63/80/81/1349638081.db2.gz PXIDQBKPADNFBF-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-c2ccccc2)nn1 ZINC001592501126 1349638082 /nfs/dbraw/zinc/63/80/82/1349638082.db2.gz PXIDQBKPADNFBF-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2CC2CCCC2)c1-c1nnn[n-]1 ZINC001592515401 1349644381 /nfs/dbraw/zinc/64/43/81/1349644381.db2.gz FCPUOFZTNZPQEB-ZDUSSCGKSA-N -1 1 344.419 2.277 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@H]2CC2CCCC2)c1-c1nn[n-]n1 ZINC001592515401 1349644383 /nfs/dbraw/zinc/64/43/83/1349644383.db2.gz FCPUOFZTNZPQEB-ZDUSSCGKSA-N -1 1 344.419 2.277 20 0 EEADMM Clc1ccc(CC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)cc1 ZINC001592528515 1349649199 /nfs/dbraw/zinc/64/91/99/1349649199.db2.gz WNODIOQFNZRGOC-UHFFFAOYSA-N -1 1 341.806 2.309 20 0 EEADMM Clc1ccc2[nH]c(Sc3cc(-c4nn[n-]n4)ncn3)nc2c1 ZINC001592532773 1349649456 /nfs/dbraw/zinc/64/94/56/1349649456.db2.gz COWIIRPJPRQVRM-UHFFFAOYSA-N -1 1 330.764 2.338 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2CC2CCCC2)n1 ZINC001592559599 1349657838 /nfs/dbraw/zinc/65/78/38/1349657838.db2.gz ZRZAONCAGDFIHI-GFCCVEGCSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2CC2CCCC2)n1 ZINC001592559599 1349657841 /nfs/dbraw/zinc/65/78/41/1349657841.db2.gz ZRZAONCAGDFIHI-GFCCVEGCSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC001592565894 1349658860 /nfs/dbraw/zinc/65/88/60/1349658860.db2.gz LPIKOMZJDDHWQN-UHFFFAOYSA-N -1 1 338.396 2.350 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1nccnc1-c1nnn[n-]1 ZINC001592621848 1349675788 /nfs/dbraw/zinc/67/57/88/1349675788.db2.gz AWCXYQPUQZFPDF-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1nccnc1-c1nn[n-]n1 ZINC001592621848 1349675795 /nfs/dbraw/zinc/67/57/95/1349675795.db2.gz AWCXYQPUQZFPDF-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM FC1(F)[C@H](CNc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001592630781 1349681726 /nfs/dbraw/zinc/68/17/26/1349681726.db2.gz MOPRVWRGAYFWBL-TZMCWYRMSA-N -1 1 328.326 2.144 20 0 EEADMM FC1(F)[C@H](CNc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001592630781 1349681731 /nfs/dbraw/zinc/68/17/31/1349681731.db2.gz MOPRVWRGAYFWBL-TZMCWYRMSA-N -1 1 328.326 2.144 20 0 EEADMM FC1(F)[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC001592630777 1349682338 /nfs/dbraw/zinc/68/23/38/1349682338.db2.gz MOPRVWRGAYFWBL-JSGCOSHPSA-N -1 1 328.326 2.144 20 0 EEADMM FC1(F)[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC001592630777 1349682341 /nfs/dbraw/zinc/68/23/41/1349682341.db2.gz MOPRVWRGAYFWBL-JSGCOSHPSA-N -1 1 328.326 2.144 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592642785 1349689945 /nfs/dbraw/zinc/68/99/45/1349689945.db2.gz DLMRYVZSAUQPID-MRVPVSSYSA-N -1 1 333.277 2.173 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592642785 1349689946 /nfs/dbraw/zinc/68/99/46/1349689946.db2.gz DLMRYVZSAUQPID-MRVPVSSYSA-N -1 1 333.277 2.173 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)ccc1Cl ZINC001592644337 1349690852 /nfs/dbraw/zinc/69/08/52/1349690852.db2.gz WYSSWAGFKGIABX-GZMMTYOYSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)ccc1Cl ZINC001592644337 1349690862 /nfs/dbraw/zinc/69/08/62/1349690862.db2.gz WYSSWAGFKGIABX-GZMMTYOYSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1F ZINC001592647196 1349692157 /nfs/dbraw/zinc/69/21/57/1349692157.db2.gz OTBRVLZOZXMKLP-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1F ZINC001592647196 1349692159 /nfs/dbraw/zinc/69/21/59/1349692159.db2.gz OTBRVLZOZXMKLP-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc(OC[C@@H]2CCCC23CCOCC3)c(-c2nnn[n-]2)n1 ZINC001592651922 1349696651 /nfs/dbraw/zinc/69/66/51/1349696651.db2.gz GEWABHPHFFHPDL-NSHDSACASA-N -1 1 333.367 2.377 20 0 EEADMM Fc1ccc(OC[C@@H]2CCCC23CCOCC3)c(-c2nn[n-]n2)n1 ZINC001592651922 1349696655 /nfs/dbraw/zinc/69/66/55/1349696655.db2.gz GEWABHPHFFHPDL-NSHDSACASA-N -1 1 333.367 2.377 20 0 EEADMM O=C(CCCOc1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592837395 1349718476 /nfs/dbraw/zinc/71/84/76/1349718476.db2.gz CQPPPLDCFUYORC-UHFFFAOYSA-N -1 1 343.412 2.404 20 0 EEADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1csc(-c2nn[n-]n2)c1 ZINC001592996286 1349732904 /nfs/dbraw/zinc/73/29/04/1349732904.db2.gz HYNBUIPTKPSKEY-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(Nc1cc2c(cc1Cl)CCC2=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593212862 1349747507 /nfs/dbraw/zinc/74/75/07/1349747507.db2.gz SGGFQEWBMXTXBT-UHFFFAOYSA-N -1 1 343.730 2.494 20 0 EEADMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593269748 1349757581 /nfs/dbraw/zinc/75/75/81/1349757581.db2.gz QEWNMSXEMMHAGT-UHFFFAOYSA-N -1 1 346.397 2.156 20 0 EEADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1sccc1-c1nn[n-]n1 ZINC001593285539 1349762739 /nfs/dbraw/zinc/76/27/39/1349762739.db2.gz VTBRPFKKGNGGNJ-SNVBAGLBSA-N -1 1 334.401 2.434 20 0 EEADMM O=C(OC[C@@H]1CCOc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593287346 1349764803 /nfs/dbraw/zinc/76/48/03/1349764803.db2.gz VTMWFKBKGWUJEN-JTQLQIEISA-N -1 1 326.312 2.183 20 0 EEADMM O=C(OC[C@@H]1CCOc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593287346 1349764813 /nfs/dbraw/zinc/76/48/13/1349764813.db2.gz VTMWFKBKGWUJEN-JTQLQIEISA-N -1 1 326.312 2.183 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@H]1CCCCC1(F)F)CCC2 ZINC001593490397 1349817105 /nfs/dbraw/zinc/81/71/05/1349817105.db2.gz GSAZTORGEQKYPB-LLVKDONJSA-N -1 1 335.358 2.343 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(Cl)cn1)CCCC2 ZINC001593490127 1349817734 /nfs/dbraw/zinc/81/77/34/1349817734.db2.gz BNRSFBATCWBWPX-UHFFFAOYSA-N -1 1 342.790 2.004 20 0 EEADMM O[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1c1ccnc(-c2nnn[n-]2)c1 ZINC001593519367 1349829926 /nfs/dbraw/zinc/82/99/26/1349829926.db2.gz LVANOXTXLIJPQV-CWRNSKLLSA-N -1 1 328.420 2.172 20 0 EEADMM O[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)c1 ZINC001593519367 1349829932 /nfs/dbraw/zinc/82/99/32/1349829932.db2.gz LVANOXTXLIJPQV-CWRNSKLLSA-N -1 1 328.420 2.172 20 0 EEADMM c1ccc(COc2cccc(Nc3cnc(-c4nnn[n-]4)cn3)c2)nc1 ZINC001593574868 1349858337 /nfs/dbraw/zinc/85/83/37/1349858337.db2.gz LTTYNUJUEKGBDF-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc(COc2cccc(Nc3cnc(-c4nn[n-]n4)cn3)c2)nc1 ZINC001593574868 1349858342 /nfs/dbraw/zinc/85/83/42/1349858342.db2.gz LTTYNUJUEKGBDF-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1nn2c(c1Nc1c3ccccc3nnc1-c1nnn[n-]1)CCCC2 ZINC001593580042 1349861107 /nfs/dbraw/zinc/86/11/07/1349861107.db2.gz KYUPODOHXNGVKG-UHFFFAOYSA-N -1 1 333.359 2.086 20 0 EEADMM c1nn2c(c1Nc1c3ccccc3nnc1-c1nn[n-]n1)CCCC2 ZINC001593580042 1349861113 /nfs/dbraw/zinc/86/11/13/1349861113.db2.gz KYUPODOHXNGVKG-UHFFFAOYSA-N -1 1 333.359 2.086 20 0 EEADMM c1c2ccccc2n2c1CN(c1cnc(-c3nnn[n-]3)cn1)CCC2 ZINC001593580369 1349861845 /nfs/dbraw/zinc/86/18/45/1349861845.db2.gz VWYIEWYXORTZDF-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1c2ccccc2n2c1CN(c1cnc(-c3nn[n-]n3)cn1)CCC2 ZINC001593580369 1349861849 /nfs/dbraw/zinc/86/18/49/1349861849.db2.gz VWYIEWYXORTZDF-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM Cc1c(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cccc1C(=O)[O-] ZINC001600045644 1349961347 /nfs/dbraw/zinc/96/13/47/1349961347.db2.gz QMNUJDHOHIWMSQ-NSHDSACASA-N -1 1 346.305 2.335 20 0 EEADMM Cc1cc(C(=O)C[S@@](=O)Cc2ccccc2C(=O)[O-])c(C)n1C ZINC001600076907 1349966679 /nfs/dbraw/zinc/96/66/79/1349966679.db2.gz HDXYVFSMWRUFBN-QHCPKHFHSA-N -1 1 333.409 2.472 20 0 EEADMM Cc1cc(C)c(NC(=O)CN[C@@]2(CC(=O)[O-])CCOC2)c(Cl)c1 ZINC001600162154 1349983476 /nfs/dbraw/zinc/98/34/76/1349983476.db2.gz NPGKYPPGGHTYCU-MRXNPFEDSA-N -1 1 340.807 2.119 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)[nH]1 ZINC001600172156 1349985194 /nfs/dbraw/zinc/98/51/94/1349985194.db2.gz MZLSXALQPKGZRE-AWEZNQCLSA-N -1 1 348.428 2.154 20 0 EEADMM Cc1cc(CN[C@@H]2c3sccc3OC(C)(C)[C@H]2O)[nH]c1C(=O)[O-] ZINC001600212150 1349994500 /nfs/dbraw/zinc/99/45/00/1349994500.db2.gz HAVDOWZZICIABN-OCCSQVGLSA-N -1 1 336.413 2.446 20 0 EEADMM Cc1cc2oc(=O)cc(CN3CCSC[C@H]3C(=O)[O-])c2cc1C ZINC001600311788 1350017896 /nfs/dbraw/zinc/01/78/96/1350017896.db2.gz UXXSTSBBVBBYQH-AWEZNQCLSA-N -1 1 333.409 2.412 20 0 EEADMM Cc1ccc(-c2nnc(CN3CCSC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001600320862 1350020106 /nfs/dbraw/zinc/02/01/06/1350020106.db2.gz XFNKMEDSUYUNKF-ZDUSSCGKSA-N -1 1 333.413 2.295 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001600359132 1350029471 /nfs/dbraw/zinc/02/94/71/1350029471.db2.gz UJSCHXRIYKNRPK-HIFRSBDPSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC001600360056 1350029490 /nfs/dbraw/zinc/02/94/90/1350029490.db2.gz HZKSSCQVIQTWNA-NSHDSACASA-N -1 1 346.305 2.335 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)[nH]c2c1 ZINC001600488639 1350063941 /nfs/dbraw/zinc/06/39/41/1350063941.db2.gz BGGUDCVNZSPSRA-KDOFPFPSSA-N -1 1 342.399 2.410 20 0 EEADMM Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001600521202 1350072007 /nfs/dbraw/zinc/07/20/07/1350072007.db2.gz AMXROPSKFQMWCP-ZNMIVQPWSA-N -1 1 334.416 2.242 20 0 EEADMM Cc1ccnc2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cc12 ZINC001600601069 1350094984 /nfs/dbraw/zinc/09/49/84/1350094984.db2.gz CUOUVMMNPAZDHT-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cc[nH]c2nc(Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)nc1-2 ZINC001600602654 1350095411 /nfs/dbraw/zinc/09/54/11/1350095411.db2.gz VOCIMIDAJFZSJB-UHFFFAOYSA-N -1 1 335.323 2.204 20 0 EEADMM Cc1nc2ccccn2c1CNCc1ccccc1OCC(=O)[O-] ZINC001600730399 1350123271 /nfs/dbraw/zinc/12/32/71/1350123271.db2.gz QBBSMRQCZCCWKA-UHFFFAOYSA-N -1 1 325.368 2.396 20 0 EEADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001600982977 1350182093 /nfs/dbraw/zinc/18/20/93/1350182093.db2.gz OKAQQWHZPJUISC-GDBMZVCRSA-N -1 1 347.390 2.203 20 0 EEADMM NC(=O)[C@@H](c1ccc(F)cc1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001601139272 1350219266 /nfs/dbraw/zinc/21/92/66/1350219266.db2.gz IUJZKKQSWGTVNH-VQIMIIECSA-N -1 1 342.370 2.080 20 0 EEADMM NC(=O)[C@@H](c1ccc(F)cc1)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601140529 1350219336 /nfs/dbraw/zinc/21/93/36/1350219336.db2.gz XGEYHXPJNQOLQL-BRWVUGGUSA-N -1 1 342.370 2.152 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](C3CCOCC3)C2)c1 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CCS[C@H](C)c1noc(CN(C)c2cccnc2-c2nn[n-]n2)n1 ZINC001604478939 1350946573 /nfs/dbraw/zinc/94/65/73/1350946573.db2.gz PGERWKAZHVUUHC-SECBINFHSA-N -1 1 346.420 2.095 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC001604544949 1350958299 /nfs/dbraw/zinc/95/82/99/1350958299.db2.gz XZGROCWSIMVKPN-CQSZACIVSA-N -1 1 335.415 2.288 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](Cc3ccccc3)C2)n1 ZINC001604544949 1350958301 /nfs/dbraw/zinc/95/83/01/1350958301.db2.gz XZGROCWSIMVKPN-CQSZACIVSA-N -1 1 335.415 2.288 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001604579007 1350963770 /nfs/dbraw/zinc/96/37/70/1350963770.db2.gz RSSCQQQZYXRYNQ-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001604579007 1350963772 /nfs/dbraw/zinc/96/37/72/1350963772.db2.gz RSSCQQQZYXRYNQ-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CN(C(=O)c1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001604659937 1350979696 /nfs/dbraw/zinc/97/96/96/1350979696.db2.gz PUWVRFSQNGCNOJ-UHFFFAOYSA-N -1 1 330.298 2.476 20 0 EEADMM CN(C(=O)c1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001604659937 1350979699 /nfs/dbraw/zinc/97/96/99/1350979699.db2.gz PUWVRFSQNGCNOJ-UHFFFAOYSA-N -1 1 330.298 2.476 20 0 EEADMM CN(C)c1c(Cl)cccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604695002 1350986146 /nfs/dbraw/zinc/98/61/46/1350986146.db2.gz POIWDJOZBQMVMV-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1c(Cl)cccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604695002 1350986150 /nfs/dbraw/zinc/98/61/50/1350986150.db2.gz POIWDJOZBQMVMV-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC001604703893 1350988268 /nfs/dbraw/zinc/98/82/68/1350988268.db2.gz DLJKKLREDJQJPW-UHFFFAOYSA-N -1 1 332.751 2.431 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)NCc3ccc(Cl)c(C(=O)[O-])n3)c2C1 ZINC001604763384 1350998779 /nfs/dbraw/zinc/99/87/79/1350998779.db2.gz OUYCIJGWMHNACE-QMMMGPOBSA-N -1 1 348.790 2.211 20 0 EEADMM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Br)CCN1C ZINC001604787180 1351003612 /nfs/dbraw/zinc/00/36/12/1351003612.db2.gz XHKNFTVUMTVRBO-ZWNOBZJWSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001604790944 1351004108 /nfs/dbraw/zinc/00/41/08/1351004108.db2.gz PFUIUBWBDIAOKH-BLLLJJGKSA-N -1 1 349.406 2.003 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(F)cc1 ZINC001604869770 1351023075 /nfs/dbraw/zinc/02/30/75/1351023075.db2.gz QKCGTGDEMBHUPD-CZUORRHYSA-N -1 1 336.407 2.327 20 0 EEADMM CO[C@@H]1CC[C@@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001605029894 1351061579 /nfs/dbraw/zinc/06/15/79/1351061579.db2.gz OYKQMJCTSMQMIP-RKDXNWHRSA-N -1 1 339.197 2.004 20 0 EEADMM CO[C@@H]1CC[C@@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001605029894 1351061581 /nfs/dbraw/zinc/06/15/81/1351061581.db2.gz OYKQMJCTSMQMIP-RKDXNWHRSA-N -1 1 339.197 2.004 20 0 EEADMM CC[C@H](CNC(=O)c1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001605035833 1351064260 /nfs/dbraw/zinc/06/42/60/1351064260.db2.gz UAYMOHUEJRUJAN-ZCFIWIBFSA-N -1 1 334.141 2.134 20 0 EEADMM COCc1cc(CNc2cc(C)cc(-c3nnn[n-]3)n2)ccc1F ZINC001605132520 1351084426 /nfs/dbraw/zinc/08/44/26/1351084426.db2.gz DJBKZAYMKCWTTD-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COCc1cc(CNc2cc(C)cc(-c3nn[n-]n3)n2)ccc1F ZINC001605132520 1351084428 /nfs/dbraw/zinc/08/44/28/1351084428.db2.gz DJBKZAYMKCWTTD-UHFFFAOYSA-N -1 1 328.351 2.468 20 0 EEADMM COCc1csc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)c1 ZINC001605136218 1351086002 /nfs/dbraw/zinc/08/60/02/1351086002.db2.gz NFBCIHLZOWXKSZ-YWEYNIOJSA-N -1 1 344.400 2.439 20 0 EEADMM COc1cc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)ccc1C ZINC001605189326 1351099432 /nfs/dbraw/zinc/09/94/32/1351099432.db2.gz CWKMCFXBDGTIBU-UHFFFAOYSA-N -1 1 335.327 2.296 20 0 EEADMM COc1cc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)ccc1C ZINC001605189326 1351099436 /nfs/dbraw/zinc/09/94/36/1351099436.db2.gz CWKMCFXBDGTIBU-UHFFFAOYSA-N -1 1 335.327 2.296 20 0 EEADMM COc1cccc([C@H]2C[C@@H](C)CN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605319148 1351135599 /nfs/dbraw/zinc/13/55/99/1351135599.db2.gz DESBLLQNHOMKNU-BXUZGUMPSA-N -1 1 337.387 2.253 20 0 EEADMM CSc1cccc(NC(=O)COc2cccnc2-c2nnn[n-]2)c1 ZINC001605389274 1351151783 /nfs/dbraw/zinc/15/17/83/1351151783.db2.gz NKEJWTBWTCUDJW-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM CSc1cccc(NC(=O)COc2cccnc2-c2nn[n-]n2)c1 ZINC001605389274 1351151784 /nfs/dbraw/zinc/15/17/84/1351151784.db2.gz NKEJWTBWTCUDJW-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)NCc2ccnc(C(=O)[O-])c2)o1 ZINC001605433730 1351157565 /nfs/dbraw/zinc/15/75/65/1351157565.db2.gz RQDDVUFYCZPJTL-UHFFFAOYSA-N -1 1 331.372 2.145 20 0 EEADMM CCN(Cc1cccc(F)c1)C(=O)CN1CCC(CC(=O)[O-])CC1 ZINC001605457668 1351162717 /nfs/dbraw/zinc/16/27/17/1351162717.db2.gz AGGNECLBYGTLKQ-UHFFFAOYSA-N -1 1 336.407 2.361 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cc(Cl)n1 ZINC001605624998 1351204010 /nfs/dbraw/zinc/20/40/10/1351204010.db2.gz PAJXTGZZJLTEKQ-UHFFFAOYSA-N -1 1 344.766 2.076 20 0 EEADMM Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)cc(-c2nnn[n-]2)n1 ZINC001605691375 1351215848 /nfs/dbraw/zinc/21/58/48/1351215848.db2.gz AMULPSOIWDJLCR-UHFFFAOYSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)cc(-c2nn[n-]n2)n1 ZINC001605691375 1351215849 /nfs/dbraw/zinc/21/58/49/1351215849.db2.gz AMULPSOIWDJLCR-UHFFFAOYSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605878544 1351244547 /nfs/dbraw/zinc/24/45/47/1351244547.db2.gz LBWKDRHQIZFCPD-LLVKDONJSA-N -1 1 328.328 2.279 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605878544 1351244550 /nfs/dbraw/zinc/24/45/50/1351244550.db2.gz LBWKDRHQIZFCPD-LLVKDONJSA-N -1 1 328.328 2.279 20 0 EEADMM CCc1oc(CNCc2cccc(-n3cncn3)c2)cc1C(=O)[O-] ZINC001605890356 1351248320 /nfs/dbraw/zinc/24/83/20/1351248320.db2.gz FIYWGWBGBFGVBZ-UHFFFAOYSA-N -1 1 326.356 2.411 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2CC2CCC2)nc1-c1nnn[n-]1 ZINC001606191129 1351283823 /nfs/dbraw/zinc/28/38/23/1351283823.db2.gz HJCZRJHRARTPOD-LLVKDONJSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2CC2CCC2)nc1-c1nn[n-]n1 ZINC001606191129 1351283827 /nfs/dbraw/zinc/28/38/27/1351283827.db2.gz HJCZRJHRARTPOD-LLVKDONJSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1nc(NCc2nnc(C3CC3)s2)sc1-c1nnn[n-]1 ZINC001606200107 1351284402 /nfs/dbraw/zinc/28/44/02/1351284402.db2.gz WZHQSOMUFQZMNJ-UHFFFAOYSA-N -1 1 340.825 2.318 20 0 EEADMM Clc1nc(NCc2nnc(C3CC3)s2)sc1-c1nn[n-]n1 ZINC001606200107 1351284405 /nfs/dbraw/zinc/28/44/05/1351284405.db2.gz WZHQSOMUFQZMNJ-UHFFFAOYSA-N -1 1 340.825 2.318 20 0 EEADMM Clc1sc(N2CCOC[C@H]2c2ccco2)nc1-c1nn[n-]n1 ZINC001606200784 1351284809 /nfs/dbraw/zinc/28/48/09/1351284809.db2.gz FYRWJZAGPJCRAW-ZETCQYMHSA-N -1 1 338.780 2.148 20 0 EEADMM Clc1nc(NC[C@H]2COC3(CCCC3)O2)sc1-c1nnn[n-]1 ZINC001606200106 1351284755 /nfs/dbraw/zinc/28/47/55/1351284755.db2.gz WYGRTZBSULVBJD-ZETCQYMHSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nc(NC[C@H]2COC3(CCCC3)O2)sc1-c1nn[n-]n1 ZINC001606200106 1351284757 /nfs/dbraw/zinc/28/47/57/1351284757.db2.gz WYGRTZBSULVBJD-ZETCQYMHSA-N -1 1 342.812 2.074 20 0 EEADMM COC(=O)C1=CC[C@@H](NCc2oc(Br)cc2C(=O)[O-])C1 ZINC001606359305 1351297067 /nfs/dbraw/zinc/29/70/67/1351297067.db2.gz POSDGVZSGNFNJE-MRVPVSSYSA-N -1 1 344.161 2.092 20 0 EEADMM COC(=O)c1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc(C(=O)[O-])c1 ZINC001606541927 1351319332 /nfs/dbraw/zinc/31/93/32/1351319332.db2.gz PGEXFFDQTUTTEG-ZDUSSCGKSA-N -1 1 343.383 2.274 20 0 EEADMM O=C(NCCC[C@@H]1CCCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606764967 1351353825 /nfs/dbraw/zinc/35/38/25/1351353825.db2.gz XGZVAZIDYNTYQL-NSHDSACASA-N -1 1 333.367 2.085 20 0 EEADMM O=C(NCCC[C@@H]1CCCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606764967 1351353828 /nfs/dbraw/zinc/35/38/28/1351353828.db2.gz XGZVAZIDYNTYQL-NSHDSACASA-N -1 1 333.367 2.085 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001606779830 1351356130 /nfs/dbraw/zinc/35/61/30/1351356130.db2.gz MSCDQFWLEFVSSU-UHFFFAOYSA-N -1 1 341.433 2.021 20 0 EEADMM O=C(Nc1cc(F)ccc1NC1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606902088 1351371990 /nfs/dbraw/zinc/37/19/90/1351371990.db2.gz CIOZCIFJZPDIAQ-UHFFFAOYSA-N -1 1 328.307 2.425 20 0 EEADMM O=C(Nc1cncc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606946229 1351382068 /nfs/dbraw/zinc/38/20/68/1351382068.db2.gz NPDBEINQWSASFJ-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1cncc2c1CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606946229 1351382071 /nfs/dbraw/zinc/38/20/71/1351382071.db2.gz NPDBEINQWSASFJ-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(O[C@@H]1CCc2cccnc21)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606963632 1351385874 /nfs/dbraw/zinc/38/58/74/1351385874.db2.gz FDROZUNWAVEBSA-LLVKDONJSA-N -1 1 342.746 2.154 20 0 EEADMM O=C1[C@@H](Sc2cccnc2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC001607036817 1351402839 /nfs/dbraw/zinc/40/28/39/1351402839.db2.gz AXGCUSQQPCLQCE-ZDUSSCGKSA-N -1 1 344.444 2.287 20 0 EEADMM O=C1[C@@H](Sc2cccnc2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC001607036817 1351402842 /nfs/dbraw/zinc/40/28/42/1351402842.db2.gz AXGCUSQQPCLQCE-ZDUSSCGKSA-N -1 1 344.444 2.287 20 0 EEADMM O=C1CCN1c1cccc(Nc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001607045526 1351403875 /nfs/dbraw/zinc/40/38/75/1351403875.db2.gz DMUMKMDDWFEILM-UHFFFAOYSA-N -1 1 347.791 2.457 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1CCOc1ccc2ccccc2c1 ZINC001607090712 1351413860 /nfs/dbraw/zinc/41/38/60/1351413860.db2.gz WDOHNGSRYDSSSZ-UHFFFAOYSA-N -1 1 333.351 2.261 20 0 EEADMM Oc1cccc2c1CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC001607111851 1351423151 /nfs/dbraw/zinc/42/31/51/1351423151.db2.gz LULSKLSRRNDJRP-UHFFFAOYSA-N -1 1 345.366 2.078 20 0 EEADMM Oc1cccc2c1CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC001607111851 1351423153 /nfs/dbraw/zinc/42/31/53/1351423153.db2.gz LULSKLSRRNDJRP-UHFFFAOYSA-N -1 1 345.366 2.078 20 0 EEADMM COc1cc(CN[C@H]2COC[C@H]2C)c(Br)cc1C(=O)[O-] ZINC001607164298 1351441227 /nfs/dbraw/zinc/44/12/27/1351441227.db2.gz UMAIOMMQUIFPKH-PELKAZGASA-N -1 1 344.205 2.280 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCCC[C@@H]1CN1CCCC1=O ZINC001607215847 1351450687 /nfs/dbraw/zinc/45/06/87/1351450687.db2.gz LPXSPFBAFSATMP-MRXNPFEDSA-N -1 1 346.427 2.370 20 0 EEADMM COc1cccc([C@@H]2CC(=O)N(CN3CCC[C@@](C)(C(=O)[O-])C3)C2)c1 ZINC001607318893 1351472558 /nfs/dbraw/zinc/47/25/58/1351472558.db2.gz IHISMGVFIPOPTI-DNVCBOLYSA-N -1 1 346.427 2.155 20 0 EEADMM COc1nsc(CN[C@H](CC(F)F)C(=O)[O-])c1Br ZINC001607364056 1351482893 /nfs/dbraw/zinc/48/28/93/1351482893.db2.gz LFDXLUGMGTZBRX-SCSAIBSYSA-N -1 1 345.165 2.112 20 0 EEADMM C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001607470134 1351498842 /nfs/dbraw/zinc/49/88/42/1351498842.db2.gz LCBMCVIJPZZXQU-DEYYWGMASA-N -1 1 349.431 2.169 20 0 EEADMM C[C@H]1CN([C@@H]2CCN(c3ccccc3Cl)C2=O)C[C@]1(C)C(=O)[O-] ZINC001607474854 1351499879 /nfs/dbraw/zinc/49/98/79/1351499879.db2.gz UEIUKQJMONJNAR-KHIZAZIESA-N -1 1 336.819 2.488 20 0 EEADMM Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001607766752 1351554493 /nfs/dbraw/zinc/55/44/93/1351554493.db2.gz FYZOSBQQWFZTJC-HFTRVMKXSA-N -1 1 332.444 2.398 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@@H]3CCC[C@@H](CO)C3)c12 ZINC001607965512 1351594437 /nfs/dbraw/zinc/59/44/37/1351594437.db2.gz NUWHTZGIRRMMHL-GHMZBOCLSA-N -1 1 335.429 2.391 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001608412063 1351689098 /nfs/dbraw/zinc/68/90/98/1351689098.db2.gz ZPHPOEABJKZMEZ-SJORKVTESA-N -1 1 339.395 2.102 20 0 EEADMM O=C([N-]NC(=O)c1[nH]nc2c1CCCC2)c1c(F)cccc1Cl ZINC000042061157 1352519824 /nfs/dbraw/zinc/51/98/24/1352519824.db2.gz DNAPOHYJNQIBOU-UHFFFAOYSA-N -1 1 336.754 2.156 20 0 EEADMM O=C(c1cccc([O-])c1F)N1CCn2c(nnc2-c2ccccc2)C1 ZINC001628704207 1352540730 /nfs/dbraw/zinc/54/07/30/1352540730.db2.gz QTNCVXXSBNKSKO-UHFFFAOYSA-N -1 1 338.342 2.446 20 0 EEADMM CSc1nc(CNC(=O)c2cncc3ccccc32)cc(=O)[n-]1 ZINC001643835747 1352753524 /nfs/dbraw/zinc/75/35/24/1352753524.db2.gz MAKZZUHLUFWJTL-UHFFFAOYSA-N -1 1 326.381 2.382 20 0 EEADMM Cc1nc(-c2cccc(C(=O)NCc3nc([O-])cc(=O)[nH]3)c2)cs1 ZINC001647867719 1353405777 /nfs/dbraw/zinc/40/57/77/1353405777.db2.gz AYBNRWSQXWDBTN-UHFFFAOYSA-N -1 1 342.380 2.250 20 0 EEADMM CSc1ccccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647943946 1353410322 /nfs/dbraw/zinc/41/03/22/1353410322.db2.gz FEPHHWAWNSWCHQ-AWEZNQCLSA-N -1 1 325.397 2.441 20 0 EEADMM CCCn1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)nn1 ZINC001654505688 1354149943 /nfs/dbraw/zinc/14/99/43/1354149943.db2.gz OWSAACNHAWIYOR-UHFFFAOYSA-N -1 1 347.766 2.085 20 0 EEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1Cl ZINC000080376975 1355256440 /nfs/dbraw/zinc/25/64/40/1355256440.db2.gz YEPMNCXSRAGXDB-LDWIPMOCSA-N -1 1 329.784 2.003 20 0 EEADMM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000856309982 1369412822 /nfs/dbraw/zinc/41/28/22/1369412822.db2.gz UCGHCJIUXPVIOI-XIKOKIGWSA-N -1 1 349.431 2.466 20 0 EEADMM CC(=O)N1CCC[C@@H](c2nc(CC[N-]C(=O)C(F)(F)F)cs2)C1 ZINC000864369708 1369596078 /nfs/dbraw/zinc/59/60/78/1369596078.db2.gz ZBYLBAXFDYRSFZ-SNVBAGLBSA-N -1 1 349.378 2.090 20 0 EEADMM Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)ccc2[O-])C3)n1 ZINC000927057425 1369861945 /nfs/dbraw/zinc/86/19/45/1369861945.db2.gz JLBTXJHGADPYTE-GTNSWQLSSA-N -1 1 331.347 2.417 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001123771826 1372181149 /nfs/dbraw/zinc/18/11/49/1372181149.db2.gz ZMNQQOARNVUOFE-GMSGAONNSA-N -1 1 337.351 2.343 20 0 EEADMM C[C@H](CN(C)C(=O)c1cnc(Cl)cc1C(F)(F)F)c1nn[n-]n1 ZINC001123786194 1372185632 /nfs/dbraw/zinc/18/56/32/1372185632.db2.gz OWVOLISKEKLAMW-ZCFIWIBFSA-N -1 1 348.716 2.143 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1nc2c(s1)CSCC2 ZINC001123878159 1372193674 /nfs/dbraw/zinc/19/36/74/1372193674.db2.gz NFQHSKMWCMWHRP-UHFFFAOYSA-N -1 1 340.455 2.277 20 0 EEADMM O=C(CN1CC[C@H](Oc2ccccc2)C1)[N-]OCc1ccccc1 ZINC000829101338 1372269784 /nfs/dbraw/zinc/26/97/84/1372269784.db2.gz RTNVNQRQZXURFW-SFHVURJKSA-N -1 1 326.396 2.388 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CC3CCC2CC3)C1 ZINC000830795435 1372350365 /nfs/dbraw/zinc/35/03/65/1372350365.db2.gz KMZDXWNICBXEHV-UFDFEIGVSA-N -1 1 332.366 2.482 20 0 EEADMM CC(C)COC[C@H]1CN(Cc2ncccc2[O-])Cc2ncn(C)c21 ZINC001138390798 1372390053 /nfs/dbraw/zinc/39/00/53/1372390053.db2.gz IZQUPOSZWRBPKI-CQSZACIVSA-N -1 1 330.432 2.293 20 0 EEADMM CCOC[C@@H]1CN(Cc2ccccc2C(=O)[O-])Cc2cnn(C)c21 ZINC001140501886 1372588128 /nfs/dbraw/zinc/58/81/28/1372588128.db2.gz OPRGBLMNTSVORP-HNNXBMFYSA-N -1 1 329.400 2.254 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2C[C@H]2CC(C)C)cc1 ZINC000837972160 1372813979 /nfs/dbraw/zinc/81/39/79/1372813979.db2.gz BPKGHYGJJQFSHN-UKRRQHHQSA-N -1 1 333.384 2.177 20 0 EEADMM O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cccc([O-])c1F ZINC001361829911 1373345489 /nfs/dbraw/zinc/34/54/89/1373345489.db2.gz VLZFIUAICFJPRB-UHFFFAOYSA-N -1 1 328.343 2.354 20 0 EEADMM COc1cccc(O)c1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001362043404 1373362689 /nfs/dbraw/zinc/36/26/89/1373362689.db2.gz UOGVZRJWRGIUNF-BETUJISGSA-N -1 1 336.432 2.018 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC001362186428 1373375832 /nfs/dbraw/zinc/37/58/32/1373375832.db2.gz YNAZKUJCFJTJLL-UHFFFAOYSA-N -1 1 349.408 2.240 20 0 EEADMM CSc1ncc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c(=O)[n-]1 ZINC001362218415 1373378873 /nfs/dbraw/zinc/37/88/73/1373378873.db2.gz DGNKPJCCNSUSDW-WDEREUQCSA-N -1 1 325.434 2.228 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c(=O)[n-]1 ZINC001362470700 1373418387 /nfs/dbraw/zinc/41/83/87/1373418387.db2.gz PMLSHQNEHNYAEZ-GWCFXTLKSA-N -1 1 333.413 2.146 20 0 EEADMM O=C(N[C@@H](CO)c1cccnc1)c1ccc(Br)cc1[O-] ZINC001362576054 1373433904 /nfs/dbraw/zinc/43/39/04/1373433904.db2.gz MCGDZTHBLIGXIP-LBPRGKRZSA-N -1 1 337.173 2.013 20 0 EEADMM CCC(CC)(NC(=O)[C@H]1COc2cc(C)c(C)cc21)c1nn[n-]n1 ZINC001362626667 1373438830 /nfs/dbraw/zinc/43/88/30/1373438830.db2.gz SPFJRVAVICENIL-ZDUSSCGKSA-N -1 1 329.404 2.124 20 0 EEADMM CCCc1ccc(N2C[C@@H](C(=O)Nc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001363708831 1373545475 /nfs/dbraw/zinc/54/54/75/1373545475.db2.gz QBYTWEYYJUMBDX-LBPRGKRZSA-N -1 1 328.372 2.059 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(C(F)(F)F)c[nH]c1=O ZINC001365193249 1373679695 /nfs/dbraw/zinc/67/96/95/1373679695.db2.gz FWJZEJZYALLSBG-UHFFFAOYSA-N -1 1 341.171 2.195 20 0 EEADMM CCCc1nc(C)c(CNS(=O)(=O)c2cc(OC)ccc2[O-])o1 ZINC001365711292 1373752051 /nfs/dbraw/zinc/75/20/51/1373752051.db2.gz MFVHXWKMCJTVSA-UHFFFAOYSA-N -1 1 340.401 2.128 20 0 EEADMM CC(C)CC1(C(=O)N(C)C[C@@H](C)NCc2n[nH]c(=O)[n-]2)CCCC1 ZINC001369284735 1374525823 /nfs/dbraw/zinc/52/58/23/1374525823.db2.gz IDNGMZDAUHKLNN-CYBMUJFWSA-N -1 1 337.468 2.053 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001370472160 1374953842 /nfs/dbraw/zinc/95/38/42/1374953842.db2.gz LOILCKNSUYVRKZ-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM O=C(CCCC1CCCC1)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372015780 1375715865 /nfs/dbraw/zinc/71/58/65/1375715865.db2.gz AMUOWMSFBBMOHB-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC001372576328 1376087302 /nfs/dbraw/zinc/08/73/02/1376087302.db2.gz MYWHAAJVVFYODU-RHYQMDGZSA-N -1 1 335.370 2.416 20 0 EEADMM CCCCC(=O)NC[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001372774176 1376199211 /nfs/dbraw/zinc/19/92/11/1376199211.db2.gz XIDAKJRDHLGEMY-NSHDSACASA-N -1 1 336.436 2.039 20 0 EEADMM C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374065896 1376578436 /nfs/dbraw/zinc/57/84/36/1376578436.db2.gz MPWAXGBVRDBNIH-ZDUSSCGKSA-N -1 1 329.375 2.445 20 0 EEADMM CC(C)CCC(=O)N[C@]1(CNCc2n[nH]c(=O)[n-]2)CCCC[C@@H]1C ZINC001378432273 1379952857 /nfs/dbraw/zinc/95/28/57/1379952857.db2.gz ZETUYUDQMLUFJC-GUYCJALGSA-N -1 1 337.468 2.101 20 0 EEADMM CCN(C(=O)c1ccsc1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383715939 1382685307 /nfs/dbraw/zinc/68/53/07/1382685307.db2.gz CLZIFADTMNXGOQ-LLVKDONJSA-N -1 1 333.413 2.129 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CCNC(=O)CC1CC1 ZINC001385016711 1385345617 /nfs/dbraw/zinc/34/56/17/1385345617.db2.gz GMEOAKLEXBMERK-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CCC1(C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001385254916 1385403491 /nfs/dbraw/zinc/40/34/91/1385403491.db2.gz QOPRJBSNYQJJLY-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385866641 1385879150 /nfs/dbraw/zinc/87/91/50/1385879150.db2.gz TVSRKXJIEKKWRS-HIFRSBDPSA-N -1 1 347.459 2.484 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001387182269 1386555566 /nfs/dbraw/zinc/55/55/66/1386555566.db2.gz UHNJFJSKVOUUSB-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)C[C@@H](C)CC(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387901802 1387072612 /nfs/dbraw/zinc/07/26/12/1387072612.db2.gz KFFPLEQMCYJKQW-CYBMUJFWSA-N -1 1 333.432 2.048 20 0 EEADMM CCC(CC)CC(=O)NCCN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001388021175 1387143269 /nfs/dbraw/zinc/14/32/69/1387143269.db2.gz OGCWAOVPMJKRFM-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM CC(C)c1cnc(CN(C)[C@H](C)CNC(=O)c2ncccc2[O-])o1 ZINC001394067334 1390601801 /nfs/dbraw/zinc/60/18/01/1390601801.db2.gz SYJJTUDBAGWFNV-GFCCVEGCSA-N -1 1 332.404 2.149 20 0 EEADMM CN(CC(C)(C)CNC(=O)[C@H]1CC1(C)C)C(=O)c1ncccc1[O-] ZINC001395016864 1390772784 /nfs/dbraw/zinc/77/27/84/1390772784.db2.gz ZHGATDKRAYEBIJ-GFCCVEGCSA-N -1 1 333.432 2.048 20 0 EEADMM CCCC[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001395238982 1390804862 /nfs/dbraw/zinc/80/48/62/1390804862.db2.gz GZLPZVYVSUKISE-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM CCC(CC)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001396220043 1390923913 /nfs/dbraw/zinc/92/39/13/1390923913.db2.gz CDLZJLJFKUAGBL-UKRRQHHQSA-N -1 1 347.459 2.438 20 0 EEADMM CCC(C)(C)C(=O)N[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001396385945 1390940044 /nfs/dbraw/zinc/94/00/44/1390940044.db2.gz FCIZKQLFCCJYJW-ZIAGYGMSSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001399567985 1395258073 /nfs/dbraw/zinc/25/80/73/1395258073.db2.gz BHRQGTMSDIUPRJ-ZDUSSCGKSA-N -1 1 333.432 2.094 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])c(C)c1 ZINC001400308902 1396165622 /nfs/dbraw/zinc/16/56/22/1396165622.db2.gz YYKKAYPNBKNNNQ-AWEZNQCLSA-N -1 1 341.411 2.261 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)C2CCCC2)C1 ZINC001401026978 1396859084 /nfs/dbraw/zinc/85/90/84/1396859084.db2.gz XQBIOUVFJZIURA-IBGZPJMESA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@@H](CN[C@H](C)c1nnc(C)o1)NC(=O)c1ncccc1[O-] ZINC001422687549 1400124493 /nfs/dbraw/zinc/12/44/93/1400124493.db2.gz SVCZBVDFSANOKK-YPMHNXCESA-N -1 1 347.419 2.118 20 0 EEADMM O=S(=O)([N-][C@@H](CO)Cc1ccccc1)c1sccc1Cl ZINC001423968733 1400834275 /nfs/dbraw/zinc/83/42/75/1400834275.db2.gz JPXDOLOHAQGQLX-LLVKDONJSA-N -1 1 331.846 2.283 20 0 EEADMM CC(C)CC(=O)NCc1ccc([C@@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001424070097 1400895820 /nfs/dbraw/zinc/89/58/20/1400895820.db2.gz UWDJVMIKRFUCCD-GFCCVEGCSA-N -1 1 331.420 2.023 20 0 EEADMM CCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(C)ns1)CC(C)C ZINC001424346132 1401078220 /nfs/dbraw/zinc/07/82/20/1401078220.db2.gz FYHXCSCNCSUWMM-LBPRGKRZSA-N -1 1 348.490 2.345 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001424890352 1401282527 /nfs/dbraw/zinc/28/25/27/1401282527.db2.gz KWTHRXFZQGPEDQ-OCCSQVGLSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001425701199 1401746956 /nfs/dbraw/zinc/74/69/56/1401746956.db2.gz BZPRTJJKHDGZGJ-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H](C)COCc2ccccc2)c(=O)[n-]1 ZINC001433630743 1403417846 /nfs/dbraw/zinc/41/78/46/1403417846.db2.gz QDZFXPGRMXGCPH-GFCCVEGCSA-N -1 1 347.440 2.487 20 0 EEADMM CO[C@@H](C)CCC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001433887751 1403442895 /nfs/dbraw/zinc/44/28/95/1403442895.db2.gz IHYJSRREOWNILV-ISVAXAHUSA-N -1 1 341.774 2.013 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2cc3c([nH]2)c(F)ccc3OC)n1 ZINC001570104364 1403509308 /nfs/dbraw/zinc/50/93/08/1403509308.db2.gz FXQQGGHRCKXCMS-UHFFFAOYSA-N -1 1 346.318 2.468 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccnc1 ZINC001573902046 1403517494 /nfs/dbraw/zinc/51/74/94/1403517494.db2.gz JRXFDVLJTIOTHL-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccnc1 ZINC001573902046 1403517498 /nfs/dbraw/zinc/51/74/98/1403517498.db2.gz JRXFDVLJTIOTHL-UHFFFAOYSA-N -1 1 340.362 2.108 20 0 EEADMM CCCCC(=O)NCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001577421302 1403649753 /nfs/dbraw/zinc/64/97/53/1403649753.db2.gz JVZKISRWBRQKRA-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CCCCC(=O)NCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001577421302 1403649758 /nfs/dbraw/zinc/64/97/58/1403649758.db2.gz JVZKISRWBRQKRA-UHFFFAOYSA-N -1 1 343.844 2.085 20 0 EEADMM CCOc1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1OCC ZINC001578398307 1403746395 /nfs/dbraw/zinc/74/63/95/1403746395.db2.gz YQLIBKUQMVWHGO-UHFFFAOYSA-N -1 1 326.360 2.225 20 0 EEADMM CCOc1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1OCC ZINC001578398307 1403746402 /nfs/dbraw/zinc/74/64/02/1403746402.db2.gz YQLIBKUQMVWHGO-UHFFFAOYSA-N -1 1 326.360 2.225 20 0 EEADMM CS(C)(=O)=Nc1cccc(NCc2cccc(-c3nnn[n-]3)n2)c1 ZINC001580176758 1403841348 /nfs/dbraw/zinc/84/13/48/1403841348.db2.gz VVQMYFJXXSFHED-UHFFFAOYSA-N -1 1 343.416 2.233 20 0 EEADMM CS(C)(=O)=Nc1cccc(NCc2cccc(-c3nn[n-]n3)n2)c1 ZINC001580176758 1403841351 /nfs/dbraw/zinc/84/13/51/1403841351.db2.gz VVQMYFJXXSFHED-UHFFFAOYSA-N -1 1 343.416 2.233 20 0 EEADMM Cc1ccc(Cl)cc1CNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001581201865 1403877516 /nfs/dbraw/zinc/87/75/16/1403877516.db2.gz XJRAVZPJTKZWQB-UHFFFAOYSA-N -1 1 342.790 2.082 20 0 EEADMM Cc1ccc(Cl)cc1CNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001581201865 1403877521 /nfs/dbraw/zinc/87/75/21/1403877521.db2.gz XJRAVZPJTKZWQB-UHFFFAOYSA-N -1 1 342.790 2.082 20 0 EEADMM CCOC(=O)[C@H](CCC(C)(C)C)NCc1ccc(-c2nnn[n-]2)o1 ZINC001590754082 1403896102 /nfs/dbraw/zinc/89/61/02/1403896102.db2.gz ZSZRWZYGSRXWAA-LBPRGKRZSA-N -1 1 335.408 2.307 20 0 EEADMM CCOC(=O)[C@H](CCC(C)(C)C)NCc1ccc(-c2nn[n-]n2)o1 ZINC001590754082 1403896111 /nfs/dbraw/zinc/89/61/11/1403896111.db2.gz ZSZRWZYGSRXWAA-LBPRGKRZSA-N -1 1 335.408 2.307 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)s1 ZINC001592134397 1404003033 /nfs/dbraw/zinc/00/30/33/1404003033.db2.gz CTNJHYZKHMIPCL-JTQLQIEISA-N -1 1 328.401 2.052 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)s1 ZINC001592134397 1404003042 /nfs/dbraw/zinc/00/30/42/1404003042.db2.gz CTNJHYZKHMIPCL-JTQLQIEISA-N -1 1 328.401 2.052 20 0 EEADMM Cc1ccncc1CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC001592276423 1404016654 /nfs/dbraw/zinc/01/66/54/1404016654.db2.gz GJVDRLMAZITQID-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM Cc1ccncc1CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC001592276423 1404016659 /nfs/dbraw/zinc/01/66/59/1404016659.db2.gz GJVDRLMAZITQID-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3ncccc32)c1-c1nnn[n-]1 ZINC001592482143 1404701058 /nfs/dbraw/zinc/70/10/58/1404701058.db2.gz UZBPELMANWKUKC-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3ncccc32)c1-c1nn[n-]n1 ZINC001592482143 1404701064 /nfs/dbraw/zinc/70/10/64/1404701064.db2.gz UZBPELMANWKUKC-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nsc(NCc2cccc3c2CCOC3)c1-c1nn[n-]n1 ZINC001592492917 1404703210 /nfs/dbraw/zinc/70/32/10/1404703210.db2.gz DPHGKHORMJNJAJ-UHFFFAOYSA-N -1 1 328.401 2.316 20 0 EEADMM Cc1nsc(SCCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC001592494182 1404704132 /nfs/dbraw/zinc/70/41/32/1404704132.db2.gz IXPFXNNYZUSHOR-UHFFFAOYSA-N -1 1 342.450 2.248 20 0 EEADMM Cc1nsc(SCCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592494182 1404704138 /nfs/dbraw/zinc/70/41/38/1404704138.db2.gz IXPFXNNYZUSHOR-UHFFFAOYSA-N -1 1 342.450 2.248 20 0 EEADMM O=C(NCC1(c2cccc(F)c2)CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593024756 1404734883 /nfs/dbraw/zinc/73/48/83/1404734883.db2.gz LOIUVXDJWWXRHQ-UHFFFAOYSA-N -1 1 327.319 2.060 20 0 EEADMM O=C(NCC1(c2cccc(F)c2)CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593024756 1404734887 /nfs/dbraw/zinc/73/48/87/1404734887.db2.gz LOIUVXDJWWXRHQ-UHFFFAOYSA-N -1 1 327.319 2.060 20 0 EEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593047906 1404739143 /nfs/dbraw/zinc/73/91/43/1404739143.db2.gz VHPSHDFNJYYLAE-AWEZNQCLSA-N -1 1 341.396 2.220 20 0 EEADMM O=C(NC[C@@H]1SCCc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593047906 1404739148 /nfs/dbraw/zinc/73/91/48/1404739148.db2.gz VHPSHDFNJYYLAE-AWEZNQCLSA-N -1 1 341.396 2.220 20 0 EEADMM COC(=O)/C(C)=C/CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001606320050 1404791338 /nfs/dbraw/zinc/79/13/38/1404791338.db2.gz CJBIYMIREXTXJZ-YSKGHYERSA-N -1 1 327.764 2.183 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCC1(OC)CCC1 ZINC001645801888 1404856550 /nfs/dbraw/zinc/85/65/50/1404856550.db2.gz YVHMZRXXVSYIPY-UHFFFAOYSA-N -1 1 335.372 2.211 20 0 EEADMM C[C@@H](CCCCNC(=O)c1ncccc1[O-])NC(=O)C1CC2(CC2)C1 ZINC001756928803 1409518011 /nfs/dbraw/zinc/51/80/11/1409518011.db2.gz HHXLRCJAURAEPO-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@@]1(C)CC=CCC1 ZINC001757287956 1409625082 /nfs/dbraw/zinc/62/50/82/1409625082.db2.gz JWDYIHXWIFXXRD-KUHUBIRLSA-N -1 1 343.427 2.207 20 0 EEADMM CC(C)(C)c1ncc(C(=O)OCC(=O)c2ccc([O-])cc2O)cn1 ZINC001771705791 1409921760 /nfs/dbraw/zinc/92/17/60/1409921760.db2.gz HOVAFZPLMDQRER-UHFFFAOYSA-N -1 1 330.340 2.225 20 0 EEADMM O=C(OCc1nn[n-]n1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC001772361091 1410148540 /nfs/dbraw/zinc/14/85/40/1410148540.db2.gz CIGVHXMEAHXWLW-RFZWMSCOSA-N -1 1 330.310 2.392 20 0 EEADMM Cc1nn(C)cc1[C@@H]1OCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000855064616 1410393246 /nfs/dbraw/zinc/39/32/46/1410393246.db2.gz RGPIGRFYYBTUOG-DOMZBBRYSA-N -1 1 335.791 2.348 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccc(C)c(F)c2)c1[O-] ZINC001027833985 773218790 /nfs/dbraw/zinc/21/87/90/773218790.db2.gz XCHAMMNPVIMOGA-AWEZNQCLSA-N -1 1 346.406 2.266 20 0 EEADMM O=S(=O)([N-][C@@H](c1ccccn1)C1CC1)c1ccc(F)nc1F ZINC000921428724 773338384 /nfs/dbraw/zinc/33/83/84/773338384.db2.gz BPHWCTXXYHSUTJ-CYBMUJFWSA-N -1 1 325.340 2.184 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000942757785 783144761 /nfs/dbraw/zinc/14/47/61/783144761.db2.gz IXEVKRGBGPQEHX-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1nc(CN2CCCN(C(=O)c3ncccc3[O-])CC2)c(C)s1 ZINC000981026378 776401154 /nfs/dbraw/zinc/40/11/54/776401154.db2.gz CVRQIRQDJNGLGV-UHFFFAOYSA-N -1 1 346.456 2.209 20 0 EEADMM CC(C)c1nccc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001058879023 777135271 /nfs/dbraw/zinc/13/52/71/777135271.db2.gz ITYRSUSZGLMDPE-LBPRGKRZSA-N -1 1 327.388 2.027 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000940136405 778161374 /nfs/dbraw/zinc/16/13/74/778161374.db2.gz ZQBNLBHGEDWJDF-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)cc1C ZINC000940139041 778166022 /nfs/dbraw/zinc/16/60/22/778166022.db2.gz OFAARISIXILLAF-OAHLLOKOSA-N -1 1 339.395 2.049 20 0 EEADMM NS(=O)(=O)Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000182874833 779880050 /nfs/dbraw/zinc/88/00/50/779880050.db2.gz VQADDAMQQVCEOJ-UHFFFAOYSA-N -1 1 340.788 2.086 20 0 EEADMM COCc1nc(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(=O)[n-]1 ZINC000893830391 780207640 /nfs/dbraw/zinc/20/76/40/780207640.db2.gz SKSFHTGBJNGZLD-OWCLPIDISA-N -1 1 341.411 2.338 20 0 EEADMM CO[C@@H](C)CCC(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000183405365 780905640 /nfs/dbraw/zinc/90/56/40/780905640.db2.gz URCOZSDDJORBOW-QMMMGPOBSA-N -1 1 347.184 2.164 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ncnc3scnc32)Cc2ccccc2C1 ZINC001167932265 780964641 /nfs/dbraw/zinc/96/46/41/780964641.db2.gz PITCLRJAFQZMPH-UHFFFAOYSA-N -1 1 348.324 2.171 20 0 EEADMM CC(=O)Nc1ccc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167934825 780990356 /nfs/dbraw/zinc/99/03/56/780990356.db2.gz VRCLRIUTKDTSKL-UHFFFAOYSA-N -1 1 347.311 2.125 20 0 EEADMM CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(OC)OC ZINC000839745975 781761364 /nfs/dbraw/zinc/76/13/64/781761364.db2.gz UAXHDCBOUAPSFW-JTQLQIEISA-N -1 1 332.194 2.282 20 0 EEADMM C[C@@H](C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(C)(C)C ZINC001088336536 783553263 /nfs/dbraw/zinc/55/32/63/783553263.db2.gz GWDHFORVCKDJDQ-STQMWFEESA-N -1 1 337.468 2.053 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)c1cccs1 ZINC000945275359 783746432 /nfs/dbraw/zinc/74/64/32/783746432.db2.gz AERRYTFUOXDIJA-NEPJUHHUSA-N -1 1 345.424 2.129 20 0 EEADMM CCOCCO[N-]C(=O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000816172124 783773255 /nfs/dbraw/zinc/77/32/55/783773255.db2.gz AEQOGAUGCVXIGX-UHFFFAOYSA-N -1 1 325.380 2.249 20 0 EEADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(Cn2ccccc2=O)o1 ZINC001129084189 783989369 /nfs/dbraw/zinc/98/93/69/783989369.db2.gz RMAOYTBWGIEGDP-UHFFFAOYSA-N -1 1 326.312 2.002 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2C3CCCC2CCC3)c1 ZINC000906876537 784203970 /nfs/dbraw/zinc/20/39/70/784203970.db2.gz FKPOONUGVAXYLN-UHFFFAOYSA-N -1 1 325.386 2.186 20 0 EEADMM Cc1cccc(CSCC(=O)N2CCSC[C@H]2c2nn[n-]n2)c1 ZINC000907478438 784648161 /nfs/dbraw/zinc/64/81/61/784648161.db2.gz VKNWKTRINCAMDR-ZDUSSCGKSA-N -1 1 349.485 2.058 20 0 EEADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479528 784685568 /nfs/dbraw/zinc/68/55/68/784685568.db2.gz KXRCXHPJDURLQM-ZNMIVQPWSA-N -1 1 343.456 2.182 20 0 EEADMM Cc1ncoc1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000907596989 784745869 /nfs/dbraw/zinc/74/58/69/784745869.db2.gz KKORKWZAFROTJF-UHFFFAOYSA-N -1 1 340.788 2.244 20 0 EEADMM CC(C)NC(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817571537 784842779 /nfs/dbraw/zinc/84/27/79/784842779.db2.gz ROZMPZHEQDYLNT-LLVKDONJSA-N -1 1 329.322 2.214 20 0 EEADMM CN(C)Cc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cn1 ZINC000908329001 785351502 /nfs/dbraw/zinc/35/15/02/785351502.db2.gz PMOCKCNHEHBPCI-UHFFFAOYSA-N -1 1 333.432 2.298 20 0 EEADMM Cc1ncc(-c2ccc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3)cc2)o1 ZINC000908708751 785661321 /nfs/dbraw/zinc/66/13/21/785661321.db2.gz CRJFGFIBKXWPKH-CQSZACIVSA-N -1 1 343.383 2.385 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000908716059 785667696 /nfs/dbraw/zinc/66/76/96/785667696.db2.gz ZLGLGFJHNUHEAB-MRVPVSSYSA-N -1 1 339.189 2.104 20 0 EEADMM CC(C)N(CC(=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000908745089 785683776 /nfs/dbraw/zinc/68/37/76/785683776.db2.gz XNFKRSAFDCEOMT-CQSZACIVSA-N -1 1 337.420 2.311 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC23OCCO3)c(F)c1 ZINC000819879793 785695213 /nfs/dbraw/zinc/69/52/13/785695213.db2.gz ZROFDJHLPRYLKO-CYBMUJFWSA-N -1 1 347.383 2.237 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c(F)c1 ZINC000819878264 785695752 /nfs/dbraw/zinc/69/57/52/785695752.db2.gz BTPNUQHLPOZMNT-LLVKDONJSA-N -1 1 347.383 2.237 20 0 EEADMM O=C([O-])[C@H]1CCCCCN1C(=O)NCCN1CCc2ccccc2C1 ZINC000908808446 785740155 /nfs/dbraw/zinc/74/01/55/785740155.db2.gz GXGWFIKOSCDSIK-QGZVFWFLSA-N -1 1 345.443 2.084 20 0 EEADMM CCCN(C(=O)NCCN1CCc2ccccc2C1)[C@@H](CC)C(=O)[O-] ZINC000908808194 785740875 /nfs/dbraw/zinc/74/08/75/785740875.db2.gz BFQLIZORFCIGKV-KRWDZBQOSA-N -1 1 347.459 2.330 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000908818884 785754626 /nfs/dbraw/zinc/75/46/26/785754626.db2.gz JDYWLSJBMJSXAI-SQNIBIBYSA-N -1 1 344.455 2.311 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2nc(C)cs2)c1 ZINC000820150012 785808273 /nfs/dbraw/zinc/80/82/73/785808273.db2.gz LLVRZVUPGOBKSH-OAQYLSRUSA-N -1 1 325.411 2.311 20 0 EEADMM Cc1ccc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000170915375 791143979 /nfs/dbraw/zinc/14/39/79/791143979.db2.gz SYNZKINHADTISI-UHFFFAOYSA-N -1 1 325.368 2.234 20 0 EEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC=CCC1)c1ncccc1[O-] ZINC000996144709 786083175 /nfs/dbraw/zinc/08/31/75/786083175.db2.gz OCFOWUFOYSWSLC-KBXIAJHMSA-N -1 1 341.411 2.005 20 0 EEADMM C[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2)C1CCC1 ZINC000996155352 786095440 /nfs/dbraw/zinc/09/54/40/786095440.db2.gz JHGBRRWJANHKAQ-RZFFKMDDSA-N -1 1 343.427 2.085 20 0 EEADMM O=C([O-])[C@H](CC(F)F)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000909773480 786237839 /nfs/dbraw/zinc/23/78/39/786237839.db2.gz KFBBXVUPTTXWOJ-UONOGXRCSA-N -1 1 340.370 2.266 20 0 EEADMM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000909785192 786245465 /nfs/dbraw/zinc/24/54/65/786245465.db2.gz PPQKSDGCDMGPBT-XHDPSFHLSA-N -1 1 343.383 2.202 20 0 EEADMM C[C@@H](C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)N(C)C ZINC000910034774 786411110 /nfs/dbraw/zinc/41/11/10/786411110.db2.gz YOXGWCJWQDXGHW-YOEHRIQHSA-N -1 1 332.444 2.434 20 0 EEADMM Cc1c(NC(=O)[C@H](C)N(C)C)cc(Br)cc1C(=O)[O-] ZINC000910080082 786419889 /nfs/dbraw/zinc/41/98/89/786419889.db2.gz GCXWJCIKLZHTGV-QMMMGPOBSA-N -1 1 329.194 2.344 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H]2CCC[C@@H]21 ZINC000910238311 786561335 /nfs/dbraw/zinc/56/13/35/786561335.db2.gz BQKYQDJVWJWDQQ-KFWWJZLASA-N -1 1 340.383 2.187 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc3sccc3c2)C1 ZINC000910243634 786568804 /nfs/dbraw/zinc/56/88/04/786568804.db2.gz NMTUJNWSUCXTPN-CQSZACIVSA-N -1 1 332.425 2.314 20 0 EEADMM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000910368543 786698364 /nfs/dbraw/zinc/69/83/64/786698364.db2.gz GTTOQDYBRYPGIY-GJZGRUSLSA-N -1 1 336.457 2.064 20 0 EEADMM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C2 ZINC000910500113 786838002 /nfs/dbraw/zinc/83/80/02/786838002.db2.gz JTSDNUYUJKRWLQ-UHFFFAOYSA-N -1 1 339.273 2.325 20 0 EEADMM C[C@]1(c2ccccc2)CCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000910505781 786842283 /nfs/dbraw/zinc/84/22/83/786842283.db2.gz LZLAYJYIMYKVDI-DNVCBOLYSA-N -1 1 330.428 2.321 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)[C@H]3CC[C@@H]4CCCCN34)nc2C1 ZINC000910686753 786981017 /nfs/dbraw/zinc/98/10/17/786981017.db2.gz ZHVUZLKSKNZMLJ-NTZNESFSSA-N -1 1 349.456 2.288 20 0 EEADMM Cc1sc([C@H]2CCCN2C(=O)[C@@H](C)Cc2cnc[nH]2)nc1C(=O)[O-] ZINC000910721637 786991841 /nfs/dbraw/zinc/99/18/41/786991841.db2.gz VPGNHXRBFFGDGI-JOYOIKCWSA-N -1 1 348.428 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O=C(CCc1ccc(Cl)c(F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745538 794212916 /nfs/dbraw/zinc/21/29/16/794212916.db2.gz IZLSGWRFTIGZDZ-UHFFFAOYSA-N -1 1 337.786 2.331 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060435420 794672185 /nfs/dbraw/zinc/67/21/85/794672185.db2.gz NPAJPUITIOBABO-UONOGXRCSA-N -1 1 333.432 2.048 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@H](C)c3ccccc3F)C[C@H]2C)c1[O-] ZINC001079573897 794950361 /nfs/dbraw/zinc/95/03/61/794950361.db2.gz RDROQWSKVZGZJV-IXPVHAAZSA-N -1 1 346.406 2.374 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)n[n-]1 ZINC001212429554 795404381 /nfs/dbraw/zinc/40/43/81/795404381.db2.gz IWSHBGCECAXWRT-UHFFFAOYSA-N -1 1 339.355 2.166 20 0 EEADMM CC(=O)c1cc(-c2nc(-c3ccc(N4CCOCC4)cc3)no2)[n-]n1 ZINC001212429554 795404385 /nfs/dbraw/zinc/40/43/85/795404385.db2.gz IWSHBGCECAXWRT-UHFFFAOYSA-N -1 1 339.355 2.166 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)[C@]12C[C@H]1CCCC2 ZINC000946536314 795596718 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EEADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cncc([O-])c1 ZINC000174991040 231361384 /nfs/dbraw/zinc/36/13/84/231361384.db2.gz YLJZIBUTONKTMO-UHFFFAOYSA-N -1 1 331.338 2.181 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)co1 ZINC000179467776 530025783 /nfs/dbraw/zinc/02/57/83/530025783.db2.gz CQOVPDCFPDVWLY-BZNIZROVSA-N -1 1 348.424 2.241 20 0 EEADMM CCn1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000130530938 539412077 /nfs/dbraw/zinc/41/20/77/539412077.db2.gz JFQYIMNZGPQWHA-UHFFFAOYSA-N -1 1 333.369 2.488 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000173971331 290789590 /nfs/dbraw/zinc/78/95/90/290789590.db2.gz GNGHYSUDWPMKHS-NHYWBVRUSA-N -1 1 334.397 2.021 20 0 EEADMM CC(C)n1c(CNC(=O)c2ccc(C(=O)N(C)C)cc2)n[n-]c1=S ZINC000066640146 215061862 /nfs/dbraw/zinc/06/18/62/215061862.db2.gz QLLHQDQPZJEKFQ-UHFFFAOYSA-N -1 1 347.444 2.153 20 0 EEADMM Cc1nc2ccccc2c(C)c1CC(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183442080 539596310 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EEADMM O=C(c1ccccn1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000192870333 534753239 /nfs/dbraw/zinc/75/32/39/534753239.db2.gz DKJMNNMQFWZQOY-UHFFFAOYSA-N -1 1 345.786 2.039 20 0 EEADMM CCC[C@@H]1CCCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)C1 ZINC000155088978 527746867 /nfs/dbraw/zinc/74/68/67/527746867.db2.gz YHJFZHPDHMNUFL-CQSZACIVSA-N -1 1 330.432 2.221 20 0 EEADMM CCC[C@H](C)c1cc(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)n[nH]1 ZINC000132125890 528085781 /nfs/dbraw/zinc/08/57/81/528085781.db2.gz ALPZZBGPEOCVFV-VIFPVBQESA-N -1 1 340.405 2.067 20 0 EEADMM CCOc1cc(C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc(Cl)c1[O-] ZINC000186813537 528231690 /nfs/dbraw/zinc/23/16/90/528231690.db2.gz KGCFWVCTXUWAFZ-GFCCVEGCSA-N -1 1 340.807 2.183 20 0 EEADMM CCC[C@@H](NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC000184440296 528990443 /nfs/dbraw/zinc/99/04/43/528990443.db2.gz FUJKPDPUCQJYOZ-VDDIYKPWSA-N -1 1 339.321 2.378 20 0 EEADMM CC[C@H]1[C@H](C)CCN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000187438671 529340412 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CCCNC(=O)Nc1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000725714902 575979940 /nfs/dbraw/zinc/97/99/40/575979940.db2.gz RNNWDOLXLCFULE-MRXNPFEDSA-N -1 1 335.404 2.335 20 0 EEADMM COc1ccc(OC)c2c1CN([C@@H](C(=O)[O-])c1ccccc1)C[C@@H]2O ZINC000738048091 576293443 /nfs/dbraw/zinc/29/34/43/576293443.db2.gz OLWBWOYKYFYMCM-KBXCAEBGSA-N -1 1 343.379 2.379 20 0 EEADMM O=C(COC(=O)c1cc(F)c(F)c(F)c1)[N-]C(=O)c1ccccc1 ZINC000728658018 576515981 /nfs/dbraw/zinc/51/59/81/576515981.db2.gz LXPFETCVYIGEBD-UHFFFAOYSA-N -1 1 337.253 2.217 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000738167495 576700378 /nfs/dbraw/zinc/70/03/78/576700378.db2.gz CTPISOPTIVDCLU-UHFFFAOYSA-N -1 1 325.328 2.163 20 0 EEADMM C[C@@H]1CCCN(c2nc([O-])c(CC(=O)Nc3cccc(O)c3)s2)C1 ZINC000731357223 577095005 /nfs/dbraw/zinc/09/50/05/577095005.db2.gz DFZCMSWDHCXMTO-BXUZGUMPSA-N -1 1 347.440 2.451 20 0 EEADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000732278738 577164915 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CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(NC(N)=O)cc2)c1 ZINC000744554560 577899891 /nfs/dbraw/zinc/89/98/91/577899891.db2.gz SAQSAXYHIGFYLY-UHFFFAOYSA-N -1 1 342.351 2.485 20 0 EEADMM CCc1cnc(COC(=O)c2sccc2[N-]S(C)(=O)=O)o1 ZINC000744797025 577903155 /nfs/dbraw/zinc/90/31/55/577903155.db2.gz ZNIAXJHADSLMMU-UHFFFAOYSA-N -1 1 330.387 2.027 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000735757654 578166895 /nfs/dbraw/zinc/16/68/95/578166895.db2.gz VJISWASODHPHJK-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM CC(C)CC(=O)Nc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000735757654 578166896 /nfs/dbraw/zinc/16/68/96/578166896.db2.gz VJISWASODHPHJK-UHFFFAOYSA-N -1 1 338.375 2.385 20 0 EEADMM C[C@H](C(=O)N1CCc2ccccc21)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736212922 578187641 /nfs/dbraw/zinc/18/76/41/578187641.db2.gz VMEJLYORBBTKIL-UKRRQHHQSA-N -1 1 328.412 2.151 20 0 EEADMM CC1(c2ccccc2)CC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736223685 578188140 /nfs/dbraw/zinc/18/81/40/578188140.db2.gz 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FAPWKHZLZUPRKJ-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H]1c1cccnc1 ZINC000823483188 606499952 /nfs/dbraw/zinc/49/99/52/606499952.db2.gz FAPWKHZLZUPRKJ-NSHDSACASA-N -1 1 326.385 2.301 20 0 EEADMM COC(=O)c1cc(C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821666804 606513753 /nfs/dbraw/zinc/51/37/53/606513753.db2.gz GZMVVRRXZIUWHA-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cc(C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821666804 606513756 /nfs/dbraw/zinc/51/37/56/606513756.db2.gz GZMVVRRXZIUWHA-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM CCCCc1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821077668 606531894 /nfs/dbraw/zinc/53/18/94/606531894.db2.gz PLTKZIAESHCZEI-UHFFFAOYSA-N -1 1 325.376 2.114 20 0 EEADMM CCCCc1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821077668 606531896 /nfs/dbraw/zinc/53/18/96/606531896.db2.gz PLTKZIAESHCZEI-UHFFFAOYSA-N -1 1 325.376 2.114 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(c2nccs2)CC1 ZINC000823484186 606546400 /nfs/dbraw/zinc/54/64/00/606546400.db2.gz SXYPWFYSSKFSDR-UHFFFAOYSA-N -1 1 346.441 2.405 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(c2nccs2)CC1 ZINC000823484186 606546402 /nfs/dbraw/zinc/54/64/02/606546402.db2.gz SXYPWFYSSKFSDR-UHFFFAOYSA-N -1 1 346.441 2.405 20 0 EEADMM CC(C)Oc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820154854 606650806 /nfs/dbraw/zinc/65/08/06/606650806.db2.gz ACXGGYIZCCFDCJ-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820154854 606650807 /nfs/dbraw/zinc/65/08/07/606650807.db2.gz ACXGGYIZCCFDCJ-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1-c1nnn[n-]1 ZINC000822591595 606727742 /nfs/dbraw/zinc/72/77/42/606727742.db2.gz WKQKTVIUFQKJKM-RNJXMRFFSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1-c1nn[n-]n1 ZINC000822591595 606727744 /nfs/dbraw/zinc/72/77/44/606727744.db2.gz WKQKTVIUFQKJKM-RNJXMRFFSA-N -1 1 326.813 2.346 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)c1cccc(-c2nnn[n-]2)n1 ZINC000821617160 606880483 /nfs/dbraw/zinc/88/04/83/606880483.db2.gz ZPXQEWGCEVXONI-UHFFFAOYSA-N -1 1 332.371 2.288 20 0 EEADMM CN(Cc1nc(-c2ccccc2)c[nH]1)c1cccc(-c2nn[n-]n2)n1 ZINC000821617160 606880484 /nfs/dbraw/zinc/88/04/84/606880484.db2.gz ZPXQEWGCEVXONI-UHFFFAOYSA-N -1 1 332.371 2.288 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823289451 607045364 /nfs/dbraw/zinc/04/53/64/607045364.db2.gz JCGXKKGUFZGYQN-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823289451 607045366 /nfs/dbraw/zinc/04/53/66/607045366.db2.gz JCGXKKGUFZGYQN-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822009996 607103668 /nfs/dbraw/zinc/10/36/68/607103668.db2.gz JNRJMUGACASNPG-UHFFFAOYSA-N -1 1 339.384 2.294 20 0 EEADMM Cc1[nH]c2ccccc2c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822009996 607103670 /nfs/dbraw/zinc/10/36/70/607103670.db2.gz JNRJMUGACASNPG-UHFFFAOYSA-N -1 1 339.384 2.294 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820178062 607103934 /nfs/dbraw/zinc/10/39/34/607103934.db2.gz GQCPMFWGTHTBDP-UHFFFAOYSA-N -1 1 344.400 2.292 20 0 EEADMM CC(C)Oc1ccccc1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820178062 607103935 /nfs/dbraw/zinc/10/39/35/607103935.db2.gz GQCPMFWGTHTBDP-UHFFFAOYSA-N -1 1 344.400 2.292 20 0 EEADMM Clc1nsc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1-c1nnn[n-]1 ZINC000826353979 607821983 /nfs/dbraw/zinc/82/19/83/607821983.db2.gz LNOPVEYVBHIZDW-FTLITQJKSA-N -1 1 338.824 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1-c1nn[n-]n1 ZINC000826353979 607821984 /nfs/dbraw/zinc/82/19/84/607821984.db2.gz LNOPVEYVBHIZDW-FTLITQJKSA-N -1 1 338.824 2.346 20 0 EEADMM Cc1cccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826298259 607863863 /nfs/dbraw/zinc/86/38/63/607863863.db2.gz LBDMJSCFZWMMPM-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM Cc1cccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826298259 607863864 /nfs/dbraw/zinc/86/38/64/607863864.db2.gz LBDMJSCFZWMMPM-UHFFFAOYSA-N -1 1 341.346 2.009 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(C)c1 ZINC000826292876 607867616 /nfs/dbraw/zinc/86/76/16/607867616.db2.gz PVSJNXUANPUCAT-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(C)c1 ZINC000826292876 607867617 /nfs/dbraw/zinc/86/76/17/607867617.db2.gz PVSJNXUANPUCAT-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942308 607927031 /nfs/dbraw/zinc/92/70/31/607927031.db2.gz AVZQUOIKCXCUJN-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942308 607927032 /nfs/dbraw/zinc/92/70/32/607927032.db2.gz AVZQUOIKCXCUJN-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(CC)CC ZINC000825582556 607991267 /nfs/dbraw/zinc/99/12/67/607991267.db2.gz LEGIRESPLCIQCI-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(CC)CC ZINC000825582556 607991268 /nfs/dbraw/zinc/99/12/68/607991268.db2.gz LEGIRESPLCIQCI-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000824480572 608012482 /nfs/dbraw/zinc/01/24/82/608012482.db2.gz YQXCXFUFKXKPKG-LBPRGKRZSA-N -1 1 347.382 2.094 20 0 EEADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000824480572 608012483 /nfs/dbraw/zinc/01/24/83/608012483.db2.gz YQXCXFUFKXKPKG-LBPRGKRZSA-N -1 1 347.382 2.094 20 0 EEADMM c1cn(Cc2ccc(OCc3cccnc3)cc2)c(-c2nnn[n-]2)n1 ZINC000826525691 608013948 /nfs/dbraw/zinc/01/39/48/608013948.db2.gz VNVOKJYNHPFPTN-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2ccc(OCc3cccnc3)cc2)c(-c2nn[n-]n2)n1 ZINC000826525691 608013949 /nfs/dbraw/zinc/01/39/49/608013949.db2.gz VNVOKJYNHPFPTN-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826297422 608129805 /nfs/dbraw/zinc/12/98/05/608129805.db2.gz HCKSNWQCFIQMDP-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000826297422 608129806 /nfs/dbraw/zinc/12/98/06/608129806.db2.gz HCKSNWQCFIQMDP-HNNXBMFYSA-N -1 1 334.383 2.200 20 0 EEADMM Clc1nsc(Sc2nnc3ccccn32)c1-c1nnn[n-]1 ZINC000826354626 608170834 /nfs/dbraw/zinc/17/08/34/608170834.db2.gz NNYKAJDSNZKQOL-UHFFFAOYSA-N -1 1 336.793 2.171 20 0 EEADMM Clc1nsc(Sc2nnc3ccccn32)c1-c1nn[n-]n1 ZINC000826354626 608170836 /nfs/dbraw/zinc/17/08/36/608170836.db2.gz NNYKAJDSNZKQOL-UHFFFAOYSA-N -1 1 336.793 2.171 20 0 EEADMM C[C@H]1C[C@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824883642 608195557 /nfs/dbraw/zinc/19/55/57/608195557.db2.gz IFTIIAWWZXWYQT-WDEREUQCSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@H]1C[C@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824883642 608195558 /nfs/dbraw/zinc/19/55/58/608195558.db2.gz IFTIIAWWZXWYQT-WDEREUQCSA-N -1 1 325.376 2.037 20 0 EEADMM COc1cc(CNc2ccc(-c3nnn[n-]3)nn2)ccc1OC(C)C ZINC000826179215 608396529 /nfs/dbraw/zinc/39/65/29/608396529.db2.gz DVVSDYQNTVNMAH-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1cc(CNc2ccc(-c3nn[n-]n3)nn2)ccc1OC(C)C ZINC000826179215 608396530 /nfs/dbraw/zinc/39/65/30/608396530.db2.gz DVVSDYQNTVNMAH-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582418 608427779 /nfs/dbraw/zinc/42/77/79/608427779.db2.gz KTQSPXPPQHCAJZ-KBPBESRZSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582418 608427780 /nfs/dbraw/zinc/42/77/80/608427780.db2.gz KTQSPXPPQHCAJZ-KBPBESRZSA-N -1 1 343.435 2.221 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000826280691 608541329 /nfs/dbraw/zinc/54/13/29/608541329.db2.gz MFRSMTXQHQUWSJ-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2ccc(F)c(F)c21 ZINC000826472713 608850902 /nfs/dbraw/zinc/85/09/02/608850902.db2.gz UZKBMDOSRWUQAY-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2ccc(F)c(F)c21 ZINC000826472713 608850903 /nfs/dbraw/zinc/85/09/03/608850903.db2.gz UZKBMDOSRWUQAY-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824235109 609235328 /nfs/dbraw/zinc/23/53/28/609235328.db2.gz CBAMBODEMCNQGF-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824235109 609235330 /nfs/dbraw/zinc/23/53/30/609235330.db2.gz CBAMBODEMCNQGF-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM Cn1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826363505 609320473 /nfs/dbraw/zinc/32/04/73/609320473.db2.gz PMEOWLRWHMZURP-UHFFFAOYSA-N -1 1 338.350 2.142 20 0 EEADMM Fc1cccc(-n2ccc(NCc3cccnc3)n2)c1-c1nn[n-]n1 ZINC000826376551 609320597 /nfs/dbraw/zinc/32/05/97/609320597.db2.gz IUUCQJBARHXYDK-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM Cc1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)on1 ZINC000092077256 674605797 /nfs/dbraw/zinc/60/57/97/674605797.db2.gz PWTMLAXTJHJGIS-UHFFFAOYSA-N -1 1 335.791 2.300 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2cc(F)ccc2F)C1 ZINC000969547113 675095857 /nfs/dbraw/zinc/09/58/57/675095857.db2.gz YJYVJTLGAKELMZ-NSHDSACASA-N -1 1 347.365 2.316 20 0 EEADMM CC(C)(C)C1CCC(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC000970629518 676039677 /nfs/dbraw/zinc/03/96/77/676039677.db2.gz SCWYZXMPUPUUSR-JXQTWKCFSA-N -1 1 349.479 2.053 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020701682 675425834 /nfs/dbraw/zinc/42/58/34/675425834.db2.gz UHIDHNLTEQDJPT-ZFWWWQNUSA-N -1 1 347.459 2.438 20 0 EEADMM C[C@H]1CN(C(=O)CC2(C)CC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020773680 675486313 /nfs/dbraw/zinc/48/63/13/675486313.db2.gz TWHMKVGGPSRZHN-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCOc2ccccc2C1 ZINC000081563212 675486964 /nfs/dbraw/zinc/48/69/64/675486964.db2.gz IJZXVKMPMXERGN-UHFFFAOYSA-N -1 1 327.384 2.237 20 0 EEADMM Cc1nc(CN2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C)cs1 ZINC000947234964 675567158 /nfs/dbraw/zinc/56/71/58/675567158.db2.gz FDSKWINDRYOXCV-YPMHNXCESA-N -1 1 346.456 2.335 20 0 EEADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1 ZINC000160707522 676420078 /nfs/dbraw/zinc/42/00/78/676420078.db2.gz DLANNCKKRNRRAW-ZIAGYGMSSA-N -1 1 331.441 2.314 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cnc3n2CCOC3)CC1 ZINC000891547776 676693406 /nfs/dbraw/zinc/69/34/06/676693406.db2.gz LGSYGPIUIVPGGN-UHFFFAOYSA-N -1 1 341.411 2.214 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1scc2c1OCCO2 ZINC000891615042 676721149 /nfs/dbraw/zinc/72/11/49/676721149.db2.gz PFROLWHABPYONV-UHFFFAOYSA-N -1 1 333.369 2.146 20 0 EEADMM O=C(Cc1ccc2c(c1)CCO2)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891626101 676734546 /nfs/dbraw/zinc/73/45/46/676734546.db2.gz LJITWAIVBXWBHB-UHFFFAOYSA-N -1 1 325.368 2.177 20 0 EEADMM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891627691 676735536 /nfs/dbraw/zinc/73/55/36/676735536.db2.gz 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O=C([O-])c1cc2n(n1)CCC[C@H]2Nc1ccncc1C(F)(F)F ZINC001608868089 1351782300 /nfs/dbraw/zinc/78/23/00/1351782300.db2.gz XJWXKAAJVPRBBD-SNVBAGLBSA-N -1 1 326.278 2.364 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)o1 ZINC001608873936 1351783622 /nfs/dbraw/zinc/78/36/22/1351783622.db2.gz BWPAWMOLILRFER-UHFFFAOYSA-N -1 1 338.429 2.069 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c[nH]c3ccccc3c1=O)CC2 ZINC001608923085 1351795175 /nfs/dbraw/zinc/79/51/75/1351795175.db2.gz URWJWUKRVLPMBR-UHFFFAOYSA-N -1 1 348.358 2.425 20 0 EEADMM C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320044354 1332815388 /nfs/dbraw/zinc/81/53/88/1332815388.db2.gz YPWBBQQXZVVXAE-WRWORJQWSA-N -1 1 325.217 2.234 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC001608984452 1351807951 /nfs/dbraw/zinc/80/79/51/1351807951.db2.gz HQYZQRYSVHPNQG-UHFFFAOYSA-N -1 1 330.384 2.190 20 0 EEADMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC001609027578 1351819078 /nfs/dbraw/zinc/81/90/78/1351819078.db2.gz GKCZFMIENNJBTH-CYBMUJFWSA-N -1 1 345.252 2.181 20 0 EEADMM CC(C)(C)c1ccc(OCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001609080959 1351833677 /nfs/dbraw/zinc/83/36/77/1351833677.db2.gz KJARVBFHACOMOW-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccc(OCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001609080959 1351833681 /nfs/dbraw/zinc/83/36/81/1351833681.db2.gz KJARVBFHACOMOW-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2ccc(-c3nnn[n-]3)s2)CC12CCOCC2 ZINC001609091360 1351838826 /nfs/dbraw/zinc/83/88/26/1351838826.db2.gz JPGCZNKBLRIRMY-ZDUSSCGKSA-N -1 1 347.444 2.205 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2ccc(-c3nn[n-]n3)s2)CC12CCOCC2 ZINC001609091360 1351838829 /nfs/dbraw/zinc/83/88/29/1351838829.db2.gz JPGCZNKBLRIRMY-ZDUSSCGKSA-N -1 1 347.444 2.205 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C[C@H]1F ZINC001609168947 1351875204 /nfs/dbraw/zinc/87/52/04/1351875204.db2.gz RXAVUKLPKRRISR-VXNVDRBHSA-N -1 1 330.289 2.465 20 0 EEADMM C[C@@H]1CCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C[C@H]1F ZINC001609168947 1351875208 /nfs/dbraw/zinc/87/52/08/1351875208.db2.gz RXAVUKLPKRRISR-VXNVDRBHSA-N -1 1 330.289 2.465 20 0 EEADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609177598 1351878093 /nfs/dbraw/zinc/87/80/93/1351878093.db2.gz ZGNWBOFMYOWMAQ-OIBJUYFYSA-N -1 1 333.339 2.080 20 0 EEADMM CC[C@H](C)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609185545 1351880113 /nfs/dbraw/zinc/88/01/13/1351880113.db2.gz JRIUFPNIKIEVDB-XVKPBYJWSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@H](C)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609185545 1351880116 /nfs/dbraw/zinc/88/01/16/1351880116.db2.gz JRIUFPNIKIEVDB-XVKPBYJWSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@@H](C)C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC001609186283 1351881079 /nfs/dbraw/zinc/88/10/79/1351881079.db2.gz WXHKDGXNOCTPCU-RNFRBKRXSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@@H](C)C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC001609186283 1351881080 /nfs/dbraw/zinc/88/10/80/1351881080.db2.gz WXHKDGXNOCTPCU-RNFRBKRXSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)[C@H]1CC1(C)C ZINC001609192843 1351884569 /nfs/dbraw/zinc/88/45/69/1351884569.db2.gz SIVHOJXVUPVZKW-ZJUUUORDSA-N -1 1 334.811 2.470 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609196125 1351885530 /nfs/dbraw/zinc/88/55/30/1351885530.db2.gz SOJGPIUNZGLVDN-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609196125 1351885536 /nfs/dbraw/zinc/88/55/36/1351885536.db2.gz SOJGPIUNZGLVDN-OAHLLOKOSA-N -1 1 337.387 2.270 20 0 EEADMM CCSCc1ccccc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001609248663 1351908081 /nfs/dbraw/zinc/90/80/81/1351908081.db2.gz MLRVEFBKFDOQHR-UHFFFAOYSA-N -1 1 343.416 2.106 20 0 EEADMM CCSCc1ccccc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001609248663 1351908085 /nfs/dbraw/zinc/90/80/85/1351908085.db2.gz MLRVEFBKFDOQHR-UHFFFAOYSA-N -1 1 343.416 2.106 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nnc(-c3cccnc3)o2)o1 ZINC001328108719 1334398377 /nfs/dbraw/zinc/39/83/77/1334398377.db2.gz JBFPZWPWKBTMGG-UHFFFAOYSA-N -1 1 348.384 2.468 20 0 EEADMM CN(CCC(C)(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001609274565 1351917872 /nfs/dbraw/zinc/91/78/72/1351917872.db2.gz VEWZSULMOGSANV-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM COC1(C(F)(F)F)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001609312348 1351928592 /nfs/dbraw/zinc/92/85/92/1351928592.db2.gz CKXDDXMNDLJCOJ-UHFFFAOYSA-N -1 1 348.354 2.179 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC001609391313 1351956989 /nfs/dbraw/zinc/95/69/89/1351956989.db2.gz DHPYJHPMSWYTMB-IUCAKERBSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C(F)(F)F)CC[C@@H]2C)n1 ZINC001609391313 1351956991 /nfs/dbraw/zinc/95/69/91/1351956991.db2.gz DHPYJHPMSWYTMB-IUCAKERBSA-N -1 1 327.314 2.132 20 0 EEADMM Cc1ccccc1[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001609436058 1351975964 /nfs/dbraw/zinc/97/59/64/1351975964.db2.gz TWTFMJNLQGIMQX-CQSZACIVSA-N -1 1 342.428 2.205 20 0 EEADMM Cc1ccccc1[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001609436058 1351975968 /nfs/dbraw/zinc/97/59/68/1351975968.db2.gz TWTFMJNLQGIMQX-CQSZACIVSA-N -1 1 342.428 2.205 20 0 EEADMM Cc1nsc(NC(=O)CCc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001609465311 1351987938 /nfs/dbraw/zinc/98/79/38/1351987938.db2.gz PWKYOIBGBBALOG-UHFFFAOYSA-N -1 1 332.364 2.342 20 0 EEADMM Cc1nsc(NC(=O)CCc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001609465311 1351987941 /nfs/dbraw/zinc/98/79/41/1351987941.db2.gz PWKYOIBGBBALOG-UHFFFAOYSA-N -1 1 332.364 2.342 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnc(OC(C)C)c1 ZINC001609468503 1351989109 /nfs/dbraw/zinc/98/91/09/1351989109.db2.gz XBYLBRXNVUHOCE-UHFFFAOYSA-N -1 1 328.332 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnc(OC(C)C)c1 ZINC001609468503 1351989111 /nfs/dbraw/zinc/98/91/11/1351989111.db2.gz XBYLBRXNVUHOCE-UHFFFAOYSA-N -1 1 328.332 2.203 20 0 EEADMM Fc1cccc(OCc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c1 ZINC001609492101 1351997904 /nfs/dbraw/zinc/99/79/04/1351997904.db2.gz DZNCDOJJQZYYPB-UHFFFAOYSA-N -1 1 328.263 2.228 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(c1cccnc1-c1nnn[n-]1)CC3 ZINC001609491063 1351997063 /nfs/dbraw/zinc/99/70/63/1351997063.db2.gz AFKMVSITQKIUQJ-UHFFFAOYSA-N -1 1 335.346 2.445 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(c1cccnc1-c1nn[n-]n1)CC3 ZINC001609491063 1351997066 /nfs/dbraw/zinc/99/70/66/1351997066.db2.gz AFKMVSITQKIUQJ-UHFFFAOYSA-N -1 1 335.346 2.445 20 0 EEADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC001609539438 1352010178 /nfs/dbraw/zinc/01/01/78/1352010178.db2.gz DFFTYLIRGMFKLO-UHFFFAOYSA-N -1 1 325.397 2.433 20 0 EEADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC001609539438 1352010182 /nfs/dbraw/zinc/01/01/82/1352010182.db2.gz DFFTYLIRGMFKLO-UHFFFAOYSA-N -1 1 325.397 2.433 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](C2CCCC2)C1 ZINC001609566882 1352018163 /nfs/dbraw/zinc/01/81/63/1352018163.db2.gz JFJRMXOWGRGFKQ-GFCCVEGCSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](C2CCCC2)C1 ZINC001609566882 1352018168 /nfs/dbraw/zinc/01/81/68/1352018168.db2.gz JFJRMXOWGRGFKQ-GFCCVEGCSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@](CNC(=O)[C@@H](N)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001609744659 1352074587 /nfs/dbraw/zinc/07/45/87/1352074587.db2.gz YUSWDIMXBGUYSO-MAUKXSAKSA-N -1 1 346.814 2.499 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(CN2C[C@@H](c3cccc(F)c3)CC2=O)C1 ZINC001609811300 1352091089 /nfs/dbraw/zinc/09/10/89/1352091089.db2.gz NZCNKUXVCPOKQC-KSSFIOAISA-N -1 1 334.391 2.286 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN[C@@H](c2cnn(C)c2)c2ccccc2)O1 ZINC001609829490 1352096026 /nfs/dbraw/zinc/09/60/26/1352096026.db2.gz LFJYYZVYQANLBT-DOTOQJQBSA-N -1 1 327.384 2.247 20 0 EEADMM C[C@@H]1C[C@@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)N1c1ccccc1 ZINC001609844443 1352099507 /nfs/dbraw/zinc/09/95/07/1352099507.db2.gz KLAAJUAXXPDBDW-IUODEOHRSA-N -1 1 327.384 2.007 20 0 EEADMM COc1cc(Br)ccc1CCCOCc1nn[n-]n1 ZINC001339182237 1336971611 /nfs/dbraw/zinc/97/16/11/1336971611.db2.gz DLNKMJIMGOXQLT-UHFFFAOYSA-N -1 1 327.182 2.120 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCO[C@H]1CCCCO1 ZINC001609874701 1352108867 /nfs/dbraw/zinc/10/88/67/1352108867.db2.gz JPMKZQJUBYGORZ-YJBOKZPZSA-N -1 1 348.443 2.439 20 0 EEADMM CC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1OCC(=O)NC ZINC001609929810 1352122324 /nfs/dbraw/zinc/12/23/24/1352122324.db2.gz AKGRKECIPJAVSY-CQSZACIVSA-N -1 1 346.383 2.344 20 0 EEADMM CSCC1CCC(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)CC1 ZINC001348695213 1337569840 /nfs/dbraw/zinc/56/98/40/1337569840.db2.gz FJCSSMJFPDOALT-UHFFFAOYSA-N -1 1 327.475 2.431 20 0 EEADMM CCOc1cc(NC2CCN(Cc3cc(C(=O)[O-])co3)CC2)ncn1 ZINC001610040894 1352148121 /nfs/dbraw/zinc/14/81/21/1352148121.db2.gz IUORLXAQDLGHMD-UHFFFAOYSA-N -1 1 346.387 2.243 20 0 EEADMM CCc1cccc(CC)c1NC(=O)[C@@H](C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001610066810 1352154532 /nfs/dbraw/zinc/15/45/32/1352154532.db2.gz ADDJRNDLWLGRQR-FWYOQMDTSA-N -1 1 330.428 2.401 20 0 EEADMM O=C([N-]OC[C@H]1CCOC1)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001351898021 1337863832 /nfs/dbraw/zinc/86/38/32/1337863832.db2.gz JRUBJCJDIMFFGJ-RDJZCZTQSA-N -1 1 336.407 2.265 20 0 EEADMM COC(=O)[C@@H](C)CN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC001610150413 1352173462 /nfs/dbraw/zinc/17/34/62/1352173462.db2.gz ILVDBSJLZACXKS-VIFPVBQESA-N -1 1 344.205 2.388 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(C)=O)c1 ZINC001610288639 1352200351 /nfs/dbraw/zinc/20/03/51/1352200351.db2.gz VASYSNCEOXHTJL-UHFFFAOYSA-N -1 1 349.364 2.397 20 0 EEADMM COc1ccc(-c2noc(CNC3(CC(=O)[O-])CCC3)n2)c(OC)c1 ZINC001610308984 1352203240 /nfs/dbraw/zinc/20/32/40/1352203240.db2.gz AKVFQPGWAZDUMD-UHFFFAOYSA-N -1 1 347.371 2.241 20 0 EEADMM COc1ccc(CN(CN2C[C@@H](C(=O)[O-])OC2=O)[C@@H](C)C2CC2)cc1 ZINC001610330394 1352206621 /nfs/dbraw/zinc/20/66/21/1352206621.db2.gz KSKTVILDXURCSB-LRDDRELGSA-N -1 1 348.399 2.159 20 0 EEADMM COc1ccc(Cn2nc(C)c(CN[C@H](CF)C(=O)[O-])c2C)cc1 ZINC001610337641 1352207600 /nfs/dbraw/zinc/20/76/00/1352207600.db2.gz CECBWDNGTJTEQN-MRXNPFEDSA-N -1 1 335.379 2.069 20 0 EEADMM CCO/C=C\[C@](O)(CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000848187431 1338564327 /nfs/dbraw/zinc/56/43/27/1338564327.db2.gz ZVVBNSQGJIGIIX-SZZPACECSA-N -1 1 337.269 2.105 20 0 EEADMM CCO/C=C/[C@](O)(CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000848187430 1338564572 /nfs/dbraw/zinc/56/45/72/1338564572.db2.gz ZVVBNSQGJIGIIX-GFUIURDCSA-N -1 1 337.269 2.105 20 0 EEADMM COc1ccc(Cn2nc(C)c(CN[C@@H](CF)C(=O)[O-])c2C)cc1 ZINC001610337640 1352207807 /nfs/dbraw/zinc/20/78/07/1352207807.db2.gz CECBWDNGTJTEQN-INIZCTEOSA-N -1 1 335.379 2.069 20 0 EEADMM Cc1nc([C@H](C)NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC001610573372 1352247474 /nfs/dbraw/zinc/24/74/74/1352247474.db2.gz SPMGAIVVMHOGLR-UWVGGRQHSA-N -1 1 331.376 2.259 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC001610588134 1352249888 /nfs/dbraw/zinc/24/98/88/1352249888.db2.gz PIINJQOPIGRYCX-UHFFFAOYSA-N -1 1 331.372 2.009 20 0 EEADMM CCN(C(=O)C[C@H](C)C1CC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428646316 1339615128 /nfs/dbraw/zinc/61/51/28/1339615128.db2.gz WSMLEWIMFUXGMR-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(C(=O)C[C@@H](C)C1CC1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428646312 1339615201 /nfs/dbraw/zinc/61/52/01/1339615201.db2.gz WSMLEWIMFUXGMR-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM O=C([O-])CNC(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC001610783554 1352274068 /nfs/dbraw/zinc/27/40/68/1352274068.db2.gz RIDAZYRBGNGSGC-OAHLLOKOSA-N -1 1 328.368 2.112 20 0 EEADMM C[C@H](C(=O)N(C)c1nn[n-]n1)c1cccc(C(=O)c2ccccc2)c1 ZINC001617642495 1352343214 /nfs/dbraw/zinc/34/32/14/1352343214.db2.gz RFPRCOVONCCRPH-LBPRGKRZSA-N -1 1 335.367 2.197 20 0 EEADMM CCCC[C@H](C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1)C(C)C ZINC001432403841 1341280923 /nfs/dbraw/zinc/28/09/23/1341280923.db2.gz CSUNUCLAENJAJB-HNNXBMFYSA-N -1 1 347.459 2.438 20 0 EEADMM CCC1(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CCCC2)CC1 ZINC001432509408 1341310951 /nfs/dbraw/zinc/31/09/51/1341310951.db2.gz OOQHSJJYWOXYPS-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NCC[C@H]1CCCCN1C(=O)c1ncccc1[O-])C1CCCC1 ZINC001433039593 1341474393 /nfs/dbraw/zinc/47/43/93/1341474393.db2.gz NMNVRNHUFSUZIF-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CSc1nc(CNC(=O)C2=Cc3cc(F)ccc3OC2)cc(=O)[n-]1 ZINC001434121489 1341769287 /nfs/dbraw/zinc/76/92/87/1341769287.db2.gz KJVGVBFXGQUZPZ-UHFFFAOYSA-N -1 1 347.371 2.135 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@H]3c3ccc(F)cc3)ccnc1-2 ZINC001434725524 1341928155 /nfs/dbraw/zinc/92/81/55/1341928155.db2.gz MLRIBPIETIDIBV-HNNXBMFYSA-N -1 1 325.347 2.460 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H]1SC ZINC001578383586 1344271077 /nfs/dbraw/zinc/27/10/77/1344271077.db2.gz ZXINJAZEGDCGTF-LNLATYFQSA-N -1 1 340.840 2.236 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H]1SC ZINC001578383586 1344271082 /nfs/dbraw/zinc/27/10/82/1344271082.db2.gz ZXINJAZEGDCGTF-LNLATYFQSA-N -1 1 340.840 2.236 20 0 EEADMM CCn1cc(Cl)c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001578759068 1344301007 /nfs/dbraw/zinc/30/10/07/1344301007.db2.gz FAUIBPLOZALTSH-UHFFFAOYSA-N -1 1 335.730 2.128 20 0 EEADMM CCn1cc(Cl)c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001578759068 1344301011 /nfs/dbraw/zinc/30/10/11/1344301011.db2.gz FAUIBPLOZALTSH-UHFFFAOYSA-N -1 1 335.730 2.128 20 0 EEADMM CN(Cc1ccoc1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001579261582 1344360081 /nfs/dbraw/zinc/36/00/81/1344360081.db2.gz WRJJYOGHOQBWTL-UHFFFAOYSA-N -1 1 339.768 2.234 20 0 EEADMM COC(=O)c1ccc(N2C[C@@H](C)c3ccccc32)c(-c2nnn[n-]2)n1 ZINC001579482755 1344388354 /nfs/dbraw/zinc/38/83/54/1344388354.db2.gz OUGVITVLKVLNEH-SNVBAGLBSA-N -1 1 336.355 2.304 20 0 EEADMM COC(=O)c1ccc(N2C[C@@H](C)c3ccccc32)c(-c2nn[n-]n2)n1 ZINC001579482755 1344388357 /nfs/dbraw/zinc/38/83/57/1344388357.db2.gz OUGVITVLKVLNEH-SNVBAGLBSA-N -1 1 336.355 2.304 20 0 EEADMM COc1ccc(F)cc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001580034833 1344452441 /nfs/dbraw/zinc/45/24/41/1344452441.db2.gz VCLOVDZPHVCGLO-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccc(F)cc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001580034833 1344452444 /nfs/dbraw/zinc/45/24/44/1344452444.db2.gz VCLOVDZPHVCGLO-UHFFFAOYSA-N -1 1 347.375 2.048 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580083529 1344468855 /nfs/dbraw/zinc/46/88/55/1344468855.db2.gz OAXLSRLTPADNHT-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM COc1ncc(NC(=O)CCc2ccccc2C)cc1-c1nn[n-]n1 ZINC001580133172 1344477972 /nfs/dbraw/zinc/47/79/72/1344477972.db2.gz IRHIVFYREYEOJC-UHFFFAOYSA-N -1 1 338.371 2.150 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC001580604015 1344541988 /nfs/dbraw/zinc/54/19/88/1344541988.db2.gz ZDHILNHCVQAJJZ-VXGBXAGGSA-N -1 1 344.419 2.220 20 0 EEADMM Cc1ccccc1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001581260660 1344608405 /nfs/dbraw/zinc/60/84/05/1344608405.db2.gz XHRVBDIUSDIXIG-UHFFFAOYSA-N -1 1 326.385 2.301 20 0 EEADMM Cc1ccccc1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001581260660 1344608407 /nfs/dbraw/zinc/60/84/07/1344608407.db2.gz XHRVBDIUSDIXIG-UHFFFAOYSA-N -1 1 326.385 2.301 20 0 EEADMM Cc1nsc(NC[C@@H](C)N(C)C(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581707208 1344656155 /nfs/dbraw/zinc/65/61/55/1344656155.db2.gz JHAICAPYENMJSL-SECBINFHSA-N -1 1 349.464 2.081 20 0 EEADMM O=C(Nc1c2nsnc2ccc1Cl)c1coc(-c2nnn[n-]2)c1 ZINC001582631892 1344771665 /nfs/dbraw/zinc/77/16/65/1344771665.db2.gz QNFXVOAXGFUBPY-UHFFFAOYSA-N -1 1 347.747 2.370 20 0 EEADMM O=C(Nc1c2nsnc2ccc1Cl)c1coc(-c2nn[n-]n2)c1 ZINC001582631892 1344771668 /nfs/dbraw/zinc/77/16/68/1344771668.db2.gz QNFXVOAXGFUBPY-UHFFFAOYSA-N -1 1 347.747 2.370 20 0 EEADMM O=C(Nc1cc(F)ccc1NC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001582635625 1344773063 /nfs/dbraw/zinc/77/30/63/1344773063.db2.gz NGUMUSDBZGSPMQ-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(Nc1cc(F)ccc1NC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001582635625 1344773067 /nfs/dbraw/zinc/77/30/67/1344773067.db2.gz NGUMUSDBZGSPMQ-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3C[C@H]4CCC[C@@H]4O3)c2-c2nn[n-]n2)cc1 ZINC001582817261 1344797197 /nfs/dbraw/zinc/79/71/97/1344797197.db2.gz BKCPZEYIAAXPEJ-RDBSUJKOSA-N -1 1 337.387 2.083 20 0 EEADMM CC(=O)Nc1ccc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1 ZINC001588878345 1348940357 /nfs/dbraw/zinc/94/03/57/1348940357.db2.gz FMOVXANPUKFOOR-UHFFFAOYSA-N -1 1 336.359 2.236 20 0 EEADMM CC(=O)Nc1ccc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1 ZINC001588878345 1348940362 /nfs/dbraw/zinc/94/03/62/1348940362.db2.gz FMOVXANPUKFOOR-UHFFFAOYSA-N -1 1 336.359 2.236 20 0 EEADMM CC(=O)Oc1ccc(CSc2cccnc2-c2nnn[n-]2)cc1 ZINC001588888196 1348941530 /nfs/dbraw/zinc/94/15/30/1348941530.db2.gz LLAKTKWTQFTEDR-UHFFFAOYSA-N -1 1 327.369 2.479 20 0 EEADMM CC(=O)Oc1ccc(CSc2cccnc2-c2nn[n-]n2)cc1 ZINC001588888196 1348941533 /nfs/dbraw/zinc/94/15/33/1348941533.db2.gz LLAKTKWTQFTEDR-UHFFFAOYSA-N -1 1 327.369 2.479 20 0 EEADMM CC(C)(C)C(=O)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589074493 1348956507 /nfs/dbraw/zinc/95/65/07/1348956507.db2.gz GEFMEMSMKJHUPB-UHFFFAOYSA-N -1 1 331.376 2.296 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589098624 1348958514 /nfs/dbraw/zinc/95/85/14/1348958514.db2.gz CLJMUFDKIYIWLA-NXEZZACHSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589098624 1348958517 /nfs/dbraw/zinc/95/85/17/1348958517.db2.gz CLJMUFDKIYIWLA-NXEZZACHSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589127409 1348963069 /nfs/dbraw/zinc/96/30/69/1348963069.db2.gz ONBJRABACZKUMZ-UHFFFAOYSA-N -1 1 342.325 2.447 20 0 EEADMM CC(C)(C)SCCCOC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001589209159 1348971017 /nfs/dbraw/zinc/97/10/17/1348971017.db2.gz VFQJXRCJOKRJSP-UHFFFAOYSA-N -1 1 335.433 2.269 20 0 EEADMM CC(C)(C)SCCCOC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001589209159 1348971022 /nfs/dbraw/zinc/97/10/22/1348971022.db2.gz VFQJXRCJOKRJSP-UHFFFAOYSA-N -1 1 335.433 2.269 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589489933 1348995434 /nfs/dbraw/zinc/99/54/34/1348995434.db2.gz DXMMFVUXUPDMBG-HWPZZCPQSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589489933 1348995436 /nfs/dbraw/zinc/99/54/36/1348995436.db2.gz DXMMFVUXUPDMBG-HWPZZCPQSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@]1(CO)CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001589495327 1348996378 /nfs/dbraw/zinc/99/63/78/1348996378.db2.gz XAQXFSQTJPXTQH-CYBMUJFWSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)[C@]1(CO)CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001589495327 1348996382 /nfs/dbraw/zinc/99/63/82/1348996382.db2.gz XAQXFSQTJPXTQH-CYBMUJFWSA-N -1 1 342.856 2.212 20 0 EEADMM CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)cn1 ZINC001589612866 1349011222 /nfs/dbraw/zinc/01/12/22/1349011222.db2.gz KCPGBSKSEUKOAT-UHFFFAOYSA-N -1 1 330.323 2.297 20 0 EEADMM CC(C)CSCCNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589653368 1349015501 /nfs/dbraw/zinc/01/55/01/1349015501.db2.gz KCGINRVSCLMJTE-UHFFFAOYSA-N -1 1 341.387 2.264 20 0 EEADMM CC(C)CSCCNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589653368 1349015506 /nfs/dbraw/zinc/01/55/06/1349015506.db2.gz KCGINRVSCLMJTE-UHFFFAOYSA-N -1 1 341.387 2.264 20 0 EEADMM CC(C)Oc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001589754170 1349030303 /nfs/dbraw/zinc/03/03/03/1349030303.db2.gz OHAOZWBQIVAYSK-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM CC(C)Oc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001589754170 1349030310 /nfs/dbraw/zinc/03/03/10/1349030310.db2.gz OHAOZWBQIVAYSK-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM CC(C)c1nnc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)n1C ZINC001589778296 1349037644 /nfs/dbraw/zinc/03/76/44/1349037644.db2.gz FQURCNSJHYMUIV-UHFFFAOYSA-N -1 1 342.841 2.380 20 0 EEADMM CC(C)n1cnc2ccc(CNc3ncncc3-c3nn[n-]n3)cc21 ZINC001589783568 1349039934 /nfs/dbraw/zinc/03/99/34/1349039934.db2.gz DXSOYDAXQPIPKS-UHFFFAOYSA-N -1 1 335.375 2.199 20 0 EEADMM C[C@@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001589794624 1349044900 /nfs/dbraw/zinc/04/49/00/1349044900.db2.gz PIBOALLMDRFZLI-NKWVEPMBSA-N -1 1 342.812 2.120 20 0 EEADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1c(F)cncc1F ZINC001589946001 1349072961 /nfs/dbraw/zinc/07/29/61/1349072961.db2.gz GNRLAXDVVSDVBC-SSDOTTSWSA-N -1 1 348.288 2.170 20 0 EEADMM C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1c(F)cncc1F ZINC001589946001 1349072966 /nfs/dbraw/zinc/07/29/66/1349072966.db2.gz GNRLAXDVVSDVBC-SSDOTTSWSA-N -1 1 348.288 2.170 20 0 EEADMM C[C@H](c1cccnc1)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590051458 1349131665 /nfs/dbraw/zinc/13/16/65/1349131665.db2.gz SJNKMKQHXQVAFX-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1cccnc1)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590051458 1349131669 /nfs/dbraw/zinc/13/16/69/1349131669.db2.gz SJNKMKQHXQVAFX-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001590166092 1349182560 /nfs/dbraw/zinc/18/25/60/1349182560.db2.gz TZIOVIAILZFPCW-IUIKQTSFSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001590166092 1349182567 /nfs/dbraw/zinc/18/25/67/1349182567.db2.gz TZIOVIAILZFPCW-IUIKQTSFSA-N -1 1 335.367 2.355 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)[C@@H](C)O1 ZINC001590195203 1349193924 /nfs/dbraw/zinc/19/39/24/1349193924.db2.gz YNSVMGQIPVZIOT-MXWKQRLJSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)[C@@H](C)O1 ZINC001590195203 1349193929 /nfs/dbraw/zinc/19/39/29/1349193929.db2.gz YNSVMGQIPVZIOT-MXWKQRLJSA-N -1 1 325.376 2.035 20 0 EEADMM C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590247532 1349224639 /nfs/dbraw/zinc/22/46/39/1349224639.db2.gz BUBDHAPOACQXGE-RNCFNFMXSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590247532 1349224652 /nfs/dbraw/zinc/22/46/52/1349224652.db2.gz BUBDHAPOACQXGE-RNCFNFMXSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590323855 1349263553 /nfs/dbraw/zinc/26/35/53/1349263553.db2.gz JAVXTZSDDYANAD-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590323855 1349263558 /nfs/dbraw/zinc/26/35/58/1349263558.db2.gz JAVXTZSDDYANAD-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM CC[C@H](C)c1ccc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)cc1 ZINC001590415672 1349314693 /nfs/dbraw/zinc/31/46/93/1349314693.db2.gz KIVWOWSCARVWDG-LBPRGKRZSA-N -1 1 337.383 2.425 20 0 EEADMM CC[C@H](CC(F)(F)F)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590423463 1349317901 /nfs/dbraw/zinc/31/79/01/1349317901.db2.gz YOBONHKLHHUBGJ-SSDOTTSWSA-N -1 1 344.297 2.187 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC001590460207 1349336482 /nfs/dbraw/zinc/33/64/82/1349336482.db2.gz YURSACAVZDZFTQ-ZDUSSCGKSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC001590460207 1349336492 /nfs/dbraw/zinc/33/64/92/1349336492.db2.gz YURSACAVZDZFTQ-ZDUSSCGKSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001590483589 1349351334 /nfs/dbraw/zinc/35/13/34/1349351334.db2.gz ZBMRNDCYLGDKFS-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001590483589 1349351335 /nfs/dbraw/zinc/35/13/35/1349351335.db2.gz ZBMRNDCYLGDKFS-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590506685 1349358554 /nfs/dbraw/zinc/35/85/54/1349358554.db2.gz GOONUHVDMHKGLP-VHSXEESVSA-N -1 1 341.462 2.033 20 0 EEADMM CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590850322 1349405254 /nfs/dbraw/zinc/40/52/54/1349405254.db2.gz JIUSZLRJJAXJCN-NEPJUHHUSA-N -1 1 335.408 2.410 20 0 EEADMM CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590850322 1349405258 /nfs/dbraw/zinc/40/52/58/1349405258.db2.gz JIUSZLRJJAXJCN-NEPJUHHUSA-N -1 1 335.408 2.410 20 0 EEADMM CCc1nc(NCCc2ccc(F)c(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590922783 1349413020 /nfs/dbraw/zinc/41/30/20/1349413020.db2.gz ZDPNOGVLADMONQ-UHFFFAOYSA-N -1 1 331.330 2.152 20 0 EEADMM CCc1nc(NCCc2ccc(F)c(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590922783 1349413027 /nfs/dbraw/zinc/41/30/27/1349413027.db2.gz ZDPNOGVLADMONQ-UHFFFAOYSA-N -1 1 331.330 2.152 20 0 EEADMM CCc1nc(NCc2nc3c(s2)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001590922878 1349414981 /nfs/dbraw/zinc/41/49/81/1349414981.db2.gz VKQOESCPCKTOKP-UHFFFAOYSA-N -1 1 342.432 2.167 20 0 EEADMM CCc1nc(NCc2nc3c(s2)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001590922878 1349414983 /nfs/dbraw/zinc/41/49/83/1349414983.db2.gz VKQOESCPCKTOKP-UHFFFAOYSA-N -1 1 342.432 2.167 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591028762 1349430180 /nfs/dbraw/zinc/43/01/80/1349430180.db2.gz JLKDRUBKOVFHIT-UHFFFAOYSA-N -1 1 344.325 2.463 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591028762 1349430182 /nfs/dbraw/zinc/43/01/82/1349430182.db2.gz JLKDRUBKOVFHIT-UHFFFAOYSA-N -1 1 344.325 2.463 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001591035021 1349432779 /nfs/dbraw/zinc/43/27/79/1349432779.db2.gz YQIFIEBDGDWNQI-AWEZNQCLSA-N -1 1 336.403 2.064 20 0 EEADMM COC(=O)c1cc(C)ccc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591287902 1349456350 /nfs/dbraw/zinc/45/63/50/1349456350.db2.gz NMCPLZDEVPNLSA-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COC(=O)c1cc(C)ccc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591287902 1349456362 /nfs/dbraw/zinc/45/63/62/1349456362.db2.gz NMCPLZDEVPNLSA-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591336403 1349463798 /nfs/dbraw/zinc/46/37/98/1349463798.db2.gz QEZFKZRIUOWJAF-MEDUHNTESA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591336403 1349463802 /nfs/dbraw/zinc/46/38/02/1349463802.db2.gz QEZFKZRIUOWJAF-MEDUHNTESA-N -1 1 342.378 2.319 20 0 EEADMM COC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(OC)c1 ZINC001591382200 1349476166 /nfs/dbraw/zinc/47/61/66/1349476166.db2.gz FEQWYJTXMFXRHZ-AWEZNQCLSA-N -1 1 326.360 2.070 20 0 EEADMM COC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(OC)c1 ZINC001591382200 1349476170 /nfs/dbraw/zinc/47/61/70/1349476170.db2.gz FEQWYJTXMFXRHZ-AWEZNQCLSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591620435 1349516667 /nfs/dbraw/zinc/51/66/67/1349516667.db2.gz VIGVJWIDMAXQML-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591620435 1349516672 /nfs/dbraw/zinc/51/66/72/1349516672.db2.gz VIGVJWIDMAXQML-UHFFFAOYSA-N -1 1 344.327 2.142 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001591642082 1349520751 /nfs/dbraw/zinc/52/07/51/1349520751.db2.gz BJXRYBNVHSQYDE-UONOGXRCSA-N -1 1 340.339 2.315 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001591642082 1349520754 /nfs/dbraw/zinc/52/07/54/1349520754.db2.gz BJXRYBNVHSQYDE-UONOGXRCSA-N -1 1 340.339 2.315 20 0 EEADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)ccc2[nH]1 ZINC001592071090 1349588840 /nfs/dbraw/zinc/58/88/40/1349588840.db2.gz LDJSJPTVIYXSJY-UHFFFAOYSA-N -1 1 344.356 2.050 20 0 EEADMM Cc1[nH]nc(NC(=O)C2(c3cccc(F)c3)CCC2)c1-c1nn[n-]n1 ZINC001592328671 1349622365 /nfs/dbraw/zinc/62/23/65/1349622365.db2.gz XOMVRGMZFJCUTI-UHFFFAOYSA-N -1 1 341.350 2.098 20 0 EEADMM Cc1nn(C)c(NC(=O)C=C2CCC(C)(C)CC2)c1-c1nnn[n-]1 ZINC001592434438 1349631975 /nfs/dbraw/zinc/63/19/75/1349631975.db2.gz ULEZPBLMLHKADC-UHFFFAOYSA-N -1 1 329.408 2.374 20 0 EEADMM Cc1nn(C)c(NC(=O)C=C2CCC(C)(C)CC2)c1-c1nn[n-]n1 ZINC001592434438 1349631976 /nfs/dbraw/zinc/63/19/76/1349631976.db2.gz ULEZPBLMLHKADC-UHFFFAOYSA-N -1 1 329.408 2.374 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC001592468408 1349634740 /nfs/dbraw/zinc/63/47/40/1349634740.db2.gz KTCDILJOTLBJCE-RXMQYKEDSA-N -1 1 334.327 2.183 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC001592468408 1349634741 /nfs/dbraw/zinc/63/47/41/1349634741.db2.gz KTCDILJOTLBJCE-RXMQYKEDSA-N -1 1 334.327 2.183 20 0 EEADMM Cc1nsc(N2CCO[C@H](c3ccsc3)C2)c1-c1nn[n-]n1 ZINC001592476338 1349635312 /nfs/dbraw/zinc/63/53/12/1349635312.db2.gz CVXJMCXXWOULRR-JTQLQIEISA-N -1 1 334.430 2.271 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1c(F)cc(F)cc1F ZINC001592502225 1349638047 /nfs/dbraw/zinc/63/80/47/1349638047.db2.gz ZFNSYMDWJXJENI-UHFFFAOYSA-N -1 1 337.261 2.115 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1c(F)cc(F)cc1F ZINC001592502225 1349638048 /nfs/dbraw/zinc/63/80/48/1349638048.db2.gz ZFNSYMDWJXJENI-UHFFFAOYSA-N -1 1 337.261 2.115 20 0 EEADMM ClC1(Cl)C[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592524017 1349645590 /nfs/dbraw/zinc/64/55/90/1349645590.db2.gz LRTOWUCTKCWOPJ-ZETCQYMHSA-N -1 1 326.191 2.140 20 0 EEADMM ClC1(Cl)C[C@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592524017 1349645609 /nfs/dbraw/zinc/64/56/09/1349645609.db2.gz LRTOWUCTKCWOPJ-ZETCQYMHSA-N -1 1 326.191 2.140 20 0 EEADMM Clc1nsc(NC[C@@H]2CC3(CCC3)CO2)c1-c1nnn[n-]1 ZINC001592541843 1349654094 /nfs/dbraw/zinc/65/40/94/1349654094.db2.gz QVICYKVRWKMZMC-ZETCQYMHSA-N -1 1 326.813 2.348 20 0 EEADMM Clc1nsc(NC[C@@H]2CC3(CCC3)CO2)c1-c1nn[n-]n1 ZINC001592541843 1349654096 /nfs/dbraw/zinc/65/40/96/1349654096.db2.gz QVICYKVRWKMZMC-ZETCQYMHSA-N -1 1 326.813 2.348 20 0 EEADMM Cn1c(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)nc2ccccc21 ZINC001592552996 1349656746 /nfs/dbraw/zinc/65/67/46/1349656746.db2.gz YQVBGMAZHGTVDD-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1c(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)nc2ccccc21 ZINC001592552996 1349656751 /nfs/dbraw/zinc/65/67/51/1349656751.db2.gz YQVBGMAZHGTVDD-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM FC(F)(F)c1cccc(CCCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592622069 1349676765 /nfs/dbraw/zinc/67/67/65/1349676765.db2.gz MTDFNOUZKPGFPK-UHFFFAOYSA-N -1 1 349.320 2.142 20 0 EEADMM F[C@@H]1COc2ccccc2[C@@H]1NCc1csc(-c2nn[n-]n2)c1 ZINC001592631930 1349682297 /nfs/dbraw/zinc/68/22/97/1349682297.db2.gz KTSMPLZMUBHCEY-RISCZKNCSA-N -1 1 331.376 2.490 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1F ZINC001592647076 1349692468 /nfs/dbraw/zinc/69/24/68/1349692468.db2.gz IYUTZUDFHLWMAQ-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1F ZINC001592647076 1349692470 /nfs/dbraw/zinc/69/24/70/1349692470.db2.gz IYUTZUDFHLWMAQ-LLVKDONJSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1Br ZINC001592652363 1349696953 /nfs/dbraw/zinc/69/69/53/1349696953.db2.gz HMPLRSFJAMTOOD-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001592886081 1349722524 /nfs/dbraw/zinc/72/25/24/1349722524.db2.gz UDMHFSQKUFVOBX-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593016183 1349733836 /nfs/dbraw/zinc/73/38/36/1349733836.db2.gz UGDLKHKXCKPTEK-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593016183 1349733839 /nfs/dbraw/zinc/73/38/39/1349733839.db2.gz UGDLKHKXCKPTEK-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM O=C(NCCCOC1CCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593077070 1349737228 /nfs/dbraw/zinc/73/72/28/1349737228.db2.gz PQVAROFVUYFCSZ-UHFFFAOYSA-N -1 1 333.367 2.085 20 0 EEADMM O=C(NCCCOC1CCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593077070 1349737231 /nfs/dbraw/zinc/73/72/31/1349737231.db2.gz PQVAROFVUYFCSZ-UHFFFAOYSA-N -1 1 333.367 2.085 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593137488 1349740255 /nfs/dbraw/zinc/74/02/55/1349740255.db2.gz FZGBVROUROFELJ-OCCSQVGLSA-N -1 1 344.444 2.258 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(Cl)n[nH]c1C1CC1 ZINC001593202805 1349745561 /nfs/dbraw/zinc/74/55/61/1349745561.db2.gz OGELNVWVSUBFCV-UHFFFAOYSA-N -1 1 345.750 2.079 20 0 EEADMM O=C([N-]c1nc(-c2ccccc2)no1)c1cc(-c2nn[nH]n2)cs1 ZINC001593260451 1349754163 /nfs/dbraw/zinc/75/41/63/1349754163.db2.gz RSXNIHCIPONCHW-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1ncc2c(c1-c1nn[n-]n1)COCC2)C(F)=C1CCCC1 ZINC001593268826 1349756505 /nfs/dbraw/zinc/75/65/05/1349756505.db2.gz WBRHEDFNMPUZDD-UHFFFAOYSA-N -1 1 344.350 2.071 20 0 EEADMM O=C(OCC(Cl)(Cl)Cl)c1csc(-c2nnn[n-]2)c1 ZINC001593283339 1349762135 /nfs/dbraw/zinc/76/21/35/1349762135.db2.gz RGPATZNNBWKYJH-UHFFFAOYSA-N -1 1 327.580 2.455 20 0 EEADMM O=C(OCC(Cl)(Cl)Cl)c1csc(-c2nn[n-]n2)c1 ZINC001593283339 1349762139 /nfs/dbraw/zinc/76/21/39/1349762139.db2.gz RGPATZNNBWKYJH-UHFFFAOYSA-N -1 1 327.580 2.455 20 0 EEADMM O=C(OCCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593290659 1349767041 /nfs/dbraw/zinc/76/70/41/1349767041.db2.gz LZCSSQOZINCBSS-UHFFFAOYSA-N -1 1 334.719 2.349 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cccc2c1CCCC2 ZINC001593301111 1349772574 /nfs/dbraw/zinc/77/25/74/1349772574.db2.gz BQAXPTCPTRIXPE-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cccc2c1CCCC2 ZINC001593301111 1349772580 /nfs/dbraw/zinc/77/25/80/1349772580.db2.gz BQAXPTCPTRIXPE-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM O=C(c1cc(F)ccc1F)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001593328461 1349781416 /nfs/dbraw/zinc/78/14/16/1349781416.db2.gz OOCKXHLLVSBVQY-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1cc(F)ccc1F)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001593328461 1349781420 /nfs/dbraw/zinc/78/14/20/1349781420.db2.gz OOCKXHLLVSBVQY-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC2(CCCCO2)CC1 ZINC001593338065 1349783735 /nfs/dbraw/zinc/78/37/35/1349783735.db2.gz IZYFEKVFVZKCQK-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC2(CCCCO2)CC1 ZINC001593338065 1349783736 /nfs/dbraw/zinc/78/37/36/1349783736.db2.gz IZYFEKVFVZKCQK-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC2(CCSCC2)CC1 ZINC001593348998 1349788866 /nfs/dbraw/zinc/78/88/66/1349788866.db2.gz VCYBAKXPNVPVFX-UHFFFAOYSA-N -1 1 344.444 2.011 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC2(CCSCC2)CC1 ZINC001593348998 1349788870 /nfs/dbraw/zinc/78/88/70/1349788870.db2.gz VCYBAKXPNVPVFX-UHFFFAOYSA-N -1 1 344.444 2.011 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H]1CCC(=O)c2ccccc21 ZINC001593387465 1349796030 /nfs/dbraw/zinc/79/60/30/1349796030.db2.gz ILXINXIWCSOBTF-AWEZNQCLSA-N -1 1 349.350 2.065 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H]1CCC(=O)c2ccccc21 ZINC001593387465 1349796034 /nfs/dbraw/zinc/79/60/34/1349796034.db2.gz ILXINXIWCSOBTF-AWEZNQCLSA-N -1 1 349.350 2.065 20 0 EEADMM O[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]2CCCC[C@@H]12 ZINC001593518532 1349829115 /nfs/dbraw/zinc/82/91/15/1349829115.db2.gz AXHOAQVGRGHHNA-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593538977 1349835382 /nfs/dbraw/zinc/83/53/82/1349835382.db2.gz MHIUCZFRQVFLLT-DTWKUNHWSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@@H]1CCc2ccccc2[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593537584 1349835554 /nfs/dbraw/zinc/83/55/54/1349835554.db2.gz QMKUUCWJKDNOKM-ZJUUUORDSA-N -1 1 348.819 2.437 20 0 EEADMM c1sc(CSc2nnc(-c3ccncc3)o2)nc1-c1nnn[n-]1 ZINC001593544510 1349840133 /nfs/dbraw/zinc/84/01/33/1349840133.db2.gz HBZNJBHSVGSWOM-UHFFFAOYSA-N -1 1 344.385 2.061 20 0 EEADMM c1sc(CSc2nnc(-c3ccncc3)o2)nc1-c1nn[n-]n1 ZINC001593544510 1349840138 /nfs/dbraw/zinc/84/01/38/1349840138.db2.gz HBZNJBHSVGSWOM-UHFFFAOYSA-N -1 1 344.385 2.061 20 0 EEADMM c1ccc2c(c1)COC[C@@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593580295 1349860176 /nfs/dbraw/zinc/86/01/76/1349860176.db2.gz SCXGCTCBFNAGFY-AWEZNQCLSA-N -1 1 335.371 2.218 20 0 EEADMM c1ccc2c(c1)COC[C@@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593580295 1349860182 /nfs/dbraw/zinc/86/01/82/1349860182.db2.gz SCXGCTCBFNAGFY-AWEZNQCLSA-N -1 1 335.371 2.218 20 0 EEADMM c1cncc(COc2cccc(Nc3ncncc3-c3nn[n-]n3)c2)c1 ZINC001593588369 1349866478 /nfs/dbraw/zinc/86/64/78/1349866478.db2.gz XRFCZZXMKUHULH-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM Cc1cc(NC(=O)CN2CCC[C@@](C)(C(=O)[O-])C2)n(C(C)(C)C)n1 ZINC001600255162 1350003284 /nfs/dbraw/zinc/00/32/84/1350003284.db2.gz OBHXFTLKJFBPSS-QGZVFWFLSA-N -1 1 336.436 2.072 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@H]2CCN2C2CCCC2)C(=O)[O-])cc1 ZINC001600378901 1350034705 /nfs/dbraw/zinc/03/47/05/1350034705.db2.gz NYORGXMRIPSGJQ-IAGOWNOFSA-N -1 1 330.428 2.296 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)N2CCCC2)o1 ZINC001600380110 1350035140 /nfs/dbraw/zinc/03/51/40/1350035140.db2.gz TXOISUGQRDXFJU-ILXRZTDVSA-N -1 1 349.431 2.277 20 0 EEADMM Cc1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)c(C(=O)[O-])c1 ZINC001600448505 1350054369 /nfs/dbraw/zinc/05/43/69/1350054369.db2.gz RAGFEQCXLWTQLI-UHFFFAOYSA-N -1 1 331.372 2.020 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C[C@@H](C)O)C(C)C ZINC001600652191 1350108087 /nfs/dbraw/zinc/10/80/87/1350108087.db2.gz UUBOOHLJKIPEFV-MNOVXSKESA-N -1 1 328.434 2.173 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CCC[C@@H](OC(F)F)C1 ZINC001600783908 1350135606 /nfs/dbraw/zinc/13/56/06/1350135606.db2.gz FWTNFYZSYHAQAA-GFCCVEGCSA-N -1 1 331.363 2.178 20 0 EEADMM O=C([O-])c1ccc([C@@H](OC(=O)CCc2nc[nH]n2)C(F)(F)F)cc1 ZINC001601296373 1350251537 /nfs/dbraw/zinc/25/15/37/1350251537.db2.gz HQUCXPMLZFLOBI-GFCCVEGCSA-N -1 1 343.261 2.282 20 0 EEADMM O=C(CN1CCSC[C@@H]1C1CCC1)NC1(C(=O)[O-])CCCCC1 ZINC001601318869 1350255767 /nfs/dbraw/zinc/25/57/67/1350255767.db2.gz XGUPSVOZCKJNPF-CQSZACIVSA-N -1 1 340.489 2.108 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)N[C@H]1CCCc2cn[nH]c21)Cc1ccccc1 ZINC001601464936 1350289733 /nfs/dbraw/zinc/28/97/33/1350289733.db2.gz MLNSNXDQLIYTSV-CABCVRRESA-N -1 1 342.399 2.030 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cn(-c4ccccc4)nn3)[nH]c21 ZINC001601630445 1350323804 /nfs/dbraw/zinc/32/38/04/1350323804.db2.gz GMYOKUSBBNDHAT-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC001601638647 1350325267 /nfs/dbraw/zinc/32/52/67/1350325267.db2.gz SYVPURLJPWTSCE-STQMWFEESA-N -1 1 344.333 2.173 20 0 EEADMM O=C([O-])C12CCC(C(=O)Nc3cnn(-c4ccncc4)c3)(CC1)C2 ZINC001601732050 1350350538 /nfs/dbraw/zinc/35/05/38/1350350538.db2.gz NMQFFIPPVJOLNM-UHFFFAOYSA-N -1 1 326.356 2.241 20 0 EEADMM O=C([O-])/C=C\c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)o1 ZINC001601878432 1350387764 /nfs/dbraw/zinc/38/77/64/1350387764.db2.gz AMMVFRFCZPGDRK-QDZRJHCZSA-N -1 1 347.392 2.038 20 0 EEADMM O=C([O-])COc1ccccc1CN[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001602096068 1350436814 /nfs/dbraw/zinc/43/68/14/1350436814.db2.gz JEDCTUPFZDPAMT-OAHLLOKOSA-N -1 1 340.379 2.045 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCN(c2ccnc(F)c2)CC1 ZINC001602144122 1350449744 /nfs/dbraw/zinc/44/97/44/1350449744.db2.gz KROFKBIQVJGRRX-UHFFFAOYSA-N -1 1 329.375 2.170 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1(C(F)(F)F)CCCCC1 ZINC001602208445 1350466026 /nfs/dbraw/zinc/46/60/26/1350466026.db2.gz BTMZNFGNVVDLTE-JTQLQIEISA-N -1 1 333.310 2.034 20 0 EEADMM O=C([O-])[C@H]1CCCN(CN2CC[C@@H](CCc3ccccc3)C2=O)C1 ZINC001602212199 1350467281 /nfs/dbraw/zinc/46/72/81/1350467281.db2.gz JPMRWGXCJKKDCV-SJORKVTESA-N -1 1 330.428 2.222 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C[C@H](O)C[C@@H](O)c1ccccc1)CC2 ZINC001602421228 1350515539 /nfs/dbraw/zinc/51/55/39/1350515539.db2.gz YUNQZWABVIOVTQ-RTBURBONSA-N -1 1 341.407 2.228 20 0 EEADMM COc1cc2[n-]cc(C(=O)N[C@@H](C)c3ccc[nH]3)c(=O)c2c(OC)c1 ZINC001603085803 1350637600 /nfs/dbraw/zinc/63/76/00/1350637600.db2.gz KKALQXBRDFDGTL-JTQLQIEISA-N -1 1 341.367 2.364 20 0 EEADMM CC(C)(C)c1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)o1 ZINC001603116825 1350644155 /nfs/dbraw/zinc/64/41/55/1350644155.db2.gz FXTCLDWYVJDGRK-UHFFFAOYSA-N -1 1 340.387 2.011 20 0 EEADMM CC(C)(C)c1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)o1 ZINC001603116825 1350644160 /nfs/dbraw/zinc/64/41/60/1350644160.db2.gz FXTCLDWYVJDGRK-UHFFFAOYSA-N -1 1 340.387 2.011 20 0 EEADMM CC(C)(C)n1nnnc1CSc1cccc(F)c1-c1nn[n-]n1 ZINC001603135358 1350647689 /nfs/dbraw/zinc/64/76/89/1350647689.db2.gz MKANUJYDIBLCBF-UHFFFAOYSA-N -1 1 334.384 2.040 20 0 EEADMM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603211358 1350663271 /nfs/dbraw/zinc/66/32/71/1350663271.db2.gz PCKPSMNFBVGOKP-VIFPVBQESA-N -1 1 343.313 2.360 20 0 EEADMM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603211358 1350663275 /nfs/dbraw/zinc/66/32/75/1350663275.db2.gz PCKPSMNFBVGOKP-VIFPVBQESA-N -1 1 343.313 2.360 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001603241405 1350669320 /nfs/dbraw/zinc/66/93/20/1350669320.db2.gz RBUSLCLTLGNAGT-FZMZJTMJSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001603241405 1350669322 /nfs/dbraw/zinc/66/93/22/1350669322.db2.gz RBUSLCLTLGNAGT-FZMZJTMJSA-N -1 1 347.394 2.187 20 0 EEADMM CC(C)(C)OC(=O)N1CCCN(CCC(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC001603412282 1350701795 /nfs/dbraw/zinc/70/17/95/1350701795.db2.gz FNKNKLFQHXPESP-SNVBAGLBSA-N -1 1 340.342 2.335 20 0 EEADMM CC(C)c1ncsc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001603416209 1350702926 /nfs/dbraw/zinc/70/29/26/1350702926.db2.gz VTPRYQYUJNXCSV-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1ncsc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001603416209 1350702929 /nfs/dbraw/zinc/70/29/29/1350702929.db2.gz VTPRYQYUJNXCSV-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM C[C@H](CCO)C1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCC1 ZINC001603494997 1350712613 /nfs/dbraw/zinc/71/26/13/1350712613.db2.gz FVDXISMHMWVNCQ-LLVKDONJSA-N -1 1 343.435 2.135 20 0 EEADMM C[C@H](CCO)C1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCC1 ZINC001603494997 1350712614 /nfs/dbraw/zinc/71/26/14/1350712614.db2.gz FVDXISMHMWVNCQ-LLVKDONJSA-N -1 1 343.435 2.135 20 0 EEADMM CC(C)(NC(=O)c1ccc(CN2CCCC2)o1)c1cc(C(=O)[O-])on1 ZINC001603677187 1350740215 /nfs/dbraw/zinc/74/02/15/1350740215.db2.gz SDMBMNLNNVEANT-UHFFFAOYSA-N -1 1 347.371 2.227 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ncc(-c2ccccc2)o1 ZINC001603679423 1350741107 /nfs/dbraw/zinc/74/11/07/1350741107.db2.gz RLLNPEDVCYBDIY-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ncc(-c2ccccc2)o1 ZINC001603679423 1350741112 /nfs/dbraw/zinc/74/11/12/1350741112.db2.gz RLLNPEDVCYBDIY-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM Cc1cc(N2CCC(C)=C(Br)C2)cc(-c2nnn[n-]2)n1 ZINC001603824820 1350777272 /nfs/dbraw/zinc/77/72/72/1350777272.db2.gz FNFKQALBJOADEO-UHFFFAOYSA-N -1 1 335.209 2.449 20 0 EEADMM Cc1cc(N2CCC(C)=C(Br)C2)cc(-c2nn[n-]n2)n1 ZINC001603824820 1350777275 /nfs/dbraw/zinc/77/72/75/1350777275.db2.gz FNFKQALBJOADEO-UHFFFAOYSA-N -1 1 335.209 2.449 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603954550 1350813574 /nfs/dbraw/zinc/81/35/74/1350813574.db2.gz FINPRGVOCTVMQY-MRVPVSSYSA-N -1 1 345.309 2.497 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603954550 1350813577 /nfs/dbraw/zinc/81/35/77/1350813577.db2.gz FINPRGVOCTVMQY-MRVPVSSYSA-N -1 1 345.309 2.497 20 0 EEADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cccc(OC)c1OC ZINC001604065339 1350845009 /nfs/dbraw/zinc/84/50/09/1350845009.db2.gz VLQQWGXNOPTSSD-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cccc(OC)c1OC ZINC001604065339 1350845012 /nfs/dbraw/zinc/84/50/12/1350845012.db2.gz VLQQWGXNOPTSSD-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@](O)(CCC(F)(F)F)CNc1cccnc1-c1nnn[n-]1 ZINC001604066304 1350845114 /nfs/dbraw/zinc/84/51/14/1350845114.db2.gz RQEBYWMGVLCWOR-GFCCVEGCSA-N -1 1 330.314 2.157 20 0 EEADMM CC[C@@](O)(CCC(F)(F)F)CNc1cccnc1-c1nn[n-]n1 ZINC001604066304 1350845116 /nfs/dbraw/zinc/84/51/16/1350845116.db2.gz RQEBYWMGVLCWOR-GFCCVEGCSA-N -1 1 330.314 2.157 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](C)c1ccn(C)n1 ZINC001604072329 1350847097 /nfs/dbraw/zinc/84/70/97/1350847097.db2.gz QAMXUDJQZWKELZ-NEPJUHHUSA-N -1 1 330.388 2.186 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)Nc1ccccc1F)c1ccncc1 ZINC001604087472 1350852307 /nfs/dbraw/zinc/85/23/07/1350852307.db2.gz GFDIZCRFKPXRGF-QGZVFWFLSA-N -1 1 331.347 2.139 20 0 EEADMM CCCCO[C@@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001604188071 1350888741 /nfs/dbraw/zinc/88/87/41/1350888741.db2.gz WWQMYVVXBCZIAL-CHWSQXEVSA-N -1 1 333.392 2.173 20 0 EEADMM CCCCO[C@@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001604188071 1350888746 /nfs/dbraw/zinc/88/87/46/1350888746.db2.gz WWQMYVVXBCZIAL-CHWSQXEVSA-N -1 1 333.392 2.173 20 0 EEADMM C[C@@](Cc1ccc(Cl)cc1)(NCC(=O)NCC1CCC1)C(=O)[O-] ZINC001604216466 1350895402 /nfs/dbraw/zinc/89/54/02/1350895402.db2.gz IQFQVYVYXJBSLO-KRWDZBQOSA-N -1 1 338.835 2.232 20 0 EEADMM CCN(CC)C(=S)Sc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001604281615 1350908459 /nfs/dbraw/zinc/90/84/59/1350908459.db2.gz HHJDWQROKSOKMA-UHFFFAOYSA-N -1 1 335.462 2.253 20 0 EEADMM CCN(CC)C(=S)Sc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001604281615 1350908462 /nfs/dbraw/zinc/90/84/62/1350908462.db2.gz HHJDWQROKSOKMA-UHFFFAOYSA-N -1 1 335.462 2.253 20 0 EEADMM C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1OCC(=O)[O-] ZINC001604323903 1350915414 /nfs/dbraw/zinc/91/54/14/1350915414.db2.gz BYGYVZMBBPRRAP-OLZOCXBDSA-N -1 1 334.416 2.200 20 0 EEADMM C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1OCC(=O)[O-] ZINC001604323905 1350915659 /nfs/dbraw/zinc/91/56/59/1350915659.db2.gz BYGYVZMBBPRRAP-STQMWFEESA-N -1 1 334.416 2.200 20 0 EEADMM C[C@@H](O)CCCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001604384510 1350926833 /nfs/dbraw/zinc/92/68/33/1350926833.db2.gz SRMZYVHJXKDBAG-CZUORRHYSA-N -1 1 340.851 2.244 20 0 EEADMM CCOCc1nnc(-c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC001604437602 1350937436 /nfs/dbraw/zinc/93/74/36/1350937436.db2.gz ZEBHLVSXGLMSHI-UHFFFAOYSA-N -1 1 341.331 2.145 20 0 EEADMM CCOCc1nnc(-c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC001604437602 1350937439 /nfs/dbraw/zinc/93/74/39/1350937439.db2.gz ZEBHLVSXGLMSHI-UHFFFAOYSA-N -1 1 341.331 2.145 20 0 EEADMM C[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])n2C)C(=O)N1c1ccccc1 ZINC001604675930 1350982447 /nfs/dbraw/zinc/98/24/47/1350982447.db2.gz CAVCLKAJMLFCJO-IUODEOHRSA-N -1 1 327.384 2.007 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc3c2CCCC3)CCN1CCC(=O)[O-] ZINC001604782681 1351002026 /nfs/dbraw/zinc/00/20/26/1351002026.db2.gz FCOQGWKRDLRXCT-AWEZNQCLSA-N -1 1 330.428 2.186 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC001604827632 1351017337 /nfs/dbraw/zinc/01/73/37/1351017337.db2.gz KGUNXGOSCMULKL-GCPZOVCVSA-N -1 1 331.416 2.320 20 0 EEADMM COC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001604904177 1351028574 /nfs/dbraw/zinc/02/85/74/1351028574.db2.gz BJNIIEASELSYMW-LBPRGKRZSA-N -1 1 330.392 2.043 20 0 EEADMM COC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001604904177 1351028575 /nfs/dbraw/zinc/02/85/75/1351028575.db2.gz BJNIIEASELSYMW-LBPRGKRZSA-N -1 1 330.392 2.043 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)CC1 ZINC001604965962 1351040594 /nfs/dbraw/zinc/04/05/94/1351040594.db2.gz ZSSDRCQRBVWZDZ-NSHDSACASA-N -1 1 349.387 2.062 20 0 EEADMM COCCCn1cc(C)c(NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001605094569 1351076836 /nfs/dbraw/zinc/07/68/36/1351076836.db2.gz QVQVFGBWRRFECQ-UHFFFAOYSA-N -1 1 333.421 2.082 20 0 EEADMM CC[C@@H](NC[C@@H]1CC(C(=O)[O-])=C(C)O1)c1nnc2n1CCCCC2 ZINC001605097731 1351078153 /nfs/dbraw/zinc/07/81/53/1351078153.db2.gz ZSCKIQIGQAPASA-GXTWGEPZSA-N -1 1 334.420 2.193 20 0 EEADMM CC[C@]1(C)CC(=O)N(CN2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC001605135227 1351084820 /nfs/dbraw/zinc/08/48/20/1351084820.db2.gz JOEDAQQBRLSYCG-TXPKVOOTSA-N -1 1 330.428 2.393 20 0 EEADMM COc1cc(F)c(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1F ZINC001605223038 1351108605 /nfs/dbraw/zinc/10/86/05/1351108605.db2.gz LBXGILOBWYHOGY-UHFFFAOYSA-N -1 1 335.270 2.307 20 0 EEADMM COc1cc(F)c(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1F ZINC001605223038 1351108606 /nfs/dbraw/zinc/10/86/06/1351108606.db2.gz LBXGILOBWYHOGY-UHFFFAOYSA-N -1 1 335.270 2.307 20 0 EEADMM COc1ccc(C2CC2)cc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605268057 1351119979 /nfs/dbraw/zinc/11/99/79/1351119979.db2.gz IJQDHPHMYXWFRZ-UHFFFAOYSA-N -1 1 337.387 2.463 20 0 EEADMM COc1ccc(C2CC2)cc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605268057 1351119981 /nfs/dbraw/zinc/11/99/81/1351119981.db2.gz IJQDHPHMYXWFRZ-UHFFFAOYSA-N -1 1 337.387 2.463 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001605332052 1351138292 /nfs/dbraw/zinc/13/82/92/1351138292.db2.gz NOMGITZTPQIQND-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001605332052 1351138295 /nfs/dbraw/zinc/13/82/95/1351138295.db2.gz NOMGITZTPQIQND-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605330587 1351138816 /nfs/dbraw/zinc/13/88/16/1351138816.db2.gz AXGQIKBFUXDSBM-PBHICJAKSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605330587 1351138819 /nfs/dbraw/zinc/13/88/19/1351138819.db2.gz AXGQIKBFUXDSBM-PBHICJAKSA-N -1 1 337.387 2.116 20 0 EEADMM CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605369666 1351146063 /nfs/dbraw/zinc/14/60/63/1351146063.db2.gz BLHMPUWVGHMVGC-NXEZZACHSA-N -1 1 335.408 2.362 20 0 EEADMM CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605369666 1351146065 /nfs/dbraw/zinc/14/60/65/1351146065.db2.gz BLHMPUWVGHMVGC-NXEZZACHSA-N -1 1 335.408 2.362 20 0 EEADMM CSc1nnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC001605392969 1351152306 /nfs/dbraw/zinc/15/23/06/1351152306.db2.gz VSJAWRGUCPTXBG-UHFFFAOYSA-N -1 1 340.825 2.101 20 0 EEADMM CSc1nnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC001605392969 1351152308 /nfs/dbraw/zinc/15/23/08/1351152308.db2.gz VSJAWRGUCPTXBG-UHFFFAOYSA-N -1 1 340.825 2.101 20 0 EEADMM CSc1nnc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)s1 ZINC001605392295 1351152495 /nfs/dbraw/zinc/15/24/95/1351152495.db2.gz DQVQUHUQGRMIRA-UHFFFAOYSA-N -1 1 346.854 2.162 20 0 EEADMM CSc1nnc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001605392295 1351152497 /nfs/dbraw/zinc/15/24/97/1351152497.db2.gz DQVQUHUQGRMIRA-UHFFFAOYSA-N -1 1 346.854 2.162 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001605563314 1351191015 /nfs/dbraw/zinc/19/10/15/1351191015.db2.gz JMKQRZHYUFXQDY-YDHLFZDLSA-N -1 1 349.431 2.360 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001605563314 1351191017 /nfs/dbraw/zinc/19/10/17/1351191017.db2.gz JMKQRZHYUFXQDY-YDHLFZDLSA-N -1 1 349.431 2.360 20 0 EEADMM Cc1cc(NC[C@@H](O)Cc2cccc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001605728509 1351218981 /nfs/dbraw/zinc/21/89/81/1351218981.db2.gz MLHLYWILUQQJEI-AWEZNQCLSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1cc(NC[C@@H](O)Cc2cccc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001605728509 1351218985 /nfs/dbraw/zinc/21/89/85/1351218985.db2.gz MLHLYWILUQQJEI-AWEZNQCLSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)s1 ZINC001605842538 1351234067 /nfs/dbraw/zinc/23/40/67/1351234067.db2.gz VUFGZDLIORDERZ-MRVPVSSYSA-N -1 1 331.401 2.499 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)s1 ZINC001605842538 1351234068 /nfs/dbraw/zinc/23/40/68/1351234068.db2.gz VUFGZDLIORDERZ-MRVPVSSYSA-N -1 1 331.401 2.499 20 0 EEADMM Cc1ccc(CO[C@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605858568 1351239158 /nfs/dbraw/zinc/23/91/58/1351239158.db2.gz GADJLBUXSQYRGM-GFCCVEGCSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1ccc(CO[C@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605858568 1351239164 /nfs/dbraw/zinc/23/91/64/1351239164.db2.gz GADJLBUXSQYRGM-GFCCVEGCSA-N -1 1 342.355 2.417 20 0 EEADMM CN(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccsc1 ZINC001606012157 1351263619 /nfs/dbraw/zinc/26/36/19/1351263619.db2.gz MOQAANPKUXPXLM-IACUBPJLSA-N -1 1 339.461 2.293 20 0 EEADMM Cc1nc(CCCC(=O)OCc2cccnc2-c2nnn[n-]2)cs1 ZINC001606040192 1351265338 /nfs/dbraw/zinc/26/53/38/1351265338.db2.gz GZQHHPWHTXVRBE-UHFFFAOYSA-N -1 1 344.400 2.093 20 0 EEADMM Cc1nc(CCCC(=O)OCc2cccnc2-c2nn[n-]n2)cs1 ZINC001606040192 1351265340 /nfs/dbraw/zinc/26/53/40/1351265340.db2.gz GZQHHPWHTXVRBE-UHFFFAOYSA-N -1 1 344.400 2.093 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1coc([C@@H]2CCCN2)n1 ZINC001606154379 1351278881 /nfs/dbraw/zinc/27/88/81/1351278881.db2.gz BHXICNADGKPDIW-ZDUSSCGKSA-N -1 1 329.356 2.070 20 0 EEADMM CN(Cc1ccc(F)cc1)C(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001606159740 1351279598 /nfs/dbraw/zinc/27/95/98/1351279598.db2.gz XPLYQRWODHTDGU-QGZVFWFLSA-N -1 1 344.386 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC001606165667 1351280055 /nfs/dbraw/zinc/28/00/55/1351280055.db2.gz IMAYFZDTTCKEDA-WCQYABFASA-N -1 1 333.417 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC001606165667 1351280059 /nfs/dbraw/zinc/28/00/59/1351280059.db2.gz IMAYFZDTTCKEDA-WCQYABFASA-N -1 1 333.417 2.268 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1 ZINC001606169061 1351280693 /nfs/dbraw/zinc/28/06/93/1351280693.db2.gz ZKDJEKQQJVJXOW-MRXNPFEDSA-N -1 1 345.443 2.013 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2ncccn2)c1-c1nnn[n-]1 ZINC001606200946 1351284438 /nfs/dbraw/zinc/28/44/38/1351284438.db2.gz MRKIHJYHYMZZPJ-MRVPVSSYSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nsc(N2CCCC[C@@H]2c2ncccn2)c1-c1nn[n-]n1 ZINC001606200946 1351284442 /nfs/dbraw/zinc/28/44/42/1351284442.db2.gz MRKIHJYHYMZZPJ-MRVPVSSYSA-N -1 1 348.823 2.498 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccsc1-c1nnn[n-]1 ZINC001606695350 1351343321 /nfs/dbraw/zinc/34/33/21/1351343321.db2.gz CEYKHRIVSMAAPI-PWSUYJOCSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccsc1-c1nn[n-]n1 ZINC001606695350 1351343325 /nfs/dbraw/zinc/34/33/25/1351343325.db2.gz CEYKHRIVSMAAPI-PWSUYJOCSA-N -1 1 345.359 2.130 20 0 EEADMM COc1cc(Br)c(CN(C)C(C)(C)C(=O)[O-])cc1O ZINC001607055868 1351405388 /nfs/dbraw/zinc/40/53/88/1351405388.db2.gz GSJDTGQENFNFPX-UHFFFAOYSA-N -1 1 332.194 2.458 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1ccsc1-c1nnn[n-]1 ZINC001606745984 1351350778 /nfs/dbraw/zinc/35/07/78/1351350778.db2.gz OMDKMJAOYPKQRE-LLVKDONJSA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1ccsc1-c1nn[n-]n1 ZINC001606745984 1351350784 /nfs/dbraw/zinc/35/07/84/1351350784.db2.gz OMDKMJAOYPKQRE-LLVKDONJSA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NCC1CCc2ccccc2CC1)c1coc(-c2nnn[n-]2)c1 ZINC001606745160 1351351011 /nfs/dbraw/zinc/35/10/11/1351351011.db2.gz CXAKGZAKAOGRIY-UHFFFAOYSA-N -1 1 337.383 2.385 20 0 EEADMM O=C(NCC1CCc2ccccc2CC1)c1coc(-c2nn[n-]n2)c1 ZINC001606745160 1351351012 /nfs/dbraw/zinc/35/10/12/1351351012.db2.gz CXAKGZAKAOGRIY-UHFFFAOYSA-N -1 1 337.383 2.385 20 0 EEADMM O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606923682 1351377473 /nfs/dbraw/zinc/37/74/73/1351377473.db2.gz TYAFGELINDIXCA-UHFFFAOYSA-N -1 1 348.326 2.246 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCSc2ccccc21 ZINC001606933017 1351379385 /nfs/dbraw/zinc/37/93/85/1351379385.db2.gz DDAFXRKSKYMRAU-NSHDSACASA-N -1 1 338.396 2.480 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCSc2ccccc21 ZINC001606933017 1351379387 /nfs/dbraw/zinc/37/93/87/1351379387.db2.gz DDAFXRKSKYMRAU-NSHDSACASA-N -1 1 338.396 2.480 20 0 EEADMM O=C(Nc1ccnn1C1CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606944938 1351380912 /nfs/dbraw/zinc/38/09/12/1351380912.db2.gz MZAJONQLTCOGNE-UHFFFAOYSA-N -1 1 345.313 2.319 20 0 EEADMM O=C(Nc1ccnn1C1CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606944938 1351380913 /nfs/dbraw/zinc/38/09/13/1351380913.db2.gz MZAJONQLTCOGNE-UHFFFAOYSA-N -1 1 345.313 2.319 20 0 EEADMM O=C(OCCCCF)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606969048 1351387900 /nfs/dbraw/zinc/38/79/00/1351387900.db2.gz VTAACFBYBDZEBJ-UHFFFAOYSA-N -1 1 333.245 2.187 20 0 EEADMM c1sc(CNc2ccc([C@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001607118022 1351425522 /nfs/dbraw/zinc/42/55/22/1351425522.db2.gz NZGJDQLSOZZDOA-NSHDSACASA-N -1 1 328.401 2.439 20 0 EEADMM c1sc(CNc2ccc([C@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001607118022 1351425524 /nfs/dbraw/zinc/42/55/24/1351425524.db2.gz NZGJDQLSOZZDOA-NSHDSACASA-N -1 1 328.401 2.439 20 0 EEADMM c1cnc2c(c1)CC[C@@H]2CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001607136221 1351435017 /nfs/dbraw/zinc/43/50/17/1351435017.db2.gz SQGQVXADJRVOIH-GFCCVEGCSA-N -1 1 334.387 2.071 20 0 EEADMM c1cnc2c(c1)CC[C@@H]2CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001607136221 1351435022 /nfs/dbraw/zinc/43/50/22/1351435022.db2.gz SQGQVXADJRVOIH-GFCCVEGCSA-N -1 1 334.387 2.071 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001607136404 1351435396 /nfs/dbraw/zinc/43/53/96/1351435396.db2.gz XJXAVPNZXQZXSL-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001607136404 1351435398 /nfs/dbraw/zinc/43/53/98/1351435398.db2.gz XJXAVPNZXQZXSL-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM COc1cc(S(=O)(=O)Nc2cc(C)cc(C)n2)ccc1C(=O)[O-] ZINC001607189841 1351446064 /nfs/dbraw/zinc/44/60/64/1351446064.db2.gz JMUMALFPTIQHGX-UHFFFAOYSA-N -1 1 336.369 2.206 20 0 EEADMM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001607337834 1351477314 /nfs/dbraw/zinc/47/73/14/1351477314.db2.gz GFGPGIPPLQYZAC-LSDHHAIUSA-N -1 1 348.443 2.449 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CCN(C3CCCC3)CC2)c(C)c1C(=O)[O-] ZINC001607484192 1351501473 /nfs/dbraw/zinc/50/14/73/1351501473.db2.gz GBBKPPCZTFEMTE-AWEZNQCLSA-N -1 1 347.459 2.461 20 0 EEADMM Cc1cc(CNCCS(=O)(=O)c2ccccc2)ccc1C(=O)[O-] ZINC001607649562 1351533060 /nfs/dbraw/zinc/53/30/60/1351533060.db2.gz HMYIBYKURWSNLR-UHFFFAOYSA-N -1 1 333.409 2.257 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])cc1C ZINC001607750863 1351551589 /nfs/dbraw/zinc/55/15/89/1351551589.db2.gz PVIFCFUZBNBWCB-XIRDDKMYSA-N -1 1 348.443 2.093 20 0 EEADMM CC(=O)[C@H]([N-]S(=O)(=O)c1c[nH]c2ncccc12)c1ccccc1F ZINC001622271895 1352380649 /nfs/dbraw/zinc/38/06/49/1352380649.db2.gz LQELILNOTSCLGW-HNNXBMFYSA-N -1 1 347.371 2.311 20 0 EEADMM COCCn1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1=O ZINC000032086003 1352381520 /nfs/dbraw/zinc/38/15/20/1352381520.db2.gz YZOHBAAIMCWNHE-UHFFFAOYSA-N -1 1 348.833 2.010 20 0 EEADMM Cn1cc(-c2nn(C)cc2NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC001634826417 1352635851 /nfs/dbraw/zinc/63/58/51/1352635851.db2.gz XAPHWAKPSDSVNC-UHFFFAOYSA-N -1 1 345.790 2.361 20 0 EEADMM CC1(C)C[C@@H](C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)CCO1 ZINC001646589387 1352876623 /nfs/dbraw/zinc/87/66/23/1352876623.db2.gz JAGMDAAOXRNCLT-JTQLQIEISA-N -1 1 344.408 2.341 20 0 EEADMM C[C@H]1SCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)[C@H]1C ZINC001646690094 1352924975 /nfs/dbraw/zinc/92/49/75/1352924975.db2.gz QGMMCJZKRAOAAV-VHSXEESVSA-N -1 1 346.460 2.185 20 0 EEADMM CCn1cncc1COC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC001646916771 1353045866 /nfs/dbraw/zinc/04/58/66/1353045866.db2.gz AMDVVPWVKUCYLJ-UHFFFAOYSA-N -1 1 336.417 2.105 20 0 EEADMM CC[C@H](CSC)[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001649743109 1353581541 /nfs/dbraw/zinc/58/15/41/1353581541.db2.gz HPPASOQZTIZYBJ-SECBINFHSA-N -1 1 325.402 2.393 20 0 EEADMM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H](O)C(=O)[O-] ZINC001650014899 1353688502 /nfs/dbraw/zinc/68/85/02/1353688502.db2.gz DIGAMOKEIFQRCX-LBPRGKRZSA-N -1 1 344.198 2.023 20 0 EEADMM CSC1CCN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)CC1 ZINC001650530323 1353975099 /nfs/dbraw/zinc/97/50/99/1353975099.db2.gz XXSFKMBGLZXEHN-UHFFFAOYSA-N -1 1 334.449 2.116 20 0 EEADMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)C=C3)c1 ZINC000107386317 1358449526 /nfs/dbraw/zinc/44/95/26/1358449526.db2.gz NFQJNUIKDCGGEN-UHFFFAOYSA-N -1 1 346.389 2.117 20 0 EEADMM CCCC(=O)NC[C@H]1CCCN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001388361753 1387405338 /nfs/dbraw/zinc/40/53/38/1387405338.db2.gz YFWTZJYUQLIROC-CYBMUJFWSA-N -1 1 348.447 2.135 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cncc(C(F)(F)F)n2)c(OC)c1 ZINC001190109971 1368394794 /nfs/dbraw/zinc/39/47/94/1368394794.db2.gz FQFOZWHADUIWSA-UHFFFAOYSA-N -1 1 343.261 2.471 20 0 EEADMM O=C([O-])c1ccccc1S(=O)(=O)Nc1cccc2nccnc21 ZINC001198779201 1368645902 /nfs/dbraw/zinc/64/59/02/1368645902.db2.gz LRAKGDLOGYMPIS-UHFFFAOYSA-N -1 1 329.337 2.129 20 0 EEADMM CCOC(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC000885426511 1368973067 /nfs/dbraw/zinc/97/30/67/1368973067.db2.gz CMRCMAPTKMWFHO-UHFFFAOYSA-N -1 1 335.784 2.101 20 0 EEADMM CCCC[C@@H](C(=O)OC)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757259 1369298740 /nfs/dbraw/zinc/29/87/40/1369298740.db2.gz ADVMFESVVCKDTO-WOPDTQHZSA-N -1 1 338.370 2.107 20 0 EEADMM COc1cc2[n-]cc(C(=O)N[C@@H]3CCC3(C)C)c(=O)c2c(OC)c1 ZINC000861700831 1369503016 /nfs/dbraw/zinc/50/30/16/1369503016.db2.gz KQAVCICZIQROQE-CQSZACIVSA-N -1 1 330.384 2.464 20 0 EEADMM CC(C)c1nc2c(n1C)CCN(C(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC000900680302 1369928823 /nfs/dbraw/zinc/92/88/23/1369928823.db2.gz PFNFSLWPVLDMCO-UHFFFAOYSA-N -1 1 341.415 2.115 20 0 EEADMM COC(=O)c1ccc(C(=O)OC[C@@H]2CC(=O)N(c3ccccc3)C2)[n-]1 ZINC000796911416 1371482263 /nfs/dbraw/zinc/48/22/63/1371482263.db2.gz ZTCWFXZBPDDPFP-GFCCVEGCSA-N -1 1 342.351 2.011 20 0 EEADMM COC(=O)c1ccnc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1 ZINC001116318894 1371724165 /nfs/dbraw/zinc/72/41/65/1371724165.db2.gz BTOKRHNZIYNKDP-UHFFFAOYSA-N -1 1 342.286 2.310 20 0 EEADMM CC(C)NC(=O)NCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000828956330 1372259323 /nfs/dbraw/zinc/25/93/23/1372259323.db2.gz MHVAGUVPHNUYBK-UHFFFAOYSA-N -1 1 345.193 2.019 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C1CC1)c1ccccc1 ZINC000829915263 1372299985 /nfs/dbraw/zinc/29/99/85/1372299985.db2.gz DSYMVPHNPKQECL-HNNXBMFYSA-N -1 1 335.429 2.427 20 0 EEADMM Cc1[nH]c(CN2CCC[C@H](Oc3nccnc3C)C2)c(C)c1C(=O)[O-] ZINC001140499152 1372587918 /nfs/dbraw/zinc/58/79/18/1372587918.db2.gz OFAKIQMPVSUKJM-AWEZNQCLSA-N -1 1 344.415 2.472 20 0 EEADMM COc1cccc(O[C@H]2CCN(Cc3[nH]c(C)c(C(=O)[O-])c3C)C2)n1 ZINC001140499526 1372588537 /nfs/dbraw/zinc/58/85/37/1372588537.db2.gz RWBJAPCRFJTUNB-ZDUSSCGKSA-N -1 1 345.399 2.387 20 0 EEADMM Cc1[nH]c(CN2CCC[C@@H](Oc3ncccn3)C2)c(C)c1C(=O)[O-] ZINC001140499652 1372588557 /nfs/dbraw/zinc/58/85/57/1372588557.db2.gz SNYUIUSOUQWYRN-CYBMUJFWSA-N -1 1 330.388 2.163 20 0 EEADMM O=C(NC1CCN(Cc2ccc([O-])c(F)c2F)CC1)c1ccncc1 ZINC001140892553 1372704262 /nfs/dbraw/zinc/70/42/62/1372704262.db2.gz RRTPKUWPGHYIAQ-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nc(Cl)ccc1[O-] ZINC001342510645 1372949575 /nfs/dbraw/zinc/94/95/75/1372949575.db2.gz LBLZGUJRPHNHTM-UHFFFAOYSA-N -1 1 347.680 2.260 20 0 EEADMM CCOC(=O)[C@H](NC(=O)c1cccc([O-])c1F)c1cccc(O)c1 ZINC001362516894 1373426729 /nfs/dbraw/zinc/42/67/29/1373426729.db2.gz FDWPRIIVVYAKNE-OAHLLOKOSA-N -1 1 333.315 2.271 20 0 EEADMM CCC(CC)(NC(=O)[C@H]1SCCc2ccccc21)c1nn[n-]n1 ZINC001362789653 1373463913 /nfs/dbraw/zinc/46/39/13/1373463913.db2.gz ZIJXBOUQWIAOBF-ZDUSSCGKSA-N -1 1 331.445 2.362 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@](C)(O)c2ccc(Cl)cc2)n1 ZINC001363210063 1373493459 /nfs/dbraw/zinc/49/34/59/1373493459.db2.gz GLVLTYXRWWVBDG-OAHLLOKOSA-N -1 1 337.763 2.086 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(=O)[nH]c2c1CCCC2 ZINC001364038698 1373576756 /nfs/dbraw/zinc/57/67/56/1373576756.db2.gz LQZAHCKWYCMHNU-UHFFFAOYSA-N -1 1 327.266 2.055 20 0 EEADMM CC(C)c1occc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001369548851 1374566043 /nfs/dbraw/zinc/56/60/43/1374566043.db2.gz DBAHYKHPBYYIAS-GFCCVEGCSA-N -1 1 349.435 2.161 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CCc1cccs1 ZINC001369832599 1374672291 /nfs/dbraw/zinc/67/22/91/1374672291.db2.gz WNTGAZMHZMIUBL-GFCCVEGCSA-N -1 1 347.440 2.058 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N(C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001369832318 1374672407 /nfs/dbraw/zinc/67/24/07/1374672407.db2.gz MUCPYPUPUJZROE-UONOGXRCSA-N -1 1 335.448 2.436 20 0 EEADMM CC1(CC(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)CCCCC1 ZINC001389859651 1388332268 /nfs/dbraw/zinc/33/22/68/1388332268.db2.gz XWJJMXZYQOMUHK-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1c[nH]cc1C ZINC001370057361 1374773743 /nfs/dbraw/zinc/77/37/43/1374773743.db2.gz GHNAAYBOTPKNMZ-CYBMUJFWSA-N -1 1 344.415 2.142 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(=O)C(C)(C)C ZINC001372445171 1376010027 /nfs/dbraw/zinc/01/00/27/1376010027.db2.gz KWRLPLFHUMYLBV-ZDUSSCGKSA-N -1 1 333.432 2.144 20 0 EEADMM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001372697300 1376148939 /nfs/dbraw/zinc/14/89/39/1376148939.db2.gz LMVFXJHQDJCPNZ-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CCCN(C/C=C/Cl)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001372743699 1376178497 /nfs/dbraw/zinc/17/84/97/1376178497.db2.gz WPPXPQYLONEOTK-ZZXKWVIFSA-N -1 1 338.795 2.123 20 0 EEADMM O=C(CCC1CCCCCC1)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001375246319 1377537453 /nfs/dbraw/zinc/53/74/53/1377537453.db2.gz OXJSXKABLXHPQU-OAHLLOKOSA-N -1 1 349.479 2.245 20 0 EEADMM CCCC1(C(=O)N2CC[C@](C)(CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001379945398 1380956274 /nfs/dbraw/zinc/95/62/74/1380956274.db2.gz WIDOUVSHRZGRNI-GOSISDBHSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001383223932 1382402778 /nfs/dbraw/zinc/40/27/78/1382402778.db2.gz NKKRREIWNMVZKR-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1cccc(Cl)c1 ZINC001383697602 1382645879 /nfs/dbraw/zinc/64/58/79/1382645879.db2.gz CRTIPJUOMCZUDT-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)CCCC1 ZINC001384086364 1382790733 /nfs/dbraw/zinc/79/07/33/1382790733.db2.gz DNOLPTOCGBZLLR-ZIAGYGMSSA-N -1 1 345.443 2.477 20 0 EEADMM CCC[C@H](C)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385255601 1385403207 /nfs/dbraw/zinc/40/32/07/1385403207.db2.gz STXGHSRAAFNKAS-UONOGXRCSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CCCCCCC1 ZINC001386232883 1386025720 /nfs/dbraw/zinc/02/57/20/1386025720.db2.gz AIBYFKIAZDMCDZ-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)NC(=O)c1ncccc1[O-] ZINC001386995238 1386438981 /nfs/dbraw/zinc/43/89/81/1386438981.db2.gz LVHWYDKZYBXRPF-SNVBAGLBSA-N -1 1 349.337 2.273 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)C1=CCCCCC1 ZINC001391247719 1389166946 /nfs/dbraw/zinc/16/69/46/1389166946.db2.gz QCJRSWDIYTULFN-CYBMUJFWSA-N -1 1 331.416 2.160 20 0 EEADMM Cc1ccc(C(=O)N(C)CC(C)(C)CNC(=O)c2ncccc2[O-])o1 ZINC001395011190 1390771055 /nfs/dbraw/zinc/77/10/55/1390771055.db2.gz VRZKYCGDTDVRGP-UHFFFAOYSA-N -1 1 345.399 2.217 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001397308450 1391157750 /nfs/dbraw/zinc/15/77/50/1391157750.db2.gz NGGWCZRXEXPWOE-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001424674369 1401210536 /nfs/dbraw/zinc/21/05/36/1401210536.db2.gz YCZSZUUUVSSZEX-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CCC[C@H](C)C(=O)N(C)[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001426662852 1402133598 /nfs/dbraw/zinc/13/35/98/1402133598.db2.gz TWJLXTSRQBBBPX-RYUDHWBXSA-N -1 1 348.447 2.073 20 0 EEADMM O=C(NCC1CCN(C(=O)c2ncccc2[O-])CC1)C1(F)CCCC1 ZINC001427596923 1402501210 /nfs/dbraw/zinc/50/12/10/1402501210.db2.gz JZQHJMGHESWKGW-UHFFFAOYSA-N -1 1 349.406 2.038 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001431296732 1403024655 /nfs/dbraw/zinc/02/46/55/1403024655.db2.gz XEQPNEIOWJAWSJ-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM CC(C)[C@H](C)C(=O)N(C)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001432097504 1403198271 /nfs/dbraw/zinc/19/82/71/1403198271.db2.gz ADEMTSNMXGEUHG-AWEZNQCLSA-N -1 1 347.459 2.390 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])ccc1F ZINC001432963865 1403337967 /nfs/dbraw/zinc/33/79/67/1403337967.db2.gz RHYFMTQXVUTNOY-LLVKDONJSA-N -1 1 345.374 2.031 20 0 EEADMM CC[C@@H](CNC(=O)CC1(C)CC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576801085 1403607011 /nfs/dbraw/zinc/60/70/11/1403607011.db2.gz DPMFRTZWPLWBTQ-JTQLQIEISA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(C)(C)C ZINC001577325776 1403640165 /nfs/dbraw/zinc/64/01/65/1403640165.db2.gz IZIGRVYIGUDJBR-SNVBAGLBSA-N -1 1 343.478 2.421 20 0 EEADMM CCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001577325776 1403640169 /nfs/dbraw/zinc/64/01/69/1403640169.db2.gz IZIGRVYIGUDJBR-SNVBAGLBSA-N -1 1 343.478 2.421 20 0 EEADMM CCCC[C@@H](CNc1snc(C)c1-c1nn[n-]n1)NC(=O)C1CC1 ZINC001577487595 1403656594 /nfs/dbraw/zinc/65/65/94/1403656594.db2.gz AMLUORQSMQENGY-NSHDSACASA-N -1 1 349.464 2.129 20 0 EEADMM CCOC(OCC)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001578319649 1403737652 /nfs/dbraw/zinc/73/76/52/1403737652.db2.gz TYCAXLDQAWHWJX-ZCFIWIBFSA-N -1 1 332.817 2.176 20 0 EEADMM CCOC(OCC)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001578319649 1403737673 /nfs/dbraw/zinc/73/76/73/1403737673.db2.gz TYCAXLDQAWHWJX-ZCFIWIBFSA-N -1 1 332.817 2.176 20 0 EEADMM CCOc1ccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001578398095 1403747147 /nfs/dbraw/zinc/74/71/47/1403747147.db2.gz MYEAXGCUAQLXOE-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM CCOc1ccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001578398095 1403747149 /nfs/dbraw/zinc/74/71/49/1403747149.db2.gz MYEAXGCUAQLXOE-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM COc1ncc(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580136951 1403833326 /nfs/dbraw/zinc/83/33/26/1403833326.db2.gz 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ZINC001592275970 1404017494 /nfs/dbraw/zinc/01/74/94/1404017494.db2.gz AKHJBYVVCMQKCX-UHFFFAOYSA-N -1 1 330.402 2.195 20 0 EEADMM Cc1ccnc2[nH]c(SCc3nc(-c4nn[n-]n4)cs3)nc21 ZINC001592275970 1404017501 /nfs/dbraw/zinc/01/75/01/1404017501.db2.gz AKHJBYVVCMQKCX-UHFFFAOYSA-N -1 1 330.402 2.195 20 0 EEADMM Cc1nsc(NC(=O)N2CCc3ccsc3C2)c1-c1nnn[n-]1 ZINC001592480897 1404701849 /nfs/dbraw/zinc/70/18/49/1404701849.db2.gz YJNFNLXUQJOOHL-UHFFFAOYSA-N -1 1 347.429 2.283 20 0 EEADMM Cc1nsc(NC(=O)N2CCc3ccsc3C2)c1-c1nn[n-]n1 ZINC001592480897 1404701856 /nfs/dbraw/zinc/70/18/56/1404701856.db2.gz YJNFNLXUQJOOHL-UHFFFAOYSA-N -1 1 347.429 2.283 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001592500079 1404704626 /nfs/dbraw/zinc/70/46/26/1404704626.db2.gz KJMZDIRFEKJTQT-UHFFFAOYSA-N -1 1 328.210 2.027 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001592500079 1404704637 /nfs/dbraw/zinc/70/46/37/1404704637.db2.gz KJMZDIRFEKJTQT-UHFFFAOYSA-N -1 1 328.210 2.027 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCCCc1ccsc1 ZINC001592914885 1404728903 /nfs/dbraw/zinc/72/89/03/1404728903.db2.gz MLYGPULUVUATJA-UHFFFAOYSA-N -1 1 329.385 2.042 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCCCc1ccsc1 ZINC001592914885 1404728914 /nfs/dbraw/zinc/72/89/14/1404728914.db2.gz MLYGPULUVUATJA-UHFFFAOYSA-N -1 1 329.385 2.042 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCCCC1CCCC1 ZINC001592914389 1404729473 /nfs/dbraw/zinc/72/94/73/1404729473.db2.gz ZJBCITMRNSMBHG-UHFFFAOYSA-N -1 1 328.420 2.281 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCCCC1CCCC1 ZINC001592914389 1404729479 /nfs/dbraw/zinc/72/94/79/1404729479.db2.gz ZJBCITMRNSMBHG-UHFFFAOYSA-N -1 1 328.420 2.281 20 0 EEADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593038824 1404737615 /nfs/dbraw/zinc/73/76/15/1404737615.db2.gz AICYTHKZETWIKG-CQSZACIVSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593038824 1404737620 /nfs/dbraw/zinc/73/76/20/1404737620.db2.gz AICYTHKZETWIKG-CQSZACIVSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)o1 ZINC001593099395 1404741057 /nfs/dbraw/zinc/74/10/57/1404741057.db2.gz QDIJWGULOISAKM-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)o1 ZINC001593099395 1404741065 /nfs/dbraw/zinc/74/10/65/1404741065.db2.gz QDIJWGULOISAKM-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM O=C(NCCc1ccc(O)cc1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593105899 1404744801 /nfs/dbraw/zinc/74/48/01/1404744801.db2.gz AYCJYBCNHLZTMK-UHFFFAOYSA-N -1 1 348.366 2.026 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3c(o2)c(F)ccc3C)c1-c1nn[n-]n1 ZINC001606014916 1404755001 /nfs/dbraw/zinc/75/50/01/1404755001.db2.gz SRKNIFIONXVULM-UHFFFAOYSA-N -1 1 341.306 2.344 20 0 EEADMM CN(C)Cc1ccc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1F ZINC001606034266 1404757681 /nfs/dbraw/zinc/75/76/81/1404757681.db2.gz XKTYIWVHNYQEDQ-GXTWGEPZSA-N -1 1 338.379 2.096 20 0 EEADMM Cc1csc2nc(C)nc(NCc3ccnc(-c4nnn[n-]4)c3)c12 ZINC001606075783 1404762663 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CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@]1(C)CC=CCC1 ZINC001757287954 1409624808 /nfs/dbraw/zinc/62/48/08/1409624808.db2.gz JWDYIHXWIFXXRD-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM O=S(=O)([N-]CCC1(O)CCCCC1)c1ccc(F)c(F)c1F ZINC000404203915 1409787457 /nfs/dbraw/zinc/78/74/57/1409787457.db2.gz MAGMTZGQYPXUGX-UHFFFAOYSA-N -1 1 337.363 2.468 20 0 EEADMM CCCN1C[C@@H](C(=O)Nc2ccc(Br)c([O-])c2)CC1=O ZINC001771733199 1409934463 /nfs/dbraw/zinc/93/44/63/1409934463.db2.gz XNZQOHDMLOCFAC-VIFPVBQESA-N -1 1 341.205 2.352 20 0 EEADMM CC[C@H](C)[C@H](O)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161449 1410362829 /nfs/dbraw/zinc/36/28/29/1410362829.db2.gz JRGMHRXXWUNEFJ-LRDDRELGSA-N -1 1 340.851 2.097 20 0 EEADMM CS[C@@H](C)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000835678806 761212272 /nfs/dbraw/zinc/21/22/72/761212272.db2.gz HQJQQAMNJUIIRM-VIFPVBQESA-N -1 1 335.447 2.265 20 0 EEADMM COC(=O)C[C@H]1CCC[C@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138314 782675611 /nfs/dbraw/zinc/67/56/11/782675611.db2.gz QAFVRDOXCSFWIS-IUCAKERBSA-N -1 1 345.193 2.445 20 0 EEADMM O=C(CCC1CC1)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715736 769087743 /nfs/dbraw/zinc/08/77/43/769087743.db2.gz HWSYBMDXHQPTEX-SHTZXODSSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1nc(C)c(F)c(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105175258 769248844 /nfs/dbraw/zinc/24/88/44/769248844.db2.gz ZLFMHMWSIUBQCK-GFCCVEGCSA-N -1 1 347.394 2.200 20 0 EEADMM CC1CCC(N2C[C@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)CC1 ZINC000154996909 769949344 /nfs/dbraw/zinc/94/93/44/769949344.db2.gz NVUJJGIMRVIXNW-MOENNCHZSA-N -1 1 336.354 2.414 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2CN(Cc3ccc(C4CC4)cc3)C2)c1[O-] ZINC001031616400 770261458 /nfs/dbraw/zinc/26/14/58/770261458.db2.gz SQHRFFDIIDUQIS-UHFFFAOYSA-N -1 1 340.427 2.163 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C)c2)c1[O-] ZINC001027830074 770913637 /nfs/dbraw/zinc/91/36/37/770913637.db2.gz QXAIKQLDEVTMRZ-HNNXBMFYSA-N -1 1 328.416 2.127 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1cc(C2CC2)no1)c1ncccc1[O-] ZINC001027843893 773413328 /nfs/dbraw/zinc/41/33/28/773413328.db2.gz IOMACDKMJCEYHO-CYBMUJFWSA-N -1 1 342.399 2.047 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1ccnc(Cl)c1)c1ncccc1[O-] ZINC001027844418 773435332 /nfs/dbraw/zinc/43/53/32/773435332.db2.gz QXRWRHHFRFFEKE-CYBMUJFWSA-N -1 1 346.818 2.230 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC000938811921 774707448 /nfs/dbraw/zinc/70/74/48/774707448.db2.gz LBXBCNWVMDWOHS-SHYRYGCCSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000981208187 776792122 /nfs/dbraw/zinc/79/21/22/776792122.db2.gz UKTAHRBNXUOBII-DZGCQCFKSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1nccc(NCC[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063272204 790536038 /nfs/dbraw/zinc/53/60/38/790536038.db2.gz KRVKAGZVJVFOSC-AWEZNQCLSA-N -1 1 341.415 2.240 20 0 EEADMM CCn1c(CCNC(=O)c2cccc3c2ccn3C)n[n-]c1=S ZINC000067078170 780548172 /nfs/dbraw/zinc/54/81/72/780548172.db2.gz 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C[C@@H]1CN(C(=O)C2(C)CCCC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945419741 784068400 /nfs/dbraw/zinc/06/84/00/784068400.db2.gz KBLXBRJEQBUDID-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1CCc2nc([N-]C(=O)c3nc(-c4cnccn4)no3)sc2C1 ZINC001135683574 784237488 /nfs/dbraw/zinc/23/74/88/784237488.db2.gz ABVRTGPUHIIFLM-QMMMGPOBSA-N -1 1 342.384 2.360 20 0 EEADMM O=C(NC[C@H]1C[N@H+](CCCC2CCCC2)CCO1)c1ncccc1O ZINC001035342633 784367031 /nfs/dbraw/zinc/36/70/31/784367031.db2.gz DAMPYKHFJZPPLC-INIZCTEOSA-N -1 1 347.459 2.188 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907476467 784645411 /nfs/dbraw/zinc/64/54/11/784645411.db2.gz QLOZHNDBVOZVRU-RISCZKNCSA-N -1 1 347.444 2.307 20 0 EEADMM O=C(c1cc2ccc(F)cc2s1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478867 784685992 /nfs/dbraw/zinc/68/59/92/784685992.db2.gz WZKAEIXIFPGITC-SNVBAGLBSA-N -1 1 349.416 2.484 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945757894 784832216 /nfs/dbraw/zinc/83/22/16/784832216.db2.gz VVGJHXTYBGAAOM-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNC(=O)c1ccco1 ZINC000945759856 784837436 /nfs/dbraw/zinc/83/74/36/784837436.db2.gz TXTARKGJUJZNAA-STQMWFEESA-N -1 1 343.383 2.051 20 0 EEADMM CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000946060036 785415596 /nfs/dbraw/zinc/41/55/96/785415596.db2.gz MCFUZKOUQUNYKU-OLZOCXBDSA-N -1 1 348.447 2.039 20 0 EEADMM Cc1nc2ccnn2cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136191024 785434655 /nfs/dbraw/zinc/43/46/55/785434655.db2.gz XANFYJOPOYSPRB-UHFFFAOYSA-N -1 1 334.339 2.386 20 0 EEADMM CN(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cn1 ZINC000908607783 785561501 /nfs/dbraw/zinc/56/15/01/785561501.db2.gz FUTNFCPKDOGAJJ-MRXNPFEDSA-N -1 1 345.374 2.228 20 0 EEADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)N1CCOCC1 ZINC000908708542 785661703 /nfs/dbraw/zinc/66/17/03/785661703.db2.gz XWBUIKYKVPMZDL-UHFFFAOYSA-N -1 1 343.221 2.204 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000908744366 785683902 /nfs/dbraw/zinc/68/39/02/785683902.db2.gz RYRUAEUDOUFTRQ-HIFRSBDPSA-N -1 1 349.431 2.454 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000908746598 785686153 /nfs/dbraw/zinc/68/61/53/785686153.db2.gz XOEZBDVZTUEPEP-ZDUSSCGKSA-N -1 1 349.406 2.161 20 0 EEADMM C[C@@]1(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1(Cl)Cl ZINC000819966670 785722186 /nfs/dbraw/zinc/72/21/86/785722186.db2.gz BPZIVOHVRQLVSN-PRHODGIISA-N -1 1 334.203 2.455 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908799164 785733774 /nfs/dbraw/zinc/73/37/74/785733774.db2.gz MZPWOSPQGYQGKX-CRAIPNDOSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C1CC1 ZINC000908799164 785733778 /nfs/dbraw/zinc/73/37/78/785733778.db2.gz MZPWOSPQGYQGKX-CRAIPNDOSA-N -1 1 330.428 2.359 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCCc2ccncc2)c1 ZINC000819953050 785739569 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CCOC(=O)[C@H]1CSCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000820941011 786524793 /nfs/dbraw/zinc/52/47/93/786524793.db2.gz LRPKWMWNZZIZBC-CYBMUJFWSA-N -1 1 346.408 2.061 20 0 EEADMM CN1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910381155 786725345 /nfs/dbraw/zinc/72/53/45/786725345.db2.gz VOMOFXKLNKWJID-VXGBXAGGSA-N -1 1 330.306 2.042 20 0 EEADMM CN(CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C1CCC1 ZINC000910579285 786887300 /nfs/dbraw/zinc/88/73/00/786887300.db2.gz KBVBVBIKVZZETR-HNNXBMFYSA-N -1 1 330.384 2.029 20 0 EEADMM COc1ccccc1[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821882866 786930988 /nfs/dbraw/zinc/93/09/88/786930988.db2.gz MQKNGUHWNZMWCT-NSHDSACASA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccccc1[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821882866 786930994 /nfs/dbraw/zinc/93/09/94/786930994.db2.gz MQKNGUHWNZMWCT-NSHDSACASA-N -1 1 346.778 2.069 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccnc(O[C@H]2CCOC2)c1 ZINC000910984822 787164083 /nfs/dbraw/zinc/16/40/83/787164083.db2.gz YXKZQGRXCYOHDC-NSHDSACASA-N -1 1 336.294 2.485 20 0 EEADMM CCc1cc(C(=O)Nc2nc(Br)ccc2[O-])n(C)n1 ZINC000822353365 787165693 /nfs/dbraw/zinc/16/56/93/787165693.db2.gz VYEFHRPSKOLCCQ-UHFFFAOYSA-N -1 1 325.166 2.098 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccccc2)c1-c1nnn[n-]1 ZINC000822530685 787238493 /nfs/dbraw/zinc/23/84/93/787238493.db2.gz MITZANHUQOPYAO-JTQLQIEISA-N -1 1 344.400 2.062 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)Oc2ccccc2)c1-c1nn[n-]n1 ZINC000822530685 787238495 /nfs/dbraw/zinc/23/84/95/787238495.db2.gz MITZANHUQOPYAO-JTQLQIEISA-N -1 1 344.400 2.062 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000911174912 787299749 /nfs/dbraw/zinc/29/97/49/787299749.db2.gz AFRJWBOECKIUAX-JKSUJKDBSA-N -1 1 334.391 2.017 20 0 EEADMM O=C([O-])CN1CCCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC000911220006 787316747 /nfs/dbraw/zinc/31/67/47/787316747.db2.gz ITJHRIJRXFTHMT-UHFFFAOYSA-N -1 1 337.445 2.033 20 0 EEADMM CC(C)(CCC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000911325498 787378171 /nfs/dbraw/zinc/37/81/71/787378171.db2.gz OFXZAQTYHMMOGS-GFCCVEGCSA-N -1 1 334.420 2.279 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000911505872 787498517 /nfs/dbraw/zinc/49/85/17/787498517.db2.gz XMVJHJXNWVRAJG-YESZJQIVSA-N -1 1 346.427 2.200 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000911505872 787498522 /nfs/dbraw/zinc/49/85/22/787498522.db2.gz XMVJHJXNWVRAJG-YESZJQIVSA-N -1 1 346.427 2.200 20 0 EEADMM CN(C(=O)C12CC(C(=O)[O-])(C1)C2)C1CCN(CCC(F)(F)F)CC1 ZINC000911509205 787503886 /nfs/dbraw/zinc/50/38/86/787503886.db2.gz QUYQMDIDCYKTRK-UHFFFAOYSA-N -1 1 348.365 2.117 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2ccc(F)cc2)CC1 ZINC000823429817 787744953 /nfs/dbraw/zinc/74/49/53/787744953.db2.gz CPLNLBKRFQYSNV-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CC1 ZINC000823429817 787744961 /nfs/dbraw/zinc/74/49/61/787744961.db2.gz CPLNLBKRFQYSNV-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM C[C@H](CNc1ncnc2cccc(F)c21)NC(=O)c1ncccc1[O-] ZINC001107689920 788069841 /nfs/dbraw/zinc/06/98/41/788069841.db2.gz BGDYNBNRAQBXJP-SNVBAGLBSA-N -1 1 341.346 2.100 20 0 EEADMM CSc1nc(CNC(=O)C2(c3cccnc3)CCCC2)cc(=O)[n-]1 ZINC000912251864 788080364 /nfs/dbraw/zinc/08/03/64/788080364.db2.gz UWVWGIGJDYYNNY-UHFFFAOYSA-N -1 1 344.440 2.427 20 0 EEADMM CSc1nc(CNC(=O)[C@@]2(C)CCOc3ccccc32)cc(=O)[n-]1 ZINC000824609275 788241525 /nfs/dbraw/zinc/24/15/25/788241525.db2.gz CABIZIDCROJWNC-KRWDZBQOSA-N -1 1 345.424 2.261 20 0 EEADMM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)c1nn[nH]n1 ZINC000912617662 788257536 /nfs/dbraw/zinc/25/75/36/788257536.db2.gz IOEZPAMAOPVYJN-NSHDSACASA-N -1 1 338.371 2.021 20 0 EEADMM C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)c1nn[n-]n1 ZINC000912617662 788257542 /nfs/dbraw/zinc/25/75/42/788257542.db2.gz IOEZPAMAOPVYJN-NSHDSACASA-N -1 1 338.371 2.021 20 0 EEADMM CSCC[C@H](NC(=O)C(C)(C)c1cccc(F)c1)c1nn[n-]n1 ZINC000912860996 788420318 /nfs/dbraw/zinc/42/03/18/788420318.db2.gz ADCQJBDBPQDQAE-LBPRGKRZSA-N -1 1 337.424 2.227 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1nn[n-]n1 ZINC000912861604 788422322 /nfs/dbraw/zinc/42/23/22/788422322.db2.gz RGMAPYRKDFNAMW-JSGCOSHPSA-N -1 1 349.460 2.215 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](SC)c1ccccc1)c1nn[n-]n1 ZINC000912861596 788422358 /nfs/dbraw/zinc/42/23/58/788422358.db2.gz QVGDICVFLUPEJS-NWDGAFQWSA-N -1 1 337.474 2.214 20 0 EEADMM CSCC[C@H](NC(=O)CC[C@H]1CC1(Cl)Cl)c1nn[n-]n1 ZINC000912863111 788425995 /nfs/dbraw/zinc/42/59/95/788425995.db2.gz LNHGFOXSCKOEJS-YUMQZZPRSA-N -1 1 338.264 2.084 20 0 EEADMM CSCC[C@H](NC(=O)c1nsc2ccc(C)cc21)c1nn[n-]n1 ZINC000912863500 788426689 /nfs/dbraw/zinc/42/66/89/788426689.db2.gz ZUSFWQXOGONMLV-JTQLQIEISA-N -1 1 348.457 2.342 20 0 EEADMM CSCC[C@H](NC(=O)CCCc1ccc(F)cc1)c1nn[n-]n1 ZINC000912863128 788427271 /nfs/dbraw/zinc/42/72/71/788427271.db2.gz MBLDZPNPYLPKSD-ZDUSSCGKSA-N -1 1 337.424 2.272 20 0 EEADMM CSCC[C@H](NC(=O)c1cc2cccnc2s1)c1nn[n-]n1 ZINC000912863471 788427342 /nfs/dbraw/zinc/42/73/42/788427342.db2.gz ZBLFPAZMBRSXTL-VIFPVBQESA-N -1 1 334.430 2.034 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843926189 788743454 /nfs/dbraw/zinc/74/34/54/788743454.db2.gz JQNQMSVJSRTEBU-QWHCGFSZSA-N -1 1 332.429 2.049 20 0 EEADMM COCCN1[C@H](C)CN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1C ZINC000844021759 788785131 /nfs/dbraw/zinc/78/51/31/788785131.db2.gz TVQOPMBTSAXPGI-TXEJJXNPSA-N -1 1 326.824 2.227 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](c2ccncc2)C1 ZINC000844141889 788875942 /nfs/dbraw/zinc/87/59/42/788875942.db2.gz NDUSTISJGLHFJJ-ZDUSSCGKSA-N -1 1 339.424 2.433 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C(F)=C2CCCC2)C1 ZINC001005948750 788981556 /nfs/dbraw/zinc/98/15/56/788981556.db2.gz DKATZECRFZCWKS-NSHDSACASA-N -1 1 347.390 2.162 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001005953684 788998683 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C[C@H](COc1ccc(F)cc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001570949297 949636613 /nfs/dbraw/zinc/63/66/13/949636613.db2.gz UGSZXGFMWMWIKR-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](COc1ccc(F)cc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001570949297 949636626 /nfs/dbraw/zinc/63/66/26/949636626.db2.gz UGSZXGFMWMWIKR-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM CCN(C(C)=O)c1nc(CNC[C@@H](C(=O)[O-])C2CCC2)cs1 ZINC001589713302 950341961 /nfs/dbraw/zinc/34/19/61/950341961.db2.gz LQGZVYACLIXQJT-CYBMUJFWSA-N -1 1 325.434 2.106 20 0 EEADMM CCN(C(C)=O)c1nc(CNCC(CC)(CC)C(=O)[O-])cs1 ZINC001589713297 950342823 /nfs/dbraw/zinc/34/28/23/950342823.db2.gz LNEREGLRHJURCG-UHFFFAOYSA-N -1 1 327.450 2.497 20 0 EEADMM CCN(CCNC(=O)c1cccc(C(=O)[O-])c1)CCC(F)(F)F ZINC001589734140 950515692 /nfs/dbraw/zinc/51/56/92/950515692.db2.gz RFQHBRBPDHSQPU-UHFFFAOYSA-N -1 1 332.322 2.389 20 0 EEADMM O=C([O-])CC[C@H]1CCCCN1C[C@@H](O)c1cc(Br)no1 ZINC001595012977 951273082 /nfs/dbraw/zinc/27/30/82/951273082.db2.gz YXICQOSPGONTBM-NXEZZACHSA-N -1 1 347.209 2.190 20 0 EEADMM O=C([O-])CC[C@@H]1CCCCN1C[C@H](O)c1cc(Br)no1 ZINC001595012978 951273761 /nfs/dbraw/zinc/27/37/61/951273761.db2.gz YXICQOSPGONTBM-UWVGGRQHSA-N -1 1 347.209 2.190 20 0 EEADMM C[C@H](CNC(=O)c1csc(-c2nn[n-]n2)c1)Oc1cccc(F)c1 ZINC001575055940 951514567 /nfs/dbraw/zinc/51/45/67/951514567.db2.gz CYVQKDLEJJVEHG-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM O=C([O-])[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC001594817400 953877172 /nfs/dbraw/zinc/87/71/72/953877172.db2.gz XWHFHDWHMCXCED-HNNXBMFYSA-N -1 1 337.339 2.215 20 0 EEADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2cccs2)C1=O ZINC001594844471 954123070 /nfs/dbraw/zinc/12/30/70/954123070.db2.gz OWVRJUXLGYZUCB-GJZGRUSLSA-N -1 1 330.409 2.265 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001593759770 954473773 /nfs/dbraw/zinc/47/37/73/954473773.db2.gz ITQOCMUGZAEKCQ-UHFFFAOYSA-N -1 1 330.428 2.364 20 0 EEADMM CCc1cc(CNC(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])n[nH]1 ZINC001552981311 1125464841 /nfs/dbraw/zinc/46/48/41/1125464841.db2.gz TXSGIAYDOBMWPC-MEDUHNTESA-N -1 1 342.399 2.334 20 0 EEADMM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1nnc[nH]1 ZINC001589108887 956052681 /nfs/dbraw/zinc/05/26/81/956052681.db2.gz SRZCXBSGSMWEMH-RXMQYKEDSA-N -1 1 327.703 2.178 20 0 EEADMM CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874046371 956104651 /nfs/dbraw/zinc/10/46/51/956104651.db2.gz WIUMDHBXAGOENI-PHIMTYICSA-N -1 1 331.821 2.086 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)Nc1cccc(F)c1 ZINC001589131765 956201778 /nfs/dbraw/zinc/20/17/78/956201778.db2.gz AOKHLBYJHJNPNK-WBMJQRKESA-N -1 1 330.359 2.438 20 0 EEADMM Nc1cc(CCCCNC(=O)Nc2cccc(CC(=O)[O-])c2)ccn1 ZINC001594663325 956552174 /nfs/dbraw/zinc/55/21/74/956552174.db2.gz HCNAKDTULSXPOC-UHFFFAOYSA-N -1 1 342.399 2.435 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2C)CCN1Cc1ccccc1 ZINC000902152264 956662854 /nfs/dbraw/zinc/66/28/54/956662854.db2.gz INFNJEYNDSHUEE-SYNHAJSKSA-N -1 1 344.455 2.466 20 0 EEADMM COCC1=CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593988885 956812057 /nfs/dbraw/zinc/81/20/57/956812057.db2.gz PXTDDCQSMODTKO-OAHLLOKOSA-N -1 1 334.416 2.359 20 0 EEADMM Cc1ccc(OC(F)F)c(CNCc2c(C(=O)[O-])cnn2C)c1 ZINC001594374425 958577459 /nfs/dbraw/zinc/57/74/59/958577459.db2.gz NWWDPVHBQRULJM-UHFFFAOYSA-N -1 1 325.315 2.318 20 0 EEADMM O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2C2CC2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000221727765 959810170 /nfs/dbraw/zinc/81/01/70/959810170.db2.gz NZOPFSPXSLCIIZ-FUHIMQAGSA-N -1 1 342.439 2.268 20 0 EEADMM CCc1nc([C@H](C)NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)n[nH]1 ZINC001573963380 961698021 /nfs/dbraw/zinc/69/80/21/961698021.db2.gz RKOOROSJLQFRLX-NWDGAFQWSA-N -1 1 347.419 2.112 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2O)C[C@@H]1c1ccccc1 ZINC001571184771 962189597 /nfs/dbraw/zinc/18/95/97/962189597.db2.gz HRCFVLZXYYGVEY-ZIAGYGMSSA-N -1 1 329.327 2.472 20 0 EEADMM CCCCCc1cc(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)n[nH]1 ZINC001345133016 962237504 /nfs/dbraw/zinc/23/75/04/962237504.db2.gz JWHSCWRRJSAPBS-UHFFFAOYSA-N -1 1 342.399 2.434 20 0 EEADMM C[C@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001571190708 962247150 /nfs/dbraw/zinc/24/71/50/962247150.db2.gz CPNMLLNRVSCHJU-GMBSWORKSA-N -1 1 330.428 2.220 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc(F)c1O ZINC001571207699 962417211 /nfs/dbraw/zinc/41/72/11/962417211.db2.gz AHNNISNXQKVGPL-AWEZNQCLSA-N -1 1 333.290 2.322 20 0 EEADMM C[C@H]1CN([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC001571221234 962538214 /nfs/dbraw/zinc/53/82/14/962538214.db2.gz HUAHGHUTFMBZEY-IUIKQTSFSA-N -1 1 334.391 2.188 20 0 EEADMM C[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccc(N2CCCC2=O)cc1 ZINC000874040901 969362925 /nfs/dbraw/zinc/36/29/25/969362925.db2.gz VDUIODHFZHYJHR-GFCCVEGCSA-N -1 1 342.399 2.096 20 0 EEADMM CC(C)[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CC2)CCN1Cc1ccccc1 ZINC000902152692 969521545 /nfs/dbraw/zinc/52/15/45/969521545.db2.gz PIGKKBOFHWWYPF-MSOLQXFVSA-N -1 1 344.455 2.466 20 0 EEADMM COc1ccccc1N1CC[C@H](NCc2ccc(C(=O)[O-])s2)C1=O ZINC000903680993 969585030 /nfs/dbraw/zinc/58/50/30/969585030.db2.gz OIZKVBKIAGBYFY-LBPRGKRZSA-N -1 1 346.408 2.350 20 0 EEADMM O=C([O-])CCC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC001606131751 973377481 /nfs/dbraw/zinc/37/74/81/973377481.db2.gz GBTSSJFHXDQXEL-UHFFFAOYSA-N -1 1 343.383 2.499 20 0 EEADMM Cn1c(Cl)nc(Cl)c1CNC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001605466519 973562734 /nfs/dbraw/zinc/56/27/34/973562734.db2.gz JJOQGEXJOKPTOT-PUUHTONNSA-N -1 1 348.230 2.229 20 0 EEADMM CCOc1ccccc1-c1cc(C(=O)Nc2n[nH]cc2C(=O)[O-])[nH]n1 ZINC001603877727 974381972 /nfs/dbraw/zinc/38/19/72/974381972.db2.gz VUGQSMACYOVYHE-UHFFFAOYSA-N -1 1 341.327 2.149 20 0 EEADMM CC(C)Oc1cccc([C@H](C)N[C@H]2CCN(CCC(=O)[O-])C2=O)c1 ZINC001591791450 975984451 /nfs/dbraw/zinc/98/44/51/975984451.db2.gz AGHPSUJQKUPCJP-BBRMVZONSA-N -1 1 334.416 2.200 20 0 EEADMM CC(C)c1ncc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)[nH]1 ZINC001592008858 976682723 /nfs/dbraw/zinc/68/27/23/976682723.db2.gz WZTWGELLWWNIIC-BDAKNGLRSA-N -1 1 333.310 2.258 20 0 EEADMM C[C@H](OCc1ccccc1)[C@@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000705984171 977306585 /nfs/dbraw/zinc/30/65/85/977306585.db2.gz AHHDGBOPGNWCEN-BLLLJJGKSA-N -1 1 328.368 2.256 20 0 EEADMM Cn1ncc(Br)c1CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711606189 977555141 /nfs/dbraw/zinc/55/51/41/977555141.db2.gz VHXJCLPIRJEXQB-YPMHNXCESA-N -1 1 328.210 2.012 20 0 EEADMM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC001592341916 977792962 /nfs/dbraw/zinc/79/29/62/977792962.db2.gz JKWIXEREDVZFMD-WCQYABFASA-N -1 1 328.372 2.246 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)[nH]1 ZINC000833021097 979069199 /nfs/dbraw/zinc/06/91/99/979069199.db2.gz HLGGQAXHDSQHFF-UHFFFAOYSA-N -1 1 335.389 2.348 20 0 EEADMM CC[C@H](C)n1nc(C)c(-c2cc(C(=O)N(CC)CC(=O)[O-])n[nH]2)c1C ZINC001595021966 979100085 /nfs/dbraw/zinc/10/00/85/979100085.db2.gz FVAQOLUGPKBMOL-JTQLQIEISA-N -1 1 347.419 2.408 20 0 EEADMM Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000864102617 979686664 /nfs/dbraw/zinc/68/66/64/979686664.db2.gz ZXDWMOHFSMPRTO-UHFFFAOYSA-N -1 1 338.407 2.481 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1cnn(-c2ccccc2)c1 ZINC000900072364 980244351 /nfs/dbraw/zinc/24/43/51/980244351.db2.gz YJKFWOAVMGTRNH-HNNXBMFYSA-N -1 1 337.383 2.392 20 0 EEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000901568718 980385427 /nfs/dbraw/zinc/38/54/27/980385427.db2.gz ATWBBUXDVRJDLS-RRFJBIMHSA-N -1 1 327.384 2.106 20 0 EEADMM O=C([O-])[C@]1(O)CCN(Cc2cc(Cl)ccc2OCC2CC2)C1 ZINC000901901709 980614818 /nfs/dbraw/zinc/61/48/18/980614818.db2.gz AGHMNVAVERRZMS-INIZCTEOSA-N -1 1 325.792 2.150 20 0 EEADMM CCOc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccc1OC ZINC000901983241 980663346 /nfs/dbraw/zinc/66/33/46/980663346.db2.gz OFARBICITAFPSU-CYBMUJFWSA-N -1 1 325.430 2.486 20 0 EEADMM CC[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595452018 981112075 /nfs/dbraw/zinc/11/20/75/981112075.db2.gz XXNPEROFWMKBCX-HNNXBMFYSA-N -1 1 348.399 2.374 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001595482326 981206704 /nfs/dbraw/zinc/20/67/04/981206704.db2.gz GWQSBQLLBIEFLY-INIZCTEOSA-N -1 1 333.432 2.053 20 0 EEADMM CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001594804826 981904588 /nfs/dbraw/zinc/90/45/88/981904588.db2.gz NPJDLVIFADMDJK-MNOVXSKESA-N -1 1 339.461 2.324 20 0 EEADMM CCCN1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595909012 982992867 /nfs/dbraw/zinc/99/28/67/982992867.db2.gz BADYNNOUIZNNGA-HNNXBMFYSA-N -1 1 348.399 2.374 20 0 EEADMM CCOC(=O)CCc1c(C)[nH]n(-c2ccc(C(=O)[O-])cc2OC)c1=O ZINC001596600921 984556421 /nfs/dbraw/zinc/55/64/21/984556421.db2.gz DWCJVOPPGMANGO-GFCCVEGCSA-N -1 1 348.355 2.075 20 0 EEADMM CCOC(=O)c1c(C)[nH]nc1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001596697082 984854258 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EEADMM Cc1c(Br)cccc1CN[C@H](C(=O)[O-])c1ccnn1C ZINC001599972175 986025387 /nfs/dbraw/zinc/02/53/87/986025387.db2.gz GAVWUBVXNJDEPA-ZDUSSCGKSA-N -1 1 338.205 2.407 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001589301957 986063340 /nfs/dbraw/zinc/06/33/40/986063340.db2.gz LOHRWNXVTJGAOI-UHFFFAOYSA-N -1 1 349.364 2.402 20 0 EEADMM Cc1c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc2cncn21 ZINC001599979988 986150211 /nfs/dbraw/zinc/15/02/11/986150211.db2.gz DQBCUIYGWAPYKR-MRXNPFEDSA-N -1 1 341.342 2.380 20 0 EEADMM C[C@@H](Oc1ccccc1CN1C[C@@H](C)OC2(CCOCC2)C1)C(=O)[O-] ZINC001594548321 986237289 /nfs/dbraw/zinc/23/72/89/986237289.db2.gz SEHGCOSXSPJIGB-HUUCEWRRSA-N -1 1 349.427 2.308 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)CCCOc1ccccc1 ZINC001589350670 986309387 /nfs/dbraw/zinc/30/93/87/986309387.db2.gz REVLPEWIHRGVDF-OAHLLOKOSA-N -1 1 348.443 2.099 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC001594625205 986689547 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IAFDQLXKLLPHFE-KRZKXXONSA-N -1 1 342.439 2.465 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000833512971 605019706 /nfs/dbraw/zinc/01/97/06/605019706.db2.gz XGKSXNRCJXWYNM-SNVBAGLBSA-N -1 1 331.376 2.438 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCc1ccccc1 ZINC000833626879 605044441 /nfs/dbraw/zinc/04/44/41/605044441.db2.gz SIBRCVVOXYLCPH-MRXNPFEDSA-N -1 1 347.459 2.200 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@@H](C)C1 ZINC000833604392 605050694 /nfs/dbraw/zinc/05/06/94/605050694.db2.gz SBVRONQLPSHDAR-BARDWOONSA-N -1 1 325.453 2.002 20 0 EEADMM CCC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)N(C)C ZINC000833648664 605056876 /nfs/dbraw/zinc/05/68/76/605056876.db2.gz WGVNFRVEJODIBL-GFCCVEGCSA-N -1 1 328.796 2.472 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2cc(OC)ccc2C(=O)[O-])C[C@@H]1C ZINC000833659200 605166135 /nfs/dbraw/zinc/16/61/35/605166135.db2.gz ZCZXZWAVBSFGBN-RYUDHWBXSA-N -1 1 335.404 2.340 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000833454822 605185743 /nfs/dbraw/zinc/18/57/43/605185743.db2.gz TURDCJQXQKFDLB-UHFFFAOYSA-N -1 1 348.443 2.473 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000833514338 605253374 /nfs/dbraw/zinc/25/33/74/605253374.db2.gz RCJZPWJFDVEMKW-KGLIPLIRSA-N -1 1 336.407 2.327 20 0 EEADMM CC1CCC(N(C)CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000833602601 605726704 /nfs/dbraw/zinc/72/67/04/605726704.db2.gz GHOYMVDCWPQFCK-UHFFFAOYSA-N -1 1 325.434 2.219 20 0 EEADMM Cc1nc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)no1 ZINC000822435995 606214838 /nfs/dbraw/zinc/21/48/38/606214838.db2.gz DYMOTHBRQBBWKB-CQSZACIVSA-N -1 1 348.370 2.448 20 0 EEADMM Cc1nc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)no1 ZINC000822435995 606214840 /nfs/dbraw/zinc/21/48/40/606214840.db2.gz DYMOTHBRQBBWKB-CQSZACIVSA-N -1 1 348.370 2.448 20 0 EEADMM Fc1cc(CNc2n[nH]cc2-c2nnn[n-]2)ccc1Br ZINC000822748359 606399905 /nfs/dbraw/zinc/39/99/05/606399905.db2.gz VRRBPCKNLRGWLK-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1cc(CNc2n[nH]cc2-c2nn[n-]n2)ccc1Br ZINC000822748359 606399907 /nfs/dbraw/zinc/39/99/07/606399907.db2.gz VRRBPCKNLRGWLK-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820907798 606427328 /nfs/dbraw/zinc/42/73/28/606427328.db2.gz HGMQOPJXTVPEPR-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000820907798 606427330 /nfs/dbraw/zinc/42/73/30/606427330.db2.gz HGMQOPJXTVPEPR-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM COC(=O)c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821669337 606438919 /nfs/dbraw/zinc/43/89/19/606438919.db2.gz HARGUKLWBSMPOY-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COC(=O)c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821669337 606438921 /nfs/dbraw/zinc/43/89/21/606438921.db2.gz HARGUKLWBSMPOY-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM Cn1c2ccccc2sc1=NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822591093 606489075 /nfs/dbraw/zinc/48/90/75/606489075.db2.gz QKCFRIAQWPULTI-UHFFFAOYSA-N -1 1 342.409 2.223 20 0 EEADMM Cn1c2ccccc2sc1=NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822591093 606489077 /nfs/dbraw/zinc/48/90/77/606489077.db2.gz QKCFRIAQWPULTI-UHFFFAOYSA-N -1 1 342.409 2.223 20 0 EEADMM O=C(NCc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823269397 606595670 /nfs/dbraw/zinc/59/56/70/606595670.db2.gz FGTJKTSAOWNHBV-UHFFFAOYSA-N -1 1 346.441 2.194 20 0 EEADMM O=C(NCc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823269397 606595671 /nfs/dbraw/zinc/59/56/71/606595671.db2.gz FGTJKTSAOWNHBV-UHFFFAOYSA-N -1 1 346.441 2.194 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H]1Cc1ccccc1 ZINC000823484243 606600823 /nfs/dbraw/zinc/60/08/23/606600823.db2.gz UVNDMRUOQHSUHX-GFCCVEGCSA-N -1 1 325.397 2.385 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H]1Cc1ccccc1 ZINC000823484243 606600825 /nfs/dbraw/zinc/60/08/25/606600825.db2.gz UVNDMRUOQHSUHX-GFCCVEGCSA-N -1 1 325.397 2.385 20 0 EEADMM COc1cc(OC)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821724070 606687408 /nfs/dbraw/zinc/68/74/08/606687408.db2.gz PGZKGYGYGYAADB-UHFFFAOYSA-N -1 1 349.347 2.337 20 0 EEADMM COc1cc(OC)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821724070 606687409 /nfs/dbraw/zinc/68/74/09/606687409.db2.gz PGZKGYGYGYAADB-UHFFFAOYSA-N -1 1 349.347 2.337 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H](c2cccs2)C1 ZINC000823484247 606759236 /nfs/dbraw/zinc/75/92/36/606759236.db2.gz UYSQDGGFLIZWHA-VIFPVBQESA-N -1 1 347.425 2.203 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H](c2cccs2)C1 ZINC000823484247 606759238 /nfs/dbraw/zinc/75/92/38/606759238.db2.gz UYSQDGGFLIZWHA-VIFPVBQESA-N -1 1 347.425 2.203 20 0 EEADMM COc1ccc(OC(F)F)c(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821838354 606800952 /nfs/dbraw/zinc/80/09/52/606800952.db2.gz LYYFYWAOZPVNST-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM COc1ccc(OC(F)F)c(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821838354 606800954 /nfs/dbraw/zinc/80/09/54/606800954.db2.gz LYYFYWAOZPVNST-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823379686 607105325 /nfs/dbraw/zinc/10/53/25/607105325.db2.gz DLQKPHWXHJUYCS-BQBZGAKWSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000823379686 607105327 /nfs/dbraw/zinc/10/53/27/607105327.db2.gz DLQKPHWXHJUYCS-BQBZGAKWSA-N -1 1 348.338 2.344 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826523186 607822201 /nfs/dbraw/zinc/82/22/01/607822201.db2.gz DIOLLRXXLFOPBE-CSMYWGQOSA-N -1 1 348.410 2.206 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826523186 607822202 /nfs/dbraw/zinc/82/22/02/607822202.db2.gz DIOLLRXXLFOPBE-CSMYWGQOSA-N -1 1 348.410 2.206 20 0 EEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824764214 607895409 /nfs/dbraw/zinc/89/54/09/607895409.db2.gz ULRUABZKDVUHAV-GFCCVEGCSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824764214 607895410 /nfs/dbraw/zinc/89/54/10/607895410.db2.gz ULRUABZKDVUHAV-GFCCVEGCSA-N -1 1 347.386 2.040 20 0 EEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824456934 607927040 /nfs/dbraw/zinc/92/70/40/607927040.db2.gz BBGLGALXPXKDAD-VIFPVBQESA-N -1 1 345.794 2.071 20 0 EEADMM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824456934 607927041 /nfs/dbraw/zinc/92/70/41/607927041.db2.gz BBGLGALXPXKDAD-VIFPVBQESA-N -1 1 345.794 2.071 20 0 EEADMM Cn1ncc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1C(F)F ZINC000826366588 607967636 /nfs/dbraw/zinc/96/76/36/607967636.db2.gz PHEBOGSUNALGDJ-UHFFFAOYSA-N -1 1 326.698 2.330 20 0 EEADMM Cn1ncc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1C(F)F ZINC000826366588 607967637 /nfs/dbraw/zinc/96/76/37/607967637.db2.gz PHEBOGSUNALGDJ-UHFFFAOYSA-N -1 1 326.698 2.330 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCOc2ccccc21 ZINC000826451185 607997719 /nfs/dbraw/zinc/99/77/19/607997719.db2.gz UUHHOGLQNRPYIZ-GFCCVEGCSA-N -1 1 337.339 2.077 20 0 EEADMM COCCC1(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCCC1 ZINC000826155733 607997999 /nfs/dbraw/zinc/99/79/99/607997999.db2.gz ZRKHPAADFRYTJK-UHFFFAOYSA-N -1 1 331.376 2.108 20 0 EEADMM CC(C)c1ccc(OCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824347784 608399390 /nfs/dbraw/zinc/39/93/90/608399390.db2.gz NQMHXTFEIHBJJJ-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccc(OCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824347784 608399392 /nfs/dbraw/zinc/39/93/92/608399392.db2.gz NQMHXTFEIHBJJJ-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1ccc(Cl)cc1 ZINC000824427756 608425878 /nfs/dbraw/zinc/42/58/78/608425878.db2.gz OFDIXKYTEMEDAC-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1ccc(Cl)cc1 ZINC000824427756 608425879 /nfs/dbraw/zinc/42/58/79/608425879.db2.gz OFDIXKYTEMEDAC-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM c1cncc(-c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)c1 ZINC000826525320 608427080 /nfs/dbraw/zinc/42/70/80/608427080.db2.gz FKXLUFAZEHSVPL-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1cncc(-c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)c1 ZINC000826525320 608427081 /nfs/dbraw/zinc/42/70/81/608427081.db2.gz FKXLUFAZEHSVPL-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1 ZINC000826373905 608546816 /nfs/dbraw/zinc/54/68/16/608546816.db2.gz DLYCFXCKEMXRQT-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1ccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cc1 ZINC000826373905 608546818 /nfs/dbraw/zinc/54/68/18/608546818.db2.gz DLYCFXCKEMXRQT-HNNXBMFYSA-N -1 1 329.335 2.172 20 0 EEADMM COCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(C)o1 ZINC000826154587 609357657 /nfs/dbraw/zinc/35/76/57/609357657.db2.gz SJJJSUYRSUCGFV-SNVBAGLBSA-N -1 1 347.400 2.337 20 0 EEADMM COCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(C)o1 ZINC000826154587 609357658 /nfs/dbraw/zinc/35/76/58/609357658.db2.gz SJJJSUYRSUCGFV-SNVBAGLBSA-N -1 1 347.400 2.337 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826346050 609469180 /nfs/dbraw/zinc/46/91/80/609469180.db2.gz BIRKVWONTAVMKH-UHFFFAOYSA-N -1 1 346.435 2.428 20 0 EEADMM Cc1onc(CC(=O)NCC(C)(C)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826346050 609469182 /nfs/dbraw/zinc/46/91/82/609469182.db2.gz BIRKVWONTAVMKH-UHFFFAOYSA-N -1 1 346.435 2.428 20 0 EEADMM CCOc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)n1 ZINC000825648878 609487895 /nfs/dbraw/zinc/48/78/95/609487895.db2.gz FNAKCOXTENWSKK-UHFFFAOYSA-N -1 1 348.366 2.024 20 0 EEADMM CC/C(C)=C(/C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825049563 609639034 /nfs/dbraw/zinc/63/90/34/609639034.db2.gz CQFKQYQOSNXWJH-HJWRWDBZSA-N -1 1 347.375 2.305 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001020556351 675110070 /nfs/dbraw/zinc/11/00/70/675110070.db2.gz LEXSNNSPXWZVCG-IHRRRGAJSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(NC[C@@H]1CC[N@H+]1C[C@@H]1CCC(F)(F)C1)c1ncccc1[O-] ZINC001038192922 676048097 /nfs/dbraw/zinc/04/80/97/676048097.db2.gz FKKRVCJJXZGZNH-NEPJUHHUSA-N -1 1 325.359 2.027 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc(F)cc2F)o1 ZINC000050070269 676216024 /nfs/dbraw/zinc/21/60/24/676216024.db2.gz BIFOWXFEUXPLOF-MRVPVSSYSA-N -1 1 345.323 2.384 20 0 EEADMM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000970161899 675603191 /nfs/dbraw/zinc/60/31/91/675603191.db2.gz SZLCSDYZNYXQLL-HUUCEWRRSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1 ZINC000160707405 676420073 /nfs/dbraw/zinc/42/00/73/676420073.db2.gz DLANNCKKRNRRAW-UONOGXRCSA-N -1 1 331.441 2.314 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1CCC(=O)c2cccn21 ZINC000891617900 676725531 /nfs/dbraw/zinc/72/55/31/676725531.db2.gz LOYXUBPTYKVGHI-ZDUSSCGKSA-N -1 1 326.356 2.019 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000892129817 676903838 /nfs/dbraw/zinc/90/38/38/676903838.db2.gz NSJJXVKVWHUDHQ-UHFFFAOYSA-N -1 1 343.383 2.315 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000866872598 677965202 /nfs/dbraw/zinc/96/52/02/677965202.db2.gz VFAKUDHQFYPPIP-UONOGXRCSA-N -1 1 330.475 2.059 20 0 EEADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909404197 681359939 /nfs/dbraw/zinc/35/99/39/681359939.db2.gz YEICDUNUDDYKSZ-HUUCEWRRSA-N -1 1 348.443 2.448 20 0 EEADMM COCc1nc(N2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)cc(=O)[n-]1 ZINC000894249603 681564242 /nfs/dbraw/zinc/56/42/42/681564242.db2.gz RFFCUQQKHNETJV-NWDGAFQWSA-N -1 1 337.420 2.133 20 0 EEADMM Cc1csc(C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000937219787 681723947 /nfs/dbraw/zinc/72/39/47/681723947.db2.gz IDYXJLRXLCUEBK-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CCn1c(CNC(=O)c2cnc(-c3ccccc3)nc2)n[n-]c1=S ZINC000066636159 681762971 /nfs/dbraw/zinc/76/29/71/681762971.db2.gz KAJUQLLWMXRGNH-UHFFFAOYSA-N -1 1 340.412 2.348 20 0 EEADMM Cc1csc(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000982723746 682109463 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O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000174754369 683620984 /nfs/dbraw/zinc/62/09/84/683620984.db2.gz ZJBFRLONDQOFNK-UHFFFAOYSA-N -1 1 331.397 2.407 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937482831 683778828 /nfs/dbraw/zinc/77/88/28/683778828.db2.gz NPZMBFGBZXIRSK-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)CCO1 ZINC000179870157 683961175 /nfs/dbraw/zinc/96/11/75/683961175.db2.gz IADRISYSCZLVQW-NWDGAFQWSA-N -1 1 349.884 2.336 20 0 EEADMM CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984104662 684107465 /nfs/dbraw/zinc/10/74/65/684107465.db2.gz JURRXMMGRYNELC-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000909490397 684172060 /nfs/dbraw/zinc/17/20/60/684172060.db2.gz BUFKTYJNPOTCSU-INIZCTEOSA-N -1 1 332.400 2.496 20 0 EEADMM Cc1sccc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978739445 693846654 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EEADMM Cc1cc2c(c(N3CC[C@H]3COCc3ccccc3)n1)C(=O)[N-]C2=O ZINC001166669728 1321761692 /nfs/dbraw/zinc/76/16/92/1321761692.db2.gz OAOFCJFFJXMNSO-AWEZNQCLSA-N -1 1 337.379 2.069 20 0 EEADMM COC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001213059270 1321818970 /nfs/dbraw/zinc/81/89/70/1321818970.db2.gz IJQVTZQJKLOBLM-UHFFFAOYSA-N -1 1 334.397 2.094 20 0 EEADMM O=C(CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc([O-])cc1 ZINC001260985494 1321994741 /nfs/dbraw/zinc/99/47/41/1321994741.db2.gz HHGWORLJFVGOIK-UHFFFAOYSA-N -1 1 345.420 2.432 20 0 EEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C)ccn1 ZINC001260992176 1321995432 /nfs/dbraw/zinc/99/54/32/1321995432.db2.gz IXIUIUZCDSEJBO-UHFFFAOYSA-N -1 1 334.397 2.098 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000362540212 1322044086 /nfs/dbraw/zinc/04/40/86/1322044086.db2.gz KJLBJNWXZDNIQS-SNVBAGLBSA-N -1 1 349.774 2.430 20 0 EEADMM O=C([O-])c1ccc(CN2CCn3cc(CN4CCCC4)nc3C2)cc1 ZINC001204152319 1322060164 /nfs/dbraw/zinc/06/01/64/1322060164.db2.gz 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Cc1ccc(C(=O)NCC(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC001323027666 1333371648 /nfs/dbraw/zinc/37/16/48/1333371648.db2.gz RUQMFXDIJRYXJK-UHFFFAOYSA-N -1 1 325.777 2.179 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609127963 1351853831 /nfs/dbraw/zinc/85/38/31/1351853831.db2.gz BMRVPNFGCLPVIO-YUMQZZPRSA-N -1 1 328.829 2.106 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609127963 1351853834 /nfs/dbraw/zinc/85/38/34/1351853834.db2.gz BMRVPNFGCLPVIO-YUMQZZPRSA-N -1 1 328.829 2.106 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C[C@H]1OC ZINC001609197375 1351885973 /nfs/dbraw/zinc/88/59/73/1351885973.db2.gz ZIEHXYZIRIOQJJ-CHWSQXEVSA-N -1 1 333.392 2.092 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C[C@H]1OC ZINC001609197375 1351885975 /nfs/dbraw/zinc/88/59/75/1351885975.db2.gz ZIEHXYZIRIOQJJ-CHWSQXEVSA-N -1 1 333.392 2.092 20 0 EEADMM CCC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCC1 ZINC001609205728 1351890238 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CCc1ccccc1Cc1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609253581 1351910443 /nfs/dbraw/zinc/91/04/43/1351910443.db2.gz YRNATMCPWRTGLJ-UHFFFAOYSA-N -1 1 333.355 2.465 20 0 EEADMM CCc1ccccc1Cc1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609253581 1351910446 /nfs/dbraw/zinc/91/04/46/1351910446.db2.gz YRNATMCPWRTGLJ-UHFFFAOYSA-N -1 1 333.355 2.465 20 0 EEADMM CCn1c(COc2cccnc2-c2nnn[n-]2)nc2c1cccc2F ZINC001609257282 1351912695 /nfs/dbraw/zinc/91/26/95/1351912695.db2.gz RTIHFEWRGWVRED-UHFFFAOYSA-N -1 1 339.334 2.349 20 0 EEADMM CCn1c(COc2cccnc2-c2nn[n-]n2)nc2c1cccc2F ZINC001609257282 1351912697 /nfs/dbraw/zinc/91/26/97/1351912697.db2.gz RTIHFEWRGWVRED-UHFFFAOYSA-N -1 1 339.334 2.349 20 0 EEADMM CCn1nc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1C1CC1 ZINC001609260334 1351914085 /nfs/dbraw/zinc/91/40/85/1351914085.db2.gz WABWJVQNOPNGKW-UHFFFAOYSA-N -1 1 327.348 2.114 20 0 EEADMM CCn1nc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1C1CC1 ZINC001609260334 1351914086 /nfs/dbraw/zinc/91/40/86/1351914086.db2.gz WABWJVQNOPNGKW-UHFFFAOYSA-N -1 1 327.348 2.114 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cnc(-c2nnn[n-]2)cn1 ZINC001609340004 1351937902 /nfs/dbraw/zinc/93/79/02/1351937902.db2.gz AJQGVFAWTRHOOI-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cnc(-c2nn[n-]n2)cn1 ZINC001609340004 1351937904 /nfs/dbraw/zinc/93/79/04/1351937904.db2.gz AJQGVFAWTRHOOI-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1ccc(OCCCNc2cc(C)nc(-c3nnn[n-]3)c2)cc1 ZINC001609358802 1351945589 /nfs/dbraw/zinc/94/55/89/1351945589.db2.gz DQBXXLHLHCRCCC-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1ccc(OCCCNc2cc(C)nc(-c3nn[n-]n3)c2)cc1 ZINC001609358802 1351945591 /nfs/dbraw/zinc/94/55/91/1351945591.db2.gz DQBXXLHLHCRCCC-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1ccccc1CCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609363779 1351947289 /nfs/dbraw/zinc/94/72/89/1351947289.db2.gz VVEBFRKFLOITOF-UHFFFAOYSA-N -1 1 345.384 2.008 20 0 EEADMM COc1ccccc1CCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609363779 1351947290 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Cc1ccc(CN(CC2CC2)C(=O)c2cccc(-c3nn[n-]n3)n2)cn1 ZINC001609423213 1351970507 /nfs/dbraw/zinc/97/05/07/1351970507.db2.gz CTMASTYVGCBXMN-UHFFFAOYSA-N -1 1 349.398 2.018 20 0 EEADMM Cc1ccccc1CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609436255 1351975785 /nfs/dbraw/zinc/97/57/85/1351975785.db2.gz HJDRADQZXJKZFH-UHFFFAOYSA-N -1 1 349.441 2.057 20 0 EEADMM Cc1ccccc1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609436255 1351975787 /nfs/dbraw/zinc/97/57/87/1351975787.db2.gz HJDRADQZXJKZFH-UHFFFAOYSA-N -1 1 349.441 2.057 20 0 EEADMM Cc1nc2cc(NC(=O)c3cc(-c4nnn[n-]4)oc3C)ccc2n1C ZINC001609467947 1351988586 /nfs/dbraw/zinc/98/85/86/1351988586.db2.gz BXWPIFXHOMYRPA-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1nc2cc(NC(=O)c3cc(-c4nn[n-]n4)oc3C)ccc2n1C ZINC001609467947 1351988588 /nfs/dbraw/zinc/98/85/88/1351988588.db2.gz BXWPIFXHOMYRPA-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM FC(F)(F)[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001609483616 1351994192 /nfs/dbraw/zinc/99/41/92/1351994192.db2.gz MNPAIEWGKFWNIG-VIFPVBQESA-N -1 1 341.322 2.111 20 0 EEADMM FC(F)(F)[C@@H](NCc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001609483616 1351994194 /nfs/dbraw/zinc/99/41/94/1351994194.db2.gz MNPAIEWGKFWNIG-VIFPVBQESA-N -1 1 341.322 2.111 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(Oc2ccccc2)c1 ZINC001609510410 1352001841 /nfs/dbraw/zinc/00/18/41/1352001841.db2.gz ICWKDUYGZYRDFA-UHFFFAOYSA-N -1 1 347.338 2.126 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609564142 1352017461 /nfs/dbraw/zinc/01/74/61/1352017461.db2.gz HXMHWGCUKQRGRQ-CYBMUJFWSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609564142 1352017462 /nfs/dbraw/zinc/01/74/62/1352017462.db2.gz HXMHWGCUKQRGRQ-CYBMUJFWSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609567198 1352017938 /nfs/dbraw/zinc/01/79/38/1352017938.db2.gz WAUHJVXYSZEYDL-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c2ccc(F)cc2n1 ZINC001332274611 1335788070 /nfs/dbraw/zinc/78/80/70/1335788070.db2.gz RQUCGCHSDZKSKK-UHFFFAOYSA-N -1 1 340.362 2.215 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1F ZINC001609577485 1352024723 /nfs/dbraw/zinc/02/47/23/1352024723.db2.gz MSSPIRBPXVZMTC-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1F ZINC001609577485 1352024726 /nfs/dbraw/zinc/02/47/26/1352024726.db2.gz MSSPIRBPXVZMTC-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC[C@H](c2ccccc2)C1 ZINC001609582820 1352026638 /nfs/dbraw/zinc/02/66/38/1352026638.db2.gz IWRGVRIKLVBBDS-AWEZNQCLSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC[C@H](c2ccccc2)C1 ZINC001609582820 1352026640 /nfs/dbraw/zinc/02/66/40/1352026640.db2.gz IWRGVRIKLVBBDS-AWEZNQCLSA-N -1 1 334.383 2.282 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC=C(c2ccccc2)C1 ZINC001609582670 1352026662 /nfs/dbraw/zinc/02/66/62/1352026662.db2.gz FZJMZWRMVIMBGK-UHFFFAOYSA-N -1 1 332.367 2.191 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC=C(c2ccccc2)C1 ZINC001609582670 1352026664 /nfs/dbraw/zinc/02/66/64/1352026664.db2.gz FZJMZWRMVIMBGK-UHFFFAOYSA-N -1 1 332.367 2.191 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1cccc2ncccc21 ZINC001609577486 1352024467 /nfs/dbraw/zinc/02/44/67/1352024467.db2.gz MTEGMCIPPMIQIL-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1cccc2ncccc21 ZINC001609577486 1352024470 /nfs/dbraw/zinc/02/44/70/1352024470.db2.gz MTEGMCIPPMIQIL-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM CCc1oc2ccccc2c1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001333268375 1335992383 /nfs/dbraw/zinc/99/23/83/1335992383.db2.gz DXJICGBTEQKPJC-NSHDSACASA-N -1 1 343.412 2.439 20 0 EEADMM C[C@@H](C(=O)Nc1nccs1)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001609637645 1352047344 /nfs/dbraw/zinc/04/73/44/1352047344.db2.gz FDGUCPIVBQXTBJ-YVEFUNNKSA-N -1 1 345.424 2.198 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001609867508 1352106801 /nfs/dbraw/zinc/10/68/01/1352106801.db2.gz LBXSIXMBCARXIY-IUDNXUCKSA-N -1 1 348.418 2.327 20 0 EEADMM CC[C@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001609938929 1352124485 /nfs/dbraw/zinc/12/44/85/1352124485.db2.gz KJWAJQYNECFLRL-HIFRSBDPSA-N -1 1 336.457 2.032 20 0 EEADMM CCCCCN(c1nnc(Cc2nnn[n-]2)n1CC(C)C)C(C)C ZINC001343584267 1337339156 /nfs/dbraw/zinc/33/91/56/1337339156.db2.gz WBNGFXGMMGNBPQ-UHFFFAOYSA-N -1 1 334.472 2.443 20 0 EEADMM CCCCCN(c1nnc(Cc2nn[n-]n2)n1CC(C)C)C(C)C ZINC001343584267 1337339159 /nfs/dbraw/zinc/33/91/59/1337339159.db2.gz WBNGFXGMMGNBPQ-UHFFFAOYSA-N -1 1 334.472 2.443 20 0 EEADMM CCOc1ccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001610040698 1352148086 /nfs/dbraw/zinc/14/80/86/1352148086.db2.gz JKDDTWIEBRYWGF-ZDUSSCGKSA-N -1 1 334.416 2.059 20 0 EEADMM CCc1[nH]c(C(=O)OCc2nnc(C(C)(C)C)[nH]2)c(C)c1C(=O)[O-] ZINC001610057527 1352151481 /nfs/dbraw/zinc/15/14/81/1352151481.db2.gz XEWBBLQQAAPMIK-UHFFFAOYSA-N -1 1 334.376 2.356 20 0 EEADMM CCc1[nH]c(C(=O)OCc2n[nH]c(C(C)(C)C)n2)c(C)c1C(=O)[O-] ZINC001610057527 1352151483 /nfs/dbraw/zinc/15/14/83/1352151483.db2.gz XEWBBLQQAAPMIK-UHFFFAOYSA-N -1 1 334.376 2.356 20 0 EEADMM CCc1oc(CNCc2cccnc2-n2cccn2)cc1C(=O)[O-] ZINC001610081010 1352157865 /nfs/dbraw/zinc/15/78/65/1352157865.db2.gz GWPFIOKDUYJRGX-UHFFFAOYSA-N -1 1 326.356 2.411 20 0 EEADMM Cn1cc(C(=O)Nc2nc(Br)ccc2[O-])c(C(F)F)n1 ZINC000783909360 1371373915 /nfs/dbraw/zinc/37/39/15/1371373915.db2.gz DMIXKMZOFGDIHB-UHFFFAOYSA-N -1 1 347.119 2.473 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@H](C(C)(C)C)CC2)n1 ZINC001610195979 1352183308 /nfs/dbraw/zinc/18/33/08/1352183308.db2.gz UVRJRZKRNBJLIR-LBPRGKRZSA-N -1 1 337.420 2.474 20 0 EEADMM COc1ccccc1-c1ccc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC001610362936 1352210744 /nfs/dbraw/zinc/21/07/44/1352210744.db2.gz PNELXGLOURUDPL-NVXWUHKLSA-N -1 1 327.380 2.382 20 0 EEADMM CSCc1ccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001610384046 1352214249 /nfs/dbraw/zinc/21/42/49/1352214249.db2.gz LOSCZTNYSJBTGJ-UHFFFAOYSA-N -1 1 338.410 2.444 20 0 EEADMM C[C@H](CC1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001610393368 1352215233 /nfs/dbraw/zinc/21/52/33/1352215233.db2.gz AIJDKRPTTJMWEK-UKRRQHHQSA-N -1 1 325.453 2.003 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC001610486414 1352231007 /nfs/dbraw/zinc/23/10/07/1352231007.db2.gz HNWBDVHDBLOADT-NWDGAFQWSA-N -1 1 330.388 2.105 20 0 EEADMM Cc1ccc(NC(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1C(=O)[O-] ZINC001610508564 1352235912 /nfs/dbraw/zinc/23/59/12/1352235912.db2.gz LLFNKWAIKDSTJK-UHFFFAOYSA-N -1 1 340.343 2.461 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccccc21)c1ccc(F)cc1 ZINC001610685333 1352259990 /nfs/dbraw/zinc/25/99/90/1352259990.db2.gz PYWSAEOUJSJNND-CYBMUJFWSA-N -1 1 327.315 2.300 20 0 EEADMM O=C([O-])c1n[nH]c2ccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc21 ZINC001610707655 1352262700 /nfs/dbraw/zinc/26/27/00/1352262700.db2.gz FBEHARDFUJYBDG-UHFFFAOYSA-N -1 1 348.318 2.355 20 0 EEADMM O=C([O-])c1coc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC001610867914 1352287667 /nfs/dbraw/zinc/28/76/67/1352287667.db2.gz SCZYUOYEMPRXPR-ZDUSSCGKSA-N -1 1 334.759 2.418 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccoc1C1CC1 ZINC001429556529 1339942639 /nfs/dbraw/zinc/94/26/39/1339942639.db2.gz IPUGTIRZSKOIPV-UHFFFAOYSA-N -1 1 343.383 2.150 20 0 EEADMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([O-])cc1O ZINC000009684928 1352305506 /nfs/dbraw/zinc/30/55/06/1352305506.db2.gz DCTIMCAYIXOHOJ-FPYGCLRLSA-N -1 1 343.291 2.445 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)CC1CCCC1 ZINC001430075219 1340114499 /nfs/dbraw/zinc/11/44/99/1340114499.db2.gz QGCTYRNPSPJPTJ-OAHLLOKOSA-N -1 1 345.443 2.288 20 0 EEADMM CCC(CC)CC(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001430743723 1340316961 /nfs/dbraw/zinc/31/69/61/1340316961.db2.gz UXZYJOHUQIXYHD-LLVKDONJSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)c1nnc2ccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)cn21 ZINC001616854177 1352333168 /nfs/dbraw/zinc/33/31/68/1352333168.db2.gz QGZXFRTXGQAGQK-UHFFFAOYSA-N -1 1 338.371 2.478 20 0 EEADMM CC(C)C[C@@H](CNC(=O)C1CCCC1)NC(=O)c1ncccc1[O-] ZINC001433014592 1341465412 /nfs/dbraw/zinc/46/54/12/1341465412.db2.gz FPOUKFYMQBFRHF-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM CCOC(=O)c1cnc(C)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC001433826079 1341701700 /nfs/dbraw/zinc/70/17/00/1341701700.db2.gz CKXDYHYRPHICIC-UHFFFAOYSA-N -1 1 342.355 2.192 20 0 EEADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1S(C)(=O)=O ZINC001434085198 1341761761 /nfs/dbraw/zinc/76/17/61/1341761761.db2.gz FNHADZHVSHTEJO-UHFFFAOYSA-N -1 1 339.344 2.196 20 0 EEADMM Cc1ccc(NC(=O)CCN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1F ZINC001434471225 1341851885 /nfs/dbraw/zinc/85/18/85/1341851885.db2.gz OJQHQSGMVNPIQN-GFCCVEGCSA-N -1 1 347.394 2.166 20 0 EEADMM CC(C)Oc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001574342310 1343673965 /nfs/dbraw/zinc/67/39/65/1343673965.db2.gz UDOVEGSZFHQRBE-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)Oc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001574342310 1343673969 /nfs/dbraw/zinc/67/39/69/1343673969.db2.gz UDOVEGSZFHQRBE-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc2c1OCO2 ZINC001575484513 1343807641 /nfs/dbraw/zinc/80/76/41/1343807641.db2.gz BXYVNHIYTSDLCY-MRVPVSSYSA-N -1 1 328.284 2.106 20 0 EEADMM CCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](CC)C1 ZINC001576425908 1344014351 /nfs/dbraw/zinc/01/43/51/1344014351.db2.gz IZBVYABDKDJPPQ-WDEREUQCSA-N -1 1 349.464 2.081 20 0 EEADMM COc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001580043514 1344456250 /nfs/dbraw/zinc/45/62/50/1344456250.db2.gz ILQDRKKVDOSZGE-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM Cc1nc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)[nH]c1C ZINC001581446383 1344627217 /nfs/dbraw/zinc/62/72/17/1344627217.db2.gz ZBKUXBRRVYXTLF-SNVBAGLBSA-N -1 1 343.416 2.245 20 0 EEADMM Cc1nsc(NC/C=C\CNC(=O)CCC(C)C)c1-c1nn[n-]n1 ZINC001581714596 1344657526 /nfs/dbraw/zinc/65/75/26/1344657526.db2.gz QSXDVNQEBADQED-PLNGDYQASA-N -1 1 349.464 2.152 20 0 EEADMM Cc1scc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC001581740807 1344659214 /nfs/dbraw/zinc/65/92/14/1344659214.db2.gz NSDGPRUMYMSBFU-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM Cc1scc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC001581740807 1344659218 /nfs/dbraw/zinc/65/92/18/1344659218.db2.gz NSDGPRUMYMSBFU-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM O=C(Nc1ccc(CO)cc1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582639406 1344774936 /nfs/dbraw/zinc/77/49/36/1344774936.db2.gz QZMONFMMHZRUBY-UHFFFAOYSA-N -1 1 334.339 2.093 20 0 EEADMM CC(=Cc1ccc(Cl)nc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588770045 1348933581 /nfs/dbraw/zinc/93/35/81/1348933581.db2.gz DPGJSGLUFIOXNM-FNORWQNLSA-N -1 1 329.751 2.280 20 0 EEADMM CC(=Cc1ccco1)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001588772786 1348933854 /nfs/dbraw/zinc/93/38/54/1348933854.db2.gz RPTDXSYUMGCOPV-WEVVVXLNSA-N -1 1 345.309 2.458 20 0 EEADMM CC(=Cc1ccco1)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001588772786 1348933855 /nfs/dbraw/zinc/93/38/55/1348933855.db2.gz RPTDXSYUMGCOPV-WEVVVXLNSA-N -1 1 345.309 2.458 20 0 EEADMM CC(=O)Nc1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1F ZINC001588873415 1348939832 /nfs/dbraw/zinc/93/98/32/1348939832.db2.gz SBVCGYNQWQNDEZ-UHFFFAOYSA-N -1 1 333.352 2.033 20 0 EEADMM CC(=O)Nc1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1F ZINC001588873415 1348939834 /nfs/dbraw/zinc/93/98/34/1348939834.db2.gz SBVCGYNQWQNDEZ-UHFFFAOYSA-N -1 1 333.352 2.033 20 0 EEADMM CC(C)C[C@H](C)C[C@H](C)OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001589549755 1349002556 /nfs/dbraw/zinc/00/25/56/1349002556.db2.gz GPUSXBQZWGQSQW-SDDRHHMPSA-N -1 1 335.412 2.023 20 0 EEADMM CC(C)CC[C@@H](C)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001589588352 1349007158 /nfs/dbraw/zinc/00/71/58/1349007158.db2.gz OMTQEWZZAKHKDQ-SNVBAGLBSA-N -1 1 343.478 2.172 20 0 EEADMM CC(C)CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589592638 1349008569 /nfs/dbraw/zinc/00/85/69/1349008569.db2.gz DCAUVSGQKIWREW-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC(C)CCOc1ccc(NCc2cccc(-c3nnn[n-]3)n2)nn1 ZINC001589607904 1349010512 /nfs/dbraw/zinc/01/05/12/1349010512.db2.gz ZIRBNFFDIZFTFD-UHFFFAOYSA-N -1 1 340.391 2.089 20 0 EEADMM CC(C)CCOc1ccc(NCc2cccc(-c3nn[n-]n3)n2)nn1 ZINC001589607904 1349010517 /nfs/dbraw/zinc/01/05/17/1349010517.db2.gz ZIRBNFFDIZFTFD-UHFFFAOYSA-N -1 1 340.391 2.089 20 0 EEADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ncc(-c2ccccc2)o1 ZINC001589988382 1349093878 /nfs/dbraw/zinc/09/38/78/1349093878.db2.gz XUPSVZWAKKKKKC-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ncc(-c2ccccc2)o1 ZINC001589988382 1349093884 /nfs/dbraw/zinc/09/38/84/1349093884.db2.gz XUPSVZWAKKKKKC-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001590072035 1349138679 /nfs/dbraw/zinc/13/86/79/1349138679.db2.gz CBGIJGTZKRHGBM-NSHDSACASA-N -1 1 331.323 2.343 20 0 EEADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001590072035 1349138688 /nfs/dbraw/zinc/13/86/88/1349138688.db2.gz CBGIJGTZKRHGBM-NSHDSACASA-N -1 1 331.323 2.343 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C[C@@H]1C ZINC001590222082 1349209804 /nfs/dbraw/zinc/20/98/04/1349209804.db2.gz FNLCRSCYRZJQFT-WCABBAIRSA-N -1 1 329.408 2.478 20 0 EEADMM C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590252246 1349227363 /nfs/dbraw/zinc/22/73/63/1349227363.db2.gz XVAWXTYOZSZNTQ-RNCFNFMXSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590252871 1349227857 /nfs/dbraw/zinc/22/78/57/1349227857.db2.gz OQUMHUBEFWNNIR-ZJUUUORDSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590252871 1349227863 /nfs/dbraw/zinc/22/78/63/1349227863.db2.gz OQUMHUBEFWNNIR-ZJUUUORDSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274432 1349243095 /nfs/dbraw/zinc/24/30/95/1349243095.db2.gz KOCRLDDJJGXPGY-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001590274432 1349243100 /nfs/dbraw/zinc/24/31/00/1349243100.db2.gz KOCRLDDJJGXPGY-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3cccc(-c4nnn[n-]4)n3)sc2C1 ZINC001590279572 1349244425 /nfs/dbraw/zinc/24/44/25/1349244425.db2.gz FTLIDQKCSPQCNM-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3cccc(-c4nn[n-]n4)n3)sc2C1 ZINC001590279572 1349244429 /nfs/dbraw/zinc/24/44/29/1349244429.db2.gz FTLIDQKCSPQCNM-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1nc(C)cs1 ZINC001590383092 1349296367 /nfs/dbraw/zinc/29/63/67/1349296367.db2.gz TXUASJXVBIPASS-AWEZNQCLSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1nc(C)cs1 ZINC001590383092 1349296371 /nfs/dbraw/zinc/29/63/71/1349296371.db2.gz TXUASJXVBIPASS-AWEZNQCLSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@H](C)CCNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001590411543 1349312233 /nfs/dbraw/zinc/31/22/33/1349312233.db2.gz ZMRZQZAMMTXRCB-VIFPVBQESA-N -1 1 341.412 2.029 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590483579 1349351497 /nfs/dbraw/zinc/35/14/97/1349351497.db2.gz YZOGHMUMGMLVEP-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1cccc(OC)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590483579 1349351504 /nfs/dbraw/zinc/35/15/04/1349351504.db2.gz YZOGHMUMGMLVEP-CQSZACIVSA-N -1 1 325.376 2.253 20 0 EEADMM CCc1cc(C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001590881996 1349408595 /nfs/dbraw/zinc/40/85/95/1349408595.db2.gz SFYIRDQWPZFNCH-UHFFFAOYSA-N -1 1 348.384 2.407 20 0 EEADMM CCc1nc(NC[C@H]2CCC3(CCCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001590917946 1349413035 /nfs/dbraw/zinc/41/30/35/1349413035.db2.gz HIRUGQMMOWYKEU-LLVKDONJSA-N -1 1 329.408 2.123 20 0 EEADMM CCc1nc(NC[C@H]2CCC3(CCCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001590917946 1349413038 /nfs/dbraw/zinc/41/30/38/1349413038.db2.gz HIRUGQMMOWYKEU-LLVKDONJSA-N -1 1 329.408 2.123 20 0 EEADMM CCn1ccc(CN(C)C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001590959275 1349423079 /nfs/dbraw/zinc/42/30/79/1349423079.db2.gz YETBVSKFJWNTSY-UHFFFAOYSA-N -1 1 346.420 2.117 20 0 EEADMM CCn1ccc(CN(C)C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001590959275 1349423087 /nfs/dbraw/zinc/42/30/87/1349423087.db2.gz YETBVSKFJWNTSY-UHFFFAOYSA-N -1 1 346.420 2.117 20 0 EEADMM CO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001591355470 1349469619 /nfs/dbraw/zinc/46/96/19/1349469619.db2.gz YROVIYCHLZWZHE-SECBINFHSA-N -1 1 342.325 2.286 20 0 EEADMM CO[C@@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001591355470 1349469621 /nfs/dbraw/zinc/46/96/21/1349469621.db2.gz YROVIYCHLZWZHE-SECBINFHSA-N -1 1 342.325 2.286 20 0 EEADMM COCCc1nsc(Sc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001591449836 1349487086 /nfs/dbraw/zinc/48/70/86/1349487086.db2.gz WFZGTNTYRPBTQR-UHFFFAOYSA-N -1 1 338.393 2.197 20 0 EEADMM COCCc1nsc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001591449836 1349487089 /nfs/dbraw/zinc/48/70/89/1349487089.db2.gz WFZGTNTYRPBTQR-UHFFFAOYSA-N -1 1 338.393 2.197 20 0 EEADMM COc1ccc(Cn2ccc(Nc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC001591606102 1349512600 /nfs/dbraw/zinc/51/26/00/1349512600.db2.gz WBRASLAWFNRRAK-UHFFFAOYSA-N -1 1 348.370 2.259 20 0 EEADMM COc1ccc(Cn2ccc(Nc3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC001591606102 1349512605 /nfs/dbraw/zinc/51/26/05/1349512605.db2.gz WBRASLAWFNRRAK-UHFFFAOYSA-N -1 1 348.370 2.259 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1ccc(-c2nnn[n-]2)nn1 ZINC001591626018 1349518334 /nfs/dbraw/zinc/51/83/34/1349518334.db2.gz FWPOEKDDPQZDLO-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1ccc(-c2nn[n-]n2)nn1 ZINC001591626018 1349518339 /nfs/dbraw/zinc/51/83/39/1349518339.db2.gz FWPOEKDDPQZDLO-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(Cl)cc1F ZINC001591908293 1349555097 /nfs/dbraw/zinc/55/50/97/1349555097.db2.gz VGJHWUAYGWLLRB-UHFFFAOYSA-N -1 1 347.737 2.012 20 0 EEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[nH]n3)o2)cc1C ZINC001591945580 1349566170 /nfs/dbraw/zinc/56/61/70/1349566170.db2.gz LPFOZXAQAHGASW-UHFFFAOYSA-N -1 1 340.339 2.425 20 0 EEADMM Cc1cc(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001591945580 1349566179 /nfs/dbraw/zinc/56/61/79/1349566179.db2.gz LPFOZXAQAHGASW-UHFFFAOYSA-N -1 1 340.339 2.425 20 0 EEADMM Cc1cccc(F)c1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592231991 1349613372 /nfs/dbraw/zinc/61/33/72/1349613372.db2.gz MPTCLCBTWBOUOX-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM Cc1[nH]c2ccc(C(=O)Nc3n[nH]c(C)c3-c3nn[n-]n3)cc2c1C ZINC001592332197 1349621650 /nfs/dbraw/zinc/62/16/50/1349621650.db2.gz ADXFHKBTLXKPHK-UHFFFAOYSA-N -1 1 336.359 2.249 20 0 EEADMM Cc1nn(CC[C@H]2CCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437667 1349631963 /nfs/dbraw/zinc/63/19/63/1349631963.db2.gz XSYSBICXRAFRKW-CQSZACIVSA-N -1 1 336.399 2.160 20 0 EEADMM Cc1nn(C)c(NC(=O)CCc2ccccc2Cl)c1-c1nnn[n-]1 ZINC001592434472 1349632016 /nfs/dbraw/zinc/63/20/16/1349632016.db2.gz VTMCMBXKRLSQDK-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1nn(C)c(NC(=O)CCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC001592434472 1349632017 /nfs/dbraw/zinc/63/20/17/1349632017.db2.gz VTMCMBXKRLSQDK-UHFFFAOYSA-N -1 1 345.794 2.133 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H](C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592434264 1349632054 /nfs/dbraw/zinc/63/20/54/1349632054.db2.gz SYCWTDSADZMKPG-VIFPVBQESA-N -1 1 343.366 2.180 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H](C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592434264 1349632055 /nfs/dbraw/zinc/63/20/55/1349632055.db2.gz SYCWTDSADZMKPG-VIFPVBQESA-N -1 1 343.366 2.180 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001592515427 1349644428 /nfs/dbraw/zinc/64/44/28/1349644428.db2.gz GQGZIIGSQQMRMN-JQWIXIFHSA-N -1 1 346.435 2.379 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592515427 1349644429 /nfs/dbraw/zinc/64/44/29/1349644429.db2.gz GQGZIIGSQQMRMN-JQWIXIFHSA-N -1 1 346.435 2.379 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCCC23CCCCC3)c1-c1nnn[n-]1 ZINC001592517577 1349644578 /nfs/dbraw/zinc/64/45/78/1349644578.db2.gz MHMSTTYOSBEMGS-ZDUSSCGKSA-N -1 1 344.419 2.325 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCCC23CCCCC3)c1-c1nn[n-]n1 ZINC001592517577 1349644582 /nfs/dbraw/zinc/64/45/82/1349644582.db2.gz MHMSTTYOSBEMGS-ZDUSSCGKSA-N -1 1 344.419 2.325 20 0 EEADMM Clc1cccc2c(CCNc3nccnc3-c3nnn[n-]3)c[nH]c21 ZINC001592535142 1349650285 /nfs/dbraw/zinc/65/02/85/1349650285.db2.gz MERVYVGEMINFQT-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1cccc2c(CCNc3nccnc3-c3nn[n-]n3)c[nH]c21 ZINC001592535142 1349650286 /nfs/dbraw/zinc/65/02/86/1349650286.db2.gz MERVYVGEMINFQT-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1nc(N2CC[C@@H](Oc3ccncc3)C2)sc1-c1nnn[n-]1 ZINC001592540443 1349653137 /nfs/dbraw/zinc/65/31/37/1349653137.db2.gz LKKPRJDWKKUFQZ-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1nc(N2CC[C@@H](Oc3ccncc3)C2)sc1-c1nn[n-]n1 ZINC001592540443 1349653139 /nfs/dbraw/zinc/65/31/39/1349653139.db2.gz LKKPRJDWKKUFQZ-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1sc(N2CCC[C@@H](n3ccnc3)C2)nc1-c1nn[n-]n1 ZINC001592541687 1349653788 /nfs/dbraw/zinc/65/37/88/1349653788.db2.gz KEDODPQWMFLRLY-MRVPVSSYSA-N -1 1 336.812 2.015 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001592622289 1349676736 /nfs/dbraw/zinc/67/67/36/1349676736.db2.gz AMJXMODPGXYLLO-QXFUBDJGSA-N -1 1 326.282 2.012 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001592622289 1349676745 /nfs/dbraw/zinc/67/67/45/1349676745.db2.gz AMJXMODPGXYLLO-QXFUBDJGSA-N -1 1 326.282 2.012 20 0 EEADMM Fc1cc(OC(F)F)ccc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001592643602 1349689887 /nfs/dbraw/zinc/68/98/87/1349689887.db2.gz VWDFNNCWFBKLGI-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1cc(OC(F)F)ccc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001592643602 1349689894 /nfs/dbraw/zinc/68/98/94/1349689894.db2.gz VWDFNNCWFBKLGI-UHFFFAOYSA-N -1 1 336.277 2.036 20 0 EEADMM Fc1ccc([C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)cc1F ZINC001592648600 1349694105 /nfs/dbraw/zinc/69/41/05/1349694105.db2.gz SISQDXXNSYSXJS-OAHLLOKOSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)cc1F ZINC001592648600 1349694109 /nfs/dbraw/zinc/69/41/09/1349694109.db2.gz SISQDXXNSYSXJS-OAHLLOKOSA-N -1 1 344.325 2.118 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC001592752960 1349713048 /nfs/dbraw/zinc/71/30/48/1349713048.db2.gz JILKFZWOTYVVQH-UHFFFAOYSA-N -1 1 347.338 2.126 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001592977229 1349731307 /nfs/dbraw/zinc/73/13/07/1349731307.db2.gz SMILNXHPTXZUGT-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001592977229 1349731312 /nfs/dbraw/zinc/73/13/12/1349731312.db2.gz SMILNXHPTXZUGT-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593144595 1349742624 /nfs/dbraw/zinc/74/26/24/1349742624.db2.gz HOUKWQXGZVGFHZ-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(C2CC2)nc2ccccc21 ZINC001593259531 1349754335 /nfs/dbraw/zinc/75/43/35/1349754335.db2.gz BKGPURPWOWSTEB-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCC(F)(F)C1 ZINC001593263126 1349754988 /nfs/dbraw/zinc/75/49/88/1349754988.db2.gz DQAZFNZEKSFSJN-SCSAIBSYSA-N -1 1 334.739 2.351 20 0 EEADMM O=C(O[C@@H]1CCN(c2ccccc2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001593281104 1349761205 /nfs/dbraw/zinc/76/12/05/1349761205.db2.gz QQOHPKIJZFGRLG-CYBMUJFWSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(O[C@@H]1CCN(c2ccccc2)C1)c1csc(-c2nn[n-]n2)c1 ZINC001593281104 1349761211 /nfs/dbraw/zinc/76/12/11/1349761211.db2.gz QQOHPKIJZFGRLG-CYBMUJFWSA-N -1 1 341.396 2.364 20 0 EEADMM O=C(OC[C@@H]1CC1(F)F)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593284507 1349763080 /nfs/dbraw/zinc/76/30/80/1349763080.db2.gz KLXIDYXNQDWRFD-LURJTMIESA-N -1 1 349.219 2.093 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001593342738 1349787409 /nfs/dbraw/zinc/78/74/09/1349787409.db2.gz ZTOPVQRNRSJAMI-UHFFFAOYSA-N -1 1 341.758 2.382 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2cc(Cl)ccc2C1 ZINC001593368953 1349791906 /nfs/dbraw/zinc/79/19/06/1349791906.db2.gz CYMWQFJNVVVWSY-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2cc(Cl)ccc2C1 ZINC001593368953 1349791909 /nfs/dbraw/zinc/79/19/09/1349791909.db2.gz CYMWQFJNVVVWSY-UHFFFAOYSA-N -1 1 329.747 2.312 20 0 EEADMM OCCC1C[C@H]2CC[C@@H](C1)N2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593529527 1349831547 /nfs/dbraw/zinc/83/15/47/1349831547.db2.gz MCGAKGZZLPBDPX-CBLAIPOGSA-N -1 1 340.840 2.106 20 0 EEADMM c1ccc(-c2ncc(COc3cccnc3-c3nnn[n-]3)cn2)cc1 ZINC001593567370 1349853662 /nfs/dbraw/zinc/85/36/62/1349853662.db2.gz KKRCATUWNSYZEP-UHFFFAOYSA-N -1 1 331.339 2.298 20 0 EEADMM c1ccc(-c2ncc(COc3cccnc3-c3nn[n-]n3)cn2)cc1 ZINC001593567370 1349853666 /nfs/dbraw/zinc/85/36/66/1349853666.db2.gz KKRCATUWNSYZEP-UHFFFAOYSA-N -1 1 331.339 2.298 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001597321566 1349922586 /nfs/dbraw/zinc/92/25/86/1349922586.db2.gz KPCVHMCPJNAGBA-XVKPBYJWSA-N -1 1 330.178 2.384 20 0 EEADMM Cc1cc([C@H](C)[N@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)oc1C(=O)[O-] ZINC001600149208 1349980280 /nfs/dbraw/zinc/98/02/80/1349980280.db2.gz IQZBJGVTYGHLMA-LKFCYVNXSA-N -1 1 348.321 2.490 20 0 EEADMM Cc1cc(C)cc(CCNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001600171814 1349985266 /nfs/dbraw/zinc/98/52/66/1349985266.db2.gz BFHGIZHWXBTOES-INIZCTEOSA-N -1 1 347.459 2.036 20 0 EEADMM Cc1ccc(CS(=O)(=O)Nc2csnc2C(=O)[O-])c(F)c1 ZINC001600421885 1350047417 /nfs/dbraw/zinc/04/74/17/1350047417.db2.gz JXAQVKVEKUSPFV-UHFFFAOYSA-N -1 1 330.362 2.231 20 0 EEADMM Cc1ccc(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001600451536 1350055139 /nfs/dbraw/zinc/05/51/39/1350055139.db2.gz HCBZZLXUSKHBPZ-ZDUSSCGKSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001600496580 1350065847 /nfs/dbraw/zinc/06/58/47/1350065847.db2.gz NVUOKHMWBXGMHN-WMLDXEAASA-N -1 1 345.443 2.173 20 0 EEADMM Cc1ccc2nc(CN3CCc4cccc(C(=O)[O-])c4C3)cc(=O)n2c1 ZINC001600502729 1350067542 /nfs/dbraw/zinc/06/75/42/1350067542.db2.gz FCLMFLRUCYMCDU-UHFFFAOYSA-N -1 1 349.390 2.259 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c21 ZINC001600555313 1350081490 /nfs/dbraw/zinc/08/14/90/1350081490.db2.gz PYPINEYYRNTBMT-AWEZNQCLSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccccc1C[C@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600575867 1350087108 /nfs/dbraw/zinc/08/71/08/1350087108.db2.gz SFHKFTDCSHNWQK-JKSUJKDBSA-N -1 1 332.444 2.181 20 0 EEADMM Cc1ncc(CN2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n1C ZINC001600736335 1350124927 /nfs/dbraw/zinc/12/49/27/1350124927.db2.gz WLPDVEANRJRGEC-UHFFFAOYSA-N -1 1 334.445 2.338 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc([S@](C)=O)cc1 ZINC001600787698 1350137486 /nfs/dbraw/zinc/13/74/86/1350137486.db2.gz YLHVHPQSRYBGLD-DEOSSOPVSA-N -1 1 349.456 2.002 20 0 EEADMM Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001600809234 1350141640 /nfs/dbraw/zinc/14/16/40/1350141640.db2.gz LSHSAVKATACHGA-CQSZACIVSA-N -1 1 333.388 2.119 20 0 EEADMM NC(=O)[C@@H](F)C1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001601139905 1350219196 /nfs/dbraw/zinc/21/91/96/1350219196.db2.gz YXXVJHGXRSOIJL-STQMWFEESA-N -1 1 346.761 2.140 20 0 EEADMM O=C([O-])c1cc(CNCC(=O)Nc2cccc(F)c2)n2c1CCCC2 ZINC001601327606 1350257977 /nfs/dbraw/zinc/25/79/77/1350257977.db2.gz QUFHETVGEKGRDM-UHFFFAOYSA-N -1 1 345.374 2.390 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001601564993 1350307705 /nfs/dbraw/zinc/30/77/05/1350307705.db2.gz MIDBBPNZFFJRDJ-ZDUSSCGKSA-N -1 1 343.314 2.235 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)CC1CCCC1 ZINC001601652443 1350328707 /nfs/dbraw/zinc/32/87/07/1350328707.db2.gz QEEVORZKCALULC-SJORKVTESA-N -1 1 330.428 2.098 20 0 EEADMM O=C([O-])[C@H](N[C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cc(F)ccc1F ZINC001601665747 1350332717 /nfs/dbraw/zinc/33/27/17/1350332717.db2.gz GEOSPNQNHGPBSS-BFHYXJOUSA-N -1 1 345.317 2.314 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001601693269 1350339472 /nfs/dbraw/zinc/33/94/72/1350339472.db2.gz APQDXEDCXQLTOD-PWSUYJOCSA-N -1 1 336.779 2.169 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001601717057 1350346867 /nfs/dbraw/zinc/34/68/67/1350346867.db2.gz OPBNRNRVHJXRLN-OCCSQVGLSA-N -1 1 335.297 2.107 20 0 EEADMM O=C([O-])[C@H]1CC(=O)N(CNC2(c3ccc(F)cc3F)CCCC2)C1 ZINC001601759337 1350358332 /nfs/dbraw/zinc/35/83/32/1350358332.db2.gz NFAQZWAGNJDMIS-NSHDSACASA-N -1 1 338.354 2.214 20 0 EEADMM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1 ZINC001601884192 1350390613 /nfs/dbraw/zinc/39/06/13/1350390613.db2.gz INDSDMJKBULOHP-BAQGIRSFSA-N -1 1 337.328 2.430 20 0 EEADMM O=C([O-])CCNC(=O)CCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC001602019785 1350419930 /nfs/dbraw/zinc/41/99/30/1350419930.db2.gz NMZYCHNLQHYFFI-LLVKDONJSA-N -1 1 328.771 2.037 20 0 EEADMM O=C([O-])c1ccc2[nH]c(CNC(=O)c3cc(F)cc(F)c3O)nc2c1 ZINC001602406889 1350512295 /nfs/dbraw/zinc/51/22/95/1350512295.db2.gz SGDBCUXTXZWNHI-UHFFFAOYSA-N -1 1 347.277 2.175 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCCN(Cc3cnn(CCF)c3)C2)s1 ZINC001602510878 1350534510 /nfs/dbraw/zinc/53/45/10/1350534510.db2.gz JMZDHDDETUIFEP-GFCCVEGCSA-N -1 1 338.408 2.387 20 0 EEADMM O=C([O-])c1cnc(CN2CCC[C@]3(C2)OCc2ccccc23)cn1 ZINC001602520297 1350537354 /nfs/dbraw/zinc/53/73/54/1350537354.db2.gz KWMWLHZBFXIIPH-GOSISDBHSA-N -1 1 325.368 2.196 20 0 EEADMM O=C([O-])c1cnc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1 ZINC001602520870 1350537488 /nfs/dbraw/zinc/53/74/88/1350537488.db2.gz BIPAHNMROCRAAQ-QPUJVOFHSA-N -1 1 338.351 2.415 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001602979347 1350617243 /nfs/dbraw/zinc/61/72/43/1350617243.db2.gz TXBVXAJTYDCPFO-UHFFFAOYSA-N -1 1 326.312 2.328 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001602979347 1350617248 /nfs/dbraw/zinc/61/72/48/1350617248.db2.gz TXBVXAJTYDCPFO-UHFFFAOYSA-N -1 1 326.312 2.328 20 0 EEADMM CC(C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccccc1F ZINC001603165412 1350653682 /nfs/dbraw/zinc/65/36/82/1350653682.db2.gz NZJBNAKMNJNVLJ-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccccc1F ZINC001603165412 1350653687 /nfs/dbraw/zinc/65/36/87/1350653687.db2.gz NZJBNAKMNJNVLJ-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM C[C@@H](C(=O)Nc1c(F)cccc1F)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001603174737 1350655265 /nfs/dbraw/zinc/65/52/65/1350655265.db2.gz JZESJZBVIFCKNP-DINDLPBHSA-N -1 1 338.354 2.479 20 0 EEADMM C[C@H](C(=O)Nc1c(F)cccc1F)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001603174738 1350655476 /nfs/dbraw/zinc/65/54/76/1350655476.db2.gz JZESJZBVIFCKNP-RLFDGXBXSA-N -1 1 338.354 2.479 20 0 EEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001603180732 1350657639 /nfs/dbraw/zinc/65/76/39/1350657639.db2.gz KNMSRLJVHIELNO-OLZOCXBDSA-N -1 1 348.399 2.319 20 0 EEADMM CC(C)[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCCO1 ZINC001603249750 1350671771 /nfs/dbraw/zinc/67/17/71/1350671771.db2.gz UMDMHFOBTQNHOO-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCCO1 ZINC001603249750 1350671776 /nfs/dbraw/zinc/67/17/76/1350671776.db2.gz UMDMHFOBTQNHOO-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001603344932 1350692517 /nfs/dbraw/zinc/69/25/17/1350692517.db2.gz WUHYIHSNYRUXIR-ZFWWWQNUSA-N -1 1 336.407 2.058 20 0 EEADMM CC(C)c1ccc(OCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001603398985 1350701191 /nfs/dbraw/zinc/70/11/91/1350701191.db2.gz LNPHCGMULKBIPY-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccc(OCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001603398985 1350701198 /nfs/dbraw/zinc/70/11/98/1350701198.db2.gz LNPHCGMULKBIPY-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1nn(C)cc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001603418293 1350703093 /nfs/dbraw/zinc/70/30/93/1350703093.db2.gz GPOUNKVEFBTHEX-UHFFFAOYSA-N -1 1 347.329 2.254 20 0 EEADMM CC(C)c1nn(C)cc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001603418293 1350703095 /nfs/dbraw/zinc/70/30/95/1350703095.db2.gz GPOUNKVEFBTHEX-UHFFFAOYSA-N -1 1 347.329 2.254 20 0 EEADMM C[C@H](C1CCCCC1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001603436775 1350705318 /nfs/dbraw/zinc/70/53/18/1350705318.db2.gz OPCYZASSJBCWRF-SNVBAGLBSA-N -1 1 332.412 2.033 20 0 EEADMM C[C@H](C1CCCCC1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001603436775 1350705322 /nfs/dbraw/zinc/70/53/22/1350705322.db2.gz OPCYZASSJBCWRF-SNVBAGLBSA-N -1 1 332.412 2.033 20 0 EEADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603498983 1350713493 /nfs/dbraw/zinc/71/34/93/1350713493.db2.gz GZOZFFRLJHWETD-JTQLQIEISA-N -1 1 343.412 2.385 20 0 EEADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603498983 1350713497 /nfs/dbraw/zinc/71/34/97/1350713497.db2.gz GZOZFFRLJHWETD-JTQLQIEISA-N -1 1 343.412 2.385 20 0 EEADMM CC(C)(NCC(=O)Nc1cccc(C(=O)[O-])n1)c1cccc(F)c1 ZINC001603681393 1350741539 /nfs/dbraw/zinc/74/15/39/1350741539.db2.gz YVEBZQXFRIWMNQ-UHFFFAOYSA-N -1 1 331.347 2.382 20 0 EEADMM C[C@@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@]1(F)Cl ZINC001603800072 1350770498 /nfs/dbraw/zinc/77/04/98/1350770498.db2.gz HAASNVILRGGTRU-VXGBXAGGSA-N -1 1 329.788 2.363 20 0 EEADMM C[C@@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@]1(F)Cl ZINC001603800072 1350770502 /nfs/dbraw/zinc/77/05/02/1350770502.db2.gz HAASNVILRGGTRU-VXGBXAGGSA-N -1 1 329.788 2.363 20 0 EEADMM CC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001603805732 1350771801 /nfs/dbraw/zinc/77/18/01/1350771801.db2.gz BSIIEWAIPKQEGC-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM CC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC001603805732 1350771805 /nfs/dbraw/zinc/77/18/05/1350771805.db2.gz BSIIEWAIPKQEGC-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM C[C@@]1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC[C@H]1O ZINC001603808612 1350773748 /nfs/dbraw/zinc/77/37/48/1350773748.db2.gz YGROGZBGIWEJET-KRTXAFLBSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001603818305 1350776158 /nfs/dbraw/zinc/77/61/58/1350776158.db2.gz GPXUMHJOSRLMPH-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001603818305 1350776163 /nfs/dbraw/zinc/77/61/63/1350776163.db2.gz GPXUMHJOSRLMPH-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604000040 1350825997 /nfs/dbraw/zinc/82/59/97/1350825997.db2.gz HTZNAHQNSPALHD-SCZZXKLOSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)Nc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604000040 1350826000 /nfs/dbraw/zinc/82/60/00/1350826000.db2.gz HTZNAHQNSPALHD-SCZZXKLOSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001604042749 1350837244 /nfs/dbraw/zinc/83/72/44/1350837244.db2.gz VDIIKQBJBOTNFH-LBPRGKRZSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001604072906 1350847175 /nfs/dbraw/zinc/84/71/75/1350847175.db2.gz ZNMDHBUCZQGKJF-JTQLQIEISA-N -1 1 344.400 2.428 20 0 EEADMM CC[C@H](Oc1ccccc1C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001604072906 1350847179 /nfs/dbraw/zinc/84/71/79/1350847179.db2.gz ZNMDHBUCZQGKJF-JTQLQIEISA-N -1 1 344.400 2.428 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)[C@@H]1OC ZINC001604086145 1350851479 /nfs/dbraw/zinc/85/14/79/1350851479.db2.gz PCKCVIKIGCBWLU-RTXFEEFZSA-N -1 1 331.424 2.217 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)[C@@H]1OC ZINC001604086145 1350851485 /nfs/dbraw/zinc/85/14/85/1350851485.db2.gz PCKCVIKIGCBWLU-RTXFEEFZSA-N -1 1 331.424 2.217 20 0 EEADMM CCC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001604091658 1350853725 /nfs/dbraw/zinc/85/37/25/1350853725.db2.gz DLSMFFLPKLGSSW-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM CCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC001604091658 1350853730 /nfs/dbraw/zinc/85/37/30/1350853730.db2.gz DLSMFFLPKLGSSW-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM CC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1 ZINC001604110000 1350860685 /nfs/dbraw/zinc/86/06/85/1350860685.db2.gz FUVWLENEXKSGHQ-SNVBAGLBSA-N -1 1 342.428 2.316 20 0 EEADMM CCCCO[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001604188077 1350889076 /nfs/dbraw/zinc/88/90/76/1350889076.db2.gz WWQMYVVXBCZIAL-QWHCGFSZSA-N -1 1 333.392 2.173 20 0 EEADMM CCCCO[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001604188077 1350889080 /nfs/dbraw/zinc/88/90/80/1350889080.db2.gz WWQMYVVXBCZIAL-QWHCGFSZSA-N -1 1 333.392 2.173 20 0 EEADMM C[C@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC001604330366 1350917276 /nfs/dbraw/zinc/91/72/76/1350917276.db2.gz SVRQKDUVCYJPCD-NSHDSACASA-N -1 1 342.351 2.403 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC001604358430 1350922831 /nfs/dbraw/zinc/92/28/31/1350922831.db2.gz WNLNPHYLOGQIDI-GUBZILKMSA-N -1 1 348.321 2.214 20 0 EEADMM CCOC(=O)C1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCC1 ZINC001604367130 1350924459 /nfs/dbraw/zinc/92/44/59/1350924459.db2.gz IQCDORPVBZHIKO-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM CCOC(=O)c1ccc(CNc2snc(C)c2-c2nn[n-]n2)o1 ZINC001604387968 1350927346 /nfs/dbraw/zinc/92/73/46/1350927346.db2.gz FWMJYJXHYCICKO-UHFFFAOYSA-N -1 1 334.361 2.013 20 0 EEADMM CCOC(=O)c1cnn(Cc2cc3ccccc3o2)c1-c1nn[n-]n1 ZINC001604390800 1350927999 /nfs/dbraw/zinc/92/79/99/1350927999.db2.gz MVSUCVDTNHGZFY-UHFFFAOYSA-N -1 1 338.327 2.034 20 0 EEADMM CCOC1CC2(C[C@H]2Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001604411785 1350932101 /nfs/dbraw/zinc/93/21/01/1350932101.db2.gz GWEPBDWMAQPPOS-PELISNOXSA-N -1 1 326.813 2.346 20 0 EEADMM CCOC1CC2(C[C@H]2Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001604411785 1350932103 /nfs/dbraw/zinc/93/21/03/1350932103.db2.gz GWEPBDWMAQPPOS-PELISNOXSA-N -1 1 326.813 2.346 20 0 EEADMM CCOc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001604465549 1350943337 /nfs/dbraw/zinc/94/33/37/1350943337.db2.gz MNBNBEJFVLMAEI-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM CCSc1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cn1 ZINC001604483474 1350947306 /nfs/dbraw/zinc/94/73/06/1350947306.db2.gz SBOOPFPDRWQXML-UHFFFAOYSA-N -1 1 347.429 2.391 20 0 EEADMM CCSc1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001604483474 1350947307 /nfs/dbraw/zinc/94/73/07/1350947307.db2.gz SBOOPFPDRWQXML-UHFFFAOYSA-N -1 1 347.429 2.391 20 0 EEADMM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001604538882 1350957545 /nfs/dbraw/zinc/95/75/45/1350957545.db2.gz MKDGKKHALRIIFQ-SNVBAGLBSA-N -1 1 340.362 2.454 20 0 EEADMM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001604538882 1350957547 /nfs/dbraw/zinc/95/75/47/1350957547.db2.gz MKDGKKHALRIIFQ-SNVBAGLBSA-N -1 1 340.362 2.454 20 0 EEADMM C[C@]1(Cc2ccc(F)cc2)CCCN1Cc1cn(CC(=O)[O-])nn1 ZINC001604584531 1350965012 /nfs/dbraw/zinc/96/50/12/1350965012.db2.gz YKOQAMCLHHUIMO-QGZVFWFLSA-N -1 1 332.379 2.099 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001604643707 1350976297 /nfs/dbraw/zinc/97/62/97/1350976297.db2.gz SPYKOISPCWEJEI-RYUDHWBXSA-N -1 1 346.439 2.279 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001604643707 1350976298 /nfs/dbraw/zinc/97/62/98/1350976298.db2.gz SPYKOISPCWEJEI-RYUDHWBXSA-N -1 1 346.439 2.279 20 0 EEADMM C[C@@H]1CC(C)(C)CN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001604656393 1350978991 /nfs/dbraw/zinc/97/89/91/1350978991.db2.gz WZLMZTHMGFHOIJ-GFCCVEGCSA-N -1 1 345.399 2.231 20 0 EEADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCO[C@@H]1CC1(F)F ZINC001604811679 1351012622 /nfs/dbraw/zinc/01/26/22/1351012622.db2.gz UQLFIRCHOUGBNT-SWLSCSKDSA-N -1 1 340.370 2.320 20 0 EEADMM CN(Cc1ccccn1)c1cc(Br)cnc1-c1nnn[n-]1 ZINC001604821599 1351015778 /nfs/dbraw/zinc/01/57/78/1351015778.db2.gz HPHUCGRLVLOPLB-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccccn1)c1cc(Br)cnc1-c1nn[n-]n1 ZINC001604821599 1351015779 /nfs/dbraw/zinc/01/57/79/1351015779.db2.gz HPHUCGRLVLOPLB-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CC[C@H](C(=O)OCc1nc2cc(C(=O)[O-])ccc2[nH]1)N(CC)CC ZINC001604887034 1351025339 /nfs/dbraw/zinc/02/53/39/1351025339.db2.gz AJQXDGYQTHQONY-CQSZACIVSA-N -1 1 333.388 2.425 20 0 EEADMM CC[C@@H](Cc1ccccc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001605060729 1351069569 /nfs/dbraw/zinc/06/95/69/1351069569.db2.gz MYRXYHBIRMFKDO-WBVHZDCISA-N -1 1 332.444 2.263 20 0 EEADMM CCCCC[C@@H](NC(=O)[C@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001605258965 1351117968 /nfs/dbraw/zinc/11/79/68/1351117968.db2.gz YYCVCLZNQAGIIY-HUUCEWRRSA-N -1 1 332.400 2.452 20 0 EEADMM COc1ccc([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1F ZINC001605264235 1351119012 /nfs/dbraw/zinc/11/90/12/1351119012.db2.gz YVKLEYAYSMGTNQ-VIFPVBQESA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1F ZINC001605264235 1351119014 /nfs/dbraw/zinc/11/90/14/1351119014.db2.gz YVKLEYAYSMGTNQ-VIFPVBQESA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc2c(c1)[C@H](Nc1cc(-c3nnn[n-]3)nc(C)n1)CCC2 ZINC001605309744 1351132242 /nfs/dbraw/zinc/13/22/42/1351132242.db2.gz XTTFVGLDJMFFHC-CQSZACIVSA-N -1 1 337.387 2.463 20 0 EEADMM COc1ccc2c(c1)[C@H](Nc1cc(-c3nn[n-]n3)nc(C)n1)CCC2 ZINC001605309744 1351132246 /nfs/dbraw/zinc/13/22/46/1351132246.db2.gz XTTFVGLDJMFFHC-CQSZACIVSA-N -1 1 337.387 2.463 20 0 EEADMM CSC1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001605369390 1351146031 /nfs/dbraw/zinc/14/60/31/1351146031.db2.gz QMMCFETYJUXZJV-UHFFFAOYSA-N -1 1 347.448 2.449 20 0 EEADMM CSC1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001605369390 1351146032 /nfs/dbraw/zinc/14/60/32/1351146032.db2.gz QMMCFETYJUXZJV-UHFFFAOYSA-N -1 1 347.448 2.449 20 0 EEADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001605426275 1351156465 /nfs/dbraw/zinc/15/64/65/1351156465.db2.gz DUXQRLGLKCVPLF-MVIOUDGNSA-N -1 1 339.812 2.143 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nn1C ZINC001605464285 1351163371 /nfs/dbraw/zinc/16/33/71/1351163371.db2.gz DVMCIMLXYRPNIR-FRRDWIJNSA-N -1 1 343.435 2.454 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nn1C ZINC001605464285 1351163372 /nfs/dbraw/zinc/16/33/72/1351163372.db2.gz DVMCIMLXYRPNIR-FRRDWIJNSA-N -1 1 343.435 2.454 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3ccccc3C(C)(C)C2)n1 ZINC001605565938 1351191295 /nfs/dbraw/zinc/19/12/95/1351191295.db2.gz PXSDJCWALBWHEG-UHFFFAOYSA-N -1 1 335.415 2.305 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3ccccc3C(C)(C)C2)n1 ZINC001605565938 1351191299 /nfs/dbraw/zinc/19/12/99/1351191299.db2.gz PXSDJCWALBWHEG-UHFFFAOYSA-N -1 1 335.415 2.305 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H](O)c2cccc3ccccc32)n1 ZINC001605575368 1351192436 /nfs/dbraw/zinc/19/24/36/1351192436.db2.gz NBSNRDSFEVAMFU-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H](O)c2cccc3ccccc32)n1 ZINC001605575368 1351192438 /nfs/dbraw/zinc/19/24/38/1351192438.db2.gz NBSNRDSFEVAMFU-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM CCO[C@H](CS(=O)(=O)Nc1c(F)ccc(F)c1C(=O)[O-])C1CC1 ZINC001605592602 1351196683 /nfs/dbraw/zinc/19/66/83/1351196683.db2.gz BUAKCNPOCYGPBX-LLVKDONJSA-N -1 1 349.355 2.220 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)c1cccc(-c3nnn[n-]3)n1)CC2 ZINC001605643416 1351208729 /nfs/dbraw/zinc/20/87/29/1351208729.db2.gz IOZHFNGWEHHVIE-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)c1cccc(-c3nn[n-]n3)n1)CC2 ZINC001605643416 1351208732 /nfs/dbraw/zinc/20/87/32/1351208732.db2.gz IOZHFNGWEHHVIE-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(CC(=O)Nc2c(C)cc(C)cc2C)c1C ZINC001605643623 1351208824 /nfs/dbraw/zinc/20/88/24/1351208824.db2.gz NZXOIRLGOYKPNJ-UHFFFAOYSA-N -1 1 339.403 2.244 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(CC(=O)Nc2c(C)cc(C)cc2C)c1C ZINC001605643623 1351208825 /nfs/dbraw/zinc/20/88/25/1351208825.db2.gz NZXOIRLGOYKPNJ-UHFFFAOYSA-N -1 1 339.403 2.244 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605828023 1351230288 /nfs/dbraw/zinc/23/02/88/1351230288.db2.gz YOUSPLGJFRVVBE-ZWNOBZJWSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605828023 1351230293 /nfs/dbraw/zinc/23/02/93/1351230293.db2.gz YOUSPLGJFRVVBE-ZWNOBZJWSA-N -1 1 343.412 2.089 20 0 EEADMM CCc1nc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)n[nH]1 ZINC001605875026 1351243234 /nfs/dbraw/zinc/24/32/34/1351243234.db2.gz YXLSJJSJSANTPT-VIFPVBQESA-N -1 1 334.401 2.493 20 0 EEADMM CCc1n[nH]c(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC001605875026 1351243238 /nfs/dbraw/zinc/24/32/38/1351243238.db2.gz YXLSJJSJSANTPT-VIFPVBQESA-N -1 1 334.401 2.493 20 0 EEADMM Cc1cccc(C)c1OCCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605908504 1351251994 /nfs/dbraw/zinc/25/19/94/1351251994.db2.gz ADJNAAMOJZUUQG-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1cccc(C)c1OCCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605908504 1351251996 /nfs/dbraw/zinc/25/19/96/1351251996.db2.gz ADJNAAMOJZUUQG-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1[nH]nc(NCc2cc(Br)cs2)c1-c1nnn[n-]1 ZINC001606013584 1351263678 /nfs/dbraw/zinc/26/36/78/1351263678.db2.gz DCDGCDQGUDYDMU-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1[nH]nc(NCc2cc(Br)cs2)c1-c1nn[n-]n1 ZINC001606013584 1351263681 /nfs/dbraw/zinc/26/36/81/1351263681.db2.gz DCDGCDQGUDYDMU-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1ncc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)s1 ZINC001606089662 1351269097 /nfs/dbraw/zinc/26/90/97/1351269097.db2.gz UKTABXPLFTWUGT-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM Cc1nsc(N(C)C(=O)c2csc(Cl)n2)c1-c1nnn[n-]1 ZINC001606140842 1351278370 /nfs/dbraw/zinc/27/83/70/1351278370.db2.gz HIXXXQIDRHBDQO-UHFFFAOYSA-N -1 1 341.809 2.018 20 0 EEADMM Cc1nsc(N(C)C(=O)c2csc(Cl)n2)c1-c1nn[n-]n1 ZINC001606140842 1351278374 /nfs/dbraw/zinc/27/83/74/1351278374.db2.gz HIXXXQIDRHBDQO-UHFFFAOYSA-N -1 1 341.809 2.018 20 0 EEADMM Cc1nsc(NC[C@@]2(CO)C[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001606158833 1351279209 /nfs/dbraw/zinc/27/92/09/1351279209.db2.gz PZYMUCSNHWGJJD-MLGOLLRUSA-N -1 1 342.428 2.210 20 0 EEADMM Clc1nsc(N[C@H]2CCOC23CCCC3)c1-c1nnn[n-]1 ZINC001606201258 1351284414 /nfs/dbraw/zinc/28/44/14/1351284414.db2.gz YTVOZWFNJMHTFU-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@H]2CCOC23CCCC3)c1-c1nn[n-]n1 ZINC001606201258 1351284418 /nfs/dbraw/zinc/28/44/18/1351284418.db2.gz YTVOZWFNJMHTFU-ZETCQYMHSA-N -1 1 326.813 2.490 20 0 EEADMM COC(=O)CC[C@@H](C(=O)[O-])N1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC001606447838 1351303365 /nfs/dbraw/zinc/30/33/65/1351303365.db2.gz ASEPIMHIANUTMY-YOEHRIQHSA-N -1 1 341.354 2.411 20 0 EEADMM COC(=O)c1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n2c1CCCC2 ZINC001606541486 1351319556 /nfs/dbraw/zinc/31/95/56/1351319556.db2.gz ARRDBYJTXPNEBX-OAHLLOKOSA-N -1 1 346.427 2.298 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)O[C@H]1C[C@@H](c2ccccc2)C1 ZINC001606598045 1351329413 /nfs/dbraw/zinc/32/94/13/1351329413.db2.gz LUGKYWNTVOHQHQ-GASCZTMLSA-N -1 1 335.367 2.294 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)O[C@H]1C[C@@H](c2ccccc2)C1 ZINC001606598045 1351329417 /nfs/dbraw/zinc/32/94/17/1351329417.db2.gz LUGKYWNTVOHQHQ-GASCZTMLSA-N -1 1 335.367 2.294 20 0 EEADMM CO[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2O)[C@](C)(C(=O)[O-])C1 ZINC001606765948 1351353970 /nfs/dbraw/zinc/35/39/70/1351353970.db2.gz WZPDMYPQRDLSPM-RTHLEPHNSA-N -1 1 347.289 2.115 20 0 EEADMM O=C(NCCCn1ccc2ccccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606775653 1351355466 /nfs/dbraw/zinc/35/54/66/1351355466.db2.gz AUEFGEXKQNBRTI-UHFFFAOYSA-N -1 1 347.382 2.037 20 0 EEADMM O=C(NCCCn1ccc2ccccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606775653 1351355473 /nfs/dbraw/zinc/35/54/73/1351355473.db2.gz AUEFGEXKQNBRTI-UHFFFAOYSA-N -1 1 347.382 2.037 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001606830688 1351363640 /nfs/dbraw/zinc/36/36/40/1351363640.db2.gz ABICNRCYKGLFIZ-LRDDRELGSA-N -1 1 343.387 2.429 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C(c1ccccc1)c1ccccc1 ZINC001606892732 1351370685 /nfs/dbraw/zinc/37/06/85/1351370685.db2.gz WYJDKGYYSIRQKH-UHFFFAOYSA-N -1 1 345.366 2.360 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C(c1ccccc1)c1ccccc1 ZINC001606892732 1351370689 /nfs/dbraw/zinc/37/06/89/1351370689.db2.gz WYJDKGYYSIRQKH-UHFFFAOYSA-N -1 1 345.366 2.360 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1C1CC1 ZINC001606915281 1351375133 /nfs/dbraw/zinc/37/51/33/1351375133.db2.gz JJNKRIZGCJUODL-SFYZADRCSA-N -1 1 349.192 2.009 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C1CC1 ZINC001606915281 1351375141 /nfs/dbraw/zinc/37/51/41/1351375141.db2.gz JJNKRIZGCJUODL-SFYZADRCSA-N -1 1 349.192 2.009 20 0 EEADMM O=C(Nc1ccc2c(n1)CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606928831 1351378840 /nfs/dbraw/zinc/37/88/40/1351378840.db2.gz DJKZCIPWFAPDNY-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1ccc2c(n1)CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606928831 1351378842 /nfs/dbraw/zinc/37/88/42/1351378842.db2.gz DJKZCIPWFAPDNY-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001606934176 1351379834 /nfs/dbraw/zinc/37/98/34/1351379834.db2.gz WPVGUWAOMIHJLD-IJLUTSLNSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001606934176 1351379837 /nfs/dbraw/zinc/37/98/37/1351379837.db2.gz WPVGUWAOMIHJLD-IJLUTSLNSA-N -1 1 327.392 2.352 20 0 EEADMM O=C1CCN1c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001607046161 1351403825 /nfs/dbraw/zinc/40/38/25/1351403825.db2.gz WWKFBHPWSRYCIF-UHFFFAOYSA-N -1 1 326.385 2.277 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CCSc1cccc(Cl)c1 ZINC001607091838 1351414969 /nfs/dbraw/zinc/41/49/69/1351414969.db2.gz WFNJHEODKJQXOW-UHFFFAOYSA-N -1 1 333.804 2.474 20 0 EEADMM c1oc(-c2nnn[n-]2)cc1-c1nc(C2(c3ccncc3)CCC2)no1 ZINC001607117657 1351425832 /nfs/dbraw/zinc/42/58/32/1351425832.db2.gz QFXRLEKDFQEQSY-UHFFFAOYSA-N -1 1 335.327 2.375 20 0 EEADMM c1oc(-c2nn[n-]n2)cc1-c1nc(C2(c3ccncc3)CCC2)no1 ZINC001607117657 1351425835 /nfs/dbraw/zinc/42/58/35/1351425835.db2.gz QFXRLEKDFQEQSY-UHFFFAOYSA-N -1 1 335.327 2.375 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1ncncc1-c1nnn[n-]1 ZINC001607132404 1351434168 /nfs/dbraw/zinc/43/41/68/1351434168.db2.gz GBZSCUOVONEYII-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1ncncc1-c1nn[n-]n1 ZINC001607132404 1351434169 /nfs/dbraw/zinc/43/41/69/1351434169.db2.gz GBZSCUOVONEYII-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM c1cc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)oc1-c1nn[n-]n1 ZINC001607138002 1351436297 /nfs/dbraw/zinc/43/62/97/1351436297.db2.gz MBNHKOPXQHPRJD-UHFFFAOYSA-N -1 1 348.282 2.227 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)n[nH]2)c1 ZINC001607301356 1351468732 /nfs/dbraw/zinc/46/87/32/1351468732.db2.gz NGOFCHXAOGDZCN-DGCLKSJQSA-N -1 1 343.383 2.411 20 0 EEADMM Cc1[nH]c(C(=O)[C@@H](C)N[C@H]2Cc3cccc(O)c3C2)c(C)c1C(=O)[O-] ZINC001607484821 1351502034 /nfs/dbraw/zinc/50/20/34/1351502034.db2.gz BHISHVWECGPLNZ-YPMHNXCESA-N -1 1 342.395 2.364 20 0 EEADMM Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001607527300 1351511026 /nfs/dbraw/zinc/51/10/26/1351511026.db2.gz RSXNGQPEBOWYPT-TZMCWYRMSA-N -1 1 330.384 2.467 20 0 EEADMM Cc1cc(CN(C)CCn2cc(Br)cn2)[nH]c1C(=O)[O-] ZINC001607635868 1351529971 /nfs/dbraw/zinc/52/99/71/1351529971.db2.gz KMJKVJPAGSOONR-UHFFFAOYSA-N -1 1 341.209 2.112 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2CCC[C@@H](C1)C2O ZINC001607741021 1351549999 /nfs/dbraw/zinc/54/99/99/1351549999.db2.gz SGWRHUHXMUMPBI-NTIGPLPUSA-N -1 1 346.427 2.113 20 0 EEADMM Cc1ccc([C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)C(=O)[O-])cc1C ZINC001607757550 1351553295 /nfs/dbraw/zinc/55/32/95/1351553295.db2.gz SUSDWWCLAKJGTQ-GFCCVEGCSA-N -1 1 332.322 2.087 20 0 EEADMM Cc1ccc2cc(CN3CC[C@]4(CC(C(=O)[O-])=NO4)C3)ccc2n1 ZINC001607833765 1351567988 /nfs/dbraw/zinc/56/79/88/1351567988.db2.gz ALMMSLJCBHIPQL-SFHVURJKSA-N -1 1 325.368 2.349 20 0 EEADMM Cc1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1C(F)(F)F ZINC001607839775 1351568879 /nfs/dbraw/zinc/56/88/79/1351568879.db2.gz XMHCQQQXRDKBBN-NSHDSACASA-N -1 1 341.289 2.163 20 0 EEADMM Cc1cccc(CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1Cl ZINC001607847664 1351570363 /nfs/dbraw/zinc/57/03/63/1351570363.db2.gz YYQFIJHBEKTWOX-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cn1cc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1C(=O)[O-] ZINC001608111769 1351627143 /nfs/dbraw/zinc/62/71/43/1351627143.db2.gz ATFFNNMSALOECM-IBGZPJMESA-N -1 1 340.379 2.333 20 0 EEADMM O=C([O-])c1cccc(CC(=O)OCc2nc[nH]c2C(F)(F)F)c1 ZINC001608367008 1351680125 /nfs/dbraw/zinc/68/01/25/1351680125.db2.gz WAFMBDIYMKGGGB-UHFFFAOYSA-N -1 1 328.246 2.413 20 0 EEADMM O=C([O-])[C@@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccc(F)cc1 ZINC001608372261 1351681017 /nfs/dbraw/zinc/68/10/17/1351681017.db2.gz LVBIWKGDHKTVTI-INIZCTEOSA-N -1 1 332.331 2.339 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)cc2)cc1 ZINC000026539843 1352371357 /nfs/dbraw/zinc/37/13/57/1352371357.db2.gz OPTSWVSCHYAOEA-UHFFFAOYSA-N -1 1 342.380 2.271 20 0 EEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2=O)cc1 ZINC000041379089 1352503639 /nfs/dbraw/zinc/50/36/39/1352503639.db2.gz BOQFTNOIMFFRCQ-UHFFFAOYSA-N -1 1 346.408 2.159 20 0 EEADMM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc([O-])cn1 ZINC001632090414 1352593789 /nfs/dbraw/zinc/59/37/89/1352593789.db2.gz QPGBIUKGMCCRQZ-UHFFFAOYSA-N -1 1 329.337 2.420 20 0 EEADMM Cc1nc([N-]C(=O)c2conc2C(F)(F)F)n(-c2ccccc2)n1 ZINC001635071949 1352640329 /nfs/dbraw/zinc/64/03/29/1352640329.db2.gz ADBHQCKSXUOSJW-UHFFFAOYSA-N -1 1 337.261 2.257 20 0 EEADMM Cn1nccc1CCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001641484319 1352721968 /nfs/dbraw/zinc/72/19/68/1352721968.db2.gz HGLFKPPNVBKMMO-UHFFFAOYSA-N -1 1 346.778 2.136 20 0 EEADMM Cn1nccc1CCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001641484319 1352721971 /nfs/dbraw/zinc/72/19/71/1352721971.db2.gz HGLFKPPNVBKMMO-UHFFFAOYSA-N -1 1 346.778 2.136 20 0 EEADMM Cc1cnc(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[n-]c1=O ZINC001643947702 1352755823 /nfs/dbraw/zinc/75/58/23/1352755823.db2.gz RFDZTHHHGGNQGZ-MRVPVSSYSA-N -1 1 345.384 2.192 20 0 EEADMM CC(C)[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)CC1 ZINC001646920825 1353047745 /nfs/dbraw/zinc/04/77/45/1353047745.db2.gz LWHJMWXDHCTDDS-AWEZNQCLSA-N -1 1 344.467 2.055 20 0 EEADMM CC(C)[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)CC1 ZINC001646920825 1353047750 /nfs/dbraw/zinc/04/77/50/1353047750.db2.gz LWHJMWXDHCTDDS-AWEZNQCLSA-N -1 1 344.467 2.055 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@@H]1CCO[C@H](C)C1 ZINC001647137754 1353158790 /nfs/dbraw/zinc/15/87/90/1353158790.db2.gz WHIJGMIQNQVVNU-GHMZBOCLSA-N -1 1 349.399 2.457 20 0 EEADMM C[C@@H]1[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)C1(F)F ZINC001649312499 1353473562 /nfs/dbraw/zinc/47/35/62/1353473562.db2.gz LTWSWEHAXKBOKH-ZVCUKBJDSA-N -1 1 345.712 2.099 20 0 EEADMM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649751995 1353585144 /nfs/dbraw/zinc/58/51/44/1353585144.db2.gz INFKFLVCLHSIKC-CWTRNNRKSA-N -1 1 344.363 2.378 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001650305917 1353837726 /nfs/dbraw/zinc/83/77/26/1353837726.db2.gz WBEDSISIIHXSIL-CYBMUJFWSA-N -1 1 344.467 2.199 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001650305917 1353837732 /nfs/dbraw/zinc/83/77/32/1353837732.db2.gz WBEDSISIIHXSIL-CYBMUJFWSA-N -1 1 344.467 2.199 20 0 EEADMM COc1cccc(CC2(C(=O)OCc3nn[n-]n3)CCCCC2)c1 ZINC001650483138 1353944490 /nfs/dbraw/zinc/94/44/90/1353944490.db2.gz UNZVSFZTQIFXNZ-UHFFFAOYSA-N -1 1 330.388 2.445 20 0 EEADMM O=S(=O)([N-]Cc1cccc(-c2cnco2)c1)c1c[nH]nc1Cl ZINC001655865763 1354187600 /nfs/dbraw/zinc/18/76/00/1354187600.db2.gz IPOZCPLATVUYDB-UHFFFAOYSA-N -1 1 338.776 2.197 20 0 EEADMM COc1cc(C(=O)N=c2ncnc3[nH][n-]c(C)c2-3)ccc1OC(C)C ZINC001187548557 1368249641 /nfs/dbraw/zinc/24/96/41/1368249641.db2.gz HRBQCTOAZJUPLJ-UHFFFAOYSA-N -1 1 341.371 2.083 20 0 EEADMM Cc1ccc(C(C)C)c(O)c1C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001188187295 1368285320 /nfs/dbraw/zinc/28/53/20/1368285320.db2.gz MPPUPKFTXPRHJW-UHFFFAOYSA-N -1 1 343.343 2.105 20 0 EEADMM CCCCCC[C@@](C)(CC)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001151685946 1368300409 /nfs/dbraw/zinc/30/04/09/1368300409.db2.gz SQLUJITYWGTWTN-MRXNPFEDSA-N -1 1 325.457 2.103 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cnc3n[nH]c(C)c3c2)c(OC)c1 ZINC001190110880 1368394719 /nfs/dbraw/zinc/39/47/19/1368394719.db2.gz ZZCJYXJKCIQEBG-UHFFFAOYSA-N -1 1 328.328 2.241 20 0 EEADMM CCOC(=O)NC(=S)[N-]c1c(C(C)=O)ccc(OC)c1OC ZINC001195487301 1368540672 /nfs/dbraw/zinc/54/06/72/1368540672.db2.gz QUUMDVVSPWWHTF-UHFFFAOYSA-N -1 1 326.374 2.349 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757404 1369298484 /nfs/dbraw/zinc/29/84/84/1369298484.db2.gz DHKVPMLGVWJRCF-VWYCJHECSA-N -1 1 338.370 2.106 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C(C1CC1)C1CC1)NC(=O)c1ncccc1[O-] ZINC001413703443 1370535246 /nfs/dbraw/zinc/53/52/46/1370535246.db2.gz NPMZEYVXNQBNRC-VXGBXAGGSA-N -1 1 345.443 2.237 20 0 EEADMM O=C(c1ncccc1[O-])N1CC2(C1)CCN(CC=C(Cl)Cl)C2 ZINC001072653696 1370771170 /nfs/dbraw/zinc/77/11/70/1370771170.db2.gz OHLCMVNCQNOEMP-UHFFFAOYSA-N -1 1 342.226 2.254 20 0 EEADMM CCO[C@H]1C[C@@](CO)(NC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000781872595 1371252666 /nfs/dbraw/zinc/25/26/66/1371252666.db2.gz IVMNHSXJBFZNGI-LRDDRELGSA-N -1 1 327.808 2.342 20 0 EEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)N(C)C ZINC000798821698 1371614118 /nfs/dbraw/zinc/61/41/18/1371614118.db2.gz KEQARQAGZDOPFK-MRXNPFEDSA-N -1 1 336.457 2.006 20 0 EEADMM O=C(CCCOc1cccc(Cl)c1Cl)OCc1nn[n-]n1 ZINC001123018740 1372087115 /nfs/dbraw/zinc/08/71/15/1372087115.db2.gz MJJUFEPRVASMMA-UHFFFAOYSA-N -1 1 331.159 2.409 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCc3ncncc3C2)c1 ZINC000829964525 1372302807 /nfs/dbraw/zinc/30/28/07/1372302807.db2.gz ZYOTVYVHPAPKNC-HNNXBMFYSA-N -1 1 340.379 2.276 20 0 EEADMM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c[nH]nc2Cl)c1 ZINC000830703640 1372344020 /nfs/dbraw/zinc/34/40/20/1372344020.db2.gz HAIUUFRSAVQAKL-JTQLQIEISA-N -1 1 329.809 2.117 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000830801606 1372351333 /nfs/dbraw/zinc/35/13/33/1372351333.db2.gz MWWOESZSCUMFOG-NHYWBVRUSA-N -1 1 348.365 2.195 20 0 EEADMM Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1nc(Br)ccc1[O-] ZINC000834298648 1372543310 /nfs/dbraw/zinc/54/33/10/1372543310.db2.gz VDCFFQJVIYRSJU-HTQZYQBOSA-N -1 1 337.177 2.025 20 0 EEADMM CCSc1cc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)ccn1 ZINC001347175382 1372974407 /nfs/dbraw/zinc/97/44/07/1372974407.db2.gz WVWAVQCZLFCOPC-UHFFFAOYSA-N -1 1 336.442 2.216 20 0 EEADMM CCOC(=O)C[C@@](C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001362377343 1373398797 /nfs/dbraw/zinc/39/87/97/1373398797.db2.gz OGCVODMJPGMCON-QGZVFWFLSA-N -1 1 335.404 2.157 20 0 EEADMM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1ccc([O-])cn1 ZINC001362486332 1373421346 /nfs/dbraw/zinc/42/13/46/1373421346.db2.gz GXRDFWAGUMTQBQ-UHFFFAOYSA-N -1 1 340.383 2.129 20 0 EEADMM C[C@H](COc1ccc(F)cc1)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001365052304 1373658171 /nfs/dbraw/zinc/65/81/71/1373658171.db2.gz YGMQWXNAKKULCV-LLVKDONJSA-N -1 1 343.362 2.070 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccc(Cl)cc1 ZINC001369831146 1374671284 /nfs/dbraw/zinc/67/12/84/1374671284.db2.gz LNXJRXIASIYQGK-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccco1 ZINC001370060947 1374776849 /nfs/dbraw/zinc/77/68/49/1374776849.db2.gz BAQQRTCIEVQVQM-CYBMUJFWSA-N -1 1 345.399 2.028 20 0 EEADMM CCCc1nc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001375030565 1377298489 /nfs/dbraw/zinc/29/84/89/1377298489.db2.gz FFCJSLFEWXKVFM-GFCCVEGCSA-N -1 1 348.472 2.447 20 0 EEADMM O=C(CCCC1CC1)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001375527532 1377819049 /nfs/dbraw/zinc/81/90/49/1377819049.db2.gz RLKFOPHLLNZVJU-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(NCC[N@H+](Cc1ccc(F)c(F)c1)C1CC1)c1ncccc1[O-] ZINC001377525005 1379334071 /nfs/dbraw/zinc/33/40/71/1379334071.db2.gz SYFMKZYETCAYOV-UHFFFAOYSA-N -1 1 347.365 2.460 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-] ZINC001390386311 1388617582 /nfs/dbraw/zinc/61/75/82/1388617582.db2.gz WDAPPXYKNDMQQT-SJKOYZFVSA-N -1 1 339.411 2.330 20 0 EEADMM CC[C@H](CNC(=O)CC(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001390448512 1388639395 /nfs/dbraw/zinc/63/93/95/1388639395.db2.gz GIIJACIRFQAVCW-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC1(C)C ZINC001383228068 1382404079 /nfs/dbraw/zinc/40/40/79/1382404079.db2.gz UMZNGBLZSNKCBB-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CCN(C(=O)c1cc(C)[nH]c1C)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001383719432 1382686256 /nfs/dbraw/zinc/68/62/56/1382686256.db2.gz YRDNKJGHJAXQSH-GFCCVEGCSA-N -1 1 344.415 2.013 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001384354586 1382892011 /nfs/dbraw/zinc/89/20/11/1382892011.db2.gz CONODUYFUUUYPQ-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM CC[C@H](C)CCC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001384439978 1382956464 /nfs/dbraw/zinc/95/64/64/1382956464.db2.gz FQRWNEIKQCCNFX-HSBZDZAISA-N -1 1 333.432 2.333 20 0 EEADMM O=C(CC1CCCCC1)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219671 1386577016 /nfs/dbraw/zinc/57/70/16/1386577016.db2.gz CSCHTBBWEPBFFL-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])[C@H]1CC12CC2 ZINC001391475917 1389384399 /nfs/dbraw/zinc/38/43/99/1389384399.db2.gz CLENROZXFJMUMB-UONOGXRCSA-N -1 1 343.427 2.088 20 0 EEADMM CC1(CNC(=O)C2=CCCC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001394486114 1390711107 /nfs/dbraw/zinc/71/11/07/1390711107.db2.gz OPUOUXXRPKQQME-UHFFFAOYSA-N -1 1 343.427 2.256 20 0 EEADMM C[C@H](CNC(=O)c1cccc(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC001395161469 1390796175 /nfs/dbraw/zinc/79/61/75/1390796175.db2.gz BAAFKDCQAOQEBG-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CC[C@H](CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001396918808 1390989768 /nfs/dbraw/zinc/98/97/68/1390989768.db2.gz UYYXEFTXLDBWKP-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(CCNC(=O)[C@@H](C)C1CCCC1)C(=O)c1ncccc1[O-] ZINC001398151764 1391751009 /nfs/dbraw/zinc/75/10/09/1391751009.db2.gz RTKBQPLGRYAMFO-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-])C(C)C ZINC001398828736 1394211201 /nfs/dbraw/zinc/21/12/01/1394211201.db2.gz IWJPSTNEGQMPFI-SOUVJXGZSA-N -1 1 345.443 2.285 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)C(C)(C)C1CCC1 ZINC001399359131 1395004616 /nfs/dbraw/zinc/00/46/16/1395004616.db2.gz VCRLDSOUJNXFJL-GFCCVEGCSA-N -1 1 333.432 2.096 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])Cc1cc(Cl)ccc1F ZINC001399447189 1395101347 /nfs/dbraw/zinc/10/13/47/1395101347.db2.gz FKBUWRIUXWUIGT-UHFFFAOYSA-N -1 1 337.782 2.442 20 0 EEADMM Cc1cc(C)cc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)c1 ZINC001400663958 1396508900 /nfs/dbraw/zinc/50/89/00/1396508900.db2.gz HLOGWQIJWRGAGT-UHFFFAOYSA-N -1 1 339.395 2.096 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001425714283 1401755171 /nfs/dbraw/zinc/75/51/71/1401755171.db2.gz SHGJNFWXHTZPQQ-UONOGXRCSA-N -1 1 333.432 2.238 20 0 EEADMM CCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])CCC1 ZINC001426280301 1402017145 /nfs/dbraw/zinc/01/71/45/1402017145.db2.gz CLBJIFSTOMNQLS-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCCC1(C)C ZINC001429223822 1402933833 /nfs/dbraw/zinc/93/38/33/1402933833.db2.gz GPMFFEBFNMECPJ-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCOc1cccc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)n1 ZINC001434743179 1403486166 /nfs/dbraw/zinc/48/61/66/1403486166.db2.gz WXGKUNHUQMLCFH-UHFFFAOYSA-N -1 1 335.389 2.020 20 0 EEADMM CC(C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccnc1 ZINC001573983306 1403518650 /nfs/dbraw/zinc/51/86/50/1403518650.db2.gz YXNVOWMJAVPYKO-CQSZACIVSA-N -1 1 342.428 2.379 20 0 EEADMM CCCC(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577190032 1403624952 /nfs/dbraw/zinc/62/49/52/1403624952.db2.gz BXYLCRPBUAVSAF-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CCC[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577282988 1403635350 /nfs/dbraw/zinc/63/53/50/1403635350.db2.gz VTTHVRCRWDJUGT-INTQDDNPSA-N -1 1 349.464 2.127 20 0 EEADMM CCCCC(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577421400 1403650139 /nfs/dbraw/zinc/65/01/39/1403650139.db2.gz MKZNLRLEGXRNPA-UHFFFAOYSA-N -1 1 349.464 2.129 20 0 EEADMM COC(=O)c1ccc(NC[C@H]2C[C@H]2C2CCCC2)c(-c2nnn[n-]2)n1 ZINC001579483635 1403783997 /nfs/dbraw/zinc/78/39/97/1403783997.db2.gz IGUSAYVTTANVRI-NEPJUHHUSA-N -1 1 342.403 2.287 20 0 EEADMM COC(=O)c1ccc(NC[C@H]2C[C@H]2C2CCCC2)c(-c2nn[n-]n2)n1 ZINC001579483635 1403784004 /nfs/dbraw/zinc/78/40/04/1403784004.db2.gz IGUSAYVTTANVRI-NEPJUHHUSA-N -1 1 342.403 2.287 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1C ZINC001579483901 1403784331 /nfs/dbraw/zinc/78/43/31/1403784331.db2.gz MKWAAAZGJBZSTI-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1C ZINC001579483901 1403784340 /nfs/dbraw/zinc/78/43/40/1403784340.db2.gz MKWAAAZGJBZSTI-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)c(-c2nnn[n-]2)n1 ZINC001579484385 1403784562 /nfs/dbraw/zinc/78/45/62/1403784562.db2.gz CUWZVRTVCQDJGF-UHFFFAOYSA-N -1 1 339.311 2.043 20 0 EEADMM COC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)c(-c2nn[n-]n2)n1 ZINC001579484385 1403784568 /nfs/dbraw/zinc/78/45/68/1403784568.db2.gz CUWZVRTVCQDJGF-UHFFFAOYSA-N -1 1 339.311 2.043 20 0 EEADMM COc1ncc(NC(=O)c2csc(C)c2C)cc1-c1nn[n-]n1 ZINC001580139845 1403834166 /nfs/dbraw/zinc/83/41/66/1403834166.db2.gz LUSUEUAELKFJTP-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM CS[C@@H](C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001580174417 1403841272 /nfs/dbraw/zinc/84/12/72/1403841272.db2.gz FHDKNHLRWPTEMD-GFCCVEGCSA-N -1 1 346.441 2.044 20 0 EEADMM CS[C@@H](C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001580174417 1403841276 /nfs/dbraw/zinc/84/12/76/1403841276.db2.gz FHDKNHLRWPTEMD-GFCCVEGCSA-N -1 1 346.441 2.044 20 0 EEADMM COc1cccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001591638523 1403931018 /nfs/dbraw/zinc/93/10/18/1403931018.db2.gz SXBSIARZLNIDLV-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2OCCc3sccc32)n1 ZINC001591890913 1403969486 /nfs/dbraw/zinc/96/94/86/1403969486.db2.gz OFBBTIPJCTUXST-ZANVPECISA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2OCCc3sccc32)n1 ZINC001591890913 1403969490 /nfs/dbraw/zinc/96/94/90/1403969490.db2.gz OFBBTIPJCTUXST-ZANVPECISA-N -1 1 343.416 2.141 20 0 EEADMM Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592243920 1404013125 /nfs/dbraw/zinc/01/31/25/1404013125.db2.gz HRMMOCLRZMEERK-INIZCTEOSA-N -1 1 348.410 2.306 20 0 EEADMM Cc1cccc2c1CCC[C@@H]2NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592243920 1404013134 /nfs/dbraw/zinc/01/31/34/1404013134.db2.gz HRMMOCLRZMEERK-INIZCTEOSA-N -1 1 348.410 2.306 20 0 EEADMM Cc1cscc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001592324346 1404018586 /nfs/dbraw/zinc/01/85/86/1404018586.db2.gz IBUYOCGBWRHOQC-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1cscc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001592324346 1404018592 /nfs/dbraw/zinc/01/85/92/1404018592.db2.gz IBUYOCGBWRHOQC-UHFFFAOYSA-N -1 1 331.405 2.440 20 0 EEADMM Cc1nc(NC[C@H](C)Oc2cccc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001592384976 1404027467 /nfs/dbraw/zinc/02/74/67/1404027467.db2.gz XGQWFVYIRIJWPI-VIFPVBQESA-N -1 1 345.794 2.498 20 0 EEADMM Cc1nc(NC[C@H](C)Oc2cccc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001592384976 1404027476 /nfs/dbraw/zinc/02/74/76/1404027476.db2.gz XGQWFVYIRIJWPI-VIFPVBQESA-N -1 1 345.794 2.498 20 0 EEADMM Cc1noc(Cc2ccc(NCc3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC001592462115 1404698712 /nfs/dbraw/zinc/69/87/12/1404698712.db2.gz AYABXENQKOMUOG-UHFFFAOYSA-N -1 1 348.370 2.156 20 0 EEADMM Cc1noc(Cc2ccc(NCc3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC001592462115 1404698726 /nfs/dbraw/zinc/69/87/26/1404698726.db2.gz AYABXENQKOMUOG-UHFFFAOYSA-N -1 1 348.370 2.156 20 0 EEADMM Cc1nsc(NC(=O)Nc2cn(C)nc2C(C)C)c1-c1nnn[n-]1 ZINC001592481812 1404700797 /nfs/dbraw/zinc/70/07/97/1404700797.db2.gz IKZUVAMQNRUNAZ-UHFFFAOYSA-N -1 1 347.408 2.133 20 0 EEADMM Cc1nsc(NC(=O)Nc2cn(C)nc2C(C)C)c1-c1nn[n-]n1 ZINC001592481812 1404700805 /nfs/dbraw/zinc/70/08/05/1404700805.db2.gz IKZUVAMQNRUNAZ-UHFFFAOYSA-N -1 1 347.408 2.133 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC001592499256 1404704089 /nfs/dbraw/zinc/70/40/89/1404704089.db2.gz KJAARJQNSRYNHB-UHFFFAOYSA-N -1 1 345.403 2.334 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOC2(C1)CCCCCC2 ZINC001592499256 1404704097 /nfs/dbraw/zinc/70/40/97/1404704097.db2.gz KJAARJQNSRYNHB-UHFFFAOYSA-N -1 1 345.403 2.334 20 0 EEADMM Fc1nc(F)c(F)c(NCc2ccc(-c3nn[n-]n3)s2)c1F ZINC001592662354 1404708037 /nfs/dbraw/zinc/70/80/37/1404708037.db2.gz BIHSRDGMHSALHP-UHFFFAOYSA-N -1 1 330.270 2.492 20 0 EEADMM Cc1cc(N2CCO[C@H](c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700521 1404750411 /nfs/dbraw/zinc/75/04/11/1404750411.db2.gz UTYADIPCTPNUPD-INIZCTEOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(N2CCO[C@H](c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700521 1404750417 /nfs/dbraw/zinc/75/04/17/1404750417.db2.gz UTYADIPCTPNUPD-INIZCTEOSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nn[n-]n1 ZINC001606014997 1404754822 /nfs/dbraw/zinc/75/48/22/1404754822.db2.gz WMCOEMXIENLLHS-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1-c1ccccc1 ZINC001606014570 1404754891 /nfs/dbraw/zinc/75/48/91/1404754891.db2.gz KSJQLCZENSNTJS-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1-c1ccccc1 ZINC001606014570 1404754893 /nfs/dbraw/zinc/75/48/93/1404754893.db2.gz KSJQLCZENSNTJS-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM 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CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CO)C2CC2)c([O-])c1 ZINC000771025173 577608081 /nfs/dbraw/zinc/60/80/81/577608081.db2.gz ICPJGFMBCSSEDM-CYBMUJFWSA-N -1 1 336.388 2.240 20 0 EEADMM CCOc1cc(C(=O)N2CCCC3(C2)OCCO3)cc(Cl)c1[O-] ZINC000762621681 577704646 /nfs/dbraw/zinc/70/46/46/577704646.db2.gz JMQOJPCKPIZEIW-UHFFFAOYSA-N -1 1 341.791 2.423 20 0 EEADMM O=C(OC[C@H]1CC2(CC2)C(=O)O1)c1ccc(Br)c([O-])c1 ZINC000763227870 577717258 /nfs/dbraw/zinc/71/72/58/577717258.db2.gz QLCUIQJSIWLEPD-SECBINFHSA-N -1 1 341.157 2.407 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000750944883 577745669 /nfs/dbraw/zinc/74/56/69/577745669.db2.gz XSZKCBNOYJNSJN-UHFFFAOYSA-N -1 1 346.364 2.426 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)C(F)(F)C1(O)CCC1 ZINC000753415215 577787013 /nfs/dbraw/zinc/78/70/13/577787013.db2.gz HRJZXNSUBVPLIP-UHFFFAOYSA-N -1 1 340.278 2.092 20 0 EEADMM O=C(OCCCO)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000744474479 577898372 /nfs/dbraw/zinc/89/83/72/577898372.db2.gz QKARGKLIJREEDK-UHFFFAOYSA-N -1 1 335.381 2.027 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](SC)C2)o1 ZINC000748067551 577954473 /nfs/dbraw/zinc/95/44/73/577954473.db2.gz PGLZKZUHEOSGAG-NXEZZACHSA-N -1 1 333.431 2.019 20 0 EEADMM Cc1cccc([C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C(C)(C)C)c1 ZINC000749509858 577977423 /nfs/dbraw/zinc/97/74/23/577977423.db2.gz UWAFXDQYYSCEOV-MRXNPFEDSA-N -1 1 343.427 2.139 20 0 EEADMM O=C([O-])c1cccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000739451204 578054087 /nfs/dbraw/zinc/05/40/87/578054087.db2.gz ZXJIQFGMBMMPCN-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM O=C([O-])c1cccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000739451204 578054088 /nfs/dbraw/zinc/05/40/88/578054088.db2.gz ZXJIQFGMBMMPCN-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CN1C[C@H](c3cccc(F)c3)CC1=O)CC2 ZINC000739532538 578057053 /nfs/dbraw/zinc/05/70/53/578057053.db2.gz MPPPVVJVUALVSN-ZBFHGGJFSA-N -1 1 346.402 2.286 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000740016915 578077321 /nfs/dbraw/zinc/07/73/21/578077321.db2.gz CMHWCGUDHQEEMZ-UHFFFAOYSA-N -1 1 346.431 2.056 20 0 EEADMM CC(C)COc1ccc(NC(=O)N2CCC(c3nn[n-]n3)CC2)cn1 ZINC000735844070 578170887 /nfs/dbraw/zinc/17/08/87/578170887.db2.gz GRQKWNBUALGDQP-UHFFFAOYSA-N -1 1 345.407 2.041 20 0 EEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736140844 578182947 /nfs/dbraw/zinc/18/29/47/578182947.db2.gz DKJFTZMJUSBMFT-GOSISDBHSA-N -1 1 347.382 2.130 20 0 EEADMM C[C@@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736140844 578182948 /nfs/dbraw/zinc/18/29/48/578182948.db2.gz DKJFTZMJUSBMFT-GOSISDBHSA-N -1 1 347.382 2.130 20 0 EEADMM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1c([O-])cccc1F ZINC000736166909 578184064 /nfs/dbraw/zinc/18/40/64/578184064.db2.gz AJKDEJMOGNYDRA-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCSC)c(F)c1 ZINC000736347109 578197891 /nfs/dbraw/zinc/19/78/91/578197891.db2.gz SBKZZHDSYJVHPR-QMMMGPOBSA-N -1 1 325.402 2.393 20 0 EEADMM C[C@H]1CCCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000736796736 578224130 /nfs/dbraw/zinc/22/41/30/578224130.db2.gz ZBIUJRJJODLQJT-GUYCJALGSA-N -1 1 343.427 2.012 20 0 EEADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816231 578225356 /nfs/dbraw/zinc/22/53/56/578225356.db2.gz AZPPXZLTQGHHIB-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816231 578225357 /nfs/dbraw/zinc/22/53/57/578225357.db2.gz AZPPXZLTQGHHIB-UHFFFAOYSA-N -1 1 328.763 2.187 20 0 EEADMM CCC[C@](C)(NCC(=O)NC(=O)Nc1ccc(C)cc1C)C(=O)[O-] ZINC000736961357 578231280 /nfs/dbraw/zinc/23/12/80/578231280.db2.gz AMBCHMMSMJXSLV-KRWDZBQOSA-N -1 1 335.404 2.185 20 0 EEADMM CCC[C@@](C)(NCC(=O)NC(=O)Nc1cccc(C)c1C)C(=O)[O-] ZINC000736962936 578231408 /nfs/dbraw/zinc/23/14/08/578231408.db2.gz HAIMZSVYQQJHGE-QGZVFWFLSA-N -1 1 335.404 2.185 20 0 EEADMM CCC[C@](C)(NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC000736965178 578231619 /nfs/dbraw/zinc/23/16/19/578231619.db2.gz UFKAOVJUHQPOBU-GTNSWQLSSA-N -1 1 342.386 2.245 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737073332 578236480 /nfs/dbraw/zinc/23/64/80/578236480.db2.gz BJFSRSWTVQJSDC-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737073332 578236481 /nfs/dbraw/zinc/23/64/81/578236481.db2.gz BJFSRSWTVQJSDC-LLVKDONJSA-N -1 1 338.371 2.070 20 0 EEADMM COc1ccc(C[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737087397 578237378 /nfs/dbraw/zinc/23/73/78/578237378.db2.gz NCHGNNYMEXOKHF-NSHDSACASA-N -1 1 339.355 2.058 20 0 EEADMM COc1ccc(C[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737087397 578237379 /nfs/dbraw/zinc/23/73/79/578237379.db2.gz NCHGNNYMEXOKHF-NSHDSACASA-N -1 1 339.355 2.058 20 0 EEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1O ZINC000737095254 578237786 /nfs/dbraw/zinc/23/77/86/578237786.db2.gz FLFCXCYQIGTEEY-UHFFFAOYSA-N -1 1 349.354 2.136 20 0 EEADMM COc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1O ZINC000737095254 578237787 /nfs/dbraw/zinc/23/77/87/578237787.db2.gz FLFCXCYQIGTEEY-UHFFFAOYSA-N -1 1 349.354 2.136 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccsc1 ZINC000737358488 578252482 /nfs/dbraw/zinc/25/24/82/578252482.db2.gz NKTYBXGZCZEROI-UBHUBRDASA-N -1 1 339.461 2.293 20 0 EEADMM CN(Cc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000737484269 578260188 /nfs/dbraw/zinc/26/01/88/578260188.db2.gz XYWHVWLAGDEDJT-OAHLLOKOSA-N -1 1 332.404 2.108 20 0 EEADMM O=C1OCCN1c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000823551234 607310181 /nfs/dbraw/zinc/31/01/81/607310181.db2.gz JWORRBGSECIPDW-UHFFFAOYSA-N -1 1 326.316 2.028 20 0 EEADMM O=C1OCCN1c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000823551234 607310182 /nfs/dbraw/zinc/31/01/82/607310182.db2.gz JWORRBGSECIPDW-UHFFFAOYSA-N -1 1 326.316 2.028 20 0 EEADMM CC(C)C[C@@H](CCO)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820054601 599686365 /nfs/dbraw/zinc/68/63/65/599686365.db2.gz CEPWTASENRKIAU-MRVPVSSYSA-N -1 1 330.845 2.433 20 0 EEADMM CC(C)C[C@@H](CCO)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820054601 599686366 /nfs/dbraw/zinc/68/63/66/599686366.db2.gz CEPWTASENRKIAU-MRVPVSSYSA-N -1 1 330.845 2.433 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1OC ZINC000831892637 600970828 /nfs/dbraw/zinc/97/08/28/600970828.db2.gz VCNSRQMAZNZOKQ-QWRGUYRKSA-N -1 1 336.388 2.213 20 0 EEADMM C[C@@H](c1ccccc1)N(C)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000320141478 601012485 /nfs/dbraw/zinc/01/24/85/601012485.db2.gz HXPVACABBVTCEJ-ZFWWWQNUSA-N -1 1 336.457 2.098 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000827354274 601107344 /nfs/dbraw/zinc/10/73/44/601107344.db2.gz CTIREXVGKKPBFY-IRBQFCFKSA-N -1 1 336.819 2.361 20 0 EEADMM Cc1cc(C)c(CCNC(=O)CN[C@](C)(C(=O)[O-])C2CC2)c(C)c1 ZINC000832876965 601172707 /nfs/dbraw/zinc/17/27/07/601172707.db2.gz GAFFBAIMNJOBGI-IBGZPJMESA-N -1 1 332.444 2.113 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828441400 601509714 /nfs/dbraw/zinc/50/97/14/601509714.db2.gz QCRTYTRABKGVEA-DZGCQCFKSA-N -1 1 348.447 2.054 20 0 EEADMM C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828355529 601801854 /nfs/dbraw/zinc/80/18/54/601801854.db2.gz YHWKTJPVWIAQKY-KFWWJZLASA-N -1 1 349.431 2.169 20 0 EEADMM O=S(=O)(Cc1cccc(Cl)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486722 607531703 /nfs/dbraw/zinc/53/17/03/607531703.db2.gz OEOQCNQUFSMKTA-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM O=S(=O)(Cc1cccc(Cl)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486722 607531705 /nfs/dbraw/zinc/53/17/05/607531705.db2.gz OEOQCNQUFSMKTA-UHFFFAOYSA-N -1 1 349.803 2.030 20 0 EEADMM C[C@@H](CC(=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000827324351 602177055 /nfs/dbraw/zinc/17/70/55/602177055.db2.gz DAZPJZYPOPSFRZ-LURJTMIESA-N -1 1 326.150 2.375 20 0 EEADMM COc1ccc(OC(F)F)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826210962 607549275 /nfs/dbraw/zinc/54/92/75/607549275.db2.gz KTQJPGLWRVDNPK-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM COc1ccc(OC(F)F)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826210962 607549277 /nfs/dbraw/zinc/54/92/77/607549277.db2.gz KTQJPGLWRVDNPK-UHFFFAOYSA-N -1 1 348.313 2.484 20 0 EEADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000833318446 602202119 /nfs/dbraw/zinc/20/21/19/602202119.db2.gz PFNYLVPAKGFIIO-UHFFFAOYSA-N -1 1 329.280 2.169 20 0 EEADMM CC[C@]1(C)CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C1 ZINC000829050397 602239825 /nfs/dbraw/zinc/23/98/25/602239825.db2.gz QKCNZUWIWAQDEP-GOSISDBHSA-N -1 1 348.399 2.232 20 0 EEADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000827007110 604441407 /nfs/dbraw/zinc/44/14/07/604441407.db2.gz SIJVGXJZPDYCGL-CQSZACIVSA-N -1 1 331.372 2.027 20 0 EEADMM Cc1cc(F)ccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832889493 604623057 /nfs/dbraw/zinc/62/30/57/604623057.db2.gz LYPJDXVXEJFAPL-UHFFFAOYSA-N -1 1 344.389 2.409 20 0 EEADMM C[C@@H](CN(CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1)C(=O)[O-] ZINC000827449679 604742223 /nfs/dbraw/zinc/74/22/23/604742223.db2.gz NRBFGXOTKQLOEH-JTQLQIEISA-N -1 1 342.342 2.412 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n[nH]1 ZINC000832883772 604743641 /nfs/dbraw/zinc/74/36/41/604743641.db2.gz PEIAITDMCAYFBW-LBPRGKRZSA-N -1 1 345.399 2.159 20 0 EEADMM O=C(CCc1ccc(F)cc1F)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826408642 607722327 /nfs/dbraw/zinc/72/23/27/607722327.db2.gz PGRPCRRGBDZCHJ-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(CCc1ccc(F)cc1F)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826408642 607722328 /nfs/dbraw/zinc/72/23/28/607722328.db2.gz PGRPCRRGBDZCHJ-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C([O-])[C@H](Nc1ccc(CCN2CCOCC2)cc1)c1cccnc1 ZINC000833169090 604995675 /nfs/dbraw/zinc/99/56/75/604995675.db2.gz CDSWOAOBJNQYBW-GOSISDBHSA-N -1 1 341.411 2.194 20 0 EEADMM CN(CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)[C@@H]1CCSC1 ZINC000833690990 605049046 /nfs/dbraw/zinc/04/90/46/605049046.db2.gz GFVLJJSMSTXVSF-QWHCGFSZSA-N -1 1 334.441 2.029 20 0 EEADMM CC(C)Oc1cccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000833507173 605069656 /nfs/dbraw/zinc/06/96/56/605069656.db2.gz XKKUIQCZDNUHTE-AWEZNQCLSA-N -1 1 348.443 2.448 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1N1CCOCC1 ZINC000833696022 605102495 /nfs/dbraw/zinc/10/24/95/605102495.db2.gz CUEKBOJNBVFFKK-UHFFFAOYSA-N -1 1 329.400 2.182 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000833637749 605143357 /nfs/dbraw/zinc/14/33/57/605143357.db2.gz GBKBNVAODWAHJL-USBNGQNGSA-N -1 1 340.395 2.100 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000833624459 605155829 /nfs/dbraw/zinc/15/58/29/605155829.db2.gz IKAZFCBLSXGTPX-CQSZACIVSA-N -1 1 341.411 2.303 20 0 EEADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000833466349 605160945 /nfs/dbraw/zinc/16/09/45/605160945.db2.gz XIDMYNZDQMFCQX-YJBOKZPZSA-N -1 1 332.444 2.434 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(C(=O)[O-])c1 ZINC000833751016 605188800 /nfs/dbraw/zinc/18/88/00/605188800.db2.gz MHMCTNJGZMFILY-UHFFFAOYSA-N -1 1 333.369 2.161 20 0 EEADMM CN(C(=O)c1cnc[nH]1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833688870 605220321 /nfs/dbraw/zinc/22/03/21/605220321.db2.gz ZFPJCRZTESOLRB-NSHDSACASA-N -1 1 338.161 2.070 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1F ZINC000833512923 605278232 /nfs/dbraw/zinc/27/82/32/605278232.db2.gz CARRYTIKJOLUDG-KBPBESRZSA-N -1 1 336.407 2.327 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833478743 605289547 /nfs/dbraw/zinc/28/95/47/605289547.db2.gz VKKNEZLAFBSSJS-QMTHXVAHSA-N -1 1 328.359 2.231 20 0 EEADMM Cc1cccc([C@H]2CC(=O)N(CN(C[C@H](C)C(=O)[O-])C3CC3)C2)c1 ZINC000833752620 605348073 /nfs/dbraw/zinc/34/80/73/605348073.db2.gz ONXMQUWZFVIPCA-HOCLYGCPSA-N -1 1 330.428 2.454 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](c2ccc(C)cc2)C1)C(=O)[O-] ZINC000833638966 605422404 /nfs/dbraw/zinc/42/24/04/605422404.db2.gz LVHGNGQYQJBBEX-YXJHDRRASA-N -1 1 332.444 2.400 20 0 EEADMM CC(C)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccn1 ZINC000824319195 607767816 /nfs/dbraw/zinc/76/78/16/607767816.db2.gz IROGZQOPBLAXLR-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccn1 ZINC000824319195 607767817 /nfs/dbraw/zinc/76/78/17/607767817.db2.gz IROGZQOPBLAXLR-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1 ZINC000820511856 606131577 /nfs/dbraw/zinc/13/15/77/606131577.db2.gz DIHOJKZUOBRTRX-SECBINFHSA-N -1 1 328.353 2.356 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccccc1 ZINC000820511856 606131578 /nfs/dbraw/zinc/13/15/78/606131578.db2.gz DIHOJKZUOBRTRX-SECBINFHSA-N -1 1 328.353 2.356 20 0 EEADMM CN(CCOC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821603990 606180710 /nfs/dbraw/zinc/18/07/10/606180710.db2.gz YEYMPVXDYXAHGF-UHFFFAOYSA-N -1 1 329.385 2.221 20 0 EEADMM CN(CCOC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000821603990 606180712 /nfs/dbraw/zinc/18/07/12/606180712.db2.gz YEYMPVXDYXAHGF-UHFFFAOYSA-N -1 1 329.385 2.221 20 0 EEADMM COCc1nc2cc(NCc3ccc(-c4nnn[n-]4)o3)ccc2o1 ZINC000821696921 606204071 /nfs/dbraw/zinc/20/40/71/606204071.db2.gz UMLFSAGJHMTXLJ-UHFFFAOYSA-N -1 1 326.316 2.359 20 0 EEADMM COCc1nc2cc(NCc3ccc(-c4nn[n-]n4)o3)ccc2o1 ZINC000821696921 606204072 /nfs/dbraw/zinc/20/40/72/606204072.db2.gz UMLFSAGJHMTXLJ-UHFFFAOYSA-N -1 1 326.316 2.359 20 0 EEADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(F)c1 ZINC000819866401 606294894 /nfs/dbraw/zinc/29/48/94/606294894.db2.gz MIWFABAURJTEOT-SECBINFHSA-N -1 1 327.319 2.454 20 0 EEADMM COc1cc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1O ZINC000821712079 606467211 /nfs/dbraw/zinc/46/72/11/606467211.db2.gz CLSUBVUPUCOGQG-UHFFFAOYSA-N -1 1 346.778 2.284 20 0 EEADMM COc1cc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1O ZINC000821712079 606467212 /nfs/dbraw/zinc/46/72/12/606467212.db2.gz CLSUBVUPUCOGQG-UHFFFAOYSA-N -1 1 346.778 2.284 20 0 EEADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(-c2nn[nH]n2)cs1 ZINC000823383688 606491157 /nfs/dbraw/zinc/49/11/57/606491157.db2.gz XWGYWCJVENLAFV-UHFFFAOYSA-N -1 1 347.307 2.051 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(Cl)sc1Cl ZINC000823290052 606533151 /nfs/dbraw/zinc/53/31/51/606533151.db2.gz SRIYGDVLPKKCGO-UHFFFAOYSA-N -1 1 330.160 2.210 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(Cl)sc1Cl ZINC000823290052 606533153 /nfs/dbraw/zinc/53/31/53/606533153.db2.gz SRIYGDVLPKKCGO-UHFFFAOYSA-N -1 1 330.160 2.210 20 0 EEADMM O=C(Nc1n[nH]c2ccc(F)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823375999 606551162 /nfs/dbraw/zinc/55/11/62/606551162.db2.gz ULFRZDDEPNOVCE-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1n[nH]c2ccc(F)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823375999 606551164 /nfs/dbraw/zinc/55/11/64/606551164.db2.gz ULFRZDDEPNOVCE-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM C[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821942722 606563824 /nfs/dbraw/zinc/56/38/24/606563824.db2.gz PZXVIDUQVMWCNQ-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM C[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821942722 606563825 /nfs/dbraw/zinc/56/38/25/606563825.db2.gz PZXVIDUQVMWCNQ-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074285 606649101 /nfs/dbraw/zinc/64/91/01/606649101.db2.gz OKWMWSFBZLVKKU-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074285 606649102 /nfs/dbraw/zinc/64/91/02/606649102.db2.gz OKWMWSFBZLVKKU-UHFFFAOYSA-N -1 1 347.737 2.340 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2cccc2)cc1 ZINC000823436093 606650107 /nfs/dbraw/zinc/65/01/07/606650107.db2.gz GJUHWAOGGACRKY-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2cccc2)cc1 ZINC000823436093 606650108 /nfs/dbraw/zinc/65/01/08/606650108.db2.gz GJUHWAOGGACRKY-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2ccccc2)CCC1 ZINC000823431765 606652238 /nfs/dbraw/zinc/65/22/38/606652238.db2.gz VXWHATVPFKSRLN-UHFFFAOYSA-N -1 1 335.367 2.427 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2ccccc2)CCC1 ZINC000823431765 606652239 /nfs/dbraw/zinc/65/22/39/606652239.db2.gz VXWHATVPFKSRLN-UHFFFAOYSA-N -1 1 335.367 2.427 20 0 EEADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000821772774 606652607 /nfs/dbraw/zinc/65/26/07/606652607.db2.gz PAEYQGZMRXQAOH-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000821772774 606652608 /nfs/dbraw/zinc/65/26/08/606652608.db2.gz PAEYQGZMRXQAOH-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM C[C@@H](C[C@H]1CCOC1)Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820234571 607114260 /nfs/dbraw/zinc/11/42/60/607114260.db2.gz OHIOZMZDSGVTQC-WDEREUQCSA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@H](C[C@H]1CCOC1)Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820234571 607114262 /nfs/dbraw/zinc/11/42/62/607114262.db2.gz OHIOZMZDSGVTQC-WDEREUQCSA-N -1 1 325.376 2.037 20 0 EEADMM Cc1cccc([C@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822288921 607127643 /nfs/dbraw/zinc/12/76/43/607127643.db2.gz NFUBIUHQUNLXJX-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1cccc([C@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822288921 607127644 /nfs/dbraw/zinc/12/76/44/607127644.db2.gz NFUBIUHQUNLXJX-GFCCVEGCSA-N -1 1 330.779 2.369 20 0 EEADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000823171609 607163897 /nfs/dbraw/zinc/16/38/97/607163897.db2.gz XIMFIYFKKPEWFO-LALPHHSUSA-N -1 1 337.408 2.244 20 0 EEADMM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000823171609 607163899 /nfs/dbraw/zinc/16/38/99/607163899.db2.gz XIMFIYFKKPEWFO-LALPHHSUSA-N -1 1 337.408 2.244 20 0 EEADMM COc1ccc(CCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000821795215 607237428 /nfs/dbraw/zinc/23/74/28/607237428.db2.gz WCVDXTSUGKHNOA-UHFFFAOYSA-N -1 1 347.378 2.433 20 0 EEADMM Fc1cccc(OCCOCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000826377881 607866302 /nfs/dbraw/zinc/86/63/02/607866302.db2.gz KQGHWUMLNYAKDY-UHFFFAOYSA-N -1 1 344.346 2.480 20 0 EEADMM Fc1cccc(OCCOCCOc2ccccc2)c1-c1nn[n-]n1 ZINC000826377881 607866303 /nfs/dbraw/zinc/86/63/03/607866303.db2.gz KQGHWUMLNYAKDY-UHFFFAOYSA-N -1 1 344.346 2.480 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC000824358213 607897972 /nfs/dbraw/zinc/89/79/72/607897972.db2.gz CBLQINWLSUHGGR-NSHDSACASA-N -1 1 326.364 2.110 20 0 EEADMM CC(C)c1nc([C@@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC000824358213 607897973 /nfs/dbraw/zinc/89/79/73/607897973.db2.gz CBLQINWLSUHGGR-NSHDSACASA-N -1 1 326.364 2.110 20 0 EEADMM Cc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1C ZINC000826290345 607968711 /nfs/dbraw/zinc/96/87/11/607968711.db2.gz JWRUYQLPQAINFD-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1C ZINC000826290345 607968712 /nfs/dbraw/zinc/96/87/12/607968712.db2.gz JWRUYQLPQAINFD-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM O=C(CCOc1ccccc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826407804 607996863 /nfs/dbraw/zinc/99/68/63/607996863.db2.gz BTYGEKFSTFYJNL-UHFFFAOYSA-N -1 1 343.318 2.119 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826399925 607999498 /nfs/dbraw/zinc/99/94/98/607999498.db2.gz KHJKBPIRVOKKMD-KXFIGUGUSA-N -1 1 342.746 2.273 20 0 EEADMM CN(Cc1ccc(O)cc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825966089 608016081 /nfs/dbraw/zinc/01/60/81/608016081.db2.gz NMMBIZMZQGEJIZ-UHFFFAOYSA-N -1 1 333.355 2.152 20 0 EEADMM CN(Cc1ccc(O)cc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825966089 608016082 /nfs/dbraw/zinc/01/60/82/608016082.db2.gz NMMBIZMZQGEJIZ-UHFFFAOYSA-N -1 1 333.355 2.152 20 0 EEADMM CCOc1ccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825637961 608391125 /nfs/dbraw/zinc/39/11/25/608391125.db2.gz CXSWBIWETCIHNS-OAHLLOKOSA-N -1 1 337.387 2.397 20 0 EEADMM CCOc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825637961 608391127 /nfs/dbraw/zinc/39/11/27/608391127.db2.gz CXSWBIWETCIHNS-OAHLLOKOSA-N -1 1 337.387 2.397 20 0 EEADMM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1cccc(F)c1 ZINC000824962536 608426929 /nfs/dbraw/zinc/42/69/29/608426929.db2.gz VHVWVZZIUVKAQH-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1cccc(F)c1 ZINC000824962536 608426930 /nfs/dbraw/zinc/42/69/30/608426930.db2.gz VHVWVZZIUVKAQH-BMIGLBTASA-N -1 1 325.351 2.383 20 0 EEADMM Fc1ccc(CCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC000826374225 608433471 /nfs/dbraw/zinc/43/34/71/608433471.db2.gz QSIFDWLJTPMGJX-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(CCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC000826374225 608433473 /nfs/dbraw/zinc/43/34/73/608433473.db2.gz QSIFDWLJTPMGJX-UHFFFAOYSA-N -1 1 325.351 2.007 20 0 EEADMM CC(C)(C)OC(=O)c1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824113844 608893583 /nfs/dbraw/zinc/89/35/83/608893583.db2.gz FPJYERZXTOIYPN-UHFFFAOYSA-N -1 1 326.360 2.067 20 0 EEADMM CC(C)(C)OC(=O)c1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824113844 608893585 /nfs/dbraw/zinc/89/35/85/608893585.db2.gz FPJYERZXTOIYPN-UHFFFAOYSA-N -1 1 326.360 2.067 20 0 EEADMM CN(C[C@H]1CCCC[C@H]1O)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000825908315 609325261 /nfs/dbraw/zinc/32/52/61/609325261.db2.gz GOYBZHXVHSAJSB-SJKOYZFVSA-N -1 1 338.415 2.402 20 0 EEADMM CN(C[C@H]1CCCC[C@H]1O)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000825908315 609325263 /nfs/dbraw/zinc/32/52/63/609325263.db2.gz GOYBZHXVHSAJSB-SJKOYZFVSA-N -1 1 338.415 2.402 20 0 EEADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000824216660 609415589 /nfs/dbraw/zinc/41/55/89/609415589.db2.gz UTLNGODBQULPKZ-NHYWBVRUSA-N -1 1 345.403 2.352 20 0 EEADMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866848843 674647385 /nfs/dbraw/zinc/64/73/85/674647385.db2.gz PWLYYZQLACHOEW-VIFPVBQESA-N -1 1 341.260 2.464 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001020734904 675460617 /nfs/dbraw/zinc/46/06/17/675460617.db2.gz FEXJWRKCSISZAZ-DZGCQCFKSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1nc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)cs1 ZINC000947234963 675566898 /nfs/dbraw/zinc/56/68/98/675566898.db2.gz FDSKWINDRYOXCV-WCQYABFASA-N -1 1 346.456 2.335 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cncc([O-])c1)C2 ZINC000890752804 675575947 /nfs/dbraw/zinc/57/59/47/675575947.db2.gz GEGARFLUNNRKNP-UBHSHLNASA-N -1 1 347.415 2.305 20 0 EEADMM CCn1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1C1CC1 ZINC000891618115 676724678 /nfs/dbraw/zinc/72/46/78/676724678.db2.gz XLCRQSVGCNEGQE-UHFFFAOYSA-N -1 1 327.388 2.407 20 0 EEADMM COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)cc(=O)[n-]1 ZINC000892037076 677933352 /nfs/dbraw/zinc/93/33/52/677933352.db2.gz VWIRRRZVEYSUFB-UHFFFAOYSA-N -1 1 334.807 2.309 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1cncc(F)c1 ZINC000947232019 678583178 /nfs/dbraw/zinc/58/31/78/678583178.db2.gz RLGBGMGTIRUKNW-IUODEOHRSA-N -1 1 344.390 2.104 20 0 EEADMM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2nnn(C)n2)c1 ZINC000889072235 679128438 /nfs/dbraw/zinc/12/84/38/679128438.db2.gz XMWMLKSOQWGCDP-UHFFFAOYSA-N -1 1 331.323 2.425 20 0 EEADMM CCCCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1(C)C ZINC000176906911 679599223 /nfs/dbraw/zinc/59/92/23/679599223.db2.gz UANPSZQOJDLYNW-GHMZBOCLSA-N -1 1 349.884 2.336 20 0 EEADMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000177010574 679795370 /nfs/dbraw/zinc/79/53/70/679795370.db2.gz XZTHBRXZWAXVAZ-UHFFFAOYSA-N -1 1 348.211 2.196 20 0 EEADMM CN(CC(=O)NNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000066042750 681317632 /nfs/dbraw/zinc/31/76/32/681317632.db2.gz CCIUAAGVADPBOX-UHFFFAOYSA-N -1 1 349.390 2.443 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cnc3ccccc3c2)o1 ZINC000177903667 681583833 /nfs/dbraw/zinc/58/38/33/681583833.db2.gz GKNJJMNOBJFZCR-UHFFFAOYSA-N -1 1 346.364 2.093 20 0 EEADMM CN(C(=O)[C@@H]1CC12CCCC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937221160 681727887 /nfs/dbraw/zinc/72/78/87/681727887.db2.gz ZCOUDNJFUKLSKT-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000318474599 681831476 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EEADMM CCOC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801426766 1235563862 /nfs/dbraw/zinc/56/38/62/1235563862.db2.gz FDSVKRAVPCHTFG-JTQLQIEISA-N -1 1 336.319 2.134 20 0 EEADMM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1c([O-])cccc1F ZINC001413583630 1249458390 /nfs/dbraw/zinc/45/83/90/1249458390.db2.gz MHQSTNYSMVGLHC-ZDUSSCGKSA-N -1 1 335.306 2.185 20 0 EEADMM CCCc1ccccc1S(=O)(=O)NN=c1nc(OC)cc(C)[n-]1 ZINC000901634936 1236083449 /nfs/dbraw/zinc/08/34/49/1236083449.db2.gz HOBXAKZKVLVQKN-UHFFFAOYSA-N -1 1 336.417 2.052 20 0 EEADMM CC[C@H](Sc1nc([O-])cc(=O)n1CCOC)C(=O)c1ccccc1 ZINC000901657086 1236116293 /nfs/dbraw/zinc/11/62/93/1236116293.db2.gz PPIMAFTXGACNLV-ZDUSSCGKSA-N -1 1 348.424 2.349 20 0 EEADMM COCCN(CCC(=O)[O-])Cc1ccc(OC)c(OC)c1Cl ZINC000901664016 1236127673 /nfs/dbraw/zinc/12/76/73/1236127673.db2.gz OLWJRPSSWJZLDN-UHFFFAOYSA-N -1 1 331.796 2.280 20 0 EEADMM COC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)o2)C1 ZINC000901866534 1236496827 /nfs/dbraw/zinc/49/68/27/1236496827.db2.gz WRFZRLOQLRDZHE-CYBMUJFWSA-N -1 1 332.194 2.355 20 0 EEADMM COc1cccc(OC)c1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000901879374 1236529844 /nfs/dbraw/zinc/52/98/44/1236529844.db2.gz OYWZCASHQHGALK-UHFFFAOYSA-N -1 1 345.399 2.436 20 0 EEADMM Cc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(-c2ccnn2C)c1 ZINC000901912853 1236616430 /nfs/dbraw/zinc/61/64/30/1236616430.db2.gz WCPJNUNTDBFJGX-CXAGYDPISA-N -1 1 329.400 2.069 20 0 EEADMM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000901931172 1236659832 /nfs/dbraw/zinc/65/98/32/1236659832.db2.gz LAARCNBCHMOWJH-UHFFFAOYSA-N -1 1 327.793 2.457 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)N1CCc2ccccc2C1 ZINC000902170206 1237162158 /nfs/dbraw/zinc/16/21/58/1237162158.db2.gz CQYBLZUUDUMMQS-KEYYUXOJSA-N -1 1 330.428 2.002 20 0 EEADMM O=C([O-])c1occc1CN[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000902366188 1237464952 /nfs/dbraw/zinc/46/49/52/1237464952.db2.gz NJRKHFXKXAHPHC-INIZCTEOSA-N -1 1 342.395 2.301 20 0 EEADMM CCc1cc(NCC2CC(NC(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001067843471 1249754264 /nfs/dbraw/zinc/75/42/64/1249754264.db2.gz KJIMRNAZMRHDSU-UHFFFAOYSA-N -1 1 341.415 2.069 20 0 EEADMM Cc1cc(N[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)ncn1 ZINC001049894170 1242575250 /nfs/dbraw/zinc/57/52/50/1242575250.db2.gz PDQMKNDQHLYEPU-CQSZACIVSA-N -1 1 341.415 2.383 20 0 EEADMM Cc1ccc(N[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)nn1 ZINC001049895514 1242578785 /nfs/dbraw/zinc/57/87/85/1242578785.db2.gz ZVTDIGZLXZPEQF-CQSZACIVSA-N -1 1 341.415 2.383 20 0 EEADMM Cc1cccc(S(=O)(=O)CCCN2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000903938837 1242596088 /nfs/dbraw/zinc/59/60/88/1242596088.db2.gz HWZXICIESREJPU-HUUCEWRRSA-N -1 1 339.457 2.344 20 0 EEADMM O=C(NC[C@@H](Nc1nc(C2CC2)ns1)C1CC1)c1ncccc1[O-] ZINC001096639031 1243028105 /nfs/dbraw/zinc/02/81/05/1243028105.db2.gz HXAWOHPVTOGLEL-LLVKDONJSA-N -1 1 345.428 2.137 20 0 EEADMM Cc1cncc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccc2[O-])C3)c1 ZINC001096990549 1243550848 /nfs/dbraw/zinc/55/08/48/1243550848.db2.gz JHYUMJPZPWCLGH-OAGGEKHMSA-N -1 1 338.411 2.026 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001052674945 1244725060 /nfs/dbraw/zinc/72/50/60/1244725060.db2.gz AMMUQJUTDXZYBY-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM CCC[C@@](C)(NC(=O)NC[C@@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000780341504 1245898143 /nfs/dbraw/zinc/89/81/43/1245898143.db2.gz OAWWJJVKKRBIGS-XHDPSFHLSA-N -1 1 327.450 2.293 20 0 EEADMM CN(CCNc1ccc(C(F)(F)F)cn1)C(=O)c1ncccc1[O-] ZINC001101561260 1245963218 /nfs/dbraw/zinc/96/32/18/1245963218.db2.gz RXFAJTMKMYRNAE-UHFFFAOYSA-N -1 1 340.305 2.385 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc2scnc2c1)c1nn[n-]n1 ZINC000826928480 1248125928 /nfs/dbraw/zinc/12/59/28/1248125928.db2.gz PDWULGAOPUSGNQ-VIFPVBQESA-N -1 1 334.430 2.034 20 0 EEADMM Cc1ccc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])nn1 ZINC001058006235 1248250726 /nfs/dbraw/zinc/25/07/26/1248250726.db2.gz BSFSXVMMNUTXQO-UONOGXRCSA-N -1 1 341.415 2.381 20 0 EEADMM Cc1nsc(N[C@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001058006344 1248251463 /nfs/dbraw/zinc/25/14/63/1248251463.db2.gz DQMJQUGRVJBJRD-ZYHUDNBSSA-N -1 1 347.444 2.442 20 0 EEADMM C[C@H]1C[C@H](CNc2cncc(Cl)n2)CN1C(=O)c1ncccc1[O-] ZINC001068320792 1250791596 /nfs/dbraw/zinc/79/15/96/1250791596.db2.gz FOLFQBLMXIPBAH-WDEREUQCSA-N -1 1 347.806 2.193 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001069461092 1252907256 /nfs/dbraw/zinc/90/72/56/1252907256.db2.gz IUZUVFMFZCVWNF-UONOGXRCSA-N -1 1 341.415 2.205 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1Cc1ccc(F)cn1 ZINC001071454607 1254209434 /nfs/dbraw/zinc/20/94/34/1254209434.db2.gz OHGTTXODQQGXHD-DOMZBBRYSA-N -1 1 344.390 2.104 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC000345460233 1278552514 /nfs/dbraw/zinc/55/25/14/1278552514.db2.gz HPQUNFHHUJFASB-UHFFFAOYSA-N -1 1 331.282 2.309 20 0 EEADMM CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185879211 1278846307 /nfs/dbraw/zinc/84/63/07/1278846307.db2.gz KEQGUFMPMVLFMM-UHFFFAOYSA-N -1 1 334.353 2.092 20 0 EEADMM O=C(NCc1ccc(N2CCCNC2=O)cc1)c1ccc([O-])c(F)c1 ZINC001186242849 1279002740 /nfs/dbraw/zinc/00/27/40/1279002740.db2.gz RCYOTVCKQSMQBH-UHFFFAOYSA-N -1 1 343.358 2.381 20 0 EEADMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3nsnc3c2)cc1 ZINC001186261268 1279015378 /nfs/dbraw/zinc/01/53/78/1279015378.db2.gz LFHZZOGEHTXGTN-UHFFFAOYSA-N -1 1 348.409 2.451 20 0 EEADMM COC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1Br ZINC001186684358 1279191899 /nfs/dbraw/zinc/19/18/99/1279191899.db2.gz JVPQDSJEBUBQIU-LURJTMIESA-N -1 1 344.177 2.041 20 0 EEADMM COc1cc2c(cc1C)C[C@@H](NC(=O)c1n[n-]nc1C(F)(F)F)C2 ZINC001187770671 1279630424 /nfs/dbraw/zinc/63/04/24/1279630424.db2.gz PYSWFKUFFDLQPL-SNVBAGLBSA-N -1 1 340.305 2.038 20 0 EEADMM O=C(NC[C@@H](O)c1cc2ccccc2o1)c1n[n-]nc1C(F)(F)F ZINC001187773723 1279632589 /nfs/dbraw/zinc/63/25/89/1279632589.db2.gz JXZQNOSDFYEMLP-MRVPVSSYSA-N -1 1 340.261 2.033 20 0 EEADMM COc1cccc(CC2(C[N-]S(=O)(=O)c3nccs3)CC2)c1 ZINC001187920812 1279707369 /nfs/dbraw/zinc/70/73/69/1279707369.db2.gz OGHPVZMHPRXNAD-UHFFFAOYSA-N -1 1 338.454 2.453 20 0 EEADMM COc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1nccs1)CS2 ZINC001187922991 1279708420 /nfs/dbraw/zinc/70/84/20/1279708420.db2.gz DDKDYLIQVHTTDZ-SNVBAGLBSA-N -1 1 342.467 2.147 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CC1(C)Cc2ccccc2C1 ZINC000867045059 1280022712 /nfs/dbraw/zinc/02/27/12/1280022712.db2.gz PLHLJCFMDBLFNY-UHFFFAOYSA-N -1 1 344.502 2.134 20 0 EEADMM CCOc1cccc(OCC)c1C(=O)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001188888869 1280060471 /nfs/dbraw/zinc/06/04/71/1280060471.db2.gz HTQXILFQNGJDKC-UHFFFAOYSA-N -1 1 343.343 2.108 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cc(NC(C)=O)ccc2O)c(OC)c1 ZINC001190146265 1280681757 /nfs/dbraw/zinc/68/17/57/1280681757.db2.gz WMGHLDVJGFMWRI-UHFFFAOYSA-N -1 1 346.339 2.326 20 0 EEADMM O=C(NCC1Oc2ccccc2O1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190270624 1280770608 /nfs/dbraw/zinc/77/06/08/1280770608.db2.gz SMMHTYIHUJWZQC-UHFFFAOYSA-N -1 1 349.346 2.377 20 0 EEADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190499751 1280918291 /nfs/dbraw/zinc/91/82/91/1280918291.db2.gz GTLDXSVUVQFUEN-UHFFFAOYSA-N -1 1 330.409 2.393 20 0 EEADMM CCOc1ccc(C(=O)NCCCC[P@](=O)([O-])O)c(F)c1F ZINC001190730550 1281036364 /nfs/dbraw/zinc/03/63/64/1281036364.db2.gz RHWUULUBKIRDOM-UHFFFAOYSA-N -1 1 337.259 2.051 20 0 EEADMM COc1cc(C(=O)Nc2nc(N)cnc2Cl)cc(Cl)c1[O-] ZINC001191138666 1281241287 /nfs/dbraw/zinc/24/12/87/1281241287.db2.gz JKPBFOJBLXPRCI-UHFFFAOYSA-N -1 1 329.143 2.332 20 0 EEADMM CSc1ncc(C(=O)N2CCC(c3ccccn3)CC2)c(=O)[n-]1 ZINC001191429950 1281397032 /nfs/dbraw/zinc/39/70/32/1281397032.db2.gz AXMQFHXPZZTRSI-UHFFFAOYSA-N -1 1 330.413 2.319 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)c1cncc(-c2cccs2)c1 ZINC001191826327 1281641612 /nfs/dbraw/zinc/64/16/12/1281641612.db2.gz QNFKYKOIDIJGJF-UHFFFAOYSA-N -1 1 340.341 2.498 20 0 EEADMM Cc1nc2ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)cn2n1 ZINC001192001666 1281743282 /nfs/dbraw/zinc/74/32/82/1281743282.db2.gz PLHUILWFYVXCKO-UHFFFAOYSA-N -1 1 329.596 2.107 20 0 EEADMM O=S(=O)([N-][C@@H](CCO)c1ccccc1)C(Cl)(Cl)Cl ZINC001192044511 1281777267 /nfs/dbraw/zinc/77/72/67/1281777267.db2.gz WDPOADTWMAZIHO-VIFPVBQESA-N -1 1 332.636 2.357 20 0 EEADMM O=S(=O)([N-]Cc1ccc2nccn2c1)C(Cl)(Cl)Cl ZINC001192063743 1281792976 /nfs/dbraw/zinc/79/29/76/1281792976.db2.gz BHOVTZYYKPHTAK-UHFFFAOYSA-N -1 1 328.608 2.081 20 0 EEADMM CC(C)c1ccccc1NC(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001192271679 1281906906 /nfs/dbraw/zinc/90/69/06/1281906906.db2.gz ANPFBWSFGJNQFF-UHFFFAOYSA-N -1 1 328.332 2.483 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(F)cn1 ZINC001192321811 1281928469 /nfs/dbraw/zinc/92/84/69/1281928469.db2.gz UXPYAESXKACICT-UHFFFAOYSA-N -1 1 331.756 2.387 20 0 EEADMM CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC001192535588 1282052693 /nfs/dbraw/zinc/05/26/93/1282052693.db2.gz JDEKGHCDBVIPPK-SNVBAGLBSA-N -1 1 338.354 2.001 20 0 EEADMM O=C(Nc1cncc(N2CCOCC2)c1)c1cc([O-])cc(F)c1F ZINC001192660909 1282093941 /nfs/dbraw/zinc/09/39/41/1282093941.db2.gz GEELXRBGNHWCEJ-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@H](Oc2ncccn2)C1 ZINC001192664952 1282122477 /nfs/dbraw/zinc/12/24/77/1282122477.db2.gz HZGBWMWHRXHJOZ-NSHDSACASA-N -1 1 335.310 2.144 20 0 EEADMM CSc1ncc2c(n1)CN(C(=O)c1cc([O-])cc(F)c1F)CC2 ZINC001192664675 1282123217 /nfs/dbraw/zinc/12/32/17/1282123217.db2.gz FIOZBEAEMDBAEZ-UHFFFAOYSA-N -1 1 337.351 2.381 20 0 EEADMM O=C(c1cc([O-])cc(F)c1F)N1CCc2nc(Cl)ncc2C1 ZINC001192665227 1282124328 /nfs/dbraw/zinc/12/43/28/1282124328.db2.gz TXVPLOTYCMSWKO-UHFFFAOYSA-N -1 1 325.702 2.312 20 0 EEADMM CC(C)OC(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC001193265423 1282412706 /nfs/dbraw/zinc/41/27/06/1282412706.db2.gz STNLREMGYKFDHA-CQSZACIVSA-N -1 1 327.402 2.173 20 0 EEADMM COc1ccnc(C(=O)Nc2cnc3c(C(C)(C)C)cnn3c2)c1[O-] ZINC001193524924 1282565280 /nfs/dbraw/zinc/56/52/80/1282565280.db2.gz PYOLJJWKBCPSCO-UHFFFAOYSA-N -1 1 341.371 2.388 20 0 EEADMM CCN=c1ccc(N)cn1C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193734571 1282683550 /nfs/dbraw/zinc/68/35/50/1282683550.db2.gz FZBIWBYODYKDCJ-UHFFFAOYSA-N -1 1 325.290 2.404 20 0 EEADMM COC(=O)c1cc(C(=O)Nc2ccc(OC3CCOCC3)cc2)[n-]n1 ZINC001194289037 1282982810 /nfs/dbraw/zinc/98/28/10/1282982810.db2.gz TZGJESCNHWMQGC-UHFFFAOYSA-N -1 1 345.355 2.006 20 0 EEADMM O=C([N-]c1ncnc2n[nH]nc21)c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194387233 1283019057 /nfs/dbraw/zinc/01/90/57/1283019057.db2.gz JHYIVEIJIIUFOL-UHFFFAOYSA-N -1 1 343.656 2.067 20 0 EEADMM COC(=O)c1cc(C)c(C)cc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194807358 1283305549 /nfs/dbraw/zinc/30/55/49/1283305549.db2.gz JMEUAKDDYOZCTD-UHFFFAOYSA-N -1 1 339.413 2.343 20 0 EEADMM O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc([O-])cnc1Cl ZINC001195308307 1283527103 /nfs/dbraw/zinc/52/71/03/1283527103.db2.gz BLMHMSXMBBJDNV-UHFFFAOYSA-N -1 1 336.756 2.451 20 0 EEADMM COC(=O)c1nn(C)c2ccc(NC(=O)c3nc(C)ccc3[O-])cc12 ZINC001195330140 1283550580 /nfs/dbraw/zinc/55/05/80/1283550580.db2.gz MKTLZZRJRIECQK-UHFFFAOYSA-N -1 1 340.339 2.021 20 0 EEADMM CC(=O)c1ccc(NC(=S)Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001196578102 1284147060 /nfs/dbraw/zinc/14/70/60/1284147060.db2.gz DXHPIDSWWFJNLL-UHFFFAOYSA-N -1 1 328.357 2.070 20 0 EEADMM CN(C)c1ccccc1NC(=O)c1sccc1[N-]S(C)(=O)=O ZINC001196733737 1284237112 /nfs/dbraw/zinc/23/71/12/1284237112.db2.gz YZUIJNAOJDBRLK-UHFFFAOYSA-N -1 1 339.442 2.438 20 0 EEADMM CC(=O)Nc1c[nH]c(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001196870951 1284331373 /nfs/dbraw/zinc/33/13/73/1284331373.db2.gz WESWJLYUPCYCJH-UHFFFAOYSA-N -1 1 339.149 2.089 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)c1ccc(Cl)nc1C1CC1 ZINC001197276869 1284537105 /nfs/dbraw/zinc/53/71/05/1284537105.db2.gz PYQORNSYBCRVHP-UHFFFAOYSA-N -1 1 332.724 2.300 20 0 EEADMM Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c(=O)[nH]1 ZINC001197554364 1284682948 /nfs/dbraw/zinc/68/29/48/1284682948.db2.gz IHNNGZHAQBHFPF-UHFFFAOYSA-N -1 1 348.211 2.327 20 0 EEADMM Cc1ccnc(S(=O)(=O)[N-]c2ccc(F)nc2Br)c1 ZINC001197965126 1284916387 /nfs/dbraw/zinc/91/63/87/1284916387.db2.gz 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C[C@@H](CC1CCOCC1)OC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609110752 1351847473 /nfs/dbraw/zinc/84/74/73/1351847473.db2.gz UWRAJKWCSYKMTD-JTQLQIEISA-N -1 1 334.351 2.368 20 0 EEADMM C[C@@H](CC1CCOCC1)OC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609110752 1351847478 /nfs/dbraw/zinc/84/74/78/1351847478.db2.gz UWRAJKWCSYKMTD-JTQLQIEISA-N -1 1 334.351 2.368 20 0 EEADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC001609113487 1351849495 /nfs/dbraw/zinc/84/94/95/1351849495.db2.gz VGQLTXIROCRJFI-LLVKDONJSA-N -1 1 341.346 2.203 20 0 EEADMM C[C@H](CNC(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC001609113487 1351849499 /nfs/dbraw/zinc/84/94/99/1351849499.db2.gz VGQLTXIROCRJFI-LLVKDONJSA-N -1 1 341.346 2.203 20 0 EEADMM C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609177892 1351877630 /nfs/dbraw/zinc/87/76/30/1351877630.db2.gz GJJLMQNXHMMJRN-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609177892 1351877635 /nfs/dbraw/zinc/87/76/35/1351877635.db2.gz GJJLMQNXHMMJRN-SNVBAGLBSA-N -1 1 338.396 2.403 20 0 EEADMM CCC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)o2)c(F)c1 ZINC001609182344 1351879621 /nfs/dbraw/zinc/87/96/21/1351879621.db2.gz ZSGDARSNLWGGIA-UHFFFAOYSA-N -1 1 330.275 2.411 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609242753 1351906833 /nfs/dbraw/zinc/90/68/33/1351906833.db2.gz GCZFVZLHCIVWNU-UHFFFAOYSA-N -1 1 331.357 2.285 20 0 EEADMM CCOc1cc(O)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609242753 1351906836 /nfs/dbraw/zinc/90/68/36/1351906836.db2.gz GCZFVZLHCIVWNU-UHFFFAOYSA-N -1 1 331.357 2.285 20 0 EEADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609279246 1351920173 /nfs/dbraw/zinc/92/01/73/1351920173.db2.gz ZNPYUSBXFXOYRH-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609279246 1351920176 /nfs/dbraw/zinc/92/01/76/1351920176.db2.gz ZNPYUSBXFXOYRH-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609311655 1351928995 /nfs/dbraw/zinc/92/89/95/1351928995.db2.gz ZWCILJDRYDGTGW-BZNIZROVSA-N -1 1 342.378 2.319 20 0 EEADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609311655 1351929000 /nfs/dbraw/zinc/92/90/00/1351929000.db2.gz ZWCILJDRYDGTGW-BZNIZROVSA-N -1 1 342.378 2.319 20 0 EEADMM CSc1cccc(N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001609372921 1351950586 /nfs/dbraw/zinc/95/05/86/1351950586.db2.gz CPWNQLYQSQSCEO-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1cccc(N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001609372921 1351950588 /nfs/dbraw/zinc/95/05/88/1351950588.db2.gz CPWNQLYQSQSCEO-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CON(C(=O)c1ccc(I)c([O-])c1)C(C)C ZINC001331110277 1334965058 /nfs/dbraw/zinc/96/50/58/1334965058.db2.gz NUPIBNNUFJZAJN-UHFFFAOYSA-N -1 1 335.141 2.409 20 0 EEADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001609436914 1351976052 /nfs/dbraw/zinc/97/60/52/1351976052.db2.gz WNOLMWVOYMGLEK-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cn1c2ccccc2nc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007674616 1351977179 /nfs/dbraw/zinc/97/71/79/1351977179.db2.gz IJOMTDDBQHFYBL-UHFFFAOYSA-N -1 1 337.351 2.330 20 0 EEADMM Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609462781 1351986101 /nfs/dbraw/zinc/98/61/01/1351986101.db2.gz WBGLDKTVNAQNBQ-ZETCQYMHSA-N -1 1 330.323 2.102 20 0 EEADMM Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609462781 1351986104 /nfs/dbraw/zinc/98/61/04/1351986104.db2.gz WBGLDKTVNAQNBQ-ZETCQYMHSA-N -1 1 330.323 2.102 20 0 EEADMM Cc1nsc(N[C@@H]2CCCN(CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001609464817 1351987012 /nfs/dbraw/zinc/98/70/12/1351987012.db2.gz BPAPMMIVCGKMTD-MRVPVSSYSA-N -1 1 347.370 2.070 20 0 EEADMM Cc1nsc(Nc2cccc(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC001609466241 1351987589 /nfs/dbraw/zinc/98/75/89/1351987589.db2.gz KRJULNYNNCZQDN-UHFFFAOYSA-N -1 1 343.372 2.332 20 0 EEADMM FC(F)(F)[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1nccs1 ZINC001609483615 1351994074 /nfs/dbraw/zinc/99/40/74/1351994074.db2.gz MNPAIEWGKFWNIG-SECBINFHSA-N -1 1 341.322 2.111 20 0 EEADMM FC(F)(F)[C@H](NCc1ccnc(-c2nn[n-]n2)c1)c1nccs1 ZINC001609483615 1351994076 /nfs/dbraw/zinc/99/40/76/1351994076.db2.gz MNPAIEWGKFWNIG-SECBINFHSA-N -1 1 341.322 2.111 20 0 EEADMM O=C(NC1(Cc2ccccc2)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001609539578 1352009536 /nfs/dbraw/zinc/00/95/36/1352009536.db2.gz OTNALNKJMBVQPN-UHFFFAOYSA-N -1 1 325.397 2.433 20 0 EEADMM O=C(NC[C@@H]1CCCC1(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC001609545995 1352012025 /nfs/dbraw/zinc/01/20/25/1352012025.db2.gz WYRZEQQBJZSJLS-QMMMGPOBSA-N -1 1 325.294 2.171 20 0 EEADMM O=C(NC[C@@H]1CCCC1(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC001609545995 1352012030 /nfs/dbraw/zinc/01/20/30/1352012030.db2.gz WYRZEQQBJZSJLS-QMMMGPOBSA-N -1 1 325.294 2.171 20 0 EEADMM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)c1nn[n-]n1 ZINC001332604933 1335860105 /nfs/dbraw/zinc/86/01/05/1335860105.db2.gz ZLPXXXRDESUKDC-LLVKDONJSA-N -1 1 338.371 2.021 20 0 EEADMM O=C(OCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609576897 1352022949 /nfs/dbraw/zinc/02/29/49/1352022949.db2.gz DXMAYYPSIXVFDX-UHFFFAOYSA-N -1 1 336.254 2.418 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc(-n2cccc2)cc1 ZINC001609577569 1352023981 /nfs/dbraw/zinc/02/39/81/1352023981.db2.gz OZTBDESMSBYOIZ-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc(-n2cccc2)cc1 ZINC001609577569 1352023988 /nfs/dbraw/zinc/02/39/88/1352023988.db2.gz OZTBDESMSBYOIZ-UHFFFAOYSA-N -1 1 346.350 2.409 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN(C1CC1)[C@H]1CCc2ccccc21 ZINC001609603749 1352033097 /nfs/dbraw/zinc/03/30/97/1352033097.db2.gz BPGVJPDJLDRFGD-KRWDZBQOSA-N -1 1 348.410 2.138 20 0 EEADMM C[C@@H](NC[C@H](O)COCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC001609774419 1352081976 /nfs/dbraw/zinc/08/19/76/1352081976.db2.gz UHGZBORYORWVOM-ZJUUUORDSA-N -1 1 342.442 2.131 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@H]2COC[C@@H]21 ZINC001339506049 1337017343 /nfs/dbraw/zinc/01/73/43/1337017343.db2.gz OLYFLOIWPGZJBQ-PWSUYJOCSA-N -1 1 349.822 2.334 20 0 EEADMM CC(C)O[C@@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001339678593 1337051337 /nfs/dbraw/zinc/05/13/37/1337051337.db2.gz HCIUFESNWTVCBB-SNVBAGLBSA-N -1 1 337.811 2.240 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001609868517 1352107666 /nfs/dbraw/zinc/10/76/66/1352107666.db2.gz QYOAVQUQFNSRDZ-QWHCGFSZSA-N -1 1 347.406 2.002 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1cccc(F)c1F ZINC001609872105 1352108449 /nfs/dbraw/zinc/10/84/49/1352108449.db2.gz TZNXHVZDWOGWMU-JTQLQIEISA-N -1 1 343.399 2.142 20 0 EEADMM CC[C@@H]1CN(Cc2oncc2C(=O)[O-])CCN1Cc1ccccc1 ZINC001609946327 1352126621 /nfs/dbraw/zinc/12/66/21/1352126621.db2.gz CAPCBEFHALHUCD-OAHLLOKOSA-N -1 1 329.400 2.469 20 0 EEADMM CCCN(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001609973078 1352133232 /nfs/dbraw/zinc/13/32/32/1352133232.db2.gz KMYUIVANRFSQEG-CQSZACIVSA-N -1 1 337.395 2.401 20 0 EEADMM COC(=O)c1ccc(NS(=O)(=O)c2ccsc2)cc1C(=O)[O-] ZINC001610215313 1352187759 /nfs/dbraw/zinc/18/77/59/1352187759.db2.gz AQPFTGRETCOPPG-UHFFFAOYSA-N -1 1 341.366 2.034 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC001610287435 1352200321 /nfs/dbraw/zinc/20/03/21/1352200321.db2.gz RYRDWRFTQOQCMY-UHFFFAOYSA-N -1 1 338.319 2.487 20 0 EEADMM Cc1cc(CN(C)CCn2cc(Br)cn2)oc1C(=O)[O-] ZINC001610460523 1352226195 /nfs/dbraw/zinc/22/61/95/1352226195.db2.gz SNYOMKSJSCFWCU-UHFFFAOYSA-N -1 1 342.193 2.377 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](CCCO)C1 ZINC001610486776 1352231104 /nfs/dbraw/zinc/23/11/04/1352231104.db2.gz LOOPDRKYHDDZMP-UONOGXRCSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c(C)o1 ZINC001610477999 1352229452 /nfs/dbraw/zinc/22/94/52/1352229452.db2.gz FIUDQFWWIJEZQW-UHFFFAOYSA-N -1 1 335.341 2.272 20 0 EEADMM Cc1[nH]c(=S)sc1CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001610560100 1352245063 /nfs/dbraw/zinc/24/50/63/1352245063.db2.gz BVBNIPDWRNYQET-UHFFFAOYSA-N -1 1 348.409 2.496 20 0 EEADMM Cc1ncccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001610566504 1352246120 /nfs/dbraw/zinc/24/61/20/1352246120.db2.gz KBXAGCIZSGRIKZ-OAHLLOKOSA-N -1 1 349.431 2.286 20 0 EEADMM Cc1nn(C)cc1CN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001610569342 1352246448 /nfs/dbraw/zinc/24/64/48/1352246448.db2.gz AKXPOVMYIHZUCD-CYBMUJFWSA-N -1 1 328.416 2.137 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001428515686 1339545155 /nfs/dbraw/zinc/54/51/55/1339545155.db2.gz FZYOIVDQRUWRNE-QWHCGFSZSA-N -1 1 327.384 2.114 20 0 EEADMM O=C([O-])c1cnoc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001610864196 1352287420 /nfs/dbraw/zinc/28/74/20/1352287420.db2.gz CYPRGKZCNPNGMF-MRXNPFEDSA-N -1 1 330.340 2.385 20 0 EEADMM O=C(CCCF)N[C@H](CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001429994800 1340084309 /nfs/dbraw/zinc/08/43/09/1340084309.db2.gz SAPCJGOIKKIEEY-CQSZACIVSA-N -1 1 345.374 2.124 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(C)(F)F ZINC001431109653 1340454444 /nfs/dbraw/zinc/45/44/44/1340454444.db2.gz CRRVXGSARDEGJE-LLVKDONJSA-N -1 1 343.374 2.093 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001431422061 1340589661 /nfs/dbraw/zinc/58/96/61/1340589661.db2.gz CBIQULIUOPDYCH-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC(=O)N[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)CC(C)C ZINC001433001292 1341460782 /nfs/dbraw/zinc/46/07/82/1341460782.db2.gz CZRFFDFDCXGJDC-CYBMUJFWSA-N -1 1 348.447 2.120 20 0 EEADMM COc1ccc([C@@H](O)CNC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001433791157 1341690720 /nfs/dbraw/zinc/69/07/20/1341690720.db2.gz IBUGMULEVOMFLG-INIZCTEOSA-N -1 1 335.787 2.447 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)COc3ccc(Cl)c(F)c3)ccnc1-2 ZINC001436066516 1342010239 /nfs/dbraw/zinc/01/02/39/1342010239.db2.gz HZEDNSWULGFVMN-UHFFFAOYSA-N -1 1 334.738 2.152 20 0 EEADMM C[C@H](NC(=O)CCCc1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC001540607798 1342327040 /nfs/dbraw/zinc/32/70/40/1342327040.db2.gz AXWKZDXIJCFTHP-VIFPVBQESA-N -1 1 349.345 2.145 20 0 EEADMM CCn1ccc(CN(C)C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001578772482 1344302422 /nfs/dbraw/zinc/30/24/22/1344302422.db2.gz SOULNYBOUWVXJC-UHFFFAOYSA-N -1 1 345.432 2.091 20 0 EEADMM COc1ncc(NC(=O)C=C2CCC(C)CC2)cc1-c1nn[n-]n1 ZINC001580133805 1344477849 /nfs/dbraw/zinc/47/78/49/1344477849.db2.gz ZHFYEAKGANIEJW-UHFFFAOYSA-N -1 1 328.376 2.345 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)CO2 ZINC001581214986 1344599992 /nfs/dbraw/zinc/59/99/92/1344599992.db2.gz PQBAUGVIXHFKGD-NSHDSACASA-N -1 1 327.369 2.100 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)CO2 ZINC001581214986 1344599995 /nfs/dbraw/zinc/59/99/95/1344599995.db2.gz PQBAUGVIXHFKGD-NSHDSACASA-N -1 1 327.369 2.100 20 0 EEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001581260969 1344607787 /nfs/dbraw/zinc/60/77/87/1344607787.db2.gz MNUOXJMBAFXONR-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001581260969 1344607789 /nfs/dbraw/zinc/60/77/89/1344607789.db2.gz MNUOXJMBAFXONR-SNVBAGLBSA-N -1 1 349.441 2.276 20 0 EEADMM O=C(Cc1cccc(C(F)F)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582146738 1344706693 /nfs/dbraw/zinc/70/66/93/1344706693.db2.gz HLSWTXLXCKKWTJ-UHFFFAOYSA-N -1 1 344.325 2.058 20 0 EEADMM O=C(Cc1cccc(C(F)F)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582146738 1344706697 /nfs/dbraw/zinc/70/66/97/1344706697.db2.gz HLSWTXLXCKKWTJ-UHFFFAOYSA-N -1 1 344.325 2.058 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582328471 1344733279 /nfs/dbraw/zinc/73/32/79/1344733279.db2.gz RKFWQGXPCLCOMV-CYBMUJFWSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582328471 1344733280 /nfs/dbraw/zinc/73/32/80/1344733280.db2.gz RKFWQGXPCLCOMV-CYBMUJFWSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](c2ccncc2)C1 ZINC001582709232 1344784798 /nfs/dbraw/zinc/78/47/98/1344784798.db2.gz MSVYDGWBNQEWKF-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](c2ccncc2)C1 ZINC001582709232 1344784800 /nfs/dbraw/zinc/78/48/00/1344784800.db2.gz MSVYDGWBNQEWKF-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=c1ccc(C(F)(F)F)cn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001582806431 1344794244 /nfs/dbraw/zinc/79/42/44/1344794244.db2.gz CGPIZBJHCPOFCR-UHFFFAOYSA-N -1 1 327.291 2.157 20 0 EEADMM COc1cc(CCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)on1 ZINC001586210923 1348847359 /nfs/dbraw/zinc/84/73/59/1348847359.db2.gz ALHCOQFDDLOJCG-UHFFFAOYSA-N -1 1 328.328 2.146 20 0 EEADMM CC(=O)CCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588791730 1348937385 /nfs/dbraw/zinc/93/73/85/1348937385.db2.gz SKKTWFURXHBDAD-UHFFFAOYSA-N -1 1 335.433 2.474 20 0 EEADMM CC(C)(C)c1cnc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)o1 ZINC001589234423 1348973622 /nfs/dbraw/zinc/97/36/22/1348973622.db2.gz QMBQYYCHDSOLMJ-UHFFFAOYSA-N -1 1 347.404 2.180 20 0 EEADMM CC(C)(C)c1cnc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)o1 ZINC001589234423 1348973625 /nfs/dbraw/zinc/97/36/25/1348973625.db2.gz QMBQYYCHDSOLMJ-UHFFFAOYSA-N -1 1 347.404 2.180 20 0 EEADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)Cc1cccc(Cl)c1 ZINC001589293277 1348980349 /nfs/dbraw/zinc/98/03/49/1348980349.db2.gz SZSIFPWSSBVCFV-UHFFFAOYSA-N -1 1 343.822 2.413 20 0 EEADMM CC(C)[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1nc(C2CC2)no1 ZINC001589474964 1348993129 /nfs/dbraw/zinc/99/31/29/1348993129.db2.gz IEDGNABVDJFJLO-NSHDSACASA-N -1 1 346.420 2.071 20 0 EEADMM CC(C)[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1nc(C2CC2)no1 ZINC001589474964 1348993132 /nfs/dbraw/zinc/99/31/32/1348993132.db2.gz IEDGNABVDJFJLO-NSHDSACASA-N -1 1 346.420 2.071 20 0 EEADMM CC(C)C1CCC(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589502526 1348998646 /nfs/dbraw/zinc/99/86/46/1348998646.db2.gz OJYCAAOPJOCYAG-UHFFFAOYSA-N -1 1 342.447 2.383 20 0 EEADMM CC(C)C1CCC(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589502526 1348998647 /nfs/dbraw/zinc/99/86/47/1348998647.db2.gz OJYCAAOPJOCYAG-UHFFFAOYSA-N -1 1 342.447 2.383 20 0 EEADMM C[C@@H](CC(=O)OCc1nc(-c2nnn[n-]2)cs1)c1ccc(N)cc1 ZINC001589796206 1349045778 /nfs/dbraw/zinc/04/57/78/1349045778.db2.gz RQOVRCKOUDQDPV-VIFPVBQESA-N -1 1 344.400 2.142 20 0 EEADMM C[C@@H](CC(=O)OCc1nc(-c2nn[n-]n2)cs1)c1ccc(N)cc1 ZINC001589796206 1349045783 /nfs/dbraw/zinc/04/57/83/1349045783.db2.gz RQOVRCKOUDQDPV-VIFPVBQESA-N -1 1 344.400 2.142 20 0 EEADMM CC1(C)OCC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001590117017 1349160937 /nfs/dbraw/zinc/16/09/37/1349160937.db2.gz FUEBZWSANARDHO-SECBINFHSA-N -1 1 328.298 2.260 20 0 EEADMM CC1(C)OCC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001590117017 1349160946 /nfs/dbraw/zinc/16/09/46/1349160946.db2.gz FUEBZWSANARDHO-SECBINFHSA-N -1 1 328.298 2.260 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590216088 1349204486 /nfs/dbraw/zinc/20/44/86/1349204486.db2.gz YBWOZUMHRNVTFQ-OCCSQVGLSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590216088 1349204491 /nfs/dbraw/zinc/20/44/91/1349204491.db2.gz YBWOZUMHRNVTFQ-OCCSQVGLSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590239230 1349218376 /nfs/dbraw/zinc/21/83/76/1349218376.db2.gz KTIXVLUWJCUONK-GDGBQDQQSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@@H]1CCC[C@H](CCNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001590240562 1349219983 /nfs/dbraw/zinc/21/99/83/1349219983.db2.gz FIKDRCKXNCPIID-CHWSQXEVSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCC[C@H](CCNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001590240562 1349219990 /nfs/dbraw/zinc/21/99/90/1349219990.db2.gz FIKDRCKXNCPIID-CHWSQXEVSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590246246 1349223898 /nfs/dbraw/zinc/22/38/98/1349223898.db2.gz BJBHFFZYAGDILH-PIGZYNQJSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590246246 1349223902 /nfs/dbraw/zinc/22/39/02/1349223902.db2.gz BJBHFFZYAGDILH-PIGZYNQJSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590254955 1349229884 /nfs/dbraw/zinc/22/98/84/1349229884.db2.gz YHLAKLGCHNRNFN-VXGBXAGGSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590254955 1349229888 /nfs/dbraw/zinc/22/98/88/1349229888.db2.gz YHLAKLGCHNRNFN-VXGBXAGGSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590279395 1349245681 /nfs/dbraw/zinc/24/56/81/1349245681.db2.gz KJPUZRYIKNCRQI-MEDUHNTESA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590279395 1349245686 /nfs/dbraw/zinc/24/56/86/1349245686.db2.gz KJPUZRYIKNCRQI-MEDUHNTESA-N -1 1 334.383 2.315 20 0 EEADMM CC[C@@H](C)C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001590394590 1349300745 /nfs/dbraw/zinc/30/07/45/1349300745.db2.gz AWUVSKKREPJKPE-PNESKVBLSA-N -1 1 344.419 2.114 20 0 EEADMM CC/C(C)=C/C(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001590392688 1349301510 /nfs/dbraw/zinc/30/15/10/1349301510.db2.gz KSNQETWQJHTTSV-MLCWLASSSA-N -1 1 347.448 2.072 20 0 EEADMM CC[C@@H](CNC(=O)C=C1CCC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590440462 1349326894 /nfs/dbraw/zinc/32/68/94/1349326894.db2.gz OTHUAMYHOSWILL-NSHDSACASA-N -1 1 347.448 2.049 20 0 EEADMM CC[C@@H](OC1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590478995 1349350956 /nfs/dbraw/zinc/35/09/56/1349350956.db2.gz JMCLZQYCUZPWPS-GFCCVEGCSA-N -1 1 335.433 2.282 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590692515 1349392136 /nfs/dbraw/zinc/39/21/36/1349392136.db2.gz UCKXOBBMSYYPLH-UHFFFAOYSA-N -1 1 348.354 2.412 20 0 EEADMM CN(C)c1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC001591034599 1349433961 /nfs/dbraw/zinc/43/39/61/1349433961.db2.gz AUIGMFWZLXHSTK-UHFFFAOYSA-N -1 1 346.394 2.296 20 0 EEADMM CN(c1nc(COc2ccc(F)nc2-c2nn[n-]n2)cs1)C1CC1 ZINC001591159348 1349443703 /nfs/dbraw/zinc/44/37/03/1349443703.db2.gz CETLAOIBCNHUAG-UHFFFAOYSA-N -1 1 347.379 2.035 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2COC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001591622971 1349518240 /nfs/dbraw/zinc/51/82/40/1349518240.db2.gz YQZVRWUNBXTFAF-AAEUAGOBSA-N -1 1 340.339 2.429 20 0 EEADMM COc1cccc2c1CCC[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)C2 ZINC001591642741 1349520924 /nfs/dbraw/zinc/52/09/24/1349520924.db2.gz JACXFXYZFYBITJ-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM COc1cccc2c1CCC[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)C2 ZINC001591642741 1349520933 /nfs/dbraw/zinc/52/09/33/1349520933.db2.gz JACXFXYZFYBITJ-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1ccc(F)c(C)c1 ZINC001591906806 1349555209 /nfs/dbraw/zinc/55/52/09/1349555209.db2.gz ILHXSZSSQFMDSB-UHFFFAOYSA-N -1 1 344.302 2.255 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1ccc(F)c(C)c1 ZINC001591906806 1349555225 /nfs/dbraw/zinc/55/52/25/1349555225.db2.gz ILHXSZSSQFMDSB-UHFFFAOYSA-N -1 1 344.302 2.255 20 0 EEADMM Cc1cc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)ccc1F ZINC001591938617 1349564921 /nfs/dbraw/zinc/56/49/21/1349564921.db2.gz AUUPBSFILGUTHA-CQSZACIVSA-N -1 1 325.351 2.089 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2ccccc2C)c(-c2nn[n-]n2)c1 ZINC001592195858 1349603348 /nfs/dbraw/zinc/60/33/48/1349603348.db2.gz RDCUQQMSRWCFHX-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2nnc(-c3ccccc3)s2)c1C ZINC001592340599 1349623049 /nfs/dbraw/zinc/62/30/49/1349623049.db2.gz JHVMAJOOZNWECR-UHFFFAOYSA-N -1 1 338.400 2.247 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2nnc(-c3ccccc3)s2)c1C ZINC001592340599 1349623050 /nfs/dbraw/zinc/62/30/50/1349623050.db2.gz JHVMAJOOZNWECR-UHFFFAOYSA-N -1 1 338.400 2.247 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592433519 1349631839 /nfs/dbraw/zinc/63/18/39/1349631839.db2.gz CQGLOLFGTPEVLA-SNVBAGLBSA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@@H](C)C2CCCCC2)c1-c1nn[n-]n1 ZINC001592433519 1349631841 /nfs/dbraw/zinc/63/18/41/1349631841.db2.gz CQGLOLFGTPEVLA-SNVBAGLBSA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nsc(NC[C@@H](O)[C@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592488028 1349636448 /nfs/dbraw/zinc/63/64/48/1349636448.db2.gz OPHKAZDXHFQIJW-BXKDBHETSA-N -1 1 330.417 2.208 20 0 EEADMM Clc1ccc2[nH]c(Sc3cnc(-c4nn[n-]n4)cn3)nc2c1 ZINC001592533612 1349650105 /nfs/dbraw/zinc/65/01/05/1349650105.db2.gz WINSGNPVTVGNCD-UHFFFAOYSA-N -1 1 330.764 2.338 20 0 EEADMM Clc1ncccc1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592538562 1349652050 /nfs/dbraw/zinc/65/20/50/1349652050.db2.gz XIDMGESGMMZZRK-UHFFFAOYSA-N -1 1 338.762 2.222 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001592544003 1349654921 /nfs/dbraw/zinc/65/49/21/1349654921.db2.gz UESPWINFJOLRHR-PWSUYJOCSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001592544003 1349654922 /nfs/dbraw/zinc/65/49/22/1349654922.db2.gz UESPWINFJOLRHR-PWSUYJOCSA-N -1 1 340.391 2.024 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@]2(C)C2CCCCC2)n1 ZINC001592559512 1349657477 /nfs/dbraw/zinc/65/74/77/1349657477.db2.gz UBHQDHQIMJDEQN-INIZCTEOSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@]2(C)C2CCCCC2)n1 ZINC001592559512 1349657480 /nfs/dbraw/zinc/65/74/80/1349657480.db2.gz UBHQDHQIMJDEQN-INIZCTEOSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(C(F)F)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001592566404 1349659984 /nfs/dbraw/zinc/65/99/84/1349659984.db2.gz VENBVIUNVMFVSJ-UHFFFAOYSA-N -1 1 340.725 2.198 20 0 EEADMM Cn1cc(C(F)F)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001592566404 1349659985 /nfs/dbraw/zinc/65/99/85/1349659985.db2.gz VENBVIUNVMFVSJ-UHFFFAOYSA-N -1 1 340.725 2.198 20 0 EEADMM Cn1nc(C2CC2)cc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001592594412 1349664929 /nfs/dbraw/zinc/66/49/29/1349664929.db2.gz JNQQOLFBOGQYJJ-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1nc(C2CC2)cc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001592594412 1349664934 /nfs/dbraw/zinc/66/49/34/1349664934.db2.gz JNQQOLFBOGQYJJ-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM FC(F)(F)COc1cccc(Nc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001592615410 1349672286 /nfs/dbraw/zinc/67/22/86/1349672286.db2.gz UZFHJURWVXCEJH-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1cccc(Nc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001592615410 1349672289 /nfs/dbraw/zinc/67/22/89/1349672289.db2.gz UZFHJURWVXCEJH-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1F ZINC001592647542 1349692167 /nfs/dbraw/zinc/69/21/67/1349692167.db2.gz SWSWOKDZTQDFNS-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1F ZINC001592647542 1349692171 /nfs/dbraw/zinc/69/21/71/1349692171.db2.gz SWSWOKDZTQDFNS-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1cccc(F)c1CN(c1cc(-c2nnn[n-]2)ncn1)C1CC1 ZINC001592656528 1349701515 /nfs/dbraw/zinc/70/15/15/1349701515.db2.gz AWDMQRMEKHDUST-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1cccc(F)c1CN(c1cc(-c2nn[n-]n2)ncn1)C1CC1 ZINC001592656528 1349701517 /nfs/dbraw/zinc/70/15/17/1349701517.db2.gz AWDMQRMEKHDUST-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCCC12CC2 ZINC001593137522 1349739840 /nfs/dbraw/zinc/73/98/40/1349739840.db2.gz HJFIEVKIIYDUKY-JTQLQIEISA-N -1 1 332.433 2.308 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)NC1(c2cccc(F)c2)CC1 ZINC001593244351 1349749812 /nfs/dbraw/zinc/74/98/12/1349749812.db2.gz PCSTWCLHUCEOJQ-UHFFFAOYSA-N -1 1 339.334 2.212 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)NC1(c2cccc(F)c2)CC1 ZINC001593244351 1349749817 /nfs/dbraw/zinc/74/98/17/1349749817.db2.gz PCSTWCLHUCEOJQ-UHFFFAOYSA-N -1 1 339.334 2.212 20 0 EEADMM O=C(O[C@H]1CCc2cccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001593280057 1349759241 /nfs/dbraw/zinc/75/92/41/1349759241.db2.gz COGULMPJDFPKOU-LBPRGKRZSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(O[C@H]1CCc2cccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593280057 1349759244 /nfs/dbraw/zinc/75/92/44/1349759244.db2.gz COGULMPJDFPKOU-LBPRGKRZSA-N -1 1 325.303 2.245 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2sc(Cl)cc2C1 ZINC001593338858 1349784496 /nfs/dbraw/zinc/78/44/96/1349784496.db2.gz IKCGAAHJLXNYGE-UHFFFAOYSA-N -1 1 335.776 2.373 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2sc(Cl)cc2C1 ZINC001593338858 1349784500 /nfs/dbraw/zinc/78/45/00/1349784500.db2.gz IKCGAAHJLXNYGE-UHFFFAOYSA-N -1 1 335.776 2.373 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(c2ccco2)C1 ZINC001593370982 1349791530 /nfs/dbraw/zinc/79/15/30/1349791530.db2.gz IQZNHGNJAHIFLI-UHFFFAOYSA-N -1 1 327.369 2.451 20 0 EEADMM O=S(=O)(NCC1CCCCCC1)c1ccsc1-c1nn[n-]n1 ZINC001593435305 1349799948 /nfs/dbraw/zinc/79/99/48/1349799948.db2.gz KZRFGSXMXGQEEW-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543560 1349838959 /nfs/dbraw/zinc/83/89/59/1349838959.db2.gz SZMHZGXCPWNBCW-WFASDCNBSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@@H](C2CC2)[C@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543560 1349838964 /nfs/dbraw/zinc/83/89/64/1349838964.db2.gz SZMHZGXCPWNBCW-WFASDCNBSA-N -1 1 341.419 2.151 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001593572872 1349856648 /nfs/dbraw/zinc/85/66/48/1349856648.db2.gz HAPBPJSMHLNQIG-OAHLLOKOSA-N -1 1 333.355 2.068 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001593572872 1349856654 /nfs/dbraw/zinc/85/66/54/1349856654.db2.gz HAPBPJSMHLNQIG-OAHLLOKOSA-N -1 1 333.355 2.068 20 0 EEADMM c1ccc2c(c1)cccc2OCCOc1cnc(-c2nn[n-]n2)nc1 ZINC001593580046 1349860871 /nfs/dbraw/zinc/86/08/71/1349860871.db2.gz LDZIQXSAPFMAPR-UHFFFAOYSA-N -1 1 334.339 2.268 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(SCC2CCC3(CC2)OCCO3)c1 ZINC001593583606 1349864021 /nfs/dbraw/zinc/86/40/21/1349864021.db2.gz AWRDLJKQEFQJNC-UHFFFAOYSA-N -1 1 333.417 2.287 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(SCC2CCC3(CC2)OCCO3)c1 ZINC001593583606 1349864027 /nfs/dbraw/zinc/86/40/27/1349864027.db2.gz AWRDLJKQEFQJNC-UHFFFAOYSA-N -1 1 333.417 2.287 20 0 EEADMM c1nn(C2CCC2)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593594038 1349869167 /nfs/dbraw/zinc/86/91/67/1349869167.db2.gz YXOPEONZHCZNFR-UHFFFAOYSA-N -1 1 325.380 2.001 20 0 EEADMM c1nn(C2CCC2)cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593594038 1349869170 /nfs/dbraw/zinc/86/91/70/1349869170.db2.gz YXOPEONZHCZNFR-UHFFFAOYSA-N -1 1 325.380 2.001 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@H](C2CCOCC2)C1 ZINC001600012752 1349955451 /nfs/dbraw/zinc/95/54/51/1349955451.db2.gz PNKJTSAOVITZLX-LBPRGKRZSA-N -1 1 327.812 2.249 20 0 EEADMM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)ncn1 ZINC001600204577 1349992578 /nfs/dbraw/zinc/99/25/78/1349992578.db2.gz JIABFQRHGFSCHK-ZDUSSCGKSA-N -1 1 336.189 2.463 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC001600380079 1350035102 /nfs/dbraw/zinc/03/51/02/1350035102.db2.gz CFEZMSVOEXTEEG-QZTJIDSGSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1ccc([C@H]2CC(=O)N(CN3CCC4(C[C@@H]4C(=O)[O-])CC3)C2)cc1 ZINC001600398301 1350040481 /nfs/dbraw/zinc/04/04/81/1350040481.db2.gz QUWROZOMJDLGMZ-DLBZAZTESA-N -1 1 342.439 2.455 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCN2C(C)(C)C)C(=O)[O-])c1 ZINC001600526656 1350073449 /nfs/dbraw/zinc/07/34/49/1350073449.db2.gz DNHMIMOUOSGASX-JKSUJKDBSA-N -1 1 332.444 2.227 20 0 EEADMM Cc1cn2ccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)cc2n1 ZINC001600614515 1350098430 /nfs/dbraw/zinc/09/84/30/1350098430.db2.gz ARANGAVCSNEILF-UHFFFAOYSA-N -1 1 335.323 2.470 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001600643579 1350106696 /nfs/dbraw/zinc/10/66/96/1350106696.db2.gz UUTIKBNJRSCJID-UHFFFAOYSA-N -1 1 341.323 2.359 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@@H]3CCCn4nc(C(=O)[O-])cc43)c2[nH]1 ZINC001600720512 1350120875 /nfs/dbraw/zinc/12/08/75/1350120875.db2.gz HDCFYRZRWROVQR-LLVKDONJSA-N -1 1 339.355 2.031 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600754415 1350128862 /nfs/dbraw/zinc/12/88/62/1350128862.db2.gz NRAJYUINKOALFH-UHFFFAOYSA-N -1 1 336.351 2.455 20 0 EEADMM Cn1ccnc1C1(O)CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001600982664 1350182463 /nfs/dbraw/zinc/18/24/63/1350182463.db2.gz IVEOUTYDQMSWEI-UHFFFAOYSA-N -1 1 349.818 2.255 20 0 EEADMM NC(=O)[C@H](c1ccc(F)cc1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601139267 1350219481 /nfs/dbraw/zinc/21/94/81/1350219481.db2.gz IUJZKKQSWGTVNH-LPHOPBHVSA-N -1 1 342.370 2.080 20 0 EEADMM NC(=O)C1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001601143321 1350220080 /nfs/dbraw/zinc/22/00/80/1350220080.db2.gz DEGQGSPNZREGDA-LBPRGKRZSA-N -1 1 331.199 2.316 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CNC(=O)c2cccc(C(F)(F)F)c2O)C1(F)F ZINC001601528972 1350301123 /nfs/dbraw/zinc/30/11/23/1350301123.db2.gz GZLRRPPPGNPTJQ-YUMQZZPRSA-N -1 1 339.216 2.107 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(OC2CCCC2)c1 ZINC001601564909 1350307847 /nfs/dbraw/zinc/30/78/47/1350307847.db2.gz JESVTGMEPNEJQH-INIZCTEOSA-N -1 1 343.383 2.157 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001601565487 1350308071 /nfs/dbraw/zinc/30/80/71/1350308071.db2.gz CWYLCJUQNJICEM-ZDUSSCGKSA-N -1 1 329.356 2.183 20 0 EEADMM O=C([O-])[C@@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1F ZINC001601672818 1350334150 /nfs/dbraw/zinc/33/41/50/1350334150.db2.gz WPESLHOQHIZYKA-BZNIZROVSA-N -1 1 349.383 2.112 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001601693449 1350339431 /nfs/dbraw/zinc/33/94/31/1350339431.db2.gz IYLBORHFZCULOW-CYBMUJFWSA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])/C=C\c1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC001601878763 1350388001 /nfs/dbraw/zinc/38/80/01/1350388001.db2.gz JFXYGAVZIQFQOD-LJTDUEICSA-N -1 1 326.352 2.273 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC001601997625 1350414520 /nfs/dbraw/zinc/41/45/20/1350414520.db2.gz WHGAWFPIXROCMF-ZIAGYGMSSA-N -1 1 329.356 2.396 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C[C@H]2COc3ccccc3O2)C1 ZINC001602219674 1350469347 /nfs/dbraw/zinc/46/93/47/1350469347.db2.gz TYZYJHFGUKGGNC-TUAOUCFPSA-N -1 1 345.317 2.411 20 0 EEADMM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001602488055 1350530575 /nfs/dbraw/zinc/53/05/75/1350530575.db2.gz BHNMRMRBKIJTAR-SNVBAGLBSA-N -1 1 337.344 2.470 20 0 EEADMM O=C([O-])c1nc(CN[C@H]2CCC3(C[C@@H]2F)OCCO3)ccc1Cl ZINC001602568727 1350548930 /nfs/dbraw/zinc/54/89/30/1350548930.db2.gz HMYHXJBCZYHUGT-RYUDHWBXSA-N -1 1 344.770 2.157 20 0 EEADMM O=C([O-])c1nc(CN[C@H]2CCC3(C[C@H]2F)OCCO3)ccc1Cl ZINC001602568721 1350549103 /nfs/dbraw/zinc/54/91/03/1350549103.db2.gz HMYHXJBCZYHUGT-NEPJUHHUSA-N -1 1 344.770 2.157 20 0 EEADMM C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001603180731 1350657806 /nfs/dbraw/zinc/65/78/06/1350657806.db2.gz KNMSRLJVHIELNO-CHWSQXEVSA-N -1 1 348.399 2.319 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001603184963 1350658034 /nfs/dbraw/zinc/65/80/34/1350658034.db2.gz MKQWOKNYUWXYLB-CABZTGNLSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001603184963 1350658037 /nfs/dbraw/zinc/65/80/37/1350658037.db2.gz MKQWOKNYUWXYLB-CABZTGNLSA-N -1 1 332.433 2.178 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001603219561 1350664403 /nfs/dbraw/zinc/66/44/03/1350664403.db2.gz KYRZJMCINAEVFI-CYBMUJFWSA-N -1 1 326.360 2.024 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001603219561 1350664408 /nfs/dbraw/zinc/66/44/08/1350664408.db2.gz KYRZJMCINAEVFI-CYBMUJFWSA-N -1 1 326.360 2.024 20 0 EEADMM CC(C)CN(C(=O)NCc1nc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC001603287965 1350679801 /nfs/dbraw/zinc/67/98/01/1350679801.db2.gz GBWSNZRGYUMYFX-UHFFFAOYSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)CN(C(=O)NCc1nc(-c2nn[n-]n2)cs1)C1CCCC1 ZINC001603287965 1350679805 /nfs/dbraw/zinc/67/98/05/1350679805.db2.gz GBWSNZRGYUMYFX-UHFFFAOYSA-N -1 1 349.464 2.433 20 0 EEADMM CC(C)Cc1c[nH]c(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001603307622 1350684557 /nfs/dbraw/zinc/68/45/57/1350684557.db2.gz FQMRBEHJLTZITM-UHFFFAOYSA-N -1 1 340.391 2.246 20 0 EEADMM CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN[C@@H](C(=O)[O-])C1CC1 ZINC001603343542 1350691226 /nfs/dbraw/zinc/69/12/26/1350691226.db2.gz NHIODPLZQHGROF-MRXNPFEDSA-N -1 1 336.407 2.406 20 0 EEADMM CC(C)c1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)nc1 ZINC001603395517 1350700496 /nfs/dbraw/zinc/70/04/96/1350700496.db2.gz RLLNUUFFYKFAKP-UHFFFAOYSA-N -1 1 338.375 2.238 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC001603449467 1350707094 /nfs/dbraw/zinc/70/70/94/1350707094.db2.gz PUDAYGUFYLRUDW-VHSXEESVSA-N -1 1 340.342 2.239 20 0 EEADMM CC(C)(C)OC(=O)NCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001603461409 1350708313 /nfs/dbraw/zinc/70/83/13/1350708313.db2.gz JHBXMPDDRXFIDI-UHFFFAOYSA-N -1 1 344.358 2.376 20 0 EEADMM C[C@@H](COC(=O)c1coc(-c2nnn[n-]2)c1)COc1ccccc1 ZINC001603569343 1350721443 /nfs/dbraw/zinc/72/14/43/1350721443.db2.gz PEBHBXMJOLXRRB-LLVKDONJSA-N -1 1 328.328 2.332 20 0 EEADMM C[C@@H](COC(=O)c1coc(-c2nn[n-]n2)c1)COc1ccccc1 ZINC001603569343 1350721445 /nfs/dbraw/zinc/72/14/45/1350721445.db2.gz PEBHBXMJOLXRRB-LLVKDONJSA-N -1 1 328.328 2.332 20 0 EEADMM C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cn1)c1ccnn1-c1ccccc1 ZINC001603668017 1350738546 /nfs/dbraw/zinc/73/85/46/1350738546.db2.gz OAIQTTXFJFNHDC-CYBMUJFWSA-N -1 1 346.398 2.298 20 0 EEADMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cc(C(=O)[O-])no1 ZINC001603710307 1350747988 /nfs/dbraw/zinc/74/79/88/1350747988.db2.gz UIDVWBNFWBNYIV-MRXNPFEDSA-N -1 1 341.408 2.402 20 0 EEADMM CC(C)[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1nnc2ccccn21 ZINC001603737827 1350754920 /nfs/dbraw/zinc/75/49/20/1350754920.db2.gz RRALOUUKADBGTJ-HNNXBMFYSA-N -1 1 327.388 2.253 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2O1 ZINC001603794540 1350769197 /nfs/dbraw/zinc/76/91/97/1350769197.db2.gz LGWJZNHBEUZOOX-POBXSPIYSA-N -1 1 342.812 2.071 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2O1 ZINC001603794540 1350769198 /nfs/dbraw/zinc/76/91/98/1350769198.db2.gz LGWJZNHBEUZOOX-POBXSPIYSA-N -1 1 342.812 2.071 20 0 EEADMM CC1=C(C)C[C@](C)(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001603827502 1350777191 /nfs/dbraw/zinc/77/71/91/1350777191.db2.gz PIDUYZIGYYUQEI-OAHLLOKOSA-N -1 1 332.433 2.466 20 0 EEADMM CC1=C(C)C[C@](C)(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001603827502 1350777195 /nfs/dbraw/zinc/77/71/95/1350777195.db2.gz PIDUYZIGYYUQEI-OAHLLOKOSA-N -1 1 332.433 2.466 20 0 EEADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001603946153 1350810160 /nfs/dbraw/zinc/81/01/60/1350810160.db2.gz GWFARSYLYMKIFM-SVRRBLITSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001603946153 1350810162 /nfs/dbraw/zinc/81/01/62/1350810162.db2.gz GWFARSYLYMKIFM-SVRRBLITSA-N -1 1 348.716 2.071 20 0 EEADMM CCC(C)(C)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001603982219 1350819388 /nfs/dbraw/zinc/81/93/88/1350819388.db2.gz ZIUNETHSZGZCSB-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC(C)c1ncc(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)[nH]1 ZINC001604014227 1350829931 /nfs/dbraw/zinc/82/99/31/1350829931.db2.gz ZRKUCPPDHKMYGK-KDOFPFPSSA-N -1 1 327.384 2.408 20 0 EEADMM CCC(CC)[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604022742 1350832462 /nfs/dbraw/zinc/83/24/62/1350832462.db2.gz HPXVJJBXUPIZNS-NSHDSACASA-N -1 1 344.341 2.490 20 0 EEADMM CCC(CC)[C@@H](O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604022742 1350832465 /nfs/dbraw/zinc/83/24/65/1350832465.db2.gz HPXVJJBXUPIZNS-NSHDSACASA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@H](CNc1snc(C)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001604039155 1350836680 /nfs/dbraw/zinc/83/66/80/1350836680.db2.gz DFVZZRXUKZIKHO-SECBINFHSA-N -1 1 338.437 2.411 20 0 EEADMM CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1nc(C)cs1 ZINC001604050213 1350839753 /nfs/dbraw/zinc/83/97/53/1350839753.db2.gz RNTWRNAUVQNDJT-SECBINFHSA-N -1 1 344.404 2.299 20 0 EEADMM CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1nc(C)cs1 ZINC001604050213 1350839756 /nfs/dbraw/zinc/83/97/56/1350839756.db2.gz RNTWRNAUVQNDJT-SECBINFHSA-N -1 1 344.404 2.299 20 0 EEADMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1ccc(Cl)cn1)c1ccncc1 ZINC001604088081 1350852341 /nfs/dbraw/zinc/85/23/41/1350852341.db2.gz LXHVJKWTUOFRAA-INIZCTEOSA-N -1 1 348.790 2.048 20 0 EEADMM C[C@H](CC(=O)[O-])C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC001604094813 1350855453 /nfs/dbraw/zinc/85/54/53/1350855453.db2.gz DGJQBRQMGJAMRK-SECBINFHSA-N -1 1 325.434 2.349 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001604230498 1350898934 /nfs/dbraw/zinc/89/89/34/1350898934.db2.gz VKYULGACINYJCV-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001604230498 1350898937 /nfs/dbraw/zinc/89/89/37/1350898937.db2.gz VKYULGACINYJCV-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CCNc1ccc(Cl)cc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001604360139 1350923479 /nfs/dbraw/zinc/92/34/79/1350923479.db2.gz DSAGQGNKFXLPQU-UHFFFAOYSA-N -1 1 346.782 2.236 20 0 EEADMM CC1(C)CN(Cc2ccccc2)C[C@H](COC(=O)C2(C(=O)[O-])CC2)O1 ZINC001604545927 1350959055 /nfs/dbraw/zinc/95/90/55/1350959055.db2.gz JEEJOMMXJKFMPJ-OAHLLOKOSA-N -1 1 347.411 2.074 20 0 EEADMM CCc1nc(N[C@H]2CCc3ccc(F)cc32)cc(-c2nnn[n-]2)n1 ZINC001604562134 1350961674 /nfs/dbraw/zinc/96/16/74/1350961674.db2.gz LCGQFSGTPWEHPO-LBPRGKRZSA-N -1 1 325.351 2.458 20 0 EEADMM CCc1nc(N[C@H]2CCc3ccc(F)cc32)cc(-c2nn[n-]n2)n1 ZINC001604562134 1350961676 /nfs/dbraw/zinc/96/16/76/1350961676.db2.gz LCGQFSGTPWEHPO-LBPRGKRZSA-N -1 1 325.351 2.458 20 0 EEADMM CCc1nc(N[C@H](C)c2ccc3c(c2)CCO3)cc(-c2nnn[n-]2)n1 ZINC001604570160 1350961898 /nfs/dbraw/zinc/96/18/98/1350961898.db2.gz YCUHTWJHRBHLKB-SNVBAGLBSA-N -1 1 337.387 2.327 20 0 EEADMM CCc1nc(N[C@H](C)c2ccc3c(c2)CCO3)cc(-c2nn[n-]n2)n1 ZINC001604570160 1350961901 /nfs/dbraw/zinc/96/19/01/1350961901.db2.gz YCUHTWJHRBHLKB-SNVBAGLBSA-N -1 1 337.387 2.327 20 0 EEADMM CCc1nn(CC2CCC(C)CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001604579728 1350964194 /nfs/dbraw/zinc/96/41/94/1350964194.db2.gz BVMRWDSHGDZTKP-UHFFFAOYSA-N -1 1 330.436 2.375 20 0 EEADMM C[C@@H]1[C@@H](NCc2cc(C(=O)[O-])co2)CC(=O)N1Cc1ccccc1 ZINC001604645656 1350976247 /nfs/dbraw/zinc/97/62/47/1350976247.db2.gz LIINVDASJHCYCD-WBMJQRKESA-N -1 1 328.368 2.257 20 0 EEADMM C[C@@H]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)[C@H](C(N)=O)C1 ZINC001604757506 1350998109 /nfs/dbraw/zinc/99/81/09/1350998109.db2.gz SYPCHOOTUQYFGU-ABAIWWIYSA-N -1 1 327.384 2.019 20 0 EEADMM CN(CCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccc1 ZINC001604773638 1351000214 /nfs/dbraw/zinc/00/02/14/1351000214.db2.gz VLPGDIACBXZEEW-UHFFFAOYSA-N -1 1 336.403 2.082 20 0 EEADMM CN(CCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccc1 ZINC001604773638 1351000217 /nfs/dbraw/zinc/00/02/17/1351000217.db2.gz VLPGDIACBXZEEW-UHFFFAOYSA-N -1 1 336.403 2.082 20 0 EEADMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC001604827633 1351016973 /nfs/dbraw/zinc/01/69/73/1351016973.db2.gz KGUNXGOSCMULKL-OPYWOCCESA-N -1 1 331.416 2.320 20 0 EEADMM CCC(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001604865534 1351022433 /nfs/dbraw/zinc/02/24/33/1351022433.db2.gz YGZMNXHYXYKXMP-UHFFFAOYSA-N -1 1 348.380 2.482 20 0 EEADMM CC[C@H](C)N1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001604965251 1351040049 /nfs/dbraw/zinc/04/00/49/1351040049.db2.gz JWQBUBBWDYWPGJ-FZMZJTMJSA-N -1 1 335.448 2.317 20 0 EEADMM COC[C@@H](CNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001605056395 1351068414 /nfs/dbraw/zinc/06/84/14/1351068414.db2.gz QSUOAQXZWLVAAQ-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM COC[C@@H](CNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001605056395 1351068419 /nfs/dbraw/zinc/06/84/19/1351068419.db2.gz QSUOAQXZWLVAAQ-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM COc1ccc(C(C)(C)CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001605264279 1351119140 /nfs/dbraw/zinc/11/91/40/1351119140.db2.gz SGULLMYVKDUUCR-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ccc(C(C)(C)CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001605264279 1351119142 /nfs/dbraw/zinc/11/91/42/1351119142.db2.gz SGULLMYVKDUUCR-UHFFFAOYSA-N -1 1 325.376 2.055 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@H](C)CC2)cc1-c1nn[n-]n1 ZINC001605347069 1351142496 /nfs/dbraw/zinc/14/24/96/1351142496.db2.gz MQMAQDPMVBACQQ-WDEREUQCSA-N -1 1 345.407 2.361 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001605363077 1351144663 /nfs/dbraw/zinc/14/46/63/1351144663.db2.gz OXCNMNGLQGUCJJ-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM C[S@@](=O)Cc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001605363077 1351144665 /nfs/dbraw/zinc/14/46/65/1351144665.db2.gz OXCNMNGLQGUCJJ-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1-c1ncco1 ZINC001605498630 1351172433 /nfs/dbraw/zinc/17/24/33/1351172433.db2.gz FMTQFWYIPBCPRS-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1-c1ncco1 ZINC001605498630 1351172438 /nfs/dbraw/zinc/17/24/38/1351172438.db2.gz FMTQFWYIPBCPRS-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CCOC(=O)C1(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)CCC1 ZINC001605517229 1351176780 /nfs/dbraw/zinc/17/67/80/1351176780.db2.gz IMBLIQUFOJPSOW-UHFFFAOYSA-N -1 1 345.355 2.323 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001605563312 1351190812 /nfs/dbraw/zinc/19/08/12/1351190812.db2.gz JMKQRZHYUFXQDY-KCQAQPDRSA-N -1 1 349.431 2.360 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001605563312 1351190815 /nfs/dbraw/zinc/19/08/15/1351190815.db2.gz JMKQRZHYUFXQDY-KCQAQPDRSA-N -1 1 349.431 2.360 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001605560457 1351190956 /nfs/dbraw/zinc/19/09/56/1351190956.db2.gz USGVGDVVUTUXIP-MWLCHTKSSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 ZINC001605560457 1351190959 /nfs/dbraw/zinc/19/09/59/1351190959.db2.gz USGVGDVVUTUXIP-MWLCHTKSSA-N -1 1 342.325 2.116 20 0 EEADMM CCc1nc(C[NH2+]Cc2ccccc2OCC(=O)[O-])ccc1C(=O)[O-] ZINC001605850091 1351236100 /nfs/dbraw/zinc/23/61/00/1351236100.db2.gz ABCUGVKINUSKAK-UHFFFAOYSA-N -1 1 344.367 2.095 20 0 EEADMM Cc1ccc(Cn2cccc(-c3nn[n-]n3)c2=O)cc1Br ZINC001605861797 1351240061 /nfs/dbraw/zinc/24/00/61/1351240061.db2.gz ZMVKVMLSZJJHPJ-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM Cc1ccc2[nH]c(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)c(Cl)c2c1 ZINC001605887055 1351246483 /nfs/dbraw/zinc/24/64/83/1351246483.db2.gz BYRDZKJHMFAVJB-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1ccc2[nH]c(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)c(Cl)c2c1 ZINC001605887055 1351246488 /nfs/dbraw/zinc/24/64/88/1351246488.db2.gz BYRDZKJHMFAVJB-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3cccnc3-c3nnn[n-]3)ccc2n1 ZINC001605889283 1351247439 /nfs/dbraw/zinc/24/74/39/1351247439.db2.gz AHTZXHCDGSIYLV-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ccc2cc(C(=O)OCc3cccnc3-c3nn[n-]n3)ccc2n1 ZINC001605889283 1351247441 /nfs/dbraw/zinc/24/74/41/1351247441.db2.gz AHTZXHCDGSIYLV-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1[nH]nc(NCc2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC001606014077 1351263528 /nfs/dbraw/zinc/26/35/28/1351263528.db2.gz PGXBETOIRDRWLD-UHFFFAOYSA-N -1 1 339.281 2.409 20 0 EEADMM Cc1[nH]nc(NCc2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC001606014077 1351263533 /nfs/dbraw/zinc/26/35/33/1351263533.db2.gz PGXBETOIRDRWLD-UHFFFAOYSA-N -1 1 339.281 2.409 20 0 EEADMM Cc1[nH]nc(NC(=O)CC[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC001606013366 1351263672 /nfs/dbraw/zinc/26/36/72/1351263672.db2.gz NLXLEZGBUDLLIJ-GFCCVEGCSA-N -1 1 337.387 2.347 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCOc2ccccc2[C@@H]1C ZINC001606165427 1351279776 /nfs/dbraw/zinc/27/97/76/1351279776.db2.gz FMFHWBUUNGBZOP-JTQLQIEISA-N -1 1 339.355 2.364 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCOc2ccccc2[C@@H]1C ZINC001606165427 1351279780 /nfs/dbraw/zinc/27/97/80/1351279780.db2.gz FMFHWBUUNGBZOP-JTQLQIEISA-N -1 1 339.355 2.364 20 0 EEADMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001606498867 1351312517 /nfs/dbraw/zinc/31/25/17/1351312517.db2.gz QBCFLSMTXPKUHU-YUMQZZPRSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(CCCc1ccccc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606516979 1351315336 /nfs/dbraw/zinc/31/53/36/1351315336.db2.gz DUKBVDBWTGXFBV-UHFFFAOYSA-N -1 1 337.387 2.429 20 0 EEADMM O=C(CCCF)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001606519150 1351315677 /nfs/dbraw/zinc/31/56/77/1351315677.db2.gz JBVNLLSIQIQNOX-UHFFFAOYSA-N -1 1 333.245 2.454 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606654976 1351337884 /nfs/dbraw/zinc/33/78/84/1351337884.db2.gz ATTUVGDKXMOQTG-PBINXNQUSA-N -1 1 333.392 2.162 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606654976 1351337887 /nfs/dbraw/zinc/33/78/87/1351337887.db2.gz ATTUVGDKXMOQTG-PBINXNQUSA-N -1 1 333.392 2.162 20 0 EEADMM O=C(NC[C@H](O)c1cccc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606705072 1351344651 /nfs/dbraw/zinc/34/46/51/1351344651.db2.gz ORSIGAWMIXCBDS-HNNXBMFYSA-N -1 1 349.350 2.076 20 0 EEADMM O=C(NC[C@H](O)c1cccc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606705072 1351344653 /nfs/dbraw/zinc/34/46/53/1351344653.db2.gz ORSIGAWMIXCBDS-HNNXBMFYSA-N -1 1 349.350 2.076 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1cccc(O)c1Br ZINC001606785422 1351356415 /nfs/dbraw/zinc/35/64/15/1351356415.db2.gz OMORUUXKASJWCS-CYBMUJFWSA-N -1 1 332.194 2.124 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1c[nH]cc1C1CC1 ZINC001606816690 1351359852 /nfs/dbraw/zinc/35/98/52/1351359852.db2.gz OXCGUSGFWCWNKO-UHFFFAOYSA-N -1 1 344.325 2.280 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1c[nH]cc1C1CC1 ZINC001606816690 1351359857 /nfs/dbraw/zinc/35/98/57/1351359857.db2.gz OXCGUSGFWCWNKO-UHFFFAOYSA-N -1 1 344.325 2.280 20 0 EEADMM O=C(OC[C@@H]1CCCc2cccnc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606967176 1351386911 /nfs/dbraw/zinc/38/69/11/1351386911.db2.gz ANAWUXOVNKFISR-NSHDSACASA-N -1 1 325.328 2.132 20 0 EEADMM COCc1nc(NC(=O)c2cc(-c3ccco3)n[nH]2)sc1C(=O)[O-] ZINC001606977647 1351389947 /nfs/dbraw/zinc/38/99/47/1351389947.db2.gz FHSSLBWLBSZWIZ-UHFFFAOYSA-N -1 1 348.340 2.223 20 0 EEADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCc2nc(F)ccc21 ZINC001606994113 1351394435 /nfs/dbraw/zinc/39/44/35/1351394435.db2.gz PDIIGLYYUCDNPD-UHFFFAOYSA-N -1 1 349.329 2.085 20 0 EEADMM OC[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001607103976 1351419707 /nfs/dbraw/zinc/41/97/07/1351419707.db2.gz FHKGDQWQGZPJOR-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001607103976 1351419710 /nfs/dbraw/zinc/41/97/10/1351419710.db2.gz FHKGDQWQGZPJOR-PSASIEDQSA-N -1 1 342.325 2.244 20 0 EEADMM c1c(N[C@H](C2CC2)[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114442 1351424068 /nfs/dbraw/zinc/42/40/68/1351424068.db2.gz KJGWQICIYYHJPT-DZGCQCFKSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@H](C2CC2)[C@@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114442 1351424069 /nfs/dbraw/zinc/42/40/69/1351424069.db2.gz KJGWQICIYYHJPT-DZGCQCFKSA-N -1 1 341.419 2.294 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC001607215814 1351450963 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CC(C)c1ccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)cc1 ZINC001380896083 1381427304 /nfs/dbraw/zinc/42/73/04/1381427304.db2.gz QDNYONNHIDCZRO-UHFFFAOYSA-N -1 1 343.431 2.076 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)C1(C)CC1 ZINC001381026584 1381490515 /nfs/dbraw/zinc/49/05/15/1381490515.db2.gz HHHRJOMRNLBTNF-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])CC1 ZINC001385016613 1385345413 /nfs/dbraw/zinc/34/54/13/1385345413.db2.gz WAOWGFCWALKAIS-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CCNC(=O)CC1CC1 ZINC001385016712 1385345748 /nfs/dbraw/zinc/34/57/48/1385345748.db2.gz GMEOAKLEXBMERK-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)[C@H](C)C(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385468136 1385597479 /nfs/dbraw/zinc/59/74/79/1385597479.db2.gz NJQRWTVYMYUDOR-ZDUSSCGKSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)c1ccoc1C(=O)NCCCN(Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001752274397 1406255029 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1401944917 /nfs/dbraw/zinc/94/49/17/1401944917.db2.gz YHFAFQQUCUSRMW-GJZGRUSLSA-N -1 1 347.459 2.438 20 0 EEADMM CCC(C)(C)CC(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001427459643 1402425783 /nfs/dbraw/zinc/42/57/83/1402425783.db2.gz WAFHTMJATIBKEV-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c(C)s1 ZINC001427609220 1402506620 /nfs/dbraw/zinc/50/66/20/1402506620.db2.gz FZNNHCHXTLIGBX-JTQLQIEISA-N -1 1 347.440 2.356 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)cc1 ZINC001427900451 1402553970 /nfs/dbraw/zinc/55/39/70/1402553970.db2.gz WRXFVTWWZSTBBD-OAHLLOKOSA-N -1 1 339.395 2.034 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1CC(C)(C)C1 ZINC001431793306 1403128407 /nfs/dbraw/zinc/12/84/07/1403128407.db2.gz FTNKGJVLAUCOKB-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(CCC1CCCC1)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC001431989412 1403178123 /nfs/dbraw/zinc/17/81/23/1403178123.db2.gz FLZLIGOJFNKCOY-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 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Cc1nsc(NC(=O)N(C)[C@H](C)c2ccccn2)c1-c1nn[n-]n1 ZINC001592480304 1404696765 /nfs/dbraw/zinc/69/67/65/1404696765.db2.gz XPFWIYUQHXCWOR-SECBINFHSA-N -1 1 344.404 2.252 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1cc(F)ccc1Cl ZINC001592915445 1404729298 /nfs/dbraw/zinc/72/92/98/1404729298.db2.gz VTXZIWPNGNFUKM-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1cc(F)ccc1Cl ZINC001592915445 1404729301 /nfs/dbraw/zinc/72/93/01/1404729301.db2.gz VTXZIWPNGNFUKM-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(NCCOC1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593096602 1404741025 /nfs/dbraw/zinc/74/10/25/1404741025.db2.gz NAYHIYGHLJNTKP-UHFFFAOYSA-N -1 1 333.367 2.085 20 0 EEADMM O=C(NCCOC1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593096602 1404741032 /nfs/dbraw/zinc/74/10/32/1404741032.db2.gz NAYHIYGHLJNTKP-UHFFFAOYSA-N -1 1 333.367 2.085 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC001606020254 1404756138 /nfs/dbraw/zinc/75/61/38/1404756138.db2.gz 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CC(C)(C)C1CC(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000941155487 779994511 /nfs/dbraw/zinc/99/45/11/779994511.db2.gz ZIIKNWCOINFYJY-JXQTWKCFSA-N -1 1 345.443 2.190 20 0 EEADMM COCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000323672800 780801885 /nfs/dbraw/zinc/80/18/85/780801885.db2.gz FQGQNOBFBWSCGH-UHFFFAOYSA-N -1 1 339.344 2.471 20 0 EEADMM N=C(Nc1cc(N2CCCCC2)ccn1)SCCS(=O)(=O)[O-] ZINC001168088703 783516750 /nfs/dbraw/zinc/51/67/50/783516750.db2.gz JYZWKSUCXQSRHZ-UHFFFAOYSA-N -1 1 344.462 2.040 20 0 EEADMM Cc1cc(C)c(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c(C)n1 ZINC000906691344 784102740 /nfs/dbraw/zinc/10/27/40/784102740.db2.gz FQENQMRKGSMTLM-UHFFFAOYSA-N -1 1 339.399 2.302 20 0 EEADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000945581351 784391369 /nfs/dbraw/zinc/39/13/69/784391369.db2.gz UNSFDXXIEQAHCQ-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](NC(=O)C1CC=CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945625320 784462015 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C[C@@H]1CCCN(C(=O)C=C2CCC2)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945754089 784778410 /nfs/dbraw/zinc/77/84/10/784778410.db2.gz KYYIVTSXMXUABU-UKRRQHHQSA-N -1 1 343.427 2.254 20 0 EEADMM O=C([N-]NC(=O)c1cccc(Cl)c1)c1cnc(C(F)(F)F)nc1 ZINC000186072099 784996156 /nfs/dbraw/zinc/99/61/56/784996156.db2.gz GPPNXKLBLFVGFG-UHFFFAOYSA-N -1 1 344.680 2.224 20 0 EEADMM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000819614415 785616749 /nfs/dbraw/zinc/61/67/49/785616749.db2.gz JWDAURRENBBGQA-AWEZNQCLSA-N -1 1 335.452 2.006 20 0 EEADMM CC(=CC(=O)n1ncc(-c2nn[n-]n2)c1N)c1cccc(Cl)c1 ZINC000819766149 785663975 /nfs/dbraw/zinc/66/39/75/785663975.db2.gz VPDZCWCBEVLQLT-VMPITWQZSA-N -1 1 329.751 2.043 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000908770742 785715380 /nfs/dbraw/zinc/71/53/80/785715380.db2.gz NRFIROSWEPBDMB-CQSZACIVSA-N -1 1 338.835 2.185 20 0 EEADMM CCOC(=O)N1CCC[C@@H](C(=O)n2[n-]c(=O)c3ccc(OC)cc32)C1 ZINC000819944603 785734689 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C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979704 786371991 /nfs/dbraw/zinc/37/19/91/786371991.db2.gz SZEAJHRTSIRRLR-LURJTMIESA-N -1 1 341.343 2.111 20 0 EEADMM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)c1[nH]nc2c1CCC2 ZINC000910066930 786427614 /nfs/dbraw/zinc/42/76/14/786427614.db2.gz BTRSECNFTRBXNW-KRWDZBQOSA-N -1 1 349.390 2.477 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000910093167 786442683 /nfs/dbraw/zinc/44/26/83/786442683.db2.gz HWVXKHSGKUIBOQ-KQTLUZQSSA-N -1 1 331.416 2.395 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-][C@@H]1CCSc2ccccc21 ZINC000820780349 786445936 /nfs/dbraw/zinc/44/59/36/786445936.db2.gz RPIHQPDLGUUENY-GFCCVEGCSA-N -1 1 346.499 2.320 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CC([C@H](F)C(=O)[O-])C3)n[nH]2)cc1C ZINC000910128596 786463727 /nfs/dbraw/zinc/46/37/27/786463727.db2.gz GSDJXQKIPRQJTC-HNNXBMFYSA-N -1 1 331.347 2.188 20 0 EEADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](CO)c2ccccn2)cnc1Cl ZINC000820855458 786498436 /nfs/dbraw/zinc/49/84/36/786498436.db2.gz HVILKLPLZVYHBT-GFCCVEGCSA-N -1 1 341.745 2.380 20 0 EEADMM CC(C)[C@H](C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)N(C)C ZINC000910229973 786539783 /nfs/dbraw/zinc/53/97/83/786539783.db2.gz UEPRWDUVLUHSCH-QMTHXVAHSA-N -1 1 326.368 2.202 20 0 EEADMM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(O)c(Cl)c1 ZINC000910235579 786558430 /nfs/dbraw/zinc/55/84/30/786558430.db2.gz IWUORUJSPXQFRU-BXKDBHETSA-N -1 1 327.764 2.045 20 0 EEADMM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000821195092 786631466 /nfs/dbraw/zinc/63/14/66/786631466.db2.gz LDDIBOSZCQLZOK-CVEARBPZSA-N -1 1 327.432 2.483 20 0 EEADMM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCc1cnc[nH]1)C(=O)[O-] ZINC000910315250 786644928 /nfs/dbraw/zinc/64/49/28/786644928.db2.gz OZTKXMHLQOHCCC-INIZCTEOSA-N -1 1 335.791 2.198 20 0 EEADMM COC(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821670140 786836194 /nfs/dbraw/zinc/83/61/94/786836194.db2.gz OTKLPQSISRRAPD-UHFFFAOYSA-N -1 1 344.352 2.072 20 0 EEADMM COC(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821670140 786836207 /nfs/dbraw/zinc/83/62/07/786836207.db2.gz OTKLPQSISRRAPD-UHFFFAOYSA-N -1 1 344.352 2.072 20 0 EEADMM CSc1nc(C)c(CCC(=O)NN2[C@H](C)CCC[C@@H]2C)c(=O)[n-]1 ZINC000821692548 786852712 /nfs/dbraw/zinc/85/27/12/786852712.db2.gz FNJAQBGCBNICFG-PHIMTYICSA-N -1 1 338.477 2.439 20 0 EEADMM O=C([O-])c1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000911096396 787240183 /nfs/dbraw/zinc/24/01/83/787240183.db2.gz RDOUGNFWIAINSV-INIZCTEOSA-N -1 1 342.395 2.474 20 0 EEADMM Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)oc1C(=O)[O-] ZINC000911105295 787246077 /nfs/dbraw/zinc/24/60/77/787246077.db2.gz TYNAUMZJESQKEV-CYBMUJFWSA-N -1 1 334.347 2.458 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccccc2C(F)(F)F)C1 ZINC000911151415 787272406 /nfs/dbraw/zinc/27/24/06/787272406.db2.gz KZEOHHCGWDOPHZ-GFCCVEGCSA-N -1 1 344.333 2.118 20 0 EEADMM Cc1cc(C2CCN(C(=O)C3(C(=O)[O-])CC4(CCC4)C3)CC2)n[nH]1 ZINC000911651043 787621042 /nfs/dbraw/zinc/62/10/42/787621042.db2.gz LEIPMQITQGOELN-UHFFFAOYSA-N -1 1 331.416 2.459 20 0 EEADMM COC(=O)c1cc2ncoc2c([N-][C@H](C(=O)OC)C(F)(F)F)c1 ZINC001171014983 787702120 /nfs/dbraw/zinc/70/21/20/787702120.db2.gz KDNNXXVSSKOQHV-SNVBAGLBSA-N -1 1 332.234 2.130 20 0 EEADMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000911793914 787727292 /nfs/dbraw/zinc/72/72/92/787727292.db2.gz GJXARGFZWNTYPK-DJLDLDEBSA-N -1 1 330.306 2.149 20 0 EEADMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000828075711 788321478 /nfs/dbraw/zinc/32/14/78/788321478.db2.gz IHMWVXLIDUZXLJ-DTWKUNHWSA-N -1 1 340.239 2.118 20 0 EEADMM COc1cccc(C(C)(C)C(=O)N[C@@H](CCSC)c2nn[n-]n2)c1 ZINC000912858611 788415682 /nfs/dbraw/zinc/41/56/82/788415682.db2.gz VYGQYOCCGPUFIH-ZDUSSCGKSA-N -1 1 349.460 2.097 20 0 EEADMM CSCC[C@H](NC(=O)C[C@@H](C)c1ccccc1F)c1nn[n-]n1 ZINC000912860210 788419114 /nfs/dbraw/zinc/41/91/14/788419114.db2.gz LIWOLRYMVYWOGH-MFKMUULPSA-N -1 1 337.424 2.443 20 0 EEADMM CSCC[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1nn[n-]n1 ZINC000912860665 788420442 /nfs/dbraw/zinc/42/04/42/788420442.db2.gz SQFBADIDIBNNBB-QMMMGPOBSA-N -1 1 340.478 2.178 20 0 EEADMM CSCC[C@H](NC(=O)[C@H](C)Cc1ccccc1C)c1nn[n-]n1 ZINC000912862929 788425762 /nfs/dbraw/zinc/42/57/62/788425762.db2.gz FKFCFYBEQPZDHG-OCCSQVGLSA-N -1 1 333.461 2.297 20 0 EEADMM CSCC[C@H](NC(=O)Cc1coc2ccc(C)cc12)c1nn[n-]n1 ZINC000912863269 788426638 /nfs/dbraw/zinc/42/66/38/788426638.db2.gz RAEZHOJDOIJXNN-ZDUSSCGKSA-N -1 1 345.428 2.407 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)NC(=O)C1CCC1 ZINC001077700319 788488192 /nfs/dbraw/zinc/48/81/92/788488192.db2.gz AJXMDQBWFGCGTG-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CCN(C/C=C\Cl)CC2)c1[O-] ZINC000997027735 788492427 /nfs/dbraw/zinc/49/24/27/788492427.db2.gz XTXLWAYRIPPEKX-XICOKMJESA-N -1 1 326.828 2.007 20 0 EEADMM O=C(c1ccc(Br)cc1O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965828 788531728 /nfs/dbraw/zinc/53/17/28/788531728.db2.gz GZXJHGFOUIXUPK-JTQLQIEISA-N -1 1 337.177 2.250 20 0 EEADMM CCCOc1ccccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825342143 788579909 /nfs/dbraw/zinc/57/99/09/788579909.db2.gz NXIHPKNLEBYTPV-UHFFFAOYSA-N -1 1 342.359 2.133 20 0 EEADMM CCCOc1ccccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825342143 788579917 /nfs/dbraw/zinc/57/99/17/788579917.db2.gz NXIHPKNLEBYTPV-UHFFFAOYSA-N -1 1 342.359 2.133 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@@H]1c1cccnc1 ZINC000825425383 788630901 /nfs/dbraw/zinc/63/09/01/788630901.db2.gz SEAHOWIMBWJLPZ-CYBMUJFWSA-N -1 1 325.397 2.390 20 0 EEADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001060242782 788731740 /nfs/dbraw/zinc/73/17/40/788731740.db2.gz ZMCKTJZABLXUDY-LLVKDONJSA-N -1 1 333.417 2.054 20 0 EEADMM Cn1cc([C@@H]2CN(C(=O)c3cc4ccccc4cc3[O-])CCN2)cn1 ZINC000913474096 788917436 /nfs/dbraw/zinc/91/74/36/788917436.db2.gz ZXTGYGQWBVHVKC-KRWDZBQOSA-N -1 1 336.395 2.066 20 0 EEADMM C[C@@H]1CO[C@@H](C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1 ZINC000913481856 788931058 /nfs/dbraw/zinc/93/10/58/788931058.db2.gz BSFFYWZGQNCJRZ-BLLLJJGKSA-N -1 1 338.835 2.115 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C=C2CCCCC2)C1 ZINC001005953667 788999035 /nfs/dbraw/zinc/99/90/35/788999035.db2.gz VPYRVPFPSDRORE-CYBMUJFWSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(NCc1nc(C2CC2)no1)c1cc(Br)ccc1[O-] ZINC000055705933 789233032 /nfs/dbraw/zinc/23/30/32/789233032.db2.gz BZUJOCGXQMUYFT-UHFFFAOYSA-N -1 1 338.161 2.345 20 0 EEADMM Cc1nc(C[NH2+]C2CC(CNC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC001090994146 789292152 /nfs/dbraw/zinc/29/21/52/789292152.db2.gz OYADKFGNGGNBHY-UHFFFAOYSA-N -1 1 346.456 2.159 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844837024 789392698 /nfs/dbraw/zinc/39/26/98/789392698.db2.gz UVLFUPYUZIPSPK-BXKDBHETSA-N -1 1 333.356 2.120 20 0 EEADMM O=C(COC(=O)[C@H]1CCc2ccccc2C1)[N-]C(=O)c1ccccc1 ZINC000845215667 789662315 /nfs/dbraw/zinc/66/23/15/789662315.db2.gz XWDRILRGTUKVNV-KRWDZBQOSA-N -1 1 337.375 2.291 20 0 EEADMM O=C([N-]CCCOC(=O)c1cccc2c1OCCCO2)C(F)(F)F ZINC000845301084 789730515 /nfs/dbraw/zinc/73/05/15/789730515.db2.gz RELBEZYLGCWCKB-UHFFFAOYSA-N -1 1 347.289 2.073 20 0 EEADMM CCc1ccccc1CCN1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030242153 789865615 /nfs/dbraw/zinc/86/56/15/789865615.db2.gz QHWNKKRIJUPKGW-UHFFFAOYSA-N -1 1 325.412 2.006 20 0 EEADMM O=C(NC1CN([C@@H]2CCc3ccc(F)cc32)C1)c1ncccc1[O-] ZINC001030243782 789874884 /nfs/dbraw/zinc/87/48/84/789874884.db2.gz QYZMEPAPXYRGPA-OAHLLOKOSA-N -1 1 327.359 2.028 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1)N1CCCC1 ZINC001144561674 789938467 /nfs/dbraw/zinc/93/84/67/789938467.db2.gz LHLFQSLJZWAWKV-GFCCVEGCSA-N -1 1 339.386 2.440 20 0 EEADMM CC(C)c1nccc(N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001062923742 790019452 /nfs/dbraw/zinc/01/94/52/790019452.db2.gz ZHIMFXNWIZDSDX-CYBMUJFWSA-N -1 1 341.415 2.052 20 0 EEADMM CCc1oncc1C(=O)N(C(=S)[N-]C(=O)OC)c1ccccc1N ZINC001147503777 791847677 /nfs/dbraw/zinc/84/76/77/791847677.db2.gz HTEBUMYMBJVHPA-UHFFFAOYSA-N -1 1 348.384 2.107 20 0 EEADMM Cc1cc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001063936719 791996399 /nfs/dbraw/zinc/99/63/99/791996399.db2.gz FTPOAUREFLZKHT-JSGCOSHPSA-N -1 1 341.415 2.238 20 0 EEADMM CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2cccc(-c3ccccc3)c2[O-])C1 ZINC001148873030 792759545 /nfs/dbraw/zinc/75/95/45/792759545.db2.gz QVQFXWNZLPBCIL-HDJSIYSDSA-N -1 1 345.420 2.365 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCC[C@H](F)C(=O)C1 ZINC001148984097 792842086 /nfs/dbraw/zinc/84/20/86/792842086.db2.gz LBEAZAGAKNJMOT-QMMMGPOBSA-N -1 1 346.152 2.004 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1ncc(F)cn1 ZINC001064395552 793025589 /nfs/dbraw/zinc/02/55/89/793025589.db2.gz MDARPITVDRODAF-YPMHNXCESA-N -1 1 345.378 2.069 20 0 EEADMM CCc1nc(C)cc(NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001064897523 793933631 /nfs/dbraw/zinc/93/36/31/793933631.db2.gz OQOYIDJEYLLNLG-ZDUSSCGKSA-N -1 1 341.415 2.165 20 0 EEADMM CCCN(CC)c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 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O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823154516 606495829 /nfs/dbraw/zinc/49/58/29/606495829.db2.gz DUZWGSMSHZQXJL-JTQLQIEISA-N -1 1 327.369 2.182 20 0 EEADMM O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823154516 606495831 /nfs/dbraw/zinc/49/58/31/606495831.db2.gz DUZWGSMSHZQXJL-JTQLQIEISA-N -1 1 327.369 2.182 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000819817729 606500988 /nfs/dbraw/zinc/50/09/88/606500988.db2.gz KRSFEMGHRZLYSO-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000819817729 606500990 /nfs/dbraw/zinc/50/09/90/606500990.db2.gz KRSFEMGHRZLYSO-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(C)CCOc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000820076152 606531737 /nfs/dbraw/zinc/53/17/37/606531737.db2.gz CTSAIZZLNKQBSQ-UHFFFAOYSA-N -1 1 341.375 2.267 20 0 EEADMM CC(C)CCOc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000820076152 606531738 /nfs/dbraw/zinc/53/17/38/606531738.db2.gz 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606930319 /nfs/dbraw/zinc/93/03/19/606930319.db2.gz KLVLMIDNVIPKON-NWDGAFQWSA-N -1 1 334.401 2.433 20 0 EEADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821367467 606930320 /nfs/dbraw/zinc/93/03/20/606930320.db2.gz KLVLMIDNVIPKON-NWDGAFQWSA-N -1 1 334.401 2.433 20 0 EEADMM Cc1ccc(-c2cnc(Cn3cccc(-c4nn[n-]n4)c3=O)o2)cc1 ZINC000822214103 607158442 /nfs/dbraw/zinc/15/84/42/607158442.db2.gz POWIUQQRBIRVOO-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(F)cc1[O-] ZINC000820541743 607159560 /nfs/dbraw/zinc/15/95/60/607159560.db2.gz INQXWRJJTSBXGY-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(-c2nnn[n-]2)s1 ZINC000823171611 607163841 /nfs/dbraw/zinc/16/38/41/607163841.db2.gz XIMFIYFKKPEWFO-ZOWXZIJZSA-N -1 1 337.408 2.244 20 0 EEADMM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(-c2nn[n-]n2)s1 ZINC000823171611 607163843 /nfs/dbraw/zinc/16/38/43/607163843.db2.gz XIMFIYFKKPEWFO-ZOWXZIJZSA-N -1 1 337.408 2.244 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1c(Cl)cccc1Cl ZINC000826425204 608013152 /nfs/dbraw/zinc/01/31/52/608013152.db2.gz UDOCZVQFGPBCJT-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1c(Cl)cccc1Cl ZINC000826425204 608013153 /nfs/dbraw/zinc/01/31/53/608013153.db2.gz UDOCZVQFGPBCJT-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM CCCCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)n1 ZINC000825300594 608302619 /nfs/dbraw/zinc/30/26/19/608302619.db2.gz BLMLXUHHIVRYDU-UHFFFAOYSA-N -1 1 345.432 2.163 20 0 EEADMM CCCCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)n1 ZINC000825300594 608302621 /nfs/dbraw/zinc/30/26/21/608302621.db2.gz BLMLXUHHIVRYDU-UHFFFAOYSA-N -1 1 345.432 2.163 20 0 EEADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000826507685 608305706 /nfs/dbraw/zinc/30/57/06/608305706.db2.gz UPAURGQKOFHLGX-LLVKDONJSA-N -1 1 348.769 2.070 20 0 EEADMM OC[C@@H](Cc1ccc(F)cc1)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000826507685 608305708 /nfs/dbraw/zinc/30/57/08/608305708.db2.gz UPAURGQKOFHLGX-LLVKDONJSA-N -1 1 348.769 2.070 20 0 EEADMM CC(=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)nc1C ZINC000824025053 608405659 /nfs/dbraw/zinc/40/56/59/608405659.db2.gz UCVXINCGKFXBFY-UHFFFAOYSA-N -1 1 349.807 2.495 20 0 EEADMM CC(=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)nc1C ZINC000824025053 608405660 /nfs/dbraw/zinc/40/56/60/608405660.db2.gz UCVXINCGKFXBFY-UHFFFAOYSA-N -1 1 349.807 2.495 20 0 EEADMM CC(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)nc1C ZINC000824025182 608405732 /nfs/dbraw/zinc/40/57/32/608405732.db2.gz WLBGTDFRZRIMNW-UHFFFAOYSA-N -1 1 343.778 2.433 20 0 EEADMM CC(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)nc1C ZINC000824025182 608405733 /nfs/dbraw/zinc/40/57/33/608405733.db2.gz WLBGTDFRZRIMNW-UHFFFAOYSA-N -1 1 343.778 2.433 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825615920 608436941 /nfs/dbraw/zinc/43/69/41/608436941.db2.gz PNTPPQZTIOKBPY-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CCOc1cc(Cl)ccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825615920 608436942 /nfs/dbraw/zinc/43/69/42/608436942.db2.gz PNTPPQZTIOKBPY-UHFFFAOYSA-N -1 1 331.767 2.321 20 0 EEADMM CC(C)(C)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824080467 608520585 /nfs/dbraw/zinc/52/05/85/608520585.db2.gz XWCSTMDBUWUGPL-UHFFFAOYSA-N -1 1 348.476 2.009 20 0 EEADMM O=C(Nc1ccccc1)c1ccc(Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000826457228 608888582 /nfs/dbraw/zinc/88/85/82/608888582.db2.gz RXFRVDCRLZWGFR-UHFFFAOYSA-N -1 1 345.366 2.364 20 0 EEADMM O=C(Nc1ccccc1)c1ccc(Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000826457228 608888583 /nfs/dbraw/zinc/88/85/83/608888583.db2.gz RXFRVDCRLZWGFR-UHFFFAOYSA-N -1 1 345.366 2.364 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC(C)(C)CC(C)(C)C2)n1 ZINC000826356927 609271517 /nfs/dbraw/zinc/27/15/17/609271517.db2.gz LBJBDPYSIAQZRB-UHFFFAOYSA-N -1 1 346.439 2.327 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC(C)(C)CC(C)(C)C2)n1 ZINC000826356927 609271518 /nfs/dbraw/zinc/27/15/18/609271518.db2.gz LBJBDPYSIAQZRB-UHFFFAOYSA-N -1 1 346.439 2.327 20 0 EEADMM CCOC(=O)c1cnc(Oc2cccc(F)c2-c2nnn[n-]2)nc1C ZINC000825565023 609317705 /nfs/dbraw/zinc/31/77/05/609317705.db2.gz JZVBZMNINBKYKZ-UHFFFAOYSA-N -1 1 344.306 2.073 20 0 EEADMM CCOC(=O)c1cnc(Oc2cccc(F)c2-c2nn[n-]n2)nc1C ZINC000825565023 609317707 /nfs/dbraw/zinc/31/77/07/609317707.db2.gz JZVBZMNINBKYKZ-UHFFFAOYSA-N -1 1 344.306 2.073 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3cc(C)ccc3F)C2)c1[O-] ZINC000969500674 675075730 /nfs/dbraw/zinc/07/57/30/675075730.db2.gz UIXOOTKBNBQFJV-LLVKDONJSA-N -1 1 346.406 2.122 20 0 EEADMM CCn1c(CCNC(=O)Cc2cccc3cccnc32)n[n-]c1=S ZINC000067075485 675128448 /nfs/dbraw/zinc/12/84/48/675128448.db2.gz PIWHXVTZLGIGRV-UHFFFAOYSA-N -1 1 341.440 2.410 20 0 EEADMM COc1cc[n-]c(=NNC(=O)N[C@H](C)c2cc(C)ccc2OC)n1 ZINC000045120726 676169089 /nfs/dbraw/zinc/16/90/89/676169089.db2.gz BGWWHKTZKDZUGJ-LLVKDONJSA-N -1 1 331.376 2.190 20 0 EEADMM O=C(NCc1cnc2n1CCOC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000890847324 675677956 /nfs/dbraw/zinc/67/79/56/675677956.db2.gz 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PGPYFWITPBVASI-CYBMUJFWSA-N -1 1 346.456 2.255 20 0 EEADMM CCC(=O)N1CCc2c(CNC(=O)c3ncccc3[O-])cccc2C1 ZINC000964382083 1218315183 /nfs/dbraw/zinc/31/51/83/1218315183.db2.gz JGWWASCBRHEIAY-UHFFFAOYSA-N -1 1 339.395 2.012 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)c1ncccc1[O-])[C@]12C[C@H]1CCC2 ZINC000964480097 1218401533 /nfs/dbraw/zinc/40/15/33/1218401533.db2.gz MSDBVKRLEQTZHK-PJIJBLCYSA-N -1 1 343.427 2.088 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ncccc1[O-] ZINC000964849550 1218672927 /nfs/dbraw/zinc/67/29/27/1218672927.db2.gz OBUXDNKLQAGCSC-OAHLLOKOSA-N -1 1 339.395 2.212 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H](CN(C)C(=O)c2ncccc2[O-])C1 ZINC000965933866 1219373674 /nfs/dbraw/zinc/37/36/74/1219373674.db2.gz HIKDQIQAOVTJDD-CQSZACIVSA-N -1 1 331.416 2.064 20 0 EEADMM C[C@H]1CN(C(=O)CCC2CCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000966110364 1219523956 /nfs/dbraw/zinc/52/39/56/1219523956.db2.gz NICGBTLWOBUBKU-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967009560 1220195731 /nfs/dbraw/zinc/19/57/31/1220195731.db2.gz IDFNQMCECNIMEO-WTKLMOFPSA-N -1 1 331.416 2.110 20 0 EEADMM CCN(C(=O)[C@@H]1CCCC[C@H]1C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968301666 1221190841 /nfs/dbraw/zinc/19/08/41/1221190841.db2.gz ZTXABUJPQIGILX-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCCCN2C/C=C\Cl)c1[O-] ZINC000968809445 1221587590 /nfs/dbraw/zinc/58/75/90/1221587590.db2.gz KGEUGDPCROSDCN-SMYYYNMVSA-N -1 1 326.828 2.151 20 0 EEADMM C/C(=C\C(=O)N1C[C@H](CNC(=O)c2ncccc2[O-])C[C@H]1C)C1CC1 ZINC001010031973 1223513732 /nfs/dbraw/zinc/51/37/32/1223513732.db2.gz JDBYSLSKAZWPGX-YJPQANQASA-N -1 1 343.427 2.110 20 0 EEADMM CC1(C)CC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)C1 ZINC001010856127 1223940949 /nfs/dbraw/zinc/94/09/49/1223940949.db2.gz NLSYLXMIXVJATP-CQSZACIVSA-N -1 1 344.459 2.186 20 0 EEADMM C=Cc1ccc(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC001011037847 1224022675 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EEADMM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1Nc1cnoc1C)OCC ZINC001210578097 1325340616 /nfs/dbraw/zinc/34/06/16/1325340616.db2.gz NJYSNEDEKQCOIL-UHFFFAOYSA-N -1 1 340.405 2.453 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc2ccccc2o1 ZINC001295469659 1329814025 /nfs/dbraw/zinc/81/40/25/1329814025.db2.gz SOJSGBGKOGHFCQ-LLVKDONJSA-N -1 1 339.351 2.082 20 0 EEADMM NCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)co1 ZINC001601190418 1350229071 /nfs/dbraw/zinc/22/90/71/1350229071.db2.gz ITABPFLNQFYXEK-LBPRGKRZSA-N -1 1 342.273 2.313 20 0 EEADMM O=C([O-])c1csc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)c1 ZINC001602563493 1350547558 /nfs/dbraw/zinc/54/75/58/1350547558.db2.gz UGWDKKDKJVMJEO-UHFFFAOYSA-N -1 1 328.353 2.408 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001605060171 1351069137 /nfs/dbraw/zinc/06/91/37/1351069137.db2.gz VEIWLWYAATUHGZ-ZDUSSCGKSA-N -1 1 347.329 2.043 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001605060171 1351069139 /nfs/dbraw/zinc/06/91/39/1351069139.db2.gz VEIWLWYAATUHGZ-ZDUSSCGKSA-N -1 1 347.329 2.043 20 0 EEADMM COc1ccc(Cc2noc(-c3ccc(-c4nn[n-]n4)o3)n2)c(F)c1 ZINC001605289882 1351126057 /nfs/dbraw/zinc/12/60/57/1351126057.db2.gz NXZLCFFQYZUTCW-UHFFFAOYSA-N -1 1 342.290 2.248 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CCc2ncncc2C1 ZINC001301708670 1331309290 /nfs/dbraw/zinc/30/92/90/1331309290.db2.gz DKAGXTLPUSSHLM-GFCCVEGCSA-N -1 1 335.367 2.112 20 0 EEADMM Cc1oc(-c2ccccc2)cc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC001306472809 1331471967 /nfs/dbraw/zinc/47/19/67/1331471967.db2.gz GLZXTOVRSWKEFS-UHFFFAOYSA-N -1 1 346.368 2.029 20 0 EEADMM Cc1oc(-c2ccccc2)cc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC001306472809 1331471970 /nfs/dbraw/zinc/47/19/70/1331471970.db2.gz GLZXTOVRSWKEFS-UHFFFAOYSA-N -1 1 346.368 2.029 20 0 EEADMM Nc1ncc(Br)cc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001413839036 1331607082 /nfs/dbraw/zinc/60/70/82/1331607082.db2.gz RGPJFPHYRJNPAV-UHFFFAOYSA-N -1 1 340.152 2.201 20 0 EEADMM C[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc(Cl)nc1F ZINC001309628781 1331636930 /nfs/dbraw/zinc/63/69/30/1331636930.db2.gz ZQLMFEYBGSOIKP-SECBINFHSA-N -1 1 329.784 2.179 20 0 EEADMM O=C([O-])[C@H]1[C@@H](CNCc2nnc(-c3ccccc3)s2)C1(F)F ZINC001608597384 1351722889 /nfs/dbraw/zinc/72/28/89/1351722889.db2.gz LLEZMCGWGIAOER-MWLCHTKSSA-N -1 1 325.340 2.261 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2noc3ccc(F)cc23)sn1 ZINC001309780875 1331641787 /nfs/dbraw/zinc/64/17/87/1331641787.db2.gz MQYTUZMNEDLZFL-UHFFFAOYSA-N -1 1 327.362 2.210 20 0 EEADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCC=CCCC1 ZINC001309939224 1331648422 /nfs/dbraw/zinc/64/84/22/1331648422.db2.gz WFDHRROOMCVODY-GFCCVEGCSA-N -1 1 341.433 2.001 20 0 EEADMM O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001608706986 1351746007 /nfs/dbraw/zinc/74/60/07/1351746007.db2.gz CGSHZLPWWBPZSX-CQSZACIVSA-N -1 1 334.372 2.043 20 0 EEADMM O=C([O-])c1cnc(CNC[C@H](CO)Cc2ccc(F)c(F)c2)s1 ZINC001608972786 1351805502 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CC(F)(F)c1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001609117495 1351850386 /nfs/dbraw/zinc/85/03/86/1351850386.db2.gz RCNVXUUFTICYCR-UHFFFAOYSA-N -1 1 344.325 2.303 20 0 EEADMM CC1(C)CN(c2c3ccccc3nnc2-c2nnn[n-]2)CC(C)(C)O1 ZINC001609147564 1351861911 /nfs/dbraw/zinc/86/19/11/1351861911.db2.gz YPXVGUPHCOWNKK-UHFFFAOYSA-N -1 1 339.403 2.204 20 0 EEADMM CC1(C)CN(c2c3ccccc3nnc2-c2nn[n-]n2)CC(C)(C)O1 ZINC001609147564 1351861912 /nfs/dbraw/zinc/86/19/12/1351861912.db2.gz YPXVGUPHCOWNKK-UHFFFAOYSA-N -1 1 339.403 2.204 20 0 EEADMM CC[C@@H](C)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609185544 1351880514 /nfs/dbraw/zinc/88/05/14/1351880514.db2.gz JRIUFPNIKIEVDB-XCBNKYQSSA-N -1 1 330.314 2.099 20 0 EEADMM CC[C@@H](C)[C@@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609185544 1351880518 /nfs/dbraw/zinc/88/05/18/1351880518.db2.gz JRIUFPNIKIEVDB-XCBNKYQSSA-N -1 1 330.314 2.099 20 0 EEADMM CCCCCC[C@@H](C)NC(=O)COc1cccnc1-c1nnn[n-]1 ZINC001609209352 1351892378 /nfs/dbraw/zinc/89/23/78/1351892378.db2.gz ZXTZJTBZXRKPLV-GFCCVEGCSA-N -1 1 332.408 2.116 20 0 EEADMM CCCCCC[C@@H](C)NC(=O)COc1cccnc1-c1nn[n-]n1 ZINC001609209352 1351892379 /nfs/dbraw/zinc/89/23/79/1351892379.db2.gz ZXTZJTBZXRKPLV-GFCCVEGCSA-N -1 1 332.408 2.116 20 0 EEADMM CC(C)CO[N-]C(=O)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001327503156 1334303064 /nfs/dbraw/zinc/30/30/64/1334303064.db2.gz PRVQZJKUSOSBCP-QGZVFWFLSA-N -1 1 347.459 2.034 20 0 EEADMM COC(=O)c1csc(Sc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001609306351 1351926151 /nfs/dbraw/zinc/92/61/51/1351926151.db2.gz GKPPFOXEANDPJJ-UHFFFAOYSA-N -1 1 337.361 2.400 20 0 EEADMM COc1cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1C ZINC001609343881 1351939690 /nfs/dbraw/zinc/93/96/90/1351939690.db2.gz LSGCRRLOZYBORR-UHFFFAOYSA-N -1 1 341.346 2.253 20 0 EEADMM COc1cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1C ZINC001609343881 1351939692 /nfs/dbraw/zinc/93/96/92/1351939692.db2.gz LSGCRRLOZYBORR-UHFFFAOYSA-N -1 1 341.346 2.253 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)nc1-c1nnn[n-]1 ZINC001609425489 1351972450 /nfs/dbraw/zinc/97/24/50/1351972450.db2.gz RQFZSAWVIJTMJD-MHEUCROKSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)nc1-c1nn[n-]n1 ZINC001609425489 1351972458 /nfs/dbraw/zinc/97/24/58/1351972458.db2.gz RQFZSAWVIJTMJD-MHEUCROKSA-N -1 1 342.447 2.336 20 0 EEADMM Cc1ccccc1Cn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001609437297 1351976933 /nfs/dbraw/zinc/97/69/33/1351976933.db2.gz XBEMZHJMSGNERN-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC001609434306 1351975392 /nfs/dbraw/zinc/97/53/92/1351975392.db2.gz RYQLUXYNPKCDBU-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1[nH]nc(NC(=O)C[C@@H](C)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC001609444639 1351980576 /nfs/dbraw/zinc/98/05/76/1351980576.db2.gz LYVQJBMJICXTIT-SSDOTTSWSA-N -1 1 347.329 2.309 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC001609467035 1351988876 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EEADMM CC(=O)c1ccccc1OCCN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001609630534 1352045635 /nfs/dbraw/zinc/04/56/35/1352045635.db2.gz PNORQTHREUJNSQ-ZYUBPSHWSA-N -1 1 347.411 2.363 20 0 EEADMM CC[C@@H](F)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001337210752 1336664209 /nfs/dbraw/zinc/66/42/09/1336664209.db2.gz FPYUEKVSPVBLMX-LLVKDONJSA-N -1 1 332.397 2.109 20 0 EEADMM C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001609862531 1352105662 /nfs/dbraw/zinc/10/56/62/1352105662.db2.gz PBBIRABHANMERN-BDJLRTHQSA-N -1 1 328.368 2.259 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1cccc(Cl)c1 ZINC001609866692 1352106811 /nfs/dbraw/zinc/10/68/11/1352106811.db2.gz FEZREXXHACOAFV-ZDUSSCGKSA-N -1 1 338.835 2.280 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(C)(F)F)cc1 ZINC001609871778 1352108051 /nfs/dbraw/zinc/10/80/51/1352108051.db2.gz RABZPHOYEOCLOU-GFCCVEGCSA-N -1 1 340.370 2.419 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1cccc(F)c1F ZINC001609872109 1352108110 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20 0 EEADMM COc1cccc(/C(C)=C\C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001610355063 1352210161 /nfs/dbraw/zinc/21/01/61/1352210161.db2.gz CSTCESZHTIWACB-QKXCFHHRSA-N -1 1 346.427 2.106 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC001610488705 1352231530 /nfs/dbraw/zinc/23/15/30/1352231530.db2.gz RSNYRISQWHDART-CVEARBPZSA-N -1 1 332.400 2.275 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@](C)(N)c2ccccc2)C(=O)[O-])cc1 ZINC001610491417 1352232099 /nfs/dbraw/zinc/23/20/99/1352232099.db2.gz BWGKOUQGMAAJKZ-VQIMIIECSA-N -1 1 326.396 2.154 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)N2CCCC2)o1 ZINC001610492398 1352232516 /nfs/dbraw/zinc/23/25/16/1352232516.db2.gz GLTTWJIGMVVCPT-ILXRZTDVSA-N -1 1 349.431 2.230 20 0 EEADMM CC1(CC(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001413994557 1339056699 /nfs/dbraw/zinc/05/66/99/1339056699.db2.gz VHZRGFRCOMQLNI-KBPBESRZSA-N -1 1 343.427 2.135 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001610544292 1352242514 /nfs/dbraw/zinc/24/25/14/1352242514.db2.gz RTDSHEOKKYANDZ-UHFFFAOYSA-N -1 1 342.355 2.410 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccc(O)cc3)c2[nH]1 ZINC001610558836 1352244447 /nfs/dbraw/zinc/24/44/47/1352244447.db2.gz GZDZESYXBGSBJR-AWEZNQCLSA-N -1 1 325.324 2.133 20 0 EEADMM O=C([O-])CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001610766228 1352270731 /nfs/dbraw/zinc/27/07/31/1352270731.db2.gz CMQTXTUGFLWQEX-SNVBAGLBSA-N -1 1 340.401 2.104 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc2[nH]nnc2c1 ZINC001610802171 1352277298 /nfs/dbraw/zinc/27/72/98/1352277298.db2.gz ITCCGXAISPSGMT-HOTGVXAUSA-N -1 1 336.351 2.388 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429478940 1339920971 /nfs/dbraw/zinc/92/09/71/1339920971.db2.gz RUIDHOYPRNWZAM-CQSZACIVSA-N -1 1 333.432 2.144 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(C)c(C)s1 ZINC001429556075 1339942832 /nfs/dbraw/zinc/94/28/32/1339942832.db2.gz DXMYFJSGGRUUPN-UHFFFAOYSA-N -1 1 347.440 2.358 20 0 EEADMM O=C(c1ccc(F)c([O-])c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001433617633 1341639197 /nfs/dbraw/zinc/63/91/97/1341639197.db2.gz YDYWVDQUBOJZAE-OAHLLOKOSA-N -1 1 328.343 2.235 20 0 EEADMM CC1(C)CO[C@@H](CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575738095 1343865866 /nfs/dbraw/zinc/86/58/66/1343865866.db2.gz FYEZAGUSIYDLES-JTQLQIEISA-N -1 1 335.433 2.140 20 0 EEADMM CCCCC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001577416466 1344144924 /nfs/dbraw/zinc/14/49/24/1344144924.db2.gz HLLYRNUOOUTRGZ-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)NC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001577416466 1344144927 /nfs/dbraw/zinc/14/49/27/1344144927.db2.gz HLLYRNUOOUTRGZ-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCN(CC)c1nnc(CC(C)C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577906450 1344212235 /nfs/dbraw/zinc/21/22/35/1344212235.db2.gz ZXGLRMSWCBOQSU-UHFFFAOYSA-N -1 1 344.423 2.144 20 0 EEADMM CCN(CC)c1nnc(CC(C)C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577906450 1344212238 /nfs/dbraw/zinc/21/22/38/1344212238.db2.gz ZXGLRMSWCBOQSU-UHFFFAOYSA-N -1 1 344.423 2.144 20 0 EEADMM COc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001579929525 1344434027 /nfs/dbraw/zinc/43/40/27/1344434027.db2.gz PMCWIXDBFMFXAK-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1cc(Cl)ccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001579929525 1344434032 /nfs/dbraw/zinc/43/40/32/1344434032.db2.gz PMCWIXDBFMFXAK-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C)n1 ZINC001580042264 1344455772 /nfs/dbraw/zinc/45/57/72/1344455772.db2.gz WIKDKYFYZXXRNH-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM COc1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C)n1 ZINC001580042264 1344455775 /nfs/dbraw/zinc/45/57/75/1344455775.db2.gz WIKDKYFYZXXRNH-UHFFFAOYSA-N -1 1 346.297 2.109 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001581215696 1344600270 /nfs/dbraw/zinc/60/02/70/1344600270.db2.gz FEFBSGVBLXGPOU-YNEHKIRRSA-N -1 1 334.383 2.097 20 0 EEADMM Cc1ccccc1COC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581259862 1344608370 /nfs/dbraw/zinc/60/83/70/1344608370.db2.gz PJMHSHVPYFVEDV-UHFFFAOYSA-N -1 1 330.373 2.058 20 0 EEADMM Cc1ccccc1COC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581259862 1344608376 /nfs/dbraw/zinc/60/83/76/1344608376.db2.gz PJMHSHVPYFVEDV-UHFFFAOYSA-N -1 1 330.373 2.058 20 0 EEADMM Cc1nc(NC[C@]2(O)CCCC(C)(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001581513014 1344633084 /nfs/dbraw/zinc/63/30/84/1344633084.db2.gz JKFXKWQZQMJCFC-INIZCTEOSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1nc(NC[C@]2(O)CCCC(C)(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001581513014 1344633087 /nfs/dbraw/zinc/63/30/87/1344633087.db2.gz JKFXKWQZQMJCFC-INIZCTEOSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1nsc(NC(=O)CCOc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001581683698 1344653293 /nfs/dbraw/zinc/65/32/93/1344653293.db2.gz JNRSFWCCEUVWRI-UHFFFAOYSA-N -1 1 348.363 2.178 20 0 EEADMM Cc1nsc(NC(=O)CCOc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001581683698 1344653299 /nfs/dbraw/zinc/65/32/99/1344653299.db2.gz JNRSFWCCEUVWRI-UHFFFAOYSA-N -1 1 348.363 2.178 20 0 EEADMM Cc1nsc(N[C@H](C)[C@H](C)NC(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581686973 1344654138 /nfs/dbraw/zinc/65/41/38/1344654138.db2.gz XMJTUFBTRZPGPV-DTWKUNHWSA-N -1 1 349.464 2.127 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001581745451 1344658514 /nfs/dbraw/zinc/65/85/14/1344658514.db2.gz FFXWJJCXOUROPT-RISCZKNCSA-N -1 1 343.778 2.252 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001581745451 1344658518 /nfs/dbraw/zinc/65/85/18/1344658518.db2.gz FFXWJJCXOUROPT-RISCZKNCSA-N -1 1 343.778 2.252 20 0 EEADMM O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582176889 1344708992 /nfs/dbraw/zinc/70/89/92/1344708992.db2.gz PBQUAZTXOSIINJ-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582176889 1344708995 /nfs/dbraw/zinc/70/89/95/1344708995.db2.gz PBQUAZTXOSIINJ-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(NCc1csc(C(F)(F)F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001582558005 1344762354 /nfs/dbraw/zinc/76/23/54/1344762354.db2.gz CMTMFMIDFOJEOU-UHFFFAOYSA-N -1 1 343.290 2.470 20 0 EEADMM O=C(NCc1csc(C(F)(F)F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001582558005 1344762360 /nfs/dbraw/zinc/76/23/60/1344762360.db2.gz CMTMFMIDFOJEOU-UHFFFAOYSA-N -1 1 343.290 2.470 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc(Cl)sc1Cl ZINC001582649973 1344777565 /nfs/dbraw/zinc/77/75/65/1344777565.db2.gz KFLIMGKSBLOOBK-UHFFFAOYSA-N -1 1 330.160 2.210 20 0 EEADMM O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC(c2nn[n-]n2)CC1 ZINC001587868628 1348873754 /nfs/dbraw/zinc/87/37/54/1348873754.db2.gz CDVLCJSCWRVWES-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM CC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001588767855 1348933368 /nfs/dbraw/zinc/93/33/68/1348933368.db2.gz GSHVBJZFRDELAD-VMPITWQZSA-N -1 1 329.751 2.285 20 0 EEADMM CC(=O)c1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001588915002 1348947233 /nfs/dbraw/zinc/94/72/33/1348947233.db2.gz GSGWAWRGFCGCJF-UHFFFAOYSA-N -1 1 341.396 2.103 20 0 EEADMM CC(=O)c1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001588915002 1348947237 /nfs/dbraw/zinc/94/72/37/1348947237.db2.gz GSGWAWRGFCGCJF-UHFFFAOYSA-N -1 1 341.396 2.103 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589093434 1348958772 /nfs/dbraw/zinc/95/87/72/1348958772.db2.gz ZSNNJBKMRILOQA-UHFFFAOYSA-N -1 1 344.391 2.409 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1O ZINC001589104502 1348961041 /nfs/dbraw/zinc/96/10/41/1348961041.db2.gz DPKCLSYNDVCZTO-KOLCDFICSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1O ZINC001589104502 1348961044 /nfs/dbraw/zinc/96/10/44/1348961044.db2.gz DPKCLSYNDVCZTO-KOLCDFICSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)OC(=O)CCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589152004 1348965867 /nfs/dbraw/zinc/96/58/67/1348965867.db2.gz ZMAURONKKZWVNR-UHFFFAOYSA-N -1 1 347.375 2.023 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c(-c2nnn[n-]2)s1 ZINC001589214919 1348970915 /nfs/dbraw/zinc/97/09/15/1348970915.db2.gz QZMWFYDVFKAYGO-CQFDHEJISA-N -1 1 345.428 2.389 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)c(-c2nn[n-]n2)s1 ZINC001589214919 1348970916 /nfs/dbraw/zinc/97/09/16/1348970916.db2.gz QZMWFYDVFKAYGO-CQFDHEJISA-N -1 1 345.428 2.389 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589489936 1348995204 /nfs/dbraw/zinc/99/52/04/1348995204.db2.gz DXMMFVUXUPDMBG-QLJPJBMISA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589489936 1348995207 /nfs/dbraw/zinc/99/52/07/1348995207.db2.gz DXMMFVUXUPDMBG-QLJPJBMISA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(n2)CNCC3)cc1 ZINC001589638534 1349014286 /nfs/dbraw/zinc/01/42/86/1349014286.db2.gz JFEZEIIRHUHMGK-UHFFFAOYSA-N -1 1 339.395 2.342 20 0 EEADMM C[C@]1(C(F)F)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC001590072942 1349138917 /nfs/dbraw/zinc/13/89/17/1349138917.db2.gz JWDMRICGSBKLSB-MRXNPFEDSA-N -1 1 346.341 2.275 20 0 EEADMM C[C@]1(C(F)F)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC001590072942 1349138931 /nfs/dbraw/zinc/13/89/31/1349138931.db2.gz JWDMRICGSBKLSB-MRXNPFEDSA-N -1 1 346.341 2.275 20 0 EEADMM C[C@]1(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1(Cl)Cl ZINC001590123575 1349164837 /nfs/dbraw/zinc/16/48/37/1349164837.db2.gz QTVUOJUSNVQIFJ-NSHDSACASA-N -1 1 327.175 2.174 20 0 EEADMM C[C@]1(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1(Cl)Cl ZINC001590123575 1349164842 /nfs/dbraw/zinc/16/48/42/1349164842.db2.gz QTVUOJUSNVQIFJ-NSHDSACASA-N -1 1 327.175 2.174 20 0 EEADMM CC1=Nc2ccccc2C12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001590163155 1349180480 /nfs/dbraw/zinc/18/04/80/1349180480.db2.gz RZPGGGXCMVNXLS-UHFFFAOYSA-N -1 1 346.398 2.301 20 0 EEADMM CC1=Nc2ccccc2C12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001590163155 1349180485 /nfs/dbraw/zinc/18/04/85/1349180485.db2.gz RZPGGGXCMVNXLS-UHFFFAOYSA-N -1 1 346.398 2.301 20 0 EEADMM C[C@H]1C[C@@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CCO1 ZINC001590191112 1349193199 /nfs/dbraw/zinc/19/31/99/1349193199.db2.gz DVKGSRBIHDIFCU-UWVGGRQHSA-N -1 1 331.401 2.058 20 0 EEADMM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)[C@@H]1C ZINC001590249070 1349224898 /nfs/dbraw/zinc/22/48/98/1349224898.db2.gz APCRJZAZJNSGKP-BBBLOLIVSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590252821 1349228649 /nfs/dbraw/zinc/22/86/49/1349228649.db2.gz DJJBAWLPJJLRCC-MNOVXSKESA-N -1 1 332.433 2.049 20 0 EEADMM C[C@@H]1CCCC[C@@H]1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590252821 1349228654 /nfs/dbraw/zinc/22/86/54/1349228654.db2.gz DJJBAWLPJJLRCC-MNOVXSKESA-N -1 1 332.433 2.049 20 0 EEADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590323859 1349262912 /nfs/dbraw/zinc/26/29/12/1349262912.db2.gz JAVXTZSDDYANAD-SNVBAGLBSA-N -1 1 333.417 2.102 20 0 EEADMM C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590323859 1349262919 /nfs/dbraw/zinc/26/29/19/1349262919.db2.gz JAVXTZSDDYANAD-SNVBAGLBSA-N -1 1 333.417 2.102 20 0 EEADMM CCC(C)(C)CC(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001590375885 1349291153 /nfs/dbraw/zinc/29/11/53/1349291153.db2.gz XEFXBULAIUPTRR-UHFFFAOYSA-N -1 1 340.391 2.212 20 0 EEADMM CC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1cccc(C)c1 ZINC001590445937 1349328261 /nfs/dbraw/zinc/32/82/61/1349328261.db2.gz LTNOOAQYVSHHLI-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1cccc(C)c1 ZINC001590445937 1349328274 /nfs/dbraw/zinc/32/82/74/1349328274.db2.gz LTNOOAQYVSHHLI-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc(OC)c(OC)c1 ZINC001590472247 1349346441 /nfs/dbraw/zinc/34/64/41/1349346441.db2.gz CMFVCDOBFNGMFC-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc(OC)c(OC)c1 ZINC001590472247 1349346445 /nfs/dbraw/zinc/34/64/45/1349346445.db2.gz CMFVCDOBFNGMFC-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](OC)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001590478438 1349349351 /nfs/dbraw/zinc/34/93/51/1349349351.db2.gz UEPSOCXACDTECY-QMMMGPOBSA-N -1 1 345.281 2.129 20 0 EEADMM CC[C@H](O)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC001590477140 1349349968 /nfs/dbraw/zinc/34/99/68/1349349968.db2.gz NVHUUISOYVPLAL-ZETCQYMHSA-N -1 1 333.339 2.452 20 0 EEADMM CCC1CCC(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590504662 1349358764 /nfs/dbraw/zinc/35/87/64/1349358764.db2.gz JHAAQQKPALSOFY-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM CCC1CCC(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590504662 1349358758 /nfs/dbraw/zinc/35/87/58/1349358758.db2.gz JHAAQQKPALSOFY-UHFFFAOYSA-N -1 1 349.464 2.339 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001590538952 1349365042 /nfs/dbraw/zinc/36/50/42/1349365042.db2.gz UPXQYLONNABLQG-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001590538952 1349365048 /nfs/dbraw/zinc/36/50/48/1349365048.db2.gz UPXQYLONNABLQG-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCC[C@@H](OC)C(=O)N(CCC)c1snc(C)c1-c1nnn[n-]1 ZINC001590559703 1349371232 /nfs/dbraw/zinc/37/12/32/1349371232.db2.gz JBFNRSKHVSCIDJ-SNVBAGLBSA-N -1 1 338.437 2.190 20 0 EEADMM CCC[C@@H](OC)C(=O)N(CCC)c1snc(C)c1-c1nn[n-]n1 ZINC001590559703 1349371237 /nfs/dbraw/zinc/37/12/37/1349371237.db2.gz JBFNRSKHVSCIDJ-SNVBAGLBSA-N -1 1 338.437 2.190 20 0 EEADMM CCCc1occc1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001590663310 1349385059 /nfs/dbraw/zinc/38/50/59/1349385059.db2.gz VKCXNQUGGQFDJQ-UHFFFAOYSA-N -1 1 332.389 2.454 20 0 EEADMM CCCc1occc1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001590663310 1349385064 /nfs/dbraw/zinc/38/50/64/1349385064.db2.gz VKCXNQUGGQFDJQ-UHFFFAOYSA-N -1 1 332.389 2.454 20 0 EEADMM COC(=O)c1cc(C)sc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591287704 1349456792 /nfs/dbraw/zinc/45/67/92/1349456792.db2.gz DESSLGUWIOVJIR-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM CO[C@@H]1Cc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc2C1 ZINC001591363037 1349473142 /nfs/dbraw/zinc/47/31/42/1349473142.db2.gz YWCNKSQOASPUMJ-GFCCVEGCSA-N -1 1 328.401 2.049 20 0 EEADMM CO[C@@H]1Cc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc2C1 ZINC001591363037 1349473150 /nfs/dbraw/zinc/47/31/50/1349473150.db2.gz YWCNKSQOASPUMJ-GFCCVEGCSA-N -1 1 328.401 2.049 20 0 EEADMM COc1cccc2c1CCN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001591642864 1349519830 /nfs/dbraw/zinc/51/98/30/1349519830.db2.gz NRJUFKKMXPTSOE-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1cccc2c1CCN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001591642864 1349519837 /nfs/dbraw/zinc/51/98/37/1349519837.db2.gz NRJUFKKMXPTSOE-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1ccccc1[C@H](C)CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001591646387 1349523995 /nfs/dbraw/zinc/52/39/95/1349523995.db2.gz LPENRHZHXZHOEA-SECBINFHSA-N -1 1 341.375 2.039 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC001591732726 1349535861 /nfs/dbraw/zinc/53/58/61/1349535861.db2.gz LWKJKTMBOSHVNN-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC001591732726 1349535865 /nfs/dbraw/zinc/53/58/65/1349535865.db2.gz LWKJKTMBOSHVNN-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM Cc1cc(C)n2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2n1 ZINC001591957497 1349567026 /nfs/dbraw/zinc/56/70/26/1349567026.db2.gz ZZNLIZGXYAODGL-UHFFFAOYSA-N -1 1 349.354 2.089 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001591990806 1349579814 /nfs/dbraw/zinc/57/98/14/1349579814.db2.gz HPJAKFPHQAYKRU-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001591990806 1349579825 /nfs/dbraw/zinc/57/98/25/1349579825.db2.gz HPJAKFPHQAYKRU-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(N[C@H](C)c2ccc([S@@](C)=O)cc2)nc(-c2nnn[n-]2)c1 ZINC001592034817 1349586612 /nfs/dbraw/zinc/58/66/12/1349586612.db2.gz NXIGRBPQMGTNNU-YDGUKXNOSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1cc(N[C@H](C)c2ccc([S@@](C)=O)cc2)nc(-c2nn[n-]n2)c1 ZINC001592034817 1349586615 /nfs/dbraw/zinc/58/66/15/1349586615.db2.gz NXIGRBPQMGTNNU-YDGUKXNOSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC(Cc2cccnc2)CC1 ZINC001592109814 1349592317 /nfs/dbraw/zinc/59/23/17/1349592317.db2.gz DBCSKSDSPRHYEG-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2c1CCC2 ZINC001592132433 1349595132 /nfs/dbraw/zinc/59/51/32/1349595132.db2.gz HSLUIKLOHGTJFA-UHFFFAOYSA-N -1 1 326.385 2.373 20 0 EEADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2c1CCC2 ZINC001592132433 1349595134 /nfs/dbraw/zinc/59/51/34/1349595134.db2.gz HSLUIKLOHGTJFA-UHFFFAOYSA-N -1 1 326.385 2.373 20 0 EEADMM Cc1cccc(N2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)c1C ZINC001592234140 1349613404 /nfs/dbraw/zinc/61/34/04/1349613404.db2.gz YMVWGFXSWMQUTP-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cccc(N2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)c1C ZINC001592234140 1349613410 /nfs/dbraw/zinc/61/34/10/1349613410.db2.gz YMVWGFXSWMQUTP-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3ccccc3)C2)c1-c1nn[n-]n1 ZINC001592476376 1349635874 /nfs/dbraw/zinc/63/58/74/1349635874.db2.gz FPALFXIDBCRAES-GFCCVEGCSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)OC2CCCCC2)c1-c1nnn[n-]1 ZINC001592479051 1349635982 /nfs/dbraw/zinc/63/59/82/1349635982.db2.gz KPTAFTCNZJHPMJ-SECBINFHSA-N -1 1 336.421 2.308 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)OC2CCCCC2)c1-c1nn[n-]n1 ZINC001592479051 1349635983 /nfs/dbraw/zinc/63/59/83/1349635983.db2.gz KPTAFTCNZJHPMJ-SECBINFHSA-N -1 1 336.421 2.308 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC001592496836 1349637099 /nfs/dbraw/zinc/63/70/99/1349637099.db2.gz MGHNGUJHAIBJBB-LBPRGKRZSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC001592496836 1349637100 /nfs/dbraw/zinc/63/71/00/1349637100.db2.gz MGHNGUJHAIBJBB-LBPRGKRZSA-N -1 1 329.282 2.183 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC001592496525 1349637202 /nfs/dbraw/zinc/63/72/02/1349637202.db2.gz GHNBWXJFWXIIDV-CYBMUJFWSA-N -1 1 338.371 2.095 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC001592496525 1349637203 /nfs/dbraw/zinc/63/72/03/1349637203.db2.gz GHNBWXJFWXIIDV-CYBMUJFWSA-N -1 1 338.371 2.095 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cncc(Br)c1 ZINC001592502843 1349640595 /nfs/dbraw/zinc/64/05/95/1349640595.db2.gz KTXRBGFLLMJBHX-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cncc(Br)c1 ZINC001592502843 1349640598 /nfs/dbraw/zinc/64/05/98/1349640598.db2.gz KTXRBGFLLMJBHX-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1nc(C2CC2)cs1 ZINC001592504219 1349642731 /nfs/dbraw/zinc/64/27/31/1349642731.db2.gz ZGUJGYNVZBXPQT-UHFFFAOYSA-N -1 1 331.357 2.459 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1nc(C2CC2)cs1 ZINC001592504219 1349642734 /nfs/dbraw/zinc/64/27/34/1349642734.db2.gz ZGUJGYNVZBXPQT-UHFFFAOYSA-N -1 1 331.357 2.459 20 0 EEADMM Clc1cc(COc2cnc(-c3nn[n-]n3)nc2)c2ccccc2n1 ZINC001592525850 1349647471 /nfs/dbraw/zinc/64/74/71/1349647471.db2.gz FVZLDSLBNWORRO-UHFFFAOYSA-N -1 1 339.746 2.437 20 0 EEADMM Clc1cccc([C@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)c1 ZINC001592534897 1349650276 /nfs/dbraw/zinc/65/02/76/1349650276.db2.gz YLMPNOCILUOGNC-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1cccc([C@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)c1 ZINC001592534897 1349650277 /nfs/dbraw/zinc/65/02/77/1349650277.db2.gz YLMPNOCILUOGNC-CQSZACIVSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1cccc(Cn2nnc(-c3ccccc3)c2-c2nn[n-]n2)n1 ZINC001592534188 1349650451 /nfs/dbraw/zinc/65/04/51/1349650451.db2.gz HZIWIWYCJKZOAY-UHFFFAOYSA-N -1 1 338.762 2.222 20 0 EEADMM Clc1nc(N2CCC[C@H]2C2CCOCC2)sc1-c1nnn[n-]1 ZINC001592541438 1349654032 /nfs/dbraw/zinc/65/40/32/1349654032.db2.gz YMVOWGIJPBCVJT-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nc(N2CCC[C@H]2C2CCOCC2)sc1-c1nn[n-]n1 ZINC001592541438 1349654035 /nfs/dbraw/zinc/65/40/35/1349654035.db2.gz YMVOWGIJPBCVJT-VIFPVBQESA-N -1 1 340.840 2.372 20 0 EEADMM Fc1ccc([C@@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)c(F)c1 ZINC001592648587 1349693602 /nfs/dbraw/zinc/69/36/02/1349693602.db2.gz RZDSJCAJKUJUND-HNNXBMFYSA-N -1 1 344.325 2.118 20 0 EEADMM Fc1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)c(F)c1 ZINC001592648587 1349693606 /nfs/dbraw/zinc/69/36/06/1349693606.db2.gz RZDSJCAJKUJUND-HNNXBMFYSA-N -1 1 344.325 2.118 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001593137486 1349739908 /nfs/dbraw/zinc/73/99/08/1349739908.db2.gz FZGBVROUROFELJ-GXTWGEPZSA-N -1 1 344.444 2.258 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001593147247 1349742005 /nfs/dbraw/zinc/74/20/05/1349742005.db2.gz HMANHHCKYVDKAH-RBSFLKMASA-N -1 1 340.431 2.484 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001593147247 1349742010 /nfs/dbraw/zinc/74/20/10/1349742010.db2.gz HMANHHCKYVDKAH-RBSFLKMASA-N -1 1 340.431 2.484 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593242933 1349748198 /nfs/dbraw/zinc/74/81/98/1349748198.db2.gz FBMXFQGRJZXMQG-HTQZYQBOSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593242933 1349748201 /nfs/dbraw/zinc/74/82/01/1349748201.db2.gz FBMXFQGRJZXMQG-HTQZYQBOSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001593367577 1349791745 /nfs/dbraw/zinc/79/17/45/1349791745.db2.gz MNGLMMKKHLJHIZ-UHFFFAOYSA-N -1 1 345.309 2.053 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001593367577 1349791748 /nfs/dbraw/zinc/79/17/48/1349791748.db2.gz MNGLMMKKHLJHIZ-UHFFFAOYSA-N -1 1 345.309 2.053 20 0 EEADMM O=C1CCc2cc(NCc3csc(-c4nn[n-]n4)c3)ccc2N1 ZINC001593396746 1349797411 /nfs/dbraw/zinc/79/74/11/1349797411.db2.gz AIWNWPVZHUTLLM-UHFFFAOYSA-N -1 1 326.385 2.425 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1CC2(CCC2)CO1 ZINC001593493581 1349818476 /nfs/dbraw/zinc/81/84/76/1349818476.db2.gz BPLCZVGCINICJN-JTQLQIEISA-N -1 1 343.412 2.202 20 0 EEADMM O[C@@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)C1CCCC1 ZINC001593501887 1349822129 /nfs/dbraw/zinc/82/21/29/1349822129.db2.gz OZKGORHHHQLNLP-AWEZNQCLSA-N -1 1 339.403 2.163 20 0 EEADMM O[C@@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)C1CCCC1 ZINC001593501887 1349822132 /nfs/dbraw/zinc/82/21/32/1349822132.db2.gz OZKGORHHHQLNLP-AWEZNQCLSA-N -1 1 339.403 2.163 20 0 EEADMM c1sc(CNCc2ccccc2OCC2CC2)nc1-c1nnn[n-]1 ZINC001593576414 1349859556 /nfs/dbraw/zinc/85/95/56/1349859556.db2.gz BFMNDDYTNGTFIZ-UHFFFAOYSA-N -1 1 342.428 2.402 20 0 EEADMM c1sc(CNCc2ccccc2OCC2CC2)nc1-c1nn[n-]n1 ZINC001593576414 1349859557 /nfs/dbraw/zinc/85/95/57/1349859557.db2.gz BFMNDDYTNGTFIZ-UHFFFAOYSA-N -1 1 342.428 2.402 20 0 EEADMM Cc1c(C(=O)[O-])csc1NC(=O)c1cc(Br)n[nH]1 ZINC001600002845 1349953128 /nfs/dbraw/zinc/95/31/28/1349953128.db2.gz BCSPBVVLVDDZGK-UHFFFAOYSA-N -1 1 330.163 2.493 20 0 EEADMM Cc1cc(CNC2CC[NH+](CCCC(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600206922 1349992800 /nfs/dbraw/zinc/99/28/00/1349992800.db2.gz RZAZPVDYMAJBFL-UHFFFAOYSA-N -1 1 334.416 2.112 20 0 EEADMM Cc1cc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001600206922 1349992803 /nfs/dbraw/zinc/99/28/03/1349992803.db2.gz RZAZPVDYMAJBFL-UHFFFAOYSA-N -1 1 334.416 2.112 20 0 EEADMM Cc1cc(CNC[C@H](O)COc2ccc(F)c(F)c2)oc1C(=O)[O-] ZINC001600206903 1349992856 /nfs/dbraw/zinc/99/28/56/1349992856.db2.gz ISTFZIWTEXFOIW-JTQLQIEISA-N -1 1 341.310 2.094 20 0 EEADMM Cc1cc(NC(=O)CN2CCC[C@](C)(C(=O)[O-])C2)n(C(C)(C)C)n1 ZINC001600255160 1350002976 /nfs/dbraw/zinc/00/29/76/1350002976.db2.gz OBHXFTLKJFBPSS-KRWDZBQOSA-N -1 1 336.436 2.072 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC001600347268 1350025644 /nfs/dbraw/zinc/02/56/44/1350025644.db2.gz HVZVHOHTOVBVRY-ISVAXAHUSA-N -1 1 329.356 2.427 20 0 EEADMM Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c(C)c1 ZINC001600453561 1350056361 /nfs/dbraw/zinc/05/63/61/1350056361.db2.gz WIWOPCOFXIIRGT-ZIAGYGMSSA-N -1 1 347.415 2.137 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001600460369 1350057209 /nfs/dbraw/zinc/05/72/09/1350057209.db2.gz UBBBRRRVESUDLP-UHFFFAOYSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(c2ncccc2F)CC1 ZINC001600569541 1350085377 /nfs/dbraw/zinc/08/53/77/1350085377.db2.gz WKALXGDMCROOJP-INIZCTEOSA-N -1 1 329.375 2.477 20 0 EEADMM Cc1sc(NC(=O)CN(C)CC2(O)CCCC2)c(C(=O)[O-])c1C ZINC001600886019 1350160423 /nfs/dbraw/zinc/16/04/23/1350160423.db2.gz SEPYAIJRWCATAB-UHFFFAOYSA-N -1 1 340.445 2.239 20 0 EEADMM NC(=O)c1ccc(CN(Cc2ccc(C(=O)[O-])cn2)C2CC2)cc1 ZINC001601166073 1350223745 /nfs/dbraw/zinc/22/37/45/1350223745.db2.gz ZACRHOAMHITXJR-UHFFFAOYSA-N -1 1 325.368 2.043 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC001601442588 1350284786 /nfs/dbraw/zinc/28/47/86/1350284786.db2.gz KVILFYZBCFCYRZ-DLBZAZTESA-N -1 1 345.443 2.053 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)N[C@@H](c2ccccc2)C(F)F)CCC1 ZINC001601711832 1350345276 /nfs/dbraw/zinc/34/52/76/1350345276.db2.gz ARRAOCKDXQDSPO-NSHDSACASA-N -1 1 333.356 2.167 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC001601827552 1350374236 /nfs/dbraw/zinc/37/42/36/1350374236.db2.gz BJOCRGRVGZNBHX-LALPHHSUSA-N -1 1 327.384 2.411 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)Cc2ccccc21 ZINC001601846079 1350379655 /nfs/dbraw/zinc/37/96/55/1350379655.db2.gz VZFGMBAQLYCKMT-CYBMUJFWSA-N -1 1 333.290 2.495 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC001601969480 1350407590 /nfs/dbraw/zinc/40/75/90/1350407590.db2.gz XRZLNZQZTJXWFB-HZPDHXFCSA-N -1 1 348.468 2.070 20 0 EEADMM O=C([O-])CCN(Cc1cnc([C@@H]2CCCO2)s1)C[C@H]1CCCO1 ZINC001602008081 1350417813 /nfs/dbraw/zinc/41/78/13/1350417813.db2.gz IEQCXRUWZPRSNM-OCCSQVGLSA-N -1 1 340.445 2.450 20 0 EEADMM O=C([O-])CCN1CCC[C@H](N2CCC=C(c3ccccc3)C2)C1=O ZINC001602011133 1350418174 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/nfs/dbraw/zinc/00/65/61/1351006561.db2.gz BEDNBDXOKMFCFU-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001604871420 1351022979 /nfs/dbraw/zinc/02/29/79/1351022979.db2.gz HMEDHCYCSPVUCV-DLBZAZTESA-N -1 1 332.444 2.466 20 0 EEADMM COCCCOC1(COc2cccnc2-c2nnn[n-]2)CCCC1 ZINC001605089069 1351075957 /nfs/dbraw/zinc/07/59/57/1351075957.db2.gz MPZNLUBUXYWVPV-UHFFFAOYSA-N -1 1 333.392 2.006 20 0 EEADMM COCCCOC1(COc2cccnc2-c2nn[n-]n2)CCCC1 ZINC001605089069 1351075960 /nfs/dbraw/zinc/07/59/60/1351075960.db2.gz MPZNLUBUXYWVPV-UHFFFAOYSA-N -1 1 333.392 2.006 20 0 EEADMM CCC(O)(CC)C(C)(C)NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001605107832 1351079974 /nfs/dbraw/zinc/07/99/74/1351079974.db2.gz XQCVYTNZIHHRHV-UHFFFAOYSA-N -1 1 347.415 2.453 20 0 EEADMM CCC1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCC(F)(F)CC1 ZINC001605133145 1351084335 /nfs/dbraw/zinc/08/43/35/1351084335.db2.gz IUVCIRHCXYVCDI-NSHDSACASA-N -1 1 329.347 2.127 20 0 EEADMM CC[C@H]1CN(C)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001605174584 1351095249 /nfs/dbraw/zinc/09/52/49/1351095249.db2.gz XPGJGPLXDGNWDC-HRCADAONSA-N -1 1 331.416 2.433 20 0 EEADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])no2)CCN1Cc1ccccc1 ZINC001605180589 1351097377 /nfs/dbraw/zinc/09/73/77/1351097377.db2.gz ZLAXXADXZFSYEM-OAHLLOKOSA-N -1 1 329.400 2.469 20 0 EEADMM COc1cccc([C@@H]2C[C@@H](C)CN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001605319150 1351135234 /nfs/dbraw/zinc/13/52/34/1351135234.db2.gz DESBLLQNHOMKNU-RISCZKNCSA-N -1 1 337.387 2.253 20 0 EEADMM COc1cccc2c1CN(C(=O)c1csc(-c3nn[n-]n3)c1)C2 ZINC001605325661 1351137966 /nfs/dbraw/zinc/13/79/66/1351137966.db2.gz VROVWUWNNWMEQC-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1ccccc1[C@@H]1CCCN1c1cc(-c2nnn[n-]2)nc(C)n1 ZINC001605331177 1351138268 /nfs/dbraw/zinc/13/82/68/1351138268.db2.gz GGZRMTQPIOGCTH-AWEZNQCLSA-N -1 1 337.387 2.315 20 0 EEADMM COc1ccccc1[C@@H]1CCCN1c1cc(-c2nn[n-]n2)nc(C)n1 ZINC001605331177 1351138270 /nfs/dbraw/zinc/13/82/70/1351138270.db2.gz GGZRMTQPIOGCTH-AWEZNQCLSA-N -1 1 337.387 2.315 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605336544 1351139777 /nfs/dbraw/zinc/13/97/77/1351139777.db2.gz UEZCACNNWOWMKU-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605336544 1351139779 /nfs/dbraw/zinc/13/97/79/1351139779.db2.gz UEZCACNNWOWMKU-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM CCN(CC)[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1C)c1ccccc1 ZINC001605426328 1351156216 /nfs/dbraw/zinc/15/62/16/1351156216.db2.gz WXOCMGPXNXDTOD-KRWDZBQOSA-N -1 1 344.415 2.298 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC001605510925 1351174600 /nfs/dbraw/zinc/17/46/00/1351174600.db2.gz OPYFIDONTXPQKL-GDBMZVCRSA-N -1 1 337.383 2.257 20 0 EEADMM CCOC(=O)/C=C/CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001605531511 1351182029 /nfs/dbraw/zinc/18/20/29/1351182029.db2.gz NTUZTVALFIVPLJ-NNTXTVRGSA-N -1 1 327.764 2.183 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCCNc2ccccc2F)n1 ZINC001605577941 1351193468 /nfs/dbraw/zinc/19/34/68/1351193468.db2.gz BDKXDKUBURYJSC-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCCNc2ccccc2F)n1 ZINC001605577941 1351193470 /nfs/dbraw/zinc/19/34/70/1351193470.db2.gz BDKXDKUBURYJSC-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H](C)C(C)(C)C ZINC001605682015 1351215552 /nfs/dbraw/zinc/21/55/52/1351215552.db2.gz LECWPNGMCHMWRS-SECBINFHSA-N -1 1 341.412 2.027 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001605681391 1351215562 /nfs/dbraw/zinc/21/55/62/1351215562.db2.gz NVICNYMGBHWBFE-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001605681391 1351215567 /nfs/dbraw/zinc/21/55/67/1351215567.db2.gz NVICNYMGBHWBFE-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1ccc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605864623 1351240540 /nfs/dbraw/zinc/24/05/40/1351240540.db2.gz KGLFSEIBXVRQDK-VHSXEESVSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605864623 1351240543 /nfs/dbraw/zinc/24/05/43/1351240543.db2.gz KGLFSEIBXVRQDK-VHSXEESVSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1cncc(-c2nnn[n-]2)n1)CC3 ZINC001605887874 1351246767 /nfs/dbraw/zinc/24/67/67/1351246767.db2.gz VQDNEUHPWNZDCS-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)CN(c1cncc(-c2nn[n-]n2)n1)CC3 ZINC001605887874 1351246769 /nfs/dbraw/zinc/24/67/69/1351246769.db2.gz VQDNEUHPWNZDCS-UHFFFAOYSA-N -1 1 332.371 2.009 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001606109905 1351272051 /nfs/dbraw/zinc/27/20/51/1351272051.db2.gz CBULQYADJNTHSI-QMMMGPOBSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001606109905 1351272054 /nfs/dbraw/zinc/27/20/54/1351272054.db2.gz CBULQYADJNTHSI-QMMMGPOBSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1nn(C)c(C)c1[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606107027 1351272365 /nfs/dbraw/zinc/27/23/65/1351272365.db2.gz IPBBVFFFKRCRGE-QMMMGPOBSA-N -1 1 346.416 2.125 20 0 EEADMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001606128147 1351275620 /nfs/dbraw/zinc/27/56/20/1351275620.db2.gz RSVNTKQOUCAFLE-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001606128147 1351275625 /nfs/dbraw/zinc/27/56/25/1351275625.db2.gz RSVNTKQOUCAFLE-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001606168465 1351281179 /nfs/dbraw/zinc/28/11/79/1351281179.db2.gz OMCPQFNJTBTCLZ-DLBZAZTESA-N -1 1 330.428 2.220 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccsc1 ZINC001606617514 1351332449 /nfs/dbraw/zinc/33/24/49/1351332449.db2.gz REUKOMVVZZCUBU-UHFFFAOYSA-N -1 1 337.364 2.126 20 0 EEADMM O=C(NCCCc1cccc(F)c1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606776271 1351355190 /nfs/dbraw/zinc/35/51/90/1351355190.db2.gz AMVRNBNBNITHNV-UHFFFAOYSA-N -1 1 341.350 2.155 20 0 EEADMM O=C(NCCCc1cccc(F)c1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606776271 1351355195 /nfs/dbraw/zinc/35/51/95/1351355195.db2.gz AMVRNBNBNITHNV-UHFFFAOYSA-N -1 1 341.350 2.155 20 0 EEADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1csc(-c2nn[n-]n2)c1 ZINC001606938294 1351380530 /nfs/dbraw/zinc/38/05/30/1351380530.db2.gz OAUSPMMQEIWXAL-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001606945505 1351381761 /nfs/dbraw/zinc/38/17/61/1351381761.db2.gz GQGWGDHGXTVGOD-STQMWFEESA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc([C@H]2CCOC2)c1 ZINC001606953754 1351383625 /nfs/dbraw/zinc/38/36/25/1351383625.db2.gz ZZMTYOKDZBODSD-NSHDSACASA-N -1 1 342.384 2.079 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc([C@H]2CCOC2)c1 ZINC001606953754 1351383626 /nfs/dbraw/zinc/38/36/26/1351383626.db2.gz ZZMTYOKDZBODSD-NSHDSACASA-N -1 1 342.384 2.079 20 0 EEADMM O=C(Oc1ccccc1Br)c1cccc(-c2nnn[n-]2)n1 ZINC001606990528 1351394110 /nfs/dbraw/zinc/39/41/10/1351394110.db2.gz HMQGRAJRKLAOLI-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(Oc1ccccc1Br)c1cccc(-c2nn[n-]n2)n1 ZINC001606990528 1351394113 /nfs/dbraw/zinc/39/41/13/1351394113.db2.gz HMQGRAJRKLAOLI-UHFFFAOYSA-N -1 1 346.144 2.243 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC2(CCC2)[C@H]1C1CC1 ZINC001607022332 1351399794 /nfs/dbraw/zinc/39/97/94/1351399794.db2.gz MKYKRPJRDUCZRV-CQSZACIVSA-N -1 1 327.363 2.411 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC2(CCC2)[C@H]1C1CC1 ZINC001607022332 1351399795 /nfs/dbraw/zinc/39/97/95/1351399795.db2.gz MKYKRPJRDUCZRV-CQSZACIVSA-N -1 1 327.363 2.411 20 0 EEADMM COc1cc(Br)c(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1O ZINC001607055698 1351404489 /nfs/dbraw/zinc/40/44/89/1351404489.db2.gz BBQPBQSZVFPHDN-PSASIEDQSA-N -1 1 344.205 2.316 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC[C@@H]1CC1(Cl)Cl)CCC2 ZINC001607089476 1351412939 /nfs/dbraw/zinc/41/29/39/1351412939.db2.gz WAYFWGBHFHXDGW-SECBINFHSA-N -1 1 340.214 2.101 20 0 EEADMM c1csc([C@H](Nc2cncc(-c3nnn[n-]3)n2)c2ccccc2)n1 ZINC001607127002 1351430619 /nfs/dbraw/zinc/43/06/19/1351430619.db2.gz SLIPPYYNFZPQHM-CYBMUJFWSA-N -1 1 336.384 2.315 20 0 EEADMM c1csc([C@H](Nc2cncc(-c3nn[n-]n3)n2)c2ccccc2)n1 ZINC001607127002 1351430620 /nfs/dbraw/zinc/43/06/20/1351430620.db2.gz SLIPPYYNFZPQHM-CYBMUJFWSA-N -1 1 336.384 2.315 20 0 EEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2coc(CN)c2)cc1 ZINC001607405048 1351489052 /nfs/dbraw/zinc/48/90/52/1351489052.db2.gz GVSAZNUMYOFHHW-AWEZNQCLSA-N -1 1 334.397 2.406 20 0 EEADMM Cc1[nH]c2ccc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)cc2c1C ZINC001607499028 1351505844 /nfs/dbraw/zinc/50/58/44/1351505844.db2.gz CBROYRAMUOGHLA-GFCCVEGCSA-N -1 1 343.427 2.406 20 0 EEADMM Cc1cc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)oc1C(=O)[O-] ZINC001607575803 1351518537 /nfs/dbraw/zinc/51/85/37/1351518537.db2.gz LTDACEDZFQYRJF-LBPRGKRZSA-N -1 1 340.339 2.118 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)n[nH]1 ZINC001607637607 1351530507 /nfs/dbraw/zinc/53/05/07/1351530507.db2.gz JXOLHBKNQHWHAO-SSDOTTSWSA-N -1 1 337.767 2.217 20 0 EEADMM Cc1ccc([C@@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001607750558 1351551626 /nfs/dbraw/zinc/55/16/26/1351551626.db2.gz LWFYOEZPTSDALX-HOTGVXAUSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN(C[C@@H](C)C(=O)[O-])C3CC3)C2)cc1 ZINC001607767425 1351554529 /nfs/dbraw/zinc/55/45/29/1351554529.db2.gz ZXIHAPMAUQWSFE-GDBMZVCRSA-N -1 1 330.428 2.454 20 0 EEADMM Cc1ccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001607801762 1351562020 /nfs/dbraw/zinc/56/20/20/1351562020.db2.gz QRSDZZZJTYCXAK-GOSISDBHSA-N -1 1 327.384 2.308 20 0 EEADMM Cc1ccc2c(cnn2CN2CCS[C@H]3COCC[C@H]32)c1C(=O)[O-] ZINC001607834225 1351567934 /nfs/dbraw/zinc/56/79/34/1351567934.db2.gz UAQKNDDZPVDUBA-CABCVRRESA-N -1 1 347.440 2.207 20 0 EEADMM CCC(CC)(NC(=O)Cc1c[nH]c2cccc(OC)c12)c1nn[n-]n1 ZINC001623441144 1352397056 /nfs/dbraw/zinc/39/70/56/1352397056.db2.gz LNAIJBOQQFXEDD-UHFFFAOYSA-N -1 1 342.403 2.064 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1c(C(F)(F)F)nc2ccccn21 ZINC001625355464 1352447035 /nfs/dbraw/zinc/44/70/35/1352447035.db2.gz YWWRHRJCQQCYGT-UHFFFAOYSA-N -1 1 325.250 2.343 20 0 EEADMM Cc1c(NC(=O)c2ccc(F)c([O-])c2)cccc1N1CN=NC1=O ZINC001625713207 1352455576 /nfs/dbraw/zinc/45/55/76/1352455576.db2.gz UUKFXHUVIWACOV-UHFFFAOYSA-N -1 1 328.303 2.378 20 0 EEADMM CSc1nc(CNC(=O)c2ccc3cc(C)cn3c2)cc(=O)[n-]1 ZINC001627727773 1352507786 /nfs/dbraw/zinc/50/77/86/1352507786.db2.gz KOWXVWLBYQENEF-UHFFFAOYSA-N -1 1 328.397 2.395 20 0 EEADMM O=C([N-]c1nnc(C2CC2)s1)c1ncc(Br)cn1 ZINC001646338565 1352831224 /nfs/dbraw/zinc/83/12/24/1352831224.db2.gz JPBMJNPBOQNFML-UHFFFAOYSA-N -1 1 326.179 2.220 20 0 EEADMM CCc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)nn1C ZINC001647134624 1353157319 /nfs/dbraw/zinc/15/73/19/1353157319.db2.gz WXRXFSKIBQIMQP-UHFFFAOYSA-N -1 1 341.411 2.423 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nc2ccc3scnc3c2s1 ZINC001648242902 1353421334 /nfs/dbraw/zinc/42/13/34/1353421334.db2.gz OJIKTOMXHTWUBW-UHFFFAOYSA-N -1 1 345.413 2.381 20 0 EEADMM O=S(=O)([N-]c1cc(Br)ccc1O)C1CCOCC1 ZINC000094573799 1357701515 /nfs/dbraw/zinc/70/15/15/1357701515.db2.gz MMVIHUNHNZVKDJ-UHFFFAOYSA-N -1 1 336.207 2.075 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CC(C1CC1)C1CC1 ZINC001649700449 1353562922 /nfs/dbraw/zinc/56/29/22/1353562922.db2.gz AHXARXRCXFNXIK-UHFFFAOYSA-N -1 1 328.416 2.494 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)Cc1c(C)noc1C ZINC001649717318 1353570661 /nfs/dbraw/zinc/57/06/61/1353570661.db2.gz LFRPJNGRJIXFEA-SSDOTTSWSA-N -1 1 336.417 2.178 20 0 EEADMM CC(C)CN(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001650496945 1353954674 /nfs/dbraw/zinc/95/46/74/1353954674.db2.gz QSYOCVOPMPZATM-LBPRGKRZSA-N -1 1 334.424 2.035 20 0 EEADMM CCn1c(CNC(=O)c2ccc(-c3nc(C)no3)cc2)n[n-]c1=S ZINC000066636671 1354078498 /nfs/dbraw/zinc/07/84/98/1354078498.db2.gz 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COC(=O)c1ccc(NCc2sccc2C)c(-c2nn[n-]n2)n1 ZINC001579484790 1403783826 /nfs/dbraw/zinc/78/38/26/1403783826.db2.gz KOCRXYPZQHJUHP-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM COc1ncc(NC(=O)c2ccc(C3CC3)cc2)cc1-c1nn[n-]n1 ZINC001580138683 1403833408 /nfs/dbraw/zinc/83/34/08/1403833408.db2.gz NXUWOXBBUAVPBY-UHFFFAOYSA-N -1 1 336.355 2.400 20 0 EEADMM Cc1ccc(F)c(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c1F ZINC001581205129 1403876773 /nfs/dbraw/zinc/87/67/73/1403876773.db2.gz WCLCHUXCVNZSPO-UHFFFAOYSA-N -1 1 343.337 2.152 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(F)c1 ZINC001592129471 1403999579 /nfs/dbraw/zinc/99/95/79/1403999579.db2.gz FPVNQXHRZXFWAO-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C)nc2C2CC2)c1-c1nnn[n-]1 ZINC001592132680 1404000770 /nfs/dbraw/zinc/00/07/70/1404000770.db2.gz MJEBLJLUPZPZEM-UHFFFAOYSA-N -1 1 341.400 2.465 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(C)nc2C2CC2)c1-c1nn[n-]n1 ZINC001592132680 1404000782 /nfs/dbraw/zinc/00/07/82/1404000782.db2.gz MJEBLJLUPZPZEM-UHFFFAOYSA-N -1 1 341.400 2.465 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3ccccc3n2)c1-c1nnn[n-]1 ZINC001592482182 1404700909 /nfs/dbraw/zinc/70/09/09/1404700909.db2.gz WXPLCZXXWYSFQO-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nsc(NC(=O)c2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC001592482182 1404700913 /nfs/dbraw/zinc/70/09/13/1404700913.db2.gz WXPLCZXXWYSFQO-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H](C3CC3)C2)c1-c1nnn[n-]1 ZINC001592480761 1404701487 /nfs/dbraw/zinc/70/14/87/1404701487.db2.gz UHHZQTSOZPPNKC-JTQLQIEISA-N -1 1 333.421 2.286 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H](C3CC3)C2)c1-c1nn[n-]n1 ZINC001592480761 1404701492 /nfs/dbraw/zinc/70/14/92/1404701492.db2.gz UHHZQTSOZPPNKC-JTQLQIEISA-N -1 1 333.421 2.286 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCn2c(cc3ccccc32)C1 ZINC001592499660 1404703226 /nfs/dbraw/zinc/70/32/26/1404703226.db2.gz PQNVIBKNAPDONS-UHFFFAOYSA-N -1 1 348.366 2.379 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCn2c(cc3ccccc32)C1 ZINC001592499660 1404703235 /nfs/dbraw/zinc/70/32/35/1404703235.db2.gz PQNVIBKNAPDONS-UHFFFAOYSA-N -1 1 348.366 2.379 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC001606014180 1404754814 /nfs/dbraw/zinc/75/48/14/1404754814.db2.gz CHSUBFIUFRAOAK-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CN(C)[C@H]1CCOc2c(NC(=O)c3c[nH]c(C(=O)[O-])c3)cccc21 ZINC001606016594 1404754872 /nfs/dbraw/zinc/75/48/72/1404754872.db2.gz QKRKDLJZPYGNMN-AWEZNQCLSA-N -1 1 329.356 2.350 20 0 EEADMM Fc1cccc(CC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)c1 ZINC001606327464 1404793760 /nfs/dbraw/zinc/79/37/60/1404793760.db2.gz QYXROOCYKWPHGU-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(CC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)c1 ZINC001606327464 1404793766 /nfs/dbraw/zinc/79/37/66/1404793766.db2.gz QYXROOCYKWPHGU-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc([C@@H]2COCCN2Cc2nc(-c3nnn[n-]3)cs2)c1 ZINC001606327296 1404794154 /nfs/dbraw/zinc/79/41/54/1404794154.db2.gz HTEDIAAGKUOVIO-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM Fc1cccc([C@@H]2COCCN2Cc2nc(-c3nn[n-]n3)cs2)c1 ZINC001606327296 1404794159 /nfs/dbraw/zinc/79/41/59/1404794159.db2.gz HTEDIAAGKUOVIO-ZDUSSCGKSA-N -1 1 346.391 2.036 20 0 EEADMM CC(C)[C@H](C(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1)N(C)C ZINC001646253830 1404885504 /nfs/dbraw/zinc/88/55/04/1404885504.db2.gz FKJSFARYYWXZNM-OAHLLOKOSA-N -1 1 330.388 2.095 20 0 EEADMM CC(C)N(CCN(C)C(=O)[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001756693540 1409210551 /nfs/dbraw/zinc/21/05/51/1409210551.db2.gz FGOBWBOMFFDCBR-HNNXBMFYSA-N -1 1 345.443 2.453 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)/C=C/c1ccco1 ZINC001756811906 1409359910 /nfs/dbraw/zinc/35/99/10/1409359910.db2.gz JNTBRCGFEOIIPY-NAISLTENSA-N -1 1 343.383 2.107 20 0 EEADMM CN(C)c1ccnc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001772204898 1410095986 /nfs/dbraw/zinc/09/59/86/1410095986.db2.gz DHGZDSQMJCBEOY-AWEZNQCLSA-N -1 1 334.420 2.077 20 0 EEADMM CCc1nc(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(N(C)C)n3)C2)cs1 ZINC000864328539 1410460259 /nfs/dbraw/zinc/46/02/59/1410460259.db2.gz IEHQENMJCWVDAB-NSHDSACASA-N -1 1 333.461 2.257 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCc1cncs1 ZINC000840223469 782432884 /nfs/dbraw/zinc/43/28/84/782432884.db2.gz JHTBMIUTXUPWHJ-UHFFFAOYSA-N -1 1 340.426 2.304 20 0 EEADMM Cc1cc2c(c(N(CC(=O)c3ccccc3)C(C)C)n1)C(=O)[N-]C2=O ZINC001167136053 757373539 /nfs/dbraw/zinc/37/35/39/757373539.db2.gz SOUAYKVHTYRIEJ-UHFFFAOYSA-N -1 1 337.379 2.371 20 0 EEADMM CC(C)Cc1nsc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104535813 761707153 /nfs/dbraw/zinc/70/71/53/761707153.db2.gz AEBJLWPHKZHFCS-LLVKDONJSA-N -1 1 349.460 2.410 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1ccc(Cl)nc1)c1ncccc1[O-] ZINC001027843540 773407589 /nfs/dbraw/zinc/40/75/89/773407589.db2.gz BZMIOALLFDIKEB-CYBMUJFWSA-N -1 1 346.818 2.230 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000942756858 783142502 /nfs/dbraw/zinc/14/25/02/783142502.db2.gz RWWDLOQOAPTMMR-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC000942758021 783145732 /nfs/dbraw/zinc/14/57/32/783145732.db2.gz LCQJXNXBOKXHHL-CQSZACIVSA-N -1 1 343.383 2.065 20 0 EEADMM Cc1cc(C)cc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000938748972 774570597 /nfs/dbraw/zinc/57/05/97/774570597.db2.gz CZFUAPSZZAEGGQ-HNNXBMFYSA-N -1 1 339.395 2.049 20 0 EEADMM O=C(N[C@@H]1CCCCN(c2ncncc2Cl)C1)c1ncccc1[O-] ZINC001063185521 790340773 /nfs/dbraw/zinc/34/07/73/790340773.db2.gz LYOGTCXRGHMZDB-LLVKDONJSA-N -1 1 347.806 2.020 20 0 EEADMM O=C(CNC(=O)CC1CCCCC1)Nc1nc(Cl)ccc1[O-] ZINC000188352530 775833603 /nfs/dbraw/zinc/83/36/03/775833603.db2.gz OTLQBIZYXCOKQJ-UHFFFAOYSA-N -1 1 325.796 2.466 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(c2cccc(F)n2)C1 ZINC001060357726 790411111 /nfs/dbraw/zinc/41/11/11/790411111.db2.gz JRZXELICFOHPRD-OLZOCXBDSA-N -1 1 344.390 2.356 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCN(Cc3ccc(CF)cc3)CC2)c1[O-] ZINC000980981610 776252900 /nfs/dbraw/zinc/25/29/00/776252900.db2.gz AKOPHHRUQMDQOD-UHFFFAOYSA-N -1 1 346.406 2.241 20 0 EEADMM CCC1(C(=O)N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)CCCC1 ZINC000939428067 776513798 /nfs/dbraw/zinc/51/37/98/776513798.db2.gz KDKZWXSKFVBERO-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000939972267 777754797 /nfs/dbraw/zinc/75/47/97/777754797.db2.gz YCAGEIYSYRLTJP-MGPQQGTHSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000940090941 778069746 /nfs/dbraw/zinc/06/97/46/778069746.db2.gz GFXIZFBDCLKJTD-UHFFFAOYSA-N -1 1 331.416 2.042 20 0 EEADMM C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000318474597 778110082 /nfs/dbraw/zinc/11/00/82/778110082.db2.gz UQSPIHPLLJBBDJ-RXMQYKEDSA-N -1 1 347.261 2.282 20 0 EEADMM Cc1cc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)no1 ZINC000940701945 779145118 /nfs/dbraw/zinc/14/51/18/779145118.db2.gz ALSMOVJXYXRWII-OAHLLOKOSA-N -1 1 344.415 2.114 20 0 EEADMM CCC(=O)N1CCC2(C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982244731 779355085 /nfs/dbraw/zinc/35/50/85/779355085.db2.gz FNNUJPQJMMERPO-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)c1ccsc1 ZINC000945288479 783782563 /nfs/dbraw/zinc/78/25/63/783782563.db2.gz LDUYUVVDYQNCFD-YPMHNXCESA-N -1 1 345.424 2.129 20 0 EEADMM C[C@H](C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1)C(C)(C)C ZINC001035197413 784029555 /nfs/dbraw/zinc/02/95/55/784029555.db2.gz MOJUWQOTHILJCS-CYBMUJFWSA-N -1 1 349.479 2.007 20 0 EEADMM Cc1cc(C)c(C=CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1C ZINC000907477763 784646798 /nfs/dbraw/zinc/64/67/98/784646798.db2.gz RYHNSQRVWCRBNV-XVWMLYKFSA-N -1 1 343.456 2.455 20 0 EEADMM O=C([C@@H]1CCc2c1cccc2Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479993 784687817 /nfs/dbraw/zinc/68/78/17/784687817.db2.gz OCAJQENZMWNMKT-YPMHNXCESA-N -1 1 349.847 2.200 20 0 EEADMM CS/C=C\C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817489459 784792679 /nfs/dbraw/zinc/79/26/79/784792679.db2.gz BKTAJLOBBYAIMT-ZADCQDASSA-N -1 1 344.358 2.500 20 0 EEADMM C[C@@H]1C[C@H]1C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490660 784793286 /nfs/dbraw/zinc/79/32/86/784793286.db2.gz SKIMTPVSFHRRCD-YUSALJHKSA-N -1 1 326.318 2.279 20 0 EEADMM CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CCN1Cc1ccccc1 ZINC000907842612 784924681 /nfs/dbraw/zinc/92/46/81/784924681.db2.gz PSQSLJWJSIPBAO-GVDBMIGSSA-N -1 1 330.428 2.220 20 0 EEADMM Cc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2=O)cc1 ZINC000804135429 785218367 /nfs/dbraw/zinc/21/83/67/785218367.db2.gz JOXRYJWBBQFOKH-UHFFFAOYSA-N -1 1 328.343 2.329 20 0 EEADMM O=C(CCN1CCCC1=O)Nc1cccc([O-])c1Br ZINC000908716814 785668583 /nfs/dbraw/zinc/66/85/83/785668583.db2.gz OXHFVBCZUPURLY-UHFFFAOYSA-N -1 1 327.178 2.106 20 0 EEADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)NC[C@H](c1cccs1)N(C)C ZINC000908746019 785684438 /nfs/dbraw/zinc/68/44/38/785684438.db2.gz IIPBBEBIGIKIBZ-VXGBXAGGSA-N -1 1 327.450 2.246 20 0 EEADMM C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](c1ccco1)N1CCCC1)C1CCC1 ZINC000908747078 785686065 /nfs/dbraw/zinc/68/60/65/785686065.db2.gz HNWZBZHMOUNPKG-ZFWWWQNUSA-N -1 1 349.431 2.454 20 0 EEADMM CN(C)[C@H](CNC(=O)N(CC(=O)[O-])C1CCC1)c1ccc(F)cc1 ZINC000908819308 785754146 /nfs/dbraw/zinc/75/41/46/785754146.db2.gz KLQZHHOMBCNCSE-OAHLLOKOSA-N -1 1 337.395 2.077 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@H](CC2CC2)C(=O)[O-])N2CCCC2)o1 ZINC000908924928 785873085 /nfs/dbraw/zinc/87/30/85/785873085.db2.gz JTEHGNXECSZPGC-CABCVRRESA-N -1 1 349.431 2.277 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCCC[C@H]2CCCO2)c1 ZINC000820617660 785991682 /nfs/dbraw/zinc/99/16/82/785991682.db2.gz ZGLRSXRCZFYZPB-DMZKTXOQSA-N -1 1 326.414 2.305 20 0 EEADMM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CN1CCCC1 ZINC000909790978 786252190 /nfs/dbraw/zinc/25/21/90/786252190.db2.gz SYHITOKXWVXWRI-RDJZCZTQSA-N -1 1 330.428 2.162 20 0 EEADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)[C@@H]2CCCCN2C2CCCC2)n1 ZINC000909966764 786366967 /nfs/dbraw/zinc/36/69/67/786366967.db2.gz WFEWDRNWPWJQGK-AWEZNQCLSA-N -1 1 348.447 2.438 20 0 EEADMM Cc1c(NC(=O)[C@@H](C)N(C)C)cc(Br)cc1C(=O)[O-] ZINC000910080079 786420275 /nfs/dbraw/zinc/42/02/75/786420275.db2.gz GCXWJCIKLZHTGV-MRVPVSSYSA-N -1 1 329.194 2.344 20 0 EEADMM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000910117636 786475969 /nfs/dbraw/zinc/47/59/69/786475969.db2.gz LKBNOJYLRRVANK-PBHICJAKSA-N -1 1 334.420 2.036 20 0 EEADMM O=S(=O)([N-]CCOC1CCC1)c1sccc1Br ZINC000709251938 786947013 /nfs/dbraw/zinc/94/70/13/786947013.db2.gz QTHZVSRHKYIJAS-UHFFFAOYSA-N -1 1 340.264 2.358 20 0 EEADMM CC[C@H](C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)N(CC)CC ZINC000910678457 786973450 /nfs/dbraw/zinc/97/34/50/786973450.db2.gz XMNJPGUSAXVKOL-ZYHUDNBSSA-N -1 1 339.461 2.392 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC001136582145 787151893 /nfs/dbraw/zinc/15/18/93/787151893.db2.gz WLBSFJYUVANOHH-UHFFFAOYSA-N -1 1 343.318 2.076 20 0 EEADMM CCNc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000911084582 787219504 /nfs/dbraw/zinc/21/95/04/787219504.db2.gz FOTFGPDKMQPLRR-LBPRGKRZSA-N -1 1 337.445 2.192 20 0 EEADMM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000911167042 787284652 /nfs/dbraw/zinc/28/46/52/787284652.db2.gz JCGIUGGUVJCFPB-UHFFFAOYSA-N -1 1 345.443 2.426 20 0 EEADMM CCN1CCC[C@@H]1CN(CCC(=O)[O-])C(=O)c1scnc1Cl ZINC000911280017 787351238 /nfs/dbraw/zinc/35/12/38/787351238.db2.gz NZZBVKHLCCWIGP-SNVBAGLBSA-N -1 1 345.852 2.198 20 0 EEADMM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000911303256 787366252 /nfs/dbraw/zinc/36/62/52/787366252.db2.gz HKSUSLPCVBSYHT-OLMNPRSZSA-N -1 1 344.455 2.440 20 0 EEADMM Cc1ccc([C@H](CNC(=O)C23CC(C(=O)[O-])(C2)C3)N2CCCC2)o1 ZINC000911332938 787383174 /nfs/dbraw/zinc/38/31/74/787383174.db2.gz QPDRRCPWIBFTDI-TZYSRNFLSA-N -1 1 332.400 2.096 20 0 EEADMM O=C(c1cc2cccc(Cl)c2s1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001136655788 787510729 /nfs/dbraw/zinc/51/07/29/787510729.db2.gz HULTYTVIJJQGBB-SNVBAGLBSA-N -1 1 349.803 2.282 20 0 EEADMM Cc1ccc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)s1 ZINC001062415811 788032703 /nfs/dbraw/zinc/03/27/03/788032703.db2.gz XMQMQELCRVZDCL-UHFFFAOYSA-N -1 1 345.424 2.240 20 0 EEADMM CSCC[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1nn[n-]n1 ZINC000912860814 788420939 /nfs/dbraw/zinc/42/09/39/788420939.db2.gz ZJHINJRJOXBVRY-NSHDSACASA-N -1 1 334.380 2.044 20 0 EEADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000825376410 788598226 /nfs/dbraw/zinc/59/82/26/788598226.db2.gz GMZVRLRSPSVYID-UHFFFAOYSA-N -1 1 346.778 2.412 20 0 EEADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000825376410 788598229 /nfs/dbraw/zinc/59/82/29/788598229.db2.gz GMZVRLRSPSVYID-UHFFFAOYSA-N -1 1 346.778 2.412 20 0 EEADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cc(C)cc(C)c1 ZINC000825376360 788598459 /nfs/dbraw/zinc/59/84/59/788598459.db2.gz FSHINYNYINPDIR-UHFFFAOYSA-N -1 1 340.387 2.376 20 0 EEADMM 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2.009 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C2CCC(O)(C(F)(F)F)CC2)n1 ZINC001181731278 800884350 /nfs/dbraw/zinc/88/43/50/800884350.db2.gz YLNIFJDJXKLCLP-UHFFFAOYSA-N -1 1 349.309 2.009 20 0 EEADMM CC(C)Cc1ccc(CC(=O)Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001181821105 800922737 /nfs/dbraw/zinc/92/27/37/800922737.db2.gz XVKILUWJSIUJKK-UHFFFAOYSA-N -1 1 325.372 2.438 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(-c3ncn(C)n3)cc2)[n-]1 ZINC000786903848 806934984 /nfs/dbraw/zinc/93/49/84/806934984.db2.gz BQWMZMCUCUKVJH-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(-c3ncn(C)n3)cc2)c[n-]1 ZINC000786903848 806934989 /nfs/dbraw/zinc/93/49/89/806934989.db2.gz BQWMZMCUCUKVJH-UHFFFAOYSA-N -1 1 347.400 2.096 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)ncn1 ZINC001066430621 802382042 /nfs/dbraw/zinc/38/20/42/802382042.db2.gz XQNNBNJNMJMJDD-HDJSIYSDSA-N -1 1 341.415 2.286 20 0 EEADMM O=C(NC1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1)c1ncccc1[O-] ZINC000946713007 802870067 /nfs/dbraw/zinc/87/00/67/802870067.db2.gz ZQEBZOBHAJUAAA-STQMWFEESA-N -1 1 349.406 2.036 20 0 EEADMM CN(CCCNc1cnc2ccccc2n1)C(=O)c1ncccc1[O-] ZINC001109436894 805462770 /nfs/dbraw/zinc/46/27/70/805462770.db2.gz OALNUISDXUKZQI-UHFFFAOYSA-N -1 1 337.383 2.305 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@H]1CCCc2c(O)cccc21 ZINC000789901421 808273013 /nfs/dbraw/zinc/27/30/13/808273013.db2.gz MDGWDMSGDYXVQS-DOTOQJQBSA-N -1 1 349.394 2.231 20 0 EEADMM Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1nc(C)ccc1[O-] ZINC000790073283 808366349 /nfs/dbraw/zinc/36/63/49/808366349.db2.gz QIWJCTSOLNJXQV-GXDHUFHOSA-N -1 1 336.355 2.027 20 0 EEADMM O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc(Cl)ccc1[O-] ZINC000790056426 808382958 /nfs/dbraw/zinc/38/29/58/808382958.db2.gz KZJUKEJGOHBRQE-UHFFFAOYSA-N -1 1 347.680 2.260 20 0 EEADMM CCc1nsc(NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001113416203 808946797 /nfs/dbraw/zinc/94/67/97/808946797.db2.gz GZWGNLRDOXPXNN-UHFFFAOYSA-N -1 1 349.460 2.411 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C=Cc2ccco2)n[n-]1 ZINC000791286364 809174108 /nfs/dbraw/zinc/17/41/08/809174108.db2.gz YQCILRIDRMALMT-WSROAFLRSA-N -1 1 346.387 2.491 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C=Cc2ccco2)[n-]1 ZINC000791286364 809174111 /nfs/dbraw/zinc/17/41/11/809174111.db2.gz YQCILRIDRMALMT-WSROAFLRSA-N -1 1 346.387 2.491 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C=Cc2ccco2)n1 ZINC000791286364 809174113 /nfs/dbraw/zinc/17/41/13/809174113.db2.gz YQCILRIDRMALMT-WSROAFLRSA-N -1 1 346.387 2.491 20 0 EEADMM Cc1cc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001113574665 809273062 /nfs/dbraw/zinc/27/30/62/809273062.db2.gz CHADICUBUASZFB-ZDUSSCGKSA-N -1 1 343.431 2.264 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3c(F)cc4ncccc4c3F)c2[nH]1 ZINC001170220457 809821887 /nfs/dbraw/zinc/82/18/87/809821887.db2.gz ZAHPUJFVAVEGOU-UHFFFAOYSA-N -1 1 330.254 2.286 20 0 EEADMM Cc1nc([C@H](C)NCCCC[C@H](C)NC(=O)c2ncccc2[O-])no1 ZINC001170355991 809903845 /nfs/dbraw/zinc/90/38/45/809903845.db2.gz DOFRMOSFWYMYKY-RYUDHWBXSA-N -1 1 347.419 2.118 20 0 EEADMM CC(C)n1cnnc1CN(C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000793811193 810544450 /nfs/dbraw/zinc/54/44/50/810544450.db2.gz QTGNERGAQKGKCF-UHFFFAOYSA-N -1 1 344.448 2.265 20 0 EEADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](C)S1(=O)=O ZINC000805400454 811251294 /nfs/dbraw/zinc/25/12/94/811251294.db2.gz UYIKUTJMBWVFQJ-VHSXEESVSA-N -1 1 331.821 2.083 20 0 EEADMM Cc1ccc(CN(C(=O)N=c2ccnc3n(C)[n-]cc2-3)C2CC2)o1 ZINC000806490436 811879501 /nfs/dbraw/zinc/87/95/01/811879501.db2.gz UDLIJEQDQVVTAB-UHFFFAOYSA-N -1 1 325.372 2.440 20 0 EEADMM CC(F)(F)C(=O)[N-]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000808470682 812671853 /nfs/dbraw/zinc/67/18/53/812671853.db2.gz FGXWIVSWIJEQII-UHFFFAOYSA-N -1 1 345.289 2.380 20 0 EEADMM Cc1cnc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])nc1 ZINC000808543647 812712134 /nfs/dbraw/zinc/71/21/34/812712134.db2.gz LHXVZJKKIYXYJK-UHFFFAOYSA-N -1 1 328.303 2.172 20 0 EEADMM O=C([O-])C1(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)CC1 ZINC001601702529 971042534 /nfs/dbraw/zinc/04/25/34/971042534.db2.gz QQHFZUSJOREZQB-UHFFFAOYSA-N -1 1 329.356 2.227 20 0 EEADMM COc1ccc(C(=O)[O-])c(NC(=O)N2CCN(CC(C)C)CC2)c1 ZINC000325448952 971217250 /nfs/dbraw/zinc/21/72/50/971217250.db2.gz WXYHTEBKTFDEPD-UHFFFAOYSA-N -1 1 335.404 2.199 20 0 EEADMM CC(C)CN1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000326642939 971313135 /nfs/dbraw/zinc/31/31/35/971313135.db2.gz YCEGJJLYZDWKPC-UHFFFAOYSA-N -1 1 341.358 2.469 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC000826346859 948044960 /nfs/dbraw/zinc/04/49/60/948044960.db2.gz XNWVCLILRJBMNV-NWDGAFQWSA-N -1 1 346.435 2.427 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC000826346859 948044970 /nfs/dbraw/zinc/04/49/70/948044970.db2.gz XNWVCLILRJBMNV-NWDGAFQWSA-N -1 1 346.435 2.427 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001570926339 948687113 /nfs/dbraw/zinc/68/71/13/948687113.db2.gz UTLFVKWJMDWTOF-QMMMGPOBSA-N -1 1 329.314 2.059 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001570926339 948687115 /nfs/dbraw/zinc/68/71/15/948687115.db2.gz UTLFVKWJMDWTOF-QMMMGPOBSA-N -1 1 329.314 2.059 20 0 EEADMM COC(=O)c1cccc2c1CCCN2Cc1ccc(-c2nnn[n-]2)o1 ZINC001570934041 948920666 /nfs/dbraw/zinc/92/06/66/948920666.db2.gz AQWCRDPCTJEHSN-UHFFFAOYSA-N -1 1 339.355 2.199 20 0 EEADMM COC(=O)c1cccc2c1CCCN2Cc1ccc(-c2nn[n-]n2)o1 ZINC001570934041 948920683 /nfs/dbraw/zinc/92/06/83/948920683.db2.gz AQWCRDPCTJEHSN-UHFFFAOYSA-N -1 1 339.355 2.199 20 0 EEADMM CCOc1ccc(CCNc2cc(-c3nnn[n-]3)nc(CC)n2)cc1 ZINC001570936910 949062047 /nfs/dbraw/zinc/06/20/47/949062047.db2.gz SDVNOFYVWCRVPQ-UHFFFAOYSA-N -1 1 339.403 2.272 20 0 EEADMM CCOc1ccc(CCNc2cc(-c3nn[n-]n3)nc(CC)n2)cc1 ZINC001570936910 949062069 /nfs/dbraw/zinc/06/20/69/949062069.db2.gz SDVNOFYVWCRVPQ-UHFFFAOYSA-N -1 1 339.403 2.272 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001570939477 949139621 /nfs/dbraw/zinc/13/96/21/949139621.db2.gz DMVMADMXZSTDEQ-NXEZZACHSA-N -1 1 341.350 2.176 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC001570941148 949209685 /nfs/dbraw/zinc/20/96/85/949209685.db2.gz BBWSDVSBIGAPFT-LLVKDONJSA-N -1 1 340.412 2.059 20 0 EEADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC001570941148 949209707 /nfs/dbraw/zinc/20/97/07/949209707.db2.gz BBWSDVSBIGAPFT-LLVKDONJSA-N -1 1 340.412 2.059 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 ZINC001595227847 949333426 /nfs/dbraw/zinc/33/34/26/949333426.db2.gz IYJIVVSPYYNNNK-UHFFFAOYSA-N -1 1 336.351 2.024 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575188523 952448797 /nfs/dbraw/zinc/44/87/97/952448797.db2.gz JCHUHFMALSZATI-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575188523 952448801 /nfs/dbraw/zinc/44/88/01/952448801.db2.gz JCHUHFMALSZATI-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM CCc1ccc([C@H]2CCCCCN2[C@@H]2CCN(CC(=O)[O-])C2=O)o1 ZINC001593637355 953617488 /nfs/dbraw/zinc/61/74/88/953617488.db2.gz TWIBKPUPRIERFJ-HUUCEWRRSA-N -1 1 334.416 2.445 20 0 EEADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1O ZINC001589303001 953705102 /nfs/dbraw/zinc/70/51/02/953705102.db2.gz NLCLWKNPEQSBAY-IUCAKERBSA-N -1 1 342.189 2.480 20 0 EEADMM CN(CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)[C@H]1CCSC1 ZINC001593717049 954231491 /nfs/dbraw/zinc/23/14/91/954231491.db2.gz SLGMZOCLCRHJQB-JSGCOSHPSA-N -1 1 334.441 2.029 20 0 EEADMM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccn(-c3ccccc3)n1)O2 ZINC001594905234 954668491 /nfs/dbraw/zinc/66/84/91/954668491.db2.gz MFAZKXOFVWSWKZ-KGYZHSKHSA-N -1 1 341.411 2.374 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000902014243 956604263 /nfs/dbraw/zinc/60/42/63/956604263.db2.gz VSWWRPWKJMTJOI-RNRVQEDPSA-N -1 1 341.411 2.234 20 0 EEADMM COCc1cccc(CNC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001594029345 957746750 /nfs/dbraw/zinc/74/67/50/957746750.db2.gz ZDJRTMLXYNXEFQ-HNNXBMFYSA-N -1 1 348.443 2.026 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000128273885 958652898 /nfs/dbraw/zinc/65/28/98/958652898.db2.gz GIBGECIATBLDJT-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)c2coc(C=CC(=O)[O-])c2)n[nH]1 ZINC001573454653 958885272 /nfs/dbraw/zinc/88/52/72/958885272.db2.gz FRWKVWGCVUCLMP-SNAWJCMRSA-N -1 1 347.327 2.308 20 0 EEADMM CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC000232768474 960295611 /nfs/dbraw/zinc/29/56/11/960295611.db2.gz WZQQHIZNDLIJCZ-NWDGAFQWSA-N -1 1 328.206 2.396 20 0 EEADMM COc1nsc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c1C(=O)[O-] ZINC001571173768 962075878 /nfs/dbraw/zinc/07/58/78/962075878.db2.gz ZROZAPRWLOXALG-MNOVXSKESA-N -1 1 326.418 2.239 20 0 EEADMM O=C([O-])[C@@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)C1CC1 ZINC001574621992 962259335 /nfs/dbraw/zinc/25/93/35/962259335.db2.gz WGKWLRDIUSJNQP-SNVBAGLBSA-N -1 1 338.161 2.375 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)NCc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC001571198452 962336387 /nfs/dbraw/zinc/33/63/87/962336387.db2.gz JMRJTGNFQRJXPN-JTQLQIEISA-N -1 1 331.376 2.238 20 0 EEADMM CON(C(=O)c1cc(-c2c[nH]c3ccccc32)[nH]n1)[C@H](C)C(=O)[O-] ZINC001574171097 962775094 /nfs/dbraw/zinc/77/50/94/962775094.db2.gz WLKWURSDBJNWPW-SECBINFHSA-N -1 1 328.328 2.035 20 0 EEADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2Br)[C@H]1CO ZINC000299988115 962958860 /nfs/dbraw/zinc/95/88/60/962958860.db2.gz XZCVWNIHTKYYTN-RNCFNFMXSA-N -1 1 328.206 2.350 20 0 EEADMM CC[C@@H](C)n1nc(C)c(-c2cc(C(=O)N(C)CC(=O)[O-])n[nH]2)c1C ZINC001603516063 973526705 /nfs/dbraw/zinc/52/67/05/973526705.db2.gz LDXTWQMLRKPICF-SECBINFHSA-N -1 1 333.392 2.018 20 0 EEADMM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccn1 ZINC001606465736 973931879 /nfs/dbraw/zinc/93/18/79/973931879.db2.gz BNUGCVPJOGPVJR-UHFFFAOYSA-N -1 1 342.742 2.498 20 0 EEADMM CC(C)Oc1ccccc1CN1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001591801668 976018740 /nfs/dbraw/zinc/01/87/40/976018740.db2.gz VAXNGYMTNJLAMO-AWEZNQCLSA-N -1 1 330.388 2.211 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)c1[nH]nc2c1CCCCC2)c1ccccn1 ZINC001592322516 977728117 /nfs/dbraw/zinc/72/81/17/977728117.db2.gz STRVLMHPBPMKIA-GOSISDBHSA-N -1 1 342.399 2.194 20 0 EEADMM C[C@](CC(=O)[O-])(NCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC001592322523 977728287 /nfs/dbraw/zinc/72/82/87/977728287.db2.gz NWPRZWUZIODMKW-QGZVFWFLSA-N -1 1 331.347 2.139 20 0 EEADMM C[C@@](CCF)(NCc1nc2ccccn2c1Br)C(=O)[O-] ZINC001592506632 978319969 /nfs/dbraw/zinc/31/99/69/978319969.db2.gz MXOVVSIUDYWCDS-ZDUSSCGKSA-N -1 1 344.184 2.389 20 0 EEADMM C[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000827796367 978964946 /nfs/dbraw/zinc/96/49/46/978964946.db2.gz RTXZXDSJFSPENZ-YGRLFVJLSA-N -1 1 347.242 2.118 20 0 EEADMM Cc1cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc1C(F)(F)F ZINC000901742300 980473430 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319780794 /nfs/dbraw/zinc/78/07/94/319780794.db2.gz GFIZUHMBHZTPRW-UHFFFAOYSA-N -1 1 336.273 2.384 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ccnc32)c(F)c1 ZINC000577216969 320242679 /nfs/dbraw/zinc/24/26/79/320242679.db2.gz ANUGKFFAQZDAGV-BXKDBHETSA-N -1 1 327.356 2.454 20 0 EEADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C(=O)N1Cc2ccccc2C1 ZINC000577682167 320269194 /nfs/dbraw/zinc/26/91/94/320269194.db2.gz RADDFOSOOYRZPY-JTQLQIEISA-N -1 1 346.333 2.331 20 0 EEADMM Cc1cc(C)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)c1 ZINC000181033723 323337248 /nfs/dbraw/zinc/33/72/48/323337248.db2.gz MTYJGIYIGFYDEY-UHFFFAOYSA-N -1 1 334.397 2.217 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Cl)c(F)c1 ZINC000181891395 323358971 /nfs/dbraw/zinc/35/89/71/323358971.db2.gz JSFCNRWDVPBWER-ZDUSSCGKSA-N -1 1 348.721 2.306 20 0 EEADMM O=C([O-])CCC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000580315438 324038686 /nfs/dbraw/zinc/03/86/86/324038686.db2.gz IFNRKCHGUQAJGI-UHFFFAOYSA-N -1 1 343.309 2.453 20 0 EEADMM Cc1cccc(NC(=O)N2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000580483047 324072528 /nfs/dbraw/zinc/07/25/28/324072528.db2.gz TZISAKYGKUOTHY-UHFFFAOYSA-N -1 1 326.400 2.445 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)o1 ZINC000582769782 324523191 /nfs/dbraw/zinc/52/31/91/324523191.db2.gz IQCIEWPAVXYKGM-CQSZACIVSA-N -1 1 340.445 2.229 20 0 EEADMM COc1cc(NC(=O)Nc2cccnc2)ccc1[N-]S(C)(=O)=O ZINC000339056588 465056707 /nfs/dbraw/zinc/05/67/07/465056707.db2.gz OAMJAYYILBJQGZ-UHFFFAOYSA-N -1 1 336.373 2.106 20 0 EEADMM COCCOCCS(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000339071475 465064335 /nfs/dbraw/zinc/06/43/35/465064335.db2.gz NPZTZJWZRJNORY-UHFFFAOYSA-N -1 1 343.445 2.320 20 0 EEADMM Cc1ccccc1O[C@H](C)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000358353848 465074241 /nfs/dbraw/zinc/07/42/41/465074241.db2.gz UBFNCWNRAFLCIG-GFCCVEGCSA-N -1 1 340.383 2.180 20 0 EEADMM C[C@@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)c1ccc(F)cc1F ZINC000358378667 465088980 /nfs/dbraw/zinc/08/89/80/465088980.db2.gz YWYWNMRBAZKCPL-VIFPVBQESA-N -1 1 346.337 2.486 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](CO)CCC(C)(C)C ZINC000358443513 465125999 /nfs/dbraw/zinc/12/59/99/465125999.db2.gz LFBOSMFHSDJHND-JTQLQIEISA-N -1 1 327.450 2.130 20 0 EEADMM CNS(=O)(=O)c1cccc(CNCc2cccc([O-])c2Cl)c1 ZINC000339200078 465137670 /nfs/dbraw/zinc/13/76/70/465137670.db2.gz NULBVKGQOFJJNC-UHFFFAOYSA-N -1 1 340.832 2.244 20 0 EEADMM CCc1ccccc1OCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339204599 465140799 /nfs/dbraw/zinc/14/07/99/465140799.db2.gz ONNWZWYMSDYJGN-CYBMUJFWSA-N -1 1 331.372 2.123 20 0 EEADMM CSc1ccc([C@@H](C)NC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000337112056 465197693 /nfs/dbraw/zinc/19/76/93/465197693.db2.gz OMUMEAYOPUIYHW-LLVKDONJSA-N -1 1 345.424 2.116 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccccc3)co2)co1 ZINC000351601613 465246414 /nfs/dbraw/zinc/24/64/14/465246414.db2.gz NANZVRFWTPHCCE-UHFFFAOYSA-N -1 1 347.352 2.095 20 0 EEADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(N)=O)c1 ZINC000351841897 465393675 /nfs/dbraw/zinc/39/36/75/465393675.db2.gz UUJKQLJGTMPZFA-UHFFFAOYSA-N -1 1 334.397 2.041 20 0 EEADMM O=S(=O)([N-]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1F ZINC000060509020 462555809 /nfs/dbraw/zinc/55/58/09/462555809.db2.gz NMDPQVYDZYUWIK-UHFFFAOYSA-N -1 1 345.298 2.311 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(C)C ZINC000086706545 462580789 /nfs/dbraw/zinc/58/07/89/462580789.db2.gz VVHUIQIZORTRDB-SECBINFHSA-N -1 1 342.280 2.460 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(C)(C)C ZINC000074973413 462660121 /nfs/dbraw/zinc/66/01/21/462660121.db2.gz KYNCRLSCSXAAOD-GFCCVEGCSA-N -1 1 325.352 2.443 20 0 EEADMM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ncccc1[O-] ZINC000114799521 462681645 /nfs/dbraw/zinc/68/16/45/462681645.db2.gz KSFPAQOMYBEWFG-UHFFFAOYSA-N -1 1 344.758 2.463 20 0 EEADMM C[C@@H](CN(C)C(=O)C1(Oc2ccc(Cl)cc2)CC1)c1nn[n-]n1 ZINC000552158231 468313145 /nfs/dbraw/zinc/31/31/45/468313145.db2.gz HWZCKQXMWDZPGB-JTQLQIEISA-N -1 1 335.795 2.027 20 0 EEADMM CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000089870018 462731729 /nfs/dbraw/zinc/73/17/29/462731729.db2.gz RJFLCWDLPUIFKT-OAHLLOKOSA-N -1 1 333.359 2.181 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)co1 ZINC000154150213 462734644 /nfs/dbraw/zinc/73/46/44/462734644.db2.gz VKTFJUNHBCVSMX-IAQYHMDHSA-N -1 1 334.397 2.021 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000116158443 462745387 /nfs/dbraw/zinc/74/53/87/462745387.db2.gz NFLCSFCBEJWFBL-UHFFFAOYSA-N -1 1 330.409 2.336 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000047327924 462769738 /nfs/dbraw/zinc/76/97/38/462769738.db2.gz GFBCMJFDCWWUSC-WBMJQRKESA-N -1 1 340.427 2.378 20 0 EEADMM Cn1c(CCNC(=O)Cc2ccc3c(c2)CCCC3)n[n-]c1=S ZINC000065542985 462795205 /nfs/dbraw/zinc/79/52/05/462795205.db2.gz LINBNBSYWNXDKS-UHFFFAOYSA-N -1 1 330.457 2.258 20 0 EEADMM CCn1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1=O ZINC000091015034 462819701 /nfs/dbraw/zinc/81/97/01/462819701.db2.gz YHWRTVFXIYUAOH-UHFFFAOYSA-N -1 1 327.384 2.068 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(c2cnccn2)CC1 ZINC000011543926 462834468 /nfs/dbraw/zinc/83/44/68/462834468.db2.gz ZBMAJLZQTXOQET-UHFFFAOYSA-N -1 1 334.379 2.298 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)ccc21 ZINC000012969925 462878503 /nfs/dbraw/zinc/87/85/03/462878503.db2.gz KDWRGPBKMKPAFD-UHFFFAOYSA-N -1 1 338.335 2.285 20 0 EEADMM Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2c1 ZINC000155468054 462895853 /nfs/dbraw/zinc/89/58/53/462895853.db2.gz DKIURBZNRVUVFB-ZDUSSCGKSA-N -1 1 336.399 2.385 20 0 EEADMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1ccc(-n2cccn2)cc1 ZINC000066637907 462915730 /nfs/dbraw/zinc/91/57/30/462915730.db2.gz KFOXLIJASFLRQT-UHFFFAOYSA-N -1 1 340.412 2.391 20 0 EEADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/C2CC2)c1 ZINC000092581999 462963573 /nfs/dbraw/zinc/96/35/73/462963573.db2.gz OEWAEMLLDPFWIN-JXMROGBWSA-N -1 1 338.429 2.327 20 0 EEADMM CSc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000067660134 463033864 /nfs/dbraw/zinc/03/38/64/463033864.db2.gz KHFVJIJURPQGEI-UHFFFAOYSA-N -1 1 347.425 2.185 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(C)o1 ZINC000095463660 463089912 /nfs/dbraw/zinc/08/99/12/463089912.db2.gz NZGDDHGKFJSHIK-UHFFFAOYSA-N -1 1 325.390 2.314 20 0 EEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2cc(C)on2)c(=O)[n-]1 ZINC000025137948 463110425 /nfs/dbraw/zinc/11/04/25/463110425.db2.gz JFMFAHGUUXLBIV-UHFFFAOYSA-N -1 1 336.417 2.100 20 0 EEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)cc1 ZINC000026542053 463166475 /nfs/dbraw/zinc/16/64/75/463166475.db2.gz OTFORFHKOOTGOC-UHFFFAOYSA-N -1 1 344.396 2.467 20 0 EEADMM O=C(NC[C@H](CO)Cc1ccncc1Cl)c1ccc([O-])cc1F ZINC000536100799 468342759 /nfs/dbraw/zinc/34/27/59/468342759.db2.gz CPUYQUPMPBIUHN-SNVBAGLBSA-N -1 1 338.766 2.161 20 0 EEADMM COCCn1ccc(NC(=O)c2cc(Br)ccc2[O-])n1 ZINC000158045765 463199624 /nfs/dbraw/zinc/19/96/24/463199624.db2.gz OSDMHYQTGGTSSN-UHFFFAOYSA-N -1 1 340.177 2.250 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCC[C@H]1C ZINC000054361433 463230032 /nfs/dbraw/zinc/23/00/32/463230032.db2.gz KAYNDKYASPWVGB-GFCCVEGCSA-N -1 1 326.400 2.084 20 0 EEADMM CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028833094 463233762 /nfs/dbraw/zinc/23/37/62/463233762.db2.gz UDTFTGYEMNVPSF-GFCCVEGCSA-N -1 1 333.413 2.411 20 0 EEADMM CCC[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000136636042 463249828 /nfs/dbraw/zinc/24/98/28/463249828.db2.gz MDJULQDQQMJOBQ-LBPRGKRZSA-N -1 1 335.795 2.474 20 0 EEADMM CCC[C@@H](NC(=O)c1csc(-c2ccc(C)n2C)n1)c1nn[n-]n1 ZINC000122721810 463286552 /nfs/dbraw/zinc/28/65/52/463286552.db2.gz SLLCWDVJMCVBMT-SNVBAGLBSA-N -1 1 345.432 2.241 20 0 EEADMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000080631849 463340255 /nfs/dbraw/zinc/34/02/55/463340255.db2.gz QFNKLHQNMIBKDF-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM CCN(c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1)C(C)C ZINC000124396372 463418615 /nfs/dbraw/zinc/41/86/15/463418615.db2.gz HTPUKMZKLYENRZ-CYBMUJFWSA-N -1 1 330.436 2.310 20 0 EEADMM COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000590866259 468360901 /nfs/dbraw/zinc/36/09/01/468360901.db2.gz PPAZQBKVUJYWIX-KOLCDFICSA-N -1 1 327.764 2.126 20 0 EEADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C(N)=O ZINC000081654819 463476862 /nfs/dbraw/zinc/47/68/62/463476862.db2.gz IENVTPDRRPQGFP-UHFFFAOYSA-N -1 1 342.399 2.035 20 0 EEADMM Cn1cc(N2CCC[C@H](O[N-]C(=O)CCC3CCCCC3)C2=O)cn1 ZINC000083536844 463547526 /nfs/dbraw/zinc/54/75/26/463547526.db2.gz DBZJFHLHWRBOJC-INIZCTEOSA-N -1 1 348.447 2.324 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c(F)cc1F ZINC000084077337 463576902 /nfs/dbraw/zinc/57/69/02/463576902.db2.gz TXKAQWQUXNIRLS-UHFFFAOYSA-N -1 1 344.314 2.312 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000084146186 463580343 /nfs/dbraw/zinc/58/03/43/463580343.db2.gz WWVZXQMADQYKPZ-UHFFFAOYSA-N -1 1 329.400 2.449 20 0 EEADMM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 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COc1ccc([O-])c(S(=O)(=O)NNc2c(F)cccc2Cl)c1 ZINC000769894376 577586612 /nfs/dbraw/zinc/58/66/12/577586612.db2.gz XRGHZWBUPCRRIV-UHFFFAOYSA-N -1 1 346.767 2.499 20 0 EEADMM CCCCOc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)c(Cl)c1 ZINC000770432094 577596170 /nfs/dbraw/zinc/59/61/70/577596170.db2.gz IULYAZSDTRWEFS-UHFFFAOYSA-N -1 1 339.779 2.298 20 0 EEADMM COc1cc(F)c([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1OC ZINC000759712824 577648408 /nfs/dbraw/zinc/64/84/08/577648408.db2.gz DEDUDYLMZWPNJQ-UHFFFAOYSA-N -1 1 349.771 2.031 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccn2C(C)C)cc1 ZINC000763889177 577727514 /nfs/dbraw/zinc/72/75/14/577727514.db2.gz UMWJUPKJRCLWSA-UHFFFAOYSA-N -1 1 344.367 2.191 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000753622264 577790880 /nfs/dbraw/zinc/79/08/80/577790880.db2.gz IVZYTOSYKBTGGP-LBPRGKRZSA-N -1 1 349.431 2.204 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CCc3ccc(F)cc32)co1 ZINC000756572106 577847043 /nfs/dbraw/zinc/84/70/43/577847043.db2.gz 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ZINC000735601999 578160963 /nfs/dbraw/zinc/16/09/63/578160963.db2.gz JQHHNRHNCWZZOQ-UHFFFAOYSA-N -1 1 342.325 2.312 20 0 EEADMM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735601999 578160964 /nfs/dbraw/zinc/16/09/64/578160964.db2.gz JQHHNRHNCWZZOQ-UHFFFAOYSA-N -1 1 342.325 2.312 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1nccnc1-c1nnn[n-]1 ZINC000735652909 578162552 /nfs/dbraw/zinc/16/25/52/578162552.db2.gz XXZDTKJCIGAPGS-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1nccnc1-c1nn[n-]n1 ZINC000735652909 578162553 /nfs/dbraw/zinc/16/25/53/578162553.db2.gz XXZDTKJCIGAPGS-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000736135573 578182477 /nfs/dbraw/zinc/18/24/77/578182477.db2.gz BLUPXWBDLWSDKW-SNVBAGLBSA-N -1 1 335.371 2.320 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000736135573 578182478 /nfs/dbraw/zinc/18/24/78/578182478.db2.gz BLUPXWBDLWSDKW-SNVBAGLBSA-N -1 1 335.371 2.320 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)C(=O)N1CCCC[C@H]1C ZINC000736136981 578182817 /nfs/dbraw/zinc/18/28/17/578182817.db2.gz ICYQASXUJSVRSE-ZJUUUORDSA-N -1 1 349.826 2.117 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)C(=O)N1CCCC[C@H]1C ZINC000736136981 578182818 /nfs/dbraw/zinc/18/28/18/578182818.db2.gz ICYQASXUJSVRSE-ZJUUUORDSA-N -1 1 349.826 2.117 20 0 EEADMM CC(=O)c1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736196216 578186497 /nfs/dbraw/zinc/18/64/97/578186497.db2.gz KSISYUHEZJBLKQ-UHFFFAOYSA-N -1 1 333.365 2.317 20 0 EEADMM CC(C)(C)CN(CCCO)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000736260913 578191674 /nfs/dbraw/zinc/19/16/74/578191674.db2.gz LBFNLNIPMCVFRG-UHFFFAOYSA-N -1 1 347.415 2.264 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000736408534 578201964 /nfs/dbraw/zinc/20/19/64/578201964.db2.gz JYCOISMCRAQAAH-GFCCVEGCSA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000736408534 578201965 /nfs/dbraw/zinc/20/19/65/578201965.db2.gz JYCOISMCRAQAAH-GFCCVEGCSA-N -1 1 336.355 2.080 20 0 EEADMM C[C@H](CNC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736593032 578213486 /nfs/dbraw/zinc/21/34/86/578213486.db2.gz MNZKYFMNHQYXOG-HLLBOEOZSA-N -1 1 344.455 2.482 20 0 EEADMM CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736780655 578223175 /nfs/dbraw/zinc/22/31/75/578223175.db2.gz ZFXCOIZSBHGGSU-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736780655 578223176 /nfs/dbraw/zinc/22/31/76/578223176.db2.gz ZFXCOIZSBHGGSU-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM C[C@H](CN(CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1)C(=O)[O-] ZINC000736788569 578223595 /nfs/dbraw/zinc/22/35/95/578223595.db2.gz FHEWOHZYISACFW-HZPDHXFCSA-N -1 1 332.444 2.468 20 0 EEADMM COC(=O)Nc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736940512 578229990 /nfs/dbraw/zinc/22/99/90/578229990.db2.gz REYFKEZWQJWSQX-UHFFFAOYSA-N -1 1 339.359 2.095 20 0 EEADMM COC(=O)Nc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736940512 578229991 /nfs/dbraw/zinc/22/99/91/578229991.db2.gz REYFKEZWQJWSQX-UHFFFAOYSA-N -1 1 339.359 2.095 20 0 EEADMM CCC[C@](C)(NCC(=O)N(C)Cc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000736961501 578231351 /nfs/dbraw/zinc/23/13/51/578231351.db2.gz UBMBXGUBCHHWAI-KRWDZBQOSA-N -1 1 340.395 2.026 20 0 EEADMM COc1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737097539 578237964 /nfs/dbraw/zinc/23/79/64/578237964.db2.gz LYAPJNQYPXYDNC-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737097539 578237965 /nfs/dbraw/zinc/23/79/65/578237965.db2.gz LYAPJNQYPXYDNC-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccccc1OCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737152882 578241191 /nfs/dbraw/zinc/24/11/91/578241191.db2.gz TULBQZUBNUSBIP-UHFFFAOYSA-N -1 1 346.778 2.415 20 0 EEADMM COc1ccccc1OCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737152882 578241192 /nfs/dbraw/zinc/24/11/92/578241192.db2.gz TULBQZUBNUSBIP-UHFFFAOYSA-N -1 1 346.778 2.415 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000737422849 578256790 /nfs/dbraw/zinc/25/67/90/578256790.db2.gz PDKDREFIHGMQJU-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000737422849 578256791 /nfs/dbraw/zinc/25/67/91/578256791.db2.gz PDKDREFIHGMQJU-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1-c1ccccc1 ZINC000737454039 578258587 /nfs/dbraw/zinc/25/85/87/578258587.db2.gz VRBKNMJMHNZXDD-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1-c1ccccc1 ZINC000737454039 578258588 /nfs/dbraw/zinc/25/85/88/578258588.db2.gz VRBKNMJMHNZXDD-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])n[nH]1 ZINC000820061913 597511026 /nfs/dbraw/zinc/51/10/26/597511026.db2.gz TYMPCFNXGJBAEO-SNVBAGLBSA-N -1 1 331.376 2.438 20 0 EEADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1CC[C@H](C(=O)[O-])C1 ZINC000817744405 597535905 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O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccccc2)on1 ZINC000826451267 607467131 /nfs/dbraw/zinc/46/71/31/607467131.db2.gz YHEOIBDECDLSKN-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000827368317 601123992 /nfs/dbraw/zinc/12/39/92/601123992.db2.gz AURMPQYRQUYLJL-JTQLQIEISA-N -1 1 343.786 2.492 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN2CCCC[C@H]2C1 ZINC000832915211 601171602 /nfs/dbraw/zinc/17/16/02/601171602.db2.gz HYYOIMOOYQDILT-HOCLYGCPSA-N -1 1 345.443 2.190 20 0 EEADMM COc1ccc(CN(C(=O)CN[C@](C)(C(=O)[O-])C2CC2)C2CC2)cc1 ZINC000832304378 601176978 /nfs/dbraw/zinc/17/69/78/601176978.db2.gz KWKDBFVUSHDRPS-IBGZPJMESA-N -1 1 346.427 2.029 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000828413501 601178705 /nfs/dbraw/zinc/17/87/05/601178705.db2.gz SRPJZHGEFQAZGX-CKEIUWERSA-N -1 1 330.428 2.391 20 0 EEADMM Cc1nnc(-c2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2)n1C ZINC000822505261 607497248 /nfs/dbraw/zinc/49/72/48/607497248.db2.gz FRSSSKAUOCQXQT-UHFFFAOYSA-N -1 1 336.359 2.176 20 0 EEADMM Cc1nnc(-c2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2)n1C ZINC000822505261 607497249 /nfs/dbraw/zinc/49/72/49/607497249.db2.gz FRSSSKAUOCQXQT-UHFFFAOYSA-N -1 1 336.359 2.176 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000833265698 601274263 /nfs/dbraw/zinc/27/42/63/601274263.db2.gz DQZWSJIJUKLWFA-UHFFFAOYSA-N -1 1 341.439 2.185 20 0 EEADMM Cc1cccc(C)c1NC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832964591 601338462 /nfs/dbraw/zinc/33/84/62/601338462.db2.gz GPWXRSNEUWGNEU-AWEZNQCLSA-N -1 1 335.473 2.481 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2coc3cc(F)ccc23)CC1 ZINC000827368922 601442437 /nfs/dbraw/zinc/44/24/37/601442437.db2.gz KREOOLDTLYBUGS-LBPRGKRZSA-N -1 1 348.374 2.122 20 0 EEADMM Cc1ccc(/C=C/CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928801 601504101 /nfs/dbraw/zinc/50/41/01/601504101.db2.gz WTIXWXDNQSWRLI-QDLOVBKTSA-N -1 1 330.428 2.406 20 0 EEADMM CCOc1ccc(-c2noc(CN3C[C@H](C(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000830054030 601535532 /nfs/dbraw/zinc/53/55/32/601535532.db2.gz JGWHRAQBNAXBNH-RISCZKNCSA-N -1 1 331.372 2.288 20 0 EEADMM COc1ccc(CNC(=O)c2sccc2CN(C)C)cc1C(=O)[O-] ZINC000832341410 601546095 /nfs/dbraw/zinc/54/60/95/601546095.db2.gz KNJPEPXDYLJODC-UHFFFAOYSA-N -1 1 348.424 2.447 20 0 EEADMM O=C([O-])CCN(CC[C@H]1CCOC1=O)Cc1cccc(F)c1F ZINC000833232711 601549378 /nfs/dbraw/zinc/54/93/78/601549378.db2.gz HRYOFPRGGUFKGG-NSHDSACASA-N -1 1 327.327 2.195 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@@H](c2ccsc2)O1 ZINC000824995322 607514631 /nfs/dbraw/zinc/51/46/31/607514631.db2.gz YSRZKUIXEMRCDZ-ABAIWWIYSA-N -1 1 342.428 2.285 20 0 EEADMM CCOC(=O)N[C@@H]1CCCN(Cc2cc(C(=O)[O-])sc2C)C1 ZINC000829860875 601619661 /nfs/dbraw/zinc/61/96/61/601619661.db2.gz HVIIAFFBASZEMY-GFCCVEGCSA-N -1 1 326.418 2.465 20 0 EEADMM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000825989861 601630889 /nfs/dbraw/zinc/63/08/89/601630889.db2.gz HRMSSPHVWZICBH-KSSFIOAISA-N -1 1 344.455 2.309 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@]2(CCOC2)C1 ZINC000832918352 601662365 /nfs/dbraw/zinc/66/23/65/601662365.db2.gz UUEGODVYUQVVHR-FZKQIMNGSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@]2(CCOC2)C1 ZINC000832918350 601662489 /nfs/dbraw/zinc/66/24/89/601662489.db2.gz UUEGODVYUQVVHR-ACJLOTCBSA-N -1 1 332.400 2.133 20 0 EEADMM COc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832628792 601854550 /nfs/dbraw/zinc/85/45/50/601854550.db2.gz UQFQMEMGOYBGMJ-UHFFFAOYSA-N -1 1 325.317 2.333 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(F)c1 ZINC000830582189 602361774 /nfs/dbraw/zinc/36/17/74/602361774.db2.gz ZLMYWFPXGOLGRV-OAHLLOKOSA-N -1 1 348.378 2.287 20 0 EEADMM O=C([O-])c1csc(NC(=O)CSc2n[nH]c(=S)s2)c1 ZINC000833116344 604313751 /nfs/dbraw/zinc/31/37/51/604313751.db2.gz RJDDTYSITPUTJD-UHFFFAOYSA-N -1 1 333.441 2.317 20 0 EEADMM CC(C)c1nnc(NC(=O)CNC2(C(=O)[O-])CCCCCC2)s1 ZINC000833511808 604478351 /nfs/dbraw/zinc/47/83/51/604478351.db2.gz GXAMMZDFIKHZKP-UHFFFAOYSA-N -1 1 340.449 2.367 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCN1CCOC ZINC000829139868 604502717 /nfs/dbraw/zinc/50/27/17/604502717.db2.gz ADLRBQWLHKAVTG-LBPRGKRZSA-N -1 1 341.433 2.021 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000833209191 604673547 /nfs/dbraw/zinc/67/35/47/604673547.db2.gz BNCSVMUTRKQHFU-LSDHHAIUSA-N -1 1 349.431 2.455 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)O1 ZINC000833576164 604830309 /nfs/dbraw/zinc/83/03/09/604830309.db2.gz HIHCYOMBXHBAGW-DOTOQJQBSA-N -1 1 344.411 2.261 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000833439301 604864142 /nfs/dbraw/zinc/86/41/42/604864142.db2.gz QKHGQHFNQICKEC-UONOGXRCSA-N -1 1 335.404 2.196 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000833673553 605019980 /nfs/dbraw/zinc/01/99/80/605019980.db2.gz KMOWUIGJEPGRLM-JTQLQIEISA-N -1 1 347.375 2.103 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000833768050 605024810 /nfs/dbraw/zinc/02/48/10/605024810.db2.gz XEIXWQUIWNGICO-SQNIBIBYSA-N -1 1 349.390 2.479 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000833767420 605077788 /nfs/dbraw/zinc/07/77/88/605077788.db2.gz FCDVQHFZYRDPQX-BZSNNMDCSA-N -1 1 349.390 2.479 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1O ZINC000833625202 605158236 /nfs/dbraw/zinc/15/82/36/605158236.db2.gz KCBAUMBSRZESRK-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCN1CCC(=O)[O-] ZINC000833619624 605251697 /nfs/dbraw/zinc/25/16/97/605251697.db2.gz UKAZTKHLVXNLSE-OAHLLOKOSA-N -1 1 330.428 2.116 20 0 EEADMM CC(=O)N1CCCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000833393304 605259582 /nfs/dbraw/zinc/25/95/82/605259582.db2.gz INJTUUSNWPGIMF-AWEZNQCLSA-N -1 1 344.333 2.385 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833471515 605554006 /nfs/dbraw/zinc/55/40/06/605554006.db2.gz LVMPUMUHSJBNEK-HNNXBMFYSA-N -1 1 334.420 2.258 20 0 EEADMM CN(Cc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)n1 ZINC000821616949 606045463 /nfs/dbraw/zinc/04/54/63/606045463.db2.gz POZCVFLHTXHMAH-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CN(Cc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)n1 ZINC000821616949 606045468 /nfs/dbraw/zinc/04/54/68/606045468.db2.gz POZCVFLHTXHMAH-UHFFFAOYSA-N -1 1 341.322 2.373 20 0 EEADMM CC(C)CCc1noc(COC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000820081718 606133361 /nfs/dbraw/zinc/13/33/61/606133361.db2.gz SCJLEIWYIJDGPF-UHFFFAOYSA-N -1 1 348.388 2.257 20 0 EEADMM CC(C)CCc1noc(COC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000820081718 606133363 /nfs/dbraw/zinc/13/33/63/606133363.db2.gz SCJLEIWYIJDGPF-UHFFFAOYSA-N -1 1 348.388 2.257 20 0 EEADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073351 606160860 /nfs/dbraw/zinc/16/08/60/606160860.db2.gz SJXHZQOZQUHUSH-YPMHNXCESA-N -1 1 346.439 2.327 20 0 EEADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820073351 606160861 /nfs/dbraw/zinc/16/08/61/606160861.db2.gz SJXHZQOZQUHUSH-YPMHNXCESA-N -1 1 346.439 2.327 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000822609589 606161550 /nfs/dbraw/zinc/16/15/50/606161550.db2.gz QZTMKXKQXZSZPB-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000822609589 606161553 /nfs/dbraw/zinc/16/15/53/606161553.db2.gz QZTMKXKQXZSZPB-UHFFFAOYSA-N -1 1 344.423 2.178 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1Cc2ccccc2S1 ZINC000823294523 606197727 /nfs/dbraw/zinc/19/77/27/606197727.db2.gz FNPWTNUBLMYTIL-CQSZACIVSA-N -1 1 339.380 2.228 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000823289205 606294329 /nfs/dbraw/zinc/29/43/29/606294329.db2.gz FYFNHQPFTRNDTI-LIRRHRJNSA-N -1 1 347.378 2.415 20 0 EEADMM Cc1nc(C2(NCc3ccc(-c4nn[n-]n4)s3)CCCC2)no1 ZINC000822432125 606415193 /nfs/dbraw/zinc/41/51/93/606415193.db2.gz XXXQCPRKZRPEQJ-UHFFFAOYSA-N -1 1 331.405 2.179 20 0 EEADMM OC[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823706405 606477803 /nfs/dbraw/zinc/47/78/03/606477803.db2.gz MHKHYSSNMUFNRJ-VIFPVBQESA-N -1 1 336.808 2.165 20 0 EEADMM OC[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823706405 606477804 /nfs/dbraw/zinc/47/78/04/606477804.db2.gz MHKHYSSNMUFNRJ-VIFPVBQESA-N -1 1 336.808 2.165 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823170725 606500842 /nfs/dbraw/zinc/50/08/42/606500842.db2.gz HHEJWTVBJAXQST-UHFFFAOYSA-N -1 1 325.397 2.390 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823170725 606500844 /nfs/dbraw/zinc/50/08/44/606500844.db2.gz HHEJWTVBJAXQST-UHFFFAOYSA-N -1 1 325.397 2.390 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2[nH]1 ZINC000820397568 606521267 /nfs/dbraw/zinc/52/12/67/606521267.db2.gz QNOUSXAQXIJZKZ-QMMMGPOBSA-N -1 1 339.384 2.296 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2[nH]1 ZINC000820397568 606521269 /nfs/dbraw/zinc/52/12/69/606521269.db2.gz QNOUSXAQXIJZKZ-QMMMGPOBSA-N -1 1 339.384 2.296 20 0 EEADMM COc1ccc(CCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821789827 606529425 /nfs/dbraw/zinc/52/94/25/606529425.db2.gz AJFPTLIYLFVYFB-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM COc1ccc(CCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821789827 606529426 /nfs/dbraw/zinc/52/94/26/606529426.db2.gz AJFPTLIYLFVYFB-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821849310 606535272 /nfs/dbraw/zinc/53/52/72/606535272.db2.gz CTKDGAJXZJAKPV-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821849310 606535274 /nfs/dbraw/zinc/53/52/74/606535274.db2.gz CTKDGAJXZJAKPV-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823182857 606559059 /nfs/dbraw/zinc/55/90/59/606559059.db2.gz PAFSPBOIXBVDMD-NSHDSACASA-N -1 1 325.397 2.388 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823182857 606559060 /nfs/dbraw/zinc/55/90/60/606559060.db2.gz PAFSPBOIXBVDMD-NSHDSACASA-N -1 1 325.397 2.388 20 0 EEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC000820026049 606567443 /nfs/dbraw/zinc/56/74/43/606567443.db2.gz GODKAQILKVXMOP-ZDUSSCGKSA-N -1 1 328.401 2.450 20 0 EEADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccn1 ZINC000820026049 606567444 /nfs/dbraw/zinc/56/74/44/606567444.db2.gz GODKAQILKVXMOP-ZDUSSCGKSA-N -1 1 328.401 2.450 20 0 EEADMM Cc1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000822263058 606648689 /nfs/dbraw/zinc/64/86/89/606648689.db2.gz IHJMPDCTNJGODR-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000822263058 606648690 /nfs/dbraw/zinc/64/86/90/606648690.db2.gz IHJMPDCTNJGODR-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM COCCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821687054 607175473 /nfs/dbraw/zinc/17/54/73/607175473.db2.gz MHDCHDWTLTYSOT-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM COCCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821687054 607175474 /nfs/dbraw/zinc/17/54/74/607175474.db2.gz MHDCHDWTLTYSOT-UHFFFAOYSA-N -1 1 325.376 2.039 20 0 EEADMM COc1ccc(C=O)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826191000 607866204 /nfs/dbraw/zinc/86/62/04/607866204.db2.gz UCXPYLXHBNVWNF-UHFFFAOYSA-N -1 1 328.303 2.406 20 0 EEADMM COc1ccc(C=O)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826191000 607866205 /nfs/dbraw/zinc/86/62/05/607866205.db2.gz UCXPYLXHBNVWNF-UHFFFAOYSA-N -1 1 328.303 2.406 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826505115 607875053 /nfs/dbraw/zinc/87/50/53/607875053.db2.gz NAGWRUHXZZDXJU-GFCCVEGCSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@H](COc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826505115 607875054 /nfs/dbraw/zinc/87/50/54/607875054.db2.gz NAGWRUHXZZDXJU-GFCCVEGCSA-N -1 1 336.273 2.396 20 0 EEADMM c1csc(Cc2nc(Sc3cccc(-c4nn[n-]n4)n3)n[nH]2)c1 ZINC000826518012 607896036 /nfs/dbraw/zinc/89/60/36/607896036.db2.gz YJQAYKKDUCWGDK-UHFFFAOYSA-N -1 1 342.413 2.183 20 0 EEADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1c([O-])cccc1F ZINC000826402408 608168019 /nfs/dbraw/zinc/16/80/19/608168019.db2.gz SXCHSGWSMZVNND-CMDGGOBGSA-N -1 1 325.303 2.363 20 0 EEADMM Clc1nsc(N2CCO[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826354351 608189821 /nfs/dbraw/zinc/18/98/21/608189821.db2.gz ZDGIGOIJKCQQRX-JGVFFNPUSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nsc(N2CCO[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826354351 608189823 /nfs/dbraw/zinc/18/98/23/608189823.db2.gz ZDGIGOIJKCQQRX-JGVFFNPUSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824670430 608235411 /nfs/dbraw/zinc/23/54/11/608235411.db2.gz ONGLVDSEJFTMFN-YFKPBYRVSA-N -1 1 330.801 2.119 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824670430 608235412 /nfs/dbraw/zinc/23/54/12/608235412.db2.gz ONGLVDSEJFTMFN-YFKPBYRVSA-N -1 1 330.801 2.119 20 0 EEADMM COc1ccc([C@H](OC)[C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826189659 608239063 /nfs/dbraw/zinc/23/90/63/608239063.db2.gz AVUFKKMFVVNKKA-BDJLRTHQSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccc([C@H](OC)[C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826189659 608239064 /nfs/dbraw/zinc/23/90/64/608239064.db2.gz AVUFKKMFVVNKKA-BDJLRTHQSA-N -1 1 340.387 2.458 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826472333 608333738 /nfs/dbraw/zinc/33/37/38/608333738.db2.gz HFYUCRYPAKBMDL-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826472333 608333740 /nfs/dbraw/zinc/33/37/40/608333740.db2.gz HFYUCRYPAKBMDL-VXGBXAGGSA-N -1 1 347.444 2.207 20 0 EEADMM Fc1ccc(OCCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826375787 608393760 /nfs/dbraw/zinc/39/37/60/608393760.db2.gz BOCYWJWJJWMTMT-UHFFFAOYSA-N -1 1 329.339 2.067 20 0 EEADMM Fc1ccc(OCCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826375787 608393762 /nfs/dbraw/zinc/39/37/62/608393762.db2.gz BOCYWJWJJWMTMT-UHFFFAOYSA-N -1 1 329.339 2.067 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826376966 608400786 /nfs/dbraw/zinc/40/07/86/608400786.db2.gz ZERBDRDNOZUGDG-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826376966 608400788 /nfs/dbraw/zinc/40/07/88/608400788.db2.gz ZERBDRDNOZUGDG-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM COc1cccc(CN(CC(C)C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826216323 608407183 /nfs/dbraw/zinc/40/71/83/608407183.db2.gz SNWMYFAJQGKORN-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM COc1cccc(CN(CC(C)C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826216323 608407184 /nfs/dbraw/zinc/40/71/84/608407184.db2.gz SNWMYFAJQGKORN-UHFFFAOYSA-N -1 1 339.403 2.328 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC000826287646 608408413 /nfs/dbraw/zinc/40/84/13/608408413.db2.gz XHGFBUJLPNEKJX-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC000826287646 608408414 /nfs/dbraw/zinc/40/84/14/608408414.db2.gz XHGFBUJLPNEKJX-HNNXBMFYSA-N -1 1 335.415 2.424 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824897865 608424349 /nfs/dbraw/zinc/42/43/49/608424349.db2.gz CAPSWJDCJQQAJE-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824897865 608424351 /nfs/dbraw/zinc/42/43/51/608424351.db2.gz CAPSWJDCJQQAJE-IINYFYTJSA-N -1 1 325.351 2.383 20 0 EEADMM CCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582411 608424544 /nfs/dbraw/zinc/42/45/44/608424544.db2.gz KSVVQSSJKGWMAR-STQMWFEESA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582411 608424546 /nfs/dbraw/zinc/42/45/46/608424546.db2.gz KSVVQSSJKGWMAR-STQMWFEESA-N -1 1 329.408 2.197 20 0 EEADMM COc1cccc(CNc2nc(-c3nn[n-]n3)ccc2C)c1OC ZINC000826216189 608544519 /nfs/dbraw/zinc/54/45/19/608544519.db2.gz NUDSGLXOZZQVHN-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM Fc1cccc(-n2ccc(NC[C@@H]3CCCOC3)n2)c1-c1nn[n-]n1 ZINC000826376854 609279233 /nfs/dbraw/zinc/27/92/33/609279233.db2.gz VSYDVZGAMMAGJB-NSHDSACASA-N -1 1 343.366 2.030 20 0 EEADMM Cc1ccc(CC[N@H+]2CC[C@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC001038190626 675996208 /nfs/dbraw/zinc/99/62/08/675996208.db2.gz BYYUVSWPYMRHPL-INIZCTEOSA-N -1 1 325.412 2.142 20 0 EEADMM Cc1nnc(NNC(=O)c2cc(Cl)c3ccccc3c2O)[n-]c1=O ZINC000080001302 675452192 /nfs/dbraw/zinc/45/21/92/675452192.db2.gz OOASVFNPSYDMEN-UHFFFAOYSA-N -1 1 345.746 2.155 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)CC[C@H]3CCc4ccccc43)nc2n1 ZINC000890964644 675834731 /nfs/dbraw/zinc/83/47/31/675834731.db2.gz XOUIFLAKYIRDPR-CYBMUJFWSA-N -1 1 337.383 2.175 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)[C@H](C)c3ccccc3F)C2)c1[O-] ZINC000971350547 676496560 /nfs/dbraw/zinc/49/65/60/676496560.db2.gz HOMAWYQXLJALDW-OLZOCXBDSA-N -1 1 346.406 2.470 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1COc2ccccc2C1 ZINC000891627526 676735295 /nfs/dbraw/zinc/73/52/95/676735295.db2.gz WUWFZMOBDCWOTM-LBPRGKRZSA-N -1 1 325.368 2.251 20 0 EEADMM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cccc2cn[nH]c21 ZINC000176231541 677818387 /nfs/dbraw/zinc/81/83/87/677818387.db2.gz DWOINJLEFQTATO-UHFFFAOYSA-N -1 1 349.799 2.476 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2Cl)sn1 ZINC000866858087 677911992 /nfs/dbraw/zinc/91/19/92/677911992.db2.gz ZGVVVGMGBDSVPA-NSHDSACASA-N -1 1 332.834 2.117 20 0 EEADMM O=S(=O)([N-]C[C@@H]1COc2ccccc2C1)c1cc(F)ccc1F ZINC000052537107 679227394 /nfs/dbraw/zinc/22/73/94/679227394.db2.gz BSOVDIPIVYQGQW-LLVKDONJSA-N -1 1 339.363 2.494 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(C)c2C)cc1 ZINC000039585842 679836622 /nfs/dbraw/zinc/83/66/22/679836622.db2.gz FNYCXANIKRHNBK-UHFFFAOYSA-N -1 1 341.363 2.425 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nccn1C1CC1 ZINC000840570998 680037262 /nfs/dbraw/zinc/03/72/62/680037262.db2.gz NVHDJXLZUCZOKY-UHFFFAOYSA-N -1 1 334.401 2.232 20 0 EEADMM CC(C)n1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccccc3O)C2)n1 ZINC001028418259 681357979 /nfs/dbraw/zinc/35/79/79/681357979.db2.gz ZSSHXLJEBJBVAV-HNNXBMFYSA-N -1 1 342.443 2.422 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000982949720 681561858 /nfs/dbraw/zinc/56/18/58/681561858.db2.gz DMLOSORTMKRCCY-QWHCGFSZSA-N -1 1 333.432 2.048 20 0 EEADMM CN(C(=O)[C@H]1CCCC12CC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216819 681699768 /nfs/dbraw/zinc/69/97/68/681699768.db2.gz MSQLISLHPLHSFE-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)[C@@]12C[C@@H]1CCCC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217201 681702206 /nfs/dbraw/zinc/70/22/06/681702206.db2.gz SMSLAXHGDULURB-NJSLBKSFSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC2(C)C)c1[O-] ZINC000973043178 681925697 /nfs/dbraw/zinc/92/56/97/681925697.db2.gz NNSLJHSUWGTNOC-CQSZACIVSA-N -1 1 346.406 2.203 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cccc(F)c3)CC2(C)C)c1[O-] ZINC000973043178 681925703 /nfs/dbraw/zinc/92/57/03/681925703.db2.gz NNSLJHSUWGTNOC-CQSZACIVSA-N -1 1 346.406 2.203 20 0 EEADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-])C1CC=CC1 ZINC000973588632 682798973 /nfs/dbraw/zinc/79/89/73/682798973.db2.gz LXBUYPKVYQUZDF-GOOCMWNKSA-N -1 1 341.411 2.005 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC2)C1 ZINC000973674421 682891694 /nfs/dbraw/zinc/89/16/94/682891694.db2.gz LYRGGTRBHNDOIT-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCCN3C(=O)c3ncccc3[O-])C2)CC1 ZINC000973728118 683188779 /nfs/dbraw/zinc/18/87/79/683188779.db2.gz VSYJMGORXXJFTR-KBPBESRZSA-N -1 1 343.427 2.040 20 0 EEADMM C/C=C(/C)C(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973729665 683196899 /nfs/dbraw/zinc/19/68/99/683196899.db2.gz YZUYCGLRSFJUAA-JBCIRVFLSA-N -1 1 343.427 2.207 20 0 EEADMM COCc1nc(N2CCc3ccc(C(C)=O)cc3CC2)cc(=O)[n-]1 ZINC000892984460 683464489 /nfs/dbraw/zinc/46/44/89/683464489.db2.gz UQXSBNYNDAGZDA-UHFFFAOYSA-N -1 1 327.384 2.136 20 0 EEADMM COCc1nc(NCCCc2cc(OC)ccc2OC)cc(=O)[n-]1 ZINC000893003290 683527313 /nfs/dbraw/zinc/52/73/13/683527313.db2.gz GYDNPLQSSJZPSC-UHFFFAOYSA-N -1 1 333.388 2.391 20 0 EEADMM CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)CCC1 ZINC001025903761 683620203 /nfs/dbraw/zinc/62/02/03/683620203.db2.gz KFYDAYIGSBBRBM-KBPBESRZSA-N -1 1 343.427 2.135 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000180924873 684077399 /nfs/dbraw/zinc/07/73/99/684077399.db2.gz BTIUBHIGVGVGBZ-UHFFFAOYSA-N -1 1 338.707 2.400 20 0 EEADMM Cn1ccc(-c2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)n[nH]2)c1 ZINC000909478200 684141081 /nfs/dbraw/zinc/14/10/81/684141081.db2.gz MRIPVUWITMGWPO-LBPRGKRZSA-N -1 1 330.388 2.132 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000909489894 684170268 /nfs/dbraw/zinc/17/02/68/684170268.db2.gz HAZMBURCTIHEFP-MRVPVSSYSA-N -1 1 333.310 2.392 20 0 EEADMM CC[C@]1(C(C)C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057385 684270598 /nfs/dbraw/zinc/27/05/98/684270598.db2.gz QRIJWVKIJYQOGV-ZYKCCNLVSA-N -1 1 345.443 2.237 20 0 EEADMM CCN(CC1CCN(C(=O)C(C)C)CC1)C(=O)c1ncccc1[O-] ZINC000936382485 684309229 /nfs/dbraw/zinc/30/92/29/684309229.db2.gz PAWAXXGZRYDISH-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(=O)[n-]c(COC)n2)[C@H]1Oc1ccccc1 ZINC000893256793 684321643 /nfs/dbraw/zinc/32/16/43/684321643.db2.gz XCCOKGQUMZZAAP-PMUMKWKESA-N -1 1 345.399 2.366 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978740325 693863650 /nfs/dbraw/zinc/86/36/50/693863650.db2.gz AZKMCBRUFUHFOE-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978741399 693864057 /nfs/dbraw/zinc/86/40/57/693864057.db2.gz TWDATIGZYCOIDM-XJFOESAGSA-N -1 1 345.443 2.094 20 0 EEADMM CCC1(C(=O)N2CCC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)CCC1 ZINC000984513687 684675758 /nfs/dbraw/zinc/67/57/58/684675758.db2.gz JSRKTUBGKLVCOL-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC000975219616 686313252 /nfs/dbraw/zinc/31/32/52/686313252.db2.gz KFEVZCJNGOCFGR-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM CC(C)C1(C(=O)N2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000975914971 687002371 /nfs/dbraw/zinc/00/23/71/687002371.db2.gz LFLUVOFAKYQOMH-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909640312 687297205 /nfs/dbraw/zinc/29/72/05/687297205.db2.gz KXZGYBWFSKRQOT-NSHDSACASA-N -1 1 341.289 2.196 20 0 EEADMM O=C(N[C@H]1C[C@@H](Nc2nc(C3CCC3)ns2)C1)c1ncccc1[O-] ZINC001059613367 687402320 /nfs/dbraw/zinc/40/23/20/687402320.db2.gz CJLIDOWXKDYTHX-PHIMTYICSA-N -1 1 345.428 2.279 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CCC2)c1ncccc1[O-] ZINC000976572093 687850975 /nfs/dbraw/zinc/85/09/75/687850975.db2.gz RVJJBRCSAZTQAO-BFHYXJOUSA-N -1 1 343.427 2.135 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060167668 694221206 /nfs/dbraw/zinc/22/12/06/694221206.db2.gz OWFLKYAFTGHXIE-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cnc(C[N@@H+](C)CC2CCN(C(=O)c3ncccc3O)CC2)o1 ZINC001029959527 688696797 /nfs/dbraw/zinc/69/67/97/688696797.db2.gz SQMIHXLFSAEIGC-UHFFFAOYSA-N -1 1 344.415 2.068 20 0 EEADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1OC ZINC000904047809 694282543 /nfs/dbraw/zinc/28/25/43/694282543.db2.gz JVYUXNHWQZOPFG-INIZCTEOSA-N -1 1 333.388 2.051 20 0 EEADMM COc1cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC(C)C ZINC000904047797 694282655 /nfs/dbraw/zinc/28/26/55/694282655.db2.gz JOFZHMRPGXTZEE-KRWDZBQOSA-N -1 1 347.415 2.440 20 0 EEADMM Cc1nn(C)cc1CN[C@@H](C(=O)[O-])c1csc(Br)c1 ZINC000904071944 694284096 /nfs/dbraw/zinc/28/40/96/694284096.db2.gz NRQTXPNDMTYALO-LLVKDONJSA-N -1 1 344.234 2.468 20 0 EEADMM CC(C)c1ccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)[C@H]2C)cc1 ZINC000987405080 689683425 /nfs/dbraw/zinc/68/34/25/689683425.db2.gz QICGDNLCTYXNGL-DOMZBBRYSA-N -1 1 343.431 2.027 20 0 EEADMM O=C([O-])c1ccc(CNCc2ccncc2OC[C@H]2CCOC2)cc1 ZINC000263412537 689812383 /nfs/dbraw/zinc/81/23/83/689812383.db2.gz LYKYUTDWIGYNRD-HNNXBMFYSA-N -1 1 342.395 2.485 20 0 EEADMM O=C(CC1CCCCC1)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937646150 690649197 /nfs/dbraw/zinc/64/91/97/690649197.db2.gz RPYSNWRQBOQWLQ-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1ccc(C)c(C(=O)NCc2cc(N(C)C)ccn2)c1C(=O)[O-] ZINC000905128425 694544806 /nfs/dbraw/zinc/54/48/06/694544806.db2.gz LDTGMYJFZUZNAG-UHFFFAOYSA-N -1 1 327.384 2.393 20 0 EEADMM Cc1sccc1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC000977712583 692942706 /nfs/dbraw/zinc/94/27/06/692942706.db2.gz TWLVXWIQYOFWSK-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM CN(C[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)[C@H]1CC12CC2 ZINC000990522643 693001153 /nfs/dbraw/zinc/00/11/53/693001153.db2.gz SWBOGLPCXYGTAN-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H]1C(=O)N([N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)C(=O)N1C ZINC000899039243 693579587 /nfs/dbraw/zinc/57/95/87/693579587.db2.gz VVFUZZGEMKMZTG-XCBNKYQSSA-N -1 1 347.268 2.030 20 0 EEADMM CC1(C)CC(C(=O)N[C@H]2CCCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000943227500 1192124374 /nfs/dbraw/zinc/12/43/74/1192124374.db2.gz RMWNMETWSRPVRB-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC(=O)N1CCC[C@@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000943824055 1192592557 /nfs/dbraw/zinc/59/25/57/1192592557.db2.gz XPJIIRPJXSRZCQ-CYBMUJFWSA-N -1 1 348.447 2.135 20 0 EEADMM Cc1ccccc1C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000943976954 1192733552 /nfs/dbraw/zinc/73/35/52/1192733552.db2.gz PPZNWKTZPZKQFW-CQSZACIVSA-N -1 1 339.395 2.130 20 0 EEADMM Cc1csc(C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC000944003917 1192748791 /nfs/dbraw/zinc/74/87/91/1192748791.db2.gz RMUZXJGXAWDGMV-GFCCVEGCSA-N -1 1 345.424 2.192 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c2ccc(F)cc2n1 ZINC000129486008 1177893233 /nfs/dbraw/zinc/89/32/33/1177893233.db2.gz GPQPEZZLRGTCJG-LLVKDONJSA-N -1 1 340.362 2.215 20 0 EEADMM 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EEADMM CCOC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000801418950 1235550168 /nfs/dbraw/zinc/55/01/68/1235550168.db2.gz YBPLHHIDFBSTGT-NSHDSACASA-N -1 1 332.356 2.249 20 0 EEADMM COc1cc2c(cc1CNCc1ccc(CC(=O)[O-])cc1)OCO2 ZINC000901539471 1235938658 /nfs/dbraw/zinc/93/86/58/1235938658.db2.gz QTONCWRRAOSBBK-UHFFFAOYSA-N -1 1 329.352 2.341 20 0 EEADMM COc1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1F ZINC000901912636 1236616290 /nfs/dbraw/zinc/61/62/90/1236616290.db2.gz ZCZPIOSHHYXSAL-UHFFFAOYSA-N -1 1 325.365 2.168 20 0 EEADMM C[C@@H](C(=O)[O-])C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000902265283 1237310468 /nfs/dbraw/zinc/31/04/68/1237310468.db2.gz XKGMDWBIQMNIGQ-SKDRFNHKSA-N -1 1 332.322 2.145 20 0 EEADMM O=C(NC1CC(CNc2nc(C3CC3)ns2)C1)c1ncccc1[O-] ZINC001067843619 1249755330 /nfs/dbraw/zinc/75/53/30/1249755330.db2.gz SAEGAYOWPGWGFK-UHFFFAOYSA-N -1 1 345.428 2.137 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)c1OC ZINC000903610721 1241151910 /nfs/dbraw/zinc/15/19/10/1241151910.db2.gz DQFAYKXCBZYYFJ-UHFFFAOYSA-N -1 1 339.417 2.426 20 0 EEADMM Cc1nc(Cl)cc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057624295 1244472164 /nfs/dbraw/zinc/47/21/64/1244472164.db2.gz WDEQEFKFRSQLLO-LLVKDONJSA-N -1 1 347.806 2.256 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2c1CCCCC2 ZINC001097765714 1244584481 /nfs/dbraw/zinc/58/44/81/1244584481.db2.gz WUUKMTPJQSXWIG-LBPRGKRZSA-N -1 1 341.415 2.077 20 0 EEADMM CC(C)CN(CC(=O)[O-])C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000780342120 1245829736 /nfs/dbraw/zinc/82/97/36/1245829736.db2.gz VIGSOEIJIKQLER-LBPRGKRZSA-N -1 1 327.450 2.103 20 0 EEADMM CCCC1(C(=O)N2CC[C@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC001051543274 1245864966 /nfs/dbraw/zinc/86/49/66/1245864966.db2.gz CSIUBOHPLXYPMS-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@](C)(NC(=O)NC[C@H](c1cccs1)N(C)C)C(=O)[O-] ZINC000780341502 1245898519 /nfs/dbraw/zinc/89/85/19/1245898519.db2.gz OAWWJJVKKRBIGS-IAQYHMDHSA-N -1 1 327.450 2.293 20 0 EEADMM C[C@@H]1CN(C(=O)CCCC2CC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001053218745 1246061806 /nfs/dbraw/zinc/06/18/06/1246061806.db2.gz OLQBUTGQCCMMOP-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@H](Nc1cnc(F)cn1)[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058007346 1248255225 /nfs/dbraw/zinc/25/52/25/1248255225.db2.gz SZBHJLWEYQPWAI-NWDGAFQWSA-N -1 1 345.378 2.212 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]2C)CCC1 ZINC001074132388 1256740339 /nfs/dbraw/zinc/74/03/39/1256740339.db2.gz ZLFFYKDGXBWEPZ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(C)c(C)c(N[C@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001099104696 1257967891 /nfs/dbraw/zinc/96/78/91/1257967891.db2.gz INMSVXCNYZORLY-SNVBAGLBSA-N -1 1 329.404 2.123 20 0 EEADMM COc1ccccc1C1(C(=O)OCc2nc(=O)n(C)[n-]2)CCCCC1 ZINC000815303556 1278093996 /nfs/dbraw/zinc/09/39/96/1278093996.db2.gz NBMNDFZUGOJTNH-UHFFFAOYSA-N -1 1 345.399 2.062 20 0 EEADMM CC(C)c1noc(=NC[C@H]2CCCN(C3CC3)[C@@H]2c2ccnn2C)[n-]1 ZINC000344460445 1278548351 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O=C(Nc1cnc2ccc(Cl)nn21)c1ncc(C(F)(F)F)[n-]1 ZINC001188277657 1279825815 /nfs/dbraw/zinc/82/58/15/1279825815.db2.gz JWDGHYHZJCKYOW-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM O=C(Nc1cnc2ccc(Cl)nn21)c1nc(C(F)(F)F)c[n-]1 ZINC001188277657 1279825829 /nfs/dbraw/zinc/82/58/29/1279825829.db2.gz JWDGHYHZJCKYOW-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM O=S(=O)(CCCF)[N-]c1cc(Br)cn2ccnc12 ZINC001189868456 1280528321 /nfs/dbraw/zinc/52/83/21/1280528321.db2.gz KRFOBNBKNDIPIN-UHFFFAOYSA-N -1 1 336.186 2.198 20 0 EEADMM O=C(NCc1nn[n-]n1)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001190022449 1280606975 /nfs/dbraw/zinc/60/69/75/1280606975.db2.gz RCFOHLDBQSHDDE-UHFFFAOYSA-N -1 1 340.092 2.455 20 0 EEADMM NC(=O)Cc1cccc(NC(=O)c2cnc(-c3ccccc3)[n-]c2=O)c1 ZINC001190271327 1280771626 /nfs/dbraw/zinc/77/16/26/1280771626.db2.gz SPSSRENCVMFHJE-UHFFFAOYSA-N -1 1 348.362 2.129 20 0 EEADMM CC(F)(F)c1ccc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001190516233 1280925047 /nfs/dbraw/zinc/92/50/47/1280925047.db2.gz 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/nfs/dbraw/zinc/92/32/24/1351923224.db2.gz IQBZLFJRWAXFEG-ZCFIWIBFSA-N -1 1 344.828 2.366 20 0 EEADMM COC(=O)[C@@H](CC(C)(C)C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609293110 1351923227 /nfs/dbraw/zinc/92/32/27/1351923227.db2.gz IQBZLFJRWAXFEG-ZCFIWIBFSA-N -1 1 344.828 2.366 20 0 EEADMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001328708915 1334504552 /nfs/dbraw/zinc/50/45/52/1334504552.db2.gz SRWOYZPKCCOKGI-MRVPVSSYSA-N -1 1 339.244 2.482 20 0 EEADMM CC(=O)OCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC001328783877 1334520570 /nfs/dbraw/zinc/52/05/70/1334520570.db2.gz AAXGJFLYPCHYEC-AWEZNQCLSA-N -1 1 349.399 2.126 20 0 EEADMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609354171 1351942818 /nfs/dbraw/zinc/94/28/18/1351942818.db2.gz OZNWYFQPUYBCIC-NSHDSACASA-N -1 1 341.371 2.077 20 0 EEADMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609354171 1351942820 /nfs/dbraw/zinc/94/28/20/1351942820.db2.gz OZNWYFQPUYBCIC-NSHDSACASA-N -1 1 341.371 2.077 20 0 EEADMM Clc1ccc(Cl)c(Cn2ccn3ncc(-c4nn[n-]n4)c23)n1 ZINC001609473141 1351991233 /nfs/dbraw/zinc/99/12/33/1351991233.db2.gz LOJQGONSIOOJGY-UHFFFAOYSA-N -1 1 335.158 2.066 20 0 EEADMM O=C(Cc1cnc2ccccc2c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609537168 1352008552 /nfs/dbraw/zinc/00/85/52/1352008552.db2.gz VMHTYYVWJGABGP-UHFFFAOYSA-N -1 1 346.350 2.302 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cc(Cl)ccn1 ZINC001609569635 1352019713 /nfs/dbraw/zinc/01/97/13/1352019713.db2.gz BJKLQWFNHWHZIB-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM COc1ccc2[nH]c(C)c(C(=O)N3CCC(c4nn[n-]n4)CC3)c2c1 ZINC001332705861 1335886858 /nfs/dbraw/zinc/88/68/58/1335886858.db2.gz CLSOJKLBLRZQDO-UHFFFAOYSA-N -1 1 340.387 2.018 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1c(F)cc(F)cc1F ZINC001609577611 1352024487 /nfs/dbraw/zinc/02/44/87/1352024487.db2.gz PWFZVWSAHXKIAR-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1c(F)cc(F)cc1F ZINC001609577611 1352024492 /nfs/dbraw/zinc/02/44/92/1352024492.db2.gz PWFZVWSAHXKIAR-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM c1ccc2c(c1)CCOC21CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609618221 1352042205 /nfs/dbraw/zinc/04/22/05/1352042205.db2.gz ZEFHJOUAYMFCDX-UHFFFAOYSA-N -1 1 348.410 2.330 20 0 EEADMM c1ccc2c(c1)CCOC21CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609618221 1352042206 /nfs/dbraw/zinc/04/22/06/1352042206.db2.gz ZEFHJOUAYMFCDX-UHFFFAOYSA-N -1 1 348.410 2.330 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC001609735041 1352072291 /nfs/dbraw/zinc/07/22/91/1352072291.db2.gz HZCSTAGWYJRYMB-SNVBAGLBSA-N -1 1 338.433 2.033 20 0 EEADMM C[C@@H](CN(CN1C(=O)C(C)(C)[C@H]1c1ccncc1)C1CC1)C(=O)[O-] ZINC001609741764 1352074149 /nfs/dbraw/zinc/07/41/49/1352074149.db2.gz MUWJMBQDXYJAGG-SWLSCSKDSA-N -1 1 331.416 2.134 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1coc2ccc(F)cc21 ZINC001609870354 1352108198 /nfs/dbraw/zinc/10/81/98/1352108198.db2.gz HVGBSWRETFPTKK-NSHDSACASA-N -1 1 334.347 2.193 20 0 EEADMM CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001609940642 1352124922 /nfs/dbraw/zinc/12/49/22/1352124922.db2.gz MODPTBJHNCJLBE-HZPDHXFCSA-N -1 1 348.443 2.160 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCc2ccccc2C1 ZINC001341773255 1337298368 /nfs/dbraw/zinc/29/83/68/1337298368.db2.gz VKWBIAMOKDDVIH-UHFFFAOYSA-N -1 1 348.410 2.418 20 0 EEADMM COC(=O)c1ccc(C(=O)OCCCCCC2(C)OCCO2)[n-]1 ZINC001345059623 1337422925 /nfs/dbraw/zinc/42/29/25/1337422925.db2.gz KHHRBAXPPJTEPM-UHFFFAOYSA-N -1 1 325.361 2.282 20 0 EEADMM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(C(=O)[O-])c(C)n1C ZINC001610008895 1352139313 /nfs/dbraw/zinc/13/93/13/1352139313.db2.gz UXDUBNWTPRQJBS-CYBMUJFWSA-N -1 1 337.420 2.132 20 0 EEADMM COc1cccc2c1OCC[C@H]2NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001347786675 1337521187 /nfs/dbraw/zinc/52/11/87/1337521187.db2.gz OWPODFZBSMBBAG-SNVBAGLBSA-N -1 1 347.396 2.042 20 0 EEADMM CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(C(=O)[O-])n3)cccc21 ZINC001610099022 1352161688 /nfs/dbraw/zinc/16/16/88/1352161688.db2.gz UITFBPUWKHTHQA-OAHLLOKOSA-N -1 1 341.367 2.417 20 0 EEADMM COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001610160044 1352176377 /nfs/dbraw/zinc/17/63/77/1352176377.db2.gz WYFBNPBXRWOXFX-RISCZKNCSA-N -1 1 349.280 2.379 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(O)c1 ZINC001610343009 1352208444 /nfs/dbraw/zinc/20/84/44/1352208444.db2.gz GTDAIHVMLHMMHK-UHFFFAOYSA-N -1 1 341.316 2.039 20 0 EEADMM Cc1[nH]c(C(=O)N2CCNC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001610400425 1352216865 /nfs/dbraw/zinc/21/68/65/1352216865.db2.gz XJAPEVIRXRNCQM-CQSZACIVSA-N -1 1 327.384 2.116 20 0 EEADMM Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc(C)c1OCC(=O)[O-] ZINC001610437470 1352222256 /nfs/dbraw/zinc/22/22/56/1352222256.db2.gz CXEXYNSKRBSXFW-UHFFFAOYSA-N -1 1 344.371 2.405 20 0 EEADMM Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc(C)c1OCC(=O)[O-] ZINC001610437470 1352222257 /nfs/dbraw/zinc/22/22/57/1352222257.db2.gz CXEXYNSKRBSXFW-UHFFFAOYSA-N -1 1 344.371 2.405 20 0 EEADMM O=C([O-])[C@H](NCc1ccc(N2CCCC2)nc1)c1cccc(O)c1 ZINC001610720319 1352264605 /nfs/dbraw/zinc/26/46/05/1352264605.db2.gz JLYHVMVULFXWBF-QGZVFWFLSA-N -1 1 327.384 2.303 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC001428364289 1339478334 /nfs/dbraw/zinc/47/83/34/1339478334.db2.gz GEGVBDLNJHIYSU-JTQLQIEISA-N -1 1 347.337 2.000 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@@H]3CCC[C@H]3C2=O)C[C@@H]1c1ccccc1 ZINC001610802780 1352277265 /nfs/dbraw/zinc/27/72/65/1352277265.db2.gz VSBDXUAGMMMXDT-YLFCFFPRSA-N -1 1 328.412 2.003 20 0 EEADMM Cc1ccc(CC(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)o1 ZINC001611201524 1352296451 /nfs/dbraw/zinc/29/64/51/1352296451.db2.gz YQQYBEJJHIWAIM-AWEZNQCLSA-N -1 1 349.753 2.342 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(C)c(F)c1 ZINC001429558691 1339943899 /nfs/dbraw/zinc/94/38/99/1339943899.db2.gz UHUZFWHKUXXCDK-UHFFFAOYSA-N -1 1 345.374 2.127 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)CCC1 ZINC001430327193 1340188492 /nfs/dbraw/zinc/18/84/92/1340188492.db2.gz NJQUUMFUTNOPOC-ZIAGYGMSSA-N -1 1 347.463 2.132 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccccc1 ZINC001430562746 1340257533 /nfs/dbraw/zinc/25/75/33/1340257533.db2.gz JVGPTFHOUALHAK-UKRRQHHQSA-N -1 1 341.411 2.216 20 0 EEADMM CN(C(=O)CC1(C)CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001430912856 1340378165 /nfs/dbraw/zinc/37/81/65/1340378165.db2.gz DCTLRYXAHVZVAH-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM CNc1ccc(C(=O)OCC(=O)c2ccc([O-])cc2O)cc1[N+](=O)[O-] ZINC000016538325 1352354793 /nfs/dbraw/zinc/35/47/93/1352354793.db2.gz NLYGYWNCLYFPJQ-UHFFFAOYSA-N -1 1 346.295 2.087 20 0 EEADMM CN(C[C@@H]1CCN(C(=O)CCC2(C)CC2)C1)C(=O)c1ncccc1[O-] ZINC001432121661 1341218899 /nfs/dbraw/zinc/21/88/99/1341218899.db2.gz QZFXACGNKKWHSO-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cc(F)c1 ZINC001432658933 1341355226 /nfs/dbraw/zinc/35/52/26/1341355226.db2.gz ZIIMKVHPQFNKJH-CQSZACIVSA-N -1 1 345.374 2.173 20 0 EEADMM CC(C)Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nc1 ZINC001574340881 1343673674 /nfs/dbraw/zinc/67/36/74/1343673674.db2.gz ZJRUMFBDUAJULC-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CCCC(=O)N[C@@H]1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577207049 1344106286 /nfs/dbraw/zinc/10/62/86/1344106286.db2.gz SUOBEBNBQABQDL-GHMZBOCLSA-N -1 1 349.464 2.129 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577424790 1344146944 /nfs/dbraw/zinc/14/69/44/1344146944.db2.gz HKPWAQZGBYJTFH-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCOc1ccccc1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001578403934 1344273758 /nfs/dbraw/zinc/27/37/58/1344273758.db2.gz HTKJDTHFHODUMR-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM CCOc1ccccc1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001578403934 1344273763 /nfs/dbraw/zinc/27/37/63/1344273763.db2.gz HTKJDTHFHODUMR-UHFFFAOYSA-N -1 1 345.388 2.044 20 0 EEADMM COc1cccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1C ZINC001580069382 1344463073 /nfs/dbraw/zinc/46/30/73/1344463073.db2.gz GBYCPRXAAWJPAT-UHFFFAOYSA-N -1 1 341.346 2.253 20 0 EEADMM COc1cccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1C ZINC001580069382 1344463080 /nfs/dbraw/zinc/46/30/80/1344463080.db2.gz GBYCPRXAAWJPAT-UHFFFAOYSA-N -1 1 341.346 2.253 20 0 EEADMM CSCc1cccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001580226508 1344494165 /nfs/dbraw/zinc/49/41/65/1344494165.db2.gz WEAWRRRGKSYYRM-UHFFFAOYSA-N -1 1 329.385 2.253 20 0 EEADMM CSCc1cccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001580226508 1344494169 /nfs/dbraw/zinc/49/41/69/1344494169.db2.gz WEAWRRRGKSYYRM-UHFFFAOYSA-N -1 1 329.385 2.253 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)oc1Br ZINC001580887214 1344568981 /nfs/dbraw/zinc/56/89/81/1344568981.db2.gz UMUXIIJYCBTUAB-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)oc1Br ZINC001580887214 1344568984 /nfs/dbraw/zinc/56/89/84/1344568984.db2.gz UMUXIIJYCBTUAB-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC001581210116 1344597554 /nfs/dbraw/zinc/59/75/54/1344597554.db2.gz GSYYWLXEVLQUPP-UHFFFAOYSA-N -1 1 343.412 2.240 20 0 EEADMM Cc1nc([C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)[nH]c1C ZINC001581445978 1344626764 /nfs/dbraw/zinc/62/67/64/1344626764.db2.gz KWKPQGWIEYVWLR-GFCCVEGCSA-N -1 1 341.375 2.085 20 0 EEADMM Cc1nc([C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)[nH]c1C ZINC001581445978 1344626767 /nfs/dbraw/zinc/62/67/67/1344626767.db2.gz KWKPQGWIEYVWLR-GFCCVEGCSA-N -1 1 341.375 2.085 20 0 EEADMM Cc1nc([C@H]2CCCN2Cc2nc(-c3nnn[n-]3)cs2)[nH]c1C ZINC001581445668 1344627126 /nfs/dbraw/zinc/62/71/26/1344627126.db2.gz ALXXJGAZRALALC-LLVKDONJSA-N -1 1 330.421 2.000 20 0 EEADMM Cc1nc([C@H]2CCCN2Cc2nc(-c3nn[n-]n3)cs2)[nH]c1C ZINC001581445668 1344627130 /nfs/dbraw/zinc/62/71/30/1344627130.db2.gz ALXXJGAZRALALC-LLVKDONJSA-N -1 1 330.421 2.000 20 0 EEADMM O=C(NCCc1ccccc1OC(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001582526932 1344758382 /nfs/dbraw/zinc/75/83/82/1344758382.db2.gz DUQPUGSVHRNYCP-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCCc1ccccc1OC(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001582526932 1344758386 /nfs/dbraw/zinc/75/83/86/1344758386.db2.gz DUQPUGSVHRNYCP-UHFFFAOYSA-N -1 1 349.297 2.034 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)c1c([O-])cccc1Cl ZINC001582545365 1344760136 /nfs/dbraw/zinc/76/01/36/1344760136.db2.gz FPJBYJMIJHTHQJ-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1cccc(-c2nnn[n-]2)n1 ZINC001582642794 1344775627 /nfs/dbraw/zinc/77/56/27/1344775627.db2.gz UIQVQTRGSOHHQN-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1cccc(-c2nn[n-]n2)n1 ZINC001582642794 1344775630 /nfs/dbraw/zinc/77/56/30/1344775630.db2.gz UIQVQTRGSOHHQN-UHFFFAOYSA-N -1 1 334.339 2.033 20 0 EEADMM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001585945713 1348830378 /nfs/dbraw/zinc/83/03/78/1348830378.db2.gz NMPRGNYYWVEWCB-UHFFFAOYSA-N -1 1 336.351 2.188 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001588770351 1348933212 /nfs/dbraw/zinc/93/32/12/1348933212.db2.gz KPKQAYWUIXLFHT-PKNBQFBNSA-N -1 1 337.387 2.259 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001588770351 1348933216 /nfs/dbraw/zinc/93/32/16/1348933216.db2.gz KPKQAYWUIXLFHT-PKNBQFBNSA-N -1 1 337.387 2.259 20 0 EEADMM CC(=O)Nc1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ccc1C ZINC001588873364 1348939759 /nfs/dbraw/zinc/93/97/59/1348939759.db2.gz OXUBLSBKQNUJQX-UHFFFAOYSA-N -1 1 342.384 2.447 20 0 EEADMM CC(=O)NCc1ccc(Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001588869959 1348939961 /nfs/dbraw/zinc/93/99/61/1348939961.db2.gz NDVLREYVHOTMMP-UHFFFAOYSA-N -1 1 329.389 2.011 20 0 EEADMM CC(C)(C)c1ncc(NC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001589245316 1348975153 /nfs/dbraw/zinc/97/51/53/1348975153.db2.gz XXMDFBXVLOPKKE-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001589339154 1348985312 /nfs/dbraw/zinc/98/53/12/1348985312.db2.gz SGOHKRPAPAVRLS-UHFFFAOYSA-N -1 1 341.346 2.486 20 0 EEADMM CC(C)(O)c1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001589339154 1348985316 /nfs/dbraw/zinc/98/53/16/1348985316.db2.gz SGOHKRPAPAVRLS-UHFFFAOYSA-N -1 1 341.346 2.486 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1(C)C ZINC001589370470 1348987220 /nfs/dbraw/zinc/98/72/20/1348987220.db2.gz BKVQMALLUXRXNL-CMPLNLGQSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)=C[C@H]1[C@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1(C)C ZINC001589370470 1348987223 /nfs/dbraw/zinc/98/72/23/1348987223.db2.gz BKVQMALLUXRXNL-CMPLNLGQSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1(C)C ZINC001589370473 1348987453 /nfs/dbraw/zinc/98/74/53/1348987453.db2.gz BKVQMALLUXRXNL-ZYHUDNBSSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1(C)C ZINC001589370473 1348987455 /nfs/dbraw/zinc/98/74/55/1348987455.db2.gz BKVQMALLUXRXNL-ZYHUDNBSSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589550750 1349004040 /nfs/dbraw/zinc/00/40/40/1349004040.db2.gz OTIPESBMVLXMOL-JTQLQIEISA-N -1 1 347.423 2.247 20 0 EEADMM CC(C)N(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC(C)(C)C1 ZINC001589672690 1349018809 /nfs/dbraw/zinc/01/88/09/1349018809.db2.gz ACOJAVJPCZGJJE-UHFFFAOYSA-N -1 1 328.420 2.230 20 0 EEADMM CC(C)N(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC(C)(C)C1 ZINC001589672690 1349018817 /nfs/dbraw/zinc/01/88/17/1349018817.db2.gz ACOJAVJPCZGJJE-UHFFFAOYSA-N -1 1 328.420 2.230 20 0 EEADMM CC(C)c1cc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)on1 ZINC001589766872 1349033754 /nfs/dbraw/zinc/03/37/54/1349033754.db2.gz GBKIVKFNJHHNLR-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM CC(C)c1cc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)on1 ZINC001589766872 1349033760 /nfs/dbraw/zinc/03/37/60/1349033760.db2.gz GBKIVKFNJHHNLR-UHFFFAOYSA-N -1 1 348.313 2.186 20 0 EEADMM C[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001589792507 1349043800 /nfs/dbraw/zinc/04/38/00/1349043800.db2.gz CTCAGXMAGOZUDG-GFCCVEGCSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001589792507 1349043802 /nfs/dbraw/zinc/04/38/02/1349043802.db2.gz CTCAGXMAGOZUDG-GFCCVEGCSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589974432 1349087525 /nfs/dbraw/zinc/08/75/25/1349087525.db2.gz OOZZPULPLJBCEC-SNVBAGLBSA-N -1 1 349.441 2.109 20 0 EEADMM C[C@@H](Nc1cccnc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC001589985846 1349093804 /nfs/dbraw/zinc/09/38/04/1349093804.db2.gz SHQITRMXHQUUEQ-WYVULQQZSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@@H](Nc1cccnc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC001589985846 1349093809 /nfs/dbraw/zinc/09/38/09/1349093809.db2.gz SHQITRMXHQUUEQ-WYVULQQZSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CCCc2ccccc21 ZINC001590070493 1349136928 /nfs/dbraw/zinc/13/69/28/1349136928.db2.gz AHKSENIWKNGUIQ-SFHVURJKSA-N -1 1 334.383 2.494 20 0 EEADMM C[C@]1(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCCc2ccccc21 ZINC001590070493 1349136931 /nfs/dbraw/zinc/13/69/31/1349136931.db2.gz AHKSENIWKNGUIQ-SFHVURJKSA-N -1 1 334.383 2.494 20 0 EEADMM CC1(c2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)no2)CCCC1 ZINC001590153406 1349176289 /nfs/dbraw/zinc/17/62/89/1349176289.db2.gz UXPNVFQALAZRQB-UHFFFAOYSA-N -1 1 339.359 2.334 20 0 EEADMM CC1(c2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)no2)CCCC1 ZINC001590153406 1349176297 /nfs/dbraw/zinc/17/62/97/1349176297.db2.gz UXPNVFQALAZRQB-UHFFFAOYSA-N -1 1 339.359 2.334 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)o1 ZINC001590221310 1349207987 /nfs/dbraw/zinc/20/79/87/1349207987.db2.gz UCSFMSFBXRNFJF-MWLCHTKSSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)o1 ZINC001590221310 1349207990 /nfs/dbraw/zinc/20/79/90/1349207990.db2.gz UCSFMSFBXRNFJF-MWLCHTKSSA-N -1 1 339.359 2.300 20 0 EEADMM C[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1c1cccc(F)c1 ZINC001590274698 1349243499 /nfs/dbraw/zinc/24/34/99/1349243499.db2.gz OLZASHRGBSBXKA-BONVTDFDSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1c1cccc(F)c1 ZINC001590274698 1349243502 /nfs/dbraw/zinc/24/35/02/1349243502.db2.gz OLZASHRGBSBXKA-BONVTDFDSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC2(CCC2)O1 ZINC001590316389 1349261467 /nfs/dbraw/zinc/26/14/67/1349261467.db2.gz LMPTZUUFJRQSIP-SSDOTTSWSA-N -1 1 326.813 2.124 20 0 EEADMM CC[C@H](C)CCC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001590403340 1349306428 /nfs/dbraw/zinc/30/64/28/1349306428.db2.gz CCKINOMYVCOKQG-LBPRGKRZSA-N -1 1 348.476 2.403 20 0 EEADMM CC[C@H](CNc1nc(-c2nn[n-]n2)ccc1C)NC(=O)OC(C)(C)C ZINC001590447046 1349329597 /nfs/dbraw/zinc/32/95/97/1349329597.db2.gz XFDWPGIUDGAYGH-LLVKDONJSA-N -1 1 347.423 2.285 20 0 EEADMM CC[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001590459029 1349335814 /nfs/dbraw/zinc/33/58/14/1349335814.db2.gz FICMQEPQCPDXRK-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001590459029 1349335817 /nfs/dbraw/zinc/33/58/17/1349335817.db2.gz FICMQEPQCPDXRK-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC001590460206 1349337177 /nfs/dbraw/zinc/33/71/77/1349337177.db2.gz YURSACAVZDZFTQ-CYBMUJFWSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC001590460206 1349337191 /nfs/dbraw/zinc/33/71/91/1349337191.db2.gz YURSACAVZDZFTQ-CYBMUJFWSA-N -1 1 338.371 2.151 20 0 EEADMM CCC1(NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001590498362 1349356563 /nfs/dbraw/zinc/35/65/63/1349356563.db2.gz RPSFBEJLGLYLJS-UHFFFAOYSA-N -1 1 327.801 2.431 20 0 EEADMM CCc1nc(Nc2cc(OC)c(OC)cc2C)cc(-c2nnn[n-]2)n1 ZINC001590923443 1349413653 /nfs/dbraw/zinc/41/36/53/1349413653.db2.gz HJOKMMNOTODPHK-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM CCc1nc(Nc2cc(OC)c(OC)cc2C)cc(-c2nn[n-]n2)n1 ZINC001590923443 1349413661 /nfs/dbraw/zinc/41/36/61/1349413661.db2.gz HJOKMMNOTODPHK-UHFFFAOYSA-N -1 1 341.375 2.288 20 0 EEADMM COC(=O)N(C)c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001591272364 1349454991 /nfs/dbraw/zinc/45/49/91/1349454991.db2.gz GKJCYBFZQBVNOP-UHFFFAOYSA-N -1 1 345.388 2.138 20 0 EEADMM COC(=O)N(C)c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001591272364 1349455006 /nfs/dbraw/zinc/45/50/06/1349455006.db2.gz GKJCYBFZQBVNOP-UHFFFAOYSA-N -1 1 345.388 2.138 20 0 EEADMM COc1ccc(C=O)cc1CSc1cccnc1-c1nnn[n-]1 ZINC001591582251 1349509453 /nfs/dbraw/zinc/50/94/53/1349509453.db2.gz BWLINPQOYUXFQS-UHFFFAOYSA-N -1 1 327.369 2.375 20 0 EEADMM COc1ccc(C=O)cc1CSc1cccnc1-c1nn[n-]n1 ZINC001591582251 1349509455 /nfs/dbraw/zinc/50/94/55/1349509455.db2.gz BWLINPQOYUXFQS-UHFFFAOYSA-N -1 1 327.369 2.375 20 0 EEADMM COc1ccccc1[C@H](C)N(Cc1nc(-c2nnn[n-]2)cs1)OC ZINC001591646158 1349522779 /nfs/dbraw/zinc/52/27/79/1349522779.db2.gz BAUSSTFZTDTEBO-JTQLQIEISA-N -1 1 346.416 2.456 20 0 EEADMM COc1ccccc1[C@H](C)N(Cc1nc(-c2nn[n-]n2)cs1)OC ZINC001591646158 1349522786 /nfs/dbraw/zinc/52/27/86/1349522786.db2.gz BAUSSTFZTDTEBO-JTQLQIEISA-N -1 1 346.416 2.456 20 0 EEADMM Cc1cc(N(C)Cc2cnn(-c3ccccc3)c2)cc(-c2nnn[n-]2)n1 ZINC001591998684 1349580707 /nfs/dbraw/zinc/58/07/07/1349580707.db2.gz IETQAOUHVYNXEA-UHFFFAOYSA-N -1 1 346.398 2.392 20 0 EEADMM Cc1cc(N(C)Cc2cnn(-c3ccccc3)c2)cc(-c2nn[n-]n2)n1 ZINC001591998684 1349580722 /nfs/dbraw/zinc/58/07/22/1349580722.db2.gz IETQAOUHVYNXEA-UHFFFAOYSA-N -1 1 346.398 2.392 20 0 EEADMM Cc1cc(N[C@H](C)c2ccc([S@](C)=O)cc2)nc(-c2nnn[n-]2)c1 ZINC001592034816 1349586243 /nfs/dbraw/zinc/58/62/43/1349586243.db2.gz NXIGRBPQMGTNNU-JNDILOIQSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1cc(N[C@H](C)c2ccc([S@](C)=O)cc2)nc(-c2nn[n-]n2)c1 ZINC001592034816 1349586246 /nfs/dbraw/zinc/58/62/46/1349586246.db2.gz NXIGRBPQMGTNNU-JNDILOIQSA-N -1 1 342.428 2.481 20 0 EEADMM Cc1ccc2c(c1)CCCN2Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001592199879 1349607144 /nfs/dbraw/zinc/60/71/44/1349607144.db2.gz BWDPMXACAOIGGC-UHFFFAOYSA-N -1 1 346.398 2.171 20 0 EEADMM Cc1ccc2c(c1)CCCN2Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001592199879 1349607149 /nfs/dbraw/zinc/60/71/49/1349607149.db2.gz BWDPMXACAOIGGC-UHFFFAOYSA-N -1 1 346.398 2.171 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C)c2)c1 ZINC001592235361 1349613332 /nfs/dbraw/zinc/61/33/32/1349613332.db2.gz KLRZGYVMPITVNV-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1csc([C@@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C2CC2)n1 ZINC001592314114 1349620141 /nfs/dbraw/zinc/62/01/41/1349620141.db2.gz ZUWVCNUPLATDEC-LBPRGKRZSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1csc([C@@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C2CC2)n1 ZINC001592314114 1349620144 /nfs/dbraw/zinc/62/01/44/1349620144.db2.gz ZUWVCNUPLATDEC-LBPRGKRZSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1 ZINC001592341376 1349623033 /nfs/dbraw/zinc/62/30/33/1349623033.db2.gz RHGGCKOHFLOPSE-QMMMGPOBSA-N -1 1 343.341 2.367 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCc3c(F)cc(F)cc3[C@@H]2C)n1 ZINC001592341376 1349623034 /nfs/dbraw/zinc/62/30/34/1349623034.db2.gz RHGGCKOHFLOPSE-QMMMGPOBSA-N -1 1 343.341 2.367 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001592427022 1349629401 /nfs/dbraw/zinc/62/94/01/1349629401.db2.gz IMXVWLWQHMEHHT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001592427022 1349629404 /nfs/dbraw/zinc/62/94/04/1349629404.db2.gz IMXVWLWQHMEHHT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC001592479817 1349635955 /nfs/dbraw/zinc/63/59/55/1349635955.db2.gz QIURQUSAKBSXGM-JTQLQIEISA-N -1 1 342.384 2.136 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC001592479817 1349635956 /nfs/dbraw/zinc/63/59/56/1349635956.db2.gz QIURQUSAKBSXGM-JTQLQIEISA-N -1 1 342.384 2.136 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001592502012 1349638258 /nfs/dbraw/zinc/63/82/58/1349638258.db2.gz KDLOUEWHELUMBX-CYBMUJFWSA-N -1 1 327.319 2.325 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001592502012 1349638260 /nfs/dbraw/zinc/63/82/60/1349638260.db2.gz KDLOUEWHELUMBX-CYBMUJFWSA-N -1 1 327.319 2.325 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001592536372 1349651210 /nfs/dbraw/zinc/65/12/10/1349651210.db2.gz VBJYSMNFHGTHJC-FZZIBODNSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001592536372 1349651211 /nfs/dbraw/zinc/65/12/11/1349651211.db2.gz VBJYSMNFHGTHJC-FZZIBODNSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1nsc(NC[C@H]2Cc3ccccc3O2)c1-c1nnn[n-]1 ZINC001592541612 1349654213 /nfs/dbraw/zinc/65/42/13/1349654213.db2.gz GXYCPRQPABHZMG-MRVPVSSYSA-N -1 1 334.792 2.392 20 0 EEADMM Clc1nsc(NC[C@H]2Cc3ccccc3O2)c1-c1nn[n-]n1 ZINC001592541612 1349654214 /nfs/dbraw/zinc/65/42/14/1349654214.db2.gz GXYCPRQPABHZMG-MRVPVSSYSA-N -1 1 334.792 2.392 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)C2=CCCCC2)n1 ZINC001592559807 1349657561 /nfs/dbraw/zinc/65/75/61/1349657561.db2.gz JYTLCOHTEXPBOB-UHFFFAOYSA-N -1 1 344.423 2.248 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)C2=CCCCC2)n1 ZINC001592559807 1349657563 /nfs/dbraw/zinc/65/75/63/1349657563.db2.gz JYTLCOHTEXPBOB-UHFFFAOYSA-N -1 1 344.423 2.248 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592659138 1349702859 /nfs/dbraw/zinc/70/28/59/1349702859.db2.gz SVNZSIQCRLKIQB-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001592995935 1349732351 /nfs/dbraw/zinc/73/23/51/1349732351.db2.gz FREUEMRAXNYPJU-GFCCVEGCSA-N -1 1 329.360 2.485 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N(CC1CC1)C1CCC1 ZINC001593137810 1349740079 /nfs/dbraw/zinc/74/00/79/1349740079.db2.gz VJFRUIQBBNORGI-UHFFFAOYSA-N -1 1 332.433 2.402 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593192224 1349745192 /nfs/dbraw/zinc/74/51/92/1349745192.db2.gz CUGRAEXVKWOMRJ-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593192224 1349745196 /nfs/dbraw/zinc/74/51/96/1349745196.db2.gz CUGRAEXVKWOMRJ-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001593259757 1349753930 /nfs/dbraw/zinc/75/39/30/1349753930.db2.gz GOFCCMGGCLVVPI-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC2(CCC2)C1 ZINC001593263806 1349755114 /nfs/dbraw/zinc/75/51/14/1349755114.db2.gz YGIVAAMHKRKZSG-UHFFFAOYSA-N -1 1 339.812 2.385 20 0 EEADMM O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593281895 1349760663 /nfs/dbraw/zinc/76/06/63/1349760663.db2.gz MQDLTXFPZVJVEK-RCOVLWMOSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@@H]([C@H]1CCOC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593281895 1349760668 /nfs/dbraw/zinc/76/06/68/1349760668.db2.gz MQDLTXFPZVJVEK-RCOVLWMOSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593282529 1349761044 /nfs/dbraw/zinc/76/10/44/1349761044.db2.gz XVEFFNCAIFSWFR-CYZMBNFOSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593282529 1349761048 /nfs/dbraw/zinc/76/10/48/1349761048.db2.gz XVEFFNCAIFSWFR-CYZMBNFOSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(Cc1ccccc1F)C1CC1 ZINC001593347790 1349787554 /nfs/dbraw/zinc/78/75/54/1349787554.db2.gz GPYFQILKDIPDAC-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(Cc1ccccc1F)C1CC1 ZINC001593347790 1349787558 /nfs/dbraw/zinc/78/75/58/1349787558.db2.gz GPYFQILKDIPDAC-UHFFFAOYSA-N -1 1 338.346 2.206 20 0 EEADMM O[C@H](CNc1cccnc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC001593505500 1349823102 /nfs/dbraw/zinc/82/31/02/1349823102.db2.gz ABXMPTVMBRCNBM-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@H](CNc1cccnc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001593505500 1349823107 /nfs/dbraw/zinc/82/31/07/1349823107.db2.gz ABXMPTVMBRCNBM-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM c1ccc2c(c1)CO[C@H]2CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593580324 1349862007 /nfs/dbraw/zinc/86/20/07/1349862007.db2.gz UBBRJRJUARIAAE-AWEZNQCLSA-N -1 1 335.371 2.218 20 0 EEADMM c1ccc2c(c1)CO[C@H]2CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593580324 1349862011 /nfs/dbraw/zinc/86/20/11/1349862011.db2.gz UBBRJRJUARIAAE-AWEZNQCLSA-N -1 1 335.371 2.218 20 0 EEADMM Cc1c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001600037750 1349959901 /nfs/dbraw/zinc/95/99/01/1349959901.db2.gz XEXBJCUAMYLXLO-LBPRGKRZSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cc(C)cc(C=O)c1O ZINC001600185282 1349987813 /nfs/dbraw/zinc/98/78/13/1349987813.db2.gz ICWJYQSMZOEIIU-UHFFFAOYSA-N -1 1 345.355 2.053 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n[nH]1 ZINC001600189291 1349988585 /nfs/dbraw/zinc/98/85/85/1349988585.db2.gz MGAIUORRYYALIP-SECBINFHSA-N -1 1 334.351 2.237 20 0 EEADMM Cc1cc(NC(=O)N2CCc3sc(CN)nc3C2)cc(C(=O)[O-])c1 ZINC001600264245 1350006252 /nfs/dbraw/zinc/00/62/52/1350006252.db2.gz DVWYOPPTQKKLMA-UHFFFAOYSA-N -1 1 346.412 2.199 20 0 EEADMM Cc1cc2c(cc1NS(=O)(=O)c1ccsc1C(=O)[O-])OCO2 ZINC001600307569 1350016561 /nfs/dbraw/zinc/01/65/61/1350016561.db2.gz QYHXKJRZGJKEBR-UHFFFAOYSA-N -1 1 341.366 2.284 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)/C=C/C(=O)[O-])n2)cc1 ZINC001600320029 1350019067 /nfs/dbraw/zinc/01/90/67/1350019067.db2.gz PTZNZMLXDNXNSI-BWNDKRECSA-N -1 1 346.412 2.018 20 0 EEADMM Cc1ccc([C@@H](N)C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001600380354 1350035297 /nfs/dbraw/zinc/03/52/97/1350035297.db2.gz HPZVJIOOZCXQMI-HZPDHXFCSA-N -1 1 330.359 2.119 20 0 EEADMM Cc1cccc(C(=O)NCCNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001600511971 1350070145 /nfs/dbraw/zinc/07/01/45/1350070145.db2.gz MMKPELCLROCIMU-UHFFFAOYSA-N -1 1 330.359 2.352 20 0 EEADMM Cc1cnn([C@@H]2CCN(Cn3ncc4c3ccc(C)c4C(=O)[O-])C2)c1 ZINC001600637685 1350103842 /nfs/dbraw/zinc/10/38/42/1350103842.db2.gz UWGJDJVMXOSERU-CQSZACIVSA-N -1 1 339.399 2.452 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001600675864 1350115026 /nfs/dbraw/zinc/11/50/26/1350115026.db2.gz UDECYDKNTPMTBO-CYBMUJFWSA-N -1 1 330.388 2.356 20 0 EEADMM O=C([O-])c1ccc(CNCCNC(=O)Cc2cccc(F)c2)c(F)c1 ZINC001601364510 1350267325 /nfs/dbraw/zinc/26/73/25/1350267325.db2.gz AVKWRCLYVCSTHG-UHFFFAOYSA-N -1 1 348.349 2.112 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCCC1 ZINC001601394167 1350272896 /nfs/dbraw/zinc/27/28/96/1350272896.db2.gz QBAWLOMSWLBKCM-AWEZNQCLSA-N -1 1 328.372 2.235 20 0 EEADMM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCN2Cc2ccccc2)nc1 ZINC001601486954 1350293838 /nfs/dbraw/zinc/29/38/38/1350293838.db2.gz VCWRWCHGJBSWJH-OAHLLOKOSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cc(-n4cccn4)ccn3)[nH]c21 ZINC001601631922 1350324500 /nfs/dbraw/zinc/32/45/00/1350324500.db2.gz CVCNMUPAASWRDP-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@H]1CCN1C1CCCC1)c1ccc(F)cc1 ZINC001601651956 1350328746 /nfs/dbraw/zinc/32/87/46/1350328746.db2.gz LTHSXCMKKZWRBY-HZPDHXFCSA-N -1 1 334.391 2.127 20 0 EEADMM O=C([O-])[C@]1(C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1c1ccccc1 ZINC001601701430 1350342679 /nfs/dbraw/zinc/34/26/79/1350342679.db2.gz NTKUSGOMLPICEI-AUUYWEPGSA-N -1 1 335.363 2.438 20 0 EEADMM O=C([O-])C1=CC[C@H](NCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC001601740673 1350352470 /nfs/dbraw/zinc/35/24/70/1350352470.db2.gz PIPONPFGWLBDMY-JTQLQIEISA-N -1 1 336.754 2.323 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001601746985 1350354341 /nfs/dbraw/zinc/35/43/41/1350354341.db2.gz VPZBUYVKGWTGCD-QGZVFWFLSA-N -1 1 344.346 2.021 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CC3(CCOCC3)[C@H]2c2ccco2)C1(F)F ZINC001601752068 1350356472 /nfs/dbraw/zinc/35/64/72/1350356472.db2.gz RXKXSJMKGDJADN-WCFLWFBJSA-N -1 1 327.327 2.399 20 0 EEADMM O=C([O-])/C=C/c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)o1 ZINC001601879086 1350388711 /nfs/dbraw/zinc/38/87/11/1350388711.db2.gz FNMYTXLEGAMZIU-MYSGNRETSA-N -1 1 332.400 2.354 20 0 EEADMM O=C([O-])CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)[O-] ZINC001602006165 1350417206 /nfs/dbraw/zinc/41/72/06/1350417206.db2.gz JLTIFEIWHSJBAB-UHFFFAOYSA-N -1 1 344.367 2.030 20 0 EEADMM O=C([O-])CN1CCN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC1 ZINC001602063190 1350430228 /nfs/dbraw/zinc/43/02/28/1350430228.db2.gz JXFDQYXEXSKIPW-VURMDHGXSA-N -1 1 342.370 2.221 20 0 EEADMM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC001602110273 1350440819 /nfs/dbraw/zinc/44/08/19/1350440819.db2.gz BKPONKKHAOUTQD-ILXRZTDVSA-N -1 1 349.431 2.359 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)[C@H]2NCCc3ccccc32)cc1F ZINC001602122896 1350444874 /nfs/dbraw/zinc/44/48/74/1350444874.db2.gz HOIPUBVGEWCGTK-KRWDZBQOSA-N -1 1 328.343 2.278 20 0 EEADMM O=C([O-])c1cc(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)on1 ZINC001602257578 1350478988 /nfs/dbraw/zinc/47/89/88/1350478988.db2.gz ZNYUFHCLIZGKTP-UHFFFAOYSA-N -1 1 344.293 2.494 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC001602436314 1350519386 /nfs/dbraw/zinc/51/93/86/1350519386.db2.gz ADXNXFLPSCONND-UHFFFAOYSA-N -1 1 331.416 2.004 20 0 EEADMM O=C([O-])c1cnc([C@@H]2CCN(Cc3cnc(C4CC4)nc3)C2)s1 ZINC001602519034 1350537060 /nfs/dbraw/zinc/53/70/60/1350537060.db2.gz VQQWXQKSQJUVNC-GFCCVEGCSA-N -1 1 330.413 2.498 20 0 EEADMM O=C([O-])c1coc(C(=O)CSc2nc(-c3ccccc3O)n[nH]2)c1 ZINC001602548426 1350543720 /nfs/dbraw/zinc/54/37/20/1350543720.db2.gz QUKJFOMLIROTKP-UHFFFAOYSA-N -1 1 345.336 2.444 20 0 EEADMM O=C([O-])c1nc(CNC(=O)c2cccc3nc[nH]c32)ccc1Cl ZINC001602568954 1350549109 /nfs/dbraw/zinc/54/91/09/1350549109.db2.gz MGXZJYYNRQNFAZ-UHFFFAOYSA-N -1 1 330.731 2.240 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001602977120 1350616619 /nfs/dbraw/zinc/61/66/19/1350616619.db2.gz DHWHWDBKULRCOT-UHFFFAOYSA-N -1 1 325.303 2.461 20 0 EEADMM CC(=O)c1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001602977120 1350616622 /nfs/dbraw/zinc/61/66/22/1350616622.db2.gz DHWHWDBKULRCOT-UHFFFAOYSA-N -1 1 325.303 2.461 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001603101551 1350640307 /nfs/dbraw/zinc/64/03/07/1350640307.db2.gz WXAFUYOWKDOWIT-VXGBXAGGSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001603101551 1350640313 /nfs/dbraw/zinc/64/03/13/1350640313.db2.gz WXAFUYOWKDOWIT-VXGBXAGGSA-N -1 1 329.408 2.195 20 0 EEADMM CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001603123577 1350645147 /nfs/dbraw/zinc/64/51/47/1350645147.db2.gz SOVPCODRLHMICH-UGSOOPFHSA-N -1 1 330.384 2.014 20 0 EEADMM CC(C)(F)COC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001603158197 1350652886 /nfs/dbraw/zinc/65/28/86/1350652886.db2.gz UXEVCOVPBPLXJA-UHFFFAOYSA-N -1 1 333.245 2.185 20 0 EEADMM CC(C)[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC001603231971 1350666778 /nfs/dbraw/zinc/66/67/78/1350666778.db2.gz DXZHFLXMDWFGJC-MRXNPFEDSA-N -1 1 338.371 2.140 20 0 EEADMM CC(C)[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC001603231971 1350666786 /nfs/dbraw/zinc/66/67/86/1350666786.db2.gz DXZHFLXMDWFGJC-MRXNPFEDSA-N -1 1 338.371 2.140 20 0 EEADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC001603558327 1350719990 /nfs/dbraw/zinc/71/99/90/1350719990.db2.gz LKGYRSJICUWFGR-SECBINFHSA-N -1 1 349.320 2.313 20 0 EEADMM C[C@@]1(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC001603813633 1350774426 /nfs/dbraw/zinc/77/44/26/1350774426.db2.gz NAWOHJQWHVRCJV-LJQANCHMSA-N -1 1 348.410 2.172 20 0 EEADMM C[C@@]1(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC001603813633 1350774429 /nfs/dbraw/zinc/77/44/29/1350774429.db2.gz NAWOHJQWHVRCJV-LJQANCHMSA-N -1 1 348.410 2.172 20 0 EEADMM C[C@@]12CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@@H]1C2(F)F ZINC001603824993 1350777039 /nfs/dbraw/zinc/77/70/39/1350777039.db2.gz JHAYCHDLDGDGCO-IINYFYTJSA-N -1 1 333.346 2.016 20 0 EEADMM C[C@@]12CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@@H]1C2(F)F ZINC001603824993 1350777042 /nfs/dbraw/zinc/77/70/42/1350777042.db2.gz JHAYCHDLDGDGCO-IINYFYTJSA-N -1 1 333.346 2.016 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603830949 1350778415 /nfs/dbraw/zinc/77/84/15/1350778415.db2.gz RIMPLHKDBZWWAR-JGVFFNPUSA-N -1 1 341.297 2.066 20 0 EEADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603830949 1350778419 /nfs/dbraw/zinc/77/84/19/1350778419.db2.gz RIMPLHKDBZWWAR-JGVFFNPUSA-N -1 1 341.297 2.066 20 0 EEADMM CC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC001603978531 1350817866 /nfs/dbraw/zinc/81/78/66/1350817866.db2.gz FQJMTMNIXBOTEP-ZDUSSCGKSA-N -1 1 338.371 2.403 20 0 EEADMM CC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC001603978531 1350817870 /nfs/dbraw/zinc/81/78/70/1350817870.db2.gz FQJMTMNIXBOTEP-ZDUSSCGKSA-N -1 1 338.371 2.403 20 0 EEADMM CC[C@H](CC(F)F)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001604014667 1350829990 /nfs/dbraw/zinc/82/99/90/1350829990.db2.gz BOZPZRBORCZZLQ-SSDOTTSWSA-N -1 1 330.364 2.276 20 0 EEADMM CC[C@H](CC(F)F)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001604014667 1350829994 /nfs/dbraw/zinc/82/99/94/1350829994.db2.gz BOZPZRBORCZZLQ-SSDOTTSWSA-N -1 1 330.364 2.276 20 0 EEADMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1ccc(Cl)nc1)c1ccncc1 ZINC001604088053 1350852443 /nfs/dbraw/zinc/85/24/43/1350852443.db2.gz LOCXDZHVHOKQHE-INIZCTEOSA-N -1 1 348.790 2.048 20 0 EEADMM CC[C@H]1CCCC[C@H]1OCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604102631 1350858354 /nfs/dbraw/zinc/85/83/54/1350858354.db2.gz FWUNOLDBGZFNKF-GXTWGEPZSA-N -1 1 345.403 2.290 20 0 EEADMM CC[C@H]1CCCC[C@H]1OCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604102631 1350858360 /nfs/dbraw/zinc/85/83/60/1350858360.db2.gz FWUNOLDBGZFNKF-GXTWGEPZSA-N -1 1 345.403 2.290 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001604102635 1350858383 /nfs/dbraw/zinc/85/83/83/1350858383.db2.gz FWUNOLDBGZFNKF-OCCSQVGLSA-N -1 1 345.403 2.290 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001604102635 1350858385 /nfs/dbraw/zinc/85/83/85/1350858385.db2.gz FWUNOLDBGZFNKF-OCCSQVGLSA-N -1 1 345.403 2.290 20 0 EEADMM CCCC1(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCC1 ZINC001604152590 1350875442 /nfs/dbraw/zinc/87/54/42/1350875442.db2.gz GEFPPMLDOUKDDV-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM CCCCN(CCCC)C(=O)Cn1c(C)c(C)nc1-c1nnn[n-]1 ZINC001604182134 1350886811 /nfs/dbraw/zinc/88/68/11/1350886811.db2.gz DGMPFLZUCLNNQY-UHFFFAOYSA-N -1 1 333.440 2.109 20 0 EEADMM CCCCN(CCCC)C(=O)Cn1c(C)c(C)nc1-c1nn[n-]n1 ZINC001604182134 1350886814 /nfs/dbraw/zinc/88/68/14/1350886814.db2.gz DGMPFLZUCLNNQY-UHFFFAOYSA-N -1 1 333.440 2.109 20 0 EEADMM CCCCO[C@H]1C[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001604187543 1350888077 /nfs/dbraw/zinc/88/80/77/1350888077.db2.gz NEGYKRMFOJJYAM-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@H]1C[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001604187543 1350888081 /nfs/dbraw/zinc/88/80/81/1350888081.db2.gz NEGYKRMFOJJYAM-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001604200631 1350891663 /nfs/dbraw/zinc/89/16/63/1350891663.db2.gz QPOVATONMMWGDO-UHFFFAOYSA-N -1 1 343.478 2.126 20 0 EEADMM CCCN(CCc1ccccn1)c1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001604213146 1350894238 /nfs/dbraw/zinc/89/42/38/1350894238.db2.gz LUNYRGCNNPBSOY-UHFFFAOYSA-N -1 1 338.419 2.073 20 0 EEADMM CCCN(CCc1ccccn1)c1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001604213146 1350894243 /nfs/dbraw/zinc/89/42/43/1350894243.db2.gz LUNYRGCNNPBSOY-UHFFFAOYSA-N -1 1 338.419 2.073 20 0 EEADMM CCCN(Cc1ccc(OC)cc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001604216153 1350895261 /nfs/dbraw/zinc/89/52/61/1350895261.db2.gz YODGXTSXTCOLSY-UHFFFAOYSA-N -1 1 325.376 2.082 20 0 EEADMM CCCN(Cc1ccc(OC)cc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001604216153 1350895264 /nfs/dbraw/zinc/89/52/64/1350895264.db2.gz YODGXTSXTCOLSY-UHFFFAOYSA-N -1 1 325.376 2.082 20 0 EEADMM CCN(CCOc1ccccc1OC)c1ccnc(-c2nnn[n-]2)c1 ZINC001604318872 1350914213 /nfs/dbraw/zinc/91/42/13/1350914213.db2.gz KIEUKODTYNOIGW-UHFFFAOYSA-N -1 1 340.387 2.176 20 0 EEADMM CCN(CCOc1ccccc1OC)c1ccnc(-c2nn[n-]n2)c1 ZINC001604318872 1350914216 /nfs/dbraw/zinc/91/42/16/1350914216.db2.gz KIEUKODTYNOIGW-UHFFFAOYSA-N -1 1 340.387 2.176 20 0 EEADMM C[C@@H](NC(=O)c1cncc2nc[nH]c21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604316630 1350914445 /nfs/dbraw/zinc/91/44/45/1350914445.db2.gz PSRMIYUPWUMALM-DGCLKSJQSA-N -1 1 338.367 2.020 20 0 EEADMM CCOC(=O)c1cnn(CCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001604390324 1350927960 /nfs/dbraw/zinc/92/79/60/1350927960.db2.gz HDKVSVBXJJHAPD-UHFFFAOYSA-N -1 1 346.778 2.136 20 0 EEADMM CCOc1ccc(CCNc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001604458908 1350942047 /nfs/dbraw/zinc/94/20/47/1350942047.db2.gz HQYZOJGNYYYWED-UHFFFAOYSA-N -1 1 325.376 2.018 20 0 EEADMM CCOc1ccc(CCNc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001604458908 1350942049 /nfs/dbraw/zinc/94/20/49/1350942049.db2.gz HQYZOJGNYYYWED-UHFFFAOYSA-N -1 1 325.376 2.018 20 0 EEADMM CC1(C)CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)C[C@]2(CCOC2)O1 ZINC001604544872 1350958175 /nfs/dbraw/zinc/95/81/75/1350958175.db2.gz IJOUHPCEGJIPLR-SFHVURJKSA-N -1 1 334.416 2.360 20 0 EEADMM CCn1nc(C)c(CN(C)c2ccc(C)c(-c3nnn[n-]3)n2)c1C ZINC001604617129 1350970775 /nfs/dbraw/zinc/97/07/75/1350970775.db2.gz JQYVVVABEXEULL-UHFFFAOYSA-N -1 1 326.408 2.040 20 0 EEADMM CCn1nc(C)c(CN(C)c2ccc(C)c(-c3nn[n-]n3)n2)c1C ZINC001604617129 1350970776 /nfs/dbraw/zinc/97/07/76/1350970776.db2.gz JQYVVVABEXEULL-UHFFFAOYSA-N -1 1 326.408 2.040 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1nc2ccccc2s1 ZINC001604658004 1350979127 /nfs/dbraw/zinc/97/91/27/1350979127.db2.gz HAVCEKPYDNBULY-UHFFFAOYSA-N -1 1 326.341 2.346 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCN(Cc3cncc(C(=O)[O-])c3)CC2)C1 ZINC001604734587 1350994042 /nfs/dbraw/zinc/99/40/42/1350994042.db2.gz VGIAFEOUXSCRGO-CQSZACIVSA-N -1 1 345.443 2.250 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001604791497 1351005696 /nfs/dbraw/zinc/00/56/96/1351005696.db2.gz YCPIZGGVKKDGGG-BLLLJJGKSA-N -1 1 349.406 2.003 20 0 EEADMM COC(=O)c1ccc(NCC(F)(F)C(C)(C)C)c(-c2nnn[n-]2)n1 ZINC001604975265 1351042754 /nfs/dbraw/zinc/04/27/54/1351042754.db2.gz QCMPIIAJZBQUIO-UHFFFAOYSA-N -1 1 340.334 2.142 20 0 EEADMM COC(=O)c1ccc(NCC(F)(F)C(C)(C)C)c(-c2nn[n-]n2)n1 ZINC001604975265 1351042757 /nfs/dbraw/zinc/04/27/57/1351042757.db2.gz QCMPIIAJZBQUIO-UHFFFAOYSA-N -1 1 340.334 2.142 20 0 EEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001605014581 1351054835 /nfs/dbraw/zinc/05/48/35/1351054835.db2.gz VRMVVPXLVYJCED-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001605014581 1351054837 /nfs/dbraw/zinc/05/48/37/1351054837.db2.gz VRMVVPXLVYJCED-XPTSAGLGSA-N -1 1 345.794 2.498 20 0 EEADMM CO[C@H]1CC[C@@H](Nc2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001605029891 1351061348 /nfs/dbraw/zinc/06/13/48/1351061348.db2.gz OYKQMJCTSMQMIP-BDAKNGLRSA-N -1 1 339.197 2.004 20 0 EEADMM CO[C@H]1CC[C@@H](Nc2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001605029891 1351061352 /nfs/dbraw/zinc/06/13/52/1351061352.db2.gz OYKQMJCTSMQMIP-BDAKNGLRSA-N -1 1 339.197 2.004 20 0 EEADMM COC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(F)cc1 ZINC001605057996 1351068577 /nfs/dbraw/zinc/06/85/77/1351068577.db2.gz SHSHOVBLTOOHNA-ZDUSSCGKSA-N -1 1 345.334 2.025 20 0 EEADMM COC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(F)cc1 ZINC001605057996 1351068580 /nfs/dbraw/zinc/06/85/80/1351068580.db2.gz SHSHOVBLTOOHNA-ZDUSSCGKSA-N -1 1 345.334 2.025 20 0 EEADMM COCCOc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001605118279 1351081327 /nfs/dbraw/zinc/08/13/27/1351081327.db2.gz RGKOIIALURUINM-UHFFFAOYSA-N -1 1 345.384 2.206 20 0 EEADMM COc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC001605299024 1351129152 /nfs/dbraw/zinc/12/91/52/1351129152.db2.gz VCWIODIFDBXRPL-UHFFFAOYSA-N -1 1 348.363 2.398 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC001605381050 1351149739 /nfs/dbraw/zinc/14/97/39/1351149739.db2.gz OCNOZBQCTQFCLS-UHFFFAOYSA-N -1 1 346.347 2.081 20 0 EEADMM CCN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1c(O)c(C)ncc1CO ZINC001605456249 1351162073 /nfs/dbraw/zinc/16/20/73/1351162073.db2.gz YEZMLBMXGLZELL-UHFFFAOYSA-N -1 1 348.374 2.447 20 0 EEADMM Cc1c(C[S@](C)=O)cccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001605488236 1351169582 /nfs/dbraw/zinc/16/95/82/1351169582.db2.gz RDWLEPNRCSSAJA-QHCPKHFHSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1c(C[S@](C)=O)cccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001605488236 1351169585 /nfs/dbraw/zinc/16/95/85/1351169585.db2.gz RDWLEPNRCSSAJA-QHCPKHFHSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC12CCCCC2 ZINC001605507382 1351174004 /nfs/dbraw/zinc/17/40/04/1351174004.db2.gz YMOSDGQKTDBWGX-UHFFFAOYSA-N -1 1 342.403 2.215 20 0 EEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(C(=O)[O-])oc1CC ZINC001605536073 1351183333 /nfs/dbraw/zinc/18/33/33/1351183333.db2.gz WNRSSRALNGECFN-CHWSQXEVSA-N -1 1 339.388 2.083 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C)n1C ZINC001605620273 1351202523 /nfs/dbraw/zinc/20/25/23/1351202523.db2.gz SAFPJGQXNALTKH-UHFFFAOYSA-N -1 1 346.341 2.030 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C)n1C ZINC001605620273 1351202525 /nfs/dbraw/zinc/20/25/25/1351202525.db2.gz SAFPJGQXNALTKH-UHFFFAOYSA-N -1 1 346.341 2.030 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1[C@H](C)C1CC1 ZINC001605628288 1351204828 /nfs/dbraw/zinc/20/48/28/1351204828.db2.gz ZUIHULVHTZHIGR-MRVPVSSYSA-N -1 1 344.404 2.051 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1[C@H](C)C1CC1 ZINC001605628288 1351204831 /nfs/dbraw/zinc/20/48/31/1351204831.db2.gz ZUIHULVHTZHIGR-MRVPVSSYSA-N -1 1 344.404 2.051 20 0 EEADMM Cc1cc(C)cc(OCCNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605649089 1351209972 /nfs/dbraw/zinc/20/99/72/1351209972.db2.gz FNFJJVUUNNKGHT-UHFFFAOYSA-N -1 1 325.376 2.073 20 0 EEADMM Cc1cc(C)cc(OCCNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605649089 1351209977 /nfs/dbraw/zinc/20/99/77/1351209977.db2.gz FNFJJVUUNNKGHT-UHFFFAOYSA-N -1 1 325.376 2.073 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)nc1C ZINC001605824068 1351229139 /nfs/dbraw/zinc/22/91/39/1351229139.db2.gz UEJOSCQCOMFTRQ-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)nc1C ZINC001605824068 1351229142 /nfs/dbraw/zinc/22/91/42/1351229142.db2.gz UEJOSCQCOMFTRQ-UHFFFAOYSA-N -1 1 340.391 2.082 20 0 EEADMM Cc1ccc(/C=C\CC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001605834320 1351232269 /nfs/dbraw/zinc/23/22/69/1351232269.db2.gz PVUHUUOJHBGVLU-IHWYPQMZSA-N -1 1 340.412 2.351 20 0 EEADMM Cc1ccc(/C=C\CC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001605834320 1351232272 /nfs/dbraw/zinc/23/22/72/1351232272.db2.gz PVUHUUOJHBGVLU-IHWYPQMZSA-N -1 1 340.412 2.351 20 0 EEADMM FC(F)(F)c1cc(NCCc2ccccn2)nc(-c2nnn[n-]2)c1 ZINC001606292464 1351289408 /nfs/dbraw/zinc/28/94/08/1351289408.db2.gz VNLASJAOQIGMRN-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1cc(NCCc2ccccn2)nc(-c2nn[n-]n2)c1 ZINC001606292464 1351289410 /nfs/dbraw/zinc/28/94/10/1351289410.db2.gz VNLASJAOQIGMRN-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)OCc1cccnc1-c1nnn[n-]1 ZINC001606509060 1351314060 /nfs/dbraw/zinc/31/40/60/1351314060.db2.gz HOZFZXVGTIEHBE-SECBINFHSA-N -1 1 342.186 2.279 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)OCc1cccnc1-c1nn[n-]n1 ZINC001606509060 1351314062 /nfs/dbraw/zinc/31/40/62/1351314062.db2.gz HOZFZXVGTIEHBE-SECBINFHSA-N -1 1 342.186 2.279 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637732 1351335208 /nfs/dbraw/zinc/33/52/08/1351335208.db2.gz CZJDTCNSRVKFFX-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637732 1351335213 /nfs/dbraw/zinc/33/52/13/1351335213.db2.gz CZJDTCNSRVKFFX-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001606728457 1351347934 /nfs/dbraw/zinc/34/79/34/1351347934.db2.gz YBMFDTLLQVNYHA-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001606728457 1351347939 /nfs/dbraw/zinc/34/79/39/1351347939.db2.gz YBMFDTLLQVNYHA-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cnn(C2CCC2)c1 ZINC001606830424 1351363773 /nfs/dbraw/zinc/36/37/73/1351363773.db2.gz CQMHBSHLWNGGHZ-UHFFFAOYSA-N -1 1 344.404 2.171 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001606894232 1351371681 /nfs/dbraw/zinc/37/16/81/1351371681.db2.gz NUSHBIZKNXBJGU-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001606894232 1351371682 /nfs/dbraw/zinc/37/16/82/1351371682.db2.gz NUSHBIZKNXBJGU-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM COCCOc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)o1 ZINC001606913163 1351374870 /nfs/dbraw/zinc/37/48/70/1351374870.db2.gz CMXFUBHZHHSZQM-ZENOOKHLSA-N -1 1 341.404 2.053 20 0 EEADMM COc1c(C)cc(CN(C)[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1C ZINC001607014627 1351397782 /nfs/dbraw/zinc/39/77/82/1351397782.db2.gz XLCDETHZWXBLIZ-MRXNPFEDSA-N -1 1 348.443 2.210 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(c1ccccc1)[C@@H]1CCOC1 ZINC001607017237 1351398245 /nfs/dbraw/zinc/39/82/45/1351398245.db2.gz RCLBEEZZPJVDRV-GFCCVEGCSA-N -1 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1381034278 /nfs/dbraw/zinc/03/42/78/1381034278.db2.gz RVZJHEUTIWTMEB-CQSZACIVSA-N -1 1 346.431 2.272 20 0 EEADMM CCC(CC)n1ccc(CN(C)CCNC(=O)c2ncccc2[O-])n1 ZINC001390752638 1388764147 /nfs/dbraw/zinc/76/41/47/1388764147.db2.gz ZHTXBIJIMQXQOE-UHFFFAOYSA-N -1 1 345.447 2.207 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC(F)(F)F ZINC001384347133 1382887159 /nfs/dbraw/zinc/88/71/59/1382887159.db2.gz ZORIRNLAMWIQRG-JTQLQIEISA-N -1 1 347.337 2.000 20 0 EEADMM CCC[C@H](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384471372 1384118580 /nfs/dbraw/zinc/11/85/80/1384118580.db2.gz ZKUVVDYDOPENSU-MELADBBJSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001385864263 1385876957 /nfs/dbraw/zinc/87/69/57/1385876957.db2.gz AECPTTJTIGMVTM-DGCLKSJQSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@@H](CC1CCCCC1)C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001387827797 1387026670 /nfs/dbraw/zinc/02/66/70/1387026670.db2.gz PPZCFGBKBBSHCF-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CCc1ccccc1C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C(C)(C)C ZINC001394832051 1390756363 /nfs/dbraw/zinc/75/63/63/1390756363.db2.gz LYQNDMYFOKTIDQ-CQSZACIVSA-N -1 1 345.447 2.007 20 0 EEADMM CCCC[C@@H](CNC(=O)c1[nH]ccc1C)NC(=O)c1ncccc1[O-] ZINC001395241772 1390805493 /nfs/dbraw/zinc/80/54/93/1390805493.db2.gz MUOZTRZUKKORJN-ZDUSSCGKSA-N -1 1 344.415 2.142 20 0 EEADMM CCC(CC)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001396220042 1390923833 /nfs/dbraw/zinc/92/38/33/1390923833.db2.gz CDLZJLJFKUAGBL-HIFRSBDPSA-N -1 1 347.459 2.438 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001396955629 1390994864 /nfs/dbraw/zinc/99/48/64/1390994864.db2.gz XBBHVSXYCHRUFY-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(=O)N1CCC(N(CCC)C(=O)c2ncccc2[O-])CC1 ZINC001396965233 1390996457 /nfs/dbraw/zinc/99/64/57/1390996457.db2.gz SOTAVTKVENPUAS-UHFFFAOYSA-N -1 1 333.432 2.431 20 0 EEADMM O=C(CC1CCCCC1)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001396964545 1390996467 /nfs/dbraw/zinc/99/64/67/1390996467.db2.gz DIWUPHMAVMEBDG-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@@H](C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)C ZINC001397025306 1391013437 /nfs/dbraw/zinc/01/34/37/1391013437.db2.gz VHKZJXKAVXZVHR-CABCVRRESA-N -1 1 347.459 2.484 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753035135 1406618866 /nfs/dbraw/zinc/61/88/66/1406618866.db2.gz XCVQHPOATKJPQP-KBPBESRZSA-N -1 1 349.479 2.197 20 0 EEADMM CCCc1[nH]ccc1C(=O)N[C@@H](CC)CNC(=O)c1ncccc1[O-] ZINC001398935504 1394335966 /nfs/dbraw/zinc/33/59/66/1394335966.db2.gz DMGNYKOLBCRZMZ-LBPRGKRZSA-N -1 1 344.415 2.006 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001400600835 1396457954 /nfs/dbraw/zinc/45/79/54/1396457954.db2.gz QUNBGUSWTQDEDP-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)C[C@H](CN[C@H](C)c1csnn1)NC(=O)c1ncccc1[O-] ZINC001401272357 1397106648 /nfs/dbraw/zinc/10/66/48/1397106648.db2.gz DRGKSUGAXXSMFG-VXGBXAGGSA-N -1 1 349.460 2.134 20 0 EEADMM CCCC[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccc(C)cc1C ZINC001422692872 1400130626 /nfs/dbraw/zinc/13/06/26/1400130626.db2.gz ZQCRBWDKIRWZEL-AWEZNQCLSA-N -1 1 345.447 2.206 20 0 EEADMM Cc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])c(C)c1 ZINC001432963495 1403337724 /nfs/dbraw/zinc/33/77/24/1403337724.db2.gz PRZYIOUFNWETHV-ZDUSSCGKSA-N -1 1 341.411 2.200 20 0 EEADMM CCN(C(=O)c1ccc([O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001577833149 1403687386 /nfs/dbraw/zinc/68/73/86/1403687386.db2.gz WWAGDKLKPQZRMD-LLVKDONJSA-N -1 1 338.371 2.191 20 0 EEADMM CCc1ccc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001578524035 1403768244 /nfs/dbraw/zinc/76/82/44/1403768244.db2.gz YROIYQJUVBIXCB-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM CCc1ccc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001578524035 1403768250 /nfs/dbraw/zinc/76/82/50/1403768250.db2.gz YROIYQJUVBIXCB-UHFFFAOYSA-N -1 1 329.389 2.207 20 0 EEADMM COC(=O)c1cc(NC(=O)c2csc(-c3nn[n-]n3)c2)ccc1F ZINC001579483308 1403783973 /nfs/dbraw/zinc/78/39/73/1403783973.db2.gz BBWHAFIWCFYADO-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COc1ncc(NC(=O)[C@H](C)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC001580129946 1403831874 /nfs/dbraw/zinc/83/18/74/1403831874.db2.gz DYRPPDRUZSVEDM-LLVKDONJSA-N -1 1 338.371 2.321 20 0 EEADMM COc1ncc(NC(=O)c2cc(C)sc2C)cc1-c1nn[n-]n1 ZINC001580138888 1403832881 /nfs/dbraw/zinc/83/28/81/1403832881.db2.gz ROWFFFAOYXRWJF-UHFFFAOYSA-N -1 1 330.373 2.201 20 0 EEADMM Cc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c(Cl)c1 ZINC001581207433 1403878099 /nfs/dbraw/zinc/87/80/99/1403878099.db2.gz NWGDGUZEWIJTQJ-UHFFFAOYSA-N -1 1 344.762 2.490 20 0 EEADMM COc1cccc(C(C)(C)CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001591638403 1403932536 /nfs/dbraw/zinc/93/25/36/1403932536.db2.gz OLVHEDPXPXFJRH-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1cccc(C(C)(C)CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001591638403 1403932539 /nfs/dbraw/zinc/93/25/39/1403932539.db2.gz OLVHEDPXPXFJRH-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001591651877 1403934455 /nfs/dbraw/zinc/93/44/55/1403934455.db2.gz SBNSAHZTFXATQH-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001591651877 1403934462 /nfs/dbraw/zinc/93/44/62/1403934462.db2.gz SBNSAHZTFXATQH-LBPRGKRZSA-N -1 1 340.387 2.458 20 0 EEADMM CSCC[C@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591700767 1403939619 /nfs/dbraw/zinc/93/96/19/1403939619.db2.gz UHLAVHFBFOAQSB-ZETCQYMHSA-N -1 1 327.360 2.016 20 0 EEADMM CSCC[C@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591700767 1403939628 /nfs/dbraw/zinc/93/96/28/1403939628.db2.gz UHLAVHFBFOAQSB-ZETCQYMHSA-N -1 1 327.360 2.016 20 0 EEADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001591830990 1403953011 /nfs/dbraw/zinc/95/30/11/1403953011.db2.gz XTFJWXZGDNYRED-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001591830990 1403953014 /nfs/dbraw/zinc/95/30/14/1403953014.db2.gz XTFJWXZGDNYRED-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1cc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)cs1 ZINC001591977838 1403979023 /nfs/dbraw/zinc/97/90/23/1403979023.db2.gz MAFRVUHLVPTBTB-UHFFFAOYSA-N -1 1 327.413 2.325 20 0 EEADMM Cc1nsc(NC(=O)NC2(C3CCC3)CCC2)c1-c1nnn[n-]1 ZINC001592481957 1404700891 /nfs/dbraw/zinc/70/08/91/1404700891.db2.gz YGHQEOMBPMOPNA-UHFFFAOYSA-N -1 1 333.421 2.476 20 0 EEADMM Cc1nsc(NC(=O)NC2(C3CCC3)CCC2)c1-c1nn[n-]n1 ZINC001592481957 1404700896 /nfs/dbraw/zinc/70/08/96/1404700896.db2.gz YGHQEOMBPMOPNA-UHFFFAOYSA-N -1 1 333.421 2.476 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593226152 1404748039 /nfs/dbraw/zinc/74/80/39/1404748039.db2.gz GVNUFMDZMKIIJN-GFCCVEGCSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593226152 1404748044 /nfs/dbraw/zinc/74/80/44/1404748044.db2.gz GVNUFMDZMKIIJN-GFCCVEGCSA-N -1 1 336.355 2.018 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001606065073 1404761288 /nfs/dbraw/zinc/76/12/88/1404761288.db2.gz KTXHIELCAGOXNL-JKSUJKDBSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@H](O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001606065073 1404761292 /nfs/dbraw/zinc/76/12/92/1404761292.db2.gz KTXHIELCAGOXNL-JKSUJKDBSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1nsc(N2C[C@H](C(F)(F)F)OC(C)(C)C2)c1-c1nn[n-]n1 ZINC001606142332 1404768060 /nfs/dbraw/zinc/76/80/60/1404768060.db2.gz BFGVEXJIENTKIZ-SSDOTTSWSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1nsc(NC[C@H](O)c2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC001606162313 1404771172 /nfs/dbraw/zinc/77/11/72/1404771172.db2.gz JQNWLPWPZRRYIW-JTQLQIEISA-N -1 1 336.808 2.431 20 0 EEADMM O=C(OCC(=O)c1ccc([O-])cc1O)c1occc1Br ZINC001771616308 1406144677 /nfs/dbraw/zinc/14/46/77/1406144677.db2.gz RFHWTMAGKKSSIA-UHFFFAOYSA-N -1 1 341.113 2.493 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)cc1 ZINC000322712862 1409864138 /nfs/dbraw/zinc/86/41/38/1409864138.db2.gz QIGZOYUPCRTMLT-UHFFFAOYSA-N -1 1 325.349 2.433 20 0 EEADMM COC(=O)C1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CC1 ZINC001771813942 1409957411 /nfs/dbraw/zinc/95/74/11/1409957411.db2.gz XRTJFMBQTRLHGL-UHFFFAOYSA-N -1 1 348.143 2.363 20 0 EEADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(F)F ZINC000390304870 1410207010 /nfs/dbraw/zinc/20/70/10/1410207010.db2.gz TXWPZGUGIKGGNZ-RXMQYKEDSA-N -1 1 341.095 2.380 20 0 EEADMM Cc1ccc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000942392671 782381184 /nfs/dbraw/zinc/38/11/84/782381184.db2.gz RXTSWJLVMZYUNQ-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM C[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087201347 760284814 /nfs/dbraw/zinc/28/48/14/760284814.db2.gz MIPGNNMGMKTJQZ-RDBSUJKOSA-N -1 1 349.479 2.053 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001089487696 769773444 /nfs/dbraw/zinc/77/34/44/769773444.db2.gz MOYPDOKNXZEGNJ-HZSPNIEDSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]CC2(Br)CC2)c(F)cc1F ZINC000920058106 770534588 /nfs/dbraw/zinc/53/45/88/770534588.db2.gz PTJBHMLAECFECH-UHFFFAOYSA-N -1 1 340.189 2.479 20 0 EEADMM CC(C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1)=C1CCC1 ZINC000980144210 773943097 /nfs/dbraw/zinc/94/30/97/773943097.db2.gz BQBWXCPVLDJFDC-UHFFFAOYSA-N -1 1 343.427 2.445 20 0 EEADMM CCN(C(=O)c1coc(C)c1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942757519 783143646 /nfs/dbraw/zinc/14/36/46/783143646.db2.gz BKOLJDIXEXGOFL-CQSZACIVSA-N -1 1 343.383 2.065 20 0 EEADMM C=Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000938954638 775031058 /nfs/dbraw/zinc/03/10/58/775031058.db2.gz YWMQJFAXJRPYSF-HNNXBMFYSA-N -1 1 337.379 2.075 20 0 EEADMM C[C@](O)(CNC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000181220971 775732138 /nfs/dbraw/zinc/73/21/38/775732138.db2.gz MSCYQCKFOWIEMX-INIZCTEOSA-N -1 1 325.286 2.447 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000939210127 775945253 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O=S(=O)([N-]c1ccncc1F)c1c(Cl)nc2sccn21 ZINC000226509364 790076873 /nfs/dbraw/zinc/07/68/73/790076873.db2.gz RUHLMVUYRBAGFW-UHFFFAOYSA-N -1 1 332.769 2.384 20 0 EEADMM CC(C)C[C@H](C(=O)[O-])N(C)CCS(=O)(=O)Cc1ccccc1 ZINC000846275399 790112238 /nfs/dbraw/zinc/11/22/38/790112238.db2.gz RYEPKDYPYUOFCS-OAHLLOKOSA-N -1 1 327.446 2.033 20 0 EEADMM O=C(NC[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-])C1=CCCC1 ZINC000946379266 791459611 /nfs/dbraw/zinc/45/96/11/791459611.db2.gz HHTPXMILVYTTAL-GJZGRUSLSA-N -1 1 343.427 2.302 20 0 EEADMM CSc1nc(CNC(=O)c2ccc(-n3cccn3)cc2)cc(=O)[n-]1 ZINC001143612044 791514381 /nfs/dbraw/zinc/51/43/81/791514381.db2.gz DITPEMFAPCMXJB-UHFFFAOYSA-N -1 1 341.396 2.020 20 0 EEADMM CS(=O)(=O)c1cc(F)c([N-]C(=O)c2cc(F)ncc2F)cc1F ZINC001146971373 791624228 /nfs/dbraw/zinc/62/42/28/791624228.db2.gz PLXMZGGJHIVDTM-UHFFFAOYSA-N -1 1 348.277 2.294 20 0 EEADMM CCOC(=O)c1oc2nccnc2c1[N-]C(=O)c1ncnc(C)c1C ZINC001147063532 791672673 /nfs/dbraw/zinc/67/26/73/791672673.db2.gz RHHTWCHRJQXMAS-UHFFFAOYSA-N -1 1 341.327 2.059 20 0 EEADMM Cc1[n-][nH]c2ncnc(=NC(=O)c3nc(-c4ccccc4)oc3C)c1-2 ZINC001147306704 791793538 /nfs/dbraw/zinc/79/35/38/791793538.db2.gz FKBCVYOTILZRMR-UHFFFAOYSA-N -1 1 334.339 2.251 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2nc(C(F)(F)F)cs2)c1[O-] ZINC001147834420 791991234 /nfs/dbraw/zinc/99/12/34/791991234.db2.gz UAXKJJFGCAWNDX-UHFFFAOYSA-N -1 1 333.291 2.316 20 0 EEADMM Cc1nccc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063936498 791995633 /nfs/dbraw/zinc/99/56/33/791995633.db2.gz BVWGFFQHNRUDIN-GXTWGEPZSA-N -1 1 341.415 2.238 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCc3cnc(Cl)cn3)cc2)[n-]1 ZINC001148339666 792348333 /nfs/dbraw/zinc/34/83/33/792348333.db2.gz FECFYXNVCVPIRV-UHFFFAOYSA-N -1 1 343.774 2.173 20 0 EEADMM CCCN(CCOC)C(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148981606 792838844 /nfs/dbraw/zinc/83/88/44/792838844.db2.gz MVEHCERZOMVPJD-UHFFFAOYSA-N -1 1 332.194 2.359 20 0 EEADMM CCN(CC(C)(C)O)C(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148989268 792846331 /nfs/dbraw/zinc/84/63/31/792846331.db2.gz PUNPZWUCSCZPKU-UHFFFAOYSA-N -1 1 332.194 2.093 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCc2[nH]ccc2C1 ZINC001148988451 792846925 /nfs/dbraw/zinc/84/69/25/792846925.db2.gz CMLIVOWZRIKZEN-UHFFFAOYSA-N -1 1 337.173 2.387 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC000992256241 793419454 /nfs/dbraw/zinc/41/94/54/793419454.db2.gz NXFNEVBUUOQFFK-NWINJMCUSA-N -1 1 345.443 2.094 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H](NCc2coc(C3CC3)n2)C1 ZINC000998999935 793661671 /nfs/dbraw/zinc/66/16/71/793661671.db2.gz GIYNERHHCXBELV-CYBMUJFWSA-N -1 1 342.399 2.047 20 0 EEADMM CCc1nsc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H](C)C2)n1 ZINC001064766414 793694214 /nfs/dbraw/zinc/69/42/14/793694214.db2.gz QCXYTFYNKMMRQB-GHMZBOCLSA-N -1 1 347.444 2.306 20 0 EEADMM COC(=O)c1cc([O-])c(Br)c(O[C@@H]2CCOC[C@@H]2F)c1 ZINC001233907914 793901322 /nfs/dbraw/zinc/90/13/22/793901322.db2.gz LXSXZBIWBXJLMT-WCBMZHEXSA-N -1 1 349.152 2.447 20 0 EEADMM CCc1ncnc(N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1F ZINC001089271693 793916867 /nfs/dbraw/zinc/91/68/67/793916867.db2.gz KPQGBBIBFMTNLM-WDEREUQCSA-N -1 1 347.394 2.288 20 0 EEADMM [O-]c1ccc(-c2noc(Cc3csc(-c4nc[nH]n4)n3)n2)cc1F ZINC000350830539 794068349 /nfs/dbraw/zinc/06/83/49/794068349.db2.gz CTLKRONLDPCLHW-UHFFFAOYSA-N -1 1 344.331 2.414 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(c2ncc(Cl)cn2)CC1 ZINC001065076827 794185226 /nfs/dbraw/zinc/18/52/26/794185226.db2.gz DYAXXJBWPUJRAQ-UHFFFAOYSA-N -1 1 347.806 2.020 20 0 EEADMM O=C(CCc1cncc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913744541 794210727 /nfs/dbraw/zinc/21/07/27/794210727.db2.gz SUARZNDDJKWNFL-UHFFFAOYSA-N -1 1 336.399 2.087 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2c(F)cccc2F)CCC1 ZINC000913746406 794223504 /nfs/dbraw/zinc/22/35/04/794223504.db2.gz RXZUOTGEFXAEFP-UHFFFAOYSA-N -1 1 347.369 2.306 20 0 EEADMM CCc1nc(C)cc(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296373 795360813 /nfs/dbraw/zinc/36/08/13/795360813.db2.gz PLXQYBDRWJUJHY-LLVKDONJSA-N -1 1 329.404 2.069 20 0 EEADMM Cc1cscc1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946533451 795528217 /nfs/dbraw/zinc/52/82/17/795528217.db2.gz UYUIYZDPRFZNKM-UHFFFAOYSA-N -1 1 345.424 2.192 20 0 EEADMM O=C(N[C@@H]1CCCC12OCCO2)c1ccc(Br)c([O-])c1 ZINC000715907907 795556568 /nfs/dbraw/zinc/55/65/68/795556568.db2.gz RRMOBAJCXLGWRH-GFCCVEGCSA-N -1 1 342.189 2.180 20 0 EEADMM C[C@@H]1CCC[C@H]1CC(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946538572 795668199 /nfs/dbraw/zinc/66/81/99/795668199.db2.gz ILQGJAREWJAHBL-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cncc(COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000785674163 806538181 /nfs/dbraw/zinc/53/81/81/806538181.db2.gz UGCFPBTVIFZUSL-UHFFFAOYSA-N -1 1 326.356 2.041 20 0 EEADMM Cc1ccc(NCCCCCCNC(=O)c2ncccc2[O-])nn1 ZINC001094945234 797078889 /nfs/dbraw/zinc/07/88/89/797078889.db2.gz UAPWGTQAHXKCEX-UHFFFAOYSA-N -1 1 329.404 2.288 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C1CCCCC1)C(=O)c1ncccc1[O-] ZINC001002094846 797553903 /nfs/dbraw/zinc/55/39/03/797553903.db2.gz XPRLQUNZDJKQSM-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCC(=O)NC(C)C)c1 ZINC000785841130 806603208 /nfs/dbraw/zinc/60/32/08/806603208.db2.gz NMLIDRLFSBEFBN-UHFFFAOYSA-N -1 1 335.400 2.375 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc3n[nH]cc3c2)c1 ZINC001174275812 797737208 /nfs/dbraw/zinc/73/72/08/797737208.db2.gz HCQBJFDKQFXHOV-UHFFFAOYSA-N -1 1 332.341 2.279 20 0 EEADMM O=C(CNc1cccc(Cl)c1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001168693723 797927266 /nfs/dbraw/zinc/92/72/66/797927266.db2.gz JYBHHZIXYPGELO-OAHLLOKOSA-N -1 1 342.790 2.171 20 0 EEADMM CCS(=O)(=O)c1cccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)c1 ZINC001175448973 798126173 /nfs/dbraw/zinc/12/61/73/798126173.db2.gz RIUVZURPWMFCSW-UHFFFAOYSA-N -1 1 340.386 2.406 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCN(CC=C(Cl)Cl)C[C@H]21 ZINC001084299733 798159392 /nfs/dbraw/zinc/15/93/92/798159392.db2.gz BSTNXURVNCNHGI-GHMZBOCLSA-N -1 1 342.226 2.253 20 0 EEADMM COc1cccc2[nH]c([N-]S(=O)(=O)c3ccc(N)c(N)c3)cc21 ZINC001176064089 798340966 /nfs/dbraw/zinc/34/09/66/798340966.db2.gz NVYTYYAUSZXMQW-UHFFFAOYSA-N -1 1 332.385 2.142 20 0 EEADMM O=c1cc(Nc2ccc(CCN3CCOCC3)cc2)nc(Cl)[n-]1 ZINC001176379481 798430919 /nfs/dbraw/zinc/43/09/19/798430919.db2.gz GKGBPRFMZJCDSY-UHFFFAOYSA-N -1 1 334.807 2.454 20 0 EEADMM Cc1nc([C@@H](C)NCCCCCCNC(=O)c2ncccc2[O-])no1 ZINC001178283546 799380766 /nfs/dbraw/zinc/38/07/66/799380766.db2.gz SFIPAKQMHNSQEG-GFCCVEGCSA-N -1 1 347.419 2.120 20 0 EEADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(N)c(N)c2)c(OC)c1 ZINC001213119098 799512969 /nfs/dbraw/zinc/51/29/69/799512969.db2.gz MZUYHEGJGLAZNA-UHFFFAOYSA-N -1 1 337.401 2.059 20 0 EEADMM Cc1cc(NC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)nc(C)n1 ZINC001065838334 799616327 /nfs/dbraw/zinc/61/63/27/799616327.db2.gz AYSFLVRMORPGSR-FZMZJTMJSA-N -1 1 341.415 2.014 20 0 EEADMM C=C/C(C)=C/CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066076292 799972306 /nfs/dbraw/zinc/97/23/06/799972306.db2.gz DLUPYIBEXBRICM-NHXNDTTKSA-N -1 1 343.427 2.421 20 0 EEADMM CC[C@H](CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)C(C)(C)C ZINC001179912889 800185244 /nfs/dbraw/zinc/18/52/44/800185244.db2.gz VTDPOIZLZROQEX-XQQFMLRXSA-N -1 1 337.468 2.052 20 0 EEADMM CCc1ccc(OCC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001180513686 800446220 /nfs/dbraw/zinc/44/62/20/800446220.db2.gz HUKDPGWXVVMOJO-UHFFFAOYSA-N -1 1 345.359 2.226 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)CC2CCC2)CC1 ZINC001004076831 800919551 /nfs/dbraw/zinc/91/95/51/800919551.db2.gz KRHBJNYPABCHOQ-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@H](CCCCNc1ncc(F)cn1)NC(=O)c1ncccc1[O-] ZINC001090079000 801219932 /nfs/dbraw/zinc/21/99/32/801219932.db2.gz AHFJJALHXCZMBL-NSHDSACASA-N -1 1 333.367 2.117 20 0 EEADMM N=C([N-]C(=O)C(F)(F)c1ccc(F)cc1)n1nnc2ccccc21 ZINC001182890296 801388024 /nfs/dbraw/zinc/38/80/24/801388024.db2.gz LOVCTFDYTABHLK-UHFFFAOYSA-N -1 1 333.273 2.261 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2O1)C(F)(F)OCC(F)(F)F ZINC001183194743 801508013 /nfs/dbraw/zinc/50/80/13/801508013.db2.gz OINKCCKLETVQMA-VIFPVBQESA-N -1 1 325.233 2.278 20 0 EEADMM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1c[n-][nH]c1=O ZINC001183561443 801645833 /nfs/dbraw/zinc/64/58/33/801645833.db2.gz BZHNHWUWJSTYEO-UHFFFAOYSA-N -1 1 329.335 2.238 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3nccn32)cc1C(=O)[O-] ZINC001184653804 802119146 /nfs/dbraw/zinc/11/91/46/802119146.db2.gz RKSOGKRQULXDHA-UHFFFAOYSA-N -1 1 331.353 2.142 20 0 EEADMM CCOc1cncc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184668707 802126935 /nfs/dbraw/zinc/12/69/35/802126935.db2.gz YOJLSFVCRNNERZ-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccsc2)c(Cl)c1 ZINC001185351048 802460547 /nfs/dbraw/zinc/46/05/47/802460547.db2.gz QVSDFDUJQIVWTI-UHFFFAOYSA-N -1 1 332.790 2.384 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004751319 802760498 /nfs/dbraw/zinc/76/04/98/802760498.db2.gz MDKRXSBKBHUMIH-VXGBXAGGSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NC[C@H]2COCCN2C)cc1 ZINC001169659393 803933370 /nfs/dbraw/zinc/93/33/70/803933370.db2.gz FCHXBYVAZLUINU-FZMZJTMJSA-N -1 1 345.365 2.169 20 0 EEADMM C[C@H](CN(C)c1ncnc2ccsc21)NC(=O)c1ncccc1[O-] ZINC001108946581 804720628 /nfs/dbraw/zinc/72/06/28/804720628.db2.gz NRJCBFJYDANMPV-SNVBAGLBSA-N -1 1 343.412 2.047 20 0 EEADMM O=C(CCc1ccc(=O)[nH]c1)Nc1nc(Br)ccc1[O-] ZINC000787904188 807297584 /nfs/dbraw/zinc/29/75/84/807297584.db2.gz ZPBDRVJSMLPFQU-UHFFFAOYSA-N -1 1 338.161 2.222 20 0 EEADMM CCc1nc(C)cc(N[C@@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983496 807762598 /nfs/dbraw/zinc/76/25/98/807762598.db2.gz MJRNORISWOVJSF-RYUDHWBXSA-N -1 1 329.404 2.067 20 0 EEADMM O=C(COC(=O)c1[nH]nc2c1CCCCC2)[N-]OCc1ccccc1 ZINC000789174994 807870221 /nfs/dbraw/zinc/87/02/21/807870221.db2.gz GXUACGGRCLIZLR-UHFFFAOYSA-N -1 1 343.383 2.083 20 0 EEADMM CCO[C@H]1C[C@](O)(CNC(=O)c2c([O-])cccc2Cl)C1(C)C ZINC000789879899 808236016 /nfs/dbraw/zinc/23/60/16/808236016.db2.gz WYRMIYNYWNZSMG-LRDDRELGSA-N -1 1 327.808 2.342 20 0 EEADMM Cc1c(=O)[n-]c(S[C@@H]2CCC(=O)NC2=O)nc1-c1ccccc1 ZINC000790003632 808327413 /nfs/dbraw/zinc/32/74/13/808327413.db2.gz PALZFZCDYXWGOC-LLVKDONJSA-N -1 1 329.381 2.055 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)CCCOc3ccccc3F)ccnc1-2 ZINC000791167082 809101021 /nfs/dbraw/zinc/10/10/21/809101021.db2.gz NXWOVIASIFGKBK-UHFFFAOYSA-N -1 1 328.347 2.279 20 0 EEADMM Nc1cc(COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])ccn1 ZINC000792202640 809651295 /nfs/dbraw/zinc/65/12/95/809651295.db2.gz DTJFCAHBRBNYTG-UHFFFAOYSA-N -1 1 328.303 2.051 20 0 EEADMM Cc1nc(CNCCCC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001170212939 809815469 /nfs/dbraw/zinc/81/54/69/809815469.db2.gz VUXDHIMJOUCCPE-SNVBAGLBSA-N -1 1 349.435 2.107 20 0 EEADMM Cc1nc(OCC(C)C)ccc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170220851 809822450 /nfs/dbraw/zinc/82/24/50/809822450.db2.gz VDZIAXRPGAXVNO-UHFFFAOYSA-N -1 1 330.348 2.198 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])Nc1nccnc1F ZINC001114089762 810323464 /nfs/dbraw/zinc/32/34/64/810323464.db2.gz PUMLAMTZOLDPHN-LBPRGKRZSA-N -1 1 347.394 2.315 20 0 EEADMM Cc1cc(C(=O)[C@H](C)OC(=O)c2cn[n-]n2)c(C)n1Cc1ccco1 ZINC000805603281 811364731 /nfs/dbraw/zinc/36/47/31/811364731.db2.gz KFDDORJXBAPLRG-LBPRGKRZSA-N -1 1 342.355 2.293 20 0 EEADMM COC(=O)c1sc2cccc(F)c2c1COC(=O)c1cn[n-]n1 ZINC000805606433 811370939 /nfs/dbraw/zinc/37/09/39/811370939.db2.gz INNJYUGKLDLJSJ-UHFFFAOYSA-N -1 1 335.316 2.302 20 0 EEADMM COC(=O)C[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000806919559 812021551 /nfs/dbraw/zinc/02/15/51/812021551.db2.gz NRCWXJFOTTUEPV-ZDUSSCGKSA-N -1 1 339.347 2.268 20 0 EEADMM O=C([O-])c1sc2ccccc2c1CN1CCN2C(=O)CC[C@@H]2C1 ZINC000321858738 970816691 /nfs/dbraw/zinc/81/66/91/970816691.db2.gz INVBTWTVCUOJEC-LLVKDONJSA-N -1 1 330.409 2.406 20 0 EEADMM COCc1ccccc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000826165267 947519987 /nfs/dbraw/zinc/51/99/87/947519987.db2.gz MPMQJPPANUGGCP-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826291298 947846982 /nfs/dbraw/zinc/84/69/82/947846982.db2.gz YRNSGFLMDKVLBG-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(C)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826291298 947846986 /nfs/dbraw/zinc/84/69/86/947846986.db2.gz YRNSGFLMDKVLBG-UHFFFAOYSA-N -1 1 332.751 2.306 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1-c1nnn[n-]1 ZINC000826346854 948044835 /nfs/dbraw/zinc/04/48/35/948044835.db2.gz XMUMSKZRVLTNEM-NEPJUHHUSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c1-c1nn[n-]n1 ZINC000826346854 948044846 /nfs/dbraw/zinc/04/48/46/948044846.db2.gz XMUMSKZRVLTNEM-NEPJUHHUSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826348198 948068215 /nfs/dbraw/zinc/06/82/15/948068215.db2.gz ABABVCGQTAWBFQ-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(F)c2)c1-c1nn[n-]n1 ZINC000826348198 948068223 /nfs/dbraw/zinc/06/82/23/948068223.db2.gz ABABVCGQTAWBFQ-UHFFFAOYSA-N -1 1 336.714 2.137 20 0 EEADMM Fc1cccc(O[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000826377376 948166923 /nfs/dbraw/zinc/16/69/23/948166923.db2.gz OVLPCTRDOQDGDS-ZDUSSCGKSA-N -1 1 326.335 2.059 20 0 EEADMM Fc1cccc(O[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000826377376 948166929 /nfs/dbraw/zinc/16/69/29/948166929.db2.gz OVLPCTRDOQDGDS-ZDUSSCGKSA-N -1 1 326.335 2.059 20 0 EEADMM CCc1nc(OC)ccc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001570930031 948798649 /nfs/dbraw/zinc/79/86/49/948798649.db2.gz ZFDOGJCYJUEQTH-UHFFFAOYSA-N -1 1 330.373 2.147 20 0 EEADMM CCc1nc(OC)ccc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001570930031 948798658 /nfs/dbraw/zinc/79/86/58/948798658.db2.gz ZFDOGJCYJUEQTH-UHFFFAOYSA-N -1 1 330.373 2.147 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1F ZINC001570930504 948818482 /nfs/dbraw/zinc/81/84/82/948818482.db2.gz LOCLPCOITJTLBZ-MRVPVSSYSA-N -1 1 333.298 2.271 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1F ZINC001570930504 948818500 /nfs/dbraw/zinc/81/85/00/948818500.db2.gz LOCLPCOITJTLBZ-MRVPVSSYSA-N -1 1 333.298 2.271 20 0 EEADMM C[C@@H]1CCC[C@H](OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001570934331 948934934 /nfs/dbraw/zinc/93/49/34/948934934.db2.gz ZZFOEWUXTVEVDO-MNOVXSKESA-N -1 1 335.433 2.140 20 0 EEADMM COc1cccc([C@H](C)C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001570936481 949039084 /nfs/dbraw/zinc/03/90/84/949039084.db2.gz WBVPFNVDUQZPFG-NSHDSACASA-N -1 1 338.371 2.037 20 0 EEADMM COc1cccc([C@H](C)C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001570936481 949039105 /nfs/dbraw/zinc/03/91/05/949039105.db2.gz WBVPFNVDUQZPFG-NSHDSACASA-N -1 1 338.371 2.037 20 0 EEADMM O=C([O-])c1ccc(CNCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC001595230721 949342383 /nfs/dbraw/zinc/34/23/83/949342383.db2.gz MKVRTFAXFMOQJM-UHFFFAOYSA-N -1 1 337.372 2.087 20 0 EEADMM O=C(Nc1cccc2c1OCO2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001570944573 949427254 /nfs/dbraw/zinc/42/72/54/949427254.db2.gz UPPWECSZRBNTGU-UHFFFAOYSA-N -1 1 345.265 2.126 20 0 EEADMM O=C(Nc1cccc2c1OCO2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001570944573 949427259 /nfs/dbraw/zinc/42/72/59/949427259.db2.gz UPPWECSZRBNTGU-UHFFFAOYSA-N -1 1 345.265 2.126 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(C)(C)C1CCCC1 ZINC001570944570 949427699 /nfs/dbraw/zinc/42/76/99/949427699.db2.gz UMSIGOKMKJPDAK-UHFFFAOYSA-N -1 1 344.419 2.222 20 0 EEADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CC[C@@H]1c1ccccc1 ZINC001570949682 949654755 /nfs/dbraw/zinc/65/47/55/949654755.db2.gz YDKHCPDEFBUPKR-LLVKDONJSA-N -1 1 347.425 2.064 20 0 EEADMM C[C@@H](CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccn1 ZINC001575002243 950653719 /nfs/dbraw/zinc/65/37/19/950653719.db2.gz QOEUTVZAQMKPFU-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM C[C@@H](CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccn1 ZINC001575002243 950653730 /nfs/dbraw/zinc/65/37/30/950653730.db2.gz QOEUTVZAQMKPFU-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)CCc2cnc[nH]2)C1 ZINC001595022957 951321258 /nfs/dbraw/zinc/32/12/58/951321258.db2.gz LRNRZGVDFUOQJE-CYBMUJFWSA-N -1 1 327.384 2.413 20 0 EEADMM O=C([O-])CCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001595028431 951361516 /nfs/dbraw/zinc/36/15/16/951361516.db2.gz GEQLBBQSOLTKSF-UHFFFAOYSA-N -1 1 325.328 2.213 20 0 EEADMM O=C([O-])c1c(F)ccc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)c1Cl ZINC001595206902 952334613 /nfs/dbraw/zinc/33/46/13/952334613.db2.gz QKVSSXDJVAEFQP-QMMMGPOBSA-N -1 1 327.743 2.099 20 0 EEADMM C[C@@H](COc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001575180053 952414641 /nfs/dbraw/zinc/41/46/41/952414641.db2.gz XLIGMXQBUFZJDB-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H](COc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001575180053 952414643 /nfs/dbraw/zinc/41/46/43/952414643.db2.gz XLIGMXQBUFZJDB-VIFPVBQESA-N -1 1 347.375 2.265 20 0 EEADMM C[C@@H]1CCN(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C1 ZINC001589353246 954102277 /nfs/dbraw/zinc/10/22/77/954102277.db2.gz OPCVTNMFKGISMN-CABCVRRESA-N -1 1 330.428 2.399 20 0 EEADMM CN(C)Cc1ccnc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC001593704649 954147731 /nfs/dbraw/zinc/14/77/31/954147731.db2.gz XLTMNRXTZSBGGT-UHFFFAOYSA-N -1 1 334.420 2.252 20 0 EEADMM CC(C)[C@@H](NCCS(=O)(=O)CC(=O)[O-])c1ccccc1Cl ZINC001602992594 972024101 /nfs/dbraw/zinc/02/41/01/972024101.db2.gz LCNOIVNOXZDUQP-CQSZACIVSA-N -1 1 333.837 2.126 20 0 EEADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000902309015 956697693 /nfs/dbraw/zinc/69/76/93/956697693.db2.gz GXYBBEJUZAKBFG-QGZVFWFLSA-N -1 1 335.404 2.021 20 0 EEADMM COCC1=CCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001593988884 956812670 /nfs/dbraw/zinc/81/26/70/956812670.db2.gz PXTDDCQSMODTKO-HNNXBMFYSA-N -1 1 334.416 2.359 20 0 EEADMM Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCOc2ccccc2C(=O)[O-])n1 ZINC001594268649 959773886 /nfs/dbraw/zinc/77/38/86/959773886.db2.gz APGSUJZQKOZXGT-UHFFFAOYSA-N -1 1 331.372 2.093 20 0 EEADMM Cc1cc(=O)[nH]c(C(C)(C)NCCOc2ccccc2C(=O)[O-])n1 ZINC001594268649 959773901 /nfs/dbraw/zinc/77/39/01/959773901.db2.gz APGSUJZQKOZXGT-UHFFFAOYSA-N -1 1 331.372 2.093 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC001573699152 959812478 /nfs/dbraw/zinc/81/24/78/959812478.db2.gz QMCDSNSWUHKTFQ-RBSFLKMASA-N -1 1 349.431 2.169 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001260219499 960708936 /nfs/dbraw/zinc/70/89/36/960708936.db2.gz MEHOUPWBMHYYGY-SECBINFHSA-N -1 1 329.271 2.143 20 0 EEADMM CCN(CCNC(=O)[C@H](C(=O)[O-])C1CCCC1)CCC(F)(F)F ZINC001573881066 961276109 /nfs/dbraw/zinc/27/61/09/961276109.db2.gz JNKQHKBVZOHJTE-GFCCVEGCSA-N -1 1 338.370 2.268 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC001571182416 962177242 /nfs/dbraw/zinc/17/72/42/962177242.db2.gz YIBAIMUCNMJAAQ-BONVTDFDSA-N -1 1 328.372 2.482 20 0 EEADMM CC(C)OC(=O)c1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)n[nH]1 ZINC001588928893 962458645 /nfs/dbraw/zinc/45/86/45/962458645.db2.gz IMAPZBCWHFOELA-UHFFFAOYSA-N -1 1 337.376 2.339 20 0 EEADMM CC(C)[C@@H](NCC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC001588951262 962579468 /nfs/dbraw/zinc/57/94/68/962579468.db2.gz YGTPHOVYNMJROQ-QGZVFWFLSA-N -1 1 332.444 2.313 20 0 EEADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(CCO)c1 ZINC000313205055 963623257 /nfs/dbraw/zinc/62/32/57/963623257.db2.gz PYNMDICPJOENDS-UHFFFAOYSA-N -1 1 341.410 2.090 20 0 EEADMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccnc(Cl)c3)C2)cn1 ZINC001261903961 969690684 /nfs/dbraw/zinc/69/06/84/969690684.db2.gz PPNZJWGBNMEZOS-OLZOCXBDSA-N -1 1 334.807 2.159 20 0 EEADMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3ccnc(Cl)c3)C2)cn1 ZINC001261903961 969690688 /nfs/dbraw/zinc/69/06/88/969690688.db2.gz PPNZJWGBNMEZOS-OLZOCXBDSA-N -1 1 334.807 2.159 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)[nH]n1 ZINC001605855273 972603089 /nfs/dbraw/zinc/60/30/89/972603089.db2.gz NRYYRXHGTCTLJH-UHFFFAOYSA-N -1 1 348.322 2.299 20 0 EEADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCOCC4(CC4)C3)o2)C1 ZINC001605997508 973068486 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ZINC000822449715 607250599 /nfs/dbraw/zinc/25/05/99/607250599.db2.gz LQYKOQMWAMTAJN-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000824478314 607866002 /nfs/dbraw/zinc/86/60/02/607866002.db2.gz GMXZJTQLGFMLNG-VIFPVBQESA-N -1 1 347.375 2.324 20 0 EEADMM C[C@H](NC(=O)COc1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000824478314 607866003 /nfs/dbraw/zinc/86/60/03/607866003.db2.gz GMXZJTQLGFMLNG-VIFPVBQESA-N -1 1 347.375 2.324 20 0 EEADMM Cc1ccsc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826316456 607867836 /nfs/dbraw/zinc/86/78/36/607867836.db2.gz OSRBTROZNJBTOM-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1ccsc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826316456 607867837 /nfs/dbraw/zinc/86/78/37/607867837.db2.gz OSRBTROZNJBTOM-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM O=C(O[C@H]([C@H]1CCCO1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826462038 607964501 /nfs/dbraw/zinc/96/45/01/607964501.db2.gz MQSKSMVFXIKVFF-VXNVDRBHSA-N -1 1 348.306 2.195 20 0 EEADMM 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CC1(C(=O)N[C@@H]2CC23CCN(C(=O)c2ncccc2[O-])CC3)CCC1 ZINC000964612158 1218486265 /nfs/dbraw/zinc/48/62/65/1218486265.db2.gz VZTGWMXDDFGZPY-CQSZACIVSA-N -1 1 343.427 2.088 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)c1ccoc1 ZINC000966952809 1220146638 /nfs/dbraw/zinc/14/66/38/1220146638.db2.gz YDTDPTYGDKJCHX-CQSZACIVSA-N -1 1 343.383 2.051 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccco2)CC1 ZINC000967526036 1220597664 /nfs/dbraw/zinc/59/76/64/1220597664.db2.gz MPCXDSOKCBMVTA-CYBMUJFWSA-N -1 1 343.383 2.147 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967528416 1220600602 /nfs/dbraw/zinc/60/06/02/1220600602.db2.gz UMYFYBBWSZRIHH-KBPBESRZSA-N -1 1 333.432 2.286 20 0 EEADMM CCN(C(=O)[C@@H]1CCCC12CC2)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968089211 1221039119 /nfs/dbraw/zinc/03/91/19/1221039119.db2.gz KAZXKRPCHHECHV-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@H](CCCNc1ncnc2c1CCC2)NC(=O)c1ncccc1[O-] ZINC001114911471 1221241260 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345.443 2.288 20 0 EEADMM Cc1cscc1C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016372113 1226404538 /nfs/dbraw/zinc/40/45/38/1226404538.db2.gz VDVWOBRIPYLWEZ-UHFFFAOYSA-N -1 1 345.424 2.190 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001016427321 1226467299 /nfs/dbraw/zinc/46/72/99/1226467299.db2.gz GBKZLCQNSQCLJE-WLYUNCDWSA-N -1 1 343.427 2.253 20 0 EEADMM CC[C@@H](F)C(=O)N1CCC(C2(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017154456 1227178114 /nfs/dbraw/zinc/17/81/14/1227178114.db2.gz QAZZZKSIWJTJQR-CYBMUJFWSA-N -1 1 349.406 2.036 20 0 EEADMM CC[C@]1(C)C[C@H]1C(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1 ZINC001017400248 1227389609 /nfs/dbraw/zinc/38/96/09/1227389609.db2.gz LAXWEZPSOPNFFK-IFXJQAMLSA-N -1 1 343.427 2.112 20 0 EEADMM COc1cccc([C@@H](C)N2CC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001038183612 1229679871 /nfs/dbraw/zinc/67/98/71/1229679871.db2.gz KVHGRUUONCGDGE-UKRRQHHQSA-N -1 1 341.411 2.361 20 0 EEADMM O=C(NC[C@@H]1CCN1[C@@H]1CCc2c1cccc2F)c1ncccc1[O-] ZINC001038184074 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20 0 EEADMM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cnc(C2CC2)[n-]c1=O ZINC000900723989 1234711219 /nfs/dbraw/zinc/71/12/19/1234711219.db2.gz TVFHDHFRFVTIEG-AWEZNQCLSA-N -1 1 338.411 2.458 20 0 EEADMM COc1ccc(O[C@H](C)CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000900867563 1234928603 /nfs/dbraw/zinc/92/86/03/1234928603.db2.gz TYTZOHASRHLZQM-LLVKDONJSA-N -1 1 343.383 2.266 20 0 EEADMM O=C(OCc1nnc(C2CC2)o1)c1nn(-c2ccccc2)cc1[O-] ZINC000801202555 1235213350 /nfs/dbraw/zinc/21/33/50/1235213350.db2.gz FSQBCTPEWZEVIC-UHFFFAOYSA-N -1 1 326.312 2.195 20 0 EEADMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc([S@@](C)=O)cc1 ZINC000901208485 1235390359 /nfs/dbraw/zinc/39/03/59/1235390359.db2.gz RSCDWYDGSVYUQF-CCGUKBGLSA-N -1 1 345.424 2.288 20 0 EEADMM Cc1nnc([C@@H](C)OC(=O)c2nn(-c3ccc(C)cc3)cc2[O-])o1 ZINC000801372381 1235469209 /nfs/dbraw/zinc/46/92/09/1235469209.db2.gz YWQMCZUPBFENDB-SNVBAGLBSA-N -1 1 328.328 2.496 20 0 EEADMM CCOC(=O)COC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000801411052 1235537035 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CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(CC)c2O)CC1 ZINC000901960638 1236725042 /nfs/dbraw/zinc/72/50/42/1236725042.db2.gz WJVUUVOGKFXVEE-UHFFFAOYSA-N -1 1 327.402 2.182 20 0 EEADMM Cc1cccc(OC[C@@H](O)CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902179437 1237173926 /nfs/dbraw/zinc/17/39/26/1237173926.db2.gz UWUDNYBKJRDSES-DANTVBBOSA-N -1 1 331.368 2.215 20 0 EEADMM C[C@H](C(=O)[O-])C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000902265282 1237310402 /nfs/dbraw/zinc/31/04/02/1237310402.db2.gz XKGMDWBIQMNIGQ-JOYOIKCWSA-N -1 1 332.322 2.145 20 0 EEADMM COC(=O)c1cc(Br)c([O-])c(NC[C@@H](O)C(C)C)c1 ZINC001253770948 1237828864 /nfs/dbraw/zinc/82/88/64/1237828864.db2.gz CPTWHZSAYILVLH-LLVKDONJSA-N -1 1 332.194 2.370 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001000541266 1240484951 /nfs/dbraw/zinc/48/49/51/1240484951.db2.gz HMROXMGTVQTDNQ-RBSFLKMASA-N -1 1 349.479 2.053 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2[C@H]1CCN2Cc1cscn1 ZINC001049435658 1240907810 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ZINC001609014311 1351814671 /nfs/dbraw/zinc/81/46/71/1351814671.db2.gz ZQPNVDAOPRTMQP-OAHLLOKOSA-N -1 1 328.299 2.326 20 0 EEADMM O=Cc1ccc(-c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])c(O)c2)o1 ZINC001609048618 1351823242 /nfs/dbraw/zinc/82/32/42/1351823242.db2.gz HUVOCJUSJNJYRD-GWCFXTLKSA-N -1 1 347.298 2.102 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001609064648 1351828511 /nfs/dbraw/zinc/82/85/11/1351828511.db2.gz KMKRMSHQJGJRCD-UHFFFAOYSA-N -1 1 340.318 2.217 20 0 EEADMM CC(=O)Nc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001609064648 1351828514 /nfs/dbraw/zinc/82/85/14/1351828514.db2.gz KMKRMSHQJGJRCD-UHFFFAOYSA-N -1 1 340.318 2.217 20 0 EEADMM CC(=O)c1ccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3)cc1 ZINC001609067010 1351830007 /nfs/dbraw/zinc/83/00/07/1351830007.db2.gz ILFYTFZNUXZXSO-UHFFFAOYSA-N -1 1 349.394 2.158 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609081542 1351833976 /nfs/dbraw/zinc/83/39/76/1351833976.db2.gz WAYQOHFABDIGNM-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)(C)c1ccccc1OCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609081542 1351833981 /nfs/dbraw/zinc/83/39/81/1351833981.db2.gz WAYQOHFABDIGNM-UHFFFAOYSA-N -1 1 339.403 2.445 20 0 EEADMM CC(C)C1(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001609091937 1351839240 /nfs/dbraw/zinc/83/92/40/1351839240.db2.gz XGJYZWQWXFESJW-UHFFFAOYSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609152651 1351864412 /nfs/dbraw/zinc/86/44/12/1351864412.db2.gz HVHFEFUHLQVHBE-APPZFPTMSA-N -1 1 343.284 2.419 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609152651 1351864413 /nfs/dbraw/zinc/86/44/13/1351864413.db2.gz HVHFEFUHLQVHBE-APPZFPTMSA-N -1 1 343.284 2.419 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)oc2C)cs1 ZINC001609253970 1351910378 /nfs/dbraw/zinc/91/03/78/1351910378.db2.gz DAVNWFWALHNJSZ-SSDOTTSWSA-N -1 1 332.389 2.278 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001609253970 1351910383 /nfs/dbraw/zinc/91/03/83/1351910383.db2.gz DAVNWFWALHNJSZ-SSDOTTSWSA-N -1 1 332.389 2.278 20 0 EEADMM CN(Cc1ccc(Br)o1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609278759 1351920016 /nfs/dbraw/zinc/92/00/16/1351920016.db2.gz VTCKXXWXIBDIDS-UHFFFAOYSA-N -1 1 335.165 2.254 20 0 EEADMM CN(Cc1ccc(Br)o1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609278759 1351920020 /nfs/dbraw/zinc/92/00/20/1351920020.db2.gz VTCKXXWXIBDIDS-UHFFFAOYSA-N -1 1 335.165 2.254 20 0 EEADMM COc1ccc(C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001609353867 1351943432 /nfs/dbraw/zinc/94/34/32/1351943432.db2.gz XVTGGOIPALJRNW-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001609353867 1351943436 /nfs/dbraw/zinc/94/34/36/1351943436.db2.gz XVTGGOIPALJRNW-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC001609356328 1351945345 /nfs/dbraw/zinc/94/53/45/1351945345.db2.gz QJSYEBJABZGJID-UHFFFAOYSA-N -1 1 334.332 2.433 20 0 EEADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)c1ccccc1 ZINC001609379470 1351951994 /nfs/dbraw/zinc/95/19/94/1351951994.db2.gz KUKCUJYCCXDDFM-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)c1ccccc1 ZINC001609379470 1351951998 /nfs/dbraw/zinc/95/19/98/1351951998.db2.gz KUKCUJYCCXDDFM-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cc(N2CCO[C@H](c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001609405776 1351963351 /nfs/dbraw/zinc/96/33/51/1351963351.db2.gz XWIKCAWLOBSQSU-AWEZNQCLSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1cc(N2CCO[C@H](c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001609405776 1351963352 /nfs/dbraw/zinc/96/33/52/1351963352.db2.gz XWIKCAWLOBSQSU-AWEZNQCLSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1nccn1CCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001609457336 1351984951 /nfs/dbraw/zinc/98/49/51/1351984951.db2.gz MURXLYVOCAGLCC-UHFFFAOYSA-N -1 1 349.398 2.167 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2C[C@@H]2C)c1-c1nn[n-]n1 ZINC001609458171 1351985707 /nfs/dbraw/zinc/98/57/07/1351985707.db2.gz XNLNPYZXYBLDNM-GXFFZTMASA-N -1 1 338.371 2.060 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC001609490210 1351996186 /nfs/dbraw/zinc/99/61/86/1351996186.db2.gz ILWTVWPGLDWKHJ-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC001609490210 1351996187 /nfs/dbraw/zinc/99/61/87/1351996187.db2.gz ILWTVWPGLDWKHJ-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(N[C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1c([O-])cccc1F ZINC001609542733 1352010352 /nfs/dbraw/zinc/01/03/52/1352010352.db2.gz FFEINIKONAYMBC-CYBMUJFWSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001609543040 1352011034 /nfs/dbraw/zinc/01/10/34/1352011034.db2.gz KTNDJDMPHHDVNC-GFCCVEGCSA-N -1 1 338.396 2.229 20 0 EEADMM O=C(N[C@@H]1CCSc2ccccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001609543040 1352011040 /nfs/dbraw/zinc/01/10/40/1352011040.db2.gz KTNDJDMPHHDVNC-GFCCVEGCSA-N -1 1 338.396 2.229 20 0 EEADMM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)[nH]n1 ZINC001331999313 1335701567 /nfs/dbraw/zinc/70/15/67/1335701567.db2.gz DNXYAFZBNLOLJP-MRVPVSSYSA-N -1 1 349.243 2.329 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001609560871 1352016730 /nfs/dbraw/zinc/01/67/30/1352016730.db2.gz PALDYGAAIIFENX-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001609560871 1352016734 /nfs/dbraw/zinc/01/67/34/1352016734.db2.gz PALDYGAAIIFENX-UHFFFAOYSA-N -1 1 346.394 2.491 20 0 EEADMM O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609577786 1352024715 /nfs/dbraw/zinc/02/47/15/1352024715.db2.gz PVRRMCPCUXCGAM-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C1Nc2cc(-c3nn[nH]n3)ccc2C1=Cc1cc(F)c([O-])c(F)c1 ZINC001609590517 1352028951 /nfs/dbraw/zinc/02/89/51/1352028951.db2.gz ZWEAQSXENFYHKF-KMKOMSMNSA-N -1 1 341.277 2.343 20 0 EEADMM O=C(CCc1nc2ccccc2s1)N1CCC(c2nn[n-]n2)CC1 ZINC001334261176 1336229801 /nfs/dbraw/zinc/22/98/01/1336229801.db2.gz UXHPRNBELHJZAH-UHFFFAOYSA-N -1 1 342.428 2.148 20 0 EEADMM CC(C)=CCC[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609682210 1352057668 /nfs/dbraw/zinc/05/76/68/1352057668.db2.gz VUYKSFIBEYMPPQ-CABCVRRESA-N -1 1 325.453 2.312 20 0 EEADMM CC(C)(N)c1noc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC001609678442 1352056873 /nfs/dbraw/zinc/05/68/73/1352056873.db2.gz KIELFMVFWKPPST-STQMWFEESA-N -1 1 336.436 2.119 20 0 EEADMM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC001609745154 1352074728 /nfs/dbraw/zinc/07/47/28/1352074728.db2.gz CFRACWMJPMRUDN-VNQPRFMTSA-N -1 1 330.428 2.050 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCOC1)c1cnc(Cl)cc1C(F)(F)F ZINC001336917896 1336617213 /nfs/dbraw/zinc/61/72/13/1336617213.db2.gz DQJSOXZVBRCNBC-ZETCQYMHSA-N -1 1 344.742 2.069 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC001337450058 1336703241 /nfs/dbraw/zinc/70/32/41/1336703241.db2.gz DSNCCFMERILDKT-RKDXNWHRSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@H](Oc1ccc(CNCC(=O)Nc2cccc(F)c2)cc1)C(=O)[O-] ZINC001609801914 1352088387 /nfs/dbraw/zinc/08/83/87/1352088387.db2.gz TZIAZIJSUBZFHV-LBPRGKRZSA-N -1 1 346.358 2.406 20 0 EEADMM C[C@@H]1[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[C@H]1c1ccccc1 ZINC001609831165 1352095760 /nfs/dbraw/zinc/09/57/60/1352095760.db2.gz CZFHQOSEKYRBHI-ZZCKCESHSA-N -1 1 330.428 2.044 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc3ccc(F)cc32)CCN1CCC(=O)[O-] ZINC001609869988 1352107650 /nfs/dbraw/zinc/10/76/50/1352107650.db2.gz ZZXDGUZLZBOWDP-LLVKDONJSA-N -1 1 334.347 2.193 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001339800107 1337074721 /nfs/dbraw/zinc/07/47/21/1337074721.db2.gz CVXPLXZDSFJAQQ-MFKMUULPSA-N -1 1 349.822 2.241 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001609891605 1352112231 /nfs/dbraw/zinc/11/22/31/1352112231.db2.gz NBEWFXXKKFLLMI-ZETCQYMHSA-N -1 1 326.150 2.375 20 0 EEADMM Cn1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c(-c2ccoc2)n1 ZINC001344070267 1337364316 /nfs/dbraw/zinc/36/43/16/1337364316.db2.gz ZHMUZUVSQMOYOL-UHFFFAOYSA-N -1 1 342.307 2.131 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CC[C@@H](OCCC(C)C)C1 ZINC001347840997 1337522346 /nfs/dbraw/zinc/52/23/46/1337522346.db2.gz ICSZIDRGOZJBDC-LLVKDONJSA-N -1 1 325.434 2.057 20 0 EEADMM CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001610014998 1352141341 /nfs/dbraw/zinc/14/13/41/1352141341.db2.gz LZAYJFYMJBVTQD-HNNXBMFYSA-N -1 1 326.418 2.253 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1ccc(C(=O)[O-])cc1F ZINC001610019822 1352142612 /nfs/dbraw/zinc/14/26/12/1352142612.db2.gz WAZHEHMNPDNIFG-UONOGXRCSA-N -1 1 339.363 2.066 20 0 EEADMM COc1cc(CN(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc(OC)c1 ZINC001350871265 1337764373 /nfs/dbraw/zinc/76/43/73/1337764373.db2.gz BPNFKBHMPYPNPP-UHFFFAOYSA-N -1 1 349.412 2.069 20 0 EEADMM Cc1ccc2oc(N(C)CCNC(=O)c3ncccc3[O-])nc2c1 ZINC001100070787 1337978443 /nfs/dbraw/zinc/97/84/43/1337978443.db2.gz BBHITUDEYBRABY-UHFFFAOYSA-N -1 1 326.356 2.103 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n[nH]1 ZINC001610459387 1352226327 /nfs/dbraw/zinc/22/63/27/1352226327.db2.gz PGHKYEAOSFYNPC-YPMHNXCESA-N -1 1 336.436 2.182 20 0 EEADMM Cc1cc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC001610461751 1352226639 /nfs/dbraw/zinc/22/66/39/1352226639.db2.gz OBUZSCVHLSARAD-GOEBONIOSA-N -1 1 328.368 2.202 20 0 EEADMM Cc1ccc(CN(C(=O)CN2CCC(CC(=O)[O-])CC2)C2CC2)o1 ZINC001610500931 1352234333 /nfs/dbraw/zinc/23/43/33/1352234333.db2.gz NTWCBDYTAKPVFX-UHFFFAOYSA-N -1 1 334.416 2.266 20 0 EEADMM Cc1ncccc1CN1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001610566503 1352246075 /nfs/dbraw/zinc/24/60/75/1352246075.db2.gz KBXAGCIZSGRIKZ-HNNXBMFYSA-N -1 1 349.431 2.286 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC001610666838 1352258875 /nfs/dbraw/zinc/25/88/75/1352258875.db2.gz KSXSFSDQVPJNOT-INIZCTEOSA-N -1 1 342.395 2.427 20 0 EEADMM CC(C)c1ccoc1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001429225988 1339841523 /nfs/dbraw/zinc/84/15/23/1339841523.db2.gz NDJWOPOIVSVKSR-UHFFFAOYSA-N -1 1 331.372 2.006 20 0 EEADMM O=Cc1cccc(OCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001610886735 1352291281 /nfs/dbraw/zinc/29/12/81/1352291281.db2.gz ORHXYFZDILZWAC-UHFFFAOYSA-N -1 1 339.307 2.091 20 0 EEADMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000013938855 1352319541 /nfs/dbraw/zinc/31/95/41/1352319541.db2.gz WAJPCENAFZPWSM-UHFFFAOYSA-N -1 1 346.619 2.488 20 0 EEADMM CC1(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)CCCCC1 ZINC001431869800 1340772404 /nfs/dbraw/zinc/77/24/04/1340772404.db2.gz QTDPBWZKJSEASQ-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1ccoc1C(=O)NC1(CNC(=O)c2ncccc2[O-])CCCC1 ZINC001432823652 1341403907 /nfs/dbraw/zinc/40/39/07/1341403907.db2.gz GMYKETZQYSMDJI-UHFFFAOYSA-N -1 1 343.383 2.161 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CC[C@@H]3c3ccc(F)cc3)ccnc1-2 ZINC001434725532 1341928005 /nfs/dbraw/zinc/92/80/05/1341928005.db2.gz MLRIBPIETIDIBV-OAHLLOKOSA-N -1 1 325.347 2.460 20 0 EEADMM C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434772706 1341938226 /nfs/dbraw/zinc/93/82/26/1341938226.db2.gz JFTWVIGOINZOIF-RHYQMDGZSA-N -1 1 335.370 2.416 20 0 EEADMM COc1cc(Cl)c(F)c(C(=O)[N-]c2nn3cnnc3s2)c1 ZINC001557961195 1342461428 /nfs/dbraw/zinc/46/14/28/1342461428.db2.gz UMSDHVGSCMOEDV-UHFFFAOYSA-N -1 1 327.728 2.239 20 0 EEADMM Cc1ccc(O)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC001587309394 1343516555 /nfs/dbraw/zinc/51/65/55/1343516555.db2.gz NUGLERUYWFWSHI-UHFFFAOYSA-N -1 1 326.312 2.011 20 0 EEADMM CCC(=O)N[C@H]1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576477385 1344021896 /nfs/dbraw/zinc/02/18/96/1344021896.db2.gz IYLAZJSDRGSXRR-XYPYZODXSA-N -1 1 349.464 2.129 20 0 EEADMM CN[C@@H](C(=O)[N-]O[C@@H](CO)C(C)C)c1cccc(Cl)c1Cl ZINC001578567340 1344289043 /nfs/dbraw/zinc/28/90/43/1344289043.db2.gz AVNZWNUGCWXKDO-WCQYABFASA-N -1 1 335.231 2.319 20 0 EEADMM CN(C(=O)Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001578881765 1344313760 /nfs/dbraw/zinc/31/37/60/1344313760.db2.gz MEULJNAGJRJZKD-UHFFFAOYSA-N -1 1 328.763 2.121 20 0 EEADMM CN(C(=O)Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001578881765 1344313770 /nfs/dbraw/zinc/31/37/70/1344313770.db2.gz MEULJNAGJRJZKD-UHFFFAOYSA-N -1 1 328.763 2.121 20 0 EEADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001579791808 1344415352 /nfs/dbraw/zinc/41/53/52/1344415352.db2.gz VCSDMHHMXCTEAH-UHFFFAOYSA-N -1 1 329.385 2.221 20 0 EEADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001579791808 1344415354 /nfs/dbraw/zinc/41/53/54/1344415354.db2.gz VCSDMHHMXCTEAH-UHFFFAOYSA-N -1 1 329.385 2.221 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001580073446 1344465874 /nfs/dbraw/zinc/46/58/74/1344465874.db2.gz ALONJXLVKSJOIH-QWHCGFSZSA-N -1 1 341.396 2.223 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001580073446 1344465881 /nfs/dbraw/zinc/46/58/81/1344465881.db2.gz ALONJXLVKSJOIH-QWHCGFSZSA-N -1 1 341.396 2.223 20 0 EEADMM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580226509 1344493853 /nfs/dbraw/zinc/49/38/53/1344493853.db2.gz WFEHVADDKVPXSF-MWLCHTKSSA-N -1 1 333.421 2.057 20 0 EEADMM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580226509 1344493854 /nfs/dbraw/zinc/49/38/54/1344493854.db2.gz WFEHVADDKVPXSF-MWLCHTKSSA-N -1 1 333.421 2.057 20 0 EEADMM CSc1cnc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)nc1 ZINC001580236797 1344496190 /nfs/dbraw/zinc/49/61/90/1344496190.db2.gz YRLSUAILODSSGK-UHFFFAOYSA-N -1 1 335.343 2.269 20 0 EEADMM CSc1cnc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)nc1 ZINC001580236797 1344496192 /nfs/dbraw/zinc/49/61/92/1344496192.db2.gz YRLSUAILODSSGK-UHFFFAOYSA-N -1 1 335.343 2.269 20 0 EEADMM Clc1sc(N2CC(Oc3ccccc3)C2)nc1-c1nn[n-]n1 ZINC001581746780 1344659713 /nfs/dbraw/zinc/65/97/13/1344659713.db2.gz LSJQWFGINKYKIC-UHFFFAOYSA-N -1 1 334.792 2.244 20 0 EEADMM Clc1nccc(CNCc2nc(-c3nnn[n-]3)cs2)c1Cl ZINC001581746587 1344660082 /nfs/dbraw/zinc/66/00/82/1344660082.db2.gz HKLKCCUXXVYLHQ-UHFFFAOYSA-N -1 1 342.215 2.315 20 0 EEADMM Clc1nccc(CNCc2nc(-c3nn[n-]n3)cs2)c1Cl ZINC001581746587 1344660089 /nfs/dbraw/zinc/66/00/89/1344660089.db2.gz HKLKCCUXXVYLHQ-UHFFFAOYSA-N -1 1 342.215 2.315 20 0 EEADMM O=C(Cc1cccc(Cl)c1Cl)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582146705 1344706435 /nfs/dbraw/zinc/70/64/35/1344706435.db2.gz FUKRZEGRFDOIMN-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(Cc1cccc(Cl)c1Cl)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582146705 1344706440 /nfs/dbraw/zinc/70/64/40/1344706440.db2.gz FUKRZEGRFDOIMN-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1cccc(-c2nnn[n-]2)n1 ZINC001582337790 1344735881 /nfs/dbraw/zinc/73/58/81/1344735881.db2.gz UJIVPEGTVNATCF-IUODEOHRSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1cccc(-c2nn[n-]n2)n1 ZINC001582337790 1344735885 /nfs/dbraw/zinc/73/58/85/1344735885.db2.gz UJIVPEGTVNATCF-IUODEOHRSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1nccc(Cl)c1F ZINC001582551528 1344761667 /nfs/dbraw/zinc/76/16/67/1344761667.db2.gz OEJBNCNKDSNRFK-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1scnc1C1CC1 ZINC001582551627 1344762033 /nfs/dbraw/zinc/76/20/33/1344762033.db2.gz UAVAAYRKEVDJRE-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1csc2ccccc12 ZINC001582560639 1344763364 /nfs/dbraw/zinc/76/33/64/1344763364.db2.gz GYQGBEACDUEKDK-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1csc2ccccc12 ZINC001582560639 1344763368 /nfs/dbraw/zinc/76/33/68/1344763368.db2.gz GYQGBEACDUEKDK-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1Cc1ccccc1F ZINC001582806618 1344794582 /nfs/dbraw/zinc/79/45/82/1344794582.db2.gz RFVTVDBEMXRZHK-UHFFFAOYSA-N -1 1 339.252 2.235 20 0 EEADMM COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000091729007 1357275208 /nfs/dbraw/zinc/27/52/08/1357275208.db2.gz SAYGWLHXJYAHNI-GXSJLCMTSA-N -1 1 342.189 2.226 20 0 EEADMM Brc1ccc(NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001588320236 1348884158 /nfs/dbraw/zinc/88/41/58/1348884158.db2.gz JCHMANKCBOWFTM-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccc(NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001588320236 1348884165 /nfs/dbraw/zinc/88/41/65/1348884165.db2.gz JCHMANKCBOWFTM-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC(=O)N[C@@H](C)CCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001588835249 1348938924 /nfs/dbraw/zinc/93/89/24/1348938924.db2.gz CKKRMHAVXYCRJP-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CC(=O)N[C@@H](C)CCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001588835249 1348938927 /nfs/dbraw/zinc/93/89/27/1348938927.db2.gz CKKRMHAVXYCRJP-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001588920130 1348948119 /nfs/dbraw/zinc/94/81/19/1348948119.db2.gz LSMPDISFOXSAJP-UHFFFAOYSA-N -1 1 328.353 2.488 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001588920130 1348948121 /nfs/dbraw/zinc/94/81/21/1348948121.db2.gz LSMPDISFOXSAJP-UHFFFAOYSA-N -1 1 328.353 2.488 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001589249749 1348975243 /nfs/dbraw/zinc/97/52/43/1348975243.db2.gz YOLAKERWQLTDQX-MRVPVSSYSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001589249749 1348975245 /nfs/dbraw/zinc/97/52/45/1348975245.db2.gz YOLAKERWQLTDQX-MRVPVSSYSA-N -1 1 339.350 2.192 20 0 EEADMM CC(C)(Nc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001589326797 1348984216 /nfs/dbraw/zinc/98/42/16/1348984216.db2.gz KRUFKXDYBBGKSA-UHFFFAOYSA-N -1 1 338.371 2.402 20 0 EEADMM CC(C)O[C@@H](Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccccc1 ZINC001589738337 1349026201 /nfs/dbraw/zinc/02/62/01/1349026201.db2.gz UWXIJCBIRAFCMC-HNNXBMFYSA-N -1 1 325.372 2.195 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001589792524 1349044961 /nfs/dbraw/zinc/04/49/61/1349044961.db2.gz DKLQDUMVZPKIIO-SNVBAGLBSA-N -1 1 328.401 2.133 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001589792524 1349044965 /nfs/dbraw/zinc/04/49/65/1349044965.db2.gz DKLQDUMVZPKIIO-SNVBAGLBSA-N -1 1 328.401 2.133 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1ccc(-n2cccn2)cc1 ZINC001589980063 1349091360 /nfs/dbraw/zinc/09/13/60/1349091360.db2.gz HDGAWXHKZOHBJN-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1ccc(-n2cccn2)cc1 ZINC001589980063 1349091367 /nfs/dbraw/zinc/09/13/67/1349091367.db2.gz HDGAWXHKZOHBJN-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC001590104171 1349157921 /nfs/dbraw/zinc/15/79/21/1349157921.db2.gz UZBXQQZHZOGXEQ-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM CC1(C)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC001590104171 1349157927 /nfs/dbraw/zinc/15/79/27/1349157927.db2.gz UZBXQQZHZOGXEQ-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM C[C@@H]1C[C@H](CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590191625 1349193394 /nfs/dbraw/zinc/19/33/94/1349193394.db2.gz RLXGXCHGRWYXJP-GHMZBOCLSA-N -1 1 331.424 2.391 20 0 EEADMM C[C@@H]1C[C@H](CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590191625 1349193403 /nfs/dbraw/zinc/19/34/03/1349193403.db2.gz RLXGXCHGRWYXJP-GHMZBOCLSA-N -1 1 331.424 2.391 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590216078 1349204613 /nfs/dbraw/zinc/20/46/13/1349204613.db2.gz YBWOZUMHRNVTFQ-GXTWGEPZSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590216078 1349204618 /nfs/dbraw/zinc/20/46/18/1349204618.db2.gz YBWOZUMHRNVTFQ-GXTWGEPZSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1CCC[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)O1 ZINC001590239776 1349217641 /nfs/dbraw/zinc/21/76/41/1349217641.db2.gz BNTPMELKFPCSAF-QWRGUYRKSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCC[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)O1 ZINC001590239776 1349217646 /nfs/dbraw/zinc/21/76/46/1349217646.db2.gz BNTPMELKFPCSAF-QWRGUYRKSA-N -1 1 325.376 2.179 20 0 EEADMM C[C@H]1CCC[C@H](C)N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590243443 1349221652 /nfs/dbraw/zinc/22/16/52/1349221652.db2.gz KNKMTEALOWLJBX-UWVGGRQHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCC[C@H](C)N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590243443 1349221661 /nfs/dbraw/zinc/22/16/61/1349221661.db2.gz KNKMTEALOWLJBX-UWVGGRQHSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)C1 ZINC001590245437 1349224109 /nfs/dbraw/zinc/22/41/09/1349224109.db2.gz XXLHATMCIIIWED-NEPJUHHUSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590252253 1349226694 /nfs/dbraw/zinc/22/66/94/1349226694.db2.gz KLAOSSUUQIQYDK-NXEZZACHSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590252253 1349226698 /nfs/dbraw/zinc/22/66/98/1349226698.db2.gz KLAOSSUUQIQYDK-NXEZZACHSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3csc(-c4nn[n-]n4)c3)ncc2C1 ZINC001590280655 1349247386 /nfs/dbraw/zinc/24/73/86/1349247386.db2.gz ODRWBLQUPDNQKW-MRVPVSSYSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590342286 1349276509 /nfs/dbraw/zinc/27/65/09/1349276509.db2.gz FCDPCIZSTOWZQE-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590342286 1349276515 /nfs/dbraw/zinc/27/65/15/1349276515.db2.gz FCDPCIZSTOWZQE-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@@H](C)CN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590408707 1349311776 /nfs/dbraw/zinc/31/17/76/1349311776.db2.gz BJFSKXDJLUMYTG-SNVBAGLBSA-N -1 1 330.396 2.220 20 0 EEADMM CC[C@@H](C)CN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590408707 1349311780 /nfs/dbraw/zinc/31/17/80/1349311780.db2.gz BJFSKXDJLUMYTG-SNVBAGLBSA-N -1 1 330.396 2.220 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)o2)n1 ZINC001590415382 1349313808 /nfs/dbraw/zinc/31/38/08/1349313808.db2.gz HDDOHUZSFTXQKL-SECBINFHSA-N -1 1 328.332 2.284 20 0 EEADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001590415382 1349313818 /nfs/dbraw/zinc/31/38/18/1349313818.db2.gz HDDOHUZSFTXQKL-SECBINFHSA-N -1 1 328.332 2.284 20 0 EEADMM CC[C@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(OC)c1OC ZINC001590471620 1349345754 /nfs/dbraw/zinc/34/57/54/1349345754.db2.gz KHCUEPJVGPRTKG-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(OC)c1OC ZINC001590471620 1349345761 /nfs/dbraw/zinc/34/57/61/1349345761.db2.gz KHCUEPJVGPRTKG-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C(OC)OC ZINC001590471661 1349345838 /nfs/dbraw/zinc/34/58/38/1349345838.db2.gz LFGVDXPHTNRPFO-MRVPVSSYSA-N -1 1 346.313 2.090 20 0 EEADMM CC[C@@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C(OC)OC ZINC001590471661 1349345844 /nfs/dbraw/zinc/34/58/44/1349345844.db2.gz LFGVDXPHTNRPFO-MRVPVSSYSA-N -1 1 346.313 2.090 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C12CCC2 ZINC001590789982 1349400901 /nfs/dbraw/zinc/40/09/01/1349400901.db2.gz BRNAUOKCWFTWNL-STQMWFEESA-N -1 1 341.419 2.294 20 0 EEADMM CCO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C12CCC2 ZINC001590789982 1349400913 /nfs/dbraw/zinc/40/09/13/1349400913.db2.gz BRNAUOKCWFTWNL-STQMWFEESA-N -1 1 341.419 2.294 20 0 EEADMM CCS[C@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001590851252 1349405290 /nfs/dbraw/zinc/40/52/90/1349405290.db2.gz JXXFGMZTYXIBLC-VIFPVBQESA-N -1 1 326.451 2.348 20 0 EEADMM CCS[C@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001590851252 1349405296 /nfs/dbraw/zinc/40/52/96/1349405296.db2.gz JXXFGMZTYXIBLC-VIFPVBQESA-N -1 1 326.451 2.348 20 0 EEADMM CCc1nc(NC[C@H]2CCCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001590917859 1349412222 /nfs/dbraw/zinc/41/22/22/1349412222.db2.gz CDZYYXGBZOYNJA-LLVKDONJSA-N -1 1 329.408 2.123 20 0 EEADMM CCc1nc(NC[C@H]2CCCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001590917859 1349412228 /nfs/dbraw/zinc/41/22/28/1349412228.db2.gz CDZYYXGBZOYNJA-LLVKDONJSA-N -1 1 329.408 2.123 20 0 EEADMM CN(C(=O)c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001590994163 1349428958 /nfs/dbraw/zinc/42/89/58/1349428958.db2.gz IGHOGFCGKFZFOG-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994163 1349428967 /nfs/dbraw/zinc/42/89/67/1349428967.db2.gz IGHOGFCGKFZFOG-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM COC1(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CCCCCC1 ZINC001591337158 1349463753 /nfs/dbraw/zinc/46/37/53/1349463753.db2.gz MHAWJYLCZNQSNO-UHFFFAOYSA-N -1 1 336.421 2.310 20 0 EEADMM COC1(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CCCCCC1 ZINC001591337158 1349463758 /nfs/dbraw/zinc/46/37/58/1349463758.db2.gz MHAWJYLCZNQSNO-UHFFFAOYSA-N -1 1 336.421 2.310 20 0 EEADMM COCCOc1ccccc1CNc1snc(C)c1-c1nn[n-]n1 ZINC001591445699 1349484454 /nfs/dbraw/zinc/48/44/54/1349484454.db2.gz DSZJXMQPRZGVGE-UHFFFAOYSA-N -1 1 346.416 2.269 20 0 EEADMM COc1ccccc1C(C)=CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591646779 1349524997 /nfs/dbraw/zinc/52/49/97/1349524997.db2.gz LKHXVPGXNJLNQO-ZHACJKMWSA-N -1 1 336.355 2.312 20 0 EEADMM COc1ccccc1C(C)=CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591646779 1349525004 /nfs/dbraw/zinc/52/50/04/1349525004.db2.gz LKHXVPGXNJLNQO-ZHACJKMWSA-N -1 1 336.355 2.312 20 0 EEADMM Cc1c2cccc(F)c2oc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591812304 1349538073 /nfs/dbraw/zinc/53/80/73/1349538073.db2.gz CNXQNCXFDMKHOF-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1c2cccc(F)c2oc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591812304 1349538077 /nfs/dbraw/zinc/53/80/77/1349538077.db2.gz CNXQNCXFDMKHOF-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1cc(N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc(-c2nnn[n-]2)n1 ZINC001591999765 1349581800 /nfs/dbraw/zinc/58/18/00/1349581800.db2.gz SXRXRFKZDLFHFP-NSHDSACASA-N -1 1 342.325 2.116 20 0 EEADMM Cc1cc(N2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc(-c2nn[n-]n2)n1 ZINC001591999765 1349581801 /nfs/dbraw/zinc/58/18/01/1349581801.db2.gz SXRXRFKZDLFHFP-NSHDSACASA-N -1 1 342.325 2.116 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nnn[n-]1 ZINC001592432503 1349631682 /nfs/dbraw/zinc/63/16/82/1349631682.db2.gz AEKJCWCTQZYXLI-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3cc(F)ccc3o2)c1-c1nn[n-]n1 ZINC001592432503 1349631684 /nfs/dbraw/zinc/63/16/84/1349631684.db2.gz AEKJCWCTQZYXLI-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1nsc(NC/C=C/CNC(=O)[C@@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592489182 1349636849 /nfs/dbraw/zinc/63/68/49/1349636849.db2.gz LLRXGHVMPCSVBV-PORFMDCZSA-N -1 1 349.464 2.008 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCOc2ccccc21 ZINC001592503984 1349639963 /nfs/dbraw/zinc/63/99/63/1349639963.db2.gz OAIKGSZCPYJBNT-ZDUSSCGKSA-N -1 1 326.312 2.449 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCOc2ccccc21 ZINC001592503984 1349639965 /nfs/dbraw/zinc/63/99/65/1349639965.db2.gz OAIKGSZCPYJBNT-ZDUSSCGKSA-N -1 1 326.312 2.449 20 0 EEADMM Clc1ccccc1C1(CNc2ncncc2-c2nn[n-]n2)CC1 ZINC001592535747 1349651258 /nfs/dbraw/zinc/65/12/58/1349651258.db2.gz MJCJKBFODQEVLS-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccc(-c2nnn[n-]2)s1 ZINC001592566497 1349659978 /nfs/dbraw/zinc/65/99/78/1349659978.db2.gz BALYOCLEUBHNCY-UHFFFAOYSA-N -1 1 332.389 2.284 20 0 EEADMM Cn1cc(C(=O)OC(C)(C)C)nc1-c1ccc(-c2nn[n-]n2)s1 ZINC001592566497 1349659980 /nfs/dbraw/zinc/65/99/80/1349659980.db2.gz BALYOCLEUBHNCY-UHFFFAOYSA-N -1 1 332.389 2.284 20 0 EEADMM Cn1ccc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc21 ZINC001592581829 1349661743 /nfs/dbraw/zinc/66/17/43/1349661743.db2.gz NZLZHRPXKIXXTG-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)CCS2 ZINC001592653354 1349698915 /nfs/dbraw/zinc/69/89/15/1349698915.db2.gz XLSJLRJWZWYHMX-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)CCS2 ZINC001592653354 1349698919 /nfs/dbraw/zinc/69/89/19/1349698919.db2.gz XLSJLRJWZWYHMX-JTQLQIEISA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc(-n2ccc(NCC[C@@H]3CCOC3)n2)c1-c1nn[n-]n1 ZINC001592654621 1349699154 /nfs/dbraw/zinc/69/91/54/1349699154.db2.gz HYYYHRCLWQCVMG-LLVKDONJSA-N -1 1 343.366 2.030 20 0 EEADMM Fc1cccc(C[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001592653849 1349699290 /nfs/dbraw/zinc/69/92/90/1349699290.db2.gz DPHYMGJQJHMHQU-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001593192236 1349744459 /nfs/dbraw/zinc/74/44/59/1349744459.db2.gz FDEPESJVFXZKJQ-JLIMDTESSA-N -1 1 345.309 2.414 20 0 EEADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001593192236 1349744464 /nfs/dbraw/zinc/74/44/64/1349744464.db2.gz FDEPESJVFXZKJQ-JLIMDTESSA-N -1 1 345.309 2.414 20 0 EEADMM O=C(Nc1ccnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001593255685 1349752010 /nfs/dbraw/zinc/75/20/10/1349752010.db2.gz LWWARCVOCRMRKA-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ccnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001593255685 1349752013 /nfs/dbraw/zinc/75/20/13/1349752013.db2.gz LWWARCVOCRMRKA-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCC2 ZINC001593307998 1349776116 /nfs/dbraw/zinc/77/61/16/1349776116.db2.gz XOMPUKSTGVYIRJ-UHFFFAOYSA-N -1 1 333.398 2.230 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCC2 ZINC001593307998 1349776118 /nfs/dbraw/zinc/77/61/18/1349776118.db2.gz XOMPUKSTGVYIRJ-UHFFFAOYSA-N -1 1 333.398 2.230 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CC(c2ccccc2)C1 ZINC001593329299 1349781596 /nfs/dbraw/zinc/78/15/96/1349781596.db2.gz ISLFUPUVVCKATA-UHFFFAOYSA-N -1 1 341.321 2.385 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CC(c2ccccc2)C1 ZINC001593329299 1349781598 /nfs/dbraw/zinc/78/15/98/1349781598.db2.gz ISLFUPUVVCKATA-UHFFFAOYSA-N -1 1 341.321 2.385 20 0 EEADMM O=Cc1ccc(Oc2cncc(-c3nnn[n-]3)n2)c(Br)c1 ZINC001593415636 1349798545 /nfs/dbraw/zinc/79/85/45/1349798545.db2.gz BZVFZTPGCWXWJE-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1ccc(Oc2cncc(-c3nn[n-]n3)n2)c(Br)c1 ZINC001593415636 1349798546 /nfs/dbraw/zinc/79/85/46/1349798546.db2.gz BZVFZTPGCWXWJE-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM c1cc2c(c(CNc3n[nH]c(C4CC4)c3-c3nnn[n-]3)n1)CCCC2 ZINC001593565701 1349852736 /nfs/dbraw/zinc/85/27/36/1349852736.db2.gz HPEMIVCBVWLAFH-UHFFFAOYSA-N -1 1 336.403 2.353 20 0 EEADMM c1cc2c(c(CNc3n[nH]c(C4CC4)c3-c3nn[n-]n3)n1)CCCC2 ZINC001593565701 1349852738 /nfs/dbraw/zinc/85/27/38/1349852738.db2.gz HPEMIVCBVWLAFH-UHFFFAOYSA-N -1 1 336.403 2.353 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3CC[C@@H](C4CC4)O3)c2-c2nn[n-]n2)cc1 ZINC001593567990 1349854025 /nfs/dbraw/zinc/85/40/25/1349854025.db2.gz JTQVJIZTSZLVJM-KBPBESRZSA-N -1 1 337.387 2.083 20 0 EEADMM c1ccc([C@H]2CN(c3cc(-c4nnn[n-]4)ncn3)CC23CCC3)cc1 ZINC001593574269 1349858658 /nfs/dbraw/zinc/85/86/58/1349858658.db2.gz ZGOITZVSPLRHES-CQSZACIVSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc([C@H]2CN(c3cc(-c4nn[n-]n4)ncn3)CC23CCC3)cc1 ZINC001593574269 1349858663 /nfs/dbraw/zinc/85/86/63/1349858663.db2.gz ZGOITZVSPLRHES-CQSZACIVSA-N -1 1 333.399 2.431 20 0 EEADMM c1cnc(-c2nnn[n-]2)c(NCC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC001593583691 1349864261 /nfs/dbraw/zinc/86/42/61/1349864261.db2.gz FBSIYNIDTBAWSY-CYBMUJFWSA-N -1 1 344.419 2.040 20 0 EEADMM c1cnc(-c2nn[n-]n2)c(NCC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC001593583691 1349864265 /nfs/dbraw/zinc/86/42/65/1349864265.db2.gz FBSIYNIDTBAWSY-CYBMUJFWSA-N -1 1 344.419 2.040 20 0 EEADMM c1nn2cc(CNc3ccc4c(c3)CCC4)cnc2c1-c1nnn[n-]1 ZINC001593591284 1349868915 /nfs/dbraw/zinc/86/89/15/1349868915.db2.gz KPGOEUKFQBLIIS-UHFFFAOYSA-N -1 1 332.371 2.010 20 0 EEADMM c1nn2cc(CNc3ccc4c(c3)CCC4)cnc2c1-c1nn[n-]n1 ZINC001593591284 1349868919 /nfs/dbraw/zinc/86/89/19/1349868919.db2.gz KPGOEUKFQBLIIS-UHFFFAOYSA-N -1 1 332.371 2.010 20 0 EEADMM c1sc(C2CCCC2)nc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001593590340 1349869414 /nfs/dbraw/zinc/86/94/14/1349869414.db2.gz ORWTUBPKDWFCQO-UHFFFAOYSA-N -1 1 329.389 2.350 20 0 EEADMM C[C@@H]1C[C@H](C(=O)Nc2ccccc2Nc2ccncc2)O[C@H]1C(=O)[O-] ZINC001599876398 1349948786 /nfs/dbraw/zinc/94/87/86/1349948786.db2.gz MZOQRJSYQYXWPD-HFBAOOFYSA-N -1 1 341.367 2.064 20 0 EEADMM Cc1cc(C(=O)[O-])nc(N2CCN(Cc3ccccc3C)CC2)n1 ZINC001600126238 1349975259 /nfs/dbraw/zinc/97/52/59/1349975259.db2.gz NUWCVOOKAQVGSM-UHFFFAOYSA-N -1 1 326.400 2.114 20 0 EEADMM Cc1cc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n[nH]1 ZINC001600189721 1349988630 /nfs/dbraw/zinc/98/86/30/1349988630.db2.gz UWEBFZMGNPUFCT-AWEZNQCLSA-N -1 1 339.754 2.385 20 0 EEADMM Cc1ccc([C@H](N)C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC001600380080 1350034891 /nfs/dbraw/zinc/03/48/91/1350034891.db2.gz CFEZMSVOEXTEEG-ROUUACIJSA-N -1 1 340.423 2.363 20 0 EEADMM Cc1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1Cl ZINC001600399381 1350040996 /nfs/dbraw/zinc/04/09/96/1350040996.db2.gz QQSRNMYDVPASJU-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC001600488610 1350063741 /nfs/dbraw/zinc/06/37/41/1350063741.db2.gz AEVOOSACRNYXPB-QGZVFWFLSA-N -1 1 330.388 2.268 20 0 EEADMM Cc1cccc(Cl)c1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600532969 1350075724 /nfs/dbraw/zinc/07/57/24/1350075724.db2.gz DECKRAMTFLZKJN-CYBMUJFWSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1cccc(OC[C@H](O)CN(Cc2oncc2C(=O)[O-])C(C)C)c1 ZINC001600543633 1350077905 /nfs/dbraw/zinc/07/79/05/1350077905.db2.gz BBGLSSSVCAVFED-CQSZACIVSA-N -1 1 348.399 2.332 20 0 EEADMM Cc1nc([C@H](C)N2CCC(Cc3ncc(C(=O)[O-])s3)CC2)n[nH]1 ZINC001600667537 1350113798 /nfs/dbraw/zinc/11/37/98/1350113798.db2.gz XGHIHTBOTRUECS-VIFPVBQESA-N -1 1 335.433 2.284 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC001600785334 1350136557 /nfs/dbraw/zinc/13/65/57/1350136557.db2.gz KOZJMXJMESSWGO-RFAUZJTJSA-N -1 1 345.403 2.002 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC001600906471 1350164869 /nfs/dbraw/zinc/16/48/69/1350164869.db2.gz FPYRKXRGKFIYMU-AWEZNQCLSA-N -1 1 328.368 2.155 20 0 EEADMM N[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001601172222 1350224940 /nfs/dbraw/zinc/22/49/40/1350224940.db2.gz PZSXOLCJBBJXBA-FZMZJTMJSA-N -1 1 344.333 2.322 20 0 EEADMM O=C([O-])[C@H](NCC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC001601323282 1350257302 /nfs/dbraw/zinc/25/73/02/1350257302.db2.gz UQBWQZMUJZKBDS-ZWKOTPCHSA-N -1 1 330.428 2.487 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)CSc3ccncc3)[nH]c21 ZINC001601349859 1350263406 /nfs/dbraw/zinc/26/34/06/1350263406.db2.gz XEDODCIGFTYDES-UHFFFAOYSA-N -1 1 328.353 2.387 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3nc[nH]c3C(F)(F)F)[nH]c21 ZINC001601631598 1350323612 /nfs/dbraw/zinc/32/36/12/1350323612.db2.gz RGMFFQBICQFIRG-UHFFFAOYSA-N -1 1 339.233 2.255 20 0 EEADMM O=C([O-])[C@H]1CC(=O)N(CN2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC001601759685 1350358414 /nfs/dbraw/zinc/35/84/14/1350358414.db2.gz WJXUNSMOJQIHNT-HIFRSBDPSA-N -1 1 334.391 2.286 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(Cc1cn(-c3ccccc3F)nn1)CC2 ZINC001601774944 1350362013 /nfs/dbraw/zinc/36/20/13/1350362013.db2.gz UFUDIXFMQPCBTK-ZDUSSCGKSA-N -1 1 330.363 2.093 20 0 EEADMM O=C([O-])C[C@@H]1CN(CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001601961297 1350406300 /nfs/dbraw/zinc/40/63/00/1350406300.db2.gz FWRHRNBAJZJYFG-CYBMUJFWSA-N -1 1 333.306 2.303 20 0 EEADMM 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/nfs/dbraw/zinc/07/09/43/1351070943.db2.gz IJBXRODBKFPMLY-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM COCCc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001605123107 1351082429 /nfs/dbraw/zinc/08/24/29/1351082429.db2.gz JETBAHPYQMIMOR-UHFFFAOYSA-N -1 1 330.369 2.336 20 0 EEADMM COCCc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001605123107 1351082433 /nfs/dbraw/zinc/08/24/33/1351082433.db2.gz JETBAHPYQMIMOR-UHFFFAOYSA-N -1 1 330.369 2.336 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001605178157 1351096958 /nfs/dbraw/zinc/09/69/58/1351096958.db2.gz CZMZOWASSARIKE-INIZCTEOSA-N -1 1 349.431 2.479 20 0 EEADMM COc1cc(Cn2cc(C)cc(-c3nn[n-]n3)c2=O)ccc1SC ZINC001605222921 1351108712 /nfs/dbraw/zinc/10/87/12/1351108712.db2.gz DIJNXXBTRZCRKE-UHFFFAOYSA-N -1 1 343.412 2.116 20 0 EEADMM COc1ccnc(CSCc2ccc(-c3nnn[n-]3)o2)c1OC ZINC001605337953 1351140125 /nfs/dbraw/zinc/14/01/25/1351140125.db2.gz VXDQFVZGVTWTNA-UHFFFAOYSA-N -1 1 333.373 2.305 20 0 EEADMM COc1ccnc(CSCc2ccc(-c3nn[n-]n3)o2)c1OC ZINC001605337953 1351140128 /nfs/dbraw/zinc/14/01/28/1351140128.db2.gz VXDQFVZGVTWTNA-UHFFFAOYSA-N -1 1 333.373 2.305 20 0 EEADMM CCCOc1ccc(CNC(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001605340985 1351140684 /nfs/dbraw/zinc/14/06/84/1351140684.db2.gz RTVYTNOKQFJTSK-MRXNPFEDSA-N -1 1 336.432 2.181 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cccc2c1ccn2C ZINC001605510818 1351174725 /nfs/dbraw/zinc/17/47/25/1351174725.db2.gz JFWLSSDDVUNBEZ-UHFFFAOYSA-N -1 1 349.354 2.020 20 0 EEADMM CCOC(=O)/C=C\CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001605531512 1351182166 /nfs/dbraw/zinc/18/21/66/1351182166.db2.gz NTUZTVALFIVPLJ-WSNITJDQSA-N -1 1 327.764 2.183 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C)cc3c(C)ccnc23)c1-c1nn[n-]n1 ZINC001605625289 1351203899 /nfs/dbraw/zinc/20/38/99/1351203899.db2.gz UCYMMTSYWBIELJ-UHFFFAOYSA-N -1 1 348.370 2.316 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001605643745 1351208986 /nfs/dbraw/zinc/20/89/86/1351208986.db2.gz UATGHKKEQRAPKP-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001605643745 1351208988 /nfs/dbraw/zinc/20/89/88/1351208988.db2.gz UATGHKKEQRAPKP-UHFFFAOYSA-N -1 1 334.383 2.077 20 0 EEADMM CCO[C@@H]1C[C@@H](NCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[C@@H]1SC ZINC001605651441 1351210162 /nfs/dbraw/zinc/21/01/62/1351210162.db2.gz GRPUPIDMXKBOEZ-HCKVZZMMSA-N -1 1 340.445 2.011 20 0 EEADMM Cc1cc(C)nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC001605651436 1351210172 /nfs/dbraw/zinc/21/01/72/1351210172.db2.gz QFNVUXCIPLNCBP-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM Cc1cc(F)ccc1C[C@@H](C)Nc1ccc(-c2nn[nH]n2)c(N)[nH+]1 ZINC001605683059 1351215397 /nfs/dbraw/zinc/21/53/97/1351215397.db2.gz NFCSRISQFRFXFP-SNVBAGLBSA-N -1 1 327.367 2.335 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2)c(-c2nnn[n-]2)n1 ZINC001605873647 1351243159 /nfs/dbraw/zinc/24/31/59/1351243159.db2.gz FPZZOJTZUYRJQU-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2)c(-c2nn[n-]n2)n1 ZINC001605873647 1351243162 /nfs/dbraw/zinc/24/31/62/1351243162.db2.gz FPZZOJTZUYRJQU-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM CCn1c(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc2ccccc21 ZINC001605905959 1351251334 /nfs/dbraw/zinc/25/13/34/1351251334.db2.gz LSSOVGJQTGQURH-CQSZACIVSA-N -1 1 343.427 2.282 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001605935610 1351256397 /nfs/dbraw/zinc/25/63/97/1351256397.db2.gz TVLPACUYKJSCOP-GOSISDBHSA-N -1 1 348.410 2.380 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001605935610 1351256403 /nfs/dbraw/zinc/25/64/03/1351256403.db2.gz TVLPACUYKJSCOP-GOSISDBHSA-N -1 1 348.410 2.380 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001606012534 1351263557 /nfs/dbraw/zinc/26/35/57/1351263557.db2.gz XUGLHNMZCACHTP-IIAWOOMASA-N -1 1 336.407 2.436 20 0 EEADMM Cc1nsc(NC[C@@]2(CO)C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001606158831 1351279439 /nfs/dbraw/zinc/27/94/39/1351279439.db2.gz PZYMUCSNHWGJJD-BLLLJJGKSA-N -1 1 342.428 2.210 20 0 EEADMM Cn1ncc2c1CCC[C@H]2Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001606276896 1351288738 /nfs/dbraw/zinc/28/87/38/1351288738.db2.gz BTAVKZLRMMYMLS-SSDOTTSWSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1ncc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1C1CC1 ZINC001606276678 1351288771 /nfs/dbraw/zinc/28/87/71/1351288771.db2.gz YMNNIVSRVWLJAG-UHFFFAOYSA-N -1 1 345.313 2.008 20 0 EEADMM Cn1ncc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1C1CC1 ZINC001606276678 1351288773 /nfs/dbraw/zinc/28/87/73/1351288773.db2.gz YMNNIVSRVWLJAG-UHFFFAOYSA-N -1 1 345.313 2.008 20 0 EEADMM COC(=O)[C@H]1[C@@H]2CN([C@H](C(=O)[O-])c3ccccc3C(F)(F)F)C[C@@H]21 ZINC001606514528 1351314580 /nfs/dbraw/zinc/31/45/80/1351314580.db2.gz NOWRDPIYDBJCEH-YGNMPJRFSA-N -1 1 343.301 2.182 20 0 EEADMM CO[C@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001606704407 1351344684 /nfs/dbraw/zinc/34/46/84/1351344684.db2.gz YRBHOFGAIPGJPG-BDJLRTHQSA-N -1 1 340.807 2.151 20 0 EEADMM O=C(NC[C@H]1CCCc2ccccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606735202 1351348949 /nfs/dbraw/zinc/34/89/49/1351348949.db2.gz PQHVHTFDTHVFEU-CYBMUJFWSA-N -1 1 334.383 2.112 20 0 EEADMM O=C(NC[C@H]1CCCc2ccccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606735202 1351348952 /nfs/dbraw/zinc/34/89/52/1351348952.db2.gz PQHVHTFDTHVFEU-CYBMUJFWSA-N -1 1 334.383 2.112 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1cccc(O)c1Br ZINC001606785424 1351356655 /nfs/dbraw/zinc/35/66/55/1351356655.db2.gz OMORUUXKASJWCS-ZDUSSCGKSA-N -1 1 332.194 2.124 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cccc2ncccc21 ZINC001606831401 1351363603 /nfs/dbraw/zinc/36/36/03/1351363603.db2.gz YLBDOEPEEMYHKT-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)C1(C(F)(F)F)CCCC1 ZINC001606845301 1351366074 /nfs/dbraw/zinc/36/60/74/1351366074.db2.gz VRIXJCZMBCERFV-UHFFFAOYSA-N -1 1 346.338 2.062 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)C1(C(F)(F)F)CCCC1 ZINC001606845301 1351366078 /nfs/dbraw/zinc/36/60/78/1351366078.db2.gz VRIXJCZMBCERFV-UHFFFAOYSA-N -1 1 346.338 2.062 20 0 EEADMM O=C(NCc1nc(C2CC2)cs1)c1csc(-c2nn[n-]n2)c1 ZINC001606847095 1351366370 /nfs/dbraw/zinc/36/63/70/1351366370.db2.gz ISQNNANSGYKTLB-UHFFFAOYSA-N -1 1 332.414 2.192 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1c(F)cc(F)cc1F ZINC001606892477 1351370460 /nfs/dbraw/zinc/37/04/60/1351370460.db2.gz LSEZPZRDDPKVIB-UHFFFAOYSA-N -1 1 349.276 2.137 20 0 EEADMM O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc(-c2nnn[n-]2)n1 ZINC001606898991 1351372257 /nfs/dbraw/zinc/37/22/57/1351372257.db2.gz ZOJYFDGIQRZIIO-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc(-c2nn[n-]n2)n1 ZINC001606898991 1351372263 /nfs/dbraw/zinc/37/22/63/1351372263.db2.gz ZOJYFDGIQRZIIO-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnc(C)s2)c1 ZINC001606940639 1351380829 /nfs/dbraw/zinc/38/08/29/1351380829.db2.gz GAZADVFAJSOFQH-UHFFFAOYSA-N -1 1 342.398 2.097 20 0 EEADMM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)o1 ZINC001606950912 1351383285 /nfs/dbraw/zinc/38/32/85/1351383285.db2.gz TWZDBYDIAVKOMT-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2ccccn2)C1 ZINC001607017087 1351398475 /nfs/dbraw/zinc/39/84/75/1351398475.db2.gz OHBWDNZVDVVBNH-NSHDSACASA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2ccccn2)C1 ZINC001607017087 1351398479 /nfs/dbraw/zinc/39/84/79/1351398479.db2.gz OHBWDNZVDVVBNH-NSHDSACASA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@]2(CCCOC2)C1 ZINC001607022181 1351399649 /nfs/dbraw/zinc/39/96/49/1351399649.db2.gz HANMOKBBGASJGB-QGZVFWFLSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@]2(CCCOC2)C1 ZINC001607022181 1351399651 /nfs/dbraw/zinc/39/96/51/1351399651.db2.gz HANMOKBBGASJGB-QGZVFWFLSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@@]12CCCOC2 ZINC001607031538 1351400971 /nfs/dbraw/zinc/40/09/71/1351400971.db2.gz GCERIKRWNJJUJC-HNNXBMFYSA-N -1 1 333.417 2.104 20 0 EEADMM COc1c(NS(=O)(=O)C[C@@H](CC(C)C)OC)cccc1C(=O)[O-] ZINC001607049797 1351403598 /nfs/dbraw/zinc/40/35/98/1351403598.db2.gz JEZHMPDSMNYUMZ-LLVKDONJSA-N -1 1 345.417 2.196 20 0 EEADMM O[C@H](CNc1cccnc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1 ZINC001607096288 1351416244 /nfs/dbraw/zinc/41/62/44/1351416244.db2.gz DQSWWUPKUMYDCI-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@H](CNc1cccnc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1 ZINC001607096288 1351416247 /nfs/dbraw/zinc/41/62/47/1351416247.db2.gz DQSWWUPKUMYDCI-GFCCVEGCSA-N -1 1 334.742 2.200 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001607124484 1351428664 /nfs/dbraw/zinc/42/86/64/1351428664.db2.gz NSYNIDOJHLVJNV-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001607124484 1351428666 /nfs/dbraw/zinc/42/86/66/1351428666.db2.gz NSYNIDOJHLVJNV-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001607133546 1351434695 /nfs/dbraw/zinc/43/46/95/1351434695.db2.gz AGIDPZHOQXTKLT-UHFFFAOYSA-N -1 1 347.375 2.131 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CCc2cccnc21 ZINC001607135823 1351435447 /nfs/dbraw/zinc/43/54/47/1351435447.db2.gz GIPOUZIWUHAVIN-LBPRGKRZSA-N -1 1 344.382 2.347 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CCc2cccnc21 ZINC001607135823 1351435449 /nfs/dbraw/zinc/43/54/49/1351435449.db2.gz GIPOUZIWUHAVIN-LBPRGKRZSA-N -1 1 344.382 2.347 20 0 EEADMM COc1ccc(/C(C)=C\C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC001607220591 1351452062 /nfs/dbraw/zinc/45/20/62/1351452062.db2.gz RWELZMNPAZMVPN-IKESIWSLSA-N -1 1 346.427 2.106 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C[C@H](C)N1C ZINC001607473448 1351499234 /nfs/dbraw/zinc/49/92/34/1351499234.db2.gz LJEMMNJZRIPFAO-AOOOYVTPSA-N -1 1 340.449 2.062 20 0 EEADMM C[C@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@]1(C)C(=O)[O-] ZINC001607476783 1351500385 /nfs/dbraw/zinc/50/03/85/1351500385.db2.gz JDIWREWWRRJBDO-ZBEGNZNMSA-N -1 1 334.807 2.463 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@]2(CO)CC(C)C)c(C)c1C(=O)[O-] ZINC001607486324 1351502542 /nfs/dbraw/zinc/50/25/42/1351502542.db2.gz QPRTWDBLDKACGE-SFHVURJKSA-N -1 1 336.432 2.385 20 0 EEADMM Cc1cc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)[nH]c1C(=O)[O-] ZINC001607639586 1351530698 /nfs/dbraw/zinc/53/06/98/1351530698.db2.gz NNEDDFUKVMLJFS-ZDUSSCGKSA-N -1 1 335.448 2.396 20 0 EEADMM Cc1cc(CCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])n[nH]1 ZINC001607638216 1351530794 /nfs/dbraw/zinc/53/07/94/1351530794.db2.gz ODDQGCQKIRUGGK-ZDUSSCGKSA-N -1 1 329.400 2.400 20 0 EEADMM Cc1cc(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c2c(n1)CCCC2 ZINC001607640235 1351531193 /nfs/dbraw/zinc/53/11/93/1351531193.db2.gz WXBIXXBHNQSOTJ-SFHVURJKSA-N -1 1 329.400 2.074 20 0 EEADMM Cc1cc(CCC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])n[nH]1 ZINC001607848504 1351570798 /nfs/dbraw/zinc/57/07/98/1351570798.db2.gz DVPAEDULHZVHCP-HNNXBMFYSA-N -1 1 329.400 2.019 20 0 EEADMM Cc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001607885001 1351578899 /nfs/dbraw/zinc/57/88/99/1351578899.db2.gz CTLAXRHOPATAGD-UAGQMJEPSA-N -1 1 346.427 2.278 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC001608332206 1351673080 /nfs/dbraw/zinc/67/30/80/1351673080.db2.gz CNPJOPSIDJANQN-MRXNPFEDSA-N -1 1 346.427 2.462 20 0 EEADMM O=C(Nc1cnc2c(c1)COCC2)c1[n-]cnc1C(=O)c1ccccc1 ZINC001624022463 1352411877 /nfs/dbraw/zinc/41/18/77/1352411877.db2.gz FXIBSXDPGBMKQC-UHFFFAOYSA-N -1 1 348.362 2.361 20 0 EEADMM CSc1nc(CNC(=O)c2cnn(-c3ccccc3)c2)cc(=O)[n-]1 ZINC001627723770 1352507662 /nfs/dbraw/zinc/50/76/62/1352507662.db2.gz DTRHKLAUWSJKSE-UHFFFAOYSA-N -1 1 341.396 2.020 20 0 EEADMM CCOC(=O)C1([N-]S(=O)(=O)c2cc(F)ccc2F)CCCC1 ZINC000057023126 1352724318 /nfs/dbraw/zinc/72/43/18/1352724318.db2.gz HNMULOJCBKKFMV-UHFFFAOYSA-N -1 1 333.356 2.119 20 0 EEADMM CC[C@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CCOC)C1 ZINC001646822873 1352993893 /nfs/dbraw/zinc/99/38/93/1352993893.db2.gz GYABFEBODNUTSL-MRXNPFEDSA-N -1 1 334.424 2.037 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC001647128984 1353155071 /nfs/dbraw/zinc/15/50/71/1353155071.db2.gz VPOWSPBCWQBGQE-WZYXQFPFSA-N -1 1 349.399 2.311 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnc(C2CC2)[nH]c1=O ZINC001648016145 1353413842 /nfs/dbraw/zinc/41/38/42/1353413842.db2.gz BENVJNPJZGQQHL-UHFFFAOYSA-N -1 1 337.339 2.203 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccc3c(n2)CCC3)cc(=O)[n-]1 ZINC001649260566 1353445033 /nfs/dbraw/zinc/44/50/33/1353445033.db2.gz IJJYYISGCKOTSY-UHFFFAOYSA-N -1 1 331.401 2.110 20 0 EEADMM CCCC[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001388492854 1387503778 /nfs/dbraw/zinc/50/37/78/1387503778.db2.gz OOWCKHNIEIRLFZ-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC2(CC2)C1 ZINC001388544588 1387536378 /nfs/dbraw/zinc/53/63/78/1387536378.db2.gz PSMDYCAPTNWVKL-AWEZNQCLSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cccc(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)c1 ZINC001388859735 1387758070 /nfs/dbraw/zinc/75/80/70/1387758070.db2.gz INDHVTZXJTWLPS-OAHLLOKOSA-N -1 1 341.411 2.280 20 0 EEADMM 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333.432 2.238 20 0 EEADMM CCCC[C@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001426956228 1402272647 /nfs/dbraw/zinc/27/26/47/1402272647.db2.gz ULZZTKXOCZPFPU-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC001428055512 1402600869 /nfs/dbraw/zinc/60/08/69/1402600869.db2.gz FJCBEYDXAPYIGU-CHWSQXEVSA-N -1 1 333.432 2.333 20 0 EEADMM CCCC[C@@H](C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001428598513 1402763289 /nfs/dbraw/zinc/76/32/89/1402763289.db2.gz KJQMJJQKJCEPBV-UONOGXRCSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001431205045 1402999668 /nfs/dbraw/zinc/99/96/68/1402999668.db2.gz PDCYDFPLWJGUKV-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(F)c(C)c1 ZINC001432655822 1403262630 /nfs/dbraw/zinc/26/26/30/1403262630.db2.gz SMJLCHXKRXQEKW-CYBMUJFWSA-N -1 1 345.374 2.173 20 0 EEADMM CO[C@H](CC(C)C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434128647 1403457382 /nfs/dbraw/zinc/45/73/82/1403457382.db2.gz LZVHTDLVXXDJAJ-SDDRHHMPSA-N -1 1 338.370 2.106 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1cccc(N2CN=NC2=O)c1C ZINC001570038582 1403509002 /nfs/dbraw/zinc/50/90/02/1403509002.db2.gz FGAUYDHHVCHQBC-UHFFFAOYSA-N -1 1 340.339 2.248 20 0 EEADMM CC[C@H](C)c1nnc(N(C)CC)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576682751 1403596796 /nfs/dbraw/zinc/59/67/96/1403596796.db2.gz GIDIIICGHNVQGB-JTQLQIEISA-N -1 1 330.396 2.069 20 0 EEADMM CC[C@H](C)c1nnc(N(C)CC)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576682751 1403596797 /nfs/dbraw/zinc/59/67/97/1403596797.db2.gz GIDIIICGHNVQGB-JTQLQIEISA-N -1 1 330.396 2.069 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)s1 ZINC001579484110 1403784770 /nfs/dbraw/zinc/78/47/70/1403784770.db2.gz VNLWUTIIUVLUEX-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)s1 ZINC001579484110 1403784774 /nfs/dbraw/zinc/78/47/74/1403784774.db2.gz VNLWUTIIUVLUEX-UHFFFAOYSA-N -1 1 335.370 2.029 20 0 EEADMM CCC[C@@H](C)CCNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001590550162 1403885292 /nfs/dbraw/zinc/88/52/92/1403885292.db2.gz JTTMVDQLHAPEQP-SNVBAGLBSA-N -1 1 343.478 2.174 20 0 EEADMM CCOC(=O)C1=CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001590759139 1403899671 /nfs/dbraw/zinc/89/96/71/1403899671.db2.gz VSTANEPEADKNCE-SSDOTTSWSA-N -1 1 340.796 2.040 20 0 EEADMM CCOC(=O)C1=CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590759139 1403899676 /nfs/dbraw/zinc/89/96/76/1403899676.db2.gz VSTANEPEADKNCE-SSDOTTSWSA-N -1 1 340.796 2.040 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCOc3ccc(F)cc32)n1 ZINC001591894490 1403970346 /nfs/dbraw/zinc/97/03/46/1403970346.db2.gz XWSACNLOACBURI-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCOc3ccc(F)cc32)n1 ZINC001591894490 1403970348 /nfs/dbraw/zinc/97/03/48/1403970348.db2.gz XWSACNLOACBURI-GFCCVEGCSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c(C(C)C)n1 ZINC001592128239 1404001113 /nfs/dbraw/zinc/00/11/13/1404001113.db2.gz FWWVLJMPBYVDKA-UHFFFAOYSA-N -1 1 343.416 2.080 20 0 EEADMM Cc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c(C(C)C)n1 ZINC001592128239 1404001119 /nfs/dbraw/zinc/00/11/19/1404001119.db2.gz FWWVLJMPBYVDKA-UHFFFAOYSA-N -1 1 343.416 2.080 20 0 EEADMM Cc1ccc(C(C)(C)NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC001592134329 1404002308 /nfs/dbraw/zinc/00/23/08/1404002308.db2.gz XUPQTMKSDDZEMB-UHFFFAOYSA-N -1 1 338.375 2.022 20 0 EEADMM Cc1ccc(C(C)(C)NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC001592134329 1404002312 /nfs/dbraw/zinc/00/23/12/1404002312.db2.gz XUPQTMKSDDZEMB-UHFFFAOYSA-N -1 1 338.375 2.022 20 0 EEADMM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)o1 ZINC001592150868 1404009113 /nfs/dbraw/zinc/00/91/13/1404009113.db2.gz ZQKQCIXARYQBLS-JTQLQIEISA-N -1 1 341.375 2.306 20 0 EEADMM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)o1 ZINC001592150868 1404009120 /nfs/dbraw/zinc/00/91/20/1404009120.db2.gz ZQKQCIXARYQBLS-JTQLQIEISA-N -1 1 341.375 2.306 20 0 EEADMM Fc1ccccc1OCCNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592661937 1404706682 /nfs/dbraw/zinc/70/66/82/1404706682.db2.gz TZWRCVVBONQDEM-UHFFFAOYSA-N -1 1 341.350 2.164 20 0 EEADMM Fc1ccccc1OCCNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592661937 1404706684 /nfs/dbraw/zinc/70/66/84/1404706684.db2.gz TZWRCVVBONQDEM-UHFFFAOYSA-N -1 1 341.350 2.164 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592793053 1404723019 /nfs/dbraw/zinc/72/30/19/1404723019.db2.gz YFDULBCLVVIONW-DUXPYHPUSA-N -1 1 345.366 2.073 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592793053 1404723023 /nfs/dbraw/zinc/72/30/23/1404723023.db2.gz YFDULBCLVVIONW-DUXPYHPUSA-N -1 1 345.366 2.073 20 0 EEADMM O=C(NCCOc1cccc(Cl)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593097639 1404740755 /nfs/dbraw/zinc/74/07/55/1404740755.db2.gz CHZPKKKCSBMSNP-UHFFFAOYSA-N -1 1 349.803 2.390 20 0 EEADMM Cc1nc(Nc2ccc3c(c2)[C@H](O)CCCC3)cc(-c2nnn[n-]2)n1 ZINC001606078944 1404764448 /nfs/dbraw/zinc/76/44/48/1404764448.db2.gz FQOGXGMDTFNZBA-OAHLLOKOSA-N -1 1 337.387 2.469 20 0 EEADMM Cc1nc(Nc2ccc3c(c2)[C@H](O)CCCC3)cc(-c2nn[n-]n2)n1 ZINC001606078944 1404764451 /nfs/dbraw/zinc/76/44/51/1404764451.db2.gz FQOGXGMDTFNZBA-OAHLLOKOSA-N -1 1 337.387 2.469 20 0 EEADMM CNC(=O)[C@@H](Cc1ccccc1)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001606261205 1404777544 /nfs/dbraw/zinc/77/75/44/1404777544.db2.gz HBISJLOQYHRTLY-MRXNPFEDSA-N -1 1 343.427 2.283 20 0 EEADMM FC(F)(F)c1cccc(CCNc2cccnc2-c2nnn[n-]2)n1 ZINC001606294049 1404779285 /nfs/dbraw/zinc/77/92/85/1404779285.db2.gz YRFLWGJVCILHKU-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1cccc(CCNc2cccnc2-c2nn[n-]n2)n1 ZINC001606294049 1404779296 /nfs/dbraw/zinc/77/92/96/1404779296.db2.gz YRFLWGJVCILHKU-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)OCC(=O)OC(C)C)n1 ZINC001645763031 1404845695 /nfs/dbraw/zinc/84/56/95/1404845695.db2.gz FHWVEKUUKBEKNH-UHFFFAOYSA-N -1 1 336.319 2.134 20 0 EEADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]C1(C(F)(F)F)CC1 ZINC001646181021 1404879667 /nfs/dbraw/zinc/87/96/67/1404879667.db2.gz SOJJQHZNYIVGOX-UHFFFAOYSA-N -1 1 337.319 2.155 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000138919165 1405668211 /nfs/dbraw/zinc/66/82/11/1405668211.db2.gz MBXJTOSWHOQOKY-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000165100724 1405715501 /nfs/dbraw/zinc/71/55/01/1405715501.db2.gz ANHXSQYHFKRUJU-KSSFIOAISA-N -1 1 345.370 2.496 20 0 EEADMM CSCC[C@H](NC(=O)C1(c2ccccc2C)CC1)c1nn[n-]n1 ZINC001771924709 1409981813 /nfs/dbraw/zinc/98/18/13/1409981813.db2.gz PRBWDSZYSJUHCQ-ZDUSSCGKSA-N -1 1 331.445 2.150 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001069593498 1411063788 /nfs/dbraw/zinc/06/37/88/1411063788.db2.gz DYLWVQFBWWZBPR-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1[nH]nc2c1CCCCC2 ZINC000588569507 760920477 /nfs/dbraw/zinc/92/04/77/760920477.db2.gz BJRHJNKLXGXQHK-QXMHVHEDSA-N -1 1 345.424 2.409 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C2CC2)N2CCCC2)o1 ZINC000780513808 761255754 /nfs/dbraw/zinc/25/57/54/761255754.db2.gz XLJOOAMIMAIXTE-KBXCAEBGSA-N -1 1 349.431 2.277 20 0 EEADMM C[C@@H](CNc1nc(C2CC2)ns1)N(C)C(=O)c1ncccc1[O-] ZINC001104536209 761707815 /nfs/dbraw/zinc/70/78/15/761707815.db2.gz JSLIZWTYMOQVRE-VIFPVBQESA-N -1 1 333.417 2.089 20 0 EEADMM O=C(NCCNCc1ncc(-c2cccs2)o1)c1ncccc1[O-] ZINC001126130977 770037363 /nfs/dbraw/zinc/03/73/63/770037363.db2.gz IESKPURQTOUPRB-UHFFFAOYSA-N -1 1 344.396 2.023 20 0 EEADMM O=S(=O)([N-]Cc1cc2n(n1)CCCC2)c1cc(Cl)ccc1F ZINC000919615735 770093922 /nfs/dbraw/zinc/09/39/22/770093922.db2.gz FMHGFNYNSAUMTI-UHFFFAOYSA-N -1 1 343.811 2.490 20 0 EEADMM C[C@H]1CC[C@@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979668461 770816206 /nfs/dbraw/zinc/81/62/06/770816206.db2.gz QJZZUKDUNCJKOB-XGUBFFRZSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)CC=CCC1 ZINC000979674536 770831063 /nfs/dbraw/zinc/83/10/63/770831063.db2.gz QCXDJXYGKBSXBG-PJIJBLCYSA-N -1 1 343.427 2.158 20 0 EEADMM CCOC(=O)[C@H](C[C@H](C)CC)[N-]S(=O)(=O)CCC(F)(F)F ZINC000921382952 773318157 /nfs/dbraw/zinc/31/81/57/773318157.db2.gz MIWHIVCHYLXMGS-ZJUUUORDSA-N -1 1 333.372 2.226 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CC1 ZINC000921429810 773366887 /nfs/dbraw/zinc/36/68/87/773366887.db2.gz FOFVXPATQNJOQJ-GFCCVEGCSA-N -1 1 340.836 2.207 20 0 EEADMM CCOc1ncccc1C(=O)[N-]NC(=O)c1cccc2cccnc21 ZINC000064501567 773552553 /nfs/dbraw/zinc/55/25/53/773552553.db2.gz ZIXZOCVIKDETSJ-UHFFFAOYSA-N -1 1 336.351 2.103 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000942757945 783146212 /nfs/dbraw/zinc/14/62/12/783146212.db2.gz JITVMQWDTCIFSJ-HVCHUGMYSA-N -1 1 343.427 2.207 20 0 EEADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000980452199 774628464 /nfs/dbraw/zinc/62/84/64/774628464.db2.gz ISMWRQFHMKHASS-MGPQQGTHSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)NCc1cccs1 ZINC000843688938 774821191 /nfs/dbraw/zinc/82/11/91/774821191.db2.gz LNLWDCWXXSTXBZ-MRVPVSSYSA-N -1 1 326.315 2.160 20 0 EEADMM CCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC001078925543 783223481 /nfs/dbraw/zinc/22/34/81/783223481.db2.gz PUVGAXYTOBRPAB-CQSZACIVSA-N -1 1 333.432 2.431 20 0 EEADMM Cc1ccoc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000980924420 776032987 /nfs/dbraw/zinc/03/29/87/776032987.db2.gz IDXDELUSFPHKAE-QWHCGFSZSA-N -1 1 343.383 2.017 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(C/C(Cl)=C\Cl)CC1 ZINC000981026879 776402406 /nfs/dbraw/zinc/40/24/06/776402406.db2.gz OWMAMFCOOSXKKW-PKNBQFBNSA-N -1 1 330.215 2.254 20 0 EEADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CCCC1 ZINC000946263374 790606621 /nfs/dbraw/zinc/60/66/21/790606621.db2.gz RJOWXVHRZYSQNS-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866897084 778799474 /nfs/dbraw/zinc/79/94/74/778799474.db2.gz QFQPYCDHZBCVGD-SECBINFHSA-N -1 1 341.260 2.465 20 0 EEADMM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1ccc(Cl)nc1Cl ZINC000178571780 779441097 /nfs/dbraw/zinc/44/10/97/779441097.db2.gz VVIAZZBECFARIX-JTQLQIEISA-N -1 1 347.223 2.400 20 0 EEADMM CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000182943761 780053683 /nfs/dbraw/zinc/05/36/83/780053683.db2.gz JNINJUPWZFITCD-GXSJLCMTSA-N -1 1 326.780 2.012 20 0 EEADMM CC(C)Oc1ncc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)cn1 ZINC001167939443 781029153 /nfs/dbraw/zinc/02/91/53/781029153.db2.gz VBZGAKZGOPIDPW-UHFFFAOYSA-N -1 1 349.327 2.349 20 0 EEADMM Cc1csc(C(=O)N2CCCCC[C@H](NCc3n[nH]c(=O)[n-]3)C2)c1 ZINC001088309834 783459719 /nfs/dbraw/zinc/45/97/19/783459719.db2.gz ILHBXZLHHHMNLY-LBPRGKRZSA-N -1 1 349.460 2.055 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1(C)CC=CC1 ZINC000945278723 783754040 /nfs/dbraw/zinc/75/40/40/783754040.db2.gz IZJFTJFMYAWXMX-KGLIPLIRSA-N -1 1 343.427 2.110 20 0 EEADMM CC(C)Oc1cncc(-c2c[n-]c3nc(S(C)(=O)=O)nc-3c2)c1 ZINC000906196763 783770950 /nfs/dbraw/zinc/77/09/50/783770950.db2.gz UFFDIRWQTKPARE-UHFFFAOYSA-N -1 1 332.385 2.211 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1(C)CCCC1 ZINC000945287874 783780286 /nfs/dbraw/zinc/78/02/86/783780286.db2.gz JDYRGPAGSWJMOC-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945296881 783784741 /nfs/dbraw/zinc/78/47/41/783784741.db2.gz IBRXMJWSBGDKRW-GXTWGEPZSA-N -1 1 345.443 2.190 20 0 EEADMM Cn1cc(Br)c(C(=O)Nc2nc(Cl)ccc2[O-])n1 ZINC000816427375 783997370 /nfs/dbraw/zinc/99/73/70/783997370.db2.gz VRZMDKMGBGIEGN-UHFFFAOYSA-N -1 1 331.557 2.189 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC000945483394 784167046 /nfs/dbraw/zinc/16/70/46/784167046.db2.gz WVPNLROYHQGUGV-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945502117 784221989 /nfs/dbraw/zinc/22/19/89/784221989.db2.gz RRBSBEARULKDGS-KGLIPLIRSA-N -1 1 343.427 2.110 20 0 EEADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCC(=O)N2C)c1 ZINC000907240536 784481915 /nfs/dbraw/zinc/48/19/15/784481915.db2.gz IYWNEPFVDYIGFB-NSHDSACASA-N -1 1 341.205 2.413 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000945619244 784523472 /nfs/dbraw/zinc/52/34/72/784523472.db2.gz TWEYHQPDKOCXQY-ZFWWWQNUSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(C/C=C/Cc1ccccc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476159 784644976 /nfs/dbraw/zinc/64/49/76/784644976.db2.gz MPKIZWGYJUGEAJ-NNTXTVRGSA-N -1 1 329.429 2.005 20 0 EEADMM O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907476958 784646278 /nfs/dbraw/zinc/64/62/78/784646278.db2.gz DCPSCXJYJXKBCR-REWJHTLYSA-N -1 1 335.477 2.423 20 0 EEADMM O=C([C@@H]1CCSc2ccccc21)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478363 784648581 /nfs/dbraw/zinc/64/85/81/784648581.db2.gz XQXZETGZIFRTHH-NEPJUHHUSA-N -1 1 347.469 2.096 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1C ZINC000907480803 784687013 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C[C@@H](C(=O)[O-])[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000833407412 605023022 /nfs/dbraw/zinc/02/30/22/605023022.db2.gz NNVVQMCCSMMMCZ-PWSUYJOCSA-N -1 1 332.322 2.107 20 0 EEADMM COCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000833726078 605050116 /nfs/dbraw/zinc/05/01/16/605050116.db2.gz QOISVMXLXVMGCE-UHFFFAOYSA-N -1 1 342.398 2.097 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1cccc(F)c1 ZINC000833383381 605097123 /nfs/dbraw/zinc/09/71/23/605097123.db2.gz SLPZLOVCMWOGQE-JWAFFJSPSA-N -1 1 334.391 2.236 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1C(C)C ZINC000833742206 605103768 /nfs/dbraw/zinc/10/37/68/605103768.db2.gz HZQBBFOFAXTXDN-CQSZACIVSA-N -1 1 335.448 2.307 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000833618537 605112134 /nfs/dbraw/zinc/11/21/34/605112134.db2.gz CDMJZJXAYTVKLE-ZFWWWQNUSA-N -1 1 348.468 2.273 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@H]1C ZINC000833658336 605123494 /nfs/dbraw/zinc/12/34/94/605123494.db2.gz RCZVJNDXAKGZLE-ZIAGYGMSSA-N -1 1 348.447 2.443 20 0 EEADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833610876 605137198 /nfs/dbraw/zinc/13/71/98/605137198.db2.gz YKUCSEYZIFIHSA-RBSFLKMASA-N -1 1 325.453 2.003 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1C ZINC000833659167 605143715 /nfs/dbraw/zinc/14/37/15/605143715.db2.gz YUCJISGLZVNMQW-QWHCGFSZSA-N -1 1 349.431 2.018 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833385138 605167508 /nfs/dbraw/zinc/16/75/08/605167508.db2.gz GNJDSWWWVLYSLB-YBEMTRGBSA-N -1 1 334.391 2.236 20 0 EEADMM C/C(=C/c1ccc(F)cc1)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC000833386804 605276092 /nfs/dbraw/zinc/27/60/92/605276092.db2.gz SRMXGQZIEIAPAP-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1 ZINC000821772688 606293898 /nfs/dbraw/zinc/29/38/98/606293898.db2.gz LTZCGWWNKYWPIH-UHFFFAOYSA-N -1 1 325.328 2.142 20 0 EEADMM CCCN(CCc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821099845 606539282 /nfs/dbraw/zinc/53/92/82/606539282.db2.gz PIJASOWXLUNLDF-UHFFFAOYSA-N -1 1 342.428 2.418 20 0 EEADMM CCCN(CCc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821099845 606539284 /nfs/dbraw/zinc/53/92/84/606539284.db2.gz PIJASOWXLUNLDF-UHFFFAOYSA-N -1 1 342.428 2.418 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822327243 606648692 /nfs/dbraw/zinc/64/86/92/606648692.db2.gz DQQANRCHMZAITC-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822327243 606648693 /nfs/dbraw/zinc/64/86/93/606648693.db2.gz DQQANRCHMZAITC-LBPRGKRZSA-N -1 1 339.355 2.081 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1-c1nnn[n-]1 ZINC000822591594 606727881 /nfs/dbraw/zinc/72/78/81/606727881.db2.gz WKQKTVIUFQKJKM-PRJMDXOYSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1-c1nn[n-]n1 ZINC000822591594 606727882 /nfs/dbraw/zinc/72/78/82/606727882.db2.gz WKQKTVIUFQKJKM-PRJMDXOYSA-N -1 1 326.813 2.346 20 0 EEADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H]1n1ccnc1 ZINC000820727105 607046647 /nfs/dbraw/zinc/04/66/47/607046647.db2.gz GQIXEPXEZWQRKK-PWSUYJOCSA-N -1 1 344.810 2.199 20 0 EEADMM C[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H]1n1ccnc1 ZINC000820727105 607046648 /nfs/dbraw/zinc/04/66/48/607046648.db2.gz GQIXEPXEZWQRKK-PWSUYJOCSA-N -1 1 344.810 2.199 20 0 EEADMM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000820527611 607159742 /nfs/dbraw/zinc/15/97/42/607159742.db2.gz LSXSLBVUTFTUDI-SECBINFHSA-N -1 1 343.318 2.117 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826337883 607826349 /nfs/dbraw/zinc/82/63/49/607826349.db2.gz DDWDOZTVOYAWHX-SECBINFHSA-N -1 1 342.359 2.104 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826337883 607826350 /nfs/dbraw/zinc/82/63/50/607826350.db2.gz DDWDOZTVOYAWHX-SECBINFHSA-N -1 1 342.359 2.104 20 0 EEADMM Cc1cnc(CCN(C)c2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000826318498 607849507 /nfs/dbraw/zinc/84/95/07/607849507.db2.gz LULNFGGBLUDWBY-UHFFFAOYSA-N -1 1 341.853 2.420 20 0 EEADMM Cc1cnc(CCN(C)c2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000826318498 607849508 /nfs/dbraw/zinc/84/95/08/607849508.db2.gz LULNFGGBLUDWBY-UHFFFAOYSA-N -1 1 341.853 2.420 20 0 EEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824456933 607927016 /nfs/dbraw/zinc/92/70/16/607927016.db2.gz BBGLGALXPXKDAD-SECBINFHSA-N -1 1 345.794 2.071 20 0 EEADMM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824456933 607927017 /nfs/dbraw/zinc/92/70/17/607927017.db2.gz BBGLGALXPXKDAD-SECBINFHSA-N -1 1 345.794 2.071 20 0 EEADMM Cc1cccc(OCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826300102 607998045 /nfs/dbraw/zinc/99/80/45/607998045.db2.gz ISQRUALXJZAXCI-UHFFFAOYSA-N -1 1 339.355 2.288 20 0 EEADMM Clc1cccc(-c2cnc(Cn3ccnc3-c3nnn[n-]3)o2)c1 ZINC000826352686 608014269 /nfs/dbraw/zinc/01/42/69/608014269.db2.gz KIPCVUNSLJJMOI-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1cccc(-c2cnc(Cn3ccnc3-c3nn[n-]n3)o2)c1 ZINC000826352686 608014270 /nfs/dbraw/zinc/01/42/70/608014270.db2.gz KIPCVUNSLJJMOI-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Cc1nc(Cl)ccc1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826327199 608171343 /nfs/dbraw/zinc/17/13/43/608171343.db2.gz XCSPMZAPUWNSGS-UHFFFAOYSA-N -1 1 344.762 2.110 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SC[C@H](C)CO)n1 ZINC000826262430 608262972 /nfs/dbraw/zinc/26/29/72/608262972.db2.gz OMPKZBLGGGVKIY-ZCFIWIBFSA-N -1 1 333.339 2.309 20 0 EEADMM CCOc1ccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825637960 608391499 /nfs/dbraw/zinc/39/14/99/608391499.db2.gz CXSWBIWETCIHNS-HNNXBMFYSA-N -1 1 337.387 2.397 20 0 EEADMM CCOc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825637960 608391501 /nfs/dbraw/zinc/39/15/01/608391501.db2.gz CXSWBIWETCIHNS-HNNXBMFYSA-N -1 1 337.387 2.397 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825923693 608401662 /nfs/dbraw/zinc/40/16/62/608401662.db2.gz RPWUJPYWBIZIAD-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM CN(CCCOc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825923693 608401663 /nfs/dbraw/zinc/40/16/63/608401663.db2.gz RPWUJPYWBIZIAD-UHFFFAOYSA-N -1 1 345.794 2.215 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826374131 608404052 /nfs/dbraw/zinc/40/40/52/608404052.db2.gz MMGBJORQCSCKRM-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826374131 608404054 /nfs/dbraw/zinc/40/40/54/608404054.db2.gz MMGBJORQCSCKRM-ZDUSSCGKSA-N -1 1 325.351 2.007 20 0 EEADMM c1csc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccc2)n1 ZINC000826520572 608414494 /nfs/dbraw/zinc/41/44/94/608414494.db2.gz NAQFYAQIMMIFCT-ZDUSSCGKSA-N -1 1 336.384 2.315 20 0 EEADMM c1csc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccc2)n1 ZINC000826520572 608414495 /nfs/dbraw/zinc/41/44/95/608414495.db2.gz NAQFYAQIMMIFCT-ZDUSSCGKSA-N -1 1 336.384 2.315 20 0 EEADMM CCCCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000825291609 608427927 /nfs/dbraw/zinc/42/79/27/608427927.db2.gz UYVMOIGNVSMQOF-STQMWFEESA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000825291609 608427929 /nfs/dbraw/zinc/42/79/29/608427929.db2.gz UYVMOIGNVSMQOF-STQMWFEESA-N -1 1 331.424 2.077 20 0 EEADMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1nccn1C(F)F ZINC000825965673 608534449 /nfs/dbraw/zinc/53/44/49/608534449.db2.gz BECPGVUZCHZHSI-UHFFFAOYSA-N -1 1 325.348 2.152 20 0 EEADMM CCn1cc(C2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)cn1 ZINC000825799514 608543753 /nfs/dbraw/zinc/54/37/53/608543753.db2.gz NFVWAQMXAGLTGU-UHFFFAOYSA-N -1 1 338.419 2.171 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)[C@H](c2ccccc2)CO1 ZINC000824984866 608727934 /nfs/dbraw/zinc/72/79/34/608727934.db2.gz OQAISNIUIXEOED-WFASDCNBSA-N -1 1 325.372 2.422 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)[C@H](c2ccccc2)CO1 ZINC000824984866 608727935 /nfs/dbraw/zinc/72/79/35/608727935.db2.gz OQAISNIUIXEOED-WFASDCNBSA-N -1 1 325.372 2.422 20 0 EEADMM CC(C)=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824178603 609290086 /nfs/dbraw/zinc/29/00/86/609290086.db2.gz ZJVKOYMCFLRRDJ-UHFFFAOYSA-N -1 1 327.323 2.096 20 0 EEADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccco1 ZINC000826458927 609291616 /nfs/dbraw/zinc/29/16/16/609291616.db2.gz NAMMDUSQBWYCBZ-UHFFFAOYSA-N -1 1 339.290 2.037 20 0 EEADMM Cn1ccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)n1 ZINC000826363454 609381451 /nfs/dbraw/zinc/38/14/51/609381451.db2.gz NBOLZEMLKGHSDQ-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM Clc1ccc(N2CCC([C@H]3CCOC3)CC2)nc1-c1nnn[n-]1 ZINC000826351888 609591675 /nfs/dbraw/zinc/59/16/75/609591675.db2.gz FSUKRFUYBPASGI-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCC([C@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC000826351888 609591676 /nfs/dbraw/zinc/59/16/76/609591676.db2.gz FSUKRFUYBPASGI-NSHDSACASA-N -1 1 334.811 2.168 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)c1cc(F)c(F)c(F)c1 ZINC000073997971 675245081 /nfs/dbraw/zinc/24/50/81/675245081.db2.gz SPBONTRGZGEBKK-UHFFFAOYSA-N -1 1 330.335 2.350 20 0 EEADMM Cc1ccc(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)c(O)c1 ZINC000021784251 675311543 /nfs/dbraw/zinc/31/15/43/675311543.db2.gz RMWYGDTVTRIODZ-UHFFFAOYSA-N -1 1 336.351 2.166 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000070961331 675700934 /nfs/dbraw/zinc/70/09/34/675700934.db2.gz LQQVOXUTBSPDEW-OAHLLOKOSA-N -1 1 327.352 2.151 20 0 EEADMM C[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)C[C@H](C)N1CC(F)(F)F ZINC000891287095 676309669 /nfs/dbraw/zinc/30/96/69/676309669.db2.gz LWSZVFBCLJQTPK-PHIMTYICSA-N -1 1 344.333 2.058 20 0 EEADMM COc1ccc(F)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1OC ZINC000891618223 676726109 /nfs/dbraw/zinc/72/61/09/676726109.db2.gz NJUITJWKDNROFW-UHFFFAOYSA-N -1 1 347.346 2.470 20 0 EEADMM O=C(CSCc1cscn1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891622858 676731924 /nfs/dbraw/zinc/73/19/24/676731924.db2.gz RCMLNAWJZOXGMC-UHFFFAOYSA-N -1 1 336.442 2.389 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000866858534 677912043 /nfs/dbraw/zinc/91/20/43/677912043.db2.gz IMLQTFJFGHPFNI-UHFFFAOYSA-N -1 1 348.877 2.425 20 0 EEADMM CCC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007409853 685445689 /nfs/dbraw/zinc/44/56/89/685445689.db2.gz PLGUOLPRRBNWCO-UHFFFAOYSA-N -1 1 330.715 2.078 20 0 EEADMM CC1=C(C)C[C@H](C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001024971125 681655258 /nfs/dbraw/zinc/65/52/58/681655258.db2.gz GLFDAZZZLHLUQN-HUUCEWRRSA-N -1 1 347.463 2.118 20 0 EEADMM CN(C(=O)[C@]1(C)CC=CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219208 681719950 /nfs/dbraw/zinc/71/99/50/681719950.db2.gz DRUVAPFMQRVIIB-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1ccc(-c2cc(C(=O)NCc3n[n-]c(=S)n3C)on2)cc1 ZINC000066625239 681739306 /nfs/dbraw/zinc/73/93/06/681739306.db2.gz GXNDSTYPXHBMTG-UHFFFAOYSA-N -1 1 329.385 2.371 20 0 EEADMM C/C(=C\C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000937259599 681992013 /nfs/dbraw/zinc/99/20/13/681992013.db2.gz CKXOMUCXKYMRCA-FQNOHDAGSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C)CC[C@H](C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000983250759 682115568 /nfs/dbraw/zinc/11/55/68/682115568.db2.gz CCUGXYWLNFSOCC-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197322 682294840 /nfs/dbraw/zinc/29/48/40/682294840.db2.gz CQQZLEHNGSUBGD-HAQNSBGRSA-N -1 1 343.383 2.194 20 0 EEADMM CC[C@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973200068 682297607 /nfs/dbraw/zinc/29/76/07/682297607.db2.gz XPWGXCFOWWZTHC-ZQDZILKHSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(C=C1CCC1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973595211 682807361 /nfs/dbraw/zinc/80/73/61/682807361.db2.gz CISWJDWNWOQXAR-GOOCMWNKSA-N -1 1 341.411 2.149 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2CN(C(=O)C3CCC3)CC[C@@H]21 ZINC000973717539 683112330 /nfs/dbraw/zinc/11/23/30/683112330.db2.gz FUYDDNWUBIORHA-GJZGRUSLSA-N -1 1 343.427 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CO[C@]1(C(F)(F)F)CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609310062 1351928057 /nfs/dbraw/zinc/92/80/57/1351928057.db2.gz CQDUZUXOLUHNAB-CYBMUJFWSA-N -1 1 342.325 2.118 20 0 EEADMM CO[C@]1(C(F)(F)F)CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609310062 1351928059 /nfs/dbraw/zinc/92/80/59/1351928059.db2.gz CQDUZUXOLUHNAB-CYBMUJFWSA-N -1 1 342.325 2.118 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cc(Cl)cc2c1OCC2 ZINC001329295655 1334621707 /nfs/dbraw/zinc/62/17/07/1334621707.db2.gz OWOOCZUCBKLQQD-UHFFFAOYSA-N -1 1 341.791 2.207 20 0 EEADMM COc1ccc(COCCCNc2cccnc2-c2nnn[n-]2)cc1 ZINC001609356258 1351945328 /nfs/dbraw/zinc/94/53/28/1351945328.db2.gz HSRMJXLUNHSLNE-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COc1ccc(COCCCNc2cccnc2-c2nn[n-]n2)cc1 ZINC001609356258 1351945329 /nfs/dbraw/zinc/94/53/29/1351945329.db2.gz HSRMJXLUNHSLNE-UHFFFAOYSA-N -1 1 340.387 2.289 20 0 EEADMM COc1cccc(F)c1[C@@H](C)Nc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001609362058 1351947645 /nfs/dbraw/zinc/94/76/45/1351947645.db2.gz QEGBUPVHBZKRBK-SNVBAGLBSA-N -1 1 328.351 2.313 20 0 EEADMM COc1cccc(F)c1[C@@H](C)Nc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001609362058 1351947649 /nfs/dbraw/zinc/94/76/49/1351947649.db2.gz QEGBUPVHBZKRBK-SNVBAGLBSA-N -1 1 328.351 2.313 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccc(N3CCCCC3)nc2)n1 ZINC001609392868 1351957492 /nfs/dbraw/zinc/95/74/92/1351957492.db2.gz KTIIGVIRFFIOFI-UHFFFAOYSA-N -1 1 337.391 2.094 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccc(N3CCCCC3)nc2)n1 ZINC001609392868 1351957493 /nfs/dbraw/zinc/95/74/93/1351957493.db2.gz KTIIGVIRFFIOFI-UHFFFAOYSA-N -1 1 337.391 2.094 20 0 EEADMM Cc1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(-c2nnn[n-]2)n1 ZINC001609405818 1351963459 /nfs/dbraw/zinc/96/34/59/1351963459.db2.gz ZHUMFHBRQYQDDZ-NUEKZKHPSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(-c2nn[n-]n2)n1 ZINC001609405818 1351963460 /nfs/dbraw/zinc/96/34/60/1351963460.db2.gz ZHUMFHBRQYQDDZ-NUEKZKHPSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccnn1-c1ccccc1 ZINC001609467932 1351988817 /nfs/dbraw/zinc/98/88/17/1351988817.db2.gz BOBQAPRVZPVWNE-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccnn1-c1ccccc1 ZINC001609467932 1351988818 /nfs/dbraw/zinc/98/88/18/1351988818.db2.gz BOBQAPRVZPVWNE-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609582990 1352026376 /nfs/dbraw/zinc/02/63/76/1352026376.db2.gz LVDFQMUNQNOECW-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC001609582990 1352026378 /nfs/dbraw/zinc/02/63/78/1352026378.db2.gz LVDFQMUNQNOECW-CQSZACIVSA-N -1 1 336.355 2.222 20 0 EEADMM CC(C)(C)C1=CCN(CCNC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC001609654289 1352050836 /nfs/dbraw/zinc/05/08/36/1352050836.db2.gz PEQLAKQXTAOVMN-UHFFFAOYSA-N -1 1 334.416 2.315 20 0 EEADMM C[C@@H]1Cc2cc([N-]S(=O)(=O)c3cnc4c(cnn4C)c3)ccc2O1 ZINC001334707567 1336286945 /nfs/dbraw/zinc/28/69/45/1336286945.db2.gz LJWXVUANAOEDHH-SNVBAGLBSA-N -1 1 344.396 2.093 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@]3(C2)CC(=O)c2ccccc2O3)O1 ZINC001609828464 1352095381 /nfs/dbraw/zinc/09/53/81/1352095381.db2.gz GPDATTXNZWVPEE-ORAYPTAESA-N -1 1 343.379 2.244 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(N)=O)c3C)cc2o1 ZINC001338848014 1336919207 /nfs/dbraw/zinc/91/92/07/1336919207.db2.gz YZHFZZAJTCSFFM-UHFFFAOYSA-N -1 1 345.380 2.344 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)[C@@H]1C ZINC001609850703 1352101481 /nfs/dbraw/zinc/10/14/81/1352101481.db2.gz PMDNNQLOXFYVOH-GTACMHHNSA-N -1 1 347.459 2.302 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CC(c2ccc(F)cc2)C1 ZINC001609867509 1352106543 /nfs/dbraw/zinc/10/65/43/1352106543.db2.gz LBXSIXMBCARXIY-JEYLPNPQSA-N -1 1 348.418 2.327 20 0 EEADMM CCC(CC)(NCC(=O)N[C@H](C)Cc1c(F)cccc1F)C(=O)[O-] ZINC001609916150 1352118975 /nfs/dbraw/zinc/11/89/75/1352118975.db2.gz VNMXMKUSRYWTTP-LLVKDONJSA-N -1 1 342.386 2.245 20 0 EEADMM CCC[C@@](C)(NCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)[O-] ZINC001609953579 1352128785 /nfs/dbraw/zinc/12/87/85/1352128785.db2.gz ITRSKYFLNDWAOZ-MRXNPFEDSA-N -1 1 348.382 2.070 20 0 EEADMM CCN(C(=O)Cc1n[nH]c2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001609990397 1352136339 /nfs/dbraw/zinc/13/63/39/1352136339.db2.gz NSRQOEPYEDELMV-UHFFFAOYSA-N -1 1 330.369 2.313 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCC2 ZINC001351658130 1337834816 /nfs/dbraw/zinc/83/48/16/1337834816.db2.gz WFMBUEZPYOOFNO-WDEREUQCSA-N -1 1 337.445 2.199 20 0 EEADMM CCCCO[C@@H](C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848341526 1338683823 /nfs/dbraw/zinc/68/38/23/1338683823.db2.gz GBXPIMKVNWBDIZ-GRYCIOLGSA-N -1 1 338.370 2.250 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CC2)nc(C)n1 ZINC001610558349 1352244624 /nfs/dbraw/zinc/24/46/24/1352244624.db2.gz IBTRQSSSRUMSGF-UHFFFAOYSA-N -1 1 347.396 2.470 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001610684340 1352259846 /nfs/dbraw/zinc/25/98/46/1352259846.db2.gz XTFIIUODDUAATM-BXUZGUMPSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001610684340 1352259847 /nfs/dbraw/zinc/25/98/47/1352259847.db2.gz XTFIIUODDUAATM-BXUZGUMPSA-N -1 1 337.807 2.002 20 0 EEADMM O=C([O-])C12CCC(C(=O)Nc3nc(-c4ccco4)n[nH]3)(CC1)CC2 ZINC001610729991 1352265923 /nfs/dbraw/zinc/26/59/23/1352265923.db2.gz ROKUCDUTPBNEFI-UHFFFAOYSA-N -1 1 330.344 2.428 20 0 EEADMM CCc1occc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001428566369 1339572562 /nfs/dbraw/zinc/57/25/62/1339572562.db2.gz HYTHWOGFWWILFH-RYUDHWBXSA-N -1 1 345.399 2.270 20 0 EEADMM O=C([O-])c1ccc(CNC[C@](O)(c2ccccc2)C(F)(F)F)[nH]1 ZINC001610827682 1352281444 /nfs/dbraw/zinc/28/14/44/1352281444.db2.gz MWURZQNKVOSGHP-AWEZNQCLSA-N -1 1 328.290 2.253 20 0 EEADMM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC001610826996 1352281493 /nfs/dbraw/zinc/28/14/93/1352281493.db2.gz KZQCMGKGVKBICE-SNVBAGLBSA-N -1 1 336.779 2.242 20 0 EEADMM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC001610826996 1352281495 /nfs/dbraw/zinc/28/14/95/1352281495.db2.gz KZQCMGKGVKBICE-SNVBAGLBSA-N -1 1 336.779 2.242 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001428941751 1339746388 /nfs/dbraw/zinc/74/63/88/1339746388.db2.gz BPKARGPUHFYQHK-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])CC1 ZINC001430509611 1340241488 /nfs/dbraw/zinc/24/14/88/1340241488.db2.gz NCPKVYMJEZLDAO-IHRRRGAJSA-N -1 1 333.432 2.238 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)c(=O)[n-]1 ZINC001617994823 1352347100 /nfs/dbraw/zinc/34/71/00/1352347100.db2.gz LLYPDKCTAMIVOH-UHFFFAOYSA-N -1 1 344.400 2.099 20 0 EEADMM CC[C@H](CNC(=O)c1cc(F)cc(F)c1)NC(=O)c1ncccc1[O-] ZINC001432820120 1341402272 /nfs/dbraw/zinc/40/22/72/1341402272.db2.gz BCOLBLCIKDYFBK-CYBMUJFWSA-N -1 1 349.337 2.004 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C1(C)C ZINC001434113587 1341768152 /nfs/dbraw/zinc/76/81/52/1341768152.db2.gz SPMSECJYSRKXQI-NWDGAFQWSA-N -1 1 335.404 2.209 20 0 EEADMM C[C@@H](c1ccccc1F)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434857407 1341969953 /nfs/dbraw/zinc/96/99/53/1341969953.db2.gz MYOHEBMZWVFTMJ-ZDUSSCGKSA-N -1 1 329.375 2.445 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)c1cc2ncccn2n1 ZINC001556207282 1342425217 /nfs/dbraw/zinc/42/52/17/1342425217.db2.gz YXOGHKJSTQUFKY-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cccc2cc[nH]c21)c1nn[n-]n1 ZINC001562674393 1342540012 /nfs/dbraw/zinc/54/00/12/1342540012.db2.gz SPTOXCXLRSNSCO-NSHDSACASA-N -1 1 331.405 2.297 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccn1 ZINC001575320035 1343776324 /nfs/dbraw/zinc/77/63/24/1343776324.db2.gz QHTURPUJZZBSNU-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccn1 ZINC001575320035 1343776327 /nfs/dbraw/zinc/77/63/27/1343776327.db2.gz QHTURPUJZZBSNU-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM CC1(C)[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001575752311 1343870337 /nfs/dbraw/zinc/87/03/37/1343870337.db2.gz CTJOZOLJNUUABH-CVEARBPZSA-N -1 1 348.410 2.318 20 0 EEADMM CC1(C)[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001575752311 1343870344 /nfs/dbraw/zinc/87/03/44/1343870344.db2.gz CTJOZOLJNUUABH-CVEARBPZSA-N -1 1 348.410 2.318 20 0 EEADMM CC1(NS(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)CCC1 ZINC001575849749 1343903233 /nfs/dbraw/zinc/90/32/33/1343903233.db2.gz VOGXRCNEDRBGTI-UHFFFAOYSA-N -1 1 349.441 2.302 20 0 EEADMM CCCC(=O)NCCC1(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577215464 1344108164 /nfs/dbraw/zinc/10/81/64/1344108164.db2.gz BGNMMAKALWCDNW-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM COc1ccc2[nH]c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2c1 ZINC001580049716 1344458888 /nfs/dbraw/zinc/45/88/88/1344458888.db2.gz PAQBMTQWKDMQGX-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccc2[nH]c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2c1 ZINC001580049716 1344458889 /nfs/dbraw/zinc/45/88/89/1344458889.db2.gz PAQBMTQWKDMQGX-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001580082758 1344468353 /nfs/dbraw/zinc/46/83/53/1344468353.db2.gz BSZHXIZEWICCQV-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM COc1ccccc1C[C@H](C)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001580082758 1344468354 /nfs/dbraw/zinc/46/83/54/1344468354.db2.gz BSZHXIZEWICCQV-JTQLQIEISA-N -1 1 343.412 2.298 20 0 EEADMM Cc1ccc(SCCNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001581214034 1344599245 /nfs/dbraw/zinc/59/92/45/1344599245.db2.gz XDLQFAOZBOMOMA-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM Cc1ccc(SCCNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001581214034 1344599248 /nfs/dbraw/zinc/59/92/48/1344599248.db2.gz XDLQFAOZBOMOMA-UHFFFAOYSA-N -1 1 329.385 2.290 20 0 EEADMM Cc1cnc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C)c1 ZINC001581312078 1344615264 /nfs/dbraw/zinc/61/52/64/1344615264.db2.gz MIBIOVMZVVCKFJ-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1cnc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C)c1 ZINC001581312078 1344615270 /nfs/dbraw/zinc/61/52/70/1344615270.db2.gz MIBIOVMZVVCKFJ-UHFFFAOYSA-N -1 1 344.325 2.087 20 0 EEADMM Cc1nc(NC[C@@]2(O)CCCC(C)(C)CC2)cc(-c2nnn[n-]2)n1 ZINC001581513015 1344632942 /nfs/dbraw/zinc/63/29/42/1344632942.db2.gz JKFXKWQZQMJCFC-MRXNPFEDSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1nc(NC[C@@]2(O)CCCC(C)(C)CC2)cc(-c2nn[n-]n2)n1 ZINC001581513015 1344632945 /nfs/dbraw/zinc/63/29/45/1344632945.db2.gz JKFXKWQZQMJCFC-MRXNPFEDSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)CC(C)C)C2)c1-c1nn[n-]n1 ZINC001581697405 1344655085 /nfs/dbraw/zinc/65/50/85/1344655085.db2.gz JJEFLLBWAMSDEO-ONGXEEELSA-N -1 1 349.464 2.079 20 0 EEADMM Fc1cc(Cl)c2c(c1)CN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001581852570 1344677731 /nfs/dbraw/zinc/67/77/31/1344677731.db2.gz BHHQRTBAJYEIGY-UHFFFAOYSA-N -1 1 331.742 2.012 20 0 EEADMM Fc1cc(Cl)c2c(c1)CN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001581852570 1344677734 /nfs/dbraw/zinc/67/77/34/1344677734.db2.gz BHHQRTBAJYEIGY-UHFFFAOYSA-N -1 1 331.742 2.012 20 0 EEADMM O=C(NC[C@H](O)c1ccccc1Cl)c1csc(-c2nn[n-]n2)c1 ZINC001582381508 1344746987 /nfs/dbraw/zinc/74/69/87/1344746987.db2.gz LFGOAIMIUHAYJJ-NSHDSACASA-N -1 1 349.803 2.045 20 0 EEADMM O=C(Nc1c2c(ccc1Cl)OCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001582631401 1344771327 /nfs/dbraw/zinc/77/13/27/1344771327.db2.gz HMLQQKLGSDYRRH-UHFFFAOYSA-N -1 1 331.719 2.300 20 0 EEADMM O=C(Nc1ccc2c(c1)CCOC2)c1csc(-c2nn[n-]n2)c1 ZINC001582642400 1344775749 /nfs/dbraw/zinc/77/57/49/1344775749.db2.gz IXQXUBSTOCDDOE-UHFFFAOYSA-N -1 1 327.369 2.253 20 0 EEADMM OCc1csc(Sc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC001582813630 1344795738 /nfs/dbraw/zinc/79/57/38/1344795738.db2.gz SHTKRABFIRWORJ-UHFFFAOYSA-N -1 1 332.823 2.077 20 0 EEADMM OCc1csc(Sc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC001582813630 1344795741 /nfs/dbraw/zinc/79/57/41/1344795741.db2.gz SHTKRABFIRWORJ-UHFFFAOYSA-N -1 1 332.823 2.077 20 0 EEADMM Cc1cc(COCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)no1 ZINC001586211036 1348847708 /nfs/dbraw/zinc/84/77/08/1348847708.db2.gz GAQRMDYFKBRSHH-UHFFFAOYSA-N -1 1 328.328 2.030 20 0 EEADMM C=COc1ccc(Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)cc1 ZINC001588717022 1348930342 /nfs/dbraw/zinc/93/03/42/1348930342.db2.gz OYWMMIRGELEABT-UHFFFAOYSA-N -1 1 338.327 2.314 20 0 EEADMM C=COc1ccc(Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)cc1 ZINC001588717022 1348930345 /nfs/dbraw/zinc/93/03/45/1348930345.db2.gz OYWMMIRGELEABT-UHFFFAOYSA-N -1 1 338.327 2.314 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001588766558 1348932843 /nfs/dbraw/zinc/93/28/43/1348932843.db2.gz SZYDEDMLBZKLBR-WEVVVXLNSA-N -1 1 344.375 2.182 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001588766558 1348932844 /nfs/dbraw/zinc/93/28/44/1348932844.db2.gz SZYDEDMLBZKLBR-WEVVVXLNSA-N -1 1 344.375 2.182 20 0 EEADMM CC(=Cc1ccncc1)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001588772375 1348934302 /nfs/dbraw/zinc/93/43/02/1348934302.db2.gz NUAIJNTWIAWBDR-HJWRWDBZSA-N -1 1 341.400 2.093 20 0 EEADMM CC(=Cc1ccncc1)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001588772375 1348934307 /nfs/dbraw/zinc/93/43/07/1348934307.db2.gz NUAIJNTWIAWBDR-HJWRWDBZSA-N -1 1 341.400 2.093 20 0 EEADMM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC001588942554 1348949233 /nfs/dbraw/zinc/94/92/33/1348949233.db2.gz CRGPBTYFCIZSPJ-SECBINFHSA-N -1 1 344.325 2.306 20 0 EEADMM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC001588942554 1348949238 /nfs/dbraw/zinc/94/92/38/1348949238.db2.gz CRGPBTYFCIZSPJ-SECBINFHSA-N -1 1 344.325 2.306 20 0 EEADMM C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001589012218 1348952221 /nfs/dbraw/zinc/95/22/21/1348952221.db2.gz UJZJLYKWGMRVMD-QMMMGPOBSA-N -1 1 341.350 2.349 20 0 EEADMM CC(C)(C)c1csc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001589235922 1348973612 /nfs/dbraw/zinc/97/36/12/1348973612.db2.gz OXRKUICWSQOPPY-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM CC(C)(C)c1csc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001589235922 1348973615 /nfs/dbraw/zinc/97/36/15/1348973615.db2.gz OXRKUICWSQOPPY-UHFFFAOYSA-N -1 1 349.445 2.007 20 0 EEADMM CC(C)c1c(Nc2ccnc(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC001589765280 1349032221 /nfs/dbraw/zinc/03/22/21/1349032221.db2.gz PGPWGFZCLRWOOJ-UHFFFAOYSA-N -1 1 347.386 2.131 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001589793199 1349044779 /nfs/dbraw/zinc/04/47/79/1349044779.db2.gz QEBNJPBVMFKYQU-SECBINFHSA-N -1 1 346.391 2.272 20 0 EEADMM C[C@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001589793199 1349044784 /nfs/dbraw/zinc/04/47/84/1349044784.db2.gz QEBNJPBVMFKYQU-SECBINFHSA-N -1 1 346.391 2.272 20 0 EEADMM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001589796772 1349045272 /nfs/dbraw/zinc/04/52/72/1349045272.db2.gz OJPALFGZHDTHGH-VIFPVBQESA-N -1 1 341.412 2.109 20 0 EEADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC001589869122 1349053297 /nfs/dbraw/zinc/05/32/97/1349053297.db2.gz VBUUBLSAKKXXKU-SECBINFHSA-N -1 1 338.327 2.134 20 0 EEADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC001589869122 1349053301 /nfs/dbraw/zinc/05/33/01/1349053301.db2.gz VBUUBLSAKKXXKU-SECBINFHSA-N -1 1 338.327 2.134 20 0 EEADMM CC(F)(F)CCNc1cc(Br)cnc1-c1nnn[n-]1 ZINC001589910315 1349061180 /nfs/dbraw/zinc/06/11/80/1349061180.db2.gz BHTZRZYSKZQHPN-UHFFFAOYSA-N -1 1 333.140 2.481 20 0 EEADMM CC(F)(F)CCNc1cc(Br)cnc1-c1nn[n-]n1 ZINC001589910315 1349061183 /nfs/dbraw/zinc/06/11/83/1349061183.db2.gz BHTZRZYSKZQHPN-UHFFFAOYSA-N -1 1 333.140 2.481 20 0 EEADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC001589941021 1349071637 /nfs/dbraw/zinc/07/16/37/1349071637.db2.gz JHOULYSFHMSDBM-QMMMGPOBSA-N -1 1 345.309 2.342 20 0 EEADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001589946315 1349072812 /nfs/dbraw/zinc/07/28/12/1349072812.db2.gz OPBWBJKRUIUVRM-VIFPVBQESA-N -1 1 327.319 2.202 20 0 EEADMM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001589946433 1349074698 /nfs/dbraw/zinc/07/46/98/1349074698.db2.gz QFXHWNHUGDWVRR-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001589946433 1349074704 /nfs/dbraw/zinc/07/47/04/1349074704.db2.gz QFXHWNHUGDWVRR-MRVPVSSYSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nccn1-c1ccccc1 ZINC001589980230 1349090633 /nfs/dbraw/zinc/09/06/33/1349090633.db2.gz JHBANQZMJFMTTN-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nccn1-c1ccccc1 ZINC001589980230 1349090640 /nfs/dbraw/zinc/09/06/40/1349090640.db2.gz JHBANQZMJFMTTN-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)C(Cl)(Cl)Cl ZINC001590013213 1349108492 /nfs/dbraw/zinc/10/84/92/1349108492.db2.gz AKIZRCSJBYHLEX-SCSAIBSYSA-N -1 1 325.539 2.375 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)C(Cl)(Cl)Cl ZINC001590013213 1349108498 /nfs/dbraw/zinc/10/84/98/1349108498.db2.gz AKIZRCSJBYHLEX-SCSAIBSYSA-N -1 1 325.539 2.375 20 0 EEADMM CC1(C)C[C@H](Sc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001590084575 1349144744 /nfs/dbraw/zinc/14/47/44/1349144744.db2.gz FWMJEEXBPSNPET-VIFPVBQESA-N -1 1 328.401 2.470 20 0 EEADMM CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590097826 1349154238 /nfs/dbraw/zinc/15/42/38/1349154238.db2.gz OBKUPFQHBRMIMQ-INIZCTEOSA-N -1 1 349.460 2.379 20 0 EEADMM CC1(C)CCC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590097826 1349154245 /nfs/dbraw/zinc/15/42/45/1349154245.db2.gz OBKUPFQHBRMIMQ-INIZCTEOSA-N -1 1 349.460 2.379 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590164587 1349182767 /nfs/dbraw/zinc/18/27/67/1349182767.db2.gz GEEOOIUYSYPMMC-SVRRBLITSA-N -1 1 331.323 2.341 20 0 EEADMM C[C@H]1CC(CCNC(=O)c2ccsc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001590188396 1349188756 /nfs/dbraw/zinc/18/87/56/1349188756.db2.gz CGXRWGWRCZZRHJ-UWVGGRQHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@H]1CC(CCNC(=O)c2ccsc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590188396 1349188761 /nfs/dbraw/zinc/18/87/61/1349188761.db2.gz CGXRWGWRCZZRHJ-UWVGGRQHSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@@H]1CC[C@@](C)(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1(C)C ZINC001590225682 1349210449 /nfs/dbraw/zinc/21/04/49/1349210449.db2.gz VRWFGOOECTYVBS-DOZUWOLPSA-N -1 1 329.408 2.304 20 0 EEADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)c2cccc(F)c2O1 ZINC001590300967 1349251869 /nfs/dbraw/zinc/25/18/69/1349251869.db2.gz MKRKRZOPVGWBAO-QMMMGPOBSA-N -1 1 345.359 2.495 20 0 EEADMM CC[C@@H](C)Oc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccn1 ZINC001590417524 1349314488 /nfs/dbraw/zinc/31/44/88/1349314488.db2.gz XPLIRFQLSNSJCW-MRVPVSSYSA-N -1 1 345.388 2.148 20 0 EEADMM CC[C@@H](C)Oc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccn1 ZINC001590417524 1349314493 /nfs/dbraw/zinc/31/44/93/1349314493.db2.gz XPLIRFQLSNSJCW-MRVPVSSYSA-N -1 1 345.388 2.148 20 0 EEADMM CC[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC001590472525 1349346251 /nfs/dbraw/zinc/34/62/51/1349346251.db2.gz FDDUJFCLHDWKHT-CYBMUJFWSA-N -1 1 338.371 2.018 20 0 EEADMM CC[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC001590472525 1349346254 /nfs/dbraw/zinc/34/62/54/1349346254.db2.gz FDDUJFCLHDWKHT-CYBMUJFWSA-N -1 1 338.371 2.018 20 0 EEADMM CCCC(C)(C)C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001590539269 1349365481 /nfs/dbraw/zinc/36/54/81/1349365481.db2.gz AICFVZLRAGXOFV-UHFFFAOYSA-N -1 1 348.476 2.403 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C12CCC2 ZINC001590789978 1349401036 /nfs/dbraw/zinc/40/10/36/1349401036.db2.gz BRNAUOKCWFTWNL-CHWSQXEVSA-N -1 1 341.419 2.294 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C12CCC2 ZINC001590789978 1349401041 /nfs/dbraw/zinc/40/10/41/1349401041.db2.gz BRNAUOKCWFTWNL-CHWSQXEVSA-N -1 1 341.419 2.294 20 0 EEADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590850326 1349405939 /nfs/dbraw/zinc/40/59/39/1349405939.db2.gz JIUSZLRJJAXJCN-RYUDHWBXSA-N -1 1 335.408 2.410 20 0 EEADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590850326 1349405941 /nfs/dbraw/zinc/40/59/41/1349405941.db2.gz JIUSZLRJJAXJCN-RYUDHWBXSA-N -1 1 335.408 2.410 20 0 EEADMM CCc1nc(NC[C@@H]2CCCC3(CCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001590917860 1349413115 /nfs/dbraw/zinc/41/31/15/1349413115.db2.gz CDZYYXGBZOYNJA-NSHDSACASA-N -1 1 329.408 2.123 20 0 EEADMM CCc1nc(NC[C@@H]2CCCC3(CCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001590917860 1349413119 /nfs/dbraw/zinc/41/31/19/1349413119.db2.gz CDZYYXGBZOYNJA-NSHDSACASA-N -1 1 329.408 2.123 20 0 EEADMM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977479 1349426608 /nfs/dbraw/zinc/42/66/08/1349426608.db2.gz DYCMDWRAVHMXJY-CLTKARDFSA-N -1 1 345.366 2.419 20 0 EEADMM CN(C(=O)C=Cc1ccc2[nH]ccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590977479 1349426614 /nfs/dbraw/zinc/42/66/14/1349426614.db2.gz DYCMDWRAVHMXJY-CLTKARDFSA-N -1 1 345.366 2.419 20 0 EEADMM COCCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591446541 1349484337 /nfs/dbraw/zinc/48/43/37/1349484337.db2.gz YQYSWCWWEZUWRY-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COCCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591446541 1349484351 /nfs/dbraw/zinc/48/43/51/1349484351.db2.gz YQYSWCWWEZUWRY-UHFFFAOYSA-N -1 1 343.343 2.046 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001591621667 1349518467 /nfs/dbraw/zinc/51/84/67/1349518467.db2.gz FRPCTXOTNHTQLW-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001591621667 1349518473 /nfs/dbraw/zinc/51/84/73/1349518473.db2.gz FRPCTXOTNHTQLW-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591625952 1349519344 /nfs/dbraw/zinc/51/93/44/1349519344.db2.gz DQZRQRWWQQOBCF-NSHDSACASA-N -1 1 342.384 2.000 20 0 EEADMM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591625952 1349519350 /nfs/dbraw/zinc/51/93/50/1349519350.db2.gz DQZRQRWWQQOBCF-NSHDSACASA-N -1 1 342.384 2.000 20 0 EEADMM Cc1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc(C)c1O ZINC001591969809 1349571529 /nfs/dbraw/zinc/57/15/29/1349571529.db2.gz OEULEJDPUCSDBM-UHFFFAOYSA-N -1 1 337.387 2.469 20 0 EEADMM Cc1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc(C)c1O ZINC001591969809 1349571537 /nfs/dbraw/zinc/57/15/37/1349571537.db2.gz OEULEJDPUCSDBM-UHFFFAOYSA-N -1 1 337.387 2.469 20 0 EEADMM Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)c1ccc([O-])cc1F ZINC001591988300 1349579866 /nfs/dbraw/zinc/57/98/66/1349579866.db2.gz YWWIKTRAWHHTME-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1cc(N2CC[C@@]3(C2)OCc2ccccc23)cc(-c2nnn[n-]2)n1 ZINC001592002980 1349581060 /nfs/dbraw/zinc/58/10/60/1349581060.db2.gz AYEJZHDANARWQF-SFHVURJKSA-N -1 1 334.383 2.206 20 0 EEADMM Cc1cc(N2CC[C@@]3(C2)OCc2ccccc23)cc(-c2nn[n-]n2)n1 ZINC001592002980 1349581066 /nfs/dbraw/zinc/58/10/66/1349581066.db2.gz AYEJZHDANARWQF-SFHVURJKSA-N -1 1 334.383 2.206 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)nc(-c2nnn[n-]2)c1 ZINC001592043140 1349586946 /nfs/dbraw/zinc/58/69/46/1349586946.db2.gz BBMASQIJLVKAOU-WCBMZHEXSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)nc(-c2nn[n-]n2)c1 ZINC001592043140 1349586948 /nfs/dbraw/zinc/58/69/48/1349586948.db2.gz BBMASQIJLVKAOU-WCBMZHEXSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cccc(C)c1OCCCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC001592228459 1349611867 /nfs/dbraw/zinc/61/18/67/1349611867.db2.gz YSSUIYHFCWDQFX-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC001592226953 1349611893 /nfs/dbraw/zinc/61/18/93/1349611893.db2.gz OLCUJZYSUKRJAU-AWEZNQCLSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@H]2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC001592226953 1349611902 /nfs/dbraw/zinc/61/19/02/1349611902.db2.gz OLCUJZYSUKRJAU-AWEZNQCLSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1nsc(N(C)C(=O)C2CC3(CC3(F)F)C2)c1-c1nnn[n-]1 ZINC001592468825 1349634743 /nfs/dbraw/zinc/63/47/43/1349634743.db2.gz RTSKEMAVPSHMSM-UHFFFAOYSA-N -1 1 340.359 2.030 20 0 EEADMM Cc1nsc(N(C)C(=O)C2CC3(CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001592468825 1349634744 /nfs/dbraw/zinc/63/47/44/1349634744.db2.gz RTSKEMAVPSHMSM-UHFFFAOYSA-N -1 1 340.359 2.030 20 0 EEADMM Cc1nsc(N2CCc3c(F)cc(F)cc3C2)c1-c1nn[n-]n1 ZINC001592476204 1349635733 /nfs/dbraw/zinc/63/57/33/1349635733.db2.gz LXTFPIYUODJETQ-UHFFFAOYSA-N -1 1 334.355 2.473 20 0 EEADMM Cc1nsc(NC[C@@]2(C)COc3ccccc3O2)c1-c1nn[n-]n1 ZINC001592487835 1349636906 /nfs/dbraw/zinc/63/69/06/1349636906.db2.gz FSWQZGFZANTHSL-HNNXBMFYSA-N -1 1 344.400 2.274 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H]1CCN(c2ccccc2)C1 ZINC001592501025 1349637981 /nfs/dbraw/zinc/63/79/81/1349637981.db2.gz HCZVCIQUUYWKQV-CYBMUJFWSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H]1CCN(c2ccccc2)C1 ZINC001592501025 1349637982 /nfs/dbraw/zinc/63/79/82/1349637982.db2.gz HCZVCIQUUYWKQV-CYBMUJFWSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CC1CC1 ZINC001592504514 1349643243 /nfs/dbraw/zinc/64/32/43/1349643243.db2.gz BYZCUSHHMGHIML-UHFFFAOYSA-N -1 1 326.360 2.041 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CC1CC1 ZINC001592504514 1349643245 /nfs/dbraw/zinc/64/32/45/1349643245.db2.gz BYZCUSHHMGHIML-UHFFFAOYSA-N -1 1 326.360 2.041 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592510208 1349643567 /nfs/dbraw/zinc/64/35/67/1349643567.db2.gz FOVGFTMOSLQMIS-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592510208 1349643569 /nfs/dbraw/zinc/64/35/69/1349643569.db2.gz FOVGFTMOSLQMIS-UHFFFAOYSA-N -1 1 334.339 2.498 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@]2(C)CC(C)C)c1-c1nnn[n-]1 ZINC001592515835 1349644416 /nfs/dbraw/zinc/64/44/16/1349644416.db2.gz MEWQLSADMRARFG-MRXNPFEDSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@]2(C)CC(C)C)c1-c1nn[n-]n1 ZINC001592515835 1349644417 /nfs/dbraw/zinc/64/44/17/1349644417.db2.gz MEWQLSADMRARFG-MRXNPFEDSA-N -1 1 332.408 2.133 20 0 EEADMM Clc1ccc(NCCCO[C@@H]2CCCCO2)nc1-c1nnn[n-]1 ZINC001592532329 1349648984 /nfs/dbraw/zinc/64/89/84/1349648984.db2.gz ZWYGYRRETADSBJ-GFCCVEGCSA-N -1 1 338.799 2.260 20 0 EEADMM Clc1ccc(NCCCO[C@@H]2CCCCO2)nc1-c1nn[n-]n1 ZINC001592532329 1349648988 /nfs/dbraw/zinc/64/89/88/1349648988.db2.gz ZWYGYRRETADSBJ-GFCCVEGCSA-N -1 1 338.799 2.260 20 0 EEADMM Clc1nc(NCCc2cn3ccccc3n2)sc1-c1nnn[n-]1 ZINC001592540192 1349652688 /nfs/dbraw/zinc/65/26/88/1349652688.db2.gz HUGXSCPBRRNSJW-UHFFFAOYSA-N -1 1 346.807 2.279 20 0 EEADMM Clc1nc(NCCc2cn3ccccc3n2)sc1-c1nn[n-]n1 ZINC001592540192 1349652692 /nfs/dbraw/zinc/65/26/92/1349652692.db2.gz HUGXSCPBRRNSJW-UHFFFAOYSA-N -1 1 346.807 2.279 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@]2(C)C2CCCCC2)n1 ZINC001592559513 1349657879 /nfs/dbraw/zinc/65/78/79/1349657879.db2.gz UBHQDHQIMJDEQN-MRXNPFEDSA-N -1 1 344.423 2.177 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@]2(C)C2CCCCC2)n1 ZINC001592559513 1349657882 /nfs/dbraw/zinc/65/78/82/1349657882.db2.gz UBHQDHQIMJDEQN-MRXNPFEDSA-N -1 1 344.423 2.177 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001592613628 1349670952 /nfs/dbraw/zinc/67/09/52/1349670952.db2.gz IBYUKIBVEWMJMM-SCZZXKLOSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001592613628 1349670954 /nfs/dbraw/zinc/67/09/54/1349670954.db2.gz IBYUKIBVEWMJMM-SCZZXKLOSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592619014 1349674008 /nfs/dbraw/zinc/67/40/08/1349674008.db2.gz AJURUGAQKJOTAZ-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592619014 1349674013 /nfs/dbraw/zinc/67/40/13/1349674013.db2.gz AJURUGAQKJOTAZ-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)CCO2)cc1 ZINC001592647386 1349692308 /nfs/dbraw/zinc/69/23/08/1349692308.db2.gz RHKOGDNILDTVSI-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)CCO2)cc1 ZINC001592647386 1349692311 /nfs/dbraw/zinc/69/23/11/1349692311.db2.gz RHKOGDNILDTVSI-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1F ZINC001592886152 1349721883 /nfs/dbraw/zinc/72/18/83/1349721883.db2.gz WGPDKBSCMDHKKB-UHFFFAOYSA-N -1 1 332.316 2.107 20 0 EEADMM O=C(Cc1csc(C2CC2)n1)OCc1ccc(-c2nnn[n-]2)o1 ZINC001592932147 1349728661 /nfs/dbraw/zinc/72/86/61/1349728661.db2.gz AYLPMKITPQHLEP-UHFFFAOYSA-N -1 1 331.357 2.080 20 0 EEADMM O=C(Cc1csc(C2CC2)n1)OCc1ccc(-c2nn[n-]n2)o1 ZINC001592932147 1349728667 /nfs/dbraw/zinc/72/86/67/1349728667.db2.gz AYLPMKITPQHLEP-UHFFFAOYSA-N -1 1 331.357 2.080 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001592955460 1349729422 /nfs/dbraw/zinc/72/94/22/1349729422.db2.gz RNHHQQBQRRILBJ-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001592955460 1349729428 /nfs/dbraw/zinc/72/94/28/1349729428.db2.gz RNHHQQBQRRILBJ-INIZCTEOSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593009307 1349733460 /nfs/dbraw/zinc/73/34/60/1349733460.db2.gz LEDZMTKSVRSPTG-UHFFFAOYSA-N -1 1 345.313 2.175 20 0 EEADMM O=C(NCC(F)(F)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593009307 1349733464 /nfs/dbraw/zinc/73/34/64/1349733464.db2.gz LEDZMTKSVRSPTG-UHFFFAOYSA-N -1 1 345.313 2.175 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1(CC2CC2)CC1 ZINC001593137583 1349739867 /nfs/dbraw/zinc/73/98/67/1349739867.db2.gz JKVONARIYOLFMS-UHFFFAOYSA-N -1 1 332.433 2.308 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1(C(F)(F)F)CC1 ZINC001593263170 1349755018 /nfs/dbraw/zinc/75/50/18/1349755018.db2.gz GTQSFJXXHIUVSE-UHFFFAOYSA-N -1 1 338.702 2.258 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593243411 1349748874 /nfs/dbraw/zinc/74/88/74/1349748874.db2.gz KXCYSIMCZQMNDA-SCLBCKFNSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593243411 1349748875 /nfs/dbraw/zinc/74/88/75/1349748875.db2.gz KXCYSIMCZQMNDA-SCLBCKFNSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1csc(-c2nn[n-]n2)c1 ZINC001593248880 1349750520 /nfs/dbraw/zinc/75/05/20/1349750520.db2.gz ZYMSFQCMRXUNHR-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc(-c2nn[n-]n2)o1 ZINC001593267415 1349756097 /nfs/dbraw/zinc/75/60/97/1349756097.db2.gz CYFRXPJMXPBNSZ-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(O[C@H]1CCCc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593279984 1349759594 /nfs/dbraw/zinc/75/95/94/1349759594.db2.gz GWZOTWDGEMURAY-LBPRGKRZSA-N -1 1 338.323 2.204 20 0 EEADMM O=C(OC[C@H]1CC2(CCC2)CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593284475 1349763048 /nfs/dbraw/zinc/76/30/48/1349763048.db2.gz JNSPEJTVVVMIMH-SNVBAGLBSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@H]1CC2(CCC2)CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593284475 1349763050 /nfs/dbraw/zinc/76/30/50/1349763050.db2.gz JNSPEJTVVVMIMH-SNVBAGLBSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OCCN1CCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC001593290731 1349767257 /nfs/dbraw/zinc/76/72/57/1349767257.db2.gz YFESLFKNKGQFGG-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM O=C(OCCN1CCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC001593290731 1349767259 /nfs/dbraw/zinc/76/72/59/1349767259.db2.gz YFESLFKNKGQFGG-UHFFFAOYSA-N -1 1 341.396 2.148 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001593297452 1349770778 /nfs/dbraw/zinc/77/07/78/1349770778.db2.gz JNPKPFUIMNTWQB-KBXCAEBGSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001593297452 1349770781 /nfs/dbraw/zinc/77/07/81/1349770781.db2.gz JNPKPFUIMNTWQB-KBXCAEBGSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1c(Cl)n[nH]c1C1CC1 ZINC001593297468 1349771680 /nfs/dbraw/zinc/77/16/80/1349771680.db2.gz JPIPQLNKIFFMMF-UHFFFAOYSA-N -1 1 334.723 2.071 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1c(Cl)n[nH]c1C1CC1 ZINC001593297468 1349771684 /nfs/dbraw/zinc/77/16/84/1349771684.db2.gz JPIPQLNKIFFMMF-UHFFFAOYSA-N -1 1 334.723 2.071 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)C1SCCCS1 ZINC001593299836 1349772866 /nfs/dbraw/zinc/77/28/66/1349772866.db2.gz ZTXDGXHWHYVGMR-UHFFFAOYSA-N -1 1 328.444 2.168 20 0 EEADMM O=C(O[C@H]1CCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593307360 1349776760 /nfs/dbraw/zinc/77/67/60/1349776760.db2.gz JZSCGRLOQXFVNB-JTQLQIEISA-N -1 1 330.275 2.279 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(Nc2ccccc2)CC1 ZINC001593367015 1349791421 /nfs/dbraw/zinc/79/14/21/1349791421.db2.gz GOOADMOMJDOOGI-UHFFFAOYSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(Nc2ccccc2)CC1 ZINC001593367015 1349791424 /nfs/dbraw/zinc/79/14/24/1349791424.db2.gz GOOADMOMJDOOGI-UHFFFAOYSA-N -1 1 338.371 2.176 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H](C2CCOCC2)C1 ZINC001593371953 1349792893 /nfs/dbraw/zinc/79/28/93/1349792893.db2.gz XHORTQOVEKHQTJ-LBPRGKRZSA-N -1 1 347.444 2.207 20 0 EEADMM O=S(=O)(CCC1CC1)[N-]c1ccc(Cl)cc1-c1nn[nH]n1 ZINC001593418217 1349800327 /nfs/dbraw/zinc/80/03/27/1349800327.db2.gz NTDDJQLHBMAEIO-UHFFFAOYSA-N -1 1 327.797 2.062 20 0 EEADMM OC1(C[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001593511683 1349825906 /nfs/dbraw/zinc/82/59/06/1349825906.db2.gz ZRQCIDNMXZTHIT-ZDUSSCGKSA-N -1 1 343.435 2.101 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001593539546 1349836510 /nfs/dbraw/zinc/83/65/10/1349836510.db2.gz AJKLLCSEHZHROP-SSDOTTSWSA-N -1 1 334.792 2.262 20 0 EEADMM Oc1cccc2c1C[C@H](Nc1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001593539546 1349836512 /nfs/dbraw/zinc/83/65/12/1349836512.db2.gz AJKLLCSEHZHROP-SSDOTTSWSA-N -1 1 334.792 2.262 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(-c3nn[n-]n3)c(Cl)s1)CC2 ZINC001593539862 1349836576 /nfs/dbraw/zinc/83/65/76/1349836576.db2.gz JSPCJDXNUQPEIC-UHFFFAOYSA-N -1 1 348.819 2.287 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCC2(CCCCO2)CC1 ZINC001593544043 1349840086 /nfs/dbraw/zinc/84/00/86/1349840086.db2.gz QLMDFLGNXAMJCH-UHFFFAOYSA-N -1 1 341.419 2.074 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCC2(CCCCO2)CC1 ZINC001593544043 1349840092 /nfs/dbraw/zinc/84/00/92/1349840092.db2.gz QLMDFLGNXAMJCH-UHFFFAOYSA-N -1 1 341.419 2.074 20 0 EEADMM c1cc(CNc2nc(C3CCCC3)ns2)cc(-c2nnn[n-]2)n1 ZINC001593556927 1349846938 /nfs/dbraw/zinc/84/69/38/1349846938.db2.gz DSOFUCZZCIVPRY-UHFFFAOYSA-N -1 1 328.405 2.383 20 0 EEADMM c1cc(CNc2nc(C3CCCC3)ns2)cc(-c2nn[n-]n2)n1 ZINC001593556927 1349846939 /nfs/dbraw/zinc/84/69/39/1349846939.db2.gz DSOFUCZZCIVPRY-UHFFFAOYSA-N -1 1 328.405 2.383 20 0 EEADMM c1ccc([C@H]2CCC[C@@H](COc3cnc(-c4nn[n-]n4)nc3)O2)cc1 ZINC001593570712 1349855449 /nfs/dbraw/zinc/85/54/49/1349855449.db2.gz HPFVDVBZHMMHPY-DZGCQCFKSA-N -1 1 338.371 2.346 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1nncn1Cc1ccccc1 ZINC001593576214 1349859099 /nfs/dbraw/zinc/85/90/99/1349859099.db2.gz QUEKGKQBIQYNLY-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1cnc(-c2nnn[n-]2)cn1 ZINC001593581053 1349862202 /nfs/dbraw/zinc/86/22/02/1349862202.db2.gz ZTUKFKONIJLBDG-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1cnc(-c2nn[n-]n2)cn1 ZINC001593581053 1349862204 /nfs/dbraw/zinc/86/22/04/1349862204.db2.gz ZTUKFKONIJLBDG-ZDUSSCGKSA-N -1 1 326.385 2.063 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cc(F)ccc3Cl)nc2n1 ZINC001595392763 1349885461 /nfs/dbraw/zinc/88/54/61/1349885461.db2.gz UOMNKPUDONRTNS-UHFFFAOYSA-N -1 1 349.753 2.415 20 0 EEADMM Cc1c(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cnc2ccccc12 ZINC001599976794 1349949297 /nfs/dbraw/zinc/94/92/97/1349949297.db2.gz MCHHNSYNSJILMY-ZDUSSCGKSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC001600359292 1350029637 /nfs/dbraw/zinc/02/96/37/1350029637.db2.gz YVLXFRAFNRIQRL-OAHLLOKOSA-N -1 1 349.431 2.172 20 0 EEADMM Cc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c(Br)c1 ZINC001600412798 1350044218 /nfs/dbraw/zinc/04/42/18/1350044218.db2.gz LKDVGUNHBMPKHF-AWEZNQCLSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1cccc(NC(=O)[C@H](C)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001600540494 1350077014 /nfs/dbraw/zinc/07/70/14/1350077014.db2.gz JKYGVUIBLPVUDG-ZDUSSCGKSA-N -1 1 345.399 2.018 20 0 EEADMM Cc1cccc(NC(=O)[C@@H](C)N2CCC3(CC(C(=O)[O-])=NO3)CC2)c1 ZINC001600540493 1350077126 /nfs/dbraw/zinc/07/71/26/1350077126.db2.gz JKYGVUIBLPVUDG-CYBMUJFWSA-N -1 1 345.399 2.018 20 0 EEADMM Cc1cccc(NC(=O)N2CCN(CC3(CC(=O)[O-])CC3)CC2)c1 ZINC001600540782 1350077339 /nfs/dbraw/zinc/07/73/39/1350077339.db2.gz OWHVZTAYIUOIKT-UHFFFAOYSA-N -1 1 331.416 2.399 20 0 EEADMM Cc1nc([C@@H]2CCN(Cc3ccccc3O[C@H](C)C(=O)[O-])C2)no1 ZINC001600696254 1350117645 /nfs/dbraw/zinc/11/76/45/1350117645.db2.gz BSJCTRHNMYVYGD-BXUZGUMPSA-N -1 1 331.372 2.219 20 0 EEADMM Cc1n[nH]c(CCNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC001600698623 1350118391 /nfs/dbraw/zinc/11/83/91/1350118391.db2.gz MVUPCEBZNURYGI-UHFFFAOYSA-N -1 1 345.384 2.390 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC001600825226 1350145269 /nfs/dbraw/zinc/14/52/69/1350145269.db2.gz BOSBQHNLOOWLOI-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cn1c(=O)oc2ccc(CN3CCc4cccc(C(=O)[O-])c4C3)cc21 ZINC001600898620 1350162356 /nfs/dbraw/zinc/16/23/56/1350162356.db2.gz XAIYFXXRNQVRCD-UHFFFAOYSA-N -1 1 338.363 2.388 20 0 EEADMM Cn1cc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1C(=O)[O-] ZINC001600951906 1350175587 /nfs/dbraw/zinc/17/55/87/1350175587.db2.gz QNEINQWXTNRLPQ-UHFFFAOYSA-N -1 1 333.363 2.301 20 0 EEADMM Nc1nc(Br)ccc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001601219608 1350234483 /nfs/dbraw/zinc/23/44/83/1350234483.db2.gz JWSMEPVIHOSQJB-PEXQALLHSA-N -1 1 340.221 2.111 20 0 EEADMM Nc1nnc([C@H]2CCCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C2)o1 ZINC001601222660 1350235717 /nfs/dbraw/zinc/23/57/17/1350235717.db2.gz IMAWGHHTKGFJLW-JTQLQIEISA-N -1 1 336.779 2.383 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC001601309278 1350254652 /nfs/dbraw/zinc/25/46/52/1350254652.db2.gz BJHMIXZZNQUKTQ-LSDHHAIUSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])[C@H](OC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1F ZINC001601375542 1350269608 /nfs/dbraw/zinc/26/96/08/1350269608.db2.gz PUKMYONHLPPSED-MRXNPFEDSA-N -1 1 332.331 2.339 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC001601588993 1350313757 /nfs/dbraw/zinc/31/37/57/1350313757.db2.gz ZJURLGDIXVAAAC-SNVBAGLBSA-N -1 1 334.763 2.440 20 0 EEADMM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC001601615043 1350320093 /nfs/dbraw/zinc/32/00/93/1350320093.db2.gz BVKXDNUTCAUDKJ-ZIAGYGMSSA-N -1 1 335.429 2.086 20 0 EEADMM O=C([O-])[C@H](NC[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1F ZINC001601672817 1350334243 /nfs/dbraw/zinc/33/42/43/1350334243.db2.gz WPESLHOQHIZYKA-BDJLRTHQSA-N -1 1 349.383 2.112 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc3cnccc31)C[C@H]2C(=O)[O-] ZINC001601777961 1350362741 /nfs/dbraw/zinc/36/27/41/1350362741.db2.gz BBNBNRPLZVBRQA-RCDNUKIMSA-N -1 1 340.379 2.232 20 0 EEADMM O=C([O-])CCN(Cc1ccncc1)C(=O)c1c2[nH]cnc2ccc1F ZINC001602008997 1350417584 /nfs/dbraw/zinc/41/75/84/1350417584.db2.gz GVBRJYOGRYYLFQ-UHFFFAOYSA-N -1 1 342.330 2.214 20 0 EEADMM O=C([O-])CCNC(=O)CNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001602021119 1350419788 /nfs/dbraw/zinc/41/97/88/1350419788.db2.gz DKQDOTDVOCADLW-UHFFFAOYSA-N -1 1 344.333 2.265 20 0 EEADMM O=C([O-])CCS(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001602028360 1350421498 /nfs/dbraw/zinc/42/14/98/1350421498.db2.gz ABEBLSIJZURWIF-UHFFFAOYSA-N -1 1 343.735 2.200 20 0 EEADMM O=C([O-])Cc1ccccc1CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC001602144923 1350450370 /nfs/dbraw/zinc/45/03/70/1350450370.db2.gz YBGYUEDIPLXYPM-QGZVFWFLSA-N -1 1 342.395 2.188 20 0 EEADMM O=C([O-])Cc1ccccc1CNCc1cnc(C2OCCO2)s1 ZINC001602147060 1350451163 /nfs/dbraw/zinc/45/11/63/1350451163.db2.gz RVJFUPGZNQTQCQ-UHFFFAOYSA-N -1 1 334.397 2.105 20 0 EEADMM O=C([O-])[C@@H]1C[N@H+](Cc2ncc(Br)cc2[O-])C[C@H]1C1CC1 ZINC001602190606 1350461818 /nfs/dbraw/zinc/46/18/18/1350461818.db2.gz ZNKSCGJRPZEWJV-WDEREUQCSA-N -1 1 341.205 2.092 20 0 EEADMM O=C([O-])[C@@H]1C[N@@H+](Cc2ncc(Br)cc2[O-])C[C@H]1C1CC1 ZINC001602190606 1350461827 /nfs/dbraw/zinc/46/18/27/1350461827.db2.gz ZNKSCGJRPZEWJV-WDEREUQCSA-N -1 1 341.205 2.092 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C[C@@H]2COc3ccccc3O2)C1 ZINC001602219673 1350469362 /nfs/dbraw/zinc/46/93/62/1350469362.db2.gz TYZYJHFGUKGGNC-QJPTWQEYSA-N -1 1 345.317 2.411 20 0 EEADMM O=C([O-])c1cc(COC(=O)c2ccc(CN3CCCCC3)o2)on1 ZINC001602260718 1350480782 /nfs/dbraw/zinc/48/07/82/1350480782.db2.gz FDNZDXFZZXCSLX-UHFFFAOYSA-N -1 1 334.328 2.309 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cn1 ZINC001602386010 1350508101 /nfs/dbraw/zinc/50/81/01/1350508101.db2.gz VUKYDQALHHOTPJ-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CCC[C@](O)(C4CC4)C3)c2c1 ZINC001602407076 1350512504 /nfs/dbraw/zinc/51/25/04/1350512504.db2.gz MFYAGLYMBXHKMX-LJQANCHMSA-N -1 1 342.395 2.286 20 0 EEADMM O=C([O-])c1cccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)n1 ZINC001602430564 1350518234 /nfs/dbraw/zinc/51/82/34/1350518234.db2.gz MNIAGWHFMGSDMN-UHFFFAOYSA-N -1 1 348.322 2.206 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ncc4n3CCCC4)[nH]c21 ZINC001602454040 1350522931 /nfs/dbraw/zinc/52/29/31/1350522931.db2.gz FNOMDMBFBCLXGF-UHFFFAOYSA-N -1 1 325.328 2.046 20 0 EEADMM O=C([O-])c1cn(-c2cccc(NC(=O)c3c(O)cccc3F)c2)nn1 ZINC001602494996 1350531986 /nfs/dbraw/zinc/53/19/86/1350531986.db2.gz MOHSVSXTJRHXOC-UHFFFAOYSA-N -1 1 342.286 2.063 20 0 EEADMM O=C([O-])c1cnc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)s1 ZINC001602521618 1350537414 /nfs/dbraw/zinc/53/74/14/1350537414.db2.gz WOIDZSCSCJWAIK-LLVKDONJSA-N -1 1 331.397 2.016 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC2(CC1)OCCc1ccccc12 ZINC001602547793 1350543627 /nfs/dbraw/zinc/54/36/27/1350543627.db2.gz ZZDBZQVIGPIBIO-UHFFFAOYSA-N -1 1 328.368 2.437 20 0 EEADMM O=C([O-])c1nc(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)ccc1Cl ZINC001602568728 1350549032 /nfs/dbraw/zinc/54/90/32/1350549032.db2.gz HMYHXJBCZYHUGT-VXGBXAGGSA-N -1 1 344.770 2.157 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001602900064 1350601919 /nfs/dbraw/zinc/60/19/19/1350601919.db2.gz AIOZBJWAHGMSKS-UKTHLTGXSA-N -1 1 334.383 2.290 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001602900064 1350601923 /nfs/dbraw/zinc/60/19/23/1350601923.db2.gz AIOZBJWAHGMSKS-UKTHLTGXSA-N -1 1 334.383 2.290 20 0 EEADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603271651 1350675699 /nfs/dbraw/zinc/67/56/99/1350675699.db2.gz ZKVOWNWHIOWMIG-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603271651 1350675703 /nfs/dbraw/zinc/67/57/03/1350675703.db2.gz ZKVOWNWHIOWMIG-GHMZBOCLSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)[O-])CC[C@H]1C(F)(F)F ZINC001603449464 1350706945 /nfs/dbraw/zinc/70/69/45/1350706945.db2.gz PUDAYGUFYLRUDW-NXEZZACHSA-N -1 1 340.342 2.239 20 0 EEADMM CC1(C)CCC[C@H](OC(=O)c2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001603775304 1350764998 /nfs/dbraw/zinc/76/49/98/1350764998.db2.gz WCYXTSAVGPIJKX-NSHDSACASA-N -1 1 332.335 2.310 20 0 EEADMM CC1(C)CCC[C@H](OC(=O)c2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603775304 1350765002 /nfs/dbraw/zinc/76/50/02/1350765002.db2.gz WCYXTSAVGPIJKX-NSHDSACASA-N -1 1 332.335 2.310 20 0 EEADMM C[C@H]1CC[C@](C[NH2+]Cc2csc(-c3nn[n-]n3)c2)(CC(=O)[O-])C1 ZINC001603878566 1350790472 /nfs/dbraw/zinc/79/04/72/1350790472.db2.gz UPAKLGFJUZNFNW-ZUZCIYMTSA-N -1 1 335.433 2.299 20 0 EEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001603941085 1350809165 /nfs/dbraw/zinc/80/91/65/1350809165.db2.gz OYXAJZRDVAZRHI-LLVKDONJSA-N -1 1 344.371 2.349 20 0 EEADMM CC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(OC)cc1 ZINC001603978530 1350817442 /nfs/dbraw/zinc/81/74/42/1350817442.db2.gz FQJMTMNIXBOTEP-CYBMUJFWSA-N -1 1 338.371 2.403 20 0 EEADMM CC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(OC)cc1 ZINC001603978530 1350817447 /nfs/dbraw/zinc/81/74/47/1350817447.db2.gz FQJMTMNIXBOTEP-CYBMUJFWSA-N -1 1 338.371 2.403 20 0 EEADMM CCC1(CC)[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)o2)C[C@@H]1OC ZINC001604085822 1350850536 /nfs/dbraw/zinc/85/05/36/1350850536.db2.gz MAOWRYQDNGPZFI-OLZOCXBDSA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)C[C@@H]1OC ZINC001604085822 1350850538 /nfs/dbraw/zinc/85/05/38/1350850538.db2.gz MAOWRYQDNGPZFI-OLZOCXBDSA-N -1 1 333.392 2.125 20 0 EEADMM CCCO[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001604228787 1350898326 /nfs/dbraw/zinc/89/83/26/1350898326.db2.gz HLBKOWIQYGSDAW-ZDUSSCGKSA-N -1 1 343.435 2.320 20 0 EEADMM CCCO[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001604228787 1350898329 /nfs/dbraw/zinc/89/83/29/1350898329.db2.gz HLBKOWIQYGSDAW-ZDUSSCGKSA-N -1 1 343.435 2.320 20 0 EEADMM CCCc1cc(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)sc1C ZINC001604244043 1350901450 /nfs/dbraw/zinc/90/14/50/1350901450.db2.gz GBORJPVJTOEKPM-UHFFFAOYSA-N -1 1 331.405 2.473 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nnn[n-]3)ncn2)C12CCCCC2 ZINC001604409695 1350931892 /nfs/dbraw/zinc/93/18/92/1350931892.db2.gz XERXQWNVBKGARZ-KGLIPLIRSA-N -1 1 343.435 2.221 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)c2cc(-c3nn[n-]n3)ncn2)C12CCCCC2 ZINC001604409695 1350931896 /nfs/dbraw/zinc/93/18/96/1350931896.db2.gz XERXQWNVBKGARZ-KGLIPLIRSA-N -1 1 343.435 2.221 20 0 EEADMM C[C@@H](Oc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[S@]2=O)C(=O)[O-] ZINC001604442754 1350939197 /nfs/dbraw/zinc/93/91/97/1350939197.db2.gz GCLZAAURMFMIQS-DDVRHSHMSA-N -1 1 337.441 2.024 20 0 EEADMM C[C@]1(Br)C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604482836 1350947186 /nfs/dbraw/zinc/94/71/86/1350947186.db2.gz LOKMBXZCFPABBP-UHLUBPPHSA-N -1 1 338.161 2.373 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001604485407 1350947578 /nfs/dbraw/zinc/94/75/78/1350947578.db2.gz WQHULDBHQQTYFK-LLVKDONJSA-N -1 1 349.441 2.358 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001604485407 1350947580 /nfs/dbraw/zinc/94/75/80/1350947580.db2.gz WQHULDBHQQTYFK-LLVKDONJSA-N -1 1 349.441 2.358 20 0 EEADMM CCc1c(NC(=O)c2ccc(-c3nn[n-]n3)o2)onc1C(F)(F)F ZINC001604504252 1350950555 /nfs/dbraw/zinc/95/05/55/1350950555.db2.gz NQXWSCJXGNSHOR-UHFFFAOYSA-N -1 1 342.237 2.281 20 0 EEADMM CCc1ccc(OCC(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001604524974 1350954644 /nfs/dbraw/zinc/95/46/44/1350954644.db2.gz PTXUKNAZQBOJON-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM CCc1ccc(OCC(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001604524974 1350954649 /nfs/dbraw/zinc/95/46/49/1350954649.db2.gz PTXUKNAZQBOJON-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC001604525013 1350954713 /nfs/dbraw/zinc/95/47/13/1350954713.db2.gz QWMCHMSDPNONFR-UHFFFAOYSA-N -1 1 329.385 2.230 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N(C)Cc2cc3ccccc3[nH]2)n1 ZINC001604541590 1350958290 /nfs/dbraw/zinc/95/82/90/1350958290.db2.gz AMOQFMDQTNUMTD-UHFFFAOYSA-N -1 1 334.387 2.337 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N(C)Cc2cc3ccccc3[nH]2)n1 ZINC001604541590 1350958293 /nfs/dbraw/zinc/95/82/93/1350958293.db2.gz AMOQFMDQTNUMTD-UHFFFAOYSA-N -1 1 334.387 2.337 20 0 EEADMM CCc1nc2ccccc2c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1C ZINC001604570378 1350962261 /nfs/dbraw/zinc/96/22/61/1350962261.db2.gz DTAPBFAKEWFTOV-UHFFFAOYSA-N -1 1 348.370 2.261 20 0 EEADMM CCc1nc2ccccc2c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1C ZINC001604570378 1350962265 /nfs/dbraw/zinc/96/22/65/1350962265.db2.gz DTAPBFAKEWFTOV-UHFFFAOYSA-N -1 1 348.370 2.261 20 0 EEADMM CCc1nnc(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)s1 ZINC001604583269 1350964834 /nfs/dbraw/zinc/96/48/34/1350964834.db2.gz DWLSXQMYJYFPGM-UHFFFAOYSA-N -1 1 332.418 2.099 20 0 EEADMM CCc1nnc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)s1 ZINC001604583269 1350964835 /nfs/dbraw/zinc/96/48/35/1350964835.db2.gz DWLSXQMYJYFPGM-UHFFFAOYSA-N -1 1 332.418 2.099 20 0 EEADMM CCn1c2ccccc2nc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604598456 1350967595 /nfs/dbraw/zinc/96/75/95/1350967595.db2.gz BYXVVJUHNYBXCF-UHFFFAOYSA-N -1 1 337.343 2.390 20 0 EEADMM CCn1c2ccccc2nc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604598456 1350967597 /nfs/dbraw/zinc/96/75/97/1350967597.db2.gz BYXVVJUHNYBXCF-UHFFFAOYSA-N -1 1 337.343 2.390 20 0 EEADMM CCn1nc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C1CC1 ZINC001604617802 1350971233 /nfs/dbraw/zinc/97/12/33/1350971233.db2.gz KCONJLHNVIXNKR-UHFFFAOYSA-N -1 1 341.350 2.352 20 0 EEADMM CCn1nc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C1CC1 ZINC001604617802 1350971236 /nfs/dbraw/zinc/97/12/36/1350971236.db2.gz KCONJLHNVIXNKR-UHFFFAOYSA-N -1 1 341.350 2.352 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001604643705 1350975463 /nfs/dbraw/zinc/97/54/63/1350975463.db2.gz SPYKOISPCWEJEI-NEPJUHHUSA-N -1 1 346.439 2.279 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001604643705 1350975467 /nfs/dbraw/zinc/97/54/67/1350975467.db2.gz SPYKOISPCWEJEI-NEPJUHHUSA-N -1 1 346.439 2.279 20 0 EEADMM CN(CCc1ccncc1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001604792187 1351005424 /nfs/dbraw/zinc/00/54/24/1351005424.db2.gz PSJDBHXWLFWULE-UHFFFAOYSA-N -1 1 349.320 2.354 20 0 EEADMM CN(CCc1ccncc1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001604792187 1351005428 /nfs/dbraw/zinc/00/54/28/1351005428.db2.gz PSJDBHXWLFWULE-UHFFFAOYSA-N -1 1 349.320 2.354 20 0 EEADMM CO[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001605008808 1351052568 /nfs/dbraw/zinc/05/25/68/1351052568.db2.gz LHDJGYXBSFQFOY-CQSZACIVSA-N -1 1 330.779 2.137 20 0 EEADMM CO[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001605008808 1351052573 /nfs/dbraw/zinc/05/25/73/1351052573.db2.gz LHDJGYXBSFQFOY-CQSZACIVSA-N -1 1 330.779 2.137 20 0 EEADMM CC[C@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1nnc2n1CCCCC2 ZINC001605097733 1351077971 /nfs/dbraw/zinc/07/79/71/1351077971.db2.gz ZSCKIQIGQAPASA-OCCSQVGLSA-N -1 1 334.420 2.193 20 0 EEADMM COc1cc(C)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC001605203258 1351101975 /nfs/dbraw/zinc/10/19/75/1351101975.db2.gz CWNMDDFEPXIDNP-UHFFFAOYSA-N -1 1 339.355 2.450 20 0 EEADMM COc1ccc(CC(=O)Nc2snc(C)c2-c2nnn[n-]2)c(C)c1 ZINC001605270199 1351120682 /nfs/dbraw/zinc/12/06/82/1351120682.db2.gz UOVPAAPKMMGJID-UHFFFAOYSA-N -1 1 344.400 2.130 20 0 EEADMM COc1ccc(CC(=O)Nc2snc(C)c2-c2nn[n-]n2)c(C)c1 ZINC001605270199 1351120684 /nfs/dbraw/zinc/12/06/84/1351120684.db2.gz 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ZINC001605630645 1351205779 /nfs/dbraw/zinc/20/57/79/1351205779.db2.gz VKYVHHQMNVJYHW-UHFFFAOYSA-N -1 1 332.389 2.371 20 0 EEADMM Cc1ccc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c(C2CC2)n1 ZINC001605824700 1351229892 /nfs/dbraw/zinc/22/98/92/1351229892.db2.gz AKKKPLBISLRQEK-UHFFFAOYSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1ccc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c(C2CC2)n1 ZINC001605824700 1351229897 /nfs/dbraw/zinc/22/98/97/1351229897.db2.gz AKKKPLBISLRQEK-UHFFFAOYSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001605919504 1351253602 /nfs/dbraw/zinc/25/36/02/1351253602.db2.gz BTZIJLPBHYRNRT-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccccc1C1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001605935895 1351256329 /nfs/dbraw/zinc/25/63/29/1351256329.db2.gz XLSQLVBXAREXME-UHFFFAOYSA-N -1 1 334.383 2.032 20 0 EEADMM Cc1ccccc1C1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001605935895 1351256330 /nfs/dbraw/zinc/25/63/30/1351256330.db2.gz XLSQLVBXAREXME-UHFFFAOYSA-N -1 1 334.383 2.032 20 0 EEADMM Cc1ccnc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc12 ZINC001605959809 1351259476 /nfs/dbraw/zinc/25/94/76/1351259476.db2.gz DPJDPWSHRSBFIG-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ccnc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc12 ZINC001605959809 1351259479 /nfs/dbraw/zinc/25/94/79/1351259479.db2.gz DPJDPWSHRSBFIG-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1ncc(Br)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001606085731 1351268085 /nfs/dbraw/zinc/26/80/85/1351268085.db2.gz RMYUPHJYBODLJJ-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC001606164722 1351280123 /nfs/dbraw/zinc/28/01/23/1351280123.db2.gz FBYMAWNOKFBWGU-JTQLQIEISA-N -1 1 341.371 2.177 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC001606164722 1351280127 /nfs/dbraw/zinc/28/01/27/1351280127.db2.gz FBYMAWNOKFBWGU-JTQLQIEISA-N -1 1 341.371 2.177 20 0 EEADMM Clc1cc2c(s1)CCC[C@H]2Nc1ccnc(-c2nn[n-]n2)n1 ZINC001606190094 1351283804 /nfs/dbraw/zinc/28/38/04/1351283804.db2.gz UMFCTISGZQBTAL-MRVPVSSYSA-N -1 1 333.808 2.283 20 0 EEADMM Clc1sc(N2CCOc3ccccc3C2)nc1-c1nn[n-]n1 ZINC001606201131 1351284596 /nfs/dbraw/zinc/28/45/96/1351284596.db2.gz VELUIIZDFBZZPO-UHFFFAOYSA-N -1 1 334.792 2.376 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2ncccn2)c1-c1nnn[n-]1 ZINC001606200947 1351284721 /nfs/dbraw/zinc/28/47/21/1351284721.db2.gz MRKIHJYHYMZZPJ-QMMMGPOBSA-N -1 1 348.823 2.498 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2ncccn2)c1-c1nn[n-]n1 ZINC001606200947 1351284722 /nfs/dbraw/zinc/28/47/22/1351284722.db2.gz MRKIHJYHYMZZPJ-QMMMGPOBSA-N -1 1 348.823 2.498 20 0 EEADMM Fc1cccc(OC[C@H]2CCC[C@]3(CCOC3)O2)c1-c1nnn[n-]1 ZINC001606328773 1351293072 /nfs/dbraw/zinc/29/30/72/1351293072.db2.gz HUQAZNPKAQGNBF-BDJLRTHQSA-N -1 1 334.351 2.113 20 0 EEADMM Fc1cccc(OC[C@H]2CCC[C@]3(CCOC3)O2)c1-c1nn[n-]n1 ZINC001606328773 1351293076 /nfs/dbraw/zinc/29/30/76/1351293076.db2.gz HUQAZNPKAQGNBF-BDJLRTHQSA-N -1 1 334.351 2.113 20 0 EEADMM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1CC[C@H](C)OCc1ccccc1 ZINC001606376957 1351298288 /nfs/dbraw/zinc/29/82/88/1351298288.db2.gz XMJZEYYRTZAHFF-XIRDDKMYSA-N -1 1 349.427 2.320 20 0 EEADMM CO[C@H](CN[C@H](C(=O)[O-])c1c(F)cccc1Cl)[C@H]1CCOC1 ZINC001606676403 1351341148 /nfs/dbraw/zinc/34/11/48/1351341148.db2.gz OXGIZDUUFDVLHN-BHYNMZESSA-N -1 1 331.771 2.246 20 0 EEADMM O=C(NCCOC1CCCCCC1)c1ccsc1-c1nnn[n-]1 ZINC001606787158 1351356549 /nfs/dbraw/zinc/35/65/49/1351356549.db2.gz QMXRYSZZALPBQN-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(NCCOC1CCCCCC1)c1ccsc1-c1nn[n-]n1 ZINC001606787158 1351356555 /nfs/dbraw/zinc/35/65/55/1351356555.db2.gz QMXRYSZZALPBQN-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(F)c1F ZINC001606830483 1351363496 /nfs/dbraw/zinc/36/34/96/1351363496.db2.gz FOTNZUPQMXMOFM-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCc2sccc21 ZINC001606842048 1351365864 /nfs/dbraw/zinc/36/58/64/1351365864.db2.gz 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ZINC001606978765 1351390823 /nfs/dbraw/zinc/39/08/23/1351390823.db2.gz HLJRDYTXZUZBMD-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O[C@H](c1nccn1Cc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001607096464 1351416183 /nfs/dbraw/zinc/41/61/83/1351416183.db2.gz CURLKPDEFJASNJ-HNNXBMFYSA-N -1 1 339.403 2.120 20 0 EEADMM O[C@H](c1nccn1Cc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001607096464 1351416186 /nfs/dbraw/zinc/41/61/86/1351416186.db2.gz CURLKPDEFJASNJ-HNNXBMFYSA-N -1 1 339.403 2.120 20 0 EEADMM c1nc(-c2nnn[n-]2)cc(N2CCC(OCC3CCCCC3)CC2)n1 ZINC001607136741 1351435924 /nfs/dbraw/zinc/43/59/24/1351435924.db2.gz REDYVUYWUBLZTP-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM c1nc(-c2nn[n-]n2)cc(N2CCC(OCC3CCCCC3)CC2)n1 ZINC001607136741 1351435928 /nfs/dbraw/zinc/43/59/28/1351435928.db2.gz REDYVUYWUBLZTP-UHFFFAOYSA-N -1 1 343.435 2.222 20 0 EEADMM COc1cc(OC)cc([C@@H](O)CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001607187226 1351445630 /nfs/dbraw/zinc/44/56/30/1351445630.db2.gz RSLWJGNCVBOHJP-OSJSJHBBSA-N -1 1 347.367 2.218 20 0 EEADMM COc1cccc(C[C@H](N[C@H](C)C(=O)NC2CCCCC2)C(=O)[O-])c1 ZINC001607318968 1351472356 /nfs/dbraw/zinc/47/23/56/1351472356.db2.gz KDWNDXHJBUFWIH-DYVFJYSZSA-N -1 1 348.443 2.118 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@@H]1CCCOc2cc(Cl)ccc21)C(=O)[O-] ZINC001607459875 1351497434 /nfs/dbraw/zinc/49/74/34/1351497434.db2.gz KZQMFPDQVSVFRY-OUJBWJOFSA-N -1 1 340.807 2.121 20 0 EEADMM Cc1cc(CNCCNC(=O)OCc2ccccc2)oc1C(=O)[O-] ZINC001607650333 1351533515 /nfs/dbraw/zinc/53/35/15/1351533515.db2.gz WXKPCHHFDVDVFD-UHFFFAOYSA-N -1 1 332.356 2.302 20 0 EEADMM Cc1ccc(-c2n[nH]cc2CN[C@H]2CCCn3nc(C(=O)[O-])cc32)o1 ZINC001607717385 1351545452 /nfs/dbraw/zinc/54/54/52/1351545452.db2.gz JBHKANDLYHMBPH-LBPRGKRZSA-N -1 1 341.371 2.498 20 0 EEADMM Cc1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001607798192 1351561164 /nfs/dbraw/zinc/56/11/64/1351561164.db2.gz QEDRYVCOXBYQIA-UHFFFAOYSA-N -1 1 332.278 2.089 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CCC3(CCC(O)CC3)CC2)c1 ZINC001608329795 1351672209 /nfs/dbraw/zinc/67/22/09/1351672209.db2.gz ZQPMQLYRKJYLGL-UHFFFAOYSA-N -1 1 346.427 2.340 20 0 EEADMM CCC(CC)(NC(=O)Cc1coc(-c2ccccc2)n1)c1nn[n-]n1 ZINC001626904220 1352476910 /nfs/dbraw/zinc/47/69/10/1352476910.db2.gz FBZYRIUXXQEOGR-UHFFFAOYSA-N -1 1 340.387 2.229 20 0 EEADMM CC(C)(C)C(=O)CCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647427856 1353273151 /nfs/dbraw/zinc/27/31/51/1353273151.db2.gz XWJOLBDICPUZQN-HNNXBMFYSA-N -1 1 329.404 2.191 20 0 EEADMM O=C(Nc1ccccc1CN1CCCC1=O)c1ccc(O)cc1[O-] ZINC001649746524 1353582271 /nfs/dbraw/zinc/58/22/71/1353582271.db2.gz TWMCJRGWJCPYAI-UHFFFAOYSA-N -1 1 326.352 2.473 20 0 EEADMM O=C([O-])C[C@@H]1COCCN1CCc1ccc(OC(F)(F)F)cc1 ZINC001649865985 1353630792 /nfs/dbraw/zinc/63/07/92/1353630792.db2.gz YOBTXFSYHLUXKA-GFCCVEGCSA-N -1 1 333.306 2.303 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1)C1CCCC1 ZINC001649872684 1353632565 /nfs/dbraw/zinc/63/25/65/1353632565.db2.gz XFYDOYDNPNNQAR-VFNWGFHPSA-N -1 1 345.486 2.371 20 0 EEADMM Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N(C)CCCC(=O)[O-])C2)cc1 ZINC001650324372 1353852543 /nfs/dbraw/zinc/85/25/43/1353852543.db2.gz SDMKPNXVCKHVRW-INIZCTEOSA-N -1 1 333.432 2.076 20 0 EEADMM Cc1cc(-c2noc(CCC(=O)Nc3c[n-][nH]c3=O)n2)ccc1F ZINC001651044703 1354038145 /nfs/dbraw/zinc/03/81/45/1354038145.db2.gz VOVOSWDAVAPRFX-UHFFFAOYSA-N -1 1 331.307 2.184 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C1(F)CCCC1 ZINC001388576544 1387565035 /nfs/dbraw/zinc/56/50/35/1387565035.db2.gz WYNJPVVGILIYGT-UHFFFAOYSA-N -1 1 337.395 2.038 20 0 EEADMM Cc1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccn1C(C)C ZINC000815317015 1367967358 /nfs/dbraw/zinc/96/73/58/1367967358.db2.gz PXGYBZKCMCYUNN-UHFFFAOYSA-N -1 1 328.368 2.491 20 0 EEADMM O=S(=O)([N-][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)nc1F ZINC000867110929 1368496249 /nfs/dbraw/zinc/49/62/49/1368496249.db2.gz BIUWYVSZRYYPFP-UWVGGRQHSA-N -1 1 334.800 2.110 20 0 EEADMM O=C(Nc1ccc2c(=O)[nH]c(=O)[nH]c2c1)c1cc([O-])cnc1Cl ZINC001195306249 1368516248 /nfs/dbraw/zinc/51/62/48/1368516248.db2.gz QRDLKMKVGJAFNP-UHFFFAOYSA-N -1 1 332.703 2.047 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)c1cc(OC)cc(OCC)c1 ZINC001197308083 1368613321 /nfs/dbraw/zinc/61/33/21/1368613321.db2.gz QTGOKCGMJNFJOO-UHFFFAOYSA-N -1 1 333.344 2.246 20 0 EEADMM CN(C)[C@H](CNC(=O)N(CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000780620849 1371168524 /nfs/dbraw/zinc/16/85/24/1371168524.db2.gz WMDDLHWPICYQKB-CQSZACIVSA-N -1 1 339.823 2.201 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000832385356 1372434462 /nfs/dbraw/zinc/43/44/62/1372434462.db2.gz QTLOTFNDDKBBHG-CYBMUJFWSA-N -1 1 349.431 2.072 20 0 EEADMM Cc1nonc1COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000837707189 1372797843 /nfs/dbraw/zinc/79/78/43/1372797843.db2.gz KVRRVKZJUJYARU-UHFFFAOYSA-N -1 1 328.328 2.243 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000837851534 1372809029 /nfs/dbraw/zinc/80/90/29/1372809029.db2.gz WADDEJDSXXLYRO-SWLSCSKDSA-N -1 1 333.384 2.321 20 0 EEADMM O=C([O-])[C@H]1C=C[C@@H](NCc2cn3ccc(Br)cc3n2)C1 ZINC001353944589 1373041887 /nfs/dbraw/zinc/04/18/87/1373041887.db2.gz HRFAPSASNGEBBD-GXSJLCMTSA-N -1 1 336.189 2.216 20 0 EEADMM CC(C)OCCCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340203 1373135841 /nfs/dbraw/zinc/13/58/41/1373135841.db2.gz MPYVHPKVKGBVQP-VXGBXAGGSA-N -1 1 338.370 2.250 20 0 EEADMM CC(=O)Nc1nc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)cs1 ZINC001361599111 1373314543 /nfs/dbraw/zinc/31/45/43/1373314543.db2.gz HJVDEWPJSYGQNE-MRVPVSSYSA-N -1 1 339.402 2.057 20 0 EEADMM COc1ccc(N(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1F ZINC001365051441 1373657702 /nfs/dbraw/zinc/65/77/02/1373657702.db2.gz IIOHFVJLDYEKQI-UHFFFAOYSA-N -1 1 329.335 2.158 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCSC[C@H]2C2CCC2)c1 ZINC001365716229 1373752979 /nfs/dbraw/zinc/75/29/79/1373752979.db2.gz VKROYZSGXXKXPW-ZDUSSCGKSA-N -1 1 343.470 2.307 20 0 EEADMM CCC(CC)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001366137773 1373812508 /nfs/dbraw/zinc/81/25/08/1373812508.db2.gz SOSDZKJKACEWRR-AGUYFDCRSA-N -1 1 349.479 2.338 20 0 EEADMM CCCC(CCC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372247409 1375882596 /nfs/dbraw/zinc/88/25/96/1375882596.db2.gz KMZFMPNKRQGRLI-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1sccc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001372377406 1375970644 /nfs/dbraw/zinc/97/06/44/1375970644.db2.gz FWVGNPMPBHXHSJ-ZDUSSCGKSA-N -1 1 345.424 2.096 20 0 EEADMM Cc1ccc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])CC(C)C)o1 ZINC001375803477 1378018434 /nfs/dbraw/zinc/01/84/34/1378018434.db2.gz MOPZWIGZFYASEH-ZDUSSCGKSA-N -1 1 345.399 2.263 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001378316190 1379858997 /nfs/dbraw/zinc/85/89/97/1379858997.db2.gz JGQAUEXTYIXYFA-KGLIPLIRSA-N -1 1 333.432 2.190 20 0 EEADMM CC1(C(=O)NC[C@H]2CCN2C(=O)c2ncccc2[O-])CCCCCC1 ZINC001378399615 1379916741 /nfs/dbraw/zinc/91/67/41/1379916741.db2.gz RZVFMKVFGSXWAM-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001390468684 1388645501 /nfs/dbraw/zinc/64/55/01/1388645501.db2.gz PIEQMVBQSGAIDZ-DGCLKSJQSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)CC1CCC1)NC(=O)c1ncccc1[O-] ZINC001383231920 1382406996 /nfs/dbraw/zinc/40/69/96/1382406996.db2.gz QNSYLQNHFUNILM-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)[C@@H](C)C(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001383377041 1382466432 /nfs/dbraw/zinc/46/64/32/1382466432.db2.gz SGNBQLIWJMPJOA-KGLIPLIRSA-N -1 1 347.459 2.436 20 0 EEADMM CCc1ccsc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001383723395 1382688458 /nfs/dbraw/zinc/68/84/58/1382688458.db2.gz AEFMKJFQPJPAHH-LLVKDONJSA-N -1 1 347.440 2.302 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001384525050 1384446144 /nfs/dbraw/zinc/44/61/44/1384446144.db2.gz OBOOKDBUGQZJCP-QWHCGFSZSA-N -1 1 333.432 2.381 20 0 EEADMM CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387560803 1386842016 /nfs/dbraw/zinc/84/20/16/1386842016.db2.gz VDBBJGVALHZXPO-AWEZNQCLSA-N -1 1 333.432 2.431 20 0 EEADMM CCCC1(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001391241648 1389160680 /nfs/dbraw/zinc/16/06/80/1389160680.db2.gz HVKCEPALSKMIEL-ZDUSSCGKSA-N -1 1 333.432 2.240 20 0 EEADMM CC[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-])C(C)C ZINC001393302400 1390401333 /nfs/dbraw/zinc/40/13/33/1390401333.db2.gz GMZQQYFMFRLBFI-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CC(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1)C1CCCCC1 ZINC001393559228 1390471875 /nfs/dbraw/zinc/47/18/75/1390471875.db2.gz ACSRYXSQPWACKI-ZDUSSCGKSA-N -1 1 349.479 2.245 20 0 EEADMM CC(C)(CC(=O)N[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001394268501 1390665464 /nfs/dbraw/zinc/66/54/64/1390665464.db2.gz ZQYJOOXVUBJHQZ-IBGZPJMESA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(C(=O)NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C1CCC1 ZINC001399257110 1394890028 /nfs/dbraw/zinc/89/00/28/1394890028.db2.gz AYRQCUWUUOCYCI-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ncccc1[O-] ZINC001399465068 1395124268 /nfs/dbraw/zinc/12/42/68/1395124268.db2.gz GDBYMZJLFVBIDN-SOUVJXGZSA-N -1 1 345.443 2.094 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001426264992 1402006306 /nfs/dbraw/zinc/00/63/06/1402006306.db2.gz LONIVJNTIDOENO-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CCC[C@H](CC)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001426271746 1402010942 /nfs/dbraw/zinc/01/09/42/1402010942.db2.gz ZSXQPVMNFPEFEE-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001426841641 1402221825 /nfs/dbraw/zinc/22/18/25/1402221825.db2.gz FVGBILXAVIHBJZ-SOUVJXGZSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1ccccc1[C@@H](C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001429304501 1402943018 /nfs/dbraw/zinc/94/30/18/1402943018.db2.gz UODSNNGMHMNSLT-CQSZACIVSA-N -1 1 341.411 2.088 20 0 EEADMM CC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001431937836 1403162132 /nfs/dbraw/zinc/16/21/32/1403162132.db2.gz OSVMXVYVWBLITJ-CHWSQXEVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc([O-])cn1 ZINC001433878449 1403441781 /nfs/dbraw/zinc/44/17/81/1403441781.db2.gz YZPBLBAZLYBLHF-CYBMUJFWSA-N -1 1 326.274 2.269 20 0 EEADMM CC(C)CNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001574219136 1403519599 /nfs/dbraw/zinc/51/95/99/1403519599.db2.gz NATCSNLHYBCSIF-UHFFFAOYSA-N -1 1 337.430 2.016 20 0 EEADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576617753 1403592008 /nfs/dbraw/zinc/59/20/08/1403592008.db2.gz QWKHAYPYXAMCBD-ZWNOBZJWSA-N -1 1 344.419 2.317 20 0 EEADMM CCCCC(=O)N1C[C@@H](C)[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577399161 1403646124 /nfs/dbraw/zinc/64/61/24/1403646124.db2.gz JWNBAIBCKCOBIF-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM COc1ncc(NC(=O)c2ccsc2Cl)cc1-c1nn[n-]n1 ZINC001580139497 1403832749 /nfs/dbraw/zinc/83/27/49/1403832749.db2.gz AMHZFWDUMOFLGT-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM CSc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001580235527 1403851344 /nfs/dbraw/zinc/85/13/44/1403851344.db2.gz UFEKPYLTWPITKP-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM CSc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001580235527 1403851350 /nfs/dbraw/zinc/85/13/50/1403851350.db2.gz UFEKPYLTWPITKP-UHFFFAOYSA-N -1 1 326.385 2.165 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cscc1Cl ZINC001580608734 1403863246 /nfs/dbraw/zinc/86/32/46/1403863246.db2.gz IQJGQFBVMXXQKD-UHFFFAOYSA-N -1 1 336.764 2.243 20 0 EEADMM CCOC(=O)C1=CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001590759140 1403899645 /nfs/dbraw/zinc/89/96/45/1403899645.db2.gz VSTANEPEADKNCE-ZETCQYMHSA-N -1 1 340.796 2.040 20 0 EEADMM CCOC(=O)C1=CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590759140 1403899647 /nfs/dbraw/zinc/89/96/47/1403899647.db2.gz VSTANEPEADKNCE-ZETCQYMHSA-N -1 1 340.796 2.040 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591334709 1403905958 /nfs/dbraw/zinc/90/59/58/1403905958.db2.gz AQZOKUDSBUAFNN-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591334709 1403905961 /nfs/dbraw/zinc/90/59/61/1403905961.db2.gz AQZOKUDSBUAFNN-XPTSAGLGSA-N -1 1 345.334 2.105 20 0 EEADMM COc1cccc([C@@H](C)C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001591638463 1403933483 /nfs/dbraw/zinc/93/34/83/1403933483.db2.gz PWJOIIBLJNBWSK-MRVPVSSYSA-N -1 1 344.400 2.382 20 0 EEADMM COc1cccc([C@@H](C)C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591638463 1403933503 /nfs/dbraw/zinc/93/35/03/1403933503.db2.gz PWJOIIBLJNBWSK-MRVPVSSYSA-N -1 1 344.400 2.382 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591683789 1403938245 /nfs/dbraw/zinc/93/82/45/1403938245.db2.gz ZOLWAYCBQWQZJW-JBBQLFNJSA-N -1 1 346.869 2.078 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591683789 1403938250 /nfs/dbraw/zinc/93/82/50/1403938250.db2.gz ZOLWAYCBQWQZJW-JBBQLFNJSA-N -1 1 346.869 2.078 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](C(F)(F)F)C1 ZINC001591734594 1403942723 /nfs/dbraw/zinc/94/27/23/1403942723.db2.gz ISEHFKUHTUUPHL-KCJUWKMLSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](C(F)(F)F)C1 ZINC001591734594 1403942725 /nfs/dbraw/zinc/94/27/25/1403942725.db2.gz ISEHFKUHTUUPHL-KCJUWKMLSA-N -1 1 340.309 2.065 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001592140284 1404005154 /nfs/dbraw/zinc/00/51/54/1404005154.db2.gz NFMTZZXYTZUKAL-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001592499301 1404703121 /nfs/dbraw/zinc/70/31/21/1404703121.db2.gz KKPJJVRIERXWOU-QWHCGFSZSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001592499301 1404703126 /nfs/dbraw/zinc/70/31/26/1404703126.db2.gz KKPJJVRIERXWOU-QWHCGFSZSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCc2cccc(O)c21 ZINC001592500748 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C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=S)NCCCC(=O)[O-] ZINC000736815664 578225340 /nfs/dbraw/zinc/22/53/40/578225340.db2.gz VHPKZMJZCYCHEX-HNNXBMFYSA-N -1 1 349.500 2.322 20 0 EEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736825923 578225833 /nfs/dbraw/zinc/22/58/33/578225833.db2.gz OYCCRZSQVFYSOK-WMLDXEAASA-N -1 1 330.428 2.403 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736878499 578227982 /nfs/dbraw/zinc/22/79/82/578227982.db2.gz MACSMPLUGWCKNF-QILLFSRXSA-N -1 1 332.444 2.167 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C)C(=O)[O-] ZINC000736878541 578228164 /nfs/dbraw/zinc/22/81/64/578228164.db2.gz MDSGGXFFGAXGNF-KPEUIFRASA-N -1 1 332.444 2.480 20 0 EEADMM COc1c(Cl)cccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737026413 578233708 /nfs/dbraw/zinc/23/37/08/578233708.db2.gz SBYZCPDTCPTJFW-UHFFFAOYSA-N -1 1 336.783 2.273 20 0 EEADMM CCCc1c(C(=O)NCCCc2cn[nH]c2C)[nH]c(C)c1C(=O)[O-] ZINC000737039397 578234396 /nfs/dbraw/zinc/23/43/96/578234396.db2.gz BDBMMHAUWVZANB-UHFFFAOYSA-N -1 1 332.404 2.368 20 0 EEADMM COc1ccccc1C(C)=CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737140427 578240364 /nfs/dbraw/zinc/24/03/64/578240364.db2.gz CXBWPDRSILYQLA-VAWYXSNFSA-N -1 1 327.388 2.018 20 0 EEADMM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737206931 578243546 /nfs/dbraw/zinc/24/35/46/578243546.db2.gz NBDIEPKIPNDIQR-NSHDSACASA-N -1 1 347.762 2.121 20 0 EEADMM Cc1cc(C)c(C)c(OCCC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000737247042 578245790 /nfs/dbraw/zinc/24/57/90/578245790.db2.gz SCTQLLCXRKXNFW-UHFFFAOYSA-N -1 1 343.431 2.300 20 0 EEADMM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737247657 578246294 /nfs/dbraw/zinc/24/62/94/578246294.db2.gz YYGXHFAGXCIMOY-UHFFFAOYSA-N -1 1 337.387 2.238 20 0 EEADMM Cc1cc(C)c(NC(=O)CNc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737247657 578246295 /nfs/dbraw/zinc/24/62/95/578246295.db2.gz YYGXHFAGXCIMOY-UHFFFAOYSA-N -1 1 337.387 2.238 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c2c1 ZINC000737371481 578253551 /nfs/dbraw/zinc/25/35/51/578253551.db2.gz DJLZIDJXWKNTOF-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1ccc2c(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c2c1 ZINC000737371481 578253552 /nfs/dbraw/zinc/25/35/52/578253552.db2.gz DJLZIDJXWKNTOF-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC1(C)C ZINC000737546218 578263377 /nfs/dbraw/zinc/26/33/77/578263377.db2.gz ASYCPINHLOHYCT-NSHDSACASA-N -1 1 340.387 2.335 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC1(C)C ZINC000737546218 578263378 /nfs/dbraw/zinc/26/33/78/578263378.db2.gz ASYCPINHLOHYCT-NSHDSACASA-N -1 1 340.387 2.335 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000737548917 578263522 /nfs/dbraw/zinc/26/35/22/578263522.db2.gz QOLFLDBOIGKDMQ-CMPLNLGQSA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@@H]1C ZINC000737548917 578263523 /nfs/dbraw/zinc/26/35/23/578263523.db2.gz QOLFLDBOIGKDMQ-CMPLNLGQSA-N -1 1 340.387 2.477 20 0 EEADMM ClC1(Cl)C[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737560650 578264114 /nfs/dbraw/zinc/26/41/14/578264114.db2.gz BEUQUOIKCCJETF-ZETCQYMHSA-N -1 1 336.186 2.416 20 0 EEADMM ClC1(Cl)C[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737560650 578264115 /nfs/dbraw/zinc/26/41/15/578264115.db2.gz BEUQUOIKCCJETF-ZETCQYMHSA-N -1 1 336.186 2.416 20 0 EEADMM O[C@@H](CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823674052 599086663 /nfs/dbraw/zinc/08/66/63/599086663.db2.gz PKVTZVHEDHVCNS-LBPRGKRZSA-N -1 1 330.779 2.451 20 0 EEADMM O[C@@H](CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823674052 599086666 /nfs/dbraw/zinc/08/66/66/599086666.db2.gz PKVTZVHEDHVCNS-LBPRGKRZSA-N -1 1 330.779 2.451 20 0 EEADMM CC(=O)Nc1ccc(OC(=O)c2sccc2-c2nn[n-]n2)c(F)c1 ZINC000819818987 599198932 /nfs/dbraw/zinc/19/89/32/599198932.db2.gz YGTSOYVFLBPABR-UHFFFAOYSA-N -1 1 347.331 2.245 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821449387 599212685 /nfs/dbraw/zinc/21/26/85/599212685.db2.gz SSQABXDCAVFZCK-NWDGAFQWSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821449387 599212688 /nfs/dbraw/zinc/21/26/88/599212688.db2.gz SSQABXDCAVFZCK-NWDGAFQWSA-N -1 1 332.433 2.008 20 0 EEADMM c1ccc(CCCOC2CN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000823779505 607328922 /nfs/dbraw/zinc/32/89/22/607328922.db2.gz FFKJBFHDSABTEP-UHFFFAOYSA-N -1 1 336.399 2.100 20 0 EEADMM c1ccc(CCCOC2CN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000823779505 607328923 /nfs/dbraw/zinc/32/89/23/607328923.db2.gz FFKJBFHDSABTEP-UHFFFAOYSA-N -1 1 336.399 2.100 20 0 EEADMM CCCOc1cccc(CCNc2nccnc2-c2nnn[n-]2)c1 ZINC000821139079 607329942 /nfs/dbraw/zinc/32/99/42/607329942.db2.gz NFYRVALTRZBHPN-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM CCCOc1cccc(CCNc2nccnc2-c2nn[n-]n2)c1 ZINC000821139079 607329943 /nfs/dbraw/zinc/32/99/43/607329943.db2.gz NFYRVALTRZBHPN-UHFFFAOYSA-N -1 1 325.376 2.100 20 0 EEADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC3(C2)CCOCC3)c(C)c1C(=O)[O-] ZINC000832843573 601052087 /nfs/dbraw/zinc/05/20/87/601052087.db2.gz XXHANHXCAJKYOL-CYBMUJFWSA-N -1 1 334.416 2.403 20 0 EEADMM COc1cc(C)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831966817 601130779 /nfs/dbraw/zinc/13/07/79/601130779.db2.gz GPRKCSIVRZPRDU-ZDUSSCGKSA-N -1 1 335.404 2.016 20 0 EEADMM CO[C@H](C)c1cccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000831493294 601131817 /nfs/dbraw/zinc/13/18/17/601131817.db2.gz KPPHFPVANINCPZ-UONOGXRCSA-N -1 1 349.431 2.407 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC000828718652 601157436 /nfs/dbraw/zinc/15/74/36/601157436.db2.gz NHFATJSTOKGEAB-UKRRQHHQSA-N -1 1 342.505 2.354 20 0 EEADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000828413504 601178743 /nfs/dbraw/zinc/17/87/43/601178743.db2.gz SRPJZHGEFQAZGX-KEYYUXOJSA-N -1 1 330.428 2.391 20 0 EEADMM Cc1ccc(F)c(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832935945 601338236 /nfs/dbraw/zinc/33/82/36/601338236.db2.gz RIRODMJHUIBUBX-GFCCVEGCSA-N -1 1 339.436 2.312 20 0 EEADMM CCC1CCC(NCC(=O)N(C)c2nccs2)(C(=O)[O-])CC1 ZINC000829101291 601496850 /nfs/dbraw/zinc/49/68/50/601496850.db2.gz NBNIZCYGKCDLOG-UHFFFAOYSA-N -1 1 325.434 2.119 20 0 EEADMM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000833249528 602019788 /nfs/dbraw/zinc/01/97/88/602019788.db2.gz VJXXTTADJQUCQY-NSHDSACASA-N -1 1 349.337 2.221 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000833331354 604370507 /nfs/dbraw/zinc/37/05/07/604370507.db2.gz DBZAXMHDBZVGMG-AWEZNQCLSA-N -1 1 347.333 2.399 20 0 EEADMM CCCCCOC1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000825276034 608188523 /nfs/dbraw/zinc/18/85/23/608188523.db2.gz NIBKCXBXFPJLLP-UHFFFAOYSA-N -1 1 328.829 2.372 20 0 EEADMM CCCCCOC1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000825276034 608188526 /nfs/dbraw/zinc/18/85/26/608188526.db2.gz NIBKCXBXFPJLLP-UHFFFAOYSA-N -1 1 328.829 2.372 20 0 EEADMM C[C@H]1CN(Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1C(=O)[O-] ZINC000833629888 604665990 /nfs/dbraw/zinc/66/59/90/604665990.db2.gz NXEIJJRZKWEYOP-WCBMZHEXSA-N -1 1 329.299 2.169 20 0 EEADMM CCC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833636704 604690104 /nfs/dbraw/zinc/69/01/04/604690104.db2.gz ZTKPCPHYFCSPKF-UHFFFAOYSA-N -1 1 334.353 2.173 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000833439302 604864667 /nfs/dbraw/zinc/86/46/67/604864667.db2.gz QKHGQHFNQICKEC-ZIAGYGMSSA-N -1 1 335.404 2.196 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000326993744 604949324 /nfs/dbraw/zinc/94/93/24/604949324.db2.gz UVJJSXVMOAGORQ-GFCCVEGCSA-N -1 1 349.387 2.356 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000326993746 604949983 /nfs/dbraw/zinc/94/99/83/604949983.db2.gz UVJJSXVMOAGORQ-LBPRGKRZSA-N -1 1 349.387 2.356 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000833771118 604975983 /nfs/dbraw/zinc/97/59/83/604975983.db2.gz VWEYJNJVZVJUNB-INIZCTEOSA-N -1 1 334.347 2.138 20 0 EEADMM CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000833512530 605018573 /nfs/dbraw/zinc/01/85/73/605018573.db2.gz OXVHIHCLBCUQKW-SNVBAGLBSA-N -1 1 347.375 2.274 20 0 EEADMM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833515350 605117265 /nfs/dbraw/zinc/11/72/65/605117265.db2.gz QLGCXUZTOBLDIB-CJNGLKHVSA-N -1 1 329.400 2.181 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000833508913 605175435 /nfs/dbraw/zinc/17/54/35/605175435.db2.gz OTOASQJYEHEVJM-ZOBUZTSGSA-N -1 1 347.459 2.400 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@H](c2ccc(C)cc2)C1)C(=O)[O-] ZINC000833638967 605422457 /nfs/dbraw/zinc/42/24/57/605422457.db2.gz LVHGNGQYQJBBEX-ZVZYQTTQSA-N -1 1 332.444 2.400 20 0 EEADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCC(=O)[O-] ZINC000833660544 605782621 /nfs/dbraw/zinc/78/26/21/605782621.db2.gz NNHJEJWHQVIQJG-UHFFFAOYSA-N -1 1 349.431 2.031 20 0 EEADMM COC(=O)c1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821669127 606137857 /nfs/dbraw/zinc/13/78/57/606137857.db2.gz YYARONZERIGFBA-SSDOTTSWSA-N -1 1 348.340 2.226 20 0 EEADMM COC(=O)c1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821669127 606137858 /nfs/dbraw/zinc/13/78/58/606137858.db2.gz YYARONZERIGFBA-SSDOTTSWSA-N -1 1 348.340 2.226 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820861906 606155192 /nfs/dbraw/zinc/15/51/92/606155192.db2.gz OKRXVNOXJQIQBX-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820861906 606155193 /nfs/dbraw/zinc/15/51/93/606155193.db2.gz OKRXVNOXJQIQBX-PWSUYJOCSA-N -1 1 332.412 2.033 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc3ccccc3c2)n1 ZINC000822620435 606162197 /nfs/dbraw/zinc/16/21/97/606162197.db2.gz QDYJRTMSKDWRCQ-UHFFFAOYSA-N -1 1 348.370 2.075 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc3ccccc3c2)n1 ZINC000822620435 606162198 /nfs/dbraw/zinc/16/21/98/606162198.db2.gz QDYJRTMSKDWRCQ-UHFFFAOYSA-N -1 1 348.370 2.075 20 0 EEADMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821109255 606393711 /nfs/dbraw/zinc/39/37/11/606393711.db2.gz DVEDRFVCSDVRMR-AWEZNQCLSA-N -1 1 346.460 2.472 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821679084 606443800 /nfs/dbraw/zinc/44/38/00/606443800.db2.gz WYJWCHYLEYLUGZ-IAQYHMDHSA-N -1 1 335.433 2.204 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821679084 606443801 /nfs/dbraw/zinc/44/38/01/606443801.db2.gz WYJWCHYLEYLUGZ-IAQYHMDHSA-N -1 1 335.433 2.204 20 0 EEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820460715 606448636 /nfs/dbraw/zinc/44/86/36/606448636.db2.gz AHCASENNLODERU-ZCFIWIBFSA-N -1 1 347.795 2.192 20 0 EEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820460715 606448639 /nfs/dbraw/zinc/44/86/39/606448639.db2.gz AHCASENNLODERU-ZCFIWIBFSA-N -1 1 347.795 2.192 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1F ZINC000823689364 606451453 /nfs/dbraw/zinc/45/14/53/606451453.db2.gz FPRPLFIMCPMLCG-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1F ZINC000823689364 606451455 /nfs/dbraw/zinc/45/14/55/606451455.db2.gz FPRPLFIMCPMLCG-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM Cc1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822263585 606492506 /nfs/dbraw/zinc/49/25/06/606492506.db2.gz UTBWHZROPKZHRI-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822263585 606492508 /nfs/dbraw/zinc/49/25/08/606492508.db2.gz UTBWHZROPKZHRI-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823154517 606496107 /nfs/dbraw/zinc/49/61/07/606496107.db2.gz DUZWGSMSHZQXJL-SNVBAGLBSA-N -1 1 327.369 2.182 20 0 EEADMM O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823154517 606496109 /nfs/dbraw/zinc/49/61/09/606496109.db2.gz DUZWGSMSHZQXJL-SNVBAGLBSA-N -1 1 327.369 2.182 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820635241 606572206 /nfs/dbraw/zinc/57/22/06/606572206.db2.gz KXLIHRFPJSJDDT-CJNGLKHVSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820635241 606572207 /nfs/dbraw/zinc/57/22/07/606572207.db2.gz KXLIHRFPJSJDDT-CJNGLKHVSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000820380274 606596808 /nfs/dbraw/zinc/59/68/08/606596808.db2.gz OWPLQCLXACEGPB-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000820380274 606596809 /nfs/dbraw/zinc/59/68/09/606596809.db2.gz OWPLQCLXACEGPB-MRVPVSSYSA-N -1 1 346.782 2.136 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2c(F)ccc(F)c21 ZINC000823478282 606746225 /nfs/dbraw/zinc/74/62/25/606746225.db2.gz IJEZLKKNMACNPF-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2c(F)ccc(F)c21 ZINC000823478282 606746227 /nfs/dbraw/zinc/74/62/27/606746227.db2.gz IJEZLKKNMACNPF-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM C[C@@H](O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824705517 607849110 /nfs/dbraw/zinc/84/91/10/607849110.db2.gz CGPQDYXKOKEZIQ-LLVKDONJSA-N -1 1 344.806 2.303 20 0 EEADMM C[C@@H](O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824705517 607849111 /nfs/dbraw/zinc/84/91/11/607849111.db2.gz CGPQDYXKOKEZIQ-LLVKDONJSA-N -1 1 344.806 2.303 20 0 EEADMM Fc1cccc(OCc2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826377922 607865278 /nfs/dbraw/zinc/86/52/78/607865278.db2.gz MIUDPNXHNFFIFD-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1cccc(OCc2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826377922 607865279 /nfs/dbraw/zinc/86/52/79/607865279.db2.gz MIUDPNXHNFFIFD-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)COc2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC000824925800 607865960 /nfs/dbraw/zinc/86/59/60/607865960.db2.gz HEWMRWMZDVDCOM-NTZNESFSSA-N -1 1 347.394 2.326 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)COc2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC000824925800 607865961 /nfs/dbraw/zinc/86/59/61/607865961.db2.gz HEWMRWMZDVDCOM-NTZNESFSSA-N -1 1 347.394 2.326 20 0 EEADMM CCO[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000825577740 607997327 /nfs/dbraw/zinc/99/73/27/607997327.db2.gz ZKPWUONHCMWFLI-OAHLLOKOSA-N -1 1 339.355 2.289 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCc1noc(C2CC2)n1 ZINC000826523602 608147870 /nfs/dbraw/zinc/14/78/70/608147870.db2.gz RLYZAFZHQJVIIG-UHFFFAOYSA-N -1 1 334.343 2.287 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCc1noc(C2CC2)n1 ZINC000826523602 608147872 /nfs/dbraw/zinc/14/78/72/608147872.db2.gz RLYZAFZHQJVIIG-UHFFFAOYSA-N -1 1 334.343 2.287 20 0 EEADMM CCOC(=O)C[C@@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825508531 608183809 /nfs/dbraw/zinc/18/38/09/608183809.db2.gz ZLUBZKKQTGPAAS-RXMQYKEDSA-N -1 1 333.826 2.410 20 0 EEADMM CCOC(=O)C[C@@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825508531 608183811 /nfs/dbraw/zinc/18/38/11/608183811.db2.gz ZLUBZKKQTGPAAS-RXMQYKEDSA-N -1 1 333.826 2.410 20 0 EEADMM COCC1(C)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826152526 608297746 /nfs/dbraw/zinc/29/77/46/608297746.db2.gz CKRQBICNGLGZDV-UHFFFAOYSA-N -1 1 339.403 2.063 20 0 EEADMM COCC1(C)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826152526 608297748 /nfs/dbraw/zinc/29/77/48/608297748.db2.gz CKRQBICNGLGZDV-UHFFFAOYSA-N -1 1 339.403 2.063 20 0 EEADMM Fc1cccc(-n2ccc(NCc3ccco3)n2)c1-c1nn[n-]n1 ZINC000826376528 609320729 /nfs/dbraw/zinc/32/07/29/609320729.db2.gz HXDVYAQZZYNBIA-UHFFFAOYSA-N -1 1 325.307 2.397 20 0 EEADMM Clc1nsc(N2CCC([C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826353798 609591638 /nfs/dbraw/zinc/59/16/38/609591638.db2.gz DNUCBIIUSYYRRE-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCC([C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826353798 609591639 /nfs/dbraw/zinc/59/16/39/609591639.db2.gz DNUCBIIUSYYRRE-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC000969500596 675075530 /nfs/dbraw/zinc/07/55/30/675075530.db2.gz RZNLEEGXSIYCSY-CMPLNLGQSA-N -1 1 346.406 2.374 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccc(Cl)nc2)C1 ZINC000969546681 675095669 /nfs/dbraw/zinc/09/56/69/675095669.db2.gz PFUGFRGOAPCSCZ-LLVKDONJSA-N -1 1 346.818 2.086 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2ncccc2[O-])C1 ZINC000891018947 675956920 /nfs/dbraw/zinc/95/69/20/675956920.db2.gz BFVIHPWCHHMIMR-SFHVURJKSA-N -1 1 347.415 2.403 20 0 EEADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cnn(CC2CCC2)c1 ZINC000890671241 675294081 /nfs/dbraw/zinc/29/40/81/675294081.db2.gz WFANBRRSLBDMQB-GFCCVEGCSA-N -1 1 327.384 2.449 20 0 EEADMM C[C@@H]1CN(C(=O)CCC2CC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020712876 675436296 /nfs/dbraw/zinc/43/62/96/675436296.db2.gz APOPVCIOFMUQHF-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C)[C@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1 ZINC000079587559 675439626 /nfs/dbraw/zinc/43/96/26/675439626.db2.gz DTKCDXXIVFSDAQ-WCQYABFASA-N -1 1 337.420 2.376 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3sc(N)nc3[O-])C2)cc1 ZINC000079835475 675447100 /nfs/dbraw/zinc/44/71/00/675447100.db2.gz ZDVXOUOUPHQJQV-LSDHHAIUSA-N -1 1 345.468 2.123 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1CNC(=O)C1=CCCC1 ZINC001020734908 675460444 /nfs/dbraw/zinc/46/04/44/675460444.db2.gz FEXJWRKCSISZAZ-ZFWWWQNUSA-N -1 1 343.427 2.112 20 0 EEADMM N#CCc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000089485014 675547302 /nfs/dbraw/zinc/54/73/02/675547302.db2.gz DDRREJDGJQLQOV-UHFFFAOYSA-N -1 1 329.743 2.186 20 0 EEADMM O=C(N[C@]12CC(=O)N[C@H]1CCCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000891283127 676300126 /nfs/dbraw/zinc/30/01/26/676300126.db2.gz KHQHOJNOYASLCD-SWLSCSKDSA-N -1 1 342.317 2.342 20 0 EEADMM COCc1nc(N(C)CC(=O)Nc2ccccc2SC)cc(=O)[n-]1 ZINC000891687589 676774484 /nfs/dbraw/zinc/77/44/84/676774484.db2.gz YIDRWPLHBTYKCT-UHFFFAOYSA-N -1 1 348.428 2.125 20 0 EEADMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866864573 677933173 /nfs/dbraw/zinc/93/31/73/677933173.db2.gz QQLYIZGCWDYASB-UHFFFAOYSA-N -1 1 341.260 2.465 20 0 EEADMM Cc1nc(CN2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)cs1 ZINC001023328866 679255795 /nfs/dbraw/zinc/25/57/95/679255795.db2.gz VEGGJMKSPZPQHD-ZDUSSCGKSA-N -1 1 346.456 2.194 20 0 EEADMM O=C(C[C@H]1C=CCCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982912584 681499824 /nfs/dbraw/zinc/49/98/24/681499824.db2.gz JLZQCAXKKCGAPI-LSDHHAIUSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccccc1)c1ncccc1[O-] ZINC000937185559 681567607 /nfs/dbraw/zinc/56/76/07/681567607.db2.gz PLJYPFLUEKVHPU-HNNXBMFYSA-N -1 1 339.395 2.212 20 0 EEADMM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1nnc2ccccc2c1O ZINC000177903916 681583628 /nfs/dbraw/zinc/58/36/28/681583628.db2.gz FEYPKKWVZBJIRU-PXAZEXFGSA-N -1 1 329.400 2.104 20 0 EEADMM CN(C(=O)C1CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212303 681687461 /nfs/dbraw/zinc/68/74/61/681687461.db2.gz UIOUEVUUKKTEDF-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000937220398 681725882 /nfs/dbraw/zinc/72/58/82/681725882.db2.gz POHQEZZRYBNDNN-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000983475000 682714237 /nfs/dbraw/zinc/71/42/37/682714237.db2.gz IDFCJIZDSONRCK-RYUDHWBXSA-N -1 1 345.424 2.320 20 0 EEADMM CCN(C[C@@H]1CCN(c2cc(=O)[n-]c(COC)n2)C1)CC(F)(F)F ZINC000892790483 683063594 /nfs/dbraw/zinc/06/35/94/683063594.db2.gz CQXHVGOJLDZSSJ-NSHDSACASA-N -1 1 348.369 2.039 20 0 EEADMM C/C=C(\C)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC000983709547 683151188 /nfs/dbraw/zinc/15/11/88/683151188.db2.gz SXTKRHSSJZIKKE-GLLGWGDWSA-N -1 1 331.416 2.110 20 0 EEADMM Cc1cccc2c(N[C@H]3C[C@H](NC(=O)c4ncccc4[O-])C3)ncnc12 ZINC001059196850 683179661 /nfs/dbraw/zinc/17/96/61/683179661.db2.gz KIMSXVPOVBZZGO-JOCQHMNTSA-N -1 1 349.394 2.412 20 0 EEADMM N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000328535251 683297106 /nfs/dbraw/zinc/29/71/06/683297106.db2.gz RNEAZRXRYZXMMK-MRXNPFEDSA-N -1 1 337.379 2.052 20 0 EEADMM Cc1cnc(C[N-]S(=O)(=O)c2cc(F)ccc2OC(C)C)o1 ZINC000914213125 683374309 /nfs/dbraw/zinc/37/43/09/683374309.db2.gz VGENHZVAXXXIRY-UHFFFAOYSA-N -1 1 328.365 2.388 20 0 EEADMM O=C(COC(=O)c1cc2cc(F)ccc2[nH]1)[N-]C(=O)c1ccccc1 ZINC000031397556 683426711 /nfs/dbraw/zinc/42/67/11/683426711.db2.gz FOIABYWAOWABNF-UHFFFAOYSA-N -1 1 340.310 2.420 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)Cc3sc(C)cc3C)nc2n1 ZINC000893072328 683684839 /nfs/dbraw/zinc/68/48/39/683684839.db2.gz ISGROTVBEDEXCO-UHFFFAOYSA-N -1 1 345.428 2.230 20 0 EEADMM CCN(CC)C(=O)CN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895522778 684635075 /nfs/dbraw/zinc/63/50/75/684635075.db2.gz VJQQWWOBVBROGV-UHFFFAOYSA-N -1 1 330.384 2.191 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000984513871 684676343 /nfs/dbraw/zinc/67/63/43/684676343.db2.gz CLULZGRAIHBQTM-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](COCC1CCCCC1)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000931130655 684779073 /nfs/dbraw/zinc/77/90/73/684779073.db2.gz YMYBPIWZGVTWHK-CYBMUJFWSA-N -1 1 345.447 2.449 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H](C2OCCO2)C1 ZINC000896076630 684827436 /nfs/dbraw/zinc/82/74/36/684827436.db2.gz WCPNMTBMNZETRQ-CYBMUJFWSA-N -1 1 343.379 2.476 20 0 EEADMM Cc1nc(C)c(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000974493394 684987939 /nfs/dbraw/zinc/98/79/39/684987939.db2.gz WPASMWZJZXARPR-HNNXBMFYSA-N -1 1 344.415 2.032 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@@H]1CC=CCC1 ZINC001059515157 686278207 /nfs/dbraw/zinc/27/82/07/686278207.db2.gz SKKPTWIHIQADMS-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@H](C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001059515987 686282649 /nfs/dbraw/zinc/28/26/49/686282649.db2.gz BWTPUPQSPRIWOG-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516818 686287484 /nfs/dbraw/zinc/28/74/84/686287484.db2.gz VVYRCKRWHBTKOK-UONOGXRCSA-N -1 1 333.432 2.048 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000909580201 686424878 /nfs/dbraw/zinc/42/48/78/686424878.db2.gz XYVNHWRWVGESOS-KRWDZBQOSA-N -1 1 338.407 2.376 20 0 EEADMM CCO[C@@H]1C[C@@](NC(=O)c2ccc(O)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599102 686952188 /nfs/dbraw/zinc/95/21/88/686952188.db2.gz BYEIIWVXQGBBIQ-MLGOLLRUSA-N -1 1 341.791 2.434 20 0 EEADMM CCC[C@H]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985504407 687070304 /nfs/dbraw/zinc/07/03/04/687070304.db2.gz AGVLJESSAWACFN-DZGCQCFKSA-N -1 1 349.479 2.150 20 0 EEADMM CCC[C@H]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985504407 687070306 /nfs/dbraw/zinc/07/03/06/687070306.db2.gz AGVLJESSAWACFN-DZGCQCFKSA-N -1 1 349.479 2.150 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CCOC[C@@H]3CC(=O)[O-])n[nH]2)cc1C ZINC000909616669 687142153 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CC1CC(C(=O)N[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000987003985 689215017 /nfs/dbraw/zinc/21/50/17/689215017.db2.gz QSBOFQRKVHQIBZ-YMAMQOFZSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CC1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866949071 689470553 /nfs/dbraw/zinc/47/05/53/689470553.db2.gz OUHMXRLXTCPILK-UHFFFAOYSA-N -1 1 336.255 2.277 20 0 EEADMM CC1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCCCC1 ZINC000866953606 689547433 /nfs/dbraw/zinc/54/74/33/689547433.db2.gz TVXMCKUWTAGDQL-UHFFFAOYSA-N -1 1 336.255 2.421 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCc2c1cccc2OC ZINC000866957726 689641063 /nfs/dbraw/zinc/64/10/63/689641063.db2.gz NJDTWZXVKXVVEH-CYBMUJFWSA-N -1 1 346.474 2.025 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CC2(CCC2)C1 ZINC000987688093 689932265 /nfs/dbraw/zinc/93/22/65/689932265.db2.gz LTUUIOBHNCQPPN-OCCSQVGLSA-N -1 1 343.427 2.087 20 0 EEADMM CCOc1cccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000904217406 694329665 /nfs/dbraw/zinc/32/96/65/694329665.db2.gz 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ZINC001609442669 1351979044 /nfs/dbraw/zinc/97/90/44/1351979044.db2.gz ZXDHJQCCLQSKOA-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nc2sccn2c1-c1noc(-c2ccc(-c3nn[n-]n3)o2)n1 ZINC001609455375 1351984558 /nfs/dbraw/zinc/98/45/58/1351984558.db2.gz RYVXXJMDLDHBJE-UHFFFAOYSA-N -1 1 340.328 2.194 20 0 EEADMM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001609465812 1351988055 /nfs/dbraw/zinc/98/80/55/1351988055.db2.gz RQUYEONIRIAXAT-RXMQYKEDSA-N -1 1 348.392 2.119 20 0 EEADMM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001609465812 1351988057 /nfs/dbraw/zinc/98/80/57/1351988057.db2.gz RQUYEONIRIAXAT-RXMQYKEDSA-N -1 1 348.392 2.119 20 0 EEADMM Fc1cccc(Cl)c1CCn1ccn2ncc(-c3nn[n-]n3)c12 ZINC001609492006 1351997911 /nfs/dbraw/zinc/99/79/11/1351997911.db2.gz XIJITBUSQIZHTN-UHFFFAOYSA-N -1 1 331.742 2.351 20 0 EEADMM Fc1cccc(Cl)c1CC1CN(c2nccnc2-c2nnn[n-]2)C1 ZINC001609491908 1351997930 /nfs/dbraw/zinc/99/79/30/1351997930.db2.gz PLCBYVHEFCOQNZ-UHFFFAOYSA-N -1 1 345.769 2.128 20 0 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ZINC001609617963 1352042417 /nfs/dbraw/zinc/04/24/17/1352042417.db2.gz XVSJHZVZJCYPRW-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM c1ccc(SC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001609617963 1352042423 /nfs/dbraw/zinc/04/24/23/1352042423.db2.gz XVSJHZVZJCYPRW-GFCCVEGCSA-N -1 1 339.428 2.275 20 0 EEADMM C[C@H](C(=O)Nc1nccs1)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001609637642 1352047252 /nfs/dbraw/zinc/04/72/52/1352047252.db2.gz FDGUCPIVBQXTBJ-PXAZEXFGSA-N -1 1 345.424 2.198 20 0 EEADMM O=C(c1ccc(F)c2cccnc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001338995050 1336942242 /nfs/dbraw/zinc/94/22/42/1336942242.db2.gz DWVWPKNGFAYLAI-SNVBAGLBSA-N -1 1 342.330 2.482 20 0 EEADMM CCO[C@H]1C[C@](NCc2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC001610030394 1352145299 /nfs/dbraw/zinc/14/52/99/1352145299.db2.gz KDDWKVYWOORUFB-ZBEGNZNMSA-N -1 1 341.429 2.283 20 0 EEADMM CN(CCN(C)C(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])n(C)c1 ZINC001610119621 1352166646 /nfs/dbraw/zinc/16/66/46/1352166646.db2.gz RAOWLKLQOMXIPZ-UHFFFAOYSA-N -1 1 325.409 2.022 20 0 EEADMM CCn1c(C(C)C)nnc1N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848466615 1338703504 /nfs/dbraw/zinc/70/35/04/1338703504.db2.gz RKDPPYQKXXWLOV-GHMZBOCLSA-N -1 1 347.385 2.457 20 0 EEADMM Cc1cc(CN2C[C@H](C(=O)[O-])C[C@H](O)C2)ccc1Br ZINC001610461637 1352226917 /nfs/dbraw/zinc/22/69/17/1352226917.db2.gz MJQBEWCOCPUJJL-NEPJUHHUSA-N -1 1 328.206 2.025 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC001610488707 1352231503 /nfs/dbraw/zinc/23/15/03/1352231503.db2.gz RSNYRISQWHDART-HZPDHXFCSA-N -1 1 332.400 2.275 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2ccoc2CC(=O)[O-])N2CCCC2)o1 ZINC001610492831 1352232239 /nfs/dbraw/zinc/23/22/39/1352232239.db2.gz FVLHPKBZWASJID-AWEZNQCLSA-N -1 1 346.383 2.375 20 0 EEADMM C[C@@H](CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001428471498 1339528299 /nfs/dbraw/zinc/52/82/99/1339528299.db2.gz FZVDKGHLGDUYLD-GRTSSRMGSA-N -1 1 345.443 2.381 20 0 EEADMM O=C([O-])c1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)[nH]1 ZINC001610819746 1352280233 /nfs/dbraw/zinc/28/02/33/1352280233.db2.gz AWJDMDRLBWEMGS-UHFFFAOYSA-N -1 1 336.311 2.139 20 0 EEADMM O=C([O-])C1(CN2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CC1 ZINC001610881550 1352290001 /nfs/dbraw/zinc/29/00/01/1352290001.db2.gz ROGVVNSDFRFEBE-UHFFFAOYSA-N -1 1 340.782 2.102 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)CCC(F)(F)F ZINC001429802065 1340022551 /nfs/dbraw/zinc/02/25/51/1340022551.db2.gz ARMKHLFJJLFYTF-UHFFFAOYSA-N -1 1 347.337 2.098 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001430089754 1340120449 /nfs/dbraw/zinc/12/04/49/1340120449.db2.gz ANJJPGKWXCJDOZ-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001431364482 1340564014 /nfs/dbraw/zinc/56/40/14/1340564014.db2.gz ZOCWEUGQYZBPHL-AWEZNQCLSA-N -1 1 335.448 2.390 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1c[nH]c(C(=O)N2CCCC2)c1 ZINC001433890820 1341713639 /nfs/dbraw/zinc/71/36/39/1341713639.db2.gz MCFGJPWVGDGVKQ-UHFFFAOYSA-N -1 1 329.356 2.217 20 0 EEADMM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001434545206 1341869172 /nfs/dbraw/zinc/86/91/72/1341869172.db2.gz JKNOPXRFKLJLQN-NSHDSACASA-N -1 1 343.836 2.426 20 0 EEADMM Cc1cccc(CCCN2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC001434856573 1341969753 /nfs/dbraw/zinc/96/97/53/1341969753.db2.gz CNSPEDQHOSPRNZ-UHFFFAOYSA-N -1 1 339.439 2.486 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)NN1Cc2ccccc2C1=O ZINC001563130466 1342541762 /nfs/dbraw/zinc/54/17/62/1342541762.db2.gz CZRIBGCVXKIFQV-UHFFFAOYSA-N -1 1 349.350 2.270 20 0 EEADMM C[C@@H](O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1F ZINC001575482749 1343806620 /nfs/dbraw/zinc/80/66/20/1343806620.db2.gz UJQBJDNZDUEHGH-SSDOTTSWSA-N -1 1 333.348 2.373 20 0 EEADMM C[C@@H](O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1F ZINC001575482749 1343806623 /nfs/dbraw/zinc/80/66/23/1343806623.db2.gz UJQBJDNZDUEHGH-SSDOTTSWSA-N -1 1 333.348 2.373 20 0 EEADMM CC1(C)Oc2ccsc2[C@@H](Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1O ZINC001575752776 1343869946 /nfs/dbraw/zinc/86/99/46/1343869946.db2.gz RZSPTEZSJKDNRK-YPMHNXCESA-N -1 1 344.400 2.008 20 0 EEADMM CC1(C)Oc2ccsc2[C@@H](Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1O ZINC001575752776 1343869951 /nfs/dbraw/zinc/86/99/51/1343869951.db2.gz RZSPTEZSJKDNRK-YPMHNXCESA-N -1 1 344.400 2.008 20 0 EEADMM CCC1(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001577102318 1344090350 /nfs/dbraw/zinc/09/03/50/1344090350.db2.gz PNDVIMPPSBQWKS-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@@H](C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577257710 1344115114 /nfs/dbraw/zinc/11/51/14/1344115114.db2.gz FOIYHBLWOZJRMH-KOLCDFICSA-N -1 1 349.464 2.081 20 0 EEADMM CN(Cc1ccccc1Br)c1cncc(-c2nnn[n-]2)n1 ZINC001579262770 1344361107 /nfs/dbraw/zinc/36/11/07/1344361107.db2.gz KNYQVNPKYNAHNW-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccccc1Br)c1cncc(-c2nn[n-]n2)n1 ZINC001579262770 1344361111 /nfs/dbraw/zinc/36/11/11/1344361111.db2.gz KNYQVNPKYNAHNW-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM Cc1cc(CN)oc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001579595977 1344398357 /nfs/dbraw/zinc/39/83/57/1344398357.db2.gz OGADFFTZIVYVKT-UHFFFAOYSA-N -1 1 332.385 2.029 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579917714 1344431671 /nfs/dbraw/zinc/43/16/71/1344431671.db2.gz FXQZTTHVMHWJOT-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1O ZINC001579996103 1344446083 /nfs/dbraw/zinc/44/60/83/1344446083.db2.gz OWMKFECHUGMSTG-UHFFFAOYSA-N -1 1 346.778 2.284 20 0 EEADMM COc1ccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1O ZINC001579996103 1344446089 /nfs/dbraw/zinc/44/60/89/1344446089.db2.gz OWMKFECHUGMSTG-UHFFFAOYSA-N -1 1 346.778 2.284 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)c(F)c1 ZINC001580014337 1344448127 /nfs/dbraw/zinc/44/81/27/1344448127.db2.gz NFUXGZKJRBWPOZ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)c(F)c1 ZINC001580014337 1344448131 /nfs/dbraw/zinc/44/81/31/1344448131.db2.gz NFUXGZKJRBWPOZ-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580137654 1344480100 /nfs/dbraw/zinc/48/01/00/1344480100.db2.gz ZVXBQMOEIPYZTF-HBNTYKKESA-N -1 1 345.407 2.217 20 0 EEADMM Cc1ccc(-n2ccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001581137980 1344591780 /nfs/dbraw/zinc/59/17/80/1344591780.db2.gz RFOAPAWWILMCSX-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1nc(NCc2ccc(OC(F)F)cc2)cc(-c2nnn[n-]2)n1 ZINC001581526212 1344634386 /nfs/dbraw/zinc/63/43/86/1344634386.db2.gz NEUUROVIPJOBEY-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1nc(NCc2ccc(OC(F)F)cc2)cc(-c2nn[n-]n2)n1 ZINC001581526212 1344634390 /nfs/dbraw/zinc/63/43/90/1344634390.db2.gz NEUUROVIPJOBEY-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1nc2c(nccc2C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)[nH]1 ZINC001586213940 1348847370 /nfs/dbraw/zinc/84/73/70/1348847370.db2.gz DZFXSKOSODPIJN-UHFFFAOYSA-N -1 1 334.339 2.410 20 0 EEADMM O=C([N-]c1nnc([C@H]2CCCO2)s1)c1nnc2ccccc2c1O ZINC001587743785 1348871736 /nfs/dbraw/zinc/87/17/36/1348871736.db2.gz AKOFGUWCPQDKIX-SNVBAGLBSA-N -1 1 343.368 2.291 20 0 EEADMM CC(C)(C)[C@@H]1CCN(C(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001589103776 1348959586 /nfs/dbraw/zinc/95/95/86/1348959586.db2.gz WMQDUCQCROMOST-LBPRGKRZSA-N -1 1 335.433 2.205 20 0 EEADMM CC(C)(C)Oc1cccc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001589202186 1348969829 /nfs/dbraw/zinc/96/98/29/1348969829.db2.gz GZUWJCRXIWNDEN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1cccc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001589202186 1348969832 /nfs/dbraw/zinc/96/98/32/1348969832.db2.gz GZUWJCRXIWNDEN-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)c1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(Cl)n1 ZINC001589214577 1348970625 /nfs/dbraw/zinc/97/06/25/1348970625.db2.gz AYEDSVVSIPVGRX-UHFFFAOYSA-N -1 1 346.782 2.188 20 0 EEADMM CC(C)(C)c1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(Cl)n1 ZINC001589214577 1348970628 /nfs/dbraw/zinc/97/06/28/1348970628.db2.gz AYEDSVVSIPVGRX-UHFFFAOYSA-N -1 1 346.782 2.188 20 0 EEADMM CC(C)(C)c1coc(CNC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001589234885 1348973112 /nfs/dbraw/zinc/97/31/12/1348973112.db2.gz WAVSCALTNUYOKD-UHFFFAOYSA-N -1 1 332.389 2.144 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001589343031 1348985166 /nfs/dbraw/zinc/98/51/66/1348985166.db2.gz ODKLSUJTIKGCMI-UHFFFAOYSA-N -1 1 328.328 2.361 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001589343031 1348985168 /nfs/dbraw/zinc/98/51/68/1348985168.db2.gz ODKLSUJTIKGCMI-UHFFFAOYSA-N -1 1 328.328 2.361 20 0 EEADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001589750388 1349028484 /nfs/dbraw/zinc/02/84/84/1349028484.db2.gz YQQOEGZGANKEGN-PHIMTYICSA-N -1 1 340.387 2.034 20 0 EEADMM CC(C)Oc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001589754288 1349029575 /nfs/dbraw/zinc/02/95/75/1349029575.db2.gz IXNOKJIEZUMASQ-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001589754288 1349029580 /nfs/dbraw/zinc/02/95/80/1349029580.db2.gz IXNOKJIEZUMASQ-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)c1noc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC001589778677 1349039082 /nfs/dbraw/zinc/03/90/82/1349039082.db2.gz AXCDYROXFLZRFY-UHFFFAOYSA-N -1 1 334.771 2.076 20 0 EEADMM CC(C)c1noc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC001589778677 1349039085 /nfs/dbraw/zinc/03/90/85/1349039085.db2.gz AXCDYROXFLZRFY-UHFFFAOYSA-N -1 1 334.771 2.076 20 0 EEADMM C/C(Cl)=C\C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589905220 1349060319 /nfs/dbraw/zinc/06/03/19/1349060319.db2.gz VXLBMEXCZKBPTD-BQYQJAHWSA-N -1 1 347.741 2.273 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H](C)c1ccccc1 ZINC001589926282 1349064240 /nfs/dbraw/zinc/06/42/40/1349064240.db2.gz KHFJQAVJNKPZOY-OLZOCXBDSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H](C)c1ccccc1 ZINC001589926282 1349064247 /nfs/dbraw/zinc/06/42/47/1349064247.db2.gz KHFJQAVJNKPZOY-OLZOCXBDSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(N2CCCC2)c1 ZINC001589980300 1349091120 /nfs/dbraw/zinc/09/11/20/1349091120.db2.gz KVLRXSWHSZVUJR-GFCCVEGCSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(N2CCCC2)c1 ZINC001589980300 1349091128 /nfs/dbraw/zinc/09/11/28/1349091128.db2.gz KVLRXSWHSZVUJR-GFCCVEGCSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1 ZINC001589982178 1349092164 /nfs/dbraw/zinc/09/21/64/1349092164.db2.gz SYCBWZCSYPGVAX-LKFCYVNXSA-N -1 1 330.779 2.449 20 0 EEADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1 ZINC001589982178 1349092169 /nfs/dbraw/zinc/09/21/69/1349092169.db2.gz SYCBWZCSYPGVAX-LKFCYVNXSA-N -1 1 330.779 2.449 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ncc(-c2ccccc2)o1 ZINC001589988385 1349094217 /nfs/dbraw/zinc/09/42/17/1349094217.db2.gz XUPSVZWAKKKKKC-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ncc(-c2ccccc2)o1 ZINC001589988385 1349094221 /nfs/dbraw/zinc/09/42/21/1349094221.db2.gz XUPSVZWAKKKKKC-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1cccnc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC001589985844 1349094509 /nfs/dbraw/zinc/09/45/09/1349094509.db2.gz SHQITRMXHQUUEQ-SDWAUSNYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](Nc1cccnc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC001589985844 1349094516 /nfs/dbraw/zinc/09/45/16/1349094516.db2.gz SHQITRMXHQUUEQ-SDWAUSNYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cc(F)cc(F)c1 ZINC001590007574 1349105301 /nfs/dbraw/zinc/10/53/01/1349105301.db2.gz BSESOBLSNBRGKY-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cc(F)cc(F)c1 ZINC001590007574 1349105306 /nfs/dbraw/zinc/10/53/06/1349105306.db2.gz BSESOBLSNBRGKY-VIFPVBQESA-N -1 1 345.309 2.387 20 0 EEADMM CC1(CC(F)F)CN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C1 ZINC001590123185 1349164412 /nfs/dbraw/zinc/16/44/12/1349164412.db2.gz GDFFAIYVNUPYEK-UHFFFAOYSA-N -1 1 346.341 2.465 20 0 EEADMM C[C@H]1CC(=O)c2c1c(F)ccc2Oc1ccnc(-c2nn[n-]n2)n1 ZINC001590180265 1349184470 /nfs/dbraw/zinc/18/44/70/1349184470.db2.gz OIDPSVUVXFDYOB-ZETCQYMHSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)[C@@H](c2ccccc2)CO1 ZINC001590310487 1349258491 /nfs/dbraw/zinc/25/84/91/1349258491.db2.gz VWUWYVGAWZIRCS-CXAGYDPISA-N -1 1 336.399 2.224 20 0 EEADMM CC/C(C)=C\C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001590388438 1349297337 /nfs/dbraw/zinc/29/73/37/1349297337.db2.gz JXAGRHBGCKSGPR-IXQCQIPYSA-N -1 1 347.448 2.047 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590401185 1349303211 /nfs/dbraw/zinc/30/32/11/1349303211.db2.gz CRZHEXORIYJBGT-WFASDCNBSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590401185 1349303214 /nfs/dbraw/zinc/30/32/14/1349303214.db2.gz CRZHEXORIYJBGT-WFASDCNBSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC001590422824 1349317618 /nfs/dbraw/zinc/31/76/18/1349317618.db2.gz KRWDEKXGCHJHQT-LBPRGKRZSA-N -1 1 339.403 2.431 20 0 EEADMM CC[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(C)cc1 ZINC001590422824 1349317624 /nfs/dbraw/zinc/31/76/24/1349317624.db2.gz KRWDEKXGCHJHQT-LBPRGKRZSA-N -1 1 339.403 2.431 20 0 EEADMM CCC(CC)CC(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001590433272 1349322623 /nfs/dbraw/zinc/32/26/23/1349322623.db2.gz BRCMQHLLRSVTBL-UHFFFAOYSA-N -1 1 348.476 2.403 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cc(F)ccc1OC ZINC001590460321 1349336551 /nfs/dbraw/zinc/33/65/51/1349336551.db2.gz SURKIURUOZHODS-NSHDSACASA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cc(F)ccc1OC ZINC001590460321 1349336556 /nfs/dbraw/zinc/33/65/56/1349336556.db2.gz SURKIURUOZHODS-NSHDSACASA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](O)c1ccccc1 ZINC001590460250 1349336999 /nfs/dbraw/zinc/33/69/99/1349336999.db2.gz QYQHLDRVMOBAMY-BXUZGUMPSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](O)c1ccccc1 ZINC001590460250 1349337001 /nfs/dbraw/zinc/33/70/01/1349337001.db2.gz QYQHLDRVMOBAMY-BXUZGUMPSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1 ZINC001590460557 1349338923 /nfs/dbraw/zinc/33/89/23/1349338923.db2.gz ZQYGGHKGHNLRJD-NSHDSACASA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccccc1 ZINC001590460557 1349338929 /nfs/dbraw/zinc/33/89/29/1349338929.db2.gz ZQYGGHKGHNLRJD-NSHDSACASA-N -1 1 341.396 2.320 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590511898 1349362625 /nfs/dbraw/zinc/36/26/25/1349362625.db2.gz OESWYXRZAVRVRG-MNOVXSKESA-N -1 1 339.421 2.049 20 0 EEADMM CCC[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590559745 1349370854 /nfs/dbraw/zinc/37/08/54/1349370854.db2.gz KRYFBJZAMUBLKK-DGCLKSJQSA-N -1 1 341.375 2.104 20 0 EEADMM CCc1nc(NCCc2ccc3ccccc3n2)cc(-c2nnn[n-]2)n1 ZINC001590922155 1349411923 /nfs/dbraw/zinc/41/19/23/1349411923.db2.gz FVTAJFRZLJLLGU-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CCc1nc(NCCc2ccc3ccccc3n2)cc(-c2nn[n-]n2)n1 ZINC001590922155 1349411926 /nfs/dbraw/zinc/41/19/26/1349411926.db2.gz FVTAJFRZLJLLGU-UHFFFAOYSA-N -1 1 346.398 2.422 20 0 EEADMM CCc1nnc(Sc2nnc(CC)c(CC)c2-c2nn[n-]n2)s1 ZINC001590934002 1349419331 /nfs/dbraw/zinc/41/93/31/1349419331.db2.gz PHZLJEMKVGACOY-UHFFFAOYSA-N -1 1 348.461 2.347 20 0 EEADMM CN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001590994976 1349427964 /nfs/dbraw/zinc/42/79/64/1349427964.db2.gz WUAXTAGFZFWUBR-UHFFFAOYSA-N -1 1 346.297 2.140 20 0 EEADMM CN(C(=O)c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001590994976 1349427972 /nfs/dbraw/zinc/42/79/72/1349427972.db2.gz WUAXTAGFZFWUBR-UHFFFAOYSA-N -1 1 346.297 2.140 20 0 EEADMM COC(=O)C1(CCCCNc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001591243724 1349453052 /nfs/dbraw/zinc/45/30/52/1349453052.db2.gz SYDUAMLABHWEMA-UHFFFAOYSA-N -1 1 330.392 2.187 20 0 EEADMM COC(=O)C1(CCCCNc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001591243724 1349453057 /nfs/dbraw/zinc/45/30/57/1349453057.db2.gz SYDUAMLABHWEMA-UHFFFAOYSA-N -1 1 330.392 2.187 20 0 EEADMM COCC(C)(C)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001591368611 1349472453 /nfs/dbraw/zinc/47/24/53/1349472453.db2.gz BAOVYLWZFKVFRW-UHFFFAOYSA-N -1 1 330.314 2.365 20 0 EEADMM COCC(C)(C)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001591368611 1349472456 /nfs/dbraw/zinc/47/24/56/1349472456.db2.gz BAOVYLWZFKVFRW-UHFFFAOYSA-N -1 1 330.314 2.365 20 0 EEADMM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591375696 1349474961 /nfs/dbraw/zinc/47/49/61/1349474961.db2.gz VLVKYQTYIXSYDI-JTQLQIEISA-N -1 1 342.359 2.159 20 0 EEADMM COCCc1ccc(OC(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001591447046 1349486918 /nfs/dbraw/zinc/48/69/18/1349486918.db2.gz FNWKYMRFOSQYQB-UHFFFAOYSA-N -1 1 342.330 2.414 20 0 EEADMM COCCc1ccc(OC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001591447046 1349486922 /nfs/dbraw/zinc/48/69/22/1349486922.db2.gz FNWKYMRFOSQYQB-UHFFFAOYSA-N -1 1 342.330 2.414 20 0 EEADMM COc1cc(CN(C)c2ccc(C)nc2-c2nnn[n-]2)cc(OC)c1 ZINC001591525297 1349499150 /nfs/dbraw/zinc/49/91/50/1349499150.db2.gz CWWBONPHJYKHDB-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cc(CN(C)c2ccc(C)nc2-c2nn[n-]n2)cc(OC)c1 ZINC001591525297 1349499160 /nfs/dbraw/zinc/49/91/60/1349499160.db2.gz CWWBONPHJYKHDB-UHFFFAOYSA-N -1 1 340.387 2.224 20 0 EEADMM COc1cc(F)c(OCc2nc(-c3nnn[n-]3)cs2)cc1OC ZINC001591540482 1349502362 /nfs/dbraw/zinc/50/23/62/1349502362.db2.gz UTIHHVUIIMGJOO-UHFFFAOYSA-N -1 1 337.336 2.059 20 0 EEADMM COc1cc(F)c(OCc2nc(-c3nn[n-]n3)cs2)cc1OC ZINC001591540482 1349502368 /nfs/dbraw/zinc/50/23/68/1349502368.db2.gz UTIHHVUIIMGJOO-UHFFFAOYSA-N -1 1 337.336 2.059 20 0 EEADMM COc1ccccc1C(C)=CC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591646778 1349523958 /nfs/dbraw/zinc/52/39/58/1349523958.db2.gz LKHXVPGXNJLNQO-KHPPLWFESA-N -1 1 336.355 2.312 20 0 EEADMM COc1ccccc1C(C)=CC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591646778 1349523962 /nfs/dbraw/zinc/52/39/62/1349523962.db2.gz LKHXVPGXNJLNQO-KHPPLWFESA-N -1 1 336.355 2.312 20 0 EEADMM CSC1(CNC(=O)Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001591688312 1349528483 /nfs/dbraw/zinc/52/84/83/1349528483.db2.gz NZCUVYWPMFSCSF-UHFFFAOYSA-N -1 1 339.450 2.039 20 0 EEADMM CSC1(CNC(=O)Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001591688312 1349528491 /nfs/dbraw/zinc/52/84/91/1349528491.db2.gz NZCUVYWPMFSCSF-UHFFFAOYSA-N -1 1 339.450 2.039 20 0 EEADMM CS[C@H](C)C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001591687544 1349528698 /nfs/dbraw/zinc/52/86/98/1349528698.db2.gz FBZIGLNAPORVTC-SNVBAGLBSA-N -1 1 343.416 2.051 20 0 EEADMM CS[C@H](C)C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001591687544 1349528705 /nfs/dbraw/zinc/52/87/05/1349528705.db2.gz FBZIGLNAPORVTC-SNVBAGLBSA-N -1 1 343.416 2.051 20 0 EEADMM Cc1cc(C(=O)Cn2ccc(-c3nn[n-]n3)cc2=O)c(C)c(C)c1C ZINC001591907975 1349556037 /nfs/dbraw/zinc/55/60/37/1349556037.db2.gz LORZDEISASDMEP-UHFFFAOYSA-N -1 1 337.383 2.145 20 0 EEADMM Cc1cc(C)c(-c2nn[nH]n2)c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001591944600 1349566743 /nfs/dbraw/zinc/56/67/43/1349566743.db2.gz OCNZEHOTUAXTLQ-BETUJISGSA-N -1 1 348.476 2.080 20 0 EEADMM Cc1cc(C)nc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)c1 ZINC001591956527 1349568367 /nfs/dbraw/zinc/56/83/67/1349568367.db2.gz FNSBFXAIUGKZOD-UHFFFAOYSA-N -1 1 332.367 2.242 20 0 EEADMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1-c1nn[nH]n1 ZINC001592130123 1349594361 /nfs/dbraw/zinc/59/43/61/1349594361.db2.gz XIWCJPAUNOJDAF-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM Cc1csc(C[C@@H]2CCN(c3ccc(C)c(-c4nnn[n-]4)n3)C2)n1 ZINC001592313119 1349619828 /nfs/dbraw/zinc/61/98/28/1349619828.db2.gz BYLLCCBHINXAHA-LBPRGKRZSA-N -1 1 341.444 2.404 20 0 EEADMM Cc1csc(C[C@@H]2CCN(c3ccc(C)c(-c4nn[n-]n4)n3)C2)n1 ZINC001592313119 1349619833 /nfs/dbraw/zinc/61/98/33/1349619833.db2.gz BYLLCCBHINXAHA-LBPRGKRZSA-N -1 1 341.444 2.404 20 0 EEADMM Cc1csc([C@H](C)CNC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001592313553 1349619884 /nfs/dbraw/zinc/61/98/84/1349619884.db2.gz AAXJQUKSYWNSDW-SSDOTTSWSA-N -1 1 334.430 2.227 20 0 EEADMM Cc1csc([C@H](C)CNC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001592313553 1349619887 /nfs/dbraw/zinc/61/98/87/1349619887.db2.gz AAXJQUKSYWNSDW-SSDOTTSWSA-N -1 1 334.430 2.227 20 0 EEADMM Cc1nc(NC[C@@H](C)COCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001592384871 1349625906 /nfs/dbraw/zinc/62/59/06/1349625906.db2.gz VMBFKXLLDKYVJH-GFCCVEGCSA-N -1 1 339.403 2.230 20 0 EEADMM Cc1nc(NC[C@@H](C)COCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001592384871 1349625907 /nfs/dbraw/zinc/62/59/07/1349625907.db2.gz VMBFKXLLDKYVJH-GFCCVEGCSA-N -1 1 339.403 2.230 20 0 EEADMM Cc1nc(NCCc2nc(-c3ccccc3)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001592393448 1349626983 /nfs/dbraw/zinc/62/69/83/1349626983.db2.gz PUYITOBEMMOVDI-UHFFFAOYSA-N -1 1 347.386 2.010 20 0 EEADMM Cc1nc(NCCc2nc(-c3ccccc3)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001592393448 1349626984 /nfs/dbraw/zinc/62/69/84/1349626984.db2.gz PUYITOBEMMOVDI-UHFFFAOYSA-N -1 1 347.386 2.010 20 0 EEADMM Cc1cccc2c(CCNc3cc(-c4nnn[n-]4)nc(C)n3)c[nH]c21 ZINC001592391982 1349627064 /nfs/dbraw/zinc/62/70/64/1349627064.db2.gz YWJIOCGNBFOYJO-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1cccc2c(CCNc3cc(-c4nn[n-]n4)nc(C)n3)c[nH]c21 ZINC001592391982 1349627067 /nfs/dbraw/zinc/62/70/67/1349627067.db2.gz YWJIOCGNBFOYJO-UHFFFAOYSA-N -1 1 334.387 2.409 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC001592433563 1349631827 /nfs/dbraw/zinc/63/18/27/1349631827.db2.gz FYENDARZPFQHRB-PXAZEXFGSA-N -1 1 337.387 2.041 20 0 EEADMM Cc1nn(C)c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001592433563 1349631828 /nfs/dbraw/zinc/63/18/28/1349631828.db2.gz FYENDARZPFQHRB-PXAZEXFGSA-N -1 1 337.387 2.041 20 0 EEADMM Cc1nsc(C)c1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC001592468387 1349634845 /nfs/dbraw/zinc/63/48/45/1349634845.db2.gz JURUUZMOGVLVGQ-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1nsc(NC/C=C\CNC(=O)[C@H](C)C(C)C)c1-c1nn[n-]n1 ZINC001592489183 1349636574 /nfs/dbraw/zinc/63/65/74/1349636574.db2.gz LLRXGHVMPCSVBV-WWQCOOJYSA-N -1 1 349.464 2.008 20 0 EEADMM Cc1nsc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001592488580 1349636882 /nfs/dbraw/zinc/63/68/82/1349636882.db2.gz JGOSGKJIBDHHRZ-BQBZGAKWSA-N -1 1 334.327 2.153 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC001592496843 1349637259 /nfs/dbraw/zinc/63/72/59/1349637259.db2.gz MLRDKBGWQFMJGP-CQSZACIVSA-N -1 1 338.371 2.386 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC(C)(C)[C@H]1c1cccnc1 ZINC001592496843 1349637260 /nfs/dbraw/zinc/63/72/60/1349637260.db2.gz MLRDKBGWQFMJGP-CQSZACIVSA-N -1 1 338.371 2.386 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC001592502486 1349640124 /nfs/dbraw/zinc/64/01/24/1349640124.db2.gz SXJGZEIATSITGP-WCBMZHEXSA-N -1 1 346.265 2.035 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]([C@@H]1CCCO1)C(F)(F)F ZINC001592502486 1349640125 /nfs/dbraw/zinc/64/01/25/1349640125.db2.gz SXJGZEIATSITGP-WCBMZHEXSA-N -1 1 346.265 2.035 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)sc1-c1nnn[n-]1 ZINC001592540588 1349653222 /nfs/dbraw/zinc/65/32/22/1349653222.db2.gz NHQYYJQSBYPGBP-RNJXMRFFSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1nc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)sc1-c1nn[n-]n1 ZINC001592540588 1349653224 /nfs/dbraw/zinc/65/32/24/1349653224.db2.gz NHQYYJQSBYPGBP-RNJXMRFFSA-N -1 1 326.813 2.346 20 0 EEADMM Clc1sc(N2CCC([C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC001592541639 1349654193 /nfs/dbraw/zinc/65/41/93/1349654193.db2.gz IMQGRNJDBSFIQC-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Cn1cc2c(n1)CCC[C@@H]2Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001592577622 1349660671 /nfs/dbraw/zinc/66/06/71/1349660671.db2.gz KCCHLNAQSDGIFA-ZETCQYMHSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1cc2c(n1)CCC[C@@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001592577622 1349660672 /nfs/dbraw/zinc/66/06/72/1349660672.db2.gz KCCHLNAQSDGIFA-ZETCQYMHSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1nccc1[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001592606911 1349669224 /nfs/dbraw/zinc/66/92/24/1349669224.db2.gz RYKFJEZWZORHEO-GFCCVEGCSA-N -1 1 344.810 2.380 20 0 EEADMM Cn1nccc1[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001592606911 1349669228 /nfs/dbraw/zinc/66/92/28/1349669228.db2.gz RYKFJEZWZORHEO-GFCCVEGCSA-N -1 1 344.810 2.380 20 0 EEADMM Fc1ccc(-n2ccc(COc3cccnc3-c3nnn[n-]3)n2)cc1 ZINC001592646141 1349691805 /nfs/dbraw/zinc/69/18/05/1349691805.db2.gz IVIFTURHIVHQCV-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1ccc(-n2ccc(COc3cccnc3-c3nn[n-]n3)n2)cc1 ZINC001592646141 1349691810 /nfs/dbraw/zinc/69/18/10/1349691810.db2.gz IVIFTURHIVHQCV-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592950112 1349729076 /nfs/dbraw/zinc/72/90/76/1349729076.db2.gz SSLJRCJFKSCGCX-YPMHNXCESA-N -1 1 333.417 2.006 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1csc(Cl)c1 ZINC001593195966 1349744947 /nfs/dbraw/zinc/74/49/47/1349744947.db2.gz JSNUZFWQEXKZAS-UHFFFAOYSA-N -1 1 335.780 2.434 20 0 EEADMM O=C(Nc1cccc(-n2ccnc2)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593244918 1349749246 /nfs/dbraw/zinc/74/92/46/1349749246.db2.gz KPANCWWJSPKDMS-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(F)cc2cccnc21 ZINC001593245461 1349749400 /nfs/dbraw/zinc/74/94/00/1349749400.db2.gz NYADARLEJOLTCG-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(F)cc2cccnc21 ZINC001593245461 1349749403 /nfs/dbraw/zinc/74/94/03/1349749403.db2.gz NYADARLEJOLTCG-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1c(F)ccc2ccncc21 ZINC001593245553 1349749643 /nfs/dbraw/zinc/74/96/43/1349749643.db2.gz UONVWYYPWCMZHY-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1c(F)ccc2ccncc21 ZINC001593245553 1349749648 /nfs/dbraw/zinc/74/96/48/1349749648.db2.gz UONVWYYPWCMZHY-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1cccc2c1CCO2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593250195 1349750230 /nfs/dbraw/zinc/75/02/30/1349750230.db2.gz SPZLXWSZRLTFST-UHFFFAOYSA-N -1 1 342.746 2.102 20 0 EEADMM O=C(Nc1nc(-c2cccnc2)cs1)c1coc(-c2nnn[n-]2)c1 ZINC001593259752 1349754237 /nfs/dbraw/zinc/75/42/37/1349754237.db2.gz GERPYFTVBRFAFR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(-c2cccnc2)cs1)c1coc(-c2nn[n-]n2)c1 ZINC001593259752 1349754243 /nfs/dbraw/zinc/75/42/43/1349754243.db2.gz GERPYFTVBRFAFR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccc(Cl)nc1 ZINC001593263845 1349754674 /nfs/dbraw/zinc/75/46/74/1349754674.db2.gz GSHVMLNKWDQNQY-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCCCCC1 ZINC001593264491 1349754789 /nfs/dbraw/zinc/75/47/89/1349754789.db2.gz SXWZPZXKZFSPGI-UHFFFAOYSA-N -1 1 327.801 2.385 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cnc2cc[nH]c2c1 ZINC001593263783 1349755128 /nfs/dbraw/zinc/75/51/28/1349755128.db2.gz FECYUGIEPCCMFH-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(OCc1cccc2nccn21)c1cccc(F)c1-c1nn[n-]n1 ZINC001593301370 1349774193 /nfs/dbraw/zinc/77/41/93/1349774193.db2.gz XZHNTJPYFJHBFV-UHFFFAOYSA-N -1 1 338.302 2.011 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1coc(C2CCCC2)n1 ZINC001593301758 1349774546 /nfs/dbraw/zinc/77/45/46/1349774546.db2.gz OMWADVOWYGFGBV-UHFFFAOYSA-N -1 1 340.343 2.264 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1coc(C2CCCC2)n1 ZINC001593301758 1349774547 /nfs/dbraw/zinc/77/45/47/1349774547.db2.gz OMWADVOWYGFGBV-UHFFFAOYSA-N -1 1 340.343 2.264 20 0 EEADMM O=C(OCc1cnn(-c2ccccc2)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593303446 1349775261 /nfs/dbraw/zinc/77/52/61/1349775261.db2.gz LGBRLICDAOSEOK-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(OCc1cnn(-c2ccccc2)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593303446 1349775265 /nfs/dbraw/zinc/77/52/65/1349775265.db2.gz LGBRLICDAOSEOK-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2cc(F)c(F)cc21 ZINC001593402560 1349796965 /nfs/dbraw/zinc/79/69/65/1349796965.db2.gz QFBSCZTTWFJDDC-LLVKDONJSA-N -1 1 334.311 2.061 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@@H]1CCCCC1(F)F)CCC2 ZINC001593490399 1349816858 /nfs/dbraw/zinc/81/68/58/1349816858.db2.gz GSAZTORGEQKYPB-NSHDSACASA-N -1 1 335.358 2.343 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1cc(Cl)ccn1 ZINC001593494639 1349819799 /nfs/dbraw/zinc/81/97/99/1349819799.db2.gz PYKAPXVQYHVQFY-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O[C@H](CCNc1c2ccccc2nnc1-c1nnn[n-]1)C1CCCC1 ZINC001593501888 1349821431 /nfs/dbraw/zinc/82/14/31/1349821431.db2.gz OZKGORHHHQLNLP-CQSZACIVSA-N -1 1 339.403 2.163 20 0 EEADMM O[C@H](CCNc1c2ccccc2nnc1-c1nn[n-]n1)C1CCCC1 ZINC001593501888 1349821436 /nfs/dbraw/zinc/82/14/36/1349821436.db2.gz OZKGORHHHQLNLP-CQSZACIVSA-N -1 1 339.403 2.163 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1nc(Cl)c(-c3nnn[n-]3)s1)C2 ZINC001593539550 1349836127 /nfs/dbraw/zinc/83/61/27/1349836127.db2.gz AJKLLCSEHZHROP-ZETCQYMHSA-N -1 1 334.792 2.262 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1nc(Cl)c(-c3nn[n-]n3)s1)C2 ZINC001593539550 1349836131 /nfs/dbraw/zinc/83/61/31/1349836131.db2.gz AJKLLCSEHZHROP-ZETCQYMHSA-N -1 1 334.792 2.262 20 0 EEADMM c1cc(Sc2nnc(C3CC3)n2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001593562945 1349850727 /nfs/dbraw/zinc/85/07/27/1349850727.db2.gz TWSVWOGSHLSUFY-UHFFFAOYSA-N -1 1 326.389 2.217 20 0 EEADMM c1cc(Sc2nnc(C3CC3)n2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001593562945 1349850731 /nfs/dbraw/zinc/85/07/31/1349850731.db2.gz TWSVWOGSHLSUFY-UHFFFAOYSA-N -1 1 326.389 2.217 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nnn[n-]3)ncn2)C2CCOCC2)cc1 ZINC001593570462 1349855529 /nfs/dbraw/zinc/85/55/29/1349855529.db2.gz GXWVUVUEFDZKEH-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](Nc2cc(-c3nn[n-]n3)ncn2)C2CCOCC2)cc1 ZINC001593570462 1349855533 /nfs/dbraw/zinc/85/55/33/1349855533.db2.gz GXWVUVUEFDZKEH-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1cncc(COc2cccc(Nc3cc(-c4nnn[n-]4)ncn3)c2)c1 ZINC001593587265 1349865483 /nfs/dbraw/zinc/86/54/83/1349865483.db2.gz FLCLIRCKDUWMIQ-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1cncc(COc2cccc(Nc3cc(-c4nn[n-]n4)ncn3)c2)c1 ZINC001593587265 1349865487 /nfs/dbraw/zinc/86/54/87/1349865487.db2.gz FLCLIRCKDUWMIQ-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1cn(-c2ccc(CSc3cccnc3-c3nnn[n-]3)cn2)cn1 ZINC001593585701 1349865712 /nfs/dbraw/zinc/86/57/12/1349865712.db2.gz ZXBYIQAYOSGQLN-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM c1cn(-c2ccc(CSc3cccnc3-c3nn[n-]n3)cn2)cn1 ZINC001593585701 1349865717 /nfs/dbraw/zinc/86/57/17/1349865717.db2.gz ZXBYIQAYOSGQLN-UHFFFAOYSA-N -1 1 336.384 2.135 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@]1(C)CCCO ZINC001600357807 1350028846 /nfs/dbraw/zinc/02/88/46/1350028846.db2.gz YGETXIMZRBCNOW-SFHVURJKSA-N -1 1 334.416 2.259 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)CC2 ZINC001600492049 1350065171 /nfs/dbraw/zinc/06/51/71/1350065171.db2.gz AEIYBURTNTXONK-WMLDXEAASA-N -1 1 345.443 2.173 20 0 EEADMM Cc1ccc2nc(C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)ccc2c1 ZINC001600502090 1350067492 /nfs/dbraw/zinc/06/74/92/1350067492.db2.gz XAQMCNGHPSTRST-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)NC[C@H](c1cccs1)N(C)C ZINC001600642248 1350104872 /nfs/dbraw/zinc/10/48/72/1350104872.db2.gz KPTMUBIWDZYOTQ-LLVKDONJSA-N -1 1 336.413 2.309 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC001600644265 1350106341 /nfs/dbraw/zinc/10/63/41/1350106341.db2.gz XAOFIGNJIUIYFM-UHFFFAOYSA-N -1 1 326.312 2.048 20 0 EEADMM Cc1nc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)n[nH]1 ZINC001600671795 1350114144 /nfs/dbraw/zinc/11/41/44/1350114144.db2.gz ZCFBHWIKEYKHFU-HNNXBMFYSA-N -1 1 338.367 2.141 20 0 EEADMM Cc1nc(CC(=O)Nc2cccc(CSCCC(=O)[O-])c2)n[nH]1 ZINC001600670970 1350114189 /nfs/dbraw/zinc/11/41/89/1350114189.db2.gz DDIFWZXCOJTIRJ-UHFFFAOYSA-N -1 1 334.401 2.002 20 0 EEADMM Cc1[nH+]c(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1C(=O)[O-] ZINC001600710888 1350119421 /nfs/dbraw/zinc/11/94/21/1350119421.db2.gz UQVQQKNSDGLCOH-CABCVRRESA-N -1 1 326.352 2.393 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC001600784757 1350136418 /nfs/dbraw/zinc/13/64/18/1350136418.db2.gz RNFSBRUUBKKUFA-NVXWUHKLSA-N -1 1 335.448 2.364 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC001600784755 1350136499 /nfs/dbraw/zinc/13/64/99/1350136499.db2.gz RNFSBRUUBKKUFA-DOTOQJQBSA-N -1 1 335.448 2.364 20 0 EEADMM Cn1nc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001601015089 1350190460 /nfs/dbraw/zinc/19/04/60/1350190460.db2.gz HDXPSKPWZOWOBC-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM O=C([O-])[C@]12C[C@H]1CCCN2CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001601313222 1350255174 /nfs/dbraw/zinc/25/51/74/1350255174.db2.gz FEHOUTWNHIAGNQ-HWPZZCPQSA-N -1 1 340.326 2.166 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC001601394103 1350272837 /nfs/dbraw/zinc/27/28/37/1350272837.db2.gz GQDYYRUGKCWYQW-LLVKDONJSA-N -1 1 347.289 2.021 20 0 EEADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601692305 1350340067 /nfs/dbraw/zinc/34/00/67/1350340067.db2.gz ZGMDWZVEDIXITO-WRWORJQWSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCOCc1ccccc1)C[C@@H]2C(=O)[O-] ZINC001601781035 1350363539 /nfs/dbraw/zinc/36/35/39/1350363539.db2.gz NVYCHLVBUZYNCW-KOHRHEQBSA-N -1 1 347.411 2.091 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCc1ccc(F)cc1F)C[C@H]2C(=O)[O-] ZINC001601779872 1350363589 /nfs/dbraw/zinc/36/35/89/1350363589.db2.gz HIJIIFNKKWGQKM-XKZABGERSA-N -1 1 339.338 2.005 20 0 EEADMM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001601864932 1350384755 /nfs/dbraw/zinc/38/47/55/1350384755.db2.gz UBXSAJXIUSDUSF-IAGOWNOFSA-N -1 1 349.333 2.215 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1ccn(-c2ccncc2)n1)c1cccs1 ZINC001601905385 1350394237 /nfs/dbraw/zinc/39/42/37/1350394237.db2.gz DTGRCDCPLGHCTK-CYBMUJFWSA-N -1 1 342.380 2.275 20 0 EEADMM O=C([O-])CN1CCN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC1 ZINC001602063189 1350430266 /nfs/dbraw/zinc/43/02/66/1350430266.db2.gz JXFDQYXEXSKIPW-SOFGYWHQSA-N -1 1 342.370 2.221 20 0 EEADMM O=C([O-])c1cc(CNC[C@@H]2CSCCN2Cc2ccccc2)on1 ZINC001602257783 1350479691 /nfs/dbraw/zinc/47/96/91/1350479691.db2.gz CQYOZUQLWXUYRM-CQSZACIVSA-N -1 1 347.440 2.080 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCN(c3ccccc3O)CC2)c1 ZINC001602449546 1350521778 /nfs/dbraw/zinc/52/17/78/1350521778.db2.gz JWPPBENBSLLMCY-UHFFFAOYSA-N -1 1 342.395 2.291 20 0 EEADMM O=C([O-])c1cnc(N2CCN(CCCF)CC2)cc1C(F)(F)F ZINC001602527669 1350538877 /nfs/dbraw/zinc/53/88/77/1350538877.db2.gz ZIFQULVKEPKYBA-UHFFFAOYSA-N -1 1 335.301 2.280 20 0 EEADMM O=C([O-])c1ccc(CN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)o1 ZINC001602649747 1350565904 /nfs/dbraw/zinc/56/59/04/1350565904.db2.gz YZBOMALZNUIBIG-LBPRGKRZSA-N -1 1 341.367 2.011 20 0 EEADMM CC(=Cc1ccnn1C(C)C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001602907173 1350604265 /nfs/dbraw/zinc/60/42/65/1350604265.db2.gz SYDKGRNHWVPOBE-VQHVLOKHSA-N -1 1 326.364 2.009 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1cc(C)nc(-c3nnn[n-]3)c1)CC2 ZINC001602955978 1350610882 /nfs/dbraw/zinc/61/08/82/1350610882.db2.gz FVGGCSOYSBMQAT-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(=O)Nc1ccc2c(c1)CN(c1cc(C)nc(-c3nn[n-]n3)c1)CC2 ZINC001602955978 1350610887 /nfs/dbraw/zinc/61/08/87/1350610887.db2.gz FVGGCSOYSBMQAT-UHFFFAOYSA-N -1 1 349.398 2.091 20 0 EEADMM CC(C)(C)CC[C@@](C)([NH2+]Cc1cccc(-c2nn[n-]n2)n1)C(=O)[O-] ZINC001603070683 1350632758 /nfs/dbraw/zinc/63/27/58/1350632758.db2.gz CECXKGCWKZQNRV-MRXNPFEDSA-N -1 1 332.408 2.021 20 0 EEADMM CC(C)(C)Oc1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC001603108233 1350641164 /nfs/dbraw/zinc/64/11/64/1350641164.db2.gz AWSVLVBLZQZZTI-UHFFFAOYSA-N -1 1 325.372 2.254 20 0 EEADMM CC(C)(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001603147537 1350649877 /nfs/dbraw/zinc/64/98/77/1350649877.db2.gz WCAJIIZISSZENO-UHFFFAOYSA-N -1 1 349.263 2.463 20 0 EEADMM CC(C)(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(F)(F)F ZINC001603147537 1350649881 /nfs/dbraw/zinc/64/98/81/1350649881.db2.gz WCAJIIZISSZENO-UHFFFAOYSA-N -1 1 349.263 2.463 20 0 EEADMM CC(C)(NC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccs1 ZINC001603165023 1350653216 /nfs/dbraw/zinc/65/32/16/1350653216.db2.gz UOOFDMHBAXBOQI-UHFFFAOYSA-N -1 1 349.445 2.119 20 0 EEADMM CC(C)(NC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccs1 ZINC001603165023 1350653221 /nfs/dbraw/zinc/65/32/21/1350653221.db2.gz UOOFDMHBAXBOQI-UHFFFAOYSA-N -1 1 349.445 2.119 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001603263479 1350674857 /nfs/dbraw/zinc/67/48/57/1350674857.db2.gz NPPQZKCZDXLMBK-GFCCVEGCSA-N -1 1 332.408 2.066 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603263479 1350674862 /nfs/dbraw/zinc/67/48/62/1350674862.db2.gz NPPQZKCZDXLMBK-GFCCVEGCSA-N -1 1 332.408 2.066 20 0 EEADMM CC(C)OCc1ccccc1CNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603356750 1350693863 /nfs/dbraw/zinc/69/38/63/1350693863.db2.gz IOYHWZGOPGXCCI-UHFFFAOYSA-N -1 1 341.371 2.315 20 0 EEADMM CC(C)OCc1ccccc1CNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603356750 1350693865 /nfs/dbraw/zinc/69/38/65/1350693865.db2.gz IOYHWZGOPGXCCI-UHFFFAOYSA-N -1 1 341.371 2.315 20 0 EEADMM CC(C)(C)OC(=O)NCCCNC(C)(C)c1nocc1C(=O)[O-] ZINC001603461450 1350708399 /nfs/dbraw/zinc/70/83/99/1350708399.db2.gz JXSCLPAGFCQYPI-UHFFFAOYSA-N -1 1 327.381 2.112 20 0 EEADMM C[C@@H](CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)CC(F)(F)F ZINC001603540878 1350717664 /nfs/dbraw/zinc/71/76/64/1350717664.db2.gz ANEMXNFHZQFPFL-ZCFIWIBFSA-N -1 1 349.263 2.463 20 0 EEADMM C[C@@H](CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)CC(F)(F)F ZINC001603540878 1350717672 /nfs/dbraw/zinc/71/76/72/1350717672.db2.gz ANEMXNFHZQFPFL-ZCFIWIBFSA-N -1 1 349.263 2.463 20 0 EEADMM C[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccn1 ZINC001603553784 1350719311 /nfs/dbraw/zinc/71/93/11/1350719311.db2.gz ZGTISZGJXLGDLF-LLVKDONJSA-N -1 1 332.371 2.421 20 0 EEADMM C[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccn1 ZINC001603553784 1350719318 /nfs/dbraw/zinc/71/93/18/1350719318.db2.gz ZGTISZGJXLGDLF-LLVKDONJSA-N -1 1 332.371 2.421 20 0 EEADMM C[C@@H](O)[C@H](C)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001603694312 1350744496 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ZINC001605492729 1351170276 /nfs/dbraw/zinc/17/02/76/1351170276.db2.gz CPGUIJFOLDBMKR-UHFFFAOYSA-N -1 1 346.383 2.091 20 0 EEADMM Cc1cnc([C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C2CC2)s1 ZINC001605568701 1351191637 /nfs/dbraw/zinc/19/16/37/1351191637.db2.gz ONEPNXRQZGWTOC-LLVKDONJSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1cnc([C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C2CC2)s1 ZINC001605568701 1351191638 /nfs/dbraw/zinc/19/16/38/1351191638.db2.gz ONEPNXRQZGWTOC-LLVKDONJSA-N -1 1 328.405 2.293 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(OC(C)C)cc2)n1 ZINC001605582329 1351194429 /nfs/dbraw/zinc/19/44/29/1351194429.db2.gz QKGKAHKFQZUUHA-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(OC(C)C)cc2)n1 ZINC001605582329 1351194435 /nfs/dbraw/zinc/19/44/35/1351194435.db2.gz QKGKAHKFQZUUHA-UHFFFAOYSA-N -1 1 325.376 2.364 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001605828015 1351230560 /nfs/dbraw/zinc/23/05/60/1351230560.db2.gz YOUSPLGJFRVVBE-GWCFXTLKSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001605828015 1351230564 /nfs/dbraw/zinc/23/05/64/1351230564.db2.gz YOUSPLGJFRVVBE-GWCFXTLKSA-N -1 1 343.412 2.089 20 0 EEADMM CCc1cccc(CC)c1NC(=O)CN[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001605830385 1351231174 /nfs/dbraw/zinc/23/11/74/1351231174.db2.gz KNRZKNRFINKLFV-JKSUJKDBSA-N -1 1 348.443 2.362 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)c(C)c1 ZINC001605842740 1351233779 /nfs/dbraw/zinc/23/37/79/1351233779.db2.gz YXDRAGIHOWZDCL-GFCCVEGCSA-N -1 1 325.372 2.438 20 0 EEADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)c1 ZINC001605842740 1351233783 /nfs/dbraw/zinc/23/37/83/1351233783.db2.gz YXDRAGIHOWZDCL-GFCCVEGCSA-N -1 1 325.372 2.438 20 0 EEADMM Cc1ccc(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)cc1C ZINC001605860844 1351240027 /nfs/dbraw/zinc/24/00/27/1351240027.db2.gz ATGCVSVIFKLHIZ-UHFFFAOYSA-N -1 1 349.394 2.213 20 0 EEADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC001605885477 1351246819 /nfs/dbraw/zinc/24/68/19/1351246819.db2.gz SFQXIBYPHWCJKC-UHFFFAOYSA-N -1 1 335.341 2.217 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001605908641 1351251877 /nfs/dbraw/zinc/25/18/77/1351251877.db2.gz JUSOWRXLWWDZCQ-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001605908641 1351251880 /nfs/dbraw/zinc/25/18/80/1351251880.db2.gz JUSOWRXLWWDZCQ-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM COC(=O)C[C@]1(NCc2cccc(C(=O)[O-])c2Cl)CCCOC1 ZINC001606445633 1351303524 /nfs/dbraw/zinc/30/35/24/1351303524.db2.gz PISXLSMBVJESKR-MRXNPFEDSA-N -1 1 341.791 2.240 20 0 EEADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ncc(-c2nnn[n-]2)s1 ZINC001606493093 1351311604 /nfs/dbraw/zinc/31/16/04/1351311604.db2.gz UQLWMWWRSUECGY-UFBFGSQYSA-N -1 1 340.359 2.477 20 0 EEADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ncc(-c2nn[n-]n2)s1 ZINC001606493093 1351311606 /nfs/dbraw/zinc/31/16/06/1351311606.db2.gz UQLWMWWRSUECGY-UFBFGSQYSA-N -1 1 340.359 2.477 20 0 EEADMM O=C(CC/C=C\c1ccccc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001606513203 1351314772 /nfs/dbraw/zinc/31/47/72/1351314772.db2.gz MUUUHQYBNODVHG-YWEYNIOJSA-N -1 1 334.383 2.372 20 0 EEADMM O=C(CC/C=C\c1ccccc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001606513203 1351314776 /nfs/dbraw/zinc/31/47/76/1351314776.db2.gz MUUUHQYBNODVHG-YWEYNIOJSA-N -1 1 334.383 2.372 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646445 1351336759 /nfs/dbraw/zinc/33/67/59/1351336759.db2.gz CYZROMWCGXJCCD-UHTWSYAYSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646445 1351336762 /nfs/dbraw/zinc/33/67/62/1351336762.db2.gz CYZROMWCGXJCCD-UHTWSYAYSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccnc(-c2nnn[n-]2)c1 ZINC001606660757 1351338601 /nfs/dbraw/zinc/33/86/01/1351338601.db2.gz PNVJCUGPZSEBJR-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccnc(-c2nn[n-]n2)c1 ZINC001606660757 1351338604 /nfs/dbraw/zinc/33/86/04/1351338604.db2.gz PNVJCUGPZSEBJR-CQSZACIVSA-N -1 1 326.404 2.495 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001606763125 1351353272 /nfs/dbraw/zinc/35/32/72/1351353272.db2.gz BSHDNWIXWHGLGS-UHFFFAOYSA-N -1 1 339.424 2.463 20 0 EEADMM O=C(Nc1cccc2c1OCC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606938014 1351379890 /nfs/dbraw/zinc/37/98/90/1351379890.db2.gz DTYSDULYRGWDOK-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM O=C(Nc1cccc2c1OCC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606938014 1351379891 /nfs/dbraw/zinc/37/98/91/1351379891.db2.gz DTYSDULYRGWDOK-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606950526 1351383254 /nfs/dbraw/zinc/38/32/54/1351383254.db2.gz ZQXBLYMTHHLAMW-UHFFFAOYSA-N -1 1 327.373 2.238 20 0 EEADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606950526 1351383258 /nfs/dbraw/zinc/38/32/58/1351383258.db2.gz ZQXBLYMTHHLAMW-UHFFFAOYSA-N -1 1 327.373 2.238 20 0 EEADMM O=C(OC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967859 1351386867 /nfs/dbraw/zinc/38/68/67/1351386867.db2.gz QXGPIFXMEOWARN-SWLSCSKDSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1coc(-c2ccccc2)n1 ZINC001606982276 1351391893 /nfs/dbraw/zinc/39/18/93/1351391893.db2.gz KFQNXBHOZMQKKQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1coc(-c2ccccc2)n1 ZINC001606982276 1351391895 /nfs/dbraw/zinc/39/18/95/1351391895.db2.gz KFQNXBHOZMQKKQ-UHFFFAOYSA-N -1 1 348.322 2.274 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001607017035 1351398493 /nfs/dbraw/zinc/39/84/93/1351398493.db2.gz KTHMGINLMDCXEC-GHMZBOCLSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001607017035 1351398496 /nfs/dbraw/zinc/39/84/96/1351398496.db2.gz KTHMGINLMDCXEC-GHMZBOCLSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC(Cc2ccccc2)C1 ZINC001607022206 1351399531 /nfs/dbraw/zinc/39/95/31/1351399531.db2.gz IJUAQWIHWQRYRB-UHFFFAOYSA-N -1 1 337.358 2.321 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC(Cc2ccccc2)C1 ZINC001607022206 1351399532 /nfs/dbraw/zinc/39/95/32/1351399532.db2.gz IJUAQWIHWQRYRB-UHFFFAOYSA-N -1 1 337.358 2.321 20 0 EEADMM O=C1CCC(Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CC1 ZINC001607042843 1351403135 /nfs/dbraw/zinc/40/31/35/1351403135.db2.gz BDNDFPJMFQRWEO-UHFFFAOYSA-N -1 1 329.385 2.002 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001607102262 1351418767 /nfs/dbraw/zinc/41/87/67/1351418767.db2.gz VCYSCUCAPJRANE-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@H]1[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001607102262 1351418770 /nfs/dbraw/zinc/41/87/70/1351418770.db2.gz VCYSCUCAPJRANE-DJLDLDEBSA-N -1 1 340.840 2.106 20 0 EEADMM c1cnc2nc([C@@H]3CCN(c4ccnc(-c5nnn[n-]5)c4)C3)ccc2c1 ZINC001607136212 1351435322 /nfs/dbraw/zinc/43/53/22/1351435322.db2.gz SFVVPYCVJKZKNQ-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM c1cnc2nc([C@@H]3CCN(c4ccnc(-c5nn[n-]n5)c4)C3)ccc2c1 ZINC001607136212 1351435324 /nfs/dbraw/zinc/43/53/24/1351435324.db2.gz SFVVPYCVJKZKNQ-CYBMUJFWSA-N -1 1 344.382 2.199 20 0 EEADMM COc1ccc([C@@H](CO)CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001607224981 1351453004 /nfs/dbraw/zinc/45/30/04/1351453004.db2.gz NLHNYJRKAIICGN-ZYHUDNBSSA-N -1 1 336.413 2.277 20 0 EEADMM COc1cccc(-c2csc(CN3C[C@H](O)C[C@@H](C(=O)[O-])C3)n2)c1 ZINC001607303370 1351468919 /nfs/dbraw/zinc/46/89/19/1351468919.db2.gz UMQDMEYTBHWRLB-CHWSQXEVSA-N -1 1 348.424 2.086 20 0 EEADMM COc1cccc([C@H]2CC(=O)N(CN3CCC[C@@](C)(C(=O)[O-])C3)C2)c1 ZINC001607318894 1351472504 /nfs/dbraw/zinc/47/25/04/1351472504.db2.gz IHISMGVFIPOPTI-HNAYVOBHSA-N -1 1 346.427 2.155 20 0 EEADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC001607493632 1351504735 /nfs/dbraw/zinc/50/47/35/1351504735.db2.gz CHQSYYARVMBWRC-UHFFFAOYSA-N -1 1 343.368 2.176 20 0 EEADMM Cc1ccc(CCCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001607774611 1351556025 /nfs/dbraw/zinc/55/60/25/1351556025.db2.gz HTTALDIEFPUSED-MRXNPFEDSA-N -1 1 329.400 2.243 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3scnc3c2)cc1C(=O)[O-] ZINC001607984986 1351597927 /nfs/dbraw/zinc/59/79/27/1351597927.db2.gz KXQPRZGIBTYZKL-UHFFFAOYSA-N -1 1 349.393 2.499 20 0 EEADMM Cc1oc2ccccc2c1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001608054500 1351615212 /nfs/dbraw/zinc/61/52/12/1351615212.db2.gz MRCCFHMPRZRNAH-LBPRGKRZSA-N -1 1 330.384 2.362 20 0 EEADMM Cn1cc(CN2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001608112018 1351628003 /nfs/dbraw/zinc/62/80/03/1351628003.db2.gz FMBCUWKVBGAVHY-ZDUSSCGKSA-N -1 1 337.420 2.212 20 0 EEADMM O=C([O-])c1cnc(CNCCC(=O)Nc2cc(F)cc(F)c2)s1 ZINC001608310976 1351668477 /nfs/dbraw/zinc/66/84/77/1351668477.db2.gz DRNSNEVHGOKRBB-UHFFFAOYSA-N -1 1 341.339 2.238 20 0 EEADMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(CN2CCCC2)o1 ZINC001608390635 1351684729 /nfs/dbraw/zinc/68/47/29/1351684729.db2.gz AZKPVHDULXSLDV-SNVBAGLBSA-N -1 1 334.294 2.011 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cn[nH]c1-c1ccccn1)C1CCCCC1 ZINC001608420495 1351691166 /nfs/dbraw/zinc/69/11/66/1351691166.db2.gz RHXPNPDQTNONLE-ZDUSSCGKSA-N -1 1 342.399 2.483 20 0 EEADMM Cc1cc(C)n(-c2ccc(NC(=O)CCCc3nn[n-]n3)cc2F)n1 ZINC001625147156 1352441416 /nfs/dbraw/zinc/44/14/16/1352441416.db2.gz UYGAMLXDJXAZEZ-UHFFFAOYSA-N -1 1 343.366 2.103 20 0 EEADMM CC(C)c1n[nH]c(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])n1 ZINC001627675145 1352505489 /nfs/dbraw/zinc/50/54/89/1352505489.db2.gz AZHKQDIPRFQOHQ-UHFFFAOYSA-N -1 1 348.313 2.350 20 0 EEADMM CC(C)c1nc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])n[nH]1 ZINC001627675145 1352505492 /nfs/dbraw/zinc/50/54/92/1352505492.db2.gz AZHKQDIPRFQOHQ-UHFFFAOYSA-N -1 1 348.313 2.350 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc2ccccc2c1O)c1nn[n-]n1 ZINC001629931659 1352560535 /nfs/dbraw/zinc/56/05/35/1352560535.db2.gz NPGPGJRHZZTWBW-ZDUSSCGKSA-N -1 1 343.412 2.283 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1C[C@H](OC)C1(C)C ZINC001647103200 1353142767 /nfs/dbraw/zinc/14/27/67/1353142767.db2.gz MYYRIINLDZZGBU-NEPJUHHUSA-N -1 1 335.372 2.065 20 0 EEADMM COC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001649794012 1353601028 /nfs/dbraw/zinc/60/10/28/1353601028.db2.gz NQQVHGOCPJXDQI-GXSJLCMTSA-N -1 1 335.784 2.099 20 0 EEADMM CCOc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)[nH]n1 ZINC001650957794 1354035290 /nfs/dbraw/zinc/03/52/90/1354035290.db2.gz FIPQSVZQTPFZEJ-UHFFFAOYSA-N -1 1 348.750 2.205 20 0 EEADMM CCn1c(CNC(=O)c2ccc(-n3cccn3)c(F)c2)n[n-]c1=S ZINC000066636739 1354078549 /nfs/dbraw/zinc/07/85/49/1354078549.db2.gz KXMGEBPNTRKGRJ-UHFFFAOYSA-N -1 1 346.391 2.215 20 0 EEADMM C[C@@H](NC(=O)Cc1sc(N)nc1[O-])c1ccc(F)cc1Cl ZINC000080376968 1355256661 /nfs/dbraw/zinc/25/66/61/1355256661.db2.gz YEPMNCXSRAGXDB-LHLIQPBNSA-N -1 1 329.784 2.003 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2nc(Br)ccc2[O-])o1 ZINC000121517874 1357930270 /nfs/dbraw/zinc/93/02/70/1357930270.db2.gz FUAFSUYCTAUFSD-UHFFFAOYSA-N -1 1 341.117 2.182 20 0 EEADMM O=C(CCC1CC1)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001388322311 1387365739 /nfs/dbraw/zinc/36/57/39/1387365739.db2.gz WMZMJBBBHTYKJD-HDJSIYSDSA-N -1 1 331.416 2.135 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001388430430 1387456925 /nfs/dbraw/zinc/45/69/25/1387456925.db2.gz BATSOYPYMUXZKO-GFCCVEGCSA-N -1 1 345.374 2.031 20 0 EEADMM CCc1cc2c(COC(=O)[C@@](C)(O)C3CC3)cc(=O)oc2cc1[O-] ZINC000805578931 1367965748 /nfs/dbraw/zinc/96/57/48/1367965748.db2.gz QEJRVIMJVIZPRX-SFHVURJKSA-N -1 1 332.352 2.265 20 0 EEADMM O=S(=O)([N-]c1cnc(Cl)nc1Cl)c1ccc2n[nH]cc2c1 ZINC001185945556 1368174498 /nfs/dbraw/zinc/17/44/98/1368174498.db2.gz GZBDYIDIXMQHMW-UHFFFAOYSA-N -1 1 344.183 2.461 20 0 EEADMM CCCCCC[C@](C)(CC)C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001151685945 1368300520 /nfs/dbraw/zinc/30/05/20/1368300520.db2.gz SQLUJITYWGTWTN-INIZCTEOSA-N -1 1 325.457 2.103 20 0 EEADMM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)c1ccncc1O ZINC001188637306 1368309941 /nfs/dbraw/zinc/30/99/41/1368309941.db2.gz VULKVYABVPTUCD-UHFFFAOYSA-N -1 1 344.348 2.439 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCO[C@H](COc2ccccc2)C1 ZINC001195306314 1368515805 /nfs/dbraw/zinc/51/58/05/1368515805.db2.gz WOLDPGKIAFWTLK-AWEZNQCLSA-N -1 1 348.786 2.361 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)c2ncc(F)cn2)c1 ZINC001197210231 1368612097 /nfs/dbraw/zinc/61/20/97/1368612097.db2.gz TVLWXKGRONFWNT-UHFFFAOYSA-N -1 1 342.124 2.345 20 0 EEADMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Br)C1 ZINC001201047672 1368778205 /nfs/dbraw/zinc/77/82/05/1368778205.db2.gz FOKFGKFSYRZOEU-OCAPTIKFSA-N -1 1 338.198 2.044 20 0 EEADMM C[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852401697 1369268659 /nfs/dbraw/zinc/26/86/59/1369268659.db2.gz XZHNBDBZRLJKDA-PWSUYJOCSA-N -1 1 347.381 2.418 20 0 EEADMM Cc1ccc2nc(CNC(=O)C3(C(=O)[O-])CCSCC3)[nH]c2c1 ZINC000901610844 1370049890 /nfs/dbraw/zinc/04/98/90/1370049890.db2.gz SRJWZPAUYBLGOP-UHFFFAOYSA-N -1 1 333.413 2.086 20 0 EEADMM CC(C)=C(C)CC(=O)N[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001071952892 1370586882 /nfs/dbraw/zinc/58/68/82/1370586882.db2.gz RZMJIHWQPJSKGD-KGLIPLIRSA-N -1 1 331.416 2.110 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)C(F)(F)F ZINC000830514046 1372330317 /nfs/dbraw/zinc/33/03/17/1372330317.db2.gz BJQUHBUSBWOSPL-IUCAKERBSA-N -1 1 339.326 2.309 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCCCCC(=O)C2)C1 ZINC000830801608 1372351356 /nfs/dbraw/zinc/35/13/56/1372351356.db2.gz MWWOESZSCUMFOG-XHDPSFHLSA-N -1 1 348.365 2.195 20 0 EEADMM Cc1nc2cc(OS(=O)(=O)c3cnc(C(C)C)[n-]3)ccc2n1C ZINC000831643027 1372385218 /nfs/dbraw/zinc/38/52/18/1372385218.db2.gz VCQOMWAFPKVTEK-UHFFFAOYSA-N -1 1 334.401 2.496 20 0 EEADMM Cc1nc2cc(OS(=O)(=O)c3c[n-]c(C(C)C)n3)ccc2n1C ZINC000831643027 1372385222 /nfs/dbraw/zinc/38/52/22/1372385222.db2.gz VCQOMWAFPKVTEK-UHFFFAOYSA-N -1 1 334.401 2.496 20 0 EEADMM CS(=O)(=O)CCc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001362173333 1373374879 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EEADMM Cc1[nH]c2ccccc2c1C(=O)COc1cccnc1-c1nn[n-]n1 ZINC001591789258 1403949452 /nfs/dbraw/zinc/94/94/52/1403949452.db2.gz POYDJRLDYFYUPC-UHFFFAOYSA-N -1 1 334.339 2.313 20 0 EEADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001591788734 1403949763 /nfs/dbraw/zinc/94/97/63/1403949763.db2.gz CNAOXZTWAFWSPN-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001591788734 1403949779 /nfs/dbraw/zinc/94/97/79/1403949779.db2.gz CNAOXZTWAFWSPN-UHFFFAOYSA-N -1 1 342.750 2.285 20 0 EEADMM Cc1cc(N2CCn3nc(C(C)(C)C)cc3C2)cc(-c2nnn[n-]2)n1 ZINC001592009709 1403982249 /nfs/dbraw/zinc/98/22/49/1403982249.db2.gz OUKORRYOQMLAHQ-UHFFFAOYSA-N -1 1 338.419 2.084 20 0 EEADMM Cc1cc(N2CCn3nc(C(C)(C)C)cc3C2)cc(-c2nn[n-]n2)n1 ZINC001592009709 1403982255 /nfs/dbraw/zinc/98/22/55/1403982255.db2.gz OUKORRYOQMLAHQ-UHFFFAOYSA-N -1 1 338.419 2.084 20 0 EEADMM Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c(Cl)n1 ZINC001592129706 1404000307 /nfs/dbraw/zinc/00/03/07/1404000307.db2.gz WGPFBILOQRALDP-UHFFFAOYSA-N -1 1 344.766 2.076 20 0 EEADMM Cc1nsc(NC(=O)c2cccc(C(C)C)n2)c1-c1nnn[n-]1 ZINC001592482086 1404701183 /nfs/dbraw/zinc/70/11/83/1404701183.db2.gz RFNWJVBTGWAWTC-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM Cc1nsc(NC(=O)c2cccc(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592482086 1404701185 /nfs/dbraw/zinc/70/11/85/1404701185.db2.gz RFNWJVBTGWAWTC-UHFFFAOYSA-N -1 1 329.389 2.402 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC001592499019 1404703771 /nfs/dbraw/zinc/70/37/71/1404703771.db2.gz GKMOWCYKIPPSRW-UHFFFAOYSA-N -1 1 348.366 2.448 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC001592499019 1404703777 /nfs/dbraw/zinc/70/37/77/1404703777.db2.gz GKMOWCYKIPPSRW-UHFFFAOYSA-N -1 1 348.366 2.448 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)CC(=O)OC(C)(C)C ZINC001592499498 1404704242 /nfs/dbraw/zinc/70/42/42/1404704242.db2.gz ODGSUUUKZHKOMR-UHFFFAOYSA-N -1 1 349.391 2.008 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)CC(=O)OC(C)(C)C ZINC001592499498 1404704246 /nfs/dbraw/zinc/70/42/46/1404704246.db2.gz ODGSUUUKZHKOMR-UHFFFAOYSA-N -1 1 349.391 2.008 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(-c2cnco2)cc1 ZINC001592915680 1404728709 /nfs/dbraw/zinc/72/87/09/1404728709.db2.gz PXOYSNBIUJBSCD-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc(-c2cnco2)cc1 ZINC001592915680 1404728716 /nfs/dbraw/zinc/72/87/16/1404728716.db2.gz PXOYSNBIUJBSCD-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001593021738 1404732582 /nfs/dbraw/zinc/73/25/82/1404732582.db2.gz PYWVTZMSTVIIBU-UHFFFAOYSA-N -1 1 327.388 2.406 20 0 EEADMM O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nn[n-]n2)o1 ZINC001593021738 1404732585 /nfs/dbraw/zinc/73/25/85/1404732585.db2.gz PYWVTZMSTVIIBU-UHFFFAOYSA-N -1 1 327.388 2.406 20 0 EEADMM O=C(NC[C@@H]1Cc2ccccc21)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593047229 1404739565 /nfs/dbraw/zinc/73/95/65/1404739565.db2.gz IBDOYDWHQXTTCU-LBPRGKRZSA-N -1 1 344.378 2.418 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001606147744 1404769314 /nfs/dbraw/zinc/76/93/14/1404769314.db2.gz OSEMFKCHIVRKKZ-UHFFFAOYSA-N -1 1 336.436 2.494 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001606175432 1404772836 /nfs/dbraw/zinc/77/28/36/1404772836.db2.gz HEVQFEBUBIOLDN-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001606175432 1404772839 /nfs/dbraw/zinc/77/28/39/1404772839.db2.gz HEVQFEBUBIOLDN-UHFFFAOYSA-N -1 1 348.366 2.289 20 0 EEADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(Cc2c(F)ccc(C)c2F)C1 ZINC001606393045 1404806507 /nfs/dbraw/zinc/80/65/07/1404806507.db2.gz GLUGUINGVPXFOH-ZWNOBZJWSA-N -1 1 327.327 2.111 20 0 EEADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000172157874 1405732996 /nfs/dbraw/zinc/73/29/96/1405732996.db2.gz RFAFQFCWIAWTKD-UHFFFAOYSA-N -1 1 345.364 2.093 20 0 EEADMM CC(C)[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)C1CC=CC1 ZINC001756388403 1408404382 /nfs/dbraw/zinc/40/43/82/1408404382.db2.gz IFMNDXITDVZWLS-CQSZACIVSA-N -1 1 331.416 2.014 20 0 EEADMM CCCCCCC(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001756578930 1409086104 /nfs/dbraw/zinc/08/61/04/1409086104.db2.gz XLCLJFQMMSEHQS-ZIAGYGMSSA-N -1 1 333.432 2.477 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(COC)c2)c(C)c1 ZINC001771597470 1409852258 /nfs/dbraw/zinc/85/22/58/1409852258.db2.gz XUSBMMDDUABVHF-UHFFFAOYSA-N -1 1 348.424 2.302 20 0 EEADMM COc1cccc([C@H]2CN(C(=O)c3c(F)ccc([O-])c3F)CCN2)c1 ZINC001772094630 1410041924 /nfs/dbraw/zinc/04/19/24/1410041924.db2.gz DHUCOPFUECIBDP-CQSZACIVSA-N -1 1 348.349 2.466 20 0 EEADMM CCC[C@](C)(NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(=O)[O-] ZINC000780385178 761433428 /nfs/dbraw/zinc/43/34/28/761433428.db2.gz NFJIVLQCMKIOPO-WFASDCNBSA-N -1 1 327.450 2.293 20 0 EEADMM Cc1cnc(C)nc1N[C@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001105175134 769247960 /nfs/dbraw/zinc/24/79/60/769247960.db2.gz WCJYKTPUXUTMKI-CYBMUJFWSA-N -1 1 329.404 2.061 20 0 EEADMM CCn1c(=S)[n-]nc1C1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC000068453094 774563366 /nfs/dbraw/zinc/56/33/66/774563366.db2.gz YAPJMCLJEDZAJN-LLVKDONJSA-N -1 1 338.477 2.482 20 0 EEADMM O=C(CC1CCCCC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088256928 783230441 /nfs/dbraw/zinc/23/04/41/783230441.db2.gz CEQYMHYYIKHFSA-OAHLLOKOSA-N -1 1 349.479 2.342 20 0 EEADMM O=C(N[C@@H]1CCCCN(c2ncc(Cl)cn2)C1)c1ncccc1[O-] ZINC001063185751 790340518 /nfs/dbraw/zinc/34/05/18/790340518.db2.gz PLAOSDRAAWBFIA-GFCCVEGCSA-N -1 1 347.806 2.020 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000981212533 776805757 /nfs/dbraw/zinc/80/57/57/776805757.db2.gz FWGUHPIMZGRVQQ-GXTWGEPZSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2CC[C@H]2CCCC2(F)F)c1[O-] ZINC001038164281 779745935 /nfs/dbraw/zinc/74/59/35/779745935.db2.gz IEAFCCUCYMVFAW-NEPJUHHUSA-N -1 1 342.390 2.053 20 0 EEADMM Cn1cc([C@H]2CN(CC(=O)[N-]OCc3ccccc3)CC2(C)C)cn1 ZINC000846932323 790734525 /nfs/dbraw/zinc/73/45/25/790734525.db2.gz RJSNOHCVNVFCMM-QGZVFWFLSA-N -1 1 342.443 2.094 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)[N-]S(=O)(=O)CCCC(C)(F)F)c2C1 ZINC000893796883 780180092 /nfs/dbraw/zinc/18/00/92/780180092.db2.gz WNJKRJSKSVEVFV-SECBINFHSA-N -1 1 349.403 2.030 20 0 EEADMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccns2)c(=O)[n-]1 ZINC000894072360 780499319 /nfs/dbraw/zinc/49/93/19/780499319.db2.gz PIFYMRKBEXVBSI-UHFFFAOYSA-N -1 1 338.458 2.260 20 0 EEADMM CCn1c(CCNC(=O)COc2ccc3c(c2)CCC3)n[n-]c1=S ZINC000067077235 780533163 /nfs/dbraw/zinc/53/31/63/780533163.db2.gz KHMDWVZZXVARDC-UHFFFAOYSA-N -1 1 346.456 2.187 20 0 EEADMM CCc1ncc(F)c(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167936203 780997848 /nfs/dbraw/zinc/99/78/48/780997848.db2.gz XJWMUGIKCVAXNJ-UHFFFAOYSA-N -1 1 337.291 2.263 20 0 EEADMM Cc1ccc(S(=O)(=O)NCCC(=O)[N-]Oc2ccccc2)cc1C ZINC000816683967 784195950 /nfs/dbraw/zinc/19/59/50/784195950.db2.gz GXPKYZLQZKDAKT-UHFFFAOYSA-N -1 1 348.424 2.082 20 0 EEADMM Cc1nsc(C)c1C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000816777207 784255735 /nfs/dbraw/zinc/25/57/35/784255735.db2.gz VPAKMEZJJYIVDF-JTQLQIEISA-N -1 1 349.378 2.291 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)c1ccco1 ZINC000945759855 784837469 /nfs/dbraw/zinc/83/74/69/784837469.db2.gz TXTARKGJUJZNAA-QWHCGFSZSA-N -1 1 343.383 2.051 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)/C=C(\C)Cl)c2)n1 ZINC000907836621 784900788 /nfs/dbraw/zinc/90/07/88/784900788.db2.gz MYUYVYWVYVGNBN-JXMROGBWSA-N -1 1 348.790 2.407 20 0 EEADMM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000818050207 785191356 /nfs/dbraw/zinc/19/13/56/785191356.db2.gz OKTBFDWULBCYOZ-UHFFFAOYSA-N -1 1 347.820 2.295 20 0 EEADMM O=S(=O)([N-][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(C(F)F)o1 ZINC000908419730 785382261 /nfs/dbraw/zinc/38/22/61/785382261.db2.gz CYMLTQYZXMADGW-GWCFXTLKSA-N -1 1 329.324 2.154 20 0 EEADMM C[C@H](CC(=O)Nc1nc(Br)ccc1[O-])n1cccn1 ZINC000819510239 785581662 /nfs/dbraw/zinc/58/16/62/785581662.db2.gz MKRUXEJDBWWFSE-MRVPVSSYSA-N -1 1 325.166 2.336 20 0 EEADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908712692 785664196 /nfs/dbraw/zinc/66/41/96/785664196.db2.gz JBSOHUOBQOFNLY-CQSZACIVSA-N -1 1 341.205 2.352 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000908752552 785699123 /nfs/dbraw/zinc/69/91/23/785699123.db2.gz KBYCSXDQNDBGMZ-SWLSCSKDSA-N -1 1 339.411 2.323 20 0 EEADMM O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819967833 785723241 /nfs/dbraw/zinc/72/32/41/785723241.db2.gz NXONNCGSEIKZRA-VIFPVBQESA-N -1 1 342.277 2.209 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N(CC(=O)[O-])C1CCC1)c1ccco1 ZINC000908876636 785815182 /nfs/dbraw/zinc/81/51/82/785815182.db2.gz YIODQQKDGGRSJC-CQSZACIVSA-N -1 1 337.420 2.311 20 0 EEADMM O=C([O-])[C@]1(NC(=O)c2[nH]nc3c2CCCCC3)CCc2ccccc21 ZINC000908976562 785894661 /nfs/dbraw/zinc/89/46/61/785894661.db2.gz DCLQZJWJFDTHKI-IBGZPJMESA-N -1 1 339.395 2.335 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000820616631 785990985 /nfs/dbraw/zinc/99/09/85/785990985.db2.gz UJVZIHKSPFTFSI-ATJHTGJJSA-N -1 1 326.414 2.302 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCCc1c[nH]nn1 ZINC000910101058 786448861 /nfs/dbraw/zinc/44/88/61/786448861.db2.gz XSKSJGCPHIQKCM-HOTGVXAUSA-N -1 1 342.399 2.334 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C[C@@H]2CCOC2)c1 ZINC000820888757 786515312 /nfs/dbraw/zinc/51/53/12/786515312.db2.gz DGQMUDDYOQPPSV-UTWWPYJBSA-N -1 1 326.414 2.161 20 0 EEADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000910251431 786581361 /nfs/dbraw/zinc/58/13/61/786581361.db2.gz SMPJSYLXJWWSJB-HOCLYGCPSA-N -1 1 348.443 2.401 20 0 EEADMM CCCCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821073189 786587072 /nfs/dbraw/zinc/58/70/72/786587072.db2.gz YAPJTBVTINPQNP-ZIAGYGMSSA-N -1 1 345.403 2.402 20 0 EEADMM CCCCO[C@@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821073189 786587096 /nfs/dbraw/zinc/58/70/96/786587096.db2.gz YAPJTBVTINPQNP-ZIAGYGMSSA-N -1 1 345.403 2.402 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3C4CCC3(C(=O)[O-])CC4)n[nH]2)c1 ZINC000910299254 786625553 /nfs/dbraw/zinc/62/55/53/786625553.db2.gz ZLCQOVUPEBOXBF-UHFFFAOYSA-N -1 1 341.367 2.307 20 0 EEADMM CCSc1ccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000910409988 786739387 /nfs/dbraw/zinc/73/93/87/786739387.db2.gz YVWXXLZXTFWLGP-AWEZNQCLSA-N -1 1 336.457 2.211 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)[C@@H]3CCCCN3Cc3ccccc3)C[C@@H]21 ZINC000910848889 787069593 /nfs/dbraw/zinc/06/95/93/787069593.db2.gz JGIVFIZNEFWIEM-VSZNYVQBSA-N -1 1 342.439 2.220 20 0 EEADMM CCN(CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000911060691 787223205 /nfs/dbraw/zinc/22/32/05/787223205.db2.gz FVJFGPRZVYGQBT-CQSZACIVSA-N -1 1 344.333 2.432 20 0 EEADMM O=C([O-])c1ccnc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000911105571 787245844 /nfs/dbraw/zinc/24/58/44/787245844.db2.gz ASBKTMBJEJHLNA-CQSZACIVSA-N -1 1 345.424 2.408 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)CC2(CC(=O)[O-])CCCC2)C[C@H](C)O1 ZINC000911150218 787271443 /nfs/dbraw/zinc/27/14/43/787271443.db2.gz HNLGKSPTEWRQNO-GASCZTMLSA-N -1 1 340.464 2.027 20 0 EEADMM CCN1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1scnc1Cl ZINC000911280016 787350443 /nfs/dbraw/zinc/35/04/43/787350443.db2.gz NZZBVKHLCCWIGP-JTQLQIEISA-N -1 1 345.852 2.198 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)C4(C(=O)[O-])CC4)C3)[nH]c2c1 ZINC000911326457 787379087 /nfs/dbraw/zinc/37/90/87/787379087.db2.gz CUEJPUNFVVELDW-LBPRGKRZSA-N -1 1 327.384 2.442 20 0 EEADMM COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000822971410 787491988 /nfs/dbraw/zinc/49/19/88/787491988.db2.gz CUJSYWFLWRJGHL-NSHDSACASA-N -1 1 346.330 2.149 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)C=Cc2cc(C(=O)[O-])co2)CC1 ZINC000911591397 787577798 /nfs/dbraw/zinc/57/77/98/787577798.db2.gz RRYYFQNBTZIBMH-NSCUHMNNSA-N -1 1 329.356 2.429 20 0 EEADMM Cc1cccc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)c1 ZINC001062445849 788091924 /nfs/dbraw/zinc/09/19/24/788091924.db2.gz ZUNMHUPDJCOMSX-UHFFFAOYSA-N -1 1 339.395 2.178 20 0 EEADMM Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c(C)cccc2C)c1[O-] ZINC001032355882 788205904 /nfs/dbraw/zinc/20/59/04/788205904.db2.gz JTHGKXPDDJEQED-GJZGRUSLSA-N -1 1 340.427 2.139 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(N2CCCC2)c1 ZINC000824657590 788259205 /nfs/dbraw/zinc/25/92/05/788259205.db2.gz ROHDYLFEQLAADP-GFCCVEGCSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(N2CCCC2)c1 ZINC000824657590 788259212 /nfs/dbraw/zinc/25/92/12/788259212.db2.gz ROHDYLFEQLAADP-GFCCVEGCSA-N -1 1 336.403 2.430 20 0 EEADMM COc1ccc([C@@H](C)CC(=O)N[C@@H](CCSC)c2nn[n-]n2)cc1 ZINC000912861054 788420461 /nfs/dbraw/zinc/42/04/61/788420461.db2.gz BRIIYXGMGZUKDW-FZMZJTMJSA-N -1 1 349.460 2.313 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C2(C)CCCCC2)C1 ZINC001005954324 789001103 /nfs/dbraw/zinc/00/11/03/789001103.db2.gz YHKFBBOHSBBRPM-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CN(CC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)[C@H]1CCSC1 ZINC000923170134 789047286 /nfs/dbraw/zinc/04/72/86/789047286.db2.gz LBIZSEVPUHBNAV-LSDHHAIUSA-N -1 1 342.505 2.211 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(CO)c(F)c2)cc1N ZINC001214031242 789229483 /nfs/dbraw/zinc/22/94/83/789229483.db2.gz BHUZXKRWAGCDFW-UHFFFAOYSA-N -1 1 328.340 2.149 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCc2cccc(OCC(C)C)c2)n1 ZINC000056957595 789522554 /nfs/dbraw/zinc/52/25/54/789522554.db2.gz OXRSKOPZJWNTEO-UHFFFAOYSA-N -1 1 345.403 2.346 20 0 EEADMM O=C(NC1CN(CCc2c(F)cccc2Cl)C1)c1ncccc1[O-] ZINC001030243688 789874944 /nfs/dbraw/zinc/87/49/44/789874944.db2.gz MGTRVWWEIBFZHK-UHFFFAOYSA-N -1 1 349.793 2.236 20 0 EEADMM O=C(NC1(CNC(=O)c2ncccc2[O-])CCC1)c1ccoc1Cl ZINC001062839227 789938582 /nfs/dbraw/zinc/93/85/82/789938582.db2.gz IRZFFYYBWGCUPJ-UHFFFAOYSA-N -1 1 349.774 2.116 20 0 EEADMM CC(C)(CC(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1)C1CC1 ZINC001062839593 789938969 /nfs/dbraw/zinc/93/89/69/789938969.db2.gz WYBAYUXCBRSPHI-UHFFFAOYSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(NCC1(NC(=O)C2CC3(CCC3)C2)CCC1)c1ncccc1[O-] ZINC001062839820 789939697 /nfs/dbraw/zinc/93/96/97/789939697.db2.gz HBZAFVYPUBHKBB-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM COc1cc(N2CCN(Cc3sccc3C(=O)[O-])CC2)ccn1 ZINC001144684703 790035282 /nfs/dbraw/zinc/03/52/82/790035282.db2.gz MVQCMYLMZNPWDY-UHFFFAOYSA-N -1 1 333.413 2.172 20 0 EEADMM Cc1csc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)c1 ZINC001062939261 790037239 /nfs/dbraw/zinc/03/72/39/790037239.db2.gz YALOPSUOSFUANW-UHFFFAOYSA-N -1 1 345.424 2.240 20 0 EEADMM Cc1ccoc1C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC000946194381 790055614 /nfs/dbraw/zinc/05/56/14/790055614.db2.gz MHPAPJCRMVMQGF-CHWSQXEVSA-N -1 1 343.383 2.017 20 0 EEADMM Cc1coc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])c1 ZINC000946196781 790060504 /nfs/dbraw/zinc/06/05/04/790060504.db2.gz ULTAHZRDBIXDJW-CHWSQXEVSA-N -1 1 343.383 2.017 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000946198282 790065399 /nfs/dbraw/zinc/06/53/99/790065399.db2.gz ZUUCXKSDKJQNCA-HUUCEWRRSA-N -1 1 339.395 2.116 20 0 EEADMM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846226708 790094722 /nfs/dbraw/zinc/09/47/22/790094722.db2.gz ACWXYGMGNGZSSC-SKDRFNHKSA-N -1 1 332.169 2.028 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000062295148 791535631 /nfs/dbraw/zinc/53/56/31/791535631.db2.gz WBJYOQKSSTUMOE-UHFFFAOYSA-N -1 1 327.402 2.220 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)c1ccc(C)nc1)c1ccccc1N ZINC001147168609 791724355 /nfs/dbraw/zinc/72/43/55/791724355.db2.gz NRMCOYJMMIOGRV-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)c1ccc(C)nc1)c1ccccc1N ZINC001147168609 791724357 /nfs/dbraw/zinc/72/43/57/791724357.db2.gz NRMCOYJMMIOGRV-UHFFFAOYSA-N -1 1 344.396 2.260 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ccc(C3(C)COC3)cc2)c1[O-] ZINC001147843086 792000241 /nfs/dbraw/zinc/00/02/41/792000241.db2.gz RODDEGOACUDVGI-UHFFFAOYSA-N -1 1 328.368 2.128 20 0 EEADMM Cc1ncc(CO)c(C(=O)Nc2ccc3ncnc(Cl)c3c2)c1[O-] ZINC001147842522 792000778 /nfs/dbraw/zinc/00/07/78/792000778.db2.gz BROGAINFIGSGTF-UHFFFAOYSA-N -1 1 344.758 2.437 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@H](CCN2c2cccc(F)n2)C1 ZINC001064013602 792242797 /nfs/dbraw/zinc/24/27/97/792242797.db2.gz NZOYVEXUXNPWES-OLZOCXBDSA-N -1 1 342.374 2.062 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001148299065 792308855 /nfs/dbraw/zinc/30/88/55/792308855.db2.gz DGUXEONOJUHGTO-UHFFFAOYSA-N -1 1 329.316 2.101 20 0 EEADMM Cc1nsc(NC[C@@H]2CCCC[C@@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064171593 792591024 /nfs/dbraw/zinc/59/10/24/792591024.db2.gz OOPCBIHOFWWLKU-RYUDHWBXSA-N -1 1 347.444 2.348 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(=O)NC2(CCCC2)C1 ZINC001148801177 792714518 /nfs/dbraw/zinc/71/45/18/792714518.db2.gz UVVBIMICTIZNTM-UHFFFAOYSA-N -1 1 342.317 2.296 20 0 EEADMM CCc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000010623812 792833034 /nfs/dbraw/zinc/83/30/34/792833034.db2.gz DJJMEIKAMVUYRQ-UHFFFAOYSA-N -1 1 348.786 2.448 20 0 EEADMM CN(Cc1cncs1)C[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001089164487 793013917 /nfs/dbraw/zinc/01/39/17/793013917.db2.gz VXAVJSHJKYWFCO-ZDUSSCGKSA-N -1 1 346.456 2.370 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC000992313122 793633840 /nfs/dbraw/zinc/63/38/40/793633840.db2.gz KWHIPKJFANWCOK-RUXDESIVSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1cnc(C)nc1N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001064767083 793695564 /nfs/dbraw/zinc/69/55/64/793695564.db2.gz UOYPEYKDVNZASJ-JSGCOSHPSA-N -1 1 341.415 2.299 20 0 EEADMM CCc1nsc(N[C@@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089272074 793923862 /nfs/dbraw/zinc/92/38/62/793923862.db2.gz MZBLCYSJUTWCPW-ZJUUUORDSA-N -1 1 335.433 2.210 20 0 EEADMM CCc1cc(C)nc(N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001089273404 793932255 /nfs/dbraw/zinc/93/22/55/793932255.db2.gz WXKJJAPQRVIFMC-RYUDHWBXSA-N -1 1 343.431 2.457 20 0 EEADMM O=C(COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[N-]C(=O)c1ccccc1 ZINC000029944544 794033458 /nfs/dbraw/zinc/03/34/58/794033458.db2.gz MYJKTZKSEVJQAD-HOTGVXAUSA-N -1 1 341.338 2.429 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000913655512 794034805 /nfs/dbraw/zinc/03/48/05/794034805.db2.gz SVMMCGUQGHSAKP-HZPDHXFCSA-N -1 1 339.395 2.398 20 0 EEADMM COc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)ccc1OC(C)C ZINC000913742002 794200299 /nfs/dbraw/zinc/20/02/99/794200299.db2.gz APLINPZNOUXNAK-UHFFFAOYSA-N -1 1 345.403 2.015 20 0 EEADMM O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743074 794204856 /nfs/dbraw/zinc/20/48/56/794204856.db2.gz DLENZMWZOABABR-MNOVXSKESA-N -1 1 331.342 2.274 20 0 EEADMM Cc1cccc(OCCCCC(=O)N2CCC(c3nn[n-]n3)CC2)c1 ZINC000913743474 794205238 /nfs/dbraw/zinc/20/52/38/794205238.db2.gz XMMFDVCHNNCEKL-UHFFFAOYSA-N -1 1 343.431 2.463 20 0 EEADMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000921685885 794729656 /nfs/dbraw/zinc/72/96/56/794729656.db2.gz YPUCRPKYEAWEGL-SECBINFHSA-N -1 1 327.233 2.218 20 0 EEADMM CC[C@H](C)CCC(=O)N1CC(N(CC)C(=O)c2ncccc2[O-])C1 ZINC001079654642 795058100 /nfs/dbraw/zinc/05/81/00/795058100.db2.gz WUNWTKJXCUEOEH-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)=CCN1CC(OC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC001093529813 795316431 /nfs/dbraw/zinc/31/64/31/795316431.db2.gz KSHVOHUTSAZGNL-UHFFFAOYSA-N -1 1 345.443 2.059 20 0 EEADMM C[C@@H](CCNc1ccnc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001106296120 795359817 /nfs/dbraw/zinc/35/98/17/795359817.db2.gz HTPPSWWETGIZFW-NSHDSACASA-N -1 1 327.388 2.075 20 0 EEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)cs1 ZINC000993213993 796006483 /nfs/dbraw/zinc/00/64/83/796006483.db2.gz KEOXDNUEILSVQH-RISCZKNCSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1cnc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C)s1 ZINC000993251514 796173372 /nfs/dbraw/zinc/17/33/72/796173372.db2.gz SIIVEIYIGKPNCM-STQMWFEESA-N -1 1 346.456 2.335 20 0 EEADMM O=C(NC1CN(CC2CCCCCC2)C1)c1ccc2oc(=O)nc-2[n-]1 ZINC001031251660 796444021 /nfs/dbraw/zinc/44/40/21/796444021.db2.gz UISPNJPYDPFZRE-UHFFFAOYSA-N -1 1 344.415 2.313 20 0 EEADMM CN(CCCF)C(=O)c1ccc(I)c([O-])c1 ZINC000716736363 796449207 /nfs/dbraw/zinc/44/92/07/796449207.db2.gz RRYVBUPLDWUUQJ-UHFFFAOYSA-N -1 1 337.132 2.428 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001002189794 797672894 /nfs/dbraw/zinc/67/28/94/797672894.db2.gz UPDDGWVQRMEDDF-RQJABVFESA-N -1 1 343.427 2.085 20 0 EEADMM CN(C)C(=O)c1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001174004431 797677391 /nfs/dbraw/zinc/67/73/91/797677391.db2.gz JKTMGXZYTIYFME-UHFFFAOYSA-N -1 1 330.348 2.092 20 0 EEADMM CC(=O)NCc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001174233045 797719625 /nfs/dbraw/zinc/71/96/25/797719625.db2.gz BAPIFEGIYVCYLD-UHFFFAOYSA-N -1 1 334.397 2.175 20 0 EEADMM CCOC(=O)c1nnsc1[N-]c1ccc(C(=O)OC)c(OC)c1 ZINC001174428482 797758479 /nfs/dbraw/zinc/75/84/79/797758479.db2.gz WFXKBDSQIGCGRH-UHFFFAOYSA-N -1 1 337.357 2.254 20 0 EEADMM CCS(=O)(=O)c1ccc(Nc2cc(=O)[n-]c(SC)n2)cc1 ZINC001174464900 797776999 /nfs/dbraw/zinc/77/69/99/797776999.db2.gz ODSMULXAYNZZBM-UHFFFAOYSA-N -1 1 325.415 2.441 20 0 EEADMM CSc1nc(NC(=O)c2ccn3c2nc(C)cc3C)cc(=O)[n-]1 ZINC001175113895 797986040 /nfs/dbraw/zinc/98/60/40/797986040.db2.gz NLXDPAORYUYSBX-UHFFFAOYSA-N -1 1 329.385 2.421 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ncccc2[O-])co1 ZINC001002410327 798028183 /nfs/dbraw/zinc/02/81/83/798028183.db2.gz GLYJRWGCEQZIHG-AWEZNQCLSA-N -1 1 343.383 2.065 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001002410914 798028873 /nfs/dbraw/zinc/02/88/73/798028873.db2.gz IKZYGYZLPPSERP-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1 ZINC001175631364 798172252 /nfs/dbraw/zinc/17/22/52/798172252.db2.gz LJWKMKBHBDNWAN-UHFFFAOYSA-N -1 1 333.413 2.128 20 0 EEADMM CCO[C@@H](CC)C(=O)N[N-]C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 ZINC000154358142 798173603 /nfs/dbraw/zinc/17/36/03/798173603.db2.gz BVSOHRLVLGNNGI-INIZCTEOSA-N -1 1 344.415 2.270 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)NCC2CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001002664880 798417110 /nfs/dbraw/zinc/41/71/10/798417110.db2.gz ONIKDMLZHIDJHT-CQSZACIVSA-N -1 1 345.443 2.192 20 0 EEADMM CCC=C(C(=O)NCCO)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC001177417506 798934698 /nfs/dbraw/zinc/93/46/98/798934698.db2.gz MLZKJYDWKRLZGQ-POHAHGRESA-N -1 1 341.433 2.392 20 0 EEADMM CN(C)c1nc(NC(=O)C(C)(C)Cc2ccccn2)c(N=O)c(=O)[n-]1 ZINC001178182255 799325435 /nfs/dbraw/zinc/32/54/35/799325435.db2.gz SCJLNZZZWGBTLZ-UHFFFAOYSA-N -1 1 344.375 2.249 20 0 EEADMM Cc1cnc(C)nc1N[C@@H](C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001065702012 799394359 /nfs/dbraw/zinc/39/43/59/799394359.db2.gz YHXCAWXVVBUNSP-GXTWGEPZSA-N -1 1 341.415 2.157 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1ncc(Cl)cn1 ZINC001065838937 799617600 /nfs/dbraw/zinc/61/76/00/799617600.db2.gz NEUDJAPPTLDXHW-MNOVXSKESA-N -1 1 347.806 2.051 20 0 EEADMM CC(C)=CCC[C@H](C)CC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001179582221 800016044 /nfs/dbraw/zinc/01/60/44/800016044.db2.gz NJSFWOWZTKASJP-KKUMJFAQSA-N -1 1 349.479 2.362 20 0 EEADMM C[C@@](O)(CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)C(F)(F)F ZINC001179804165 800110820 /nfs/dbraw/zinc/11/08/20/800110820.db2.gz ISNAUGDCCDHPFW-CYBMUJFWSA-N -1 1 329.278 2.220 20 0 EEADMM Cc1ccccc1O[C@H](C)C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001180518512 800448858 /nfs/dbraw/zinc/44/88/58/800448858.db2.gz QLQMPYVUEMDDCS-SNVBAGLBSA-N -1 1 345.359 2.361 20 0 EEADMM COc1cccc(CN2CC[C@H]2CN(C)C(=O)c2ncccc2[O-])c1 ZINC001085562354 800788499 /nfs/dbraw/zinc/78/84/99/800788499.db2.gz JMFXNNNPHAUJSC-HNNXBMFYSA-N -1 1 341.411 2.142 20 0 EEADMM C[C@@H](C(=O)NC1CCC(N(C)C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001004077281 800922029 /nfs/dbraw/zinc/92/20/29/800922029.db2.gz SKFBCQMVTJYQQN-LRVUVFPRSA-N -1 1 345.443 2.333 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033037546 801024198 /nfs/dbraw/zinc/02/41/98/801024198.db2.gz ZMZSLENWMGILTG-OAHLLOKOSA-N -1 1 343.402 2.315 20 0 EEADMM CCOC(=O)C(F)(F)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC001182890788 801388234 /nfs/dbraw/zinc/38/82/34/801388234.db2.gz HFVOHYSQQKRMKR-UHFFFAOYSA-N -1 1 325.233 2.232 20 0 EEADMM O=C(COC(=O)[C@H]1CCCN1C1CCCC1)[N-]OCc1ccccc1 ZINC000786890307 806930122 /nfs/dbraw/zinc/93/01/22/806930122.db2.gz LCWIWXNTUZJFKM-QGZVFWFLSA-N -1 1 346.427 2.185 20 0 EEADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)[C@@H](O)Cc1cccc(F)c1 ZINC001184144911 801891325 /nfs/dbraw/zinc/89/13/25/801891325.db2.gz QKUQTDBODXHRQH-HNNXBMFYSA-N -1 1 341.342 2.259 20 0 EEADMM CC(C)OC(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001184522484 802053205 /nfs/dbraw/zinc/05/32/05/802053205.db2.gz NOEPLRBXFPUVPI-UHFFFAOYSA-N -1 1 340.228 2.364 20 0 EEADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(Cl)nc2)c(F)c1 ZINC001185047672 802322116 /nfs/dbraw/zinc/32/21/16/802322116.db2.gz QOHDCULXCHXYQV-UHFFFAOYSA-N -1 1 329.740 2.273 20 0 EEADMM CC(C)(C[N-]S(=O)(=O)c1cnc(Cl)nc1)CC(F)(F)F ZINC001185077065 802340514 /nfs/dbraw/zinc/34/05/14/802340514.db2.gz ZOMWHSNQTXIWNT-UHFFFAOYSA-N -1 1 331.747 2.387 20 0 EEADMM C[C@H]1CCN(C(=O)C2(C)CCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004752012 802768024 /nfs/dbraw/zinc/76/80/24/802768024.db2.gz FDABIMRJPZYDLG-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001004762742 802825646 /nfs/dbraw/zinc/82/56/46/802825646.db2.gz AOCAIYYAPFGTKG-HIFRSBDPSA-N -1 1 347.463 2.260 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CCCCC2CCOCC2)CC1 ZINC001112782388 807227621 /nfs/dbraw/zinc/22/76/21/807227621.db2.gz QOYPVDWKOCJVLK-UHFFFAOYSA-N -1 1 347.459 2.142 20 0 EEADMM Cc1cc(NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])nc(C)n1 ZINC001113416443 808946718 /nfs/dbraw/zinc/94/67/18/808946718.db2.gz PBDMFEAHUJAIHI-UHFFFAOYSA-N -1 1 343.431 2.404 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)ccnc1-2 ZINC000791165337 809098405 /nfs/dbraw/zinc/09/84/05/809098405.db2.gz PEMDCHFIUZYAKD-VHSXEESVSA-N -1 1 328.322 2.362 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Cc3coc(-c4cccs4)n3)ccnc1-2 ZINC000791286569 809173677 /nfs/dbraw/zinc/17/36/77/809173677.db2.gz PFCRBVRMERLGIU-UHFFFAOYSA-N -1 1 339.380 2.240 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nc2cc(F)ccc2o1 ZINC001113575425 809273700 /nfs/dbraw/zinc/27/37/00/809273700.db2.gz VDWZBOMOGDSJJK-SNVBAGLBSA-N -1 1 344.346 2.322 20 0 EEADMM O=C([N-]c1nc2ccccn2n1)c1nc(Br)ccc1F ZINC000791687686 809366794 /nfs/dbraw/zinc/36/67/94/809366794.db2.gz AYJADZIIQUNRDB-UHFFFAOYSA-N -1 1 336.124 2.278 20 0 EEADMM Cc1c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cncc1-c1ccncc1 ZINC001170221001 809822561 /nfs/dbraw/zinc/82/25/61/809822561.db2.gz ZYIGEJXKDPEZOP-UHFFFAOYSA-N -1 1 335.327 2.225 20 0 EEADMM CCOC(=O)c1c(Cl)ccnc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229854 809846796 /nfs/dbraw/zinc/84/67/96/809846796.db2.gz GCDUSUSVISGCLM-UHFFFAOYSA-N -1 1 334.723 2.027 20 0 EEADMM COCCCO[N-]C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000805045460 811124809 /nfs/dbraw/zinc/12/48/09/811124809.db2.gz PZFLSKBWEVYBTD-VIFPVBQESA-N -1 1 337.342 2.250 20 0 EEADMM C[C@@H](OC(=O)c1ccc(Br)c([O-])c1)c1nncn1C ZINC000805511946 811325579 /nfs/dbraw/zinc/32/55/79/811325579.db2.gz YBBPSPQHGXXRCU-SSDOTTSWSA-N -1 1 326.150 2.201 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)N(Cc1ccccc1)c1ccccc1 ZINC000805604676 811371614 /nfs/dbraw/zinc/37/16/14/811371614.db2.gz PDJDFWKXQJLHMK-UHFFFAOYSA-N -1 1 336.351 2.195 20 0 EEADMM COCCOc1ccc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806490057 811878857 /nfs/dbraw/zinc/87/88/57/811878857.db2.gz MTVGIYLUGZEAMY-UHFFFAOYSA-N -1 1 341.371 2.011 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)ccnc1-2 ZINC000806488065 811897381 /nfs/dbraw/zinc/89/73/81/811897381.db2.gz JNKUBOAZZGSIGJ-WFASDCNBSA-N -1 1 345.447 2.305 20 0 EEADMM COc1ccc(F)cc1[C@H](C)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806489446 811897901 /nfs/dbraw/zinc/89/79/01/811897901.db2.gz SDKUCCVSMALXSB-JTQLQIEISA-N -1 1 343.362 2.372 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)OCc3ncc(C)cn3)n2)cc1 ZINC000808548173 812715282 /nfs/dbraw/zinc/71/52/82/812715282.db2.gz ZCUMLMUXYLUUKI-UHFFFAOYSA-N -1 1 340.339 2.042 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)N[C@@H](C)CC(=O)[O-])CC2)cc1 ZINC001611177161 970923919 /nfs/dbraw/zinc/92/39/19/970923919.db2.gz CEDZPHVOGCJFAC-HNNXBMFYSA-N -1 1 333.432 2.076 20 0 EEADMM O=C([O-])C=Cc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1 ZINC000324437723 971120594 /nfs/dbraw/zinc/12/05/94/971120594.db2.gz DNPCGBMESDFMER-TWGQIWQCSA-N -1 1 343.364 2.462 20 0 EEADMM CC(=CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC001573361650 947693683 /nfs/dbraw/zinc/69/36/83/947693683.db2.gz DFWHLCMFWLUJGD-XFFZJAGNSA-N -1 1 338.346 2.121 20 0 EEADMM CC(=CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC001573361650 947693693 /nfs/dbraw/zinc/69/36/93/947693693.db2.gz DFWHLCMFWLUJGD-XFFZJAGNSA-N -1 1 338.346 2.121 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1-c1nnn[n-]1 ZINC000826346315 948037849 /nfs/dbraw/zinc/03/78/49/948037849.db2.gz JINQLALKPUHNGZ-RAIGVLPGSA-N -1 1 346.435 2.283 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826346315 948037857 /nfs/dbraw/zinc/03/78/57/948037857.db2.gz JINQLALKPUHNGZ-RAIGVLPGSA-N -1 1 346.435 2.283 20 0 EEADMM O=C(CCCc1ccsc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826406735 948237611 /nfs/dbraw/zinc/23/76/11/948237611.db2.gz KKMGGEYRKGERAJ-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(CCCc1ccsc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826406735 948237620 /nfs/dbraw/zinc/23/76/20/948237620.db2.gz KKMGGEYRKGERAJ-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM C[C@@H](Cc1cccs1)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001570928823 948744471 /nfs/dbraw/zinc/74/44/71/948744471.db2.gz VNETVFBYXBMDMJ-VIFPVBQESA-N -1 1 329.389 2.076 20 0 EEADMM C[C@@H](Cc1cccs1)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001570928823 948744479 /nfs/dbraw/zinc/74/44/79/948744479.db2.gz VNETVFBYXBMDMJ-VIFPVBQESA-N -1 1 329.389 2.076 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(C)(C)C(C)(C)C ZINC001570930575 948817293 /nfs/dbraw/zinc/81/72/93/948817293.db2.gz MNKVBYVOEYXRTJ-UHFFFAOYSA-N -1 1 332.408 2.078 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001570934875 948957056 /nfs/dbraw/zinc/95/70/56/948957056.db2.gz IXNPZRBFRRKFIL-OLZOCXBDSA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001570934875 948957064 /nfs/dbraw/zinc/95/70/64/948957064.db2.gz IXNPZRBFRRKFIL-OLZOCXBDSA-N -1 1 339.334 2.078 20 0 EEADMM CSCC[C@@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001570941158 949207547 /nfs/dbraw/zinc/20/75/47/949207547.db2.gz BGLKFPXCPQDNAI-SECBINFHSA-N -1 1 340.478 2.211 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC=Cc2ccc(F)cc2)nn1C ZINC001570941385 949221208 /nfs/dbraw/zinc/22/12/08/949221208.db2.gz USXISGWFXYCYRI-ONEGZZNKSA-N -1 1 341.350 2.090 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC=Cc2ccc(F)cc2)nn1C ZINC001570941385 949221234 /nfs/dbraw/zinc/22/12/34/949221234.db2.gz USXISGWFXYCYRI-ONEGZZNKSA-N -1 1 341.350 2.090 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001570947444 949570569 /nfs/dbraw/zinc/57/05/69/949570569.db2.gz ZRNBQHJKJMIVGK-RISCZKNCSA-N -1 1 343.778 2.252 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001570947444 949570586 /nfs/dbraw/zinc/57/05/86/949570586.db2.gz ZRNBQHJKJMIVGK-RISCZKNCSA-N -1 1 343.778 2.252 20 0 EEADMM CC(C)C[C@H](CNC(=O)N1CCN(C(C)(C)C)CC1)CC(=O)[O-] ZINC000321097047 951011326 /nfs/dbraw/zinc/01/13/26/951011326.db2.gz OJLDRHCNBMJKJB-AWEZNQCLSA-N -1 1 327.469 2.249 20 0 EEADMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(Cl)c2O)CO1 ZINC001595003590 951168437 /nfs/dbraw/zinc/16/84/37/951168437.db2.gz FOSHARJNFRGSAZ-VXNVDRBHSA-N -1 1 331.727 2.393 20 0 EEADMM CCOc1ccccc1-c1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)n[nH]1 ZINC001592993081 951379268 /nfs/dbraw/zinc/37/92/68/951379268.db2.gz FWHOJGDYKCHAGL-SFHVURJKSA-N -1 1 343.383 2.412 20 0 EEADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)Oc1ccc(Cl)cc1 ZINC001575166792 952330217 /nfs/dbraw/zinc/33/02/17/952330217.db2.gz ZIPBXPWCTNAQDX-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)Oc1ccc(Cl)cc1 ZINC001575166792 952330223 /nfs/dbraw/zinc/33/02/23/952330223.db2.gz ZIPBXPWCTNAQDX-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185956 952436346 /nfs/dbraw/zinc/43/63/46/952436346.db2.gz WZYZDFVAZQZYIB-SSDOTTSWSA-N -1 1 346.338 2.114 20 0 EEADMM C[C@H](CSC(F)(F)F)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185956 952436350 /nfs/dbraw/zinc/43/63/50/952436350.db2.gz WZYZDFVAZQZYIB-SSDOTTSWSA-N -1 1 346.338 2.114 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccsc1 ZINC001593694019 954058456 /nfs/dbraw/zinc/05/84/56/954058456.db2.gz UKAUEOZDAGKYGJ-CYBMUJFWSA-N -1 1 334.401 2.266 20 0 EEADMM O=C([O-])C1CCC(O)(CNCc2coc(-c3cccs3)n2)CC1 ZINC001594916764 954760239 /nfs/dbraw/zinc/76/02/39/954760239.db2.gz UOJXZGSGASNYQR-UHFFFAOYSA-N -1 1 336.413 2.499 20 0 EEADMM Cn1nc(C(=O)[O-])cc1CN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001594571799 955891384 /nfs/dbraw/zinc/89/13/84/955891384.db2.gz KZOPFUAHXTVACX-QZTJIDSGSA-N -1 1 343.427 2.076 20 0 EEADMM Cn1ncc(C(=O)[O-])c1CNC[C@@H](OC1CCCC1)C(F)(F)F ZINC001594580450 955959838 /nfs/dbraw/zinc/95/98/38/955959838.db2.gz UQLQXRJZPPIROC-GFCCVEGCSA-N -1 1 335.326 2.098 20 0 EEADMM C[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1-n1cccn1 ZINC001589128155 956176562 /nfs/dbraw/zinc/17/65/62/956176562.db2.gz AHFARGYMLLFBLE-GFCCVEGCSA-N -1 1 325.372 2.155 20 0 EEADMM CN(C)Cc1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1F ZINC000901931484 956550714 /nfs/dbraw/zinc/55/07/14/956550714.db2.gz MDGNVOHQFZBQMW-JSGCOSHPSA-N -1 1 338.379 2.096 20 0 EEADMM Nc1cc(CCCCNC(=O)c2coc(/C=C/C(=O)[O-])c2)ccn1 ZINC001594663570 956554793 /nfs/dbraw/zinc/55/47/93/956554793.db2.gz LDKWNOQFIHIIHO-SNAWJCMRSA-N -1 1 329.356 2.107 20 0 EEADMM CCN(CC)[C@@H](C(=O)N1CC[C@](COC)(C(=O)[O-])C1)c1ccccc1 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20 0 EEADMM C[C@@H]1CN(Cc2nc(Cc3ccc(F)cc3)no2)C[C@H]1CC(=O)[O-] ZINC001571211057 962450316 /nfs/dbraw/zinc/45/03/16/962450316.db2.gz UUIABSJJVKMFEZ-DGCLKSJQSA-N -1 1 333.363 2.342 20 0 EEADMM CC(C)[C@H](NCC(=O)NCc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001588960532 962613470 /nfs/dbraw/zinc/61/34/70/962613470.db2.gz CPHJASACFXLIKJ-SFHVURJKSA-N -1 1 348.443 2.323 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000901576843 969441990 /nfs/dbraw/zinc/44/19/90/969441990.db2.gz KVSXDBNBRSGPCC-QGZVFWFLSA-N -1 1 332.444 2.407 20 0 EEADMM Cc1ccc2nc(CNC[C@H]3CCC4(CC(C(=O)[O-])C4)O3)cn2c1 ZINC001605315234 973146069 /nfs/dbraw/zinc/14/60/69/973146069.db2.gz ZVAXNVGYCNRLEE-NSWWBONSSA-N -1 1 329.400 2.145 20 0 EEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[nH]1 ZINC001603516062 973526844 /nfs/dbraw/zinc/52/68/44/973526844.db2.gz LDWMETHBVOBFGN-RASWUEQRSA-N -1 1 332.360 2.500 20 0 EEADMM COCC[N@@H+](CCC(=O)[O-])[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001604604894 973717037 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EEADMM CC[C@H](C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001449454954 1104496799 /nfs/dbraw/zinc/49/67/99/1104496799.db2.gz LWZHVWJEEBXQIN-UONOGXRCSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2NC1=O)c1c(F)ccc([O-])c1F ZINC001452663825 1105627348 /nfs/dbraw/zinc/62/73/48/1105627348.db2.gz NHIGWHKPRNCCCD-GFCCVEGCSA-N -1 1 332.306 2.354 20 0 EEADMM CCc1ccc(-c2cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)no2)cc1 ZINC001455132572 1108241528 /nfs/dbraw/zinc/24/15/28/1108241528.db2.gz NNQPETHWJMGAHO-CYBMUJFWSA-N -1 1 338.371 2.047 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCC[C@H]1C ZINC001455559962 1108686795 /nfs/dbraw/zinc/68/67/95/1108686795.db2.gz SVTHYGKOZZMPHQ-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM C[C@@H](C(=O)NCCN(C(=O)c1ncccc1[O-])C1CC1)C1CCCC1 ZINC001455951037 1109016982 /nfs/dbraw/zinc/01/69/82/1109016982.db2.gz OUYWEYITWQWNFT-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC001456631939 1109233881 /nfs/dbraw/zinc/23/38/81/1109233881.db2.gz RAZDERMPZYDPRW-KBPBESRZSA-N -1 1 345.443 2.285 20 0 EEADMM CCc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001457328484 1109557752 /nfs/dbraw/zinc/55/77/52/1109557752.db2.gz MXXBIRXPVSFFLO-NSHDSACASA-N -1 1 347.440 2.207 20 0 EEADMM CC(C)(C(=O)N1CC[C@](C)(CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001459541941 1110214566 /nfs/dbraw/zinc/21/45/66/1110214566.db2.gz ZHWLYSJQXLVNRS-LJQANCHMSA-N -1 1 345.443 2.192 20 0 EEADMM O=S(=O)([N-]Cc1cccc2nsnc21)c1cccc(F)c1F ZINC001464500496 1110395699 /nfs/dbraw/zinc/39/56/99/1110395699.db2.gz JEDZIEKXZLVZQQ-UHFFFAOYSA-N -1 1 341.364 2.448 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC001468549223 1110476402 /nfs/dbraw/zinc/47/64/02/1110476402.db2.gz ZBXYEGLWFOHZRC-SNVBAGLBSA-N -1 1 338.161 2.128 20 0 EEADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N(C)C(N)=O)c2)c1 ZINC001475259300 1110609472 /nfs/dbraw/zinc/60/94/72/1110609472.db2.gz QREMJVKVOQEVND-UHFFFAOYSA-N -1 1 347.396 2.205 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)CCCC1CC1 ZINC001512465224 1118549571 /nfs/dbraw/zinc/54/95/71/1118549571.db2.gz DQOFWDNWDYBLNT-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001520776266 1119193575 /nfs/dbraw/zinc/19/35/75/1119193575.db2.gz RTMMSDVUDVSYFZ-CQSZACIVSA-N -1 1 338.419 2.052 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001520776266 1119193578 /nfs/dbraw/zinc/19/35/78/1119193578.db2.gz RTMMSDVUDVSYFZ-CQSZACIVSA-N -1 1 338.419 2.052 20 0 EEADMM CSCC[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1nn[n-]n1 ZINC001526800038 1120596620 /nfs/dbraw/zinc/59/66/20/1120596620.db2.gz VGLAVOSQBOGWKT-VIFPVBQESA-N -1 1 346.338 2.233 20 0 EEADMM CCc1nnc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)n1C ZINC001549225470 1121166874 /nfs/dbraw/zinc/16/68/74/1121166874.db2.gz YVWIEIKJEJNWSW-ZIAGYGMSSA-N -1 1 348.834 2.331 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC001528919808 1121235055 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EEADMM CC1(C(=O)NCc2ccc(CNC(=O)c3ncccc3[O-])cc2)CC1 ZINC001531923970 1122607042 /nfs/dbraw/zinc/60/70/42/1122607042.db2.gz DDCPOOFYXXOJEP-UHFFFAOYSA-N -1 1 339.395 2.134 20 0 EEADMM CCc1cc(C(=O)N(C)c2nn[n-]n2)c2c(CC(C)(C)C)noc2n1 ZINC001532085187 1122639385 /nfs/dbraw/zinc/63/93/85/1122639385.db2.gz JWDXZKKCWZLYEI-UHFFFAOYSA-N -1 1 343.391 2.164 20 0 EEADMM C[C@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cnncc1[O-] ZINC001550843426 1124137339 /nfs/dbraw/zinc/13/73/39/1124137339.db2.gz BRIFOARZWQIQIB-BONVTDFDSA-N -1 1 333.775 2.438 20 0 EEADMM COCc1ncc(C(=O)N[C@@H]2[C@H](c3ccccc3)C2(C)C)c(=O)[n-]1 ZINC001550860916 1124146138 /nfs/dbraw/zinc/14/61/38/1124146138.db2.gz PJOFCKFDNUJJPT-LSDHHAIUSA-N -1 1 327.384 2.251 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)n[nH]2)cc1 ZINC001550923953 1124178258 /nfs/dbraw/zinc/17/82/58/1124178258.db2.gz LFKQAUVFPLSUBB-DVOMOZLQSA-N -1 1 325.368 2.178 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccc3c(n2)CCCC3)cc(=O)[n-]1 ZINC001548608613 1124379615 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EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000237543495 539661145 /nfs/dbraw/zinc/66/11/45/539661145.db2.gz UVTDHBQGJIHFPY-XHDPSFHLSA-N -1 1 327.384 2.480 20 0 EEADMM CCOC(=O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000037565027 202346998 /nfs/dbraw/zinc/34/69/98/202346998.db2.gz FFMIXSIHGLXXSH-UHFFFAOYSA-N -1 1 346.619 2.488 20 0 EEADMM O=C(c1cc(Br)ccc1[O-])N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332204196 201365050 /nfs/dbraw/zinc/36/50/50/201365050.db2.gz DWNAWVPJLLEKSO-JBLDHEPKSA-N -1 1 340.217 2.388 20 0 EEADMM O=C(Cn1ccc2ccccc21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425326930 241122846 /nfs/dbraw/zinc/12/28/46/241122846.db2.gz UVOQQEUVQBAGGE-UHFFFAOYSA-N -1 1 326.356 2.136 20 0 EEADMM C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425328222 241127901 /nfs/dbraw/zinc/12/79/01/241127901.db2.gz XINIEOWNRCWIHJ-RDTXWAMCSA-N -1 1 327.384 2.459 20 0 EEADMM COc1ccc2nc(CN[C@H](CN3CCCCC3)C(=O)[O-])sc2c1 ZINC000426718579 241329737 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O=C(NCc1nn[n-]n1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000674359677 485708774 /nfs/dbraw/zinc/70/87/74/485708774.db2.gz CUPKFPRUYFUJDL-UHFFFAOYSA-N -1 1 328.763 2.209 20 0 EEADMM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681022181 486115509 /nfs/dbraw/zinc/11/55/09/486115509.db2.gz WKMAFXJSCDUZCS-CQSZACIVSA-N -1 1 332.331 2.045 20 0 EEADMM O=S(=O)([N-][C@@H](CO)CC1CC1)c1cc(Cl)sc1Cl ZINC000677243611 486399235 /nfs/dbraw/zinc/39/92/35/486399235.db2.gz ZLTDPENZNPQGHL-SSDOTTSWSA-N -1 1 330.258 2.494 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cccc([C@@H]2CCOC2)c1 ZINC000677797451 486495806 /nfs/dbraw/zinc/49/58/06/486495806.db2.gz XAJHNZMPTGIBTA-IAGOWNOFSA-N -1 1 349.394 2.223 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000682961583 486593288 /nfs/dbraw/zinc/59/32/88/486593288.db2.gz MKAASTPAHKFJAN-HNNXBMFYSA-N -1 1 331.343 2.451 20 0 EEADMM C[C@H](CN(C)C(=O)C(C)(C)Oc1cccc(Cl)c1)c1nn[n-]n1 ZINC000183430058 534010604 /nfs/dbraw/zinc/01/06/04/534010604.db2.gz 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578004446 /nfs/dbraw/zinc/00/44/46/578004446.db2.gz MCXDWQIERBOZLR-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738258634 578006377 /nfs/dbraw/zinc/00/63/77/578006377.db2.gz JHKWFQCQQQSGMF-OAHLLOKOSA-N -1 1 334.383 2.109 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1ccccc1 ZINC000738258634 578006378 /nfs/dbraw/zinc/00/63/78/578006378.db2.gz JHKWFQCQQQSGMF-OAHLLOKOSA-N -1 1 334.383 2.109 20 0 EEADMM Cc1cccc(C)c1NC(=O)CN1CCN(CCCCC(=O)[O-])CC1 ZINC000738308156 578008872 /nfs/dbraw/zinc/00/88/72/578008872.db2.gz ICYJNMGGSWTFRT-UHFFFAOYSA-N -1 1 347.459 2.114 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCCC[C@@H]3CO)c12 ZINC000738364608 578010800 /nfs/dbraw/zinc/01/08/00/578010800.db2.gz VBTKDQFHBGCRPZ-MNOVXSKESA-N -1 1 335.429 2.391 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1csc(-c2cccs2)n1 ZINC000738372774 578011487 /nfs/dbraw/zinc/01/14/87/578011487.db2.gz VCWMEAWDGSWDSD-UHFFFAOYSA-N -1 1 342.409 2.262 20 0 EEADMM c1cnc(N2CCCCC2)c(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738419563 578013946 /nfs/dbraw/zinc/01/39/46/578013946.db2.gz QQVDJTHOIGZVRZ-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000738526272 578018185 /nfs/dbraw/zinc/01/81/85/578018185.db2.gz RQNVBXQNQOAWBU-LBPRGKRZSA-N -1 1 334.313 2.330 20 0 EEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1Cl ZINC000738380864 576359192 /nfs/dbraw/zinc/35/91/92/576359192.db2.gz DBYMJKWZAJUHGN-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1Cl ZINC000738380864 576359194 /nfs/dbraw/zinc/35/91/94/576359194.db2.gz DBYMJKWZAJUHGN-NSHDSACASA-N -1 1 334.742 2.200 20 0 EEADMM O=C([O-])C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000738545154 576567697 /nfs/dbraw/zinc/56/76/97/576567697.db2.gz UBGJWJMYOMPUOA-UHFFFAOYSA-N -1 1 328.162 2.092 20 0 EEADMM CC(C)c1ccc(-c2nc(CC(=O)NCc3nn[n-]n3)cs2)cc1 ZINC000732157884 577152317 /nfs/dbraw/zinc/15/23/17/577152317.db2.gz 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CC(=O)c1ccc([O-])c(CCOC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 ZINC000744737504 577902263 /nfs/dbraw/zinc/90/22/63/577902263.db2.gz WDDIRZGUCQMLQW-UHFFFAOYSA-N -1 1 344.367 2.036 20 0 EEADMM CCOC(=O)C1CCC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747367784 577943024 /nfs/dbraw/zinc/94/30/24/577943024.db2.gz RYZGJFCMSPSTIZ-UHFFFAOYSA-N -1 1 349.431 2.466 20 0 EEADMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000748658820 577965483 /nfs/dbraw/zinc/96/54/83/577965483.db2.gz STPVDRGUWILUFM-CYBMUJFWSA-N -1 1 339.335 2.114 20 0 EEADMM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)o1 ZINC000740133085 578082210 /nfs/dbraw/zinc/08/22/10/578082210.db2.gz UQDUIYYYNHJAOI-UHFFFAOYSA-N -1 1 341.323 2.386 20 0 EEADMM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccnc2)c1 ZINC000740143155 578082654 /nfs/dbraw/zinc/08/26/54/578082654.db2.gz FFZTWKFIJLXUGE-UHFFFAOYSA-N -1 1 347.396 2.181 20 0 EEADMM O=C([O-])CSCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000740486870 578095810 /nfs/dbraw/zinc/09/58/10/578095810.db2.gz 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ZINC000736815757 578225323 /nfs/dbraw/zinc/22/53/23/578225323.db2.gz WYJPOAUULRXOJR-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CC[C@H](C)N(C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000736881933 578227851 /nfs/dbraw/zinc/22/78/51/578227851.db2.gz DCZQEQBUAPTSIC-QMMMGPOBSA-N -1 1 342.417 2.210 20 0 EEADMM CSc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737191773 578243076 /nfs/dbraw/zinc/24/30/76/578243076.db2.gz VJGCPLPSPSJUEA-UHFFFAOYSA-N -1 1 347.425 2.389 20 0 EEADMM CSc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737192304 578243116 /nfs/dbraw/zinc/24/31/16/578243116.db2.gz XBQKXKGTBXXRLT-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737192304 578243117 /nfs/dbraw/zinc/24/31/17/578243117.db2.gz XBQKXKGTBXXRLT-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CN(C)C(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737360894 578252632 /nfs/dbraw/zinc/25/26/32/578252632.db2.gz KTGRJRGUTLBSOT-INIZCTEOSA-N -1 1 330.359 2.443 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000821904757 599077125 /nfs/dbraw/zinc/07/71/25/599077125.db2.gz ZFAVUJYIGAHRNY-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM COc1ccccc1O[C@@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000821904757 599077122 /nfs/dbraw/zinc/07/71/22/599077122.db2.gz ZFAVUJYIGAHRNY-NSHDSACASA-N -1 1 326.360 2.150 20 0 EEADMM O=C([O-])C[C@H]1CCCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)C1 ZINC000819380945 597045392 /nfs/dbraw/zinc/04/53/92/597045392.db2.gz VWHUQPLTJDMLSQ-CVEARBPZSA-N -1 1 332.400 2.194 20 0 EEADMM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000238095503 600501128 /nfs/dbraw/zinc/50/11/28/600501128.db2.gz SZJLFPZUVMZGAT-AWEZNQCLSA-N -1 1 343.383 2.173 20 0 EEADMM CC(C)C(=O)NCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826658577 600732242 /nfs/dbraw/zinc/73/22/42/600732242.db2.gz RLSXSDKLMBCNEK-GFCCVEGCSA-N -1 1 333.215 2.481 20 0 EEADMM COc1ccc([C@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000164561685 600842627 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CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000829125444 601498116 /nfs/dbraw/zinc/49/81/16/601498116.db2.gz NEALFYSKALPTMV-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM C[C@@H]1CN([C@H]2CCCN(c3ccccc3Cl)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433777 601504809 /nfs/dbraw/zinc/50/48/09/601504809.db2.gz ZZTDAXLZBNSSLU-XUJVJEKNSA-N -1 1 336.819 2.488 20 0 EEADMM COC[C@H](C)n1c(C)cc(C(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000831649310 601540233 /nfs/dbraw/zinc/54/02/33/601540233.db2.gz BEHXUKCBMGJDPE-PVXIVEMSSA-N -1 1 336.432 2.148 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828395527 601760574 /nfs/dbraw/zinc/76/05/74/601760574.db2.gz XXIXZIFEILRUNF-WBMJQRKESA-N -1 1 325.368 2.040 20 0 EEADMM C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000827622945 601924356 /nfs/dbraw/zinc/92/43/56/601924356.db2.gz TVVMLNSSKBIADP-GZBFAFLISA-N -1 1 336.457 2.144 20 0 EEADMM CCOc1ccc(CN(C)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000830075178 602228398 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O=C([O-])c1ccc(OC[C@H](O)CN(Cc2cccnc2)C2CC2)cc1 ZINC000833782855 604911947 /nfs/dbraw/zinc/91/19/47/604911947.db2.gz QYWYFRJGDLNLDB-QGZVFWFLSA-N -1 1 342.395 2.184 20 0 EEADMM C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833410836 604931665 /nfs/dbraw/zinc/93/16/65/604931665.db2.gz HODSUDZTKUYKFK-QWRGUYRKSA-N -1 1 325.434 2.293 20 0 EEADMM O=C([O-])CCc1csc(NC(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000833239983 604982861 /nfs/dbraw/zinc/98/28/61/604982861.db2.gz NGXXFTKVTMQOCI-JTQLQIEISA-N -1 1 335.389 2.083 20 0 EEADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833603020 605105396 /nfs/dbraw/zinc/10/53/96/605105396.db2.gz DELIOXNNQXCTFS-IIAWOOMASA-N -1 1 348.443 2.343 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1F ZINC000833514223 605110621 /nfs/dbraw/zinc/11/06/21/605110621.db2.gz QDNJFYFRFWGSDY-KGLIPLIRSA-N -1 1 336.407 2.327 20 0 EEADMM C[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccc1F ZINC000833514224 605111020 /nfs/dbraw/zinc/11/10/20/605111020.db2.gz QDNJFYFRFWGSDY-UONOGXRCSA-N -1 1 336.407 2.327 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2nc(CCC(=O)[O-])cs2)C[C@H]1C ZINC000833655181 605164658 /nfs/dbraw/zinc/16/46/58/605164658.db2.gz AWPBQOAEWSQNGO-MNOVXSKESA-N -1 1 340.449 2.107 20 0 EEADMM CC(C)C[C@@H](NC(=O)CNC(C)(C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833479326 605170517 /nfs/dbraw/zinc/17/05/17/605170517.db2.gz YNMKIAVHVDQGLT-CQSZACIVSA-N -1 1 342.386 2.405 20 0 EEADMM CC(C)n1cnc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000833513204 605185590 /nfs/dbraw/zinc/18/55/90/605185590.db2.gz DIGUXLJBQSNCNI-UHFFFAOYSA-N -1 1 345.327 2.241 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCN1CCC(=O)[O-] ZINC000833623352 605252709 /nfs/dbraw/zinc/25/27/09/605252709.db2.gz PIJOTUBITZLGGR-CQSZACIVSA-N -1 1 346.427 2.096 20 0 EEADMM C/C(=C/c1ccc(C)cc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833382106 605474564 /nfs/dbraw/zinc/47/45/64/605474564.db2.gz BWKVXCLPEHVIEB-RTYFKUQISA-N -1 1 330.428 2.406 20 0 EEADMM Cc1nn(-c2ccccc2)c(CSC[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000822486807 606049499 /nfs/dbraw/zinc/04/94/99/606049499.db2.gz SQFLESQOBLULQX-NSHDSACASA-N -1 1 344.444 2.222 20 0 EEADMM COc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821837228 606180687 /nfs/dbraw/zinc/18/06/87/606180687.db2.gz BOOGFDIPHFCGQD-UHFFFAOYSA-N -1 1 332.341 2.165 20 0 EEADMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821837228 606180688 /nfs/dbraw/zinc/18/06/88/606180688.db2.gz BOOGFDIPHFCGQD-UHFFFAOYSA-N -1 1 332.341 2.165 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2ncccc2c1 ZINC000823294708 606298615 /nfs/dbraw/zinc/29/86/15/606298615.db2.gz NZMZAUGPDGVUGB-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3cc[nH]n3)C2)nc1-c1nnn[n-]1 ZINC000822573856 606459638 /nfs/dbraw/zinc/45/96/38/606459638.db2.gz JSCNWERHRFNCFO-VIFPVBQESA-N -1 1 330.783 2.022 20 0 EEADMM Clc1ccc(N2CCC[C@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC000822573856 606459639 /nfs/dbraw/zinc/45/96/39/606459639.db2.gz JSCNWERHRFNCFO-VIFPVBQESA-N -1 1 330.783 2.022 20 0 EEADMM COC(=O)c1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821667942 606511617 /nfs/dbraw/zinc/51/16/17/606511617.db2.gz HSUHMTPAGYISLM-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821667942 606511618 /nfs/dbraw/zinc/51/16/18/606511618.db2.gz HSUHMTPAGYISLM-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821610842 606523622 /nfs/dbraw/zinc/52/36/22/606523622.db2.gz HIODTMXGQZQWPF-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821610842 606523623 /nfs/dbraw/zinc/52/36/23/606523623.db2.gz HIODTMXGQZQWPF-UHFFFAOYSA-N -1 1 334.792 2.249 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821666027 606527435 /nfs/dbraw/zinc/52/74/35/606527435.db2.gz SMSTZYUYIMLYDX-UHFFFAOYSA-N -1 1 345.340 2.326 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821666027 606527436 /nfs/dbraw/zinc/52/74/36/606527436.db2.gz SMSTZYUYIMLYDX-UHFFFAOYSA-N -1 1 345.340 2.326 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)Cc2ccccc21 ZINC000821627272 606548989 /nfs/dbraw/zinc/54/89/89/606548989.db2.gz URIKDERCZUKWIS-UHFFFAOYSA-N -1 1 340.412 2.020 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)Cc2ccccc21 ZINC000821627272 606548991 /nfs/dbraw/zinc/54/89/91/606548991.db2.gz URIKDERCZUKWIS-UHFFFAOYSA-N -1 1 340.412 2.020 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc2O1 ZINC000820743418 606558286 /nfs/dbraw/zinc/55/82/86/606558286.db2.gz UFGQNZRPOVGQNU-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc2O1 ZINC000820743418 606558287 /nfs/dbraw/zinc/55/82/87/606558287.db2.gz UFGQNZRPOVGQNU-VIFPVBQESA-N -1 1 327.369 2.356 20 0 EEADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820028503 606595411 /nfs/dbraw/zinc/59/54/11/606595411.db2.gz ZXAAYQWMQVZHDN-ZDUSSCGKSA-N -1 1 340.391 2.119 20 0 EEADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820028503 606595413 /nfs/dbraw/zinc/59/54/13/606595413.db2.gz ZXAAYQWMQVZHDN-ZDUSSCGKSA-N -1 1 340.391 2.119 20 0 EEADMM CC(C)(C)c1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000819965847 606649504 /nfs/dbraw/zinc/64/95/04/606649504.db2.gz PHFMHHFQKJDCTN-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000819965847 606649505 /nfs/dbraw/zinc/64/95/05/606649505.db2.gz PHFMHHFQKJDCTN-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM Clc1nsc(N2CC[C@@H](Oc3cccnc3)C2)c1-c1nnn[n-]1 ZINC000822589910 606790084 /nfs/dbraw/zinc/79/00/84/606790084.db2.gz CXZWITDABIEZQC-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1nsc(N2CC[C@@H](Oc3cccnc3)C2)c1-c1nn[n-]n1 ZINC000822589910 606790085 /nfs/dbraw/zinc/79/00/85/606790085.db2.gz CXZWITDABIEZQC-SECBINFHSA-N -1 1 349.807 2.029 20 0 EEADMM CC(C)(C)OCCCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000819950331 606793327 /nfs/dbraw/zinc/79/33/27/606793327.db2.gz ITOLAZCSGNEJSX-UHFFFAOYSA-N -1 1 327.388 2.387 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000821798790 606954609 /nfs/dbraw/zinc/95/46/09/606954609.db2.gz NRJWIRDRRLCDML-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000821798790 606954611 /nfs/dbraw/zinc/95/46/11/606954611.db2.gz NRJWIRDRRLCDML-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)OCCCF)c1-c1nnn[n-]1 ZINC000821990962 607111930 /nfs/dbraw/zinc/11/19/30/607111930.db2.gz ZTFMTHZNCUTGBG-UHFFFAOYSA-N -1 1 337.380 2.377 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)OCCCF)c1-c1nn[n-]n1 ZINC000821990962 607111932 /nfs/dbraw/zinc/11/19/32/607111932.db2.gz ZTFMTHZNCUTGBG-UHFFFAOYSA-N -1 1 337.380 2.377 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000826208988 607775448 /nfs/dbraw/zinc/77/54/48/607775448.db2.gz IUEXDNJDWFBRAA-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000826208988 607775449 /nfs/dbraw/zinc/77/54/49/607775449.db2.gz IUEXDNJDWFBRAA-UHFFFAOYSA-N -1 1 345.384 2.222 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)N(C1CC1)C1CCCC1 ZINC000826418365 607865599 /nfs/dbraw/zinc/86/55/99/607865599.db2.gz CLADHKVAENCPJI-UHFFFAOYSA-N -1 1 345.378 2.318 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)N(C1CC1)C1CCCC1 ZINC000826418365 607865600 /nfs/dbraw/zinc/86/56/00/607865600.db2.gz CLADHKVAENCPJI-UHFFFAOYSA-N -1 1 345.378 2.318 20 0 EEADMM O=C(c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1)N1CCCC1 ZINC000826473169 607899350 /nfs/dbraw/zinc/89/93/50/607899350.db2.gz NBNJEFZHJINDPS-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM O=C(c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1)N1CCCC1 ZINC000826473169 607899351 /nfs/dbraw/zinc/89/93/51/607899351.db2.gz NBNJEFZHJINDPS-UHFFFAOYSA-N -1 1 336.355 2.290 20 0 EEADMM CC(C)(C)c1cc(NC(=O)c2cnsn2)c(-c2nn[n-]n2)s1 ZINC000824129605 608347640 /nfs/dbraw/zinc/34/76/40/608347640.db2.gz AEKKSVWAWVBZIU-UHFFFAOYSA-N -1 1 335.418 2.330 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nc2ccccc2s1 ZINC000826451573 608382848 /nfs/dbraw/zinc/38/28/48/608382848.db2.gz MKIMMIGQFVYKAE-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM COc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)C)cc1 ZINC000826189607 608392199 /nfs/dbraw/zinc/39/21/99/608392199.db2.gz ZPMHEQRQUUKPHV-HNNXBMFYSA-N -1 1 325.376 2.475 20 0 EEADMM COc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)C)cc1 ZINC000826189607 608392201 /nfs/dbraw/zinc/39/22/01/608392201.db2.gz ZPMHEQRQUUKPHV-HNNXBMFYSA-N -1 1 325.376 2.475 20 0 EEADMM C[C@]1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000824824655 608427775 /nfs/dbraw/zinc/42/77/75/608427775.db2.gz WMWYRZREXONROZ-LJQANCHMSA-N -1 1 348.410 2.286 20 0 EEADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000824824655 608427776 /nfs/dbraw/zinc/42/77/76/608427776.db2.gz WMWYRZREXONROZ-LJQANCHMSA-N -1 1 348.410 2.286 20 0 EEADMM CCOc1ccc(C2=CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000825637939 608555687 /nfs/dbraw/zinc/55/56/87/608555687.db2.gz CAUSSOSAOIASCQ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM CCOc1ccc(C2=CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000825637939 608555690 /nfs/dbraw/zinc/55/56/90/608555690.db2.gz CAUSSOSAOIASCQ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM c1cn(Cc2ccc(OCc3ccncc3)cc2)c(-c2nnn[n-]2)n1 ZINC000826516462 608888620 /nfs/dbraw/zinc/88/86/20/608888620.db2.gz LVNRILULNDOKAT-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1cn(Cc2ccc(OCc3ccncc3)cc2)c(-c2nn[n-]n2)n1 ZINC000826516462 608888621 /nfs/dbraw/zinc/88/86/21/608888621.db2.gz LVNRILULNDOKAT-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1C=CCC1 ZINC000826340848 609160522 /nfs/dbraw/zinc/16/05/22/609160522.db2.gz MWMCDKZYNLJULK-NSHDSACASA-N -1 1 325.328 2.434 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1C=CCC1 ZINC000826340848 609160523 /nfs/dbraw/zinc/16/05/23/609160523.db2.gz MWMCDKZYNLJULK-NSHDSACASA-N -1 1 325.328 2.434 20 0 EEADMM Cc1cc(Br)ccc1CNc1n[nH]cc1-c1nnn[n-]1 ZINC000826256357 609309004 /nfs/dbraw/zinc/30/90/04/609309004.db2.gz FJXDAJKVFLEMSO-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM Cc1cc(Br)ccc1CNc1n[nH]cc1-c1nn[n-]n1 ZINC000826256357 609309005 /nfs/dbraw/zinc/30/90/05/609309005.db2.gz FJXDAJKVFLEMSO-UHFFFAOYSA-N -1 1 334.181 2.273 20 0 EEADMM CSc1ccc(C)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826230455 609470305 /nfs/dbraw/zinc/47/03/05/609470305.db2.gz UZPIRQOYAUNUTC-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM CSc1ccc(C)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826230455 609470307 /nfs/dbraw/zinc/47/03/07/609470307.db2.gz UZPIRQOYAUNUTC-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)[C@H](C)C2 ZINC000826294220 609603223 /nfs/dbraw/zinc/60/32/23/609603223.db2.gz MEIDHQXRTXCAOG-BZNIZROVSA-N -1 1 334.383 2.233 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)[C@H](C)C2 ZINC000826294220 609603224 /nfs/dbraw/zinc/60/32/24/609603224.db2.gz MEIDHQXRTXCAOG-BZNIZROVSA-N -1 1 334.383 2.233 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2c1 ZINC000826293231 609642006 /nfs/dbraw/zinc/64/20/06/609642006.db2.gz GZEMPUWNULETFD-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM Cc1ccc2[nH]cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2c1 ZINC000826293231 609642007 /nfs/dbraw/zinc/64/20/07/609642007.db2.gz GZEMPUWNULETFD-UHFFFAOYSA-N -1 1 334.339 2.408 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C/C(Cl)=C\Cl)C1 ZINC000969542055 675097941 /nfs/dbraw/zinc/09/79/41/675097941.db2.gz DFZWOMSCQXRNGS-WUFUFFIZSA-N -1 1 330.215 2.156 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cncc([O-])c2)C1 ZINC000891025153 675970528 /nfs/dbraw/zinc/97/05/28/675970528.db2.gz PNAFRKPHRQSFOB-SFHVURJKSA-N -1 1 347.415 2.403 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCN(C)c1ccccc1 ZINC000078795884 675426776 /nfs/dbraw/zinc/42/67/76/675426776.db2.gz UQMYVMGVIGFEJD-UHFFFAOYSA-N -1 1 342.443 2.458 20 0 EEADMM CC(=O)N1CCC([C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001020857264 675543715 /nfs/dbraw/zinc/54/37/15/675543715.db2.gz JCMFCCRQLDNNBN-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cnc2n1CCCCC2 ZINC000891613350 676722901 /nfs/dbraw/zinc/72/29/01/676722901.db2.gz HJMIBBPJUCCBNB-UHFFFAOYSA-N -1 1 327.388 2.236 20 0 EEADMM O=C([N-]c1nc2c(c(=O)[nH]1)CCCC2)C(F)(F)C1CCOCC1 ZINC000891618926 676726901 /nfs/dbraw/zinc/72/69/01/676726901.db2.gz VNJDCSALDMIBOG-UHFFFAOYSA-N -1 1 327.331 2.061 20 0 EEADMM Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621918 676732629 /nfs/dbraw/zinc/73/26/29/676732629.db2.gz KQCWLMXVXVSTBY-JTQLQIEISA-N -1 1 343.431 2.229 20 0 EEADMM COCc1nc(NCc2cccc(N3CCCC3=O)c2)cc(=O)[n-]1 ZINC000891824031 676849021 /nfs/dbraw/zinc/84/90/21/676849021.db2.gz KZXOODBGPBIOGX-UHFFFAOYSA-N -1 1 328.372 2.068 20 0 EEADMM CC(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC000972336818 678565850 /nfs/dbraw/zinc/56/58/50/678565850.db2.gz XJJPIOZDIRGVEA-ZIAGYGMSSA-N -1 1 345.443 2.142 20 0 EEADMM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1c([O-])cccc1Cl ZINC000924878240 681649191 /nfs/dbraw/zinc/64/91/91/681649191.db2.gz WHESOYQEYGEFAK-CMPLNLGQSA-N -1 1 341.791 2.276 20 0 EEADMM Cc1ccccc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937211537 681682131 /nfs/dbraw/zinc/68/21/31/681682131.db2.gz LEBUMTGUAICFDO-CQSZACIVSA-N -1 1 339.395 2.082 20 0 EEADMM CN(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212621 681688277 /nfs/dbraw/zinc/68/82/77/681688277.db2.gz WZNWJNGSAVNAST-LBPRGKRZSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982672944 682000749 /nfs/dbraw/zinc/00/07/49/682000749.db2.gz MEATZTSAUBJPHR-KKUMJFAQSA-N -1 1 345.443 2.192 20 0 EEADMM CCC[C@H]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197888 682295303 /nfs/dbraw/zinc/29/53/03/682295303.db2.gz PPTQMDUSAYTMEP-ZQDZILKHSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000973198568 682295848 /nfs/dbraw/zinc/29/58/48/682295848.db2.gz ZNKIDGILTMRXDQ-HDJSIYSDSA-N -1 1 339.395 2.095 20 0 EEADMM COCc1nccc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000894996830 683463669 /nfs/dbraw/zinc/46/36/69/683463669.db2.gz INIOFPNHIQNFFP-UHFFFAOYSA-N -1 1 348.834 2.304 20 0 EEADMM Cc1ccc(C)c(-c2cc(C(=O)[N-]NC(=O)[C@H]3CCCS3)n[nH]2)c1 ZINC000152824286 683543577 /nfs/dbraw/zinc/54/35/77/683543577.db2.gz KRFVQBRPAOKYKE-OAHLLOKOSA-N -1 1 344.440 2.350 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2cccc(C(F)(F)F)c2)C1 ZINC000909396621 693776851 /nfs/dbraw/zinc/77/68/51/693776851.db2.gz QVPJWJCRSXFAEH-GFCCVEGCSA-N -1 1 344.333 2.118 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(F)cc3ccoc32)CC1 ZINC000899537782 693782719 /nfs/dbraw/zinc/78/27/19/693782719.db2.gz BRGNVNZCMMLUDT-UHFFFAOYSA-N -1 1 334.347 2.193 20 0 EEADMM CCN(CC1CCN(C(=O)CC2CC2)CC1)C(=O)c1ncccc1[O-] ZINC000936364250 684061928 /nfs/dbraw/zinc/06/19/28/684061928.db2.gz HNHDQWXGIPVPBZ-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CCCC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ncccc1[O-] ZINC000984165087 684184279 /nfs/dbraw/zinc/18/42/79/684184279.db2.gz FZEWTRZOCPHRFM-OAUYIBNBSA-N -1 1 345.443 2.333 20 0 EEADMM CC[C@@]1(C(C)C)C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057376 684270509 /nfs/dbraw/zinc/27/05/09/684270509.db2.gz QRIJWVKIJYQOGV-LJPSSGMGSA-N -1 1 345.443 2.237 20 0 EEADMM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057370 684270866 /nfs/dbraw/zinc/27/08/66/684270866.db2.gz PPTQMDUSAYTMEP-KBXIAJHMSA-N -1 1 345.443 2.381 20 0 EEADMM CCCc1occc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974057783 684271042 /nfs/dbraw/zinc/27/10/42/684271042.db2.gz RQPMHZWTGNHWSV-TXEJJXNPSA-N -1 1 343.383 2.024 20 0 EEADMM O=C(NC[C@@H]1C[C@H](NC(=O)C2=CCCCCC2)C1)c1ncccc1[O-] ZINC000978742671 693864746 /nfs/dbraw/zinc/86/47/46/693864746.db2.gz NEWHMQZTOUXMCJ-OTVXOJSOSA-N -1 1 343.427 2.302 20 0 EEADMM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000899810977 693877205 /nfs/dbraw/zinc/87/72/05/693877205.db2.gz YVCXUNPIJGFSNR-NIJZGISVSA-N -1 1 343.358 2.231 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C(=O)c1cncc([O-])c1)C2 ZINC000298548502 684804427 /nfs/dbraw/zinc/80/44/27/684804427.db2.gz YOJDIVQKROTHHD-SFHVURJKSA-N -1 1 347.415 2.403 20 0 EEADMM Cc1cnc([C@@H](C)N2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000974482496 684974707 /nfs/dbraw/zinc/97/47/07/684974707.db2.gz FBNCZAKQVLWVEE-OCCSQVGLSA-N -1 1 344.415 2.285 20 0 EEADMM COC(=O)C[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897094285 686103406 /nfs/dbraw/zinc/10/34/06/686103406.db2.gz WBWDQXJAMIWAEM-LBPRGKRZSA-N -1 1 329.352 2.419 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000975262744 686342105 /nfs/dbraw/zinc/34/21/05/686342105.db2.gz XQUALFWBQRYSKJ-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000313342468 686922864 /nfs/dbraw/zinc/92/28/64/686922864.db2.gz ANCXHKZDIDPIQG-UHFFFAOYSA-N -1 1 346.380 2.219 20 0 EEADMM CCC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000975955704 687181010 /nfs/dbraw/zinc/18/10/10/687181010.db2.gz PIJDYIZQGDRPOJ-UONOGXRCSA-N -1 1 331.416 2.183 20 0 EEADMM CC(C)C(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000975958601 687184849 /nfs/dbraw/zinc/18/48/49/687184849.db2.gz SBOJEELFWVSCLZ-HUUCEWRRSA-N -1 1 345.443 2.429 20 0 EEADMM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)CN(C)C2CCC2)c1 ZINC000909640745 687304736 /nfs/dbraw/zinc/30/47/36/687304736.db2.gz PJOQLFWKBFOMHW-UHFFFAOYSA-N -1 1 342.399 2.302 20 0 EEADMM C[C@H](C(=O)NCC1(C(=O)[O-])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000909641876 687327119 /nfs/dbraw/zinc/32/71/19/687327119.db2.gz KQJGSZUFTAEVHA-OAHLLOKOSA-N -1 1 344.455 2.311 20 0 EEADMM O=C(CCCC1CC1)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060162424 694214314 /nfs/dbraw/zinc/21/43/14/694214314.db2.gz HRJJARWKPFCJAD-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)c2ccoc2)CC1 ZINC000986759784 688890776 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20 0 EEADMM C[C@@H]1COC[C@@H]1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000925996197 1206179630 /nfs/dbraw/zinc/17/96/30/1206179630.db2.gz QNBQEUCRPFSWDV-WBMJQRKESA-N -1 1 332.400 2.031 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCCN(c2cccc(F)n2)C1 ZINC001110930953 1206306727 /nfs/dbraw/zinc/30/67/27/1206306727.db2.gz CNKXBXNZFAYLLW-GOSISDBHSA-N -1 1 344.390 2.358 20 0 EEADMM O=C(NCCO[C@H]1CCCCO1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932054939 1207525613 /nfs/dbraw/zinc/52/56/13/1207525613.db2.gz VTHQKVZFMXUXDK-INIZCTEOSA-N -1 1 346.387 2.243 20 0 EEADMM CO[C@@H]1CCN(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C[C@H]1C ZINC000932059216 1207527121 /nfs/dbraw/zinc/52/71/21/1207527121.db2.gz UEMJUBZGAUKLQQ-IUODEOHRSA-N -1 1 330.388 2.467 20 0 EEADMM O=C(OCc1cc(=O)c(O)co1)c1ccc(Br)c([O-])c1 ZINC000778829231 1208367115 /nfs/dbraw/zinc/36/71/15/1208367115.db2.gz MVBOIQQXESVBGU-UHFFFAOYSA-N -1 1 341.113 2.171 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)CCC1CCCC1 ZINC001012227163 1225086367 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EEADMM O=C(N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1ccc(Cl)o1 ZINC000950539451 1210266781 /nfs/dbraw/zinc/26/67/81/1210266781.db2.gz QELZGYRVIRSNOI-JTQLQIEISA-N -1 1 349.774 2.068 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC000950659906 1210330942 /nfs/dbraw/zinc/33/09/42/1210330942.db2.gz DXMVFGIWNYEPKQ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N=c1cn[n-]s1)NNC(=O)c1c(Cl)cccc1Cl ZINC000192346895 1210507525 /nfs/dbraw/zinc/50/75/25/1210507525.db2.gz ISBGHTANSYDUQA-UHFFFAOYSA-N -1 1 332.172 2.311 20 0 EEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1=O ZINC000192729121 1210586337 /nfs/dbraw/zinc/58/63/37/1210586337.db2.gz SPBBJHPMTLPTRO-JDNHERCYSA-N -1 1 335.429 2.238 20 0 EEADMM COC(=O)CN(Cn1c(Cc2cccs2)n[n-]c1=S)C1CC1 ZINC000080300669 1210854085 /nfs/dbraw/zinc/85/40/85/1210854085.db2.gz RPPDSPFWOIIINN-UHFFFAOYSA-N -1 1 338.458 2.188 20 0 EEADMM Cc1ccccc1OCCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000080600835 1210977292 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EEADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)CC2CCCCCC2)C1 ZINC000954128057 1212477633 /nfs/dbraw/zinc/47/76/33/1212477633.db2.gz QEDQLHVYBUCYBD-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1C[C@H](NC(=O)C23CCC(CC2)C3)CN1C(=O)c1ncccc1[O-] ZINC001012502035 1225388611 /nfs/dbraw/zinc/38/86/11/1225388611.db2.gz AYVJDLYFZVYDGL-PNBPBRNGSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CC2=CCCCC2)CN1C(=O)c1ncccc1[O-] ZINC001012514786 1225400593 /nfs/dbraw/zinc/40/05/93/1225400593.db2.gz ZLPYBCKZTLSHNF-UKRRQHHQSA-N -1 1 343.427 2.397 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCC1CC1 ZINC000955592908 1213191911 /nfs/dbraw/zinc/19/19/11/1213191911.db2.gz JVHDAFYSWFWNJN-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@]2(C1)CCCCN(C(=O)C1CC1)C2 ZINC000956528570 1214013085 /nfs/dbraw/zinc/01/30/85/1214013085.db2.gz VTSPYHDQVXWKTF-IBGZPJMESA-N -1 1 343.427 2.042 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC000959260083 1214405469 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EEADMM CCC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC000965260290 1218992405 /nfs/dbraw/zinc/99/24/05/1218992405.db2.gz UDXVOERTGXKXRQ-GJZGRUSLSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1noc(C)c1CN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000965940551 1219381360 /nfs/dbraw/zinc/38/13/60/1219381360.db2.gz ISWFUIQSCPAYFH-NHYWBVRUSA-N -1 1 344.415 2.032 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)s1 ZINC000966330067 1219681611 /nfs/dbraw/zinc/68/16/11/1219681611.db2.gz NDCRGUOCYLQLIT-CMPLNLGQSA-N -1 1 345.424 2.048 20 0 EEADMM CC[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967010676 1220196496 /nfs/dbraw/zinc/19/64/96/1220196496.db2.gz LXERTHLGEHPBAJ-TZMCWYRMSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])CC1 ZINC000967529190 1220601733 /nfs/dbraw/zinc/60/17/33/1220601733.db2.gz XVZQASGQDKTOOC-AWEZNQCLSA-N -1 1 331.416 2.207 20 0 EEADMM CCCC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001013914730 1225999536 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EEADMM CC(C)=CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001009831999 1223402463 /nfs/dbraw/zinc/40/24/63/1223402463.db2.gz PJGZUNMRWMWBDR-SOUVJXGZSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H]1C[C@H](CNC(=O)C2CC(C)(C)C2)CN1C(=O)c1ncccc1[O-] ZINC001010119908 1223561348 /nfs/dbraw/zinc/56/13/48/1223561348.db2.gz HIXKGLQJSIBNEE-CHWSQXEVSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)c(C)s1 ZINC001054591414 1248694380 /nfs/dbraw/zinc/69/43/80/1248694380.db2.gz UUWPLTRZLBXJEW-QMTHXVAHSA-N -1 1 346.456 2.111 20 0 EEADMM Cc1ccc(F)c(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC001010729446 1223874900 /nfs/dbraw/zinc/87/49/00/1223874900.db2.gz BEIAJVKZAVKLIW-CQSZACIVSA-N -1 1 329.375 2.239 20 0 EEADMM O=C(N[C@@H]1CCN(Cc2cccc(F)c2F)C1)c1ncccc1[O-] ZINC001010735982 1223878901 /nfs/dbraw/zinc/87/89/01/1223878901.db2.gz ZZKUCHPODMDMGQ-GFCCVEGCSA-N -1 1 333.338 2.070 20 0 EEADMM C/C=C(/C)C(=O)N1C[C@]2(C)CN(C(=O)c3ncccc3[O-])C[C@]2(C)C1 ZINC001010968013 1223998980 /nfs/dbraw/zinc/99/89/80/1223998980.db2.gz RAZOTWGUYVJWTM-HXDPMJNISA-N -1 1 343.427 2.064 20 0 EEADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001011037994 1224022688 /nfs/dbraw/zinc/02/26/88/1224022688.db2.gz XOFQZFLJJLRJOI-UONOGXRCSA-N -1 1 345.443 2.144 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014261392 1226425130 /nfs/dbraw/zinc/42/51/30/1226425130.db2.gz VZBMZYUAVIGWMV-ZUEVXXBESA-N -1 1 345.443 2.333 20 0 EEADMM CCC1(C(=O)N2CCC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001017240548 1227256850 /nfs/dbraw/zinc/25/68/50/1227256850.db2.gz OGOVRZLUVVXOQW-AWEZNQCLSA-N -1 1 349.479 2.151 20 0 EEADMM Cc1ccc2ncnc(N3CC[C@@H](NC(=O)c4ncccc4[O-])C3)c2c1 ZINC001058343781 1248890189 /nfs/dbraw/zinc/89/01/89/1248890189.db2.gz IWGQZCBJJUUMIL-CYBMUJFWSA-N -1 1 349.394 2.048 20 0 EEADMM CC1CC(C(=O)N(C)C[C@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC001019749759 1229315942 /nfs/dbraw/zinc/31/59/42/1229315942.db2.gz FKQUQWOXIDOQHU-YMAMQOFZSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cnc([C@@H](C)N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)o1 ZINC001046261775 1234605929 /nfs/dbraw/zinc/60/59/29/1234605929.db2.gz HGAGYCXDEWKFOK-PXAZEXFGSA-N -1 1 330.388 2.039 20 0 EEADMM COc1cccc(OCCCNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900778155 1234804960 /nfs/dbraw/zinc/80/49/60/1234804960.db2.gz VLLWGJWXCVPTQA-UHFFFAOYSA-N -1 1 343.383 2.267 20 0 EEADMM O=C(OCCNC(=O)C1CCCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203457 1235215247 /nfs/dbraw/zinc/21/52/47/1235215247.db2.gz RZHKWBKCZPYVBK-UHFFFAOYSA-N -1 1 343.383 2.041 20 0 EEADMM O=C(NCC[C@H]1COc2ccccc2O1)c1cnc(C2CC2)[n-]c1=O ZINC000901105052 1235226894 /nfs/dbraw/zinc/22/68/94/1235226894.db2.gz BMVMDAXUUCAFAX-LBPRGKRZSA-N -1 1 341.367 2.020 20 0 EEADMM CC(C)n1ncnc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325986 1235425397 /nfs/dbraw/zinc/42/53/97/1235425397.db2.gz LDBMUFLWAOQSIZ-UHFFFAOYSA-N -1 1 345.334 2.246 20 0 EEADMM CCCCNC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326561 1235425780 /nfs/dbraw/zinc/42/57/80/1235425780.db2.gz YCBZWPWKHMRHOC-NSHDSACASA-N -1 1 349.362 2.179 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(F)F ZINC000801375929 1235471405 /nfs/dbraw/zinc/47/14/05/1235471405.db2.gz SPSHFYJIWSFGLB-UHFFFAOYSA-N -1 1 330.674 2.222 20 0 EEADMM CC[C@@H](OC(=O)c1nn(-c2cccc(C)c2C)cc1[O-])C(=O)OC ZINC000801417806 1235549126 /nfs/dbraw/zinc/54/91/26/1235549126.db2.gz RBEVYAHPHREIQP-CQSZACIVSA-N -1 1 332.356 2.303 20 0 EEADMM Cc1cnc(COC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cn1 ZINC000801426970 1235563141 /nfs/dbraw/zinc/56/31/41/1235563141.db2.gz IRMDFGOMYYTZSN-UHFFFAOYSA-N -1 1 342.330 2.481 20 0 EEADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)C2)c1F ZINC001413350894 1235784215 /nfs/dbraw/zinc/78/42/15/1235784215.db2.gz FAWPTCWQQILQGI-ZJUUUORDSA-N -1 1 347.383 2.466 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)cc1C ZINC001413360059 1235890327 /nfs/dbraw/zinc/89/03/27/1235890327.db2.gz VYZZOUDMOCCLGE-NSHDSACASA-N -1 1 329.418 2.479 20 0 EEADMM COc1ccccc1SCC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801702098 1236053484 /nfs/dbraw/zinc/05/34/84/1236053484.db2.gz QNXYBHPPQJTHDK-UHFFFAOYSA-N -1 1 328.397 2.081 20 0 EEADMM COC(=O)C(=O)CCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616911 1236054162 /nfs/dbraw/zinc/05/41/62/1236054162.db2.gz SLDKFCYRFHDULF-UHFFFAOYSA-N -1 1 332.381 2.464 20 0 EEADMM COCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618082 1236056161 /nfs/dbraw/zinc/05/61/61/1236056161.db2.gz COOBTYBFSBQLQY-LBPRGKRZSA-N -1 1 347.440 2.483 20 0 EEADMM O=C([O-])CN(Cc1cnn(CC(F)F)c1)Cc1ccc(F)cc1 ZINC000901627082 1236069605 /nfs/dbraw/zinc/06/96/05/1236069605.db2.gz HQSVNEDUPXXUDH-UHFFFAOYSA-N -1 1 327.306 2.374 20 0 EEADMM COc1ccc(CNCc2c(C)nn(CCC(=O)[O-])c2C)c(OC)c1 ZINC000902094786 1237037070 /nfs/dbraw/zinc/03/70/70/1237037070.db2.gz QMNFPIRWCNVCEW-UHFFFAOYSA-N -1 1 347.415 2.282 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H](CNc2nccnc2F)C1 ZINC001048120696 1237131137 /nfs/dbraw/zinc/13/11/37/1237131137.db2.gz HEULVUXRPWEBKC-NEPJUHHUSA-N -1 1 345.378 2.069 20 0 EEADMM CC/C=C(/C)C(=O)N1CCC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001056616314 1239449681 /nfs/dbraw/zinc/44/96/81/1239449681.db2.gz FXHSKINRKSVRBP-TUJBUDNFSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]2[C@@H]1CCN2Cc1cscn1 ZINC001049435655 1240907573 /nfs/dbraw/zinc/90/75/73/1240907573.db2.gz WEEOREBWAOPUPY-KBPBESRZSA-N -1 1 344.440 2.123 20 0 EEADMM C[C@@H](c1nnnn1C1CCCCC1)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000903611457 1241158342 /nfs/dbraw/zinc/15/83/42/1241158342.db2.gz NMVQLQPDMBMIGE-DCGLDWPTSA-N -1 1 333.436 2.426 20 0 EEADMM CCC[C@@H]1C[C@H](C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCO1 ZINC000780159048 1243494368 /nfs/dbraw/zinc/49/43/68/1243494368.db2.gz CEIOOWVEWKRDLB-HUUCEWRRSA-N -1 1 333.384 2.082 20 0 EEADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050531346 1243793300 /nfs/dbraw/zinc/79/33/00/1243793300.db2.gz SAAMNPBZCCRQHX-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050531376 1243793601 /nfs/dbraw/zinc/79/36/01/1243793601.db2.gz SIKQWUBJZRZJAY-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM CCc1cc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001057624421 1244471948 /nfs/dbraw/zinc/47/19/48/1244471948.db2.gz ZLNFOHHVSZOZSP-CQSZACIVSA-N -1 1 341.415 2.165 20 0 EEADMM Cc1csc2c1ncnc2N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001097764443 1244581616 /nfs/dbraw/zinc/58/16/16/1244581616.db2.gz GXGYLTDGIWFSFK-JTQLQIEISA-N -1 1 343.412 2.331 20 0 EEADMM Cc1cc(N[C@@H](C)CNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001097765484 1244583410 /nfs/dbraw/zinc/58/34/10/1244583410.db2.gz TXYKMSCCWIFFPM-LBPRGKRZSA-N -1 1 329.404 2.239 20 0 EEADMM Cc1ccc(NCC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)nn1 ZINC001053354460 1246225003 /nfs/dbraw/zinc/22/50/03/1246225003.db2.gz HZMZJFXJDFCBJN-TZMCWYRMSA-N -1 1 341.415 2.096 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001052420936 1247241646 /nfs/dbraw/zinc/24/16/46/1247241646.db2.gz HXDNENIAJJDFAF-OLZOCXBDSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001052421870 1247243915 /nfs/dbraw/zinc/24/39/15/1247243915.db2.gz NYLFVPXJAIAARH-KBPBESRZSA-N -1 1 333.432 2.048 20 0 EEADMM CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2CC1 ZINC001074289326 1256860435 /nfs/dbraw/zinc/86/04/35/1256860435.db2.gz BCQIGRQHKCPTAT-GASCZTMLSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nc(Cl)cc(N[C@H](C)CCNC(=O)c2ncccc2[O-])n1 ZINC001099105183 1257967153 /nfs/dbraw/zinc/96/71/53/1257967153.db2.gz SWMVRJLMKWTWSQ-SECBINFHSA-N -1 1 335.795 2.160 20 0 EEADMM COc1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)ccc1C ZINC000345470241 1278553848 /nfs/dbraw/zinc/55/38/48/1278553848.db2.gz NIVZLPQOOWMPEM-UHFFFAOYSA-N -1 1 339.355 2.348 20 0 EEADMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1F ZINC001185687764 1278741097 /nfs/dbraw/zinc/74/10/97/1278741097.db2.gz SYLDYJOKIWSWGE-UHFFFAOYSA-N -1 1 344.751 2.462 20 0 EEADMM Cc1ccc2c(c1[N-]S(=O)(=O)c1cccc(F)c1C)CNC2=O ZINC001185824736 1278809848 /nfs/dbraw/zinc/80/98/48/1278809848.db2.gz KJEOJCGZYUTWSI-UHFFFAOYSA-N -1 1 334.372 2.487 20 0 EEADMM O=C(NCCCC[P@@](=O)([O-])O)c1ccc(OCC2CC2)cc1F ZINC001185880745 1278848402 /nfs/dbraw/zinc/84/84/02/1278848402.db2.gz XRBHFDBAGRMVFX-UHFFFAOYSA-N -1 1 345.307 2.302 20 0 EEADMM CCCOC(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197554371 1284681998 /nfs/dbraw/zinc/68/19/98/1284681998.db2.gz INCSXKUBBVDDFQ-UHFFFAOYSA-N -1 1 340.228 2.366 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccnc(Cl)c2O)ccc1F ZINC001186150258 1278973567 /nfs/dbraw/zinc/97/35/67/1278973567.db2.gz AMVMACXALACRNN-UHFFFAOYSA-N -1 1 346.723 2.079 20 0 EEADMM O=S(=O)([N-]c1ccc2nsnc2c1)c1ccc2nsnc2c1 ZINC001186226284 1278994222 /nfs/dbraw/zinc/99/42/22/1278994222.db2.gz PPRJTYGSQHUTHD-UHFFFAOYSA-N -1 1 349.422 2.497 20 0 EEADMM O=C(Cc1nc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1)c1ccccc1 ZINC001186209523 1279006543 /nfs/dbraw/zinc/00/65/43/1279006543.db2.gz WHGSTQUESWXXCC-UHFFFAOYSA-N -1 1 340.314 2.327 20 0 EEADMM O=C(Nc1ncccc1CN1CCOCC1)c1ccc([O-])c(F)c1 ZINC001186208749 1279006611 /nfs/dbraw/zinc/00/66/11/1279006611.db2.gz IQKJYAUPAXMSHY-UHFFFAOYSA-N -1 1 331.347 2.011 20 0 EEADMM COC[C@@H]1COCCC12CCN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001186326634 1279042882 /nfs/dbraw/zinc/04/28/82/1279042882.db2.gz DWLWWPNCIUBFED-CYBMUJFWSA-N -1 1 337.391 2.437 20 0 EEADMM COC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC001186339950 1279079073 /nfs/dbraw/zinc/07/90/73/1279079073.db2.gz SIGXKLRVDQCNJN-SFHVURJKSA-N -1 1 331.343 2.436 20 0 EEADMM COCCOc1ccccc1C(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001187186086 1279423205 /nfs/dbraw/zinc/42/32/05/1279423205.db2.gz VJUSXGIYZYMHIH-UHFFFAOYSA-N -1 1 335.385 2.182 20 0 EEADMM CC(C)C(=O)Nc1cccc(C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)c1 ZINC001187315642 1279508108 /nfs/dbraw/zinc/50/81/08/1279508108.db2.gz HJLBHZPVLTXLHZ-UHFFFAOYSA-N -1 1 345.315 2.133 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2n[n-]nc2C(F)(F)F)c(F)c1 ZINC001187769659 1279630823 /nfs/dbraw/zinc/63/08/23/1279630823.db2.gz BPFMHUKHXCTWQP-LURJTMIESA-N -1 1 332.257 2.462 20 0 EEADMM COc1nc(NC(=O)c2n[n-]nc2C(F)(F)F)cc2cccnc21 ZINC001187759001 1279643080 /nfs/dbraw/zinc/64/30/80/1279643080.db2.gz OQYMCTBANKGDFZ-UHFFFAOYSA-N -1 1 338.249 2.028 20 0 EEADMM Cc1c(NC(=O)c2n[n-]nc2C(F)(F)F)ccc2c1OCCO2 ZINC001187766156 1279647580 /nfs/dbraw/zinc/64/75/80/1279647580.db2.gz IIEKADNVOHPFRL-UHFFFAOYSA-N -1 1 328.250 2.155 20 0 EEADMM CCCCn1cc(C[N-]S(=O)(=O)c2ccc(F)nc2F)c(C)n1 ZINC000867053178 1280481819 /nfs/dbraw/zinc/48/18/19/1280481819.db2.gz ANVJWAJTUJXMOK-UHFFFAOYSA-N -1 1 344.387 2.143 20 0 EEADMM CCOc1ccnc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190413838 1280890874 /nfs/dbraw/zinc/89/08/74/1280890874.db2.gz GSTJMFCUDAUAOR-UHFFFAOYSA-N -1 1 346.330 2.376 20 0 EEADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)o1 ZINC001191776763 1281585956 /nfs/dbraw/zinc/58/59/56/1281585956.db2.gz MRYJQOYSTRSIOW-UHFFFAOYSA-N -1 1 336.200 2.472 20 0 EEADMM COC(=O)[C@H](COC(C)(C)C)NC(=O)Nc1ccc([O-])c(F)c1F ZINC001191903501 1281697745 /nfs/dbraw/zinc/69/77/45/1281697745.db2.gz QIQRHMZRANKIIV-VIFPVBQESA-N -1 1 346.330 2.149 20 0 EEADMM O=S(=O)([N-]Cc1cccc2nccnc12)C(Cl)(Cl)Cl ZINC001192054789 1281789011 /nfs/dbraw/zinc/78/90/11/1281789011.db2.gz YIBWWFOJVSPJOC-UHFFFAOYSA-N -1 1 340.619 2.377 20 0 EEADMM O=C(Nc1cncc(N2CCOCC2)c1)c1c(F)ccc([O-])c1F ZINC001192525889 1282047505 /nfs/dbraw/zinc/04/75/05/1282047505.db2.gz BQYVMQVLAGCQLH-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM O=C(Nc1cnn2ccc(Cl)nc12)c1c[n-]c(C(F)(F)F)n1 ZINC001194770362 1283297248 /nfs/dbraw/zinc/29/72/48/1283297248.db2.gz HAJFIGVSYBYFPA-UHFFFAOYSA-N -1 1 330.657 2.377 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccncc1 ZINC001195178820 1283469585 /nfs/dbraw/zinc/46/95/85/1283469585.db2.gz BCPHEIDUBKUSAA-MRXNPFEDSA-N -1 1 348.424 2.398 20 0 EEADMM COC[C@H]1COCCC12CCN(C(=O)c1nc(C)ccc1[O-])CC2 ZINC001195324900 1283515561 /nfs/dbraw/zinc/51/55/61/1283515561.db2.gz WGTTYWSUVXAIGO-AWEZNQCLSA-N -1 1 334.416 2.001 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1F ZINC001195796397 1283748836 /nfs/dbraw/zinc/74/88/36/1283748836.db2.gz MVCHJQOAHHNAQB-UHFFFAOYSA-N -1 1 325.317 2.119 20 0 EEADMM COC(=O)CCCCS(=O)(=O)[N-]c1cccc2cc(F)cnc21 ZINC001196958924 1284378760 /nfs/dbraw/zinc/37/87/60/1284378760.db2.gz IOFHNCPDCCDGPN-UHFFFAOYSA-N -1 1 340.376 2.459 20 0 EEADMM Cc1cc(=O)c2ccc([N-]S(=O)(=O)Cc3cccnc3)cc2o1 ZINC001197463689 1284617215 /nfs/dbraw/zinc/61/72/15/1284617215.db2.gz AGTYUOMEHHKHJR-UHFFFAOYSA-N -1 1 330.365 2.438 20 0 EEADMM CC(C)OC(=O)C[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197538402 1284660967 /nfs/dbraw/zinc/66/09/67/1284660967.db2.gz RZNJVBYHSHAXAX-UHFFFAOYSA-N -1 1 340.228 2.364 20 0 EEADMM COc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cnc1Cl ZINC001198746746 1285317073 /nfs/dbraw/zinc/31/70/73/1285317073.db2.gz KKUYHBDPBHTSNE-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM Cn1cnc2cccc(NS(=O)(=O)c3ccccc3C(=O)[O-])c21 ZINC001198782396 1285328346 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NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)cc1 ZINC001259437771 1319572440 /nfs/dbraw/zinc/57/24/40/1319572440.db2.gz ZIDIBYIQGDOMBL-UHFFFAOYSA-N -1 1 342.323 2.188 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1cccc(O)c1)c1cc(Cl)ccc1F ZINC001259460370 1319581574 /nfs/dbraw/zinc/58/15/74/1319581574.db2.gz AZSAEXBEKLHYMF-ZDUSSCGKSA-N -1 1 345.779 2.197 20 0 EEADMM COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)ccn1 ZINC001259460521 1319582535 /nfs/dbraw/zinc/58/25/35/1319582535.db2.gz JVNYBDQDXRZWGN-UHFFFAOYSA-N -1 1 344.795 2.404 20 0 EEADMM COc1ncc(F)cc1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259754495 1319662974 /nfs/dbraw/zinc/66/29/74/1319662974.db2.gz OMGCEJGZQMKFBU-UHFFFAOYSA-N -1 1 328.340 2.353 20 0 EEADMM COc1ccc2nc(Cl)nc(Nc3[n-]c(=O)nc4nc[nH]c43)c2c1 ZINC001159192130 1319669912 /nfs/dbraw/zinc/66/99/12/1319669912.db2.gz JXUFEGRQUXMLGK-UHFFFAOYSA-N -1 1 343.734 2.407 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(OCc3ccccc3)cnn2)[n-]1 ZINC001159198401 1319674584 /nfs/dbraw/zinc/67/45/84/1319674584.db2.gz OOWRUAFNWXOPEJ-UHFFFAOYSA-N -1 1 335.327 2.171 20 0 EEADMM CCn1cc(S(=O)(=O)[N-][C@@H](c2ccc(O)cc2)C(F)(F)F)cn1 ZINC001259841003 1319702324 /nfs/dbraw/zinc/70/23/24/1319702324.db2.gz LTXVGGMGIFDIFJ-LBPRGKRZSA-N -1 1 349.334 2.191 20 0 EEADMM O=S(=O)([N-]Cc1ccc2nnc(-c3ccccc3)n2c1)C(F)F ZINC001259963732 1319758912 /nfs/dbraw/zinc/75/89/12/1319758912.db2.gz MOXJFZMHRNHBLX-UHFFFAOYSA-N -1 1 338.339 2.038 20 0 EEADMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)O)c2)c1 ZINC001260801957 1319979205 /nfs/dbraw/zinc/97/92/05/1319979205.db2.gz RNYPULSCCKYCEP-LLVKDONJSA-N -1 1 334.397 2.499 20 0 EEADMM O=C(NC1CCN(c2nc3nc[nH]c3cc2Cl)CC1)C(F)(F)F ZINC001166894425 1321811443 /nfs/dbraw/zinc/81/14/43/1321811443.db2.gz RJQLXMXHSVICSR-UHFFFAOYSA-N -1 1 347.728 2.259 20 0 EEADMM O=c1cc[nH]cc1[N-]S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC001260891262 1321984257 /nfs/dbraw/zinc/98/42/57/1321984257.db2.gz DWJVAFCIHNQPIM-UHFFFAOYSA-N -1 1 332.303 2.336 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001263768252 1322511977 /nfs/dbraw/zinc/51/19/77/1322511977.db2.gz RDRRIQXAYRQBMH-SCRDCRAPSA-N -1 1 327.409 2.095 20 0 EEADMM CC[C@@H](C)CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1C ZINC001206909873 1323692630 /nfs/dbraw/zinc/69/26/30/1323692630.db2.gz BKJPASNJVVVRSZ-XJKCOSOUSA-N -1 1 346.475 2.432 20 0 EEADMM Cn1cc(Br)cc(NC(=O)c2ccc([O-])cc2F)c1=O ZINC000164617457 1323756443 /nfs/dbraw/zinc/75/64/43/1323756443.db2.gz SSAVZNKROICEMV-UHFFFAOYSA-N -1 1 341.136 2.245 20 0 EEADMM COCCN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H]1CC[C@H](C)C1 ZINC001591428697 1349483596 /nfs/dbraw/zinc/48/35/96/1349483596.db2.gz JKDNIDSLIYKFCN-AAEUAGOBSA-N -1 1 343.435 2.176 20 0 EEADMM COCCN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H]1CC[C@H](C)C1 ZINC001591428697 1349483598 /nfs/dbraw/zinc/48/35/98/1349483598.db2.gz JKDNIDSLIYKFCN-AAEUAGOBSA-N -1 1 343.435 2.176 20 0 EEADMM COCCN(c1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CC[C@@H](C)C1 ZINC001591428699 1349483690 /nfs/dbraw/zinc/48/36/90/1349483690.db2.gz JKDNIDSLIYKFCN-DGCLKSJQSA-N -1 1 343.435 2.176 20 0 EEADMM COCCN(c1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CC[C@@H](C)C1 ZINC001591428699 1349483696 /nfs/dbraw/zinc/48/36/96/1349483696.db2.gz JKDNIDSLIYKFCN-DGCLKSJQSA-N -1 1 343.435 2.176 20 0 EEADMM O=C([O-])c1cc(Cl)cc(Cl)c1N1CCCN(CCO)CC1 ZINC001602265895 1350481631 /nfs/dbraw/zinc/48/16/31/1350481631.db2.gz ZGHPFFXDLDEQSO-UHFFFAOYSA-N -1 1 333.215 2.196 20 0 EEADMM O=C([O-])[C@H](CNS(=O)(=O)c1cc(O)cc(F)c1)C1CCCCC1 ZINC001608539140 1351712565 /nfs/dbraw/zinc/71/25/65/1351712565.db2.gz VLHUVUIJFLRIIF-CQSZACIVSA-N -1 1 345.392 2.091 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001605060167 1351069060 /nfs/dbraw/zinc/06/90/60/1351069060.db2.gz VEIWLWYAATUHGZ-CYBMUJFWSA-N -1 1 347.329 2.043 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001605060167 1351069062 /nfs/dbraw/zinc/06/90/62/1351069062.db2.gz VEIWLWYAATUHGZ-CYBMUJFWSA-N -1 1 347.329 2.043 20 0 EEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001605059497 1351069184 /nfs/dbraw/zinc/06/91/84/1351069184.db2.gz IEWLQIOMKHGUCE-ZDUSSCGKSA-N -1 1 345.794 2.134 20 0 EEADMM COC[C@@H](c1ccc(Cl)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001605059497 1351069188 /nfs/dbraw/zinc/06/91/88/1351069188.db2.gz IEWLQIOMKHGUCE-ZDUSSCGKSA-N -1 1 345.794 2.134 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001605058841 1351068970 /nfs/dbraw/zinc/06/89/70/1351068970.db2.gz GAROIYGPSKZTHF-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001605058841 1351068980 /nfs/dbraw/zinc/06/89/80/1351068980.db2.gz GAROIYGPSKZTHF-CYBMUJFWSA-N -1 1 345.794 2.418 20 0 EEADMM COc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1Br ZINC001605301144 1351130196 /nfs/dbraw/zinc/13/01/96/1351130196.db2.gz LHBPLYKINOOEJC-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1Br ZINC001605301144 1351130199 /nfs/dbraw/zinc/13/01/99/1351130199.db2.gz LHBPLYKINOOEJC-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM CCc1nc(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)sc1C(=O)[O-] ZINC001605854456 1351237427 /nfs/dbraw/zinc/23/74/27/1351237427.db2.gz ZMHHEYSREBSTGJ-WRWORJQWSA-N -1 1 334.401 2.431 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CCCCOc1ccccc1)C[C@@H]2C(=O)[O-] ZINC001608611572 1351725822 /nfs/dbraw/zinc/72/58/22/1351725822.db2.gz UAIFXOFJAMEJNO-NLGTXKQRSA-N -1 1 347.411 2.343 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@H](c2ccccc2F)CC1=O ZINC001608694618 1351743503 /nfs/dbraw/zinc/74/35/03/1351743503.db2.gz MQFVYXGUANZXJT-ZIAGYGMSSA-N -1 1 334.391 2.428 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC001608698242 1351744402 /nfs/dbraw/zinc/74/44/02/1351744402.db2.gz UZEOBWFGKQFHQW-QGZVFWFLSA-N -1 1 330.428 2.367 20 0 EEADMM O=C([O-])c1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)ccn1 ZINC001608836130 1351774954 /nfs/dbraw/zinc/77/49/54/1351774954.db2.gz LRJRESAIMILVFZ-OAHLLOKOSA-N -1 1 345.786 2.220 20 0 EEADMM O=C([O-])c1cc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)on1 ZINC001608844176 1351777155 /nfs/dbraw/zinc/77/71/55/1351777155.db2.gz VVNJJBOOFKCDOD-LBPRGKRZSA-N -1 1 346.261 2.095 20 0 EEADMM O=C([O-])c1cc2cc(NC(=O)C3CN([C@H]4CCOC4)C3)ccc2s1 ZINC001608864849 1351781217 /nfs/dbraw/zinc/78/12/17/1351781217.db2.gz TVVHPHUAISBPDH-ZDUSSCGKSA-N -1 1 346.408 2.259 20 0 EEADMM CC(C)(Oc1ccccc1)C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC001318958158 1332629053 /nfs/dbraw/zinc/62/90/53/1332629053.db2.gz VMEASGUYUYQRFZ-UHFFFAOYSA-N -1 1 341.363 2.344 20 0 EEADMM O=C([O-])c1ccnc(N2CCN(Cc3cccc4cccnc43)CC2)n1 ZINC001608952573 1351801817 /nfs/dbraw/zinc/80/18/17/1351801817.db2.gz BWCKHYDUJKQWCF-UHFFFAOYSA-N -1 1 349.394 2.045 20 0 EEADMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319920111 1332797749 /nfs/dbraw/zinc/79/77/49/1332797749.db2.gz TYMJDTLFOQCTPW-SCZZXKLOSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@@H](Cc1ccccc1)NC(=S)NN=c1[n-]ncc(N)c1Cl ZINC001320937063 1332982999 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CC(C)c1ccc(OCCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001609104881 1351844489 /nfs/dbraw/zinc/84/44/89/1351844489.db2.gz UVZHUCRAMVDPMA-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1ccc(OCCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001609104881 1351844490 /nfs/dbraw/zinc/84/44/90/1351844490.db2.gz UVZHUCRAMVDPMA-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609109617 1351847010 /nfs/dbraw/zinc/84/70/10/1351847010.db2.gz AISLNHKQHPTSOZ-VIFPVBQESA-N -1 1 343.478 2.421 20 0 EEADMM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609109617 1351847012 /nfs/dbraw/zinc/84/70/12/1351847012.db2.gz AISLNHKQHPTSOZ-VIFPVBQESA-N -1 1 343.478 2.421 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609155780 1351866006 /nfs/dbraw/zinc/86/60/06/1351866006.db2.gz TYYYFFQCYAPLBP-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609155780 1351866008 /nfs/dbraw/zinc/86/60/08/1351866008.db2.gz TYYYFFQCYAPLBP-PSASIEDQSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1COCC[C@@H]1CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609177369 1351878191 /nfs/dbraw/zinc/87/81/91/1351878191.db2.gz VDDPHCWKRMWMQX-DTWKUNHWSA-N -1 1 342.325 2.365 20 0 EEADMM C[C@H]1COCC[C@@H]1CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609177369 1351878193 /nfs/dbraw/zinc/87/81/93/1351878193.db2.gz VDDPHCWKRMWMQX-DTWKUNHWSA-N -1 1 342.325 2.365 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609180501 1351878899 /nfs/dbraw/zinc/87/88/99/1351878899.db2.gz OOIOIZYDCBYEPG-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609180501 1351878901 /nfs/dbraw/zinc/87/89/01/1351878901.db2.gz OOIOIZYDCBYEPG-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001609197377 1351885513 /nfs/dbraw/zinc/88/55/13/1351885513.db2.gz ZIEHXYZIRIOQJJ-QWHCGFSZSA-N -1 1 333.392 2.092 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001609197377 1351885519 /nfs/dbraw/zinc/88/55/19/1351885519.db2.gz ZIEHXYZIRIOQJJ-QWHCGFSZSA-N -1 1 333.392 2.092 20 0 EEADMM CCCCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nnn[n-]3)n2)C1(C)C ZINC001609210795 1351894215 /nfs/dbraw/zinc/89/42/15/1351894215.db2.gz PZQYIRAZRYIJLB-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCCCO[C@@H]1C[C@H](OC(=O)c2cccc(-c3nn[n-]n3)n2)C1(C)C ZINC001609210795 1351894218 /nfs/dbraw/zinc/89/42/18/1351894218.db2.gz PZQYIRAZRYIJLB-KGLIPLIRSA-N -1 1 345.403 2.402 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@H]1CSc2ccccc2O1 ZINC001328063963 1334387527 /nfs/dbraw/zinc/38/75/27/1334387527.db2.gz FCTPLKMXIDWFBQ-NSHDSACASA-N -1 1 339.413 2.319 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)nc2ccccc21 ZINC001609408154 1351965244 /nfs/dbraw/zinc/96/52/44/1351965244.db2.gz AKJPWRWRSVKYFH-UHFFFAOYSA-N -1 1 334.339 2.299 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)nc2ccccc21 ZINC001609408154 1351965246 /nfs/dbraw/zinc/96/52/46/1351965246.db2.gz AKJPWRWRSVKYFH-UHFFFAOYSA-N -1 1 334.339 2.299 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)COc1cccc(C)c1 ZINC001609433541 1351975516 /nfs/dbraw/zinc/97/55/16/1351975516.db2.gz KTJQOZLUGBVJGC-LLVKDONJSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)COc1cccc(C)c1 ZINC001609433541 1351975521 /nfs/dbraw/zinc/97/55/21/1351975521.db2.gz KTJQOZLUGBVJGC-LLVKDONJSA-N -1 1 341.371 2.274 20 0 EEADMM Cc1nn(Cc2ccc(C(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC001609459764 1351985734 /nfs/dbraw/zinc/98/57/34/1351985734.db2.gz SXFOARPBWBZSGW-UHFFFAOYSA-N -1 1 332.314 2.026 20 0 EEADMM Cc1nsc(NCc2ccc(OCC3CC3)nc2)c1-c1nn[n-]n1 ZINC001609466084 1351987691 /nfs/dbraw/zinc/98/76/91/1351987691.db2.gz CGDUSXWPSVOMSL-UHFFFAOYSA-N -1 1 343.416 2.428 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2ccoc2C)c1-c1nnn[n-]1 ZINC001609465406 1351987859 /nfs/dbraw/zinc/98/78/59/1351987859.db2.gz TUPGOTNAKMBBBV-UHFFFAOYSA-N -1 1 333.377 2.197 20 0 EEADMM Cc1nsc(NC(=O)N(C)Cc2ccoc2C)c1-c1nn[n-]n1 ZINC001609465406 1351987862 /nfs/dbraw/zinc/98/78/62/1351987862.db2.gz TUPGOTNAKMBBBV-UHFFFAOYSA-N -1 1 333.377 2.197 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2cccc(F)c2C1 ZINC001609467022 1351988812 /nfs/dbraw/zinc/98/88/12/1351988812.db2.gz RFKIOLIDKBGDOX-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2cccc(F)c2C1 ZINC001609467022 1351988814 /nfs/dbraw/zinc/98/88/14/1351988814.db2.gz RFKIOLIDKBGDOX-UHFFFAOYSA-N -1 1 327.319 2.106 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609546011 1352011988 /nfs/dbraw/zinc/01/19/88/1352011988.db2.gz XLUFUBVXVZGWQT-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609546011 1352011990 /nfs/dbraw/zinc/01/19/90/1352011990.db2.gz XLUFUBVXVZGWQT-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NCCOC1CCCCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609550130 1352013812 /nfs/dbraw/zinc/01/38/12/1352013812.db2.gz RIFNMUYXGVXNCQ-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001609581513 1352026483 /nfs/dbraw/zinc/02/64/83/1352026483.db2.gz OWLHFOALPOFWJA-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001609581513 1352026485 /nfs/dbraw/zinc/02/64/85/1352026485.db2.gz OWLHFOALPOFWJA-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM CC[C@@H](CCO)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001337168801 1336656309 /nfs/dbraw/zinc/65/63/09/1336656309.db2.gz CBUPMZZZQKZNKR-QMMMGPOBSA-N -1 1 327.233 2.075 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCCCc1ccsc1 ZINC001338430073 1336859772 /nfs/dbraw/zinc/85/97/72/1336859772.db2.gz GIZBONRJUHKZPB-UHFFFAOYSA-N -1 1 344.440 2.405 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc2ccccc21 ZINC001609869554 1352107477 /nfs/dbraw/zinc/10/74/77/1352107477.db2.gz WLLFJGJOGRPWOB-HNNXBMFYSA-N -1 1 340.423 2.390 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1cccc(C2CC2)c1 ZINC001609870080 1352107642 /nfs/dbraw/zinc/10/76/42/1352107642.db2.gz YLZMWRIRAWULTE-AWEZNQCLSA-N -1 1 330.428 2.114 20 0 EEADMM O=C(OCc1nn[n-]n1)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC001343940660 1337357764 /nfs/dbraw/zinc/35/77/64/1337357764.db2.gz KKTLXANGTGJSRZ-UHFFFAOYSA-N -1 1 338.371 2.147 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@@H](C)c3ccc(F)c(F)c3)nc2n1 ZINC001348041144 1337533874 /nfs/dbraw/zinc/53/38/74/1337533874.db2.gz QCXSPNUPBUVADB-QMMMGPOBSA-N -1 1 347.325 2.000 20 0 EEADMM CCOC(=O)C[C@@H]1CCCN1Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001610016934 1352142061 /nfs/dbraw/zinc/14/20/61/1352142061.db2.gz CZEVXBOFWHHPHD-AWEZNQCLSA-N -1 1 331.372 2.110 20 0 EEADMM CCn1nc(C)c(CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C ZINC001610085675 1352159125 /nfs/dbraw/zinc/15/91/25/1352159125.db2.gz SFEBHUSZLBVBQE-UHFFFAOYSA-N -1 1 341.371 2.276 20 0 EEADMM CCOC(=O)CCNC(=S)Nc1cccc([O-])c1Br ZINC001200175158 1338121050 /nfs/dbraw/zinc/12/10/50/1338121050.db2.gz GZGZWSUNAXHEGV-UHFFFAOYSA-N -1 1 347.234 2.394 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CCC[C@@H](C)CC2)cc(C(=O)[O-])c1 ZINC001610202014 1352184298 /nfs/dbraw/zinc/18/42/98/1352184298.db2.gz BLWGLMMOTVSUDN-GFCCVEGCSA-N -1 1 348.399 2.232 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C1(C)C ZINC001610235366 1352191785 /nfs/dbraw/zinc/19/17/85/1352191785.db2.gz ILJIVLFKEFACEP-TZTCFGBESA-N -1 1 345.399 2.183 20 0 EEADMM COc1ccc(-c2n[nH]c(SCc3oncc3C(=O)[O-])n2)cc1 ZINC001610309456 1352203320 /nfs/dbraw/zinc/20/33/20/1352203320.db2.gz PXYNIBOEFCZRDH-UHFFFAOYSA-N -1 1 332.341 2.459 20 0 EEADMM CCO/C=C\[C@](O)(CNC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000848177648 1338554406 /nfs/dbraw/zinc/55/44/06/1338554406.db2.gz JHFMQLVWXJGIMZ-FWWRYZNZSA-N -1 1 337.269 2.105 20 0 EEADMM CCO/C=C/[C@@](O)(CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000848187432 1338564211 /nfs/dbraw/zinc/56/42/11/1338564211.db2.gz ZVVBNSQGJIGIIX-URWSZGRFSA-N -1 1 337.269 2.105 20 0 EEADMM COc1cccc([C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)N(C)C)c1 ZINC001610354230 1352209739 /nfs/dbraw/zinc/20/97/39/1352209739.db2.gz HNICCXAWZRKUBC-CKEIUWERSA-N -1 1 348.443 2.305 20 0 EEADMM COc1cccc([C@@](C)(CC(=O)[O-])NCC(=O)Nc2nccs2)c1 ZINC001610357822 1352210509 /nfs/dbraw/zinc/21/05/09/1352210509.db2.gz ULOIGYTUMAFTAZ-MRXNPFEDSA-N -1 1 349.412 2.070 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC001610441796 1352222937 /nfs/dbraw/zinc/22/29/37/1352222937.db2.gz NDAXHPGWSXBDMY-HNNXBMFYSA-N -1 1 349.431 2.172 20 0 EEADMM Cc1cc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)nn1C(C)C ZINC001610475442 1352229127 /nfs/dbraw/zinc/22/91/27/1352229127.db2.gz KYMOROLSAGOUMB-UHFFFAOYSA-N -1 1 329.422 2.159 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001610522024 1352237966 /nfs/dbraw/zinc/23/79/66/1352237966.db2.gz MDDKNMUWGUSWHL-MRXNPFEDSA-N -1 1 330.428 2.331 20 0 EEADMM Cc1sc(NC(=O)CN2CCN(C)[C@H](C)[C@H]2C)c(C(=O)[O-])c1C ZINC001610592115 1352250705 /nfs/dbraw/zinc/25/07/05/1352250705.db2.gz RUWONVBWVDBDJX-GHMZBOCLSA-N -1 1 339.461 2.026 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@@H]3CCC[C@@H]3C2=O)C[C@@H]1c1ccccc1 ZINC001610802778 1352277207 /nfs/dbraw/zinc/27/72/07/1352277207.db2.gz VSBDXUAGMMMXDT-MWDXBVQZSA-N -1 1 328.412 2.003 20 0 EEADMM CN(CCNC(=O)CC1(C)CCCCC1)C(=O)c1ncccc1[O-] ZINC001429398211 1339893685 /nfs/dbraw/zinc/89/36/85/1339893685.db2.gz HPHJMSYRLFBCKR-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCCN(CCNC(=O)CCC(F)(F)F)C(=O)c1ncccc1[O-] ZINC001429796676 1340020971 /nfs/dbraw/zinc/02/09/71/1340020971.db2.gz FWURZQJPMATCLF-UHFFFAOYSA-N -1 1 347.337 2.098 20 0 EEADMM CN(CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)c1ncccc1[O-] ZINC001433167999 1341522130 /nfs/dbraw/zinc/52/21/30/1341522130.db2.gz YNSPIIKLHMCYDQ-UONOGXRCSA-N -1 1 347.459 2.390 20 0 EEADMM CN(CC(F)(F)C(F)(F)F)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579022688 1344331114 /nfs/dbraw/zinc/33/11/14/1344331114.db2.gz VRQYAPGRAQAOQD-UHFFFAOYSA-N -1 1 341.265 2.198 20 0 EEADMM CN(Cc1ccco1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001579263180 1344361344 /nfs/dbraw/zinc/36/13/44/1344361344.db2.gz PYROIHNHSIGBCC-UHFFFAOYSA-N -1 1 339.768 2.234 20 0 EEADMM COC(=O)c1c(F)cccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001579478680 1344386754 /nfs/dbraw/zinc/38/67/54/1344386754.db2.gz JFJGNTRYEHZBBL-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(N2Cc3ccccc3[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001579482261 1344388494 /nfs/dbraw/zinc/38/84/94/1344388494.db2.gz AJEFTYVSYSDSRY-JTQLQIEISA-N -1 1 336.355 2.130 20 0 EEADMM COC(=O)c1ccc(N2Cc3ccccc3[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001579482261 1344388495 /nfs/dbraw/zinc/38/84/95/1344388495.db2.gz AJEFTYVSYSDSRY-JTQLQIEISA-N -1 1 336.355 2.130 20 0 EEADMM CO[C@H](Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc(Cl)cc1 ZINC001579596944 1344397886 /nfs/dbraw/zinc/39/78/86/1344397886.db2.gz ZKVRDNLKHFXQEV-CYBMUJFWSA-N -1 1 331.763 2.070 20 0 EEADMM COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC ZINC001580070841 1344464235 /nfs/dbraw/zinc/46/42/35/1344464235.db2.gz FHDFXDCIGYGLEK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC ZINC001580070841 1344464237 /nfs/dbraw/zinc/46/42/37/1344464237.db2.gz FHDFXDCIGYGLEK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ncc(NC(=O)Cc2cc(C)ccc2C)cc1-c1nn[n-]n1 ZINC001580135091 1344478724 /nfs/dbraw/zinc/47/87/24/1344478724.db2.gz UHDDZLPZEWLBLE-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM Cc1ccc(C(C)(C)C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001581174739 1344594706 /nfs/dbraw/zinc/59/47/06/1344594706.db2.gz CQUNCHVQJUXQCK-UHFFFAOYSA-N -1 1 336.399 2.164 20 0 EEADMM Cc1ccc(C(C)(C)C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001581174739 1344594710 /nfs/dbraw/zinc/59/47/10/1344594710.db2.gz CQUNCHVQJUXQCK-UHFFFAOYSA-N -1 1 336.399 2.164 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1csc(-c3nn[n-]n3)c1)CO2 ZINC001581214205 1344599302 /nfs/dbraw/zinc/59/93/02/1344599302.db2.gz AAZMLHIDWOGXRG-LLVKDONJSA-N -1 1 327.369 2.100 20 0 EEADMM Cc1nc(C(C)C)ncc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581436614 1344625313 /nfs/dbraw/zinc/62/53/13/1344625313.db2.gz HABMODUXPHATJE-UHFFFAOYSA-N -1 1 343.416 2.080 20 0 EEADMM Cc1nc(C)c(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001581445140 1344626701 /nfs/dbraw/zinc/62/67/01/1344626701.db2.gz FLMNRPDMALBKCB-UHFFFAOYSA-N -1 1 349.445 2.001 20 0 EEADMM Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)oc2C)[nH]c1C ZINC001581445979 1344627266 /nfs/dbraw/zinc/62/72/66/1344627266.db2.gz KWKPQGWIEYVWLR-LBPRGKRZSA-N -1 1 341.375 2.085 20 0 EEADMM Cc1nc([C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)oc2C)[nH]c1C ZINC001581445979 1344627270 /nfs/dbraw/zinc/62/72/70/1344627270.db2.gz KWKPQGWIEYVWLR-LBPRGKRZSA-N -1 1 341.375 2.085 20 0 EEADMM Cc1nsc(NCCCNC(=O)/C=C/C(C)(C)C)c1-c1nn[n-]n1 ZINC001581715790 1344658080 /nfs/dbraw/zinc/65/80/80/1344658080.db2.gz VLYOBQIARQHVOF-VOTSOKGWSA-N -1 1 349.464 2.152 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccccc1Cl ZINC001582559305 1344763563 /nfs/dbraw/zinc/76/35/63/1344763563.db2.gz PUHPWKGNLUTUOW-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccccc1Cl ZINC001582559305 1344763568 /nfs/dbraw/zinc/76/35/68/1344763568.db2.gz PUHPWKGNLUTUOW-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cc(Cl)ccc1F)CCC2 ZINC001582806465 1344794691 /nfs/dbraw/zinc/79/46/91/1344794691.db2.gz KJZWYKZABGZXPB-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM CN(C(=O)c1ccc2cc(Br)ccc2c1)c1nn[n-]n1 ZINC001587339212 1348860225 /nfs/dbraw/zinc/86/02/25/1348860225.db2.gz CDYBJCKTXOFDRQ-UHFFFAOYSA-N -1 1 332.161 2.392 20 0 EEADMM CC(=Cc1ccncc1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001588772010 1348934137 /nfs/dbraw/zinc/93/41/37/1348934137.db2.gz HKHWGKQQWDIMKG-NTMALXAHSA-N -1 1 326.385 2.043 20 0 EEADMM CC(C)(C)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001589226808 1348972804 /nfs/dbraw/zinc/97/28/04/1348972804.db2.gz DZKCWIYNPNHRKB-UHFFFAOYSA-N -1 1 337.387 2.135 20 0 EEADMM CC(C)(C)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001589226808 1348972807 /nfs/dbraw/zinc/97/28/07/1348972807.db2.gz DZKCWIYNPNHRKB-UHFFFAOYSA-N -1 1 337.387 2.135 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ncn1 ZINC001589460366 1348992499 /nfs/dbraw/zinc/99/24/99/1348992499.db2.gz OYUMFYQUGBXCSU-ZDUSSCGKSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ncn1 ZINC001589460366 1348992501 /nfs/dbraw/zinc/99/25/01/1348992501.db2.gz OYUMFYQUGBXCSU-ZDUSSCGKSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001589550751 1349003465 /nfs/dbraw/zinc/00/34/65/1349003465.db2.gz OTIPESBMVLXMOL-SNVBAGLBSA-N -1 1 347.423 2.247 20 0 EEADMM CC(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589654617 1349016476 /nfs/dbraw/zinc/01/64/76/1349016476.db2.gz YIZSJAGQJAEYLE-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589654617 1349016481 /nfs/dbraw/zinc/01/64/81/1349016481.db2.gz YIZSJAGQJAEYLE-VIFPVBQESA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)N(C)c1ccc(Nc2ncncc2-c2nn[n-]n2)cc1F ZINC001589678729 1349020466 /nfs/dbraw/zinc/02/04/66/1349020466.db2.gz RTWPRDOUSRZGAK-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccccn1 ZINC001589938316 1349069033 /nfs/dbraw/zinc/06/90/33/1349069033.db2.gz XRQOKOWYZXWHGJ-JTQLQIEISA-N -1 1 333.355 2.234 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cnn(C2CCC2)c1 ZINC001589976931 1349088457 /nfs/dbraw/zinc/08/84/57/1349088457.db2.gz QCXHQSKSEPAYPO-VIFPVBQESA-N -1 1 330.421 2.096 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cnn(C2CCC2)c1 ZINC001589976931 1349088464 /nfs/dbraw/zinc/08/84/64/1349088464.db2.gz QCXHQSKSEPAYPO-VIFPVBQESA-N -1 1 330.421 2.096 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cc(Cl)cc2c1OCC2 ZINC001589987487 1349094294 /nfs/dbraw/zinc/09/42/94/1349094294.db2.gz LYMSLEOZMQFHFJ-MRVPVSSYSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cc(Cl)cc2c1OCC2 ZINC001589987487 1349094296 /nfs/dbraw/zinc/09/42/96/1349094296.db2.gz LYMSLEOZMQFHFJ-MRVPVSSYSA-N -1 1 343.778 2.418 20 0 EEADMM CC1(C)CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590095532 1349152947 /nfs/dbraw/zinc/15/29/47/1349152947.db2.gz LNAQDHWFMOBDTO-VIFPVBQESA-N -1 1 334.811 2.471 20 0 EEADMM CC1(C2CC2)CCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001590122043 1349163891 /nfs/dbraw/zinc/16/38/91/1349163891.db2.gz LTAMQXLGBQXUSN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM CC1(C2CC2)CCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001590122043 1349163894 /nfs/dbraw/zinc/16/38/94/1349163894.db2.gz LTAMQXLGBQXUSN-UHFFFAOYSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1CC(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590186236 1349187151 /nfs/dbraw/zinc/18/71/51/1349187151.db2.gz AZSJXVYLZFGPRT-RKDXNWHRSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001590195533 1349194446 /nfs/dbraw/zinc/19/44/46/1349194446.db2.gz XETKGEWASOZOLV-UWVGGRQHSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001590195533 1349194452 /nfs/dbraw/zinc/19/44/52/1349194452.db2.gz XETKGEWASOZOLV-UWVGGRQHSA-N -1 1 349.464 2.337 20 0 EEADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@H]1C ZINC001590245377 1349223531 /nfs/dbraw/zinc/22/35/31/1349223531.db2.gz VUFYFPVGMBACAR-WCABBAIRSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@H]1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C ZINC001590266567 1349239268 /nfs/dbraw/zinc/23/92/68/1349239268.db2.gz DHZCTRFPFKITIY-NKWVEPMBSA-N -1 1 341.828 2.486 20 0 EEADMM C[C@@H]1COc2ccccc2N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590329812 1349267711 /nfs/dbraw/zinc/26/77/11/1349267711.db2.gz RYRAMVULVIUYKO-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM C[C@@H]1COc2ccccc2N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590329812 1349267715 /nfs/dbraw/zinc/26/77/15/1349267715.db2.gz RYRAMVULVIUYKO-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM C[C@H]1c2cc(F)cc(F)c2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590339206 1349275710 /nfs/dbraw/zinc/27/57/10/1349275710.db2.gz WNXBDVFAWLVEQV-QMMMGPOBSA-N -1 1 329.314 2.059 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590343737 1349277200 /nfs/dbraw/zinc/27/72/00/1349277200.db2.gz POIVZORUXQNQFM-SECBINFHSA-N -1 1 341.400 2.474 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590343737 1349277208 /nfs/dbraw/zinc/27/72/08/1349277208.db2.gz POIVZORUXQNQFM-SECBINFHSA-N -1 1 341.400 2.474 20 0 EEADMM CC[C@H](C)CC(=O)NC/C=C\CNc1snc(C)c1-c1nn[n-]n1 ZINC001590404736 1349306486 /nfs/dbraw/zinc/30/64/86/1349306486.db2.gz YOIWNIZDWKWCHK-OMMCCPJFSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](COC(=O)c1cccc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001590449027 1349330003 /nfs/dbraw/zinc/33/00/03/1349330003.db2.gz OUJYLGHJNUQZKD-MRVPVSSYSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@@H](COC(=O)c1cccc(-c2nn[n-]n2)n1)CC(F)(F)F ZINC001590449027 1349330008 /nfs/dbraw/zinc/33/00/08/1349330008.db2.gz OUJYLGHJNUQZKD-MRVPVSSYSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@@H](COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)OC ZINC001590449868 1349330156 /nfs/dbraw/zinc/33/01/56/1349330156.db2.gz XJPYIQTVEFHUPV-NSHDSACASA-N -1 1 345.359 2.141 20 0 EEADMM CC[C@@H](COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)OC ZINC001590449868 1349330160 /nfs/dbraw/zinc/33/01/60/1349330160.db2.gz XJPYIQTVEFHUPV-NSHDSACASA-N -1 1 345.359 2.141 20 0 EEADMM CC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccc(OC)c(OC)c1 ZINC001590472248 1349346144 /nfs/dbraw/zinc/34/61/44/1349346144.db2.gz CMFVCDOBFNGMFC-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccc(OC)c(OC)c1 ZINC001590472248 1349346151 /nfs/dbraw/zinc/34/61/51/1349346151.db2.gz CMFVCDOBFNGMFC-NSHDSACASA-N -1 1 341.375 2.237 20 0 EEADMM CCC1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001590496575 1349356284 /nfs/dbraw/zinc/35/62/84/1349356284.db2.gz REJIPTXNGVWOHN-UHFFFAOYSA-N -1 1 334.351 2.369 20 0 EEADMM CCC1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001590496575 1349356289 /nfs/dbraw/zinc/35/62/89/1349356289.db2.gz REJIPTXNGVWOHN-UHFFFAOYSA-N -1 1 334.351 2.369 20 0 EEADMM CCC[C@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CCC1 ZINC001590558509 1349371134 /nfs/dbraw/zinc/37/11/34/1349371134.db2.gz DFWCEUZQDZPZHJ-JTQLQIEISA-N -1 1 341.462 2.175 20 0 EEADMM CCCCn1ncc(NC(=O)c2ccsc2-c2nnn[n-]2)c1C ZINC001590615972 1349376765 /nfs/dbraw/zinc/37/67/65/1349376765.db2.gz KVFLAKWKCGICEF-UHFFFAOYSA-N -1 1 331.405 2.486 20 0 EEADMM CCCCn1ncc(NC(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001590615972 1349376772 /nfs/dbraw/zinc/37/67/72/1349376772.db2.gz KVFLAKWKCGICEF-UHFFFAOYSA-N -1 1 331.405 2.486 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C12CCCC2 ZINC001590790576 1349400602 /nfs/dbraw/zinc/40/06/02/1349400602.db2.gz DOGVRKTVBOSBPD-CABCVRRESA-N -1 1 328.420 2.142 20 0 EEADMM CCO[C@H]1C[C@@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C12CCCC2 ZINC001590790576 1349400607 /nfs/dbraw/zinc/40/06/07/1349400607.db2.gz DOGVRKTVBOSBPD-CABCVRRESA-N -1 1 328.420 2.142 20 0 EEADMM CCc1nc(NCC[C@@H]2CCC(C)(C)CO2)cc(-c2nnn[n-]2)n1 ZINC001590919546 1349413230 /nfs/dbraw/zinc/41/32/30/1349413230.db2.gz LPFZCKZAISSIJE-NSHDSACASA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(NCC[C@@H]2CCC(C)(C)CO2)cc(-c2nn[n-]n2)n1 ZINC001590919546 1349413239 /nfs/dbraw/zinc/41/32/39/1349413239.db2.gz LPFZCKZAISSIJE-NSHDSACASA-N -1 1 331.424 2.226 20 0 EEADMM CCc1nc(Oc2ccc(OCC(C)C)nc2)cc(-c2nnn[n-]2)n1 ZINC001590924307 1349414173 /nfs/dbraw/zinc/41/41/73/1349414173.db2.gz BLQKVUXQSZVEGJ-UHFFFAOYSA-N -1 1 341.375 2.441 20 0 EEADMM CCc1nc(Oc2ccc(OCC(C)C)nc2)cc(-c2nn[n-]n2)n1 ZINC001590924307 1349414183 /nfs/dbraw/zinc/41/41/83/1349414183.db2.gz BLQKVUXQSZVEGJ-UHFFFAOYSA-N -1 1 341.375 2.441 20 0 EEADMM CCc1ncnc(NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1F ZINC001590927829 1349416188 /nfs/dbraw/zinc/41/61/88/1349416188.db2.gz MIVIQZXDQILBOA-UHFFFAOYSA-N -1 1 335.293 2.249 20 0 EEADMM CCc1ncnc(NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1F ZINC001590927829 1349416191 /nfs/dbraw/zinc/41/61/91/1349416191.db2.gz MIVIQZXDQILBOA-UHFFFAOYSA-N -1 1 335.293 2.249 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591153107 1349442332 /nfs/dbraw/zinc/44/23/32/1349442332.db2.gz XKFJHEGXTYLOLK-UHFFFAOYSA-N -1 1 346.807 2.489 20 0 EEADMM COC(=O)c1csc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1C ZINC001591308079 1349460151 /nfs/dbraw/zinc/46/01/51/1349460151.db2.gz YESDYWCHUXFRMS-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591336453 1349463177 /nfs/dbraw/zinc/46/31/77/1349463177.db2.gz RMOACBIORCDOCB-RFAUZJTJSA-N -1 1 343.366 2.292 20 0 EEADMM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591336453 1349463181 /nfs/dbraw/zinc/46/31/81/1349463181.db2.gz RMOACBIORCDOCB-RFAUZJTJSA-N -1 1 343.366 2.292 20 0 EEADMM COC1CCC(CCNC(=O)c2cc(-c3nnn[n-]3)oc2C)CC1 ZINC001591350973 1349468296 /nfs/dbraw/zinc/46/82/96/1349468296.db2.gz DKGRGCGWGDGPMU-UHFFFAOYSA-N -1 1 333.392 2.093 20 0 EEADMM COC1CCC(CCNC(=O)c2cc(-c3nn[n-]n3)oc2C)CC1 ZINC001591350973 1349468302 /nfs/dbraw/zinc/46/83/02/1349468302.db2.gz DKGRGCGWGDGPMU-UHFFFAOYSA-N -1 1 333.392 2.093 20 0 EEADMM COCC(C)(C)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001591368775 1349472681 /nfs/dbraw/zinc/47/26/81/1349472681.db2.gz DHUHOMDIUIBVTQ-UHFFFAOYSA-N -1 1 345.382 2.276 20 0 EEADMM COC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001591382444 1349475794 /nfs/dbraw/zinc/47/57/94/1349475794.db2.gz IVRQMJUBASEGPX-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001591382444 1349475798 /nfs/dbraw/zinc/47/57/98/1349475798.db2.gz IVRQMJUBASEGPX-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM COCC[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccco1 ZINC001591399549 1349481688 /nfs/dbraw/zinc/48/16/88/1349481688.db2.gz CTACHSPGTPEBIR-JTQLQIEISA-N -1 1 333.373 2.029 20 0 EEADMM COc1c(C)cnc(CN(C)c2ccc(C)c(-c3nn[n-]n3)n2)c1C ZINC001591480194 1349490856 /nfs/dbraw/zinc/49/08/56/1349490856.db2.gz ZDMMXQZHDHIMQB-UHFFFAOYSA-N -1 1 339.403 2.227 20 0 EEADMM COc1ccc(OCCN(C)c2ccc(C)c(-c3nnn[n-]3)n2)cc1 ZINC001591620611 1349517433 /nfs/dbraw/zinc/51/74/33/1349517433.db2.gz HGTSBZJSTPULFK-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1ccc(OCCN(C)c2ccc(C)c(-c3nn[n-]n3)n2)cc1 ZINC001591620611 1349517436 /nfs/dbraw/zinc/51/74/36/1349517436.db2.gz HGTSBZJSTPULFK-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001591643498 1349520086 /nfs/dbraw/zinc/52/00/86/1349520086.db2.gz MMZAPODOPLQIRG-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC001591643498 1349520091 /nfs/dbraw/zinc/52/00/91/1349520091.db2.gz MMZAPODOPLQIRG-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1cccc(OCCOC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001591641922 1349520228 /nfs/dbraw/zinc/52/02/28/1349520228.db2.gz GBNXRVUQMNYRCI-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM COc1cccc(OCCOC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001591641922 1349520236 /nfs/dbraw/zinc/52/02/36/1349520236.db2.gz GBNXRVUQMNYRCI-UHFFFAOYSA-N -1 1 344.327 2.013 20 0 EEADMM COc1ccccc1CN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001591652721 1349525722 /nfs/dbraw/zinc/52/57/22/1349525722.db2.gz CXQCYCOEOKMKPF-UHFFFAOYSA-N -1 1 341.346 2.287 20 0 EEADMM COc1ccccc1CN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001591652721 1349525733 /nfs/dbraw/zinc/52/57/33/1349525733.db2.gz CXQCYCOEOKMKPF-UHFFFAOYSA-N -1 1 341.346 2.287 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccc(F)cc1C ZINC001591992321 1349578601 /nfs/dbraw/zinc/57/86/01/1349578601.db2.gz KEEOTNCPRYTQOX-UHFFFAOYSA-N -1 1 329.335 2.188 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccc(F)cc1C ZINC001591992321 1349578603 /nfs/dbraw/zinc/57/86/03/1349578603.db2.gz KEEOTNCPRYTQOX-UHFFFAOYSA-N -1 1 329.335 2.188 20 0 EEADMM Cc1ccc2c(c1C)OC[C@@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001592204924 1349608666 /nfs/dbraw/zinc/60/86/66/1349608666.db2.gz LWFZYEUTIXLIRX-NSHDSACASA-N -1 1 328.401 2.163 20 0 EEADMM Cc1ccc2c(c1C)OC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001592204924 1349608675 /nfs/dbraw/zinc/60/86/75/1349608675.db2.gz LWFZYEUTIXLIRX-NSHDSACASA-N -1 1 328.401 2.163 20 0 EEADMM Cc1ccn(-c2cccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)c2)n1 ZINC001592263594 1349615022 /nfs/dbraw/zinc/61/50/22/1349615022.db2.gz FJTNJVCUVOSFOR-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccn(-c2cccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)c2)n1 ZINC001592263594 1349615025 /nfs/dbraw/zinc/61/50/25/1349615025.db2.gz FJTNJVCUVOSFOR-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccccc1O[C@H](C)CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592384285 1349626063 /nfs/dbraw/zinc/62/60/63/1349626063.db2.gz JIEANAMQAWVXQA-LLVKDONJSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1ccccc1O[C@H](C)CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592384285 1349626066 /nfs/dbraw/zinc/62/60/66/1349626066.db2.gz JIEANAMQAWVXQA-LLVKDONJSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1nc(N[C@@H]2CCCc3cn(C(C)C)nc32)cc(-c2nnn[n-]2)n1 ZINC001592383636 1349626078 /nfs/dbraw/zinc/62/60/78/1349626078.db2.gz DHDIFEJDKQOJAH-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1nc(N[C@@H]2CCCc3cn(C(C)C)nc32)cc(-c2nn[n-]n2)n1 ZINC001592383636 1349626086 /nfs/dbraw/zinc/62/60/86/1349626086.db2.gz DHDIFEJDKQOJAH-GFCCVEGCSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1nc(NCc2nc(C(C)(C)C)cs2)cc(-c2nnn[n-]2)n1 ZINC001592394784 1349627088 /nfs/dbraw/zinc/62/70/88/1349627088.db2.gz ZGXDOGFJPFKZQZ-UHFFFAOYSA-N -1 1 330.421 2.331 20 0 EEADMM Cc1nc(NCc2nc(C(C)(C)C)cs2)cc(-c2nn[n-]n2)n1 ZINC001592394784 1349627091 /nfs/dbraw/zinc/62/70/91/1349627091.db2.gz ZGXDOGFJPFKZQZ-UHFFFAOYSA-N -1 1 330.421 2.331 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H](CCF)C2)c1-c1nnn[n-]1 ZINC001592479778 1349635899 /nfs/dbraw/zinc/63/58/99/1349635899.db2.gz FEYFRHNHUMPPNO-SECBINFHSA-N -1 1 339.400 2.235 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H](CCF)C2)c1-c1nn[n-]n1 ZINC001592479778 1349635901 /nfs/dbraw/zinc/63/59/01/1349635901.db2.gz FEYFRHNHUMPPNO-SECBINFHSA-N -1 1 339.400 2.235 20 0 EEADMM Cc1nsc(NC(=O)c2csc(C(C)C)n2)c1-c1nnn[n-]1 ZINC001592482302 1349636484 /nfs/dbraw/zinc/63/64/84/1349636484.db2.gz CSYQZKHMQGLYIS-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Cc1nsc(NC(=O)c2csc(C(C)C)n2)c1-c1nn[n-]n1 ZINC001592482302 1349636485 /nfs/dbraw/zinc/63/64/85/1349636485.db2.gz CSYQZKHMQGLYIS-UHFFFAOYSA-N -1 1 335.418 2.464 20 0 EEADMM Clc1ccc(N2CCC[C@@H](OCC3CC3)C2)nc1-c1nnn[n-]1 ZINC001592531960 1349649248 /nfs/dbraw/zinc/64/92/48/1349649248.db2.gz CZCYPXZUUZJZBW-LLVKDONJSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCC[C@@H](OCC3CC3)C2)nc1-c1nn[n-]n1 ZINC001592531960 1349649249 /nfs/dbraw/zinc/64/92/49/1349649249.db2.gz CZCYPXZUUZJZBW-LLVKDONJSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592532117 1349649311 /nfs/dbraw/zinc/64/93/11/1349649311.db2.gz HCUPFABHBYBZKE-VXGBXAGGSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592532117 1349649312 /nfs/dbraw/zinc/64/93/12/1349649312.db2.gz HCUPFABHBYBZKE-VXGBXAGGSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1nc(N2CCC[C@@H]2[C@H]2CCCO2)sc1-c1nnn[n-]1 ZINC001592540406 1349653155 /nfs/dbraw/zinc/65/31/55/1349653155.db2.gz KEGUQKSJFSMQQV-HTQZYQBOSA-N -1 1 326.813 2.124 20 0 EEADMM Clc1nc(N2CCC[C@@H]2[C@H]2CCCO2)sc1-c1nn[n-]n1 ZINC001592540406 1349653156 /nfs/dbraw/zinc/65/31/56/1349653156.db2.gz KEGUQKSJFSMQQV-HTQZYQBOSA-N -1 1 326.813 2.124 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc3ccc(F)cc3s2)n1 ZINC001592560430 1349657384 /nfs/dbraw/zinc/65/73/84/1349657384.db2.gz BGSNDAWJUNDSHI-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc3ccc(F)cc3s2)n1 ZINC001592560430 1349657386 /nfs/dbraw/zinc/65/73/86/1349657386.db2.gz BGSNDAWJUNDSHI-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC001592622357 1349676434 /nfs/dbraw/zinc/67/64/34/1349676434.db2.gz DQFBVDAVWYYCEE-MWLCHTKSSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC001592622357 1349676441 /nfs/dbraw/zinc/67/64/41/1349676441.db2.gz DQFBVDAVWYYCEE-MWLCHTKSSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC001592622356 1349676968 /nfs/dbraw/zinc/67/69/68/1349676968.db2.gz DQFBVDAVWYYCEE-KOLCDFICSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC001592622356 1349676971 /nfs/dbraw/zinc/67/69/71/1349676971.db2.gz DQFBVDAVWYYCEE-KOLCDFICSA-N -1 1 340.309 2.260 20 0 EEADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592950144 1349729028 /nfs/dbraw/zinc/72/90/28/1349729028.db2.gz UCYDFQDGEDXEPH-LLVKDONJSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592950144 1349729033 /nfs/dbraw/zinc/72/90/33/1349729033.db2.gz UCYDFQDGEDXEPH-LLVKDONJSA-N -1 1 340.309 2.113 20 0 EEADMM O=C(NC1(C(F)(F)F)CC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592955635 1349729216 /nfs/dbraw/zinc/72/92/16/1349729216.db2.gz VEVZNWGGXUYATL-UHFFFAOYSA-N -1 1 336.277 2.173 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)s1 ZINC001592950063 1349729560 /nfs/dbraw/zinc/72/95/60/1349729560.db2.gz ROWADCTWDARCGJ-ZWNOBZJWSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)s1 ZINC001592950063 1349729564 /nfs/dbraw/zinc/72/95/64/1349729564.db2.gz ROWADCTWDARCGJ-ZWNOBZJWSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592978258 1349731475 /nfs/dbraw/zinc/73/14/75/1349731475.db2.gz MMEYNDWZRSDSQO-CABCVRRESA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592978258 1349731476 /nfs/dbraw/zinc/73/14/76/1349731476.db2.gz MMEYNDWZRSDSQO-CABCVRRESA-N -1 1 348.410 2.403 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001593147246 1349742261 /nfs/dbraw/zinc/74/22/61/1349742261.db2.gz HMANHHCKYVDKAH-QLFBSQMISA-N -1 1 340.431 2.484 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001593147246 1349742265 /nfs/dbraw/zinc/74/22/65/1349742265.db2.gz HMANHHCKYVDKAH-QLFBSQMISA-N -1 1 340.431 2.484 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001593244295 1349748377 /nfs/dbraw/zinc/74/83/77/1349748377.db2.gz WQYUXVHHUFPHKK-AUUYWEPGSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001593244295 1349748383 /nfs/dbraw/zinc/74/83/83/1349748383.db2.gz WQYUXVHHUFPHKK-AUUYWEPGSA-N -1 1 346.394 2.494 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593243870 1349748599 /nfs/dbraw/zinc/74/85/99/1349748599.db2.gz JZFOEHOPVLIWRA-VXGBXAGGSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001593243870 1349748600 /nfs/dbraw/zinc/74/86/00/1349748600.db2.gz JZFOEHOPVLIWRA-VXGBXAGGSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1ccc2c(c1)CCCC2=O ZINC001593302141 1349774129 /nfs/dbraw/zinc/77/41/29/1349774129.db2.gz VKWQKYVBCFMHHW-UHFFFAOYSA-N -1 1 349.350 2.138 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1ccc2c(c1)CCCC2=O ZINC001593302141 1349774131 /nfs/dbraw/zinc/77/41/31/1349774131.db2.gz VKWQKYVBCFMHHW-UHFFFAOYSA-N -1 1 349.350 2.138 20 0 EEADMM O=C(Oc1cnn(-c2ccccc2)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593309409 1349777605 /nfs/dbraw/zinc/77/76/05/1349777605.db2.gz FEFSUFBEMVIUEN-UHFFFAOYSA-N -1 1 338.352 2.333 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC([C@H]2CCCO2)CC1 ZINC001593349603 1349788577 /nfs/dbraw/zinc/78/85/77/1349788577.db2.gz FCEVIEZPVWCDPJ-CQSZACIVSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC([C@H]2CCCO2)CC1 ZINC001593349603 1349788580 /nfs/dbraw/zinc/78/85/80/1349788580.db2.gz FCEVIEZPVWCDPJ-CQSZACIVSA-N -1 1 345.378 2.037 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593360707 1349790902 /nfs/dbraw/zinc/79/09/02/1349790902.db2.gz ADNGRIAZZXMESD-YVEFUNNKSA-N -1 1 337.408 2.342 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001593360707 1349790905 /nfs/dbraw/zinc/79/09/05/1349790905.db2.gz ADNGRIAZZXMESD-YVEFUNNKSA-N -1 1 337.408 2.342 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCSC2(CCC2)CC1 ZINC001593370361 1349791433 /nfs/dbraw/zinc/79/14/33/1349791433.db2.gz YIZFCFQEURWLTP-UHFFFAOYSA-N -1 1 335.458 2.430 20 0 EEADMM c1c(N[C@H](C2CC2)[C@H]2CCCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543559 1349838371 /nfs/dbraw/zinc/83/83/71/1349838371.db2.gz SZMHZGXCPWNBCW-SWLSCSKDSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@H](C2CC2)[C@H]2CCCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543559 1349838376 /nfs/dbraw/zinc/83/83/76/1349838376.db2.gz SZMHZGXCPWNBCW-SWLSCSKDSA-N -1 1 341.419 2.151 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001593550182 1349843636 /nfs/dbraw/zinc/84/36/36/1349843636.db2.gz OBGJDABLIZFOOI-CQSZACIVSA-N -1 1 328.420 2.295 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC001593550182 1349843639 /nfs/dbraw/zinc/84/36/39/1349843639.db2.gz OBGJDABLIZFOOI-CQSZACIVSA-N -1 1 328.420 2.295 20 0 EEADMM c1csc(CC2CCN(c3ccnc(-c4nnn[n-]4)c3)CC2)n1 ZINC001593557019 1349847230 /nfs/dbraw/zinc/84/72/30/1349847230.db2.gz CCFCRMJSAZCYGT-UHFFFAOYSA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(CC2CCN(c3ccnc(-c4nn[n-]n4)c3)CC2)n1 ZINC001593557019 1349847232 /nfs/dbraw/zinc/84/72/32/1349847232.db2.gz CCFCRMJSAZCYGT-UHFFFAOYSA-N -1 1 327.417 2.177 20 0 EEADMM c1ccc(C2CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)CC2)nc1 ZINC001593574066 1349858421 /nfs/dbraw/zinc/85/84/21/1349858421.db2.gz WOTBPBQTUINHIW-UHFFFAOYSA-N -1 1 348.414 2.313 20 0 EEADMM c1ccc(C2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)CC2)nc1 ZINC001593574066 1349858425 /nfs/dbraw/zinc/85/84/25/1349858425.db2.gz WOTBPBQTUINHIW-UHFFFAOYSA-N -1 1 348.414 2.313 20 0 EEADMM Cc1cc(CC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)n[nH]1 ZINC001600186985 1349988173 /nfs/dbraw/zinc/98/81/73/1349988173.db2.gz DKXSRGRSVGKPTK-UHFFFAOYSA-N -1 1 339.298 2.241 20 0 EEADMM Cc1cc(CN[C@H]2CCN(c3ccccc3F)C2=O)[nH]c1C(=O)[O-] ZINC001600204230 1349992468 /nfs/dbraw/zinc/99/24/68/1349992468.db2.gz DDXDMQXCQYXQTQ-ZDUSSCGKSA-N -1 1 331.347 2.056 20 0 EEADMM Cc1ccc(-c2cc(C(=O)[O-])nn2CCCN2CCOCC2)cc1 ZINC001600312558 1350017485 /nfs/dbraw/zinc/01/74/85/1350017485.db2.gz GHFKBPBEHPWVDY-UHFFFAOYSA-N -1 1 329.400 2.279 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)/C=C/C(=O)[O-])n2)cc1 ZINC001600320027 1350019327 /nfs/dbraw/zinc/01/93/27/1350019327.db2.gz PTZNZMLXDNXNSI-AYLMVEPYSA-N -1 1 346.412 2.018 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc(C2CC2)n[nH]1 ZINC001600358241 1350029059 /nfs/dbraw/zinc/02/90/59/1350029059.db2.gz UWGUJCJYUMJJLK-UHFFFAOYSA-N -1 1 332.385 2.420 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1n[nH]c(C2CC2)n1 ZINC001600358241 1350029064 /nfs/dbraw/zinc/02/90/64/1350029064.db2.gz UWGUJCJYUMJJLK-UHFFFAOYSA-N -1 1 332.385 2.420 20 0 EEADMM Cc1ccc([C@@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001600393641 1350038693 /nfs/dbraw/zinc/03/86/93/1350038693.db2.gz AEURAMREACIPDF-IAGOWNOFSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccc([C@H]2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001600393642 1350038807 /nfs/dbraw/zinc/03/88/07/1350038807.db2.gz AEURAMREACIPDF-IRXDYDNUSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1ccc2cc(Cl)cc(C(=O)N3CCN(CC(=O)[O-])CC3)c2n1 ZINC001600499935 1350067122 /nfs/dbraw/zinc/06/71/22/1350067122.db2.gz KEZOZBLIFRFDFH-UHFFFAOYSA-N -1 1 347.802 2.039 20 0 EEADMM Cc1cccc(NC(=O)NC(=O)CN2CCC(CC(=O)[O-])CC2)c1C ZINC001600540320 1350077093 /nfs/dbraw/zinc/07/70/93/1350077093.db2.gz DUWVRILUPZFXDI-UHFFFAOYSA-N -1 1 347.415 2.138 20 0 EEADMM Cc1cnc(CN2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cn1 ZINC001600620718 1350099572 /nfs/dbraw/zinc/09/95/72/1350099572.db2.gz PEJSLAVIOCZETM-LSDHHAIUSA-N -1 1 333.338 2.363 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@H](C(=O)[O-])c3cccc(O)c3)c2[nH]1 ZINC001600721704 1350121226 /nfs/dbraw/zinc/12/12/26/1350121226.db2.gz YQMUQFCKKDHJIF-AWEZNQCLSA-N -1 1 325.324 2.133 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN1CCC(OC(=O)N(C)C)CC1 ZINC001600868269 1350156665 /nfs/dbraw/zinc/15/66/65/1350156665.db2.gz UVEJXFQCJJCNAO-UHFFFAOYSA-N -1 1 326.418 2.417 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@@H]2CCC3(COC3)O2)nc1C(=O)[O-] ZINC001600882017 1350159313 /nfs/dbraw/zinc/15/93/13/1350159313.db2.gz HUKJFRQMSHETOP-RYUDHWBXSA-N -1 1 338.429 2.235 20 0 EEADMM N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001601175944 1350225930 /nfs/dbraw/zinc/22/59/30/1350225930.db2.gz KLTJBFSQLSGYMX-XJKSGUPXSA-N -1 1 343.427 2.141 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC001601311115 1350254490 /nfs/dbraw/zinc/25/44/90/1350254490.db2.gz SZCTWGKZHFPEJJ-NEPJUHHUSA-N -1 1 338.429 2.133 20 0 EEADMM O=C([O-])c1cnc(Cl)c(NC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC001601583703 1350312800 /nfs/dbraw/zinc/31/28/00/1350312800.db2.gz BMXDKNISHDQVPR-VIFPVBQESA-N -1 1 335.751 2.355 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H]2C(=O)[O-] ZINC001601781338 1350363461 /nfs/dbraw/zinc/36/34/61/1350363461.db2.gz OGPKATSHYUPNRN-YZKWQOGNSA-N -1 1 341.766 2.477 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCCN2CCCC[C@H]2C2OCCO2)cc1 ZINC001601882149 1350389420 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/nfs/dbraw/zinc/28/74/03/1351287403.db2.gz ZDFXDCFACFOFBT-UHFFFAOYSA-N -1 1 338.396 2.392 20 0 EEADMM FC(F)(F)c1sccc1CNc1nccnc1-c1nnn[n-]1 ZINC001606296503 1351290012 /nfs/dbraw/zinc/29/00/12/1351290012.db2.gz KOFINPQFAPWSLG-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM FC(F)(F)c1sccc1CNc1nccnc1-c1nn[n-]n1 ZINC001606296503 1351290016 /nfs/dbraw/zinc/29/00/16/1351290016.db2.gz KOFINPQFAPWSLG-UHFFFAOYSA-N -1 1 327.295 2.349 20 0 EEADMM Fc1cccc(F)c1N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001606328079 1351293590 /nfs/dbraw/zinc/29/35/90/1351293590.db2.gz DTIWEUCEYBKSBS-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM Fc1cccc(F)c1N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001606328079 1351293592 /nfs/dbraw/zinc/29/35/92/1351293592.db2.gz DTIWEUCEYBKSBS-UHFFFAOYSA-N -1 1 346.341 2.060 20 0 EEADMM COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1CC[C@H](C)OCc1ccccc1 ZINC001606386404 1351299877 /nfs/dbraw/zinc/29/98/77/1351299877.db2.gz OGYPOKFJBZAUTK-UAGQMJEPSA-N -1 1 349.427 2.320 20 0 EEADMM O=C(C[C@@H]1CCCC1(F)F)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606499547 1351312500 /nfs/dbraw/zinc/31/25/00/1351312500.db2.gz OWEGWDWZDJRCDY-QMMMGPOBSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606509276 1351314226 /nfs/dbraw/zinc/31/42/26/1351314226.db2.gz LUDVYLLIQPEXNF-QMMMGPOBSA-N -1 1 342.186 2.485 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(F)c(F)c(F)c1 ZINC001606830455 1351363521 /nfs/dbraw/zinc/36/35/21/1351363521.db2.gz DLYRZSUQQIMJSQ-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(NCc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)o1 ZINC001606839567 1351365277 /nfs/dbraw/zinc/36/52/77/1351365277.db2.gz KYUNVCIDGPGONL-UHFFFAOYSA-N -1 1 339.355 2.179 20 0 EEADMM O=C(NCc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)o1 ZINC001606839567 1351365279 /nfs/dbraw/zinc/36/52/79/1351365279.db2.gz KYUNVCIDGPGONL-UHFFFAOYSA-N -1 1 339.355 2.179 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1[nH]c2ccc(F)cc2c1Cl ZINC001606892930 1351370745 /nfs/dbraw/zinc/37/07/45/1351370745.db2.gz AHLHEIJGXSWKDD-UHFFFAOYSA-N -1 1 346.713 2.116 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1[nH]c2ccc(F)cc2c1Cl ZINC001606892930 1351370749 /nfs/dbraw/zinc/37/07/49/1351370749.db2.gz AHLHEIJGXSWKDD-UHFFFAOYSA-N -1 1 346.713 2.116 20 0 EEADMM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1ccc(-c2nn[n-]n2)o1 ZINC001606905589 1351373425 /nfs/dbraw/zinc/37/34/25/1351373425.db2.gz XUPYTQLKNSFQNC-UHFFFAOYSA-N -1 1 349.354 2.220 20 0 EEADMM O=C(Nc1ccc(O)cc1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606923937 1351377045 /nfs/dbraw/zinc/37/70/45/1351377045.db2.gz ZFWYEVPBGPEAEN-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(Nc1ccc(O)cc1F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606923937 1351377047 /nfs/dbraw/zinc/37/70/47/1351377047.db2.gz ZFWYEVPBGPEAEN-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM COCc1cc(NC(=O)c2cncc3nc[nH]c32)cc(C(=O)[O-])c1 ZINC001606951393 1351383038 /nfs/dbraw/zinc/38/30/38/1351383038.db2.gz AYXUJSILRVRKLZ-UHFFFAOYSA-N -1 1 326.312 2.055 20 0 EEADMM O=C(Nc1n[nH]c2c1cccc2Cl)c1coc(-c2nnn[n-]2)c1 ZINC001606950914 1351383099 /nfs/dbraw/zinc/38/30/99/1351383099.db2.gz UANJBFRCOZRQGI-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1n[nH]c2c1cccc2Cl)c1coc(-c2nn[n-]n2)c1 ZINC001606950914 1351383103 /nfs/dbraw/zinc/38/31/03/1351383103.db2.gz UANJBFRCOZRQGI-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C1N(c2ccccc2)[C@H](c2csc(-c3nn[n-]n3)c2)NC12CC2 ZINC001607049245 1351403907 /nfs/dbraw/zinc/40/39/07/1351403907.db2.gz FKPPAPOIOWNRGA-CQSZACIVSA-N -1 1 338.396 2.096 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ncn1Cc1cc(Cl)cc2ccccc21 ZINC001607090894 1351414020 /nfs/dbraw/zinc/41/40/20/1351414020.db2.gz ARPUTYGGZVMVPH-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(Cl)c(-c3nnn[n-]3)s1)CC2 ZINC001607110448 1351422444 /nfs/dbraw/zinc/42/24/44/1351422444.db2.gz CIBRWEDWFIVGBO-UHFFFAOYSA-N -1 1 348.819 2.287 20 0 EEADMM Oc1ccc2c(c1)CCN(c1nc(Cl)c(-c3nn[n-]n3)s1)CC2 ZINC001607110448 1351422445 /nfs/dbraw/zinc/42/24/45/1351422445.db2.gz CIBRWEDWFIVGBO-UHFFFAOYSA-N -1 1 348.819 2.287 20 0 EEADMM c1cc(Nc2ccnc(-c3nn[n-]n3)n2)cc(Oc2ccncc2)c1 ZINC001607122215 1351427417 /nfs/dbraw/zinc/42/74/17/1351427417.db2.gz WPCTYXIKTGHWNO-UHFFFAOYSA-N -1 1 332.327 2.010 20 0 EEADMM COc1cccc(C2(NCC(=O)NC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC001607315928 1351472146 /nfs/dbraw/zinc/47/21/46/1351472146.db2.gz OMVHXJXHWGVGPW-UHFFFAOYSA-N -1 1 346.427 2.178 20 0 EEADMM COc1cccc(NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001607325511 1351474057 /nfs/dbraw/zinc/47/40/57/1351474057.db2.gz BXIAFXPAWJGDKI-GOSISDBHSA-N -1 1 343.383 2.008 20 0 EEADMM CSc1c(F)cccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001607402967 1351488503 /nfs/dbraw/zinc/48/85/03/1351488503.db2.gz YMVBGDSXECCYTB-NSHDSACASA-N -1 1 340.420 2.169 20 0 EEADMM C[C@H]1CC[C@@](NC(=O)c2ccc(-c3nnc[nH]3)cc2)(C(=O)[O-])CC1 ZINC001607463914 1351497901 /nfs/dbraw/zinc/49/79/01/1351497901.db2.gz PIEMHLLXOAOAGH-QQVUYCAZSA-N -1 1 328.372 2.235 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001607498140 1351505603 /nfs/dbraw/zinc/50/56/03/1351505603.db2.gz ADMSZZVGZWPBOD-UHFFFAOYSA-N -1 1 343.427 2.140 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)n[nH]1 ZINC001607639073 1351530716 /nfs/dbraw/zinc/53/07/16/1351530716.db2.gz WXAWBUVRCRDOCX-SSDOTTSWSA-N -1 1 338.314 2.447 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001607744029 1351550596 /nfs/dbraw/zinc/55/05/96/1351550596.db2.gz WALCOJMAKPKTLK-KBPBESRZSA-N -1 1 349.431 2.314 20 0 EEADMM NC(=O)[C@H]1CCCC[C@@H]1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001608233027 1351653190 /nfs/dbraw/zinc/65/31/90/1351653190.db2.gz SQULWCWUCCMVMB-GJZGRUSLSA-N -1 1 343.383 2.174 20 0 EEADMM Cn1ccnc1Sc1ccc(NC(=O)CCCc2nn[n-]n2)cc1 ZINC001624025795 1352411763 /nfs/dbraw/zinc/41/17/63/1352411763.db2.gz VQJGRMAUBQTJIP-UHFFFAOYSA-N -1 1 343.416 2.046 20 0 EEADMM Cc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc(C(N)=O)c1 ZINC001624567951 1352424303 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O=S(=O)([N-]CCn1cncn1)c1sc2ccccc2c1Cl ZINC001662022393 1354743376 /nfs/dbraw/zinc/74/33/76/1354743376.db2.gz WVZSXCGIJACUBY-UHFFFAOYSA-N -1 1 342.833 2.125 20 0 EEADMM O=C(Nc1[n-]c(=O)nc2nc[nH]c21)NC12CC3CC(CC(C3)C1)C2 ZINC001186702900 1368209917 /nfs/dbraw/zinc/20/99/17/1368209917.db2.gz SQSUVFYTARFYBH-UHFFFAOYSA-N -1 1 328.376 2.149 20 0 EEADMM COc1ccccc1OC(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001195229832 1368507523 /nfs/dbraw/zinc/50/75/23/1368507523.db2.gz BIJLPBZKLAGORI-UHFFFAOYSA-N -1 1 333.304 2.266 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H]2CCc3ccccc3OC2)c1 ZINC000867235141 1368616555 /nfs/dbraw/zinc/61/65/55/1368616555.db2.gz KLLLCYXUIDVWKH-CYBMUJFWSA-N -1 1 349.408 2.073 20 0 EEADMM NC(=O)c1cnoc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC001199311234 1368681314 /nfs/dbraw/zinc/68/13/14/1368681314.db2.gz DRPPWDRVBGMMPG-UHFFFAOYSA-N -1 1 332.703 2.334 20 0 EEADMM CC(=O)c1ccnc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000853638109 1369362756 /nfs/dbraw/zinc/36/27/56/1369362756.db2.gz 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C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001071952246 1370585395 /nfs/dbraw/zinc/58/53/95/1370585395.db2.gz JULMBPHZOGZGKK-STQMWFEESA-N -1 1 347.459 2.436 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC000781692232 1371244852 /nfs/dbraw/zinc/24/48/52/1371244852.db2.gz DLENRUBBVNBNDN-ZDUSSCGKSA-N -1 1 333.384 2.321 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2cccc(F)c2)cccc1N1CCNC1=O ZINC000782507763 1371305199 /nfs/dbraw/zinc/30/51/99/1371305199.db2.gz RBNPNXZHPWYNAG-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)CC(C)(C)OC ZINC001771609625 1406143248 /nfs/dbraw/zinc/14/32/48/1406143248.db2.gz QHPZNBLNYDUFKZ-VIFPVBQESA-N -1 1 337.388 2.455 20 0 EEADMM CC(C)c1[nH]ccc1C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830801585 1372351280 /nfs/dbraw/zinc/35/12/80/1372351280.db2.gz MTLSIRVYUJPIDL-AWEZNQCLSA-N -1 1 331.338 2.421 20 0 EEADMM O=C(NC(CF)CF)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000836529936 1372729814 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EEADMM CSc1ncc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c(=O)[n-]1 ZINC001362344833 1373395224 /nfs/dbraw/zinc/39/52/24/1373395224.db2.gz AVHMEEQTAPFMGV-QMMMGPOBSA-N -1 1 337.426 2.357 20 0 EEADMM Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)[nH]1 ZINC001363039340 1373476630 /nfs/dbraw/zinc/47/66/30/1373476630.db2.gz WCBPOQNIMVGACE-KCJUWKMLSA-N -1 1 331.338 2.161 20 0 EEADMM CSc1nc(CNC(=O)[C@@H](C)CSC(F)(F)F)cc(=O)[n-]1 ZINC001363453500 1373520017 /nfs/dbraw/zinc/52/00/17/1373520017.db2.gz AMFANZZPDCKZRI-LURJTMIESA-N -1 1 341.380 2.409 20 0 EEADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCc1ccncc1 ZINC001363641313 1373541427 /nfs/dbraw/zinc/54/14/27/1373541427.db2.gz KEFWFKVEHLRHHE-AAEUAGOBSA-N -1 1 343.349 2.072 20 0 EEADMM CC[S@](C)(=O)=NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC001364195157 1373595493 /nfs/dbraw/zinc/59/54/93/1373595493.db2.gz DLYFDQBZSWYBOZ-DEOSSOPVSA-N -1 1 348.428 2.130 20 0 EEADMM Cc1ncoc1C[N-]S(=O)(=O)c1sccc1Br ZINC001364992203 1373644092 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EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001372088013 1375762637 /nfs/dbraw/zinc/76/26/37/1375762637.db2.gz LYZWSENPVUFXAA-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM O=C(CCC1CCCC1)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001372380208 1375971012 /nfs/dbraw/zinc/97/10/12/1375971012.db2.gz NKZLQHCUFPLLRE-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(Cl)cs1 ZINC001372838863 1376238130 /nfs/dbraw/zinc/23/81/30/1376238130.db2.gz XSZADZBTVUGQDQ-MRVPVSSYSA-N -1 1 339.804 2.050 20 0 EEADMM CCCN(CCNC(=O)c1ccoc1CC)C(=O)c1ncccc1[O-] ZINC001374120859 1376589046 /nfs/dbraw/zinc/58/90/46/1376589046.db2.gz PQFAWWONIWWMGY-UHFFFAOYSA-N -1 1 345.399 2.225 20 0 EEADMM CC[C@@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001390563785 1388683676 /nfs/dbraw/zinc/68/36/76/1388683676.db2.gz HTDWBJDSQKYXQS-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)C1CCCC1 ZINC001380524077 1381269824 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CCC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001395021515 1390773753 /nfs/dbraw/zinc/77/37/53/1390773753.db2.gz RMRRPYBMRLZVEX-UHFFFAOYSA-N -1 1 335.448 2.438 20 0 EEADMM C[C@H](CNC(=O)C12CCC(CC1)CC2)N(C)C(=O)c1ncccc1[O-] ZINC001395096125 1390785018 /nfs/dbraw/zinc/78/50/18/1390785018.db2.gz KLPPFHOTUINPMH-VFPJAPOESA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001396553077 1390955531 /nfs/dbraw/zinc/95/55/31/1390955531.db2.gz BZPRTJJKHDGZGJ-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CCCCC(=O)N[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001399604118 1395303001 /nfs/dbraw/zinc/30/30/01/1395303001.db2.gz QBTXUPFERNHBCH-AWEZNQCLSA-N -1 1 348.447 2.120 20 0 EEADMM CC[N@H+](CCNC(=O)c1ccccc1O)Cc1cc(OC)ccn1 ZINC001399696708 1395415756 /nfs/dbraw/zinc/41/57/56/1395415756.db2.gz ZFEKLRLVQAUOJQ-UHFFFAOYSA-N -1 1 329.400 2.048 20 0 EEADMM C=C/C(C)=C\CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001753746691 1406768306 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CC(C)CCC(=O)N1CC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001434035355 1403455970 /nfs/dbraw/zinc/45/59/70/1403455970.db2.gz WITDIZDCJWZWDP-IBGZPJMESA-N -1 1 345.443 2.288 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001434151852 1403460243 /nfs/dbraw/zinc/46/02/43/1403460243.db2.gz HFTCPFQUIIMPDA-SWLSCSKDSA-N -1 1 326.352 2.116 20 0 EEADMM Cc1cccc(C(=O)NC2CCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)c1 ZINC001574727547 1403525573 /nfs/dbraw/zinc/52/55/73/1403525573.db2.gz SBBRQTDRNJENLZ-UHFFFAOYSA-N -1 1 341.411 2.416 20 0 EEADMM C[C@@H]1COc2ccccc2N1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576378312 1403569508 /nfs/dbraw/zinc/56/95/08/1403569508.db2.gz PWJSOPXYZRIJQZ-SECBINFHSA-N -1 1 327.369 2.356 20 0 EEADMM CCCc1ccccc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577739393 1403673513 /nfs/dbraw/zinc/67/35/13/1403673513.db2.gz MSENFZIIQFDVLC-UHFFFAOYSA-N -1 1 338.371 2.475 20 0 EEADMM CCc1cnccc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001578559500 1403772098 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/nfs/dbraw/zinc/01/55/98/1404015598.db2.gz HFXNKRYNWYJTCS-UHFFFAOYSA-N -1 1 345.366 2.048 20 0 EEADMM Cc1noc(C2CC2)c1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592461319 1404694581 /nfs/dbraw/zinc/69/45/81/1404694581.db2.gz WZYZRQXFQIYGSU-UHFFFAOYSA-N -1 1 326.320 2.080 20 0 EEADMM Cc1noc(C2CC2)c1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592461319 1404694588 /nfs/dbraw/zinc/69/45/88/1404694588.db2.gz WZYZRQXFQIYGSU-UHFFFAOYSA-N -1 1 326.320 2.080 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)/C=C\C(C)(C)C)c1-c1nn[n-]n1 ZINC001592492831 1404701257 /nfs/dbraw/zinc/70/12/57/1404701257.db2.gz NJYGZESRRKFJRG-SREVYHEPSA-N -1 1 349.464 2.104 20 0 EEADMM Cc1nsc(Oc2ccc3c(c2)CN(C)C3=O)c1-c1nnn[n-]1 ZINC001592494387 1404703248 /nfs/dbraw/zinc/70/32/48/1404703248.db2.gz MYFYIKIIIGAABB-UHFFFAOYSA-N -1 1 328.357 2.010 20 0 EEADMM Cc1nsc(Oc2ccc3c(c2)CN(C)C3=O)c1-c1nn[n-]n1 ZINC001592494387 1404703252 /nfs/dbraw/zinc/70/32/52/1404703252.db2.gz MYFYIKIIIGAABB-UHFFFAOYSA-N -1 1 328.357 2.010 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592793055 1404723801 /nfs/dbraw/zinc/72/38/01/1404723801.db2.gz YFDULBCLVVIONW-RQOWECAXSA-N -1 1 345.366 2.073 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592793055 1404723809 /nfs/dbraw/zinc/72/38/09/1404723809.db2.gz YFDULBCLVVIONW-RQOWECAXSA-N -1 1 345.366 2.073 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc2c(c1)CCCC2 ZINC001592915661 1404729990 /nfs/dbraw/zinc/72/99/90/1404729990.db2.gz PKCBPRLYHUZLPP-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccc2c(c1)CCCC2 ZINC001592915661 1404729995 /nfs/dbraw/zinc/72/99/95/1404729995.db2.gz PKCBPRLYHUZLPP-UHFFFAOYSA-N -1 1 334.383 2.322 20 0 EEADMM CN(C)Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cn1 ZINC001606033701 1404758446 /nfs/dbraw/zinc/75/84/46/1404758446.db2.gz IHSVCAQFBPDSPY-AWEZNQCLSA-N -1 1 339.395 2.362 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001606065070 1404761028 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[O-]c1c(F)cc(F)c(Nc2cncc(N3CCOCC3)n2)c1F ZINC001176664385 798518951 /nfs/dbraw/zinc/51/89/51/798518951.db2.gz XHPPNKXQFOIYNZ-UHFFFAOYSA-N -1 1 326.278 2.180 20 0 EEADMM CCCn1cc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])nn1 ZINC001176821210 798585993 /nfs/dbraw/zinc/58/59/93/798585993.db2.gz HXLXOMSYWFMXGQ-UHFFFAOYSA-N -1 1 326.356 2.183 20 0 EEADMM CCSCc1ccccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000823422221 798731138 /nfs/dbraw/zinc/73/11/38/798731138.db2.gz ZVOBOLXWSCCLER-UHFFFAOYSA-N -1 1 331.445 2.473 20 0 EEADMM CCC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002910674 798819645 /nfs/dbraw/zinc/81/96/45/798819645.db2.gz JZIIHAKVKNAETM-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CCc1nsc(NC[C@@]2(C)CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065412549 799024734 /nfs/dbraw/zinc/02/47/34/799024734.db2.gz FRENXZSZOBWQMT-MRXNPFEDSA-N -1 1 347.444 2.165 20 0 EEADMM CC(C)(C)[C@H](CN1CCOCC1)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781667 800086035 /nfs/dbraw/zinc/08/60/35/800086035.db2.gz LAJCEGZSBWQELC-VIFPVBQESA-N -1 1 348.768 2.316 20 0 EEADMM O=C(Cc1c[nH]c2ccc(O)cc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC001180657331 800515815 /nfs/dbraw/zinc/51/58/15/800515815.db2.gz CTAJQRNWKFASDX-UHFFFAOYSA-N -1 1 325.250 2.192 20 0 EEADMM O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000827968209 800551987 /nfs/dbraw/zinc/55/19/87/800551987.db2.gz ZPBJEKKEMMXIJY-GVDBMIGSSA-N -1 1 349.394 2.057 20 0 EEADMM CN(C)c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(N=O)c(=O)[n-]1 ZINC001181430380 800780281 /nfs/dbraw/zinc/78/02/81/800780281.db2.gz JPONWWBKYSYVCI-GHMZBOCLSA-N -1 1 327.344 2.388 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)[C@@H]2COC(C)(C)O2)c1 ZINC001181742142 800889462 /nfs/dbraw/zinc/88/94/62/800889462.db2.gz BISFWNJHHFJIJT-JTQLQIEISA-N -1 1 346.177 2.253 20 0 EEADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCC[P@](=O)([O-])O ZINC001181781706 800902550 /nfs/dbraw/zinc/90/25/50/800902550.db2.gz DHBDLJRZQPFPHG-SNVBAGLBSA-N -1 1 335.724 2.181 20 0 EEADMM Cc1nccc(NCCCC[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001090079803 801242854 /nfs/dbraw/zinc/24/28/54/801242854.db2.gz MZBUYMNHBNQQEG-LBPRGKRZSA-N -1 1 329.404 2.286 20 0 EEADMM CSc1nc(NC(=O)[C@@H](COC(C)=O)c2ccccc2)cc(=O)[n-]1 ZINC001183106925 801478887 /nfs/dbraw/zinc/47/88/87/801478887.db2.gz ODJASJNGETXIDG-LBPRGKRZSA-N -1 1 347.396 2.190 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCc2ccccc2[C@H]1O ZINC001183383871 801596455 /nfs/dbraw/zinc/59/64/55/801596455.db2.gz NFJGMWBUNWDUDT-NXEZZACHSA-N -1 1 326.278 2.058 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)c1ccsc1 ZINC001004462320 802134289 /nfs/dbraw/zinc/13/42/89/802134289.db2.gz WUFFPFKDXXBADU-YPMHNXCESA-N -1 1 345.424 2.129 20 0 EEADMM CCC1(C(=O)N2CC[C@H](C)[C@@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001004757445 802796025 /nfs/dbraw/zinc/79/60/25/802796025.db2.gz LXORFXZRFLZGOB-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[S@@](=O)(=NS(=O)(=O)[N-]CC1(C2CC2)CC1)c1ccccc1F ZINC000867002109 803907746 /nfs/dbraw/zinc/90/77/46/803907746.db2.gz LIKRIMQXBWIENJ-NRFANRHFSA-N -1 1 346.449 2.307 20 0 EEADMM CCc1nc(C)cc(N[C@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983494 807762185 /nfs/dbraw/zinc/76/21/85/807762185.db2.gz MJRNORISWOVJSF-NEPJUHHUSA-N -1 1 329.404 2.067 20 0 EEADMM C[C@@H]1CN(CCN(C)C(=O)c2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000790128077 808413853 /nfs/dbraw/zinc/41/38/53/808413853.db2.gz RCCYXONPUSDODY-TXEJJXNPSA-N -1 1 326.824 2.227 20 0 EEADMM CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790225992 808547164 /nfs/dbraw/zinc/54/71/64/808547164.db2.gz RNIKYBSSUBKKBW-CYBMUJFWSA-N -1 1 337.800 2.489 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3ccccc3OC(F)F)ccnc1-2 ZINC000791090223 809067829 /nfs/dbraw/zinc/06/78/29/809067829.db2.gz RPOOWWCKTKICAM-UHFFFAOYSA-N -1 1 347.325 2.265 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H](C)O)c2)c1 ZINC000791484859 809262891 /nfs/dbraw/zinc/26/28/91/809262891.db2.gz XUYLSYKUPRKOOR-CYBMUJFWSA-N -1 1 349.408 2.333 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)nc3c2CCSC3)[n-]1 ZINC001170226578 809844805 /nfs/dbraw/zinc/84/48/05/809844805.db2.gz PCMJRPRPGCRWQE-UHFFFAOYSA-N -1 1 335.780 2.035 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)sc1C ZINC000793187900 810181177 /nfs/dbraw/zinc/18/11/77/810181177.db2.gz ZPYLQLFOWZNAOH-UHFFFAOYSA-N -1 1 335.410 2.131 20 0 EEADMM COc1cc2ccccc2cc1C(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC001129518971 810888729 /nfs/dbraw/zinc/88/87/29/810888729.db2.gz CPKKAYUFRYVCGH-UHFFFAOYSA-N -1 1 349.350 2.140 20 0 EEADMM O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cn[n-]n1 ZINC000805606378 811370723 /nfs/dbraw/zinc/37/07/23/811370723.db2.gz IHLLMNIIJPENLP-UHFFFAOYSA-N -1 1 339.233 2.231 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1Cc1cccs1 ZINC000805605088 811371316 /nfs/dbraw/zinc/37/13/16/811371316.db2.gz IYNKHXKTLKRLKL-UHFFFAOYSA-N -1 1 344.396 2.373 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCc3cccc4cccnc43)ccnc1-2 ZINC000806488306 811897400 /nfs/dbraw/zinc/89/74/00/811897400.db2.gz LTKZFYYEGUEQCQ-UHFFFAOYSA-N -1 1 332.367 2.212 20 0 EEADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)[C@@H](O)c1c(F)cccc1F ZINC000807199054 812133437 /nfs/dbraw/zinc/13/34/37/812133437.db2.gz QREHYUJMOKSQBR-WMLDXEAASA-N -1 1 349.333 2.482 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2COC3=O)c(C)c1 ZINC000808127913 812447534 /nfs/dbraw/zinc/44/75/34/812447534.db2.gz WIHIFKGSIOZUNW-UHFFFAOYSA-N -1 1 333.365 2.475 20 0 EEADMM O=C([O-])c1cccc(CNC(=O)c2ccc(Cc3nc[nH]n3)cc2)c1 ZINC001602438652 971198165 /nfs/dbraw/zinc/19/81/65/971198165.db2.gz HVDZWEWAKMAYBC-UHFFFAOYSA-N -1 1 336.351 2.024 20 0 EEADMM Brc1sccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573279565 946643302 /nfs/dbraw/zinc/64/33/02/946643302.db2.gz IXVGBHCPKMNXBF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1sccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573279565 946643311 /nfs/dbraw/zinc/64/33/11/946643311.db2.gz IXVGBHCPKMNXBF-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CC(=O)c1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)o1 ZINC001573555942 946919878 /nfs/dbraw/zinc/91/98/78/946919878.db2.gz IYYMNSYQMZZVNA-UHFFFAOYSA-N -1 1 338.736 2.025 20 0 EEADMM Cc1cc(Br)ccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826256362 947738603 /nfs/dbraw/zinc/73/86/03/947738603.db2.gz FPDNITDRBFYEOR-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(Br)ccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826256362 947738610 /nfs/dbraw/zinc/73/86/10/947738610.db2.gz FPDNITDRBFYEOR-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1onc(CC(=O)N2CCC(C3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343492 947990066 /nfs/dbraw/zinc/99/00/66/947990066.db2.gz CPOOTABHBNOSDY-UHFFFAOYSA-N -1 1 344.419 2.134 20 0 EEADMM Cc1onc(CC(=O)N2CCC(C3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343492 947990073 /nfs/dbraw/zinc/99/00/73/947990073.db2.gz CPOOTABHBNOSDY-UHFFFAOYSA-N -1 1 344.419 2.134 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826345679 948028846 /nfs/dbraw/zinc/02/88/46/948028846.db2.gz RAWIDDPNONWSIH-QMMMGPOBSA-N -1 1 346.778 2.236 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826345679 948028855 /nfs/dbraw/zinc/02/88/55/948028855.db2.gz RAWIDDPNONWSIH-QMMMGPOBSA-N -1 1 346.778 2.236 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1-c1nn[n-]n1 ZINC001570927618 948715037 /nfs/dbraw/zinc/71/50/37/948715037.db2.gz VEBLWFLELHMGEO-VXGBXAGGSA-N -1 1 328.376 2.035 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001570945802 949504239 /nfs/dbraw/zinc/50/42/39/949504239.db2.gz DMQHFEVYBDYWMV-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(OC)c1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001570945802 949504264 /nfs/dbraw/zinc/50/42/64/949504264.db2.gz DMQHFEVYBDYWMV-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM O=C([O-])c1ccccc1OCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001595259976 949650056 /nfs/dbraw/zinc/65/00/56/949650056.db2.gz LWGSIVKSDQQURI-LLVKDONJSA-N -1 1 330.340 2.150 20 0 EEADMM CC1(C)C[C@@]1(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001575641388 950918716 /nfs/dbraw/zinc/91/87/16/950918716.db2.gz PCZPGDJVIUVFHG-IBGZPJMESA-N -1 1 348.410 2.246 20 0 EEADMM CC1(C)C[C@@]1(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001575641388 950918731 /nfs/dbraw/zinc/91/87/31/950918731.db2.gz PCZPGDJVIUVFHG-IBGZPJMESA-N -1 1 348.410 2.246 20 0 EEADMM O=C([O-])CN1CCCC[C@H](NCc2ccc(F)cc2Cl)C1=O ZINC001595097376 951831391 /nfs/dbraw/zinc/83/13/91/951831391.db2.gz ZYBHCDQAYGHDIX-ZDUSSCGKSA-N -1 1 328.771 2.034 20 0 EEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC001595152894 952148472 /nfs/dbraw/zinc/14/84/72/952148472.db2.gz KNTLAOJYXBZRSV-ALCCZGGFSA-N -1 1 341.776 2.034 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 ZINC001595215112 952374343 /nfs/dbraw/zinc/37/43/43/952374343.db2.gz BZMOXVRCCMJFNO-KRWDZBQOSA-N -1 1 348.362 2.291 20 0 EEADMM C[C@H](Cc1ccccn1)NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001575190532 952463256 /nfs/dbraw/zinc/46/32/56/952463256.db2.gz UAMGIVBZKBGPDU-LLVKDONJSA-N -1 1 347.382 2.104 20 0 EEADMM O=C([O-])c1ccnc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC001594738837 953359725 /nfs/dbraw/zinc/35/97/25/953359725.db2.gz CGAWZQUCWOCOQY-ZDUSSCGKSA-N -1 1 344.371 2.331 20 0 EEADMM C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)[C@@H]1C(=O)[O-] ZINC001589325073 953894823 /nfs/dbraw/zinc/89/48/23/953894823.db2.gz GSVPMOMSWPGUAJ-BMIGLBTASA-N -1 1 329.356 2.108 20 0 EEADMM C[C@@H]1CCCN([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H]1C(=O)[O-] ZINC001589327193 953920992 /nfs/dbraw/zinc/92/09/92/953920992.db2.gz CEXGEHQYQSHNTQ-OIISXLGYSA-N -1 1 330.428 2.363 20 0 EEADMM O=C([O-])[C@@H](C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12)C1CC1 ZINC001594837778 954042447 /nfs/dbraw/zinc/04/24/47/954042447.db2.gz PSUFBJUCRWVZRL-MRVPVSSYSA-N -1 1 328.250 2.026 20 0 EEADMM CN(C)Cc1ccnc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001593704687 954149188 /nfs/dbraw/zinc/14/91/88/954149188.db2.gz XWTQKHGPVKNDJG-OAHLLOKOSA-N -1 1 346.362 2.230 20 0 EEADMM C[C@H]1[C@H](CO)CCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000385893988 972020387 /nfs/dbraw/zinc/02/03/87/972020387.db2.gz NKFBQDHRRLFXJF-CABZTGNLSA-N -1 1 328.206 2.350 20 0 EEADMM O=C([O-])/C=C\c1cc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)co1 ZINC001594966565 955064329 /nfs/dbraw/zinc/06/43/29/955064329.db2.gz QLIRMSOOQSNPLI-WLMCBFPDSA-N -1 1 340.379 2.034 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000863534795 955923685 /nfs/dbraw/zinc/92/36/85/955923685.db2.gz RLOFBCNWJDMQMH-YOEHRIQHSA-N -1 1 345.443 2.268 20 0 EEADMM CO[C@](C)(C(=O)[O-])C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC001593922269 956091332 /nfs/dbraw/zinc/09/13/32/956091332.db2.gz JJLNFTBZWAGAMQ-SGTLLEGYSA-N -1 1 345.399 2.067 20 0 EEADMM Cc1ccc(CN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC000873645969 956094886 /nfs/dbraw/zinc/09/48/86/956094886.db2.gz UFUJAYLJECSSOL-KBPBESRZSA-N -1 1 348.834 2.467 20 0 EEADMM Nc1cc(CCCCNC(=O)c2coc(/C=C\C(=O)[O-])c2)ccn1 ZINC001594663568 956554574 /nfs/dbraw/zinc/55/45/74/956554574.db2.gz LDKWNOQFIHIIHO-PLNGDYQASA-N -1 1 329.356 2.107 20 0 EEADMM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C(=O)[O-])co1 ZINC000389784918 972246504 /nfs/dbraw/zinc/24/65/04/972246504.db2.gz KZLLKPBEESKNJO-WFASDCNBSA-N -1 1 328.368 2.228 20 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462744886 /nfs/dbraw/zinc/74/48/86/462744886.db2.gz BSEGQEVJWFPELE-UHFFFAOYSA-N -1 1 330.409 2.390 20 0 EEADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000047211528 462756317 /nfs/dbraw/zinc/75/63/17/462756317.db2.gz AOGTVCRHZVEYLV-UHFFFAOYSA-N -1 1 343.364 2.217 20 0 EEADMM Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000130521943 462761206 /nfs/dbraw/zinc/76/12/06/462761206.db2.gz XOBJZNQLNYMLEN-UHFFFAOYSA-N -1 1 346.408 2.394 20 0 EEADMM O=C(CSC1CC1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000590737098 468320195 /nfs/dbraw/zinc/32/01/95/468320195.db2.gz OVMDEXOMTDKKMJ-LBPRGKRZSA-N -1 1 341.799 2.093 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCC1CCOCC1 ZINC000091161308 462843818 /nfs/dbraw/zinc/84/38/18/462843818.db2.gz DXIOMZXFKXQWFE-UHFFFAOYSA-N -1 1 344.408 2.343 20 0 EEADMM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000132692564 462873227 /nfs/dbraw/zinc/87/32/27/462873227.db2.gz QEBKCPDNOICISG-KGLIPLIRSA-N -1 1 343.431 2.498 20 0 EEADMM Cn1ncc2c1[n-]cc(C(=O)NCC1(c3cccc(F)c3)CC1)c2=O ZINC000132748373 462876164 /nfs/dbraw/zinc/87/61/64/462876164.db2.gz PULOXAMPMLQFRP-UHFFFAOYSA-N -1 1 340.358 2.275 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119371226 462894996 /nfs/dbraw/zinc/89/49/96/462894996.db2.gz QHJOUCBTCAYMSA-KBPBESRZSA-N -1 1 346.431 2.340 20 0 EEADMM CCn1c(CNC(=O)COc2cccc(Cl)c2)n[n-]c1=S ZINC000066636890 462915212 /nfs/dbraw/zinc/91/52/12/462915212.db2.gz UNXUBXDJPQHHOH-UHFFFAOYSA-N -1 1 326.809 2.309 20 0 EEADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000014867618 462934163 /nfs/dbraw/zinc/93/41/63/462934163.db2.gz YBDQDYATBQRHCF-UHFFFAOYSA-N -1 1 343.401 2.338 20 0 EEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1 ZINC000015755916 462962484 /nfs/dbraw/zinc/96/24/84/462962484.db2.gz UKLUPYYHDVAYPD-UHFFFAOYSA-N -1 1 332.381 2.050 20 0 EEADMM O=C(c1ccc2ccccc2c1[O-])N1CCN(c2ncccn2)CC1 ZINC000017299312 462998398 /nfs/dbraw/zinc/99/83/98/462998398.db2.gz 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2.371 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCCCO1)c1c(Cl)ccnc1Cl ZINC000272180970 464507948 /nfs/dbraw/zinc/50/79/48/464507948.db2.gz IXMXKHMOYISDJR-QMMMGPOBSA-N -1 1 325.217 2.236 20 0 EEADMM CCOCCOC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000272264615 464541871 /nfs/dbraw/zinc/54/18/71/464541871.db2.gz QZOWBXKFAMAGQW-UHFFFAOYSA-N -1 1 333.306 2.289 20 0 EEADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000294677328 464571220 /nfs/dbraw/zinc/57/12/20/464571220.db2.gz MONAWKQHWFQXRV-UHFFFAOYSA-N -1 1 326.360 2.038 20 0 EEADMM C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000175555386 464574444 /nfs/dbraw/zinc/57/44/44/464574444.db2.gz NYLBWJDFMLGGAH-CYBMUJFWSA-N -1 1 329.375 2.445 20 0 EEADMM O=C(NC1(c2nc[nH]n2)CCC1)c1cc(Br)ccc1[O-] ZINC000190362752 464628119 /nfs/dbraw/zinc/62/81/19/464628119.db2.gz PVCFBDBORMTHJM-UHFFFAOYSA-N -1 1 337.177 2.082 20 0 EEADMM COc1cc(Cl)c(F)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000568960739 468413350 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ZINC000495874351 535038623 /nfs/dbraw/zinc/03/86/23/535038623.db2.gz IRZCIKMBSLMRDZ-GUYCJALGSA-N -1 1 344.452 2.088 20 0 EEADMM COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000738121525 578000142 /nfs/dbraw/zinc/00/01/42/578000142.db2.gz SGHCODNMGSEAML-JYJNAYRXSA-N -1 1 346.427 2.059 20 0 EEADMM CS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738176490 578002531 /nfs/dbraw/zinc/00/25/31/578002531.db2.gz YKNHKEHGKZFFCW-HNNXBMFYSA-N -1 1 337.372 2.145 20 0 EEADMM c1coc([C@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)c1 ZINC000738447509 578015631 /nfs/dbraw/zinc/01/56/31/578015631.db2.gz GGMDCNFKLRDOPP-NSHDSACASA-N -1 1 333.355 2.397 20 0 EEADMM c1coc([C@H]2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)c1 ZINC000738447509 578015632 /nfs/dbraw/zinc/01/56/32/578015632.db2.gz GGMDCNFKLRDOPP-NSHDSACASA-N -1 1 333.355 2.397 20 0 EEADMM Fc1cccc(C=C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737664808 576341810 /nfs/dbraw/zinc/34/18/10/576341810.db2.gz DRFYPMRUFUDOJP-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1cccc(C=C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737664808 576341813 /nfs/dbraw/zinc/34/18/13/576341813.db2.gz DRFYPMRUFUDOJP-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000738469080 576465057 /nfs/dbraw/zinc/46/50/57/576465057.db2.gz YTAQLLVCBGUDOW-CQSZACIVSA-N -1 1 331.416 2.022 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000738469080 576465059 /nfs/dbraw/zinc/46/50/59/576465059.db2.gz YTAQLLVCBGUDOW-CQSZACIVSA-N -1 1 331.416 2.022 20 0 EEADMM O=C([O-])CCCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000739670851 576720634 /nfs/dbraw/zinc/72/06/34/576720634.db2.gz IXMJFZXQBGTMOY-UHFFFAOYSA-N -1 1 340.177 2.310 20 0 EEADMM O=C(NCc1nn[n-]n1)c1cc(-c2cccs2)nc2ccccc21 ZINC000731873340 577129761 /nfs/dbraw/zinc/12/97/61/577129761.db2.gz OEUZXHMIAMLSKP-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM CC(C)[C@H](C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000733579043 577246541 /nfs/dbraw/zinc/24/65/41/577246541.db2.gz PPLABZIJANRTOJ-JTQLQIEISA-N -1 1 343.326 2.380 20 0 EEADMM O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773977440 577376183 /nfs/dbraw/zinc/37/61/83/577376183.db2.gz GARSQKMUMIAIIL-UHFFFAOYSA-N -1 1 342.306 2.029 20 0 EEADMM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1 ZINC000774539984 577402928 /nfs/dbraw/zinc/40/29/28/577402928.db2.gz FBBIDMNHOZDPBU-UHFFFAOYSA-N -1 1 343.408 2.385 20 0 EEADMM COc1ccc(C[C@@H](C)C(=O)OCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774992592 577425671 /nfs/dbraw/zinc/42/56/71/577425671.db2.gz SNYLQHZJNGDTED-LLVKDONJSA-N -1 1 347.333 2.486 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cnc(Cl)n1C ZINC000776504920 577461071 /nfs/dbraw/zinc/46/10/71/577461071.db2.gz WYIKOKIVSYXSNU-UHFFFAOYSA-N -1 1 343.792 2.189 20 0 EEADMM Cn1[n-]c(COC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)nc1=O ZINC000765439969 577501102 /nfs/dbraw/zinc/50/11/02/577501102.db2.gz ZIKHNDYRRSMRCX-UHFFFAOYSA-N -1 1 341.154 2.254 20 0 EEADMM Cn1[n-]c(COC(=O)C2(Sc3ccccc3)CCCC2)nc1=O ZINC000765474157 577501575 /nfs/dbraw/zinc/50/15/75/577501575.db2.gz NGIUPVPLMHENCV-UHFFFAOYSA-N -1 1 333.413 2.257 20 0 EEADMM Cc1ccc(C(=O)CC(C)(C)CC(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765508577 577502177 /nfs/dbraw/zinc/50/21/77/577502177.db2.gz OHIXBDGGQJCALO-UHFFFAOYSA-N -1 1 345.399 2.149 20 0 EEADMM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000765835704 577508058 /nfs/dbraw/zinc/50/80/58/577508058.db2.gz CBBRJDCJQWAGBI-SSDOTTSWSA-N -1 1 325.670 2.269 20 0 EEADMM COC1CCC(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000760139062 577657645 /nfs/dbraw/zinc/65/76/45/577657645.db2.gz ODIBZFAKVAVDIC-LDZOIKDWSA-N -1 1 329.404 2.001 20 0 EEADMM COc1ccc2c(c1)[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CC2 ZINC000763457552 577721480 /nfs/dbraw/zinc/72/14/80/577721480.db2.gz SNNMRCRPBZQZPN-GFCCVEGCSA-N -1 1 345.317 2.337 20 0 EEADMM Cc1ccccc1[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)C(C)(C)C ZINC000750858278 577743806 /nfs/dbraw/zinc/74/38/06/577743806.db2.gz SKMNPKYFJBTBLU-INIZCTEOSA-N -1 1 343.427 2.139 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1O ZINC000754826424 577814196 /nfs/dbraw/zinc/81/41/96/577814196.db2.gz IYFQATXWOYLQAD-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM CON(C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)C1CCCC1 ZINC000757658502 577862001 /nfs/dbraw/zinc/86/20/01/577862001.db2.gz ROUODQABTYJXSG-UHFFFAOYSA-N -1 1 332.404 2.317 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1 ZINC000743253095 577882215 /nfs/dbraw/zinc/88/22/15/577882215.db2.gz HLUUYCTYRTWDOY-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 ZINC000744508479 577899178 /nfs/dbraw/zinc/89/91/78/577899178.db2.gz XPBRQTWRDMJJEE-NSHDSACASA-N -1 1 335.400 2.231 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C(N)=O)c2)c1 ZINC000744670094 577901327 /nfs/dbraw/zinc/90/13/27/577901327.db2.gz VOBFIOZHZFXUQO-UHFFFAOYSA-N -1 1 327.336 2.093 20 0 EEADMM Cc1noc(C(F)F)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000746078517 577922038 /nfs/dbraw/zinc/92/20/38/577922038.db2.gz ISXDKJLBWXWFEU-UHFFFAOYSA-N -1 1 338.266 2.034 20 0 EEADMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2c[nH]cn2)c([O-])c1 ZINC000748321786 577959296 /nfs/dbraw/zinc/95/92/96/577959296.db2.gz UCDJQEAGQUTALT-UHFFFAOYSA-N -1 1 332.360 2.392 20 0 EEADMM Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000738550813 578019092 /nfs/dbraw/zinc/01/90/92/578019092.db2.gz JADKQIAOYNTLHU-HNNXBMFYSA-N -1 1 345.399 2.032 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000738984120 578033624 /nfs/dbraw/zinc/03/36/24/578033624.db2.gz GPMJQERTKQELLA-UHFFFAOYSA-N -1 1 332.356 2.274 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC1C3CC4CC(C3)CC1C4)CC2 ZINC000739279421 578046647 /nfs/dbraw/zinc/04/66/47/578046647.db2.gz YVRRVBRPFYVYJZ-STWSTGMMSA-N -1 1 346.471 2.114 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739640318 578062099 /nfs/dbraw/zinc/06/20/99/578062099.db2.gz ZCZYQPZOTSHYNT-CVEARBPZSA-N -1 1 332.400 2.337 20 0 EEADMM O=C([O-])CCc1nnc(NC(=O)c2coc(-c3ccccc3)n2)s1 ZINC000739781017 578067648 /nfs/dbraw/zinc/06/76/48/578067648.db2.gz AXNSEVLRIBZGAY-UHFFFAOYSA-N -1 1 344.352 2.463 20 0 EEADMM O=C([O-])CSCCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000739845668 578069765 /nfs/dbraw/zinc/06/97/65/578069765.db2.gz HIEQVWSLULWEGS-UHFFFAOYSA-N -1 1 327.793 2.040 20 0 EEADMM O=C([O-])C1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000740476295 578095567 /nfs/dbraw/zinc/09/55/67/578095567.db2.gz XXRFXDGGNRMWPF-HNNXBMFYSA-N -1 1 349.431 2.313 20 0 EEADMM CC(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1nnc2ccccn21 ZINC000735735311 578165094 /nfs/dbraw/zinc/16/50/94/578165094.db2.gz RHNUKAJEBKCBMI-MRXNPFEDSA-N -1 1 348.414 2.396 20 0 EEADMM C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736265363 578192052 /nfs/dbraw/zinc/19/20/52/578192052.db2.gz IMLUEOMLIMFVJO-VIFPVBQESA-N -1 1 341.824 2.083 20 0 EEADMM C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736265363 578192053 /nfs/dbraw/zinc/19/20/53/578192053.db2.gz IMLUEOMLIMFVJO-VIFPVBQESA-N -1 1 341.824 2.083 20 0 EEADMM COC(=O)c1ccc2ccccc2c1OS(=O)(=O)c1c[n-]cn1 ZINC000736625421 578215529 /nfs/dbraw/zinc/21/55/29/578215529.db2.gz JRHHRFVYSOUKRV-UHFFFAOYSA-N -1 1 332.337 2.117 20 0 EEADMM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736686204 578217985 /nfs/dbraw/zinc/21/79/85/578217985.db2.gz OPIDAUJARJYSHQ-CQSZACIVSA-N -1 1 338.371 2.394 20 0 EEADMM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736686204 578217986 /nfs/dbraw/zinc/21/79/86/578217986.db2.gz OPIDAUJARJYSHQ-CQSZACIVSA-N -1 1 338.371 2.394 20 0 EEADMM C[C@H](CN(CN1C(=O)CC2(CCC(C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000736772466 578222787 /nfs/dbraw/zinc/22/27/87/578222787.db2.gz CWEZQUXZIBYCOC-YNAXMUEKSA-N -1 1 336.432 2.084 20 0 EEADMM C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736812136 578225108 /nfs/dbraw/zinc/22/51/08/578225108.db2.gz TUVLDEZDITZTST-BETUJISGSA-N -1 1 335.404 2.006 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)c2cccc(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736812136 578225109 /nfs/dbraw/zinc/22/51/09/578225109.db2.gz TUVLDEZDITZTST-BETUJISGSA-N -1 1 335.404 2.006 20 0 EEADMM CCO[C@H]1C[C@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000737157464 578241280 /nfs/dbraw/zinc/24/12/80/578241280.db2.gz MKRNSWQBTFAVES-HOTGVXAUSA-N -1 1 348.443 2.483 20 0 EEADMM COc1ccccc1C/C(C)=C\C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737153414 578241296 /nfs/dbraw/zinc/24/12/96/578241296.db2.gz SSIDHAGOASBTCN-SEYXRHQNSA-N -1 1 341.415 2.103 20 0 EEADMM CCS[C@@H]1CCCCN(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)C1 ZINC000737231449 578244725 /nfs/dbraw/zinc/24/47/25/578244725.db2.gz KPIKLZDPJFCFFL-NFAWXSAZSA-N -1 1 330.494 2.210 20 0 EEADMM CCc1[nH]c(C(=O)Nc2ccn(-c3ccncc3)n2)c(C)c1C(=O)[O-] ZINC000737246018 578245770 /nfs/dbraw/zinc/24/57/70/578245770.db2.gz PZXXTRHLWMQXRC-UHFFFAOYSA-N -1 1 339.355 2.417 20 0 EEADMM Cc1cnc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)o1 ZINC000737445412 578258023 /nfs/dbraw/zinc/25/80/23/578258023.db2.gz GWBZFEKFGOAOFG-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)o1 ZINC000737445412 578258024 /nfs/dbraw/zinc/25/80/24/578258024.db2.gz GWBZFEKFGOAOFG-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CC(C)(NCC(=O)Nc1ccccc1C(=O)c1ccccc1)C(=O)[O-] ZINC000737600046 578266321 /nfs/dbraw/zinc/26/63/21/578266321.db2.gz ONYQLMBEKHEJJD-UHFFFAOYSA-N -1 1 340.379 2.309 20 0 EEADMM O=C([C@H]1CCSc2ccccc21)N1CCC(c2nn[n-]n2)CC1 ZINC000737793025 578269710 /nfs/dbraw/zinc/26/97/10/578269710.db2.gz UBXHVQGYUAPOJS-ZDUSSCGKSA-N -1 1 329.429 2.185 20 0 EEADMM CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000738007775 578276368 /nfs/dbraw/zinc/27/63/68/578276368.db2.gz SCFPQMDXMWVPPP-GFCCVEGCSA-N -1 1 347.440 2.051 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccsc1 ZINC000818374254 597055846 /nfs/dbraw/zinc/05/58/46/597055846.db2.gz JDFGZYUWVIKJPQ-JSGCOSHPSA-N -1 1 339.461 2.247 20 0 EEADMM Clc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1-n1cncn1 ZINC000822567745 607315208 /nfs/dbraw/zinc/31/52/08/607315208.db2.gz GDWBHMLBXGRKFB-UHFFFAOYSA-N -1 1 342.750 2.306 20 0 EEADMM Clc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1-n1cncn1 ZINC000822567745 607315209 /nfs/dbraw/zinc/31/52/09/607315209.db2.gz GDWBHMLBXGRKFB-UHFFFAOYSA-N -1 1 342.750 2.306 20 0 EEADMM O=C(Nc1ccc(SC(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823357371 607350141 /nfs/dbraw/zinc/35/01/41/607350141.db2.gz TZOYSBXTRQGILW-UHFFFAOYSA-N -1 1 349.326 2.224 20 0 EEADMM O=C(Nc1ccc(SC(F)F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823357371 607350143 /nfs/dbraw/zinc/35/01/43/607350143.db2.gz TZOYSBXTRQGILW-UHFFFAOYSA-N -1 1 349.326 2.224 20 0 EEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nnn[n-]2)sc1C ZINC000822444169 599357532 /nfs/dbraw/zinc/35/75/32/599357532.db2.gz FCFAFACVRBWELL-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM Cc1nc(CNc2c3ccccc3nnc2-c2nn[n-]n2)sc1C ZINC000822444169 599357534 /nfs/dbraw/zinc/35/75/34/599357534.db2.gz FCFAFACVRBWELL-UHFFFAOYSA-N -1 1 338.400 2.495 20 0 EEADMM C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405318032 600300516 /nfs/dbraw/zinc/30/05/16/600300516.db2.gz LNUFUOZNIUTABG-GOEBONIOSA-N -1 1 330.428 2.393 20 0 EEADMM CCn1nc2c(cc1=O)CN([C@H](C(=O)[O-])c1cccc(Cl)c1)CC2 ZINC000830445603 600827174 /nfs/dbraw/zinc/82/71/74/600827174.db2.gz OYKFLTQOGIUKFQ-INIZCTEOSA-N -1 1 347.802 2.101 20 0 EEADMM CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000829170561 601031266 /nfs/dbraw/zinc/03/12/66/601031266.db2.gz VZVACLQVZBXJHE-SUMWQHHRSA-N -1 1 336.457 2.427 20 0 EEADMM C[C@](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827728322 601038514 /nfs/dbraw/zinc/03/85/14/601038514.db2.gz RBLLOOUYUSPCPQ-CQSZACIVSA-N -1 1 346.305 2.367 20 0 EEADMM CCc1nc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)sc1C ZINC000830318988 601135236 /nfs/dbraw/zinc/13/52/36/601135236.db2.gz XQYONYBKRJRPOV-SNVBAGLBSA-N -1 1 340.449 2.027 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC000828718653 601157597 /nfs/dbraw/zinc/15/75/97/601157597.db2.gz NHFATJSTOKGEAB-ZFWWWQNUSA-N -1 1 342.505 2.354 20 0 EEADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000826054831 601206106 /nfs/dbraw/zinc/20/61/06/601206106.db2.gz QZSYKSJGQDXYBR-ABAIWWIYSA-N -1 1 343.408 2.308 20 0 EEADMM CCC1CCC(NCC(=O)NCc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000829101193 601494080 /nfs/dbraw/zinc/49/40/80/601494080.db2.gz IUYDEOZMNSKJHC-UHFFFAOYSA-N -1 1 336.407 2.455 20 0 EEADMM CC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000829126348 601497941 /nfs/dbraw/zinc/49/79/41/601497941.db2.gz XBNMYLBMFCAEAR-VXGBXAGGSA-N -1 1 348.399 2.230 20 0 EEADMM CC[C@@](C)(CC(=O)[O-])NCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000828671522 601557314 /nfs/dbraw/zinc/55/73/14/601557314.db2.gz DYYCHVSBOPJNHZ-INIZCTEOSA-N -1 1 333.344 2.198 20 0 EEADMM Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826307310 607572337 /nfs/dbraw/zinc/57/23/37/607572337.db2.gz CHRGMPBNUVRWEG-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307310 607572339 /nfs/dbraw/zinc/57/23/39/607572339.db2.gz CHRGMPBNUVRWEG-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM O=S(=O)(Oc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826494025 607572988 /nfs/dbraw/zinc/57/29/88/607572988.db2.gz MCNKDRQCFPIRSU-UHFFFAOYSA-N -1 1 336.760 2.288 20 0 EEADMM O=S(=O)(Oc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826494025 607572990 /nfs/dbraw/zinc/57/29/90/607572990.db2.gz MCNKDRQCFPIRSU-UHFFFAOYSA-N -1 1 336.760 2.288 20 0 EEADMM C[C@H]1CN(CCCNC(=O)Nc2cc(C(=O)[O-])cs2)C[C@H](C)O1 ZINC000828448524 604521155 /nfs/dbraw/zinc/52/11/55/604521155.db2.gz CZCKSMIHCTZCQY-QWRGUYRKSA-N -1 1 341.433 2.067 20 0 EEADMM CN(CC(C)(C)S(C)(=O)=O)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833692359 605051872 /nfs/dbraw/zinc/05/18/72/605051872.db2.gz PUAGEFNYVHNQAV-GFCCVEGCSA-N -1 1 333.837 2.221 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)cc1Cl ZINC000833627581 605107134 /nfs/dbraw/zinc/10/71/34/605107134.db2.gz YXLVQXQYHBHMNG-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1ccccc1F ZINC000833623121 605158168 /nfs/dbraw/zinc/15/81/68/605158168.db2.gz QNKULIFNTFZCRM-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)c(C(=O)[O-])c1 ZINC000833751123 605167987 /nfs/dbraw/zinc/16/79/87/605167987.db2.gz OWUBMIYTKWSNQD-UHFFFAOYSA-N -1 1 335.337 2.223 20 0 EEADMM C[C@H]1CN(C(=O)CC/C=C\c2ccccc2)CCN1CCC(=O)[O-] ZINC000833617772 605253487 /nfs/dbraw/zinc/25/34/87/605253487.db2.gz GWENSDPFGYTBOT-GEZBDVBVSA-N -1 1 330.428 2.487 20 0 EEADMM C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCN1CCC(=O)[O-] ZINC000833625641 605254872 /nfs/dbraw/zinc/25/48/72/605254872.db2.gz ZGERXWUIMXIKHU-NSHDSACASA-N -1 1 344.333 2.326 20 0 EEADMM C/C(=C\C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000833382071 605276006 /nfs/dbraw/zinc/27/60/06/605276006.db2.gz KUNUMKGLIXLESG-CMPYXILNSA-N -1 1 334.391 2.236 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)n[nH]1 ZINC000833674832 605283293 /nfs/dbraw/zinc/28/32/93/605283293.db2.gz WVFGUQIYCGEFOO-ZETCQYMHSA-N -1 1 336.327 2.479 20 0 EEADMM C[C@@H](CN(CN1C[C@@H](c2ccccc2F)CC1=O)C1CC1)C(=O)[O-] ZINC000833516138 605345278 /nfs/dbraw/zinc/34/52/78/605345278.db2.gz FPCLBCHBTCDHCH-STQMWFEESA-N -1 1 334.391 2.284 20 0 EEADMM CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833471495 605553978 /nfs/dbraw/zinc/55/39/78/605553978.db2.gz LHYGCUXVVXYLKJ-CQSZACIVSA-N -1 1 345.403 2.065 20 0 EEADMM CN(Cc1cc(C(=O)[O-])ccc1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000833694137 605832751 /nfs/dbraw/zinc/83/27/51/605832751.db2.gz BHBDZOGVQWKNIT-HNNXBMFYSA-N -1 1 344.390 2.415 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000819971357 606063141 /nfs/dbraw/zinc/06/31/41/606063141.db2.gz JAJXPNAIYYZNGV-KTKRTIGZSA-N -1 1 337.387 2.470 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000819971357 606063147 /nfs/dbraw/zinc/06/31/47/606063147.db2.gz JAJXPNAIYYZNGV-KTKRTIGZSA-N -1 1 337.387 2.470 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2n1C ZINC000820508713 606127091 /nfs/dbraw/zinc/12/70/91/606127091.db2.gz VXMZQTHLOQWMHU-SNVBAGLBSA-N -1 1 349.354 2.066 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2n1C ZINC000820508713 606127092 /nfs/dbraw/zinc/12/70/92/606127092.db2.gz VXMZQTHLOQWMHU-SNVBAGLBSA-N -1 1 349.354 2.066 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OC(F)F)cc1 ZINC000823294819 606195466 /nfs/dbraw/zinc/19/54/66/606195466.db2.gz SFVXRDLCNPYNOQ-UHFFFAOYSA-N -1 1 347.281 2.426 20 0 EEADMM Clc1ccc(Nc2cnn(C[C@H]3CCCO3)c2)nc1-c1nnn[n-]1 ZINC000822578051 606457573 /nfs/dbraw/zinc/45/75/73/606457573.db2.gz AXDIQXWSEMNUOV-SNVBAGLBSA-N -1 1 346.782 2.034 20 0 EEADMM Clc1ccc(Nc2cnn(C[C@H]3CCCO3)c2)nc1-c1nn[n-]n1 ZINC000822578051 606457574 /nfs/dbraw/zinc/45/75/74/606457574.db2.gz AXDIQXWSEMNUOV-SNVBAGLBSA-N -1 1 346.782 2.034 20 0 EEADMM Cc1cc(C)cc(OCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822197647 606533483 /nfs/dbraw/zinc/53/34/83/606533483.db2.gz JNJVYPAZZGWFMH-UHFFFAOYSA-N -1 1 343.412 2.354 20 0 EEADMM Cc1cc(C)cc(OCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822197647 606533484 /nfs/dbraw/zinc/53/34/84/606533484.db2.gz JNJVYPAZZGWFMH-UHFFFAOYSA-N -1 1 343.412 2.354 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2F)c1ccc(-c2nnn[n-]2)s1 ZINC000823161628 606534113 /nfs/dbraw/zinc/53/41/13/606534113.db2.gz PAVGWNGQAPNYPV-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2F)c1ccc(-c2nn[n-]n2)s1 ZINC000823161628 606534114 /nfs/dbraw/zinc/53/41/14/606534114.db2.gz PAVGWNGQAPNYPV-NSHDSACASA-N -1 1 329.360 2.485 20 0 EEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821421667 606553272 /nfs/dbraw/zinc/55/32/72/606553272.db2.gz CBUIKSGTBRWUHA-UHFFFAOYSA-N -1 1 347.375 2.396 20 0 EEADMM CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821421667 606553273 /nfs/dbraw/zinc/55/32/73/606553273.db2.gz CBUIKSGTBRWUHA-UHFFFAOYSA-N -1 1 347.375 2.396 20 0 EEADMM O=C(NCCCc1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823196269 606558064 /nfs/dbraw/zinc/55/80/64/606558064.db2.gz BRUBXOWIXSHHAE-UHFFFAOYSA-N -1 1 331.376 2.430 20 0 EEADMM O=C(NCCCc1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196269 606558066 /nfs/dbraw/zinc/55/80/66/606558066.db2.gz BRUBXOWIXSHHAE-UHFFFAOYSA-N -1 1 331.376 2.430 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccc(-c2nnn[n-]2)s1 ZINC000823161958 606562557 /nfs/dbraw/zinc/56/25/57/606562557.db2.gz PYVZTXGNBIIZQI-JTQLQIEISA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccc(-c2nn[n-]n2)s1 ZINC000823161958 606562560 /nfs/dbraw/zinc/56/25/60/606562560.db2.gz PYVZTXGNBIIZQI-JTQLQIEISA-N -1 1 327.369 2.051 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821357389 606571257 /nfs/dbraw/zinc/57/12/57/606571257.db2.gz CWMOYRZWGHAODO-VXGBXAGGSA-N -1 1 335.433 2.204 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821357389 606571258 /nfs/dbraw/zinc/57/12/58/606571258.db2.gz CWMOYRZWGHAODO-VXGBXAGGSA-N -1 1 335.433 2.204 20 0 EEADMM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822259011 606576814 /nfs/dbraw/zinc/57/68/14/606576814.db2.gz JQACQZFZZSXTJR-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822259011 606576815 /nfs/dbraw/zinc/57/68/15/606576815.db2.gz JQACQZFZZSXTJR-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCCC2 ZINC000821362056 606577548 /nfs/dbraw/zinc/57/75/48/606577548.db2.gz XYGPKQUWRLSAQZ-QWHCGFSZSA-N -1 1 347.444 2.396 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCCC2 ZINC000821362056 606577551 /nfs/dbraw/zinc/57/75/51/606577551.db2.gz XYGPKQUWRLSAQZ-QWHCGFSZSA-N -1 1 347.444 2.396 20 0 EEADMM Cc1cccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000822303835 606592714 /nfs/dbraw/zinc/59/27/14/606592714.db2.gz LMWYVLHNYYHSLE-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM Cc1cccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000822303835 606592716 /nfs/dbraw/zinc/59/27/16/606592716.db2.gz LMWYVLHNYYHSLE-UHFFFAOYSA-N -1 1 332.371 2.150 20 0 EEADMM CO[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678644 606609645 /nfs/dbraw/zinc/60/96/45/606609645.db2.gz QKKJSGZDGHRJAB-NWDGAFQWSA-N -1 1 325.376 2.035 20 0 EEADMM CO[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678644 606609646 /nfs/dbraw/zinc/60/96/46/606609646.db2.gz QKKJSGZDGHRJAB-NWDGAFQWSA-N -1 1 325.376 2.035 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1Cl ZINC000823435847 606648494 /nfs/dbraw/zinc/64/84/94/606648494.db2.gz BISSRNOJGAMGQC-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1Cl ZINC000823435847 606648495 /nfs/dbraw/zinc/64/84/95/606648495.db2.gz BISSRNOJGAMGQC-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822929138 606651202 /nfs/dbraw/zinc/65/12/02/606651202.db2.gz QFHHLYKKSUXLLO-PLNGDYQASA-N -1 1 325.303 2.157 20 0 EEADMM O=C(C=Cc1cccc(F)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822929138 606651203 /nfs/dbraw/zinc/65/12/03/606651203.db2.gz QFHHLYKKSUXLLO-PLNGDYQASA-N -1 1 325.303 2.157 20 0 EEADMM CC(=O)Oc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819826596 606829759 /nfs/dbraw/zinc/82/97/59/606829759.db2.gz KIIBHSMSZAOSNX-UHFFFAOYSA-N -1 1 344.352 2.211 20 0 EEADMM CC(=O)Oc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819826596 606829761 /nfs/dbraw/zinc/82/97/61/606829761.db2.gz KIIBHSMSZAOSNX-UHFFFAOYSA-N -1 1 344.352 2.211 20 0 EEADMM C[C@@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)COc1ccccc1 ZINC000820286818 606896742 /nfs/dbraw/zinc/89/67/42/606896742.db2.gz GFQRRJNLYLYOFA-GFCCVEGCSA-N -1 1 339.355 2.134 20 0 EEADMM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)COc1ccccc1 ZINC000820286818 606896743 /nfs/dbraw/zinc/89/67/43/606896743.db2.gz GFQRRJNLYLYOFA-GFCCVEGCSA-N -1 1 339.355 2.134 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2c(cc1O)CCCC2 ZINC000823379626 607103559 /nfs/dbraw/zinc/10/35/59/607103559.db2.gz BFHHSFPEXBLUBX-UHFFFAOYSA-N -1 1 342.384 2.160 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2c(cc1O)CCCC2 ZINC000823379626 607103560 /nfs/dbraw/zinc/10/35/60/607103560.db2.gz BFHHSFPEXBLUBX-UHFFFAOYSA-N -1 1 342.384 2.160 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2c(cccc2F)[nH]1 ZINC000823380096 607105683 /nfs/dbraw/zinc/10/56/83/607105683.db2.gz PZKWSAGKLJIPPC-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2c(cccc2F)[nH]1 ZINC000823380096 607105684 /nfs/dbraw/zinc/10/56/84/607105684.db2.gz PZKWSAGKLJIPPC-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820298866 607106305 /nfs/dbraw/zinc/10/63/05/607106305.db2.gz BSDAZYYNIZQVKX-QMMMGPOBSA-N -1 1 332.364 2.280 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000820298866 607106307 /nfs/dbraw/zinc/10/63/07/607106307.db2.gz BSDAZYYNIZQVKX-QMMMGPOBSA-N -1 1 332.364 2.280 20 0 EEADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819782608 607234227 /nfs/dbraw/zinc/23/42/27/607234227.db2.gz OYWFSZDUSKYTQK-SNVBAGLBSA-N -1 1 331.376 2.296 20 0 EEADMM CC[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(C)noc1C ZINC000825039376 607997808 /nfs/dbraw/zinc/99/78/08/607997808.db2.gz RAXFMEIJVFCGPY-LLVKDONJSA-N -1 1 342.359 2.309 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824883640 608195601 /nfs/dbraw/zinc/19/56/01/608195601.db2.gz IFTIIAWWZXWYQT-MNOVXSKESA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@H]1C[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824883640 608195602 /nfs/dbraw/zinc/19/56/02/608195602.db2.gz IFTIIAWWZXWYQT-MNOVXSKESA-N -1 1 325.376 2.037 20 0 EEADMM CC(C)[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824214445 608242451 /nfs/dbraw/zinc/24/24/51/608242451.db2.gz GVFYLZWEWSVDFW-BXUZGUMPSA-N -1 1 339.403 2.425 20 0 EEADMM CC(C)[C@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824214445 608242453 /nfs/dbraw/zinc/24/24/53/608242453.db2.gz GVFYLZWEWSVDFW-BXUZGUMPSA-N -1 1 339.403 2.425 20 0 EEADMM COCCOc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1Cl ZINC000826162601 608403362 /nfs/dbraw/zinc/40/33/62/608403362.db2.gz JVAUOIBNJQZJFJ-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM COCCOc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1Cl ZINC000826162601 608403363 /nfs/dbraw/zinc/40/33/63/608403363.db2.gz JVAUOIBNJQZJFJ-UHFFFAOYSA-N -1 1 347.766 2.079 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nnn[n-]3)nn1)CCCO2 ZINC000826376216 608403863 /nfs/dbraw/zinc/40/38/63/608403863.db2.gz SZHLXSUZSYFOMW-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1ccc(-c3nn[n-]n3)nn1)CCCO2 ZINC000826376216 608403864 /nfs/dbraw/zinc/40/38/64/608403864.db2.gz SZHLXSUZSYFOMW-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H](CCO)c1ccccc1 ZINC000825826061 608468802 /nfs/dbraw/zinc/46/88/02/608468802.db2.gz UPMUKDLIUSYUGE-LBPRGKRZSA-N -1 1 343.412 2.124 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H](CCO)c1ccccc1 ZINC000825826061 608468803 /nfs/dbraw/zinc/46/88/03/608468803.db2.gz UPMUKDLIUSYUGE-LBPRGKRZSA-N -1 1 343.412 2.124 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1C=CCC1 ZINC000826340847 609160184 /nfs/dbraw/zinc/16/01/84/609160184.db2.gz MWMCDKZYNLJULK-LLVKDONJSA-N -1 1 325.328 2.434 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1C=CCC1 ZINC000826340847 609160187 /nfs/dbraw/zinc/16/01/87/609160187.db2.gz MWMCDKZYNLJULK-LLVKDONJSA-N -1 1 325.328 2.434 20 0 EEADMM CC1CC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824868003 609289070 /nfs/dbraw/zinc/28/90/70/609289070.db2.gz SBSUBGIZLNDPBQ-UHFFFAOYSA-N -1 1 341.350 2.176 20 0 EEADMM CC[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825052437 609290458 /nfs/dbraw/zinc/29/04/58/609290458.db2.gz WMVHEPOBIDHKHY-VIFPVBQESA-N -1 1 329.339 2.176 20 0 EEADMM CC(C)n1c(CCNC(=O)c2ccc3c(c2)CCO3)n[n-]c1=S ZINC000067074795 674599195 /nfs/dbraw/zinc/59/91/95/674599195.db2.gz HOQYNCWYTAAAJB-UHFFFAOYSA-N -1 1 332.429 2.429 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H](C)c3ccc(F)cc3)C2)c1[O-] ZINC000969500599 675075565 /nfs/dbraw/zinc/07/55/65/675075565.db2.gz RZNLEEGXSIYCSY-ZYHUDNBSSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1nc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)sc1C ZINC000969543394 675099199 /nfs/dbraw/zinc/09/91/99/675099199.db2.gz NAJAALXDQZDOCS-LLVKDONJSA-N -1 1 346.456 2.111 20 0 EEADMM COCc1nc(N2CCC[C@H]2c2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC000892313433 678713726 /nfs/dbraw/zinc/71/37/26/678713726.db2.gz CCDBFAFOOUWHMZ-LBPRGKRZSA-N -1 1 329.356 2.399 20 0 EEADMM O=C(N[C@@H]1C=CCC1)c1cc(I)ccc1[O-] ZINC000829341866 679072089 /nfs/dbraw/zinc/07/20/89/679072089.db2.gz FTFPSZZASVQHLL-SECBINFHSA-N -1 1 329.137 2.445 20 0 EEADMM O=C(COC(=O)Cn1ccc2ccccc21)[N-]C(=O)c1ccccc1 ZINC000052374829 679130695 /nfs/dbraw/zinc/13/06/95/679130695.db2.gz YCCGDPUBJYEDAB-UHFFFAOYSA-N -1 1 336.347 2.141 20 0 EEADMM Cc1nc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])oc1C ZINC001024407861 679891948 /nfs/dbraw/zinc/89/19/48/679891948.db2.gz RYRRZULQYUXBHF-CQSZACIVSA-N -1 1 344.415 2.177 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C=C1CCC1 ZINC000984801856 685270676 /nfs/dbraw/zinc/27/06/76/685270676.db2.gz ZEJOMHJDKCEJDS-UONOGXRCSA-N -1 1 329.400 2.007 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000909535403 685277016 /nfs/dbraw/zinc/27/70/16/685277016.db2.gz WUSTYKJOASHMAJ-LPHOPBHVSA-N -1 1 332.444 2.311 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc3ccccc3o2)o1 ZINC000177856036 681555358 /nfs/dbraw/zinc/55/53/58/681555358.db2.gz REPQJCDOGKGDPG-UHFFFAOYSA-N -1 1 335.337 2.291 20 0 EEADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024967515 681651026 /nfs/dbraw/zinc/65/10/26/681651026.db2.gz STKPCMMBWMZUEJ-BFHYXJOUSA-N -1 1 349.479 2.053 20 0 EEADMM CN(C(=O)C1=CCCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219854 681723987 /nfs/dbraw/zinc/72/39/87/681723987.db2.gz JWDKJUBDTDPEOP-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)c3ncccc3O)C2)on1 ZINC001025397080 682671229 /nfs/dbraw/zinc/67/12/29/682671229.db2.gz LLUVUPHETFRYHO-UONOGXRCSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983466531 682710244 /nfs/dbraw/zinc/71/02/44/682710244.db2.gz BRABPZFGRSXWEH-QWHCGFSZSA-N -1 1 343.383 2.160 20 0 EEADMM COCc1nc(N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc(=O)[n-]1 ZINC000894381950 682749900 /nfs/dbraw/zinc/74/99/00/682749900.db2.gz WDGQIWPTWGWEBM-KRWDZBQOSA-N -1 1 349.818 2.470 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1)c1ncccc1[O-] ZINC000983586454 682904641 /nfs/dbraw/zinc/90/46/41/682904641.db2.gz VJQLDDBZWRKWQQ-KGLIPLIRSA-N -1 1 343.427 2.135 20 0 EEADMM O=C(C=C1CCC1)N[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001025899307 683605520 /nfs/dbraw/zinc/60/55/20/683605520.db2.gz APWAMAAHLGPSEA-CABCVRRESA-N -1 1 341.411 2.055 20 0 EEADMM CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H]1C ZINC000992929546 683649531 /nfs/dbraw/zinc/64/95/31/683649531.db2.gz OHPCQBWOHTYNCL-SUMWQHHRSA-N -1 1 340.427 2.338 20 0 EEADMM COc1ccc(NC(=O)N2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000914463691 683801759 /nfs/dbraw/zinc/80/17/59/683801759.db2.gz WVUCIEGLICVESR-UHFFFAOYSA-N -1 1 327.406 2.085 20 0 EEADMM CC(C)(CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc(F)cc1 ZINC000866902028 684354221 /nfs/dbraw/zinc/35/42/21/684354221.db2.gz VGNHIRGQLIXGPY-GFCCVEGCSA-N -1 1 331.395 2.413 20 0 EEADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C[N@H+](C)C(C)C)c1C ZINC000324031108 684602467 /nfs/dbraw/zinc/60/24/67/684602467.db2.gz UJCYHNPSASEJLC-GFCCVEGCSA-N -1 1 342.461 2.009 20 0 EEADMM O=C(C[C@H]1CCC2(CCC2)CO1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000895836648 684743779 /nfs/dbraw/zinc/74/37/79/684743779.db2.gz CZTZTBFYNCGHRH-GDBMZVCRSA-N -1 1 341.415 2.145 20 0 EEADMM CCC1(Cn2cc(-c3nc(-c4ccc([O-])cc4F)no3)nn2)COC1 ZINC000896220174 684900463 /nfs/dbraw/zinc/90/04/63/684900463.db2.gz BZFVHYCEVWLBOJ-UHFFFAOYSA-N -1 1 345.334 2.266 20 0 EEADMM COc1ccc(OCCN(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899976144 693952072 /nfs/dbraw/zinc/95/20/72/693952072.db2.gz YISNVBUTSBPPFC-UHFFFAOYSA-N -1 1 343.383 2.219 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000896964335 686015174 /nfs/dbraw/zinc/01/51/74/686015174.db2.gz BEGLDFNITVHJGJ-HOTGVXAUSA-N -1 1 340.379 2.134 20 0 EEADMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866913418 686399914 /nfs/dbraw/zinc/39/99/14/686399914.db2.gz JXGRUMGPHHLYLB-LBPRGKRZSA-N -1 1 325.333 2.227 20 0 EEADMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)N=S(=O)(CC)CC ZINC000866915976 686424058 /nfs/dbraw/zinc/42/40/58/686424058.db2.gz NQDAAWCUQWCWAG-WDEREUQCSA-N -1 1 328.525 2.003 20 0 EEADMM C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1cc(O)cc(Br)c1[O-] ZINC000249424257 694059276 /nfs/dbraw/zinc/05/92/76/694059276.db2.gz FDWJHFWJUXIGHG-QUUYKZCZSA-N -1 1 341.205 2.089 20 0 EEADMM CCC1(C(=O)N2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000975905426 686985666 /nfs/dbraw/zinc/98/56/66/686985666.db2.gz NQPYMCYYLDDJED-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001029757269 687021727 /nfs/dbraw/zinc/02/17/27/687021727.db2.gz WEWMUVANOTTWDE-ZDUSSCGKSA-N -1 1 349.479 2.007 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1ccc(Cl)cc1 ZINC000909628992 687215170 /nfs/dbraw/zinc/21/51/70/687215170.db2.gz PVZGMMYCGIFMDN-LSDHHAIUSA-N -1 1 347.802 2.323 20 0 EEADMM CC1(C)CCCC[C@@H]1CC(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990975357 694140099 /nfs/dbraw/zinc/14/00/99/694140099.db2.gz QDDLYEHTJDKYGY-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001029986516 688873136 /nfs/dbraw/zinc/87/31/36/688873136.db2.gz DVPDNKMTBVNNMG-CQSZACIVSA-N -1 1 349.479 2.007 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029993080 689104603 /nfs/dbraw/zinc/10/46/03/689104603.db2.gz SVXITBFVXQUPRX-LSDHHAIUSA-N -1 1 349.479 2.007 20 0 EEADMM CC1(C)C[C@H]1C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986999576 689202455 /nfs/dbraw/zinc/20/24/55/689202455.db2.gz LBRZOVSTIBIXJU-KBPBESRZSA-N -1 1 345.443 2.334 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ZINC001609253211 1351909639 /nfs/dbraw/zinc/90/96/39/1351909639.db2.gz XFNQOGGGBGMENJ-UHFFFAOYSA-N -1 1 329.385 2.172 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609273564 1351917359 /nfs/dbraw/zinc/91/73/59/1351917359.db2.gz PZBOBUSXPAQEEL-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609273564 1351917364 /nfs/dbraw/zinc/91/73/64/1351917364.db2.gz PZBOBUSXPAQEEL-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM COc1ccc(Cl)c(COC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001609356534 1351945134 /nfs/dbraw/zinc/94/51/34/1351945134.db2.gz NUQLTGMAMLYUTA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1ccc(Cl)c(COC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001609356534 1351945136 /nfs/dbraw/zinc/94/51/36/1351945136.db2.gz NUQLTGMAMLYUTA-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC23CC3)c1-c1nn[n-]n1 ZINC001609374225 1351950488 /nfs/dbraw/zinc/95/04/88/1351950488.db2.gz NHUSEFPXZDKKFW-LLVKDONJSA-N -1 1 342.428 2.143 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC001609392520 1351957866 /nfs/dbraw/zinc/95/78/66/1351957866.db2.gz SUPLADJFHVJSTK-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cccc(-n3cccn3)c2)n1 ZINC001609392520 1351957867 /nfs/dbraw/zinc/95/78/67/1351957867.db2.gz SUPLADJFHVJSTK-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(C)cc(OCCCn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001609398441 1351960486 /nfs/dbraw/zinc/96/04/86/1351960486.db2.gz PJEGUORTCOZIFS-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM Cc1cc(F)c(C(=O)OCc2cccnc2-c2nnn[n-]2)cc1F ZINC001609403557 1351962825 /nfs/dbraw/zinc/96/28/25/1351962825.db2.gz AXTMRQQMCDCNJN-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(F)c(C(=O)OCc2cccnc2-c2nn[n-]n2)cc1F ZINC001609403557 1351962829 /nfs/dbraw/zinc/96/28/29/1351962829.db2.gz AXTMRQQMCDCNJN-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cc(N2CCO[C@H](c3cccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001609405457 1351963210 /nfs/dbraw/zinc/96/32/10/1351963210.db2.gz LMOFXQACAUUXBK-ZDUSSCGKSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1cc(N2CCO[C@H](c3cccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001609405457 1351963213 /nfs/dbraw/zinc/96/32/13/1351963213.db2.gz LMOFXQACAUUXBK-ZDUSSCGKSA-N -1 1 328.401 2.210 20 0 EEADMM Cc1nsc(N2CCO[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC001609465488 1351987555 /nfs/dbraw/zinc/98/75/55/1351987555.db2.gz UIZRKGNLRFQENT-GFCCVEGCSA-N -1 1 346.391 2.349 20 0 EEADMM Cc1nsc(NCc2nccn2-c2ccccc2)c1-c1nn[n-]n1 ZINC001609466239 1351988109 /nfs/dbraw/zinc/98/81/09/1351988109.db2.gz KPNACCJYAFNTLS-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1sc(NC(=O)COc2cccnc2-c2nnn[n-]2)c(C)c1C ZINC001609471856 1351990370 /nfs/dbraw/zinc/99/03/70/1351990370.db2.gz XJRCWEIPFNOGJM-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Cc1sc(NC(=O)COc2cccnc2-c2nn[n-]n2)c(C)c1C ZINC001609471856 1351990372 /nfs/dbraw/zinc/99/03/72/1351990372.db2.gz XJRCWEIPFNOGJM-UHFFFAOYSA-N -1 1 344.400 2.266 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c(F)c1 ZINC001609490224 1351996552 /nfs/dbraw/zinc/99/65/52/1351996552.db2.gz JISITLSYAHKDNW-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c(F)c1 ZINC001609490224 1351996553 /nfs/dbraw/zinc/99/65/53/1351996553.db2.gz JISITLSYAHKDNW-CYBMUJFWSA-N -1 1 329.314 2.276 20 0 EEADMM c1ccc(-c2cccc(CNc3ccnc(-c4nnn[n-]4)c3)c2)nc1 ZINC001609615867 1352039768 /nfs/dbraw/zinc/03/97/68/1352039768.db2.gz ZFKRAGACSNRGLC-UHFFFAOYSA-N -1 1 329.367 2.358 20 0 EEADMM c1ccc(-c2cccc(CNc3ccnc(-c4nn[n-]n4)c3)c2)nc1 ZINC001609615867 1352039770 /nfs/dbraw/zinc/03/97/70/1352039770.db2.gz ZFKRAGACSNRGLC-UHFFFAOYSA-N -1 1 329.367 2.358 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001609637530 1352047561 /nfs/dbraw/zinc/04/75/61/1352047561.db2.gz ZPUFNFBPWMLLNX-MGPLVRAMSA-N -1 1 326.343 2.479 20 0 EEADMM CC(C)(C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1cnc[nH]1 ZINC001609647983 1352049557 /nfs/dbraw/zinc/04/95/57/1352049557.db2.gz HKZLLXPEEJYNCZ-UHFFFAOYSA-N -1 1 345.384 2.476 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])s2)n[nH]1 ZINC001609721297 1352068375 /nfs/dbraw/zinc/06/83/75/1352068375.db2.gz DSPGVQUFLMMFFR-QMMMGPOBSA-N -1 1 337.405 2.248 20 0 EEADMM CC[C@H](F)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC001337210753 1336663990 /nfs/dbraw/zinc/66/39/90/1336663990.db2.gz FPYUEKVSPVBLMX-NSHDSACASA-N -1 1 332.397 2.109 20 0 EEADMM C[C@@H](NC(=O)[C@H](C)N[C@@H](C(=O)[O-])C1CC1)c1cc2ccccc2o1 ZINC001609772645 1352081478 /nfs/dbraw/zinc/08/14/78/1352081478.db2.gz DTODWCCMMIKRQC-OHUAYANFSA-N -1 1 330.384 2.451 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1CCN1CCc2ccccc21 ZINC001609854930 1352103311 /nfs/dbraw/zinc/10/33/11/1352103311.db2.gz WSEFJNBUYWRSHU-QCSYZSNVSA-N -1 1 330.428 2.144 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC001609870159 1352107354 /nfs/dbraw/zinc/10/73/54/1352107354.db2.gz ZLHFCARAKFBFQX-HSWBROFVSA-N -1 1 334.391 2.236 20 0 EEADMM CCCN(C(=O)Nc1cc(OC)ccc1C(=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC001609972476 1352133089 /nfs/dbraw/zinc/13/30/89/1352133089.db2.gz DYTCPAPPSOJDMU-LBPRGKRZSA-N -1 1 335.404 2.341 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC001610242807 1352193405 /nfs/dbraw/zinc/19/34/05/1352193405.db2.gz YOCRYDMFGWQUOO-UHFFFAOYSA-N -1 1 349.431 2.268 20 0 EEADMM COCc1nc(C)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC001610272102 1352197766 /nfs/dbraw/zinc/19/77/66/1352197766.db2.gz KMPFTGKTCYZOOT-UHFFFAOYSA-N -1 1 346.368 2.425 20 0 EEADMM COc1cc(CN2CCC[C@H]2C(=O)NCC(=O)[O-])cc2ccccc21 ZINC001610297263 1352201444 /nfs/dbraw/zinc/20/14/44/1352201444.db2.gz INOCAPCYDKLXPY-INIZCTEOSA-N -1 1 342.395 2.014 20 0 EEADMM CCO/C=C\[C@](O)(CNC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000848181829 1338557521 /nfs/dbraw/zinc/55/75/21/1338557521.db2.gz CSVNHHDYLKOTAQ-SZZPACECSA-N -1 1 337.269 2.105 20 0 EEADMM COc1cccc(/C(C)=C\C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001610355065 1352210010 /nfs/dbraw/zinc/21/00/10/1352210010.db2.gz CSTCESZHTIWACB-SZGZABIGSA-N -1 1 346.427 2.106 20 0 EEADMM O=C([N-]CCOCCOC(=O)C12CCC(CC1)CC2)C(F)(F)F ZINC001358335885 1339040566 /nfs/dbraw/zinc/04/05/66/1339040566.db2.gz NWRGKMIXTLGNLX-UHFFFAOYSA-N -1 1 337.338 2.195 20 0 EEADMM Cc1ccccc1C1(NCC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC001610530203 1352239705 /nfs/dbraw/zinc/23/97/05/1352239705.db2.gz GVZQVIDHVODFKB-UHFFFAOYSA-N -1 1 330.428 2.477 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2ncccc2[O-])s1 ZINC001416209859 1339116370 /nfs/dbraw/zinc/11/63/70/1339116370.db2.gz QDIJHIFRLOBJSZ-NSHDSACASA-N -1 1 347.440 2.350 20 0 EEADMM Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(C(=O)[O-])n(C)c2)C1 ZINC001610575772 1352247779 /nfs/dbraw/zinc/24/77/79/1352247779.db2.gz NJMFGWQAFAGWCE-AWEZNQCLSA-N -1 1 333.388 2.119 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001427642642 1339328166 /nfs/dbraw/zinc/32/81/66/1339328166.db2.gz CMCRNKVBDLKCSR-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cn1ccnc1-c1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)[nH]n1 ZINC001610609661 1352253614 /nfs/dbraw/zinc/25/36/14/1352253614.db2.gz YOMZBHSLYBGLFZ-UHFFFAOYSA-N -1 1 344.306 2.292 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CC(NC(=O)CC(C)(C)C2CC2)C1 ZINC001428465014 1339525749 /nfs/dbraw/zinc/52/57/49/1339525749.db2.gz ACCSGXRWQKMODG-UHFFFAOYSA-N -1 1 345.443 2.333 20 0 EEADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c1 ZINC001610796815 1352276016 /nfs/dbraw/zinc/27/60/16/1352276016.db2.gz NZVOAWTVYRDROF-UHFFFAOYSA-N -1 1 332.381 2.387 20 0 EEADMM O=C(Cc1csc(Cc2ccc(F)cc2)n1)Nc1c[n-][nH]c1=O ZINC001611379384 1352300006 /nfs/dbraw/zinc/30/00/06/1352300006.db2.gz GENCQXXRFMOGTA-UHFFFAOYSA-N -1 1 332.360 2.483 20 0 EEADMM CCCC1(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001431428550 1340592375 /nfs/dbraw/zinc/59/23/75/1340592375.db2.gz OEVWXAFZZJHYBN-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c(=O)[n-]1 ZINC001618048058 1352347644 /nfs/dbraw/zinc/34/76/44/1352347644.db2.gz VSLPAQPPKJXUSB-UHFFFAOYSA-N -1 1 342.380 2.008 20 0 EEADMM CCc1nc(NCc2cc(-c3ccccc3)no2)cc(-c2nnn[n-]2)n1 ZINC001578669121 1344293530 /nfs/dbraw/zinc/29/35/30/1344293530.db2.gz AXJDYCASYGKMLI-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CCc1nc(NCc2cc(-c3ccccc3)no2)cc(-c2nn[n-]n2)n1 ZINC001578669121 1344293533 /nfs/dbraw/zinc/29/35/33/1344293533.db2.gz AXJDYCASYGKMLI-UHFFFAOYSA-N -1 1 348.370 2.486 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1Cl ZINC001578880138 1344313607 /nfs/dbraw/zinc/31/36/07/1344313607.db2.gz UWWFQHUEUMWDLR-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1Cl ZINC001578880138 1344313609 /nfs/dbraw/zinc/31/36/09/1344313609.db2.gz UWWFQHUEUMWDLR-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001579988844 1344444400 /nfs/dbraw/zinc/44/44/00/1344444400.db2.gz UWUSCOVXNLNFRN-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1ccc(C(C)(C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001579988844 1344444401 /nfs/dbraw/zinc/44/44/01/1344444401.db2.gz UWUSCOVXNLNFRN-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM COc1ncc(NC(=O)CCCc2ccccc2)cc1-c1nn[n-]n1 ZINC001580133375 1344477769 /nfs/dbraw/zinc/47/77/69/1344477769.db2.gz MSOBIHMCSASKCI-UHFFFAOYSA-N -1 1 338.371 2.232 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1-c1nn[n-]n1 ZINC001580133291 1344477914 /nfs/dbraw/zinc/47/79/14/1344477914.db2.gz KCVURGHIPBZFFQ-OLZOCXBDSA-N -1 1 342.403 2.447 20 0 EEADMM CSc1c(F)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001580230413 1344495039 /nfs/dbraw/zinc/49/50/39/1344495039.db2.gz DYPHHPZQRHRIGQ-UHFFFAOYSA-N -1 1 344.375 2.304 20 0 EEADMM CSc1c(F)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001580230413 1344495042 /nfs/dbraw/zinc/49/50/42/1344495042.db2.gz DYPHHPZQRHRIGQ-UHFFFAOYSA-N -1 1 344.375 2.304 20 0 EEADMM Cc1ccc2c(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)csc2c1 ZINC001581215503 1344599780 /nfs/dbraw/zinc/59/97/80/1344599780.db2.gz ZPVCODKZZBAXCV-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1cccc(CO[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001581240051 1344604556 /nfs/dbraw/zinc/60/45/56/1344604556.db2.gz AIXRDUHYXPYTJT-GFCCVEGCSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1cccc(CO[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001581240051 1344604563 /nfs/dbraw/zinc/60/45/63/1344604563.db2.gz AIXRDUHYXPYTJT-GFCCVEGCSA-N -1 1 338.371 2.114 20 0 EEADMM Cc1sc(CNc2n[nH]cc2-c2nnn[n-]2)cc1Br ZINC001581740713 1344658633 /nfs/dbraw/zinc/65/86/33/1344658633.db2.gz PEQSVXZUOKMZHE-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1sc(CNc2n[nH]cc2-c2nn[n-]n2)cc1Br ZINC001581740713 1344658637 /nfs/dbraw/zinc/65/86/37/1344658637.db2.gz PEQSVXZUOKMZHE-UHFFFAOYSA-N -1 1 340.210 2.334 20 0 EEADMM Cc1sccc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001581743592 1344659195 /nfs/dbraw/zinc/65/91/95/1344659195.db2.gz RJSNOFCDOPOAGW-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1sccc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001581743592 1344659199 /nfs/dbraw/zinc/65/91/99/1344659199.db2.gz RJSNOFCDOPOAGW-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001582348153 1344740774 /nfs/dbraw/zinc/74/07/74/1344740774.db2.gz ZEQAYFIWFKSBJH-SNVBAGLBSA-N -1 1 347.787 2.445 20 0 EEADMM O=C(NCCc1cccs1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582526934 1344758077 /nfs/dbraw/zinc/75/80/77/1344758077.db2.gz DXPISPRPBOLAKC-UHFFFAOYSA-N -1 1 334.430 2.032 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cc(Cl)ccn1 ZINC001582549991 1344760739 /nfs/dbraw/zinc/76/07/39/1344760739.db2.gz OZHHYNHDCBEGPK-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCCC(F)(F)C1 ZINC001582549394 1344760880 /nfs/dbraw/zinc/76/08/80/1344760880.db2.gz YPSHITYIATWJQL-MRVPVSSYSA-N -1 1 342.375 2.305 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccsc1-c1nnn[n-]1 ZINC001582584036 1344766552 /nfs/dbraw/zinc/76/65/52/1344766552.db2.gz XINNSDHWNWFXJW-NWDGAFQWSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccsc1-c1nn[n-]n1 ZINC001582584036 1344766558 /nfs/dbraw/zinc/76/65/58/1344766558.db2.gz XINNSDHWNWFXJW-NWDGAFQWSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccsc1-c1nnn[n-]1 ZINC001582583984 1344766601 /nfs/dbraw/zinc/76/66/01/1344766601.db2.gz VFMCAVQXEYUUMF-CMPLNLGQSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1ccsc1-c1nn[n-]n1 ZINC001582583984 1344766604 /nfs/dbraw/zinc/76/66/04/1344766604.db2.gz VFMCAVQXEYUUMF-CMPLNLGQSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cncc(Cl)c1 ZINC001582653388 1344778096 /nfs/dbraw/zinc/77/80/96/1344778096.db2.gz HTCRCPXDYVWPOU-UHFFFAOYSA-N -1 1 342.171 2.277 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001582817350 1344796848 /nfs/dbraw/zinc/79/68/48/1344796848.db2.gz DNUQJYRCIXIQIC-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM CC(=O)c1c(C)cc(C)c(Cn2cccc(-c3nn[n-]n3)c2=O)c1C ZINC001588888954 1348941756 /nfs/dbraw/zinc/94/17/56/1348941756.db2.gz JVDWXTNIIOEPFP-UHFFFAOYSA-N -1 1 337.383 2.205 20 0 EEADMM CC(=O)c1ccc(N(C)C)cc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001588915471 1348947608 /nfs/dbraw/zinc/94/76/08/1348947608.db2.gz GUZCDAIHNWJIJR-UHFFFAOYSA-N -1 1 344.400 2.171 20 0 EEADMM CC(=O)c1ccc(N(C)C)cc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001588915471 1348947609 /nfs/dbraw/zinc/94/76/09/1348947609.db2.gz GUZCDAIHNWJIJR-UHFFFAOYSA-N -1 1 344.400 2.171 20 0 EEADMM CC(C)(C)C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001589078911 1348957445 /nfs/dbraw/zinc/95/74/45/1348957445.db2.gz ANZPMTOEKVGVOZ-UHFFFAOYSA-N -1 1 344.419 2.114 20 0 EEADMM CC(C)(C)OCc1cccc(Nc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001589199040 1348969838 /nfs/dbraw/zinc/96/98/38/1348969838.db2.gz UXFZRSKMTFCABD-UHFFFAOYSA-N -1 1 325.376 2.137 20 0 EEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589324691 1348983675 /nfs/dbraw/zinc/98/36/75/1348983675.db2.gz OPHBEFUPKMRQED-UHFFFAOYSA-N -1 1 349.441 2.142 20 0 EEADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589324691 1348983680 /nfs/dbraw/zinc/98/36/80/1348983680.db2.gz OPHBEFUPKMRQED-UHFFFAOYSA-N -1 1 349.441 2.142 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1C(C)C ZINC001589511027 1348999597 /nfs/dbraw/zinc/99/95/97/1348999597.db2.gz SDVGBABDMROXGX-SMDDNHRTSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1C(C)C ZINC001589511027 1348999599 /nfs/dbraw/zinc/99/95/99/1348999599.db2.gz SDVGBABDMROXGX-SMDDNHRTSA-N -1 1 329.408 2.406 20 0 EEADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(-n2cccn2)c1 ZINC001589987016 1349094275 /nfs/dbraw/zinc/09/42/75/1349094275.db2.gz BHJSKCHCWQPSGO-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(-n2cccn2)c1 ZINC001589987016 1349094280 /nfs/dbraw/zinc/09/42/80/1349094280.db2.gz BHJSKCHCWQPSGO-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM CC1(C)C[C@@H](CNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC001590079033 1349141671 /nfs/dbraw/zinc/14/16/71/1349141671.db2.gz BDRSVIKLPDAIDI-NSHDSACASA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)C[C@@H](CNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC001590079033 1349141677 /nfs/dbraw/zinc/14/16/77/1349141677.db2.gz BDRSVIKLPDAIDI-NSHDSACASA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)C[C@]1(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590087679 1349146662 /nfs/dbraw/zinc/14/66/62/1349146662.db2.gz WWOFWVKMYSWAPF-IBGZPJMESA-N -1 1 348.410 2.246 20 0 EEADMM CC1(C)C[C@]1(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590087679 1349146668 /nfs/dbraw/zinc/14/66/68/1349146668.db2.gz WWOFWVKMYSWAPF-IBGZPJMESA-N -1 1 348.410 2.246 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001590141587 1349173009 /nfs/dbraw/zinc/17/30/09/1349173009.db2.gz KGTSAMLHNIRZHX-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM CC1(c2cc(NC(=O)c3cccc(-c4nnn[n-]4)n3)no2)CCCC1 ZINC001590153051 1349176673 /nfs/dbraw/zinc/17/66/73/1349176673.db2.gz OSTHHPFBXQAYMR-UHFFFAOYSA-N -1 1 339.359 2.334 20 0 EEADMM CC1(c2cc(NC(=O)c3cccc(-c4nn[n-]n4)n3)no2)CCCC1 ZINC001590153051 1349176675 /nfs/dbraw/zinc/17/66/75/1349176675.db2.gz OSTHHPFBXQAYMR-UHFFFAOYSA-N -1 1 339.359 2.334 20 0 EEADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590189431 1349191207 /nfs/dbraw/zinc/19/12/07/1349191207.db2.gz CHWOXFUURYFIRC-IONNQARKSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590189431 1349191209 /nfs/dbraw/zinc/19/12/09/1349191209.db2.gz CHWOXFUURYFIRC-IONNQARKSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H](c2ccco2)C1 ZINC001590269932 1349241797 /nfs/dbraw/zinc/24/17/97/1349241797.db2.gz IKTPZILHLWMCSY-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H](c2ccco2)C1 ZINC001590269932 1349241806 /nfs/dbraw/zinc/24/18/06/1349241806.db2.gz IKTPZILHLWMCSY-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC2(CCCC2)O1 ZINC001590313518 1349259778 /nfs/dbraw/zinc/25/97/78/1349259778.db2.gz VSXCLKPDGRGSHA-SNVBAGLBSA-N -1 1 334.811 2.453 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC2(CCCC2)O1 ZINC001590313518 1349259781 /nfs/dbraw/zinc/25/97/81/1349259781.db2.gz VSXCLKPDGRGSHA-SNVBAGLBSA-N -1 1 334.811 2.453 20 0 EEADMM C[C@H]1OCC[C@@H]1c1nnc(-c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001590337848 1349274244 /nfs/dbraw/zinc/27/42/44/1349274244.db2.gz PHUJIQGTXKWKKF-SVRRBLITSA-N -1 1 334.286 2.087 20 0 EEADMM C[C@H]1OCC[C@@H]1c1nnc(-c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001590337848 1349274249 /nfs/dbraw/zinc/27/42/49/1349274249.db2.gz PHUJIQGTXKWKKF-SVRRBLITSA-N -1 1 334.286 2.087 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590343065 1349276053 /nfs/dbraw/zinc/27/60/53/1349276053.db2.gz LGFCYBOVKOSROR-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590343065 1349276058 /nfs/dbraw/zinc/27/60/58/1349276058.db2.gz LGFCYBOVKOSROR-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@@H](C)CN(CC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590410839 1349310214 /nfs/dbraw/zinc/31/02/14/1349310214.db2.gz SCEUNLARVIGYQJ-SNVBAGLBSA-N -1 1 341.412 2.063 20 0 EEADMM CC[C@H](COC(=O)c1ccc(-c2nnn[n-]2)nc1)CC(F)(F)F ZINC001590449494 1349330617 /nfs/dbraw/zinc/33/06/17/1349330617.db2.gz UXTXEFCWKWJENN-QMMMGPOBSA-N -1 1 329.282 2.397 20 0 EEADMM CC[C@H](COC(=O)c1ccc(-c2nn[n-]n2)nc1)CC(F)(F)F ZINC001590449494 1349330623 /nfs/dbraw/zinc/33/06/23/1349330623.db2.gz UXTXEFCWKWJENN-QMMMGPOBSA-N -1 1 329.282 2.397 20 0 EEADMM CCCCn1cc(CNc2ccc(C)nc2-c2nnn[n-]2)c(C)n1 ZINC001590617225 1349377606 /nfs/dbraw/zinc/37/76/06/1349377606.db2.gz XLYSCOUGSLOQHE-UHFFFAOYSA-N -1 1 326.408 2.487 20 0 EEADMM CCCCn1cc(CNc2ccc(C)nc2-c2nn[n-]n2)c(C)n1 ZINC001590617225 1349377612 /nfs/dbraw/zinc/37/76/12/1349377612.db2.gz XLYSCOUGSLOQHE-UHFFFAOYSA-N -1 1 326.408 2.487 20 0 EEADMM CCc1nc(NC[C@H]2CCc3ccccc3C2)cc(-c2nnn[n-]2)n1 ZINC001590918926 1349411732 /nfs/dbraw/zinc/41/17/32/1349411732.db2.gz KEPWRDKVYLTIMD-LBPRGKRZSA-N -1 1 335.415 2.436 20 0 EEADMM CCc1nc(NC[C@H]2CCc3ccccc3C2)cc(-c2nn[n-]n2)n1 ZINC001590918926 1349411735 /nfs/dbraw/zinc/41/17/35/1349411735.db2.gz KEPWRDKVYLTIMD-LBPRGKRZSA-N -1 1 335.415 2.436 20 0 EEADMM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590962231 1349424639 /nfs/dbraw/zinc/42/46/39/1349424639.db2.gz YEPPGBGSTACYEI-NSHDSACASA-N -1 1 341.375 2.044 20 0 EEADMM COC(=O)C1(CCCCNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC001591243062 1349451772 /nfs/dbraw/zinc/45/17/72/1349451772.db2.gz GOAUDIVNGITMSM-UHFFFAOYSA-N -1 1 330.392 2.187 20 0 EEADMM COC(=O)C1(CCCCNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC001591243062 1349451777 /nfs/dbraw/zinc/45/17/77/1349451777.db2.gz GOAUDIVNGITMSM-UHFFFAOYSA-N -1 1 330.392 2.187 20 0 EEADMM CO[C@H](C)c1nc(CNc2cc(C)cc(-c3nnn[n-]3)n2)cs1 ZINC001591325202 1349462650 /nfs/dbraw/zinc/46/26/50/1349462650.db2.gz LYMPBZKZDZLOBJ-SECBINFHSA-N -1 1 331.405 2.346 20 0 EEADMM CO[C@H](C)c1nc(CNc2cc(C)cc(-c3nn[n-]n3)n2)cs1 ZINC001591325202 1349462660 /nfs/dbraw/zinc/46/26/60/1349462660.db2.gz LYMPBZKZDZLOBJ-SECBINFHSA-N -1 1 331.405 2.346 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001591716882 1349534834 /nfs/dbraw/zinc/53/48/34/1349534834.db2.gz DHZIBBHDNBBHFM-GZMMTYOYSA-N -1 1 344.444 2.389 20 0 EEADMM Cc1nc(N[C@H]2CCCc3cn(C(C)C)nc32)cc(-c2nnn[n-]2)n1 ZINC001592383637 1349625874 /nfs/dbraw/zinc/62/58/74/1349625874.db2.gz DHDIFEJDKQOJAH-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1nc(N[C@H]2CCCc3cn(C(C)C)nc32)cc(-c2nn[n-]n2)n1 ZINC001592383637 1349625876 /nfs/dbraw/zinc/62/58/76/1349625876.db2.gz DHDIFEJDKQOJAH-LBPRGKRZSA-N -1 1 339.407 2.232 20 0 EEADMM Cc1nsc(C)c1Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001592468177 1349634772 /nfs/dbraw/zinc/63/47/72/1349634772.db2.gz FVPUUTZYMZIMNQ-UHFFFAOYSA-N -1 1 338.400 2.247 20 0 EEADMM Cc1nsc(NCCC(=O)OC2CCCCC2)c1-c1nn[n-]n1 ZINC001592489877 1349636596 /nfs/dbraw/zinc/63/65/96/1349636596.db2.gz ABKODNXVKQKIEY-UHFFFAOYSA-N -1 1 336.421 2.310 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC001592501864 1349637987 /nfs/dbraw/zinc/63/79/87/1349637987.db2.gz WBBKBYDKCTVFFG-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC001592501864 1349637988 /nfs/dbraw/zinc/63/79/88/1349637988.db2.gz WBBKBYDKCTVFFG-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC001592502102 1349638093 /nfs/dbraw/zinc/63/80/93/1349638093.db2.gz KYYDXRJPRUQNQC-UWVGGRQHSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC1C[C@H](C)O[C@@H](C)C1 ZINC001592502102 1349638094 /nfs/dbraw/zinc/63/80/94/1349638094.db2.gz KYYDXRJPRUQNQC-UWVGGRQHSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592507864 1349643615 /nfs/dbraw/zinc/64/36/15/1349643615.db2.gz XTYIHVVLAVQIQE-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592507864 1349643616 /nfs/dbraw/zinc/64/36/16/1349643616.db2.gz XTYIHVVLAVQIQE-UHFFFAOYSA-N -1 1 334.361 2.100 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2[C@H]2CCCO2)nc1-c1nnn[n-]1 ZINC001592532115 1349649015 /nfs/dbraw/zinc/64/90/15/1349649015.db2.gz HCUPFABHBYBZKE-NWDGAFQWSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1ccc(N2CCCC[C@H]2[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592532115 1349649017 /nfs/dbraw/zinc/64/90/17/1349649017.db2.gz HCUPFABHBYBZKE-NWDGAFQWSA-N -1 1 334.811 2.453 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001592534012 1349649560 /nfs/dbraw/zinc/64/95/60/1349649560.db2.gz FGBLUOGUKGHMPF-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1cccc(N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001592534012 1349649564 /nfs/dbraw/zinc/64/95/64/1349649564.db2.gz FGBLUOGUKGHMPF-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1sc(N2CCCC[C@H]2c2ncc[nH]2)nc1-c1nn[n-]n1 ZINC001592541571 1349654276 /nfs/dbraw/zinc/65/42/76/1349654276.db2.gz FDQJBOZTXVNSDF-ZETCQYMHSA-N -1 1 336.812 2.431 20 0 EEADMM Fc1cc(Nc2cc(-c3nnn[n-]3)ncn2)ccc1N1CCCC1 ZINC001592643577 1349690454 /nfs/dbraw/zinc/69/04/54/1349690454.db2.gz TXZQADCZIKBRNH-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM Fc1cc(Nc2cc(-c3nn[n-]n3)ncn2)ccc1N1CCCC1 ZINC001592643577 1349690458 /nfs/dbraw/zinc/69/04/58/1349690458.db2.gz TXZQADCZIKBRNH-UHFFFAOYSA-N -1 1 326.339 2.140 20 0 EEADMM O=C(N[C@H]1CCOC12CCCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001592995795 1349732128 /nfs/dbraw/zinc/73/21/28/1349732128.db2.gz LLLNIAMXQJKTMG-LBPRGKRZSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(O[C@H]1COc2cc(Cl)ccc21)c1ccnc(-c2nnn[n-]2)c1 ZINC001593280255 1349760942 /nfs/dbraw/zinc/76/09/42/1349760942.db2.gz HFNIMFUKCRUJTL-ZDUSSCGKSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(O[C@H]1COc2cc(Cl)ccc21)c1ccnc(-c2nn[n-]n2)c1 ZINC001593280255 1349760947 /nfs/dbraw/zinc/76/09/47/1349760947.db2.gz HFNIMFUKCRUJTL-ZDUSSCGKSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593371919 1349792752 /nfs/dbraw/zinc/79/27/52/1349792752.db2.gz WUZKFNPEFOZBRM-DYVFJYSZSA-N -1 1 337.408 2.342 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1coc(C2CC2)n1 ZINC001593494484 1349819175 /nfs/dbraw/zinc/81/91/75/1349819175.db2.gz MRAQVTDARQFMBD-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM OC[C@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)CC1CCCC1 ZINC001593523740 1349830654 /nfs/dbraw/zinc/83/06/54/1349830654.db2.gz NTXQBAFVRMKWJX-LBPRGKRZSA-N -1 1 343.435 2.135 20 0 EEADMM OC[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)CC1CCCC1 ZINC001593523740 1349830660 /nfs/dbraw/zinc/83/06/60/1349830660.db2.gz NTXQBAFVRMKWJX-LBPRGKRZSA-N -1 1 343.435 2.135 20 0 EEADMM O=c1[nH]c2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2n1C1CC1 ZINC001593541290 1349837697 /nfs/dbraw/zinc/83/76/97/1349837697.db2.gz IBFXTBMGYBESDQ-UHFFFAOYSA-N -1 1 337.343 2.462 20 0 EEADMM O=c1[nH]c2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2n1C1CC1 ZINC001593541290 1349837703 /nfs/dbraw/zinc/83/77/03/1349837703.db2.gz IBFXTBMGYBESDQ-UHFFFAOYSA-N -1 1 337.343 2.462 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593570802 1349856159 /nfs/dbraw/zinc/85/61/59/1349856159.db2.gz LHLSARWKKGYMEA-GXTWGEPZSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593570802 1349856163 /nfs/dbraw/zinc/85/61/63/1349856163.db2.gz LHLSARWKKGYMEA-GXTWGEPZSA-N -1 1 337.387 2.237 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3c(F)cccc3Cl)nc2n1 ZINC001595384249 1349885501 /nfs/dbraw/zinc/88/55/01/1349885501.db2.gz MCINOQWSPKDUCI-UHFFFAOYSA-N -1 1 335.726 2.025 20 0 EEADMM Cc1cc(COC(=O)c2ccc3c(C=O)[nH]nc3c2)oc1C(=O)[O-] ZINC001600214088 1349994907 /nfs/dbraw/zinc/99/49/07/1349994907.db2.gz VZACUKYRDCGRPE-UHFFFAOYSA-N -1 1 328.280 2.332 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@H]1C ZINC001600241648 1350000291 /nfs/dbraw/zinc/00/02/91/1350000291.db2.gz MROWFDUKWGBNML-ZBFHGGJFSA-N -1 1 345.443 2.329 20 0 EEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600286037 1350010983 /nfs/dbraw/zinc/01/09/83/1350010983.db2.gz FLFGQFPWEKUEAH-BYCMXARLSA-N -1 1 343.383 2.057 20 0 EEADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001600286037 1350010986 /nfs/dbraw/zinc/01/09/86/1350010986.db2.gz FLFGQFPWEKUEAH-BYCMXARLSA-N -1 1 343.383 2.057 20 0 EEADMM Cc1ccccc1-c1cc(C(=O)[O-])nn1CCCN1CCOCC1 ZINC001600562153 1350083652 /nfs/dbraw/zinc/08/36/52/1350083652.db2.gz PYKRTLOBHNDRGY-UHFFFAOYSA-N -1 1 329.400 2.279 20 0 EEADMM Cc1ccccc1C1(NCC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001600576097 1350087282 /nfs/dbraw/zinc/08/72/82/1350087282.db2.gz ULGZEYULWOPAIO-UHFFFAOYSA-N -1 1 345.424 2.296 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)C[C@@H]1CCOC1 ZINC001600651360 1350107962 /nfs/dbraw/zinc/10/79/62/1350107962.db2.gz LHHJGWBFSJBBAG-MNOVXSKESA-N -1 1 326.418 2.050 20 0 EEADMM Cc1oc2ccccc2c1C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001600857192 1350153844 /nfs/dbraw/zinc/15/38/44/1350153844.db2.gz BPEPKPISWQIHFT-GFCCVEGCSA-N -1 1 330.384 2.362 20 0 EEADMM Cn1c(C(=O)[O-])ccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001600904969 1350164728 /nfs/dbraw/zinc/16/47/28/1350164728.db2.gz RUDOIJZWAKBBRC-OAHLLOKOSA-N -1 1 341.411 2.118 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1cccc(F)c1O)c1ccc2c(c1)CCO2 ZINC001601397586 1350274017 /nfs/dbraw/zinc/27/40/17/1350274017.db2.gz DZLKRTMNFIXFNR-CQSZACIVSA-N -1 1 331.299 2.022 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1cccc2nc[nH]c21)c1cc(F)ccc1F ZINC001601397254 1350274249 /nfs/dbraw/zinc/27/42/49/1350274249.db2.gz NZNRRNSLNVLGKP-CQSZACIVSA-N -1 1 331.278 2.397 20 0 EEADMM O=C([O-])C1(CCCCNC(=O)c2coc([C@@H]3CCCN3)n2)CCC1 ZINC001601496895 1350295863 /nfs/dbraw/zinc/29/58/63/1350295863.db2.gz JECKPDVDAUBSDQ-LBPRGKRZSA-N -1 1 335.404 2.254 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)cc(Cl)c1F ZINC001601565715 1350307965 /nfs/dbraw/zinc/30/79/65/1350307965.db2.gz MDEJIWHSOJRORL-JTQLQIEISA-N -1 1 346.145 2.281 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(F)ccc1-c1ccoc1 ZINC001601568616 1350308632 /nfs/dbraw/zinc/30/86/32/1350308632.db2.gz XIZFRRTULIAOLV-OAHLLOKOSA-N -1 1 343.314 2.235 20 0 EEADMM O=C([O-])c1csc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC001601585678 1350313408 /nfs/dbraw/zinc/31/34/08/1350313408.db2.gz RZSKYHVZQZPNCA-QWRGUYRKSA-N -1 1 341.458 2.148 20 0 EEADMM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCN3Cc3ccccc3)(CC1)C2 ZINC001601730282 1350350047 /nfs/dbraw/zinc/35/00/47/1350350047.db2.gz PLSDUJXKOCFDIJ-DZIBYMRMSA-N -1 1 342.439 2.412 20 0 EEADMM O=C([O-])C1=NO[C@]2(CCN(Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001601746833 1350354556 /nfs/dbraw/zinc/35/45/56/1350354556.db2.gz QVXOFULADWKHCF-CQSZACIVSA-N -1 1 344.289 2.391 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3cc(F)cc4cccnc43)C2)C1 ZINC001601747040 1350354574 /nfs/dbraw/zinc/35/45/74/1350354574.db2.gz XEJUSTRQKCDJRF-KRWDZBQOSA-N -1 1 329.331 2.179 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@@H]([C@@H]2CCCO2)C1 ZINC001601828339 1350374864 /nfs/dbraw/zinc/37/48/64/1350374864.db2.gz CRSLCKZYVFXQTH-XYPHTWIQSA-N -1 1 333.432 2.064 20 0 EEADMM O=C([O-])CCN1CC[C@H](N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC001602009569 1350418497 /nfs/dbraw/zinc/41/84/97/1350418497.db2.gz JRFGHEXKWIAKHF-RYUDHWBXSA-N -1 1 348.365 2.117 20 0 EEADMM O=C([O-])CCSc1ncccc1NC(=O)CCN1CC[C@H](F)C1 ZINC001602033585 1350422441 /nfs/dbraw/zinc/42/24/41/1350422441.db2.gz DJUMFVATQQNYIH-NSHDSACASA-N -1 1 341.408 2.021 20 0 EEADMM O=C([O-])CCSc1ncccc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001602033560 1350422652 /nfs/dbraw/zinc/42/26/52/1350422652.db2.gz CUVYDAUYOIMICO-JTQLQIEISA-N -1 1 346.412 2.115 20 0 EEADMM O=C([O-])Cn1cnc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)n1 ZINC001602166239 1350456113 /nfs/dbraw/zinc/45/61/13/1350456113.db2.gz GPCYHMDUWPFBGO-UHFFFAOYSA-N -1 1 345.384 2.009 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2N[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC001602310549 1350490278 /nfs/dbraw/zinc/49/02/78/1350490278.db2.gz KGFBAUNSCUGBLM-IUODEOHRSA-N -1 1 344.419 2.446 20 0 EEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(C3CCC3)c2)c1 ZINC001602366227 1350504844 /nfs/dbraw/zinc/50/48/44/1350504844.db2.gz UIGOGKWMRLRKNZ-UHFFFAOYSA-N -1 1 339.348 2.246 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccn(-c3ccncc3)n1)CC2 ZINC001602422133 1350515734 /nfs/dbraw/zinc/51/57/34/1350515734.db2.gz XKEWIRWDJWMXCZ-UHFFFAOYSA-N -1 1 348.362 2.164 20 0 EEADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(O)c1 ZINC001603025485 1350622725 /nfs/dbraw/zinc/62/27/25/1350622725.db2.gz SMOUZURITJTITO-SECBINFHSA-N -1 1 325.328 2.020 20 0 EEADMM CC(C)(C)N1CC[C@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603077514 1350635083 /nfs/dbraw/zinc/63/50/83/1350635083.db2.gz DHFPIAILGGHWRX-NSHDSACASA-N -1 1 335.408 2.497 20 0 EEADMM CC(=O)c1ncc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)s1 ZINC001603126266 1350645972 /nfs/dbraw/zinc/64/59/72/1350645972.db2.gz JPRJEFPHEFHDRX-UHFFFAOYSA-N -1 1 330.325 2.173 20 0 EEADMM C[C@H](CNC(=O)c1ccsc1-c1nnn[n-]1)Oc1ccccc1 ZINC001603546371 1350718630 /nfs/dbraw/zinc/71/86/30/1350718630.db2.gz NWIGMUGPLVEYSZ-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM C[C@H](CNC(=O)c1ccsc1-c1nn[n-]n1)Oc1ccccc1 ZINC001603546371 1350718636 /nfs/dbraw/zinc/71/86/36/1350718636.db2.gz NWIGMUGPLVEYSZ-SNVBAGLBSA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](COC(=O)c1ccc(-c2nn[n-]n2)o1)OCCc1ccccc1 ZINC001603569368 1350721407 /nfs/dbraw/zinc/72/14/07/1350721407.db2.gz PQAHEYYGMPKMGY-LBPRGKRZSA-N -1 1 342.355 2.264 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CC2CCC1CC2 ZINC001603642040 1350732965 /nfs/dbraw/zinc/73/29/65/1350732965.db2.gz RRTVZTPCWGLFBB-MLCFOIATSA-N -1 1 326.404 2.206 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CC2CCC1CC2 ZINC001603642040 1350732967 /nfs/dbraw/zinc/73/29/67/1350732967.db2.gz RRTVZTPCWGLFBB-MLCFOIATSA-N -1 1 326.404 2.206 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603868298 1350787172 /nfs/dbraw/zinc/78/71/72/1350787172.db2.gz UTVZQFFLYFFMAZ-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603868298 1350787176 /nfs/dbraw/zinc/78/71/76/1350787176.db2.gz UTVZQFFLYFFMAZ-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1COc2ccccc2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603948208 1350810921 /nfs/dbraw/zinc/81/09/21/1350810921.db2.gz LTLWJLXGRDMTMW-LKFCYVNXSA-N -1 1 326.312 2.386 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001603999583 1350825958 /nfs/dbraw/zinc/82/59/58/1350825958.db2.gz KTGPDFJIOKWMLN-OCCSQVGLSA-N -1 1 330.436 2.195 20 0 EEADMM CCC(CC)n1nccc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001604030011 1350834217 /nfs/dbraw/zinc/83/42/17/1350834217.db2.gz OTEMEQIMNJTCQL-UHFFFAOYSA-N -1 1 347.404 2.238 20 0 EEADMM CCC(CC)n1nccc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001604030011 1350834220 /nfs/dbraw/zinc/83/42/20/1350834220.db2.gz OTEMEQIMNJTCQL-UHFFFAOYSA-N -1 1 347.404 2.238 20 0 EEADMM CC[C@@H](CNc1ncncc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001604040726 1350837491 /nfs/dbraw/zinc/83/74/91/1350837491.db2.gz VSKYMKQPELEVRH-NSHDSACASA-N -1 1 329.339 2.065 20 0 EEADMM CC[C@]1(C)CCCN(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001604081506 1350849256 /nfs/dbraw/zinc/84/92/56/1350849256.db2.gz ADBQUNHVFXYYLZ-MRXNPFEDSA-N -1 1 345.407 2.314 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604086066 1350851872 /nfs/dbraw/zinc/85/18/72/1350851872.db2.gz OAVNOJBIDMFZNP-STQMWFEESA-N -1 1 333.392 2.125 20 0 EEADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604086066 1350851874 /nfs/dbraw/zinc/85/18/74/1350851874.db2.gz OAVNOJBIDMFZNP-STQMWFEESA-N -1 1 333.392 2.125 20 0 EEADMM CC[C@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001604094361 1350854422 /nfs/dbraw/zinc/85/44/22/1350854422.db2.gz XENXYTSQNBYHJW-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM CC[C@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001604094361 1350854423 /nfs/dbraw/zinc/85/44/23/1350854423.db2.gz XENXYTSQNBYHJW-ZDUSSCGKSA-N -1 1 342.325 2.022 20 0 EEADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001604155966 1350877475 /nfs/dbraw/zinc/87/74/75/1350877475.db2.gz MHCILHUXPDRHOH-ZYHUDNBSSA-N -1 1 330.392 2.425 20 0 EEADMM CCCCCCO[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001604177008 1350884382 /nfs/dbraw/zinc/88/43/82/1350884382.db2.gz BNAZUQPDGKENSV-GFCCVEGCSA-N -1 1 332.408 2.210 20 0 EEADMM CCCCCCO[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001604177008 1350884384 /nfs/dbraw/zinc/88/43/84/1350884384.db2.gz BNAZUQPDGKENSV-GFCCVEGCSA-N -1 1 332.408 2.210 20 0 EEADMM CCN(Cc1ccccc1C)Cn1ccc(C)c(-c2nnn[n-]2)c1=O ZINC001604325245 1350915790 /nfs/dbraw/zinc/91/57/90/1350915790.db2.gz XJGHCDZYTZVCAG-UHFFFAOYSA-N -1 1 338.415 2.125 20 0 EEADMM C[C@H](NCc1n[nH]c(C2CCOCC2)n1)c1cc(C(=O)[O-])cs1 ZINC001604349897 1350921640 /nfs/dbraw/zinc/92/16/40/1350921640.db2.gz RDUCXIXFMNAINX-VIFPVBQESA-N -1 1 336.417 2.309 20 0 EEADMM CCOC(CCNc1c2ccccc2nnc1-c1nnn[n-]1)OCC ZINC001604405389 1350930893 /nfs/dbraw/zinc/93/08/93/1350930893.db2.gz XSGKFUKAOBJRSM-UHFFFAOYSA-N -1 1 343.391 2.011 20 0 EEADMM CCOC(CCNc1c2ccccc2nnc1-c1nn[n-]n1)OCC ZINC001604405389 1350930897 /nfs/dbraw/zinc/93/08/97/1350930897.db2.gz XSGKFUKAOBJRSM-UHFFFAOYSA-N -1 1 343.391 2.011 20 0 EEADMM CCc1cc(=O)[n-]c(SCCOc2ccccc2-c2nn[nH]n2)n1 ZINC001604510487 1350952429 /nfs/dbraw/zinc/95/24/29/1350952429.db2.gz FMSYWPGNCIHPEM-UHFFFAOYSA-N -1 1 344.400 2.096 20 0 EEADMM CC1=CCN(CCNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001604615383 1350970906 /nfs/dbraw/zinc/97/09/06/1350970906.db2.gz KTAISWUVGVQPFW-APWZRJJASA-N -1 1 328.412 2.013 20 0 EEADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CCS(=O)(=O)C1CCCCC1 ZINC001604652181 1350977103 /nfs/dbraw/zinc/97/71/03/1350977103.db2.gz KSVUTCKVCUWWQE-STQMWFEESA-N -1 1 331.478 2.308 20 0 EEADMM CN(C1CCC(C)(C)CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604705825 1350988657 /nfs/dbraw/zinc/98/86/57/1350988657.db2.gz FFXKFDNFQSPLOP-UHFFFAOYSA-N -1 1 339.421 2.049 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001604787417 1351003192 /nfs/dbraw/zinc/00/31/92/1351003192.db2.gz BKEWTXJBNVFOTE-UKRRQHHQSA-N -1 1 328.428 2.302 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCC1(C)C ZINC001604790987 1351004644 /nfs/dbraw/zinc/00/46/44/1351004644.db2.gz QDXBUZJJKCQKSF-ZIAGYGMSSA-N -1 1 325.453 2.003 20 0 EEADMM CN(CCc1cccs1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001604792374 1351005293 /nfs/dbraw/zinc/00/52/93/1351005293.db2.gz XWZIMTSVGYWQMS-UHFFFAOYSA-N -1 1 348.457 2.374 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nnn[n-]2)ncn1 ZINC001604808614 1351011749 /nfs/dbraw/zinc/01/17/49/1351011749.db2.gz DTDRLQDHEJMJSS-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1ccc(C(F)(F)F)cc1)c1cc(-c2nn[n-]n2)ncn1 ZINC001604808614 1351011751 /nfs/dbraw/zinc/01/17/51/1351011751.db2.gz DTDRLQDHEJMJSS-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM COC(=O)C1CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001604921460 1351032281 /nfs/dbraw/zinc/03/22/81/1351032281.db2.gz FXQOJGVVXKUKMH-UHFFFAOYSA-N -1 1 342.812 2.120 20 0 EEADMM COC(=O)C1CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001604921460 1351032283 /nfs/dbraw/zinc/03/22/83/1351032283.db2.gz FXQOJGVVXKUKMH-UHFFFAOYSA-N -1 1 342.812 2.120 20 0 EEADMM CC[C@H](CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(OC)cc1 ZINC001604981033 1351045109 /nfs/dbraw/zinc/04/51/09/1351045109.db2.gz RNXLDOIVNNLIQU-MLGOLLRUSA-N -1 1 345.399 2.114 20 0 EEADMM CO[C@H](C)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(C)cc(Cl)c21 ZINC001605005696 1351050595 /nfs/dbraw/zinc/05/05/95/1351050595.db2.gz QEXLZEOHHISZFN-SECBINFHSA-N -1 1 333.779 2.178 20 0 EEADMM CC[C@](CNC(=O)c1ccc2cncn2c1)(C(=O)[O-])c1ccccc1 ZINC001605039708 1351064269 /nfs/dbraw/zinc/06/42/69/1351064269.db2.gz YUIVHSQAWLOXLE-LJQANCHMSA-N -1 1 337.379 2.497 20 0 EEADMM CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccccn1 ZINC001605216329 1351106707 /nfs/dbraw/zinc/10/67/07/1351106707.db2.gz UYRACJZZMXTRPI-ZBFHGGJFSA-N -1 1 348.447 2.113 20 0 EEADMM COc1ccc2cc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cnc2c1 ZINC001605311004 1351132799 /nfs/dbraw/zinc/13/27/99/1351132799.db2.gz DZYFCTIHVZNGMO-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ccc2cc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cnc2c1 ZINC001605311004 1351132800 /nfs/dbraw/zinc/13/28/00/1351132800.db2.gz DZYFCTIHVZNGMO-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ncc(NC(=O)N2CC3(C2)CCCCC3)cc1-c1nn[n-]n1 ZINC001605348897 1351142793 /nfs/dbraw/zinc/14/27/93/1351142793.db2.gz RPSVKFQRTBYEFR-UHFFFAOYSA-N -1 1 343.391 2.068 20 0 EEADMM CCCN1C(=O)N=NC1SCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001605385797 1351150402 /nfs/dbraw/zinc/15/04/02/1351150402.db2.gz ZXESCPLTQVIFAK-UHFFFAOYSA-N -1 1 338.389 2.012 20 0 EEADMM CCN(CCC(=O)[O-])CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC001605443089 1351159058 /nfs/dbraw/zinc/15/90/58/1351159058.db2.gz SALIKKFBKTYBQZ-UHFFFAOYSA-N -1 1 344.795 2.092 20 0 EEADMM CCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001605497336 1351171735 /nfs/dbraw/zinc/17/17/35/1351171735.db2.gz LFHSATWYWOQGGH-KRWDZBQOSA-N -1 1 342.395 2.360 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001605564406 1351190881 /nfs/dbraw/zinc/19/08/81/1351190881.db2.gz VKZDIFREQPYRPY-UHFFFAOYSA-N -1 1 345.399 2.024 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1CN(CCc1ccccc1)CC(=O)[O-] ZINC001605564406 1351190883 /nfs/dbraw/zinc/19/08/83/1351190883.db2.gz VKZDIFREQPYRPY-UHFFFAOYSA-N -1 1 345.399 2.024 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Sc2nc3ncccc3s2)n1 ZINC001605585298 1351194943 /nfs/dbraw/zinc/19/49/43/1351194943.db2.gz ORZFWAJNHBRGAL-UHFFFAOYSA-N -1 1 328.386 2.121 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Sc2nc3ncccc3s2)n1 ZINC001605585298 1351194947 /nfs/dbraw/zinc/19/49/47/1351194947.db2.gz ORZFWAJNHBRGAL-UHFFFAOYSA-N -1 1 328.386 2.121 20 0 EEADMM Cc1cc(C)c2c(c1)CCN(C(=O)Cc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001605643676 1351208684 /nfs/dbraw/zinc/20/86/84/1351208684.db2.gz RFVVAJKGPYNEBB-UHFFFAOYSA-N -1 1 348.410 2.006 20 0 EEADMM Cc1cc(C)c2c(c1)CCN(C(=O)Cc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001605643676 1351208686 /nfs/dbraw/zinc/20/86/86/1351208686.db2.gz RFVVAJKGPYNEBB-UHFFFAOYSA-N -1 1 348.410 2.006 20 0 EEADMM Cc1cc(C2CC2)nc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001605652873 1351211120 /nfs/dbraw/zinc/21/11/20/1351211120.db2.gz URFPFEMACARSNE-UHFFFAOYSA-N -1 1 327.373 2.156 20 0 EEADMM CCOc1cccc(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001605706464 1351216527 /nfs/dbraw/zinc/21/65/27/1351216527.db2.gz UKXGCXONTXOHTA-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2F)nc1-c1nnn[n-]1 ZINC001605874875 1351243578 /nfs/dbraw/zinc/24/35/78/1351243578.db2.gz SRKOIFPWGKMUOV-INIZCTEOSA-N -1 1 346.341 2.168 20 0 EEADMM Cc1ccc(NC[C@](C)(O)c2ccc(F)cc2F)nc1-c1nn[n-]n1 ZINC001605874875 1351243581 /nfs/dbraw/zinc/24/35/81/1351243581.db2.gz SRKOIFPWGKMUOV-INIZCTEOSA-N -1 1 346.341 2.168 20 0 EEADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605921274 1351254405 /nfs/dbraw/zinc/25/44/05/1351254405.db2.gz IVEUCXUOAATNNI-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605921274 1351254409 /nfs/dbraw/zinc/25/44/09/1351254409.db2.gz IVEUCXUOAATNNI-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1ccn(CN2CC[C@H](CC(C)(C)C)C2)c(=O)c1-c1nnn[n-]1 ZINC001605948507 1351257347 /nfs/dbraw/zinc/25/73/47/1351257347.db2.gz ABYUXORMKOMRNV-CYBMUJFWSA-N -1 1 330.436 2.052 20 0 EEADMM Cc1ccn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)o2)n1 ZINC001605948162 1351257597 /nfs/dbraw/zinc/25/75/97/1351257597.db2.gz SLWGDKQQPGVRPP-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1nn(C)c(NC(=O)c2sccc2C2CC2)c1-c1nnn[n-]1 ZINC001606112976 1351272784 /nfs/dbraw/zinc/27/27/84/1351272784.db2.gz QWKCDQMGYUCZHT-UHFFFAOYSA-N -1 1 329.389 2.100 20 0 EEADMM Cc1nn(C)c(NC(=O)c2sccc2C2CC2)c1-c1nn[n-]n1 ZINC001606112976 1351272786 /nfs/dbraw/zinc/27/27/86/1351272786.db2.gz QWKCDQMGYUCZHT-UHFFFAOYSA-N -1 1 329.389 2.100 20 0 EEADMM Cc1nsc(NCCCNC(=O)CCC2CCC2)c1-c1nn[n-]n1 ZINC001606157928 1351279157 /nfs/dbraw/zinc/27/91/57/1351279157.db2.gz DMDYJTZONRAOLB-UHFFFAOYSA-N -1 1 349.464 2.130 20 0 EEADMM Cc1oc(-c2cccs2)nc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001606165548 1351280197 /nfs/dbraw/zinc/28/01/97/1351280197.db2.gz YBUUKAYGDXQRBT-UHFFFAOYSA-N -1 1 341.356 2.261 20 0 EEADMM COC(=O)C[C@](C)(NCc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC001606441622 1351302792 /nfs/dbraw/zinc/30/27/92/1351302792.db2.gz XLMUXJMKPXZGIH-SFHVURJKSA-N -1 1 328.368 2.348 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OCC[C@@H]1CCc2ccccc21 ZINC001606596322 1351329574 /nfs/dbraw/zinc/32/95/74/1351329574.db2.gz IPOUXSTUECPCIO-HNNXBMFYSA-N -1 1 349.394 2.468 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OCC[C@@H]1CCc2ccccc21 ZINC001606596322 1351329578 /nfs/dbraw/zinc/32/95/78/1351329578.db2.gz IPOUXSTUECPCIO-HNNXBMFYSA-N -1 1 349.394 2.468 20 0 EEADMM O=C(NC/C=C/c1ccccc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606753518 1351351768 /nfs/dbraw/zinc/35/17/68/1351351768.db2.gz OYWWXTNHXPZHBD-QPJJXVBHSA-N -1 1 340.412 2.441 20 0 EEADMM O=C(NCCCNc1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001606770422 1351354155 /nfs/dbraw/zinc/35/41/55/1351354155.db2.gz YEAQLCZBNQXHIW-UHFFFAOYSA-N -1 1 328.401 2.160 20 0 EEADMM O=C(NCCCNc1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001606770422 1351354158 /nfs/dbraw/zinc/35/41/58/1351354158.db2.gz YEAQLCZBNQXHIW-UHFFFAOYSA-N -1 1 328.401 2.160 20 0 EEADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606915127 1351375308 /nfs/dbraw/zinc/37/53/08/1351375308.db2.gz CKWUPDQCWFBZKG-UHFFFAOYSA-N -1 1 349.329 2.444 20 0 EEADMM COCc1cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)ccc1F ZINC001606941421 1351381424 /nfs/dbraw/zinc/38/14/24/1351381424.db2.gz DPZUBTWMIYRNRR-CQSZACIVSA-N -1 1 333.363 2.492 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1ccc(NC2CC2)nc1 ZINC001606978584 1351391150 /nfs/dbraw/zinc/39/11/50/1351391150.db2.gz COEVTHVCENISAE-UHFFFAOYSA-N -1 1 342.384 2.255 20 0 EEADMM c1cc(-c2nnn[n-]2)ncc1Cc1nc(CC2CCCCC2)no1 ZINC001607116394 1351424697 /nfs/dbraw/zinc/42/46/97/1351424697.db2.gz JEGUCRCZRVMHDG-UHFFFAOYSA-N -1 1 325.376 2.358 20 0 EEADMM c1cc(-c2nn[n-]n2)ncc1Cc1nc(CC2CCCCC2)no1 ZINC001607116394 1351424699 /nfs/dbraw/zinc/42/46/99/1351424699.db2.gz JEGUCRCZRVMHDG-UHFFFAOYSA-N -1 1 325.376 2.358 20 0 EEADMM c1cc2ccc(-c3noc(-c4cccc(-c5nnn[n-]5)n4)n3)cc2[nH]1 ZINC001607116107 1351424730 /nfs/dbraw/zinc/42/47/30/1351424730.db2.gz BZDLZCDCLKCGDB-UHFFFAOYSA-N -1 1 330.311 2.460 20 0 EEADMM c1cc2ccc(-c3noc(-c4cccc(-c5nn[n-]n5)n4)n3)cc2[nH]1 ZINC001607116107 1351424736 /nfs/dbraw/zinc/42/47/36/1351424736.db2.gz BZDLZCDCLKCGDB-UHFFFAOYSA-N -1 1 330.311 2.460 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1ncncc1-c1nnn[n-]1 ZINC001607132403 1351434199 /nfs/dbraw/zinc/43/41/99/1351434199.db2.gz GBZSCUOVONEYII-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM c1ccc2c(c1)CCO[C@@H]2CSc1ncncc1-c1nn[n-]n1 ZINC001607132403 1351434200 /nfs/dbraw/zinc/43/42/00/1351434200.db2.gz GBZSCUOVONEYII-CYBMUJFWSA-N -1 1 326.385 2.063 20 0 EEADMM c1csc([C@@H]2CSCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001607136326 1351435029 /nfs/dbraw/zinc/43/50/29/1351435029.db2.gz CXKKFBDVGAOOTC-JTQLQIEISA-N -1 1 334.430 2.206 20 0 EEADMM c1csc([C@@H]2CSCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001607136326 1351435033 /nfs/dbraw/zinc/43/50/33/1351435033.db2.gz CXKKFBDVGAOOTC-JTQLQIEISA-N -1 1 334.430 2.206 20 0 EEADMM COc1ccccc1[C@@H](N)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001607339214 1351477927 /nfs/dbraw/zinc/47/79/27/1351477927.db2.gz UFYWONPFPVXDHL-INIZCTEOSA-N -1 1 342.395 2.142 20 0 EEADMM COc1nsc(CN2CCC(OC3CCC3)CC2)c1C(=O)[O-] ZINC001607363557 1351482925 /nfs/dbraw/zinc/48/29/25/1351482925.db2.gz RALVHEYTXYTATB-UHFFFAOYSA-N -1 1 326.418 2.383 20 0 EEADMM Cc1cc(CN2CCCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)no1 ZINC001607641021 1351531069 /nfs/dbraw/zinc/53/10/69/1351531069.db2.gz KVDDGMYJUHHHHL-UHFFFAOYSA-N -1 1 333.388 2.291 20 0 EEADMM Cc1cc(Cl)cc(C)c1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001607655810 1351534368 /nfs/dbraw/zinc/53/43/68/1351534368.db2.gz KEYVTUAPGJWCAU-UHFFFAOYSA-N -1 1 343.792 2.039 20 0 EEADMM Cc1ccc(C2CC2)c(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001607770526 1351554878 /nfs/dbraw/zinc/55/48/78/1351554878.db2.gz OQJURSZDXVGROF-AWEZNQCLSA-N -1 1 330.428 2.493 20 0 EEADMM Cc1ccc(C2CC2)c(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001607770526 1351554879 /nfs/dbraw/zinc/55/48/79/1351554879.db2.gz OQJURSZDXVGROF-AWEZNQCLSA-N -1 1 330.428 2.493 20 0 EEADMM Cc1ccccc1C[C@@H](C)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001607879698 1351577835 /nfs/dbraw/zinc/57/78/35/1351577835.db2.gz DUGHXMOJXWPJSW-WBVHZDCISA-N -1 1 334.460 2.473 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N(C)C[C@H]1CCCOC1 ZINC001607925931 1351587161 /nfs/dbraw/zinc/58/71/61/1351587161.db2.gz SRUHEMBENZDMDA-NWDGAFQWSA-N -1 1 340.445 2.440 20 0 EEADMM Cc1nc(CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n[nH]1 ZINC001607937377 1351589744 /nfs/dbraw/zinc/58/97/44/1351589744.db2.gz XJQPOEPIHZULFM-UHFFFAOYSA-N -1 1 331.357 2.348 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nnco2)c1 ZINC001608042455 1351612352 /nfs/dbraw/zinc/61/23/52/1351612352.db2.gz UAESCYHWVNCCQS-UHFFFAOYSA-N -1 1 349.324 2.137 20 0 EEADMM Cn1c(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)ccc1C(=O)[O-] ZINC001608088223 1351622927 /nfs/dbraw/zinc/62/29/27/1351622927.db2.gz OQZHNCDIQJYGES-GXTWGEPZSA-N -1 1 336.413 2.148 20 0 EEADMM Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001608092420 1351623653 /nfs/dbraw/zinc/62/36/53/1351623653.db2.gz SHZQEPYJHIHXES-VSGCLNPGSA-N -1 1 328.368 2.243 20 0 EEADMM NC(=O)CCN(Cc1occc1C(=O)[O-])[C@@H]1CCOc2ccccc21 ZINC001608233948 1351653750 /nfs/dbraw/zinc/65/37/50/1351653750.db2.gz HCXRAMZDYRDXON-CQSZACIVSA-N -1 1 344.367 2.179 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cn[nH]c1-c1ccccn1)C1CCCCC1 ZINC001608420494 1351691334 /nfs/dbraw/zinc/69/13/34/1351691334.db2.gz RHXPNPDQTNONLE-CYBMUJFWSA-N -1 1 342.399 2.483 20 0 EEADMM O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc([O-])c1F ZINC001623316170 1352394618 /nfs/dbraw/zinc/39/46/18/1352394618.db2.gz LSIMKYZZAIFYNE-GFCCVEGCSA-N -1 1 328.343 2.346 20 0 EEADMM CC(C)c1nnsc1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC001646633305 1352894688 /nfs/dbraw/zinc/89/46/88/1352894688.db2.gz ZWYGSORZMFNUNE-UHFFFAOYSA-N -1 1 343.405 2.456 20 0 EEADMM CCN1CC[C@@H](OC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1=O ZINC001649878822 1353634853 /nfs/dbraw/zinc/63/48/53/1353634853.db2.gz PIVZLMGIXOCWNC-CYBMUJFWSA-N -1 1 349.774 2.009 20 0 EEADMM C[C@@H]1CC[C@H](C(=O)NCC2(NC(=O)c3ncccc3[O-])CCCC2)C1 ZINC001388214788 1387260246 /nfs/dbraw/zinc/26/02/46/1387260246.db2.gz SHPVSMCFOHEWPK-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM Cn1ccnc1SCc1cccc(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001654603504 1354153918 /nfs/dbraw/zinc/15/39/18/1354153918.db2.gz QIYOVPIEENJRTE-UHFFFAOYSA-N -1 1 329.385 2.393 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C)c1)c1ccccc1 ZINC000078529908 1354825916 /nfs/dbraw/zinc/82/59/16/1354825916.db2.gz MQZFMCDANYNVFP-HNNXBMFYSA-N -1 1 337.372 2.327 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC001388240475 1387276644 /nfs/dbraw/zinc/27/66/44/1387276644.db2.gz SXVDBRKPVLSYNL-UHFFFAOYSA-N -1 1 347.802 2.333 20 0 EEADMM CCCCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001388821834 1387730812 /nfs/dbraw/zinc/73/08/12/1387730812.db2.gz ZDMXHNXKAGQDBF-AWEZNQCLSA-N -1 1 333.432 2.478 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001388887322 1387778857 /nfs/dbraw/zinc/77/88/57/1387778857.db2.gz DRRFOJCGPDFHBX-KFWWJZLASA-N -1 1 347.459 2.340 20 0 EEADMM O=C(CCC1CCC1)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001389031720 1387904846 /nfs/dbraw/zinc/90/48/46/1387904846.db2.gz GDYJCUQKAJMLJQ-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM COC(=O)c1c2n[nH]cc2ccc1NC(=O)c1ccc([O-])cc1F ZINC001186328795 1368195313 /nfs/dbraw/zinc/19/53/13/1368195313.db2.gz JXUGHQXLOGWHSO-UHFFFAOYSA-N -1 1 329.287 2.447 20 0 EEADMM COC(=O)c1cccc(C(=O)OC)c1NC(=O)c1ccc([O-])cc1F ZINC001186328782 1368195411 /nfs/dbraw/zinc/19/54/11/1368195411.db2.gz IZRPRYZFWUDSRE-UHFFFAOYSA-N -1 1 347.298 2.357 20 0 EEADMM CCOCCOc1ccc(C(=O)Nc2nc(C(=O)OCC)c[n-]2)cc1 ZINC001187149459 1368231767 /nfs/dbraw/zinc/23/17/67/1368231767.db2.gz YBELDPOVDWBAMG-UHFFFAOYSA-N -1 1 347.371 2.254 20 0 EEADMM COC(=O)C(C)(C)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000885434654 1368989030 /nfs/dbraw/zinc/98/90/30/1368989030.db2.gz FPXVYYKVTMULNH-UHFFFAOYSA-N -1 1 343.376 2.440 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1cccc(OC)c1Cl ZINC000855135267 1369387841 /nfs/dbraw/zinc/38/78/41/1369387841.db2.gz IRPBJKPKGKLDTM-UHFFFAOYSA-N -1 1 329.780 2.281 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000855808687 1369397488 /nfs/dbraw/zinc/39/74/88/1369397488.db2.gz MJOSYWQBFSRJNM-CYBMUJFWSA-N -1 1 345.374 2.487 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C(C)(C)C(C)(C)C ZINC001071952245 1370585194 /nfs/dbraw/zinc/58/51/94/1370585194.db2.gz JULMBPHZOGZGKK-QWHCGFSZSA-N -1 1 347.459 2.436 20 0 EEADMM CCCC1(C(=O)N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)CCC1 ZINC001071952324 1370585928 /nfs/dbraw/zinc/58/59/28/1370585928.db2.gz KSVZQJYOPUSSLS-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)CN2Cc3ccccc3C2=O)[n-]1 ZINC000797274646 1371524595 /nfs/dbraw/zinc/52/45/95/1371524595.db2.gz GJRLJTIZPZSZID-NSHDSACASA-N -1 1 342.351 2.003 20 0 EEADMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc([O-])c(Cl)c1 ZINC000829286415 1372273265 /nfs/dbraw/zinc/27/32/65/1372273265.db2.gz HGTBGUBZRLANAN-UHFFFAOYSA-N -1 1 338.835 2.230 20 0 EEADMM Cc1c2ccccc2oc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831158442 1372369385 /nfs/dbraw/zinc/36/93/85/1372369385.db2.gz JYMXXXRMYNVIPQ-UHFFFAOYSA-N -1 1 340.301 2.492 20 0 EEADMM Cc1[nH]c(CN2CCC(Oc3nccc(C)n3)CC2)c(C)c1C(=O)[O-] ZINC001140498699 1372588692 /nfs/dbraw/zinc/58/86/92/1372588692.db2.gz KNDKSYJJHNPCDB-UHFFFAOYSA-N -1 1 344.415 2.472 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC[C@@H]2CCCCC23OCCO3)[n-]1 ZINC000835356974 1372616026 /nfs/dbraw/zinc/61/60/26/1372616026.db2.gz VPASFKVHHIIKRO-LBPRGKRZSA-N -1 1 337.372 2.282 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C[C@H]1CCCCO1 ZINC000848341146 1373136495 /nfs/dbraw/zinc/13/64/95/1373136495.db2.gz XVKZLUMYBGSBEN-IJLUTSLNSA-N -1 1 336.354 2.004 20 0 EEADMM Cc1cnc(=S)n(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000848502332 1373155500 /nfs/dbraw/zinc/15/55/00/1373155500.db2.gz LJWBBYPJHOJRFY-GHMZBOCLSA-N -1 1 348.394 2.410 20 0 EEADMM CC[C@@]1(C)CC(=O)N(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848502670 1373156013 /nfs/dbraw/zinc/15/60/13/1373156013.db2.gz PKNFZMGOVWCDJR-JMSVASOKSA-N -1 1 349.397 2.124 20 0 EEADMM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CO1 ZINC000849413754 1373256680 /nfs/dbraw/zinc/25/66/80/1373256680.db2.gz PIFMXPOZMFRNCQ-ZETCQYMHSA-N -1 1 325.217 2.234 20 0 EEADMM CCN(CC)c1ccc(NC(=O)c2cnc(SC)[n-]c2=O)cn1 ZINC001361820810 1373342803 /nfs/dbraw/zinc/34/28/03/1373342803.db2.gz PSZKSVDLAIJIQR-UHFFFAOYSA-N -1 1 333.417 2.398 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCSC[C@@H]2C2CCC2)c1 ZINC001365716228 1373753414 /nfs/dbraw/zinc/75/34/14/1373753414.db2.gz VKROYZSGXXKXPW-CYBMUJFWSA-N -1 1 343.470 2.307 20 0 EEADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)c1ccccc1CC(C)(C)C ZINC001367736595 1374248801 /nfs/dbraw/zinc/24/88/01/1374248801.db2.gz CAFKHHJCAQFCAZ-LBPRGKRZSA-N -1 1 345.447 2.007 20 0 EEADMM CCCC1(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])CCC1 ZINC001370475353 1374955081 /nfs/dbraw/zinc/95/50/81/1374955081.db2.gz VDFAOWOPEZCDHD-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](NC(=O)CC1CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001372697298 1376148813 /nfs/dbraw/zinc/14/88/13/1376148813.db2.gz LMVFXJHQDJCPNZ-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C)c1 ZINC001375061606 1377331071 /nfs/dbraw/zinc/33/10/71/1377331071.db2.gz WKJMFBBHIOHZKG-AWEZNQCLSA-N -1 1 327.384 2.034 20 0 EEADMM C[C@]1(CNC(=O)C2CCCC2)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001390355760 1388598954 /nfs/dbraw/zinc/59/89/54/1388598954.db2.gz IOCZVPICLJVZLT-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)CC(=O)NC[C@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001390375380 1388611713 /nfs/dbraw/zinc/61/17/13/1388611713.db2.gz YBQIZNUAHMHSQA-SFHVURJKSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)CC(=O)NC[C@@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001390375352 1388611804 /nfs/dbraw/zinc/61/18/04/1388611804.db2.gz YBQIZNUAHMHSQA-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NC2(CNCc3n[nH]c(=O)[n-]3)CCCC2)CC1 ZINC001378371008 1379893744 /nfs/dbraw/zinc/89/37/44/1379893744.db2.gz DSHDGWARNPENQD-HDJSIYSDSA-N -1 1 349.479 2.245 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCCN(C(=O)c2ccoc2)C1 ZINC001380020697 1381002292 /nfs/dbraw/zinc/00/22/92/1381002292.db2.gz DJDZKLHULJGIJB-SFHVURJKSA-N -1 1 343.383 2.053 20 0 EEADMM CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001380988273 1381484093 /nfs/dbraw/zinc/48/40/93/1381484093.db2.gz FWIBVVSGKMUYDE-LSDHHAIUSA-N -1 1 349.479 2.151 20 0 EEADMM Cc1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])c(C)s1 ZINC001382957784 1382305853 /nfs/dbraw/zinc/30/58/53/1382305853.db2.gz PSYNZOZXKVASQO-JTQLQIEISA-N -1 1 347.440 2.356 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)CC1CCC1)NC(=O)c1ncccc1[O-] ZINC001383231923 1382407121 /nfs/dbraw/zinc/40/71/21/1382407121.db2.gz QNSYLQNHFUNILM-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(C)(C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001383275222 1382431876 /nfs/dbraw/zinc/43/18/76/1382431876.db2.gz LTVIMRLYBSHTEM-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001383499976 1382514018 /nfs/dbraw/zinc/51/40/18/1382514018.db2.gz LKXUVILGJOPUTD-ZIAGYGMSSA-N -1 1 333.432 2.048 20 0 EEADMM Cc1cc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)co1 ZINC001384372428 1382907752 /nfs/dbraw/zinc/90/77/52/1382907752.db2.gz ZSKWFEDLCCUZTL-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384524474 1384432782 /nfs/dbraw/zinc/43/27/82/1384432782.db2.gz WFLYZZTYHNNPKB-NWDGAFQWSA-N -1 1 348.447 2.263 20 0 EEADMM O=C(CCC1CCC1)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385368824 1385508555 /nfs/dbraw/zinc/50/85/55/1385508555.db2.gz WIOBZIABPFDYCU-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM CCC(CC)C(=O)N[C@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001388081189 1387173360 /nfs/dbraw/zinc/17/33/60/1387173360.db2.gz ASTKDNNYEFRVSH-CYBMUJFWSA-N -1 1 348.447 2.120 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001391390923 1389337048 /nfs/dbraw/zinc/33/70/48/1389337048.db2.gz HQXWDFFRIGNCCE-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H](C)C1CC1 ZINC001395217779 1390802346 /nfs/dbraw/zinc/80/23/46/1390802346.db2.gz URTOEQXKIFAZCP-DZGCQCFKSA-N -1 1 347.459 2.436 20 0 EEADMM CCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ncccc1[O-] ZINC001396891227 1390986531 /nfs/dbraw/zinc/98/65/31/1390986531.db2.gz VNDVLFBEEFQSGG-KBPBESRZSA-N -1 1 333.432 2.477 20 0 EEADMM CC(C)(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001397646309 1391400007 /nfs/dbraw/zinc/40/00/07/1391400007.db2.gz JRFDJLLOQGTKOW-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCN(CCNC(=O)C12CCC(CC1)CC2)C(=O)c1ncccc1[O-] ZINC001398094582 1391690703 /nfs/dbraw/zinc/69/07/03/1391690703.db2.gz IBEVEOMCXWVDBS-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CC1(CNC(=O)C2CCCC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001400997349 1396812428 /nfs/dbraw/zinc/81/24/28/1396812428.db2.gz XLEVLKMDRMEJBT-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CN(CCC1CCN(C(=O)C2CCCCC2)CC1)Cc1n[nH]c(=O)[n-]1 ZINC001401307036 1397143823 /nfs/dbraw/zinc/14/38/23/1397143823.db2.gz UDHIXKVRIAQHCV-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H](CCNCC(F)(F)C(F)F)C1 ZINC001754913075 1406986152 /nfs/dbraw/zinc/98/61/52/1406986152.db2.gz RFHUIIRDGFTKMG-SNVBAGLBSA-N -1 1 349.328 2.129 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H]1CCCC1(C)C ZINC001424121848 1400919616 /nfs/dbraw/zinc/91/96/16/1400919616.db2.gz IEOIJFLMUJHCEI-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC001424235557 1400984540 /nfs/dbraw/zinc/98/45/40/1400984540.db2.gz CFLTXOPCLRCLPZ-VXGBXAGGSA-N -1 1 343.449 2.081 20 0 EEADMM CC(C)c1ocnc1CN(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001424282049 1401018861 /nfs/dbraw/zinc/01/88/61/1401018861.db2.gz NIISOZVVSLEUNX-UHFFFAOYSA-N -1 1 346.431 2.493 20 0 EEADMM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001426192171 1401944148 /nfs/dbraw/zinc/94/41/48/1401944148.db2.gz YHFAFQQUCUSRMW-CABCVRRESA-N -1 1 347.459 2.438 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)CC(C1CC1)C1CC1 ZINC001426615730 1402119257 /nfs/dbraw/zinc/11/92/57/1402119257.db2.gz JKYNLCWVGYAYFU-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])cc1C ZINC001427522867 1402459519 /nfs/dbraw/zinc/45/95/19/1402459519.db2.gz YYKBYMOPMYQYBO-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CC(C)(C)CC(=O)N[C@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428356405 1402686023 /nfs/dbraw/zinc/68/60/23/1402686023.db2.gz GOBXGXBSKHIQDG-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM CC1(CCC(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431465308 1403074938 /nfs/dbraw/zinc/07/49/38/1403074938.db2.gz QRPJXUPEZQKNQF-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)Nc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574297298 1403519476 /nfs/dbraw/zinc/51/94/76/1403519476.db2.gz SIEVHGFKMGUTJF-UHFFFAOYSA-N -1 1 343.416 2.074 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc2c1OCO2 ZINC001575486121 1403551040 /nfs/dbraw/zinc/55/10/40/1403551040.db2.gz OQAOQNCPDLPQNM-MRVPVSSYSA-N -1 1 328.284 2.106 20 0 EEADMM C[C@@H](OC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc2c1OCO2 ZINC001575486121 1403551047 /nfs/dbraw/zinc/55/10/47/1403551047.db2.gz OQAOQNCPDLPQNM-MRVPVSSYSA-N -1 1 328.284 2.106 20 0 EEADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577500085 1403659537 /nfs/dbraw/zinc/65/95/37/1403659537.db2.gz SANCYUTYFBDCQJ-DGCLKSJQSA-N -1 1 344.419 2.364 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001578527503 1403767368 /nfs/dbraw/zinc/76/73/68/1403767368.db2.gz SAHUMLUPOPWBOU-LBPRGKRZSA-N -1 1 336.399 2.244 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001578527503 1403767371 /nfs/dbraw/zinc/76/73/71/1403767371.db2.gz SAHUMLUPOPWBOU-LBPRGKRZSA-N -1 1 336.399 2.244 20 0 EEADMM C[S@@](=O)(=NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001580153099 1403837222 /nfs/dbraw/zinc/83/72/22/1403837222.db2.gz UAUDIXWMCXIYTM-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@@](=O)(=NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001580153099 1403837230 /nfs/dbraw/zinc/83/72/30/1403837230.db2.gz UAUDIXWMCXIYTM-QFIPXVFZSA-N -1 1 333.398 2.225 20 0 EEADMM CSc1ccccc1CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001580236274 1403851023 /nfs/dbraw/zinc/85/10/23/1403851023.db2.gz AKQYXJDOKAHSNY-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM CSc1ccccc1CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001580236274 1403851031 /nfs/dbraw/zinc/85/10/31/1403851031.db2.gz AKQYXJDOKAHSNY-UHFFFAOYSA-N -1 1 340.412 2.189 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001581201709 1403877250 /nfs/dbraw/zinc/87/72/50/1403877250.db2.gz PMULLCRJUCKVMJ-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1ccc(Cl)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001581201709 1403877255 /nfs/dbraw/zinc/87/72/55/1403877255.db2.gz PMULLCRJUCKVMJ-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1ccc(F)c(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1F ZINC001581202200 1403878398 /nfs/dbraw/zinc/87/83/98/1403878398.db2.gz MNWUDCVRWUNJDG-UHFFFAOYSA-N -1 1 330.298 2.125 20 0 EEADMM Cc1ccc(F)c(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c1F ZINC001581202200 1403878404 /nfs/dbraw/zinc/87/84/04/1403878404.db2.gz MNWUDCVRWUNJDG-UHFFFAOYSA-N -1 1 330.298 2.125 20 0 EEADMM COc1ccccc1N(C(=O)c1cccc(-c2nnn[n-]2)n1)C(C)C ZINC001591650836 1403934826 /nfs/dbraw/zinc/93/48/26/1403934826.db2.gz BQHKTPPHMNIWJF-UHFFFAOYSA-N -1 1 338.371 2.326 20 0 EEADMM COc1ccccc1N(C(=O)c1cccc(-c2nn[n-]n2)n1)C(C)C ZINC001591650836 1403934830 /nfs/dbraw/zinc/93/48/30/1403934830.db2.gz BQHKTPPHMNIWJF-UHFFFAOYSA-N -1 1 338.371 2.326 20 0 EEADMM Cc1cc(C)c(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001591946424 1403974306 /nfs/dbraw/zinc/97/43/06/1403974306.db2.gz MQSJEEXTFPKCCX-UHFFFAOYSA-N -1 1 329.385 2.226 20 0 EEADMM Cc1cc(C)c(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)s1 ZINC001591946424 1403974315 /nfs/dbraw/zinc/97/43/15/1403974315.db2.gz MQSJEEXTFPKCCX-UHFFFAOYSA-N -1 1 329.385 2.226 20 0 EEADMM Cc1ccc([C@H](C)C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001592135319 1404003946 /nfs/dbraw/zinc/00/39/46/1404003946.db2.gz PXVBWUFFSYBJMK-VIFPVBQESA-N -1 1 347.325 2.466 20 0 EEADMM Cc1ccc([C@H](C)C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001592135319 1404003953 /nfs/dbraw/zinc/00/39/53/1404003953.db2.gz PXVBWUFFSYBJMK-VIFPVBQESA-N -1 1 347.325 2.466 20 0 EEADMM Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592243921 1404015010 /nfs/dbraw/zinc/01/50/10/1404015010.db2.gz HRMMOCLRZMEERK-MRXNPFEDSA-N -1 1 348.410 2.306 20 0 EEADMM Cc1cccc2c1CCC[C@H]2NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592243921 1404015017 /nfs/dbraw/zinc/01/50/17/1404015017.db2.gz HRMMOCLRZMEERK-MRXNPFEDSA-N -1 1 348.410 2.306 20 0 EEADMM Cc1nc(NCCCNc2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001592390610 1404027669 /nfs/dbraw/zinc/02/76/69/1404027669.db2.gz RRLSJVDTYGBZLH-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1nc(NCCCNc2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001592390610 1404027677 /nfs/dbraw/zinc/02/76/77/1404027677.db2.gz RRLSJVDTYGBZLH-UHFFFAOYSA-N -1 1 328.355 2.018 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592413803 1404029884 /nfs/dbraw/zinc/02/98/84/1404029884.db2.gz YKLKRTSZKHIYGT-CYBMUJFWSA-N -1 1 349.402 2.122 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592413803 1404029891 /nfs/dbraw/zinc/02/98/91/1404029891.db2.gz YKLKRTSZKHIYGT-CYBMUJFWSA-N -1 1 349.402 2.122 20 0 EEADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001592456078 1404689555 /nfs/dbraw/zinc/68/95/55/1404689555.db2.gz GBVSJHPQQZGDEI-ZCFIWIBFSA-N -1 1 347.766 2.011 20 0 EEADMM Cc1nsc(Oc2ccc(C(=O)N(C)C)cc2)c1-c1nnn[n-]1 ZINC001592494226 1404703331 /nfs/dbraw/zinc/70/33/31/1404703331.db2.gz QJIVPJRBIMLSPE-UHFFFAOYSA-N -1 1 330.373 2.126 20 0 EEADMM Cc1nsc(Oc2ccc(C(=O)N(C)C)cc2)c1-c1nn[n-]n1 ZINC001592494226 1404703336 /nfs/dbraw/zinc/70/33/36/1404703336.db2.gz QJIVPJRBIMLSPE-UHFFFAOYSA-N -1 1 330.373 2.126 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCCC12CCOCC2 ZINC001592500415 1404704553 /nfs/dbraw/zinc/70/45/53/1404704553.db2.gz AZFQNOZIVFIHTE-ZDUSSCGKSA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCCC12CCOCC2 ZINC001592500415 1404704557 /nfs/dbraw/zinc/70/45/57/1404704557.db2.gz AZFQNOZIVFIHTE-ZDUSSCGKSA-N -1 1 332.360 2.274 20 0 EEADMM O=C(NCC1(c2ccccc2F)CCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593024041 1404732982 /nfs/dbraw/zinc/73/29/82/1404732982.db2.gz AIZTWUSGWGVJAQ-UHFFFAOYSA-N -1 1 341.346 2.451 20 0 EEADMM O=C(NCC1(c2ccccc2F)CCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593024041 1404732988 /nfs/dbraw/zinc/73/29/88/1404732988.db2.gz AIZTWUSGWGVJAQ-UHFFFAOYSA-N -1 1 341.346 2.451 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC001593106049 1404742826 /nfs/dbraw/zinc/74/28/26/1404742826.db2.gz MXQPVOXLPOPLFR-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=C(NCCc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001593106049 1404742844 /nfs/dbraw/zinc/74/28/44/1404742844.db2.gz MXQPVOXLPOPLFR-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001605699404 1404750267 /nfs/dbraw/zinc/75/02/67/1404750267.db2.gz FYTIVWAJLAIDHT-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001605699404 1404750268 /nfs/dbraw/zinc/75/02/68/1404750268.db2.gz FYTIVWAJLAIDHT-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC001606020130 1404756294 /nfs/dbraw/zinc/75/62/94/1404756294.db2.gz SUXOXMXSDBFYBY-KRWDZBQOSA-N -1 1 339.378 2.272 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(c3cccc(F)c3)C2)n1 ZINC001606020130 1404756297 /nfs/dbraw/zinc/75/62/97/1404756297.db2.gz SUXOXMXSDBFYBY-KRWDZBQOSA-N -1 1 339.378 2.272 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC001606019562 1404756592 /nfs/dbraw/zinc/75/65/92/1404756592.db2.gz IOHRXXFVUHYQKY-MFKMUULPSA-N -1 1 339.378 2.487 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)n1 ZINC001606019562 1404756594 /nfs/dbraw/zinc/75/65/94/1404756594.db2.gz IOHRXXFVUHYQKY-MFKMUULPSA-N -1 1 339.378 2.487 20 0 EEADMM CN(Cc1cc(C(=O)[O-])ccc1Br)[C@@H]1CCC[C@H]1O ZINC001606147831 1404769419 /nfs/dbraw/zinc/76/94/19/1404769419.db2.gz UDPBCJRTBJSDJO-CHWSQXEVSA-N -1 1 328.206 2.493 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001606335544 1404797380 /nfs/dbraw/zinc/79/73/80/1404797380.db2.gz LFNCTSSXFPUMQA-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccccc1C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001606335544 1404797388 /nfs/dbraw/zinc/79/73/88/1404797388.db2.gz LFNCTSSXFPUMQA-CYBMUJFWSA-N -1 1 339.378 2.397 20 0 EEADMM CCC(O)(CC)CC[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001771667073 1409855962 /nfs/dbraw/zinc/85/59/62/1409855962.db2.gz VTKCJLCJKSHTQN-UHFFFAOYSA-N -1 1 337.388 2.193 20 0 EEADMM CCC(CC)(CNC(=O)N1CCN(C)C[C@@H]1CC(C)C)C(=O)[O-] ZINC001772201562 1410094761 /nfs/dbraw/zinc/09/47/61/1410094761.db2.gz SPVPUCZDZOFWFU-AWEZNQCLSA-N -1 1 327.469 2.249 20 0 EEADMM O=C(c1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001772458091 1410196677 /nfs/dbraw/zinc/19/66/77/1410196677.db2.gz UWULMQKGGBGBEI-MRVPVSSYSA-N -1 1 343.721 2.084 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cccnc2F)n[n-]1 ZINC000846644510 790304914 /nfs/dbraw/zinc/30/49/14/790304914.db2.gz ZDSUSMWFQXGKMQ-NSHDSACASA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cccnc2F)[n-]1 ZINC000846644510 790304919 /nfs/dbraw/zinc/30/49/19/790304919.db2.gz ZDSUSMWFQXGKMQ-NSHDSACASA-N -1 1 349.366 2.033 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cccnc2F)n1 ZINC000846644510 790304923 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CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000938771321 774608124 /nfs/dbraw/zinc/60/81/24/774608124.db2.gz POAXGEVDIJMSRK-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cncc4ccccc43)nc2n1 ZINC001131778460 783230373 /nfs/dbraw/zinc/23/03/73/783230373.db2.gz NHMKMWKUSOFKBV-UHFFFAOYSA-N -1 1 348.366 2.171 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(c2cccc(F)n2)C1 ZINC001060357725 790411074 /nfs/dbraw/zinc/41/10/74/790411074.db2.gz JRZXELICFOHPRD-CHWSQXEVSA-N -1 1 344.390 2.356 20 0 EEADMM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000069641968 777251525 /nfs/dbraw/zinc/25/15/25/777251525.db2.gz VIVAESVELLTWMD-QWWZWVQMSA-N -1 1 345.185 2.365 20 0 EEADMM Cc1nsc(NCC[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001063273108 790539840 /nfs/dbraw/zinc/53/98/40/790539840.db2.gz ZGRRBKJTZSJYIC-GFCCVEGCSA-N -1 1 347.444 2.302 20 0 EEADMM CC(C)n1c(CCNC(=O)c2ccnc(C3CC3)n2)n[n-]c1=S ZINC000069706003 777511269 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326.341 2.426 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064229223 792714153 /nfs/dbraw/zinc/71/41/53/792714153.db2.gz OGVCNDMUWJBUJL-STQMWFEESA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064231098 792716919 /nfs/dbraw/zinc/71/69/19/792716919.db2.gz GORHXXRQSROURV-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1cncc(Cl)n1 ZINC001089272742 793928276 /nfs/dbraw/zinc/92/82/76/793928276.db2.gz QOLAORGBQZRFKL-ZJUUUORDSA-N -1 1 335.795 2.240 20 0 EEADMM CSc1ccnc(NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001064897447 793933753 /nfs/dbraw/zinc/93/37/53/793933753.db2.gz MTOLQMJGJPTDQY-NSHDSACASA-N -1 1 345.428 2.016 20 0 EEADMM Cc1nc(C)c(C)c(NCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001106296274 795360731 /nfs/dbraw/zinc/36/07/31/795360731.db2.gz MKTHKHBBTGFTRW-SNVBAGLBSA-N -1 1 329.404 2.123 20 0 EEADMM CC(C)c1[nH]ccc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001077938698 795423182 /nfs/dbraw/zinc/42/31/82/795423182.db2.gz CDPULJPIVWYJDM-LBPRGKRZSA-N -1 1 344.415 2.177 20 0 EEADMM C[C@@H]1CCC[C@]1(C)C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946536143 795591444 /nfs/dbraw/zinc/59/14/44/795591444.db2.gz RYQDZAFEQLKYRL-YJYMSZOUSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)CC(C)=C(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080262216 795791863 /nfs/dbraw/zinc/79/18/63/795791863.db2.gz QWCXMLWDPGDFMJ-UHFFFAOYSA-N -1 1 331.416 2.207 20 0 EEADMM C[C@@H](CCNC(=O)c1ccoc1C1CC1)NC(=O)c1ncccc1[O-] ZINC001078064850 795829749 /nfs/dbraw/zinc/82/97/49/795829749.db2.gz DHTPJTLQBHXUQI-NSHDSACASA-N -1 1 343.383 2.196 20 0 EEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)c(C)o1 ZINC000993235831 796154894 /nfs/dbraw/zinc/15/48/94/796154894.db2.gz ADKMCKHGXQQIQD-RISCZKNCSA-N -1 1 344.415 2.175 20 0 EEADMM CCc1cnc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C)o1 ZINC000993246826 796165793 /nfs/dbraw/zinc/16/57/93/796165793.db2.gz JLLYVTYYJSJDQS-GXTWGEPZSA-N -1 1 344.415 2.121 20 0 EEADMM Cc1cc(CO)cc(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])c1 ZINC001212759015 797647649 /nfs/dbraw/zinc/64/76/49/797647649.db2.gz YAOZPEVDRUORIT-UHFFFAOYSA-N -1 1 336.369 2.203 20 0 EEADMM C[C@@H]1Cc2cc(C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)ccc2O1 ZINC001168694511 798007464 /nfs/dbraw/zinc/00/74/64/798007464.db2.gz NHYJHUAPTJZAKZ-BDJLRTHQSA-N -1 1 335.367 2.043 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2c(C)ccnc2OC)no1 ZINC001212767987 798014855 /nfs/dbraw/zinc/01/48/55/798014855.db2.gz IGABWIXOINYABX-UHFFFAOYSA-N -1 1 329.316 2.015 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cccc(F)c2OC)no1 ZINC001212768266 798020179 /nfs/dbraw/zinc/02/01/79/798020179.db2.gz WYFMCZIHARUKKH-UHFFFAOYSA-N -1 1 332.291 2.451 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCN(Cc3ccccc3F)C[C@H]21 ZINC001084299504 798158847 /nfs/dbraw/zinc/15/88/47/798158847.db2.gz ZCPJGYDTUAUDPV-GDBMZVCRSA-N -1 1 341.386 2.273 20 0 EEADMM CSc1nc(Nc2ccc(S(C)(=O)=O)cc2F)cc(=O)[n-]1 ZINC001176274098 798396197 /nfs/dbraw/zinc/39/61/97/798396197.db2.gz DQVGINZMPDJGAQ-UHFFFAOYSA-N -1 1 329.378 2.190 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCN(Cc2ccncc2)CC1 ZINC000143982513 798807993 /nfs/dbraw/zinc/80/79/93/798807993.db2.gz KHBXHUSBHFJVSI-UHFFFAOYSA-N -1 1 331.803 2.399 20 0 EEADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC001085227571 800262551 /nfs/dbraw/zinc/26/25/51/800262551.db2.gz CMMAAHKYFWCONN-ZIAGYGMSSA-N -1 1 349.479 2.244 20 0 EEADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)CCCCCC1 ZINC001085228270 800263680 /nfs/dbraw/zinc/26/36/80/800263680.db2.gz RCJUKSUSIYPIJY-ZIAGYGMSSA-N -1 1 349.479 2.388 20 0 EEADMM CCCC[C@@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)C(C)C ZINC001180235423 800325085 /nfs/dbraw/zinc/32/50/85/800325085.db2.gz QMAPBUAHARSALD-MJBXVCDLSA-N -1 1 337.468 2.052 20 0 EEADMM CC(C)c1nccc(N2CCC[C@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001061345087 800445967 /nfs/dbraw/zinc/44/59/67/800445967.db2.gz YQINPXGWCFEXDE-ZDUSSCGKSA-N -1 1 341.415 2.099 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1nc(Sc2ccccc2)ns1 ZINC001182646099 801294784 /nfs/dbraw/zinc/29/47/84/801294784.db2.gz CUVAWENOPHRAPR-UHFFFAOYSA-N -1 1 347.429 2.164 20 0 EEADMM COc1cc(Br)c([O-])c(NC(=O)CCC2OCCO2)c1 ZINC001182730740 801329170 /nfs/dbraw/zinc/32/91/70/801329170.db2.gz UBPGXMVBWZROTQ-UHFFFAOYSA-N -1 1 346.177 2.255 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)Cn1ccc2c1cccc2F ZINC001182820512 801360861 /nfs/dbraw/zinc/36/08/61/801360861.db2.gz PSJGIVAYMCSFOL-UHFFFAOYSA-N -1 1 331.263 2.018 20 0 EEADMM CSc1nc(NC(=O)[C@@H]2CCOc3ccccc3O2)cc(=O)[n-]1 ZINC001184703256 802138516 /nfs/dbraw/zinc/13/85/16/802138516.db2.gz GPXIXRCCCJURPY-NSHDSACASA-N -1 1 333.369 2.073 20 0 EEADMM C[C@H](NCc1n[nH]c(=O)[n-]1)[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001004762735 802825230 /nfs/dbraw/zinc/82/52/30/802825230.db2.gz AOCAIYYAPFGTKG-DZGCQCFKSA-N -1 1 347.463 2.260 20 0 EEADMM Cc1cc(CN[C@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])no1 ZINC001004817277 802988658 /nfs/dbraw/zinc/98/86/58/802988658.db2.gz MSTCYMPTCFXJAN-UKRRQHHQSA-N -1 1 344.415 2.257 20 0 EEADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)NCc2n[nH]c(=O)[n-]2)cs1 ZINC001004957118 803313122 /nfs/dbraw/zinc/31/31/22/803313122.db2.gz ARZGGFIACOYLSI-AAEUAGOBSA-N -1 1 349.460 2.053 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H](C)Nc1ncnc2ccsc21 ZINC001112983062 807786850 /nfs/dbraw/zinc/78/68/50/807786850.db2.gz FRWBZZNZCIUKLN-NXEZZACHSA-N -1 1 343.412 2.411 20 0 EEADMM CC/C=C/CCN1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC001113533076 809172154 /nfs/dbraw/zinc/17/21/54/809172154.db2.gz RITLSXXLJCDRMR-ONEGZZNKSA-N -1 1 330.388 2.043 20 0 EEADMM COc1cc(C(F)(F)F)ccc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170217562 809819822 /nfs/dbraw/zinc/81/98/22/809819822.db2.gz IYVNVPHHTNKNNV-UHFFFAOYSA-N -1 1 341.249 2.487 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2c3cc[nH]c3ncc2Br)[n-]1 ZINC001170232306 809832455 /nfs/dbraw/zinc/83/24/55/809832455.db2.gz IIODDDSTCLOWEU-UHFFFAOYSA-N -1 1 346.148 2.393 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC[C@H]2CCO[C@H]2C)c(=O)[n-]1 ZINC000793451991 810341059 /nfs/dbraw/zinc/34/10/59/810341059.db2.gz PKGYVOHTXJBMCA-WDEREUQCSA-N -1 1 326.418 2.113 20 0 EEADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000793464789 810349819 /nfs/dbraw/zinc/34/98/19/810349819.db2.gz SLFJYBXRMKACOD-UHFFFAOYSA-N -1 1 336.369 2.214 20 0 EEADMM Cc1ccc([C@H](CNC(=O)C(=O)[N-]OC2CCCCC2)N(C)C)cc1 ZINC000793722549 810480136 /nfs/dbraw/zinc/48/01/36/810480136.db2.gz UHTFNKFJLGUJLK-KRWDZBQOSA-N -1 1 347.459 2.094 20 0 EEADMM O=C(NC1(CNc2cnc(F)cn2)CCCCC1)c1ncccc1[O-] ZINC001114156814 810491445 /nfs/dbraw/zinc/49/14/45/810491445.db2.gz HMYPJGGXXMCUKH-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM CC(C)[C@H](CC(F)(F)F)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806495711 811884912 /nfs/dbraw/zinc/88/49/12/811884912.db2.gz VMYOVBHFCPOKRP-NSHDSACASA-N -1 1 329.326 2.440 20 0 EEADMM CC(C)OC1CCC(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)CC1 ZINC000806487040 811896937 /nfs/dbraw/zinc/89/69/37/811896937.db2.gz NXFAXSDZZGPAEQ-UHFFFAOYSA-N -1 1 331.420 2.200 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1CC[C@H](C)C1 ZINC000826233095 947681569 /nfs/dbraw/zinc/68/15/69/947681569.db2.gz UEDOJXSXBJIKSZ-CABZTGNLSA-N -1 1 345.403 2.249 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC=C(F)C1 ZINC000826340595 947977027 /nfs/dbraw/zinc/97/70/27/947977027.db2.gz DMTRPGAJQMUEDM-UHFFFAOYSA-N -1 1 342.334 2.258 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC=C(F)C1 ZINC000826340595 947977032 /nfs/dbraw/zinc/97/70/32/947977032.db2.gz DMTRPGAJQMUEDM-UHFFFAOYSA-N -1 1 342.334 2.258 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2cccs2)c1-c1nnn[n-]1 ZINC000826344662 948011480 /nfs/dbraw/zinc/01/14/80/948011480.db2.gz OABLJSZUIAYVDB-LLVKDONJSA-N -1 1 344.400 2.131 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2cccs2)c1-c1nn[n-]n1 ZINC000826344662 948011491 /nfs/dbraw/zinc/01/14/91/948011491.db2.gz OABLJSZUIAYVDB-LLVKDONJSA-N -1 1 344.400 2.131 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1CCC(C2CC2)CC1 ZINC001570927349 948708853 /nfs/dbraw/zinc/70/88/53/948708853.db2.gz NXLPLZMBSVAVQZ-UHFFFAOYSA-N -1 1 326.404 2.094 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1CCC(C2CC2)CC1 ZINC001570927349 948708858 /nfs/dbraw/zinc/70/88/58/948708858.db2.gz NXLPLZMBSVAVQZ-UHFFFAOYSA-N -1 1 326.404 2.094 20 0 EEADMM COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC001570929406 948769250 /nfs/dbraw/zinc/76/92/50/948769250.db2.gz NNXKVDRUNGHIBD-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC001570929406 948769254 /nfs/dbraw/zinc/76/92/54/948769254.db2.gz NNXKVDRUNGHIBD-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccc(Cl)cn1 ZINC001570933308 948885366 /nfs/dbraw/zinc/88/53/66/948885366.db2.gz MFHZBSCYGYJCLJ-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCC=C2 ZINC001570934371 948935642 /nfs/dbraw/zinc/93/56/42/948935642.db2.gz DIFLVNGWRGESMO-UHFFFAOYSA-N -1 1 338.396 2.213 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCC=C2 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EEADMM CC1(C)C[C@@H](Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)C(C)(C)O1 ZINC001575638998 950851612 /nfs/dbraw/zinc/85/16/12/950851612.db2.gz LXAILYCEXGVZCM-LBPRGKRZSA-N -1 1 343.431 2.111 20 0 EEADMM O=C([O-])c1cccc(CN2CCC[C@H](N3CCOCC3)C2)c1Cl ZINC000382791004 971832976 /nfs/dbraw/zinc/83/29/76/971832976.db2.gz XOANZYVKVZPGMT-AWEZNQCLSA-N -1 1 338.835 2.335 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC001589308176 953765399 /nfs/dbraw/zinc/76/53/99/953765399.db2.gz JHCOSNOFDAIJRH-VXGBXAGGSA-N -1 1 337.420 2.061 20 0 EEADMM C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000854245820 955908020 /nfs/dbraw/zinc/90/80/20/955908020.db2.gz DNZKSWJQDVKPGZ-MFKMUULPSA-N -1 1 344.333 2.274 20 0 EEADMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000854245820 955908033 /nfs/dbraw/zinc/90/80/33/955908033.db2.gz DNZKSWJQDVKPGZ-MFKMUULPSA-N -1 1 344.333 2.274 20 0 EEADMM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000874036527 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CCCCn1ncc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000821083444 607435030 /nfs/dbraw/zinc/43/50/30/607435030.db2.gz ZBEMJVRDHQUZLO-UHFFFAOYSA-N -1 1 341.375 2.130 20 0 EEADMM O=C([O-])c1cc(NC(=O)c2cccc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000238191268 600543518 /nfs/dbraw/zinc/54/35/18/600543518.db2.gz JKXJBXPEPHMCBC-UHFFFAOYSA-N -1 1 326.268 2.422 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000832848753 601080167 /nfs/dbraw/zinc/08/01/67/601080167.db2.gz MLOOHGWQUZWQAN-JTQLQIEISA-N -1 1 341.289 2.163 20 0 EEADMM C/C(=C\C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1cccc(F)c1 ZINC000825716842 601097020 /nfs/dbraw/zinc/09/70/20/601097020.db2.gz PHIOOKQBZCTDBF-JWAFFJSPSA-N -1 1 334.391 2.236 20 0 EEADMM CN(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000830585227 601108699 /nfs/dbraw/zinc/10/86/99/601108699.db2.gz TUWYMEGBIXCTEA-OAHLLOKOSA-N -1 1 347.802 2.466 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000827374800 601121843 /nfs/dbraw/zinc/12/18/43/601121843.db2.gz LVXOHXFKYNIXNC-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2Cc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000824358237 607492212 /nfs/dbraw/zinc/49/22/12/607492212.db2.gz CYRQTPVFYXOMMR-CYBMUJFWSA-N -1 1 340.391 2.105 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2Cc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000824358237 607492213 /nfs/dbraw/zinc/49/22/13/607492213.db2.gz CYRQTPVFYXOMMR-CYBMUJFWSA-N -1 1 340.391 2.105 20 0 EEADMM O=C([O-])COc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000833262326 601335100 /nfs/dbraw/zinc/33/51/00/601335100.db2.gz YAANFLLOHWYNGJ-UHFFFAOYSA-N -1 1 344.371 2.285 20 0 EEADMM CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000830104831 601362254 /nfs/dbraw/zinc/36/22/54/601362254.db2.gz VPGMZLOQDRTZQO-UHFFFAOYSA-N -1 1 336.369 2.288 20 0 EEADMM COC[C@@](C)(CC(=O)[O-])NCc1nc2ccccc2n1C(F)F ZINC000831584091 601490611 /nfs/dbraw/zinc/49/06/11/601490611.db2.gz CMFPXBMOLJHYPU-OAHLLOKOSA-N -1 1 327.331 2.401 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832367637 601527719 /nfs/dbraw/zinc/52/77/19/601527719.db2.gz KIPCUXSKEQVYDP-NHCYSSNCSA-N -1 1 340.807 2.328 20 0 EEADMM O=C([O-])Cc1ccccc1NC(=O)CSc1n[nH]c(=S)s1 ZINC000819603116 601729423 /nfs/dbraw/zinc/72/94/23/601729423.db2.gz ZDAJAHPPGCRWAU-UHFFFAOYSA-N -1 1 341.439 2.185 20 0 EEADMM C[C@H]1CN(CN2C(=S)N=NC2CCC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000828462485 601820351 /nfs/dbraw/zinc/82/03/51/601820351.db2.gz KCBPYFBRXIHLRT-AAEUAGOBSA-N -1 1 338.477 2.300 20 0 EEADMM CC(C)CN(CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C1CC1 ZINC000826881195 601873219 /nfs/dbraw/zinc/87/32/19/601873219.db2.gz IJKLNUYUUPIRET-UHFFFAOYSA-N -1 1 345.399 2.231 20 0 EEADMM COC[C@@H](C)n1c(C)cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000831651384 601943231 /nfs/dbraw/zinc/94/32/31/601943231.db2.gz XSDMGFFOWOGFIH-ACJLOTCBSA-N -1 1 336.432 2.292 20 0 EEADMM CC[C@@](NC(=O)[C@H]1CCCc2[nH]ncc21)(C(=O)[O-])c1ccccc1 ZINC000828921631 602029944 /nfs/dbraw/zinc/02/99/44/602029944.db2.gz QBQWIDYYOXRFIX-UGSOOPFHSA-N -1 1 327.384 2.336 20 0 EEADMM O=C([O-])[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1 ZINC000833124437 602047303 /nfs/dbraw/zinc/04/73/03/602047303.db2.gz APXFXBOYNNCQKM-FZMZJTMJSA-N -1 1 333.775 2.425 20 0 EEADMM N=C(NOCc1ccc(F)cc1C(=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000833077909 602160722 /nfs/dbraw/zinc/16/07/22/602160722.db2.gz GLKZXRMGBSJUMH-HNNXBMFYSA-N -1 1 346.314 2.362 20 0 EEADMM CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824243542 607572963 /nfs/dbraw/zinc/57/29/63/607572963.db2.gz ITWISKZAFQRXLW-SNVBAGLBSA-N -1 1 341.412 2.109 20 0 EEADMM CC(C)CC[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824243542 607572965 /nfs/dbraw/zinc/57/29/65/607572965.db2.gz ITWISKZAFQRXLW-SNVBAGLBSA-N -1 1 341.412 2.109 20 0 EEADMM O=C([O-])c1cccc(OCCN2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000833331355 604370325 /nfs/dbraw/zinc/37/03/25/604370325.db2.gz DBZAXMHDBZVGMG-CQSZACIVSA-N -1 1 347.333 2.399 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1)C(=O)[O-] ZINC000833544087 604635828 /nfs/dbraw/zinc/63/58/28/604635828.db2.gz WSXKJPDQPKTZJM-HOCLYGCPSA-N -1 1 346.427 2.125 20 0 EEADMM C[C@@H]1CN(c2cccc(C(=O)[O-])n2)CCN1C[C@H](O)c1ccccc1 ZINC000833634318 604712991 /nfs/dbraw/zinc/71/29/91/604712991.db2.gz GJZZSHZNDHZPCK-PBHICJAKSA-N -1 1 341.411 2.024 20 0 EEADMM CCCc1c(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)[nH]c(C)c1C(=O)[O-] ZINC000833653403 605072455 /nfs/dbraw/zinc/07/24/55/605072455.db2.gz SERMWNPMBNXHMM-VIFPVBQESA-N -1 1 333.392 2.145 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccc(F)c1 ZINC000833383386 605097547 /nfs/dbraw/zinc/09/75/47/605097547.db2.gz SLPZLOVCMWOGQE-ZVHGMHCTSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CCCc2ccccc21 ZINC000833623144 605168079 /nfs/dbraw/zinc/16/80/79/605168079.db2.gz QUVKWJLONUYNLO-FOIQADDNSA-N -1 1 344.455 2.288 20 0 EEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820643543 606104471 /nfs/dbraw/zinc/10/44/71/606104471.db2.gz XAKKIANJURBKDS-DZGCQCFKSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820643543 606104472 /nfs/dbraw/zinc/10/44/72/606104472.db2.gz XAKKIANJURBKDS-DZGCQCFKSA-N -1 1 348.410 2.355 20 0 EEADMM Cc1ccc(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)c1 ZINC000822263783 606195245 /nfs/dbraw/zinc/19/52/45/606195245.db2.gz ZEBHRJIIPNKOIG-UHFFFAOYSA-N -1 1 339.355 2.207 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc3c(s2)CCC3)c1-c1nnn[n-]1 ZINC000822531401 606238656 /nfs/dbraw/zinc/23/86/56/606238656.db2.gz ZSKKFHQHGXLHMI-UHFFFAOYSA-N -1 1 346.441 2.458 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cc3c(s2)CCC3)c1-c1nn[n-]n1 ZINC000822531401 606238657 /nfs/dbraw/zinc/23/86/57/606238657.db2.gz ZSKKFHQHGXLHMI-UHFFFAOYSA-N -1 1 346.441 2.458 20 0 EEADMM Fc1cccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000822787100 606426446 /nfs/dbraw/zinc/42/64/46/606426446.db2.gz VMBYUJYMNNCKNK-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1cccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000822787100 606426447 /nfs/dbraw/zinc/42/64/47/606426447.db2.gz VMBYUJYMNNCKNK-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)C1(C)C ZINC000821679083 606443514 /nfs/dbraw/zinc/44/35/14/606443514.db2.gz WYJWCHYLEYLUGZ-ABAIWWIYSA-N -1 1 335.433 2.204 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC000821679083 606443517 /nfs/dbraw/zinc/44/35/17/606443517.db2.gz WYJWCHYLEYLUGZ-ABAIWWIYSA-N -1 1 335.433 2.204 20 0 EEADMM O=C(Nc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363787 606511422 /nfs/dbraw/zinc/51/14/22/606511422.db2.gz NDFJVXRENTWJHC-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363787 606511424 /nfs/dbraw/zinc/51/14/24/606511424.db2.gz NDFJVXRENTWJHC-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM CCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000820962770 606544128 /nfs/dbraw/zinc/54/41/28/606544128.db2.gz ZABWLHSGAOMAPI-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM CCC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000820962770 606544130 /nfs/dbraw/zinc/54/41/30/606544130.db2.gz ZABWLHSGAOMAPI-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM CN(CCc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821605144 606556646 /nfs/dbraw/zinc/55/66/46/606556646.db2.gz WVVLHQJQQZZIOQ-UHFFFAOYSA-N -1 1 331.376 2.382 20 0 EEADMM CN(CCc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821605144 606556647 /nfs/dbraw/zinc/55/66/47/606556647.db2.gz WVVLHQJQQZZIOQ-UHFFFAOYSA-N -1 1 331.376 2.382 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907725 606566375 /nfs/dbraw/zinc/56/63/75/606566375.db2.gz QLESWSVFZAQFCJ-MFKMUULPSA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907725 606566377 /nfs/dbraw/zinc/56/63/77/606566377.db2.gz QLESWSVFZAQFCJ-MFKMUULPSA-N -1 1 349.460 2.499 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCCC2 ZINC000821362055 606577604 /nfs/dbraw/zinc/57/76/04/606577604.db2.gz XYGPKQUWRLSAQZ-OLZOCXBDSA-N -1 1 347.444 2.396 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCCC2 ZINC000821362055 606577606 /nfs/dbraw/zinc/57/76/06/606577606.db2.gz XYGPKQUWRLSAQZ-OLZOCXBDSA-N -1 1 347.444 2.396 20 0 EEADMM CSc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821982762 606651313 /nfs/dbraw/zinc/65/13/13/606651313.db2.gz ATDHOMAVECEDKQ-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821982762 606651314 /nfs/dbraw/zinc/65/13/14/606651314.db2.gz ATDHOMAVECEDKQ-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)cc(F)c1 ZINC000820508818 606686649 /nfs/dbraw/zinc/68/66/49/606686649.db2.gz YJUGKGRFTADHJY-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)cc(F)c1 ZINC000820508818 606686650 /nfs/dbraw/zinc/68/66/50/606686650.db2.gz YJUGKGRFTADHJY-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](CNc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820281110 606816436 /nfs/dbraw/zinc/81/64/36/606816436.db2.gz RFSSPKLEWGLZFU-JTQLQIEISA-N -1 1 328.401 2.159 20 0 EEADMM C[C@@H](CNc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820281110 606816437 /nfs/dbraw/zinc/81/64/37/606816437.db2.gz RFSSPKLEWGLZFU-JTQLQIEISA-N -1 1 328.401 2.159 20 0 EEADMM O[C@]12CCCC[C@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000823697041 607034280 /nfs/dbraw/zinc/03/42/80/607034280.db2.gz IGFIYVZKEBKZOR-SDBXPKJASA-N -1 1 340.840 2.108 20 0 EEADMM O[C@]12CCCC[C@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000823697041 607034281 /nfs/dbraw/zinc/03/42/81/607034281.db2.gz IGFIYVZKEBKZOR-SDBXPKJASA-N -1 1 340.840 2.108 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(-n2cccc2)cc1 ZINC000823379654 607103716 /nfs/dbraw/zinc/10/37/16/607103716.db2.gz CLHJRMCYGKJWOQ-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(-n2cccc2)cc1 ZINC000823379654 607103718 /nfs/dbraw/zinc/10/37/18/607103718.db2.gz CLHJRMCYGKJWOQ-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM Cc1nc(Cl)ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826326113 607780878 /nfs/dbraw/zinc/78/08/78/607780878.db2.gz AMRFNNDVACAIHS-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM c1cnn(C[C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)c1 ZINC000826520602 607900506 /nfs/dbraw/zinc/90/05/06/607900506.db2.gz NWSGASIQRFLTOA-OAHLLOKOSA-N -1 1 332.371 2.312 20 0 EEADMM c1cnn(C[C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)c1 ZINC000826520602 607900507 /nfs/dbraw/zinc/90/05/07/607900507.db2.gz NWSGASIQRFLTOA-OAHLLOKOSA-N -1 1 332.371 2.312 20 0 EEADMM Cn1c2ccccc2nc1[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826355175 607901883 /nfs/dbraw/zinc/90/18/83/607901883.db2.gz NJUNZQGQOMAHTI-OAHLLOKOSA-N -1 1 346.398 2.490 20 0 EEADMM Cn1c2ccccc2nc1[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826355175 607901884 /nfs/dbraw/zinc/90/18/84/607901884.db2.gz NJUNZQGQOMAHTI-OAHLLOKOSA-N -1 1 346.398 2.490 20 0 EEADMM CC(=O)c1ccc2c(c1)CCN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000824030173 607903584 /nfs/dbraw/zinc/90/35/84/607903584.db2.gz YCPNJOYRSQQNGH-UHFFFAOYSA-N -1 1 334.383 2.070 20 0 EEADMM CC(=O)c1ccc2c(c1)CCN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000824030173 607903585 /nfs/dbraw/zinc/90/35/85/607903585.db2.gz YCPNJOYRSQQNGH-UHFFFAOYSA-N -1 1 334.383 2.070 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c(F)cccc2C1 ZINC000826472845 607956938 /nfs/dbraw/zinc/95/69/38/607956938.db2.gz YPXYUUCJPRSDFH-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c(F)cccc2C1 ZINC000826472845 607956939 /nfs/dbraw/zinc/95/69/39/607956939.db2.gz YPXYUUCJPRSDFH-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)Cc2ccccc21 ZINC000824807275 608003773 /nfs/dbraw/zinc/00/37/73/608003773.db2.gz HILIKLBQZOEWMN-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2ccccc21 ZINC000824807275 608003774 /nfs/dbraw/zinc/00/37/74/608003774.db2.gz HILIKLBQZOEWMN-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM COc1ccccc1OC[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000826220629 608124272 /nfs/dbraw/zinc/12/42/72/608124272.db2.gz UJCARTIWBUUACP-GFCCVEGCSA-N -1 1 340.387 2.397 20 0 EEADMM COc1ccccc1OC[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000826220629 608124273 /nfs/dbraw/zinc/12/42/73/608124273.db2.gz UJCARTIWBUUACP-GFCCVEGCSA-N -1 1 340.387 2.397 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826466888 608255740 /nfs/dbraw/zinc/25/57/40/608255740.db2.gz XKZOQFLWSZQCGL-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826466888 608255741 /nfs/dbraw/zinc/25/57/41/608255741.db2.gz XKZOQFLWSZQCGL-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2cnoc2C2CC2)c2ccccc12 ZINC000826501431 608292204 /nfs/dbraw/zinc/29/22/04/608292204.db2.gz PPEZVPVWWLBZJB-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824897867 608424155 /nfs/dbraw/zinc/42/41/55/608424155.db2.gz CAPSWJDCJQQAJE-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824897867 608424157 /nfs/dbraw/zinc/42/41/57/608424157.db2.gz CAPSWJDCJQQAJE-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2cccc(F)c2C1 ZINC000826472825 608454064 /nfs/dbraw/zinc/45/40/64/608454064.db2.gz XYVKVSSVCHTNSU-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2cccc(F)c2C1 ZINC000826472825 608454065 /nfs/dbraw/zinc/45/40/65/608454065.db2.gz XYVKVSSVCHTNSU-UHFFFAOYSA-N -1 1 329.360 2.266 20 0 EEADMM O=C(OC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462706 609385909 /nfs/dbraw/zinc/38/59/09/609385909.db2.gz GEPMOWKFSAUNFP-GFCCVEGCSA-N -1 1 335.367 2.224 20 0 EEADMM O=C(OC[C@@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462706 609385911 /nfs/dbraw/zinc/38/59/11/609385911.db2.gz GEPMOWKFSAUNFP-GFCCVEGCSA-N -1 1 335.367 2.224 20 0 EEADMM Clc1ccc(N2CCC([C@@H]3CCOC3)CC2)nc1-c1nnn[n-]1 ZINC000826351887 609591200 /nfs/dbraw/zinc/59/12/00/609591200.db2.gz FSUKRFUYBPASGI-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCC([C@@H]3CCOC3)CC2)nc1-c1nn[n-]n1 ZINC000826351887 609591202 /nfs/dbraw/zinc/59/12/02/609591202.db2.gz FSUKRFUYBPASGI-LLVKDONJSA-N -1 1 334.811 2.168 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@H]1CC=CCC1 ZINC001020460381 674838058 /nfs/dbraw/zinc/83/80/58/674838058.db2.gz XOGAIRZYUOFTGF-KKUMJFAQSA-N -1 1 343.427 2.253 20 0 EEADMM CC(C)[C@@H]1CCc2nc(NC(=O)CCCc3nn[n-]n3)sc2C1 ZINC000890593331 674976498 /nfs/dbraw/zinc/97/64/98/674976498.db2.gz JOWFNMISBLJFIW-SNVBAGLBSA-N -1 1 334.449 2.379 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3ccc(F)cc3C)C2)c1[O-] ZINC000969500140 675078830 /nfs/dbraw/zinc/07/88/30/675078830.db2.gz IANJBYFFLXDWBE-LLVKDONJSA-N -1 1 346.406 2.122 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000891187714 676147335 /nfs/dbraw/zinc/14/73/35/676147335.db2.gz RGUNYRWDZJLNIY-OTYXRUKQSA-N -1 1 325.459 2.038 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@@H](O)[C@H](F)C3)c2)o1 ZINC000890680400 675319117 /nfs/dbraw/zinc/31/91/17/675319117.db2.gz YAFMSXHZYFZMIK-UKRRQHHQSA-N -1 1 333.315 2.010 20 0 EEADMM C[C@@H]1CN(C(=O)C2CCCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020660619 675363700 /nfs/dbraw/zinc/36/37/00/675363700.db2.gz ZNXMWOILMSPUFJ-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078982919 675429688 /nfs/dbraw/zinc/42/96/88/675429688.db2.gz KPOMTWNQRKGLCN-UHFFFAOYSA-N -1 1 349.799 2.420 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])[n-]1 ZINC000080737631 675467271 /nfs/dbraw/zinc/46/72/71/675467271.db2.gz LJCLWSKMDPYVDT-UHFFFAOYSA-N -1 1 329.309 2.348 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(F)cc2[N+](=O)[O-])c[n-]1 ZINC000080737631 675467274 /nfs/dbraw/zinc/46/72/74/675467274.db2.gz LJCLWSKMDPYVDT-UHFFFAOYSA-N -1 1 329.309 2.348 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1ccc(F)c(F)c1)c1ncccc1[O-] ZINC001038183650 675679977 /nfs/dbraw/zinc/67/99/77/675679977.db2.gz LHFCIISNCAMJQM-LBPRGKRZSA-N -1 1 333.338 2.070 20 0 EEADMM O=C(N[C@H]1C[C@@H](NCc2noc3c2CCCC3)C1)c1ccccc1O ZINC001021843441 676518041 /nfs/dbraw/zinc/51/80/41/676518041.db2.gz MRWWPANLKJYWKS-BETUJISGSA-N -1 1 341.411 2.310 20 0 EEADMM COCc1nc(N2CCC(C(=O)Nc3ccccc3)CC2)cc(=O)[n-]1 ZINC000891589930 676707445 /nfs/dbraw/zinc/70/74/45/676707445.db2.gz UWEUDYSBCHCSHN-UHFFFAOYSA-N -1 1 342.399 2.184 20 0 EEADMM Cc1cc(C)n([C@H](C)CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)n1 ZINC000891625145 676734121 /nfs/dbraw/zinc/73/41/21/676734121.db2.gz VFQZQMJZCMRJON-GFCCVEGCSA-N -1 1 329.404 2.464 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCC(C)=O ZINC000052172245 678885745 /nfs/dbraw/zinc/88/57/45/678885745.db2.gz CHBKXIZUXAWQGE-UHFFFAOYSA-N -1 1 327.402 2.364 20 0 EEADMM O=C(NC[C@H]1CCCCN1Cc1ccc(F)cn1)c1ncccc1[O-] ZINC001024407990 679891814 /nfs/dbraw/zinc/89/18/14/679891814.db2.gz UDUUUGRZWKVGNN-OAHLLOKOSA-N -1 1 344.390 2.106 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccsc1 ZINC000984800618 685273563 /nfs/dbraw/zinc/27/35/63/685273563.db2.gz ABWNULZBEDMLDN-QWHCGFSZSA-N -1 1 345.424 2.272 20 0 EEADMM CN(C(=O)C1(F)CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937218967 681723837 /nfs/dbraw/zinc/72/38/37/681723837.db2.gz BSPOFASCTRIVBN-ZDUSSCGKSA-N -1 1 349.406 2.133 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(Cc2cscn2)C1 ZINC001025394546 682666865 /nfs/dbraw/zinc/66/68/65/682666865.db2.gz RHSSVTAKGQCPCL-QWHCGFSZSA-N -1 1 346.456 2.274 20 0 EEADMM CCC(=O)N1CCC[C@H](N(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000983723037 683180150 /nfs/dbraw/zinc/18/01/50/683180150.db2.gz GZLVBVQIZBYYGD-ZDUSSCGKSA-N -1 1 348.447 2.087 20 0 EEADMM CC1(C(=O)N[C@@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)CCC1 ZINC001025903763 683620007 /nfs/dbraw/zinc/62/00/07/683620007.db2.gz KFYDAYIGSBBRBM-UONOGXRCSA-N -1 1 343.427 2.135 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)[C@H](OC2CCCC2)c2ccccc2)n[nH]1 ZINC000153039762 683704209 /nfs/dbraw/zinc/70/42/09/683704209.db2.gz WAWUVOJGKIBGNY-MRXNPFEDSA-N -1 1 342.399 2.180 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937471596 683743073 /nfs/dbraw/zinc/74/30/73/683743073.db2.gz DNWFGEUOXVQSRY-QLFBSQMISA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=S)NC1CC1 ZINC000016317212 683911383 /nfs/dbraw/zinc/91/13/83/683911383.db2.gz JILZHDKSRDWQNP-UHFFFAOYSA-N -1 1 332.454 2.390 20 0 EEADMM CC[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974055102 684265547 /nfs/dbraw/zinc/26/55/47/684265547.db2.gz ABAWMTREYOBYCZ-WZFJYNIESA-N -1 1 345.443 2.381 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H]1Cn1cncn1 ZINC000896326898 684944597 /nfs/dbraw/zinc/94/45/97/684944597.db2.gz VJBVKABMULNSRQ-ZDUSSCGKSA-N -1 1 338.367 2.147 20 0 EEADMM O=C([O-])C1(NC(=O)c2cc(Br)cc3nc[nH]c32)CCC1 ZINC000909335424 685023824 /nfs/dbraw/zinc/02/38/24/685023824.db2.gz MSGPEEPLGMBGBD-UHFFFAOYSA-N -1 1 338.161 2.063 20 0 EEADMM C[C@]1(C(=O)NCC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC001059518270 686291925 /nfs/dbraw/zinc/29/19/25/686291925.db2.gz JRTRQWNTWFBRCP-KUHUBIRLSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1)c1ncccc1[O-] ZINC000975219690 686313445 /nfs/dbraw/zinc/31/34/45/686313445.db2.gz KUAIXAGGSAKWRO-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM CC1(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC000975881299 686962956 /nfs/dbraw/zinc/96/29/56/686962956.db2.gz DBKJOBZPHSEWBG-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000985533577 687107622 /nfs/dbraw/zinc/10/76/22/687107622.db2.gz RNUXIFXHEOZOFD-UHFFFAOYSA-N -1 1 349.479 2.294 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N2CCC(N(C)Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000985760948 687638615 /nfs/dbraw/zinc/63/86/15/687638615.db2.gz CKGMYHXAOGVJPJ-HDJSIYSDSA-N -1 1 349.479 2.150 20 0 EEADMM C[C@]1(C(=O)N2CC[C@H](CCNC(=O)c3ncccc3[O-])C2)C=CCC1 ZINC001060139042 694130142 /nfs/dbraw/zinc/13/01/42/694130142.db2.gz UEQHYWIUJUXZDH-LIRRHRJNSA-N -1 1 343.427 2.112 20 0 EEADMM CC[C@H](C)C(=O)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986903559 689047905 /nfs/dbraw/zinc/04/79/05/689047905.db2.gz YQCSUYNCKBZYPV-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM COC(=O)c1cc(CN[C@H](CC(=O)[O-])c2ccccc2F)cn1C ZINC000904046107 694274103 /nfs/dbraw/zinc/27/41/03/694274103.db2.gz VDJKAXGDJIGHSX-CQSZACIVSA-N -1 1 334.347 2.256 20 0 EEADMM CC1(C(=O)N2CCCCC[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000987098519 689353128 /nfs/dbraw/zinc/35/31/28/689353128.db2.gz GEAOUPOQOGTVEJ-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1cccc([C@H](NCc2cc(Br)nn2C)C(=O)[O-])c1 ZINC000904264795 694340130 /nfs/dbraw/zinc/34/01/30/694340130.db2.gz QMRNAXSUFXBYKX-ZDUSSCGKSA-N -1 1 338.205 2.407 20 0 EEADMM CN(C)c1ccnc(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000905129913 694545378 /nfs/dbraw/zinc/54/53/78/694545378.db2.gz ZPMFYKUSQPGSSV-LJQANCHMSA-N -1 1 341.411 2.196 20 0 EEADMM CN(C[C@H]1CCN1C(=O)C(F)=C1CCCC1)C(=O)c1ncccc1[O-] ZINC000977619414 692852797 /nfs/dbraw/zinc/85/27/97/692852797.db2.gz QMHAPQNFMKVAKB-CYBMUJFWSA-N -1 1 347.390 2.258 20 0 EEADMM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CN1CCCC1 ZINC000909379591 692994766 /nfs/dbraw/zinc/99/47/66/692994766.db2.gz NCFKPOQSWYNYHT-CYBMUJFWSA-N -1 1 345.226 2.201 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000898585491 693384594 /nfs/dbraw/zinc/38/45/94/693384594.db2.gz ZQYVMYSTFHZRMH-HZSPNIEDSA-N -1 1 327.380 2.484 20 0 EEADMM C[C@H](NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)c1cc(=O)[nH][n-]1 ZINC000898877156 693500706 /nfs/dbraw/zinc/50/07/06/693500706.db2.gz JFOXENPVDBYZJA-NEPJUHHUSA-N -1 1 329.404 2.238 20 0 EEADMM CC1(CC(=O)N2CCCC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000943203925 1192114028 /nfs/dbraw/zinc/11/40/28/1192114028.db2.gz OICUNOZPWMHBPB-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)(C)C(=O)N1CCC2(C1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000944378125 1193048304 /nfs/dbraw/zinc/04/83/04/1193048304.db2.gz QXSJTIXVFNGMLT-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(NCC[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)C1CCCCCCC1 ZINC001481439161 1181345252 /nfs/dbraw/zinc/34/52/52/1181345252.db2.gz GEAVJPYEQJGQMJ-AWEZNQCLSA-N -1 1 349.479 2.199 20 0 EEADMM CC[C@@H](C)N1CC[C@]2(CCCN(C(=O)c3ncccc3[O-])CC2)C1=O ZINC001268842426 1183760536 /nfs/dbraw/zinc/76/05/36/1183760536.db2.gz LCPCLYGGUBEZEX-AUUYWEPGSA-N -1 1 345.443 2.431 20 0 EEADMM CC[C@@H](C)N1CC2(CCC1=O)CCN(C(=O)c1ncccc1[O-])CC2 ZINC001268842405 1183761150 /nfs/dbraw/zinc/76/11/50/1183761150.db2.gz KMKBSFWIDBYNFD-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ncccc1[O-] ZINC001268845855 1183762775 /nfs/dbraw/zinc/76/27/75/1183762775.db2.gz VYMNIQGPUGEJDX-GOSISDBHSA-N -1 1 331.416 2.040 20 0 EEADMM NC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccc3cccnc3c1[O-])C2 ZINC001270019996 1184790807 /nfs/dbraw/zinc/79/08/07/1184790807.db2.gz PIPAMMCATWTBPG-LIRRHRJNSA-N -1 1 339.395 2.058 20 0 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ZINC001609292083 1351923115 /nfs/dbraw/zinc/92/31/15/1351923115.db2.gz QMXSJBQIHJVKEL-UHFFFAOYSA-N -1 1 344.762 2.314 20 0 EEADMM CNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC001609292009 1351923141 /nfs/dbraw/zinc/92/31/41/1351923141.db2.gz MTUPVWQBGGRCKI-UHFFFAOYSA-N -1 1 344.400 2.018 20 0 EEADMM Cc1ccn(CN2CCCC[C@@H]2CC(C)C)c(=O)c1-c1nnn[n-]1 ZINC001609438045 1351977270 /nfs/dbraw/zinc/97/72/70/1351977270.db2.gz NNOQJVZNXFCEQR-CQSZACIVSA-N -1 1 330.436 2.195 20 0 EEADMM Cc1nsc(NCC[C@@H]2COc3ccccc3O2)c1-c1nn[n-]n1 ZINC001609466121 1351987539 /nfs/dbraw/zinc/98/75/39/1351987539.db2.gz DLWXXSGPVHILQQ-SNVBAGLBSA-N -1 1 344.400 2.274 20 0 EEADMM Cc1nsc(NCc2ccc(C[S@](C)=O)cc2)c1-c1nn[n-]n1 ZINC001609466406 1351987770 /nfs/dbraw/zinc/98/77/70/1351987770.db2.gz TZARBRGQWGSXGW-QHCPKHFHSA-N -1 1 348.457 2.122 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC001609465857 1351988078 /nfs/dbraw/zinc/98/80/78/1351988078.db2.gz TULGBHQYIRZGFV-WDEREUQCSA-N -1 1 326.385 2.374 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC001609465857 1351988079 /nfs/dbraw/zinc/98/80/79/1351988079.db2.gz TULGBHQYIRZGFV-WDEREUQCSA-N -1 1 326.385 2.374 20 0 EEADMM Cc1nsc(NC(=O)CSc2ccccc2)c1-c1nnn[n-]1 ZINC001609465365 1351988117 /nfs/dbraw/zinc/98/81/17/1351988117.db2.gz RRPNNJAXNTYMNY-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM Cc1nsc(NC(=O)CSc2ccccc2)c1-c1nn[n-]n1 ZINC001609465365 1351988120 /nfs/dbraw/zinc/98/81/20/1351988120.db2.gz RRPNNJAXNTYMNY-UHFFFAOYSA-N -1 1 332.414 2.362 20 0 EEADMM Clc1nsc(N2CCOC[C@@H](C3CCC3)C2)c1-c1nnn[n-]1 ZINC001609474621 1351990883 /nfs/dbraw/zinc/99/08/83/1351990883.db2.gz JUQIHUCHIKNGFQ-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CCOC[C@@H](C3CCC3)C2)c1-c1nn[n-]n1 ZINC001609474621 1351990885 /nfs/dbraw/zinc/99/08/85/1351990885.db2.gz JUQIHUCHIKNGFQ-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Clc1ccc(Oc2cccc(-n3ccnn3)c2)nc1-c1nnn[n-]1 ZINC001609473609 1351990920 /nfs/dbraw/zinc/99/09/20/1351990920.db2.gz YNWXFKZNGFLGDT-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM Clc1ccc(Oc2cccc(-n3ccnn3)c2)nc1-c1nn[n-]n1 ZINC001609473609 1351990923 /nfs/dbraw/zinc/99/09/23/1351990923.db2.gz YNWXFKZNGFLGDT-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM Clc1nc(N2CC[C@H](C3CCOCC3)C2)sc1-c1nnn[n-]1 ZINC001609474859 1351991535 /nfs/dbraw/zinc/99/15/35/1351991535.db2.gz WSLNPYNXMOKKDW-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nc(N2CC[C@H](C3CCOCC3)C2)sc1-c1nn[n-]n1 ZINC001609474859 1351991538 /nfs/dbraw/zinc/99/15/38/1351991538.db2.gz WSLNPYNXMOKKDW-VIFPVBQESA-N -1 1 340.840 2.230 20 0 EEADMM Cn1cc([C@H](NCc2ccc(-c3nnn[n-]3)o2)c2ccccc2)cn1 ZINC001609478667 1351992348 /nfs/dbraw/zinc/99/23/48/1351992348.db2.gz MUXHJWHDWMXIAM-MRXNPFEDSA-N -1 1 335.371 2.072 20 0 EEADMM Cn1cc([C@H](NCc2ccc(-c3nn[n-]n3)o2)c2ccccc2)cn1 ZINC001609478667 1351992352 /nfs/dbraw/zinc/99/23/52/1351992352.db2.gz MUXHJWHDWMXIAM-MRXNPFEDSA-N -1 1 335.371 2.072 20 0 EEADMM Fc1cccc(F)c1C1(CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001609491748 1351997812 /nfs/dbraw/zinc/99/78/12/1351997812.db2.gz CVVGXCMJYFVMBG-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM Fc1cccc(F)c1C1(CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001609491748 1351997814 /nfs/dbraw/zinc/99/78/14/1351997814.db2.gz CVVGXCMJYFVMBG-UHFFFAOYSA-N -1 1 343.341 2.469 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1cccc(-c2nnn[n-]2)n1 ZINC001609545638 1352011913 /nfs/dbraw/zinc/01/19/13/1352011913.db2.gz JVGRAPQZFATVPJ-UHFFFAOYSA-N -1 1 338.415 2.064 20 0 EEADMM O=C(NCC1C2CC3CC(C2)CC1C3)c1cccc(-c2nn[n-]n2)n1 ZINC001609545638 1352011914 /nfs/dbraw/zinc/01/19/14/1352011914.db2.gz JVGRAPQZFATVPJ-UHFFFAOYSA-N -1 1 338.415 2.064 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609545419 1352011948 /nfs/dbraw/zinc/01/19/48/1352011948.db2.gz BPOLHKQRXVUSSW-NEPJUHHUSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609545419 1352011949 /nfs/dbraw/zinc/01/19/49/1352011949.db2.gz BPOLHKQRXVUSSW-NEPJUHHUSA-N -1 1 327.392 2.210 20 0 EEADMM O=C(N[C@H]1CC2CCC1CC2)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001609540612 1352010034 /nfs/dbraw/zinc/01/00/34/1352010034.db2.gz HIEODTIEJUYZBA-KWPJZBAWSA-N -1 1 332.795 2.224 20 0 EEADMM O=C(NCc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609555589 1352015746 /nfs/dbraw/zinc/01/57/46/1352015746.db2.gz HNDVUAHKCKJBBJ-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM O=C(NCc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001609555589 1352015748 /nfs/dbraw/zinc/01/57/48/1352015748.db2.gz HNDVUAHKCKJBBJ-UHFFFAOYSA-N -1 1 346.350 2.452 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001609611953 1352038311 /nfs/dbraw/zinc/03/83/11/1352038311.db2.gz XIOLJEHJRSNRRA-VIFPVBQESA-N -1 1 328.763 2.200 20 0 EEADMM Oc1cccc2c1C[C@@H](Nc1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001609611953 1352038313 /nfs/dbraw/zinc/03/83/13/1352038313.db2.gz XIOLJEHJRSNRRA-VIFPVBQESA-N -1 1 328.763 2.200 20 0 EEADMM CCO[C@H]1CCCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001338180603 1336810819 /nfs/dbraw/zinc/81/08/19/1336810819.db2.gz FNWJXEKRMUBGRL-JTQLQIEISA-N -1 1 337.811 2.241 20 0 EEADMM COC(=O)C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC001342184978 1337310727 /nfs/dbraw/zinc/31/07/27/1337310727.db2.gz QPAAKHHHFHMXGL-MRXNPFEDSA-N -1 1 341.363 2.304 20 0 EEADMM CC[C@@H](Sc1ccccc1)C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001609938931 1352124793 /nfs/dbraw/zinc/12/47/93/1352124793.db2.gz KJWAJQYNECFLRL-UKRRQHHQSA-N -1 1 336.457 2.032 20 0 EEADMM C[C@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1Cc1cccs1 ZINC001343602913 1337340396 /nfs/dbraw/zinc/34/03/96/1337340396.db2.gz PAPYNZSUMUGUSG-JTQLQIEISA-N -1 1 330.417 2.472 20 0 EEADMM CCC1(CC)[C@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])n2)C[C@@H]1OC ZINC001609942188 1352125437 /nfs/dbraw/zinc/12/54/37/1352125437.db2.gz UUUKATFUPANASZ-KGLIPLIRSA-N -1 1 349.431 2.244 20 0 EEADMM CC1(C)CCC(O)(CNC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC001347865900 1337524101 /nfs/dbraw/zinc/52/41/01/1337524101.db2.gz QAAQLKIWHHMPTI-UHFFFAOYSA-N -1 1 334.445 2.079 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](CCCO)c1ccccc1 ZINC001351657459 1337834739 /nfs/dbraw/zinc/83/47/39/1337834739.db2.gz PRPPQHRYTVOYRS-LBPRGKRZSA-N -1 1 333.413 2.023 20 0 EEADMM CN(Cc1ccc(S(C)(=O)=O)s1)C1(C(=O)[O-])CCCCC1 ZINC001610123964 1352166979 /nfs/dbraw/zinc/16/69/79/1352166979.db2.gz RJXDVPCDOJYKGH-UHFFFAOYSA-N -1 1 331.459 2.371 20 0 EEADMM CN(Cc1cncnc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001610126919 1352168317 /nfs/dbraw/zinc/16/83/17/1352168317.db2.gz RCUGPNKDKBLAFT-ZDUSSCGKSA-N -1 1 336.189 2.497 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3ccco3)s2)C[C@@H](C(=O)[O-])C1 ZINC001610137269 1352170824 /nfs/dbraw/zinc/17/08/24/1352170824.db2.gz UFVZVWZLFFSKKC-NSHDSACASA-N -1 1 334.397 2.097 20 0 EEADMM COC(=O)[C@H]1CSCCN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)C1 ZINC001610179256 1352179764 /nfs/dbraw/zinc/17/97/64/1352179764.db2.gz OIZVBTGENTVJGA-WDEREUQCSA-N -1 1 327.402 2.185 20 0 EEADMM COC(=O)c1cc(CN(C)[C@@H](CO)c2ccccc2)cc(C(=O)[O-])c1 ZINC001610197389 1352183323 /nfs/dbraw/zinc/18/33/23/1352183323.db2.gz OVDRHIAZVIVFAS-KRWDZBQOSA-N -1 1 343.379 2.337 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C[S@](C)=O)c2ccccc2)n1C ZINC001610409133 1352218542 /nfs/dbraw/zinc/21/85/42/1352218542.db2.gz NMJYDAFXZAELDO-HJPURHCSSA-N -1 1 334.441 2.241 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1)C(F)(F)F ZINC000849374466 1339155387 /nfs/dbraw/zinc/15/53/87/1339155387.db2.gz BTHBNYRKFUWKSH-VXGBXAGGSA-N -1 1 347.399 2.078 20 0 EEADMM Cc1nc([C@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)n[nH]1 ZINC001610555467 1352244018 /nfs/dbraw/zinc/24/40/18/1352244018.db2.gz ZVCPPOOQHFCTSN-ZETCQYMHSA-N -1 1 327.797 2.305 20 0 EEADMM Cc1nnc([C@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)[nH]1 ZINC001610555467 1352244019 /nfs/dbraw/zinc/24/40/19/1352244019.db2.gz ZVCPPOOQHFCTSN-ZETCQYMHSA-N -1 1 327.797 2.305 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1ccc2c(c1)C(=O)OC2)C1CCCC1 ZINC000849309395 1339152332 /nfs/dbraw/zinc/15/23/32/1339152332.db2.gz GUEDVTCGGJNUEQ-OAHLLOKOSA-N -1 1 339.413 2.304 20 0 EEADMM O=C([O-])[C@H](NCC(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC001610665128 1352258373 /nfs/dbraw/zinc/25/83/73/1352258373.db2.gz BSCRTUZDFHHECV-QGZVFWFLSA-N -1 1 348.418 2.207 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NCC(=O)NCc1ccccc1 ZINC001610666693 1352258933 /nfs/dbraw/zinc/25/89/33/1352258933.db2.gz CBBYAVMZCOHITO-INIZCTEOSA-N -1 1 346.814 2.242 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC001610762672 1352270382 /nfs/dbraw/zinc/27/03/82/1352270382.db2.gz FIMDAKXATRRNQL-UHFFFAOYSA-N -1 1 334.460 2.114 20 0 EEADMM CC(C)CC(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001431144398 1340473037 /nfs/dbraw/zinc/47/30/37/1340473037.db2.gz CUCWGLICKXWMNV-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(CCCc1nccs1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001617743522 1352344435 /nfs/dbraw/zinc/34/44/35/1352344435.db2.gz FZPPEFCEWTUFFH-UHFFFAOYSA-N -1 1 344.400 2.197 20 0 EEADMM COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC000018344456 1352358197 /nfs/dbraw/zinc/35/81/97/1352358197.db2.gz IQLZLOODAHMDNB-UHFFFAOYSA-N -1 1 347.279 2.054 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)COc2ccccc2F)c(=O)[n-]1 ZINC001433666822 1341653590 /nfs/dbraw/zinc/65/35/90/1341653590.db2.gz PLLRXTZYBPVNRF-SECBINFHSA-N -1 1 337.376 2.241 20 0 EEADMM O=C(Nc1cnccc1C(F)(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC001434757756 1341935195 /nfs/dbraw/zinc/93/51/95/1341935195.db2.gz YIROTEFSYPRTRC-UHFFFAOYSA-N -1 1 341.297 2.025 20 0 EEADMM CC1(C)[C@H](c2cccc(F)c2)CCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001573655600 1343649438 /nfs/dbraw/zinc/64/94/38/1343649438.db2.gz IIHGKXWAFBDBSP-LSDHHAIUSA-N -1 1 334.391 2.079 20 0 EEADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577387537 1344138006 /nfs/dbraw/zinc/13/80/06/1344138006.db2.gz ILYJADHMYNOJLZ-GWCFXTLKSA-N -1 1 344.419 2.317 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577424882 1344147412 /nfs/dbraw/zinc/14/74/12/1344147412.db2.gz KIXLIXFAFRIDQU-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577424882 1344147415 /nfs/dbraw/zinc/14/74/15/1344147415.db2.gz KIXLIXFAFRIDQU-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM COC(=O)c1ccccc1CSc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001579488978 1344389122 /nfs/dbraw/zinc/38/91/22/1344389122.db2.gz XJSUWRYWYCBSLG-UHFFFAOYSA-N -1 1 342.384 2.044 20 0 EEADMM COC(=O)c1ccccc1CSc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001579488978 1344389126 /nfs/dbraw/zinc/38/91/26/1344389126.db2.gz XJSUWRYWYCBSLG-UHFFFAOYSA-N -1 1 342.384 2.044 20 0 EEADMM COc1ccc(C)cc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001579993499 1344445225 /nfs/dbraw/zinc/44/52/25/1344445225.db2.gz YHYXAONKSZJIFZ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(C)cc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001579993499 1344445230 /nfs/dbraw/zinc/44/52/30/1344445230.db2.gz YHYXAONKSZJIFZ-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ncc(NC(=O)CCc2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC001580133175 1344478063 /nfs/dbraw/zinc/47/80/63/1344478063.db2.gz ISZOFFONTMGWSQ-UHFFFAOYSA-N -1 1 338.371 2.150 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133089 1344478315 /nfs/dbraw/zinc/47/83/15/1344478315.db2.gz GPGOKAUEAYQMDL-GMTAPVOTSA-N -1 1 330.392 2.281 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cn1 ZINC001580310669 1344509264 /nfs/dbraw/zinc/50/92/64/1344509264.db2.gz FIAPZCXTQJJDDL-SECBINFHSA-N -1 1 344.762 2.157 20 0 EEADMM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cn1 ZINC001580310669 1344509265 /nfs/dbraw/zinc/50/92/65/1344509265.db2.gz FIAPZCXTQJJDDL-SECBINFHSA-N -1 1 344.762 2.157 20 0 EEADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cncc(F)c1 ZINC001580435352 1344519988 /nfs/dbraw/zinc/51/99/88/1344519988.db2.gz OBMHIZHGXQPVKV-QMMMGPOBSA-N -1 1 347.379 2.023 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1csc(-c3nn[n-]n3)c1)CO2 ZINC001581214206 1344599089 /nfs/dbraw/zinc/59/90/89/1344599089.db2.gz AAZMLHIDWOGXRG-NSHDSACASA-N -1 1 327.369 2.100 20 0 EEADMM Cc1cccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581241966 1344605684 /nfs/dbraw/zinc/60/56/84/1344605684.db2.gz RVYSWSTVYPUYPG-UHFFFAOYSA-N -1 1 328.401 2.236 20 0 EEADMM Clc1nsc(NCc2nccnc2Cl)c1-c1nnn[n-]1 ZINC001581746321 1344660633 /nfs/dbraw/zinc/66/06/33/1344660633.db2.gz BMFYQVJHSHHVAV-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM Clc1nsc(NCc2nccnc2Cl)c1-c1nn[n-]n1 ZINC001581746321 1344660635 /nfs/dbraw/zinc/66/06/35/1344660635.db2.gz BMFYQVJHSHHVAV-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM Cc1occc1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001581733634 1344659102 /nfs/dbraw/zinc/65/91/02/1344659102.db2.gz JCAIIWCUOWTJRG-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1occc1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001581733634 1344659106 /nfs/dbraw/zinc/65/91/06/1344659106.db2.gz JCAIIWCUOWTJRG-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM NC(=O)c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC001581905185 1344686558 /nfs/dbraw/zinc/68/65/58/1344686558.db2.gz WBRWSVUAQRIJTE-UHFFFAOYSA-N -1 1 340.727 2.007 20 0 EEADMM O=C(NCCc1ccccc1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582526863 1344758366 /nfs/dbraw/zinc/75/83/66/1344758366.db2.gz AICNDEHTUNUUOV-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1ccccc1F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582526863 1344758371 /nfs/dbraw/zinc/75/83/71/1344758371.db2.gz AICNDEHTUNUUOV-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1Cc2cc(F)c(F)cc2C1 ZINC001582745294 1344788645 /nfs/dbraw/zinc/78/86/45/1344788645.db2.gz XWPLOGHWHXZESI-UHFFFAOYSA-N -1 1 333.323 2.362 20 0 EEADMM CC(=O)CCCCCCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001588791783 1348937049 /nfs/dbraw/zinc/93/70/49/1348937049.db2.gz AALWSRDLGQOJOF-UHFFFAOYSA-N -1 1 337.405 2.296 20 0 EEADMM CC(=O)CCCCCCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001588791783 1348937051 /nfs/dbraw/zinc/93/70/51/1348937051.db2.gz AALWSRDLGQOJOF-UHFFFAOYSA-N -1 1 337.405 2.296 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589098630 1348958648 /nfs/dbraw/zinc/95/86/48/1348958648.db2.gz CLJMUFDKIYIWLA-ZJUUUORDSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589098630 1348958649 /nfs/dbraw/zinc/95/86/49/1348958649.db2.gz CLJMUFDKIYIWLA-ZJUUUORDSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001589119217 1348962139 /nfs/dbraw/zinc/96/21/39/1348962139.db2.gz SGTJPNIXCJFPGF-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001589119217 1348962143 /nfs/dbraw/zinc/96/21/43/1348962143.db2.gz SGTJPNIXCJFPGF-JTQLQIEISA-N -1 1 342.325 2.359 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)c2cccc(-c3nnn[n-]3)n2)s1 ZINC001589233873 1348973807 /nfs/dbraw/zinc/97/38/07/1348973807.db2.gz JOIMFKDRPBQSCQ-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)c2cccc(-c3nn[n-]n3)n2)s1 ZINC001589233873 1348973809 /nfs/dbraw/zinc/97/38/09/1348973809.db2.gz JOIMFKDRPBQSCQ-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)n1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589259481 1348976001 /nfs/dbraw/zinc/97/60/01/1348976001.db2.gz XANVMHLWQSZDOS-UHFFFAOYSA-N -1 1 346.420 2.201 20 0 EEADMM CC(C)[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001589417489 1348988621 /nfs/dbraw/zinc/98/86/21/1348988621.db2.gz GUNGYBRFZGYDHB-INIZCTEOSA-N -1 1 336.399 2.318 20 0 EEADMM CC(C)[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001589417489 1348988623 /nfs/dbraw/zinc/98/86/23/1348988623.db2.gz GUNGYBRFZGYDHB-INIZCTEOSA-N -1 1 336.399 2.318 20 0 EEADMM CC(C)CC[C@H]1CCCCN1Cn1cccc(-c2nn[n-]n2)c1=O ZINC001589586008 1349007353 /nfs/dbraw/zinc/00/73/53/1349007353.db2.gz HHBZTGDNFKHVMR-CQSZACIVSA-N -1 1 330.436 2.277 20 0 EEADMM CC(C)CC[C@H]1CCCCN1Cn1cccc(-c2nnn[n-]2)c1=O ZINC001589586008 1349007357 /nfs/dbraw/zinc/00/73/57/1349007357.db2.gz HHBZTGDNFKHVMR-CQSZACIVSA-N -1 1 330.436 2.277 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1coc(-c3nnn[n-]3)c1)CCC2 ZINC001589781583 1349040962 /nfs/dbraw/zinc/04/09/62/1349040962.db2.gz ARHXFJXSWHBMNH-LBPRGKRZSA-N -1 1 341.375 2.045 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1coc(-c3nn[n-]n3)c1)CCC2 ZINC001589781583 1349040968 /nfs/dbraw/zinc/04/09/68/1349040968.db2.gz ARHXFJXSWHBMNH-LBPRGKRZSA-N -1 1 341.375 2.045 20 0 EEADMM C[C@H](C1CC1)n1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC001589786691 1349041747 /nfs/dbraw/zinc/04/17/47/1349041747.db2.gz JURLDLURHFAXSL-MRVPVSSYSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@H](C1CC1)n1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC001589786691 1349041752 /nfs/dbraw/zinc/04/17/52/1349041752.db2.gz JURLDLURHFAXSL-MRVPVSSYSA-N -1 1 329.389 2.348 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589801793 1349046180 /nfs/dbraw/zinc/04/61/80/1349046180.db2.gz ADIZIYLHIUFDKI-RQJHMYQMSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@H](C[C@H](O)c1ccco1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589801793 1349046183 /nfs/dbraw/zinc/04/61/83/1349046183.db2.gz ADIZIYLHIUFDKI-RQJHMYQMSA-N -1 1 340.796 2.494 20 0 EEADMM CC(F)(F)CCCn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001589910605 1349060566 /nfs/dbraw/zinc/06/05/66/1349060566.db2.gz RTZFWFHIXIBIIE-UHFFFAOYSA-N -1 1 348.151 2.226 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC001589944566 1349072380 /nfs/dbraw/zinc/07/23/80/1349072380.db2.gz NSEQKRJZLUJNJV-HFBDOXOYSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC001589944566 1349072386 /nfs/dbraw/zinc/07/23/86/1349072386.db2.gz NSEQKRJZLUJNJV-HFBDOXOYSA-N -1 1 339.355 2.143 20 0 EEADMM C[C@H](OCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001590017190 1349110021 /nfs/dbraw/zinc/11/00/21/1349110021.db2.gz MEIGFQNGLMYNRI-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](OCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001590017190 1349110027 /nfs/dbraw/zinc/11/00/27/1349110027.db2.gz MEIGFQNGLMYNRI-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590049762 1349130122 /nfs/dbraw/zinc/13/01/22/1349130122.db2.gz HJILWCSMNRZGQD-SNVBAGLBSA-N -1 1 337.387 2.437 20 0 EEADMM C[C@H](c1cccc(O)c1)N(C)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590049762 1349130124 /nfs/dbraw/zinc/13/01/24/1349130124.db2.gz HJILWCSMNRZGQD-SNVBAGLBSA-N -1 1 337.387 2.437 20 0 EEADMM CC1(C)CN(C(=O)c2coc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC001590103890 1349157543 /nfs/dbraw/zinc/15/75/43/1349157543.db2.gz LAEDWLVSBPDZSU-UHFFFAOYSA-N -1 1 325.328 2.278 20 0 EEADMM CC1(C)CN(C(=O)c2coc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC001590103890 1349157546 /nfs/dbraw/zinc/15/75/46/1349157546.db2.gz LAEDWLVSBPDZSU-UHFFFAOYSA-N -1 1 325.328 2.278 20 0 EEADMM CC1(C)CN(Cc2nc(-c3nnn[n-]3)cs2)[C@H]1c1cccnc1 ZINC001590107448 1349158548 /nfs/dbraw/zinc/15/85/48/1349158548.db2.gz YELUDMKQJPJVOF-ZDUSSCGKSA-N -1 1 327.417 2.301 20 0 EEADMM CC1(C)CN(Cc2nc(-c3nn[n-]n3)cs2)[C@H]1c1cccnc1 ZINC001590107448 1349158551 /nfs/dbraw/zinc/15/85/51/1349158551.db2.gz YELUDMKQJPJVOF-ZDUSSCGKSA-N -1 1 327.417 2.301 20 0 EEADMM C[C@H]1CC(=O)N(C)c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001590180446 1349184345 /nfs/dbraw/zinc/18/43/45/1349184345.db2.gz GHENVPUDSDQPKN-JTQLQIEISA-N -1 1 335.371 2.475 20 0 EEADMM C[C@H]1CC(=O)N(C)c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001590180446 1349184348 /nfs/dbraw/zinc/18/43/48/1349184348.db2.gz GHENVPUDSDQPKN-JTQLQIEISA-N -1 1 335.371 2.475 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)C1 ZINC001590225138 1349210139 /nfs/dbraw/zinc/21/01/39/1349210139.db2.gz YHYKYOIYSUZBQD-NWDGAFQWSA-N -1 1 346.460 2.013 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590254953 1349230827 /nfs/dbraw/zinc/23/08/27/1349230827.db2.gz YHLAKLGCHNRNFN-NWDGAFQWSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590254953 1349230834 /nfs/dbraw/zinc/23/08/34/1349230834.db2.gz YHLAKLGCHNRNFN-NWDGAFQWSA-N -1 1 346.460 2.391 20 0 EEADMM C/C=C(\C)C(=O)N[C@@H](C)CCCNc1snc(C)c1-c1nn[n-]n1 ZINC001590356587 1349283353 /nfs/dbraw/zinc/28/33/53/1349283353.db2.gz UZESGUBFCKCFQZ-CYNRKNSPSA-N -1 1 349.464 2.295 20 0 EEADMM CCC(C)(C)OCC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590378996 1349292644 /nfs/dbraw/zinc/29/26/44/1349292644.db2.gz MDYJLFWYEZOCJY-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CCC(C)(C)N(C)C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590377560 1349293397 /nfs/dbraw/zinc/29/33/97/1349293397.db2.gz NNQPACKIVYSDAD-UHFFFAOYSA-N -1 1 338.362 2.475 20 0 EEADMM CCC(C)(C)N(C)C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590377560 1349293402 /nfs/dbraw/zinc/29/34/02/1349293402.db2.gz NNQPACKIVYSDAD-UHFFFAOYSA-N -1 1 338.362 2.475 20 0 EEADMM CC[C@H](C)c1ccc(OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590417206 1349313936 /nfs/dbraw/zinc/31/39/36/1349313936.db2.gz YDJQQZZYYMLWMY-QWRGUYRKSA-N -1 1 341.375 2.138 20 0 EEADMM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001590431834 1349322373 /nfs/dbraw/zinc/32/23/73/1349322373.db2.gz TYIGPXRYZMFPRM-BXUZGUMPSA-N -1 1 333.392 2.173 20 0 EEADMM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001590431834 1349322380 /nfs/dbraw/zinc/32/23/80/1349322380.db2.gz TYIGPXRYZMFPRM-BXUZGUMPSA-N -1 1 333.392 2.173 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cc(F)ccc1OC ZINC001590460320 1349337005 /nfs/dbraw/zinc/33/70/05/1349337005.db2.gz SURKIURUOZHODS-LLVKDONJSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cc(F)ccc1OC ZINC001590460320 1349337016 /nfs/dbraw/zinc/33/70/16/1349337016.db2.gz SURKIURUOZHODS-LLVKDONJSA-N -1 1 345.334 2.489 20 0 EEADMM CC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1cc(F)ccc1OC ZINC001590473031 1349345892 /nfs/dbraw/zinc/34/58/92/1349345892.db2.gz KFWOOXLTLBZHMU-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1cc(F)ccc1OC ZINC001590473031 1349345896 /nfs/dbraw/zinc/34/58/96/1349345896.db2.gz KFWOOXLTLBZHMU-NSHDSACASA-N -1 1 329.339 2.368 20 0 EEADMM CCCN(C(=O)c1cccc(C)n1)c1snc(C)c1-c1nnn[n-]1 ZINC001590617460 1349376886 /nfs/dbraw/zinc/37/68/86/1349376886.db2.gz LRTMIIIQUAOPAF-UHFFFAOYSA-N -1 1 343.416 2.392 20 0 EEADMM CCCN(C(=O)c1cccc(C)n1)c1snc(C)c1-c1nn[n-]n1 ZINC001590617460 1349376892 /nfs/dbraw/zinc/37/68/92/1349376892.db2.gz LRTMIIIQUAOPAF-UHFFFAOYSA-N -1 1 343.416 2.392 20 0 EEADMM CCN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001590674997 1349386228 /nfs/dbraw/zinc/38/62/28/1349386228.db2.gz DJRWVUMVXUJIQS-UHFFFAOYSA-N -1 1 330.298 2.207 20 0 EEADMM CCN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001590674997 1349386230 /nfs/dbraw/zinc/38/62/30/1349386230.db2.gz DJRWVUMVXUJIQS-UHFFFAOYSA-N -1 1 330.298 2.207 20 0 EEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590948217 1349421158 /nfs/dbraw/zinc/42/11/58/1349421158.db2.gz KWSDLOFHUPNUSY-UHFFFAOYSA-N -1 1 348.370 2.192 20 0 EEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590948217 1349421170 /nfs/dbraw/zinc/42/11/70/1349421170.db2.gz KWSDLOFHUPNUSY-UHFFFAOYSA-N -1 1 348.370 2.192 20 0 EEADMM CN(C)c1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001591034600 1349433590 /nfs/dbraw/zinc/43/35/90/1349433590.db2.gz AVFUJLNYWJGQBN-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(C)c1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591034600 1349433594 /nfs/dbraw/zinc/43/35/94/1349433594.db2.gz AVFUJLNYWJGQBN-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CN(c1ccccc1)C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001591157098 1349440973 /nfs/dbraw/zinc/44/09/73/1349440973.db2.gz COYSYFCUIMAXJD-UHFFFAOYSA-N -1 1 335.415 2.367 20 0 EEADMM CN(c1ccccc1)C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001591157098 1349440977 /nfs/dbraw/zinc/44/09/77/1349440977.db2.gz COYSYFCUIMAXJD-UHFFFAOYSA-N -1 1 335.415 2.367 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001591382615 1349475691 /nfs/dbraw/zinc/47/56/91/1349475691.db2.gz KRVOFCPLOJCBFV-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001591382615 1349475696 /nfs/dbraw/zinc/47/56/96/1349475696.db2.gz KRVOFCPLOJCBFV-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM COc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cc1 ZINC001591619302 1349516095 /nfs/dbraw/zinc/51/60/95/1349516095.db2.gz JKNVYZSRRYHBFJ-UHFFFAOYSA-N -1 1 331.719 2.143 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591654452 1349526073 /nfs/dbraw/zinc/52/60/73/1349526073.db2.gz PESRIUHIJALUKB-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM COc1ccccc1[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591654452 1349526078 /nfs/dbraw/zinc/52/60/78/1349526078.db2.gz PESRIUHIJALUKB-JTQLQIEISA-N -1 1 325.328 2.188 20 0 EEADMM C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001591729983 1349535742 /nfs/dbraw/zinc/53/57/42/1349535742.db2.gz PKQKHQUNSLWVFY-SSDOTTSWSA-N -1 1 342.325 2.445 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c1-c1nn[n-]n1 ZINC001592197108 1349603629 /nfs/dbraw/zinc/60/36/29/1349603629.db2.gz AGPRBHCKBVKMEV-UHFFFAOYSA-N -1 1 336.359 2.249 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3c([nH]2)c(F)ccc3C)c1-c1nn[n-]n1 ZINC001592332518 1349621776 /nfs/dbraw/zinc/62/17/76/1349621776.db2.gz INDVPRMUWNOXHD-UHFFFAOYSA-N -1 1 340.322 2.079 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C(C)(C)C)oc2C)c1-c1nnn[n-]1 ZINC001592432968 1349631854 /nfs/dbraw/zinc/63/18/54/1349631854.db2.gz NQTSAYPUNSKZLB-UHFFFAOYSA-N -1 1 343.391 2.360 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc(C(C)(C)C)oc2C)c1-c1nn[n-]n1 ZINC001592432968 1349631856 /nfs/dbraw/zinc/63/18/56/1349631856.db2.gz NQTSAYPUNSKZLB-UHFFFAOYSA-N -1 1 343.391 2.360 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC001592478294 1349635833 /nfs/dbraw/zinc/63/58/33/1349635833.db2.gz AOISDQUCMFVWNU-HWKANZROSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)C=Cc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC001592478294 1349635835 /nfs/dbraw/zinc/63/58/35/1349635835.db2.gz AOISDQUCMFVWNU-HWKANZROSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C)Cc2ccsc2)c1-c1nnn[n-]1 ZINC001592480096 1349635934 /nfs/dbraw/zinc/63/59/34/1349635934.db2.gz IQWJVDDBESNVPN-ZETCQYMHSA-N -1 1 349.445 2.446 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H](C)Cc2ccsc2)c1-c1nn[n-]n1 ZINC001592480096 1349635935 /nfs/dbraw/zinc/63/59/35/1349635935.db2.gz IQWJVDDBESNVPN-ZETCQYMHSA-N -1 1 349.445 2.446 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)cc1 ZINC001592527684 1349647579 /nfs/dbraw/zinc/64/75/79/1349647579.db2.gz GMDVKFUKBWIEPH-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)cc1 ZINC001592527684 1349647581 /nfs/dbraw/zinc/64/75/81/1349647581.db2.gz GMDVKFUKBWIEPH-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001592534158 1349650332 /nfs/dbraw/zinc/65/03/32/1349650332.db2.gz DGCLZOBRPDDCOE-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001592534158 1349650333 /nfs/dbraw/zinc/65/03/33/1349650333.db2.gz DGCLZOBRPDDCOE-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccnc1N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592535852 1349651394 /nfs/dbraw/zinc/65/13/94/1349651394.db2.gz ASINMWCJYNAPEB-UHFFFAOYSA-N -1 1 347.835 2.303 20 0 EEADMM Cn1c(NC(=O)c2coc(-c3nnn[n-]3)c2)nc2c1cccc2Cl ZINC001592554847 1349657431 /nfs/dbraw/zinc/65/74/31/1349657431.db2.gz BBKOAECPNMDFON-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Cn1c(NC(=O)c2coc(-c3nn[n-]n3)c2)nc2c1cccc2Cl ZINC001592554847 1349657434 /nfs/dbraw/zinc/65/74/34/1349657434.db2.gz BBKOAECPNMDFON-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592648264 1349692286 /nfs/dbraw/zinc/69/22/86/1349692286.db2.gz FMXVZNWPGSDFRA-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM Fc1ccc(C[C@@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592648264 1349692291 /nfs/dbraw/zinc/69/22/91/1349692291.db2.gz FMXVZNWPGSDFRA-AWEZNQCLSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(CCSc1ccc(Cl)cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592849266 1349719675 /nfs/dbraw/zinc/71/96/75/1349719675.db2.gz FYCWHNSQVALHTR-UHFFFAOYSA-N -1 1 349.807 2.364 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cnc2ccsc2c1 ZINC001593136690 1349739461 /nfs/dbraw/zinc/73/94/61/1349739461.db2.gz FPBAFMQPVIUHSF-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1cccc(F)c1-c1nnn[n-]1 ZINC001593143715 1349741286 /nfs/dbraw/zinc/74/12/86/1349741286.db2.gz CURMTIMUHUDSKL-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM O=C(NCc1cccc2ncccc12)c1cccc(F)c1-c1nn[n-]n1 ZINC001593143715 1349741288 /nfs/dbraw/zinc/74/12/88/1349741288.db2.gz CURMTIMUHUDSKL-UHFFFAOYSA-N -1 1 348.341 2.484 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc2ccccc2o1 ZINC001593195908 1349744872 /nfs/dbraw/zinc/74/48/72/1349744872.db2.gz GWXFVMCFXVNSRV-UHFFFAOYSA-N -1 1 335.327 2.466 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc2c1CCC2 ZINC001593196339 1349745082 /nfs/dbraw/zinc/74/50/82/1349745082.db2.gz NUSKNHHGZLBXBV-UHFFFAOYSA-N -1 1 335.371 2.208 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N(Cc1ccoc1)C1CC1 ZINC001593243895 1349747986 /nfs/dbraw/zinc/74/79/86/1349747986.db2.gz QWQKRUJLZJVMAM-UHFFFAOYSA-N -1 1 325.332 2.051 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N(Cc1ccoc1)C1CC1 ZINC001593243895 1349747993 /nfs/dbraw/zinc/74/79/93/1349747993.db2.gz QWQKRUJLZJVMAM-UHFFFAOYSA-N -1 1 325.332 2.051 20 0 EEADMM O=C(Nc1cnc(Oc2ccccc2)nc1)c1coc(-c2nnn[n-]2)c1 ZINC001593258329 1349752439 /nfs/dbraw/zinc/75/24/39/1349752439.db2.gz FFGPZFZDYVDKST-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(Nc1cnc(Oc2ccccc2)nc1)c1coc(-c2nn[n-]n2)c1 ZINC001593258329 1349752445 /nfs/dbraw/zinc/75/24/45/1349752445.db2.gz FFGPZFZDYVDKST-UHFFFAOYSA-N -1 1 349.310 2.294 20 0 EEADMM O=C(OC[C@@]12CCC[C@@H]1OCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283932 1349761908 /nfs/dbraw/zinc/76/19/08/1349761908.db2.gz FQVGVXXKJNHQCV-LRDDRELGSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@@]12CCC[C@@H]1OCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283932 1349761911 /nfs/dbraw/zinc/76/19/11/1349761911.db2.gz FQVGVXXKJNHQCV-LRDDRELGSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@]1(c2ccccc2)CCCO1 ZINC001593297973 1349771424 /nfs/dbraw/zinc/77/14/24/1349771424.db2.gz UZDZWNKCLBJSBO-KRWDZBQOSA-N -1 1 340.339 2.209 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@]1(c2ccccc2)CCCO1 ZINC001593297973 1349771426 /nfs/dbraw/zinc/77/14/26/1349771426.db2.gz UZDZWNKCLBJSBO-KRWDZBQOSA-N -1 1 340.339 2.209 20 0 EEADMM O=C(OCc1ccc(Cl)cc1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593300500 1349772519 /nfs/dbraw/zinc/77/25/19/1349772519.db2.gz RKONUVVDQQLDOZ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(Cl)cc1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593300500 1349772529 /nfs/dbraw/zinc/77/25/29/1349772529.db2.gz RKONUVVDQQLDOZ-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC(CCF)CC1 ZINC001593329761 1349782501 /nfs/dbraw/zinc/78/25/01/1349782501.db2.gz XDTDDRNGJQBZQZ-UHFFFAOYSA-N -1 1 339.321 2.357 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC(CCF)CC1 ZINC001593329761 1349782507 /nfs/dbraw/zinc/78/25/07/1349782507.db2.gz XDTDDRNGJQBZQZ-UHFFFAOYSA-N -1 1 339.321 2.357 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001593362563 1349791133 /nfs/dbraw/zinc/79/11/33/1349791133.db2.gz UOSUAAIKYJZKED-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001593362563 1349791136 /nfs/dbraw/zinc/79/11/36/1349791136.db2.gz UOSUAAIKYJZKED-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CC[C@H](Cc2nccs2)C1 ZINC001593371049 1349792900 /nfs/dbraw/zinc/79/29/00/1349792900.db2.gz LQGKPGBMBZSERR-SECBINFHSA-N -1 1 346.441 2.090 20 0 EEADMM O=C1O[C@@H](CSCc2nc(-c3nnn[n-]3)cs2)CC12CCC2 ZINC001593413310 1349797727 /nfs/dbraw/zinc/79/77/27/1349797727.db2.gz RKWYLDLYDXBRQZ-MRVPVSSYSA-N -1 1 337.430 2.042 20 0 EEADMM O=C1O[C@@H](CSCc2nc(-c3nn[n-]n3)cs2)CC12CCC2 ZINC001593413310 1349797729 /nfs/dbraw/zinc/79/77/29/1349797729.db2.gz RKWYLDLYDXBRQZ-MRVPVSSYSA-N -1 1 337.430 2.042 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1C/C(Cl)=C\Cl ZINC001593492969 1349818447 /nfs/dbraw/zinc/81/84/47/1349818447.db2.gz RWHRFSNPIQCLPD-HWKANZROSA-N -1 1 340.092 2.366 20 0 EEADMM O=c1ccc2ccc(Oc3cc(-c4nnn[n-]4)nc(C4CC4)n3)cc2o1 ZINC001593497980 1349820719 /nfs/dbraw/zinc/82/07/19/1349820719.db2.gz UUWIHEOHVOUFPO-UHFFFAOYSA-N -1 1 348.322 2.433 20 0 EEADMM O=c1ccc2ccc(Oc3cc(-c4nn[n-]n4)nc(C4CC4)n3)cc2o1 ZINC001593497980 1349820723 /nfs/dbraw/zinc/82/07/23/1349820723.db2.gz UUWIHEOHVOUFPO-UHFFFAOYSA-N -1 1 348.322 2.433 20 0 EEADMM O[C@@H](COc1ccc(F)nc1-c1nn[n-]n1)Cc1cccc(Cl)c1 ZINC001593508707 1349825010 /nfs/dbraw/zinc/82/50/10/1349825010.db2.gz WXZHLZOVMULNKA-LLVKDONJSA-N -1 1 349.753 2.037 20 0 EEADMM OC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC001593526996 1349830988 /nfs/dbraw/zinc/83/09/88/1349830988.db2.gz WRUXXQJSXKYQGC-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC001593526996 1349830991 /nfs/dbraw/zinc/83/09/91/1349830991.db2.gz WRUXXQJSXKYQGC-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@H]1CCCC[C@@H]1CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001593538337 1349835000 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ZINC001604787177 1351003551 /nfs/dbraw/zinc/00/35/51/1351003551.db2.gz XHKNFTVUMTVRBO-GWCFXTLKSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC001604790947 1351004330 /nfs/dbraw/zinc/00/43/30/1351004330.db2.gz PFUIUBWBDIAOKH-WBMJQRKESA-N -1 1 349.406 2.003 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1C(F)F ZINC001604793432 1351006728 /nfs/dbraw/zinc/00/67/28/1351006728.db2.gz ZGOFLVUORPNOJL-LLVKDONJSA-N -1 1 326.343 2.245 20 0 EEADMM COC(=O)[C@@]1(NCc2ccc(-c3nnn[n-]3)o2)CCCC(C)(C)C1 ZINC001604917180 1351031591 /nfs/dbraw/zinc/03/15/91/1351031591.db2.gz JDCNZGFPOZAMFG-MRXNPFEDSA-N -1 1 333.392 2.061 20 0 EEADMM COC(=O)[C@@]1(NCc2ccc(-c3nn[n-]n3)o2)CCCC(C)(C)C1 ZINC001604917180 1351031593 /nfs/dbraw/zinc/03/15/93/1351031593.db2.gz JDCNZGFPOZAMFG-MRXNPFEDSA-N -1 1 333.392 2.061 20 0 EEADMM CC[C@@H](C)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949075 1351037624 /nfs/dbraw/zinc/03/76/24/1351037624.db2.gz YCGRXUBBMPUXMK-XRGYYRRGSA-N -1 1 346.352 2.097 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001604953937 1351038228 /nfs/dbraw/zinc/03/82/28/1351038228.db2.gz SKLJOFBFNFJMJA-UHFFFAOYSA-N -1 1 343.299 2.166 20 0 EEADMM COC(=O)Nc1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001604953937 1351038230 /nfs/dbraw/zinc/03/82/30/1351038230.db2.gz SKLJOFBFNFJMJA-UHFFFAOYSA-N -1 1 343.299 2.166 20 0 EEADMM COC(=O)c1ccc(NCc2cccc3[nH]ccc32)c(-c2nnn[n-]2)n1 ZINC001604978033 1351043662 /nfs/dbraw/zinc/04/36/62/1351043662.db2.gz GVSBNPGKWQEIRD-UHFFFAOYSA-N -1 1 349.354 2.142 20 0 EEADMM COC(=O)c1ccc(NCc2cccc3[nH]ccc32)c(-c2nn[n-]n2)n1 ZINC001604978033 1351043663 /nfs/dbraw/zinc/04/36/63/1351043663.db2.gz GVSBNPGKWQEIRD-UHFFFAOYSA-N -1 1 349.354 2.142 20 0 EEADMM COCCc1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001605123408 1351082403 /nfs/dbraw/zinc/08/24/03/1351082403.db2.gz RFONPKOJNVQGEB-UHFFFAOYSA-N -1 1 328.328 2.176 20 0 EEADMM COCCc1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001605123408 1351082404 /nfs/dbraw/zinc/08/24/04/1351082404.db2.gz RFONPKOJNVQGEB-UHFFFAOYSA-N -1 1 328.328 2.176 20 0 EEADMM COCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001605131968 1351084192 /nfs/dbraw/zinc/08/41/92/1351084192.db2.gz IYTHMADXZZZZLJ-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COc1ccc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001605268022 1351120004 /nfs/dbraw/zinc/12/00/04/1351120004.db2.gz HQQONGQDOQYSII-ZDUSSCGKSA-N -1 1 341.350 2.146 20 0 EEADMM COc1ccc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001605268022 1351120005 /nfs/dbraw/zinc/12/00/05/1351120005.db2.gz HQQONGQDOQYSII-ZDUSSCGKSA-N -1 1 341.350 2.146 20 0 EEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001605268359 1351120645 /nfs/dbraw/zinc/12/06/45/1351120645.db2.gz SZLZZGHNNURJMI-CYBMUJFWSA-N -1 1 339.355 2.446 20 0 EEADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001605268359 1351120647 /nfs/dbraw/zinc/12/06/47/1351120647.db2.gz SZLZZGHNNURJMI-CYBMUJFWSA-N -1 1 339.355 2.446 20 0 EEADMM CCCOc1ccc(NS(=O)(=O)c2cccnc2C(=O)[O-])cc1 ZINC001605341093 1351140432 /nfs/dbraw/zinc/14/04/32/1351140432.db2.gz DYIAJMNQHZSVKY-UHFFFAOYSA-N -1 1 336.369 2.369 20 0 EEADMM CSCCCCCCC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001605376769 1351148505 /nfs/dbraw/zinc/14/85/05/1351148505.db2.gz RPNLWBIIHBXUIV-UHFFFAOYSA-N -1 1 340.478 2.253 20 0 EEADMM CSCCCCCCC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001605376769 1351148508 /nfs/dbraw/zinc/14/85/08/1351148508.db2.gz RPNLWBIIHBXUIV-UHFFFAOYSA-N -1 1 340.478 2.253 20 0 EEADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605504536 1351173662 /nfs/dbraw/zinc/17/36/62/1351173662.db2.gz DJPPPKBANBUXPU-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605504536 1351173666 /nfs/dbraw/zinc/17/36/66/1351173666.db2.gz DJPPPKBANBUXPU-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CCOC(=O)N(C)C1CCN(Cc2cc(C(=O)[O-])c(CC)[nH]2)CC1 ZINC001605543580 1351186535 /nfs/dbraw/zinc/18/65/35/1351186535.db2.gz NULXSLLKWWYQPI-UHFFFAOYSA-N -1 1 337.420 2.328 20 0 EEADMM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n[nH]1 ZINC001605852069 1351236734 /nfs/dbraw/zinc/23/67/34/1351236734.db2.gz SJMYSWFEZZLSMK-CYBMUJFWSA-N -1 1 328.294 2.042 20 0 EEADMM Cc1ccccc1C(F)(F)CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605935380 1351256188 /nfs/dbraw/zinc/25/61/88/1351256188.db2.gz QLRBEXCVWKBAGG-UHFFFAOYSA-N -1 1 333.298 2.290 20 0 EEADMM Cc1ccccc1C(F)(F)CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001605935380 1351256193 /nfs/dbraw/zinc/25/61/93/1351256193.db2.gz QLRBEXCVWKBAGG-UHFFFAOYSA-N -1 1 333.298 2.290 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)sc2nccc(C)c12 ZINC001605960703 1351259596 /nfs/dbraw/zinc/25/95/96/1351259596.db2.gz YXJPJABAOFRTIT-UHFFFAOYSA-N -1 1 340.372 2.069 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)sc2nccc(C)c12 ZINC001605960703 1351259598 /nfs/dbraw/zinc/25/95/98/1351259598.db2.gz YXJPJABAOFRTIT-UHFFFAOYSA-N -1 1 340.372 2.069 20 0 EEADMM Cc1nc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc(-c2nnn[n-]2)n1 ZINC001606062452 1351267328 /nfs/dbraw/zinc/26/73/28/1351267328.db2.gz AGHMASBDFTXFCR-BYCMXARLSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1nc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc(-c2nn[n-]n2)n1 ZINC001606062452 1351267330 /nfs/dbraw/zinc/26/73/30/1351267330.db2.gz AGHMASBDFTXFCR-BYCMXARLSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606104302 1351271429 /nfs/dbraw/zinc/27/14/29/1351271429.db2.gz MCPGIDJWCISSRV-UHFFFAOYSA-N -1 1 332.371 2.230 20 0 EEADMM Cc1nn(-c2ccccc2)c(C)c1Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606104302 1351271432 /nfs/dbraw/zinc/27/14/32/1351271432.db2.gz MCPGIDJWCISSRV-UHFFFAOYSA-N -1 1 332.371 2.230 20 0 EEADMM Cn1ncc(C2CC2)c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001606276112 1351288651 /nfs/dbraw/zinc/28/86/51/1351288651.db2.gz HACWMIXLXCAGPU-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM Cn1ncc(C2CC2)c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001606276112 1351288653 /nfs/dbraw/zinc/28/86/53/1351288653.db2.gz HACWMIXLXCAGPU-UHFFFAOYSA-N -1 1 347.386 2.033 20 0 EEADMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606498832 1351312574 /nfs/dbraw/zinc/31/25/74/1351312574.db2.gz PBDMSVRMTMPAHM-HTQZYQBOSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606498832 1351312576 /nfs/dbraw/zinc/31/25/76/1351312576.db2.gz PBDMSVRMTMPAHM-HTQZYQBOSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606664879 1351339268 /nfs/dbraw/zinc/33/92/68/1351339268.db2.gz VRWSGHKBSJQKHY-VDAHYXPESA-N -1 1 325.344 2.092 20 0 EEADMM O=C(N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606664879 1351339270 /nfs/dbraw/zinc/33/92/70/1351339270.db2.gz VRWSGHKBSJQKHY-VDAHYXPESA-N -1 1 325.344 2.092 20 0 EEADMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606683643 1351341444 /nfs/dbraw/zinc/34/14/44/1351341444.db2.gz SHGIIPJISQSPLK-KBPBESRZSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606683643 1351341447 /nfs/dbraw/zinc/34/14/47/1351341447.db2.gz SHGIIPJISQSPLK-KBPBESRZSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606683645 1351341706 /nfs/dbraw/zinc/34/17/06/1351341706.db2.gz SHGIIPJISQSPLK-UONOGXRCSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606683645 1351341709 /nfs/dbraw/zinc/34/17/09/1351341709.db2.gz SHGIIPJISQSPLK-UONOGXRCSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)-c1ccccc1C2 ZINC001606893370 1351370969 /nfs/dbraw/zinc/37/09/69/1351370969.db2.gz NXWSDRNSROKXNW-UHFFFAOYSA-N -1 1 343.350 2.413 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2c(c1)-c1ccccc1C2 ZINC001606893370 1351370971 /nfs/dbraw/zinc/37/09/71/1351370971.db2.gz NXWSDRNSROKXNW-UHFFFAOYSA-N -1 1 343.350 2.413 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCOC2(CCCC2)C1 ZINC001606953708 1351383672 /nfs/dbraw/zinc/38/36/72/1351383672.db2.gz ZDXLHXCSOBXKEL-SECBINFHSA-N -1 1 334.405 2.001 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCOC2(CCCC2)C1 ZINC001606953708 1351383675 /nfs/dbraw/zinc/38/36/75/1351383675.db2.gz ZDXLHXCSOBXKEL-SECBINFHSA-N -1 1 334.405 2.001 20 0 EEADMM O=C(OCc1coc(C2CC2)n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606985829 1351393207 /nfs/dbraw/zinc/39/32/07/1351393207.db2.gz WNAOQBFUXKXOCU-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM O=C(OCc1coc(C2CC2)n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606985829 1351393210 /nfs/dbraw/zinc/39/32/10/1351393210.db2.gz WNAOQBFUXKXOCU-UHFFFAOYSA-N -1 1 329.291 2.228 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1coc(-c2nnn[n-]2)c1 ZINC001606990696 1351394406 /nfs/dbraw/zinc/39/44/06/1351394406.db2.gz PWBCLEYNOMCJMR-UHFFFAOYSA-N -1 1 325.259 2.366 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1coc(-c2nn[n-]n2)c1 ZINC001606990696 1351394407 /nfs/dbraw/zinc/39/44/07/1351394407.db2.gz PWBCLEYNOMCJMR-UHFFFAOYSA-N -1 1 325.259 2.366 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC001607031562 1351401335 /nfs/dbraw/zinc/40/13/35/1351401335.db2.gz GRHPTMMXBRRFSZ-QWRGUYRKSA-N -1 1 335.458 2.428 20 0 EEADMM O=C1[C@H](Sc2cccnc2-c2nnn[n-]2)CCN1C1CCCCC1 ZINC001607036816 1351402239 /nfs/dbraw/zinc/40/22/39/1351402239.db2.gz AXGCUSQQPCLQCE-CYBMUJFWSA-N -1 1 344.444 2.287 20 0 EEADMM O=C1[C@H](Sc2cccnc2-c2nn[n-]n2)CCN1C1CCCCC1 ZINC001607036816 1351402242 /nfs/dbraw/zinc/40/22/42/1351402242.db2.gz AXGCUSQQPCLQCE-CYBMUJFWSA-N -1 1 344.444 2.287 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cnc(-c2ccccc2)s1 ZINC001607091549 1351413967 /nfs/dbraw/zinc/41/39/67/1351413967.db2.gz HZFHEJIVPSLLRR-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM c1cc(CNc2nnc(CC3CCCCC3)o2)nc(-c2nnn[n-]2)c1 ZINC001607119315 1351426528 /nfs/dbraw/zinc/42/65/28/1351426528.db2.gz ZYNJLSQPXILZHP-UHFFFAOYSA-N -1 1 340.391 2.380 20 0 EEADMM c1cc(CNc2nnc(CC3CCCCC3)o2)nc(-c2nn[n-]n2)c1 ZINC001607119315 1351426532 /nfs/dbraw/zinc/42/65/32/1351426532.db2.gz ZYNJLSQPXILZHP-UHFFFAOYSA-N -1 1 340.391 2.380 20 0 EEADMM c1ccc(OC2CCCC2)c(CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001607130760 1351431922 /nfs/dbraw/zinc/43/19/22/1351431922.db2.gz IVUTZFNUCVEGAO-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM c1nn2ccccc2c1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001607131459 1351433134 /nfs/dbraw/zinc/43/31/34/1351433134.db2.gz DPSNWIQRUHHCFH-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM c1nn2ccccc2c1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001607131459 1351433136 /nfs/dbraw/zinc/43/31/36/1351433136.db2.gz DPSNWIQRUHHCFH-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM COc1ccc(-c2nc(CN[C@@]3(CC(=O)[O-])CCCOC3)co2)cc1 ZINC001607196752 1351447650 /nfs/dbraw/zinc/44/76/50/1351447650.db2.gz BDBMTPXDGWQYRN-GOSISDBHSA-N -1 1 346.383 2.464 20 0 EEADMM COc1ccc(C(=O)[O-])cc1CN(C)[C@H](CC(N)=O)c1ccccc1 ZINC001607215028 1351450970 /nfs/dbraw/zinc/45/09/70/1351450970.db2.gz CUNYYFSSJIWVDS-MRXNPFEDSA-N -1 1 342.395 2.442 20 0 EEADMM COc1ccc([C@@H](N[C@H](C)c2cnc(C)nc2C)C(=O)[O-])cc1O ZINC001607230904 1351454483 /nfs/dbraw/zinc/45/44/83/1351454483.db2.gz GIOSOXZABWLADH-QLJPJBMISA-N -1 1 331.372 2.284 20 0 EEADMM COc1ccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)cc1C ZINC001607290271 1351465881 /nfs/dbraw/zinc/46/58/81/1351465881.db2.gz FQICMVRGBJUCIK-GFCCVEGCSA-N -1 1 343.383 2.386 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C)c1C(=O)[O-] ZINC001607486617 1351502460 /nfs/dbraw/zinc/50/24/60/1351502460.db2.gz VLZWAEZVUXPMLC-MJBXVCDLSA-N -1 1 334.416 2.138 20 0 EEADMM Cc1[nH]c(CN2CCC(c3nnc4n3CCCC4)CC2)cc1C(=O)[O-] ZINC001607494028 1351504515 /nfs/dbraw/zinc/50/45/15/1351504515.db2.gz JXTFIXNCQNICIT-UHFFFAOYSA-N -1 1 343.431 2.329 20 0 EEADMM Cc1[nH]c(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1C(=O)[O-] ZINC001607494043 1351504795 /nfs/dbraw/zinc/50/47/95/1351504795.db2.gz JZXVSTQUGQVQCP-ZDUSSCGKSA-N -1 1 347.459 2.492 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC001607741491 1351550028 /nfs/dbraw/zinc/55/00/28/1351550028.db2.gz KFGLZTYNPPVQSH-HOTGVXAUSA-N -1 1 346.427 2.380 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)N[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001607755513 1351552498 /nfs/dbraw/zinc/55/24/98/1351552498.db2.gz ZJYURCGSDRHTPL-ZFWWWQNUSA-N -1 1 342.399 2.091 20 0 EEADMM Cc1nc([C@H](C)OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC001607935478 1351589183 /nfs/dbraw/zinc/58/91/83/1351589183.db2.gz PFLDPFVSINMTML-VIFPVBQESA-N -1 1 328.328 2.070 20 0 EEADMM Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607946999 1351590809 /nfs/dbraw/zinc/59/08/09/1351590809.db2.gz ULFYSQXNBFRISF-MIMYLULJSA-N -1 1 327.450 2.203 20 0 EEADMM Nc1nnc([C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3Cl)C2)o1 ZINC001608280130 1351662363 /nfs/dbraw/zinc/66/23/63/1351662363.db2.gz VOVMRIORGIVVNA-SNVBAGLBSA-N -1 1 336.779 2.383 20 0 EEADMM O=C(CNC(=O)c1ccc(F)c([O-])c1)Nc1cccc2cccnc21 ZINC001626427119 1352463180 /nfs/dbraw/zinc/46/31/80/1352463180.db2.gz QNKUQWQCKGQXSF-UHFFFAOYSA-N -1 1 339.326 2.448 20 0 EEADMM COC(=O)c1c[n-]c(SCc2nc(-c3cc(C)ccn3)no2)n1 ZINC001643865795 1352754736 /nfs/dbraw/zinc/75/47/36/1352754736.db2.gz OGOZHRDGDHZLOZ-UHFFFAOYSA-N -1 1 331.357 2.242 20 0 EEADMM C[C@@H](C1CC1)N(C)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001646894963 1353031777 /nfs/dbraw/zinc/03/17/77/1353031777.db2.gz HGZOXGWDNUKNRD-AAEUAGOBSA-N -1 1 346.435 2.178 20 0 EEADMM CCCCN(CC)c1ccc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001649334137 1353484467 /nfs/dbraw/zinc/48/44/67/1353484467.db2.gz CPQWNOIASFCTPG-OAHLLOKOSA-N -1 1 342.447 2.456 20 0 EEADMM CC(C)c1ccc(OCCC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001649335679 1353484963 /nfs/dbraw/zinc/48/49/63/1353484963.db2.gz MJLGOGKVPQGIIA-CQSZACIVSA-N -1 1 329.404 2.108 20 0 EEADMM C[C@@H]1CC(NC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C[C@@H](C)C1 ZINC001649960886 1353665254 /nfs/dbraw/zinc/66/52/54/1353665254.db2.gz SNUYBRKVFFHKSO-UWVGGRQHSA-N -1 1 335.370 2.131 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCc2cccc(Cl)c2F)n1 ZINC000074850375 1354368468 /nfs/dbraw/zinc/36/84/68/1354368468.db2.gz QHMDZCLQUXVWEW-UHFFFAOYSA-N -1 1 325.731 2.104 20 0 EEADMM CC[C@@H](C)C(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001388711462 1387665331 /nfs/dbraw/zinc/66/53/31/1387665331.db2.gz WOAYJFKPZHIUGB-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1CC[C@@H](CC(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001388993640 1387868684 /nfs/dbraw/zinc/86/86/84/1387868684.db2.gz XDLFNICMJGTCEU-ZIAGYGMSSA-N -1 1 333.432 2.144 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccc2c(c1)CCCC2=O)C(F)(F)F ZINC000815376358 1367981377 /nfs/dbraw/zinc/98/13/77/1367981377.db2.gz DVJDHPFYAUSSLH-UHFFFAOYSA-N -1 1 343.301 2.431 20 0 EEADMM CC(=O)c1ccccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000346823292 1368139092 /nfs/dbraw/zinc/13/90/92/1368139092.db2.gz HSLLKYVSXPHEEM-UHFFFAOYSA-N -1 1 337.339 2.234 20 0 EEADMM CCOc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc(C)n1 ZINC001186899984 1368216930 /nfs/dbraw/zinc/21/69/30/1368216930.db2.gz XXRMVQGSOMXMSP-UHFFFAOYSA-N -1 1 347.396 2.084 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)CCc2cnc3[nH]ccc3c2)[n-]1 ZINC001187543551 1368249900 /nfs/dbraw/zinc/24/99/00/1368249900.db2.gz KVCNWMUFLHIGIT-UHFFFAOYSA-N -1 1 327.344 2.034 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)CCc2cnc3[nH]ccc3c2)n1 ZINC001187543551 1368249906 /nfs/dbraw/zinc/24/99/06/1368249906.db2.gz KVCNWMUFLHIGIT-UHFFFAOYSA-N -1 1 327.344 2.034 20 0 EEADMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1n[n-]nc1C(F)(F)F ZINC001187773206 1368262890 /nfs/dbraw/zinc/26/28/90/1368262890.db2.gz AGUNAISGDSYDFU-ZETCQYMHSA-N -1 1 332.669 2.340 20 0 EEADMM O=C(c1cc([O-])cc(F)c1F)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001192660692 1368420704 /nfs/dbraw/zinc/42/07/04/1368420704.db2.gz AZJROJFRRYNPCG-OLZOCXBDSA-N -1 1 344.317 2.478 20 0 EEADMM Cc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3C)n1 ZINC001195331353 1368520821 /nfs/dbraw/zinc/52/08/21/1368520821.db2.gz WURYIHYZDOFDOE-UHFFFAOYSA-N -1 1 326.356 2.350 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2nc(-c3ccccc3)c[nH]2)n[nH]1 ZINC001195335108 1368522254 /nfs/dbraw/zinc/52/22/54/1368522254.db2.gz DQMOPKATADCRPY-UHFFFAOYSA-N -1 1 325.328 2.229 20 0 EEADMM CCOc1cccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1 ZINC000852757394 1369298437 /nfs/dbraw/zinc/29/84/37/1369298437.db2.gz SZBKXXXQPUPKQQ-YPMHNXCESA-N -1 1 345.365 2.369 20 0 EEADMM Cc1cc(NC[C@@H](C2CC2)N(C)C(=O)c2ncccc2[O-])nc(C)n1 ZINC001115507730 1371650187 /nfs/dbraw/zinc/65/01/87/1371650187.db2.gz GIWWAHNPOCVFFI-AWEZNQCLSA-N -1 1 341.415 2.157 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC001117960100 1371768435 /nfs/dbraw/zinc/76/84/35/1371768435.db2.gz NHBWHHPNYOFFQY-UHFFFAOYSA-N -1 1 349.399 2.459 20 0 EEADMM COc1ccc(CN(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1F ZINC001123576157 1372157041 /nfs/dbraw/zinc/15/70/41/1372157041.db2.gz NMEBFKAPPRHHBW-UHFFFAOYSA-N -1 1 337.376 2.199 20 0 EEADMM Cc1ccc(CCC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000831125914 1372365944 /nfs/dbraw/zinc/36/59/44/1372365944.db2.gz SZMIGCOJXYIPGP-UHFFFAOYSA-N -1 1 334.363 2.126 20 0 EEADMM CC1(C)CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC[S@@]1=O ZINC000832020938 1372406137 /nfs/dbraw/zinc/40/61/37/1372406137.db2.gz QFLHZRDRRLQYAV-QHCPKHFHSA-N -1 1 335.425 2.232 20 0 EEADMM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C(=O)[O-])o3)O2)n1 ZINC001140945710 1372721187 /nfs/dbraw/zinc/72/11/87/1372721187.db2.gz DQTKKZLCIJPZEH-UPJWGTAASA-N -1 1 333.344 2.164 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000837851532 1372809463 /nfs/dbraw/zinc/80/94/63/1372809463.db2.gz WADDEJDSXXLYRO-IUODEOHRSA-N -1 1 333.384 2.321 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1cc2n(n1)CCCC2 ZINC000838296547 1372838804 /nfs/dbraw/zinc/83/88/04/1372838804.db2.gz NGMUKYGUDAGKNG-UHFFFAOYSA-N -1 1 340.335 2.388 20 0 EEADMM Cc1cnc2c(cnn2CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC001141540714 1372874884 /nfs/dbraw/zinc/87/48/84/1372874884.db2.gz USUXSYVDTPKVFO-UHFFFAOYSA-N -1 1 348.366 2.474 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(C1CC1)C1CC1 ZINC000848340981 1373136964 /nfs/dbraw/zinc/13/69/64/1373136964.db2.gz KLGPACVMYMBDPF-BXKDBHETSA-N -1 1 332.366 2.481 20 0 EEADMM CCC[C@@H]1CC(=O)N(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848503253 1373156003 /nfs/dbraw/zinc/15/60/03/1373156003.db2.gz YTUSBKLDEHKQJU-JHJVBQTASA-N -1 1 349.397 2.124 20 0 EEADMM CN(C)C(=O)COc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001361780016 1373336393 /nfs/dbraw/zinc/33/63/93/1373336393.db2.gz HTABQVPAOYJNHD-UHFFFAOYSA-N -1 1 332.331 2.251 20 0 EEADMM COC(=O)CCCc1nnc(NC(=O)c2ccc(F)c([O-])c2)s1 ZINC001362162195 1373374208 /nfs/dbraw/zinc/37/42/08/1373374208.db2.gz OXWDQGQRSYZCHX-UHFFFAOYSA-N -1 1 339.348 2.131 20 0 EEADMM CCC1(CC)Oc2ccc(NC(=O)CCCc3nn[n-]n3)cc2O1 ZINC001363117771 1373485154 /nfs/dbraw/zinc/48/51/54/1373485154.db2.gz JKMBKHQDPVXQNQ-UHFFFAOYSA-N -1 1 331.376 2.449 20 0 EEADMM CSc1ncc(C(=O)N[C@@H](C)c2c(F)cncc2F)c(=O)[n-]1 ZINC001363176110 1373488360 /nfs/dbraw/zinc/48/83/60/1373488360.db2.gz OCYRLRKMYYFCEP-LURJTMIESA-N -1 1 326.328 2.068 20 0 EEADMM Cc1ccc(O)c(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC001363466912 1373522509 /nfs/dbraw/zinc/52/25/09/1373522509.db2.gz QXYZFMPAMLAOJI-JQWIXIFHSA-N -1 1 344.333 2.372 20 0 EEADMM CO[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1ccccc1Br ZINC001364090906 1373586991 /nfs/dbraw/zinc/58/69/91/1373586991.db2.gz HHVWTKGATRCBAP-SNVBAGLBSA-N -1 1 326.150 2.204 20 0 EEADMM Cc1ncoc1C[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001364988412 1373642406 /nfs/dbraw/zinc/64/24/06/1373642406.db2.gz HIQAHMWEIMMPAU-UHFFFAOYSA-N -1 1 349.181 2.363 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001370134304 1374820262 /nfs/dbraw/zinc/82/02/62/1374820262.db2.gz DSYFHBCTDPLGQY-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H]1C[C@H](NC(=O)CCCC2CC2)CN1C(=O)c1ncccc1[O-] ZINC001370876166 1375095573 /nfs/dbraw/zinc/09/55/73/1375095573.db2.gz ZQNJQYASSLBUIG-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1sccc1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001371286900 1375358940 /nfs/dbraw/zinc/35/89/40/1375358940.db2.gz YGGPJLNQYBELCN-QWRGUYRKSA-N -1 1 347.440 2.484 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)C1CCCC1 ZINC001375059501 1377326498 /nfs/dbraw/zinc/32/64/98/1377326498.db2.gz LMKJSRASIJTDKD-OCCSQVGLSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@@]1(C)C[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001375284119 1377584786 /nfs/dbraw/zinc/58/47/86/1377584786.db2.gz SGUVQEZBMBFCQZ-UGSOOPFHSA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccc[nH]1 ZINC001381026647 1381490359 /nfs/dbraw/zinc/49/03/59/1381490359.db2.gz HSJNJFKUSGHJSA-ZDUSSCGKSA-N -1 1 344.415 2.032 20 0 EEADMM CCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001383234920 1382407906 /nfs/dbraw/zinc/40/79/06/1382407906.db2.gz WJYIJVIDKILKDH-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CCCCC1 ZINC001386744044 1386292181 /nfs/dbraw/zinc/29/21/81/1386292181.db2.gz OLKCZHMRTRNUDC-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CC[C@H](C)C(=O)N[C@H](CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001387554979 1386835040 /nfs/dbraw/zinc/83/50/40/1386835040.db2.gz NQLPSWPHUGGFSX-DZGCQCFKSA-N -1 1 341.411 2.421 20 0 EEADMM CC(C)C[C@@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001391397304 1389341253 /nfs/dbraw/zinc/34/12/53/1389341253.db2.gz XEILILKRPHTFFW-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H](C)N(C)Cc2ccc(Cl)s2)c1[O-] ZINC001394060430 1390599804 /nfs/dbraw/zinc/59/98/04/1390599804.db2.gz UUAFEEVQLDKZAP-MRVPVSSYSA-N -1 1 342.852 2.389 20 0 EEADMM C[C@H](CNC(=O)c1ccc(Cl)cc1)N(C)C(=O)c1ncccc1[O-] ZINC001395166399 1390797330 /nfs/dbraw/zinc/79/73/30/1390797330.db2.gz NYAFYXILJZWVBB-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001396148368 1390912559 /nfs/dbraw/zinc/91/25/59/1390912559.db2.gz QGFSLVPHSOKROA-JSGCOSHPSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)[C@H](CNC(=O)[C@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001396148373 1390912631 /nfs/dbraw/zinc/91/26/31/1390912631.db2.gz QGFSLVPHSOKROA-OCCSQVGLSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](CCNC(=O)[C@@H](C)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001397829288 1391495506 /nfs/dbraw/zinc/49/55/06/1391495506.db2.gz JKLLXXBASYEQDJ-KGLIPLIRSA-N -1 1 341.411 2.216 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CCC[C@H]1C ZINC001398091479 1391688560 /nfs/dbraw/zinc/68/85/60/1391688560.db2.gz XYDZUAUVBOCHNJ-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CC1 ZINC001398224208 1391905559 /nfs/dbraw/zinc/90/55/59/1391905559.db2.gz GSWGFPDQIIAXQV-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(CC1CC1)NC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001398399652 1392433711 /nfs/dbraw/zinc/43/37/11/1392433711.db2.gz VOSSZEHIYCDRIM-OAHLLOKOSA-N -1 1 339.395 2.175 20 0 EEADMM CCC(CC)(CC)C(=O)NC[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC001417069101 1396734704 /nfs/dbraw/zinc/73/47/04/1396734704.db2.gz MBTFUNQYDOZVLE-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc(F)c(C)c2)c1 ZINC001423591011 1400663356 /nfs/dbraw/zinc/66/33/56/1400663356.db2.gz OWWUPWPUOPFUGR-UHFFFAOYSA-N -1 1 325.361 2.327 20 0 EEADMM Cc1oc(C)c(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c1C ZINC001427521410 1402459786 /nfs/dbraw/zinc/45/97/86/1402459786.db2.gz WGZHATQMUVQSDA-SNVBAGLBSA-N -1 1 345.399 2.196 20 0 EEADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCC1)NC(=O)c1ncccc1[O-] ZINC001427635959 1402518344 /nfs/dbraw/zinc/51/83/44/1402518344.db2.gz JZFASGIETZCXOY-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)(C)CCC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427890573 1402551888 /nfs/dbraw/zinc/55/18/88/1402551888.db2.gz DESXCWABKKJISK-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)C[C@H](C)c1ccco1 ZINC001429013998 1402873993 /nfs/dbraw/zinc/87/39/93/1402873993.db2.gz PBYXLLOSQFGKEP-QWHCGFSZSA-N -1 1 345.399 2.199 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC001431217860 1403002554 /nfs/dbraw/zinc/00/25/54/1403002554.db2.gz CBORMSQFGXTCCN-HNNXBMFYSA-N -1 1 341.411 2.280 20 0 EEADMM COC(=O)c1ccc(N[C@H](C)c2cccs2)c(-c2nnn[n-]2)n1 ZINC001579484689 1403784115 /nfs/dbraw/zinc/78/41/15/1403784115.db2.gz IWNFDHUBGYOOJT-MRVPVSSYSA-N -1 1 330.373 2.283 20 0 EEADMM COC(=O)c1ccc(N[C@H](C)c2cccs2)c(-c2nn[n-]n2)n1 ZINC001579484689 1403784123 /nfs/dbraw/zinc/78/41/23/1403784123.db2.gz IWNFDHUBGYOOJT-MRVPVSSYSA-N -1 1 330.373 2.283 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cncc(-c2nnn[n-]2)n1 ZINC001579916460 1403797487 /nfs/dbraw/zinc/79/74/87/1403797487.db2.gz MTQFDCFHGSRCRX-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cncc(-c2nn[n-]n2)n1 ZINC001579916460 1403797492 /nfs/dbraw/zinc/79/74/92/1403797492.db2.gz MTQFDCFHGSRCRX-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1ncc(NC(=O)NC[C@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001580136264 1403833536 /nfs/dbraw/zinc/83/35/36/1403833536.db2.gz NPPPCVDNHXJXLE-WDEREUQCSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1ccc(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1F ZINC001581202774 1403877407 /nfs/dbraw/zinc/87/74/07/1403877407.db2.gz XFOJNYPWICVSPP-UHFFFAOYSA-N -1 1 325.347 2.013 20 0 EEADMM Cc1c(NCc2ccc(-c3nn[n-]n3)s2)cnn1C1CCOCC1 ZINC001591829713 1403952786 /nfs/dbraw/zinc/95/27/86/1403952786.db2.gz QEMVEGRSYYAESK-UHFFFAOYSA-N -1 1 345.432 2.397 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001591896373 1403969816 /nfs/dbraw/zinc/96/98/16/1403969816.db2.gz FFBWRNSFBFLKOB-DGCLKSJQSA-N -1 1 331.424 2.218 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCO[C@H]2C(C)(C)C)n1 ZINC001591896373 1403969821 /nfs/dbraw/zinc/96/98/21/1403969821.db2.gz FFBWRNSFBFLKOB-DGCLKSJQSA-N -1 1 331.424 2.218 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 ZINC001592415481 1404029841 /nfs/dbraw/zinc/02/98/41/1404029841.db2.gz CUSMFNDYMOFKQD-CYBMUJFWSA-N -1 1 346.427 2.021 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1-c1nnn[n-]1 ZINC001592480437 1404702132 /nfs/dbraw/zinc/70/21/32/1404702132.db2.gz MDGPFTGPPOSQJJ-ZJUUUORDSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001592480437 1404702137 /nfs/dbraw/zinc/70/21/37/1404702137.db2.gz MDGPFTGPPOSQJJ-ZJUUUORDSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1(C)CCC(F)(F)CC1 ZINC001592499277 1404703932 /nfs/dbraw/zinc/70/39/32/1404703932.db2.gz LBQJBKZXLJTBOU-UHFFFAOYSA-N -1 1 325.319 2.466 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1(C)CCC(F)(F)CC1 ZINC001592499277 1404703937 /nfs/dbraw/zinc/70/39/37/1404703937.db2.gz LBQJBKZXLJTBOU-UHFFFAOYSA-N -1 1 325.319 2.466 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1ccsc1 ZINC001592914067 1404729868 /nfs/dbraw/zinc/72/98/68/1404729868.db2.gz VNQIRABUTREOBI-CQSZACIVSA-N -1 1 340.412 2.229 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1ccsc1 ZINC001592914067 1404729873 /nfs/dbraw/zinc/72/98/73/1404729873.db2.gz VNQIRABUTREOBI-CQSZACIVSA-N -1 1 340.412 2.229 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2CCC(OC3CCCCC3)CC2)n1 ZINC001606019295 1404756363 /nfs/dbraw/zinc/75/63/63/1404756363.db2.gz CZDJPJBSYALOQE-UHFFFAOYSA-N -1 1 343.435 2.283 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2CCC(OC3CCCCC3)CC2)n1 ZINC001606019295 1404756365 /nfs/dbraw/zinc/75/63/65/1404756365.db2.gz CZDJPJBSYALOQE-UHFFFAOYSA-N -1 1 343.435 2.283 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001606065696 1404761342 /nfs/dbraw/zinc/76/13/42/1404761342.db2.gz ZXNIQEJOLNKPEB-BBRMVZONSA-N -1 1 337.387 2.155 20 0 EEADMM Cc1nc(N[C@@H](c2ccccc2)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001606065696 1404761345 /nfs/dbraw/zinc/76/13/45/1404761345.db2.gz ZXNIQEJOLNKPEB-BBRMVZONSA-N -1 1 337.387 2.155 20 0 EEADMM CN(C)c1ncc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1C ZINC001606068683 1404761372 /nfs/dbraw/zinc/76/13/72/1404761372.db2.gz UNGAEEORUBVFRD-LLVKDONJSA-N -1 1 349.460 2.020 20 0 EEADMM CN(CC(=O)[O-])C(=O)CCN1CCC[C@@H]1c1ccc(F)cc1F ZINC001606086939 1404764921 /nfs/dbraw/zinc/76/49/21/1404764921.db2.gz XGSLYJRYZKKJFU-CQSZACIVSA-N -1 1 326.343 2.035 20 0 EEADMM Cc1nsc(NC(=O)C(F)(F)c2ccccc2)c1-c1nnn[n-]1 ZINC001606148258 1404769068 /nfs/dbraw/zinc/76/90/68/1404769068.db2.gz CPCYZUXUJSVIJS-UHFFFAOYSA-N -1 1 336.327 2.362 20 0 EEADMM Cc1nsc(NC(=O)C(F)(F)c2ccccc2)c1-c1nn[n-]n1 ZINC001606148258 1404769071 /nfs/dbraw/zinc/76/90/71/1404769071.db2.gz CPCYZUXUJSVIJS-UHFFFAOYSA-N -1 1 336.327 2.362 20 0 EEADMM Cc1nsc(NC(=O)N(Cc2ccoc2)C2CC2)c1-c1nnn[n-]1 ZINC001606149351 1404769152 /nfs/dbraw/zinc/76/91/52/1404769152.db2.gz NURMUKPHOUIHFA-UHFFFAOYSA-N -1 1 345.388 2.421 20 0 EEADMM Cc1nsc(NC(=O)N(Cc2ccoc2)C2CC2)c1-c1nn[n-]n1 ZINC001606149351 1404769155 /nfs/dbraw/zinc/76/91/55/1404769155.db2.gz NURMUKPHOUIHFA-UHFFFAOYSA-N -1 1 345.388 2.421 20 0 EEADMM Cc1nsc(NC(=O)C2(C(F)F)CCCC2)c1-c1nnn[n-]1 ZINC001606148886 1404769505 /nfs/dbraw/zinc/76/95/05/1404769505.db2.gz YHLWKSHXNFRULS-UHFFFAOYSA-N -1 1 328.348 2.396 20 0 EEADMM Cc1nsc(NC(=O)C2(C(F)F)CCCC2)c1-c1nn[n-]n1 ZINC001606148886 1404769507 /nfs/dbraw/zinc/76/95/07/1404769507.db2.gz YHLWKSHXNFRULS-UHFFFAOYSA-N -1 1 328.348 2.396 20 0 EEADMM Clc1ccc(NCCOC2CCSCC2)nc1-c1nnn[n-]1 ZINC001606193354 1404775797 /nfs/dbraw/zinc/77/57/97/1404775797.db2.gz CVRVPRYUBILTIX-UHFFFAOYSA-N -1 1 340.840 2.239 20 0 EEADMM Clc1ccc(NCCOC2CCSCC2)nc1-c1nn[n-]n1 ZINC001606193354 1404775800 /nfs/dbraw/zinc/77/58/00/1404775800.db2.gz CVRVPRYUBILTIX-UHFFFAOYSA-N -1 1 340.840 2.239 20 0 EEADMM C[C@H](CCCNC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001756295370 1408298087 /nfs/dbraw/zinc/29/80/87/1408298087.db2.gz DVFNPDIOVADCPV-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001771795431 1409952018 /nfs/dbraw/zinc/95/20/18/1409952018.db2.gz GTYXAEHRRVNSRZ-CYBMUJFWSA-N -1 1 331.372 2.259 20 0 EEADMM Cc1c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n[nH]c1C(F)(F)F ZINC001772380069 1410158959 /nfs/dbraw/zinc/15/89/59/1410158959.db2.gz LELGRPYPKWRSKI-QMMMGPOBSA-N -1 1 331.294 2.064 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1C ZINC000942398825 782364332 /nfs/dbraw/zinc/36/43/32/782364332.db2.gz AXDPTLKZSFBCPD-OAHLLOKOSA-N -1 1 339.395 2.049 20 0 EEADMM Cc1conc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3O)C[C@@H]2C1 ZINC001087890563 782483922 /nfs/dbraw/zinc/48/39/22/782483922.db2.gz NLVHRNNPHJAOJY-CABCVRRESA-N -1 1 341.411 2.283 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001210678675 758092775 /nfs/dbraw/zinc/09/27/75/758092775.db2.gz VGVMFVHTONBMHP-OLZOCXBDSA-N -1 1 337.468 2.053 20 0 EEADMM CCCC(=O)N1CCC([C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001075444730 760263122 /nfs/dbraw/zinc/26/31/22/760263122.db2.gz JXVKCGGNOPDTPO-AWEZNQCLSA-N -1 1 349.479 2.151 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)CC(C)(C)C1 ZINC001089464741 769518980 /nfs/dbraw/zinc/51/89/80/769518980.db2.gz KPVYZPYQPRFCTD-CHWSQXEVSA-N -1 1 349.479 2.053 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)s1 ZINC000692802104 769735323 /nfs/dbraw/zinc/73/53/23/769735323.db2.gz LXNDJGFVAZJLHI-UHFFFAOYSA-N -1 1 335.813 2.372 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCN(Cc2ccccn2)CC1 ZINC000920432032 770717529 /nfs/dbraw/zinc/71/75/29/770717529.db2.gz CTRFRJKCDAJGIW-UHFFFAOYSA-N -1 1 331.803 2.399 20 0 EEADMM C[C@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673518 770828243 /nfs/dbraw/zinc/82/82/43/770828243.db2.gz PAZMQJNISJXGTO-AJNGGQMLSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2Cl)c1[O-] ZINC001027832283 770971873 /nfs/dbraw/zinc/97/18/73/770971873.db2.gz CBMQGSHZPSCRDG-ZDUSSCGKSA-N -1 1 348.834 2.472 20 0 EEADMM Cc1cnc([C@H](C)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001027844416 773435769 /nfs/dbraw/zinc/43/57/69/773435769.db2.gz QRJSUGFIMOVNJQ-QWHCGFSZSA-N -1 1 330.388 2.039 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000942757118 783142950 /nfs/dbraw/zinc/14/29/50/783142950.db2.gz VMHGLDBTMMTGKC-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H]1CCCC1(C)C ZINC000939116397 775563646 /nfs/dbraw/zinc/56/36/46/775563646.db2.gz ICKAVZARKNIURO-HZSPNIEDSA-N -1 1 345.443 2.190 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000027973187 775997904 /nfs/dbraw/zinc/99/79/04/775997904.db2.gz FBUIQFCFTPYQCQ-UHFFFAOYSA-N -1 1 329.853 2.321 20 0 EEADMM CC(C)c1nsc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001058879236 777140998 /nfs/dbraw/zinc/14/09/98/777140998.db2.gz UWRNANCPCIJZKP-JTQLQIEISA-N -1 1 333.417 2.089 20 0 EEADMM CC(C)CCO[C@@H](C)C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067079408 780550888 /nfs/dbraw/zinc/55/08/88/780550888.db2.gz HWOKUWFMFHAZIX-NSHDSACASA-N -1 1 326.466 2.385 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cnc3nccnc3c2)Cc2ccccc2C1 ZINC001167934899 780990798 /nfs/dbraw/zinc/99/07/98/780990798.db2.gz LTNGVCYEQGWKSX-UHFFFAOYSA-N -1 1 342.295 2.110 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1Cc1cccc(F)c1 ZINC001087544066 781786438 /nfs/dbraw/zinc/78/64/38/781786438.db2.gz SAQZYEHTWKBXAH-LSDHHAIUSA-N -1 1 346.406 2.346 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001035066701 783618021 /nfs/dbraw/zinc/61/80/21/783618021.db2.gz FJLSFPNGZVKCIS-LSDHHAIUSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)N(C)C ZINC000816106978 783679820 /nfs/dbraw/zinc/67/98/20/783679820.db2.gz AFLHTRQKGMAJMU-HZPDHXFCSA-N -1 1 340.489 2.416 20 0 EEADMM CC(C)(C(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001035070861 783713186 /nfs/dbraw/zinc/71/31/86/783713186.db2.gz SWYACHRDTGFWCO-CQSZACIVSA-N -1 1 349.479 2.197 20 0 EEADMM O=C([O-])c1cc(NC2CCN(Cc3ccc(F)cc3)CC2)ncn1 ZINC000906140738 783734353 /nfs/dbraw/zinc/73/43/53/783734353.db2.gz RAOCVHNOCJPFRX-UHFFFAOYSA-N -1 1 330.363 2.390 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)c1ccccc1 ZINC000945288175 783781715 /nfs/dbraw/zinc/78/17/15/783781715.db2.gz JTXRYHJDOYTIDV-HIFRSBDPSA-N -1 1 339.395 2.068 20 0 EEADMM CCC1(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC000945676664 784607964 /nfs/dbraw/zinc/60/79/64/784607964.db2.gz MCLPMUVTLVPYIY-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)COc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907474980 784643566 /nfs/dbraw/zinc/64/35/66/784643566.db2.gz JAXXSFAABMMLKB-AWEZNQCLSA-N -1 1 347.444 2.165 20 0 EEADMM Cc1cc(C)c(C=CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1C ZINC000907477757 784646717 /nfs/dbraw/zinc/64/67/17/784646717.db2.gz RYHNSQRVWCRBNV-MBVDDHJVSA-N -1 1 343.456 2.455 20 0 EEADMM O=S(=O)([N-]CC[C@H]1CCCC[C@H]1O)c1ccc(Cl)nc1F ZINC000907487299 784671658 /nfs/dbraw/zinc/67/16/58/784671658.db2.gz WCYYZLFEPUQUGB-NXEZZACHSA-N -1 1 336.816 2.094 20 0 EEADMM O=C(CC(C1CCC1)C1CCC1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907482873 784689645 /nfs/dbraw/zinc/68/96/45/784689645.db2.gz SLIFIMOEDRLXIB-AWEZNQCLSA-N -1 1 335.477 2.423 20 0 EEADMM CCOc1ccc(N2C[C@H](C(=O)[N-]OCCC3CC3)CC2=O)cc1 ZINC000817383749 784730934 /nfs/dbraw/zinc/73/09/34/784730934.db2.gz TYKZRIQQHCLUOC-CQSZACIVSA-N -1 1 332.400 2.286 20 0 EEADMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000907970420 784999061 /nfs/dbraw/zinc/99/90/61/784999061.db2.gz XKPJXVVRRIPLNW-JMGFVUJMSA-N -1 1 345.443 2.461 20 0 EEADMM CC(C)c1nccc(NC[C@H]2CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063474732 791089510 /nfs/dbraw/zinc/08/95/10/791089510.db2.gz RKJINLAXYYZFJG-CYBMUJFWSA-N -1 1 341.415 2.417 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-])c1ccsc1 ZINC000946108994 785567627 /nfs/dbraw/zinc/56/76/27/785567627.db2.gz IGQIZLRHYXNPBE-WCQYABFASA-N -1 1 345.424 2.177 20 0 EEADMM CC[C@@H](C(=O)Nc1cccc([O-])c1Br)N1CCCC1=O ZINC000908714021 785665779 /nfs/dbraw/zinc/66/57/79/785665779.db2.gz ZCWHFOLPAACWJO-JTQLQIEISA-N -1 1 341.205 2.494 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819826582 785686930 /nfs/dbraw/zinc/68/69/30/785686930.db2.gz KATBKEFINBDVDG-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM CC(=O)Nc1cccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819826582 785686939 /nfs/dbraw/zinc/68/69/39/785686939.db2.gz KATBKEFINBDVDG-UHFFFAOYSA-N -1 1 329.341 2.106 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000819877673 785694643 /nfs/dbraw/zinc/69/46/43/785694643.db2.gz ZUCLJRKEZMNIQM-ZCFIWIBFSA-N -1 1 337.796 2.057 20 0 EEADMM C[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000819877673 785694646 /nfs/dbraw/zinc/69/46/46/785694646.db2.gz ZUCLJRKEZMNIQM-ZCFIWIBFSA-N -1 1 337.796 2.057 20 0 EEADMM C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000908773790 785694645 /nfs/dbraw/zinc/69/46/45/785694645.db2.gz MTNZMCDXIMSLCS-HUUCEWRRSA-N -1 1 332.444 2.266 20 0 EEADMM Cc1cc(C)cc(-c2nnc(NC(=O)CCCc3nn[n-]n3)s2)c1 ZINC001146231220 791142190 /nfs/dbraw/zinc/14/21/90/791142190.db2.gz BLIKMTPOCGGRKK-UHFFFAOYSA-N -1 1 343.416 2.296 20 0 EEADMM CCN(CC)[C@@H](CNC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccco1 ZINC000908875701 785813897 /nfs/dbraw/zinc/81/38/97/785813897.db2.gz JCZFAZKIGAIWLY-KBPBESRZSA-N -1 1 337.420 2.215 20 0 EEADMM C/C=C/C[C@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908926829 785876161 /nfs/dbraw/zinc/87/61/61/785876161.db2.gz VGVMRJUYRQSUNI-NMONBKHDSA-N -1 1 349.431 2.444 20 0 EEADMM CC1(C)C[C@@H](NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000909725047 786201422 /nfs/dbraw/zinc/20/14/22/786201422.db2.gz OCUUFXXTYMAFOU-XJKSGUPXSA-N -1 1 330.428 2.322 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC000909864776 786301748 /nfs/dbraw/zinc/30/17/48/786301748.db2.gz IKLGCRXSBKYHRJ-IAQYHMDHSA-N -1 1 339.395 2.359 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)o2)C[C@H]1C1CC1 ZINC000909901176 786333549 /nfs/dbraw/zinc/33/35/49/786333549.db2.gz NRLOPOSUXMQFQN-JKSUJKDBSA-N -1 1 346.427 2.448 20 0 EEADMM Cc1cccc2c1CCC[C@H]2NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909992371 786389130 /nfs/dbraw/zinc/38/91/30/786389130.db2.gz UUQPYALKRIOEBD-RHSMWYFYSA-N -1 1 330.428 2.285 20 0 EEADMM C[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCC1 ZINC000910042365 786414539 /nfs/dbraw/zinc/41/45/39/786414539.db2.gz LEHVVUZCXBZKOE-UHFFFAOYSA-N -1 1 328.315 2.409 20 0 EEADMM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCC1 ZINC000910042365 786414545 /nfs/dbraw/zinc/41/45/45/786414545.db2.gz LEHVVUZCXBZKOE-UHFFFAOYSA-N -1 1 328.315 2.409 20 0 EEADMM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 ZINC000910115542 786461850 /nfs/dbraw/zinc/46/18/50/786461850.db2.gz ZDQLENJWAXGBDO-GFCCVEGCSA-N -1 1 332.385 2.419 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000910176806 786511523 /nfs/dbraw/zinc/51/15/23/786511523.db2.gz DDDJKCJYGAHRDT-UHFFFAOYSA-N -1 1 348.447 2.009 20 0 EEADMM COC1(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)CCCCCC1 ZINC000910222166 786533099 /nfs/dbraw/zinc/53/30/99/786533099.db2.gz STBBTSDOEXWZAO-UHFFFAOYSA-N -1 1 333.384 2.226 20 0 EEADMM CC(C)N1CCC[C@H]1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910234362 786544500 /nfs/dbraw/zinc/54/45/00/786544500.db2.gz UTNWAOVPXONWKC-FZMZJTMJSA-N -1 1 338.379 2.489 20 0 EEADMM Cc1conc1CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001036539681 786606416 /nfs/dbraw/zinc/60/64/16/786606416.db2.gz KCHJJHHUVBXRPD-SWLSCSKDSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1cc(CNC[C@@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])no1 ZINC001036540432 786610630 /nfs/dbraw/zinc/61/06/30/786610630.db2.gz VVZHXESKJYGCBN-IUODEOHRSA-N -1 1 344.415 2.114 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)c2ccco2)c1 ZINC000821352778 786711644 /nfs/dbraw/zinc/71/16/44/786711644.db2.gz ODHBVBLSUNFOFF-RULNZOCKSA-N -1 1 336.365 2.210 20 0 EEADMM CCOc1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821427444 786741895 /nfs/dbraw/zinc/74/18/95/786741895.db2.gz SVCRONHVKIXXNB-UHFFFAOYSA-N -1 1 325.328 2.223 20 0 EEADMM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000910428939 786759720 /nfs/dbraw/zinc/75/97/20/786759720.db2.gz VEBUYYYTJOKABH-LBPRGKRZSA-N -1 1 339.273 2.150 20 0 EEADMM COc1cccc([C@@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821860194 786941202 /nfs/dbraw/zinc/94/12/02/786941202.db2.gz YLXAPVUJFXEOPP-LLVKDONJSA-N -1 1 339.355 2.117 20 0 EEADMM COc1cccc([C@@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821860194 786941207 /nfs/dbraw/zinc/94/12/07/786941207.db2.gz YLXAPVUJFXEOPP-LLVKDONJSA-N -1 1 339.355 2.117 20 0 EEADMM CC1(C)CN(C(=O)[C@@H]2CCCC(C)(C)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996688026 787139813 /nfs/dbraw/zinc/13/98/13/787139813.db2.gz JQHYXBBLRYPSAN-CHWSQXEVSA-N -1 1 349.479 2.053 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cncc(N2CCOCC2)c1 ZINC000910983006 787162433 /nfs/dbraw/zinc/16/24/33/787162433.db2.gz ODLPOHWIVUWWSY-UHFFFAOYSA-N -1 1 335.310 2.154 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000911575373 787549163 /nfs/dbraw/zinc/54/91/63/787549163.db2.gz YVXAFVSUBHOMAH-VYDXJSESSA-N -1 1 348.418 2.375 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1Br ZINC000823855332 787964553 /nfs/dbraw/zinc/96/45/53/787964553.db2.gz OBFLZQBRKDJXBR-SECBINFHSA-N -1 1 344.209 2.198 20 0 EEADMM COc1ccc2oc(NC[C@@H](C)NC(=O)c3ncccc3[O-])nc2c1 ZINC001107690055 788069410 /nfs/dbraw/zinc/06/94/10/788069410.db2.gz JEOXLTZBEVMSRF-SNVBAGLBSA-N -1 1 342.355 2.167 20 0 EEADMM O=C(Nc1cnn([C@H]2CCCCO2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000912564497 788236692 /nfs/dbraw/zinc/23/66/92/788236692.db2.gz XQFFDEBZEBJREF-CYBMUJFWSA-N -1 1 344.400 2.166 20 0 EEADMM CCC[C@H](C)CC(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001062680959 788849538 /nfs/dbraw/zinc/84/95/38/788849538.db2.gz IQKWRKMIGCZUKM-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CC2(C)CCCC2)C1 ZINC001005947629 788975627 /nfs/dbraw/zinc/97/56/27/788975627.db2.gz APJDYMUEOBKQER-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2ccc(-c3ccon3)cc2)C1 ZINC000923218074 789151297 /nfs/dbraw/zinc/15/12/97/789151297.db2.gz MBCFROFIVFRKRX-CYBMUJFWSA-N -1 1 329.356 2.077 20 0 EEADMM Cc1nc(C)c(-c2csc(NC(=O)CCCc3nn[n-]n3)n2)s1 ZINC001144394289 789677585 /nfs/dbraw/zinc/67/75/85/789677585.db2.gz JUBBBRULNJTTIL-UHFFFAOYSA-N -1 1 349.445 2.358 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(c2nc3ccccc3o2)C1 ZINC001062922864 790018231 /nfs/dbraw/zinc/01/82/31/790018231.db2.gz BKQWGYXLTAAILE-LBPRGKRZSA-N -1 1 338.367 2.279 20 0 EEADMM CC1(C)CC(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ncccc2[O-])C1 ZINC000946191012 790044945 /nfs/dbraw/zinc/04/49/45/790044945.db2.gz DVNDWNQMZASEEB-TZMCWYRMSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)Cc1ccoc1 ZINC000806018545 790072799 /nfs/dbraw/zinc/07/27/99/790072799.db2.gz XSDKUSKLSOBKKW-UHFFFAOYSA-N -1 1 339.351 2.474 20 0 EEADMM COc1ccc([C@H]2C[C@H](Nc3[n-]c(=O)nc4nc[nH]c43)CCO2)cc1 ZINC001168609283 791455822 /nfs/dbraw/zinc/45/58/22/791455822.db2.gz NEZZRQHIKHAPCP-DGCLKSJQSA-N -1 1 341.371 2.399 20 0 EEADMM C[C@@H](Nc1cc(F)ncn1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001063881802 791878330 /nfs/dbraw/zinc/87/83/30/791878330.db2.gz ZFHYYVFNJSKYIE-VXGBXAGGSA-N -1 1 345.378 2.069 20 0 EEADMM O=C(c1ccco1)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000143154383 793200804 /nfs/dbraw/zinc/20/08/04/793200804.db2.gz LGEVUFMXCUUPRT-UHFFFAOYSA-N -1 1 334.759 2.237 20 0 EEADMM C[C@@H]1C[C@@H](Nc2ncc(Cl)cn2)CCN1C(=O)c1ncccc1[O-] ZINC001064766872 793695154 /nfs/dbraw/zinc/69/51/54/793695154.db2.gz SHKDNHJLORKOLF-PWSUYJOCSA-N -1 1 347.806 2.336 20 0 EEADMM C[C@H](C[C@@H](C)Nc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001089272610 793927400 /nfs/dbraw/zinc/92/74/00/793927400.db2.gz PTHMPJGNFDMXRY-NXEZZACHSA-N -1 1 335.795 2.240 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C(F)(F)c1cccc(Cl)c1 ZINC000913743540 794205760 /nfs/dbraw/zinc/20/57/60/794205760.db2.gz ZYDJCWMFEZVXGF-UHFFFAOYSA-N -1 1 341.749 2.351 20 0 EEADMM CC(C)(C)Oc1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743601 794206255 /nfs/dbraw/zinc/20/62/55/794206255.db2.gz CJDXHQHIEXIVPF-UHFFFAOYSA-N -1 1 329.404 2.397 20 0 EEADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(Cc2ccccc2F)CC1 ZINC000913744424 794209784 /nfs/dbraw/zinc/20/97/84/794209784.db2.gz NOHFMLMZIVPYFI-UHFFFAOYSA-N -1 1 329.379 2.068 20 0 EEADMM O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744561 794210696 /nfs/dbraw/zinc/21/06/96/794210696.db2.gz UCWFJFMQLAONNU-UHFFFAOYSA-N -1 1 343.284 2.377 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]2C)c1[O-] ZINC001079573665 794950633 /nfs/dbraw/zinc/95/06/33/794950633.db2.gz KRXZGBLEMCFYJD-IFUGULHKSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1nc(C)c(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C)o1 ZINC000993235818 796154812 /nfs/dbraw/zinc/15/48/12/796154812.db2.gz AAFZGODSUBYJNG-JSGCOSHPSA-N -1 1 344.415 2.175 20 0 EEADMM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cnc(OC)s2)n1 ZINC000916385334 797598486 /nfs/dbraw/zinc/59/84/86/797598486.db2.gz RYHPIRDKPWTLBI-SSDOTTSWSA-N -1 1 333.460 2.210 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001002144125 797621440 /nfs/dbraw/zinc/62/14/40/797621440.db2.gz AXGMAKWKMGUZMG-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1nsc(N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061074696 797925313 /nfs/dbraw/zinc/92/53/13/797925313.db2.gz IBLDWPSATUZTDB-QWRGUYRKSA-N -1 1 333.417 2.100 20 0 EEADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cc(N)ccc3N)c2)o1 ZINC001175996716 798311731 /nfs/dbraw/zinc/31/17/31/798311731.db2.gz FSIWCWOMBIJYRU-UHFFFAOYSA-N -1 1 345.384 2.010 20 0 EEADMM CC(C)c1cccc(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)n1 ZINC001178444206 799455287 /nfs/dbraw/zinc/45/52/87/799455287.db2.gz HHJUUDFAPWYCJG-UHFFFAOYSA-N -1 1 344.375 2.346 20 0 EEADMM CCCCCC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065847235 799630772 /nfs/dbraw/zinc/63/07/72/799630772.db2.gz NBFYOBPXYBOFQA-CQSZACIVSA-N -1 1 333.432 2.478 20 0 EEADMM Cc1cc2c(cc1C)O[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C2 ZINC000786387603 806764920 /nfs/dbraw/zinc/76/49/20/806764920.db2.gz WHNYMCPRQLHVPB-CYBMUJFWSA-N -1 1 345.317 2.219 20 0 EEADMM O=C(NC1CCN(C(=O)c2ccoc2Cl)CC1)c1ncccc1[O-] ZINC000946571716 799760802 /nfs/dbraw/zinc/76/08/02/799760802.db2.gz YCVPRCMLVIRTFF-UHFFFAOYSA-N -1 1 349.774 2.068 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079438 799975795 /nfs/dbraw/zinc/97/57/95/799975795.db2.gz YYUQJPWIUVSHNR-YGLIYXGISA-N -1 1 331.416 2.254 20 0 EEADMM O=C(CCNC(=O)c1ccc2ccc(O)cc2c1[O-])N1CCCCC1 ZINC000828170251 800618249 /nfs/dbraw/zinc/61/82/49/800618249.db2.gz JCWWPBYFXLYMJK-UHFFFAOYSA-N -1 1 342.395 2.383 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2Cc2ccc(C)cc2)c1[O-] ZINC001085550061 800760080 /nfs/dbraw/zinc/76/00/80/800760080.db2.gz KBZBWADLWPWGQU-OAHLLOKOSA-N -1 1 328.416 2.079 20 0 EEADMM CN(C[C@@H]1CCN1Cc1ccc(Cl)nc1)C(=O)c1ncccc1[O-] ZINC001085562549 800788092 /nfs/dbraw/zinc/78/80/92/800788092.db2.gz OGDDKDRTBVEMIY-ZDUSSCGKSA-N -1 1 346.818 2.182 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC001004075509 800917909 /nfs/dbraw/zinc/91/79/09/800917909.db2.gz 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CCNC(=O)C(C)(C)CNC(=O)c1cc(Br)ccc1[O-] ZINC000155119151 528021919 /nfs/dbraw/zinc/02/19/19/528021919.db2.gz MOPJINMTSBKIQD-UHFFFAOYSA-N -1 1 343.221 2.047 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1c(C)[n-]c(=O)nc1SC ZINC000178091542 529114900 /nfs/dbraw/zinc/11/49/00/529114900.db2.gz PXZUQMRLRHGHLA-WDEREUQCSA-N -1 1 339.461 2.124 20 0 EEADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451268662 535311104 /nfs/dbraw/zinc/31/11/04/535311104.db2.gz PNWWRPSNMAVKOP-MRVPVSSYSA-N -1 1 325.839 2.268 20 0 EEADMM CC[C@@H](C)Oc1ccccc1C=CC(=O)NC(C)(C)c1nn[n-]n1 ZINC000491928119 535630424 /nfs/dbraw/zinc/63/04/24/535630424.db2.gz GKTAAXFKKDCYPQ-HCRIHEDKSA-N -1 1 329.404 2.442 20 0 EEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc3cc(C)c(C)cc23)C1=O ZINC000193132754 536073069 /nfs/dbraw/zinc/07/30/69/536073069.db2.gz JKFFMPHGNQPWSE-QGZVFWFLSA-N -1 1 329.356 2.415 20 0 EEADMM COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc2c1OCCO2 ZINC000426782044 536811128 /nfs/dbraw/zinc/81/11/28/536811128.db2.gz 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COC(=O)[C@H](CC(F)F)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000762348488 577699655 /nfs/dbraw/zinc/69/96/55/577699655.db2.gz CQGILNHETXYNHG-JTQLQIEISA-N -1 1 337.269 2.100 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2ccccc2C(=O)N(C)C)[n-]1 ZINC000751253517 577749945 /nfs/dbraw/zinc/74/99/45/577749945.db2.gz GFXZMSQBFXMYPD-UHFFFAOYSA-N -1 1 337.401 2.003 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2ccccc2C(=O)N(C)C)c[n-]1 ZINC000751253517 577749946 /nfs/dbraw/zinc/74/99/46/577749946.db2.gz GFXZMSQBFXMYPD-UHFFFAOYSA-N -1 1 337.401 2.003 20 0 EEADMM O=S(=O)([N-][C@@H](CCO)c1cccs1)c1cccc(F)c1F ZINC000751437895 577752484 /nfs/dbraw/zinc/75/24/84/577752484.db2.gz SGDKCIUFYZZDRJ-JTQLQIEISA-N -1 1 333.381 2.428 20 0 EEADMM CCOC(=O)NCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000751897671 577761887 /nfs/dbraw/zinc/76/18/87/577761887.db2.gz KDUPZKPSRUCVGQ-UHFFFAOYSA-N -1 1 349.339 2.068 20 0 EEADMM CC(=O)c1ccccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000757496280 577859896 /nfs/dbraw/zinc/85/98/96/577859896.db2.gz 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O=C([O-])[C@H]1CC12CCN([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000739373827 578050827 /nfs/dbraw/zinc/05/08/27/578050827.db2.gz KOXLOVSFCCLZOO-HZPDHXFCSA-N -1 1 328.412 2.193 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000739638950 578061882 /nfs/dbraw/zinc/06/18/82/578061882.db2.gz HUVWYDNFEISYNO-GOEBONIOSA-N -1 1 334.391 2.428 20 0 EEADMM CC(C)COc1ccc(CC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000735839019 578170730 /nfs/dbraw/zinc/17/07/30/578170730.db2.gz YMZDNNVDNCSODH-UHFFFAOYSA-N -1 1 343.431 2.183 20 0 EEADMM CCC(CC)[C@H](O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736338633 578196904 /nfs/dbraw/zinc/19/69/04/578196904.db2.gz ZESLBAHEEWFSMO-CYBMUJFWSA-N -1 1 327.392 2.019 20 0 EEADMM CCC(CC)[C@H](O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736338633 578196905 /nfs/dbraw/zinc/19/69/05/578196905.db2.gz ZESLBAHEEWFSMO-CYBMUJFWSA-N -1 1 327.392 2.019 20 0 EEADMM CC(C)[C@@H](CNC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000736353449 578197924 /nfs/dbraw/zinc/19/79/24/578197924.db2.gz ODTOREYBIDEMCR-DLBZAZTESA-N -1 1 332.444 2.339 20 0 EEADMM C[C@H](CN(CN1C[C@@H](c2cccc(F)c2)CC1=O)C1CC1)C(=O)[O-] ZINC000736583109 578213132 /nfs/dbraw/zinc/21/31/32/578213132.db2.gz KJNFWYODDQBLRO-OCCSQVGLSA-N -1 1 334.391 2.284 20 0 EEADMM C[C@H]1CN(CCCNC(=O)c2ccccc2NC(=O)[O-])C[C@H](C)O1 ZINC000736808147 578224978 /nfs/dbraw/zinc/22/49/78/578224978.db2.gz IWIDBCPLMYFNRF-STQMWFEESA-N -1 1 335.404 2.006 20 0 EEADMM CCCOc1cccc(CNC(=O)CNC2(C(=O)[O-])CCCCC2)c1 ZINC000737034537 578234233 /nfs/dbraw/zinc/23/42/33/578234233.db2.gz MYTCKIYCHDSMPQ-UHFFFAOYSA-N -1 1 348.443 2.469 20 0 EEADMM COc1cc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)ccn1 ZINC000737047644 578235062 /nfs/dbraw/zinc/23/50/62/578235062.db2.gz OCZJSEAUVPYGRL-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1cc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)ccn1 ZINC000737047644 578235063 /nfs/dbraw/zinc/23/50/63/578235063.db2.gz OCZJSEAUVPYGRL-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM CSc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737190884 578242999 /nfs/dbraw/zinc/24/29/99/578242999.db2.gz JQOCWAAMWMBBJP-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM CSc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737190884 578243000 /nfs/dbraw/zinc/24/30/00/578243000.db2.gz JQOCWAAMWMBBJP-UHFFFAOYSA-N -1 1 326.385 2.260 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCC1CC1 ZINC000737546268 578263420 /nfs/dbraw/zinc/26/34/20/578263420.db2.gz COROFSGREBWRIY-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCC1CC1 ZINC000737546268 578263421 /nfs/dbraw/zinc/26/34/21/578263421.db2.gz COROFSGREBWRIY-UHFFFAOYSA-N -1 1 340.387 2.479 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026691 578277020 /nfs/dbraw/zinc/27/70/20/578277020.db2.gz UNAWONSNWOADQM-GOEBONIOSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026691 578277021 /nfs/dbraw/zinc/27/70/21/578277021.db2.gz UNAWONSNWOADQM-GOEBONIOSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCc2sccc21 ZINC000823436342 607358951 /nfs/dbraw/zinc/35/89/51/607358951.db2.gz QPRFSFGLFVCTQH-GFCCVEGCSA-N -1 1 341.396 2.487 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCc2sccc21 ZINC000823436342 607358953 /nfs/dbraw/zinc/35/89/53/607358953.db2.gz QPRFSFGLFVCTQH-GFCCVEGCSA-N -1 1 341.396 2.487 20 0 EEADMM Cc1nc(C2(NCc3ccc(-c4nnn[n-]4)o3)CCCCC2)no1 ZINC000822431583 599423603 /nfs/dbraw/zinc/42/36/03/599423603.db2.gz AXVXVMJMTCCLQO-UHFFFAOYSA-N -1 1 329.364 2.100 20 0 EEADMM Cc1nc(C2(NCc3ccc(-c4nn[n-]n4)o3)CCCCC2)no1 ZINC000822431583 599423604 /nfs/dbraw/zinc/42/36/04/599423604.db2.gz AXVXVMJMTCCLQO-UHFFFAOYSA-N -1 1 329.364 2.100 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccco2)C1 ZINC000820716020 599547831 /nfs/dbraw/zinc/54/78/31/599547831.db2.gz GOOAJEGFVXUBRH-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccco2)C1 ZINC000820716020 599547833 /nfs/dbraw/zinc/54/78/33/599547833.db2.gz GOOAJEGFVXUBRH-RISCZKNCSA-N -1 1 338.371 2.468 20 0 EEADMM Cc1ccc(Oc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2)nn1 ZINC000822267248 599589062 /nfs/dbraw/zinc/58/90/62/599589062.db2.gz PPNOBKBHOASDQW-UHFFFAOYSA-N -1 1 347.342 2.291 20 0 EEADMM Cc1ccc(Oc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2)nn1 ZINC000822267248 599589065 /nfs/dbraw/zinc/58/90/65/599589065.db2.gz PPNOBKBHOASDQW-UHFFFAOYSA-N -1 1 347.342 2.291 20 0 EEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826316426 607391497 /nfs/dbraw/zinc/39/14/97/607391497.db2.gz NUFQLJFABCWXME-RYUDHWBXSA-N -1 1 341.396 2.479 20 0 EEADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826316426 607391499 /nfs/dbraw/zinc/39/14/99/607391499.db2.gz NUFQLJFABCWXME-RYUDHWBXSA-N -1 1 341.396 2.479 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2ccnn2C(C)C)c1C(=O)[O-] ZINC000386940631 600053118 /nfs/dbraw/zinc/05/31/18/600053118.db2.gz PNWWKUFYNWDEHA-UHFFFAOYSA-N -1 1 327.362 2.173 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000830581803 600899735 /nfs/dbraw/zinc/89/97/35/600899735.db2.gz ROXSBEZNWXCUPD-IJEWVQPXSA-N -1 1 336.407 2.436 20 0 EEADMM C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)N(C)Cc1ccccc1 ZINC000825983207 600952783 /nfs/dbraw/zinc/95/27/83/600952783.db2.gz SOQMOEOEUPRAGY-GOEBONIOSA-N -1 1 330.428 2.220 20 0 EEADMM CC1(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)COC1 ZINC000828089111 600986165 /nfs/dbraw/zinc/98/61/65/600986165.db2.gz RRQSDGQMWWVSJC-OAHLLOKOSA-N -1 1 338.835 2.120 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC000828720336 600994417 /nfs/dbraw/zinc/99/44/17/600994417.db2.gz WHBGEHDPGNZIBY-BLLLJJGKSA-N -1 1 336.407 2.410 20 0 EEADMM C[C@@H](O)CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000827796025 601001776 /nfs/dbraw/zinc/00/17/76/601001776.db2.gz JLKQSIKFXZQHPS-YGRLFVJLSA-N -1 1 347.242 2.118 20 0 EEADMM C[C@@](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000827728320 601038139 /nfs/dbraw/zinc/03/81/39/601038139.db2.gz RBLLOOUYUSPCPQ-AWEZNQCLSA-N -1 1 346.305 2.367 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000833105986 601356163 /nfs/dbraw/zinc/35/61/63/601356163.db2.gz NTKVUSPRIAGUNG-GOSISDBHSA-N -1 1 332.400 2.216 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000314255153 601357109 /nfs/dbraw/zinc/35/71/09/601357109.db2.gz RLXDUOOFEWLUGV-UHFFFAOYSA-N -1 1 341.366 2.034 20 0 EEADMM O=C([O-])c1nn(CN2CCC[C@@H]2Cn2cccn2)c2ccccc21 ZINC000833347035 601400963 /nfs/dbraw/zinc/40/09/63/601400963.db2.gz RTXFRTAQZPPTQG-CYBMUJFWSA-N -1 1 325.372 2.053 20 0 EEADMM C[C@@H](C(=O)N(C)C1CCCCC1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825971594 601923538 /nfs/dbraw/zinc/92/35/38/601923538.db2.gz ADVBBRGVPYCZGU-GXTWGEPZSA-N -1 1 328.478 2.058 20 0 EEADMM C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000827967059 601937529 /nfs/dbraw/zinc/93/75/29/601937529.db2.gz YTLQBTLKPHGFLL-PIGZYNQJSA-N -1 1 342.403 2.055 20 0 EEADMM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000832902041 602018489 /nfs/dbraw/zinc/01/84/89/602018489.db2.gz CTGPIYOVQMADNB-LBPRGKRZSA-N -1 1 329.356 2.240 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)c(Cl)c1 ZINC000131236974 602156636 /nfs/dbraw/zinc/15/66/36/602156636.db2.gz OPKDBFBLBQATNR-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC(CC(=O)[O-])CC3)n[nH]2)c1 ZINC000832510364 602194637 /nfs/dbraw/zinc/19/46/37/602194637.db2.gz ISWPFLSKLJFRQK-UHFFFAOYSA-N -1 1 343.383 2.412 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832424959 602309775 /nfs/dbraw/zinc/30/97/75/602309775.db2.gz LSCDWMKWUOBVBO-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM Cc1cccc(C[C@@H](CNC(=O)CN2CCC(C)CC2)C(=O)[O-])c1 ZINC000832969387 602362748 /nfs/dbraw/zinc/36/27/48/602362748.db2.gz LYLZMKKYGRJKKB-KRWDZBQOSA-N -1 1 332.444 2.086 20 0 EEADMM CCCC(O)(CCC)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825242181 607613128 /nfs/dbraw/zinc/61/31/28/607613128.db2.gz KGVADAVAAYZXJD-UHFFFAOYSA-N -1 1 333.392 2.026 20 0 EEADMM CCCC(O)(CCC)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825242181 607613129 /nfs/dbraw/zinc/61/31/29/607613129.db2.gz KGVADAVAAYZXJD-UHFFFAOYSA-N -1 1 333.392 2.026 20 0 EEADMM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833287912 604305678 /nfs/dbraw/zinc/30/56/78/604305678.db2.gz QGJABQCUYBZQCW-CQSZACIVSA-N -1 1 343.387 2.419 20 0 EEADMM CC(C)(CC(=O)[O-])NCc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000826538290 604440797 /nfs/dbraw/zinc/44/07/97/604440797.db2.gz OCTFIUUZRWHPLS-UHFFFAOYSA-N -1 1 329.278 2.497 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)NC3CN(C(=O)[O-])C3)[nH]c2c1 ZINC000830433520 604607908 /nfs/dbraw/zinc/60/79/08/604607908.db2.gz VWRGOZVAXNJUDJ-AWEZNQCLSA-N -1 1 343.387 2.080 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)[nH]c21 ZINC000833717348 605059402 /nfs/dbraw/zinc/05/94/02/605059402.db2.gz ZENQVGZPRPQROL-VHSXEESVSA-N -1 1 345.355 2.179 20 0 EEADMM CC(C)Oc1ccccc1[C@@H](C)NCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833507601 605069799 /nfs/dbraw/zinc/06/97/99/605069799.db2.gz WNVCVKREBZNFOL-CQSZACIVSA-N -1 1 348.443 2.448 20 0 EEADMM CCc1ccc([C@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833671206 605115723 /nfs/dbraw/zinc/11/57/23/605115723.db2.gz SYGYREGZQSBHOF-GJZGRUSLSA-N -1 1 332.444 2.360 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833479489 605135279 /nfs/dbraw/zinc/13/52/79/605135279.db2.gz MUQHXAAMHSJDJG-CHWSQXEVSA-N -1 1 349.435 2.070 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc2ccccc2c1O ZINC000833625203 605158827 /nfs/dbraw/zinc/15/88/27/605158827.db2.gz KCBAUMBSRZESRK-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM CC(C)[C@@H](C(=O)OCCOc1ccccc1C(=O)[O-])N1CCCC1 ZINC000833464923 605188945 /nfs/dbraw/zinc/18/89/45/605188945.db2.gz DOOCFPKQAXELGW-INIZCTEOSA-N -1 1 335.400 2.427 20 0 EEADMM COc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])nc3)[nH]n2)c1 ZINC000833734653 605249372 /nfs/dbraw/zinc/24/93/72/605249372.db2.gz BSKMOSIUDLMJOB-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM CC(C)Oc1cccc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC000833506767 605275944 /nfs/dbraw/zinc/27/59/44/605275944.db2.gz KVJWOJJDCRSIGF-HNNXBMFYSA-N -1 1 348.443 2.024 20 0 EEADMM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(C(=O)[O-])ccc1F)CC2 ZINC000833660890 605835718 /nfs/dbraw/zinc/83/57/18/605835718.db2.gz RKFLCDRZTVHYSC-JKSUJKDBSA-N -1 1 337.391 2.276 20 0 EEADMM COC[C@](C)(CC(=O)OC)NCc1cc(C(=O)[O-])ccc1Cl ZINC000833721669 605841832 /nfs/dbraw/zinc/84/18/32/605841832.db2.gz QSTRCMFXGMCYLY-HNNXBMFYSA-N -1 1 329.780 2.096 20 0 EEADMM O=C(OCCn1ncc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823414091 606179573 /nfs/dbraw/zinc/17/95/73/606179573.db2.gz SCNDWMPKRUWKQJ-UHFFFAOYSA-N -1 1 340.368 2.135 20 0 EEADMM O=C(OCCn1ncc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823414091 606179574 /nfs/dbraw/zinc/17/95/74/606179574.db2.gz SCNDWMPKRUWKQJ-UHFFFAOYSA-N -1 1 340.368 2.135 20 0 EEADMM CN(C)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821591127 606180489 /nfs/dbraw/zinc/18/04/89/606180489.db2.gz XESXMVJVMHENJO-UHFFFAOYSA-N -1 1 329.385 2.351 20 0 EEADMM CN(C)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821591127 606180490 /nfs/dbraw/zinc/18/04/90/606180490.db2.gz XESXMVJVMHENJO-UHFFFAOYSA-N -1 1 329.385 2.351 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1cnn(Cc2ccccn2)c1 ZINC000823786722 606418009 /nfs/dbraw/zinc/41/80/09/606418009.db2.gz CSRHYODZYBSBDM-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2ccc(F)cc2s1 ZINC000823289148 606532500 /nfs/dbraw/zinc/53/25/00/606532500.db2.gz CSFKKIBPYSCHIS-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccc(F)cc2s1 ZINC000823289148 606532502 /nfs/dbraw/zinc/53/25/02/606532502.db2.gz CSFKKIBPYSCHIS-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139789 606553295 /nfs/dbraw/zinc/55/32/95/606553295.db2.gz MNGWTKKNEWQKRY-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139789 606553297 /nfs/dbraw/zinc/55/32/97/606553297.db2.gz MNGWTKKNEWQKRY-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000820853784 606569555 /nfs/dbraw/zinc/56/95/55/606569555.db2.gz PEIABFVYWFPYSR-CYBMUJFWSA-N -1 1 334.430 2.440 20 0 EEADMM CC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000820853784 606569557 /nfs/dbraw/zinc/56/95/57/606569557.db2.gz PEIABFVYWFPYSR-CYBMUJFWSA-N -1 1 334.430 2.440 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820938914 606648926 /nfs/dbraw/zinc/64/89/26/606648926.db2.gz OOGLYUOLZSSLRR-AWEZNQCLSA-N -1 1 331.376 2.043 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820938914 606648927 /nfs/dbraw/zinc/64/89/27/606648927.db2.gz OOGLYUOLZSSLRR-AWEZNQCLSA-N -1 1 331.376 2.043 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CC2CCSCC2)n1 ZINC000819972060 606810228 /nfs/dbraw/zinc/81/02/28/606810228.db2.gz ZHXPOJQLZKMKET-UHFFFAOYSA-N -1 1 349.464 2.290 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CC2CCSCC2)n1 ZINC000819972060 606810230 /nfs/dbraw/zinc/81/02/30/606810230.db2.gz ZHXPOJQLZKMKET-UHFFFAOYSA-N -1 1 349.464 2.290 20 0 EEADMM C[C@H](O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000824705518 607849318 /nfs/dbraw/zinc/84/93/18/607849318.db2.gz CGPQDYXKOKEZIQ-NSHDSACASA-N -1 1 344.806 2.303 20 0 EEADMM C[C@H](O)CN(Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000824705518 607849319 /nfs/dbraw/zinc/84/93/19/607849319.db2.gz CGPQDYXKOKEZIQ-NSHDSACASA-N -1 1 344.806 2.303 20 0 EEADMM Cc1cnccc1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000826319838 607851463 /nfs/dbraw/zinc/85/14/63/607851463.db2.gz VKTNVJLWBUSXFO-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cnccc1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000826319838 607851464 /nfs/dbraw/zinc/85/14/64/607851464.db2.gz VKTNVJLWBUSXFO-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1cnc(CCN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000826318377 607855306 /nfs/dbraw/zinc/85/53/06/607855306.db2.gz GOEVKYLERFCDGC-UHFFFAOYSA-N -1 1 334.430 2.008 20 0 EEADMM Cc1cnc(CCN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000826318377 607855307 /nfs/dbraw/zinc/85/53/07/607855307.db2.gz GOEVKYLERFCDGC-UHFFFAOYSA-N -1 1 334.430 2.008 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824936911 607864109 /nfs/dbraw/zinc/86/41/09/607864109.db2.gz NDOSGRUXMITDLJ-YPMHNXCESA-N -1 1 347.394 2.422 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824936911 607864110 /nfs/dbraw/zinc/86/41/10/607864110.db2.gz NDOSGRUXMITDLJ-YPMHNXCESA-N -1 1 347.394 2.422 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824936909 607864236 /nfs/dbraw/zinc/86/42/36/607864236.db2.gz NDOSGRUXMITDLJ-WCQYABFASA-N -1 1 347.394 2.422 20 0 EEADMM C[C@H]1CCCC[C@H]1N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824936909 607864237 /nfs/dbraw/zinc/86/42/37/607864237.db2.gz NDOSGRUXMITDLJ-WCQYABFASA-N -1 1 347.394 2.422 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825966266 607894935 /nfs/dbraw/zinc/89/49/35/607894935.db2.gz VRSHKQKRWXQFLQ-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM CN(Cc1ccc(OC(F)F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825966266 607894936 /nfs/dbraw/zinc/89/49/36/607894936.db2.gz VRSHKQKRWXQFLQ-UHFFFAOYSA-N -1 1 332.314 2.500 20 0 EEADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825148732 607997770 /nfs/dbraw/zinc/99/77/70/607997770.db2.gz SSWHXDGMWNEALW-CYBMUJFWSA-N -1 1 338.371 2.402 20 0 EEADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826321955 608206786 /nfs/dbraw/zinc/20/67/86/608206786.db2.gz VIAWSXRAAUZXCU-SNVBAGLBSA-N -1 1 343.416 2.245 20 0 EEADMM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826321955 608206788 /nfs/dbraw/zinc/20/67/88/608206788.db2.gz VIAWSXRAAUZXCU-SNVBAGLBSA-N -1 1 343.416 2.245 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccn2)cc1 ZINC000826521019 608390738 /nfs/dbraw/zinc/39/07/38/608390738.db2.gz XNCGKLTYOZKNPQ-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccn2)cc1 ZINC000826521019 608390740 /nfs/dbraw/zinc/39/07/40/608390740.db2.gz XNCGKLTYOZKNPQ-INIZCTEOSA-N -1 1 330.355 2.253 20 0 EEADMM CN(CCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nn1 ZINC000825946113 608410607 /nfs/dbraw/zinc/41/06/07/608410607.db2.gz JNJXXKXYXWFKIX-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CN(CCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nn1 ZINC000825946113 608410608 /nfs/dbraw/zinc/41/06/08/608410608.db2.gz JNJXXKXYXWFKIX-UHFFFAOYSA-N -1 1 331.383 2.489 20 0 EEADMM CCCCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC000825291607 608427633 /nfs/dbraw/zinc/42/76/33/608427633.db2.gz UYVMOIGNVSMQOF-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CCCCO[C@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC000825291607 608427635 /nfs/dbraw/zinc/42/76/35/608427635.db2.gz UYVMOIGNVSMQOF-OLZOCXBDSA-N -1 1 331.424 2.077 20 0 EEADMM CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1nc2c(s1)CCCC2 ZINC000825962025 608693942 /nfs/dbraw/zinc/69/39/42/608693942.db2.gz QOVFYVIYLZIWQF-UHFFFAOYSA-N -1 1 330.417 2.427 20 0 EEADMM CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1nc2c(s1)CCCC2 ZINC000825962025 608693943 /nfs/dbraw/zinc/69/39/43/608693943.db2.gz QOVFYVIYLZIWQF-UHFFFAOYSA-N -1 1 330.417 2.427 20 0 EEADMM Fc1cccc(OCc2ncn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826377656 608888417 /nfs/dbraw/zinc/88/84/17/608888417.db2.gz ACEFCJRBRHZWCF-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1cccc(OCc2ncn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826377656 608888419 /nfs/dbraw/zinc/88/84/19/608888419.db2.gz ACEFCJRBRHZWCF-UHFFFAOYSA-N -1 1 337.318 2.166 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000826376017 609169971 /nfs/dbraw/zinc/16/99/71/609169971.db2.gz LBXKHIWBRNBKCG-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000826376017 609169973 /nfs/dbraw/zinc/16/99/73/609169973.db2.gz LBXKHIWBRNBKCG-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCCC12OCCO2 ZINC000866838194 674581244 /nfs/dbraw/zinc/58/12/44/674581244.db2.gz JVLPOQJNDVWLQN-CQSZACIVSA-N -1 1 325.792 2.390 20 0 EEADMM COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000866837786 674579854 /nfs/dbraw/zinc/57/98/54/674579854.db2.gz DYWHHOMHVCFELM-NSHDSACASA-N -1 1 347.339 2.238 20 0 EEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@H]1CCO[C@@H]1C ZINC000092213203 674707153 /nfs/dbraw/zinc/70/71/53/674707153.db2.gz ITPOWTIRZCSYFE-YPMHNXCESA-N -1 1 345.424 2.305 20 0 EEADMM CCc1nc(CN2CC([C@H](C)NC(=O)c3ncccc3[O-])C2)cs1 ZINC000969545931 675100405 /nfs/dbraw/zinc/10/04/05/675100405.db2.gz GYFWZAXULJALRK-NSHDSACASA-N -1 1 346.456 2.056 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1cscn1 ZINC000947236773 676034635 /nfs/dbraw/zinc/03/46/35/676034635.db2.gz WUAOBXHTYMBUGI-VXGBXAGGSA-N -1 1 332.429 2.027 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000891084722 676034836 /nfs/dbraw/zinc/03/48/36/676034836.db2.gz SQVIRSJUXZTJFZ-UKRRQHHQSA-N -1 1 327.384 2.002 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001020599889 675238238 /nfs/dbraw/zinc/23/82/38/675238238.db2.gz XXSUICAJAZJKSU-YJNKXOJESA-N -1 1 345.443 2.189 20 0 EEADMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1sc(N)nc1[O-] ZINC000079765531 675444934 /nfs/dbraw/zinc/44/49/34/675444934.db2.gz KKPXFSQPCBMYPX-YPMHNXCESA-N -1 1 333.457 2.206 20 0 EEADMM C[C@@H](C(=O)[N-]NC(=O)c1cccc(OC(F)F)c1)C(F)(F)F ZINC000080005844 675452504 /nfs/dbraw/zinc/45/25/04/675452504.db2.gz KKCMMHYMPHIKCG-LURJTMIESA-N -1 1 326.221 2.247 20 0 EEADMM COc1cc([C@H](C)NC(=O)CCc2nn[n-]n2)cc2ccccc21 ZINC000890793531 675649367 /nfs/dbraw/zinc/64/93/67/675649367.db2.gz LXFJMCBRWAIZHZ-NSHDSACASA-N -1 1 325.372 2.172 20 0 EEADMM Cc1cc2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2c(C)n1 ZINC000033034311 675874733 /nfs/dbraw/zinc/87/47/33/675874733.db2.gz KPQTUFVLAIQYBL-UHFFFAOYSA-N -1 1 330.369 2.127 20 0 EEADMM CCOc1nc(C)ccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617651 676725471 /nfs/dbraw/zinc/72/54/71/676725471.db2.gz HEKAQQGUFPNEDU-UHFFFAOYSA-N -1 1 328.372 2.415 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCC(=O)C[C@@H]2C2CC2)c(=O)[n-]1 ZINC000891776507 676825902 /nfs/dbraw/zinc/82/59/02/676825902.db2.gz INVMJYFVNGQSCN-CQSZACIVSA-N -1 1 349.456 2.115 20 0 EEADMM COCc1nc(NC[C@H]2CCN(c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000891986862 677873579 /nfs/dbraw/zinc/87/35/79/677873579.db2.gz IOWZOLLMVKJPFI-GFCCVEGCSA-N -1 1 332.379 2.406 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(Cl)cc2C)n1 ZINC000176719011 678539237 /nfs/dbraw/zinc/53/92/37/678539237.db2.gz CWBJDKFPLDLBLW-UHFFFAOYSA-N -1 1 342.808 2.061 20 0 EEADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(C)on1 ZINC000052172110 678889182 /nfs/dbraw/zinc/88/91/82/678889182.db2.gz HFLKNLWKQHRBPG-UHFFFAOYSA-N -1 1 338.385 2.492 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1=CCCC1 ZINC000937363184 681348063 /nfs/dbraw/zinc/34/80/63/681348063.db2.gz RFNNGMHUNSZPMV-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937363330 681348152 /nfs/dbraw/zinc/34/81/52/681348152.db2.gz SIXLIRWPRWXMLN-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([C@H]1CCC=CCCC1)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001024997876 681691644 /nfs/dbraw/zinc/69/16/44/681691644.db2.gz AZXGZHYSLBHCGQ-LSDHHAIUSA-N -1 1 347.463 2.118 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973197885 682295478 /nfs/dbraw/zinc/29/54/78/682295478.db2.gz PPTQMDUSAYTMEP-AJNGGQMLSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)C2CCCC2)C1)c1ncccc1[O-] ZINC000983433645 682644890 /nfs/dbraw/zinc/64/48/90/682644890.db2.gz LQXNQUKEWPZBGI-ZIAGYGMSSA-N -1 1 331.416 2.135 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059164053 682837774 /nfs/dbraw/zinc/83/77/74/682837774.db2.gz MDYHFSNQYCLXMS-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1F ZINC000313748414 683112102 /nfs/dbraw/zinc/11/21/02/683112102.db2.gz AHDGBHLXUGAIEF-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000983698357 683138855 /nfs/dbraw/zinc/13/88/55/683138855.db2.gz RQTBIMWTPGCSQW-NFAWXSAZSA-N -1 1 345.443 2.190 20 0 EEADMM CC[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1cccc(C)c1 ZINC000909415305 683333183 /nfs/dbraw/zinc/33/31/83/683333183.db2.gz NXFOEKYYYDLQDQ-CVEARBPZSA-N -1 1 348.443 2.065 20 0 EEADMM CCOc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)cc(Cl)c1[O-] ZINC000900893289 683782578 /nfs/dbraw/zinc/78/25/78/683782578.db2.gz VLKZPSBGDLPCIR-JLTPVHFHSA-N -1 1 333.837 2.331 20 0 EEADMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000909454957 684057123 /nfs/dbraw/zinc/05/71/23/684057123.db2.gz PGQRGAUYJUUFIN-BDJLRTHQSA-N -1 1 339.395 2.359 20 0 EEADMM Cc1cc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)co1 ZINC000984103929 684105873 /nfs/dbraw/zinc/10/58/73/684105873.db2.gz HQGVTERYDYUCIQ-AWEZNQCLSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978742925 693864789 /nfs/dbraw/zinc/86/47/89/693864789.db2.gz PAZMQJNISJXGTO-KBXIAJHMSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(C[C@H]1C=CCC1)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515428 686271284 /nfs/dbraw/zinc/27/12/84/686271284.db2.gz YNJJLTGQSKVWTI-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975227514 686320778 /nfs/dbraw/zinc/32/07/78/686320778.db2.gz SYIFCMQIZQMAPE-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM COC[C@]1(C(=O)[O-])CCCN(Cc2cnc3ccc(Cl)cn23)C1 ZINC000901867340 694091489 /nfs/dbraw/zinc/09/14/89/694091489.db2.gz XQSGHVSKKWPQOM-INIZCTEOSA-N -1 1 337.807 2.301 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985686902 687476335 /nfs/dbraw/zinc/47/63/35/687476335.db2.gz IQYXLUUQSIITJF-CYBMUJFWSA-N -1 1 349.479 2.150 20 0 EEADMM CCc1cnc(CN(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC001027381012 687813379 /nfs/dbraw/zinc/81/33/79/687813379.db2.gz QPJBIYSLKWRTIC-ZDUSSCGKSA-N -1 1 344.415 2.074 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](CN(C)Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001029890584 688134229 /nfs/dbraw/zinc/13/42/29/688134229.db2.gz QIGHMUGVBHFJHX-KKUMJFAQSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@H]1[C@@H](NCc2n[nH]c(=O)[n-]2)CCN1C(=O)CCC1CCCCCC1 ZINC000986584924 688744473 /nfs/dbraw/zinc/74/44/73/688744473.db2.gz HBHCWNQKYJBRKU-ZFWWWQNUSA-N -1 1 349.479 2.340 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000987026230 689244934 /nfs/dbraw/zinc/24/49/34/689244934.db2.gz SQOQCQFIEPCAPQ-UMVBOHGHSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1c([C@@H](NCc2ccc3c(c2)OCCCCO3)C(=O)[O-])cnn1C ZINC000904048364 694282769 /nfs/dbraw/zinc/28/27/69/694282769.db2.gz PSZOOBNGWOSCHT-QGZVFWFLSA-N -1 1 345.399 2.195 20 0 EEADMM CCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccc(F)cc1F ZINC000866956232 689631090 /nfs/dbraw/zinc/63/10/90/689631090.db2.gz WXUHWOHAGFKZAB-LBPRGKRZSA-N -1 1 340.417 2.368 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCCC1 ZINC000987670574 689937689 /nfs/dbraw/zinc/93/76/89/689937689.db2.gz GCEQMRGPRPSEKY-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CCC(Nc1ncccc1C)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054502107 690899916 /nfs/dbraw/zinc/89/99/16/690899916.db2.gz PTDMUEHERVIJHB-SEYXRHQNSA-N -1 1 346.456 2.365 20 0 EEADMM C[C@@H]1C[C@@H](NCc2ncc(C3CC3)o2)CN1C(=O)c1ncccc1[O-] ZINC000988682962 691001904 /nfs/dbraw/zinc/00/19/04/691001904.db2.gz FLWQYFBGRXJRFL-DGCLKSJQSA-N -1 1 342.399 2.045 20 0 EEADMM O=C(CC1=CCCCC1)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937862130 691031337 /nfs/dbraw/zinc/03/13/37/691031337.db2.gz YQUVMWCXIOJDIF-AWEZNQCLSA-N -1 1 329.400 2.008 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)s1 ZINC000938014940 691148929 /nfs/dbraw/zinc/14/89/29/691148929.db2.gz GZTFGQBSXWXGSC-LBPRGKRZSA-N -1 1 345.424 2.110 20 0 EEADMM CN(C)[C@@H](CNC(=O)Cc1ccccc1C(=O)[O-])c1cccs1 ZINC000322239959 691636720 /nfs/dbraw/zinc/63/67/20/691636720.db2.gz GAPYJJSEHBTHLE-AWEZNQCLSA-N -1 1 332.425 2.408 20 0 EEADMM COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897704740 691757036 /nfs/dbraw/zinc/75/70/36/691757036.db2.gz OWOBWUQNIQKNMI-GXTWGEPZSA-N -1 1 331.368 2.127 20 0 EEADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc2n(n1)CCCC2=O ZINC000904885501 694480027 /nfs/dbraw/zinc/48/00/27/694480027.db2.gz PQKMUJJCKWINTE-UHFFFAOYSA-N -1 1 326.259 2.010 20 0 EEADMM CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897881351 691810592 /nfs/dbraw/zinc/81/05/92/691810592.db2.gz RYYFHNVULDTNEX-ZDUSSCGKSA-N -1 1 344.367 2.164 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000977616137 692829749 /nfs/dbraw/zinc/82/97/49/692829749.db2.gz IAQLZXCBXORQQD-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000978105379 693321230 /nfs/dbraw/zinc/32/12/30/693321230.db2.gz PRBCAPSVHUOXKI-MGPQQGTHSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H]1CN(CCNC(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H](C)CO1 ZINC000898668472 693413924 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CC(C)c1ccc2c(c1)CCCN2C(=O)Cc1sc(N)nc1[O-] ZINC000079616957 1210641882 /nfs/dbraw/zinc/64/18/82/1210641882.db2.gz WSSJDQRKEUHBPS-CQSZACIVSA-N -1 1 331.441 2.436 20 0 EEADMM CC1(C)CC[C@@H](NC(=O)Cc2sc(N)nc2[O-])c2ccccc21 ZINC000079817815 1210716902 /nfs/dbraw/zinc/71/69/02/1210716902.db2.gz JGOPROSHCJJSKP-OLZOCXBDSA-N -1 1 331.441 2.262 20 0 EEADMM CC(C)N(Cc1cccc(Cl)c1)C(=O)Cc1sc(N)nc1[O-] ZINC000080266517 1210842403 /nfs/dbraw/zinc/84/24/03/1210842403.db2.gz LKNLOBPMYZUIJD-GFCCVEGCSA-N -1 1 339.848 2.424 20 0 EEADMM Cc1cccc([C@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1C ZINC000080446601 1210913200 /nfs/dbraw/zinc/91/32/00/1210913200.db2.gz OIJPTEAROSWZRC-ZIAGYGMSSA-N -1 1 331.441 2.314 20 0 EEADMM O=C(Cc1ccc2c(c1)CCO2)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000081030797 1211106093 /nfs/dbraw/zinc/10/60/93/1211106093.db2.gz YXYVZDDNSHXZNQ-UHFFFAOYSA-N -1 1 348.761 2.418 20 0 EEADMM CC1(C(=O)N2CC[C@]3(CCN(C(=O)c4ncccc4[O-])C3)C2)CCC1 ZINC000953154505 1211684233 /nfs/dbraw/zinc/68/42/33/1211684233.db2.gz QVXPWTHKOKELRJ-IBGZPJMESA-N -1 1 343.427 2.042 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)C1CCC1 ZINC000953513726 1211852369 /nfs/dbraw/zinc/85/23/69/1211852369.db2.gz KHNKLJLNDKFKLG-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCOC2)cc1Cl ZINC000795329352 1211950975 /nfs/dbraw/zinc/95/09/75/1211950975.db2.gz RAYZWLJRXNOPCB-SNVBAGLBSA-N -1 1 347.820 2.295 20 0 EEADMM COc1cc(OC)c([N-]S(=O)(=O)C[C@H]2CCCOC2)cc1F ZINC000795330785 1211957798 /nfs/dbraw/zinc/95/77/98/1211957798.db2.gz OHAXZLLQWSJKEK-JTQLQIEISA-N -1 1 333.381 2.011 20 0 EEADMM CC(C)[C@H]1C[C@H]1C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000954329206 1212151088 /nfs/dbraw/zinc/15/10/88/1212151088.db2.gz GRTQXNLJPLDMPZ-HUUCEWRRSA-N -1 1 345.443 2.142 20 0 EEADMM Cc1cc(C(=O)N(C)C2CCN(C(=O)c3ncccc3[O-])CC2)co1 ZINC000953893389 1212195504 /nfs/dbraw/zinc/19/55/04/1212195504.db2.gz GNTVZHIITLRXRI-UHFFFAOYSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)C(C)(C)C1CCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954556244 1212366203 /nfs/dbraw/zinc/36/62/03/1212366203.db2.gz IZEAIOMRYDZIRP-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C(=O)[C@H]1CCCCC1(C)C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954570219 1212390880 /nfs/dbraw/zinc/39/08/80/1212390880.db2.gz JXCVZHLGWGJMMO-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001012510096 1225395770 /nfs/dbraw/zinc/39/57/70/1225395770.db2.gz KGYHANRMDSYHAT-SMDDNHRTSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2occc2Cl)CN1C(=O)c1ncccc1[O-] ZINC001012514062 1225399613 /nfs/dbraw/zinc/39/96/13/1225399613.db2.gz WYNFDQVCVDSKOI-VHSXEESVSA-N -1 1 349.774 2.067 20 0 EEADMM Cc1ccc(C)c(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)c1 ZINC000955287275 1212978808 /nfs/dbraw/zinc/97/88/08/1212978808.db2.gz MFFHDWMNRIFWIU-UHFFFAOYSA-N -1 1 339.395 2.001 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C)o1 ZINC000955529590 1213140286 /nfs/dbraw/zinc/14/02/86/1213140286.db2.gz LCWCATLPZUZWQB-AAEUAGOBSA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccccc1C(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000955979584 1213448127 /nfs/dbraw/zinc/44/81/27/1213448127.db2.gz PPZNWKTZPZKQFW-AWEZNQCLSA-N -1 1 339.395 2.130 20 0 EEADMM Cc1cscc1C(=O)N[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956805944 1214458891 /nfs/dbraw/zinc/45/88/91/1214458891.db2.gz SUVHXPFYSGMFMJ-QGZVFWFLSA-N -1 1 345.424 2.192 20 0 EEADMM C[C@@]1(NC(=O)c2sccc2F)CCN(C(=O)c2ncccc2[O-])C1 ZINC000956889190 1214596045 /nfs/dbraw/zinc/59/60/45/1214596045.db2.gz HWOZEZUBOPAWMB-MRXNPFEDSA-N -1 1 349.387 2.022 20 0 EEADMM CC(C(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000959471490 1214699235 /nfs/dbraw/zinc/69/92/35/1214699235.db2.gz KQVMCXBBMOIVLB-SWLSCSKDSA-N -1 1 343.427 2.112 20 0 EEADMM CCc1n[n-]c(=S)n1CCNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000093283692 1214842382 /nfs/dbraw/zinc/84/23/82/1214842382.db2.gz CQPWAXZGTMKICK-UHFFFAOYSA-N -1 1 337.453 2.276 20 0 EEADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1=CCCC1)C2)c1ncccc1[O-] ZINC000957975892 1215517434 /nfs/dbraw/zinc/51/74/34/1215517434.db2.gz JODCBSJUVKFXQM-CFVMTHIKSA-N -1 1 341.411 2.007 20 0 EEADMM CC(C)(C)CC(=O)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963680607 1217962549 /nfs/dbraw/zinc/96/25/49/1217962549.db2.gz GTZGXJPAZWNNAB-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)n1 ZINC001007190679 1218207513 /nfs/dbraw/zinc/20/75/13/1218207513.db2.gz QNKODQQXAQIIEW-MRXNPFEDSA-N -1 1 340.427 2.193 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CCCC1 ZINC000964669915 1218526673 /nfs/dbraw/zinc/52/66/73/1218526673.db2.gz IVEHMWLWCJSPQM-CQSZACIVSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000967003746 1220189585 /nfs/dbraw/zinc/18/95/85/1220189585.db2.gz DTQORAQJPPNIIB-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM CCC1(Nc2nccc(C)n2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001066825506 1220281063 /nfs/dbraw/zinc/28/10/63/1220281063.db2.gz AMALCDPLSLESNM-UHFFFAOYSA-N -1 1 341.415 2.383 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2csc(C)c2)C1 ZINC000967902185 1220904474 /nfs/dbraw/zinc/90/44/74/1220904474.db2.gz VJTOWYVNZYFQSM-UHFFFAOYSA-N -1 1 345.424 2.144 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C(C)C)CC1 ZINC001016056513 1226014292 /nfs/dbraw/zinc/01/42/92/1226014292.db2.gz OGCHLWINUSYCCZ-AWEZNQCLSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1cc(NCCC[C@@H](C)NC(=O)c2ncccc2[O-])nc(C)n1 ZINC001114911731 1221242224 /nfs/dbraw/zinc/24/22/24/1221242224.db2.gz PTONTFQYHJWXES-LLVKDONJSA-N -1 1 329.404 2.205 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)c1[O-] ZINC001010644996 1223829508 /nfs/dbraw/zinc/82/95/08/1223829508.db2.gz XRSYNINELHZKHX-ZFWWWQNUSA-N -1 1 344.390 2.054 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H]2CCN([C@H]3CCc4ccc(F)cc43)C2)c1[O-] ZINC001010644996 1223829512 /nfs/dbraw/zinc/82/95/12/1223829512.db2.gz XRSYNINELHZKHX-ZFWWWQNUSA-N -1 1 344.390 2.054 20 0 EEADMM O=C(N[C@@H]1CCN(Cc2csc(C3CC3)n2)C1)c1ncccc1[O-] ZINC001010720983 1223870001 /nfs/dbraw/zinc/87/00/01/1223870001.db2.gz BBRGYIJZRFSTAE-GFCCVEGCSA-N -1 1 344.440 2.125 20 0 EEADMM O=C(N[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1)c1ncccc1O ZINC001010735536 1223879112 /nfs/dbraw/zinc/87/91/12/1223879112.db2.gz XUWQYPPEZLJJAT-GHMZBOCLSA-N -1 1 344.242 2.175 20 0 EEADMM CC(C)=CC(=O)N1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014253786 1226415936 /nfs/dbraw/zinc/41/59/36/1226415936.db2.gz SYTDAFMYBBKZRS-KBXCAEBGSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@H](C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC001017071605 1227091727 /nfs/dbraw/zinc/09/17/27/1227091727.db2.gz HTGIRHQGHNLOEI-GRTSSRMGSA-N -1 1 345.443 2.333 20 0 EEADMM C/C=C(\C)C(=O)N1CCC(C2(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017153633 1227176793 /nfs/dbraw/zinc/17/67/93/1227176793.db2.gz BRUWICOAGAEJEW-QLKAYGNNSA-N -1 1 343.427 2.254 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001017209241 1227233000 /nfs/dbraw/zinc/23/30/00/1227233000.db2.gz ZLTNWMZBQIMXBG-UONOGXRCSA-N -1 1 349.479 2.007 20 0 EEADMM CC(C)C1(C(=O)N2CC=C(CNC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017400366 1227389476 /nfs/dbraw/zinc/38/94/76/1227389476.db2.gz MCLGXQRTWGPOAZ-UHFFFAOYSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1cc(C(=O)N(C)CCCN(C)C(=O)c2ncccc2[O-])oc1C ZINC001067192585 1227483176 /nfs/dbraw/zinc/48/31/76/1227483176.db2.gz HOACUGDBSOAWIJ-UHFFFAOYSA-N -1 1 345.399 2.231 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)C2CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001017902281 1227841168 /nfs/dbraw/zinc/84/11/68/1227841168.db2.gz HESIIMCEUVHTCN-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)c3ncccc3[O-])C2)o1 ZINC001017958231 1227919433 /nfs/dbraw/zinc/91/94/33/1227919433.db2.gz RUCIGSFADJCOJH-DGCLKSJQSA-N -1 1 343.383 2.112 20 0 EEADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C)C(=O)c1ncccc1[O-] ZINC001019747321 1229313372 /nfs/dbraw/zinc/31/33/72/1229313372.db2.gz FJRLKWDJCRCGOY-ZIAGYGMSSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@H](C)c1ccc(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001019834196 1229369281 /nfs/dbraw/zinc/36/92/81/1229369281.db2.gz YIJZRVMMVORMPB-WFASDCNBSA-N -1 1 343.431 2.028 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001020206028 1229552376 /nfs/dbraw/zinc/55/23/76/1229552376.db2.gz KBYCAGVUITUHKQ-YJNKXOJESA-N -1 1 345.443 2.189 20 0 EEADMM C[C@H]1[C@@H](NC(=O)[C@@H]2CCCC23CC3)CCN1C(=O)c1ncccc1[O-] ZINC001020206252 1229552723 /nfs/dbraw/zinc/55/27/23/1229552723.db2.gz YRFIJTFHYONPSW-IHRRRGAJSA-N -1 1 343.427 2.087 20 0 EEADMM CC(C)=C(C)CC(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001067254964 1229780795 /nfs/dbraw/zinc/78/07/95/1229780795.db2.gz XPINLNUUEIOREJ-UHFFFAOYSA-N -1 1 333.432 2.454 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(Cc2cccc(F)c2F)C1 ZINC001042645237 1232127968 /nfs/dbraw/zinc/12/79/68/1232127968.db2.gz LOFOBRNAZNHAEO-UHFFFAOYSA-N -1 1 333.338 2.022 20 0 EEADMM Cc1ccc(CN2CC(N(C)C(=O)c3ncccc3[O-])C2)cc1C ZINC001042646288 1232128575 /nfs/dbraw/zinc/12/85/75/1232128575.db2.gz NSYMNRDIJLVVTF-UHFFFAOYSA-N -1 1 325.412 2.360 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001042646611 1232128716 /nfs/dbraw/zinc/12/87/16/1232128716.db2.gz UDMZHQDRSIMDBF-MRXNPFEDSA-N -1 1 341.386 2.370 20 0 EEADMM CN(C)c1ccc(F)cc1CN[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000900073952 1233999286 /nfs/dbraw/zinc/99/92/86/1233999286.db2.gz OLESJJJYIVOFRN-ZDUSSCGKSA-N -1 1 332.379 2.411 20 0 EEADMM C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001413194222 1234634154 /nfs/dbraw/zinc/63/41/54/1234634154.db2.gz OJNUBZLYKTVROI-RHYQMDGZSA-N -1 1 348.365 2.050 20 0 EEADMM COC(=O)CCCOC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801418207 1235548989 /nfs/dbraw/zinc/54/89/89/1235548989.db2.gz IZLLVNJZMUTEDX-UHFFFAOYSA-N -1 1 332.356 2.305 20 0 EEADMM CCOC(=O)[C@H](C)OC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801418588 1235551330 /nfs/dbraw/zinc/55/13/30/1235551330.db2.gz NZHSSJHJZSFXJL-LBPRGKRZSA-N -1 1 332.356 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CCn1c(Cc2nn[n-]n2)nnc1N(C)Cc1ccc(C(C)C)cc1 ZINC001263015320 1322423005 /nfs/dbraw/zinc/42/30/05/1322423005.db2.gz JPFHGJXMSJQQOD-UHFFFAOYSA-N -1 1 340.435 2.162 20 0 EEADMM O=C([N-]CCNC(=S)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000586424024 1322489743 /nfs/dbraw/zinc/48/97/43/1322489743.db2.gz ZTYWPLXQCYPQOC-UHFFFAOYSA-N -1 1 325.743 2.305 20 0 EEADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(N)c1 ZINC001210257849 1325217479 /nfs/dbraw/zinc/21/74/79/1325217479.db2.gz GPVKSNKSRWZRKP-UHFFFAOYSA-N -1 1 336.369 2.085 20 0 EEADMM O=C(c1ccc(Nc2c([O-])cc(F)cc2F)cn1)N1CCOCC1 ZINC001210657656 1325373198 /nfs/dbraw/zinc/37/31/98/1325373198.db2.gz WHLVGRMJQGIYJH-UHFFFAOYSA-N -1 1 335.310 2.281 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001608487586 1351702919 /nfs/dbraw/zinc/70/29/19/1351702919.db2.gz YQMNBRUICFWWJM-IIAWOOMASA-N -1 1 327.384 2.106 20 0 EEADMM CSc1nc(CNC(=O)Cn2c(C)cc3ccccc32)cc(=O)[n-]1 ZINC001299998960 1330169926 /nfs/dbraw/zinc/16/99/26/1330169926.db2.gz QKXFFRJSPXNUID-UHFFFAOYSA-N -1 1 342.424 2.484 20 0 EEADMM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001608525073 1351709508 /nfs/dbraw/zinc/70/95/08/1351709508.db2.gz KGNPTARMIKVCHK-NTSWFWBYSA-N -1 1 328.250 2.026 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001589997916 1349099963 /nfs/dbraw/zinc/09/99/63/1349099963.db2.gz OESAUJUOHSEVLN-IUCAKERBSA-N -1 1 342.856 2.497 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001589997916 1349099968 /nfs/dbraw/zinc/09/99/68/1349099968.db2.gz OESAUJUOHSEVLN-IUCAKERBSA-N -1 1 342.856 2.497 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001601688060 1350337606 /nfs/dbraw/zinc/33/76/06/1350337606.db2.gz BUEUMSXHCYLKNJ-JWYUURKGSA-N -1 1 330.167 2.224 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601689134 1350338601 /nfs/dbraw/zinc/33/86/01/1350338601.db2.gz KSRVZOYBZXSLTC-CPCISQLKSA-N -1 1 342.186 2.122 20 0 EEADMM CC(C)(C)CC(C)(C)N1CCN(S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001603322901 1350687886 /nfs/dbraw/zinc/68/78/86/1350687886.db2.gz OOVXFAPXCYSWLX-UHFFFAOYSA-N -1 1 348.509 2.013 20 0 EEADMM CCN(c1ccccc1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001604331766 1350917848 /nfs/dbraw/zinc/91/78/48/1350917848.db2.gz CYXACZODRIQRDI-UHFFFAOYSA-N -1 1 335.414 2.143 20 0 EEADMM COc1ccc(F)cc1C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001605291161 1351126702 /nfs/dbraw/zinc/12/67/02/1351126702.db2.gz XAEQQAAVPHQSTB-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM COc1ccc(F)cc1C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001605291161 1351126705 /nfs/dbraw/zinc/12/67/05/1351126705.db2.gz XAEQQAAVPHQSTB-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM O=S(=O)(NCCC1=CCCCC1)c1ccsc1-c1nn[n-]n1 ZINC001607064143 1351405945 /nfs/dbraw/zinc/40/59/45/1351405945.db2.gz SYXMZOLGNVDOGR-UHFFFAOYSA-N -1 1 339.446 2.097 20 0 EEADMM O=C([O-])[C@H]1[C@H](CN2CCc3c(ncn3-c3ccccc3)C2)C1(F)F ZINC001608595501 1351722207 /nfs/dbraw/zinc/72/22/07/1351722207.db2.gz DXABSKZQPGTRBS-SWLSCSKDSA-N -1 1 333.338 2.196 20 0 EEADMM O=S(=O)(Oc1cnn(Cc2ccccc2)c1)c1c[n-]nc1Cl ZINC001309493422 1331631516 /nfs/dbraw/zinc/63/15/16/1331631516.db2.gz ZMZCDCVCIOUGFA-UHFFFAOYSA-N -1 1 338.776 2.076 20 0 EEADMM O=C([O-])c1c[nH]c(CN2CC[C@](CO)(C(F)(F)F)C2)c1C1CC1 ZINC001608831819 1351773871 /nfs/dbraw/zinc/77/38/71/1351773871.db2.gz TVFXZERESFGHLW-AWEZNQCLSA-N -1 1 332.322 2.337 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3ncsc3c2)nc1 ZINC001608905242 1351790832 /nfs/dbraw/zinc/79/08/32/1351790832.db2.gz JVSWJRNRMLBQFT-UHFFFAOYSA-N -1 1 335.366 2.190 20 0 EEADMM O=C([O-])c1ncccc1S(=O)(=O)Nc1ccc2c(c1)CCCC2 ZINC001609001719 1351811939 /nfs/dbraw/zinc/81/19/39/1351811939.db2.gz LHOZTURSPYTLSN-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM CC(C)(C)Cc1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)n[nH]1 ZINC001609075885 1351832148 /nfs/dbraw/zinc/83/21/48/1351832148.db2.gz OBMXWLMKSCKSME-UHFFFAOYSA-N -1 1 341.379 2.217 20 0 EEADMM CC(C)(C)Cc1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)n[nH]1 ZINC001609075885 1351832152 /nfs/dbraw/zinc/83/21/52/1351832152.db2.gz OBMXWLMKSCKSME-UHFFFAOYSA-N -1 1 341.379 2.217 20 0 EEADMM C[C@H](CC1CCOCC1)OC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609110753 1351847074 /nfs/dbraw/zinc/84/70/74/1351847074.db2.gz UWRAJKWCSYKMTD-SNVBAGLBSA-N -1 1 334.351 2.368 20 0 EEADMM C[C@H](CC1CCOCC1)OC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609110753 1351847076 /nfs/dbraw/zinc/84/70/76/1351847076.db2.gz UWRAJKWCSYKMTD-SNVBAGLBSA-N -1 1 334.351 2.368 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609161535 1351869707 /nfs/dbraw/zinc/86/97/07/1351869707.db2.gz VQHYZGSTDJTVCR-TYNCELHUSA-N -1 1 328.420 2.452 20 0 EEADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609161535 1351869709 /nfs/dbraw/zinc/86/97/09/1351869709.db2.gz VQHYZGSTDJTVCR-TYNCELHUSA-N -1 1 328.420 2.452 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609180502 1351879107 /nfs/dbraw/zinc/87/91/07/1351879107.db2.gz OOIOIZYDCBYEPG-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609180502 1351879110 /nfs/dbraw/zinc/87/91/10/1351879110.db2.gz OOIOIZYDCBYEPG-SNVBAGLBSA-N -1 1 338.346 2.160 20 0 EEADMM COC(=O)Nc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609301107 1351924005 /nfs/dbraw/zinc/92/40/05/1351924005.db2.gz FDJJQJUKHOLDSS-UHFFFAOYSA-N -1 1 331.361 2.114 20 0 EEADMM COC(=O)Nc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609301107 1351924006 /nfs/dbraw/zinc/92/40/06/1351924006.db2.gz FDJJQJUKHOLDSS-UHFFFAOYSA-N -1 1 331.361 2.114 20 0 EEADMM CO[C@H](CNc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001609311049 1351928087 /nfs/dbraw/zinc/92/80/87/1351928087.db2.gz ROLDALZBWFBGHG-CQSZACIVSA-N -1 1 330.779 2.137 20 0 EEADMM CO[C@H](CNc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001609311049 1351928089 /nfs/dbraw/zinc/92/80/89/1351928089.db2.gz ROLDALZBWFBGHG-CQSZACIVSA-N -1 1 330.779 2.137 20 0 EEADMM COc1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc2cccnc21 ZINC001609346616 1351940768 /nfs/dbraw/zinc/94/07/68/1351940768.db2.gz GZJYSUZTTBOWHD-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc2cccnc21 ZINC001609346616 1351940771 /nfs/dbraw/zinc/94/07/71/1351940771.db2.gz GZJYSUZTTBOWHD-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM Cc1ccc(Cc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)s1 ZINC001609424594 1351971386 /nfs/dbraw/zinc/97/13/86/1351971386.db2.gz VZQDAYZOIJTYOO-UHFFFAOYSA-N -1 1 325.357 2.272 20 0 EEADMM Cc1ccc(Cc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)s1 ZINC001609424594 1351971387 /nfs/dbraw/zinc/97/13/87/1351971387.db2.gz VZQDAYZOIJTYOO-UHFFFAOYSA-N -1 1 325.357 2.272 20 0 EEADMM Cc1ccc(NCc2cc3ccccc3n(C)c2=O)nc1-c1nnn[n-]1 ZINC001609426073 1351971996 /nfs/dbraw/zinc/97/19/96/1351971996.db2.gz CREKSLFUZGOALU-UHFFFAOYSA-N -1 1 347.382 2.034 20 0 EEADMM Cc1ccc(NCc2cc3ccccc3n(C)c2=O)nc1-c1nn[n-]n1 ZINC001609426073 1351971999 /nfs/dbraw/zinc/97/19/99/1351971999.db2.gz CREKSLFUZGOALU-UHFFFAOYSA-N -1 1 347.382 2.034 20 0 EEADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609422257 1351970838 /nfs/dbraw/zinc/97/08/38/1351970838.db2.gz RDCUAXPATBLFPG-ZDUSSCGKSA-N -1 1 336.399 2.273 20 0 EEADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609422257 1351970842 /nfs/dbraw/zinc/97/08/42/1351970842.db2.gz RDCUAXPATBLFPG-ZDUSSCGKSA-N -1 1 336.399 2.273 20 0 EEADMM Cc1ccn(Cc2cc(-c3ccccc3)no2)c(=O)c1-c1nn[n-]n1 ZINC001609437909 1351976879 /nfs/dbraw/zinc/97/68/79/1351976879.db2.gz HDWUSSOQFFMKMY-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Cc1nc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1-c1nn[nH]n1 ZINC001609445653 1351980657 /nfs/dbraw/zinc/98/06/57/1351980657.db2.gz OYSVMSBYWLONHB-UHFFFAOYSA-N -1 1 339.290 2.132 20 0 EEADMM Cc1nsc(N2CCC[C@@H](c3ccnc(C)n3)C2)c1-c1nn[n-]n1 ZINC001609456897 1351984866 /nfs/dbraw/zinc/98/48/66/1351984866.db2.gz MKUOAHXIMGUAOY-LLVKDONJSA-N -1 1 342.432 2.114 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 ZINC001609466448 1351988486 /nfs/dbraw/zinc/98/84/86/1351988486.db2.gz AHUNHBLCYJWQBM-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 ZINC001609466448 1351988487 /nfs/dbraw/zinc/98/84/87/1351988487.db2.gz AHUNHBLCYJWQBM-UHFFFAOYSA-N -1 1 348.326 2.285 20 0 EEADMM FC(F)(F)c1cccc(C2CN(c3ncncc3-c3nn[n-]n3)C2)c1 ZINC001609484547 1351994281 /nfs/dbraw/zinc/99/42/81/1351994281.db2.gz HDDGUSPOAYNSFN-UHFFFAOYSA-N -1 1 347.304 2.279 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H](Cc2ccccc2)C1 ZINC001609567282 1352018079 /nfs/dbraw/zinc/01/80/79/1352018079.db2.gz ZKSJQTBJTFOLHD-CQSZACIVSA-N -1 1 349.398 2.358 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H](Cc2ccccc2)C1 ZINC001609567282 1352018084 /nfs/dbraw/zinc/01/80/84/1352018084.db2.gz ZKSJQTBJTFOLHD-CQSZACIVSA-N -1 1 349.398 2.358 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCc2ccc(F)c(F)c21 ZINC001609582835 1352026062 /nfs/dbraw/zinc/02/60/62/1352026062.db2.gz JIZNYOOMUMFUKS-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2ccc(F)c(F)c21 ZINC001609582835 1352026067 /nfs/dbraw/zinc/02/60/67/1352026067.db2.gz JIZNYOOMUMFUKS-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc3ccccc3[nH]2)c2ccccc21 ZINC001609604050 1352032351 /nfs/dbraw/zinc/03/23/51/1352032351.db2.gz SCLRHACHQYRGEK-UHFFFAOYSA-N -1 1 343.350 2.106 20 0 EEADMM c1sc(COc2ccc([C@@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001609613853 1352038835 /nfs/dbraw/zinc/03/88/35/1352038835.db2.gz FYCHMFCOMLHHRK-LLVKDONJSA-N -1 1 329.385 2.406 20 0 EEADMM c1sc(COc2ccc([C@@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001609613853 1352038838 /nfs/dbraw/zinc/03/88/38/1352038838.db2.gz FYCHMFCOMLHHRK-LLVKDONJSA-N -1 1 329.385 2.406 20 0 EEADMM c1ccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC23CCC3)cc1 ZINC001609617060 1352040583 /nfs/dbraw/zinc/04/05/83/1352040583.db2.gz SLUMLGQNZOMSKW-AWEZNQCLSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC23CCC3)cc1 ZINC001609617060 1352040586 /nfs/dbraw/zinc/04/05/86/1352040586.db2.gz SLUMLGQNZOMSKW-AWEZNQCLSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc2oc(C3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)nc2c1 ZINC001609618575 1352041909 /nfs/dbraw/zinc/04/19/09/1352041909.db2.gz KAKLOZPIRTVHER-UHFFFAOYSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc(C3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)nc2c1 ZINC001609618575 1352041914 /nfs/dbraw/zinc/04/19/14/1352041914.db2.gz KAKLOZPIRTVHER-UHFFFAOYSA-N -1 1 348.370 2.182 20 0 EEADMM O=S(=O)([N-][C@@H]1CCO[C@H]1C1CC1)c1cnc(Cl)cc1Cl ZINC001335151514 1336343908 /nfs/dbraw/zinc/34/39/08/1336343908.db2.gz SUYYTCBLKXYESD-SKDRFNHKSA-N -1 1 337.228 2.234 20 0 EEADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1oncc1C(=O)[O-] ZINC001609684000 1352058982 /nfs/dbraw/zinc/05/89/82/1352058982.db2.gz MUHKEYCFZMYAEX-INIZCTEOSA-N -1 1 341.408 2.402 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H]1CCn2ccnc21 ZINC001609727339 1352069928 /nfs/dbraw/zinc/06/99/28/1352069928.db2.gz KYYNJWXGEXXGAL-RISCZKNCSA-N -1 1 328.372 2.033 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCCCCCC1 ZINC001609866201 1352106357 /nfs/dbraw/zinc/10/63/57/1352106357.db2.gz CQHQDAWZRINESX-AWEZNQCLSA-N -1 1 325.453 2.290 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC001609884552 1352111147 /nfs/dbraw/zinc/11/11/47/1352111147.db2.gz HZJOJERADUDVPV-CZUORRHYSA-N -1 1 336.407 2.327 20 0 EEADMM CCO[C@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC)C1 ZINC001341187053 1337286225 /nfs/dbraw/zinc/28/62/25/1337286225.db2.gz WSAUMJISKGKBIZ-JTQLQIEISA-N -1 1 337.811 2.334 20 0 EEADMM CCCC1(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CCC1 ZINC001609958170 1352129979 /nfs/dbraw/zinc/12/99/79/1352129979.db2.gz VVBRHGYKRLZJBG-CQSZACIVSA-N -1 1 325.453 2.147 20 0 EEADMM CCCOc1cccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001609980896 1352133671 /nfs/dbraw/zinc/13/36/71/1352133671.db2.gz AKVBAKLJHGHAIM-UHFFFAOYSA-N -1 1 336.369 2.369 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001345527471 1337449958 /nfs/dbraw/zinc/44/99/58/1337449958.db2.gz QYYXKQGKHUEUJT-UHFFFAOYSA-N -1 1 344.396 2.158 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847088564 1337863692 /nfs/dbraw/zinc/86/36/92/1337863692.db2.gz BQWGRVFSWFFBEO-BDAKNGLRSA-N -1 1 334.203 2.455 20 0 EEADMM COC(=O)c1cccc([C@@H](Sc2nnc(C3CC3)[nH]2)C(=O)[O-])c1 ZINC001610219926 1352189221 /nfs/dbraw/zinc/18/92/21/1352189221.db2.gz XWBCCENQRXTPDR-LLVKDONJSA-N -1 1 333.369 2.387 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001610337982 1352207500 /nfs/dbraw/zinc/20/75/00/1352207500.db2.gz QZWAHNPUOHBMCW-NHCYSSNCSA-N -1 1 340.807 2.471 20 0 EEADMM CCO/C=C\[C@@](O)(CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000848187429 1338564550 /nfs/dbraw/zinc/56/45/50/1338564550.db2.gz ZVVBNSQGJIGIIX-CFHLNLSMSA-N -1 1 337.269 2.105 20 0 EEADMM COc1ccc([C@@H](C)CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001610319752 1352204953 /nfs/dbraw/zinc/20/49/53/1352204953.db2.gz ZMGINMHXHNUVEU-GJZGRUSLSA-N -1 1 348.443 2.196 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1C1CC1 ZINC001610434660 1352221931 /nfs/dbraw/zinc/22/19/31/1352221931.db2.gz PLSHAGXJIQRQHU-CYBMUJFWSA-N -1 1 333.432 2.061 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(F)cc(F)c2)cc1 ZINC000848943577 1338809533 /nfs/dbraw/zinc/80/95/33/1338809533.db2.gz NJAFRQWWHISNQB-UHFFFAOYSA-N -1 1 349.289 2.087 20 0 EEADMM Cc1ccc([C@H](CN2CCOCC2)NCc2ccoc2C(=O)[O-])cc1 ZINC001610491748 1352232407 /nfs/dbraw/zinc/23/24/07/1352232407.db2.gz NQDOGAQPMJCVNG-KRWDZBQOSA-N -1 1 344.411 2.449 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1cnn(C)c1C1CC1)C1CCCC1 ZINC000849310013 1339151897 /nfs/dbraw/zinc/15/18/97/1339151897.db2.gz QDYMYGFLPVRIGL-CQSZACIVSA-N -1 1 327.450 2.244 20 0 EEADMM Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001610575635 1352247821 /nfs/dbraw/zinc/24/78/21/1352247821.db2.gz DBZKHJLBYMZCRK-HNNXBMFYSA-N -1 1 331.372 2.176 20 0 EEADMM Cc1oc(CN(C)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1C(=O)[O-] ZINC001610582337 1352248864 /nfs/dbraw/zinc/24/88/64/1352248864.db2.gz XDKZZPXCTVBKDH-ZDUSSCGKSA-N -1 1 332.360 2.228 20 0 EEADMM Cn1cc(Br)c(CN[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001610599227 1352251981 /nfs/dbraw/zinc/25/19/81/1352251981.db2.gz JZKYSVLCXLIURC-LBPRGKRZSA-N -1 1 330.226 2.306 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001610701622 1352261607 /nfs/dbraw/zinc/26/16/07/1352261607.db2.gz NHIDWAOTFPFJHF-SFHVURJKSA-N -1 1 347.374 2.407 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1CCCn1c(=O)[nH]c2ccccc21 ZINC001610765983 1352270752 /nfs/dbraw/zinc/27/07/52/1352270752.db2.gz LVXUIWYWEDCATQ-LBPRGKRZSA-N -1 1 335.429 2.024 20 0 EEADMM O=C([O-])CCC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC001610765681 1352270781 /nfs/dbraw/zinc/27/07/81/1352270781.db2.gz LJEXAVWFLWFSKI-UHFFFAOYSA-N -1 1 331.397 2.486 20 0 EEADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC001610766227 1352270916 /nfs/dbraw/zinc/27/09/16/1352270916.db2.gz CMQTXTUGFLWQEX-JTQLQIEISA-N -1 1 340.401 2.104 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 ZINC001610775918 1352272632 /nfs/dbraw/zinc/27/26/32/1352272632.db2.gz UOXXTFIXHFZREV-KRWDZBQOSA-N -1 1 340.379 2.193 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429956236 1340068358 /nfs/dbraw/zinc/06/83/58/1340068358.db2.gz RIGPAQIAANTQTD-KBPBESRZSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)CC(C)C ZINC001430562600 1340257479 /nfs/dbraw/zinc/25/74/79/1340257479.db2.gz JKLPGJNTTHCJIW-CYBMUJFWSA-N -1 1 335.448 2.484 20 0 EEADMM CC1(CCC(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431761994 1340719343 /nfs/dbraw/zinc/71/93/43/1340719343.db2.gz UQWRFYZLBQOGQR-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM CC(C)(C)CCC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001431763552 1340720395 /nfs/dbraw/zinc/72/03/95/1340720395.db2.gz ZVPFNLYUJDJTSJ-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434772704 1341938183 /nfs/dbraw/zinc/93/81/83/1341938183.db2.gz JFTWVIGOINZOIF-BJDJZHNGSA-N -1 1 335.370 2.416 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001576398263 1344009772 /nfs/dbraw/zinc/00/97/72/1344009772.db2.gz FUKSKNRFSBLPEH-PRHODGIISA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001576398263 1344009779 /nfs/dbraw/zinc/00/97/79/1344009779.db2.gz FUKSKNRFSBLPEH-PRHODGIISA-N -1 1 327.369 2.180 20 0 EEADMM CC[C@@H](CSC)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001576927721 1344076336 /nfs/dbraw/zinc/07/63/36/1344076336.db2.gz YYVNVSXXWAUOTE-VIFPVBQESA-N -1 1 340.478 2.211 20 0 EEADMM COCc1csc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001579839164 1344420618 /nfs/dbraw/zinc/42/06/18/1344420618.db2.gz QAVOGBBNYSCJDL-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COCc1csc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001579839164 1344420626 /nfs/dbraw/zinc/42/06/26/1344420626.db2.gz QAVOGBBNYSCJDL-UHFFFAOYSA-N -1 1 335.414 2.066 20 0 EEADMM COc1ccc(SCC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001580049746 1344459305 /nfs/dbraw/zinc/45/93/05/1344459305.db2.gz QQZPEJXOIPHQGN-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM COc1ccc(SCC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001580049746 1344459309 /nfs/dbraw/zinc/45/93/09/1344459309.db2.gz QQZPEJXOIPHQGN-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM CSc1cccc(F)c1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001580235170 1344495976 /nfs/dbraw/zinc/49/59/76/1344495976.db2.gz KWNFVJRMUUXNFD-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM CSc1cccc(F)c1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001580235170 1344495981 /nfs/dbraw/zinc/49/59/81/1344495981.db2.gz KWNFVJRMUUXNFD-UHFFFAOYSA-N -1 1 344.375 2.053 20 0 EEADMM C[C@]1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C[C@@H]1c1ccccc1 ZINC001580456906 1344522813 /nfs/dbraw/zinc/52/28/13/1344522813.db2.gz SUUAQGSYOOGJJQ-BZNIZROVSA-N -1 1 340.412 2.133 20 0 EEADMM C[C@]1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C[C@@H]1c1ccccc1 ZINC001580456906 1344522814 /nfs/dbraw/zinc/52/28/14/1344522814.db2.gz SUUAQGSYOOGJJQ-BZNIZROVSA-N -1 1 340.412 2.133 20 0 EEADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001582552345 1344761888 /nfs/dbraw/zinc/76/18/88/1344761888.db2.gz PDZQWXZWNFHFIU-UHFFFAOYSA-N -1 1 329.747 2.156 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2ccncc2)C1 ZINC001582709231 1344784566 /nfs/dbraw/zinc/78/45/66/1344784566.db2.gz MSVYDGWBNQEWKF-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2ccncc2)C1 ZINC001582709231 1344784570 /nfs/dbraw/zinc/78/45/70/1344784570.db2.gz MSVYDGWBNQEWKF-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2sc(Cl)cc2C1 ZINC001582708741 1344785138 /nfs/dbraw/zinc/78/51/38/1344785138.db2.gz UYFYMCYOYOALQZ-UHFFFAOYSA-N -1 1 346.803 2.175 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2sc(Cl)cc2C1 ZINC001582708741 1344785142 /nfs/dbraw/zinc/78/51/42/1344785142.db2.gz UYFYMCYOYOALQZ-UHFFFAOYSA-N -1 1 346.803 2.175 20 0 EEADMM CC(=CC(=O)N(C)c1snc(C)c1-c1nnn[n-]1)c1ccco1 ZINC001588754932 1348931860 /nfs/dbraw/zinc/93/18/60/1348931860.db2.gz FYRVOVPVEDWGRD-FPLPWBNLSA-N -1 1 330.373 2.291 20 0 EEADMM CC(=CC(=O)N(C)c1snc(C)c1-c1nn[n-]n1)c1ccco1 ZINC001588754932 1348931862 /nfs/dbraw/zinc/93/18/62/1348931862.db2.gz FYRVOVPVEDWGRD-FPLPWBNLSA-N -1 1 330.373 2.291 20 0 EEADMM CC(=O)Oc1ccc(C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001588888032 1348940766 /nfs/dbraw/zinc/94/07/66/1348940766.db2.gz IMJIUHZUUPZHBW-UHFFFAOYSA-N -1 1 335.367 2.308 20 0 EEADMM CC(=O)Oc1ccc(C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cc1 ZINC001588888032 1348940769 /nfs/dbraw/zinc/94/07/69/1348940769.db2.gz IMJIUHZUUPZHBW-UHFFFAOYSA-N -1 1 335.367 2.308 20 0 EEADMM CC(=O)c1c(C)cc(C)c(Cn2cc(-c3nn[n-]n3)ccc2=O)c1C ZINC001588888915 1348941415 /nfs/dbraw/zinc/94/14/15/1348941415.db2.gz HUIYTPXSXOIQDI-UHFFFAOYSA-N -1 1 337.383 2.205 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC001589000317 1348951980 /nfs/dbraw/zinc/95/19/80/1348951980.db2.gz YAXJBCXLQWFRRF-QMMMGPOBSA-N -1 1 348.819 2.397 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC001589000317 1348951983 /nfs/dbraw/zinc/95/19/83/1348951983.db2.gz YAXJBCXLQWFRRF-QMMMGPOBSA-N -1 1 348.819 2.397 20 0 EEADMM CC(C)=CC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001589367526 1348987281 /nfs/dbraw/zinc/98/72/81/1348987281.db2.gz IJVULJLTTVPLCA-LLVKDONJSA-N -1 1 349.464 2.151 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589658630 1349016451 /nfs/dbraw/zinc/01/64/51/1349016451.db2.gz JQKIFIDQJKDYBM-GHMZBOCLSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589658630 1349016453 /nfs/dbraw/zinc/01/64/53/1349016453.db2.gz JQKIFIDQJKDYBM-GHMZBOCLSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)OC1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCCCC1 ZINC001589738614 1349026304 /nfs/dbraw/zinc/02/63/04/1349026304.db2.gz YRLIMGZRTHSXAJ-UHFFFAOYSA-N -1 1 333.392 2.317 20 0 EEADMM CC(C)OC1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCCCC1 ZINC001589738614 1349026308 /nfs/dbraw/zinc/02/63/08/1349026308.db2.gz YRLIMGZRTHSXAJ-UHFFFAOYSA-N -1 1 333.392 2.317 20 0 EEADMM C[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)Cc1ccc(Cl)cc1 ZINC001589794633 1349044445 /nfs/dbraw/zinc/04/44/45/1349044445.db2.gz PLXDRFVTKBCSLX-SECBINFHSA-N -1 1 345.794 2.451 20 0 EEADMM C[C@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589794629 1349044797 /nfs/dbraw/zinc/04/47/97/1349044797.db2.gz PJOVQSYXBJTTSM-SECBINFHSA-N -1 1 345.407 2.066 20 0 EEADMM C[C@H](CC(=O)OC(C)(C)C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589794629 1349044801 /nfs/dbraw/zinc/04/48/01/1349044801.db2.gz PJOVQSYXBJTTSM-SECBINFHSA-N -1 1 345.407 2.066 20 0 EEADMM C/C(Cl)=C/C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589905228 1349059260 /nfs/dbraw/zinc/05/92/60/1349059260.db2.gz VXLBMEXCZKBPTD-FPLPWBNLSA-N -1 1 347.741 2.273 20 0 EEADMM C[C@H](NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC001589947849 1349073894 /nfs/dbraw/zinc/07/38/94/1349073894.db2.gz ZCPDEGNFWBOTCV-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC001589947849 1349073900 /nfs/dbraw/zinc/07/39/00/1349073900.db2.gz ZCPDEGNFWBOTCV-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1N(C)C ZINC001589985234 1349091716 /nfs/dbraw/zinc/09/17/16/1349091716.db2.gz FXPKEVIJEPCJHC-SNVBAGLBSA-N -1 1 327.367 2.062 20 0 EEADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1N(C)C ZINC001589985234 1349091723 /nfs/dbraw/zinc/09/17/23/1349091723.db2.gz FXPKEVIJEPCJHC-SNVBAGLBSA-N -1 1 327.367 2.062 20 0 EEADMM C[C@](O)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC001589989487 1349095311 /nfs/dbraw/zinc/09/53/11/1349095311.db2.gz WGUYBYIGAZLMDY-KRWDZBQOSA-N -1 1 347.394 2.067 20 0 EEADMM C[C@](O)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC001589989487 1349095316 /nfs/dbraw/zinc/09/53/16/1349095316.db2.gz WGUYBYIGAZLMDY-KRWDZBQOSA-N -1 1 347.394 2.067 20 0 EEADMM CC1(C)C[C@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCS1 ZINC001590082597 1349143638 /nfs/dbraw/zinc/14/36/38/1349143638.db2.gz IITIHWMAKUYTCM-SNVBAGLBSA-N -1 1 333.421 2.057 20 0 EEADMM CC1(C)C[C@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCS1 ZINC001590082597 1349143641 /nfs/dbraw/zinc/14/36/41/1349143641.db2.gz IITIHWMAKUYTCM-SNVBAGLBSA-N -1 1 333.421 2.057 20 0 EEADMM CC1(C)CCC[C@@](O)(C(=O)OCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001590097279 1349153782 /nfs/dbraw/zinc/15/37/82/1349153782.db2.gz KKTKFOSEUBJYEM-HNNXBMFYSA-N -1 1 336.417 2.303 20 0 EEADMM C[C@]1(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)CC1(Cl)Cl ZINC001590142382 1349173616 /nfs/dbraw/zinc/17/36/16/1349173616.db2.gz ZOUILPUFAVIQEY-CYBMUJFWSA-N -1 1 340.214 2.101 20 0 EEADMM CC1CCC(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001590233121 1349216125 /nfs/dbraw/zinc/21/61/25/1349216125.db2.gz YPBUJDSOTNZGKO-UHFFFAOYSA-N -1 1 341.462 2.033 20 0 EEADMM C[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590247533 1349225589 /nfs/dbraw/zinc/22/55/89/1349225589.db2.gz BUBDHAPOACQXGE-TVQRCGJNSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590247533 1349225594 /nfs/dbraw/zinc/22/55/94/1349225594.db2.gz BUBDHAPOACQXGE-TVQRCGJNSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CC2(CCCC2)O1 ZINC001590300824 1349252144 /nfs/dbraw/zinc/25/21/44/1349252144.db2.gz IYDAKLDPIYKGDV-SNVBAGLBSA-N -1 1 333.417 2.102 20 0 EEADMM C[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C[C@@H](C2CC2)O1 ZINC001590314036 1349259362 /nfs/dbraw/zinc/25/93/62/1349259362.db2.gz PWTSKJZLNMJKLH-GTNSWQLSSA-N -1 1 336.399 2.419 20 0 EEADMM C[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C[C@@H](C2CC2)O1 ZINC001590314036 1349259366 /nfs/dbraw/zinc/25/93/66/1349259366.db2.gz PWTSKJZLNMJKLH-GTNSWQLSSA-N -1 1 336.399 2.419 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001590421196 1349317832 /nfs/dbraw/zinc/31/78/32/1349317832.db2.gz HLRVDSYVWMBGQL-ZCFIWIBFSA-N -1 1 349.342 2.484 20 0 EEADMM CC[C@H](CC(F)(F)F)NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590421196 1349317838 /nfs/dbraw/zinc/31/78/38/1349317838.db2.gz HLRVDSYVWMBGQL-ZCFIWIBFSA-N -1 1 349.342 2.484 20 0 EEADMM CCC(CC)n1nccc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001590436160 1349324316 /nfs/dbraw/zinc/32/43/16/1349324316.db2.gz GTXKHGQTVQOANY-UHFFFAOYSA-N -1 1 340.391 2.096 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)Oc1ccccc1C ZINC001590445327 1349327836 /nfs/dbraw/zinc/32/78/36/1349327836.db2.gz JXESTWSHNRQNQY-ZDUSSCGKSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)Oc1ccccc1C ZINC001590445327 1349327842 /nfs/dbraw/zinc/32/78/42/1349327842.db2.gz JXESTWSHNRQNQY-ZDUSSCGKSA-N -1 1 341.371 2.356 20 0 EEADMM CC[C@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001590446198 1349328304 /nfs/dbraw/zinc/32/83/04/1349328304.db2.gz PQADBRBPLUDXKJ-LLVKDONJSA-N -1 1 347.423 2.285 20 0 EEADMM CC[C@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001590446198 1349328310 /nfs/dbraw/zinc/32/83/10/1349328310.db2.gz PQADBRBPLUDXKJ-LLVKDONJSA-N -1 1 347.423 2.285 20 0 EEADMM CCCNc1ccc(CNC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001590639657 1349382476 /nfs/dbraw/zinc/38/24/76/1349382476.db2.gz HYALHCBBFZSWTK-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM CCCNc1ccc(CNC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001590639657 1349382482 /nfs/dbraw/zinc/38/24/82/1349382482.db2.gz HYALHCBBFZSWTK-UHFFFAOYSA-N -1 1 326.360 2.212 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)sc1C ZINC001590657284 1349383677 /nfs/dbraw/zinc/38/36/77/1349383677.db2.gz JORBWSNAPIWBFR-UHFFFAOYSA-N -1 1 345.432 2.483 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)sc1C ZINC001590657284 1349383679 /nfs/dbraw/zinc/38/36/79/1349383679.db2.gz JORBWSNAPIWBFR-UHFFFAOYSA-N -1 1 345.432 2.483 20 0 EEADMM CCCc1cc(=O)[n-]c(SCc2cc(-c3nn[nH]n3)ccn2)n1 ZINC001590657630 1349384039 /nfs/dbraw/zinc/38/40/39/1349384039.db2.gz QIZPICOGGPAADC-UHFFFAOYSA-N -1 1 329.389 2.002 20 0 EEADMM CCc1nc(Nc2cnn(CC(C)C)c2C)cc(-c2nnn[n-]2)n1 ZINC001590924382 1349414546 /nfs/dbraw/zinc/41/45/46/1349414546.db2.gz FBBYDHWTJZMWIA-UHFFFAOYSA-N -1 1 327.396 2.124 20 0 EEADMM CCc1nc(Nc2cnn(CC(C)C)c2C)cc(-c2nn[n-]n2)n1 ZINC001590924382 1349414552 /nfs/dbraw/zinc/41/45/52/1349414552.db2.gz FBBYDHWTJZMWIA-UHFFFAOYSA-N -1 1 327.396 2.124 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(C)nc1-c1nnn[n-]1 ZINC001590929164 1349416108 /nfs/dbraw/zinc/41/61/08/1349416108.db2.gz VSSKOXQWZYDQHP-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CCc1nn(C)c(CC)c1CNc1ccc(C)nc1-c1nn[n-]n1 ZINC001590929164 1349416119 /nfs/dbraw/zinc/41/61/19/1349416119.db2.gz VSSKOXQWZYDQHP-UHFFFAOYSA-N -1 1 326.408 2.041 20 0 EEADMM CCc1nn(Cc2ccc(C)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929799 1349417195 /nfs/dbraw/zinc/41/71/95/1349417195.db2.gz WMAPRSMKKFUXBX-UHFFFAOYSA-N -1 1 342.378 2.044 20 0 EEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590948225 1349421284 /nfs/dbraw/zinc/42/12/84/1349421284.db2.gz LJKMKNWUUBZJKF-UHFFFAOYSA-N -1 1 337.343 2.390 20 0 EEADMM CCn1c2ccc(C)cc2nc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590948225 1349421288 /nfs/dbraw/zinc/42/12/88/1349421288.db2.gz LJKMKNWUUBZJKF-UHFFFAOYSA-N -1 1 337.343 2.390 20 0 EEADMM COC(=O)C(C)(C)CSc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001591226774 1349450871 /nfs/dbraw/zinc/45/08/71/1349450871.db2.gz JQPTVZJISKTTQA-UHFFFAOYSA-N -1 1 344.400 2.101 20 0 EEADMM COc1cc(SC)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591555432 1349506474 /nfs/dbraw/zinc/50/64/74/1349506474.db2.gz VPYXDKCTCOQFJS-UHFFFAOYSA-N -1 1 331.357 2.443 20 0 EEADMM COc1ccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001591595642 1349511843 /nfs/dbraw/zinc/51/18/43/1349511843.db2.gz VCCVBWUSFQVXKZ-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001591595642 1349511848 /nfs/dbraw/zinc/51/18/48/1349511848.db2.gz VCCVBWUSFQVXKZ-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001591719728 1349534443 /nfs/dbraw/zinc/53/44/43/1349534443.db2.gz OPCYZASSJBCWRF-JTQLQIEISA-N -1 1 332.412 2.033 20 0 EEADMM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001591719728 1349534455 /nfs/dbraw/zinc/53/44/55/1349534455.db2.gz OPCYZASSJBCWRF-JTQLQIEISA-N -1 1 332.412 2.033 20 0 EEADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)ccc1F ZINC001591965434 1349569527 /nfs/dbraw/zinc/56/95/27/1349569527.db2.gz FWHCFJNGXMASJS-UHFFFAOYSA-N -1 1 346.753 2.293 20 0 EEADMM Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cs1 ZINC001592202696 1349606916 /nfs/dbraw/zinc/60/69/16/1349606916.db2.gz LDNDMYGQAVLCRM-UHFFFAOYSA-N -1 1 338.396 2.303 20 0 EEADMM Cc1ccc2c(CC(=O)Nc3c[nH]nc3-c3nn[n-]n3)coc2c1C ZINC001592200532 1349607822 /nfs/dbraw/zinc/60/78/22/1349607822.db2.gz UFRAVDUOZCMKMX-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(-c3nnn[n-]3)nc1)[C@H](C)C2 ZINC001592205727 1349609540 /nfs/dbraw/zinc/60/95/40/1349609540.db2.gz XLBDHGCPENXKGT-XIKOKIGWSA-N -1 1 348.410 2.162 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(-c3nn[n-]n3)nc1)[C@H](C)C2 ZINC001592205727 1349609547 /nfs/dbraw/zinc/60/95/47/1349609547.db2.gz XLBDHGCPENXKGT-XIKOKIGWSA-N -1 1 348.410 2.162 20 0 EEADMM Cc1ccc2sc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)cc2c1 ZINC001592210035 1349610435 /nfs/dbraw/zinc/61/04/35/1349610435.db2.gz IWCJEXJMRYTGDI-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1csc(CCC(=O)OCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592313098 1349619336 /nfs/dbraw/zinc/61/93/36/1349619336.db2.gz BGTSLPXBLKAGHW-UHFFFAOYSA-N -1 1 335.414 2.369 20 0 EEADMM Cc1nc(NCCc2cccc3cccnc32)cc(-c2nnn[n-]2)n1 ZINC001592391876 1349626914 /nfs/dbraw/zinc/62/69/14/1349626914.db2.gz VRCYANJCXOBBIG-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nc(NCCc2cccc3cccnc32)cc(-c2nn[n-]n2)n1 ZINC001592391876 1349626917 /nfs/dbraw/zinc/62/69/17/1349626917.db2.gz VRCYANJCXOBBIG-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001592427072 1349629825 /nfs/dbraw/zinc/62/98/25/1349629825.db2.gz LOCDMKNBJQUKTH-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001592427072 1349629830 /nfs/dbraw/zinc/62/98/30/1349629830.db2.gz LOCDMKNBJQUKTH-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1nn2c(c1Cl)N(C(=O)c1csc(-c3nn[n-]n3)c1)CCC2 ZINC001592437468 1349632086 /nfs/dbraw/zinc/63/20/86/1349632086.db2.gz FTPWNZAUSWFZDZ-UHFFFAOYSA-N -1 1 349.807 2.137 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001592515426 1349644527 /nfs/dbraw/zinc/64/45/27/1349644527.db2.gz GQGZIIGSQQMRMN-CMPLNLGQSA-N -1 1 346.435 2.379 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001592515426 1349644528 /nfs/dbraw/zinc/64/45/28/1349644528.db2.gz GQGZIIGSQQMRMN-CMPLNLGQSA-N -1 1 346.435 2.379 20 0 EEADMM Clc1cccc([C@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001592535067 1349650338 /nfs/dbraw/zinc/65/03/38/1349650338.db2.gz WZHRVHSWGMSDTM-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001592535067 1349650339 /nfs/dbraw/zinc/65/03/39/1349650339.db2.gz WZHRVHSWGMSDTM-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccccc1[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001592535999 1349651236 /nfs/dbraw/zinc/65/12/36/1349651236.db2.gz IVVBKDBLDOZRAS-MGCOHNPYSA-N -1 1 327.779 2.090 20 0 EEADMM Cn1c(=O)[nH]c2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc21 ZINC001592545331 1349654560 /nfs/dbraw/zinc/65/45/60/1349654560.db2.gz VFLJPVTYRULOSG-UHFFFAOYSA-N -1 1 327.373 2.133 20 0 EEADMM Cn1ncc2ccc(CNc3nc(-c4nn[n-]n4)c(Cl)s3)cc21 ZINC001592603448 1349667920 /nfs/dbraw/zinc/66/79/20/1349667920.db2.gz UZTKTHVXSAQWDU-UHFFFAOYSA-N -1 1 346.807 2.475 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001592615740 1349671741 /nfs/dbraw/zinc/67/17/41/1349671741.db2.gz FKEJXOFQKQFMQP-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001592615740 1349671745 /nfs/dbraw/zinc/67/17/45/1349671745.db2.gz FKEJXOFQKQFMQP-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM F[C@@H]1COc2ccccc2[C@H]1NCc1csc(-c2nn[n-]n2)c1 ZINC001592631928 1349681702 /nfs/dbraw/zinc/68/17/02/1349681702.db2.gz KTSMPLZMUBHCEY-BXUZGUMPSA-N -1 1 331.376 2.490 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@@H](Nc1cc(-c3nnn[n-]3)ncn1)CC2 ZINC001592642786 1349689640 /nfs/dbraw/zinc/68/96/40/1349689640.db2.gz DLMRYVZSAUQPID-QMMMGPOBSA-N -1 1 333.277 2.173 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@@H](Nc1cc(-c3nn[n-]n3)ncn1)CC2 ZINC001592642786 1349689646 /nfs/dbraw/zinc/68/96/46/1349689646.db2.gz DLMRYVZSAUQPID-QMMMGPOBSA-N -1 1 333.277 2.173 20 0 EEADMM Fc1ccc([C@H]2C[C@@H](Nc3ncncc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647043 1349692747 /nfs/dbraw/zinc/69/27/47/1349692747.db2.gz HJOGXMHWRLWZGJ-GXTWGEPZSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC001593146524 1349742519 /nfs/dbraw/zinc/74/25/19/1349742519.db2.gz RJMXSUAPTIBARR-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC001593146524 1349742528 /nfs/dbraw/zinc/74/25/28/1349742528.db2.gz RJMXSUAPTIBARR-UHFFFAOYSA-N -1 1 345.366 2.187 20 0 EEADMM O=C(NCc1cccc(C(F)(F)F)c1)c1coc(-c2nnn[n-]2)c1 ZINC001593144877 1349742665 /nfs/dbraw/zinc/74/26/65/1349742665.db2.gz PRLBHLQXAIUPGO-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(NCc1cccc(C(F)(F)F)c1)c1coc(-c2nn[n-]n2)c1 ZINC001593144877 1349742667 /nfs/dbraw/zinc/74/26/67/1349742667.db2.gz PRLBHLQXAIUPGO-UHFFFAOYSA-N -1 1 337.261 2.409 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2cccc(F)c2o1 ZINC001593146568 1349742679 /nfs/dbraw/zinc/74/26/79/1349742679.db2.gz UEFBRSBNSHSSGN-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2cccc(F)c2o1 ZINC001593146568 1349742682 /nfs/dbraw/zinc/74/26/82/1349742682.db2.gz UEFBRSBNSHSSGN-UHFFFAOYSA-N -1 1 338.302 2.077 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c(=O)c2ccccc12 ZINC001593202520 1349746256 /nfs/dbraw/zinc/74/62/56/1349746256.db2.gz CULYKQSPJYRELB-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593243408 1349748809 /nfs/dbraw/zinc/74/88/09/1349748809.db2.gz KXCYSIMCZQMNDA-ACJLOTCBSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001593243408 1349748814 /nfs/dbraw/zinc/74/88/14/1349748814.db2.gz KXCYSIMCZQMNDA-ACJLOTCBSA-N -1 1 347.382 2.067 20 0 EEADMM O=C(OC/C=C\Br)c1cccc(F)c1-c1nnn[n-]1 ZINC001593286609 1349764016 /nfs/dbraw/zinc/76/40/16/1349764016.db2.gz LLQVOPMGVBZESO-DJWKRKHSSA-N -1 1 327.113 2.071 20 0 EEADMM O=C(OC/C=C\Br)c1cccc(F)c1-c1nn[n-]n1 ZINC001593286609 1349764023 /nfs/dbraw/zinc/76/40/23/1349764023.db2.gz LLQVOPMGVBZESO-DJWKRKHSSA-N -1 1 327.113 2.071 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001593339073 1349784376 /nfs/dbraw/zinc/78/43/76/1349784376.db2.gz MMOYHNVWTUZQFA-UHFFFAOYSA-N -1 1 347.737 2.451 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001593339073 1349784380 /nfs/dbraw/zinc/78/43/80/1349784380.db2.gz MMOYHNVWTUZQFA-UHFFFAOYSA-N -1 1 347.737 2.451 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1Cc2cccc(Cl)c2C1 ZINC001593348716 1349788371 /nfs/dbraw/zinc/78/83/71/1349788371.db2.gz NBNMNUABZIRNPM-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1Cc2cccc(Cl)c2C1 ZINC001593348716 1349788373 /nfs/dbraw/zinc/78/83/73/1349788373.db2.gz NBNMNUABZIRNPM-UHFFFAOYSA-N -1 1 326.747 2.071 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](COc2ccccc2)C1 ZINC001593367006 1349791449 /nfs/dbraw/zinc/79/14/49/1349791449.db2.gz GHPOHKJXCSHWEA-LBPRGKRZSA-N -1 1 339.355 2.001 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](COc2ccccc2)C1 ZINC001593367006 1349791452 /nfs/dbraw/zinc/79/14/52/1349791452.db2.gz GHPOHKJXCSHWEA-LBPRGKRZSA-N -1 1 339.355 2.001 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC001593492830 1349818223 /nfs/dbraw/zinc/81/82/23/1349818223.db2.gz PSGQXKZFMLXDIY-MRXNPFEDSA-N -1 1 348.410 2.213 20 0 EEADMM OCC[C@@H]1CCc2ccccc2N1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593530394 1349832621 /nfs/dbraw/zinc/83/26/21/1349832621.db2.gz DGGUSRXUJDIPJE-LBPRGKRZSA-N -1 1 342.428 2.027 20 0 EEADMM OCC[C@@H]1CCc2ccccc2N1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593530394 1349832622 /nfs/dbraw/zinc/83/26/22/1349832622.db2.gz DGGUSRXUJDIPJE-LBPRGKRZSA-N -1 1 342.428 2.027 20 0 EEADMM [O-]c1ccc(-c2noc(Cc3ccc(-c4nn[nH]n4)cc3)n2)c(F)c1 ZINC001593539116 1349834588 /nfs/dbraw/zinc/83/45/88/1349834588.db2.gz HXDREZOSCYPYRC-UHFFFAOYSA-N -1 1 338.302 2.352 20 0 EEADMM c1cc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001593560125 1349849903 /nfs/dbraw/zinc/84/99/03/1349849903.db2.gz XQDGMBQSEXVKET-OAHLLOKOSA-N -1 1 349.398 2.192 20 0 EEADMM c1cc(N2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc(-c2nn[n-]n2)n1 ZINC001593560125 1349849907 /nfs/dbraw/zinc/84/99/07/1349849907.db2.gz XQDGMBQSEXVKET-OAHLLOKOSA-N -1 1 349.398 2.192 20 0 EEADMM c1ccc([C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC23CCC3)cc1 ZINC001593573288 1349856757 /nfs/dbraw/zinc/85/67/57/1349856757.db2.gz NNEXAKYQSFGQBW-AWEZNQCLSA-N -1 1 333.399 2.431 20 0 EEADMM Cc1c(NC(=O)Cc2cnc[nH]2)cc(Br)cc1C(=O)[O-] ZINC001600035606 1349959029 /nfs/dbraw/zinc/95/90/29/1349959029.db2.gz RVEONASNVQUALU-UHFFFAOYSA-N -1 1 338.161 2.360 20 0 EEADMM Cc1cc(CNCc2ccc3c(c2)sc(=O)n3C)oc1C(=O)[O-] ZINC001600209294 1349993602 /nfs/dbraw/zinc/99/36/02/1349993602.db2.gz HBKYEZSSDJJXLJ-UHFFFAOYSA-N -1 1 332.381 2.489 20 0 EEADMM Cc1cc2ccccc2nc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600309682 1350016996 /nfs/dbraw/zinc/01/69/96/1350016996.db2.gz SAEMVFNQBSKMSM-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)NC(C)(C)c1cnn(C)c1 ZINC001600353005 1350026916 /nfs/dbraw/zinc/02/69/16/1350026916.db2.gz QQPGRXWXLFMGLI-GFCCVEGCSA-N -1 1 344.415 2.279 20 0 EEADMM Cc1cccc(CN2CCN(Cc3cncc(C(=O)[O-])c3)CC2)c1 ZINC001600533454 1350075805 /nfs/dbraw/zinc/07/58/05/1350075805.db2.gz RTUFYKSCEZVYEM-UHFFFAOYSA-N -1 1 325.412 2.406 20 0 EEADMM Cc1cccn2c(=O)cc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])nc12 ZINC001600588646 1350091342 /nfs/dbraw/zinc/09/13/42/1350091342.db2.gz KSRWDSLXJUGYGX-KRWDZBQOSA-N -1 1 349.390 2.014 20 0 EEADMM Cc1cnn([C@H]2CCN(Cn3ncc4c3ccc(C)c4C(=O)[O-])C2)c1 ZINC001600637684 1350103624 /nfs/dbraw/zinc/10/36/24/1350103624.db2.gz UWGJDJVMXOSERU-AWEZNQCLSA-N -1 1 339.399 2.452 20 0 EEADMM Cc1n[nH]nc1C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001600675485 1350114764 /nfs/dbraw/zinc/11/47/64/1350114764.db2.gz BQYMNKQDVQXJKA-ZDUSSCGKSA-N -1 1 343.170 2.150 20 0 EEADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@H](C)C(=O)NCC(=O)[O-] ZINC001600679269 1350115776 /nfs/dbraw/zinc/11/57/76/1350115776.db2.gz WEWLBVDASJPHOM-ZYHUDNBSSA-N -1 1 347.440 2.358 20 0 EEADMM Cc1nc(NC(=O)[C@@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC001600711011 1350119384 /nfs/dbraw/zinc/11/93/84/1350119384.db2.gz ZZYCDIXTGSXZDY-RISCZKNCSA-N -1 1 347.440 2.372 20 0 EEADMM Cc1sc(C)c(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)cnn1C ZINC001600876067 1350158370 /nfs/dbraw/zinc/15/83/70/1350158370.db2.gz DYYVLBANOLBCBA-UHFFFAOYSA-N -1 1 349.821 2.251 20 0 EEADMM NC(=O)C[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001601148549 1350220439 /nfs/dbraw/zinc/22/04/39/1350220439.db2.gz SUYOCYINYIWGCB-LBPRGKRZSA-N -1 1 343.383 2.127 20 0 EEADMM Nc1ncccc1CN[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001601221785 1350235582 /nfs/dbraw/zinc/23/55/82/1350235582.db2.gz QDVXCLAVNXSJPL-GFCCVEGCSA-N -1 1 336.189 2.342 20 0 EEADMM O=C([O-])c1cncc(CN2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC001601253043 1350241958 /nfs/dbraw/zinc/24/19/58/1350241958.db2.gz PAJLZDBPOFGTBV-UHFFFAOYSA-N -1 1 345.443 2.441 20 0 EEADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC001601306643 1350253958 /nfs/dbraw/zinc/25/39/58/1350253958.db2.gz WXOBXNXVFRESHW-RWMBFGLXSA-N -1 1 337.807 2.249 20 0 EEADMM O=C(CN1CCC[C@]2(CCSC2)C1)NC1(C(=O)[O-])CCCCC1 ZINC001601314738 1350255310 /nfs/dbraw/zinc/25/53/10/1350255310.db2.gz PBFMXAOLPPQMJS-INIZCTEOSA-N -1 1 340.489 2.109 20 0 EEADMM O=C([O-])c1ccccc1CCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC001601375507 1350269626 /nfs/dbraw/zinc/26/96/26/1350269626.db2.gz NPBPRCGTAQQHKL-UHFFFAOYSA-N -1 1 328.368 2.315 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)Cc2ccccc21 ZINC001601847456 1350379868 /nfs/dbraw/zinc/37/98/68/1350379868.db2.gz LAFRSOBIKYEOPC-SNVBAGLBSA-N -1 1 339.273 2.253 20 0 EEADMM O=C([O-])C[C@H]1CN(CCc2ccc(OC(F)(F)F)cc2)CCO1 ZINC001601961298 1350406579 /nfs/dbraw/zinc/40/65/79/1350406579.db2.gz FWRHRNBAJZJYFG-ZDUSSCGKSA-N -1 1 333.306 2.303 20 0 EEADMM O=C([O-])COc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC001602082168 1350432292 /nfs/dbraw/zinc/43/22/92/1350432292.db2.gz IHBVETJOMWRADV-GOSISDBHSA-N -1 1 327.380 2.242 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)c2cnncc2O)c2ccccc12 ZINC001602091280 1350435225 /nfs/dbraw/zinc/43/52/25/1350435225.db2.gz WTJYXOSUOYCSFD-UHFFFAOYSA-N -1 1 339.307 2.051 20 0 EEADMM O=C([O-])C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC001602110274 1350440791 /nfs/dbraw/zinc/44/07/91/1350440791.db2.gz BKPONKKHAOUTQD-QLFBSQMISA-N -1 1 349.431 2.359 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)C2CCC(N3CCOCC3)CC2)c1 ZINC001602138005 1350448094 /nfs/dbraw/zinc/44/80/94/1350448094.db2.gz WDCHEGIUNVWBMY-UHFFFAOYSA-N -1 1 346.427 2.143 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc3nonc3c2)C1 ZINC001602196078 1350463362 /nfs/dbraw/zinc/46/33/62/1350463362.db2.gz ULMIMOBCHSPAQZ-ZJUUUORDSA-N -1 1 329.278 2.308 20 0 EEADMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC001602217468 1350468867 /nfs/dbraw/zinc/46/88/67/1350468867.db2.gz IITJSNFMUGOHEJ-DTWKUNHWSA-N -1 1 331.294 2.012 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NC2CCC(C3CCC3)CC2)on1 ZINC001602293622 1350487160 /nfs/dbraw/zinc/48/71/60/1350487160.db2.gz AYSXYSVROXVJHP-UHFFFAOYSA-N -1 1 328.390 2.010 20 0 EEADMM O=C([O-])c1cccc2c(CN3CCN(c4cccnn4)CC3)ccnc12 ZINC001602453758 1350523019 /nfs/dbraw/zinc/52/30/19/1350523019.db2.gz SXZWOVGSNIOZBS-UHFFFAOYSA-N -1 1 349.394 2.045 20 0 EEADMM O=C([O-])c1cnc(CC[NH2+][C@H](c2nnc[n-]2)C2CCCCC2)s1 ZINC001602517780 1350536135 /nfs/dbraw/zinc/53/61/35/1350536135.db2.gz VMRGXJCIEGOAHN-ZDUSSCGKSA-N -1 1 335.433 2.413 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001602906075 1350603291 /nfs/dbraw/zinc/60/32/91/1350603291.db2.gz LCUGAGJCFQCUMQ-SOFGYWHQSA-N -1 1 329.751 2.285 20 0 EEADMM CC(C)(C)OC(=O)CSc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001603085252 1350637512 /nfs/dbraw/zinc/63/75/12/1350637512.db2.gz MRIOYHXASODKID-UHFFFAOYSA-N -1 1 333.826 2.410 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603068390 1350631565 /nfs/dbraw/zinc/63/15/65/1350631565.db2.gz ZXCQPGNNRQNTKD-ZWNOBZJWSA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603068390 1350631568 /nfs/dbraw/zinc/63/15/68/1350631568.db2.gz ZXCQPGNNRQNTKD-ZWNOBZJWSA-N -1 1 333.392 2.031 20 0 EEADMM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cnc3nc[nH]c3c2)n1 ZINC001603280812 1350679240 /nfs/dbraw/zinc/67/92/40/1350679240.db2.gz HAJCDRKPZTYHIN-UHFFFAOYSA-N -1 1 331.357 2.029 20 0 EEADMM C[C@@H](C1CC1)n1nccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603435821 1350704281 /nfs/dbraw/zinc/70/42/81/1350704281.db2.gz BUNDEPKYSWEXPC-QMMMGPOBSA-N -1 1 329.389 2.348 20 0 EEADMM CC1(C)Cc2cccc(NC(=O)c3ccnc(-c4nnn[n-]4)c3)c2O1 ZINC001603793371 1350769550 /nfs/dbraw/zinc/76/95/50/1350769550.db2.gz UQRNEATUHRRZAJ-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC1(C)Cc2cccc(NC(=O)c3ccnc(-c4nn[n-]n4)c3)c2O1 ZINC001603793371 1350769554 /nfs/dbraw/zinc/76/95/54/1350769554.db2.gz UQRNEATUHRRZAJ-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM C[C@@H]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001603880830 1350790528 /nfs/dbraw/zinc/79/05/28/1350790528.db2.gz ILUPSIGJDLZICK-APPZFPTMSA-N -1 1 340.309 2.199 20 0 EEADMM CC1CCN(c2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)CC1 ZINC001603910825 1350799879 /nfs/dbraw/zinc/79/98/79/1350799879.db2.gz XWYBGHNPABQRND-UHFFFAOYSA-N -1 1 336.403 2.059 20 0 EEADMM C[C@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603948214 1350810238 /nfs/dbraw/zinc/81/02/38/1350810238.db2.gz LTLWJLXGRDMTMW-XPTSAGLGSA-N -1 1 326.312 2.386 20 0 EEADMM CC/C(C)=C/C(=O)N[C@H](C)[C@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001603991695 1350823307 /nfs/dbraw/zinc/82/33/07/1350823307.db2.gz XMKBFWCFIMTZMC-PSFRMBJNSA-N -1 1 349.464 2.293 20 0 EEADMM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1cccc(F)n1 ZINC001604076251 1350848311 /nfs/dbraw/zinc/84/83/11/1350848311.db2.gz POEOLKPZKOAPGE-LLVKDONJSA-N -1 1 331.347 2.426 20 0 EEADMM CC[C@@H]1CCCN1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001604105579 1350859072 /nfs/dbraw/zinc/85/90/72/1350859072.db2.gz KGWSXBYUUYWRET-ZCFIWIBFSA-N -1 1 327.801 2.383 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604135420 1350868846 /nfs/dbraw/zinc/86/88/46/1350868846.db2.gz WGDVWUXIGRPEIE-CMPLNLGQSA-N -1 1 349.464 2.433 20 0 EEADMM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604135420 1350868849 /nfs/dbraw/zinc/86/88/49/1350868849.db2.gz WGDVWUXIGRPEIE-CMPLNLGQSA-N -1 1 349.464 2.433 20 0 EEADMM CCCCC(=O)N(C)C[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001604156760 1350877705 /nfs/dbraw/zinc/87/77/05/1350877705.db2.gz IGMXLKWSJRVBTH-SECBINFHSA-N -1 1 337.453 2.081 20 0 EEADMM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001604163203 1350880985 /nfs/dbraw/zinc/88/09/85/1350880985.db2.gz PDTMHQLNLDXZTN-SNVBAGLBSA-N -1 1 341.412 2.205 20 0 EEADMM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001604318405 1350914058 /nfs/dbraw/zinc/91/40/58/1350914058.db2.gz JLZKPWSBJYIKRP-PRHODGIISA-N -1 1 330.306 2.485 20 0 EEADMM C[C@@H](N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(C(=O)[O-])c1 ZINC001604329375 1350916864 /nfs/dbraw/zinc/91/68/64/1350916864.db2.gz JGVVUTJJSIOJQT-RISCZKNCSA-N -1 1 343.358 2.375 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C1(CC)CC ZINC001604412128 1350933139 /nfs/dbraw/zinc/93/31/39/1350933139.db2.gz HWJWFKKLUMVUOG-QWHCGFSZSA-N -1 1 333.392 2.173 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C1(CC)CC ZINC001604412128 1350933140 /nfs/dbraw/zinc/93/31/40/1350933140.db2.gz HWJWFKKLUMVUOG-QWHCGFSZSA-N -1 1 333.392 2.173 20 0 EEADMM CCn1c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC001604595355 1350967204 /nfs/dbraw/zinc/96/72/04/1350967204.db2.gz ONZIYIRZNAGUBI-UHFFFAOYSA-N -1 1 347.382 2.166 20 0 EEADMM CCn1c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC001604595355 1350967207 /nfs/dbraw/zinc/96/72/07/1350967207.db2.gz ONZIYIRZNAGUBI-UHFFFAOYSA-N -1 1 347.382 2.166 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN[C@H](C)c2cn(-c3ccccc3)nn2)O1 ZINC001604613522 1350970058 /nfs/dbraw/zinc/97/00/58/1350970058.db2.gz LFLXKQIOQOGPCW-BXUZGUMPSA-N -1 1 328.372 2.065 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC001604637419 1350974522 /nfs/dbraw/zinc/97/45/22/1350974522.db2.gz RZQCHRKPTFXKNR-BXKDBHETSA-N -1 1 328.315 2.022 20 0 EEADMM C[C@@H]1CCN(CC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001604751394 1350997065 /nfs/dbraw/zinc/99/70/65/1350997065.db2.gz DLSRBNHUUITBJN-QMTHXVAHSA-N -1 1 344.333 2.289 20 0 EEADMM COC(=O)c1cc(NCc2cccc(-c3nnn[n-]3)n2)c(C)cc1C ZINC001604967167 1351041432 /nfs/dbraw/zinc/04/14/32/1351041432.db2.gz BLYHWMKULALEDD-UHFFFAOYSA-N -1 1 338.371 2.277 20 0 EEADMM COC(=O)c1cc(NCc2cccc(-c3nn[n-]n3)n2)c(C)cc1C ZINC001604967167 1351041436 /nfs/dbraw/zinc/04/14/36/1351041436.db2.gz BLYHWMKULALEDD-UHFFFAOYSA-N -1 1 338.371 2.277 20 0 EEADMM COC(=O)c1ccc(NC2CCC(F)(F)CC2)c(-c2nnn[n-]2)n1 ZINC001604975302 1351042937 /nfs/dbraw/zinc/04/29/37/1351042937.db2.gz RSRRYJATNDDNCZ-UHFFFAOYSA-N -1 1 338.318 2.038 20 0 EEADMM COC(=O)c1ccc(NC2CCC(F)(F)CC2)c(-c2nn[n-]n2)n1 ZINC001604975302 1351042941 /nfs/dbraw/zinc/04/29/41/1351042941.db2.gz RSRRYJATNDDNCZ-UHFFFAOYSA-N -1 1 338.318 2.038 20 0 EEADMM COC(=O)c1csc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001604990701 1351047522 /nfs/dbraw/zinc/04/75/22/1351047522.db2.gz ZJJNDULRIYHMKA-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1csc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001604990701 1351047526 /nfs/dbraw/zinc/04/75/26/1351047526.db2.gz ZJJNDULRIYHMKA-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CO[C@@](C)(C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001604995627 1351048248 /nfs/dbraw/zinc/04/82/48/1351048248.db2.gz OHLLHFWERXNRRR-OAHLLOKOSA-N -1 1 344.400 2.132 20 0 EEADMM CO[C@@](C)(C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001604995627 1351048250 /nfs/dbraw/zinc/04/82/50/1351048250.db2.gz OHLLHFWERXNRRR-OAHLLOKOSA-N -1 1 344.400 2.132 20 0 EEADMM CO[C@@H](CNC(=O)c1ccsc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001605007663 1351051987 /nfs/dbraw/zinc/05/19/87/1351051987.db2.gz CDXYGPXKUVNHKQ-LBPRGKRZSA-N -1 1 347.375 2.185 20 0 EEADMM CO[C@@H](CNC(=O)c1ccsc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001605007663 1351051989 /nfs/dbraw/zinc/05/19/89/1351051989.db2.gz CDXYGPXKUVNHKQ-LBPRGKRZSA-N -1 1 347.375 2.185 20 0 EEADMM CC[C@@](COC)(NCc1ccn(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001605055561 1351067475 /nfs/dbraw/zinc/06/74/75/1351067475.db2.gz DMWVVWDWSXKWTA-INIZCTEOSA-N -1 1 339.342 2.120 20 0 EEADMM COCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccc(C)o1 ZINC001605079967 1351074144 /nfs/dbraw/zinc/07/41/44/1351074144.db2.gz TYEQPVGNTQDOIR-GFCCVEGCSA-N -1 1 345.359 2.177 20 0 EEADMM COCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccc(C)o1 ZINC001605079967 1351074148 /nfs/dbraw/zinc/07/41/48/1351074148.db2.gz TYEQPVGNTQDOIR-GFCCVEGCSA-N -1 1 345.359 2.177 20 0 EEADMM CC[C@H]1[C@@H](CO)CCN1Cc1oc(Br)cc1C(=O)[O-] ZINC001605151834 1351089212 /nfs/dbraw/zinc/08/92/12/1351089212.db2.gz PBZAFPFGEPRPEE-SCZZXKLOSA-N -1 1 332.194 2.333 20 0 EEADMM COc1ncc(NC(=O)c2cccc(C)c2Cl)cc1-c1nn[n-]n1 ZINC001605348297 1351142849 /nfs/dbraw/zinc/14/28/49/1351142849.db2.gz KSBBZDNSHZAIDJ-UHFFFAOYSA-N -1 1 344.762 2.484 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(Cc2ccccc2)CC(F)F)n1 ZINC001605558728 1351190162 /nfs/dbraw/zinc/19/01/62/1351190162.db2.gz WNQYMQIFVBNFFB-UHFFFAOYSA-N -1 1 331.330 2.237 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(Cc2ccccc2)CC(F)F)n1 ZINC001605558728 1351190166 /nfs/dbraw/zinc/19/01/66/1351190166.db2.gz WNQYMQIFVBNFFB-UHFFFAOYSA-N -1 1 331.330 2.237 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001605563313 1351190910 /nfs/dbraw/zinc/19/09/10/1351190910.db2.gz JMKQRZHYUFXQDY-VNHYZAJKSA-N -1 1 349.431 2.360 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001605563313 1351190911 /nfs/dbraw/zinc/19/09/11/1351190911.db2.gz JMKQRZHYUFXQDY-VNHYZAJKSA-N -1 1 349.431 2.360 20 0 EEADMM Cc1cc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001605653080 1351211137 /nfs/dbraw/zinc/21/11/37/1351211137.db2.gz YRNUYMRMGPVCGO-ZDUSSCGKSA-N -1 1 338.375 2.172 20 0 EEADMM Cc1cc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001605653080 1351211141 /nfs/dbraw/zinc/21/11/41/1351211141.db2.gz YRNUYMRMGPVCGO-ZDUSSCGKSA-N -1 1 338.375 2.172 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001605842540 1351233596 /nfs/dbraw/zinc/23/35/96/1351233596.db2.gz VZQLJKABNHEJGH-HNNXBMFYSA-N -1 1 335.415 2.485 20 0 EEADMM Cc1ccc(C[C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001605842540 1351233598 /nfs/dbraw/zinc/23/35/98/1351233598.db2.gz VZQLJKABNHEJGH-HNNXBMFYSA-N -1 1 335.415 2.485 20 0 EEADMM CCc1nc(CNC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)n[nH]1 ZINC001605850823 1351236454 /nfs/dbraw/zinc/23/64/54/1351236454.db2.gz XNULVPRXLPHPMW-UHFFFAOYSA-N -1 1 347.375 2.174 20 0 EEADMM Cc1ccc(N2CCCN(c3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC001605867575 1351241780 /nfs/dbraw/zinc/24/17/80/1351241780.db2.gz QKJKCDPLNNINOQ-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM Cc1ccc(N2CCCN(c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001605867575 1351241782 /nfs/dbraw/zinc/24/17/82/1351241782.db2.gz QKJKCDPLNNINOQ-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM CCc1oc(C(=O)OC)cc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001605889267 1351247425 /nfs/dbraw/zinc/24/74/25/1351247425.db2.gz JXVWAUKFUBSOIK-CQSZACIVSA-N -1 1 349.305 2.468 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001605888757 1351247517 /nfs/dbraw/zinc/24/75/17/1351247517.db2.gz XHOGVZXMHYUJBT-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1ccc2c(c1C)N(C(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001605888757 1351247520 /nfs/dbraw/zinc/24/75/20/1351247520.db2.gz XHOGVZXMHYUJBT-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1[nH]nc(NCc2nc3c(s2)C[C@H](C)CC3)c1-c1nnn[n-]1 ZINC001606014016 1351263626 /nfs/dbraw/zinc/26/36/26/1351263626.db2.gz MHFHYKIXQJFKNO-SSDOTTSWSA-N -1 1 330.421 2.092 20 0 EEADMM Cc1[nH]nc(NCc2nc3c(s2)C[C@H](C)CC3)c1-c1nn[n-]n1 ZINC001606014016 1351263629 /nfs/dbraw/zinc/26/36/29/1351263629.db2.gz MHFHYKIXQJFKNO-SSDOTTSWSA-N -1 1 330.421 2.092 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001606105386 1351271477 /nfs/dbraw/zinc/27/14/77/1351271477.db2.gz WYENHIKMUUQJMT-UHFFFAOYSA-N -1 1 332.437 2.007 20 0 EEADMM Cc1nn(C(C)C)c(C)c1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001606105386 1351271480 /nfs/dbraw/zinc/27/14/80/1351271480.db2.gz WYENHIKMUUQJMT-UHFFFAOYSA-N -1 1 332.437 2.007 20 0 EEADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001606498983 1351312490 /nfs/dbraw/zinc/31/24/90/1351312490.db2.gz UNYVUZHEEBQLOV-LLVKDONJSA-N -1 1 329.360 2.003 20 0 EEADMM O=C(CCCc1ccccc1)OCc1nc(-c2nnn[n-]2)cs1 ZINC001606518593 1351315181 /nfs/dbraw/zinc/31/51/81/1351315181.db2.gz VUAPZSHGYVGQTL-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(CCCc1ccccc1)OCc1nc(-c2nn[n-]n2)cs1 ZINC001606518593 1351315185 /nfs/dbraw/zinc/31/51/85/1351315185.db2.gz VUAPZSHGYVGQTL-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM COC(=O)c1cc(NC(=O)CN2CC[C@@H](C)C[C@H]2C)cc(C(=O)[O-])c1 ZINC001606551264 1351321666 /nfs/dbraw/zinc/32/16/66/1351321666.db2.gz TZKTZFGMTKNHTF-VXGBXAGGSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N(C1CC1)C1CCCCC1 ZINC001606593522 1351328962 /nfs/dbraw/zinc/32/89/62/1351328962.db2.gz NTHHPWQXDYKPTD-UHFFFAOYSA-N -1 1 326.404 2.128 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N(C1CC1)C1CCCCC1 ZINC001606593522 1351328965 /nfs/dbraw/zinc/32/89/65/1351328965.db2.gz NTHHPWQXDYKPTD-UHFFFAOYSA-N -1 1 326.404 2.128 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606633066 1351334696 /nfs/dbraw/zinc/33/46/96/1351334696.db2.gz KCDVRUSPAPMBRF-DZGCQCFKSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606633066 1351334700 /nfs/dbraw/zinc/33/47/00/1351334700.db2.gz KCDVRUSPAPMBRF-DZGCQCFKSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606637577 1351335422 /nfs/dbraw/zinc/33/54/22/1351335422.db2.gz BWYXQNGUKFMHSE-MRXNPFEDSA-N -1 1 334.383 2.013 20 0 EEADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606637577 1351335426 /nfs/dbraw/zinc/33/54/26/1351335426.db2.gz BWYXQNGUKFMHSE-MRXNPFEDSA-N -1 1 334.383 2.013 20 0 EEADMM O=C(NC[C@H]1CC1(Cl)Cl)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606721201 1351346528 /nfs/dbraw/zinc/34/65/28/1351346528.db2.gz YEAJIFLSFRWMSI-ZCFIWIBFSA-N -1 1 348.140 2.069 20 0 EEADMM O=C(NC[C@H]1CC1(Cl)Cl)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606721201 1351346531 /nfs/dbraw/zinc/34/65/31/1351346531.db2.gz YEAJIFLSFRWMSI-ZCFIWIBFSA-N -1 1 348.140 2.069 20 0 EEADMM O=C(NCCc1cccc2[nH]ccc21)c1csc(-c2nn[n-]n2)c1 ZINC001606797319 1351358024 /nfs/dbraw/zinc/35/80/24/1351358024.db2.gz UTACDXSUEHQELE-UHFFFAOYSA-N -1 1 338.396 2.382 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(F)c(F)cc1F ZINC001606831123 1351363120 /nfs/dbraw/zinc/36/31/20/1351363120.db2.gz TVZQIODEMULAKS-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(NCc1cccc(F)c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606839276 1351365094 /nfs/dbraw/zinc/36/50/94/1351365094.db2.gz ZVULUOHBAAWPMA-UHFFFAOYSA-N -1 1 336.330 2.417 20 0 EEADMM O=C(NOc1ccc(F)cc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606863812 1351367880 /nfs/dbraw/zinc/36/78/80/1351367880.db2.gz RJOPZSRSJARFFC-UHFFFAOYSA-N -1 1 335.245 2.008 20 0 EEADMM O=C(NOc1ccc(F)cc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606863812 1351367884 /nfs/dbraw/zinc/36/78/84/1351367884.db2.gz RJOPZSRSJARFFC-UHFFFAOYSA-N -1 1 335.245 2.008 20 0 EEADMM O=C(Nc1ccc2c(c1)OCO2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606929489 1351378503 /nfs/dbraw/zinc/37/85/03/1351378503.db2.gz ZUOKMAHUUVFSBC-UHFFFAOYSA-N -1 1 345.265 2.126 20 0 EEADMM O=C(Nc1ccc2c(c1)OCO2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606929489 1351378506 /nfs/dbraw/zinc/37/85/06/1351378506.db2.gz ZUOKMAHUUVFSBC-UHFFFAOYSA-N -1 1 345.265 2.126 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC001606978570 1351390919 /nfs/dbraw/zinc/39/09/19/1351390919.db2.gz CFDZCDQVQMQHSI-FOSCPWQOSA-N -1 1 344.371 2.288 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC001606978570 1351390923 /nfs/dbraw/zinc/39/09/23/1351390923.db2.gz CFDZCDQVQMQHSI-FOSCPWQOSA-N -1 1 344.371 2.288 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001607017036 1351398367 /nfs/dbraw/zinc/39/83/67/1351398367.db2.gz KTHMGINLMDCXEC-MNOVXSKESA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001607017036 1351398370 /nfs/dbraw/zinc/39/83/70/1351398370.db2.gz KTHMGINLMDCXEC-MNOVXSKESA-N -1 1 333.417 2.102 20 0 EEADMM COc1c(NC[C@@H](C)N2CCc3ccccc3C2)ncnc1C(=O)[O-] ZINC001607034919 1351402575 /nfs/dbraw/zinc/40/25/75/1351402575.db2.gz BXMHZAFTQCDHPX-GFCCVEGCSA-N -1 1 342.399 2.042 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ncccc2Cl)c2ccccc12 ZINC001607089748 1351413547 /nfs/dbraw/zinc/41/35/47/1351413547.db2.gz LMLFQTQHZUSJJR-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM c1cc2nsnc2c(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)c1 ZINC001607119104 1351426928 /nfs/dbraw/zinc/42/69/28/1351426928.db2.gz LIMXTYHLIXQHGF-UHFFFAOYSA-N -1 1 339.388 2.084 20 0 EEADMM c1cc2nsnc2c(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)c1 ZINC001607119104 1351426930 /nfs/dbraw/zinc/42/69/30/1351426930.db2.gz LIMXTYHLIXQHGF-UHFFFAOYSA-N -1 1 339.388 2.084 20 0 EEADMM c1ccc2cc(OCCNc3cc(-c4nnn[n-]4)ncn3)ccc2c1 ZINC001607131730 1351432742 /nfs/dbraw/zinc/43/27/42/1351432742.db2.gz KWNDAKPRGUXEHF-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2cc(OCCNc3cc(-c4nn[n-]n4)ncn3)ccc2c1 ZINC001607131730 1351432744 /nfs/dbraw/zinc/43/27/44/1351432744.db2.gz KWNDAKPRGUXEHF-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2c(c1)C[C@@H](CNc1cc(-c3nnn[n-]3)nc(C3CC3)n1)CO2 ZINC001607131440 1351433088 /nfs/dbraw/zinc/43/30/88/1351433088.db2.gz DADYKYCRBBVMQZ-NSHDSACASA-N -1 1 349.398 2.197 20 0 EEADMM c1ccc2c(c1)C[C@@H](CNc1cc(-c3nn[n-]n3)nc(C3CC3)n1)CO2 ZINC001607131440 1351433093 /nfs/dbraw/zinc/43/30/93/1351433093.db2.gz DADYKYCRBBVMQZ-NSHDSACASA-N -1 1 349.398 2.197 20 0 EEADMM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C[C@H](C)CO)c1 ZINC001607200928 1351448045 /nfs/dbraw/zinc/44/80/45/1351448045.db2.gz ZDFPZKQDSCANGY-TVQRCGJNSA-N -1 1 346.221 2.144 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@H](N)c2cccc(Cl)c2)n1C ZINC001607513544 1351508689 /nfs/dbraw/zinc/50/86/89/1351508689.db2.gz SNVXIPXJFSRMFE-CQSZACIVSA-N -1 1 335.791 2.001 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)o1 ZINC001607609593 1351524449 /nfs/dbraw/zinc/52/44/49/1351524449.db2.gz OYORSQMPVQWNBR-WCQYABFASA-N -1 1 337.420 2.148 20 0 EEADMM Cc1cc(CC(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)[nH]n1 ZINC001607636332 1351530218 /nfs/dbraw/zinc/53/02/18/1351530218.db2.gz NRPOBKQLRGVMSU-CYBMUJFWSA-N -1 1 341.289 2.379 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC001607741490 1351550324 /nfs/dbraw/zinc/55/03/24/1351550324.db2.gz KFGLZTYNPPVQSH-CVEARBPZSA-N -1 1 346.427 2.380 20 0 EEADMM Cc1cccc2c(CC(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c[nH]c21 ZINC001607864722 1351574262 /nfs/dbraw/zinc/57/42/62/1351574262.db2.gz MKDVFABFIBLRNZ-AWEZNQCLSA-N -1 1 343.427 2.026 20 0 EEADMM O=C([O-])c1ccc(CC(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc1 ZINC001608359546 1351678494 /nfs/dbraw/zinc/67/84/94/1351678494.db2.gz LZGIFTROKOXMGR-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001608408686 1351688496 /nfs/dbraw/zinc/68/84/96/1351688496.db2.gz AQNNRGQNSIUUPG-HZPDHXFCSA-N -1 1 325.368 2.230 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3cccc4[nH]ccc43)nc2n1 ZINC001623442856 1352397386 /nfs/dbraw/zinc/39/73/86/1352397386.db2.gz KEUPJPWOKAHWPU-UHFFFAOYSA-N -1 1 336.355 2.104 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001626556494 1352466628 /nfs/dbraw/zinc/46/66/28/1352466628.db2.gz UBCDPFKUBSGPED-UHFFFAOYSA-N -1 1 349.301 2.149 20 0 EEADMM C[C@H](O)c1ncc(C(=O)[N-]c2nnc(-c3ccncc3)s2)s1 ZINC001632367358 1352596200 /nfs/dbraw/zinc/59/62/00/1352596200.db2.gz MYXXVXVRMLNQGA-ZETCQYMHSA-N -1 1 333.398 2.362 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ncnn1-c1ccccc1 ZINC001634495620 1352630139 /nfs/dbraw/zinc/63/01/39/1352630139.db2.gz KZZQFYSETBPAFT-UHFFFAOYSA-N -1 1 342.786 2.485 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2c(c1)CCCC2=O ZINC001642558001 1352733910 /nfs/dbraw/zinc/73/39/10/1352733910.db2.gz LRLYMMCLOCQATO-QGZVFWFLSA-N -1 1 347.378 2.238 20 0 EEADMM CC(C)(C)OC[C@H](NCc1ccncc1Br)C(=O)[O-] ZINC001646233079 1352823079 /nfs/dbraw/zinc/82/30/79/1352823079.db2.gz TZWNHHBLLJOPCY-NSHDSACASA-N -1 1 331.210 2.202 20 0 EEADMM Cc1n[nH]c(C)c1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001648730074 1353441782 /nfs/dbraw/zinc/44/17/82/1353441782.db2.gz MUNKYMPIGFHLQJ-UHFFFAOYSA-N -1 1 346.778 2.352 20 0 EEADMM Cc1n[nH]c(C)c1CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001648730074 1353441785 /nfs/dbraw/zinc/44/17/85/1353441785.db2.gz MUNKYMPIGFHLQJ-UHFFFAOYSA-N -1 1 346.778 2.352 20 0 EEADMM COCCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@H](C(C)C)CC1 ZINC001650418998 1353908850 /nfs/dbraw/zinc/90/88/50/1353908850.db2.gz NHHIUSMRNNCORI-ZDUSSCGKSA-N -1 1 348.451 2.283 20 0 EEADMM Cc1nnc(-c2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)o1 ZINC000073028480 1354337317 /nfs/dbraw/zinc/33/73/17/1354337317.db2.gz NISKPKADSRZNEC-UHFFFAOYSA-N -1 1 338.249 2.434 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1C[C@]1(C)CC ZINC001388576524 1387565005 /nfs/dbraw/zinc/56/50/05/1387565005.db2.gz WDDPTLYWGFKARG-ACJLOTCBSA-N -1 1 333.432 2.192 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)CN(C)Cc2c(F)cccc2F)cc1 ZINC000815170349 1367825417 /nfs/dbraw/zinc/82/54/17/1367825417.db2.gz QSUATZLQBDUINJ-UHFFFAOYSA-N -1 1 348.349 2.362 20 0 EEADMM O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)c1n[n-]nc1C(F)(F)F ZINC001187773236 1368262261 /nfs/dbraw/zinc/26/22/61/1368262261.db2.gz BEPINUIZNUZPMS-MRVPVSSYSA-N -1 1 348.231 2.355 20 0 EEADMM O=C(NC1CCN(c2cnc3ccccc3n2)CC1)c1ccncc1[O-] ZINC001188637890 1368309892 /nfs/dbraw/zinc/30/98/92/1368309892.db2.gz IPQSYCYQVSVNFZ-UHFFFAOYSA-N -1 1 349.394 2.129 20 0 EEADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(F)c1[O-] ZINC001189834453 1368381265 /nfs/dbraw/zinc/38/12/65/1368381265.db2.gz MNCIJCCRLXOKAT-AWEZNQCLSA-N -1 1 332.331 2.437 20 0 EEADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1c([O-])cccc1F ZINC001189833202 1368381425 /nfs/dbraw/zinc/38/14/25/1368381425.db2.gz USPHXFHNHMPYFB-ZDUSSCGKSA-N -1 1 332.331 2.437 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)c2cnccc2Cl)c(F)c1 ZINC001192890115 1368436413 /nfs/dbraw/zinc/43/64/13/1368436413.db2.gz NRRRPXOKAOTAFS-UHFFFAOYSA-N -1 1 344.751 2.462 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)OCC2)c1ccc2nccnc2c1 ZINC001198154581 1368625318 /nfs/dbraw/zinc/62/53/18/1368625318.db2.gz UXAVEYZSFRBRIQ-UHFFFAOYSA-N -1 1 327.365 2.366 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cccc2ccnn21 ZINC001201767808 1368840197 /nfs/dbraw/zinc/84/01/97/1368840197.db2.gz PLKCTWWZBULLTN-UHFFFAOYSA-N -1 1 342.833 2.231 20 0 EEADMM O=C(Nc1ccccc1Br)Nc1c([O-])nc[nH]c1=O ZINC001201968109 1368869860 /nfs/dbraw/zinc/86/98/60/1368869860.db2.gz SUJKDRHDSMDSCB-UHFFFAOYSA-N -1 1 325.122 2.294 20 0 EEADMM Cc1cocc1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001488493685 1368997411 /nfs/dbraw/zinc/99/74/11/1368997411.db2.gz LZXYMEGQYMWPQZ-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CCC1(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])CCC1 ZINC001488785359 1369068280 /nfs/dbraw/zinc/06/82/80/1369068280.db2.gz WPATVUZOMKAZHX-QWHCGFSZSA-N -1 1 333.432 2.381 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2(NCc3nccs3)CCCCC2)c1[O-] ZINC001115485222 1371641274 /nfs/dbraw/zinc/64/12/74/1371641274.db2.gz ZEBBITAAWIBAOO-UHFFFAOYSA-N -1 1 349.460 2.103 20 0 EEADMM CCCCOCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116462306 1371727467 /nfs/dbraw/zinc/72/74/67/1371727467.db2.gz QDCHBFDKCLYFJO-UHFFFAOYSA-N -1 1 327.233 2.483 20 0 EEADMM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)OCc1nn[n-]n1 ZINC001123118910 1372097343 /nfs/dbraw/zinc/09/73/43/1372097343.db2.gz BPCWHAVVBBIMID-UHFFFAOYSA-N -1 1 346.778 2.072 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC001123588601 1372159029 /nfs/dbraw/zinc/15/90/29/1372159029.db2.gz GVPCTDCTWLCKDY-UHFFFAOYSA-N -1 1 333.388 2.380 20 0 EEADMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)C2CC2)s1 ZINC000830697079 1372342774 /nfs/dbraw/zinc/34/27/74/1372342774.db2.gz MIIYHBAJFUYJLB-VIFPVBQESA-N -1 1 332.838 2.258 20 0 EEADMM CSc1ncc(C(=O)NCCN2c3ccccc3C[C@@H]2C)c(=O)[n-]1 ZINC001362174639 1373375195 /nfs/dbraw/zinc/37/51/95/1373375195.db2.gz ULMYVPIKOLKFDY-NSHDSACASA-N -1 1 344.440 2.085 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(c2ccccn2)CC1 ZINC001362361003 1373397247 /nfs/dbraw/zinc/39/72/47/1373397247.db2.gz YENRCILUSHWBHU-UHFFFAOYSA-N -1 1 326.400 2.471 20 0 EEADMM CCC(CC)(NC(=O)[C@@H]1CCc2ccc(OC)cc21)c1nn[n-]n1 ZINC001363133549 1373485830 /nfs/dbraw/zinc/48/58/30/1373485830.db2.gz AGIOAXMPNBTPCG-CYBMUJFWSA-N -1 1 329.404 2.070 20 0 EEADMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001363978784 1373565288 /nfs/dbraw/zinc/56/52/88/1373565288.db2.gz MANGSKUBLJXBNP-SECBINFHSA-N -1 1 336.339 2.047 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2CCc3ccc(C)cc3C2)c1 ZINC001364901219 1373626921 /nfs/dbraw/zinc/62/69/21/1373626921.db2.gz AUZRVEFHZPXFRE-UHFFFAOYSA-N -1 1 333.409 2.456 20 0 EEADMM CCCC1(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)CCC1 ZINC001369564005 1374574525 /nfs/dbraw/zinc/57/45/25/1374574525.db2.gz NZTQYVGIOVJNTN-GFCCVEGCSA-N -1 1 337.468 2.101 20 0 EEADMM CC(C)[C@@H](CCN(C)C(=O)C1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001370020854 1374755142 /nfs/dbraw/zinc/75/51/42/1374755142.db2.gz GACGBFSHESQIHW-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001374065894 1376578029 /nfs/dbraw/zinc/57/80/29/1376578029.db2.gz MPWAXGBVRDBNIH-CYBMUJFWSA-N -1 1 329.375 2.445 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001374376418 1376747173 /nfs/dbraw/zinc/74/71/73/1376747173.db2.gz PLKIZMOJMTZYJL-CQSZACIVSA-N -1 1 333.432 2.286 20 0 EEADMM CCCN(C(=O)C1=CCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001374376290 1376747411 /nfs/dbraw/zinc/74/74/11/1376747411.db2.gz OKZNXTLFIVARQA-OAHLLOKOSA-N -1 1 343.427 2.351 20 0 EEADMM CCc1ccsc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001376257969 1378398976 /nfs/dbraw/zinc/39/89/76/1378398976.db2.gz GXBGEXFFZJYPTI-UHFFFAOYSA-N -1 1 347.440 2.255 20 0 EEADMM CCC(C)(CC)C(=O)NCCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001378497303 1380039564 /nfs/dbraw/zinc/03/95/64/1380039564.db2.gz RAVFNIQZEUXFQN-UHFFFAOYSA-N -1 1 337.468 2.055 20 0 EEADMM CCCCc1nc(CNC[C@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001379491496 1380721485 /nfs/dbraw/zinc/72/14/85/1380721485.db2.gz XPURBBQKOUPVSL-LBPRGKRZSA-N -1 1 348.472 2.494 20 0 EEADMM CCC[C@@H](C)C(=O)N1CCCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001383429830 1382490151 /nfs/dbraw/zinc/49/01/51/1382490151.db2.gz SVOYEFCNNABTRP-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C(C)(C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001384538032 1384570952 /nfs/dbraw/zinc/57/09/52/1384570952.db2.gz OXDISSXVTQNPBO-VXGBXAGGSA-N -1 1 333.432 2.237 20 0 EEADMM CC(C)C(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001384609994 1385099404 /nfs/dbraw/zinc/09/94/04/1385099404.db2.gz ILBMBZUNRKIEFG-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001384631778 1385181906 /nfs/dbraw/zinc/18/19/06/1385181906.db2.gz HRTAQAJKDZXURO-CQSZACIVSA-N -1 1 341.411 2.376 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001385866643 1385878871 /nfs/dbraw/zinc/87/88/71/1385878871.db2.gz TVSRKXJIEKKWRS-ZFWWWQNUSA-N -1 1 347.459 2.484 20 0 EEADMM Cc1cccc([C@@H](C)C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001386788009 1386319783 /nfs/dbraw/zinc/31/97/83/1386319783.db2.gz WZGCHQJEDCCFSI-ZIAGYGMSSA-N -1 1 341.411 2.134 20 0 EEADMM CC[C@H](CNC(=O)CCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001387996854 1387129562 /nfs/dbraw/zinc/12/95/62/1387129562.db2.gz VNTPTDDTSWWPAS-CQSZACIVSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@H](CN(C)Cc1ccncc1Cl)NC(=O)c1ncccc1[O-] ZINC001392645428 1390133951 /nfs/dbraw/zinc/13/39/51/1390133951.db2.gz MJCFRQOYBFCPDX-LLVKDONJSA-N -1 1 334.807 2.086 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)C(C)(C)C1CC1 ZINC001394875790 1390763470 /nfs/dbraw/zinc/76/34/70/1390763470.db2.gz OSCOFERCDVUNSE-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CCCCC(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001398381168 1392344450 /nfs/dbraw/zinc/34/44/50/1392344450.db2.gz PRLCQUHUNNMKCJ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(F)ccc1F ZINC001398945674 1394351911 /nfs/dbraw/zinc/35/19/11/1394351911.db2.gz PCOYGLCCLQNFLZ-NSHDSACASA-N -1 1 349.337 2.004 20 0 EEADMM O=C(CCCC1CCCC1)NCC[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001400196897 1396039957 /nfs/dbraw/zinc/03/99/57/1396039957.db2.gz IXPUVBJPHGVORU-OAHLLOKOSA-N -1 1 349.479 2.199 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H](C)N[C@@H](C)c2cc(F)ccc2F)c1[O-] ZINC001402865640 1398247841 /nfs/dbraw/zinc/24/78/41/1398247841.db2.gz KKHINVKLAVTVHE-IUCAKERBSA-N -1 1 338.358 2.171 20 0 EEADMM CC(C)CC(=O)NCc1ccc([C@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001424070101 1400895960 /nfs/dbraw/zinc/89/59/60/1400895960.db2.gz UWDJVMIKRFUCCD-LBPRGKRZSA-N -1 1 331.420 2.023 20 0 EEADMM CCC[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001428600274 1402764107 /nfs/dbraw/zinc/76/41/07/1402764107.db2.gz PCKAEOXQPRDVQO-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001428781576 1402803767 /nfs/dbraw/zinc/80/37/67/1402803767.db2.gz HEMDAEAAFXMYBL-KKUMJFAQSA-N -1 1 347.459 2.484 20 0 EEADMM CCC1(C(=O)N(C)C[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC001432075612 1403191599 /nfs/dbraw/zinc/19/15/99/1403191599.db2.gz ZRMSURIBSYREKK-AWEZNQCLSA-N -1 1 345.443 2.288 20 0 EEADMM COc1ccc(NC(=O)CCCc2nn[n-]n2)cc1OC1CCCC1 ZINC001433594825 1403411091 /nfs/dbraw/zinc/41/10/91/1403411091.db2.gz HAHKZNPANYNNIF-UHFFFAOYSA-N -1 1 345.403 2.491 20 0 EEADMM Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1ccc([O-])cc1F ZINC001433788531 1403432303 /nfs/dbraw/zinc/43/23/03/1403432303.db2.gz DXYVYOQQNCBSKH-CQSZACIVSA-N -1 1 333.359 2.318 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1ccc([O-])cc1F ZINC001433788527 1403432374 /nfs/dbraw/zinc/43/23/74/1403432374.db2.gz DXYVYOQQNCBSKH-AWEZNQCLSA-N -1 1 333.359 2.318 20 0 EEADMM CCC(=O)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001576485148 1403578699 /nfs/dbraw/zinc/57/86/99/1403578699.db2.gz YNFOSXSLKZQIKC-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CCC(=O)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001576485148 1403578704 /nfs/dbraw/zinc/57/87/04/1403578704.db2.gz YNFOSXSLKZQIKC-UHFFFAOYSA-N -1 1 336.355 2.036 20 0 EEADMM CC[C@@H](F)C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001576968694 1403617131 /nfs/dbraw/zinc/61/71/31/1403617131.db2.gz DUJWBSSOTHWCKE-ZCFIWIBFSA-N -1 1 333.245 2.452 20 0 EEADMM CCOC(OCC)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001578319605 1403737346 /nfs/dbraw/zinc/73/73/46/1403737346.db2.gz SEMXKWLCVUQNFL-ZCFIWIBFSA-N -1 1 332.817 2.176 20 0 EEADMM CCOC(OCC)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001578319605 1403737348 /nfs/dbraw/zinc/73/73/48/1403737348.db2.gz SEMXKWLCVUQNFL-ZCFIWIBFSA-N -1 1 332.817 2.176 20 0 EEADMM CC[C@@H]1C[C@H]1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001578440278 1403756060 /nfs/dbraw/zinc/75/60/60/1403756060.db2.gz UDHRQCNAFUZBBS-RITPCOANSA-N -1 1 327.801 2.144 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)cc2)c1 ZINC001580608862 1403862438 /nfs/dbraw/zinc/86/24/38/1403862438.db2.gz KIJVJWKSSMLCAS-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1C ZINC001591303436 1403904138 /nfs/dbraw/zinc/90/41/38/1403904138.db2.gz WQHAWSFFLSBNOL-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COC(=O)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1C ZINC001591303436 1403904142 /nfs/dbraw/zinc/90/41/42/1403904142.db2.gz WQHAWSFFLSBNOL-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM CSCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001591698572 1403940196 /nfs/dbraw/zinc/94/01/96/1403940196.db2.gz ASIAVLHJRKTFJE-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM CSCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001591698572 1403940206 /nfs/dbraw/zinc/94/02/06/1403940206.db2.gz ASIAVLHJRKTFJE-UHFFFAOYSA-N -1 1 340.412 2.055 20 0 EEADMM Cc1nc2c(s1)[C@H](Nc1nc(C)cc(-c3nnn[n-]3)n1)CCC2 ZINC001591893556 1403970776 /nfs/dbraw/zinc/97/07/76/1403970776.db2.gz DOPRRENRAUNTCC-SNVBAGLBSA-N -1 1 328.405 2.220 20 0 EEADMM Cc1nc2c(s1)[C@H](Nc1nc(C)cc(-c3nn[n-]n3)n1)CCC2 ZINC001591893556 1403970783 /nfs/dbraw/zinc/97/07/83/1403970783.db2.gz DOPRRENRAUNTCC-SNVBAGLBSA-N -1 1 328.405 2.220 20 0 EEADMM Cc1cc(Nc2cncc(-c3nnn[n-]3)n2)nn1C1CCCCC1 ZINC001592057379 1403991450 /nfs/dbraw/zinc/99/14/50/1403991450.db2.gz UQIVBLWAAYQFHU-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1cc(Nc2cncc(-c3nn[n-]n3)n2)nn1C1CCCCC1 ZINC001592057379 1403991455 /nfs/dbraw/zinc/99/14/55/1403991455.db2.gz UQIVBLWAAYQFHU-UHFFFAOYSA-N -1 1 325.380 2.410 20 0 EEADMM Cc1nsc(NC(=O)NC[C@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592481749 1404702032 /nfs/dbraw/zinc/70/20/32/1404702032.db2.gz VDPPXZOQQDAQOS-ZETCQYMHSA-N -1 1 343.363 2.189 20 0 EEADMM Cc1nsc(NC(=O)NC[C@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592481749 1404702034 /nfs/dbraw/zinc/70/20/34/1404702034.db2.gz VDPPXZOQQDAQOS-ZETCQYMHSA-N -1 1 343.363 2.189 20 0 EEADMM Fc1ccccc1CSCCNc1cncc(-c2nnn[n-]2)n1 ZINC001592661939 1404706374 /nfs/dbraw/zinc/70/63/74/1404706374.db2.gz UAZGKEAIQCEWBM-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM Fc1ccccc1CSCCNc1cncc(-c2nn[n-]n2)n1 ZINC001592661939 1404706383 /nfs/dbraw/zinc/70/63/83/1404706383.db2.gz UAZGKEAIQCEWBM-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)OC[C@H]1CCCC(F)(F)C1 ZINC001592915139 1404728551 /nfs/dbraw/zinc/72/85/51/1404728551.db2.gz QTTRVMWHHVPWKY-NSHDSACASA-N -1 1 337.330 2.173 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)OC[C@H]1CCCC(F)(F)C1 ZINC001592915139 1404728555 /nfs/dbraw/zinc/72/85/55/1404728555.db2.gz QTTRVMWHHVPWKY-NSHDSACASA-N -1 1 337.330 2.173 20 0 EEADMM Cc1cc(NC(=O)[C@H](C)Sc2cccc(F)c2-c2nn[n-]n2)on1 ZINC001605703277 1404750091 /nfs/dbraw/zinc/75/00/91/1404750091.db2.gz BZLWPZJVDOOFHT-QMMMGPOBSA-N -1 1 348.363 2.422 20 0 EEADMM Cc1nc(-c2nn[n-]n2)c(-n2nc(C(F)(F)F)cc2C2CC2)o1 ZINC001606017688 1404756344 /nfs/dbraw/zinc/75/63/44/1404756344.db2.gz LSCUMVYVBGVAJW-UHFFFAOYSA-N -1 1 325.254 2.245 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](c2cccnc2)C(C)C)c1-c1nnn[n-]1 ZINC001606148516 1404769046 /nfs/dbraw/zinc/76/90/46/1404769046.db2.gz LCZBLRPTOXKXBY-LLVKDONJSA-N -1 1 343.416 2.405 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](c2cccnc2)C(C)C)c1-c1nn[n-]n1 ZINC001606148516 1404769049 /nfs/dbraw/zinc/76/90/49/1404769049.db2.gz LCZBLRPTOXKXBY-LLVKDONJSA-N -1 1 343.416 2.405 20 0 EEADMM CNC(=O)[C@H](Cc1ccccc1)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001606261204 1404778403 /nfs/dbraw/zinc/77/84/03/1404778403.db2.gz HBISJLOQYHRTLY-INIZCTEOSA-N -1 1 343.427 2.283 20 0 EEADMM FC1(c2ccccc2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001606299467 1404782826 /nfs/dbraw/zinc/78/28/26/1404782826.db2.gz GGIGMTPDESNXPH-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM CC(C)c1nsc(CN(C)CCCNC(=O)c2ncccc2[O-])n1 ZINC001751966431 1406153763 /nfs/dbraw/zinc/15/37/63/1406153763.db2.gz IVCVGFLWISCUIY-UHFFFAOYSA-N -1 1 349.460 2.014 20 0 EEADMM C/C=C(/C)C(=O)N(C)[C@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001756052668 1408107581 /nfs/dbraw/zinc/10/75/81/1408107581.db2.gz XBBCXRUXRJQMLW-NXIHDVOMSA-N -1 1 348.447 2.157 20 0 EEADMM Cc1ncsc1CCC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000412113165 1409806170 /nfs/dbraw/zinc/80/61/70/1409806170.db2.gz QFOLWWCTNGMCJU-UHFFFAOYSA-N -1 1 344.400 2.115 20 0 EEADMM C[C@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)CNc1cccc(F)n1 ZINC001104232638 757365778 /nfs/dbraw/zinc/36/57/78/757365778.db2.gz RMAWQTKJAUJZNB-JTQLQIEISA-N -1 1 345.378 2.072 20 0 EEADMM CC(C)C[C@@H](CNc1ncc(Cl)cn1)NC(=O)c1ncccc1[O-] ZINC001104934839 765605175 /nfs/dbraw/zinc/60/51/75/765605175.db2.gz KPKSNKXHEBQPAZ-LBPRGKRZSA-N -1 1 349.822 2.487 20 0 EEADMM Cc1cc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)no1 ZINC000918208151 768984169 /nfs/dbraw/zinc/98/41/69/768984169.db2.gz BFLGEUKPOXMXPK-UHFFFAOYSA-N -1 1 325.328 2.030 20 0 EEADMM CC(C)=CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715948 769091981 /nfs/dbraw/zinc/09/19/81/769091981.db2.gz QXOOZIWWGARVRI-HDJSIYSDSA-N -1 1 331.416 2.158 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)cc1 ZINC000979672501 770826014 /nfs/dbraw/zinc/82/60/14/770826014.db2.gz KNPOBWINHMVJHD-CTYIDZIISA-N -1 1 339.395 2.034 20 0 EEADMM C[C@H]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979675725 770834004 /nfs/dbraw/zinc/83/40/04/770834004.db2.gz UNCSVZHPTMTTKH-XQLPTFJDSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H]1CCC[C@@]1(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979676803 770837557 /nfs/dbraw/zinc/83/75/57/770837557.db2.gz ZDDNDVITQRVDDZ-WFTHSTBKSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)Oc1ccc(F)c([N-]S(=O)(=O)c2cncc(N)c2)c1 ZINC001212310372 775543243 /nfs/dbraw/zinc/54/32/43/775543243.db2.gz CLMWCYHTOAXZIQ-UHFFFAOYSA-N -1 1 325.365 2.391 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cc(F)cc(F)c2)CC1 ZINC000981026701 776402394 /nfs/dbraw/zinc/40/23/94/776402394.db2.gz KIZCBPPIUSPFHS-UHFFFAOYSA-N -1 1 347.365 2.414 20 0 EEADMM Cc1cc(NCCC2CCN(C(=O)c3ncccc3[O-])CC2)ncn1 ZINC001063320044 790694572 /nfs/dbraw/zinc/69/45/72/790694572.db2.gz SLBKYBGXYVEQQM-UHFFFAOYSA-N -1 1 341.415 2.240 20 0 EEADMM COCc1nc(NC[C@H]2CCN(c3ccccc3F)C2)cc(=O)[n-]1 ZINC000893925555 780311989 /nfs/dbraw/zinc/31/19/89/780311989.db2.gz MBRMDQAXYXTCIA-GFCCVEGCSA-N -1 1 332.379 2.406 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c(F)c1 ZINC000785395744 781155364 /nfs/dbraw/zinc/15/53/64/781155364.db2.gz AWXUAGASDKUQNE-UHFFFAOYSA-N -1 1 349.399 2.457 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000816740384 784231101 /nfs/dbraw/zinc/23/11/01/784231101.db2.gz AVYOHMWQPDEBDG-ZDUSSCGKSA-N -1 1 346.387 2.313 20 0 EEADMM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2O)C[C@H](C)C1(F)F ZINC000907053255 784353955 /nfs/dbraw/zinc/35/39/55/784353955.db2.gz NUNHBXKFOJOKFQ-DTORHVGOSA-N -1 1 349.355 2.002 20 0 EEADMM C[C@H](NC(=O)C1CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945625341 784461966 /nfs/dbraw/zinc/46/19/66/784461966.db2.gz WJAOHZMAPUTLMY-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817149492 784539472 /nfs/dbraw/zinc/53/94/72/784539472.db2.gz CCTABIPWVIFLAM-LLVKDONJSA-N -1 1 329.322 2.168 20 0 EEADMM 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792708700 /nfs/dbraw/zinc/70/87/00/792708700.db2.gz HVZZYGVTHKXKHC-UHFFFAOYSA-N -1 1 339.273 2.418 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064263415 792770107 /nfs/dbraw/zinc/77/01/07/792770107.db2.gz PRLYEJGRWBEBIG-KGLIPLIRSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(Nc1cnccc1C1CC1)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148917734 792783876 /nfs/dbraw/zinc/78/38/76/792783876.db2.gz WHMKFZSRVIGFBS-UHFFFAOYSA-N -1 1 334.353 2.164 20 0 EEADMM O=C(NC1CC(CNC(=O)C2CCC=CCC2)C1)c1ncccc1[O-] ZINC000992127277 792815469 /nfs/dbraw/zinc/81/54/69/792815469.db2.gz JLKYVMHFTCYXIS-UHFFFAOYSA-N -1 1 343.427 2.158 20 0 EEADMM CCc1cc(C)c(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001077504372 793234946 /nfs/dbraw/zinc/23/49/46/793234946.db2.gz HHQVIZRRTMTNDH-LBPRGKRZSA-N -1 1 345.399 2.189 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])Nc1ncncc1Cl ZINC001089272616 793927976 /nfs/dbraw/zinc/92/79/76/793927976.db2.gz PTHMPJGNFDMXRY-ZJUUUORDSA-N -1 1 335.795 2.240 20 0 EEADMM Cc1ccc(-n2nnnc2SCCC[N-]C(=O)C(F)(F)F)cc1 ZINC000151731999 794124407 /nfs/dbraw/zinc/12/44/07/794124407.db2.gz KSGWARJJLYITQT-UHFFFAOYSA-N -1 1 345.350 2.131 20 0 EEADMM CC(C)c1ccccc1OCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742369 794200982 /nfs/dbraw/zinc/20/09/82/794200982.db2.gz XCSRLHVHVUFVGM-UHFFFAOYSA-N -1 1 329.404 2.108 20 0 EEADMM O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913742168 794201059 /nfs/dbraw/zinc/20/10/59/794201059.db2.gz LBHAUBUHHRYCMZ-UHFFFAOYSA-N -1 1 340.214 2.455 20 0 EEADMM CCCCc1ccc(CC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742718 794202716 /nfs/dbraw/zinc/20/27/16/794202716.db2.gz QSVNADTWRBKNSQ-UHFFFAOYSA-N -1 1 327.432 2.491 20 0 EEADMM C[C@@H]1CCc2c(C(=O)N3CCC(c4nn[n-]n4)CC3)csc2C1 ZINC000913742891 794202912 /nfs/dbraw/zinc/20/29/12/794202912.db2.gz ZVZANGYSTNRLRT-SNVBAGLBSA-N -1 1 331.445 2.406 20 0 EEADMM CCCCNc1ccccc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913742778 794203022 /nfs/dbraw/zinc/20/30/22/794203022.db2.gz UGDACYPQZHTVCL-UHFFFAOYSA-N -1 1 328.420 2.432 20 0 EEADMM C[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001079611110 794989759 /nfs/dbraw/zinc/98/97/59/794989759.db2.gz OADYTSZNKUPWRY-KXNDTWRZSA-N -1 1 330.215 2.156 20 0 EEADMM CC1(C)C[C@@H](NC(=O)CC2CCCC2)CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001089305320 795138313 /nfs/dbraw/zinc/13/83/13/795138313.db2.gz FCQJBBIQFXNQHM-AWEZNQCLSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)c1cc(NCC[C@H](C)NC(=O)c2ncccc2[O-])ncn1 ZINC001106295988 795359865 /nfs/dbraw/zinc/35/98/65/795359865.db2.gz DXZVHPPOOSKGRG-LBPRGKRZSA-N -1 1 329.404 2.321 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080362319 795892705 /nfs/dbraw/zinc/89/27/05/795892705.db2.gz RGTURCALKRTIEH-STQMWFEESA-N -1 1 333.432 2.142 20 0 EEADMM C/C=C(/C)C(=O)N(CC)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001081073973 796635836 /nfs/dbraw/zinc/63/58/36/796635836.db2.gz IDBNEQQWNHMAKV-CPSFFCFKSA-N -1 1 345.443 2.454 20 0 EEADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(N)ccc2C)ccc1C ZINC001212626901 796726314 /nfs/dbraw/zinc/72/63/14/796726314.db2.gz WLUXMKUIZWXFLR-UHFFFAOYSA-N -1 1 334.397 2.473 20 0 EEADMM Cc1nsc(NCCCCCCNC(=O)c2ncccc2[O-])n1 ZINC001094945302 797079139 /nfs/dbraw/zinc/07/91/39/797079139.db2.gz YEAPMMHJTZJDNM-UHFFFAOYSA-N -1 1 335.433 2.349 20 0 EEADMM CC/C(C)=C/C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001082022552 797081508 /nfs/dbraw/zinc/08/15/08/797081508.db2.gz GVYLOLDOLIZVIQ-CMPYXILNSA-N -1 1 331.416 2.254 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1)C(=O)c1ncccc1[O-] ZINC001002128621 797606787 /nfs/dbraw/zinc/60/67/87/797606787.db2.gz IQACJLFTZZVOFB-LSDHHAIUSA-N -1 1 343.427 2.207 20 0 EEADMM COC(=O)[N-]C(=S)N(c1cncc(OC)c1)c1ccccc1N ZINC001174091890 797689560 /nfs/dbraw/zinc/68/95/60/797689560.db2.gz KYASNQMAILWBLW-UHFFFAOYSA-N -1 1 332.385 2.451 20 0 EEADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccs1)c1ncccc1[O-] ZINC001002188334 797698871 /nfs/dbraw/zinc/69/88/71/797698871.db2.gz ISZDRYYGMYDKRQ-UTUOFQBUSA-N -1 1 343.408 2.024 20 0 EEADMM CN(C)c1nc(NC2=CCN(C(=O)OC(C)(C)C)CC2)cc(=O)[n-]1 ZINC001174439814 797762087 /nfs/dbraw/zinc/76/20/87/797762087.db2.gz LNPOHJFHPIOEGB-UHFFFAOYSA-N -1 1 335.408 2.185 20 0 EEADMM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174499726 797776056 /nfs/dbraw/zinc/77/60/56/797776056.db2.gz AAHSZBCSKYFWCI-UHFFFAOYSA-N -1 1 330.369 2.131 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](Nc2ncc(Cl)cn2)C1)c1ncccc1[O-] ZINC001061074017 797932392 /nfs/dbraw/zinc/93/23/92/797932392.db2.gz BABYRELXOOAYST-NWDGAFQWSA-N -1 1 347.806 2.384 20 0 EEADMM Cn1nc(C2CC2)cc1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000921903904 797966691 /nfs/dbraw/zinc/96/66/91/797966691.db2.gz BSZUPDRLRVAXQI-UHFFFAOYSA-N -1 1 327.356 2.054 20 0 EEADMM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)nc2)CC1 ZINC001175155150 798001437 /nfs/dbraw/zinc/00/14/37/798001437.db2.gz MWOVYLXYBCGKPN-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001212768054 798004450 /nfs/dbraw/zinc/00/44/50/798004450.db2.gz LPBZDXJNJCHEFG-UHFFFAOYSA-N -1 1 336.311 2.247 20 0 EEADMM O=C(CCNC(=O)c1ccc[nH]1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001175549796 798131369 /nfs/dbraw/zinc/13/13/69/798131369.db2.gz PSOKXCSAHSPKCQ-UHFFFAOYSA-N -1 1 341.289 2.498 20 0 EEADMM Nc1ccc(S(=O)(=O)[N-]c2cnc(N)cc2C(F)(F)F)cc1 ZINC001175717555 798203552 /nfs/dbraw/zinc/20/35/52/798203552.db2.gz JRRJWKLCHWGCRU-UHFFFAOYSA-N -1 1 332.307 2.066 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)C[C@H](OC)c1ccccc1)c1ccco1 ZINC000451272129 798322258 /nfs/dbraw/zinc/32/22/58/798322258.db2.gz WQRHAFDEOCIQTB-ZBFHGGJFSA-N -1 1 339.413 2.274 20 0 EEADMM COc1ncccc1CC(=O)Nc1nc(Br)ccc1[O-] ZINC001176213840 798380515 /nfs/dbraw/zinc/38/05/15/798380515.db2.gz MCRSMOLLHSWGMK-UHFFFAOYSA-N -1 1 338.161 2.135 20 0 EEADMM O=C(COC(=O)c1nn(-c2ccccc2)cc1[O-])N1CCCCCC1 ZINC000917944461 798416697 /nfs/dbraw/zinc/41/66/97/798416697.db2.gz BYYYTNOOBDWBLN-UHFFFAOYSA-N -1 1 343.383 2.137 20 0 EEADMM CCC[C@@H](O)CC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001119614360 798467575 /nfs/dbraw/zinc/46/75/75/798467575.db2.gz XIVFFXSEGSIPOG-MRVPVSSYSA-N -1 1 327.233 2.218 20 0 EEADMM CCC1(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ncccc2[O-])CCC1 ZINC001002837749 798701666 /nfs/dbraw/zinc/70/16/66/798701666.db2.gz XWWNUKDQDBGHDI-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1nc(CN[C@@H]2CCCC[C@H]2NC(=O)c2[nH]nc(C)c2[O-])cs1 ZINC001085169517 798750513 /nfs/dbraw/zinc/75/05/13/798750513.db2.gz OIQCMCHJSWHJII-CHWSQXEVSA-N -1 1 349.460 2.019 20 0 EEADMM COc1ccc(CC(=O)Nc2nc(Br)ccc2[O-])cn1 ZINC001177874285 799142115 /nfs/dbraw/zinc/14/21/15/799142115.db2.gz UWZPWWHGOOGJDL-UHFFFAOYSA-N -1 1 338.161 2.135 20 0 EEADMM CC(C)c1ccnc(CC(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)c1 ZINC001178220262 799355186 /nfs/dbraw/zinc/35/51/86/799355186.db2.gz JVNHNXWJOOMWDT-UHFFFAOYSA-N -1 1 344.375 2.346 20 0 EEADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)NCC(=O)c1ccccc1 ZINC000786303163 806743733 /nfs/dbraw/zinc/74/37/33/806743733.db2.gz IBUINUVDPKWTEW-NSHDSACASA-N -1 1 345.326 2.076 20 0 EEADMM O=C(CCC1CCC1)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001066037409 799914097 /nfs/dbraw/zinc/91/40/97/799914097.db2.gz GJMDZMINMQHEPP-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)c1nccc(N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001061345085 800445961 /nfs/dbraw/zinc/44/59/61/800445961.db2.gz YQINPXGWCFEXDE-CYBMUJFWSA-N -1 1 341.415 2.099 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@@H]2CCN2Cc2ccccc2C)c1[O-] ZINC001085544102 800741001 /nfs/dbraw/zinc/74/10/01/800741001.db2.gz KRQXQDYTEGBZQA-HNNXBMFYSA-N -1 1 328.416 2.079 20 0 EEADMM Cc1nc(CN2CC[C@@H]2CN(C)C(=O)c2ncccc2[O-])sc1C ZINC001085561560 800766457 /nfs/dbraw/zinc/76/64/57/800766457.db2.gz PMCWKKIWHPLXCY-CYBMUJFWSA-N -1 1 346.456 2.207 20 0 EEADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)C1CCCC1 ZINC001185169034 802372240 /nfs/dbraw/zinc/37/22/40/802372240.db2.gz FBQHVVBJSLAWGT-AWEZNQCLSA-N -1 1 347.383 2.116 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001004763031 802827797 /nfs/dbraw/zinc/82/77/97/802827797.db2.gz YPCONODQQNSLSQ-NEPJUHHUSA-N -1 1 335.379 2.017 20 0 EEADMM C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001004815246 802984187 /nfs/dbraw/zinc/98/41/87/802984187.db2.gz FSRRTPVHUKDMHE-STQMWFEESA-N -1 1 346.456 2.417 20 0 EEADMM Cc1cc(NC[C@H](C)NC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001108323108 803313176 /nfs/dbraw/zinc/31/31/76/803313176.db2.gz KTANJUNNVKQWQS-LBPRGKRZSA-N -1 1 329.404 2.239 20 0 EEADMM O=C(Cc1ccccc1CO)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000787065200 806982053 /nfs/dbraw/zinc/98/20/53/806982053.db2.gz ZYRHGRRDBZJLLC-UHFFFAOYSA-N -1 1 340.331 2.277 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)/C=C/SC)c2)n1 ZINC000790160929 808462651 /nfs/dbraw/zinc/46/26/51/808462651.db2.gz WIBKYJOEDJVRNX-BQYQJAHWSA-N -1 1 346.412 2.141 20 0 EEADMM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)N1CCCC1 ZINC000790333520 808627449 /nfs/dbraw/zinc/62/74/49/808627449.db2.gz DROGBPMBLNZFFV-UHFFFAOYSA-N -1 1 348.827 2.158 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@H](C)c2ccnn2C)c(=O)[n-]1 ZINC000791937836 809492428 /nfs/dbraw/zinc/49/24/28/809492428.db2.gz WXLSRRMHTGXGPU-SNVBAGLBSA-N -1 1 336.417 2.183 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1nc(Cl)ccc1Cl ZINC000792258811 809683738 /nfs/dbraw/zinc/68/37/38/809683738.db2.gz FJVPJYXRABBSJI-LLVKDONJSA-N -1 1 349.181 2.421 20 0 EEADMM C[Si](C)(C)c1c(F)cccc1Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001170220405 809821983 /nfs/dbraw/zinc/82/19/83/809821983.db2.gz XYRFXSMTFPUQOS-UHFFFAOYSA-N -1 1 333.399 2.144 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2nc(Cl)ncc2Br)[n-]1 ZINC001170234060 809833078 /nfs/dbraw/zinc/83/30/78/809833078.db2.gz POAFMZMZPARSRV-UHFFFAOYSA-N -1 1 342.544 2.008 20 0 EEADMM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)cc1 ZINC000793225849 810196190 /nfs/dbraw/zinc/19/61/90/810196190.db2.gz YHSDQOADEACHRQ-UHFFFAOYSA-N -1 1 343.408 2.157 20 0 EEADMM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)O[C@H](C)c2nncn2C)n1 ZINC000805558903 811350900 /nfs/dbraw/zinc/35/09/00/811350900.db2.gz QZJBQXCNJAVFCQ-SNVBAGLBSA-N -1 1 345.334 2.072 20 0 EEADMM CC(=O)N(c1nc(COC(=O)c2cn[n-]n2)cs1)c1ccccc1 ZINC000805606815 811370974 /nfs/dbraw/zinc/37/09/74/811370974.db2.gz NUTVWPOCNNWCAW-UHFFFAOYSA-N -1 1 343.368 2.303 20 0 EEADMM CO[C@H](C)CCC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O ZINC000806019457 811708955 /nfs/dbraw/zinc/70/89/55/811708955.db2.gz YOXHJLRSGXZYSQ-GFCCVEGCSA-N -1 1 345.399 2.453 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N[C@H](Cc3ccccc3)C3CC3)ccnc1-2 ZINC000806489271 811897210 /nfs/dbraw/zinc/89/72/10/811897210.db2.gz XLOAXIUTBUDQFI-QGZVFWFLSA-N -1 1 335.411 2.485 20 0 EEADMM O=C(Nc1nc2cc[nH]cc-2n1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000807170881 812126127 /nfs/dbraw/zinc/12/61/27/812126127.db2.gz MVNBTZMLEQGIJA-UHFFFAOYSA-N -1 1 332.323 2.164 20 0 EEADMM CCN(CC)[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1ccco1 ZINC000780480135 939127425 /nfs/dbraw/zinc/12/74/25/939127425.db2.gz NDBVHVFWRFATNP-CYBMUJFWSA-N -1 1 337.420 2.359 20 0 EEADMM Brc1ccc2c(c1)CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573279557 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Cc1onc(CC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345078 948018881 /nfs/dbraw/zinc/01/88/81/948018881.db2.gz BFCJFAHIPUFAJT-GHMZBOCLSA-N -1 1 340.387 2.014 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345078 948018893 /nfs/dbraw/zinc/01/88/93/948018893.db2.gz BFCJFAHIPUFAJT-GHMZBOCLSA-N -1 1 340.387 2.014 20 0 EEADMM Fc1cccc(O[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)c1 ZINC000826377375 948167207 /nfs/dbraw/zinc/16/72/07/948167207.db2.gz OVLPCTRDOQDGDS-CYBMUJFWSA-N -1 1 326.335 2.059 20 0 EEADMM Fc1cccc(O[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)c1 ZINC000826377375 948167210 /nfs/dbraw/zinc/16/72/10/948167210.db2.gz OVLPCTRDOQDGDS-CYBMUJFWSA-N -1 1 326.335 2.059 20 0 EEADMM COc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cc(OC)c1 ZINC001570928740 948739299 /nfs/dbraw/zinc/73/92/99/948739299.db2.gz AXPBTPOSMITJIF-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cc(OC)c1 ZINC001570928740 948739306 /nfs/dbraw/zinc/73/93/06/948739306.db2.gz 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/nfs/dbraw/zinc/21/00/63/578210063.db2.gz SGNYCUPLYYTSQY-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM CCN(CC1CC1)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736535280 578210064 /nfs/dbraw/zinc/21/00/64/578210064.db2.gz SGNYCUPLYYTSQY-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM CC[C@](C)(NCC(=O)N[C@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000736861208 578227182 /nfs/dbraw/zinc/22/71/82/578227182.db2.gz IGSWUQYUWDVFDK-YOEHRIQHSA-N -1 1 347.440 2.192 20 0 EEADMM CCCc1nnc([C@@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)[nH]1 ZINC000737051502 578235322 /nfs/dbraw/zinc/23/53/22/578235322.db2.gz TYHXKICVVQVFRH-MFKMUULPSA-N -1 1 334.376 2.183 20 0 EEADMM CCCc1n[nH]c([C@@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)n1 ZINC000737051502 578235323 /nfs/dbraw/zinc/23/53/23/578235323.db2.gz TYHXKICVVQVFRH-MFKMUULPSA-N -1 1 334.376 2.183 20 0 EEADMM CCN(CC)[C@H](C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000737086343 578237284 /nfs/dbraw/zinc/23/72/84/578237284.db2.gz WKBWQIPLCAQRBB-CVEARBPZSA-N -1 1 333.432 2.328 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737099715 578238013 /nfs/dbraw/zinc/23/80/13/578238013.db2.gz NOHBRAWBZLIXCH-UHFFFAOYSA-N -1 1 336.783 2.273 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000737165133 578241600 /nfs/dbraw/zinc/24/16/00/578241600.db2.gz OPVJDZHHHVBSNY-CABCVRRESA-N -1 1 334.416 2.459 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737368262 578253291 /nfs/dbraw/zinc/25/32/91/578253291.db2.gz HGSOEIQANUTEDC-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1ccc(SCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737368262 578253292 /nfs/dbraw/zinc/25/32/92/578253292.db2.gz HGSOEIQANUTEDC-UHFFFAOYSA-N -1 1 340.412 2.092 20 0 EEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000737399824 578255097 /nfs/dbraw/zinc/25/50/97/578255097.db2.gz MNBCAWXMPSCMQZ-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737402619 578255486 /nfs/dbraw/zinc/25/54/86/578255486.db2.gz XLTDZRPYPKBWCP-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737402619 578255487 /nfs/dbraw/zinc/25/54/87/578255487.db2.gz XLTDZRPYPKBWCP-UHFFFAOYSA-N -1 1 346.297 2.424 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)OC(C)(C)C)n1 ZINC000737470384 578259491 /nfs/dbraw/zinc/25/94/91/578259491.db2.gz IHYJGXJAOGRENY-MRVPVSSYSA-N -1 1 336.421 2.096 20 0 EEADMM O=C([O-])C1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000019774945 596917505 /nfs/dbraw/zinc/91/75/05/596917505.db2.gz VRCPUPCNSCIRGO-UHFFFAOYSA-N -1 1 345.443 2.412 20 0 EEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000325216876 597231511 /nfs/dbraw/zinc/23/15/11/597231511.db2.gz KROFLMSWQVBWQD-CJNGLKHVSA-N -1 1 331.416 2.153 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN3CCC[C@H](CC(=O)[O-])C3)C2)cc1 ZINC000821075576 597759483 /nfs/dbraw/zinc/75/94/83/597759483.db2.gz BKMPYINOGAWSKK-NVXWUHKLSA-N -1 1 330.428 2.455 20 0 EEADMM CCc1cccc2c(C3CCN(CC(=O)NCC(=O)[O-])CC3)c[nH]c21 ZINC000820485879 597771687 /nfs/dbraw/zinc/77/16/87/597771687.db2.gz TXGVOGCSOAFHQR-UHFFFAOYSA-N -1 1 343.427 2.111 20 0 EEADMM Cc1ccn(Cc2cc(-c3ccccc3)on2)c(=O)c1-c1nn[n-]n1 ZINC000822374364 607349831 /nfs/dbraw/zinc/34/98/31/607349831.db2.gz SLEWZYHGJLFHIJ-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820281101 599685537 /nfs/dbraw/zinc/68/55/37/599685537.db2.gz QVRAGJJIWMEUOE-ZETCQYMHSA-N -1 1 344.828 2.178 20 0 EEADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820281101 599685538 /nfs/dbraw/zinc/68/55/38/599685538.db2.gz QVRAGJJIWMEUOE-ZETCQYMHSA-N -1 1 344.828 2.178 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])[nH]1 ZINC000322436768 600175900 /nfs/dbraw/zinc/17/59/00/600175900.db2.gz ZGQBPUQKHGOIGM-UHFFFAOYSA-N -1 1 339.329 2.039 20 0 EEADMM CCCOc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1 ZINC000321456425 600513676 /nfs/dbraw/zinc/51/36/76/600513676.db2.gz NSDMQFARCMUGRN-UHFFFAOYSA-N -1 1 336.369 2.369 20 0 EEADMM C/C(=C/C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1)c1cccc(F)c1 ZINC000825716844 601097331 /nfs/dbraw/zinc/09/73/31/601097331.db2.gz PHIOOKQBZCTDBF-QLKUMGTLSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000827368698 601131331 /nfs/dbraw/zinc/13/13/31/601131331.db2.gz HQETUAHPMOUEFC-GFCCVEGCSA-N -1 1 330.388 2.181 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000826800933 601147185 /nfs/dbraw/zinc/14/71/85/601147185.db2.gz RRMWEHUJWIMOLA-HNNXBMFYSA-N -1 1 339.411 2.056 20 0 EEADMM C/C(=C\CN1CCCN(C(=O)CCc2ccccc2)CC1)C(=O)[O-] ZINC000825741516 601325621 /nfs/dbraw/zinc/32/56/21/601325621.db2.gz ORLAGOGOSDIDEW-MHWRWJLKSA-N -1 1 330.428 2.184 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C)C(=O)[O-] ZINC000828716999 601328859 /nfs/dbraw/zinc/32/88/59/601328859.db2.gz IFIVDROHJMDFLG-MMNPAVHPSA-N -1 1 332.444 2.480 20 0 EEADMM Cc1nc(NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)sc1C(=O)[O-] ZINC000832962664 601383109 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CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829159893 602371350 /nfs/dbraw/zinc/37/13/50/602371350.db2.gz AAGXPVLYCBWOTR-UONOGXRCSA-N -1 1 334.420 2.204 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826265190 607573791 /nfs/dbraw/zinc/57/37/91/607573791.db2.gz PBQWAFSJDGVHPD-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826265190 607573793 /nfs/dbraw/zinc/57/37/93/607573793.db2.gz PBQWAFSJDGVHPD-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM CCOC(=O)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000825494046 608185478 /nfs/dbraw/zinc/18/54/78/608185478.db2.gz RILVLXSNCUTQLS-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM CCOC(=O)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000825494046 608185482 /nfs/dbraw/zinc/18/54/82/608185482.db2.gz RILVLXSNCUTQLS-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000826106286 604387071 /nfs/dbraw/zinc/38/70/71/604387071.db2.gz 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ZINC000833502169 604965297 /nfs/dbraw/zinc/96/52/97/604965297.db2.gz IGJFBRFZSIKVMP-LBPRGKRZSA-N -1 1 326.418 2.076 20 0 EEADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccnc2)c(O[C@@H]2CCOC2)c1 ZINC000832934593 605007720 /nfs/dbraw/zinc/00/77/20/605007720.db2.gz UCYWCDLNTJQKOE-AEFFLSMTSA-N -1 1 342.395 2.473 20 0 EEADMM CCc1nc([C@@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)n[nH]1 ZINC000833675161 605008338 /nfs/dbraw/zinc/00/83/38/605008338.db2.gz YNFCMEPZRIKYJT-GFCCVEGCSA-N -1 1 332.404 2.298 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000833696821 605106166 /nfs/dbraw/zinc/10/61/66/605106166.db2.gz VGXSWEAELLEYLH-UHFFFAOYSA-N -1 1 327.384 2.237 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(Cl)nc1Cl ZINC000833626912 605162279 /nfs/dbraw/zinc/16/22/79/605162279.db2.gz SDZZQIJGIVAZGZ-SECBINFHSA-N -1 1 346.214 2.009 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2nc(CCC(=O)[O-])cs2)C[C@H]1C ZINC000833655180 605165209 /nfs/dbraw/zinc/16/52/09/605165209.db2.gz AWPBQOAEWSQNGO-GHMZBOCLSA-N -1 1 340.449 2.107 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1cc(-c2ccccc2)no1 ZINC000833629088 605191290 /nfs/dbraw/zinc/19/12/90/605191290.db2.gz QYTSPVRTQFPVJM-AWEZNQCLSA-N -1 1 329.400 2.322 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(-c2ccccc2)no1 ZINC000833629090 605191863 /nfs/dbraw/zinc/19/18/63/605191863.db2.gz QYTSPVRTQFPVJM-CQSZACIVSA-N -1 1 329.400 2.322 20 0 EEADMM C[C@@H]1[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCN1C ZINC000833582980 605506984 /nfs/dbraw/zinc/50/69/84/605506984.db2.gz BCCFKBUWQSPJBT-BDAKNGLRSA-N -1 1 327.331 2.219 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@H](COc2ccccc2)C1)C(=O)[O-] ZINC000833477372 605698581 /nfs/dbraw/zinc/69/85/81/605698581.db2.gz HJKZQAHHXWXLQZ-RDJZCZTQSA-N -1 1 348.443 2.003 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000822614963 606166209 /nfs/dbraw/zinc/16/62/09/606166209.db2.gz YFBGIYMOYAUDJV-GRYCIOLGSA-N -1 1 344.423 2.081 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000822614963 606166211 /nfs/dbraw/zinc/16/62/11/606166211.db2.gz YFBGIYMOYAUDJV-GRYCIOLGSA-N -1 1 344.423 2.081 20 0 EEADMM Clc1ccc(NCCc2nc3ccccc3[nH]2)nc1-c1nnn[n-]1 ZINC000822578598 606442209 /nfs/dbraw/zinc/44/22/09/606442209.db2.gz LKQJJPOXJAIVCI-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc(NCCc2nc3ccccc3[nH]2)nc1-c1nn[n-]n1 ZINC000822578598 606442210 /nfs/dbraw/zinc/44/22/10/606442210.db2.gz LKQJJPOXJAIVCI-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823356327 606516047 /nfs/dbraw/zinc/51/60/47/606516047.db2.gz KSBMZOADGJKDMX-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823356327 606516048 /nfs/dbraw/zinc/51/60/48/606516048.db2.gz KSBMZOADGJKDMX-UHFFFAOYSA-N -1 1 328.313 2.027 20 0 EEADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823144891 606565595 /nfs/dbraw/zinc/56/55/95/606565595.db2.gz MSAPDWTXHQWRTF-XCBNKYQSSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823144891 606565596 /nfs/dbraw/zinc/56/55/96/606565596.db2.gz MSAPDWTXHQWRTF-XCBNKYQSSA-N -1 1 347.350 2.492 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCCCC1 ZINC000821572101 606597540 /nfs/dbraw/zinc/59/75/40/606597540.db2.gz RJAVTXMMUWVKOI-UHFFFAOYSA-N -1 1 332.412 2.177 20 0 EEADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCCCC1 ZINC000821572101 606597541 /nfs/dbraw/zinc/59/75/41/606597541.db2.gz RJAVTXMMUWVKOI-UHFFFAOYSA-N -1 1 332.412 2.177 20 0 EEADMM CO[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678643 606609547 /nfs/dbraw/zinc/60/95/47/606609547.db2.gz QKKJSGZDGHRJAB-NEPJUHHUSA-N -1 1 325.376 2.035 20 0 EEADMM CO[C@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678643 606609548 /nfs/dbraw/zinc/60/95/48/606609548.db2.gz QKKJSGZDGHRJAB-NEPJUHHUSA-N -1 1 325.376 2.035 20 0 EEADMM O=C(Cc1cccc(F)c1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823111811 606698592 /nfs/dbraw/zinc/69/85/92/606698592.db2.gz OCFCVKLSBDZVIB-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM CCc1noc(C)c1CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000821555047 606872886 /nfs/dbraw/zinc/87/28/86/606872886.db2.gz ZYOZEPZNHAYYQH-UHFFFAOYSA-N -1 1 331.405 2.425 20 0 EEADMM CO[C@H](CNc1nccnc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821677627 606880074 /nfs/dbraw/zinc/88/00/74/606880074.db2.gz ARRSNDUPLWDFPB-LLVKDONJSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1nccnc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821677627 606880075 /nfs/dbraw/zinc/88/00/75/606880075.db2.gz ARRSNDUPLWDFPB-LLVKDONJSA-N -1 1 331.767 2.110 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1noc(Cc2ccccc2)n1 ZINC000820462196 607235006 /nfs/dbraw/zinc/23/50/06/607235006.db2.gz VTZKYVQSJZWNAP-LLVKDONJSA-N -1 1 348.370 2.409 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820462196 607235007 /nfs/dbraw/zinc/23/50/07/607235007.db2.gz VTZKYVQSJZWNAP-LLVKDONJSA-N -1 1 348.370 2.409 20 0 EEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000824385723 607786030 /nfs/dbraw/zinc/78/60/30/607786030.db2.gz ZUDBFYSDHBDDLS-QMMMGPOBSA-N -1 1 347.329 2.011 20 0 EEADMM C[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000824385723 607786031 /nfs/dbraw/zinc/78/60/31/607786031.db2.gz ZUDBFYSDHBDDLS-QMMMGPOBSA-N -1 1 347.329 2.011 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826461883 607807193 /nfs/dbraw/zinc/80/71/93/607807193.db2.gz JAEVAEQKENSEBI-JIMOISOXSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC000826461883 607807194 /nfs/dbraw/zinc/80/71/94/607807194.db2.gz JAEVAEQKENSEBI-JIMOISOXSA-N -1 1 346.412 2.433 20 0 EEADMM Cc1cc(F)ccc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826268849 607852388 /nfs/dbraw/zinc/85/23/88/607852388.db2.gz PXVLLDWNFIIDSR-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1cccc(-c2nnn[n-]2)n1 ZINC000824763801 607900461 /nfs/dbraw/zinc/90/04/61/607900461.db2.gz PITSHGRNPVDBLF-APXPCNQMSA-N -1 1 342.428 2.197 20 0 EEADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1cccc(-c2nn[n-]n2)n1 ZINC000824763801 607900462 /nfs/dbraw/zinc/90/04/62/607900462.db2.gz PITSHGRNPVDBLF-APXPCNQMSA-N -1 1 342.428 2.197 20 0 EEADMM O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1sccc1-c1nn[n-]n1 ZINC000826462035 607964432 /nfs/dbraw/zinc/96/44/32/607964432.db2.gz MQSKSMVFXIKVFF-APPZFPTMSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826400704 607979016 /nfs/dbraw/zinc/97/90/16/607979016.db2.gz FQWVYIWTPCJGJF-DUXPYHPUSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(C=Cc1ccc(Cl)nc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826400704 607979017 /nfs/dbraw/zinc/97/90/17/607979017.db2.gz FQWVYIWTPCJGJF-DUXPYHPUSA-N -1 1 342.746 2.067 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(F)cc(F)cc1F ZINC000826451141 607998224 /nfs/dbraw/zinc/99/82/24/607998224.db2.gz RNSWGPNVRFUMIT-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM COc1cccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)c1 ZINC000826213966 608014412 /nfs/dbraw/zinc/01/44/12/608014412.db2.gz UMYIKAWKIWSJDH-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM COc1cccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)c1 ZINC000826213966 608014413 /nfs/dbraw/zinc/01/44/13/608014413.db2.gz UMYIKAWKIWSJDH-UHFFFAOYSA-N -1 1 339.384 2.244 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2ncc(C3CC3)o2)c2ccccc12 ZINC000826501395 608023464 /nfs/dbraw/zinc/02/34/64/608023464.db2.gz ODRLYJYGCCZNBH-UHFFFAOYSA-N -1 1 334.339 2.095 20 0 EEADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)c(F)c1 ZINC000826504357 608100024 /nfs/dbraw/zinc/10/00/24/608100024.db2.gz UMYDROJSMGJCGM-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826504357 608100025 /nfs/dbraw/zinc/10/00/25/608100025.db2.gz UMYDROJSMGJCGM-LBPRGKRZSA-N -1 1 334.742 2.200 20 0 EEADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000826285842 608129869 /nfs/dbraw/zinc/12/98/69/608129869.db2.gz LDLUUZJVPKHMGY-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000826285842 608129870 /nfs/dbraw/zinc/12/98/70/608129870.db2.gz LDLUUZJVPKHMGY-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824670429 608235535 /nfs/dbraw/zinc/23/55/35/608235535.db2.gz ONGLVDSEJFTMFN-RXMQYKEDSA-N -1 1 330.801 2.119 20 0 EEADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824670429 608235536 /nfs/dbraw/zinc/23/55/36/608235536.db2.gz ONGLVDSEJFTMFN-RXMQYKEDSA-N -1 1 330.801 2.119 20 0 EEADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)n1cncn1 ZINC000824045650 608349168 /nfs/dbraw/zinc/34/91/68/608349168.db2.gz OATZOTLEKMVUEC-MRVPVSSYSA-N -1 1 346.420 2.017 20 0 EEADMM C[C@H](C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)n1cncn1 ZINC000824045650 608349170 /nfs/dbraw/zinc/34/91/70/608349170.db2.gz OATZOTLEKMVUEC-MRVPVSSYSA-N -1 1 346.420 2.017 20 0 EEADMM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nc2ccccc2[nH]1 ZINC000824341816 608391300 /nfs/dbraw/zinc/39/13/00/608391300.db2.gz DXBHCRXVAADOPY-AWEZNQCLSA-N -1 1 335.375 2.342 20 0 EEADMM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nc2ccccc2[nH]1 ZINC000824341816 608391302 /nfs/dbraw/zinc/39/13/02/608391302.db2.gz DXBHCRXVAADOPY-AWEZNQCLSA-N -1 1 335.375 2.342 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826368100 608393828 /nfs/dbraw/zinc/39/38/28/608393828.db2.gz BWTCDVHJQKOHQV-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826368100 608393830 /nfs/dbraw/zinc/39/38/30/608393830.db2.gz BWTCDVHJQKOHQV-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM Cc1ccc(OCCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826292339 608400596 /nfs/dbraw/zinc/40/05/96/608400596.db2.gz QXCRRBVZYZAMBZ-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1ccc(OCCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826292339 608400597 /nfs/dbraw/zinc/40/05/97/608400597.db2.gz QXCRRBVZYZAMBZ-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826218658 608438593 /nfs/dbraw/zinc/43/85/93/608438593.db2.gz IEMVEAUOLHOGBB-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826218658 608438595 /nfs/dbraw/zinc/43/85/95/608438595.db2.gz IEMVEAUOLHOGBB-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM Fc1ccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1F ZINC000826373931 608675109 /nfs/dbraw/zinc/67/51/09/608675109.db2.gz FTWVKRHCNABRCW-OAHLLOKOSA-N -1 1 347.325 2.311 20 0 EEADMM Fc1ccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)cc1F ZINC000826373931 608675110 /nfs/dbraw/zinc/67/51/10/608675110.db2.gz FTWVKRHCNABRCW-OAHLLOKOSA-N -1 1 347.325 2.311 20 0 EEADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H](C(F)(F)F)O1 ZINC000824985839 608727986 /nfs/dbraw/zinc/72/79/86/608727986.db2.gz ZCKUNNMZKHMWJY-GMSGAONNSA-N -1 1 333.339 2.080 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000824123302 609431450 /nfs/dbraw/zinc/43/14/50/609431450.db2.gz CUOQZNACILSWIH-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CC(C)(C)Oc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000824123302 609431452 /nfs/dbraw/zinc/43/14/52/609431452.db2.gz CUOQZNACILSWIH-UHFFFAOYSA-N -1 1 325.376 2.446 20 0 EEADMM CCc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1C ZINC000825700517 609472333 /nfs/dbraw/zinc/47/23/33/609472333.db2.gz IOIUQUWCMPKRDA-UHFFFAOYSA-N -1 1 326.360 2.215 20 0 EEADMM CCc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1C ZINC000825700517 609472335 /nfs/dbraw/zinc/47/23/35/609472335.db2.gz IOIUQUWCMPKRDA-UHFFFAOYSA-N -1 1 326.360 2.215 20 0 EEADMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845345 674602735 /nfs/dbraw/zinc/60/27/35/674602735.db2.gz FMXVPCORDDOEGL-SNVBAGLBSA-N -1 1 341.260 2.464 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCC(F)(F)C(F)F)c(=O)[n-]1 ZINC000157494551 674677311 /nfs/dbraw/zinc/67/73/11/674677311.db2.gz QPUKRNHYEBIDCB-UHFFFAOYSA-N -1 1 342.314 2.176 20 0 EEADMM Cc1ccc(-c2csc(NC(=O)Cc3sc(N)nc3[O-])n2)cc1 ZINC000080159269 675455117 /nfs/dbraw/zinc/45/51/17/675455117.db2.gz OUVZWBRKMVCWEE-LLVKDONJSA-N -1 1 346.437 2.404 20 0 EEADMM COCc1cccc(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000080553391 675464629 /nfs/dbraw/zinc/46/46/29/675464629.db2.gz DFFHVJITUVOFCD-UHFFFAOYSA-N -1 1 329.400 2.278 20 0 EEADMM COc1cc([C@@H](C)NC(=O)CCc2nn[n-]n2)cc2ccccc21 ZINC000890793530 675649482 /nfs/dbraw/zinc/64/94/82/675649482.db2.gz LXFJMCBRWAIZHZ-LLVKDONJSA-N -1 1 325.372 2.172 20 0 EEADMM COc1ccccc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000144026257 675651902 /nfs/dbraw/zinc/65/19/02/675651902.db2.gz DMXHZZRGFQIKRW-UHFFFAOYSA-N -1 1 343.307 2.472 20 0 EEADMM O=C(NNC(=O)c1cc2ccccc2cc1[O-])c1cccc2c[nH]nc21 ZINC000050170715 676254592 /nfs/dbraw/zinc/25/45/92/676254592.db2.gz XBASXDREHUNXBA-UHFFFAOYSA-N -1 1 346.346 2.497 20 0 EEADMM CN(Cc1cccc(F)c1F)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971394410 676520514 /nfs/dbraw/zinc/52/05/14/676520514.db2.gz PHEJEHMVWKLSFS-CYBMUJFWSA-N -1 1 347.365 2.412 20 0 EEADMM CC(C)(C)c1cnc(CN[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC001022000042 676576583 /nfs/dbraw/zinc/57/65/83/676576583.db2.gz BWBBYAQRVONPCX-TXEJJXNPSA-N -1 1 344.415 2.123 20 0 EEADMM Nc1nc([O-])c(CC(=O)Nc2ccc3c4c(cccc42)CC3)s1 ZINC000079381885 676662218 /nfs/dbraw/zinc/66/22/18/676662218.db2.gz KVEWQTOVCHMSTM-CYBMUJFWSA-N -1 1 325.393 2.224 20 0 EEADMM C[C@H]1CCn2cc(C(=O)Nc3nc4c(c(=O)[n-]3)CCCC4)nc2C1 ZINC000891612898 676722671 /nfs/dbraw/zinc/72/26/71/676722671.db2.gz DMQBYNMAEJAZMS-JTQLQIEISA-N -1 1 327.388 2.092 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CCc2ccccc2O1 ZINC000891614076 676722892 /nfs/dbraw/zinc/72/28/92/676722892.db2.gz LFXOZZSDFAMNHK-OAHLLOKOSA-N -1 1 325.368 2.393 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H](c1ccccc1)n1cccn1 ZINC000891622783 676731519 /nfs/dbraw/zinc/73/15/19/676731519.db2.gz FNPRIYDWZDHBGY-INIZCTEOSA-N -1 1 349.394 2.486 20 0 EEADMM COCc1nc(NC[C@H]2CCN(c3ccccc3OC)C2)cc(=O)[n-]1 ZINC000892195137 678238669 /nfs/dbraw/zinc/23/86/69/678238669.db2.gz NOPLSUSJEBVOSL-CYBMUJFWSA-N -1 1 344.415 2.276 20 0 EEADMM Cc1cc(C)n(CC(=O)N[N-]C(=O)c2cc3ccccc3s2)n1 ZINC000022973716 678593715 /nfs/dbraw/zinc/59/37/15/678593715.db2.gz ASSRKYCYFSIVBW-UHFFFAOYSA-N -1 1 328.397 2.176 20 0 EEADMM COCc1nc(N[C@@H]2CCN(c3cccc(OC)c3)C2)cc(=O)[n-]1 ZINC000892311234 678698227 /nfs/dbraw/zinc/69/82/27/678698227.db2.gz SPAXHOKMKWJFHI-GFCCVEGCSA-N -1 1 330.388 2.028 20 0 EEADMM COCc1nc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc(=O)[n-]1 ZINC000892418618 679768300 /nfs/dbraw/zinc/76/83/00/679768300.db2.gz RNIZNYNNQFZUKU-SFHVURJKSA-N -1 1 347.390 2.418 20 0 EEADMM Cc1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000310727389 681637932 /nfs/dbraw/zinc/63/79/32/681637932.db2.gz BAXVRYSBHMVUAO-HNNXBMFYSA-N -1 1 339.395 2.093 20 0 EEADMM Cc1cccc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000937211577 681682118 /nfs/dbraw/zinc/68/21/18/681682118.db2.gz MFDFUPYGBNRTGY-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM CN(C(=O)[C@@]1(C)CC=CCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219227 681719967 /nfs/dbraw/zinc/71/99/67/681719967.db2.gz DRUVAPFMQRVIIB-LIRRHRJNSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC000937250169 681975177 /nfs/dbraw/zinc/97/51/77/681975177.db2.gz VNLVDCHDNVECIU-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM C[C@H]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC000982672945 682000514 /nfs/dbraw/zinc/00/05/14/682000514.db2.gz MEATZTSAUBJPHR-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cscc1C(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982671197 682009384 /nfs/dbraw/zinc/00/93/84/682009384.db2.gz OLZZAFQGIAFBRK-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000319540213 682054130 /nfs/dbraw/zinc/05/41/30/682054130.db2.gz BZRMONHZHSMAPM-UHFFFAOYSA-N -1 1 337.328 2.260 20 0 EEADMM Cc1csc(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)c1 ZINC000982723747 682109376 /nfs/dbraw/zinc/10/93/76/682109376.db2.gz OMYMLKSJWFMEPY-LBPRGKRZSA-N -1 1 345.424 2.049 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001025202526 682207036 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ZINC000953595584 1211906854 /nfs/dbraw/zinc/90/68/54/1211906854.db2.gz PBTVWSCVFCXEEJ-UKRRQHHQSA-N -1 1 343.427 2.397 20 0 EEADMM C[C@H](NC(=O)C1CCCC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000953596181 1211906946 /nfs/dbraw/zinc/90/69/46/1211906946.db2.gz XQCRBCVEZQKEJH-ZFWWWQNUSA-N -1 1 345.443 2.477 20 0 EEADMM CCn1c(CCNC(=O)CCO[C@@H](C)CC(C)C)n[n-]c1=S ZINC000087335499 1211976498 /nfs/dbraw/zinc/97/64/98/1211976498.db2.gz IWEAQIPWGBVUHA-LBPRGKRZSA-N -1 1 328.482 2.461 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OC[C@@H]1CCC[C@H](O)C1 ZINC000795356914 1212009000 /nfs/dbraw/zinc/00/90/00/1212009000.db2.gz ZZYUBLZUSXUHMP-OLZOCXBDSA-N -1 1 341.429 2.156 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC[C@@H]3C)cc2)cn1 ZINC000795325920 1212526717 /nfs/dbraw/zinc/52/67/17/1212526717.db2.gz XPRYYLCBABPALU-AWEZNQCLSA-N -1 1 347.440 2.416 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 ZINC000904217733 1212705693 /nfs/dbraw/zinc/70/56/93/1212705693.db2.gz PIJGYHKOSHMAOG-MRXNPFEDSA-N -1 1 348.418 2.361 20 0 EEADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)c1 ZINC001012507672 1225393487 /nfs/dbraw/zinc/39/34/87/1225393487.db2.gz VWQYDWLKVGNOCB-HIFRSBDPSA-N -1 1 339.395 2.129 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCC1 ZINC000955472128 1213093964 /nfs/dbraw/zinc/09/39/64/1213093964.db2.gz CKTOFMPKTKKVQC-OCCSQVGLSA-N -1 1 331.416 2.087 20 0 EEADMM CN(C)C(=O)CCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000795492696 1213273449 /nfs/dbraw/zinc/27/34/49/1213273449.db2.gz XQUXEJCBOZQLPJ-UHFFFAOYSA-N -1 1 330.178 2.180 20 0 EEADMM CC1(NC(=O)c2ncccc2[O-])CCN(C(=O)C2=CCCC2)CC1 ZINC000956343648 1213731438 /nfs/dbraw/zinc/73/14/38/1213731438.db2.gz NGSZTABGRKBDSW-UHFFFAOYSA-N -1 1 329.400 2.008 20 0 EEADMM CN(CCCN(C)C(=O)c1ncccc1[O-])C(=O)c1ccsc1 ZINC001066774741 1213786303 /nfs/dbraw/zinc/78/63/03/1213786303.db2.gz NZDXMRKCEJRESV-UHFFFAOYSA-N -1 1 333.413 2.083 20 0 EEADMM COC(=O)c1ccc(C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)[n-]1 ZINC000796369766 1213899898 /nfs/dbraw/zinc/89/98/98/1213899898.db2.gz SFOIGFIWHASYKP-SWLSCSKDSA-N -1 1 348.399 2.139 20 0 EEADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956477834 1213906867 /nfs/dbraw/zinc/90/68/67/1213906867.db2.gz GTKHMOCJPRAIIQ-UONOGXRCSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000958501398 1215742114 /nfs/dbraw/zinc/74/21/14/1215742114.db2.gz CJQNQHVNOMFMAW-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ncccc2O)cs1 ZINC000958647479 1215812873 /nfs/dbraw/zinc/81/28/73/1215812873.db2.gz OQKAEHPIFDWAKL-NHAGDIPZSA-N -1 1 329.425 2.017 20 0 EEADMM O=S(=O)([N-][C@@H](CCO)C1CC1)c1cc(Cl)sc1Cl ZINC000305178413 1216153538 /nfs/dbraw/zinc/15/35/38/1216153538.db2.gz BEUZTWGEDYRHKA-ZETCQYMHSA-N -1 1 330.258 2.494 20 0 EEADMM O=C(C=C1CCC1)N1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC000963680539 1217962823 /nfs/dbraw/zinc/96/28/23/1217962823.db2.gz FPUQSLXRWCZIOJ-OAHLLOKOSA-N -1 1 341.411 2.008 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001013482548 1225832967 /nfs/dbraw/zinc/83/29/67/1225832967.db2.gz LIIQCUDNHYPXBJ-TUVASFSCSA-N -1 1 345.443 2.333 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000965243176 1218983739 /nfs/dbraw/zinc/98/37/39/1218983739.db2.gz FDGCZUVGSRGSGO-LSDHHAIUSA-N -1 1 345.443 2.431 20 0 EEADMM CCC1(C(=O)N2C[C@H](NC(=O)c3ncccc3[O-])[C@@H](C)C2)CCCC1 ZINC000966771556 1220000698 /nfs/dbraw/zinc/00/06/98/1220000698.db2.gz ZOMSUTLUPZGDBA-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1)c1ncccc1[O-] ZINC001007186402 1222124566 /nfs/dbraw/zinc/12/45/66/1222124566.db2.gz BYSPQUVMJCRXPM-OAHLLOKOSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ncccc1[O-])C2)C1=CCCC1 ZINC001007295684 1222157773 /nfs/dbraw/zinc/15/77/73/1222157773.db2.gz GQITWFZTILBAOD-LIRRHRJNSA-N -1 1 341.411 2.008 20 0 EEADMM CC(C)[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001008084732 1222613127 /nfs/dbraw/zinc/61/31/27/1222613127.db2.gz QPMBZDYDJLRNGY-GXTWGEPZSA-N -1 1 333.432 2.046 20 0 EEADMM O=C(N[C@@H]1CCN(Cc2ccccc2Cl)C1)c1ncccc1[O-] ZINC001010730654 1223875253 /nfs/dbraw/zinc/87/52/53/1223875253.db2.gz GPPOSISZIJDAHU-CYBMUJFWSA-N -1 1 331.803 2.445 20 0 EEADMM CC1CC(C(=O)N[C@@]23CCC[C@@H]2N(C(=O)c2ncccc2[O-])CC3)C1 ZINC001014237797 1226393632 /nfs/dbraw/zinc/39/36/32/1226393632.db2.gz DICBUYQOXVMUJR-WVIZQFPTSA-N -1 1 343.427 2.087 20 0 EEADMM CN(C(=O)c1ccc(F)s1)C1CC(NC(=O)c2ncccc2[O-])C1 ZINC001016682481 1226772262 /nfs/dbraw/zinc/77/22/62/1226772262.db2.gz VATFBBHVDDGACU-UHFFFAOYSA-N -1 1 349.387 2.021 20 0 EEADMM CC(C)CC(=O)N1CCC(C2(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017153617 1227176956 /nfs/dbraw/zinc/17/69/56/1227176956.db2.gz BCTPTIALACSBFS-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CCC1(C(=O)N2CCC3(CN(C(=O)c4ncccc4[O-])C3)C2)CCC1 ZINC001018962770 1228578358 /nfs/dbraw/zinc/57/83/58/1228578358.db2.gz YRAZTZFLBRHVHP-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001019051277 1228676298 /nfs/dbraw/zinc/67/62/98/1228676298.db2.gz DOVCFGRXSKJJNV-UHFFFAOYSA-N -1 1 345.443 2.144 20 0 EEADMM CC1(C)CC(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC(C)(C)C1 ZINC001019195833 1228856722 /nfs/dbraw/zinc/85/67/22/1228856722.db2.gz JTNHPXHARHRDMI-ZDUSSCGKSA-N -1 1 349.479 2.053 20 0 EEADMM CN(C[C@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)C1CCCC1 ZINC001019750058 1229316657 /nfs/dbraw/zinc/31/66/57/1229316657.db2.gz QKCTYRXAUSGZDC-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H](c1cccc(F)c1)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001038183026 1229679462 /nfs/dbraw/zinc/67/94/62/1229679462.db2.gz FRAUPGOPLRNYQE-IUODEOHRSA-N -1 1 329.375 2.492 20 0 EEADMM CC[C@@]1(C)C[C@H]1C(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001067254763 1229776858 /nfs/dbraw/zinc/77/68/58/1229776858.db2.gz MXIXAITVUWZGBD-UGSOOPFHSA-N -1 1 333.432 2.144 20 0 EEADMM CCc1ccoc1C(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001067254965 1229780465 /nfs/dbraw/zinc/78/04/65/1229780465.db2.gz XQEJVBGLFXHLNL-UHFFFAOYSA-N -1 1 345.399 2.177 20 0 EEADMM CC(C)CC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC001054797029 1249087188 /nfs/dbraw/zinc/08/71/88/1249087188.db2.gz YSPQCDCZEXCQPI-SHTZXODSSA-N -1 1 347.459 2.486 20 0 EEADMM COc1ccc(OC)c(CCNC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000900337183 1234233133 /nfs/dbraw/zinc/23/31/33/1234233133.db2.gz CODJZILHEHNEOI-UHFFFAOYSA-N -1 1 343.383 2.049 20 0 EEADMM Cc1nc(Cl)cc(N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001046334166 1234677040 /nfs/dbraw/zinc/67/70/40/1234677040.db2.gz VXDKRMPXRRKLAH-PHIMTYICSA-N -1 1 347.806 2.160 20 0 EEADMM CCc1ccc(CCNS(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC001413300708 1235242649 /nfs/dbraw/zinc/24/26/49/1235242649.db2.gz GWVYZIOLHRPCMJ-UHFFFAOYSA-N -1 1 335.425 2.484 20 0 EEADMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@H]12)c1cnc(C2CC2)[n-]c1=O ZINC000901257327 1235450134 /nfs/dbraw/zinc/45/01/34/1235450134.db2.gz KKOWXDACOVHCIJ-GRYCIOLGSA-N -1 1 337.470 2.169 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)O[C@@H](C)c3nc(C)no3)n2)cc1 ZINC000801364546 1235461313 /nfs/dbraw/zinc/46/13/13/1235461313.db2.gz XKVGZDATIWHIMH-VIFPVBQESA-N -1 1 344.327 2.196 20 0 EEADMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801701455 1236050869 /nfs/dbraw/zinc/05/08/69/1236050869.db2.gz OEWWQCYMFNGXDH-VIFPVBQESA-N -1 1 332.310 2.026 20 0 EEADMM CC(C)=C(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC001047462128 1236053960 /nfs/dbraw/zinc/05/39/60/1236053960.db2.gz ZUTNUDZOTDSYOI-XQQFMLRXSA-N -1 1 347.390 2.160 20 0 EEADMM CC(C)(C)n1cc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cn1 ZINC000901880516 1236531509 /nfs/dbraw/zinc/53/15/09/1236531509.db2.gz WZHBKKDGSLAVGN-UHFFFAOYSA-N -1 1 331.420 2.370 20 0 EEADMM C[C@H]1Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)nnn4C)ccc2O1 ZINC000901956941 1236715962 /nfs/dbraw/zinc/71/59/62/1236715962.db2.gz OFVFJOIBFZYQTG-JTQLQIEISA-N -1 1 344.396 2.093 20 0 EEADMM O=C([O-])c1coc(CNCCCS(=O)(=O)Cc2ccccc2)c1 ZINC000902131743 1237102656 /nfs/dbraw/zinc/10/26/56/1237102656.db2.gz LRSUKFSRMHQYCN-UHFFFAOYSA-N -1 1 337.397 2.073 20 0 EEADMM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)OC ZINC001413432290 1237185630 /nfs/dbraw/zinc/18/56/30/1237185630.db2.gz PKJJEKSHAJMLPC-UHFFFAOYSA-N -1 1 335.372 2.223 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056222493 1238998263 /nfs/dbraw/zinc/99/82/63/1238998263.db2.gz OVKWHZFIZTUVDO-CABCVRRESA-N -1 1 345.443 2.429 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001000775441 1240916492 /nfs/dbraw/zinc/91/64/92/1240916492.db2.gz DOVDGDNFUPXBNS-OAHLLOKOSA-N -1 1 343.431 2.028 20 0 EEADMM CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001001086642 1241607624 /nfs/dbraw/zinc/60/76/24/1241607624.db2.gz OQURQBZCQVOTIL-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1nc(Cl)cc(N[C@H](CNC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001096639379 1243028390 /nfs/dbraw/zinc/02/83/90/1243028390.db2.gz LLGSSKSXQZTUIN-LLVKDONJSA-N -1 1 347.806 2.160 20 0 EEADMM CCCCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050528177 1243787667 /nfs/dbraw/zinc/78/76/67/1243787667.db2.gz BNYQMLVFHPUQFW-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CC1CCC(CN2CCOC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001050892822 1244564886 /nfs/dbraw/zinc/56/48/86/1244564886.db2.gz WIRWLNZIRCIJHW-UYSNPLJNSA-N -1 1 347.459 2.044 20 0 EEADMM Cc1ccnc(N(C)C[C@@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001051330216 1245557766 /nfs/dbraw/zinc/55/77/66/1245557766.db2.gz NHVUOJISNPEJBL-AWEZNQCLSA-N -1 1 341.415 2.017 20 0 EEADMM CCN(C(=O)Cc1cccs1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001413785246 1245855833 /nfs/dbraw/zinc/85/58/33/1245855833.db2.gz NHNVQRJVVNDDMA-GFCCVEGCSA-N -1 1 347.440 2.058 20 0 EEADMM CC(C)CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001051942379 1246288548 /nfs/dbraw/zinc/28/85/48/1246288548.db2.gz UMIXFDIMCKOKSA-KBPBESRZSA-N -1 1 333.432 2.048 20 0 EEADMM C[C@H](Nc1nccnc1F)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058006371 1248251218 /nfs/dbraw/zinc/25/12/18/1248251218.db2.gz FESGQUYVGUXGGR-RYUDHWBXSA-N -1 1 345.378 2.212 20 0 EEADMM C[C@H]1[C@H](Nc2nc(C3CC3)ns2)CCN1C(=O)c1ncccc1[O-] ZINC001068822266 1251741826 /nfs/dbraw/zinc/74/18/26/1251741826.db2.gz JIQRAEWYPRVPKA-GXSJLCMTSA-N -1 1 345.428 2.231 20 0 EEADMM CCC1(NC(=O)c2ncccc2[O-])CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001069281569 1252657438 /nfs/dbraw/zinc/65/74/38/1252657438.db2.gz XTLWWDNBEPIIRA-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](F)C(=O)N1CCC(CC)(NC(=O)c2ncccc2[O-])CC1 ZINC001069532161 1252977697 /nfs/dbraw/zinc/97/76/97/1252977697.db2.gz FGNDSXWLQBRKDH-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1nc(C)c(C)c(NC2CC(N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001069731762 1253199883 /nfs/dbraw/zinc/19/98/83/1253199883.db2.gz UWOHLTTUJMUNLH-UHFFFAOYSA-N -1 1 341.415 2.218 20 0 EEADMM Cc1nc(S(=O)(=O)[N-]CCC(C)(C)C)c(Br)n1C ZINC000394056609 1254096030 /nfs/dbraw/zinc/09/60/30/1254096030.db2.gz FJXJXEGQQHCYEY-UHFFFAOYSA-N -1 1 338.271 2.206 20 0 EEADMM 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C[C@H]1O[C@@H](C)[C@H](C)[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590333839 1349269490 /nfs/dbraw/zinc/26/94/90/1349269490.db2.gz HKLQACDWYNVGCK-QISWUMQESA-N -1 1 325.376 2.034 20 0 EEADMM O=C([O-])c1ccc2cc(CCNC(=O)CCc3cnc[nH]3)oc2c1 ZINC001601286799 1350249502 /nfs/dbraw/zinc/24/95/02/1350249502.db2.gz QTOFUXPTWDMLJN-UHFFFAOYSA-N -1 1 327.340 2.146 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(CO)(CO)CC1 ZINC001601691484 1350339217 /nfs/dbraw/zinc/33/92/17/1350339217.db2.gz VKVASROFKIVWGO-ZDUSSCGKSA-N -1 1 348.226 2.186 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN(Cc2c(Cl)cccc2N2CCCC2)C1 ZINC001601768720 1350359450 /nfs/dbraw/zinc/35/94/50/1350359450.db2.gz JPWNPMTWQQCWLT-CHWSQXEVSA-N -1 1 338.835 2.208 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2ccc(Br)nc2)C[C@H]1C1CC1 ZINC001602188475 1350461182 /nfs/dbraw/zinc/46/11/82/1350461182.db2.gz ABWKWXGKRPPDMQ-NWDGAFQWSA-N -1 1 325.206 2.387 20 0 EEADMM O=C([O-])[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC001602209255 1350466687 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O=S(=O)([N-]C1Cc2ccccc2C1)c1ccc(Cl)nc1F ZINC001309380461 1331627268 /nfs/dbraw/zinc/62/72/68/1331627268.db2.gz BRQNZYFDSXADJH-UHFFFAOYSA-N -1 1 326.780 2.320 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC001608820448 1351771551 /nfs/dbraw/zinc/77/15/51/1351771551.db2.gz WYVMKETVTZTLFE-IHRRRGAJSA-N -1 1 346.431 2.279 20 0 EEADMM O=C([O-])c1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ncn1 ZINC001608852287 1351779172 /nfs/dbraw/zinc/77/91/72/1351779172.db2.gz JYMWEMSTFJFKPF-CYBMUJFWSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ncn1 ZINC001608852287 1351779174 /nfs/dbraw/zinc/77/91/74/1351779174.db2.gz JYMWEMSTFJFKPF-CYBMUJFWSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cnc(C3CC3)[nH]1)C2 ZINC001608924911 1351795950 /nfs/dbraw/zinc/79/59/50/1351795950.db2.gz FTPWGIJCFXOMTA-UHFFFAOYSA-N -1 1 327.340 2.020 20 0 EEADMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319779125 1332765674 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CC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609151003 1351863590 /nfs/dbraw/zinc/86/35/90/1351863590.db2.gz CQJNSGPRNYJTNM-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM CC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609151003 1351863593 /nfs/dbraw/zinc/86/35/93/1351863593.db2.gz CQJNSGPRNYJTNM-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc2N(C)C1=O ZINC001609172850 1351877013 /nfs/dbraw/zinc/87/70/13/1351877013.db2.gz ANLJAQVHVLVCMR-NSHDSACASA-N -1 1 338.371 2.079 20 0 EEADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc2N(C)C1=O ZINC001609172850 1351877016 /nfs/dbraw/zinc/87/70/16/1351877016.db2.gz ANLJAQVHVLVCMR-NSHDSACASA-N -1 1 338.371 2.079 20 0 EEADMM CCC1(C)CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC001609196422 1351885988 /nfs/dbraw/zinc/88/59/88/1351885988.db2.gz IKLJKUBKBIERTP-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM CCC1(C)CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC001609196422 1351885990 /nfs/dbraw/zinc/88/59/90/1351885990.db2.gz IKLJKUBKBIERTP-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609274027 1351917432 /nfs/dbraw/zinc/91/74/32/1351917432.db2.gz PHTDKPYOMTZGKE-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609274027 1351917433 /nfs/dbraw/zinc/91/74/33/1351917433.db2.gz PHTDKPYOMTZGKE-JTQLQIEISA-N -1 1 342.325 2.286 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC001609392519 1351957604 /nfs/dbraw/zinc/95/76/04/1351957604.db2.gz SUPLADJFHVJSTK-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)c2cccc(-n3cccn3)c2)n1 ZINC001609392519 1351957606 /nfs/dbraw/zinc/95/76/06/1351957606.db2.gz SUPLADJFHVJSTK-GFCCVEGCSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2C[C@H](O)C(C)C ZINC001609403234 1351962432 /nfs/dbraw/zinc/96/24/32/1351962432.db2.gz UYROXPPDVRPELO-ZDUSSCGKSA-N -1 1 347.806 2.160 20 0 EEADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001609404383 1351963346 /nfs/dbraw/zinc/96/33/46/1351963346.db2.gz UTZLVRYKSZPSGI-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1cc([C@](C)(O)CNc2cc(C)nc(-c3nnn[n-]3)c2)c(C)o1 ZINC001609409493 1351965286 /nfs/dbraw/zinc/96/52/86/1351965286.db2.gz LUROWLVMWDZIGA-MRXNPFEDSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1cc([C@](C)(O)CNc2cc(C)nc(-c3nn[n-]n3)c2)c(C)o1 ZINC001609409493 1351965287 /nfs/dbraw/zinc/96/52/87/1351965287.db2.gz LUROWLVMWDZIGA-MRXNPFEDSA-N -1 1 328.376 2.100 20 0 EEADMM Cc1ccc(NCCCN(C)C(=O)OC(C)(C)C)nc1-c1nnn[n-]1 ZINC001609426128 1351972037 /nfs/dbraw/zinc/97/20/37/1351972037.db2.gz FLPPBTOOUJMCPG-UHFFFAOYSA-N -1 1 347.423 2.239 20 0 EEADMM Cc1ccc(NCCCN(C)C(=O)OC(C)(C)C)nc1-c1nn[n-]n1 ZINC001609426128 1351972045 /nfs/dbraw/zinc/97/20/45/1351972045.db2.gz FLPPBTOOUJMCPG-UHFFFAOYSA-N -1 1 347.423 2.239 20 0 EEADMM Cc1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)c(C(C)C)n1 ZINC001609420227 1351969930 /nfs/dbraw/zinc/96/99/30/1351969930.db2.gz YZWUAIKODOOFOR-UHFFFAOYSA-N -1 1 338.371 2.446 20 0 EEADMM Cc1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)c(C(C)C)n1 ZINC001609420227 1351969931 /nfs/dbraw/zinc/96/99/31/1351969931.db2.gz YZWUAIKODOOFOR-UHFFFAOYSA-N -1 1 338.371 2.446 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1-c1nn[n-]n1 ZINC001609444471 1351980712 /nfs/dbraw/zinc/98/07/12/1351980712.db2.gz DSMUAEFHEAFFOX-KCJUWKMLSA-N -1 1 341.375 2.186 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1-c1nnn[n-]1 ZINC001609471216 1351989875 /nfs/dbraw/zinc/98/98/75/1351989875.db2.gz APXJWCSBDFCGMR-NHCYSSNCSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001609471216 1351989876 /nfs/dbraw/zinc/98/98/76/1351989876.db2.gz APXJWCSBDFCGMR-NHCYSSNCSA-N -1 1 332.408 2.037 20 0 EEADMM Fc1ccc(C2(CNc3ncncc3-c3nn[n-]n3)CCC2)cc1 ZINC001609490297 1351996110 /nfs/dbraw/zinc/99/61/10/1351996110.db2.gz MMDPBAJVPFLSMS-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1cccc(CC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001609491560 1351996691 /nfs/dbraw/zinc/99/66/91/1351996691.db2.gz QATLCOADWPUDLQ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1cccc(CC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001609491560 1351996694 /nfs/dbraw/zinc/99/66/94/1351996694.db2.gz QATLCOADWPUDLQ-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cnc(-c3nnn[n-]3)cn1)CCS2 ZINC001609491452 1351996802 /nfs/dbraw/zinc/99/68/02/1351996802.db2.gz IGZVAEMHSKLMNW-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cnc(-c3nn[n-]n3)cn1)CCS2 ZINC001609491452 1351996804 /nfs/dbraw/zinc/99/68/04/1351996804.db2.gz IGZVAEMHSKLMNW-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1ccc(Cl)nc1F ZINC001331934420 1335680628 /nfs/dbraw/zinc/68/06/28/1335680628.db2.gz HZEGEQXFLZIIJI-SNVBAGLBSA-N -1 1 336.816 2.094 20 0 EEADMM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001609565283 1352018567 /nfs/dbraw/zinc/01/85/67/1352018567.db2.gz XHLFVCUWONURFE-UHFFFAOYSA-N -1 1 339.359 2.097 20 0 EEADMM O=C(Nc1nccc2ccncc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001609570717 1352019191 /nfs/dbraw/zinc/01/91/91/1352019191.db2.gz SHILQBVLHSHFCX-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Nc1nccc2ccncc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001609570717 1352019194 /nfs/dbraw/zinc/01/91/94/1352019194.db2.gz SHILQBVLHSHFCX-UHFFFAOYSA-N -1 1 335.302 2.201 20 0 EEADMM O=C(Oc1ccc2c(c1)CCCO2)c1sccc1-c1nn[n-]n1 ZINC001609579386 1352025213 /nfs/dbraw/zinc/02/52/13/1352025213.db2.gz WLEFLMDJUIPUBQ-UHFFFAOYSA-N -1 1 328.353 2.472 20 0 EEADMM CCc1oc2ccccc2c1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001333268374 1335992612 /nfs/dbraw/zinc/99/26/12/1335992612.db2.gz DXJICGBTEQKPJC-LLVKDONJSA-N -1 1 343.412 2.439 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc3c(c1)CCC3)CCC2 ZINC001609604203 1352032941 /nfs/dbraw/zinc/03/29/41/1352032941.db2.gz YSGUNWTXVCPQKP-UHFFFAOYSA-N -1 1 333.395 2.054 20 0 EEADMM CC(C)(N)c1noc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC001609678439 1352056690 /nfs/dbraw/zinc/05/66/90/1352056690.db2.gz KIELFMVFWKPPST-CHWSQXEVSA-N -1 1 336.436 2.119 20 0 EEADMM C[C@H](N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC001609774615 1352082460 /nfs/dbraw/zinc/08/24/60/1352082460.db2.gz KPKAAVXLZQYMRG-BLLLJJGKSA-N -1 1 330.359 2.438 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(N)=O)c3)cc2o1 ZINC001338845852 1336918806 /nfs/dbraw/zinc/91/88/06/1336918806.db2.gz WOLYYPUXSIQNHL-UHFFFAOYSA-N -1 1 345.380 2.344 20 0 EEADMM C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCN1C ZINC001609835152 1352096963 /nfs/dbraw/zinc/09/69/63/1352096963.db2.gz JCLJCBBSTALDCB-RKDXNWHRSA-N -1 1 327.331 2.219 20 0 EEADMM CCC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001609882932 1352110423 /nfs/dbraw/zinc/11/04/23/1352110423.db2.gz KTPFUIYDWWCUIX-XPTSAGLGSA-N -1 1 328.771 2.205 20 0 EEADMM CCC(C)(C)NC(=O)CN[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001609894078 1352113111 /nfs/dbraw/zinc/11/31/11/1352113111.db2.gz QAEMHZAJJWEMCH-SFHVURJKSA-N -1 1 336.432 2.280 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC001609899867 1352114726 /nfs/dbraw/zinc/11/47/26/1352114726.db2.gz MTXASDXMOHTJRT-UGSOOPFHSA-N -1 1 348.443 2.187 20 0 EEADMM CC[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1c(C)nn(C)c1C ZINC001609932928 1352123016 /nfs/dbraw/zinc/12/30/16/1352123016.db2.gz HLLSNZKHRJUJFZ-OAHLLOKOSA-N -1 1 344.415 2.415 20 0 EEADMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C(C)C ZINC001348564090 1337560295 /nfs/dbraw/zinc/56/02/95/1337560295.db2.gz VQQUCPPCJJPRDZ-VIFPVBQESA-N -1 1 327.233 2.338 20 0 EEADMM O=S(=O)([N-]CCCCOc1ccccc1)c1ccc(F)nc1F ZINC001351795239 1337850537 /nfs/dbraw/zinc/85/05/37/1337850537.db2.gz UNKXDYRGBGJASO-UHFFFAOYSA-N -1 1 342.367 2.497 20 0 EEADMM CN(CCc1ccncc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610119904 1352166491 /nfs/dbraw/zinc/16/64/91/1352166491.db2.gz RDHAGUORRNDYRH-CQSZACIVSA-N -1 1 345.424 2.121 20 0 EEADMM CO[C@H](C)c1noc(CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001610226827 1352190252 /nfs/dbraw/zinc/19/02/52/1352190252.db2.gz WNXLWDNMQHAWAF-SCRDCRAPSA-N -1 1 333.388 2.199 20 0 EEADMM COc1ccccc1C1(NCC(=O)N[C@H](CC(C)C)C(=O)[O-])CCC1 ZINC001610363748 1352211317 /nfs/dbraw/zinc/21/13/17/1352211317.db2.gz RINIBHKMBDBBQW-OAHLLOKOSA-N -1 1 348.443 2.280 20 0 EEADMM CNc1ccccc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848342628 1338684626 /nfs/dbraw/zinc/68/46/26/1338684626.db2.gz WEROSYMEDOCHTN-ZYHUDNBSSA-N -1 1 343.349 2.400 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@](C)(O)CC1 ZINC001610486427 1352231269 /nfs/dbraw/zinc/23/12/69/1352231269.db2.gz HUDOWUPPIKBRRZ-FZKQIMNGSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])no2)N2CCCC2)cc1 ZINC001610492690 1352232542 /nfs/dbraw/zinc/23/25/42/1352232542.db2.gz RKDOISUBHUGBAK-HNNXBMFYSA-N -1 1 343.383 2.248 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC001610794408 1352275887 /nfs/dbraw/zinc/27/58/87/1352275887.db2.gz XLXFTCLDQHDLFY-UHFFFAOYSA-N -1 1 341.342 2.302 20 0 EEADMM Cc1onc(-c2cccc(F)c2)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC001611062202 1352293800 /nfs/dbraw/zinc/29/38/00/1352293800.db2.gz ANNXGUICTZIXPR-SECBINFHSA-N -1 1 344.350 2.178 20 0 EEADMM CC[C@H](C)C(=O)N(C)C[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001430116127 1340130003 /nfs/dbraw/zinc/13/00/03/1340130003.db2.gz PJJLUTQLIKPQNE-UONOGXRCSA-N -1 1 333.432 2.144 20 0 EEADMM CC[C@@H](CNC(=O)c1cnc(C2CC2)[n-]c1=O)NC(=O)C(C)(C)CC ZINC001430589969 1340263055 /nfs/dbraw/zinc/26/30/55/1340263055.db2.gz PXECYPUBVFVAEI-LBPRGKRZSA-N -1 1 348.447 2.120 20 0 EEADMM O=C(CC1COC1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001433617431 1341639332 /nfs/dbraw/zinc/63/93/32/1341639332.db2.gz ZUXRIOJUMWHOOT-UHFFFAOYSA-N -1 1 346.408 2.462 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccnc2C)c(F)c1 ZINC001434585533 1341878855 /nfs/dbraw/zinc/87/88/55/1341878855.db2.gz CZMSMGIZNSVONI-UHFFFAOYSA-N -1 1 328.340 2.155 20 0 EEADMM O=C(N[C@@H](CO)c1ccc(F)cc1F)c1c(F)ccc([O-])c1F ZINC001470395828 1342094127 /nfs/dbraw/zinc/09/41/27/1342094127.db2.gz AGFWAGIDYJHIIF-NSHDSACASA-N -1 1 329.249 2.412 20 0 EEADMM O=C(c1ccc([O-])cn1)N(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC001556333488 1342427801 /nfs/dbraw/zinc/42/78/01/1342427801.db2.gz HQUMDOZLWOTVRB-UHFFFAOYSA-N -1 1 335.367 2.173 20 0 EEADMM C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001576398033 1344009508 /nfs/dbraw/zinc/00/95/08/1344009508.db2.gz BKHZDIDNJGLXSJ-NSHDSACASA-N -1 1 335.371 2.413 20 0 EEADMM C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001576398033 1344009511 /nfs/dbraw/zinc/00/95/11/1344009511.db2.gz BKHZDIDNJGLXSJ-NSHDSACASA-N -1 1 335.371 2.413 20 0 EEADMM CN(C)c1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001578998852 1344328090 /nfs/dbraw/zinc/32/80/90/1344328090.db2.gz VDLSNVJALPRVMB-UHFFFAOYSA-N -1 1 349.807 2.295 20 0 EEADMM CN(C)c1cc(NC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC001578997000 1344328649 /nfs/dbraw/zinc/32/86/49/1344328649.db2.gz MZLUFHFTVZKHHX-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM CN(C)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC001578997000 1344328650 /nfs/dbraw/zinc/32/86/50/1344328650.db2.gz MZLUFHFTVZKHHX-UHFFFAOYSA-N -1 1 343.778 2.233 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001579929654 1344433678 /nfs/dbraw/zinc/43/36/78/1344433678.db2.gz WDOCTOVBPVFCBC-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001579929654 1344433682 /nfs/dbraw/zinc/43/36/82/1344433682.db2.gz WDOCTOVBPVFCBC-UHFFFAOYSA-N -1 1 344.762 2.105 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001580073929 1344465912 /nfs/dbraw/zinc/46/59/12/1344465912.db2.gz GYFDUBHDXSMWPR-FZMZJTMJSA-N -1 1 339.355 2.002 20 0 EEADMM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001580073929 1344465916 /nfs/dbraw/zinc/46/59/16/1344465916.db2.gz GYFDUBHDXSMWPR-FZMZJTMJSA-N -1 1 339.355 2.002 20 0 EEADMM COc1ccccc1NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001580083429 1344469063 /nfs/dbraw/zinc/46/90/63/1344469063.db2.gz IRSIEGPZDITFPN-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM COc1ccccc1NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001580083429 1344469070 /nfs/dbraw/zinc/46/90/70/1344469070.db2.gz IRSIEGPZDITFPN-UHFFFAOYSA-N -1 1 342.384 2.001 20 0 EEADMM COc1ccnc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1F ZINC001580095205 1344470861 /nfs/dbraw/zinc/47/08/61/1344470861.db2.gz NWFBATPMBMFSHJ-UHFFFAOYSA-N -1 1 335.730 2.070 20 0 EEADMM COc1ccnc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1F ZINC001580095205 1344470865 /nfs/dbraw/zinc/47/08/65/1344470865.db2.gz NWFBATPMBMFSHJ-UHFFFAOYSA-N -1 1 335.730 2.070 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580553040 1344535347 /nfs/dbraw/zinc/53/53/47/1344535347.db2.gz WBTKBHQIRONHNS-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1c(Cl)cccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580553040 1344535350 /nfs/dbraw/zinc/53/53/50/1344535350.db2.gz WBTKBHQIRONHNS-UHFFFAOYSA-N -1 1 334.792 2.215 20 0 EEADMM Cc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)nc1C ZINC001581173829 1344594881 /nfs/dbraw/zinc/59/48/81/1344594881.db2.gz BUFAWFSHXFKTKP-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001581745610 1344658559 /nfs/dbraw/zinc/65/85/59/1344658559.db2.gz LKEMWKXLAXUULJ-YPMHNXCESA-N -1 1 343.778 2.252 20 0 EEADMM Clc1ccc([C@@H]2OCC[C@H]2Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001581745610 1344658562 /nfs/dbraw/zinc/65/85/62/1344658562.db2.gz LKEMWKXLAXUULJ-YPMHNXCESA-N -1 1 343.778 2.252 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccc(F)c2ccccc12 ZINC001581909079 1344686593 /nfs/dbraw/zinc/68/65/93/1344686593.db2.gz OOQCSTPYHASBOG-SOFGYWHQSA-N -1 1 349.329 2.291 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)OCc1ccccc1 ZINC001582133472 1344704572 /nfs/dbraw/zinc/70/45/72/1344704572.db2.gz HJFRHJVOPVOKFQ-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)OCc1ccccc1 ZINC001582133472 1344704577 /nfs/dbraw/zinc/70/45/77/1344704577.db2.gz HJFRHJVOPVOKFQ-UHFFFAOYSA-N -1 1 327.369 2.097 20 0 EEADMM O=C(CSCc1cccc(Cl)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582132815 1344705134 /nfs/dbraw/zinc/70/51/34/1344705134.db2.gz AWNYHHZWRWDLNB-UHFFFAOYSA-N -1 1 349.807 2.115 20 0 EEADMM O=C(CSCc1cccc(Cl)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582132815 1344705137 /nfs/dbraw/zinc/70/51/37/1344705137.db2.gz AWNYHHZWRWDLNB-UHFFFAOYSA-N -1 1 349.807 2.115 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC001582546202 1344760054 /nfs/dbraw/zinc/76/00/54/1344760054.db2.gz RUBVRHNHHKIKSN-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1F ZINC001582558516 1344763063 /nfs/dbraw/zinc/76/30/63/1344763063.db2.gz BADRVPZRYMFAJL-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1F ZINC001582558516 1344763068 /nfs/dbraw/zinc/76/30/68/1344763068.db2.gz BADRVPZRYMFAJL-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1Cc2ccccc21 ZINC001582653572 1344778360 /nfs/dbraw/zinc/77/83/60/1344778360.db2.gz KUVCSDOMBGIZFW-MRVPVSSYSA-N -1 1 332.776 2.255 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC001582820604 1344798475 /nfs/dbraw/zinc/79/84/75/1344798475.db2.gz OPOWRALZQKYCTI-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM c1csc([C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC001582820604 1344798480 /nfs/dbraw/zinc/79/84/80/1344798480.db2.gz OPOWRALZQKYCTI-MWLCHTKSSA-N -1 1 329.389 2.050 20 0 EEADMM Brc1c2ccccc2oc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001588316101 1348884082 /nfs/dbraw/zinc/88/40/82/1348884082.db2.gz MWWDFXGNHLSEQC-UHFFFAOYSA-N -1 1 346.148 2.015 20 0 EEADMM CC(C)(C)OC(=O)NCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001589183272 1348967108 /nfs/dbraw/zinc/96/71/08/1348967108.db2.gz POXIBHDDIKGOJR-UHFFFAOYSA-N -1 1 325.394 2.218 20 0 EEADMM CC(C)(C)OC(=O)NCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001589183272 1348967111 /nfs/dbraw/zinc/96/71/11/1348967111.db2.gz POXIBHDDIKGOJR-UHFFFAOYSA-N -1 1 325.394 2.218 20 0 EEADMM CC(C)(C)c1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001589227360 1348972460 /nfs/dbraw/zinc/97/24/60/1348972460.db2.gz STEIDXHSUZJIQA-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001589227360 1348972463 /nfs/dbraw/zinc/97/24/63/1348972463.db2.gz STEIDXHSUZJIQA-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)O[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001589735826 1349024318 /nfs/dbraw/zinc/02/43/18/1349024318.db2.gz IBFLEFSUOKLMAW-GFCCVEGCSA-N -1 1 344.400 2.428 20 0 EEADMM CC(C)O[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589735826 1349024323 /nfs/dbraw/zinc/02/43/23/1349024323.db2.gz IBFLEFSUOKLMAW-GFCCVEGCSA-N -1 1 344.400 2.428 20 0 EEADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(-c2nn[nH]n2)cc1 ZINC001589941019 1349071555 /nfs/dbraw/zinc/07/15/55/1349071555.db2.gz JHOULYSFHMSDBM-MRVPVSSYSA-N -1 1 345.309 2.342 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1nc(C(F)(F)F)cs1 ZINC001589980224 1349090491 /nfs/dbraw/zinc/09/04/91/1349090491.db2.gz JDQOQWLMODGGJY-RXMQYKEDSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1nc(C(F)(F)F)cs1 ZINC001589980224 1349090498 /nfs/dbraw/zinc/09/04/98/1349090498.db2.gz JDQOQWLMODGGJY-RXMQYKEDSA-N -1 1 342.310 2.305 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590015019 1349108411 /nfs/dbraw/zinc/10/84/11/1349108411.db2.gz CCJZCVXGLXRBLS-LLVKDONJSA-N -1 1 330.392 2.328 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590015019 1349108419 /nfs/dbraw/zinc/10/84/19/1349108419.db2.gz CCJZCVXGLXRBLS-LLVKDONJSA-N -1 1 330.392 2.328 20 0 EEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590040588 1349121584 /nfs/dbraw/zinc/12/15/84/1349121584.db2.gz QCYJDGXUVZEBQC-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590040588 1349121591 /nfs/dbraw/zinc/12/15/91/1349121591.db2.gz QCYJDGXUVZEBQC-SECBINFHSA-N -1 1 344.325 2.373 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590121996 1349164015 /nfs/dbraw/zinc/16/40/15/1349164015.db2.gz KKSLVONLMSEJDS-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590121996 1349164022 /nfs/dbraw/zinc/16/40/22/1349164022.db2.gz KKSLVONLMSEJDS-QGZVFWFLSA-N -1 1 326.404 2.447 20 0 EEADMM CC1(CC(F)(F)F)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590123174 1349165337 /nfs/dbraw/zinc/16/53/37/1349165337.db2.gz FXEJPZQJBMZKHM-UHFFFAOYSA-N -1 1 341.297 2.068 20 0 EEADMM CC1(CC(F)(F)F)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590123174 1349165344 /nfs/dbraw/zinc/16/53/44/1349165344.db2.gz FXEJPZQJBMZKHM-UHFFFAOYSA-N -1 1 341.297 2.068 20 0 EEADMM C[C@]1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCOC1 ZINC001590133831 1349168760 /nfs/dbraw/zinc/16/87/60/1349168760.db2.gz HHTPUAIUVPWUPE-GFCCVEGCSA-N -1 1 328.298 2.119 20 0 EEADMM C[C@]1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCOC1 ZINC001590133831 1349168769 /nfs/dbraw/zinc/16/87/69/1349168769.db2.gz HHTPUAIUVPWUPE-GFCCVEGCSA-N -1 1 328.298 2.119 20 0 EEADMM C[C@@]1(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1(Cl)Cl ZINC001590137370 1349170451 /nfs/dbraw/zinc/17/04/51/1349170451.db2.gz XPJOQQHQWFSVMK-NSHDSACASA-N -1 1 328.159 2.002 20 0 EEADMM C[C@@]1(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1(Cl)Cl ZINC001590137370 1349170456 /nfs/dbraw/zinc/17/04/56/1349170456.db2.gz XPJOQQHQWFSVMK-NSHDSACASA-N -1 1 328.159 2.002 20 0 EEADMM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001590152235 1349176079 /nfs/dbraw/zinc/17/60/79/1349176079.db2.gz SYYVDNLDKALBHQ-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001590152235 1349176082 /nfs/dbraw/zinc/17/60/82/1349176082.db2.gz SYYVDNLDKALBHQ-QGZVFWFLSA-N -1 1 341.346 2.403 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nnn[n-]2)c1 ZINC001590226223 1349210959 /nfs/dbraw/zinc/21/09/59/1349210959.db2.gz MQDAWQBAPDBGLE-VXGBXAGGSA-N -1 1 344.419 2.208 20 0 EEADMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1c1ccnc(-c2nn[n-]n2)c1 ZINC001590226223 1349210961 /nfs/dbraw/zinc/21/09/61/1349210961.db2.gz MQDAWQBAPDBGLE-VXGBXAGGSA-N -1 1 344.419 2.208 20 0 EEADMM CC1CCC(N(C)C(=O)CSc2cccnc2-c2nnn[n-]2)CC1 ZINC001590232104 1349215836 /nfs/dbraw/zinc/21/58/36/1349215836.db2.gz ZZXGIQCCTVDTDM-UHFFFAOYSA-N -1 1 346.460 2.391 20 0 EEADMM CC1CCC(N(C)C(=O)CSc2cccnc2-c2nn[n-]n2)CC1 ZINC001590232104 1349215841 /nfs/dbraw/zinc/21/58/41/1349215841.db2.gz ZZXGIQCCTVDTDM-UHFFFAOYSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001590235684 1349216805 /nfs/dbraw/zinc/21/68/05/1349216805.db2.gz ABLZTWLPTDBNJC-KXUCPTDWSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001590235684 1349216811 /nfs/dbraw/zinc/21/68/11/1349216811.db2.gz ABLZTWLPTDBNJC-KXUCPTDWSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590247531 1349225046 /nfs/dbraw/zinc/22/50/46/1349225046.db2.gz BUBDHAPOACQXGE-NOZJJQNGSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590247531 1349225051 /nfs/dbraw/zinc/22/50/51/1349225051.db2.gz BUBDHAPOACQXGE-NOZJJQNGSA-N -1 1 341.462 2.175 20 0 EEADMM CC1CCN(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001590264358 1349239973 /nfs/dbraw/zinc/23/99/73/1349239973.db2.gz PFWQTWOSXFTOTE-UHFFFAOYSA-N -1 1 336.346 2.086 20 0 EEADMM CC1CCN(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001590264358 1349239976 /nfs/dbraw/zinc/23/99/76/1349239976.db2.gz PFWQTWOSXFTOTE-UHFFFAOYSA-N -1 1 336.346 2.086 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3cccc(-c4nnn[n-]4)n3)sc2C1 ZINC001590279571 1349245041 /nfs/dbraw/zinc/24/50/41/1349245041.db2.gz FTLIDQKCSPQCNM-MRVPVSSYSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@@H]1CCc2nc(NC(=O)c3cccc(-c4nn[n-]n4)n3)sc2C1 ZINC001590279571 1349245045 /nfs/dbraw/zinc/24/50/45/1349245045.db2.gz FTLIDQKCSPQCNM-MRVPVSSYSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1c1ccccc1 ZINC001590294461 1349249433 /nfs/dbraw/zinc/24/94/33/1349249433.db2.gz PTBRQKIWYHYAHO-IAQYHMDHSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1c1ccccc1 ZINC001590294461 1349249436 /nfs/dbraw/zinc/24/94/36/1349249436.db2.gz PTBRQKIWYHYAHO-IAQYHMDHSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCc2ccc(F)cc21 ZINC001590301092 1349252302 /nfs/dbraw/zinc/25/23/02/1349252302.db2.gz QSLFIGIFUMJGAN-SNVBAGLBSA-N -1 1 341.346 2.401 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCc2ccc(F)cc21 ZINC001590301092 1349252307 /nfs/dbraw/zinc/25/23/07/1349252307.db2.gz QSLFIGIFUMJGAN-SNVBAGLBSA-N -1 1 341.346 2.401 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001590343738 1349275992 /nfs/dbraw/zinc/27/59/92/1349275992.db2.gz POIVZORUXQNQFM-VIFPVBQESA-N -1 1 341.400 2.474 20 0 EEADMM C[C@H]1c2sccc2CCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001590343738 1349275998 /nfs/dbraw/zinc/27/59/98/1349275998.db2.gz POIVZORUXQNQFM-VIFPVBQESA-N -1 1 341.400 2.474 20 0 EEADMM CC/C(C)=C/C(=O)NC[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590393591 1349302146 /nfs/dbraw/zinc/30/21/46/1349302146.db2.gz PCOYBWCADQLKSB-ZKXNXJMVSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](C)Oc1cc(NCc2nc(-c3nnn[n-]3)cs2)nc(C)n1 ZINC001590415671 1349314361 /nfs/dbraw/zinc/31/43/61/1349314361.db2.gz BERKLUJDXPYDNR-MRVPVSSYSA-N -1 1 346.420 2.211 20 0 EEADMM CC[C@@H](C)Oc1cc(NCc2nc(-c3nn[n-]n3)cs2)nc(C)n1 ZINC001590415671 1349314366 /nfs/dbraw/zinc/31/43/66/1349314366.db2.gz BERKLUJDXPYDNR-MRVPVSSYSA-N -1 1 346.420 2.211 20 0 EEADMM CC[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC001590421989 1349316936 /nfs/dbraw/zinc/31/69/36/1349316936.db2.gz LXQUPVQMGSDKDD-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590421989 1349316939 /nfs/dbraw/zinc/31/69/39/1349316939.db2.gz LXQUPVQMGSDKDD-JTQLQIEISA-N -1 1 341.375 2.121 20 0 EEADMM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001590450668 1349332322 /nfs/dbraw/zinc/33/23/22/1349332322.db2.gz SABPBKDXLPBCGW-LBPRGKRZSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001590450668 1349332327 /nfs/dbraw/zinc/33/23/27/1349332327.db2.gz SABPBKDXLPBCGW-LBPRGKRZSA-N -1 1 325.376 2.106 20 0 EEADMM CC[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1c(C)noc1C ZINC001590460209 1349336794 /nfs/dbraw/zinc/33/67/94/1349336794.db2.gz ZCQKYJQTDQJBOI-SNVBAGLBSA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1c(C)noc1C ZINC001590460209 1349336798 /nfs/dbraw/zinc/33/67/98/1349336798.db2.gz ZCQKYJQTDQJBOI-SNVBAGLBSA-N -1 1 332.389 2.414 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)C12CCC2 ZINC001590789980 1349400183 /nfs/dbraw/zinc/40/01/83/1349400183.db2.gz BRNAUOKCWFTWNL-QWHCGFSZSA-N -1 1 341.419 2.294 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)C12CCC2 ZINC001590789980 1349400193 /nfs/dbraw/zinc/40/01/93/1349400193.db2.gz BRNAUOKCWFTWNL-QWHCGFSZSA-N -1 1 341.419 2.294 20 0 EEADMM CC[C@H](C)[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)C(=O)OC(C)(C)C ZINC001590867847 1349407490 /nfs/dbraw/zinc/40/74/90/1349407490.db2.gz TUOMOUNACBAZTF-ZANVPECISA-N -1 1 347.423 2.133 20 0 EEADMM CC[C@H](C)[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)C(=O)OC(C)(C)C ZINC001590867847 1349407498 /nfs/dbraw/zinc/40/74/98/1349407498.db2.gz TUOMOUNACBAZTF-ZANVPECISA-N -1 1 347.423 2.133 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3cnc(-c4nnn[n-]4)cn3)ccc12 ZINC001590878730 1349407979 /nfs/dbraw/zinc/40/79/79/1349407979.db2.gz ZYSGWVUZKVIXTI-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3cnc(-c4nn[n-]n4)cn3)ccc12 ZINC001590878730 1349407985 /nfs/dbraw/zinc/40/79/85/1349407985.db2.gz ZYSGWVUZKVIXTI-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2ccc(-c3nn[nH]n3)cc2F)n1 ZINC001590878447 1349408361 /nfs/dbraw/zinc/40/83/61/1349408361.db2.gz UNGSDFBOYCZSMG-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nnn[n-]2)cc1F ZINC001591595506 1349511015 /nfs/dbraw/zinc/51/10/15/1349511015.db2.gz MZLHHWGIUJVNNK-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM COc1ccc(CNC(=O)c2ccsc2-c2nn[n-]n2)cc1F ZINC001591595506 1349511021 /nfs/dbraw/zinc/51/10/21/1349511021.db2.gz MZLHHWGIUJVNNK-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM Cc1cc(C)c(-c2nn[nH]n2)c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001591944603 1349566274 /nfs/dbraw/zinc/56/62/74/1349566274.db2.gz OCNZEHOTUAXTLQ-CHWSQXEVSA-N -1 1 348.476 2.080 20 0 EEADMM Cc1nc(N[C@H]2CCCOc3c(F)cccc32)cc(-c2nnn[n-]2)n1 ZINC001592384901 1349625928 /nfs/dbraw/zinc/62/59/28/1349625928.db2.gz ZDLRGRXXXJIBTO-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nc(N[C@H]2CCCOc3c(F)cccc32)cc(-c2nn[n-]n2)n1 ZINC001592384901 1349625931 /nfs/dbraw/zinc/62/59/31/1349625931.db2.gz ZDLRGRXXXJIBTO-LBPRGKRZSA-N -1 1 341.350 2.430 20 0 EEADMM Cc1nn(-c2ccccc2)c(COC(=O)CC2CC2)c1-c1nn[n-]n1 ZINC001592425956 1349629446 /nfs/dbraw/zinc/62/94/46/1349629446.db2.gz JGERZRXSYVHSEY-UHFFFAOYSA-N -1 1 338.371 2.204 20 0 EEADMM Cc1nsc(N2Cc3ccc(O)cc3C3(CC3)C2)c1-c1nn[n-]n1 ZINC001592476748 1349635961 /nfs/dbraw/zinc/63/59/61/1349635961.db2.gz CEZGKZCANTZFLI-UHFFFAOYSA-N -1 1 340.412 2.389 20 0 EEADMM Cc1nsc(NC[C@@H](O)CCc2ccccc2)c1-c1nn[n-]n1 ZINC001592488232 1349636584 /nfs/dbraw/zinc/63/65/84/1349636584.db2.gz ZQJVIEOVMPXYID-LBPRGKRZSA-N -1 1 330.417 2.037 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001592498679 1349637150 /nfs/dbraw/zinc/63/71/50/1349637150.db2.gz CVAXWGNMXJWBME-GFCCVEGCSA-N -1 1 333.298 2.348 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001592498679 1349637151 /nfs/dbraw/zinc/63/71/51/1349637151.db2.gz CVAXWGNMXJWBME-GFCCVEGCSA-N -1 1 333.298 2.348 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001592496469 1349637280 /nfs/dbraw/zinc/63/72/80/1349637280.db2.gz ZTYCURKRSZATEF-UHFFFAOYSA-N -1 1 343.391 2.061 20 0 EEADMM Cc1onc(CC(=O)NCC(C2CCC2)C2CCC2)c1-c1nnn[n-]1 ZINC001592517897 1349644260 /nfs/dbraw/zinc/64/42/60/1349644260.db2.gz XDMPOSYZYDIXCZ-UHFFFAOYSA-N -1 1 344.419 2.038 20 0 EEADMM Cc1onc(CC(=O)NCC(C2CCC2)C2CCC2)c1-c1nn[n-]n1 ZINC001592517897 1349644262 /nfs/dbraw/zinc/64/42/62/1349644262.db2.gz XDMPOSYZYDIXCZ-UHFFFAOYSA-N -1 1 344.419 2.038 20 0 EEADMM Cc1onc(CC(=O)N2CCC(C)(CC(C)C)CC2)c1-c1nnn[n-]1 ZINC001592516151 1349644309 /nfs/dbraw/zinc/64/43/09/1349644309.db2.gz UDESSRKLIGFFGX-UHFFFAOYSA-N -1 1 346.435 2.380 20 0 EEADMM Cc1onc(CC(=O)N2CCC(C)(CC(C)C)CC2)c1-c1nn[n-]n1 ZINC001592516151 1349644311 /nfs/dbraw/zinc/64/43/11/1349644311.db2.gz UDESSRKLIGFFGX-UHFFFAOYSA-N -1 1 346.435 2.380 20 0 EEADMM Clc1ncc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)s1 ZINC001592537523 1349652216 /nfs/dbraw/zinc/65/22/16/1349652216.db2.gz IOVKGLYSUFIKPE-UHFFFAOYSA-N -1 1 334.796 2.256 20 0 EEADMM Clc1ncc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)s1 ZINC001592537523 1349652217 /nfs/dbraw/zinc/65/22/17/1349652217.db2.gz IOVKGLYSUFIKPE-UHFFFAOYSA-N -1 1 334.796 2.256 20 0 EEADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592584069 1349664404 /nfs/dbraw/zinc/66/44/04/1349664404.db2.gz CWFFLCBUBXFBAY-LBPRGKRZSA-N -1 1 326.360 2.166 20 0 EEADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592584069 1349664408 /nfs/dbraw/zinc/66/44/08/1349664408.db2.gz CWFFLCBUBXFBAY-LBPRGKRZSA-N -1 1 326.360 2.166 20 0 EEADMM FC(F)(F)c1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001592620271 1349675150 /nfs/dbraw/zinc/67/51/50/1349675150.db2.gz QIXJPQQZSIZACX-UHFFFAOYSA-N -1 1 333.277 2.383 20 0 EEADMM Fc1ccc(C2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001592647674 1349692378 /nfs/dbraw/zinc/69/23/78/1349692378.db2.gz VPHXECZENZVRKA-UHFFFAOYSA-N -1 1 339.378 2.356 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001592647382 1349692513 /nfs/dbraw/zinc/69/25/13/1349692513.db2.gz RGPZZAUUFUFVGU-CHWSQXEVSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647382 1349692517 /nfs/dbraw/zinc/69/25/17/1349692517.db2.gz RGPZZAUUFUFVGU-CHWSQXEVSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1F ZINC001592655022 1349700261 /nfs/dbraw/zinc/70/02/61/1349700261.db2.gz PENBLYZPZRBEBZ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1F ZINC001592655022 1349700264 /nfs/dbraw/zinc/70/02/64/1349700264.db2.gz PENBLYZPZRBEBZ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM O=C(C[C@H]1C=CCCC1)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001592812342 1349715957 /nfs/dbraw/zinc/71/59/57/1349715957.db2.gz GGDKHCYLHYMKBL-NSHDSACASA-N -1 1 340.387 2.019 20 0 EEADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592975994 1349731493 /nfs/dbraw/zinc/73/14/93/1349731493.db2.gz ZMKHRBULEBGQNT-MRVPVSSYSA-N -1 1 325.294 2.314 20 0 EEADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592975994 1349731494 /nfs/dbraw/zinc/73/14/94/1349731494.db2.gz ZMKHRBULEBGQNT-MRVPVSSYSA-N -1 1 325.294 2.314 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC001593078664 1349737136 /nfs/dbraw/zinc/73/71/36/1349737136.db2.gz OYPAPMYCBQXDRD-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC001593078664 1349737138 /nfs/dbraw/zinc/73/71/38/1349737138.db2.gz OYPAPMYCBQXDRD-UHFFFAOYSA-N -1 1 342.790 2.278 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC2(CCCC2)C1 ZINC001593137727 1349740033 /nfs/dbraw/zinc/74/00/33/1349740033.db2.gz RLQHVADVMLHVGW-UHFFFAOYSA-N -1 1 332.433 2.404 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1ccsc1 ZINC001593136209 1349740061 /nfs/dbraw/zinc/74/00/61/1349740061.db2.gz CLFMPWDNSYSBQE-WDEREUQCSA-N -1 1 331.426 2.410 20 0 EEADMM O=C(NCc1ccc(Cl)cc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593138296 1349740154 /nfs/dbraw/zinc/74/01/54/1349740154.db2.gz DUFVGLLZWARYAC-UHFFFAOYSA-N -1 1 329.751 2.237 20 0 EEADMM O=C(NCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593138296 1349740158 /nfs/dbraw/zinc/74/01/58/1349740158.db2.gz DUFVGLLZWARYAC-UHFFFAOYSA-N -1 1 329.751 2.237 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001593242939 1349748208 /nfs/dbraw/zinc/74/82/08/1349748208.db2.gz FBMXFQGRJZXMQG-YUMQZZPRSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001593242939 1349748212 /nfs/dbraw/zinc/74/82/12/1349748212.db2.gz FBMXFQGRJZXMQG-YUMQZZPRSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc2c1CCO2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593249208 1349750532 /nfs/dbraw/zinc/75/05/32/1349750532.db2.gz HXSVDMQATMYGPI-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM O=C(Nc1cccc2c1CCO2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593249208 1349750533 /nfs/dbraw/zinc/75/05/33/1349750533.db2.gz HXSVDMQATMYGPI-UHFFFAOYSA-N -1 1 343.293 2.332 20 0 EEADMM O=C(Nc1cccnc1N1CCCCC1)c1coc(-c2nnn[n-]2)c1 ZINC001593254501 1349752054 /nfs/dbraw/zinc/75/20/54/1349752054.db2.gz NDGNOUHWULHLNE-UHFFFAOYSA-N -1 1 339.359 2.097 20 0 EEADMM O=C(Nc1cccnc1N1CCCCC1)c1coc(-c2nn[n-]n2)c1 ZINC001593254501 1349752058 /nfs/dbraw/zinc/75/20/58/1349752058.db2.gz NDGNOUHWULHLNE-UHFFFAOYSA-N -1 1 339.359 2.097 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc2c(c1)-c1ccccc1C2 ZINC001593261553 1349753878 /nfs/dbraw/zinc/75/38/78/1349753878.db2.gz WHZJEYQFMUYHOI-UHFFFAOYSA-N -1 1 343.350 2.413 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001593259504 1349754300 /nfs/dbraw/zinc/75/43/00/1349754300.db2.gz BFGIDDDOVDDFBS-KBPBESRZSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593267446 1349756312 /nfs/dbraw/zinc/75/63/12/1349756312.db2.gz FOQXXJBAGFHNGI-PHDIDXHHSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593267446 1349756317 /nfs/dbraw/zinc/75/63/17/1349756317.db2.gz FOQXXJBAGFHNGI-PHDIDXHHSA-N -1 1 332.311 2.240 20 0 EEADMM O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1csc(-c2nn[n-]n2)c1 ZINC001593307835 1349776617 /nfs/dbraw/zinc/77/66/17/1349776617.db2.gz ODLYRGSXSCIRCF-GHMZBOCLSA-N -1 1 330.373 2.075 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCCC(F)(F)C1 ZINC001593329682 1349782519 /nfs/dbraw/zinc/78/25/19/1349782519.db2.gz RKJYRWJYTVKRPJ-UHFFFAOYSA-N -1 1 329.257 2.016 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCCC(F)(F)C1 ZINC001593329682 1349782524 /nfs/dbraw/zinc/78/25/24/1349782524.db2.gz RKJYRWJYTVKRPJ-UHFFFAOYSA-N -1 1 329.257 2.016 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2ccncc2)C1 ZINC001593338067 1349783243 /nfs/dbraw/zinc/78/32/43/1349783243.db2.gz JFFFUGOHLSKXDZ-LBPRGKRZSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2ccncc2)C1 ZINC001593338067 1349783247 /nfs/dbraw/zinc/78/32/47/1349783247.db2.gz JFFFUGOHLSKXDZ-LBPRGKRZSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001593337995 1349783384 /nfs/dbraw/zinc/78/33/84/1349783384.db2.gz DILODCAVUPLDIN-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001593337995 1349783385 /nfs/dbraw/zinc/78/33/85/1349783385.db2.gz DILODCAVUPLDIN-NEPJUHHUSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c1cccc2F ZINC001593350377 1349788790 /nfs/dbraw/zinc/78/87/90/1349788790.db2.gz MUVIGARJNHUXHP-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c1cccc2F ZINC001593350377 1349788793 /nfs/dbraw/zinc/78/87/93/1349788793.db2.gz MUVIGARJNHUXHP-UHFFFAOYSA-N -1 1 327.294 2.348 20 0 EEADMM c1c(NC[C@@H]2CCC3(CCC3)CO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543095 1349838868 /nfs/dbraw/zinc/83/88/68/1349838868.db2.gz BFAAUSKXRRBEMD-LBPRGKRZSA-N -1 1 341.419 2.295 20 0 EEADMM c1c(NC[C@@H]2CCC3(CCC3)CO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543095 1349838872 /nfs/dbraw/zinc/83/88/72/1349838872.db2.gz BFAAUSKXRRBEMD-LBPRGKRZSA-N -1 1 341.419 2.295 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CN1CCn2nc(C3CC3)cc2C1 ZINC001593550898 1349844816 /nfs/dbraw/zinc/84/48/16/1349844816.db2.gz DHEYTULRRRZBOR-UHFFFAOYSA-N -1 1 327.417 2.018 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cnc(-c4nnn[n-]4)cn3)CC1)O2 ZINC001593580951 1349861875 /nfs/dbraw/zinc/86/18/75/1349861875.db2.gz HZHGFQPVMIMXSW-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cnc(-c4nn[n-]n4)cn3)CC1)O2 ZINC001593580951 1349861878 /nfs/dbraw/zinc/86/18/78/1349861878.db2.gz HZHGFQPVMIMXSW-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1cnc(CNc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)nc1 ZINC001593584066 1349864435 /nfs/dbraw/zinc/86/44/35/1349864435.db2.gz UQZQQTMPLYHHTE-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1cnc(CNc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)nc1 ZINC001593584066 1349864437 /nfs/dbraw/zinc/86/44/37/1349864437.db2.gz UQZQQTMPLYHHTE-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1cncc(-c2cccc(CNc3cnc(-c4nnn[n-]4)cn3)c2)c1 ZINC001593588118 1349867118 /nfs/dbraw/zinc/86/71/18/1349867118.db2.gz VXTBLPHMGZYGKM-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1cncc(-c2cccc(CNc3cnc(-c4nn[n-]n4)cn3)c2)c1 ZINC001593588118 1349867122 /nfs/dbraw/zinc/86/71/22/1349867122.db2.gz VXTBLPHMGZYGKM-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM COC(=O)[C@@]1(C)CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001598718686 1349941646 /nfs/dbraw/zinc/94/16/46/1349941646.db2.gz LJEIACMZSVVJGS-WFASDCNBSA-N -1 1 329.755 2.490 20 0 EEADMM Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@](C)(C(=O)[O-])C3)c2C)no1 ZINC001600062928 1349963960 /nfs/dbraw/zinc/96/39/60/1349963960.db2.gz WNIZEONVVKHQDV-GOSISDBHSA-N -1 1 345.399 2.370 20 0 EEADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@H]3C[C@H]3C(=O)[O-])[nH]c2c1 ZINC001600488706 1350063961 /nfs/dbraw/zinc/06/39/61/1350063961.db2.gz FAKRKCASNULTPJ-JMSVASOKSA-N -1 1 342.399 2.439 20 0 EEADMM Cc1cccc(C2=CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1 ZINC001600525146 1350072881 /nfs/dbraw/zinc/07/28/81/1350072881.db2.gz FSZCKWIIIBMPQM-QGZVFWFLSA-N -1 1 328.412 2.160 20 0 EEADMM Cc1cccc2c(=O)c(C(=O)NCc3ccc(C(=O)[O-])cc3)c[nH]c12 ZINC001600555170 1350080844 /nfs/dbraw/zinc/08/08/44/1350080844.db2.gz VKXDEXSKPRYZRE-UHFFFAOYSA-N -1 1 336.347 2.465 20 0 EEADMM Cc1cccc2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])sc21 ZINC001600558937 1350082282 /nfs/dbraw/zinc/08/22/82/1350082282.db2.gz VFZSDMSYUPJTDW-GFCCVEGCSA-N -1 1 329.381 2.359 20 0 EEADMM Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC001601005310 1350187341 /nfs/dbraw/zinc/18/73/41/1350187341.db2.gz YOWISMAJPVTVBO-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC001601303214 1350253062 /nfs/dbraw/zinc/25/30/62/1350253062.db2.gz NVGSRSARYQKCQA-UGFHNGPFSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])C1(CNC(=O)Nc2cnn(-c3ccncc3)c2)CCCCC1 ZINC001601472019 1350291124 /nfs/dbraw/zinc/29/11/24/1350291124.db2.gz NSFKSKPQNOCDQA-UHFFFAOYSA-N -1 1 343.387 2.424 20 0 EEADMM O=C([O-])c1cc(CN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c[nH]1 ZINC001601606860 1350318417 /nfs/dbraw/zinc/31/84/17/1350318417.db2.gz MHINAKWRUPUHFA-CQSZACIVSA-N -1 1 346.362 2.248 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cccc(COc2ccccc2)c1 ZINC001601772913 1350361201 /nfs/dbraw/zinc/36/12/01/1350361201.db2.gz NSUPOTUSHMIKRQ-AEFFLSMTSA-N -1 1 327.380 2.285 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(Cn1ccc(-c3ccc(F)cn3)n1)CC2 ZINC001601774992 1350362034 /nfs/dbraw/zinc/36/20/34/1350362034.db2.gz XMJQCAMBFVMRRM-ZDUSSCGKSA-N -1 1 330.363 2.228 20 0 EEADMM O=C([O-])C[C@@H]1CCCCN1CN1C[C@H](Cc2ccccc2)OC1=O ZINC001601949627 1350403818 /nfs/dbraw/zinc/40/38/18/1350403818.db2.gz QTCTVFBATDDPFA-HOTGVXAUSA-N -1 1 332.400 2.337 20 0 EEADMM O=C([O-])c1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)c(F)c1 ZINC001602325491 1350494487 /nfs/dbraw/zinc/49/44/87/1350494487.db2.gz ZODVIBAFNCBAJT-UHFFFAOYSA-N -1 1 326.287 2.357 20 0 EEADMM O=C([O-])c1ccc(CCNC(=O)c2cn[nH]c2-c2ccccn2)cc1 ZINC001602334183 1350496274 /nfs/dbraw/zinc/49/62/74/1350496274.db2.gz XAUKUPRBGRHKGV-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCCN(C(=O)[C@H]3CCCN3C3CC3)C2)s1 ZINC001602509010 1350534115 /nfs/dbraw/zinc/53/41/15/1350534115.db2.gz ALOFVTNYIZCUIZ-WCQYABFASA-N -1 1 349.456 2.174 20 0 EEADMM O=C([O-])c1cnc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)cn1 ZINC001602518126 1350536753 /nfs/dbraw/zinc/53/67/53/1350536753.db2.gz AHNHAUMVPVRKIU-SFHVURJKSA-N -1 1 341.411 2.338 20 0 EEADMM C[C@@H](C(=O)OC1CCC2(CCCC2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001603031164 1350624851 /nfs/dbraw/zinc/62/48/51/1350624851.db2.gz BBNZJLOQYHBZGV-NSHDSACASA-N -1 1 345.407 2.065 20 0 EEADMM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1coc([C@@H]2CCCN2)n1)c1ccccc1 ZINC001603189740 1350659453 /nfs/dbraw/zinc/65/94/53/1350659453.db2.gz GJOIABQQPWCPJM-CORIIIEPSA-N -1 1 343.383 2.291 20 0 EEADMM CC(C)C(=O)c1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001603200887 1350661352 /nfs/dbraw/zinc/66/13/52/1350661352.db2.gz OHAQKVVVVRTBTN-UHFFFAOYSA-N -1 1 336.355 2.353 20 0 EEADMM CC(C)C(=O)c1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001603200887 1350661356 /nfs/dbraw/zinc/66/13/56/1350661356.db2.gz OHAQKVVVVRTBTN-UHFFFAOYSA-N -1 1 336.355 2.353 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3[nH]c(CO)nc32)C1 ZINC001603252381 1350672151 /nfs/dbraw/zinc/67/21/51/1350672151.db2.gz BLBMZZUIFAZLHH-LLVKDONJSA-N -1 1 345.399 2.018 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001603263480 1350674982 /nfs/dbraw/zinc/67/49/82/1350674982.db2.gz NPPQZKCZDXLMBK-LBPRGKRZSA-N -1 1 332.408 2.066 20 0 EEADMM CC(C)C[C@H](C)OCCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001603263480 1350674985 /nfs/dbraw/zinc/67/49/85/1350674985.db2.gz NPPQZKCZDXLMBK-LBPRGKRZSA-N -1 1 332.408 2.066 20 0 EEADMM C[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)c1ncc(Cl)n1C ZINC001603704652 1350746288 /nfs/dbraw/zinc/74/62/88/1350746288.db2.gz FTHSZUCAVKFTFH-ZCFIWIBFSA-N -1 1 338.780 2.233 20 0 EEADMM C[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)c1ncc(Cl)n1C ZINC001603704652 1350746291 /nfs/dbraw/zinc/74/62/91/1350746291.db2.gz FTHSZUCAVKFTFH-ZCFIWIBFSA-N -1 1 338.780 2.233 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603755469 1350759320 /nfs/dbraw/zinc/75/93/20/1350759320.db2.gz YTKOTQBWUUYPCY-UHFFFAOYSA-N -1 1 329.408 2.478 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001603765954 1350761457 /nfs/dbraw/zinc/76/14/57/1350761457.db2.gz DOQWKGGDHWNBIX-LLVKDONJSA-N -1 1 326.404 2.367 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001603765954 1350761458 /nfs/dbraw/zinc/76/14/58/1350761458.db2.gz DOQWKGGDHWNBIX-LLVKDONJSA-N -1 1 326.404 2.367 20 0 EEADMM CC1(C)CC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001603772394 1350762848 /nfs/dbraw/zinc/76/28/48/1350762848.db2.gz PRUBBUIVELGLDM-SECBINFHSA-N -1 1 340.309 2.199 20 0 EEADMM CC(C)C[C@@H]1CCCCN1CN1C(=O)N[C@@](C)(CCC(=O)[O-])C1=O ZINC001603785101 1350767279 /nfs/dbraw/zinc/76/72/79/1350767279.db2.gz VFVXKSKAUSDEIH-GUYCJALGSA-N -1 1 339.436 2.020 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1[C@H]1CCCO1 ZINC001603788689 1350768050 /nfs/dbraw/zinc/76/80/50/1350768050.db2.gz APNCVPNIARLSQF-VXNVDRBHSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1[C@H]1CCCO1 ZINC001603788689 1350768055 /nfs/dbraw/zinc/76/80/55/1350768055.db2.gz APNCVPNIARLSQF-VXNVDRBHSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@]1(Cc2cccc(F)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001603810668 1350774437 /nfs/dbraw/zinc/77/44/37/1350774437.db2.gz VSLISRJNFRVUHR-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(Cc2cccc(F)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001603810668 1350774442 /nfs/dbraw/zinc/77/44/42/1350774442.db2.gz VSLISRJNFRVUHR-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C[C@@H](C)S1 ZINC001603927736 1350803343 /nfs/dbraw/zinc/80/33/43/1350803343.db2.gz CAHAYIQWNZOKOJ-HTQZYQBOSA-N -1 1 339.371 2.111 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C[C@@H](C)S1 ZINC001603927736 1350803347 /nfs/dbraw/zinc/80/33/47/1350803347.db2.gz CAHAYIQWNZOKOJ-HTQZYQBOSA-N -1 1 339.371 2.111 20 0 EEADMM CC(C)OC[C@H](N)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001603926106 1350803424 /nfs/dbraw/zinc/80/34/24/1350803424.db2.gz WWNVWTYGBXCFPJ-JTQLQIEISA-N -1 1 341.433 2.190 20 0 EEADMM C/C=C(\C)C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001603960430 1350814251 /nfs/dbraw/zinc/81/42/51/1350814251.db2.gz AGVXMSTXLYNCHQ-RUDMXATFSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@@H](C)N(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001604003847 1350827103 /nfs/dbraw/zinc/82/71/03/1350827103.db2.gz LTFTWZQKWKATLB-SSDOTTSWSA-N -1 1 328.298 2.151 20 0 EEADMM CC(C)c1ccccc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604010186 1350829306 /nfs/dbraw/zinc/82/93/06/1350829306.db2.gz WMGREXRGYMJHCY-OAHLLOKOSA-N -1 1 347.459 2.229 20 0 EEADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001604156143 1350877626 /nfs/dbraw/zinc/87/76/26/1350877626.db2.gz QSNGOOSHYIFRRT-OLZOCXBDSA-N -1 1 346.435 2.428 20 0 EEADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001604156143 1350877628 /nfs/dbraw/zinc/87/76/28/1350877628.db2.gz QSNGOOSHYIFRRT-OLZOCXBDSA-N -1 1 346.435 2.428 20 0 EEADMM CCCCS[C@H](C)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001604190130 1350889248 /nfs/dbraw/zinc/88/92/48/1350889248.db2.gz NGTUIILZKVHJMR-MRVPVSSYSA-N -1 1 327.435 2.288 20 0 EEADMM CCCCS[C@H](C)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001604190130 1350889253 /nfs/dbraw/zinc/88/92/53/1350889253.db2.gz NGTUIILZKVHJMR-MRVPVSSYSA-N -1 1 327.435 2.288 20 0 EEADMM C[C@H](NC(=O)c1cncc2nc[nH]c21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604316631 1350914144 /nfs/dbraw/zinc/91/41/44/1350914144.db2.gz PSRMIYUPWUMALM-WCQYABFASA-N -1 1 338.367 2.020 20 0 EEADMM CCOC(=O)N[C@@H](CNc1nc(-c2nn[n-]n2)ccc1C)CC(C)C ZINC001604377946 1350926295 /nfs/dbraw/zinc/92/62/95/1350926295.db2.gz DBUVKPDHPNIXDM-GFCCVEGCSA-N -1 1 347.423 2.143 20 0 EEADMM CCOc1cc(F)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604449294 1350940257 /nfs/dbraw/zinc/94/02/57/1350940257.db2.gz PJFUZHHZCAQZKW-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCOc1cc(F)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604449294 1350940260 /nfs/dbraw/zinc/94/02/60/1350940260.db2.gz PJFUZHHZCAQZKW-UHFFFAOYSA-N -1 1 328.307 2.052 20 0 EEADMM CCc1ccccc1Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC001604533922 1350956435 /nfs/dbraw/zinc/95/64/35/1350956435.db2.gz ZVODLCMBYTVXSS-UHFFFAOYSA-N -1 1 338.415 2.159 20 0 EEADMM CCc1nc(NCCCCOc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001604564122 1350961415 /nfs/dbraw/zinc/96/14/15/1350961415.db2.gz KHVSRJJBKHRMID-UHFFFAOYSA-N -1 1 339.403 2.490 20 0 EEADMM CCc1nc(NCCCCOc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001604564122 1350961417 /nfs/dbraw/zinc/96/14/17/1350961417.db2.gz KHVSRJJBKHRMID-UHFFFAOYSA-N -1 1 339.403 2.490 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001604766652 1350999016 /nfs/dbraw/zinc/99/90/16/1350999016.db2.gz KHIAPYFSFDRPGQ-PSLIRLAXSA-N -1 1 331.347 2.229 20 0 EEADMM CC[C@@](C)(NCC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC001604913131 1351031023 /nfs/dbraw/zinc/03/10/23/1351031023.db2.gz PXPRBEDKCBDFHP-GOSISDBHSA-N -1 1 332.444 2.458 20 0 EEADMM COCC[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC001605079914 1351074077 /nfs/dbraw/zinc/07/40/77/1351074077.db2.gz SBCCZJLPHMEHIZ-GFCCVEGCSA-N -1 1 345.334 2.106 20 0 EEADMM COCC[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC001605079914 1351074080 /nfs/dbraw/zinc/07/40/80/1351074080.db2.gz SBCCZJLPHMEHIZ-GFCCVEGCSA-N -1 1 345.334 2.106 20 0 EEADMM CC[C@H]1[C@H](CO)CCN1Cc1oc(Br)cc1C(=O)[O-] ZINC001605151839 1351088543 /nfs/dbraw/zinc/08/85/43/1351088543.db2.gz PBZAFPFGEPRPEE-WPRPVWTQSA-N -1 1 332.194 2.333 20 0 EEADMM CC[C@@H]1CN(C)CCN1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001605174098 1351095271 /nfs/dbraw/zinc/09/52/71/1351095271.db2.gz SIIZOTAFCJXGNL-GFCCVEGCSA-N -1 1 339.461 2.028 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001605271438 1351121278 /nfs/dbraw/zinc/12/12/78/1351121278.db2.gz LDXIBQLBDMSHJS-LLVKDONJSA-N -1 1 339.403 2.407 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001605271438 1351121280 /nfs/dbraw/zinc/12/12/80/1351121280.db2.gz LDXIBQLBDMSHJS-LLVKDONJSA-N -1 1 339.403 2.407 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001605448230 1351159567 /nfs/dbraw/zinc/15/95/67/1351159567.db2.gz SLWMUHLSYVYXBK-ZUZCIYMTSA-N -1 1 326.385 2.240 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001605448230 1351159569 /nfs/dbraw/zinc/15/95/69/1351159569.db2.gz SLWMUHLSYVYXBK-ZUZCIYMTSA-N -1 1 326.385 2.240 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2sccc2C2CC2)nn1C ZINC001605468283 1351163869 /nfs/dbraw/zinc/16/38/69/1351163869.db2.gz QDVYJKPTVSVGRD-UHFFFAOYSA-N -1 1 329.389 2.100 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2sccc2C2CC2)nn1C ZINC001605468283 1351163872 /nfs/dbraw/zinc/16/38/72/1351163872.db2.gz QDVYJKPTVSVGRD-UHFFFAOYSA-N -1 1 329.389 2.100 20 0 EEADMM Cc1c(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cnc2ccccc12 ZINC001605472008 1351164662 /nfs/dbraw/zinc/16/46/62/1351164662.db2.gz BEAYCHGDYFCELC-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1c(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cnc2ccccc12 ZINC001605472008 1351164665 /nfs/dbraw/zinc/16/46/65/1351164665.db2.gz BEAYCHGDYFCELC-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cccc2[nH]ccc21 ZINC001605510873 1351174506 /nfs/dbraw/zinc/17/45/06/1351174506.db2.gz LZNGMJIZMRDNTG-UHFFFAOYSA-N -1 1 335.327 2.009 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2OCCc3ccccc32)c1 ZINC001605557525 1351190233 /nfs/dbraw/zinc/19/02/33/1351190233.db2.gz RVMZHUORCUDDMF-MRXNPFEDSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2OCCc3ccccc32)c1 ZINC001605557525 1351190236 /nfs/dbraw/zinc/19/02/36/1351190236.db2.gz RVMZHUORCUDDMF-MRXNPFEDSA-N -1 1 336.399 2.320 20 0 EEADMM Cc1cc(CNc2ncncc2-c2nn[n-]n2)ccc1Br ZINC001605661720 1351212930 /nfs/dbraw/zinc/21/29/30/1351212930.db2.gz IVIGRNWIKUJBHA-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1ccc(N2CCC[C@H](Cc3nccs3)C2)c(-c2nnn[n-]2)n1 ZINC001605864575 1351240348 /nfs/dbraw/zinc/24/03/48/1351240348.db2.gz IPVAKJQWLLIXMT-GFCCVEGCSA-N -1 1 341.444 2.486 20 0 EEADMM Cc1ccc(N2CCC[C@H](Cc3nccs3)C2)c(-c2nn[n-]n2)n1 ZINC001605864575 1351240351 /nfs/dbraw/zinc/24/03/51/1351240351.db2.gz IPVAKJQWLLIXMT-GFCCVEGCSA-N -1 1 341.444 2.486 20 0 EEADMM CCc1oc(CNCc2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] ZINC001605890732 1351248036 /nfs/dbraw/zinc/24/80/36/1351248036.db2.gz PGNQLEGHLUDIGO-UHFFFAOYSA-N -1 1 343.383 2.360 20 0 EEADMM CCn1ncc(C)c1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001605940766 1351257052 /nfs/dbraw/zinc/25/70/52/1351257052.db2.gz FVTMJQDGJHXKAJ-TWGQIWQCSA-N -1 1 335.385 2.110 20 0 EEADMM Cc1[nH]nc(NCc2nc3c(s2)C[C@@H](C)CC3)c1-c1nnn[n-]1 ZINC001606014020 1351263870 /nfs/dbraw/zinc/26/38/70/1351263870.db2.gz MHFHYKIXQJFKNO-ZETCQYMHSA-N -1 1 330.421 2.092 20 0 EEADMM Cc1[nH]nc(NCc2nc3c(s2)C[C@@H](C)CC3)c1-c1nn[n-]n1 ZINC001606014020 1351263873 /nfs/dbraw/zinc/26/38/73/1351263873.db2.gz MHFHYKIXQJFKNO-ZETCQYMHSA-N -1 1 330.421 2.092 20 0 EEADMM Cc1nc2cc(C(=O)Nc3snc(C)c3-c3nnn[n-]3)ccc2o1 ZINC001606084838 1351268450 /nfs/dbraw/zinc/26/84/50/1351268450.db2.gz YFAHQODDASOCCE-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM Cc1nc2cc(C(=O)Nc3snc(C)c3-c3nn[n-]n3)ccc2o1 ZINC001606084838 1351268452 /nfs/dbraw/zinc/26/84/52/1351268452.db2.gz YFAHQODDASOCCE-UHFFFAOYSA-N -1 1 341.356 2.334 20 0 EEADMM CN(Cc1cn(Cc2nc(C(=O)[O-])cs2)nn1)C1CCCCC1 ZINC001606173335 1351281629 /nfs/dbraw/zinc/28/16/29/1351281629.db2.gz SITVIRJZMLRVJO-UHFFFAOYSA-N -1 1 335.433 2.246 20 0 EEADMM O=C(CCC1CCC1)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001606508659 1351313340 /nfs/dbraw/zinc/31/33/40/1351313340.db2.gz BVQXCSRRWQJWFY-UHFFFAOYSA-N -1 1 346.460 2.157 20 0 EEADMM O=C(CCCCCc1cccs1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606512318 1351314008 /nfs/dbraw/zinc/31/40/08/1351314008.db2.gz FYLUVESCRFPGEU-UHFFFAOYSA-N -1 1 331.405 2.393 20 0 EEADMM O=C(CCCCCc1cccs1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606512318 1351314010 /nfs/dbraw/zinc/31/40/10/1351314010.db2.gz FYLUVESCRFPGEU-UHFFFAOYSA-N -1 1 331.405 2.393 20 0 EEADMM COC(=O)c1cc(CN2CCCC[C@]23CCOC3)cc(C(=O)[O-])c1 ZINC001606541497 1351319492 /nfs/dbraw/zinc/31/94/92/1351319492.db2.gz BCMHVVDMGXWJEA-GOSISDBHSA-N -1 1 333.384 2.316 20 0 EEADMM COC(=O)c1ccoc1CN[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001606622662 1351333425 /nfs/dbraw/zinc/33/34/25/1351333425.db2.gz ZSQMIBGEBNKPAS-IUODEOHRSA-N -1 1 331.368 2.488 20 0 EEADMM COC(=O)c1cnc(CN[C@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC001606624363 1351333757 /nfs/dbraw/zinc/33/37/57/1351333757.db2.gz HVCKPRJTERFYJD-LBPRGKRZSA-N -1 1 334.397 2.105 20 0 EEADMM O=C(NC[C@@H](O)c1cccc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001606705073 1351344254 /nfs/dbraw/zinc/34/42/54/1351344254.db2.gz ORSIGAWMIXCBDS-OAHLLOKOSA-N -1 1 349.350 2.076 20 0 EEADMM O=C(NC[C@@H](O)c1cccc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001606705073 1351344259 /nfs/dbraw/zinc/34/42/59/1351344259.db2.gz ORSIGAWMIXCBDS-OAHLLOKOSA-N -1 1 349.350 2.076 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC001606745119 1351350846 /nfs/dbraw/zinc/35/08/46/1351350846.db2.gz BIFFDNAVFSIMFG-GFCCVEGCSA-N -1 1 337.358 2.466 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC001606745119 1351350850 /nfs/dbraw/zinc/35/08/50/1351350850.db2.gz BIFFDNAVFSIMFG-GFCCVEGCSA-N -1 1 337.358 2.466 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1scnc1C(F)F ZINC001606898005 1351371664 /nfs/dbraw/zinc/37/16/64/1351371664.db2.gz ZHBQBCLAWVNYEZ-UHFFFAOYSA-N -1 1 338.299 2.219 20 0 EEADMM O=C(Nc1cc2cc[nH]c2cn1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606902397 1351373092 /nfs/dbraw/zinc/37/30/92/1351373092.db2.gz NAUHGVZSRIAZOQ-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(Nc1cc2cc[nH]c2cn1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606902397 1351373096 /nfs/dbraw/zinc/37/30/96/1351373096.db2.gz NAUHGVZSRIAZOQ-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606902984 1351373113 /nfs/dbraw/zinc/37/31/13/1351373113.db2.gz BIARVTALSBVNJI-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cc(Cl)nc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606902984 1351373118 /nfs/dbraw/zinc/37/31/18/1351373118.db2.gz BIARVTALSBVNJI-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ccccc1OCC(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001606940360 1351380802 /nfs/dbraw/zinc/38/08/02/1351380802.db2.gz VHNPZLMSVUWTOQ-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM O=C(Nc1ccccc1OCC(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001606940360 1351380804 /nfs/dbraw/zinc/38/08/04/1351380804.db2.gz VHNPZLMSVUWTOQ-UHFFFAOYSA-N -1 1 346.297 2.158 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001606945501 1351381847 /nfs/dbraw/zinc/38/18/47/1351381847.db2.gz GQGWGDHGXTVGOD-OLZOCXBDSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCc2ccccc2C1 ZINC001606985385 1351393184 /nfs/dbraw/zinc/39/31/84/1351393184.db2.gz NALZGTNUHCXEQU-GFCCVEGCSA-N -1 1 341.396 2.172 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCc2ccccc2C1 ZINC001606985385 1351393186 /nfs/dbraw/zinc/39/31/86/1351393186.db2.gz NALZGTNUHCXEQU-GFCCVEGCSA-N -1 1 341.396 2.172 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1coc(-c2nnn[n-]2)c1 ZINC001606990736 1351394179 /nfs/dbraw/zinc/39/41/79/1351394179.db2.gz RFJHRXLFSSZOMD-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(Oc1cccc(Br)c1)c1coc(-c2nn[n-]n2)c1 ZINC001606990736 1351394181 /nfs/dbraw/zinc/39/41/81/1351394181.db2.gz RFJHRXLFSSZOMD-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM CON1CCC(N(C)CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001606994657 1351394424 /nfs/dbraw/zinc/39/44/24/1351394424.db2.gz PUADIEVHWSFGEL-UHFFFAOYSA-N -1 1 345.399 2.006 20 0 EEADMM CO[C@@H]1CCOC[C@H]1NCc1cc(C(=O)[O-])ccc1Br ZINC001606999268 1351395199 /nfs/dbraw/zinc/39/51/99/1351395199.db2.gz RITYTNYISSQLQC-CHWSQXEVSA-N -1 1 344.205 2.041 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC001607030556 1351400967 /nfs/dbraw/zinc/40/09/67/1351400967.db2.gz IICJBEGGKXNEIH-ZDUSSCGKSA-N -1 1 325.328 2.143 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC001607030556 1351400968 /nfs/dbraw/zinc/40/09/68/1351400968.db2.gz IICJBEGGKXNEIH-ZDUSSCGKSA-N -1 1 325.328 2.143 20 0 EEADMM O=Cc1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1Br ZINC001607056265 1351405410 /nfs/dbraw/zinc/40/54/10/1351405410.db2.gz AIXUYZHQIWXWBQ-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2cncc(-c3nnn[n-]3)n2)c1 ZINC001607125030 1351428846 /nfs/dbraw/zinc/42/88/46/1351428846.db2.gz HAEVQZOPDDMMEO-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1cc(Oc2cnccn2)cc(Oc2cncc(-c3nn[n-]n3)n2)c1 ZINC001607125030 1351428849 /nfs/dbraw/zinc/42/88/49/1351428849.db2.gz HAEVQZOPDDMMEO-UHFFFAOYSA-N -1 1 334.299 2.031 20 0 EEADMM c1oc(-c2ccccc2)nc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001607124557 1351429098 /nfs/dbraw/zinc/42/90/98/1351429098.db2.gz RFBKNMVEZIGHOV-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM c1oc(-c2ccccc2)nc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001607124557 1351429100 /nfs/dbraw/zinc/42/91/00/1351429100.db2.gz RFBKNMVEZIGHOV-UHFFFAOYSA-N -1 1 339.384 2.268 20 0 EEADMM c1ccc([C@H]2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001607128225 1351431341 /nfs/dbraw/zinc/43/13/41/1351431341.db2.gz BNJZIUZARWOYSE-LSDHHAIUSA-N -1 1 335.415 2.465 20 0 EEADMM Cc1[nH]c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)c1C(=O)[O-] ZINC001607491168 1351503572 /nfs/dbraw/zinc/50/35/72/1351503572.db2.gz QSKQAACJQAVAEN-CYBMUJFWSA-N -1 1 345.399 2.490 20 0 EEADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1c2c(nn1C)CCCC2 ZINC001607517825 1351509593 /nfs/dbraw/zinc/50/95/93/1351509593.db2.gz KKCGALQTOLKYDP-UHFFFAOYSA-N -1 1 349.412 2.106 20 0 EEADMM Cc1cc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)o1 ZINC001607609591 1351524290 /nfs/dbraw/zinc/52/42/90/1351524290.db2.gz OYORSQMPVQWNBR-AAEUAGOBSA-N -1 1 337.420 2.148 20 0 EEADMM Cc1cc(C)n(CCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001607630736 1351529028 /nfs/dbraw/zinc/52/90/28/1351529028.db2.gz VYPHBLLNSARFEP-UHFFFAOYSA-N -1 1 327.344 2.103 20 0 EEADMM Cc1cc(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)n[nH]1 ZINC001607643124 1351531817 /nfs/dbraw/zinc/53/18/17/1351531817.db2.gz KAKGYAOCGANQFJ-AWEZNQCLSA-N -1 1 342.399 2.336 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2N)c(C)s1 ZINC001607707783 1351543496 /nfs/dbraw/zinc/54/34/96/1351543496.db2.gz DFJWAJSPBLEOFC-UHFFFAOYSA-N -1 1 326.399 2.446 20 0 EEADMM Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001608092418 1351623675 /nfs/dbraw/zinc/62/36/75/1351623675.db2.gz SHZQEPYJHIHXES-JOZWUWCOSA-N -1 1 328.368 2.243 20 0 EEADMM N[C@H](Cc1ccccc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001608266502 1351658744 /nfs/dbraw/zinc/65/87/44/1351658744.db2.gz WUDUZELIILPGPV-CYBMUJFWSA-N -1 1 333.413 2.059 20 0 EEADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(F)c([O-])c3)cc2)n1 ZINC001631937590 1352591017 /nfs/dbraw/zinc/59/10/17/1352591017.db2.gz SLGDAZPHFKEDOC-UHFFFAOYSA-N -1 1 340.314 2.068 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1(Oc2ccccc2)CC1 ZINC001642557830 1352733598 /nfs/dbraw/zinc/73/35/98/1352733598.db2.gz IDLBJROXSARTDD-HNNXBMFYSA-N -1 1 335.367 2.017 20 0 EEADMM COC(=O)c1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000059778822 1352763203 /nfs/dbraw/zinc/76/32/03/1352763203.db2.gz ASNONIXALUOKFR-UHFFFAOYSA-N -1 1 349.364 2.281 20 0 EEADMM CCc1ncsc1NC(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC001649258963 1353443889 /nfs/dbraw/zinc/44/38/89/1353443889.db2.gz LWWHBCSJRYUIEN-UHFFFAOYSA-N -1 1 325.419 2.245 20 0 EEADMM Cc1c(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)n[nH]c1C(F)(F)F ZINC001650503161 1353957783 /nfs/dbraw/zinc/95/77/83/1353957783.db2.gz OXSUSXDYHLRROJ-ZDUSSCGKSA-N -1 1 333.310 2.310 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3cc(F)ncn3)c2)n1 ZINC001651024864 1354036810 /nfs/dbraw/zinc/03/68/10/1354036810.db2.gz KNCCQPPMZARLSW-UHFFFAOYSA-N -1 1 342.334 2.190 20 0 EEADMM COc1cccnc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001654506181 1354150175 /nfs/dbraw/zinc/15/01/75/1354150175.db2.gz DKSYUOKOQJVENV-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc4ncoc4c3)ccc21 ZINC000074838438 1354368903 /nfs/dbraw/zinc/36/89/03/1354368903.db2.gz OWRBOCGOAZZTJR-UHFFFAOYSA-N -1 1 343.364 2.148 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1ccccc1 ZINC000078467730 1354807917 /nfs/dbraw/zinc/80/79/17/1354807917.db2.gz XYBOWKUHYSLKNT-OAHLLOKOSA-N -1 1 337.372 2.159 20 0 EEADMM Cc1cc(C(=O)NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])co1 ZINC001388515638 1387519698 /nfs/dbraw/zinc/51/96/98/1387519698.db2.gz CKWSXOQENDKIMS-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM C[C@@H]1CC[C@H](CC(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])C1 ZINC001388993637 1387868709 /nfs/dbraw/zinc/86/87/09/1387868709.db2.gz XDLFNICMJGTCEU-KGLIPLIRSA-N -1 1 333.432 2.144 20 0 EEADMM CC1(C)COc2cc(NC(=O)c3ncc(C(F)(F)F)[n-]3)nn2C1 ZINC001188281549 1368293450 /nfs/dbraw/zinc/29/34/50/1368293450.db2.gz XFJWENAOIHFTIO-UHFFFAOYSA-N -1 1 329.282 2.296 20 0 EEADMM CC1(C)COc2cc(NC(=O)c3nc(C(F)(F)F)c[n-]3)nn2C1 ZINC001188281549 1368293455 /nfs/dbraw/zinc/29/34/55/1368293455.db2.gz XFJWENAOIHFTIO-UHFFFAOYSA-N -1 1 329.282 2.296 20 0 EEADMM O=S(=O)(CC1CC1)[N-][C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001189007982 1368339203 /nfs/dbraw/zinc/33/92/03/1368339203.db2.gz VUAFKOSFRKFOSC-OAHLLOKOSA-N -1 1 344.427 2.226 20 0 EEADMM CCc1nsc(NC[C@H]2CC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001069461885 1370134322 /nfs/dbraw/zinc/13/43/22/1370134322.db2.gz UTXOZXVZUDGJON-WDEREUQCSA-N -1 1 347.444 2.212 20 0 EEADMM CCC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001389359758 1388072015 /nfs/dbraw/zinc/07/20/15/1388072015.db2.gz VOOZOFDAXKDCBP-QWHCGFSZSA-N -1 1 337.468 2.196 20 0 EEADMM CCC[C@H](C)N1C[C@@H](C(=O)[N-]OCc2ccccc2OC)CC1=O ZINC000799090518 1371628029 /nfs/dbraw/zinc/62/80/29/1371628029.db2.gz ONRHIVLXAHLVFK-ZFWWWQNUSA-N -1 1 334.416 2.280 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001123788461 1372185169 /nfs/dbraw/zinc/18/51/69/1372185169.db2.gz FSDXNKMSSRNSSY-VHSXEESVSA-N -1 1 325.434 2.101 20 0 EEADMM C[C@@H]1c2ccccc2CN1CCCN1C(=O)CS/C1=C/C(=O)[O-] ZINC000828528187 1372245952 /nfs/dbraw/zinc/24/59/52/1372245952.db2.gz RUXSMQDDQSRFLG-GFQQVXNGSA-N -1 1 332.425 2.455 20 0 EEADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(OC4CC4)cc3)cn2n1 ZINC000829864490 1372294844 /nfs/dbraw/zinc/29/48/44/1372294844.db2.gz OOYUTLJMGRLGQF-UHFFFAOYSA-N -1 1 344.396 2.380 20 0 EEADMM CC(C)(C(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccn1 ZINC000830802029 1372351091 /nfs/dbraw/zinc/35/10/91/1372351091.db2.gz PWPNUZBTSNOJAC-HNNXBMFYSA-N -1 1 343.349 2.029 20 0 EEADMM Cc1cc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)ccc1Cl ZINC000831138800 1372367867 /nfs/dbraw/zinc/36/78/67/1372367867.db2.gz AKUJRNPYQFAQPH-UHFFFAOYSA-N -1 1 334.725 2.399 20 0 EEADMM O=C(CCc1cccc(Cl)c1)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831157913 1372369359 /nfs/dbraw/zinc/36/93/59/1372369359.db2.gz DPFLMZSGJCICKA-UHFFFAOYSA-N -1 1 348.752 2.410 20 0 EEADMM O=C(c1ccc(O)cc1)N1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140892116 1372704289 /nfs/dbraw/zinc/70/42/89/1372704289.db2.gz AUOFHJGYFIXKSD-UHFFFAOYSA-N -1 1 348.349 2.334 20 0 EEADMM 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NC(=O)C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC001592730176 1404719616 /nfs/dbraw/zinc/71/96/16/1404719616.db2.gz LWFXEYLFOVEKPO-QMMMGPOBSA-N -1 1 349.807 2.005 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC001606014877 1404754724 /nfs/dbraw/zinc/75/47/24/1404754724.db2.gz RLEBXUUNKHTKBO-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1nsc(N2CCC[C@H](OCC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001606145073 1404767783 /nfs/dbraw/zinc/76/77/83/1404767783.db2.gz UYZHBPTTZSYQDH-QMMMGPOBSA-N -1 1 348.354 2.179 20 0 EEADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001606299245 1404781571 /nfs/dbraw/zinc/78/15/71/1404781571.db2.gz AMXJRTYPOLKELH-FWOIEVBISA-N -1 1 348.766 2.203 20 0 EEADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001606299245 1404781577 /nfs/dbraw/zinc/78/15/77/1404781577.db2.gz AMXJRTYPOLKELH-FWOIEVBISA-N -1 1 348.766 2.203 20 0 EEADMM Fc1cc(Oc2cnc(-c3nnn[n-]3)cn2)ccc1Br ZINC001606313754 1404787928 /nfs/dbraw/zinc/78/79/28/1404787928.db2.gz XDQLIRWYBIGVMW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cc(Oc2cnc(-c3nn[n-]n3)cn2)ccc1Br ZINC001606313754 1404787936 /nfs/dbraw/zinc/78/79/36/1404787936.db2.gz XDQLIRWYBIGVMW-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nnn[n-]3)n1)CCS2 ZINC001606327097 1404792854 /nfs/dbraw/zinc/79/28/54/1404792854.db2.gz WDSLQZJRGLEUPS-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1ccc2c(c1)[C@H](Nc1cncc(-c3nn[n-]n3)n1)CCS2 ZINC001606327097 1404792858 /nfs/dbraw/zinc/79/28/58/1404792858.db2.gz WDSLQZJRGLEUPS-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM CC(C)c1ccc([C@H](NC(=O)COCc2nn[n-]n2)C(C)C)cc1 ZINC001646231063 1404884078 /nfs/dbraw/zinc/88/40/78/1404884078.db2.gz VREIFXAHRMIHAS-QGZVFWFLSA-N -1 1 331.420 2.353 20 0 EEADMM NC(=O)c1ccc([N-]S(=O)(=O)CCC(F)(F)F)cc1Cl ZINC000171333747 1405729425 /nfs/dbraw/zinc/72/94/25/1405729425.db2.gz LTVPSOGXEPSKKD-UHFFFAOYSA-N -1 1 330.715 2.133 20 0 EEADMM CC(C)=C(F)C(=O)NCC(C)(C)CN(C)C(=O)c1ncccc1[O-] ZINC001755990291 1408060202 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C[C@@H](CNc1cccc(F)n1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001104845013 765412691 /nfs/dbraw/zinc/41/26/91/765412691.db2.gz BVZBIRWUWVWZSH-JTQLQIEISA-N -1 1 345.378 2.166 20 0 EEADMM O=S(=O)([N-]Cc1nc2c(s1)CCC2)c1ccc(Cl)nc1F ZINC000920977630 770929773 /nfs/dbraw/zinc/92/97/73/770929773.db2.gz SQPAOFLIPAISDH-UHFFFAOYSA-N -1 1 347.824 2.298 20 0 EEADMM O=C(NC[C@H]1CCCN1C/C(Cl)=C\Cl)c1ncccc1[O-] ZINC001027844205 773431639 /nfs/dbraw/zinc/43/16/39/773431639.db2.gz OEIZOTXQGNTFNM-PFEDMVJOSA-N -1 1 330.215 2.300 20 0 EEADMM CCC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000979943392 773592880 /nfs/dbraw/zinc/59/28/80/773592880.db2.gz VRGWLKNWIIQLMR-BFHYXJOUSA-N -1 1 345.443 2.190 20 0 EEADMM CN(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000068263515 774356493 /nfs/dbraw/zinc/35/64/93/774356493.db2.gz SEBRPKLTYNRNBS-UHFFFAOYSA-N -1 1 349.412 2.082 20 0 EEADMM Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1C ZINC000938755826 774590772 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COc1ccc(F)c(CNC[C@@H](O)COc2ccc(C(=O)[O-])cc2)c1 ZINC001599581126 998533049 /nfs/dbraw/zinc/53/30/49/998533049.db2.gz BBULWZUBUHQNDI-CQSZACIVSA-N -1 1 349.358 2.062 20 0 EEADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])c(Br)c2)[C@H]1CO ZINC001594423779 999583894 /nfs/dbraw/zinc/58/38/94/999583894.db2.gz HPRSNQDQCBIMSD-ZANVPECISA-N -1 1 328.206 2.350 20 0 EEADMM C[C@@H]1CN(C(=O)/C=C/CCc2ccccc2)CCN1CCC(=O)[O-] ZINC001594465766 999684929 /nfs/dbraw/zinc/68/49/29/999684929.db2.gz AZVZPKDIMOLTRT-VGZDNEPHSA-N -1 1 330.428 2.183 20 0 EEADMM C[C@@H]1CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)CCN1CCC(=O)[O-] ZINC001594466483 999688877 /nfs/dbraw/zinc/68/88/77/999688877.db2.gz JUHLWCKLJMETNJ-XJKCOSOUSA-N -1 1 344.402 2.209 20 0 EEADMM CC(=O)NC[C@H](CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)CC(C)C ZINC001436672310 1088117195 /nfs/dbraw/zinc/11/71/95/1088117195.db2.gz ZEOJWMZJXRTWAH-ZDUSSCGKSA-N -1 1 348.447 2.188 20 0 EEADMM CN(CCNC(=O)CCC1CCCCC1)C(=O)c1ncccc1[O-] ZINC001449224078 1094177535 /nfs/dbraw/zinc/17/75/35/1094177535.db2.gz IDGAZCLKAKSUGT-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCC(CC)CC(=O)N1CCCC[C@@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001440991310 1094258210 /nfs/dbraw/zinc/25/82/10/1094258210.db2.gz NVMHGIDGMCRBGI-GXTWGEPZSA-N -1 1 337.468 2.196 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccsc1C ZINC001450902369 1095440776 /nfs/dbraw/zinc/44/07/76/1095440776.db2.gz PVSPQUAOLUHWAZ-NSHDSACASA-N -1 1 333.413 2.096 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])cc1F ZINC001451119585 1095832721 /nfs/dbraw/zinc/83/27/21/1095832721.db2.gz PFLPITJYLPKJKM-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM O=C(CNC(=O)c1ncc2ccccc2c1[O-])Nc1cccc(F)c1 ZINC001442649164 1097016010 /nfs/dbraw/zinc/01/60/10/1097016010.db2.gz QKCJFPIGWXPBHQ-UHFFFAOYSA-N -1 1 339.326 2.448 20 0 EEADMM CC[C@@H](F)C(=O)N[C@H](CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001443047879 1097455766 /nfs/dbraw/zinc/45/57/66/1097455766.db2.gz ACFKPSYUUDBDLJ-CHWSQXEVSA-N -1 1 339.411 2.138 20 0 EEADMM CCC1(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001451763443 1097907310 /nfs/dbraw/zinc/90/73/10/1097907310.db2.gz PKYCDTRZUOZITH-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001443655401 1098153867 /nfs/dbraw/zinc/15/38/67/1098153867.db2.gz PPMNHEZWLLESGC-WFASDCNBSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)Cc1ccsc1)NC(=O)c1ncccc1[O-] ZINC001445150738 1100407974 /nfs/dbraw/zinc/40/79/74/1100407974.db2.gz RXPRBNTYMCROBK-NWDGAFQWSA-N -1 1 347.440 2.105 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001445247791 1100494060 /nfs/dbraw/zinc/49/40/60/1100494060.db2.gz GYYDDWVSZIRICR-LLVKDONJSA-N -1 1 345.399 2.278 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2conc2C)C1 ZINC001493943691 1103166653 /nfs/dbraw/zinc/16/66/53/1103166653.db2.gz FFYQKMDVNDAOFJ-OAHLLOKOSA-N -1 1 344.415 2.210 20 0 EEADMM CCCC[C@H](CNCc1c(C)noc1C)NC(=O)c1[nH]nc(C)c1[O-] ZINC001448278034 1104306902 /nfs/dbraw/zinc/30/69/02/1104306902.db2.gz ZVTBNMVRPNQDLI-CYBMUJFWSA-N -1 1 349.435 2.107 20 0 EEADMM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(F)c([O-])c2)c1 ZINC001448356291 1104451765 /nfs/dbraw/zinc/45/17/65/1104451765.db2.gz LDIQTEQRYWRMBT-UHFFFAOYSA-N -1 1 341.335 2.004 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CCCC1CC1)C(=O)c1ncccc1[O-] ZINC001449450310 1104486717 /nfs/dbraw/zinc/48/67/17/1104486717.db2.gz SEEPUUWFHPMRCC-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)c1cccs1 ZINC001449722263 1104865358 /nfs/dbraw/zinc/86/53/58/1104865358.db2.gz LCABERILFVNETK-UHFFFAOYSA-N -1 1 347.440 2.377 20 0 EEADMM NC(=O)c1ccc(C(=O)Nc2cccc([O-])c2Br)o1 ZINC001449936444 1105065392 /nfs/dbraw/zinc/06/53/92/1105065392.db2.gz JJTBTVKQWQJPNX-UHFFFAOYSA-N -1 1 325.118 2.099 20 0 EEADMM CC[C@@H](C)C(=O)N(CC)[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001452490152 1105515845 /nfs/dbraw/zinc/51/58/45/1105515845.db2.gz WQVWUWYDLRYARR-VXGBXAGGSA-N -1 1 348.447 2.073 20 0 EEADMM C[C@@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)CCCC2CC2)C1 ZINC001453851010 1106530559 /nfs/dbraw/zinc/53/05/59/1106530559.db2.gz DNWPWTXAXJSEPG-GOSISDBHSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)CCCC2CC2)C1 ZINC001453851014 1106530697 /nfs/dbraw/zinc/53/06/97/1106530697.db2.gz DNWPWTXAXJSEPG-SFHVURJKSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1onc(CO)c1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC001453910484 1106576404 /nfs/dbraw/zinc/57/64/04/1106576404.db2.gz UQGAQTSZQOXWCU-SNAWJCMRSA-N -1 1 332.341 2.343 20 0 EEADMM COCc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1F ZINC001454256600 1106978893 /nfs/dbraw/zinc/97/88/93/1106978893.db2.gz VYTRBUNYOWOEEM-OAHLLOKOSA-N -1 1 341.346 2.005 20 0 EEADMM O=C(CCC1CCCC1)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001454831541 1107736348 /nfs/dbraw/zinc/73/63/48/1107736348.db2.gz FHCOZEZVTNCZNP-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM C[C@@H](C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1)C1CCC1 ZINC001457007328 1109410402 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CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC001469692274 1110495445 /nfs/dbraw/zinc/49/54/45/1110495445.db2.gz MVBAUUNYCSXIHN-UHFFFAOYSA-N -1 1 331.372 2.275 20 0 EEADMM CCC(CC)N(CCOC)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001474845867 1110602245 /nfs/dbraw/zinc/60/22/45/1110602245.db2.gz RVTHAQVACAYWAQ-UHFFFAOYSA-N -1 1 331.434 2.227 20 0 EEADMM Cc1cc(CNC[C@@H](NC(=O)c2ncccc2[O-])C2CCCC2)no1 ZINC001500086892 1112611199 /nfs/dbraw/zinc/61/11/99/1112611199.db2.gz PYGNVMZZNZRMEA-OAHLLOKOSA-N -1 1 344.415 2.162 20 0 EEADMM Cc1sccc1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001500816757 1113090938 /nfs/dbraw/zinc/09/09/38/1113090938.db2.gz REKXJYGVBAYCEY-CYBMUJFWSA-N -1 1 347.440 2.342 20 0 EEADMM Cc1ccc(C)c(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c1 ZINC001510529855 1117767304 /nfs/dbraw/zinc/76/73/04/1117767304.db2.gz ZDKRBVDGIFKEJK-CQSZACIVSA-N -1 1 341.411 2.295 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001521058188 1119210843 /nfs/dbraw/zinc/21/08/43/1119210843.db2.gz IXRWSJBYJMODSY-SECBINFHSA-N -1 1 333.421 2.090 20 0 EEADMM C[C@H](C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1)C1CCCC1 ZINC001524387016 1120088432 /nfs/dbraw/zinc/08/84/32/1120088432.db2.gz DFFUTZOKWQVNTJ-WFASDCNBSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(Cc1ccc(OC)cc1)C(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001527432647 1120792247 /nfs/dbraw/zinc/79/22/47/1120792247.db2.gz RCQJUOHNPMPATA-UHFFFAOYSA-N -1 1 333.413 2.450 20 0 EEADMM Cc1ccc(OCCCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001527640517 1120838671 /nfs/dbraw/zinc/83/86/71/1120838671.db2.gz QXNWFSKXPKIWHX-UHFFFAOYSA-N -1 1 333.413 2.287 20 0 EEADMM CCCc1ccc(C(=O)NCCN(C)C(=O)c2ncccc2[O-])s1 ZINC001528229477 1120971135 /nfs/dbraw/zinc/97/11/35/1120971135.db2.gz RYXOLSZOMUUZSP-UHFFFAOYSA-N -1 1 347.440 2.303 20 0 EEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC001549117187 1121118429 /nfs/dbraw/zinc/11/84/29/1121118429.db2.gz SNHCTPXLHARYDS-LYRGGWFBSA-N -1 1 337.441 2.194 20 0 EEADMM 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ZINC000676035877 486122571 /nfs/dbraw/zinc/12/25/71/486122571.db2.gz KFJSQTUZXMUSID-SNVBAGLBSA-N -1 1 347.383 2.353 20 0 EEADMM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681064628 486127619 /nfs/dbraw/zinc/12/76/19/486127619.db2.gz SJMASUGZNHCUQZ-UHFFFAOYSA-N -1 1 337.372 2.255 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1O ZINC000676076634 486132112 /nfs/dbraw/zinc/13/21/12/486132112.db2.gz VOPISBSGAGMVBC-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM O=C(Nc1nc(SCCO)n[nH]1)c1ccc(C(F)(F)F)s1 ZINC000673002433 486251648 /nfs/dbraw/zinc/25/16/48/486251648.db2.gz YFUHWAAXEJRNMV-UHFFFAOYSA-N -1 1 338.336 2.222 20 0 EEADMM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000681514073 486258920 /nfs/dbraw/zinc/25/89/20/486258920.db2.gz RKCISKOXVLYERK-GFCCVEGCSA-N -1 1 343.358 2.417 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000681761378 486324577 /nfs/dbraw/zinc/32/45/77/486324577.db2.gz JLMVMFPHUWBRGT-ZFWWWQNUSA-N -1 1 328.416 2.385 20 0 EEADMM O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ncccc1[O-] ZINC000673451466 486325966 /nfs/dbraw/zinc/32/59/66/486325966.db2.gz LJYPVCGEBBLSPV-UHFFFAOYSA-N -1 1 343.774 2.198 20 0 EEADMM O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ncccc1[O-] ZINC000673451466 486325978 /nfs/dbraw/zinc/32/59/78/486325978.db2.gz LJYPVCGEBBLSPV-UHFFFAOYSA-N -1 1 343.774 2.198 20 0 EEADMM CC(C)(C)c1nsc(Oc2ccc([N-]S(C)(=O)=O)nc2)n1 ZINC000673453102 486326017 /nfs/dbraw/zinc/32/60/17/486326017.db2.gz YNRNUIVTPLLLDL-UHFFFAOYSA-N -1 1 328.419 2.394 20 0 EEADMM CCN1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H]1C ZINC000677216198 486396339 /nfs/dbraw/zinc/39/63/39/486396339.db2.gz CRINQJDMJBGMPQ-JTQLQIEISA-N -1 1 327.222 2.321 20 0 EEADMM O=C(Nc1nc2ccccn2n1)c1cc(Br)ccc1[O-] ZINC000677803942 486496482 /nfs/dbraw/zinc/49/64/82/486496482.db2.gz QYUCGWIQJCADTA-UHFFFAOYSA-N -1 1 333.145 2.450 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(F)c(C(F)(F)F)c1)c1nn[n-]n1 ZINC000183420623 533725206 /nfs/dbraw/zinc/72/52/06/533725206.db2.gz DKGKSWLQEMCDIQ-ZETCQYMHSA-N -1 1 331.273 2.233 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000153994497 534645414 /nfs/dbraw/zinc/64/54/14/534645414.db2.gz BWDMEWHZKGSVSO-ZIAGYGMSSA-N -1 1 328.416 2.243 20 0 EEADMM CC(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180516285 526537234 /nfs/dbraw/zinc/53/72/34/526537234.db2.gz OQLMOLRKDNGJCQ-UHFFFAOYSA-N -1 1 344.333 2.399 20 0 EEADMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000183804061 527779719 /nfs/dbraw/zinc/77/97/19/527779719.db2.gz RYDOZZAGBSENQZ-UHFFFAOYSA-N -1 1 339.335 2.114 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OCC)o1 ZINC000452073526 535696725 /nfs/dbraw/zinc/69/67/25/535696725.db2.gz ZBTKBYUWQXIGGL-VXGBXAGGSA-N -1 1 345.417 2.082 20 0 EEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000262878318 536664844 /nfs/dbraw/zinc/66/48/44/536664844.db2.gz KHSOQIULRPRNFE-SFHVURJKSA-N -1 1 343.383 2.030 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)s1 ZINC000738218468 578004249 /nfs/dbraw/zinc/00/42/49/578004249.db2.gz GCWSRKMHXBIICA-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)s1 ZINC000738218468 578004250 /nfs/dbraw/zinc/00/42/50/578004250.db2.gz GCWSRKMHXBIICA-UHFFFAOYSA-N -1 1 349.759 2.016 20 0 EEADMM O=C(c1sc2ccccc2c1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000738291026 578008229 /nfs/dbraw/zinc/00/82/29/578008229.db2.gz BSMGSMCQMQQJAO-SECBINFHSA-N -1 1 349.803 2.282 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738258143 578006423 /nfs/dbraw/zinc/00/64/23/578006423.db2.gz FPGKGPFQUIFHIE-ZDUSSCGKSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738258143 578006424 /nfs/dbraw/zinc/00/64/24/578006424.db2.gz FPGKGPFQUIFHIE-ZDUSSCGKSA-N -1 1 338.346 2.031 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000738412145 578013490 /nfs/dbraw/zinc/01/34/90/578013490.db2.gz IHBBJZCKFJWJHK-CYBMUJFWSA-N -1 1 336.355 2.332 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000738412145 578013491 /nfs/dbraw/zinc/01/34/91/578013491.db2.gz IHBBJZCKFJWJHK-CYBMUJFWSA-N -1 1 336.355 2.332 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738425744 578014358 /nfs/dbraw/zinc/01/43/58/578014358.db2.gz AJBQRWVTIZVNNV-UKRRQHHQSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H]2OCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738425744 578014359 /nfs/dbraw/zinc/01/43/59/578014359.db2.gz AJBQRWVTIZVNNV-UKRRQHHQSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc(NCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738436532 578015098 /nfs/dbraw/zinc/01/50/98/578015098.db2.gz SVPKYZGTMBMSKF-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM c1ccc(NCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000738436532 578015099 /nfs/dbraw/zinc/01/50/99/578015099.db2.gz SVPKYZGTMBMSKF-UHFFFAOYSA-N -1 1 332.371 2.334 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4nccnc4-c4nnn[n-]4)C3)nc2c1 ZINC000738441671 578015399 /nfs/dbraw/zinc/01/53/99/578015399.db2.gz LSXBMHBCGDVQFL-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4nccnc4-c4nn[n-]n4)C3)nc2c1 ZINC000738441671 578015400 /nfs/dbraw/zinc/01/54/00/578015400.db2.gz LSXBMHBCGDVQFL-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(N2CCOC2=O)cc1 ZINC000725891631 576103811 /nfs/dbraw/zinc/10/38/11/576103811.db2.gz QCSXKKCUKRITIH-LLVKDONJSA-N -1 1 327.340 2.235 20 0 EEADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCCCC1 ZINC000738353046 576338653 /nfs/dbraw/zinc/33/86/53/576338653.db2.gz CDJGAYOJWANUHT-UHFFFAOYSA-N -1 1 341.824 2.085 20 0 EEADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCCCC1 ZINC000738353046 576338655 /nfs/dbraw/zinc/33/86/55/576338655.db2.gz CDJGAYOJWANUHT-UHFFFAOYSA-N -1 1 341.824 2.085 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(C)c1 ZINC000727114253 576406769 /nfs/dbraw/zinc/40/67/69/576406769.db2.gz YCPYAVACVNBPTM-UHFFFAOYSA-N -1 1 333.365 2.475 20 0 EEADMM CCCNC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000750550114 576456992 /nfs/dbraw/zinc/45/69/92/576456992.db2.gz GBOLJRFGKGSJET-MRVPVSSYSA-N -1 1 330.178 2.226 20 0 EEADMM O=C(Nc1nncs1)c1ccc(I)c([O-])c1 ZINC000230889422 576599795 /nfs/dbraw/zinc/59/97/95/576599795.db2.gz GBUPZZAIPNBCRB-UHFFFAOYSA-N -1 1 347.137 2.101 20 0 EEADMM CSCC[C@@H](C)N(C)CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000738187772 576719369 /nfs/dbraw/zinc/71/93/69/576719369.db2.gz PLNQKJNVIJLMKK-GFCCVEGCSA-N -1 1 339.461 2.466 20 0 EEADMM CO[C@](C)(C(=O)OCC(=O)[N-]C(=O)c1ccccc1)c1ccccc1 ZINC000730351832 577024849 /nfs/dbraw/zinc/02/48/49/577024849.db2.gz VUTPYNWBZVRQPV-IBGZPJMESA-N -1 1 341.363 2.048 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCC(=O)C1CCCCC1 ZINC000731448100 577101288 /nfs/dbraw/zinc/10/12/88/577101288.db2.gz WGHMKRQNQKOITD-UHFFFAOYSA-N -1 1 345.399 2.287 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc2cncnc2c1 ZINC000772513005 577278241 /nfs/dbraw/zinc/27/82/41/577278241.db2.gz ZBHZAMPRKGHDSR-UHFFFAOYSA-N -1 1 349.350 2.143 20 0 EEADMM Cc1ccc(CCCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)s1 ZINC000773164416 577320329 /nfs/dbraw/zinc/32/03/29/577320329.db2.gz XGXHFDLXVROXKG-GFCCVEGCSA-N -1 1 337.474 2.209 20 0 EEADMM O=C(Cc1ccc2ccccc2c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773165598 577320379 /nfs/dbraw/zinc/32/03/79/577320379.db2.gz ZIHNCMKDISBBOY-HNNXBMFYSA-N -1 1 339.424 2.212 20 0 EEADMM COc1cc(NC(=O)COC(=O)c2ccc([O-])cc2F)cc(OC)c1 ZINC000773572979 577352391 /nfs/dbraw/zinc/35/23/91/577352391.db2.gz ZSMPDEGITYNFGX-UHFFFAOYSA-N -1 1 349.314 2.344 20 0 EEADMM O=C([N-]CCCOC(=O)c1ccc2c(c1)CCCN2)C(F)(F)F ZINC000774942827 577424066 /nfs/dbraw/zinc/42/40/66/577424066.db2.gz GWBIHKVIGSWDCH-UHFFFAOYSA-N -1 1 330.306 2.270 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774986818 577425426 /nfs/dbraw/zinc/42/54/26/577425426.db2.gz VVHLEOGXBBJSLU-QMMMGPOBSA-N -1 1 336.310 2.397 20 0 EEADMM CCc1c(C(=O)OCCC[N-]C(=O)C(F)(F)F)cnn1CC(C)C ZINC000774986465 577425461 /nfs/dbraw/zinc/42/54/61/577425461.db2.gz TZWGUTBHVAHMPF-UHFFFAOYSA-N -1 1 349.353 2.327 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(N(C)CCO)cc2)c1 ZINC000777428225 577478647 /nfs/dbraw/zinc/47/86/47/577478647.db2.gz FPIPVXJCCFPXGO-UHFFFAOYSA-N -1 1 343.383 2.031 20 0 EEADMM OC1(C(F)F)CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000777575524 577482241 /nfs/dbraw/zinc/48/22/41/577482241.db2.gz URVZCNCDJNABHQ-UHFFFAOYSA-N -1 1 341.387 2.052 20 0 EEADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000765086240 577494547 /nfs/dbraw/zinc/49/45/47/577494547.db2.gz ZYSRAEJPKFBXRR-LLVKDONJSA-N -1 1 342.189 2.322 20 0 EEADMM Cn1[n-]c(COC(=O)CCCSc2ccc(Cl)cc2)nc1=O ZINC000765384896 577500081 /nfs/dbraw/zinc/50/00/81/577500081.db2.gz AXHDCOLNMGFGPU-UHFFFAOYSA-N -1 1 341.820 2.378 20 0 EEADMM CC(C)Cc1ccc(C(=O)CCC(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765444976 577501160 /nfs/dbraw/zinc/50/11/60/577501160.db2.gz LCWSLTAASNCHBV-UHFFFAOYSA-N -1 1 345.399 2.013 20 0 EEADMM Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000768286333 577553213 /nfs/dbraw/zinc/55/32/13/577553213.db2.gz ZNIWMYLNGZJYSK-UHFFFAOYSA-N -1 1 330.749 2.444 20 0 EEADMM Nc1c(Cl)nccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000768565641 577558623 /nfs/dbraw/zinc/55/86/23/577558623.db2.gz XKEUZMUHEZFQFN-UHFFFAOYSA-N -1 1 346.726 2.486 20 0 EEADMM CCCc1ccc(N2C[C@@H](C(=O)[N-]OCC(F)F)CC2=O)cc1 ZINC000759337122 577641290 /nfs/dbraw/zinc/64/12/90/577641290.db2.gz LJWYDEKFQSJGPA-LBPRGKRZSA-N -1 1 326.343 2.305 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2cccc3c2COC3=O)[nH]nc1C1CC1 ZINC000760324216 577660755 /nfs/dbraw/zinc/66/07/55/577660755.db2.gz XVSKTHLUCKZHNX-UHFFFAOYSA-N -1 1 333.369 2.067 20 0 EEADMM CC(C)C[C@@H](NC(=O)[C@@H](N)c1ccc(Br)cc1)C(=O)[O-] ZINC000763030085 577712948 /nfs/dbraw/zinc/71/29/48/577712948.db2.gz BIYVNIPVVDCMMR-NEPJUHHUSA-N -1 1 343.221 2.064 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(C)c(C)c1 ZINC000750955313 577745985 /nfs/dbraw/zinc/74/59/85/577745985.db2.gz QMSCZUYECWPOBK-UHFFFAOYSA-N -1 1 338.385 2.279 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCn2ccccc2=O)c1 ZINC000745050624 577907105 /nfs/dbraw/zinc/90/71/05/577907105.db2.gz RNQOFPPBVODRHD-UHFFFAOYSA-N -1 1 343.379 2.323 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cnc1Cl ZINC000745997214 577921148 /nfs/dbraw/zinc/92/11/48/577921148.db2.gz FDPCBAUWYXXYTF-UHFFFAOYSA-N -1 1 342.760 2.248 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1csc(C2CC2)n1 ZINC000747473253 577945124 /nfs/dbraw/zinc/94/51/24/577945124.db2.gz BLDDYBPYZZKPRR-LBPRGKRZSA-N -1 1 326.385 2.053 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)[O-])cc1 ZINC000738655306 578022965 /nfs/dbraw/zinc/02/29/65/578022965.db2.gz PWIOJGCXWRYOBD-UHFFFAOYSA-N -1 1 349.364 2.037 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(CN1C(=O)OC[C@@H]1Cc1ccccc1)CC2 ZINC000739533012 578057025 /nfs/dbraw/zinc/05/70/25/578057025.db2.gz SLWKWKUTCKPELM-JKSUJKDBSA-N -1 1 344.411 2.194 20 0 EEADMM O=C([O-])CCc1nc(CSc2nc(-c3ccccc3F)n[nH]2)no1 ZINC000739771154 578067239 /nfs/dbraw/zinc/06/72/39/578067239.db2.gz GYSMAIGBFFTKDE-UHFFFAOYSA-N -1 1 349.347 2.303 20 0 EEADMM O=C([O-])Cn1ccc(NS(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000739919666 578073434 /nfs/dbraw/zinc/07/34/34/578073434.db2.gz FWGYWDVGBCMYGS-SOFGYWHQSA-N -1 1 341.776 2.034 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735457871 578154426 /nfs/dbraw/zinc/15/44/26/578154426.db2.gz FONCONSWFFQMIB-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(=O)CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735457871 578154428 /nfs/dbraw/zinc/15/44/28/578154428.db2.gz FONCONSWFFQMIB-UHFFFAOYSA-N -1 1 337.339 2.003 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735628447 578161559 /nfs/dbraw/zinc/16/15/59/578161559.db2.gz UOBZKKNOMSLSJM-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735628447 578161560 /nfs/dbraw/zinc/16/15/60/578161560.db2.gz UOBZKKNOMSLSJM-LLVKDONJSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000735670650 578163102 /nfs/dbraw/zinc/16/31/02/578163102.db2.gz TZKCRIDSNKZGMO-UHFFFAOYSA-N -1 1 336.399 2.260 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC000735670650 578163103 /nfs/dbraw/zinc/16/31/03/578163103.db2.gz TZKCRIDSNKZGMO-UHFFFAOYSA-N -1 1 336.399 2.260 20 0 EEADMM CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000735839508 578170750 /nfs/dbraw/zinc/17/07/50/578170750.db2.gz WYSDQGKUFONERL-KGLIPLIRSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000735839508 578170751 /nfs/dbraw/zinc/17/07/51/578170751.db2.gz WYSDQGKUFONERL-KGLIPLIRSA-N -1 1 345.403 2.258 20 0 EEADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736130288 578181317 /nfs/dbraw/zinc/18/13/17/578181317.db2.gz LNXMRKVCZWDSMH-JTQLQIEISA-N -1 1 347.375 2.045 20 0 EEADMM CC(C)[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)N(C)C ZINC000736348759 578198175 /nfs/dbraw/zinc/19/81/75/578198175.db2.gz CNPGPMACEUWMAM-GFCCVEGCSA-N -1 1 336.417 2.361 20 0 EEADMM CCOc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1OCC ZINC000736646434 578216207 /nfs/dbraw/zinc/21/62/07/578216207.db2.gz GTUDNQODBFIDLT-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM CCOc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1OCC ZINC000736646434 578216208 /nfs/dbraw/zinc/21/62/08/578216208.db2.gz GTUDNQODBFIDLT-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM C[C@H](CN(CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1)C(=O)[O-] ZINC000736788572 578223639 /nfs/dbraw/zinc/22/36/39/578223639.db2.gz FHEWOHZYISACFW-JKSUJKDBSA-N -1 1 332.444 2.468 20 0 EEADMM CC[C@](C)(NCC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000736863801 578227393 /nfs/dbraw/zinc/22/73/93/578227393.db2.gz PRNRALJBZGHPPH-ZDUSSCGKSA-N -1 1 334.294 2.367 20 0 EEADMM CN1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)Cc2ccccc21 ZINC000736863945 578227490 /nfs/dbraw/zinc/22/74/90/578227490.db2.gz NMLHDNYZHRAMKT-UHFFFAOYSA-N -1 1 338.390 2.458 20 0 EEADMM CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)Cc2ccccc21 ZINC000736863945 578227491 /nfs/dbraw/zinc/22/74/91/578227491.db2.gz NMLHDNYZHRAMKT-UHFFFAOYSA-N -1 1 338.390 2.458 20 0 EEADMM Cc1nc(C)n([C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(F)cc3)C2)n1 ZINC000738848767 578234272 /nfs/dbraw/zinc/23/42/72/578234272.db2.gz YLMSFTWSLREJPE-HZPDHXFCSA-N -1 1 332.379 2.497 20 0 EEADMM CCCc1nnc([C@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)[nH]1 ZINC000737050384 578235280 /nfs/dbraw/zinc/23/52/80/578235280.db2.gz ITCMZVTUKIHGPK-CQSZACIVSA-N -1 1 330.388 2.029 20 0 EEADMM CCCc1n[nH]c([C@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)n1 ZINC000737050384 578235281 /nfs/dbraw/zinc/23/52/81/578235281.db2.gz ITCMZVTUKIHGPK-CQSZACIVSA-N -1 1 330.388 2.029 20 0 EEADMM COc1cccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737130609 578239891 /nfs/dbraw/zinc/23/98/91/578239891.db2.gz IEXRKSYGSLYJLH-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1cccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737130609 578239892 /nfs/dbraw/zinc/23/98/92/578239892.db2.gz IEXRKSYGSLYJLH-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM CCOC[C@@H]1CCCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737164415 578241617 /nfs/dbraw/zinc/24/16/17/578241617.db2.gz OYHDHEXAXDAWAI-CQSZACIVSA-N -1 1 334.416 2.380 20 0 EEADMM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000737206930 578243629 /nfs/dbraw/zinc/24/36/29/578243629.db2.gz NBDIEPKIPNDIQR-LLVKDONJSA-N -1 1 347.762 2.121 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000737422847 578256719 /nfs/dbraw/zinc/25/67/19/578256719.db2.gz PDKDREFIHGMQJU-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000737422847 578256720 /nfs/dbraw/zinc/25/67/20/578256720.db2.gz PDKDREFIHGMQJU-INIZCTEOSA-N -1 1 334.383 2.451 20 0 EEADMM Clc1ccc(N2CCO[C@H](c3ccccc3)C2)nc1-c1nnn[n-]1 ZINC000737576436 578265290 /nfs/dbraw/zinc/26/52/90/578265290.db2.gz RDGCXIAAWQSVEG-ZDUSSCGKSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccc(N2CCO[C@H](c3ccccc3)C2)nc1-c1nn[n-]n1 ZINC000737576436 578265291 /nfs/dbraw/zinc/26/52/91/578265291.db2.gz RDGCXIAAWQSVEG-ZDUSSCGKSA-N -1 1 342.790 2.493 20 0 EEADMM FC(F)(F)SCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737625952 578267266 /nfs/dbraw/zinc/26/72/66/578267266.db2.gz DVJFTGUVQAAJJH-UHFFFAOYSA-N -1 1 341.322 2.475 20 0 EEADMM FC(F)(F)SCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737625952 578267267 /nfs/dbraw/zinc/26/72/67/578267267.db2.gz DVJFTGUVQAAJJH-UHFFFAOYSA-N -1 1 341.322 2.475 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738021398 578276767 /nfs/dbraw/zinc/27/67/67/578276767.db2.gz BWVNMQVHAPVRBS-MBNYWOFBSA-N -1 1 326.404 2.350 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738021398 578276768 /nfs/dbraw/zinc/27/67/68/578276768.db2.gz BWVNMQVHAPVRBS-MBNYWOFBSA-N -1 1 326.404 2.350 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccs1 ZINC000818374850 597040619 /nfs/dbraw/zinc/04/06/19/597040619.db2.gz SMNAFHUSJJUJPK-CHWSQXEVSA-N -1 1 339.461 2.247 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825194057 607864419 /nfs/dbraw/zinc/86/44/19/607864419.db2.gz OUGOORKLUYBGTB-LLVKDONJSA-N -1 1 333.367 2.176 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825194057 607864420 /nfs/dbraw/zinc/86/44/20/607864420.db2.gz OUGOORKLUYBGTB-LLVKDONJSA-N -1 1 333.367 2.176 20 0 EEADMM CCc1nc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n[nH]1 ZINC000830334689 600805212 /nfs/dbraw/zinc/80/52/12/600805212.db2.gz BNBMMPXRLYMBMH-MRVPVSSYSA-N -1 1 338.414 2.024 20 0 EEADMM CCc1n[nH]c(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000830334689 600805214 /nfs/dbraw/zinc/80/52/14/600805214.db2.gz BNBMMPXRLYMBMH-MRVPVSSYSA-N -1 1 338.414 2.024 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[nH]1 ZINC000833021083 600838973 /nfs/dbraw/zinc/83/89/73/600838973.db2.gz GRYGEHBTKWAFOL-UHFFFAOYSA-N -1 1 339.352 2.463 20 0 EEADMM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000833183302 600894140 /nfs/dbraw/zinc/89/41/40/600894140.db2.gz SFWKOTDTWXTRFM-CABCVRRESA-N -1 1 345.443 2.053 20 0 EEADMM C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315697388 600981945 /nfs/dbraw/zinc/98/19/45/600981945.db2.gz OJSZBMBZQKCVQV-UHFFFAOYSA-N -1 1 340.426 2.309 20 0 EEADMM CN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H]1CCCCNC1=O ZINC000830792139 600995942 /nfs/dbraw/zinc/99/59/42/600995942.db2.gz QCIKINQKIHJTEV-ZDUSSCGKSA-N -1 1 340.807 2.018 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@](C)(C(=O)[O-])C2CC2)C(C)C)cc1 ZINC000832246201 601038917 /nfs/dbraw/zinc/03/89/17/601038917.db2.gz QXZQNSOVGOGNFG-MJGOQNOKSA-N -1 1 348.443 2.351 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000827368760 601123366 /nfs/dbraw/zinc/12/33/66/601123366.db2.gz JPOTVVUBRADDHM-LLVKDONJSA-N -1 1 325.796 2.353 20 0 EEADMM CCC1CCC(NC(=O)CCSc2nnc(C)[nH]2)(C(=O)[O-])CC1 ZINC000829086468 601294950 /nfs/dbraw/zinc/29/49/50/601294950.db2.gz MXUAMXOPTOYYRJ-UHFFFAOYSA-N -1 1 340.449 2.135 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000831527106 601539556 /nfs/dbraw/zinc/53/95/56/601539556.db2.gz SCRMUNHNOXWBNO-KBXCAEBGSA-N -1 1 334.416 2.459 20 0 EEADMM Cn1cc(NS(=O)(=O)c2ccc(F)c3ncccc32)cc1C(=O)[O-] ZINC000833053478 601784103 /nfs/dbraw/zinc/78/41/03/601784103.db2.gz VQBTYEICRCTOMD-UHFFFAOYSA-N -1 1 349.343 2.211 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000828024292 601937676 /nfs/dbraw/zinc/93/76/76/601937676.db2.gz MJYANENHXSVURQ-OAHLLOKOSA-N -1 1 328.315 2.023 20 0 EEADMM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826020779 601950489 /nfs/dbraw/zinc/95/04/89/601950489.db2.gz ITBFJSKWQIOOJX-QFYYESIMSA-N -1 1 342.342 2.412 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)ccc1Cl ZINC000165783006 602156651 /nfs/dbraw/zinc/15/66/51/602156651.db2.gz DAIKUEVMXOKALX-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM Cc1cc(CONC(=N)[C@H]2COc3ccccc3O2)oc1C(=O)[O-] ZINC000832886581 602160710 /nfs/dbraw/zinc/16/07/10/602160710.db2.gz ZESNGSMAUWLYTR-CYBMUJFWSA-N -1 1 332.312 2.125 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832425200 602309795 /nfs/dbraw/zinc/30/97/95/602309795.db2.gz QXPKVEJOSRQUAQ-RUDMXATFSA-N -1 1 349.364 2.299 20 0 EEADMM CN(CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000828090998 603935307 /nfs/dbraw/zinc/93/53/07/603935307.db2.gz UHAISHIPDZDPIX-LBPRGKRZSA-N -1 1 336.779 2.490 20 0 EEADMM O=C([O-])c1cc(CN2CCC(NC(=O)NC3CCCCC3)CC2)c[nH]1 ZINC000833766010 604608614 /nfs/dbraw/zinc/60/86/14/604608614.db2.gz CHCGLSGBGBVNBK-UHFFFAOYSA-N -1 1 348.447 2.309 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n[nH]1 ZINC000832884101 604743573 /nfs/dbraw/zinc/74/35/73/604743573.db2.gz WHIKPCFDCUOXLW-LLVKDONJSA-N -1 1 340.383 2.118 20 0 EEADMM COCC1(C)CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833722805 605021470 /nfs/dbraw/zinc/02/14/70/605021470.db2.gz KQGUWBKIPICTLY-UHFFFAOYSA-N -1 1 349.431 2.141 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000833672990 605022285 /nfs/dbraw/zinc/02/22/85/605022285.db2.gz GSMIHZCVNRRWMY-SNVBAGLBSA-N -1 1 346.391 2.060 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCc2sccc21 ZINC000833626189 605115490 /nfs/dbraw/zinc/11/54/90/605115490.db2.gz YBUNWZUEDJNDTG-GXTWGEPZSA-N -1 1 336.457 2.175 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833535385 605255889 /nfs/dbraw/zinc/25/58/89/605255889.db2.gz HZWUNAYCIXKTDP-HUUCEWRRSA-N -1 1 340.464 2.122 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833637458 605292346 /nfs/dbraw/zinc/29/23/46/605292346.db2.gz DTJGHKGOONIBKY-YHAQOWFVSA-N -1 1 328.359 2.231 20 0 EEADMM CC(C)(C)Sc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])ccn1 ZINC000833448187 605466213 /nfs/dbraw/zinc/46/62/13/605466213.db2.gz PEQHBMSARAWVSE-LBPRGKRZSA-N -1 1 348.428 2.121 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823409961 606138617 /nfs/dbraw/zinc/13/86/17/606138617.db2.gz OUJGUAHSHZBGRQ-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823409961 606138619 /nfs/dbraw/zinc/13/86/19/606138619.db2.gz OUJGUAHSHZBGRQ-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM O=C(OCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823405478 606181092 /nfs/dbraw/zinc/18/10/92/606181092.db2.gz RMNGQGFNPPRHTL-UHFFFAOYSA-N -1 1 330.369 2.302 20 0 EEADMM O=C(OCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823405478 606181093 /nfs/dbraw/zinc/18/10/93/606181093.db2.gz RMNGQGFNPPRHTL-UHFFFAOYSA-N -1 1 330.369 2.302 20 0 EEADMM Clc1ccc(Sc2nnc3ccccn32)nc1-c1nnn[n-]1 ZINC000822582829 606440454 /nfs/dbraw/zinc/44/04/54/606440454.db2.gz XVEBZFUVPNLMCT-UHFFFAOYSA-N -1 1 330.764 2.109 20 0 EEADMM Clc1ccc(Sc2nnc3ccccn32)nc1-c1nn[n-]n1 ZINC000822582829 606440456 /nfs/dbraw/zinc/44/04/56/606440456.db2.gz XVEBZFUVPNLMCT-UHFFFAOYSA-N -1 1 330.764 2.109 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000820392241 606500475 /nfs/dbraw/zinc/50/04/75/606500475.db2.gz SYYZHCQJGLFTAK-QMMMGPOBSA-N -1 1 343.368 2.148 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)OCO2 ZINC000820392241 606500476 /nfs/dbraw/zinc/50/04/76/606500476.db2.gz SYYZHCQJGLFTAK-QMMMGPOBSA-N -1 1 343.368 2.148 20 0 EEADMM CCOc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821431351 606516858 /nfs/dbraw/zinc/51/68/58/606516858.db2.gz QWVFGIFMVHLCPS-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM CCOc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821431351 606516860 /nfs/dbraw/zinc/51/68/60/606516860.db2.gz QWVFGIFMVHLCPS-UHFFFAOYSA-N -1 1 325.328 2.017 20 0 EEADMM Cc1noc2ncc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc12 ZINC000822530611 606544681 /nfs/dbraw/zinc/54/46/81/606544681.db2.gz JMNCHYOXOYWOJX-UHFFFAOYSA-N -1 1 327.329 2.025 20 0 EEADMM Cc1noc2ncc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc12 ZINC000822530611 606544683 /nfs/dbraw/zinc/54/46/83/606544683.db2.gz JMNCHYOXOYWOJX-UHFFFAOYSA-N -1 1 327.329 2.025 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823144888 606565531 /nfs/dbraw/zinc/56/55/31/606565531.db2.gz MSAPDWTXHQWRTF-OIBJUYFYSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823144888 606565533 /nfs/dbraw/zinc/56/55/33/606565533.db2.gz MSAPDWTXHQWRTF-OIBJUYFYSA-N -1 1 347.350 2.492 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nccs1 ZINC000820853785 606569372 /nfs/dbraw/zinc/56/93/72/606569372.db2.gz PEIABFVYWFPYSR-ZDUSSCGKSA-N -1 1 334.430 2.440 20 0 EEADMM CC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nccs1 ZINC000820853785 606569374 /nfs/dbraw/zinc/56/93/74/606569374.db2.gz PEIABFVYWFPYSR-ZDUSSCGKSA-N -1 1 334.430 2.440 20 0 EEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000819875923 606603089 /nfs/dbraw/zinc/60/30/89/606603089.db2.gz CGPWUXNVCGOPRS-NSHDSACASA-N -1 1 347.382 2.496 20 0 EEADMM C[C@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000819875923 606603090 /nfs/dbraw/zinc/60/30/90/606603090.db2.gz CGPWUXNVCGOPRS-NSHDSACASA-N -1 1 347.382 2.496 20 0 EEADMM Cc1cccc2c(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c[nH]c21 ZINC000822331262 606648071 /nfs/dbraw/zinc/64/80/71/606648071.db2.gz ALCNWQYNHMJDRA-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM Cc1cccc2c(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c[nH]c21 ZINC000822331262 606648072 /nfs/dbraw/zinc/64/80/72/606648072.db2.gz ALCNWQYNHMJDRA-UHFFFAOYSA-N -1 1 348.366 2.337 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(-c2cnco2)cc1 ZINC000823379860 607108908 /nfs/dbraw/zinc/10/89/08/607108908.db2.gz LZXSOXPPJKKJKR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(-c2cnco2)cc1 ZINC000823379860 607108910 /nfs/dbraw/zinc/10/89/10/607108910.db2.gz LZXSOXPPJKKJKR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM c1ccc2c(c1)COC21CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823743105 607120178 /nfs/dbraw/zinc/12/01/78/607120178.db2.gz SSQSPRIFGASHGQ-UHFFFAOYSA-N -1 1 334.383 2.288 20 0 EEADMM c1ccc2c(c1)COC21CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823743105 607120180 /nfs/dbraw/zinc/12/01/80/607120180.db2.gz SSQSPRIFGASHGQ-UHFFFAOYSA-N -1 1 334.383 2.288 20 0 EEADMM Cc1ccn(-c2ccccc2CNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000822370256 607125986 /nfs/dbraw/zinc/12/59/86/607125986.db2.gz UXLBSDGEFHCJMQ-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccn(-c2ccccc2CNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000822370256 607125988 /nfs/dbraw/zinc/12/59/88/607125988.db2.gz UXLBSDGEFHCJMQ-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1cccc([C@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000822288850 607127868 /nfs/dbraw/zinc/12/78/68/607127868.db2.gz LDZCDZRTDMRVLY-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cccc([C@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000822288850 607127870 /nfs/dbraw/zinc/12/78/70/607127870.db2.gz LDZCDZRTDMRVLY-OAHLLOKOSA-N -1 1 347.382 2.264 20 0 EEADMM Fc1cccc(OCc2nccn2CC(F)(F)F)c1-c1nnn[n-]1 ZINC000826377793 607865452 /nfs/dbraw/zinc/86/54/52/607865452.db2.gz GGTUTFVKLSNHRV-UHFFFAOYSA-N -1 1 342.256 2.344 20 0 EEADMM Fc1cccc(OCc2nccn2CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826377793 607865453 /nfs/dbraw/zinc/86/54/53/607865453.db2.gz GGTUTFVKLSNHRV-UHFFFAOYSA-N -1 1 342.256 2.344 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826505116 607875302 /nfs/dbraw/zinc/87/53/02/607875302.db2.gz NAGWRUHXZZDXJU-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM O[C@@H](COc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826505116 607875303 /nfs/dbraw/zinc/87/53/03/607875303.db2.gz NAGWRUHXZZDXJU-LBPRGKRZSA-N -1 1 336.273 2.396 20 0 EEADMM c1ccc2sc(C3CN(c4cccc(-c5nnn[n-]5)n4)C3)nc2c1 ZINC000826514112 607902490 /nfs/dbraw/zinc/90/24/90/607902490.db2.gz HRDAJANCSMXBHO-UHFFFAOYSA-N -1 1 335.396 2.475 20 0 EEADMM c1ccc2sc(C3CN(c4cccc(-c5nn[n-]n5)n4)C3)nc2c1 ZINC000826514112 607902491 /nfs/dbraw/zinc/90/24/91/607902491.db2.gz HRDAJANCSMXBHO-UHFFFAOYSA-N -1 1 335.396 2.475 20 0 EEADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825966232 608103549 /nfs/dbraw/zinc/10/35/49/608103549.db2.gz UHZSIEMKEKQJKZ-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825966232 608103550 /nfs/dbraw/zinc/10/35/50/608103550.db2.gz UHZSIEMKEKQJKZ-UHFFFAOYSA-N -1 1 346.753 2.326 20 0 EEADMM Clc1nsc(N2CCC[C@H](c3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC000826354056 608177041 /nfs/dbraw/zinc/17/70/41/608177041.db2.gz OETLJPSQHZKDTJ-ZETCQYMHSA-N -1 1 336.812 2.084 20 0 EEADMM Clc1nsc(NC2CCC3(CC2)OCCO3)c1-c1nnn[n-]1 ZINC000826353840 608177572 /nfs/dbraw/zinc/17/75/72/608177572.db2.gz GCJUEGZHUOCFTH-UHFFFAOYSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nsc(NC2CCC3(CC2)OCCO3)c1-c1nn[n-]n1 ZINC000826353840 608177573 /nfs/dbraw/zinc/17/75/73/608177573.db2.gz GCJUEGZHUOCFTH-UHFFFAOYSA-N -1 1 342.812 2.074 20 0 EEADMM Clc1nsc(N2CCOC[C@H]2c2ccco2)c1-c1nnn[n-]1 ZINC000826354223 608189359 /nfs/dbraw/zinc/18/93/59/608189359.db2.gz UBUZURQKFRGTRB-ZETCQYMHSA-N -1 1 338.780 2.148 20 0 EEADMM Clc1nsc(N2CCOC[C@H]2c2ccco2)c1-c1nn[n-]n1 ZINC000826354223 608189361 /nfs/dbraw/zinc/18/93/61/608189361.db2.gz UBUZURQKFRGTRB-ZETCQYMHSA-N -1 1 338.780 2.148 20 0 EEADMM O[C@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506262 608193269 /nfs/dbraw/zinc/19/32/69/608193269.db2.gz QAALSNUIVJXQDN-AWEZNQCLSA-N -1 1 348.819 2.223 20 0 EEADMM O[C@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCc2ccccc21 ZINC000826506262 608193270 /nfs/dbraw/zinc/19/32/70/608193270.db2.gz QAALSNUIVJXQDN-AWEZNQCLSA-N -1 1 348.819 2.223 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)C(F)(F)F ZINC000825148628 608231846 /nfs/dbraw/zinc/23/18/46/608231846.db2.gz RIWUEUUXVJDFHZ-IMTBSYHQSA-N -1 1 336.705 2.029 20 0 EEADMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)C(F)(F)F ZINC000825148628 608231848 /nfs/dbraw/zinc/23/18/48/608231848.db2.gz RIWUEUUXVJDFHZ-IMTBSYHQSA-N -1 1 336.705 2.029 20 0 EEADMM COc1ccc(CN(C)c2nc(-c3nn[n-]n3)ccc2C)cc1F ZINC000826193172 608541306 /nfs/dbraw/zinc/54/13/06/608541306.db2.gz SGTYBDBRZUBPRM-UHFFFAOYSA-N -1 1 328.351 2.354 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccccc2F)C1 ZINC000969545170 675098095 /nfs/dbraw/zinc/09/80/95/675098095.db2.gz CAZNOGRBJGRIQY-GFCCVEGCSA-N -1 1 329.375 2.177 20 0 EEADMM O=C(N[C@H]1COC[C@@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC000891052541 675992348 /nfs/dbraw/zinc/99/23/48/675992348.db2.gz JBQILILOKAJIRV-PWSUYJOCSA-N -1 1 326.190 2.310 20 0 EEADMM C[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020691558 675412065 /nfs/dbraw/zinc/41/20/65/675412065.db2.gz HDZCLYLZBYIHTJ-KBPBESRZSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1ccc(C[C@H]2CCCN(C(=O)Cc3sc(N)nc3[O-])C2)cc1 ZINC000079835479 675447178 /nfs/dbraw/zinc/44/71/78/675447178.db2.gz ZDVXOUOUPHQJQV-HUUCEWRRSA-N -1 1 345.468 2.123 20 0 EEADMM COCc1nc(N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc(=O)[n-]1 ZINC000892031853 677924998 /nfs/dbraw/zinc/92/49/98/677924998.db2.gz CCZARTKQIXBXTJ-LLVKDONJSA-N -1 1 344.371 2.458 20 0 EEADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cncc([O-])c1)C2 ZINC000890752806 675575975 /nfs/dbraw/zinc/57/59/75/675575975.db2.gz GEGARFLUNNRKNP-YUTCNCBUSA-N -1 1 347.415 2.305 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC000890755543 675587458 /nfs/dbraw/zinc/58/74/58/675587458.db2.gz TZEIYRZKYLHGDT-AVGNSLFASA-N -1 1 347.415 2.305 20 0 EEADMM Cc1cc(CN2CCN(C(=O)c3c([O-])cccc3Cl)CC2)on1 ZINC000143706620 675648806 /nfs/dbraw/zinc/64/88/06/675648806.db2.gz WJUYXFSLFWNRRI-UHFFFAOYSA-N -1 1 335.791 2.300 20 0 EEADMM O=S(=O)([N-]Cc1cccc(CO)c1)c1ccc(Cl)nc1Cl ZINC000178689505 678715716 /nfs/dbraw/zinc/71/57/16/678715716.db2.gz FMQQPXJJCIFXPW-UHFFFAOYSA-N -1 1 347.223 2.359 20 0 EEADMM Cc1ncccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001024407151 679891573 /nfs/dbraw/zinc/89/15/73/679891573.db2.gz LMGVDEZUAGOHAN-INIZCTEOSA-N -1 1 340.427 2.275 20 0 EEADMM O=C(NCCCNC(=O)C1CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC000896839961 685359310 /nfs/dbraw/zinc/35/93/10/685359310.db2.gz FUZXDTSXMKIMOC-UHFFFAOYSA-N -1 1 342.395 2.287 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]OCCC(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000155001602 681406617 /nfs/dbraw/zinc/40/66/17/681406617.db2.gz QKXCPJAOSVBJGM-TUAOUCFPSA-N -1 1 326.359 2.120 20 0 EEADMM CC(C)[C@@H](C(=O)[N-]OCCC(F)(F)F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000155001602 681406620 /nfs/dbraw/zinc/40/66/20/681406620.db2.gz QKXCPJAOSVBJGM-TUAOUCFPSA-N -1 1 326.359 2.120 20 0 EEADMM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000937217856 681719081 /nfs/dbraw/zinc/71/90/81/681719081.db2.gz YJDQZBUUTJLCBV-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([N-]NC(=O)c1ccccc1)c1cccnc1OCC(F)(F)F ZINC000024559230 681793132 /nfs/dbraw/zinc/79/31/32/681793132.db2.gz SSPVGCYGEQQQAZ-UHFFFAOYSA-N -1 1 339.273 2.098 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675066 682003968 /nfs/dbraw/zinc/00/39/68/682003968.db2.gz ZYFZOQYNMRKUDG-RRFJBIMHSA-N -1 1 345.443 2.048 20 0 EEADMM O=C([N-][C@@H]1CCN(C(=O)c2c(F)ccc(F)c2Cl)C1)C(F)F ZINC000936244863 682737570 /nfs/dbraw/zinc/73/75/70/682737570.db2.gz TUODYRBSTKKHGG-ZCFIWIBFSA-N -1 1 338.688 2.214 20 0 EEADMM CC1(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000983576499 682885143 /nfs/dbraw/zinc/88/51/43/682885143.db2.gz ZKQMKWSFFFFWIL-OLZOCXBDSA-N -1 1 331.416 2.135 20 0 EEADMM CCCC(=O)N1C[C@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C[C@@H]1C ZINC001012185629 682890415 /nfs/dbraw/zinc/89/04/15/682890415.db2.gz IMAYMXBNIKUTEO-WCQYABFASA-N -1 1 348.447 2.133 20 0 EEADMM CC(=O)C[C@H](C)NC(=O)c1ccc(I)cc1[O-] ZINC000866890053 685618085 /nfs/dbraw/zinc/61/80/85/685618085.db2.gz UHQHQPCOOYEEHF-ZETCQYMHSA-N -1 1 347.152 2.094 20 0 EEADMM COCc1nc(N[C@@H]2CCN(c3ccccc3OC)C2)cc(=O)[n-]1 ZINC000892894045 683172846 /nfs/dbraw/zinc/17/28/46/683172846.db2.gz SCJXPYAQQRHUAH-GFCCVEGCSA-N -1 1 330.388 2.028 20 0 EEADMM CC(C)(C)c1nccc(N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001059201210 683200099 /nfs/dbraw/zinc/20/00/99/683200099.db2.gz VRQAPMBNNIAAKA-HAQNSBGRSA-N -1 1 341.415 2.248 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984074391 684058020 /nfs/dbraw/zinc/05/80/20/684058020.db2.gz FQQNUOLOXMDHEZ-GFCCVEGCSA-N -1 1 335.379 2.114 20 0 EEADMM CN(C(=O)[C@]1(C)C=CCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984118382 684118787 /nfs/dbraw/zinc/11/87/87/684118787.db2.gz KFAMRRNVVGDTDD-AUUYWEPGSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1)c1ncccc1[O-] ZINC000974055015 684265197 /nfs/dbraw/zinc/26/51/97/684265197.db2.gz XHWCLPDXJUWYKO-KFWWJZLASA-N -1 1 343.427 2.301 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)C1)c1ncccc1[O-] ZINC000974055621 684266677 /nfs/dbraw/zinc/26/66/77/684266677.db2.gz JPTSIHGOUUXRRK-OKILXGFUSA-N -1 1 343.427 2.135 20 0 EEADMM CC1(C)CC(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000978755746 693860737 /nfs/dbraw/zinc/86/07/37/693860737.db2.gz VPCAQSVOVSXQLU-XBXGTLAGSA-N -1 1 345.443 2.238 20 0 EEADMM CO[C@]1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCSC1 ZINC000895561750 684642753 /nfs/dbraw/zinc/64/27/53/684642753.db2.gz GXFXOANIEVAWRK-GOSISDBHSA-N -1 1 349.452 2.336 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000984519447 684693174 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1319990425 /nfs/dbraw/zinc/99/04/25/1319990425.db2.gz WQCRDDIQCRUOHI-UHFFFAOYSA-N -1 1 345.376 2.403 20 0 EEADMM O=C(Nc1cccc(Cc2nn[nH]n2)c1)c1c(F)ccc([O-])c1F ZINC001160953727 1320330849 /nfs/dbraw/zinc/33/08/49/1320330849.db2.gz ADUDEFXONQYDOH-UHFFFAOYSA-N -1 1 331.282 2.027 20 0 EEADMM COCc1ccc(Br)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC001260962087 1321989007 /nfs/dbraw/zinc/98/90/07/1321989007.db2.gz JAJCTAZLEXMSIV-UHFFFAOYSA-N -1 1 346.206 2.119 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)[C@H]1CC(=O)c2ccccc21 ZINC000356488676 1323295938 /nfs/dbraw/zinc/29/59/38/1323295938.db2.gz YVYCJIFZGXQOGL-HNNXBMFYSA-N -1 1 349.350 2.087 20 0 EEADMM COc1cc(C)c(Nc2cc(S(=O)(=O)C(N)=O)ccc2[O-])cn1 ZINC001209872724 1325078564 /nfs/dbraw/zinc/07/85/64/1325078564.db2.gz GSELIDFWXLHMDJ-UHFFFAOYSA-N -1 1 337.357 2.114 20 0 EEADMM CCOC(=O)c1nc(Br)cnc1[N-]c1cnoc1C ZINC001210579508 1325340207 /nfs/dbraw/zinc/34/02/07/1325340207.db2.gz ZGEUCANRLYYYQU-UHFFFAOYSA-N -1 1 327.138 2.456 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589997416 1349098742 /nfs/dbraw/zinc/09/87/42/1349098742.db2.gz LZSMIFOMQJTCFQ-QWRGUYRKSA-N -1 1 336.827 2.435 20 0 EEADMM C[C@H](O)C[C@@H]1CCCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589997416 1349098750 /nfs/dbraw/zinc/09/87/50/1349098750.db2.gz LZSMIFOMQJTCFQ-QWRGUYRKSA-N -1 1 336.827 2.435 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1nc2ccccc2n1C ZINC001590010205 1349106204 /nfs/dbraw/zinc/10/62/04/1349106204.db2.gz GXSJPVVCLHIGJB-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1nc2ccccc2n1C ZINC001590010205 1349106210 /nfs/dbraw/zinc/10/62/10/1349106210.db2.gz GXSJPVVCLHIGJB-JTQLQIEISA-N -1 1 349.354 2.066 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)CC1 ZINC001602216033 1350468295 /nfs/dbraw/zinc/46/82/95/1350468295.db2.gz SRUBZQSLWAFVSJ-MGCOHNPYSA-N -1 1 332.335 2.440 20 0 EEADMM CC(C)N(Cc1ccccn1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603330994 1350689470 /nfs/dbraw/zinc/68/94/70/1350689470.db2.gz QETGXRDNRIUKNT-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM Cc1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001607727205 1351547301 /nfs/dbraw/zinc/54/73/01/1351547301.db2.gz DEYBVRWUIIZQQI-QGZVFWFLSA-N -1 1 338.407 2.350 20 0 EEADMM Cn1cc([C@@H](NCc2cccc(C(=O)[O-])c2)C2(CO)CCC2)cn1 ZINC001608105908 1351626138 /nfs/dbraw/zinc/62/61/38/1351626138.db2.gz LHDZGPICGYJEEV-MRXNPFEDSA-N -1 1 329.400 2.112 20 0 EEADMM Nc1c(NS(=O)(=O)c2cnc3ccccc3c2)cccc1C(=O)[O-] ZINC001608272124 1351660111 /nfs/dbraw/zinc/66/01/11/1351660111.db2.gz JQJFNOSJTXUICW-UHFFFAOYSA-N -1 1 343.364 2.316 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)n[n-]1 ZINC001309003503 1331613504 /nfs/dbraw/zinc/61/35/04/1331613504.db2.gz BQZBWXNJMOOPSZ-UHFFFAOYSA-N -1 1 338.385 2.396 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)c2ccccc21 ZINC001608644351 1351732183 /nfs/dbraw/zinc/73/21/83/1351732183.db2.gz ONYPJSGETCRIRD-AWEZNQCLSA-N -1 1 334.335 2.300 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC001608698062 1351744486 /nfs/dbraw/zinc/74/44/86/1351744486.db2.gz GOYCKHONSDVUKJ-UHFFFAOYSA-N -1 1 330.428 2.021 20 0 EEADMM O=C([O-])CCCCCCNC(=O)CSc1n[nH]c(=S)s1 ZINC001608710660 1351746323 /nfs/dbraw/zinc/74/63/23/1351746323.db2.gz JBBUGPDSTPTDDK-UHFFFAOYSA-N -1 1 335.476 2.070 20 0 EEADMM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC001608751667 1351756059 /nfs/dbraw/zinc/75/60/59/1351756059.db2.gz VXWOIVKOVYIHAA-HNNXBMFYSA-N -1 1 346.358 2.251 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2nnc(C3CC3)s2)C[C@H]1c1ccc(O)cc1 ZINC001608809329 1351769014 /nfs/dbraw/zinc/76/90/14/1351769014.db2.gz NCVAMQRLKDRFCI-UONOGXRCSA-N -1 1 345.424 2.421 20 0 EEADMM O=C([O-])c1ccc(CN[C@@H]2CCCN(c3cccnc3)C2=O)cc1F ZINC001608886286 1351787038 /nfs/dbraw/zinc/78/70/38/1351787038.db2.gz NWHTXLUTCWVRIH-MRXNPFEDSA-N -1 1 343.358 2.204 20 0 EEADMM O=C([O-])c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC001608886405 1351787285 /nfs/dbraw/zinc/78/72/85/1351787285.db2.gz QLNPOXSBUQJCQX-QGZVFWFLSA-N -1 1 342.370 2.415 20 0 EEADMM O=C([O-])c1cccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001608931379 1351797022 /nfs/dbraw/zinc/79/70/22/1351797022.db2.gz IJWNRPXSICQUJO-NEPJUHHUSA-N -1 1 331.290 2.470 20 0 EEADMM O=C([O-])c1cccc(OCC[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001608937352 1351798637 /nfs/dbraw/zinc/79/86/37/1351798637.db2.gz RMIOJWNMFXNUOI-QGZVFWFLSA-N -1 1 341.363 2.448 20 0 EEADMM CC(C)[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC001609104401 1351844906 /nfs/dbraw/zinc/84/49/06/1351844906.db2.gz NJEYJDNTRKMHBO-AWEZNQCLSA-N -1 1 335.375 2.342 20 0 EEADMM CC(C)[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC001609104401 1351844913 /nfs/dbraw/zinc/84/49/13/1351844913.db2.gz NJEYJDNTRKMHBO-AWEZNQCLSA-N -1 1 335.375 2.342 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1nnc2n1CCC2 ZINC001609126161 1351852621 /nfs/dbraw/zinc/85/26/21/1351852621.db2.gz IISVBVNSSJPAAI-JTQLQIEISA-N -1 1 347.386 2.126 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1nnc2n1CCC2 ZINC001609126161 1351852623 /nfs/dbraw/zinc/85/26/23/1351852623.db2.gz IISVBVNSSJPAAI-JTQLQIEISA-N -1 1 347.386 2.126 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1nccn1-c1ccccc1 ZINC001609126566 1351853195 /nfs/dbraw/zinc/85/31/95/1351853195.db2.gz ZIBIEVWPECOFRL-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1nccn1-c1ccccc1 ZINC001609126566 1351853198 /nfs/dbraw/zinc/85/31/98/1351853198.db2.gz ZIBIEVWPECOFRL-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001609154986 1351865794 /nfs/dbraw/zinc/86/57/94/1351865794.db2.gz KJLMEDXLWDPKDU-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001609154986 1351865796 /nfs/dbraw/zinc/86/57/96/1351865796.db2.gz KJLMEDXLWDPKDU-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@@H](C)N(Cc1ccccc1)Cn1cccc(-c2nnn[n-]2)c1=O ZINC001609184634 1351880808 /nfs/dbraw/zinc/88/08/08/1351880808.db2.gz JRWNCOKOXSHBNQ-CQSZACIVSA-N -1 1 338.415 2.287 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nnn[n-]3)oc2C)C[C@@H]1OC ZINC001609197376 1351885879 /nfs/dbraw/zinc/88/58/79/1351885879.db2.gz ZIEHXYZIRIOQJJ-OLZOCXBDSA-N -1 1 333.392 2.092 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cc(-c3nn[n-]n3)oc2C)C[C@@H]1OC ZINC001609197376 1351885885 /nfs/dbraw/zinc/88/58/85/1351885885.db2.gz ZIEHXYZIRIOQJJ-OLZOCXBDSA-N -1 1 333.392 2.092 20 0 EEADMM CCO[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC001609236706 1351903870 /nfs/dbraw/zinc/90/38/70/1351903870.db2.gz APULBMDUUCUKSH-GFCCVEGCSA-N -1 1 333.392 2.175 20 0 EEADMM CCO[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC001609236706 1351903872 /nfs/dbraw/zinc/90/38/72/1351903872.db2.gz APULBMDUUCUKSH-GFCCVEGCSA-N -1 1 333.392 2.175 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2ccc(-c3nn[nH]n3)c(F)c2)n1 ZINC001609251106 1351909104 /nfs/dbraw/zinc/90/91/04/1351909104.db2.gz TZLVIFYTXGUDIW-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM CN(Cc1cccc(Br)c1)c1cnc(-c2nnn[n-]2)cn1 ZINC001609280142 1351920939 /nfs/dbraw/zinc/92/09/39/1351920939.db2.gz BORIFZZVIYPZSG-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1cccc(Br)c1)c1cnc(-c2nn[n-]n2)cn1 ZINC001609280142 1351920941 /nfs/dbraw/zinc/92/09/41/1351920941.db2.gz BORIFZZVIYPZSG-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CO[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001609310808 1351928048 /nfs/dbraw/zinc/92/80/48/1351928048.db2.gz NDXRLASAVKPLLB-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM CO[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001609310808 1351928049 /nfs/dbraw/zinc/92/80/49/1351928049.db2.gz NDXRLASAVKPLLB-ZDUSSCGKSA-N -1 1 345.794 2.418 20 0 EEADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(F)c1[O-])C(C)(C)O ZINC001329102043 1334586523 /nfs/dbraw/zinc/58/65/23/1334586523.db2.gz AHMRQVAYGQLODN-GFCCVEGCSA-N -1 1 342.367 2.134 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c2cccnc12 ZINC001609357902 1351945963 /nfs/dbraw/zinc/94/59/63/1351945963.db2.gz JOZZTGZFISRGMM-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM COc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c2cccnc12 ZINC001609357902 1351945964 /nfs/dbraw/zinc/94/59/64/1351945964.db2.gz JOZZTGZFISRGMM-UHFFFAOYSA-N -1 1 347.338 2.071 20 0 EEADMM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609414058 1351966768 /nfs/dbraw/zinc/96/67/68/1351966768.db2.gz MUSHEZRGBAQGAJ-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001609428880 1351972733 /nfs/dbraw/zinc/97/27/33/1351972733.db2.gz CVIGJCYLQGXNAU-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC001609428880 1351972736 /nfs/dbraw/zinc/97/27/36/1351972736.db2.gz CVIGJCYLQGXNAU-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1nnn[n-]1 ZINC001609473106 1351990579 /nfs/dbraw/zinc/99/05/79/1351990579.db2.gz IRLKKTGBNYVHGR-LLVKDONJSA-N -1 1 330.783 2.370 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2cc[nH]n2)nc1-c1nn[n-]n1 ZINC001609473106 1351990581 /nfs/dbraw/zinc/99/05/81/1351990581.db2.gz IRLKKTGBNYVHGR-LLVKDONJSA-N -1 1 330.783 2.370 20 0 EEADMM O=C(CCC1CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609521758 1352003841 /nfs/dbraw/zinc/00/38/41/1352003841.db2.gz KCKPLYDFMQYCLT-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM O=C(CCC1CCCC1)Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609521587 1352003899 /nfs/dbraw/zinc/00/38/99/1352003899.db2.gz AICJNPRFBJECIP-UHFFFAOYSA-N -1 1 341.415 2.057 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574355 1352021098 /nfs/dbraw/zinc/02/10/98/1352021098.db2.gz SRYMUKOEPOXOEE-UHFFFAOYSA-N -1 1 339.355 2.025 20 0 EEADMM O=C(OCCCOCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574355 1352021102 /nfs/dbraw/zinc/02/11/02/1352021102.db2.gz SRYMUKOEPOXOEE-UHFFFAOYSA-N -1 1 339.355 2.025 20 0 EEADMM O=C(OCc1nnc(C2CC2)s1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609578840 1352024790 /nfs/dbraw/zinc/02/47/90/1352024790.db2.gz HMKGISKPFFLSJA-UHFFFAOYSA-N -1 1 346.347 2.092 20 0 EEADMM O=C(OCc1nnc(C2CC2)s1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609578840 1352024793 /nfs/dbraw/zinc/02/47/93/1352024793.db2.gz HMKGISKPFFLSJA-UHFFFAOYSA-N -1 1 346.347 2.092 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@H]1CCc3ccccc3C1)CCC2 ZINC001609604414 1352032710 /nfs/dbraw/zinc/03/27/10/1352032710.db2.gz NYQOSPQHPPQPBY-ZDUSSCGKSA-N -1 1 347.422 2.322 20 0 EEADMM CC(=O)c1ccccc1NS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001609630439 1352045645 /nfs/dbraw/zinc/04/56/45/1352045645.db2.gz JBAYFGOFTKSFEJ-UHFFFAOYSA-N -1 1 325.386 2.276 20 0 EEADMM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)C1 ZINC001335528869 1336390557 /nfs/dbraw/zinc/39/05/57/1336390557.db2.gz JSCMLOWCAQHNBO-DTWKUNHWSA-N -1 1 325.217 2.234 20 0 EEADMM C[C@@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)c1cc(C(=O)[O-])cs1 ZINC001609777621 1352083112 /nfs/dbraw/zinc/08/31/12/1352083112.db2.gz CKRQGPMVIGUVAK-SECBINFHSA-N -1 1 329.385 2.477 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCOC2(CCCC2)C1 ZINC001338338924 1336843798 /nfs/dbraw/zinc/84/37/98/1336843798.db2.gz PWKDEDNHHCHKLC-UHFFFAOYSA-N -1 1 349.822 2.386 20 0 EEADMM C[C@]1(Cc2ccccc2)CCN(CN2CCC[C@H](C(=O)[O-])C2)C1=O ZINC001609821347 1352094123 /nfs/dbraw/zinc/09/41/23/1352094123.db2.gz FIFDXEUDNDVWIP-QFBILLFUSA-N -1 1 330.428 2.222 20 0 EEADMM C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2F)CCN1CCC(=O)[O-] ZINC001609864450 1352105388 /nfs/dbraw/zinc/10/53/88/1352105388.db2.gz NSWAEWMQJRPUJU-LLVKDONJSA-N -1 1 342.798 2.029 20 0 EEADMM CC[C@@H](C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1 ZINC001609884553 1352111055 /nfs/dbraw/zinc/11/10/55/1352111055.db2.gz HZJOJERADUDVPV-XJKSGUPXSA-N -1 1 336.407 2.327 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCCCc2ccncn2)c(=O)[n-]1 ZINC001344917358 1337414776 /nfs/dbraw/zinc/41/47/76/1337414776.db2.gz RCWNVAANXYIPFL-UHFFFAOYSA-N -1 1 348.428 2.111 20 0 EEADMM CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C[C@@H]1C ZINC001610005447 1352138936 /nfs/dbraw/zinc/13/89/36/1352138936.db2.gz GXMFTTNTKBPFFE-LBPRGKRZSA-N -1 1 334.420 2.009 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001349331919 1337617636 /nfs/dbraw/zinc/61/76/36/1337617636.db2.gz VUEHHSXCOHIQTP-VHSXEESVSA-N -1 1 325.434 2.103 20 0 EEADMM O=C(NCc1nnc(C2CC2)s1)c1c[nH]c2ccccc2c1=O ZINC001349719132 1337642379 /nfs/dbraw/zinc/64/23/79/1337642379.db2.gz ZLJIHFBUNWFRAX-UHFFFAOYSA-N -1 1 326.381 2.187 20 0 EEADMM CCN1C(=O)N=NC1C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001610083899 1352158579 /nfs/dbraw/zinc/15/85/79/1352158579.db2.gz UACYHSOUTWHGLF-UHFFFAOYSA-N -1 1 348.378 2.221 20 0 EEADMM CCN1C(=O)N=NC1S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001610085450 1352159096 /nfs/dbraw/zinc/15/90/96/1352159096.db2.gz CNJJHKZKCSFDKA-SNVBAGLBSA-N -1 1 327.793 2.445 20 0 EEADMM CC[C@@](O)(CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000847093279 1337865979 /nfs/dbraw/zinc/86/59/79/1337865979.db2.gz WDYVMMGMCVWWTR-SCLBCKFNSA-N -1 1 345.399 2.169 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@@H](NCC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])C1 ZINC001610234930 1352191761 /nfs/dbraw/zinc/19/17/61/1352191761.db2.gz MAOMTVAXGOMXJA-QGPMSJSTSA-N -1 1 348.443 2.490 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC001610288179 1352200309 /nfs/dbraw/zinc/20/03/09/1352200309.db2.gz FQPQCRNLJHQCGM-UHFFFAOYSA-N -1 1 349.364 2.397 20 0 EEADMM COc1ncc(CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)c(C)n1 ZINC001610370364 1352212419 /nfs/dbraw/zinc/21/24/19/1352212419.db2.gz BKVFWUDEBVKWCL-QGZVFWFLSA-N -1 1 333.363 2.412 20 0 EEADMM Cc1nc2cccc(C(=O)NC(C)(C)c3cc(C(=O)[O-])on3)c2[nH]1 ZINC001610559401 1352244982 /nfs/dbraw/zinc/24/49/82/1352244982.db2.gz WHIAQGSAGPUHPA-UHFFFAOYSA-N -1 1 328.328 2.223 20 0 EEADMM Cn1cc(NS(=O)(=O)c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC001610605478 1352252784 /nfs/dbraw/zinc/25/27/84/1352252784.db2.gz HCABWSZXFYAWQJ-UHFFFAOYSA-N -1 1 337.382 2.134 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(c3nnc4n3CCC4)CC2)c(F)c1 ZINC001610825469 1352281054 /nfs/dbraw/zinc/28/10/54/1352281054.db2.gz AYJPEBLOCDZMPH-UHFFFAOYSA-N -1 1 344.390 2.441 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)N[C@H](c2ccccc2)C(F)F)c1 ZINC001610867990 1352287569 /nfs/dbraw/zinc/28/75/69/1352287569.db2.gz QLCJRVUGFJYXCV-LLVKDONJSA-N -1 1 331.296 2.263 20 0 EEADMM Cc1cc(=O)c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cn1C ZINC001611262701 1352297498 /nfs/dbraw/zinc/29/74/98/1352297498.db2.gz ILOJFIXDQOBILW-UHFFFAOYSA-N -1 1 349.350 2.477 20 0 EEADMM O=C(CCCF)N[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001429994799 1340084100 /nfs/dbraw/zinc/08/41/00/1340084100.db2.gz SAPCJGOIKKIEEY-AWEZNQCLSA-N -1 1 345.374 2.124 20 0 EEADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)c([O-])c1 ZINC001433617994 1341639287 /nfs/dbraw/zinc/63/92/87/1341639287.db2.gz ZVYZXRWAEGBAJM-UHFFFAOYSA-N -1 1 344.342 2.256 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2cnc(SC)[n-]c2=O)[C@H](C)[C@H]1OC ZINC001433866369 1341708347 /nfs/dbraw/zinc/70/83/47/1341708347.db2.gz HITWKUJYIWRISD-MVWJERBFSA-N -1 1 339.461 2.474 20 0 EEADMM COc1cc(Cl)cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001470630201 1342095199 /nfs/dbraw/zinc/09/51/99/1342095199.db2.gz VJUGQRUCYDSXNF-CQSZACIVSA-N -1 1 343.774 2.381 20 0 EEADMM O=C(NC[C@H](O)c1ccsc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130643 1342541694 /nfs/dbraw/zinc/54/16/94/1342541694.db2.gz JOWWPNVUTQJOIQ-AWEZNQCLSA-N -1 1 344.396 2.495 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCCCC2(F)F)co1 ZINC000835639520 1372644001 /nfs/dbraw/zinc/64/40/01/1372644001.db2.gz UZYSXGIWFAKRMT-JTQLQIEISA-N -1 1 337.344 2.170 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001576398264 1344009656 /nfs/dbraw/zinc/00/96/56/1344009656.db2.gz FUKSKNRFSBLPEH-QPUJVOFHSA-N -1 1 327.369 2.180 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001576398264 1344009661 /nfs/dbraw/zinc/00/96/61/1344009661.db2.gz FUKSKNRFSBLPEH-QPUJVOFHSA-N -1 1 327.369 2.180 20 0 EEADMM CC[C@H](CNC(=O)CCC1CC1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001576804230 1344062971 /nfs/dbraw/zinc/06/29/71/1344062971.db2.gz BDKHZYLNBSSZRS-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CCOC(=O)c1ccc(Sc2ncncc2-c2nnn[n-]2)c(F)c1 ZINC001578253225 1344255289 /nfs/dbraw/zinc/25/52/89/1344255289.db2.gz MEFZEIXARCYPGB-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM CCOC(=O)c1ccc(Sc2ncncc2-c2nn[n-]n2)c(F)c1 ZINC001578253225 1344255294 /nfs/dbraw/zinc/25/52/94/1344255294.db2.gz MEFZEIXARCYPGB-UHFFFAOYSA-N -1 1 346.347 2.124 20 0 EEADMM COc1cc(CCNc2nc(-c3nn[n-]n3)c(Cl)s2)ccn1 ZINC001579923457 1344432585 /nfs/dbraw/zinc/43/25/85/1344432585.db2.gz SFIMQCAQAOFTMG-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c1F ZINC001580052558 1344459791 /nfs/dbraw/zinc/45/97/91/1344459791.db2.gz ANWULRKUJLBPOP-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM COc1cccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c1F ZINC001580052558 1344459795 /nfs/dbraw/zinc/45/97/95/1344459795.db2.gz ANWULRKUJLBPOP-UHFFFAOYSA-N -1 1 348.363 2.056 20 0 EEADMM COc1ncc(NC(=O)NCC2(CC(C)C)CC2)cc1-c1nn[n-]n1 ZINC001580137374 1344479974 /nfs/dbraw/zinc/47/99/74/1344479974.db2.gz XZBVSQGBPQDAHZ-UHFFFAOYSA-N -1 1 345.407 2.218 20 0 EEADMM Cc1ccc(-n2cc(Nc3ccnc(-c4nnn[n-]4)c3)cn2)c(C)c1 ZINC001581137927 1344592073 /nfs/dbraw/zinc/59/20/73/1344592073.db2.gz PDKFUPHOHTUYMA-UHFFFAOYSA-N -1 1 332.371 2.230 20 0 EEADMM Cc1ccc(-n2cc(Nc3ccnc(-c4nn[n-]n4)c3)cn2)c(C)c1 ZINC001581137927 1344592079 /nfs/dbraw/zinc/59/20/79/1344592079.db2.gz PDKFUPHOHTUYMA-UHFFFAOYSA-N -1 1 332.371 2.230 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CSc1cccc(F)c1-c1nn[n-]n1 ZINC001581395757 1344623316 /nfs/dbraw/zinc/62/33/16/1344623316.db2.gz JYEXVFQZUSXQMP-UHFFFAOYSA-N -1 1 347.379 2.077 20 0 EEADMM O=C(NCc1cc(O)ccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001582545226 1344759700 /nfs/dbraw/zinc/75/97/00/1344759700.db2.gz GUVIEGRTFFMQRC-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1cc(O)ccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC001582545226 1344759703 /nfs/dbraw/zinc/75/97/03/1344759703.db2.gz GUVIEGRTFFMQRC-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(Nc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001582652846 1344778395 /nfs/dbraw/zinc/77/83/95/1344778395.db2.gz AWXKYPWHXQWXNR-UHFFFAOYSA-N -1 1 325.115 2.414 20 0 EEADMM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1coc(-c2nnn[n-]2)c1 ZINC001582655095 1344779290 /nfs/dbraw/zinc/77/92/90/1344779290.db2.gz VOFOJZJSUSLIOM-UHFFFAOYSA-N -1 1 348.702 2.199 20 0 EEADMM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1coc(-c2nn[n-]n2)c1 ZINC001582655095 1344779294 /nfs/dbraw/zinc/77/92/94/1344779294.db2.gz VOFOJZJSUSLIOM-UHFFFAOYSA-N -1 1 348.702 2.199 20 0 EEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001588769367 1348932874 /nfs/dbraw/zinc/93/28/74/1348932874.db2.gz UCLGPRDOGVJLKW-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001588769367 1348932877 /nfs/dbraw/zinc/93/28/77/1348932877.db2.gz UCLGPRDOGVJLKW-VQHVLOKHSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC001588769365 1348933321 /nfs/dbraw/zinc/93/33/21/1348933321.db2.gz UCLGPRDOGVJLKW-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC001588769365 1348933324 /nfs/dbraw/zinc/93/33/24/1348933324.db2.gz UCLGPRDOGVJLKW-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM CC(C)(C)OC(=O)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589155720 1348967151 /nfs/dbraw/zinc/96/71/51/1348967151.db2.gz HSNBWJOGYKPDCD-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)(C)OC(=O)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589155720 1348967155 /nfs/dbraw/zinc/96/71/55/1348967155.db2.gz HSNBWJOGYKPDCD-UHFFFAOYSA-N -1 1 330.801 2.120 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)C12CCC2 ZINC001589193395 1348968433 /nfs/dbraw/zinc/96/84/33/1348968433.db2.gz RZIUSLBUTXHYIL-NWDGAFQWSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1ncc[nH]1 ZINC001589327068 1348984407 /nfs/dbraw/zinc/98/44/07/1348984407.db2.gz OUOFNWYPMOXWKZ-UHFFFAOYSA-N -1 1 338.297 2.351 20 0 EEADMM CC(C)(Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1ncc[nH]1 ZINC001589327068 1348984410 /nfs/dbraw/zinc/98/44/10/1348984410.db2.gz OUOFNWYPMOXWKZ-UHFFFAOYSA-N -1 1 338.297 2.351 20 0 EEADMM CC(C)(O)CON=c1c(-c2nn[n-]n2)c[nH]c2c(Cl)cccc21 ZINC001589338683 1348985264 /nfs/dbraw/zinc/98/52/64/1348985264.db2.gz IWMOWKOJHBKKBF-UHFFFAOYSA-N -1 1 334.767 2.183 20 0 EEADMM CC(C)[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCO1 ZINC001589499986 1348997632 /nfs/dbraw/zinc/99/76/32/1348997632.db2.gz VJKWINZRVLTOPJ-SMDDNHRTSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCO1 ZINC001589499986 1348997634 /nfs/dbraw/zinc/99/76/34/1348997634.db2.gz VJKWINZRVLTOPJ-SMDDNHRTSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)N1CCC[C@H](Sc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001589715777 1349023492 /nfs/dbraw/zinc/02/34/92/1349023492.db2.gz ZMOIHAJUHHNMJJ-LBPRGKRZSA-N -1 1 335.408 2.497 20 0 EEADMM C[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001589938539 1349070367 /nfs/dbraw/zinc/07/03/67/1349070367.db2.gz KKIWQEXJUPUGSS-RXMQYKEDSA-N -1 1 327.801 2.287 20 0 EEADMM C[C@H](OC(=O)c1ccnc(-c2nnn[n-]2)c1)C(Cl)(Cl)Cl ZINC001590014859 1349107776 /nfs/dbraw/zinc/10/77/76/1349107776.db2.gz UIEVZINUZKIMJD-YFKPBYRVSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@H](OC(=O)c1ccnc(-c2nn[n-]n2)c1)C(Cl)(Cl)Cl ZINC001590014859 1349107779 /nfs/dbraw/zinc/10/77/79/1349107779.db2.gz UIEVZINUZKIMJD-YFKPBYRVSA-N -1 1 336.566 2.177 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590074375 1349138210 /nfs/dbraw/zinc/13/82/10/1349138210.db2.gz SZFFUMHNOJMDQM-LLVKDONJSA-N -1 1 331.323 2.343 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590074375 1349138216 /nfs/dbraw/zinc/13/82/16/1349138216.db2.gz SZFFUMHNOJMDQM-LLVKDONJSA-N -1 1 331.323 2.343 20 0 EEADMM CC1(OC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CCC1 ZINC001590150219 1349175885 /nfs/dbraw/zinc/17/58/85/1349175885.db2.gz NNDDYIJMKSAUSG-UHFFFAOYSA-N -1 1 327.266 2.380 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590181405 1349186290 /nfs/dbraw/zinc/18/62/90/1349186290.db2.gz PKMXJDFOGZJODD-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590181405 1349186291 /nfs/dbraw/zinc/18/62/91/1349186291.db2.gz PKMXJDFOGZJODD-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590215418 1349203613 /nfs/dbraw/zinc/20/36/13/1349203613.db2.gz WNTHGAMPMGOTDA-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590215418 1349203621 /nfs/dbraw/zinc/20/36/21/1349203621.db2.gz WNTHGAMPMGOTDA-JQWIXIFHSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590250047 1349226105 /nfs/dbraw/zinc/22/61/05/1349226105.db2.gz NOGBNVKXPPQZEW-PWSUYJOCSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@@H]12 ZINC001590270241 1349241056 /nfs/dbraw/zinc/24/10/56/1349241056.db2.gz QQZHAPIQQNAQIP-XUJVJEKNSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC001590270241 1349241065 /nfs/dbraw/zinc/24/10/65/1349241065.db2.gz QQZHAPIQQNAQIP-XUJVJEKNSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@H]1CCc2nc(NC(=O)c3csc(-c4nn[n-]n4)c3)ncc2C1 ZINC001590280656 1349246941 /nfs/dbraw/zinc/24/69/41/1349246941.db2.gz ODRWBLQUPDNQKW-QMMMGPOBSA-N -1 1 341.400 2.095 20 0 EEADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@H]1C(=O)OC(C)(C)C ZINC001590313110 1349259846 /nfs/dbraw/zinc/25/98/46/1349259846.db2.gz BTBLDZNFOGDIFA-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@H]1C(=O)OC(C)(C)C ZINC001590313110 1349259854 /nfs/dbraw/zinc/25/98/54/1349259854.db2.gz BTBLDZNFOGDIFA-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1COc2ccccc2CN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590329391 1349267884 /nfs/dbraw/zinc/26/78/84/1349267884.db2.gz NGOQIDJTOCWFGX-JTQLQIEISA-N -1 1 341.396 2.352 20 0 EEADMM CC[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1c(C)noc1C ZINC001590460208 1349337562 /nfs/dbraw/zinc/33/75/62/1349337562.db2.gz ZCQKYJQTDQJBOI-JTQLQIEISA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1c(C)noc1C ZINC001590460208 1349337572 /nfs/dbraw/zinc/33/75/72/1349337572.db2.gz ZCQKYJQTDQJBOI-JTQLQIEISA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590474893 1349347136 /nfs/dbraw/zinc/34/71/36/1349347136.db2.gz HDCOHPLANAATKQ-ZDUSSCGKSA-N -1 1 344.341 2.466 20 0 EEADMM CC[C@](O)(CCC(F)(F)F)CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590474893 1349347145 /nfs/dbraw/zinc/34/71/45/1349347145.db2.gz HDCOHPLANAATKQ-ZDUSSCGKSA-N -1 1 344.341 2.466 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001590483049 1349351234 /nfs/dbraw/zinc/35/12/34/1349351234.db2.gz JOUCQJIYEJWHMX-CYBMUJFWSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@H](c1ccccc1OC)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001590483049 1349351239 /nfs/dbraw/zinc/35/12/39/1349351239.db2.gz JOUCQJIYEJWHMX-CYBMUJFWSA-N -1 1 325.376 2.253 20 0 EEADMM COC(=O)[C@@](C)(NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001591227945 1349450032 /nfs/dbraw/zinc/45/00/32/1349450032.db2.gz FYGKEJWBSWHHQX-INIZCTEOSA-N -1 1 343.412 2.106 20 0 EEADMM COC1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCCCC1 ZINC001591337135 1349463264 /nfs/dbraw/zinc/46/32/64/1349463264.db2.gz LCDROJDSVRPUFO-UHFFFAOYSA-N -1 1 331.376 2.044 20 0 EEADMM COC1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCCCC1 ZINC001591337135 1349463275 /nfs/dbraw/zinc/46/32/75/1349463275.db2.gz LCDROJDSVRPUFO-UHFFFAOYSA-N -1 1 331.376 2.044 20 0 EEADMM COCC[C@H](Cc1ccco1)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591399108 1349482414 /nfs/dbraw/zinc/48/24/14/1349482414.db2.gz ONYAGVXZFHGFDF-SNVBAGLBSA-N -1 1 334.405 2.284 20 0 EEADMM CSc1nnc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001591721210 1349534922 /nfs/dbraw/zinc/53/49/22/1349534922.db2.gz NHMCWCIGDCGOPW-UHFFFAOYSA-N -1 1 346.854 2.162 20 0 EEADMM Cc1cc(Br)ccc1CNc1cncc(-c2nnn[n-]2)n1 ZINC001591906203 1349554897 /nfs/dbraw/zinc/55/48/97/1349554897.db2.gz UJVHTCDLTKHVET-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1cc(Br)ccc1CNc1cncc(-c2nn[n-]n2)n1 ZINC001591906203 1349554900 /nfs/dbraw/zinc/55/49/00/1349554900.db2.gz UJVHTCDLTKHVET-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1ccc(-c2nc(CNc3ncncc3-c3nn[n-]n3)co2)cc1 ZINC001592074129 1349589046 /nfs/dbraw/zinc/58/90/46/1349589046.db2.gz WDAOHOYOPHAKKU-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1ccc(S(=O)(=O)Oc2cccc(C)c2F)c(-c2nn[n-]n2)c1 ZINC001592195711 1349602955 /nfs/dbraw/zinc/60/29/55/1349602955.db2.gz NVOHRMRIAUNLAP-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1F ZINC001592196078 1349603476 /nfs/dbraw/zinc/60/34/76/1349603476.db2.gz YPCICRJKSKDJQY-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1onc(CC(=O)Nc2nccc3ccc(C)cc32)c1-c1nnn[n-]1 ZINC001592206414 1349608398 /nfs/dbraw/zinc/60/83/98/1349608398.db2.gz JWIFKHQRDLXYDE-UHFFFAOYSA-N -1 1 349.354 2.201 20 0 EEADMM Cc1onc(CC(=O)Nc2nccc3ccc(C)cc32)c1-c1nn[n-]n1 ZINC001592206414 1349608405 /nfs/dbraw/zinc/60/84/05/1349608405.db2.gz JWIFKHQRDLXYDE-UHFFFAOYSA-N -1 1 349.354 2.201 20 0 EEADMM Cc1csc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592313860 1349619963 /nfs/dbraw/zinc/61/99/63/1349619963.db2.gz XJYNNZVXFPSFCB-QMMMGPOBSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(SC3CC3)cc2)c1-c1nn[n-]n1 ZINC001592332231 1349621933 /nfs/dbraw/zinc/62/19/33/1349621933.db2.gz CEWOZTIPLRKPJJ-UHFFFAOYSA-N -1 1 341.400 2.405 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383344 1349626037 /nfs/dbraw/zinc/62/60/37/1349626037.db2.gz XWMSTNJVQGPNGU-HIFRSBDPSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383344 1349626039 /nfs/dbraw/zinc/62/60/39/1349626039.db2.gz XWMSTNJVQGPNGU-HIFRSBDPSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3sccc3c2)c1-c1nnn[n-]1 ZINC001592433344 1349631802 /nfs/dbraw/zinc/63/18/02/1349631802.db2.gz ZYFIBRNGRVQYMV-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3sccc3c2)c1-c1nn[n-]n1 ZINC001592433344 1349631804 /nfs/dbraw/zinc/63/18/04/1349631804.db2.gz ZYFIBRNGRVQYMV-UHFFFAOYSA-N -1 1 339.384 2.376 20 0 EEADMM Cc1nsc(N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1-c1nn[n-]n1 ZINC001592476546 1349635964 /nfs/dbraw/zinc/63/59/64/1349635964.db2.gz SMKZQUBIGNFTNJ-NWDGAFQWSA-N -1 1 334.449 2.009 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001592496557 1349637141 /nfs/dbraw/zinc/63/71/41/1349637141.db2.gz GQLKGQZUPYQVCS-PBYNLASCSA-N -1 1 325.372 2.052 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC001592496557 1349637142 /nfs/dbraw/zinc/63/71/42/1349637142.db2.gz GQLKGQZUPYQVCS-PBYNLASCSA-N -1 1 325.372 2.052 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592510312 1349643479 /nfs/dbraw/zinc/64/34/79/1349643479.db2.gz KPISWOJKKLCZKQ-UHFFFAOYSA-N -1 1 337.339 2.487 20 0 EEADMM Cc1oc2ccccc2c1CCNC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592510312 1349643480 /nfs/dbraw/zinc/64/34/80/1349643480.db2.gz KPISWOJKKLCZKQ-UHFFFAOYSA-N -1 1 337.339 2.487 20 0 EEADMM Cc1scc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001592521838 1349645070 /nfs/dbraw/zinc/64/50/70/1349645070.db2.gz UXEIZLALJNEJNM-UHFFFAOYSA-N -1 1 349.445 2.001 20 0 EEADMM Cc1scc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001592521838 1349645074 /nfs/dbraw/zinc/64/50/74/1349645074.db2.gz UXEIZLALJNEJNM-UHFFFAOYSA-N -1 1 349.445 2.001 20 0 EEADMM Clc1ccc(C2(CNc3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001592528168 1349649219 /nfs/dbraw/zinc/64/92/19/1349649219.db2.gz LUUVHZKSZPMSRD-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc(C2(CNc3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001592528168 1349649220 /nfs/dbraw/zinc/64/92/20/1349649220.db2.gz LUUVHZKSZPMSRD-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001592533476 1349649982 /nfs/dbraw/zinc/64/99/82/1349649982.db2.gz NMBMXOXHOFTOAG-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001592533476 1349649983 /nfs/dbraw/zinc/64/99/83/1349649983.db2.gz NMBMXOXHOFTOAG-GDLCADMTSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1sc(N2CCC[C@H]2[C@@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001592541580 1349653820 /nfs/dbraw/zinc/65/38/20/1349653820.db2.gz FJDKDCFVXLJAAX-YUMQZZPRSA-N -1 1 326.813 2.124 20 0 EEADMM Cn1nc(-c2ccco2)cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001592592043 1349663635 /nfs/dbraw/zinc/66/36/35/1349663635.db2.gz MWMKWVNTMOXUDA-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM Cn1nc(-c2ccco2)cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001592592043 1349663640 /nfs/dbraw/zinc/66/36/40/1349663640.db2.gz MWMKWVNTMOXUDA-UHFFFAOYSA-N -1 1 341.356 2.174 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(-n2cc(C3CCC3)nn2)c1 ZINC001592621529 1349675577 /nfs/dbraw/zinc/67/55/77/1349675577.db2.gz OZZLMTOFVQEZLA-UHFFFAOYSA-N -1 1 336.281 2.129 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(-n2cc(C3CCC3)nn2)c1 ZINC001592621529 1349675579 /nfs/dbraw/zinc/67/55/79/1349675579.db2.gz OZZLMTOFVQEZLA-UHFFFAOYSA-N -1 1 336.281 2.129 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592631299 1349682059 /nfs/dbraw/zinc/68/20/59/1349682059.db2.gz WGUHWZWUNPCKBZ-LLVKDONJSA-N -1 1 331.286 2.187 20 0 EEADMM FC1(F)C[C@H]1Oc1ccc(Nc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592631299 1349682067 /nfs/dbraw/zinc/68/20/67/1349682067.db2.gz WGUHWZWUNPCKBZ-LLVKDONJSA-N -1 1 331.286 2.187 20 0 EEADMM Fc1cccc(OCc2nnc(C(F)(F)F)s2)c1-c1nnn[n-]1 ZINC001592658244 1349702698 /nfs/dbraw/zinc/70/26/98/1349702698.db2.gz NJQPAKWLMLJOTO-UHFFFAOYSA-N -1 1 346.269 2.455 20 0 EEADMM Fc1cccc(OCc2nnc(C(F)(F)F)s2)c1-c1nn[n-]n1 ZINC001592658244 1349702702 /nfs/dbraw/zinc/70/27/02/1349702702.db2.gz NJQPAKWLMLJOTO-UHFFFAOYSA-N -1 1 346.269 2.455 20 0 EEADMM O=C(N[C@H]1CCCc2cccnc21)c1csc(-c2nn[n-]n2)c1 ZINC001593183209 1349744281 /nfs/dbraw/zinc/74/42/81/1349744281.db2.gz ZWVYDILLTMLFFF-NSHDSACASA-N -1 1 326.385 2.131 20 0 EEADMM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593266023 1349756498 /nfs/dbraw/zinc/75/64/98/1349756498.db2.gz GIDREFDGXFNHCZ-UHFFFAOYSA-N -1 1 341.281 2.274 20 0 EEADMM O=C(OC[C@H]1CCOc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593286344 1349763760 /nfs/dbraw/zinc/76/37/60/1349763760.db2.gz IPGPGBWWTYMCIB-SNVBAGLBSA-N -1 1 326.312 2.183 20 0 EEADMM O=C(OCCCSC(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001593289283 1349765576 /nfs/dbraw/zinc/76/55/76/1349765576.db2.gz LPIYKFBXUUQURM-UHFFFAOYSA-N -1 1 333.295 2.062 20 0 EEADMM O=C(OCCCSC(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001593289283 1349765583 /nfs/dbraw/zinc/76/55/83/1349765583.db2.gz LPIYKFBXUUQURM-UHFFFAOYSA-N -1 1 333.295 2.062 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)c1cccc(N2CCCC2)c1 ZINC001593297268 1349770807 /nfs/dbraw/zinc/77/08/07/1349770807.db2.gz BYWNQWWGCNJTMW-UHFFFAOYSA-N -1 1 339.355 2.417 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)c1cccc(N2CCCC2)c1 ZINC001593297268 1349770811 /nfs/dbraw/zinc/77/08/11/1349770811.db2.gz BYWNQWWGCNJTMW-UHFFFAOYSA-N -1 1 339.355 2.417 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1csc(NC2CC2)n1 ZINC001593298422 1349771403 /nfs/dbraw/zinc/77/14/03/1349771403.db2.gz BCBJBELAOOOANH-UHFFFAOYSA-N -1 1 348.413 2.316 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1OCCc2ccccc21 ZINC001593299542 1349771647 /nfs/dbraw/zinc/77/16/47/1349771647.db2.gz WSIBDRHOGSZGOG-AWEZNQCLSA-N -1 1 342.380 2.285 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCN1c1ccccc1 ZINC001593297557 1349771793 /nfs/dbraw/zinc/77/17/93/1349771793.db2.gz LCVSLCQUCDAJQV-CQSZACIVSA-N -1 1 339.355 2.172 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1CCCN1c1ccccc1 ZINC001593297557 1349771799 /nfs/dbraw/zinc/77/17/99/1349771799.db2.gz LCVSLCQUCDAJQV-CQSZACIVSA-N -1 1 339.355 2.172 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C1(c2ccccc2F)CC1 ZINC001593301097 1349773182 /nfs/dbraw/zinc/77/31/82/1349773182.db2.gz AQPNCZKWUJQDOM-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C1(c2ccccc2F)CC1 ZINC001593301097 1349773187 /nfs/dbraw/zinc/77/31/87/1349773187.db2.gz AQPNCZKWUJQDOM-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C1CCCC12CCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC001593394607 1349797083 /nfs/dbraw/zinc/79/70/83/1349797083.db2.gz ZXPIFQXWHXPNLG-UHFFFAOYSA-N -1 1 332.795 2.255 20 0 EEADMM O=C1CCCC12CCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC001593394607 1349797086 /nfs/dbraw/zinc/79/70/86/1349797086.db2.gz ZXPIFQXWHXPNLG-UHFFFAOYSA-N -1 1 332.795 2.255 20 0 EEADMM O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nn[nH]n2)o1 ZINC001593447314 1349801349 /nfs/dbraw/zinc/80/13/49/1349801349.db2.gz OXNXRZULGFKHNB-UHFFFAOYSA-N -1 1 347.381 2.475 20 0 EEADMM OC1(C[C@@H]2CCCCN2c2cc(-c3nnn[n-]3)ncn2)CCCCC1 ZINC001593510320 1349825171 /nfs/dbraw/zinc/82/51/71/1349825171.db2.gz HTTPZJKVBXUZQI-ZDUSSCGKSA-N -1 1 343.435 2.101 20 0 EEADMM OC1(C[C@@H]2CCCCN2c2cc(-c3nn[n-]n3)ncn2)CCCCC1 ZINC001593510320 1349825175 /nfs/dbraw/zinc/82/51/75/1349825175.db2.gz HTTPZJKVBXUZQI-ZDUSSCGKSA-N -1 1 343.435 2.101 20 0 EEADMM OCCC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCCCC1 ZINC001593529070 1349831421 /nfs/dbraw/zinc/83/14/21/1349831421.db2.gz FCOQEINHZWMFQG-UHFFFAOYSA-N -1 1 343.435 2.279 20 0 EEADMM OCCC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCCCC1 ZINC001593529070 1349831424 /nfs/dbraw/zinc/83/14/24/1349831424.db2.gz FCOQEINHZWMFQG-UHFFFAOYSA-N -1 1 343.435 2.279 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@@H]2CCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543430 1349838452 /nfs/dbraw/zinc/83/84/52/1349838452.db2.gz OEOKWVNCBSSZHQ-ZFWWWQNUSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@@H]2CCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543430 1349838457 /nfs/dbraw/zinc/83/84/57/1349838457.db2.gz OEOKWVNCBSSZHQ-ZFWWWQNUSA-N -1 1 341.419 2.294 20 0 EEADMM c1nn(-c2ccccc2)c2c1CN(c1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001593569926 1349854290 /nfs/dbraw/zinc/85/42/90/1349854290.db2.gz KRFCIETYNVMUKS-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1nn(-c2ccccc2)c2c1CN(c1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001593569926 1349854295 /nfs/dbraw/zinc/85/42/95/1349854295.db2.gz KRFCIETYNVMUKS-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1cc(-c3nnn[n-]3)ncn1)CS2 ZINC001593579947 1349861200 /nfs/dbraw/zinc/86/12/00/1349861200.db2.gz QAOBMCQQXVOOFZ-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM c1ccc2c(c1)O[C@H](CCNc1cc(-c3nn[n-]n3)ncn1)CS2 ZINC001593579947 1349861204 /nfs/dbraw/zinc/86/12/04/1349861204.db2.gz QAOBMCQQXVOOFZ-SNVBAGLBSA-N -1 1 341.400 2.012 20 0 EEADMM Cc1c(C(=O)[O-])csc1NC(=O)c1cccc2nc(CO)[nH]c21 ZINC001600003165 1349953328 /nfs/dbraw/zinc/95/33/28/1349953328.db2.gz HWARREXBALLQPA-UHFFFAOYSA-N -1 1 331.353 2.376 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N1CCN[C@H](Cc2ccc(F)cc2)C1 ZINC001600130690 1349976235 /nfs/dbraw/zinc/97/62/35/1349976235.db2.gz PIOLUFVTECHJHU-CQSZACIVSA-N -1 1 346.358 2.082 20 0 EEADMM Cc1cc(C)c2c(c1)CCN([C@H]1CCCN(CCC(=O)[O-])C1=O)C2 ZINC001600164544 1349984022 /nfs/dbraw/zinc/98/40/22/1349984022.db2.gz GFZYCIYUFZUAPO-KRWDZBQOSA-N -1 1 330.428 2.127 20 0 EEADMM Cc1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001600183988 1349987707 /nfs/dbraw/zinc/98/77/07/1349987707.db2.gz SITMAPQQDGYQTM-OAHLLOKOSA-N -1 1 349.412 2.332 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cnc3n2CCCC3)cc(C(=O)[O-])c1 ZINC001600283849 1350010585 /nfs/dbraw/zinc/01/05/85/1350010585.db2.gz FZTLYDWJZTWEPL-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1ccc(C)c(CN(C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001600388039 1350037559 /nfs/dbraw/zinc/03/75/59/1350037559.db2.gz WYGLZHZXXHFRKO-OAHLLOKOSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1ccc(N2CCN(Cc3ccc(O)cc3)CC2)nc1C(=O)[O-] ZINC001600435427 1350050867 /nfs/dbraw/zinc/05/08/67/1350050867.db2.gz HWMBACLSYJVGRD-UHFFFAOYSA-N -1 1 327.384 2.116 20 0 EEADMM Cc1ccc(NC(=O)CN[C@H](Cc2ccccc2)C(=O)[O-])c(F)c1 ZINC001600448910 1350054384 /nfs/dbraw/zinc/05/43/84/1350054384.db2.gz XOZBJWLTRUIOLO-MRXNPFEDSA-N -1 1 330.359 2.358 20 0 EEADMM Cc1ccccc1OCCN(C)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001600586218 1350090691 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ZINC001602216959 1350468637 /nfs/dbraw/zinc/46/86/37/1350468637.db2.gz BHQNTFWWWSLQNT-DTWKUNHWSA-N -1 1 341.289 2.288 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1F ZINC001602320478 1350493309 /nfs/dbraw/zinc/49/33/09/1350493309.db2.gz XKMJCFRNLVBUAK-OAHLLOKOSA-N -1 1 342.370 2.181 20 0 EEADMM O=C([O-])c1ccc(CS(=O)(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC001602357173 1350503095 /nfs/dbraw/zinc/50/30/95/1350503095.db2.gz NRHWOVAPUDDCIQ-UHFFFAOYSA-N -1 1 349.343 2.342 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)[C@H]3CCCc4n[nH]cc43)[nH]c21 ZINC001602454154 1350522883 /nfs/dbraw/zinc/52/28/83/1350522883.db2.gz JYBUOBQTZCUIHA-QMMMGPOBSA-N -1 1 325.328 2.043 20 0 EEADMM O=C([O-])c1ccccc1OCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001602473296 1350527349 /nfs/dbraw/zinc/52/73/49/1350527349.db2.gz URQWQHVLNCTDKE-MRXNPFEDSA-N -1 1 338.367 2.261 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC001602526449 1350539164 /nfs/dbraw/zinc/53/91/64/1350539164.db2.gz MOVQCCSFBXVPBW-ZDUSSCGKSA-N -1 1 336.355 2.301 20 0 EEADMM O=C([O-])c1cnc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cn1 ZINC001602526449 1350539166 /nfs/dbraw/zinc/53/91/66/1350539166.db2.gz MOVQCCSFBXVPBW-ZDUSSCGKSA-N -1 1 336.355 2.301 20 0 EEADMM CC(C)(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001603137057 1350648012 /nfs/dbraw/zinc/64/80/12/1350648012.db2.gz LQSCFSRRMUTJBC-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CC(C)(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001603137057 1350648014 /nfs/dbraw/zinc/64/80/14/1350648014.db2.gz LQSCFSRRMUTJBC-UHFFFAOYSA-N -1 1 329.282 2.284 20 0 EEADMM CC(C)(CNc1ccc(-c2nnn[n-]2)nn1)Oc1cc(F)cc(F)c1 ZINC001603150809 1350650530 /nfs/dbraw/zinc/65/05/30/1350650530.db2.gz RVFDNAACNJRCTK-UHFFFAOYSA-N -1 1 347.329 2.204 20 0 EEADMM CC(C)(CNc1ccc(-c2nn[n-]n2)nn1)Oc1cc(F)cc(F)c1 ZINC001603150809 1350650534 /nfs/dbraw/zinc/65/05/34/1350650534.db2.gz RVFDNAACNJRCTK-UHFFFAOYSA-N -1 1 347.329 2.204 20 0 EEADMM C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001603180733 1350656952 /nfs/dbraw/zinc/65/69/52/1350656952.db2.gz KNMSRLJVHIELNO-QWHCGFSZSA-N -1 1 348.399 2.319 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCc2ncc(C(=O)[O-])s2)C1 ZINC001603469692 1350710230 /nfs/dbraw/zinc/71/02/30/1350710230.db2.gz RCWDHFMFUSVWJB-MGCOHNPYSA-N -1 1 341.433 2.234 20 0 EEADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)Oc1ccc(Cl)cc1 ZINC001603559261 1350719924 /nfs/dbraw/zinc/71/99/24/1350719924.db2.gz COCNHKFTJDXBDY-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)Oc1ccc(Cl)cc1 ZINC001603559261 1350719928 /nfs/dbraw/zinc/71/99/28/1350719928.db2.gz COCNHKFTJDXBDY-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cc(F)ccc1N(C)C ZINC001603671977 1350739718 /nfs/dbraw/zinc/73/97/18/1350739718.db2.gz JNGUATASCGWFBI-SECBINFHSA-N -1 1 347.423 2.379 20 0 EEADMM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cc(F)ccc1N(C)C ZINC001603671977 1350739721 /nfs/dbraw/zinc/73/97/21/1350739721.db2.gz JNGUATASCGWFBI-SECBINFHSA-N -1 1 347.423 2.379 20 0 EEADMM C[C@@H](OC1CCCCC1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603704612 1350746865 /nfs/dbraw/zinc/74/68/65/1350746865.db2.gz DPCPSLFPCHZZLN-SECBINFHSA-N -1 1 337.405 2.104 20 0 EEADMM C[C@@H](OC1CCCCC1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603704612 1350746867 /nfs/dbraw/zinc/74/68/67/1350746867.db2.gz DPCPSLFPCHZZLN-SECBINFHSA-N -1 1 337.405 2.104 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603830881 1350778273 /nfs/dbraw/zinc/77/82/73/1350778273.db2.gz QAYVJNNGSKYDHX-YUMQZZPRSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603830881 1350778277 /nfs/dbraw/zinc/77/82/77/1350778277.db2.gz QAYVJNNGSKYDHX-YUMQZZPRSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1CC(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)C[C@@H](C)C1 ZINC001603845842 1350780720 /nfs/dbraw/zinc/78/07/20/1350780720.db2.gz MSUVHAVRBUAXPD-IUCAKERBSA-N -1 1 334.811 2.470 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c[nH]1 ZINC001604018537 1350830713 /nfs/dbraw/zinc/83/07/13/1350830713.db2.gz MRFHEYQZSZCDMP-UHFFFAOYSA-N -1 1 345.327 2.310 20 0 EEADMM CCC(CC)(CC)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604017545 1350830981 /nfs/dbraw/zinc/83/09/81/1350830981.db2.gz LOPQKEHAGKXGSS-UHFFFAOYSA-N -1 1 343.478 2.423 20 0 EEADMM CCC(CC)(CC)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604017545 1350830984 /nfs/dbraw/zinc/83/09/84/1350830984.db2.gz LOPQKEHAGKXGSS-UHFFFAOYSA-N -1 1 343.478 2.423 20 0 EEADMM CCCC[C@H](CCC)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001604163118 1350880495 /nfs/dbraw/zinc/88/04/95/1350880495.db2.gz JQLKQYWWENBRJO-NSHDSACASA-N -1 1 332.408 2.364 20 0 EEADMM CCc1nc(NC[C@@H](C)c2ncc(C)s2)cc(-c2nnn[n-]2)n1 ZINC001604563192 1350961516 /nfs/dbraw/zinc/96/15/16/1350961516.db2.gz KDFOLQBQOBZSOQ-MRVPVSSYSA-N -1 1 330.421 2.200 20 0 EEADMM CCc1nc(NC[C@@H](C)c2ncc(C)s2)cc(-c2nn[n-]n2)n1 ZINC001604563192 1350961518 /nfs/dbraw/zinc/96/15/18/1350961518.db2.gz KDFOLQBQOBZSOQ-MRVPVSSYSA-N -1 1 330.421 2.200 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001604589459 1350965702 /nfs/dbraw/zinc/96/57/02/1350965702.db2.gz PKOLDTSKNDLVQF-ISZGNANSSA-N -1 1 346.305 2.020 20 0 EEADMM CCn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N(C)CC1CCCC1 ZINC001604594428 1350966939 /nfs/dbraw/zinc/96/69/39/1350966939.db2.gz QTGOPTSTEGIVEI-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM CCn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N(C)CC1CCCC1 ZINC001604594428 1350966941 /nfs/dbraw/zinc/96/69/41/1350966941.db2.gz QTGOPTSTEGIVEI-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM C[C@@H]1CN(C(=O)c2coc3cc(F)ccc32)CCN1CCC(=O)[O-] ZINC001604782953 1351002352 /nfs/dbraw/zinc/00/23/52/1351002352.db2.gz HOIBBIVMPIWBCY-LLVKDONJSA-N -1 1 334.347 2.193 20 0 EEADMM CN(Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc([O-])cc1F ZINC001604799555 1351008851 /nfs/dbraw/zinc/00/88/51/1351008851.db2.gz XFJSLFPWIBAYQJ-UHFFFAOYSA-N -1 1 333.348 2.045 20 0 EEADMM C[C@@H]1CN(Cc2oncc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001604802772 1351009298 /nfs/dbraw/zinc/00/92/98/1351009298.db2.gz NDLCWTJOCGVICY-PWSUYJOCSA-N -1 1 339.392 2.108 20 0 EEADMM COC(=O)NCc1ccc(Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001604951424 1351037914 /nfs/dbraw/zinc/03/79/14/1351037914.db2.gz UYTUXVJTKGECQC-UHFFFAOYSA-N -1 1 345.388 2.231 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(-c2nnn[n-]2)n1 ZINC001604974916 1351042895 /nfs/dbraw/zinc/04/28/95/1351042895.db2.gz OMEACUKBBOSQBD-GARJFASQSA-N -1 1 330.392 2.285 20 0 EEADMM COC(=O)c1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(-c2nn[n-]n2)n1 ZINC001604974916 1351042896 /nfs/dbraw/zinc/04/28/96/1351042896.db2.gz OMEACUKBBOSQBD-GARJFASQSA-N -1 1 330.392 2.285 20 0 EEADMM CCCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2o1)C(=O)[O-] ZINC001605258966 1351117846 /nfs/dbraw/zinc/11/78/46/1351117846.db2.gz YYCVCLZNQAGIIY-LSDHHAIUSA-N -1 1 332.400 2.452 20 0 EEADMM COc1ncc(NC(=O)c2cc3occc3s2)cc1-c1nn[n-]n1 ZINC001605346136 1351142097 /nfs/dbraw/zinc/14/20/97/1351142097.db2.gz OHPQCFAMWCMOCA-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM C[S@](=O)Cc1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001605363290 1351144823 /nfs/dbraw/zinc/14/48/23/1351144823.db2.gz SICPDKMUMZVNHJ-QFIPXVFZSA-N -1 1 333.442 2.419 20 0 EEADMM CSC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001605375745 1351147560 /nfs/dbraw/zinc/14/75/60/1351147560.db2.gz HRWCGMQFALOYDP-JTQLQIEISA-N -1 1 342.428 2.316 20 0 EEADMM CSc1cccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001605389067 1351151623 /nfs/dbraw/zinc/15/16/23/1351151623.db2.gz KCPAFOOSPLOCOR-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM CSc1cccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001605389067 1351151626 /nfs/dbraw/zinc/15/16/26/1351151626.db2.gz KCPAFOOSPLOCOR-UHFFFAOYSA-N -1 1 333.402 2.001 20 0 EEADMM Cc1c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cccc1-c1ncco1 ZINC001605499144 1351172329 /nfs/dbraw/zinc/17/23/29/1351172329.db2.gz YYLAMFUAVUQHDK-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cccc1-c1ncco1 ZINC001605499144 1351172331 /nfs/dbraw/zinc/17/23/31/1351172331.db2.gz YYLAMFUAVUQHDK-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM CCOC(=O)c1ccc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)[nH]1 ZINC001605571949 1351192450 /nfs/dbraw/zinc/19/24/50/1351192450.db2.gz YRQGTPMOFLDYBS-SNVBAGLBSA-N -1 1 349.412 2.336 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)cc1Cl ZINC001605629105 1351204981 /nfs/dbraw/zinc/20/49/81/1351204981.db2.gz DFIZKFYKEHFNNC-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)cc1Cl ZINC001605629105 1351204983 /nfs/dbraw/zinc/20/49/83/1351204983.db2.gz DFIZKFYKEHFNNC-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001605669151 1351214182 /nfs/dbraw/zinc/21/41/82/1351214182.db2.gz WHTIIJMYDRDQOB-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1cc(Cl)ccc1OCCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001605669151 1351214185 /nfs/dbraw/zinc/21/41/85/1351214185.db2.gz WHTIIJMYDRDQOB-UHFFFAOYSA-N -1 1 345.794 2.500 20 0 EEADMM Cc1ccc(C(C)(C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001605838172 1351232563 /nfs/dbraw/zinc/23/25/63/1351232563.db2.gz DBUUBNLOYYEQIU-UHFFFAOYSA-N -1 1 338.375 2.022 20 0 EEADMM Cc1ccc(C(C)(C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001605838172 1351232564 /nfs/dbraw/zinc/23/25/64/1351232564.db2.gz DBUUBNLOYYEQIU-UHFFFAOYSA-N -1 1 338.375 2.022 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)s2)nc1 ZINC001605838994 1351232700 /nfs/dbraw/zinc/23/27/00/1351232700.db2.gz HIARULOBGUJTTA-UHFFFAOYSA-N -1 1 342.428 2.339 20 0 EEADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)s2)nc1 ZINC001605838994 1351232702 /nfs/dbraw/zinc/23/27/02/1351232702.db2.gz HIARULOBGUJTTA-UHFFFAOYSA-N -1 1 342.428 2.339 20 0 EEADMM Cc1ccc(O)cc1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001605875516 1351244051 /nfs/dbraw/zinc/24/40/51/1351244051.db2.gz HVDXWMZHGQCSGM-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1ccc(O)cc1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001605875516 1351244054 /nfs/dbraw/zinc/24/40/54/1351244054.db2.gz HVDXWMZHGQCSGM-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1nc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2o1 ZINC001606083897 1351268379 /nfs/dbraw/zinc/26/83/79/1351268379.db2.gz CBXDUCOEIAFAII-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1ncsc1CN(C)C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606104504 1351271416 /nfs/dbraw/zinc/27/14/16/1351271416.db2.gz ZDODGZUBMDUYCF-UHFFFAOYSA-N -1 1 332.364 2.043 20 0 EEADMM Cc1ncsc1CN(C)C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606104504 1351271419 /nfs/dbraw/zinc/27/14/19/1351271419.db2.gz ZDODGZUBMDUYCF-UHFFFAOYSA-N -1 1 332.364 2.043 20 0 EEADMM Cc1noc(C(F)(F)F)c1C(=O)OCc1ccc(-c2nnn[n-]2)o1 ZINC001606128075 1351275578 /nfs/dbraw/zinc/27/55/78/1351275578.db2.gz OPIRSPCZZUMBQZ-UHFFFAOYSA-N -1 1 343.221 2.132 20 0 EEADMM Cc1noc(C(F)(F)F)c1C(=O)OCc1ccc(-c2nn[n-]n2)o1 ZINC001606128075 1351275584 /nfs/dbraw/zinc/27/55/84/1351275584.db2.gz OPIRSPCZZUMBQZ-UHFFFAOYSA-N -1 1 343.221 2.132 20 0 EEADMM CN(Cc1oncc1C(=O)[O-])CC(C)(C)CNC(=O)OC(C)(C)C ZINC001606179087 1351282504 /nfs/dbraw/zinc/28/25/04/1351282504.db2.gz CZQCVOYKFKDOLP-UHFFFAOYSA-N -1 1 341.408 2.356 20 0 EEADMM Clc1sc(N2CC[C@H]3CSC[C@@H]3C2)nc1-c1nn[n-]n1 ZINC001606201280 1351284655 /nfs/dbraw/zinc/28/46/55/1351284655.db2.gz ZGCILJCWRSNGHV-BQBZGAKWSA-N -1 1 328.854 2.166 20 0 EEADMM Clc1nsc(N2CCC[C@H]2c2ncccn2)c1-c1nnn[n-]1 ZINC001606200162 1351284731 /nfs/dbraw/zinc/28/47/31/1351284731.db2.gz YKYKTNNMKMEIGN-ZETCQYMHSA-N -1 1 334.796 2.108 20 0 EEADMM Clc1nsc(N2CCC[C@H]2c2ncccn2)c1-c1nn[n-]n1 ZINC001606200162 1351284733 /nfs/dbraw/zinc/28/47/33/1351284733.db2.gz YKYKTNNMKMEIGN-ZETCQYMHSA-N -1 1 334.796 2.108 20 0 EEADMM C[N@H+]1CCN(C(=O)c2cccc(C3CCCC3)c2)C[C@@H](C(=O)[O-])C1 ZINC001606236203 1351286538 /nfs/dbraw/zinc/28/65/38/1351286538.db2.gz TXXDAFYSRDSINW-KRWDZBQOSA-N -1 1 330.428 2.433 20 0 EEADMM Fc1cccc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)c1-c1nnn[n-]1 ZINC001606328756 1351293381 /nfs/dbraw/zinc/29/33/81/1351293381.db2.gz HFFUZDOUMXAMQA-OIBJUYFYSA-N -1 1 332.257 2.495 20 0 EEADMM Fc1cccc(OC[C@@H]2CC[C@H](C(F)(F)F)O2)c1-c1nn[n-]n1 ZINC001606328756 1351293383 /nfs/dbraw/zinc/29/33/83/1351293383.db2.gz HFFUZDOUMXAMQA-OIBJUYFYSA-N -1 1 332.257 2.495 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2cc(OC)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC001606412332 1351302006 /nfs/dbraw/zinc/30/20/06/1351302006.db2.gz YTSYGGLSLVFQKX-QMTHXVAHSA-N -1 1 341.791 2.187 20 0 EEADMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606498834 1351312729 /nfs/dbraw/zinc/31/27/29/1351312729.db2.gz PBDMSVRMTMPAHM-SFYZADRCSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606498834 1351312732 /nfs/dbraw/zinc/31/27/32/1351312732.db2.gz PBDMSVRMTMPAHM-SFYZADRCSA-N -1 1 343.313 2.287 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@@H](C3CCCCC3)C2)n1 ZINC001606536742 1351318613 /nfs/dbraw/zinc/31/86/13/1351318613.db2.gz JEFBXFVEYGERIL-CYBMUJFWSA-N -1 1 335.404 2.228 20 0 EEADMM COC(=O)c1ccc(CN(CCC(F)(F)F)CC(=O)[O-])cc1F ZINC001606585690 1351326339 /nfs/dbraw/zinc/32/63/39/1351326339.db2.gz HQYNJVPSIOPXCT-UHFFFAOYSA-N -1 1 337.269 2.451 20 0 EEADMM O=C(NC1([C@H]2CCCCO2)CCC1)c1csc(-c2nn[n-]n2)c1 ZINC001606640438 1351335974 /nfs/dbraw/zinc/33/59/74/1351335974.db2.gz CEPJTEHKOHGXPM-GFCCVEGCSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCCc1ccc(F)cc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC001606794627 1351357729 /nfs/dbraw/zinc/35/77/29/1351357729.db2.gz MDQOIJLPKOSOQC-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCCc1ccc(F)cc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC001606794627 1351357732 /nfs/dbraw/zinc/35/77/32/1351357732.db2.gz MDQOIJLPKOSOQC-UHFFFAOYSA-N -1 1 347.300 2.257 20 0 EEADMM O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606838557 1351365311 /nfs/dbraw/zinc/36/53/11/1351365311.db2.gz KVVBPFJNBHIVOS-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606838557 1351365312 /nfs/dbraw/zinc/36/53/12/1351365312.db2.gz KVVBPFJNBHIVOS-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Oc2cccnc2)cc1 ZINC001606893647 1351370980 /nfs/dbraw/zinc/37/09/80/1351370980.db2.gz YNPGZERXNPBDJH-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Oc2cccnc2)cc1 ZINC001606893647 1351370984 /nfs/dbraw/zinc/37/09/84/1351370984.db2.gz YNPGZERXNPBDJH-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM COCCOc1ccc(CN[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)o1 ZINC001606913160 1351374817 /nfs/dbraw/zinc/37/48/17/1351374817.db2.gz CMXFUBHZHHSZQM-IOASZLSFSA-N -1 1 341.404 2.053 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1csc(C2CCCCC2)n1 ZINC001606945807 1351381973 /nfs/dbraw/zinc/38/19/73/1351381973.db2.gz PDYDWHHFVWTCPF-UHFFFAOYSA-N -1 1 344.404 2.346 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccsc1-c1nnn[n-]1 ZINC001606965157 1351386497 /nfs/dbraw/zinc/38/64/97/1351386497.db2.gz ITHJTLPDGQROEZ-ZFRGLUTLSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccsc1-c1nn[n-]n1 ZINC001606965157 1351386500 /nfs/dbraw/zinc/38/65/00/1351386500.db2.gz ITHJTLPDGQROEZ-ZFRGLUTLSA-N -1 1 326.328 2.376 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)c1n[nH]c2c1CCCCC2 ZINC001606979207 1351390682 /nfs/dbraw/zinc/39/06/82/1351390682.db2.gz OFKVCCHTQRCECQ-UHFFFAOYSA-N -1 1 344.400 2.277 20 0 EEADMM c1cc(CSCc2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)n1 ZINC001607119837 1351426254 /nfs/dbraw/zinc/42/62/54/1351426254.db2.gz JFYFKBQLKDFYQI-UHFFFAOYSA-N -1 1 327.369 2.424 20 0 EEADMM c1cc(CSCc2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)n1 ZINC001607119837 1351426258 /nfs/dbraw/zinc/42/62/58/1351426258.db2.gz JFYFKBQLKDFYQI-UHFFFAOYSA-N -1 1 327.369 2.424 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)[C@@H]3CCOC[C@H]23)cc1 ZINC001607129303 1351431319 /nfs/dbraw/zinc/43/13/19/1351431319.db2.gz JFIZSVQMMWSMIF-ZMSDIMECSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)[C@@H]3CCOC[C@H]23)cc1 ZINC001607129303 1351431320 /nfs/dbraw/zinc/43/13/20/1351431320.db2.gz JFIZSVQMMWSMIF-ZMSDIMECSA-N -1 1 348.410 2.271 20 0 EEADMM COc1cc(NC(=O)c2cc(C)cc(C=O)c2O)ccc1C(=O)[O-] ZINC001607178893 1351443980 /nfs/dbraw/zinc/44/39/80/1351443980.db2.gz AFZIHDCCTXMQKI-UHFFFAOYSA-N -1 1 329.308 2.472 20 0 EEADMM COc1ccc(C(=O)NCCN[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001607206579 1351448916 /nfs/dbraw/zinc/44/89/16/1351448916.db2.gz JKOOBALWFREBDD-LLVKDONJSA-N -1 1 332.356 2.067 20 0 EEADMM COc1ccc([C@@H](NCc2ccnn2CC2CCC2)C(=O)[O-])cc1O ZINC001607234388 1351455426 /nfs/dbraw/zinc/45/54/26/1351455426.db2.gz LHVFLXKMZKOEJV-QGZVFWFLSA-N -1 1 345.399 2.313 20 0 EEADMM COc1ccc(CN(C)C(C)(C)C(=O)[O-])c(Br)c1O ZINC001607250423 1351458600 /nfs/dbraw/zinc/45/86/00/1351458600.db2.gz NHJKWYAQCUWTRU-UHFFFAOYSA-N -1 1 332.194 2.458 20 0 EEADMM COc1cccc([C@H](N)C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001607314363 1351471416 /nfs/dbraw/zinc/47/14/16/1351471416.db2.gz XMGXPDAZYPMYDV-HNNXBMFYSA-N -1 1 334.416 2.236 20 0 EEADMM Cc1cc([C@@H](C)N2CCc3c(CC(N)=O)cccc3C2)oc1C(=O)[O-] ZINC001607609032 1351524173 /nfs/dbraw/zinc/52/41/73/1351524173.db2.gz WHVLSHONVRJTKZ-GFCCVEGCSA-N -1 1 342.395 2.433 20 0 EEADMM Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)[O-])nn1[C@H](C)C1CC1 ZINC001607695800 1351541415 /nfs/dbraw/zinc/54/14/15/1351541415.db2.gz RFUVYHNOMZTXOE-SNVBAGLBSA-N -1 1 329.422 2.015 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC001607739698 1351549317 /nfs/dbraw/zinc/54/93/17/1351549317.db2.gz QUASRZQHVCXVCH-CYBMUJFWSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1C ZINC001607825180 1351566101 /nfs/dbraw/zinc/56/61/01/1351566101.db2.gz OUKSBNYOTQGJLD-BPQIPLTHSA-N -1 1 344.455 2.414 20 0 EEADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001607866406 1351574663 /nfs/dbraw/zinc/57/46/63/1351574663.db2.gz RDHXDZZFEBNEJE-GJZGRUSLSA-N -1 1 330.428 2.205 20 0 EEADMM Cc1oc2ccccc2c1CN1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001608054535 1351615163 /nfs/dbraw/zinc/61/51/63/1351615163.db2.gz OHZNWDQZVGABAH-IBGZPJMESA-N -1 1 344.411 2.103 20 0 EEADMM Cn1c(CCNC(C)(C)c2nocc2C(=O)[O-])nc2ccccc21 ZINC001608085633 1351622420 /nfs/dbraw/zinc/62/24/20/1351622420.db2.gz KPMLKUOODMTCHA-UHFFFAOYSA-N -1 1 328.372 2.327 20 0 EEADMM Cn1cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1C(=O)[O-] ZINC001608112732 1351627973 /nfs/dbraw/zinc/62/79/73/1351627973.db2.gz PKUQWQOPBDVHMR-QAPCUYQASA-N -1 1 332.375 2.023 20 0 EEADMM O=C([O-])c1ccccc1COC(=O)CC1(N2CCOCC2)CCCC1 ZINC001608291232 1351664648 /nfs/dbraw/zinc/66/46/48/1351664648.db2.gz GXQFRDVDHNTYJC-UHFFFAOYSA-N -1 1 347.411 2.463 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2C)sn1 ZINC001622644518 1352387008 /nfs/dbraw/zinc/38/70/08/1352387008.db2.gz FFGCOEFXCVGKEP-UHFFFAOYSA-N -1 1 348.453 2.424 20 0 EEADMM Cc1cnc2c(cnn2CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001630888953 1352573838 /nfs/dbraw/zinc/57/38/38/1352573838.db2.gz OIEJVMGSSKBLDE-UHFFFAOYSA-N -1 1 348.366 2.270 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@H](C)OC1CCCCC1 ZINC001647088424 1353134383 /nfs/dbraw/zinc/13/43/83/1353134383.db2.gz OBGDRRBTQPSCNZ-CYBMUJFWSA-N -1 1 346.431 2.406 20 0 EEADMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001647113454 1353148266 /nfs/dbraw/zinc/14/82/66/1353148266.db2.gz AVFPDXLKCOVJDN-JTQLQIEISA-N -1 1 337.388 2.050 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC001649717319 1353570881 /nfs/dbraw/zinc/57/08/81/1353570881.db2.gz LFRPJNGRJIXFEA-ZETCQYMHSA-N -1 1 336.417 2.178 20 0 EEADMM CC[C@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001650492844 1353951866 /nfs/dbraw/zinc/95/18/66/1353951866.db2.gz BBBYNDBAHQXURQ-STQMWFEESA-N -1 1 346.435 2.322 20 0 EEADMM O=C(c1cc(Oc2ccccc2)ccn1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001650858290 1354032034 /nfs/dbraw/zinc/03/20/34/1354032034.db2.gz PLYJMXVTCBDEGL-LBPRGKRZSA-N -1 1 336.355 2.017 20 0 EEADMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1cnccn1 ZINC001653113739 1354113946 /nfs/dbraw/zinc/11/39/46/1354113946.db2.gz YWTDFISGXZZVRH-UHFFFAOYSA-N -1 1 339.380 2.370 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C1(C)CCCCC1 ZINC001388239348 1387275889 /nfs/dbraw/zinc/27/58/89/1387275889.db2.gz FKHWLKIJANICDB-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM C[C@@H](CNC(=O)c1coc2ccccc12)NC(=O)c1ncccc1[O-] ZINC001688156574 1358816567 /nfs/dbraw/zinc/81/65/67/1358816567.db2.gz VEWZZKCOVIVSPC-NSHDSACASA-N -1 1 339.351 2.082 20 0 EEADMM CCCC[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001388492857 1387503641 /nfs/dbraw/zinc/50/36/41/1387503641.db2.gz OOWCKHNIEIRLFZ-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)CCCCC1 ZINC001388676493 1387636438 /nfs/dbraw/zinc/63/64/38/1387636438.db2.gz SDHVLDGXKKFWHK-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM COc1cc(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)ccc1OC(C)C ZINC001187581257 1368255633 /nfs/dbraw/zinc/25/56/33/1368255633.db2.gz BWAUIWPOTLARAW-UHFFFAOYSA-N -1 1 343.343 2.107 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cnc3ccc(Cl)nn32)c(OC)c1 ZINC001190110707 1368394606 /nfs/dbraw/zinc/39/46/06/1368394606.db2.gz UZRRLLFSUFXRIV-UHFFFAOYSA-N -1 1 348.746 2.358 20 0 EEADMM CCOC(=O)c1ccncc1NC(=O)c1c([O-])cc(OC)cc1OC ZINC001190110282 1368394623 /nfs/dbraw/zinc/39/46/23/1368394623.db2.gz LRWHHCFDBPFWMW-UHFFFAOYSA-N -1 1 346.339 2.233 20 0 EEADMM CCOC(=O)[C@@H](CCSC)NC(=O)Nc1c(F)cc([O-])cc1F ZINC001193242394 1368450088 /nfs/dbraw/zinc/45/00/88/1368450088.db2.gz BYDXPSKPLAEXOD-LLVKDONJSA-N -1 1 348.371 2.477 20 0 EEADMM COC(=O)c1cccc2c1CN(C(=O)c1cc([O-])cnc1Cl)C2 ZINC001195305989 1368515984 /nfs/dbraw/zinc/51/59/84/1368515984.db2.gz RMXHAHPVKWIGEQ-UHFFFAOYSA-N -1 1 332.743 2.383 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@H]2CCc3ccccc3OC2)c1 ZINC000867235142 1368616352 /nfs/dbraw/zinc/61/63/52/1368616352.db2.gz KLLLCYXUIDVWKH-ZDUSSCGKSA-N -1 1 349.408 2.073 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cccc(CCO)c1 ZINC001201768553 1368841927 /nfs/dbraw/zinc/84/19/27/1368841927.db2.gz BIQPFFKJRRJVHB-UHFFFAOYSA-N -1 1 346.861 2.118 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC001201773682 1368844391 /nfs/dbraw/zinc/84/43/91/1368844391.db2.gz XPFVETJXUTZUCO-UHFFFAOYSA-N -1 1 342.833 2.231 20 0 EEADMM COCC1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000867406043 1368847967 /nfs/dbraw/zinc/84/79/67/1368847967.db2.gz IFRAMPATMMDBES-UHFFFAOYSA-N -1 1 336.816 2.358 20 0 EEADMM O=C(N[C@@H]1CCS(=O)(=O)C2(CCC2)C1)c1c([O-])cccc1Cl ZINC000886775370 1369668402 /nfs/dbraw/zinc/66/84/02/1369668402.db2.gz IFVFASAKXSNYAM-SNVBAGLBSA-N -1 1 343.832 2.275 20 0 EEADMM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2c[nH]nc2Cl)c1 ZINC000830155662 1372315096 /nfs/dbraw/zinc/31/50/96/1372315096.db2.gz IPDWVLWEDBYHKD-JTQLQIEISA-N -1 1 329.809 2.117 20 0 EEADMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000830544196 1372334187 /nfs/dbraw/zinc/33/41/87/1372334187.db2.gz GVLXPGBWDWUDKL-OAQYLSRUSA-N -1 1 347.433 2.397 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2ccc3c(c2)CCCC3)C1)C(F)(F)F ZINC000831157827 1372368970 /nfs/dbraw/zinc/36/89/70/1372368970.db2.gz BGCHCBSZFYBTFS-UHFFFAOYSA-N -1 1 340.345 2.316 20 0 EEADMM CCOc1cc(C(=O)NCC2CC3(C2)OCCO3)cc(Cl)c1[O-] ZINC000832229002 1372414678 /nfs/dbraw/zinc/41/46/78/1372414678.db2.gz SSZFQVOOYVPNMQ-UHFFFAOYSA-N -1 1 341.791 2.327 20 0 EEADMM O=C(Cn1cc(C2CC2)cn1)Nc1nc(Br)ccc1[O-] ZINC000834298529 1372543662 /nfs/dbraw/zinc/54/36/62/1372543662.db2.gz RDOXSJZZACMCLX-UHFFFAOYSA-N -1 1 337.177 2.262 20 0 EEADMM Cc1[nH]c(CN2CC[C@@H](Oc3ncc(C)cn3)C2)c(C)c1C(=O)[O-] ZINC001140498486 1372588107 /nfs/dbraw/zinc/58/81/07/1372588107.db2.gz ICQIMFBEAREUPC-CYBMUJFWSA-N -1 1 330.388 2.081 20 0 EEADMM Cc1[nH]c(CN2CCC(Oc3ncc(F)cn3)CC2)c(C)c1C(=O)[O-] ZINC001140498667 1372588364 /nfs/dbraw/zinc/58/83/64/1372588364.db2.gz JJNYYJWDFLCMJV-UHFFFAOYSA-N -1 1 348.378 2.302 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccc([O-])cc1F ZINC000848335227 1373133726 /nfs/dbraw/zinc/13/37/26/1373133726.db2.gz ZSOGBYIVTVWIDX-SECBINFHSA-N -1 1 348.296 2.062 20 0 EEADMM CSc1ncc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c(=O)[n-]1 ZINC001362218407 1373378634 /nfs/dbraw/zinc/37/86/34/1373378634.db2.gz DGNKPJCCNSUSDW-MNOVXSKESA-N -1 1 325.434 2.228 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(C2(O)COC2)cc1 ZINC001362518091 1373426717 /nfs/dbraw/zinc/42/67/17/1373426717.db2.gz VUTVOKIIYLFPMU-UHFFFAOYSA-N -1 1 333.771 2.445 20 0 EEADMM CCC1(C(=O)Nc2c[n-][nH]c2=O)CCN(C(=O)c2ccccc2)CC1 ZINC001363710973 1373546001 /nfs/dbraw/zinc/54/60/01/1373546001.db2.gz UFJARYIFYUDLQB-UHFFFAOYSA-N -1 1 342.399 2.386 20 0 EEADMM CCCC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC001372095153 1375766161 /nfs/dbraw/zinc/76/61/61/1375766161.db2.gz SBKNACUDFAUPNS-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CC[C@]1(C)C[C@H]1C(=O)NCC1(NC(=O)c2ncccc2[O-])CCCC1 ZINC001375284114 1377584790 /nfs/dbraw/zinc/58/47/90/1377584790.db2.gz SGUVQEZBMBFCQZ-SCLBCKFNSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@](CNC(=O)CC1CCCC1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001375361716 1377658332 /nfs/dbraw/zinc/65/83/32/1377658332.db2.gz TXICHTISYSTCKY-LJQANCHMSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1ccc(F)c(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001380690459 1381341271 /nfs/dbraw/zinc/34/12/71/1381341271.db2.gz FAJQXTRZGJYYFJ-GFCCVEGCSA-N 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20 0 EEADMM CC(C)C[C@@H](CNC(=O)CCC1CC1)NC(=O)c1ncccc1[O-] ZINC001391397761 1389341514 /nfs/dbraw/zinc/34/15/14/1389341514.db2.gz ZJDFKAIIBQCYGY-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(CC)CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001392197277 1389890031 /nfs/dbraw/zinc/89/00/31/1389890031.db2.gz OMAANSJXFUOMGC-JSGCOSHPSA-N -1 1 337.468 2.053 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)CCCN(C)Cc2ccccc2F)c1[O-] ZINC001393614293 1390494338 /nfs/dbraw/zinc/49/43/38/1390494338.db2.gz MHFMWFPTUKSXPG-UHFFFAOYSA-N -1 1 334.395 2.157 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])C(=O)CC(C)(C)C ZINC001394876889 1390763893 /nfs/dbraw/zinc/76/38/93/1390763893.db2.gz SRJAXQRNMFLOEM-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1)N(C)C(=O)c1ncccc1[O-] ZINC001395166402 1390797308 /nfs/dbraw/zinc/79/73/08/1390797308.db2.gz NYAFYXILJZWVBB-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395561392 1390838482 /nfs/dbraw/zinc/83/84/82/1390838482.db2.gz PMRVNTBJSBOZJK-MGPQQGTHSA-N -1 1 333.432 2.046 20 0 EEADMM CC(C)C1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001396128441 1390908960 /nfs/dbraw/zinc/90/89/60/1390908960.db2.gz ALCYOVJTDPBAGI-CQSZACIVSA-N -1 1 347.459 2.484 20 0 EEADMM CCC[C@H](C)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001396512695 1390950593 /nfs/dbraw/zinc/95/05/93/1390950593.db2.gz BJAPTXXNQLTCOI-MELADBBJSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@H]1CCCC1(C)C ZINC001399361605 1395007402 /nfs/dbraw/zinc/00/74/02/1395007402.db2.gz ZDUVCAJFHCRTGP-QWHCGFSZSA-N -1 1 333.432 2.096 20 0 EEADMM C[C@@]1(NC(=O)CCCC2CC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400894838 1396701712 /nfs/dbraw/zinc/70/17/12/1396701712.db2.gz BXNVNWYLVFZBFB-GOSISDBHSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1nc(CN(C)CCN(C)C(=O)c2ncccc2[O-])sc1C ZINC001401363197 1397192589 /nfs/dbraw/zinc/19/25/89/1397192589.db2.gz RYFPQXNLNQBDFE-UHFFFAOYSA-N -1 1 334.445 2.065 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)cc1 ZINC001423620053 1400701146 /nfs/dbraw/zinc/70/11/46/1400701146.db2.gz XYQPDHKYDVZOFD-AWEZNQCLSA-N -1 1 345.447 2.007 20 0 EEADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cccc2c1OCC2)c1ccccc1F ZINC001424280574 1401018458 /nfs/dbraw/zinc/01/84/58/1401018458.db2.gz RZKYILJYJPZLKN-INIZCTEOSA-N -1 1 349.383 2.369 20 0 EEADMM C[C@@H](CN(C)C(=O)CC1CCC(C)(C)CC1)NCc1n[nH]c(=O)[n-]1 ZINC001425720992 1401758665 /nfs/dbraw/zinc/75/86/65/1401758665.db2.gz ZEJVIFIZPXLKJJ-LBPRGKRZSA-N -1 1 337.468 2.053 20 0 EEADMM CCC(C)(C)CC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001426486355 1402065571 /nfs/dbraw/zinc/06/55/71/1402065571.db2.gz KOPGPIGPHRRUQQ-UONOGXRCSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@@H](F)C(=O)NC1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC001426514640 1402076536 /nfs/dbraw/zinc/07/65/36/1402076536.db2.gz QTBLYMIUZPAXPG-WXRRBKDZSA-N -1 1 337.395 2.035 20 0 EEADMM CCC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001427023930 1402297643 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20 0 EEADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577500086 1403659216 /nfs/dbraw/zinc/65/92/16/1403659216.db2.gz SANCYUTYFBDCQJ-WCQYABFASA-N -1 1 344.419 2.364 20 0 EEADMM CCC1(O)CCC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001590499732 1403881224 /nfs/dbraw/zinc/88/12/24/1403881224.db2.gz HNDQZNOCSATSQL-UHFFFAOYSA-N -1 1 328.829 2.472 20 0 EEADMM CCC1(O)CCC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001590499732 1403881231 /nfs/dbraw/zinc/88/12/31/1403881231.db2.gz HNDQZNOCSATSQL-UHFFFAOYSA-N -1 1 328.829 2.472 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001591683791 1403937563 /nfs/dbraw/zinc/93/75/63/1403937563.db2.gz ZOLWAYCBQWQZJW-PPHMEAEASA-N -1 1 346.869 2.078 20 0 EEADMM C[S@](=O)[C@H]1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001591683791 1403937570 /nfs/dbraw/zinc/93/75/70/1403937570.db2.gz ZOLWAYCBQWQZJW-PPHMEAEASA-N -1 1 346.869 2.078 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCS[C@H](C(F)(F)F)C2)c1 ZINC001591889123 1403969771 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CN(CC(=O)[O-])C(=O)CCN1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001606086899 1404764561 /nfs/dbraw/zinc/76/45/61/1404764561.db2.gz UPUPKDDYMHGLBT-OAHLLOKOSA-N -1 1 344.415 2.023 20 0 EEADMM Cc1nsc(NCCOc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC001606161906 1404770758 /nfs/dbraw/zinc/77/07/58/1404770758.db2.gz XFHLKRPIOWGXQC-UHFFFAOYSA-N -1 1 338.343 2.401 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@H]21 ZINC001606193252 1404777008 /nfs/dbraw/zinc/77/70/08/1404777008.db2.gz UBTCMOHNDKHRBD-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1ccc2c(c1)C[C@@H]1[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@H]21 ZINC001606193252 1404777014 /nfs/dbraw/zinc/77/70/14/1404777014.db2.gz UBTCMOHNDKHRBD-ZLKJLUDKSA-N -1 1 325.763 2.060 20 0 EEADMM Fc1cc(Oc2ccnc(-c3nn[n-]n3)n2)ccc1Br ZINC001606313164 1404788471 /nfs/dbraw/zinc/78/84/71/1404788471.db2.gz JFVFLXHERIXMMF-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM CN(CCCCCCNC(=O)c1ncccc1[O-])C(=O)C(C)(F)F ZINC001757426474 1409709477 /nfs/dbraw/zinc/70/94/77/1409709477.db2.gz LFVMOFGGGJHAIJ-UHFFFAOYSA-N -1 1 343.374 2.191 20 0 EEADMM CN(CCNC(=O)c1coc2ccccc12)C(=O)c1ncccc1[O-] ZINC001758950107 1409777036 /nfs/dbraw/zinc/77/70/36/1409777036.db2.gz XKGWPRRMPSCQEB-UHFFFAOYSA-N -1 1 339.351 2.035 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2=CCCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087135303 759340172 /nfs/dbraw/zinc/34/01/72/759340172.db2.gz ZHRSEVUQDVNPTJ-HIFRSBDPSA-N -1 1 347.463 2.118 20 0 EEADMM Cc1ccnc(NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125856464 764961120 /nfs/dbraw/zinc/96/11/20/764961120.db2.gz AEGUVSABJXTNND-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM CCc1nsc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104935735 765606878 /nfs/dbraw/zinc/60/68/78/765606878.db2.gz WBSADNIPTYYTPC-NSHDSACASA-N -1 1 349.460 2.458 20 0 EEADMM O=C(CNc1ccccc1)N[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000184420885 782928148 /nfs/dbraw/zinc/92/81/48/782928148.db2.gz AXHHOLKYONHLFP-UHFFFAOYSA-N -1 1 339.729 2.491 20 0 EEADMM O=S(=O)([N-][C@H](c1ccccn1)C1CC1)c1c[nH]nc1C(F)(F)F ZINC000921429535 773366791 /nfs/dbraw/zinc/36/67/91/773366791.db2.gz XHDIJYYCIZAJCD-NSHDSACASA-N -1 1 346.334 2.253 20 0 EEADMM CCN(c1nc(C(C)C)ns1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001089637129 773640017 /nfs/dbraw/zinc/64/00/17/773640017.db2.gz LJHHVPJNLFHVFH-LLVKDONJSA-N -1 1 349.460 2.407 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980147598 773949484 /nfs/dbraw/zinc/94/94/84/773949484.db2.gz ZXQLUZSQMXXCET-XSCHDIRWSA-N -1 1 345.443 2.381 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000938747770 774566662 /nfs/dbraw/zinc/56/66/62/774566662.db2.gz JBOCFCIKRLIWFU-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCCCC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939283713 776175934 /nfs/dbraw/zinc/17/59/34/776175934.db2.gz NTRMUBRNQVBQRZ-OCCSQVGLSA-N -1 1 349.479 2.053 20 0 EEADMM C[C@@H]1CC[C@H](CC(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940831715 779376966 /nfs/dbraw/zinc/37/69/66/779376966.db2.gz LFXBATOKEGWGIB-CABCVRRESA-N -1 1 345.443 2.288 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000936873222 779816545 /nfs/dbraw/zinc/81/65/45/779816545.db2.gz BJQLDJAUGHFDHC-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(CC(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067078453 780549879 /nfs/dbraw/zinc/54/98/79/780549879.db2.gz PQDZKYDRCZTFDX-UHFFFAOYSA-N -1 1 345.472 2.461 20 0 EEADMM COc1ccc2c(c1)[C@H](C(=O)N=c1ccnc3n(C)[n-]cc1-3)CCC2 ZINC000847002788 790811215 /nfs/dbraw/zinc/81/12/15/790811215.db2.gz UYXYOBRXXVYISL-CQSZACIVSA-N -1 1 336.395 2.409 20 0 EEADMM Cc1cnc(CN[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)o1 ZINC001088301763 783427783 /nfs/dbraw/zinc/42/77/83/783427783.db2.gz IAYNPZPDHSOSSQ-AWEZNQCLSA-N -1 1 344.415 2.258 20 0 EEADMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000805604259 783629398 /nfs/dbraw/zinc/62/93/98/783629398.db2.gz BEYDVIXYRVRVOH-LURJTMIESA-N -1 1 329.143 2.296 20 0 EEADMM C[C@H]1CN(C(=O)CCC2CCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000945248623 783676870 /nfs/dbraw/zinc/67/68/70/783676870.db2.gz JTVKBOZVYRWDEG-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000945265288 783717635 /nfs/dbraw/zinc/71/76/35/783717635.db2.gz LKXQJSDUKCNXCH-RYUDHWBXSA-N -1 1 335.379 2.017 20 0 EEADMM O=C(c1cc(Cl)nc(Cl)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000816524664 784116610 /nfs/dbraw/zinc/11/66/10/784116610.db2.gz NODCOHAINAQHRD-UHFFFAOYSA-N -1 1 343.170 2.497 20 0 EEADMM CCSCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906882633 784208416 /nfs/dbraw/zinc/20/84/16/784208416.db2.gz YAJGJIMIVMGAGJ-JTQLQIEISA-N -1 1 347.458 2.243 20 0 EEADMM O=C(c1ccc(F)c2ccccc12)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907477530 784645870 /nfs/dbraw/zinc/64/58/70/784645870.db2.gz FHABLPWMQWMOKO-AWEZNQCLSA-N -1 1 343.387 2.422 20 0 EEADMM C[C@@H](CCCc1ccccc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907477009 784646199 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CC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000946326830 791072920 /nfs/dbraw/zinc/07/29/20/791072920.db2.gz DLRBUZCWUBLSRO-UONOGXRCSA-N -1 1 348.447 2.039 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)cc2n[nH]nc21 ZINC001136190330 785433879 /nfs/dbraw/zinc/43/38/79/785433879.db2.gz AQELPQGSSAGZNI-UHFFFAOYSA-N -1 1 338.302 2.445 20 0 EEADMM O=S(=O)([N-]CCOC1CCSCC1)c1ccc(C(F)F)o1 ZINC000908452624 785442416 /nfs/dbraw/zinc/44/24/16/785442416.db2.gz OUUBJBIUJKOIHO-UHFFFAOYSA-N -1 1 341.401 2.408 20 0 EEADMM CC(C)(C)C1CCC(=CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)CC1 ZINC000819621090 785619606 /nfs/dbraw/zinc/61/96/06/785619606.db2.gz WSAFEDZGZKNDAV-UHFFFAOYSA-N -1 1 347.463 2.172 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H](C)C(=O)[O-] ZINC000908747144 785685758 /nfs/dbraw/zinc/68/57/58/785685758.db2.gz OAMXKASHFNQAIA-RYUDHWBXSA-N -1 1 327.450 2.246 20 0 EEADMM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000908773792 785694570 /nfs/dbraw/zinc/69/45/70/785694570.db2.gz MTNZMCDXIMSLCS-LSDHHAIUSA-N -1 1 332.444 2.266 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)c(F)c1 ZINC000819879794 785695227 /nfs/dbraw/zinc/69/52/27/785695227.db2.gz ZROFDJHLPRYLKO-ZDUSSCGKSA-N -1 1 347.383 2.237 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908760433 785705798 /nfs/dbraw/zinc/70/57/98/785705798.db2.gz RJVWCRHYOBEHSH-HNNXBMFYSA-N -1 1 332.444 2.185 20 0 EEADMM COc1cccc(S([O-])=CC(=O)OCc2scnc2C)c1 ZINC000820003896 785759771 /nfs/dbraw/zinc/75/97/71/785759771.db2.gz JCMUSQNETUDFRG-OAQYLSRUSA-N -1 1 325.411 2.311 20 0 EEADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000908832687 785778747 /nfs/dbraw/zinc/77/87/47/785778747.db2.gz MZGQXTVZFXGCDL-NVXWUHKLSA-N -1 1 332.444 2.147 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1[nH]nc2c1CCCCC2)c1ccc(F)cc1 ZINC000909705750 786184318 /nfs/dbraw/zinc/18/43/18/786184318.db2.gz ZNBYGASHEZLWJK-CQSZACIVSA-N -1 1 345.374 2.416 20 0 EEADMM C[C@@H](NC(=O)CN1CCC(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000909787301 786248081 /nfs/dbraw/zinc/24/80/81/786248081.db2.gz CBMKLGZERQHGNM-CQSZACIVSA-N -1 1 334.416 2.059 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)n[nH]2)c1 ZINC000909805521 786264032 /nfs/dbraw/zinc/26/40/32/786264032.db2.gz LILUUAXRCDVHGM-ZWNOBZJWSA-N -1 1 329.356 2.021 20 0 EEADMM CC[C@H](Cc1ccc(F)cc1)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000909932504 786344709 /nfs/dbraw/zinc/34/47/09/786344709.db2.gz NIJXDVRSNFEDRF-GDBMZVCRSA-N -1 1 336.407 2.060 20 0 EEADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)n1nnnc1C(C)(C)C ZINC000909985428 786375616 /nfs/dbraw/zinc/37/56/16/786375616.db2.gz JVYMQWKPIDQBAQ-ZETCQYMHSA-N -1 1 325.319 2.154 20 0 EEADMM CS(C)(=O)=NS(=O)(=O)[N-]CC1(c2ccccc2)CCCC1 ZINC000820782598 786470611 /nfs/dbraw/zinc/47/06/11/786470611.db2.gz QJBQMLPJUMZWKS-UHFFFAOYSA-N -1 1 330.475 2.060 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@H]1CCCc2ccccc21 ZINC000820783541 786472475 /nfs/dbraw/zinc/47/24/75/786472475.db2.gz CZNOWKRJTJFIQC-AWEZNQCLSA-N -1 1 342.486 2.203 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000910172969 786494882 /nfs/dbraw/zinc/49/48/82/786494882.db2.gz IAFYFJTWDGASMO-ZDUSSCGKSA-N -1 1 344.411 2.291 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCSC(C)(C)C)CC1 ZINC000910173531 786496219 /nfs/dbraw/zinc/49/62/19/786496219.db2.gz MSFUDGPWTNHDFP-ZDUSSCGKSA-N -1 1 330.494 2.306 20 0 EEADMM O=C([O-])[C@H]1CSCCN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000910148952 786499547 /nfs/dbraw/zinc/49/95/47/786499547.db2.gz HENCQIKKIHHWDZ-SNVBAGLBSA-N -1 1 349.387 2.106 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000821011175 786576881 /nfs/dbraw/zinc/57/68/81/786576881.db2.gz HOESDCLNEKDBMU-BGJPBQGDSA-N -1 1 342.413 2.076 20 0 EEADMM Cc1conc1CNC[C@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001036539682 786606134 /nfs/dbraw/zinc/60/61/34/786606134.db2.gz KCHJJHHUVBXRPD-WFASDCNBSA-N -1 1 344.415 2.114 20 0 EEADMM CCN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000821165587 786640771 /nfs/dbraw/zinc/64/07/71/786640771.db2.gz VFMIQGYIRVGEMX-UHFFFAOYSA-N -1 1 338.371 2.037 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H](C)C(=O)c2ccco2)c1 ZINC000821352776 786711335 /nfs/dbraw/zinc/71/13/35/786711335.db2.gz ODHBVBLSUNFOFF-BSNNYGBQSA-N -1 1 336.365 2.210 20 0 EEADMM O=C([O-])[C@H](NC(=O)CCc1cnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000910381495 786724631 /nfs/dbraw/zinc/72/46/31/786724631.db2.gz ZAKBCENOTGTDQN-CYBMUJFWSA-N -1 1 341.289 2.303 20 0 EEADMM CC1(C)CN(C(=O)[C@H]2CCCC(C)(C)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996688032 787139582 /nfs/dbraw/zinc/13/95/82/787139582.db2.gz JQHYXBBLRYPSAN-QWHCGFSZSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000910987867 787166470 /nfs/dbraw/zinc/16/64/70/787166470.db2.gz OSRHEFCHGWODIW-GJZGRUSLSA-N -1 1 334.441 2.003 20 0 EEADMM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910992194 787170285 /nfs/dbraw/zinc/17/02/85/787170285.db2.gz ODQXWAVBLYHYRB-LLVKDONJSA-N -1 1 342.298 2.096 20 0 EEADMM CC(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001061995853 787205069 /nfs/dbraw/zinc/20/50/69/787205069.db2.gz YMTKYDDJHZQQHK-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])N1CCCCC1 ZINC000911191911 787291586 /nfs/dbraw/zinc/29/15/86/787291586.db2.gz SGHCODNMGSEAML-OWCLPIDISA-N -1 1 346.427 2.059 20 0 EEADMM CC(C)(CCC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000911325499 787378070 /nfs/dbraw/zinc/37/80/70/787378070.db2.gz OFXZAQTYHMMOGS-LBPRGKRZSA-N -1 1 334.420 2.279 20 0 EEADMM CC1(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])CCCC1 ZINC001062149036 787483710 /nfs/dbraw/zinc/48/37/10/787483710.db2.gz BGYFFOUAGGKMLC-CQSZACIVSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000911507148 787502599 /nfs/dbraw/zinc/50/25/99/787502599.db2.gz ABHJFHRKDJQXPK-DZGCQCFKSA-N -1 1 328.368 2.461 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001062164410 787517338 /nfs/dbraw/zinc/51/73/38/787517338.db2.gz MYMBKRQONLYMSC-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCC([C@H]4CCCCO4)CC3)ccnc1-2 ZINC000823057447 787532951 /nfs/dbraw/zinc/53/29/51/787532951.db2.gz CFJJPNWXHPHBRA-MRXNPFEDSA-N -1 1 343.431 2.155 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2ccccc2n1 ZINC000823294639 787682263 /nfs/dbraw/zinc/68/22/63/787682263.db2.gz LPOJKDNSVYYGLZ-UHFFFAOYSA-N -1 1 332.323 2.373 20 0 EEADMM CSc1nc(CNC(=O)CCOc2ccccc2F)cc(=O)[n-]1 ZINC000912252654 788080625 /nfs/dbraw/zinc/08/06/25/788080625.db2.gz ZSKPFXLGQVFGMA-UHFFFAOYSA-N -1 1 337.376 2.129 20 0 EEADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824319138 788124138 /nfs/dbraw/zinc/12/41/38/788124138.db2.gz HCIDWERFQWYAGP-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824319138 788124141 /nfs/dbraw/zinc/12/41/41/788124141.db2.gz HCIDWERFQWYAGP-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CCCc1n[n-]c(=S)n1CC(=O)N[C@H]1C[C@H](OCC)C12CCC2 ZINC000150798228 788271831 /nfs/dbraw/zinc/27/18/31/788271831.db2.gz BNFRUJZQUFAETJ-RYUDHWBXSA-N -1 1 338.477 2.357 20 0 EEADMM CSCC[C@H](NC(=O)c1sccc1-n1cccc1)c1nn[n-]n1 ZINC000912860269 788418284 /nfs/dbraw/zinc/41/82/84/788418284.db2.gz QJSPSTIFYYHLTH-JTQLQIEISA-N -1 1 348.457 2.276 20 0 EEADMM CSCC[C@H](NC(=O)c1cccc(C(F)F)c1)c1nn[n-]n1 ZINC000912860607 788420555 /nfs/dbraw/zinc/42/05/55/788420555.db2.gz RONCBRNPCJVYQT-JTQLQIEISA-N -1 1 327.360 2.362 20 0 EEADMM CSCC[C@H](NC(=O)c1cnc(C(C)C)s1)c1nn[n-]n1 ZINC000912861700 788422471 /nfs/dbraw/zinc/42/24/71/788422471.db2.gz VJYMGVRKYUEUFY-QMMMGPOBSA-N -1 1 326.451 2.004 20 0 EEADMM CSCC[C@H](NC(=O)Cc1c(C)cc(C)cc1C)c1nn[n-]n1 ZINC000912862885 788425924 /nfs/dbraw/zinc/42/59/24/788425924.db2.gz YPBRQPXQGJOTES-AWEZNQCLSA-N -1 1 333.461 2.278 20 0 EEADMM CCCCCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825267945 788545664 /nfs/dbraw/zinc/54/56/64/788545664.db2.gz OBUZCORELGGJJT-UHFFFAOYSA-N -1 1 334.424 2.428 20 0 EEADMM CCCCCC(C)(C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825267945 788545673 /nfs/dbraw/zinc/54/56/73/788545673.db2.gz OBUZCORELGGJJT-UHFFFAOYSA-N -1 1 334.424 2.428 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000913437618 788874366 /nfs/dbraw/zinc/87/43/66/788874366.db2.gz HLHAIDHKFJWIAP-GJZGRUSLSA-N -1 1 329.404 2.143 20 0 EEADMM CC(C)(C)C1CCC(=CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)CC1 ZINC000913496163 788934994 /nfs/dbraw/zinc/93/49/94/788934994.db2.gz UMEVDGSIOSYOIV-ARLHGKGLSA-N -1 1 333.436 2.262 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C1 ZINC001005948071 788977652 /nfs/dbraw/zinc/97/76/52/788977652.db2.gz CNEAWNPCIQJDII-IHRRRGAJSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)C=C2CCCCC2)C1 ZINC001005953668 788999189 /nfs/dbraw/zinc/99/91/89/788999189.db2.gz VPYRVPFPSDRORE-ZDUSSCGKSA-N -1 1 343.427 2.254 20 0 EEADMM CC(C)C[C@@H](C)C(=O)NC1(CNC(=O)c2ncccc2[O-])CCC1 ZINC001062840512 789932672 /nfs/dbraw/zinc/93/26/72/789932672.db2.gz HLECAQXPPHCNAQ-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(c2nc3ccccc3o2)C1 ZINC001062922863 790018312 /nfs/dbraw/zinc/01/83/12/790018312.db2.gz BKQWGYXLTAAILE-GFCCVEGCSA-N -1 1 338.367 2.279 20 0 EEADMM O=C([O-])c1ccsc1CN1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001144684784 790035378 /nfs/dbraw/zinc/03/53/78/790035378.db2.gz OKMKARTUYFYZQH-CYBMUJFWSA-N -1 1 345.424 2.236 20 0 EEADMM Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])o1 ZINC000946198254 790065160 /nfs/dbraw/zinc/06/51/60/790065160.db2.gz ZPWDMNLBZQFHAD-STQMWFEESA-N -1 1 343.383 2.017 20 0 EEADMM O=C([O-])/C=C/c1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000846258182 790106369 /nfs/dbraw/zinc/10/63/69/790106369.db2.gz RQVHSMRWOBUFIV-CTJKTKJGSA-N -1 1 349.452 2.370 20 0 EEADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000846286479 790116841 /nfs/dbraw/zinc/11/68/41/790116841.db2.gz UNOQVXYMKHDTNN-DFAYQTQMSA-N -1 1 346.196 2.417 20 0 EEADMM COCOc1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2N)c1 ZINC001214370985 790235120 /nfs/dbraw/zinc/23/51/20/790235120.db2.gz PAHWUJCBASNHOJ-UHFFFAOYSA-N -1 1 340.376 2.500 20 0 EEADMM O=C(N[C@H](CNc1ncnc2ccccc21)C1CC1)c1ncccc1[O-] ZINC001109822259 806046426 /nfs/dbraw/zinc/04/64/26/806046426.db2.gz ZQVRUOSCNRNNOE-OAHLLOKOSA-N -1 1 349.394 2.351 20 0 EEADMM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)Cc3cnc[nH]3)n2)c1 ZINC001147079981 791680760 /nfs/dbraw/zinc/68/07/60/791680760.db2.gz IEUYBWWYYHDDCV-UHFFFAOYSA-N -1 1 329.335 2.021 20 0 EEADMM C[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nnc2ccccn21 ZINC000172612928 791738293 /nfs/dbraw/zinc/73/82/93/791738293.db2.gz VGGZQQIFCHIZMV-LLVKDONJSA-N -1 1 336.351 2.392 20 0 EEADMM CCc1nsc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ncccc2[O-])n1 ZINC001064093740 792336263 /nfs/dbraw/zinc/33/62/63/792336263.db2.gz MXSFWPMEGAQOMF-QWRGUYRKSA-N -1 1 347.444 2.212 20 0 EEADMM Cc1cnc(C)nc1NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001064094055 792336534 /nfs/dbraw/zinc/33/65/34/792336534.db2.gz RENSHWMRSLOIDH-KGLIPLIRSA-N -1 1 341.415 2.205 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cncc(Cl)n1)c1ncccc1[O-] ZINC001064093962 792337439 /nfs/dbraw/zinc/33/74/39/792337439.db2.gz QIMMXVXYWRGKAF-GHMZBOCLSA-N -1 1 347.806 2.241 20 0 EEADMM CC(C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000992049912 792476869 /nfs/dbraw/zinc/47/68/69/792476869.db2.gz RWVHTKGQMUGMPD-UHFFFAOYSA-N -1 1 343.427 2.302 20 0 EEADMM C[C@H](C(=O)NC1CC(CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000992051776 792479758 /nfs/dbraw/zinc/47/97/58/792479758.db2.gz DYWRILYLTNURDL-OPFPJEHXSA-N -1 1 345.443 2.238 20 0 EEADMM COCc1n[nH]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC001148794264 792708421 /nfs/dbraw/zinc/70/84/21/792708421.db2.gz GEAVYMRNMFDBGX-UHFFFAOYSA-N -1 1 341.289 2.437 20 0 EEADMM O=C(NCC1(N2CCCC2)COC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799799 792714280 /nfs/dbraw/zinc/71/42/80/792714280.db2.gz VODFPSYCNJNLDI-UHFFFAOYSA-N -1 1 344.333 2.006 20 0 EEADMM C[C@@]1(CO)CN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC[C@@H]1O ZINC001148867061 792754088 /nfs/dbraw/zinc/75/40/88/792754088.db2.gz MCMQUKMLTNURFG-PXNSSMCTSA-N -1 1 341.407 2.265 20 0 EEADMM CN1CCOC[C@H]1CNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148871679 792759684 /nfs/dbraw/zinc/75/96/84/792759684.db2.gz BYBOWHLUDCOKAJ-OAHLLOKOSA-N -1 1 326.396 2.120 20 0 EEADMM O=C(NC1(CNC(=O)C2CCC(F)CC2)CCC1)c1ncccc1[O-] ZINC001064400199 793039275 /nfs/dbraw/zinc/03/92/75/793039275.db2.gz VOIAXGUFKFRZHO-UHFFFAOYSA-N -1 1 349.406 2.084 20 0 EEADMM C[C@@H](C[C@H](C)Nc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001089272612 793927459 /nfs/dbraw/zinc/92/74/59/793927459.db2.gz PTHMPJGNFDMXRY-UWVGGRQHSA-N -1 1 335.795 2.240 20 0 EEADMM O=C(c1cnc(-c2ccccc2)s1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743176 794205287 /nfs/dbraw/zinc/20/52/87/794205287.db2.gz JJSHWCAOTKFSBH-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM CC[C@@H](C)n1ncc(C(=O)N2CCC(c3nn[n-]n3)CC2)c1C1CC1 ZINC000913744113 794208856 /nfs/dbraw/zinc/20/88/56/794208856.db2.gz ANVHMNLQOGDJOJ-LLVKDONJSA-N -1 1 343.435 2.264 20 0 EEADMM COc1ccc2c(c1)[C@@H](C(=O)N1CCC(c3nn[n-]n3)CC1)CCC2 ZINC000913746040 794210095 /nfs/dbraw/zinc/21/00/95/794210095.db2.gz UMNDEHSALREHOI-HNNXBMFYSA-N -1 1 341.415 2.034 20 0 EEADMM COc1ccc(C=C(C)C(=O)N2CCC(c3nn[n-]n3)CC2)cc1F ZINC000913744602 794210872 /nfs/dbraw/zinc/21/08/72/794210872.db2.gz VRKNQJAWKMCGKU-LUAWRHEFSA-N -1 1 345.378 2.157 20 0 EEADMM O=C(CC1C2CC3CC(C2)CC1C3)N1CCC(c2nn[n-]n2)CC1 ZINC000913745719 794214704 /nfs/dbraw/zinc/21/47/04/794214704.db2.gz CBGVQOIKGOZSNY-UHFFFAOYSA-N -1 1 329.448 2.368 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CC[C@@H](C1)N2c1cccc(F)n1 ZINC001065146306 794267682 /nfs/dbraw/zinc/26/76/82/794267682.db2.gz HHAYQYSARJEWEB-OLZOCXBDSA-N -1 1 342.374 2.205 20 0 EEADMM CCCC[C@@H](C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001079706732 795124469 /nfs/dbraw/zinc/12/44/69/795124469.db2.gz KUICBKNQBVPXSC-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM O=C(NCC1(Nc2nccnc2F)CCCCC1)c1ncccc1[O-] ZINC001093388637 795134947 /nfs/dbraw/zinc/13/49/47/795134947.db2.gz CIIYLNZUGFDWAG-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001168462609 795189500 /nfs/dbraw/zinc/18/95/00/795189500.db2.gz CJZUFKJQTYQXLV-KGLIPLIRSA-N -1 1 349.479 2.103 20 0 EEADMM CC1(C)CC[C@H](C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946535681 795584594 /nfs/dbraw/zinc/58/45/94/795584594.db2.gz HQTIHGVNRONGEN-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1Cc1cscn1 ZINC000993214991 796018311 /nfs/dbraw/zinc/01/83/11/796018311.db2.gz LDWRJWVHVDBYKZ-YPMHNXCESA-N -1 1 332.429 2.027 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1Cc1cncs1 ZINC000993254185 796161330 /nfs/dbraw/zinc/16/13/30/796161330.db2.gz XNSSALQRLCZTJP-DGCLKSJQSA-N -1 1 332.429 2.027 20 0 EEADMM C[C@@H](CCNC(=O)[C@@H]1CCC(C)(C)C1)NC(=O)c1ncccc1[O-] ZINC001078265569 796186807 /nfs/dbraw/zinc/18/68/07/796186807.db2.gz UMFLMXJSBBEMMH-QWHCGFSZSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(=O)N[C@@H](C)c1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001060591330 796709657 /nfs/dbraw/zinc/70/96/57/796709657.db2.gz MPBHYBHHDCWRFQ-LBPRGKRZSA-N -1 1 327.384 2.304 20 0 EEADMM CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1[O-])C2 ZINC001002194923 797719944 /nfs/dbraw/zinc/71/99/44/797719944.db2.gz MHVWQXPPMXNKMD-UPJWGTAASA-N -1 1 331.416 2.085 20 0 EEADMM COC(=O)c1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=O)cc1OC ZINC001174427990 797758597 /nfs/dbraw/zinc/75/85/97/797758597.db2.gz PDIXSJMDKXUTDJ-UHFFFAOYSA-N -1 1 336.329 2.408 20 0 EEADMM Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061074694 797925249 /nfs/dbraw/zinc/92/52/49/797925249.db2.gz IBLDWPSATUZTDB-MNOVXSKESA-N -1 1 333.417 2.100 20 0 EEADMM CC1(C)CC(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)CC(C)(C)C2)C1 ZINC001089383502 798284950 /nfs/dbraw/zinc/28/49/50/798284950.db2.gz ZLKSBFTULYBKIS-CYBMUJFWSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1n[nH]c(C(=O)NC2CCN(Cc3cccc(Cl)c3)CC2)c1[O-] ZINC001002616088 798328340 /nfs/dbraw/zinc/32/83/40/798328340.db2.gz WJHVNMPWBSYDFN-UHFFFAOYSA-N -1 1 348.834 2.472 20 0 EEADMM CN(C)C(=O)c1cc(Nc2c(N)[nH]c(=S)[n-]c2=O)ccc1Cl ZINC001176150277 798349371 /nfs/dbraw/zinc/34/93/71/798349371.db2.gz AVBBJZIZZNLUDE-UHFFFAOYSA-N -1 1 339.808 2.152 20 0 EEADMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(N)ccc2C)c1 ZINC001176466426 798464670 /nfs/dbraw/zinc/46/46/70/798464670.db2.gz LXSCYWXGRFRQJJ-UHFFFAOYSA-N -1 1 347.440 2.470 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)[C@@]1(C)C=CCC1)C(=O)c1ncccc1[O-] ZINC001002825634 798668162 /nfs/dbraw/zinc/66/81/62/798668162.db2.gz GGOBZCPHJWTEAB-KUHUBIRLSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(Cc1cncc(Cl)n1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001177226541 798810516 /nfs/dbraw/zinc/81/05/16/798810516.db2.gz MKLWHRLBVBNLLZ-UHFFFAOYSA-N -1 1 329.747 2.203 20 0 EEADMM CC(C)C1(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001002965479 798915130 /nfs/dbraw/zinc/91/51/30/798915130.db2.gz 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CC(C)[C@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccncc1 ZINC000351844638 465394708 /nfs/dbraw/zinc/39/47/08/465394708.db2.gz MKQOSOLXDMXFSS-AWEZNQCLSA-N -1 1 330.388 2.316 20 0 EEADMM O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(Br)cc1[O-] ZINC000548638686 468442038 /nfs/dbraw/zinc/44/20/38/468442038.db2.gz UUOCKDFXPNZJAH-SNVBAGLBSA-N -1 1 336.189 2.096 20 0 EEADMM Cn1ncc2c1[n-]cc(C(=O)NCC(F)(F)c1ccccc1)c2=O ZINC000356926529 465635224 /nfs/dbraw/zinc/63/52/24/465635224.db2.gz GQVUJDRQPLZSDZ-UHFFFAOYSA-N -1 1 332.310 2.196 20 0 EEADMM C[C@H](CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)Cc1ccc(Cl)cc1 ZINC000362302284 465641616 /nfs/dbraw/zinc/64/16/16/465641616.db2.gz BJEYLGLKVBAOJL-FZMZJTMJSA-N -1 1 349.822 2.022 20 0 EEADMM COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCC1 ZINC000330544988 465699964 /nfs/dbraw/zinc/69/99/64/465699964.db2.gz ZHSSGHSKBRVYHT-UHFFFAOYSA-N -1 1 335.784 2.243 20 0 EEADMM Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000366659156 465861182 /nfs/dbraw/zinc/86/11/82/465861182.db2.gz 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Cc1nc(-c2ccc(NCC(=O)NC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000301353932 465949812 /nfs/dbraw/zinc/94/98/12/465949812.db2.gz LGUHOWFWHYUYHE-UHFFFAOYSA-N -1 1 329.404 2.188 20 0 EEADMM O=C(Nc1ccc(N2CCCC2=O)cn1)c1c(F)ccc([O-])c1F ZINC000349101664 465967765 /nfs/dbraw/zinc/96/77/65/465967765.db2.gz YLONZNYFEGRVCX-UHFFFAOYSA-N -1 1 333.294 2.445 20 0 EEADMM O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000362718726 465969648 /nfs/dbraw/zinc/96/96/48/465969648.db2.gz AOLJMYFSYWUNDN-QOKNQOGYSA-N -1 1 337.427 2.200 20 0 EEADMM O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000362781412 466023252 /nfs/dbraw/zinc/02/32/52/466023252.db2.gz MFSXCENCGHUQQY-RAIGVLPGSA-N -1 1 331.807 2.363 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)CSc1ccc(C)cc1 ZINC000349507677 466127435 /nfs/dbraw/zinc/12/74/35/466127435.db2.gz WQNWUDNUPPINTG-JTQLQIEISA-N -1 1 341.458 2.333 20 0 EEADMM CC(C)c1ccccc1OCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000367168402 466169473 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CCCN1CCC[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000332194586 466439700 /nfs/dbraw/zinc/43/97/00/466439700.db2.gz UXPQKUAWELJEEW-GFCCVEGCSA-N -1 1 334.445 2.230 20 0 EEADMM O=C(COc1ccc(Cl)cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332233885 466460235 /nfs/dbraw/zinc/46/02/35/466460235.db2.gz ZWANCAPFVMRHJL-JTQLQIEISA-N -1 1 337.763 2.214 20 0 EEADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1Cc1nc(-c2ccn(C)c2)no1 ZINC000350404235 466482239 /nfs/dbraw/zinc/48/22/39/466482239.db2.gz WRADOJOKNLYCCY-UHFFFAOYSA-N -1 1 348.366 2.120 20 0 EEADMM C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(C)c3F)no2)co1 ZINC000350499918 466517823 /nfs/dbraw/zinc/51/78/23/466517823.db2.gz HPFVRBUYVLNULP-UHFFFAOYSA-N -1 1 337.332 2.352 20 0 EEADMM CC(C)N(CCOCCO)C(=O)c1cc(Br)ccc1[O-] ZINC000312324889 466531741 /nfs/dbraw/zinc/53/17/41/466531741.db2.gz HXDVCDHRJJGLEF-UHFFFAOYSA-N -1 1 346.221 2.014 20 0 EEADMM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000315661527 466563218 /nfs/dbraw/zinc/56/32/18/466563218.db2.gz 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/nfs/dbraw/zinc/17/10/27/578171027.db2.gz TUYBJYRGWJQOHM-UHFFFAOYSA-N -1 1 329.404 2.254 20 0 EEADMM C[C@@H](Nc1cc(Cl)ccc1-c1nn[nH]n1)[C@H](C)[NH+]1CCOCC1 ZINC000736139738 578182927 /nfs/dbraw/zinc/18/29/27/578182927.db2.gz QUEZNRGMKZUWJX-MNOVXSKESA-N -1 1 336.827 2.041 20 0 EEADMM CC(C)c1nc(CN(C)[C@H]2CCN(Cc3ccoc3C(=O)[O-])C2)no1 ZINC000736524401 578209132 /nfs/dbraw/zinc/20/91/32/578209132.db2.gz BLFQYABTHPOTPL-ZDUSSCGKSA-N -1 1 348.403 2.191 20 0 EEADMM CC(C)c1nc(CN(C)[C@@H]2CCN(Cc3ccc(C(=O)[O-])o3)C2)no1 ZINC000736526125 578209142 /nfs/dbraw/zinc/20/91/42/578209142.db2.gz QMUFNPXLFACULL-GFCCVEGCSA-N -1 1 348.403 2.191 20 0 EEADMM CN(CCOc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736802342 578224614 /nfs/dbraw/zinc/22/46/14/578224614.db2.gz QFNGKPBLAWSLEI-UHFFFAOYSA-N -1 1 330.779 2.430 20 0 EEADMM CN(CCOc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736802342 578224615 /nfs/dbraw/zinc/22/46/15/578224615.db2.gz QFNGKPBLAWSLEI-UHFFFAOYSA-N -1 1 330.779 2.430 20 0 EEADMM CCN(CC)[C@H](CNC(=O)[C@H](NC(=O)[O-])C(C)C)c1ccco1 ZINC000737085263 578237259 /nfs/dbraw/zinc/23/72/59/578237259.db2.gz ITJBPXNRYIHOBF-TZMCWYRMSA-N -1 1 325.409 2.071 20 0 EEADMM COc1cccc(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737129527 578239767 /nfs/dbraw/zinc/23/97/67/578239767.db2.gz JXBJCWMFKRWWOJ-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM COc1cccc(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737129527 578239768 /nfs/dbraw/zinc/23/97/68/578239768.db2.gz JXBJCWMFKRWWOJ-UHFFFAOYSA-N -1 1 337.387 2.049 20 0 EEADMM Clc1ccc(NCCc2cn3ccccc3n2)nc1-c1nnn[n-]1 ZINC000737573444 578264855 /nfs/dbraw/zinc/26/48/55/578264855.db2.gz HVGMPGMVZXTYLG-UHFFFAOYSA-N -1 1 340.778 2.217 20 0 EEADMM Clc1ccc(NCCc2cn3ccccc3n2)nc1-c1nn[n-]n1 ZINC000737573444 578264856 /nfs/dbraw/zinc/26/48/56/578264856.db2.gz HVGMPGMVZXTYLG-UHFFFAOYSA-N -1 1 340.778 2.217 20 0 EEADMM Fc1cc(Br)ccc1Oc1cnc(-c2nnn[n-]2)cn1 ZINC000737645228 578268545 /nfs/dbraw/zinc/26/85/45/578268545.db2.gz SWGQWLIDWHUJRY-UHFFFAOYSA-N -1 1 337.112 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/nfs/dbraw/zinc/68/89/00/599688900.db2.gz NRQMKKJKJQDLIX-UHFFFAOYSA-N -1 1 341.419 2.411 20 0 EEADMM CCN(Cc1ccccc1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405312429 600305022 /nfs/dbraw/zinc/30/50/22/600305022.db2.gz FXNABONBKAUYLJ-INIZCTEOSA-N -1 1 330.428 2.222 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000827354276 601107451 /nfs/dbraw/zinc/10/74/51/601107451.db2.gz CTIREXVGKKPBFY-LVDDQXARSA-N -1 1 336.819 2.361 20 0 EEADMM CN(C)[C@@H](CNC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000830584882 601108621 /nfs/dbraw/zinc/10/86/21/601108621.db2.gz FRTQEHBUTXCYKK-HNNXBMFYSA-N -1 1 347.802 2.466 20 0 EEADMM CN(CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000830785469 601147767 /nfs/dbraw/zinc/14/77/67/601147767.db2.gz VRRIMWMKOYJABU-CABCVRRESA-N -1 1 336.407 2.265 20 0 EEADMM O=C([O-])c1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)ccn1 ZINC000833133233 601242738 /nfs/dbraw/zinc/24/27/38/601242738.db2.gz IPYFCENJSVFRKG-AWEZNQCLSA-N -1 1 345.424 2.408 20 0 EEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCSC(C)(C)C1 ZINC000826009092 601328633 /nfs/dbraw/zinc/32/86/33/601328633.db2.gz RQULLBKAWHNXGC-GFCCVEGCSA-N -1 1 336.457 2.217 20 0 EEADMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000818787967 601593677 /nfs/dbraw/zinc/59/36/77/601593677.db2.gz KLKZQLVYZZTCGZ-GFCCVEGCSA-N -1 1 333.413 2.140 20 0 EEADMM O=C([O-])c1cn(CN2CCC[C@]3(CCCc4ccccc43)C2)nn1 ZINC000833338776 601798612 /nfs/dbraw/zinc/79/86/12/601798612.db2.gz ZEACPUSSJHXJAY-GOSISDBHSA-N -1 1 326.400 2.304 20 0 EEADMM CC(C)[C@H]1CCCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826736523 601875430 /nfs/dbraw/zinc/87/54/30/601875430.db2.gz WGYVLRCZMRXCIY-OAHLLOKOSA-N -1 1 345.399 2.231 20 0 EEADMM Cc1ccc(N2CCC[C@H](N3CCSC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000832936676 601920689 /nfs/dbraw/zinc/92/06/89/601920689.db2.gz OFFPXBMGNDFDKR-HOTGVXAUSA-N -1 1 348.468 2.383 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCc2[nH]ncc21)Cc1cccc(F)c1 ZINC000833163027 602029171 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O=C([O-])C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)c1cccs1 ZINC000833772573 604459912 /nfs/dbraw/zinc/45/99/12/604459912.db2.gz CZJUVGIBGHAWEB-GFCCVEGCSA-N -1 1 342.380 2.479 20 0 EEADMM CC(C)(C)c1nnc(NC(=O)CNC2(C(=O)[O-])CCCCC2)s1 ZINC000819932773 604473938 /nfs/dbraw/zinc/47/39/38/604473938.db2.gz ZHKKMJYXMDNBSG-UHFFFAOYSA-N -1 1 340.449 2.151 20 0 EEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000393068126 604605139 /nfs/dbraw/zinc/60/51/39/604605139.db2.gz UTKAFNRWXRDWLS-WMLDXEAASA-N -1 1 345.443 2.196 20 0 EEADMM CCN(CC)c1ncc(CN2CCSC[C@@H]2CC(=O)[O-])s1 ZINC000833654596 604658369 /nfs/dbraw/zinc/65/83/69/604658369.db2.gz WRDREYIYOGXUBJ-NSHDSACASA-N -1 1 329.491 2.381 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H]1C(=O)[O-] ZINC000828464893 604675110 /nfs/dbraw/zinc/67/51/10/604675110.db2.gz VZNKGLLLSHSFPR-IONNQARKSA-N -1 1 341.289 2.306 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000832883136 604689924 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20 0 EEADMM C[C@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCN1CCC(=O)[O-] ZINC000833624823 605256799 /nfs/dbraw/zinc/25/67/99/605256799.db2.gz WLRMSNVDRNSNMV-NSHDSACASA-N -1 1 349.818 2.442 20 0 EEADMM COc1ccc(C)cc1[C@H](C)NCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000833730635 605597160 /nfs/dbraw/zinc/59/71/60/605597160.db2.gz KPKBWELWSWWCDH-DZGCQCFKSA-N -1 1 336.432 2.270 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821040460 606166318 /nfs/dbraw/zinc/16/63/18/606166318.db2.gz MAEQILFBBQDCSD-PWSUYJOCSA-N -1 1 332.412 2.081 20 0 EEADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821040460 606166319 /nfs/dbraw/zinc/16/63/19/606166319.db2.gz MAEQILFBBQDCSD-PWSUYJOCSA-N -1 1 332.412 2.081 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000823294469 606297194 /nfs/dbraw/zinc/29/71/94/606297194.db2.gz BOSFWVCJHMZRAK-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM Fc1cc(F)c(F)c(CNCc2ccc(-c3nnn[n-]3)o2)c1F ZINC000822753699 606338074 /nfs/dbraw/zinc/33/80/74/606338074.db2.gz RQLRQVLWJQQAGP-UHFFFAOYSA-N -1 1 327.241 2.306 20 0 EEADMM Fc1cc(F)c(F)c(CNCc2ccc(-c3nn[n-]n3)o2)c1F ZINC000822753699 606338076 /nfs/dbraw/zinc/33/80/76/606338076.db2.gz RQLRQVLWJQQAGP-UHFFFAOYSA-N -1 1 327.241 2.306 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1-c1nnn[n-]1 ZINC000822573855 606459382 /nfs/dbraw/zinc/45/93/82/606459382.db2.gz JSCNWERHRFNCFO-SECBINFHSA-N -1 1 330.783 2.022 20 0 EEADMM Clc1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC000822573855 606459383 /nfs/dbraw/zinc/45/93/83/606459383.db2.gz JSCNWERHRFNCFO-SECBINFHSA-N -1 1 330.783 2.022 20 0 EEADMM Cn1cc([C@@H]2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)cn1 ZINC000822673800 606463302 /nfs/dbraw/zinc/46/33/02/606463302.db2.gz BSRJWSJOLHUTHM-SNVBAGLBSA-N -1 1 344.810 2.033 20 0 EEADMM Cn1cc([C@@H]2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)cn1 ZINC000822673800 606463304 /nfs/dbraw/zinc/46/33/04/606463304.db2.gz BSRJWSJOLHUTHM-SNVBAGLBSA-N -1 1 344.810 2.033 20 0 EEADMM OC[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823705973 606479683 /nfs/dbraw/zinc/47/96/83/606479683.db2.gz JQNDXFQXZGAAEB-LLVKDONJSA-N -1 1 330.779 2.103 20 0 EEADMM OC[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823705973 606479684 /nfs/dbraw/zinc/47/96/84/606479684.db2.gz JQNDXFQXZGAAEB-LLVKDONJSA-N -1 1 330.779 2.103 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821835959 606489164 /nfs/dbraw/zinc/48/91/64/606489164.db2.gz VLNRMWJBLIYISI-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821835959 606489165 /nfs/dbraw/zinc/48/91/65/606489165.db2.gz VLNRMWJBLIYISI-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COCc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821695976 606506922 /nfs/dbraw/zinc/50/69/22/606506922.db2.gz QASJGSBFQPEGLY-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM COCc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821695976 606506924 /nfs/dbraw/zinc/50/69/24/606506924.db2.gz QASJGSBFQPEGLY-UHFFFAOYSA-N -1 1 329.385 2.005 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823144886 606565469 /nfs/dbraw/zinc/56/54/69/606565469.db2.gz MSAPDWTXHQWRTF-GMSGAONNSA-N -1 1 347.350 2.492 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823144886 606565471 /nfs/dbraw/zinc/56/54/71/606565471.db2.gz MSAPDWTXHQWRTF-GMSGAONNSA-N -1 1 347.350 2.492 20 0 EEADMM Cn1cnc2cc(NC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000822699166 606579452 /nfs/dbraw/zinc/57/94/52/606579452.db2.gz QLHWTTJSJPYYTN-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cnc2cc(NC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000822699166 606579454 /nfs/dbraw/zinc/57/94/54/606579454.db2.gz QLHWTTJSJPYYTN-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM C[C@H](CO[C@H]1CCOC1)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820287918 606634193 /nfs/dbraw/zinc/63/41/93/606634193.db2.gz SDFVPZAWDPZMFL-NEPJUHHUSA-N -1 1 340.387 2.021 20 0 EEADMM C[C@H](CO[C@H]1CCOC1)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820287918 606634194 /nfs/dbraw/zinc/63/41/94/606634194.db2.gz SDFVPZAWDPZMFL-NEPJUHHUSA-N -1 1 340.387 2.021 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823436073 606749960 /nfs/dbraw/zinc/74/99/60/606749960.db2.gz GAMUCIFJPGHZDV-GJZGRUSLSA-N -1 1 335.367 2.184 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823436073 606749961 /nfs/dbraw/zinc/74/99/61/606749961.db2.gz GAMUCIFJPGHZDV-GJZGRUSLSA-N -1 1 335.367 2.184 20 0 EEADMM CCCN(CC(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821094796 606842212 /nfs/dbraw/zinc/84/22/12/606842212.db2.gz QSLJAHVFUVMJGO-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM O=C(CSc1ccc(O)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823066420 607110096 /nfs/dbraw/zinc/11/00/96/607110096.db2.gz YVXQPLXYIDGIQO-UHFFFAOYSA-N -1 1 343.368 2.009 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(c2ccccn2)CC1 ZINC000826472610 607823899 /nfs/dbraw/zinc/82/38/99/607823899.db2.gz QADJBAPADUREPW-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(c2ccccn2)CC1 ZINC000826472610 607823900 /nfs/dbraw/zinc/82/39/00/607823900.db2.gz QADJBAPADUREPW-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc([S@](C)=O)cc1 ZINC000824662789 607903002 /nfs/dbraw/zinc/90/30/02/607903002.db2.gz RSFDWYKGLGCUSW-VCGICTTQSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc([S@](C)=O)cc1 ZINC000824662789 607903003 /nfs/dbraw/zinc/90/30/03/607903003.db2.gz RSFDWYKGLGCUSW-VCGICTTQSA-N -1 1 328.401 2.172 20 0 EEADMM Cn1cc(-c2ccccc2CNc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000826356555 607966730 /nfs/dbraw/zinc/96/67/30/607966730.db2.gz WFRJGOSSJSAHQK-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM Cn1cc(-c2ccccc2CNc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826356555 607966731 /nfs/dbraw/zinc/96/67/31/607966731.db2.gz WFRJGOSSJSAHQK-UHFFFAOYSA-N -1 1 332.371 2.274 20 0 EEADMM Cc1ccc(-c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)cc1 ZINC000826273826 607988566 /nfs/dbraw/zinc/98/85/66/607988566.db2.gz WGFAGJOZIADGOH-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM Cc1ccc(-c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)cc1 ZINC000826273826 607988567 /nfs/dbraw/zinc/98/85/67/607988567.db2.gz WGFAGJOZIADGOH-UHFFFAOYSA-N -1 1 338.356 2.166 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824970894 608102670 /nfs/dbraw/zinc/10/26/70/608102670.db2.gz YRLKNZIBHXCXDF-BZNIZROVSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824970894 608102671 /nfs/dbraw/zinc/10/26/71/608102671.db2.gz YRLKNZIBHXCXDF-BZNIZROVSA-N -1 1 334.383 2.315 20 0 EEADMM Clc1ccccc1C1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC000826353426 608148592 /nfs/dbraw/zinc/14/85/92/608148592.db2.gz OPWUAEOSMXIYSX-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccccc1C1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC000826353426 608148593 /nfs/dbraw/zinc/14/85/93/608148593.db2.gz OPWUAEOSMXIYSX-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1nsc(NCc2cn3ccsc3n2)c1-c1nn[n-]n1 ZINC000826354512 608173093 /nfs/dbraw/zinc/17/30/93/608173093.db2.gz IGCODZFRFHOVAL-UHFFFAOYSA-N -1 1 338.809 2.298 20 0 EEADMM CCc1cccnc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825728624 608309454 /nfs/dbraw/zinc/30/94/54/608309454.db2.gz SUUNWPGMLNTFQT-UHFFFAOYSA-N -1 1 340.391 2.028 20 0 EEADMM CCc1cccnc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825728624 608309455 /nfs/dbraw/zinc/30/94/55/608309455.db2.gz SUUNWPGMLNTFQT-UHFFFAOYSA-N -1 1 340.391 2.028 20 0 EEADMM COc1ccc(COC(=O)c2ccc([O-])cc2F)cc1-c1nn[nH]n1 ZINC000826206260 608320934 /nfs/dbraw/zinc/32/09/34/608320934.db2.gz KSKSQUXUDBEAMH-UHFFFAOYSA-N -1 1 344.302 2.077 20 0 EEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)c1ncc(Cl)n1C ZINC000824731315 608333452 /nfs/dbraw/zinc/33/34/52/608333452.db2.gz UEUVUWZMBUIGRI-ZCFIWIBFSA-N -1 1 338.780 2.233 20 0 EEADMM c1sc(-c2ccccc2)nc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826518903 608394259 /nfs/dbraw/zinc/39/42/59/608394259.db2.gz BXCPKTCANVMZRC-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1sc(-c2ccccc2)nc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826518903 608394261 /nfs/dbraw/zinc/39/42/61/608394261.db2.gz BXCPKTCANVMZRC-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1ccc(-c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)s2)cc1 ZINC000826519380 608416373 /nfs/dbraw/zinc/41/63/73/608416373.db2.gz WEKPIERKTBERIF-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM c1ccc(-c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)s2)cc1 ZINC000826519380 608416374 /nfs/dbraw/zinc/41/63/74/608416374.db2.gz WEKPIERKTBERIF-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824465416 608434160 /nfs/dbraw/zinc/43/41/60/608434160.db2.gz OOLDNIRCLZZXBK-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824465416 608434161 /nfs/dbraw/zinc/43/41/61/608434161.db2.gz OOLDNIRCLZZXBK-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM Fc1cccc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2ccccn2)c1 ZINC000826376754 608441402 /nfs/dbraw/zinc/44/14/02/608441402.db2.gz QMGDWGDTUGDSSO-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccccn2)c1 ZINC000826376754 608441404 /nfs/dbraw/zinc/44/14/04/608441404.db2.gz QMGDWGDTUGDSSO-MRXNPFEDSA-N -1 1 348.345 2.392 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1(C)C ZINC000826145044 608587572 /nfs/dbraw/zinc/58/75/72/608587572.db2.gz XYFKMDAXBCPZHT-UIISKDMLSA-N -1 1 328.829 2.448 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1(C)C ZINC000826145044 608587575 /nfs/dbraw/zinc/58/75/75/608587575.db2.gz XYFKMDAXBCPZHT-UIISKDMLSA-N -1 1 328.829 2.448 20 0 EEADMM Fc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1Br ZINC000826375896 608588453 /nfs/dbraw/zinc/58/84/53/608588453.db2.gz GITQSAJYWYEYCC-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1Br ZINC000826375896 608588455 /nfs/dbraw/zinc/58/84/55/608588455.db2.gz GITQSAJYWYEYCC-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000826515422 608618582 /nfs/dbraw/zinc/61/85/82/608618582.db2.gz YHAZLNWTAVZMQH-GFCCVEGCSA-N -1 1 341.375 2.447 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000826515422 608618584 /nfs/dbraw/zinc/61/85/84/608618584.db2.gz YHAZLNWTAVZMQH-GFCCVEGCSA-N -1 1 341.375 2.447 20 0 EEADMM Clc1ccc(N2CCC[C@H]2C2CCOCC2)nc1-c1nnn[n-]1 ZINC000826352165 609169849 /nfs/dbraw/zinc/16/98/49/609169849.db2.gz QBOCGZBKUFTOOO-LBPRGKRZSA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCC[C@H]2C2CCOCC2)nc1-c1nn[n-]n1 ZINC000826352165 609169851 /nfs/dbraw/zinc/16/98/51/609169851.db2.gz QBOCGZBKUFTOOO-LBPRGKRZSA-N -1 1 334.811 2.311 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NCc1ccc(-c3nnn[n-]3)o1)CCC2 ZINC000824371847 609171358 /nfs/dbraw/zinc/17/13/58/609171358.db2.gz VRXVVMOJLXTWHN-ZDUSSCGKSA-N -1 1 327.392 2.404 20 0 EEADMM CC(C)n1cc2c(n1)[C@@H](NCc1ccc(-c3nn[n-]n3)o1)CCC2 ZINC000824371847 609171360 /nfs/dbraw/zinc/17/13/60/609171360.db2.gz VRXVVMOJLXTWHN-ZDUSSCGKSA-N -1 1 327.392 2.404 20 0 EEADMM Cc1nc(SCCOc2ccc(-c3nn[nH]n3)cc2)[n-]c(=O)c1C ZINC000826327668 609180696 /nfs/dbraw/zinc/18/06/96/609180696.db2.gz POMJOQZHPSCAML-UHFFFAOYSA-N -1 1 344.400 2.150 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC=CCC2)c1-c1nn[n-]n1 ZINC000826231803 609454752 /nfs/dbraw/zinc/45/47/52/609454752.db2.gz ZYVJMOPXOGUHHH-UHFFFAOYSA-N -1 1 342.428 2.263 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000866851503 674676804 /nfs/dbraw/zinc/67/68/04/674676804.db2.gz RTSRQFALWISEPC-UHFFFAOYSA-N -1 1 344.458 2.318 20 0 EEADMM CCn1c(CCNC(=O)CNc2ccccc2Cl)n[n-]c1=S ZINC000067076155 676078747 /nfs/dbraw/zinc/07/87/47/676078747.db2.gz SWRVHPUBLGPVQA-UHFFFAOYSA-N -1 1 339.852 2.385 20 0 EEADMM C[C@@H]1CN(C(=O)CCC2CC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020712875 675436389 /nfs/dbraw/zinc/43/63/89/675436389.db2.gz APOPVCIOFMUQHF-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001020734907 675460466 /nfs/dbraw/zinc/46/04/66/675460466.db2.gz FEXJWRKCSISZAZ-UKRRQHHQSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(Cc1ccncc1)N[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000081025742 675475895 /nfs/dbraw/zinc/47/58/95/675475895.db2.gz KXRPJJJDIHIUGY-UHFFFAOYSA-N -1 1 329.356 2.439 20 0 EEADMM COc1cc[n-]c(=NNC(=O)NCCc2ccc(C(C)C)cc2)n1 ZINC000049789393 675830215 /nfs/dbraw/zinc/83/02/15/675830215.db2.gz YXCZZQVZQYJYCC-UHFFFAOYSA-N -1 1 329.404 2.477 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc2c1CC(=O)CC2 ZINC000891614554 676721170 /nfs/dbraw/zinc/72/11/70/676721170.db2.gz MVJLLOLJVIBTAQ-UHFFFAOYSA-N -1 1 337.379 2.371 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1COC[C@@H]1c1ccccc1 ZINC000891612600 676722648 /nfs/dbraw/zinc/72/26/48/676722648.db2.gz CTIZMSAWPNAMCB-CABCVRRESA-N -1 1 339.395 2.430 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccccc2C)cc1 ZINC000023048366 678660985 /nfs/dbraw/zinc/66/09/85/678660985.db2.gz HYUVSZVKWAOTHR-UHFFFAOYSA-N -1 1 341.363 2.046 20 0 EEADMM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CC=CCC1 ZINC000982794825 681234754 /nfs/dbraw/zinc/23/47/54/681234754.db2.gz FJRPGTVRRLXWAK-KUHUBIRLSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1occc1C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937210736 681685159 /nfs/dbraw/zinc/68/51/59/681685159.db2.gz OXKBCHTUFYEYDI-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM CN(C(=O)c1ccoc1Cl)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937218962 681723720 /nfs/dbraw/zinc/72/37/20/681723720.db2.gz BOQAZBUTGAHHSF-SNVBAGLBSA-N -1 1 349.774 2.020 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983132572 681875940 /nfs/dbraw/zinc/87/59/40/681875940.db2.gz GPORVVSSRJSGOY-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000982674677 682003161 /nfs/dbraw/zinc/00/31/61/682003161.db2.gz XHYDNVMCERLQJA-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000973089514 682072681 /nfs/dbraw/zinc/07/26/81/682072681.db2.gz QYGWWPLMQZHQHN-HDJSIYSDSA-N -1 1 331.416 2.135 20 0 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GHDQSBXYFOTMBX-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)n[nH]1)c1cccc(-c2nn[n-]n2)n1 ZINC001609575312 1352022637 /nfs/dbraw/zinc/02/26/37/1352022637.db2.gz GHDQSBXYFOTMBX-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C(F)(F)Cc1ccccc1 ZINC001609577347 1352023505 /nfs/dbraw/zinc/02/35/05/1352023505.db2.gz IMWGGURVQCXRJR-UHFFFAOYSA-N -1 1 345.309 2.183 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C(F)(F)Cc1ccccc1 ZINC001609577347 1352023511 /nfs/dbraw/zinc/02/35/11/1352023511.db2.gz IMWGGURVQCXRJR-UHFFFAOYSA-N -1 1 345.309 2.183 20 0 EEADMM CC(C)c1noc(CCNC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001333992722 1336188406 /nfs/dbraw/zinc/18/84/06/1336188406.db2.gz AKCRKJOMCZOVQO-UHFFFAOYSA-N -1 1 326.356 2.419 20 0 EEADMM CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)OC ZINC001334874821 1336306392 /nfs/dbraw/zinc/30/63/92/1336306392.db2.gz FBQUZGSYVZSDME-MRVPVSSYSA-N -1 1 341.216 2.008 20 0 EEADMM CC(C)c1ccccc1NC(=O)CN1CCSC[C@@H](C(=O)[O-])C1 ZINC001609720670 1352068200 /nfs/dbraw/zinc/06/82/00/1352068200.db2.gz CRMTWOBJGIMDHN-ZDUSSCGKSA-N -1 1 336.457 2.498 20 0 EEADMM C[C@@H](C1CC1)N(C(=O)CN[C@](C)(CC(=O)[O-])c1ccccn1)C1CC1 ZINC001609725324 1352069684 /nfs/dbraw/zinc/06/96/84/1352069684.db2.gz YFTSRHNGBCGQGF-ORAYPTAESA-N -1 1 345.443 2.151 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCN3)CC1 ZINC001609734537 1352072142 /nfs/dbraw/zinc/07/21/42/1352072142.db2.gz CNPUFGPFPZWMQW-CYBMUJFWSA-N -1 1 346.431 2.057 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3ccccc3cc2N)CC1 ZINC001609735163 1352072152 /nfs/dbraw/zinc/07/21/52/1352072152.db2.gz LJHXUVSOBWHAKL-CYBMUJFWSA-N -1 1 341.411 2.043 20 0 EEADMM C[C@@H](CN1CCOCC1)N(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001609743154 1352074825 /nfs/dbraw/zinc/07/48/25/1352074825.db2.gz GCTSHFRSQBMBGE-LBPRGKRZSA-N -1 1 326.824 2.191 20 0 EEADMM CC1(C)C[C@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C(C)(C)O1 ZINC001609816384 1352092341 /nfs/dbraw/zinc/09/23/41/1352092341.db2.gz MCAIMUFTIFKUJL-ZDUSSCGKSA-N -1 1 345.399 2.469 20 0 EEADMM CC1(C)C[C@@H](NCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C(C)(C)O1 ZINC001609816381 1352092444 /nfs/dbraw/zinc/09/24/44/1352092444.db2.gz MCAIMUFTIFKUJL-CYBMUJFWSA-N -1 1 345.399 2.469 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)[C@H]1C ZINC001609850705 1352101600 /nfs/dbraw/zinc/10/16/00/1352101600.db2.gz PMDNNQLOXFYVOH-PGSNGQOISA-N -1 1 347.459 2.302 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC001609908595 1352117486 /nfs/dbraw/zinc/11/74/86/1352117486.db2.gz TVTJNCNPFYZEGS-NSHDSACASA-N -1 1 340.449 2.108 20 0 EEADMM CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609927319 1352121879 /nfs/dbraw/zinc/12/18/79/1352121879.db2.gz YMAMJVCYBQFJRL-DOTOQJQBSA-N -1 1 347.459 2.198 20 0 EEADMM COCCn1c(-c2c[n-][nH]c2=O)nnc1N(C)c1cc(C)cc(C)c1 ZINC001341449526 1337291983 /nfs/dbraw/zinc/29/19/83/1337291983.db2.gz QEVXHKIWKNCCEV-UHFFFAOYSA-N -1 1 342.403 2.405 20 0 EEADMM CSCC[C@H](NC(=O)Nc1ccc(F)c(F)c1F)c1nn[n-]n1 ZINC001344522431 1337399724 /nfs/dbraw/zinc/39/97/24/1337399724.db2.gz PBFQKIXYKJPGLP-QMMMGPOBSA-N -1 1 346.338 2.233 20 0 EEADMM CCN(CC)C(=O)C1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001609995017 1352137075 /nfs/dbraw/zinc/13/70/75/1352137075.db2.gz UYCPOEUFAAGUOC-UHFFFAOYSA-N -1 1 335.448 2.112 20 0 EEADMM CCc1[nH]c(C(=O)N2CCNC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001610053233 1352151098 /nfs/dbraw/zinc/15/10/98/1352151098.db2.gz UKBSHGURNRUNEK-HNNXBMFYSA-N -1 1 341.411 2.370 20 0 EEADMM CCc1nc(C)c([C@H](C)N(C)c2nnc(-c3c[n-][nH]c3=O)n2C)s1 ZINC001350974619 1337778363 /nfs/dbraw/zinc/77/83/63/1337778363.db2.gz MGNXZQRXMWTHHS-VIFPVBQESA-N -1 1 347.448 2.436 20 0 EEADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1noc2c1COCC2 ZINC001351381596 1337813138 /nfs/dbraw/zinc/81/31/38/1337813138.db2.gz GPNBMGKMCFFRIA-UHFFFAOYSA-N -1 1 345.746 2.438 20 0 EEADMM CN(C)Cc1cc(-c2noc(-c3cnc(C(=O)[O-])cn3)n2)ccc1F ZINC001610101821 1352162246 /nfs/dbraw/zinc/16/22/46/1352162246.db2.gz QPOQWEDTQIYWDR-UHFFFAOYSA-N -1 1 343.318 2.093 20 0 EEADMM CN(C)c1nc2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2[nH]1 ZINC001610107220 1352163252 /nfs/dbraw/zinc/16/32/52/1352163252.db2.gz OVLLEHZEXYRSDN-XYPYZODXSA-N -1 1 330.388 2.458 20 0 EEADMM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(C(=O)[O-])c1 ZINC001610123533 1352167125 /nfs/dbraw/zinc/16/71/25/1352167125.db2.gz DDMARVWTGPWSQZ-UHFFFAOYSA-N -1 1 329.352 2.480 20 0 EEADMM O=C(c1ccc(-c2ccc(F)cc2)o1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001352596468 1337993363 /nfs/dbraw/zinc/99/33/63/1337993363.db2.gz OWYKVVHGLNCRJS-NSHDSACASA-N -1 1 327.319 2.229 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C)C2)c1 ZINC001610360066 1352210928 /nfs/dbraw/zinc/21/09/28/1352210928.db2.gz LSVIBFVFQRGMKM-MPGHIAIKSA-N -1 1 348.443 2.098 20 0 EEADMM Cc1cnc(CCNC(=O)c2ccc3n[n-]c(=S)n3c2)c(C)c1 ZINC000848294564 1338647905 /nfs/dbraw/zinc/64/79/05/1338647905.db2.gz PCZJHHFGKYUQRR-UHFFFAOYSA-N -1 1 327.413 2.002 20 0 EEADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339771 1338681961 /nfs/dbraw/zinc/68/19/61/1338681961.db2.gz OJNUBZLYKTVROI-WHOHXGKFSA-N -1 1 348.365 2.050 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Br)c1O ZINC001610394430 1352215612 /nfs/dbraw/zinc/21/56/12/1352215612.db2.gz XKRAXLJOXXNIQC-ZDUSSCGKSA-N -1 1 328.162 2.234 20 0 EEADMM Cc1c2cccc(C)c2oc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001610406126 1352217751 /nfs/dbraw/zinc/21/77/51/1352217751.db2.gz ONXFLNVGANICSK-ZDUSSCGKSA-N -1 1 330.384 2.138 20 0 EEADMM Cc1cc(Cl)ncc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610463519 1352227013 /nfs/dbraw/zinc/22/70/13/1352227013.db2.gz HLEUGPZVONXGLI-UHFFFAOYSA-N -1 1 340.788 2.471 20 0 EEADMM Cc1c([C@@H](C)NCC(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1C ZINC001610488676 1352231631 /nfs/dbraw/zinc/23/16/31/1352231631.db2.gz QPNDGNKMBKIUIE-LLVKDONJSA-N -1 1 330.388 2.024 20 0 EEADMM Cc1ccccc1[C@@H](N)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001610477425 1352229355 /nfs/dbraw/zinc/22/93/55/1352229355.db2.gz VVGNXYCYNMXWFE-QGZVFWFLSA-N -1 1 328.368 2.405 20 0 EEADMM O=C([O-])c1ccc(Cl)c(CN2CCN(C[C@H]3CCCO3)CC2)c1 ZINC001610831351 1352281962 /nfs/dbraw/zinc/28/19/62/1352281962.db2.gz YARUQGUSDYDWJE-OAHLLOKOSA-N -1 1 338.835 2.335 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)CC1CCCCC1 ZINC001428982207 1339759090 /nfs/dbraw/zinc/75/90/90/1339759090.db2.gz LQGJJASPWQSATR-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)c3cnn[nH]3)C2)CCC1 ZINC001430327190 1340188568 /nfs/dbraw/zinc/18/85/68/1340188568.db2.gz NJQUUMFUTNOPOC-UONOGXRCSA-N -1 1 347.463 2.132 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCc1ccccc1 ZINC001430509442 1340241589 /nfs/dbraw/zinc/24/15/89/1340241589.db2.gz MJMFKXZJBLIEHQ-AWEZNQCLSA-N -1 1 341.411 2.045 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCc1ccccc1 ZINC001430509446 1340241650 /nfs/dbraw/zinc/24/16/50/1340241650.db2.gz MJMFKXZJBLIEHQ-CQSZACIVSA-N -1 1 341.411 2.045 20 0 EEADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CO)c1 ZINC000013345746 1352318310 /nfs/dbraw/zinc/31/83/10/1352318310.db2.gz MCPRNUSZKJPHCT-UHFFFAOYSA-N -1 1 341.772 2.331 20 0 EEADMM CN(CCN(C)C(=O)C(C)(C)C1CCC1)C(=O)c1ncccc1[O-] ZINC001431363104 1340563057 /nfs/dbraw/zinc/56/30/57/1340563057.db2.gz PSVOWZIXPJZOOO-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM CCC[C@@H](C)CC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001431761893 1340719332 /nfs/dbraw/zinc/71/93/32/1340719332.db2.gz TYNXMGNPIPSUJN-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CSc1ncc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(=O)[n-]1 ZINC001433616912 1341639439 /nfs/dbraw/zinc/63/94/39/1341639439.db2.gz OQZYSYILNOAWKS-UHFFFAOYSA-N -1 1 346.290 2.276 20 0 EEADMM C[C@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)CC2CCCC2)C1 ZINC001434213319 1341793288 /nfs/dbraw/zinc/79/32/88/1341793288.db2.gz DZEHLTZRRQHCJO-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NS(=O)(=O)c1cc(OC)ccc1[O-] ZINC001434559538 1341872642 /nfs/dbraw/zinc/87/26/42/1341872642.db2.gz JQAMLNRTLRTSIH-LSDHHAIUSA-N -1 1 343.445 2.273 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001577301164 1344124716 /nfs/dbraw/zinc/12/47/16/1344124716.db2.gz PSLUPIBBOJFOIN-VIFPVBQESA-N -1 1 329.451 2.033 20 0 EEADMM CCC[C@H](C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001577301164 1344124719 /nfs/dbraw/zinc/12/47/19/1344124719.db2.gz PSLUPIBBOJFOIN-VIFPVBQESA-N -1 1 329.451 2.033 20 0 EEADMM CCC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577392234 1344139376 /nfs/dbraw/zinc/13/93/76/1344139376.db2.gz GZOUWGPWYLDFLM-DGCLKSJQSA-N -1 1 344.419 2.364 20 0 EEADMM CCSc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001578417697 1344276912 /nfs/dbraw/zinc/27/69/12/1344276912.db2.gz UYBTXBGKSWNNQB-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM CCSc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001578417697 1344276916 /nfs/dbraw/zinc/27/69/16/1344276916.db2.gz UYBTXBGKSWNNQB-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM CN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001578926312 1344320221 /nfs/dbraw/zinc/32/02/21/1344320221.db2.gz KEVJMGBKRPBAKP-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM CN(C(=O)c1cccc(F)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001578926312 1344320227 /nfs/dbraw/zinc/32/02/27/1344320227.db2.gz KEVJMGBKRPBAKP-UHFFFAOYSA-N -1 1 332.726 2.331 20 0 EEADMM COc1ncc(NC(=O)N(C)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC001580135278 1344478909 /nfs/dbraw/zinc/47/89/09/1344478909.db2.gz YAZPVBMJWRQLMJ-UHFFFAOYSA-N -1 1 339.359 2.247 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(O)CCCC(C)(C)CC2)n1 ZINC001580730002 1344553880 /nfs/dbraw/zinc/55/38/80/1344553880.db2.gz ZGGRECGKQXPETI-INIZCTEOSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(O)CCCC(C)(C)CC2)n1 ZINC001580730002 1344553886 /nfs/dbraw/zinc/55/38/86/1344553886.db2.gz ZGGRECGKQXPETI-INIZCTEOSA-N -1 1 331.424 2.098 20 0 EEADMM Cc1ccsc1CCCC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581301742 1344615637 /nfs/dbraw/zinc/61/56/37/1344615637.db2.gz RFOTYVRJZMRZDD-UHFFFAOYSA-N -1 1 342.428 2.271 20 0 EEADMM Cc1ccsc1CCCC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581301742 1344615643 /nfs/dbraw/zinc/61/56/43/1344615643.db2.gz RFOTYVRJZMRZDD-UHFFFAOYSA-N -1 1 342.428 2.271 20 0 EEADMM Cc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001581527768 1344635477 /nfs/dbraw/zinc/63/54/77/1344635477.db2.gz MESOQHQLPSRZFU-CMPLNLGQSA-N -1 1 329.314 2.211 20 0 EEADMM Cc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001581527768 1344635480 /nfs/dbraw/zinc/63/54/80/1344635480.db2.gz MESOQHQLPSRZFU-CMPLNLGQSA-N -1 1 329.314 2.211 20 0 EEADMM O=C(CSCc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001582132871 1344705042 /nfs/dbraw/zinc/70/50/42/1344705042.db2.gz DYPZSGPASWHQFC-UHFFFAOYSA-N -1 1 349.807 2.115 20 0 EEADMM O=C(CSCc1ccc(Cl)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001582132871 1344705044 /nfs/dbraw/zinc/70/50/44/1344705044.db2.gz DYPZSGPASWHQFC-UHFFFAOYSA-N -1 1 349.807 2.115 20 0 EEADMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001582348151 1344740377 /nfs/dbraw/zinc/74/03/77/1344740377.db2.gz ZEQAYFIWFKSBJH-JTQLQIEISA-N -1 1 347.787 2.445 20 0 EEADMM O=C(NCC1(CC2CC2)CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582382560 1344746796 /nfs/dbraw/zinc/74/67/96/1344746796.db2.gz ZHKWKRIVRMWWLW-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCC1(CC2CC2)CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582382560 1344746800 /nfs/dbraw/zinc/74/68/00/1344746800.db2.gz ZHKWKRIVRMWWLW-UHFFFAOYSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCCc1cccc(Cl)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582527065 1344758160 /nfs/dbraw/zinc/75/81/60/1344758160.db2.gz NCVQYHFEJBOSBO-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O=C(NCCc1cccc(Cl)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582527065 1344758163 /nfs/dbraw/zinc/75/81/63/1344758163.db2.gz NCVQYHFEJBOSBO-UHFFFAOYSA-N -1 1 343.778 2.279 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC12CCC(CC1)C2 ZINC001582549494 1344760620 /nfs/dbraw/zinc/76/06/20/1344760620.db2.gz CAVWBYGWZXRZPK-UHFFFAOYSA-N -1 1 332.433 2.308 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1Cc2ccccc2C1 ZINC001582549233 1344760652 /nfs/dbraw/zinc/76/06/52/1344760652.db2.gz SPIIJIMSJPHWFX-UHFFFAOYSA-N -1 1 326.385 2.154 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582551876 1344761377 /nfs/dbraw/zinc/76/13/77/1344761377.db2.gz CBPIARYOPJRQLT-UHFFFAOYSA-N -1 1 335.371 2.072 20 0 EEADMM O=C(NCc1ccc2c(c1)CCC2)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582551876 1344761381 /nfs/dbraw/zinc/76/13/81/1344761381.db2.gz CBPIARYOPJRQLT-UHFFFAOYSA-N -1 1 335.371 2.072 20 0 EEADMM c1ccc(-c2nnn(C[C@H]3CC4(CCC4)CO3)c2-c2nn[n-]n2)cc1 ZINC001582817544 1344796376 /nfs/dbraw/zinc/79/63/76/1344796376.db2.gz MFXRKDDSNNROON-CYBMUJFWSA-N -1 1 337.387 2.084 20 0 EEADMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001588125219 1348879153 /nfs/dbraw/zinc/87/91/53/1348879153.db2.gz WWEMXTVRHJZZBQ-UHFFFAOYSA-N -1 1 327.369 2.319 20 0 EEADMM CC(=O)c1ccc2c(c1)CCN(c1nc(-c3nn[n-]n3)ccc1C)CC2 ZINC001588918434 1348947208 /nfs/dbraw/zinc/94/72/08/1348947208.db2.gz CKRRYYBSTMRPED-UHFFFAOYSA-N -1 1 348.410 2.378 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21)c1ccsc1 ZINC001588957434 1348950421 /nfs/dbraw/zinc/95/04/21/1348950421.db2.gz HFYKQFPQLIGSRZ-SNVBAGLBSA-N -1 1 340.412 2.406 20 0 EEADMM C[C@@H](C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21)c1ccsc1 ZINC001588957434 1348950423 /nfs/dbraw/zinc/95/04/23/1348950423.db2.gz HFYKQFPQLIGSRZ-SNVBAGLBSA-N -1 1 340.412 2.406 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001589030145 1348953235 /nfs/dbraw/zinc/95/32/35/1348953235.db2.gz KSPQTDWNXFFRTM-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM C[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001589030145 1348953237 /nfs/dbraw/zinc/95/32/37/1348953237.db2.gz KSPQTDWNXFFRTM-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCC2 ZINC001589193286 1348967565 /nfs/dbraw/zinc/96/75/65/1348967565.db2.gz PESJPJASJFPSAZ-KGLIPLIRSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)(C)O[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCC2 ZINC001589193286 1348967567 /nfs/dbraw/zinc/96/75/67/1348967567.db2.gz PESJPJASJFPSAZ-KGLIPLIRSA-N -1 1 328.420 2.222 20 0 EEADMM CC(C)[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1(CO)CCCC1 ZINC001589473231 1348992957 /nfs/dbraw/zinc/99/29/57/1348992957.db2.gz ZHTKNBDVWJBYTC-CYBMUJFWSA-N -1 1 349.460 2.235 20 0 EEADMM CC(C)CC[C@H](C)NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001589588351 1349007490 /nfs/dbraw/zinc/00/74/90/1349007490.db2.gz OMTQEWZZAKHKDQ-JTQLQIEISA-N -1 1 343.478 2.172 20 0 EEADMM CC(C)n1ncc2cc(COc3cccnc3-c3nnn[n-]3)cnc21 ZINC001589785222 1349041138 /nfs/dbraw/zinc/04/11/38/1349041138.db2.gz WECCGAQIONFQAT-UHFFFAOYSA-N -1 1 336.359 2.166 20 0 EEADMM CC(C)n1ncc2cc(COc3cccnc3-c3nn[n-]n3)cnc21 ZINC001589785222 1349041142 /nfs/dbraw/zinc/04/11/42/1349041142.db2.gz WECCGAQIONFQAT-UHFFFAOYSA-N -1 1 336.359 2.166 20 0 EEADMM CC(F)(F)C1(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001589906529 1349059506 /nfs/dbraw/zinc/05/95/06/1349059506.db2.gz KPJJZEXZUJVAJE-UHFFFAOYSA-N -1 1 334.739 2.351 20 0 EEADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1nccn1-c1ccccc1 ZINC001589990234 1349096156 /nfs/dbraw/zinc/09/61/56/1349096156.db2.gz PBOKXEKDFOJUEQ-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM CC1(C)CC[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590093926 1349151620 /nfs/dbraw/zinc/15/16/20/1349151620.db2.gz ZWUPTEHZIJKUDZ-RXMQYKEDSA-N -1 1 327.801 2.287 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]2O1 ZINC001590118625 1349163520 /nfs/dbraw/zinc/16/35/20/1349163520.db2.gz TYZPSMPUUFACTK-SLGCYQGISA-N -1 1 336.783 2.010 20 0 EEADMM CC1(C)O[C@@H]2C[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]2O1 ZINC001590118625 1349163524 /nfs/dbraw/zinc/16/35/24/1349163524.db2.gz TYZPSMPUUFACTK-SLGCYQGISA-N -1 1 336.783 2.010 20 0 EEADMM C[C@@H]1[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)[C@H]1c1ccccc1 ZINC001590166187 1349181615 /nfs/dbraw/zinc/18/16/15/1349181615.db2.gz WFFYVLOGNSIBFS-ZWKOPEQDSA-N -1 1 349.398 2.455 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1cnc(-c2nnn[n-]2)cn1 ZINC001590180618 1349183668 /nfs/dbraw/zinc/18/36/68/1349183668.db2.gz SKNIUIPKFQAZOW-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1cnc(-c2nn[n-]n2)cn1 ZINC001590180618 1349183670 /nfs/dbraw/zinc/18/36/70/1349183670.db2.gz SKNIUIPKFQAZOW-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM CC[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC001590477212 1349350113 /nfs/dbraw/zinc/35/01/13/1349350113.db2.gz QAIXUCOJVJDRTC-WCQYABFASA-N -1 1 341.375 2.022 20 0 EEADMM CCC[C@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)[C@H](O)c1ccccc1 ZINC001590559156 1349370194 /nfs/dbraw/zinc/37/01/94/1349370194.db2.gz KZXRSFRCWBXELQ-XJKSGUPXSA-N -1 1 339.403 2.279 20 0 EEADMM CCC[C@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)[C@H](O)c1ccccc1 ZINC001590559156 1349370201 /nfs/dbraw/zinc/37/02/01/1349370201.db2.gz KZXRSFRCWBXELQ-XJKSGUPXSA-N -1 1 339.403 2.279 20 0 EEADMM CCCN(C(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001590617828 1349377421 /nfs/dbraw/zinc/37/74/21/1349377421.db2.gz MGURQIUUDZWQBG-UHFFFAOYSA-N -1 1 343.840 2.329 20 0 EEADMM CCCN(C(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001590617828 1349377426 /nfs/dbraw/zinc/37/74/26/1349377426.db2.gz MGURQIUUDZWQBG-UHFFFAOYSA-N -1 1 343.840 2.329 20 0 EEADMM CCN(C(C)=O)c1ccc(NCc2csc(-c3nn[n-]n3)c2)cn1 ZINC001590677395 1349386631 /nfs/dbraw/zinc/38/66/31/1349386631.db2.gz XWXCKUKHNVYVFJ-UHFFFAOYSA-N -1 1 343.416 2.308 20 0 EEADMM CCN(CC1CCC1)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590691546 1349391369 /nfs/dbraw/zinc/39/13/69/1349391369.db2.gz SMEVTFYFEBFDCO-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM CCN(CC1CCC1)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590691546 1349391377 /nfs/dbraw/zinc/39/13/77/1349391377.db2.gz SMEVTFYFEBFDCO-UHFFFAOYSA-N -1 1 342.407 2.365 20 0 EEADMM CCO[C@H](CNC(=O)c1cc(-c2nnn[n-]2)oc1C)c1ccccc1 ZINC001590785763 1349398597 /nfs/dbraw/zinc/39/85/97/1349398597.db2.gz OVHXFMJGWZWNIQ-OAHLLOKOSA-N -1 1 341.371 2.276 20 0 EEADMM CCO[C@H](CNC(=O)c1cc(-c2nn[n-]n2)oc1C)c1ccccc1 ZINC001590785763 1349398598 /nfs/dbraw/zinc/39/85/98/1349398598.db2.gz OVHXFMJGWZWNIQ-OAHLLOKOSA-N -1 1 341.371 2.276 20 0 EEADMM CC[C@H](C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC001590867710 1349407273 /nfs/dbraw/zinc/40/72/73/1349407273.db2.gz PMZQMQZCDYYZAJ-GWCFXTLKSA-N -1 1 332.408 2.430 20 0 EEADMM CC[C@H](C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC001590867710 1349407275 /nfs/dbraw/zinc/40/72/75/1349407275.db2.gz PMZQMQZCDYYZAJ-GWCFXTLKSA-N -1 1 332.408 2.430 20 0 EEADMM CCc1nc(NCC[C@H]2CC2(Cl)Cl)cc(-c2nnn[n-]2)n1 ZINC001590920617 1349412541 /nfs/dbraw/zinc/41/25/41/1349412541.db2.gz ZRZILNOMBOKVOB-ZETCQYMHSA-N -1 1 328.207 2.215 20 0 EEADMM CCc1nc(NCC[C@H]2CC2(Cl)Cl)cc(-c2nn[n-]n2)n1 ZINC001590920617 1349412545 /nfs/dbraw/zinc/41/25/45/1349412545.db2.gz ZRZILNOMBOKVOB-ZETCQYMHSA-N -1 1 328.207 2.215 20 0 EEADMM CCc1nnc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001590930385 1349417931 /nfs/dbraw/zinc/41/79/31/1349417931.db2.gz NMNMMPUJNHKXKI-UHFFFAOYSA-N -1 1 328.814 2.003 20 0 EEADMM COc1cc(Cl)ccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001591540324 1349503235 /nfs/dbraw/zinc/50/32/35/1349503235.db2.gz SQUZDCIEALQZDW-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc(Cl)ccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001591540324 1349503238 /nfs/dbraw/zinc/50/32/38/1349503238.db2.gz SQUZDCIEALQZDW-UHFFFAOYSA-N -1 1 345.746 2.281 20 0 EEADMM COc1cc2c(cc1F)ncnc2Oc1cccnc1-c1nnn[n-]1 ZINC001591554902 1349507021 /nfs/dbraw/zinc/50/70/21/1349507021.db2.gz MUYZUCLZPXHCRS-UHFFFAOYSA-N -1 1 339.290 2.145 20 0 EEADMM COc1cc2c(cc1F)ncnc2Oc1cccnc1-c1nn[n-]n1 ZINC001591554902 1349507024 /nfs/dbraw/zinc/50/70/24/1349507024.db2.gz MUYZUCLZPXHCRS-UHFFFAOYSA-N -1 1 339.290 2.145 20 0 EEADMM COc1ccc(CC(C)(C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001591583851 1349509361 /nfs/dbraw/zinc/50/93/61/1349509361.db2.gz NONWKPJTVIIHBH-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC(C)(C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001591583851 1349509370 /nfs/dbraw/zinc/50/93/70/1349509370.db2.gz NONWKPJTVIIHBH-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM Cc1cc(F)c2c(c1)CCCN2C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591988891 1349578073 /nfs/dbraw/zinc/57/80/73/1349578073.db2.gz IROBKMSCPKDDIF-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)c2c(c1)CCCN2C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591988891 1349578079 /nfs/dbraw/zinc/57/80/79/1349578079.db2.gz IROBKMSCPKDDIF-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)cc2c1N(C(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001591990763 1349579142 /nfs/dbraw/zinc/57/91/42/1349579142.db2.gz NWKHCZBCMHCXSS-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1cc(F)cc2c1N(C(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001591990763 1349579153 /nfs/dbraw/zinc/57/91/53/1349579153.db2.gz NWKHCZBCMHCXSS-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001592110677 1349592575 /nfs/dbraw/zinc/59/25/75/1349592575.db2.gz SEJUOHNXMRKVJP-KBPBESRZSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cnccc1CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001592300801 1349618659 /nfs/dbraw/zinc/61/86/59/1349618659.db2.gz JQTIJOBNSQGWCG-UHFFFAOYSA-N -1 1 347.382 2.024 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001592497070 1349637072 /nfs/dbraw/zinc/63/70/72/1349637072.db2.gz UEZNRRIEVUMMOA-KRWDZBQOSA-N -1 1 341.346 2.479 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC001592497070 1349637073 /nfs/dbraw/zinc/63/70/73/1349637073.db2.gz UEZNRRIEVUMMOA-KRWDZBQOSA-N -1 1 341.346 2.479 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC001592558692 1349657270 /nfs/dbraw/zinc/65/72/70/1349657270.db2.gz GRJUTGFQLPFAQO-SDDRHHMPSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC001592558692 1349657275 /nfs/dbraw/zinc/65/72/75/1349657275.db2.gz GRJUTGFQLPFAQO-SDDRHHMPSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cn1 ZINC001592567883 1349659655 /nfs/dbraw/zinc/65/96/55/1349659655.db2.gz STXNYHQFWFSICD-INIZCTEOSA-N -1 1 332.371 2.197 20 0 EEADMM Cn1cc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cn1 ZINC001592567883 1349659660 /nfs/dbraw/zinc/65/96/60/1349659660.db2.gz STXNYHQFWFSICD-INIZCTEOSA-N -1 1 332.371 2.197 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001592613733 1349670527 /nfs/dbraw/zinc/67/05/27/1349670527.db2.gz JYRHXDYSNVDXNC-NXEZZACHSA-N -1 1 326.326 2.464 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001592613733 1349670532 /nfs/dbraw/zinc/67/05/32/1349670532.db2.gz JYRHXDYSNVDXNC-NXEZZACHSA-N -1 1 326.326 2.464 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001592647385 1349692711 /nfs/dbraw/zinc/69/27/11/1349692711.db2.gz RGPZZAUUFUFVGU-STQMWFEESA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647385 1349692717 /nfs/dbraw/zinc/69/27/17/1349692717.db2.gz RGPZZAUUFUFVGU-STQMWFEESA-N -1 1 341.350 2.128 20 0 EEADMM Fc1cccc(OC2CCN(c3cccnc3-c3nnn[n-]3)CC2)c1 ZINC001592658013 1349701693 /nfs/dbraw/zinc/70/16/93/1349701693.db2.gz HTCOWDYVUACEFP-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM Fc1cccc(OC2CCN(c3cccnc3-c3nn[n-]n3)CC2)c1 ZINC001592658013 1349701698 /nfs/dbraw/zinc/70/16/98/1349701698.db2.gz HTCOWDYVUACEFP-UHFFFAOYSA-N -1 1 340.362 2.449 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC2(C1)CCCC2 ZINC001593263136 1349754858 /nfs/dbraw/zinc/75/48/58/1349754858.db2.gz FEARHBHEVVIEFZ-UHFFFAOYSA-N -1 1 339.812 2.385 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@H]1CCC[C@H](F)C1 ZINC001593263811 1349755388 /nfs/dbraw/zinc/75/53/88/1349755388.db2.gz FPTDLITYASDLFE-WDSKDSINSA-N -1 1 345.791 2.379 20 0 EEADMM O=C([O-])C[C@@H](CC[NH2+]Cc1csc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001593275607 1349758258 /nfs/dbraw/zinc/75/82/58/1349758258.db2.gz DDZBERIVFBEBBW-MRVPVSSYSA-N -1 1 349.338 2.061 20 0 EEADMM O=C([O-])C[C@@H](CC[NH2+]Cc1csc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001593275607 1349758260 /nfs/dbraw/zinc/75/82/60/1349758260.db2.gz DDZBERIVFBEBBW-MRVPVSSYSA-N -1 1 349.338 2.061 20 0 EEADMM O=C([O-])[C@H]1CCCCCC[C@@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593274963 1349758483 /nfs/dbraw/zinc/75/84/83/1349758483.db2.gz SHUWKDUWXDAMPA-RYUDHWBXSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1csc(-c2nnn[n-]2)c1 ZINC001593282531 1349760435 /nfs/dbraw/zinc/76/04/35/1349760435.db2.gz XVEFFNCAIFSWFR-KGYLQXTDSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(O[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593282531 1349760437 /nfs/dbraw/zinc/76/04/37/1349760437.db2.gz XVEFFNCAIFSWFR-KGYLQXTDSA-N -1 1 346.412 2.433 20 0 EEADMM O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccsc1-c1nnn[n-]1 ZINC001593285921 1349764381 /nfs/dbraw/zinc/76/43/81/1349764381.db2.gz ZYVVMFRXDHPETL-SVRRBLITSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OC[C@H]1CC[C@@H](C(F)(F)F)O1)c1ccsc1-c1nn[n-]n1 ZINC001593285921 1349764384 /nfs/dbraw/zinc/76/43/84/1349764384.db2.gz ZYVVMFRXDHPETL-SVRRBLITSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(OCCOc1ccccc1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001593290676 1349766575 /nfs/dbraw/zinc/76/65/75/1349766575.db2.gz MOAPWYVHGMWJRP-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCCOc1ccccc1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001593290676 1349766578 /nfs/dbraw/zinc/76/65/78/1349766578.db2.gz MOAPWYVHGMWJRP-UHFFFAOYSA-N -1 1 345.746 2.151 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnc(CC2CC2)s1 ZINC001593302049 1349774453 /nfs/dbraw/zinc/77/44/53/1349774453.db2.gz MFWCOZZVMLCOAH-UHFFFAOYSA-N -1 1 342.384 2.028 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnc(CC2CC2)s1 ZINC001593302049 1349774455 /nfs/dbraw/zinc/77/44/55/1349774455.db2.gz MFWCOZZVMLCOAH-UHFFFAOYSA-N -1 1 342.384 2.028 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCC2 ZINC001593306735 1349774849 /nfs/dbraw/zinc/77/48/49/1349774849.db2.gz FHPXOYIHHRJFAF-UHFFFAOYSA-N -1 1 327.369 2.169 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCC2 ZINC001593306735 1349774851 /nfs/dbraw/zinc/77/48/51/1349774851.db2.gz FHPXOYIHHRJFAF-UHFFFAOYSA-N -1 1 327.369 2.169 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2ccncc2)C1 ZINC001593338066 1349783913 /nfs/dbraw/zinc/78/39/13/1349783913.db2.gz JFFFUGOHLSKXDZ-GFCCVEGCSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2ccncc2)C1 ZINC001593338066 1349783918 /nfs/dbraw/zinc/78/39/18/1349783918.db2.gz JFFFUGOHLSKXDZ-GFCCVEGCSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001593362564 1349791071 /nfs/dbraw/zinc/79/10/71/1349791071.db2.gz UOSUAAIKYJZKED-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001593362564 1349791075 /nfs/dbraw/zinc/79/10/75/1349791075.db2.gz UOSUAAIKYJZKED-NWDGAFQWSA-N -1 1 347.444 2.207 20 0 EEADMM O=C1NCCN1c1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1 ZINC001593409946 1349798127 /nfs/dbraw/zinc/79/81/27/1349798127.db2.gz VFNVUSBAMVPEHW-UHFFFAOYSA-N -1 1 341.400 2.070 20 0 EEADMM c1c(N[C@H]2CCCC23CCOCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543301 1349838683 /nfs/dbraw/zinc/83/86/83/1349838683.db2.gz JMWNNSPMECQSIQ-ZDUSSCGKSA-N -1 1 341.419 2.295 20 0 EEADMM c1c(N[C@H]2CCCC23CCOCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543301 1349838688 /nfs/dbraw/zinc/83/86/88/1349838688.db2.gz JMWNNSPMECQSIQ-ZDUSSCGKSA-N -1 1 341.419 2.295 20 0 EEADMM c1ccc(Oc2ccc(CNc3cncc(-c4nnn[n-]4)n3)nc2)cc1 ZINC001593577254 1349859722 /nfs/dbraw/zinc/85/97/22/1349859722.db2.gz FXQAJGHTIJTKHO-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2ccc(CNc3cncc(-c4nn[n-]n4)n3)nc2)cc1 ZINC001593577254 1349859726 /nfs/dbraw/zinc/85/97/26/1349859726.db2.gz FXQAJGHTIJTKHO-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1cncc(C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CCCC2)c1 ZINC001593587055 1349865985 /nfs/dbraw/zinc/86/59/85/1349865985.db2.gz ATEGOEAYPQQNOS-AWEZNQCLSA-N -1 1 336.403 2.265 20 0 EEADMM c1cncc(C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CCCC2)c1 ZINC001593587055 1349865989 /nfs/dbraw/zinc/86/59/89/1349865989.db2.gz ATEGOEAYPQQNOS-AWEZNQCLSA-N -1 1 336.403 2.265 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)CCN1CCC(=O)[O-] ZINC001594488269 1349876131 /nfs/dbraw/zinc/87/61/31/1349876131.db2.gz BXYNHWBRDGHNIM-GFCCVEGCSA-N -1 1 345.443 2.391 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC001600130992 1349976198 /nfs/dbraw/zinc/97/61/98/1349976198.db2.gz FKIZLPYHBQVMBN-UHFFFAOYSA-N -1 1 343.383 2.076 20 0 EEADMM Cc1cc(CN[C@H](C(=O)[O-])c2cccnc2)cc(N2CCCC2)n1 ZINC001600203988 1349992507 /nfs/dbraw/zinc/99/25/07/1349992507.db2.gz AGENKKDPTOHHRB-KRWDZBQOSA-N -1 1 326.400 2.301 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)Nc3cc(C(=O)[O-])n(C)n3)[nH]n2)o1 ZINC001600313974 1350018373 /nfs/dbraw/zinc/01/83/73/1350018373.db2.gz YRGCFEPQOBCENG-UHFFFAOYSA-N -1 1 330.304 2.054 20 0 EEADMM Cc1ccc(CN2C[C@H](O)C[C@H](C(=O)[O-])C2)c(C)c1Br ZINC001600413114 1350045262 /nfs/dbraw/zinc/04/52/62/1350045262.db2.gz PNFCMTCFADXMJE-QWHCGFSZSA-N -1 1 342.233 2.333 20 0 EEADMM Cc1ccc(CNCc2ccc(C(=O)[O-])n2C)c(O[C@@H]2CCOC2)c1 ZINC001600419991 1350046717 /nfs/dbraw/zinc/04/67/17/1350046717.db2.gz OUNRRAFSLICGLY-MRXNPFEDSA-N -1 1 344.411 2.489 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cncc(C(=O)[O-])c2)c2cccnc12 ZINC001600464026 1350057983 /nfs/dbraw/zinc/05/79/83/1350057983.db2.gz NEBPPSJZBYWUQF-UHFFFAOYSA-N -1 1 343.364 2.437 20 0 EEADMM Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C ZINC001600541044 1350077200 /nfs/dbraw/zinc/07/72/00/1350077200.db2.gz YBHGPFKYMDYWPY-TZMCWYRMSA-N -1 1 347.415 2.137 20 0 EEADMM Cc1csc(N2CCN(Cc3ccccc3CC(=O)[O-])CC2)n1 ZINC001600659718 1350112271 /nfs/dbraw/zinc/11/22/71/1350112271.db2.gz CFPIYPSBOXTBAU-UHFFFAOYSA-N -1 1 331.441 2.401 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1Br ZINC001600665406 1350113012 /nfs/dbraw/zinc/11/30/12/1350113012.db2.gz GZVCIVWHCJWKIG-UHFFFAOYSA-N -1 1 344.209 2.340 20 0 EEADMM Cc1oc(CNCc2ccc(CN3CCNC3=O)cc2)cc1C(=O)[O-] ZINC001600852197 1350152287 /nfs/dbraw/zinc/15/22/87/1350152287.db2.gz KIVYKBIANGHFLN-UHFFFAOYSA-N -1 1 343.383 2.101 20 0 EEADMM Cc1oc(CONC(=N)[C@@H]2COc3ccccc3O2)cc1C(=O)[O-] ZINC001600856051 1350153406 /nfs/dbraw/zinc/15/34/06/1350153406.db2.gz LESKFZYLHBHBBM-AWEZNQCLSA-N -1 1 332.312 2.125 20 0 EEADMM Cn1ccc([C@H]2CCC[N@@H+](Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001600975110 1350180473 /nfs/dbraw/zinc/18/04/73/1350180473.db2.gz KTVOSAHVXBQNEI-AWEZNQCLSA-N -1 1 339.399 2.305 20 0 EEADMM Cn1ccc([C@H]2CCCN(Cn3ncc4cc(C(=O)[O-])ccc43)C2)n1 ZINC001600975110 1350180476 /nfs/dbraw/zinc/18/04/76/1350180476.db2.gz KTVOSAHVXBQNEI-AWEZNQCLSA-N -1 1 339.399 2.305 20 0 EEADMM O=C([O-])[C@H](NCC(=O)Nc1ccc2ccccc2c1)C1CCOCC1 ZINC001601326929 1350258234 /nfs/dbraw/zinc/25/82/34/1350258234.db2.gz ZCLWNVBDRHTSBF-GOSISDBHSA-N -1 1 342.395 2.248 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cccc(F)c1O)CCS2 ZINC001601445625 1350285113 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CC(C)(C)Oc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)nc1 ZINC001603106203 1350641031 /nfs/dbraw/zinc/64/10/31/1350641031.db2.gz HYNXNFUGSYUWOB-UHFFFAOYSA-N -1 1 339.359 2.086 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1Cc2ccccc2C2(CC2)C1 ZINC001603141524 1350648861 /nfs/dbraw/zinc/64/88/61/1350648861.db2.gz SLYNKSYLWHNWNY-CQSZACIVSA-N -1 1 342.439 2.246 20 0 EEADMM CC(C)(F)COC(C)(C)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603157712 1350652044 /nfs/dbraw/zinc/65/20/44/1350652044.db2.gz FTFBGWWZXCXWLT-UHFFFAOYSA-N -1 1 326.328 2.160 20 0 EEADMM CC(C)(F)COC(C)(C)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603157712 1350652046 /nfs/dbraw/zinc/65/20/46/1350652046.db2.gz FTFBGWWZXCXWLT-UHFFFAOYSA-N -1 1 326.328 2.160 20 0 EEADMM CC(C)(C)N1CC[C@@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001603344931 1350692274 /nfs/dbraw/zinc/69/22/74/1350692274.db2.gz WUHYIHSNYRUXIR-UKRRQHHQSA-N -1 1 336.407 2.058 20 0 EEADMM C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC001603748135 1350757081 /nfs/dbraw/zinc/75/70/81/1350757081.db2.gz KUDCKDXZDLYIIO-LJQANCHMSA-N -1 1 348.410 2.073 20 0 EEADMM C[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC001603748135 1350757084 /nfs/dbraw/zinc/75/70/84/1350757084.db2.gz KUDCKDXZDLYIIO-LJQANCHMSA-N -1 1 348.410 2.073 20 0 EEADMM CC1(C)CC[C@H](C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001603771216 1350762053 /nfs/dbraw/zinc/76/20/53/1350762053.db2.gz YBSATUUKNOTYOL-JTQLQIEISA-N -1 1 342.403 2.099 20 0 EEADMM C[C@]1(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC[C@H]1O ZINC001603808608 1350773937 /nfs/dbraw/zinc/77/39/37/1350773937.db2.gz YGROGZBGIWEJET-JMCQJSRRSA-N -1 1 328.829 2.330 20 0 EEADMM CC1(c2nsc(NC(=O)c3ccsc3-c3nnn[n-]3)n2)CC1 ZINC001603821177 1350775793 /nfs/dbraw/zinc/77/57/93/1350775793.db2.gz FYGGCOYJQVSYCM-UHFFFAOYSA-N -1 1 333.402 2.084 20 0 EEADMM CC1(c2nsc(NC(=O)c3ccsc3-c3nn[n-]n3)n2)CC1 ZINC001603821177 1350775798 /nfs/dbraw/zinc/77/57/98/1350775798.db2.gz FYGGCOYJQVSYCM-UHFFFAOYSA-N -1 1 333.402 2.084 20 0 EEADMM C[C@]12CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]1C2(F)F ZINC001603824982 1350777453 /nfs/dbraw/zinc/77/74/53/1350777453.db2.gz IXSRTGDLYVEYDZ-FWOIEVBISA-N -1 1 332.767 2.458 20 0 EEADMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cccc(-c4nnn[n-]4)n3)cc21 ZINC001603842625 1350780270 /nfs/dbraw/zinc/78/02/70/1350780270.db2.gz ORVIONAYKMWQAI-LLVKDONJSA-N -1 1 349.398 2.344 20 0 EEADMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cccc(-c4nn[n-]n4)n3)cc21 ZINC001603842625 1350780275 /nfs/dbraw/zinc/78/02/75/1350780275.db2.gz ORVIONAYKMWQAI-LLVKDONJSA-N -1 1 349.398 2.344 20 0 EEADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[n-]n2)C1 ZINC001603885634 1350792425 /nfs/dbraw/zinc/79/24/25/1350792425.db2.gz DWCJIVVMWUXVDR-GXSJLCMTSA-N -1 1 345.407 2.001 20 0 EEADMM C[C@H]1CN(Cc2csc(-c3nn[n-]n3)c2)C[C@@H](CC(F)(F)F)O1 ZINC001603935536 1350805581 /nfs/dbraw/zinc/80/55/81/1350805581.db2.gz GUTYJWLQQJRJIL-WCBMZHEXSA-N -1 1 347.366 2.470 20 0 EEADMM CCCCCC(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001604168774 1350881246 /nfs/dbraw/zinc/88/12/46/1350881246.db2.gz ISRQRAPOSKVMIB-VOTSOKGWSA-N -1 1 349.464 2.296 20 0 EEADMM CCCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001604171955 1350882167 /nfs/dbraw/zinc/88/21/67/1350882167.db2.gz ORRGSUWWOXFUKJ-VIFPVBQESA-N -1 1 329.451 2.175 20 0 EEADMM CCCCC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001604171955 1350882173 /nfs/dbraw/zinc/88/21/73/1350882173.db2.gz ORRGSUWWOXFUKJ-VIFPVBQESA-N -1 1 329.451 2.175 20 0 EEADMM CCCCCCO[C@@H](C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001604177041 1350883936 /nfs/dbraw/zinc/88/39/36/1350883936.db2.gz CYWMRIWAWHYZHA-NSHDSACASA-N -1 1 333.392 2.496 20 0 EEADMM CCCCCC[C@H](C)NC(=O)COC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001604176732 1350884518 /nfs/dbraw/zinc/88/45/18/1350884518.db2.gz XQYYEMLHBLRROY-NSHDSACASA-N -1 1 349.391 2.092 20 0 EEADMM CCCCCC[C@H](C)NC(=O)COC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001604176732 1350884520 /nfs/dbraw/zinc/88/45/20/1350884520.db2.gz XQYYEMLHBLRROY-NSHDSACASA-N -1 1 349.391 2.092 20 0 EEADMM CCCN(C(=O)[C@@H]1CCSC1)c1snc(C)c1-c1nnn[n-]1 ZINC001604194129 1350891007 /nfs/dbraw/zinc/89/10/07/1350891007.db2.gz MHQVECSXRJHRCA-SECBINFHSA-N -1 1 338.462 2.128 20 0 EEADMM CCCN(C(=O)[C@@H]1CCSC1)c1snc(C)c1-c1nn[n-]n1 ZINC001604194129 1350891009 /nfs/dbraw/zinc/89/10/09/1350891009.db2.gz MHQVECSXRJHRCA-SECBINFHSA-N -1 1 338.462 2.128 20 0 EEADMM CCCOC(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001604227723 1350898094 /nfs/dbraw/zinc/89/80/94/1350898094.db2.gz BDQMETJSGWUCSJ-UHFFFAOYSA-N -1 1 346.391 2.088 20 0 EEADMM CCCn1ccc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1 ZINC001604252600 1350903197 /nfs/dbraw/zinc/90/31/97/1350903197.db2.gz SLKWZHOOTXYOAU-UHFFFAOYSA-N -1 1 349.398 2.490 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)[C@@H]1CCCC[C@H]1C ZINC001604263801 1350905032 /nfs/dbraw/zinc/90/50/32/1350905032.db2.gz KWXDZFPYASSSHB-ZWNOBZJWSA-N -1 1 344.419 2.317 20 0 EEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(C)c1F ZINC001604266570 1350905653 /nfs/dbraw/zinc/90/56/53/1350905653.db2.gz MGZRAVPRDIIYKY-UHFFFAOYSA-N -1 1 326.335 2.376 20 0 EEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(C)c1F ZINC001604266570 1350905655 /nfs/dbraw/zinc/90/56/55/1350905655.db2.gz MGZRAVPRDIIYKY-UHFFFAOYSA-N -1 1 326.335 2.376 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC001604493814 1350948945 /nfs/dbraw/zinc/94/89/45/1350948945.db2.gz NEHXEWPHAJNVOJ-RDTXWAMCSA-N -1 1 349.431 2.313 20 0 EEADMM CCc1nc(Oc2cccnc2Br)cc(-c2nnn[n-]2)n1 ZINC001604570292 1350962196 /nfs/dbraw/zinc/96/21/96/1350962196.db2.gz AGBKUSCCJSOEEG-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CCc1nc(Oc2cccnc2Br)cc(-c2nn[n-]n2)n1 ZINC001604570292 1350962199 /nfs/dbraw/zinc/96/21/99/1350962199.db2.gz AGBKUSCCJSOEEG-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CCn1c(SCc2nc(-c3nnn[n-]3)cs2)nnc1C1CC1 ZINC001604599380 1350967842 /nfs/dbraw/zinc/96/78/42/1350967842.db2.gz CXXPDMJIEFCOIB-UHFFFAOYSA-N -1 1 334.434 2.104 20 0 EEADMM CCn1c(SCc2nc(-c3nn[n-]n3)cs2)nnc1C1CC1 ZINC001604599380 1350967844 /nfs/dbraw/zinc/96/78/44/1350967844.db2.gz CXXPDMJIEFCOIB-UHFFFAOYSA-N -1 1 334.434 2.104 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(Br)cc1 ZINC001604658103 1350979140 /nfs/dbraw/zinc/97/91/40/1350979140.db2.gz IPIYWCGZQMESDR-UHFFFAOYSA-N -1 1 348.160 2.499 20 0 EEADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604728835 1350992708 /nfs/dbraw/zinc/99/27/08/1350992708.db2.gz DOBSZWMYSFRHEA-SNVBAGLBSA-N -1 1 332.795 2.343 20 0 EEADMM CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc([O-])cc1F ZINC001604789514 1351004423 /nfs/dbraw/zinc/00/44/23/1351004423.db2.gz UFAAOIZRHYTCEG-UHFFFAOYSA-N -1 1 341.346 2.026 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCc1ccc(Cl)cc1 ZINC001604791461 1351005359 /nfs/dbraw/zinc/00/53/59/1351005359.db2.gz XGMCUYDGFCJVHP-CYBMUJFWSA-N -1 1 338.835 2.280 20 0 EEADMM CN1C(=O)C(=Cc2nc(-c3nnn[n-]3)cs2)c2cc(Cl)ccc21 ZINC001604839088 1351018383 /nfs/dbraw/zinc/01/83/83/1351018383.db2.gz AUGWEEOSTJFGQW-UITAMQMPSA-N -1 1 344.787 2.494 20 0 EEADMM CN1C(=O)C(=Cc2nc(-c3nn[n-]n3)cs2)c2cc(Cl)ccc21 ZINC001604839088 1351018388 /nfs/dbraw/zinc/01/83/88/1351018388.db2.gz AUGWEEOSTJFGQW-UITAMQMPSA-N -1 1 344.787 2.494 20 0 EEADMM CN=[S@](C)(=O)c1cccc(Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001604872434 1351023900 /nfs/dbraw/zinc/02/39/00/1351023900.db2.gz HXOZDOXKKLCGFI-HSZRJFAPSA-N -1 1 349.445 2.462 20 0 EEADMM COC(=O)[C@]1(NCc2ccc(-c3nnn[n-]3)o2)CCCC(C)(C)C1 ZINC001604917179 1351031422 /nfs/dbraw/zinc/03/14/22/1351031422.db2.gz JDCNZGFPOZAMFG-INIZCTEOSA-N -1 1 333.392 2.061 20 0 EEADMM COC(=O)[C@]1(NCc2ccc(-c3nn[n-]n3)o2)CCCC(C)(C)C1 ZINC001604917179 1351031427 /nfs/dbraw/zinc/03/14/27/1351031427.db2.gz JDCNZGFPOZAMFG-INIZCTEOSA-N -1 1 333.392 2.061 20 0 EEADMM COc1ccc(OC)c([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605304960 1351130639 /nfs/dbraw/zinc/13/06/39/1351130639.db2.gz XNGIQTRVTYNFLV-SECBINFHSA-N -1 1 341.375 2.155 20 0 EEADMM COc1ccc(OC)c([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605304960 1351130642 /nfs/dbraw/zinc/13/06/42/1351130642.db2.gz XNGIQTRVTYNFLV-SECBINFHSA-N -1 1 341.375 2.155 20 0 EEADMM COc1ncc(NC(=O)N(C)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001605346652 1351141677 /nfs/dbraw/zinc/14/16/77/1351141677.db2.gz DCABCWPXRNBYOW-UHFFFAOYSA-N -1 1 331.380 2.067 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@H](C)c2ccc(Cl)cc2)nn1C ZINC001605465586 1351164368 /nfs/dbraw/zinc/16/43/68/1351164368.db2.gz TXOFAHSJGLETPY-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@H](C)c2ccc(Cl)cc2)nn1C ZINC001605465586 1351164369 /nfs/dbraw/zinc/16/43/69/1351164369.db2.gz TXOFAHSJGLETPY-MRVPVSSYSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])sc1C=O ZINC001605624176 1351203105 /nfs/dbraw/zinc/20/31/05/1351203105.db2.gz BOMIDWCLJWFSKA-UHFFFAOYSA-N -1 1 329.341 2.007 20 0 EEADMM CCOc1ccc(NC(=O)CNCc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001605692702 1351215971 /nfs/dbraw/zinc/21/59/71/1351215971.db2.gz NWHPWUXETFLTNB-UHFFFAOYSA-N -1 1 331.372 2.148 20 0 EEADMM CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC001605731613 1351219215 /nfs/dbraw/zinc/21/92/15/1351219215.db2.gz OGEDLXWMBBRKEO-MLGOLLRUSA-N -1 1 348.424 2.352 20 0 EEADMM Cc1ccc(C[C@@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001605842721 1351233866 /nfs/dbraw/zinc/23/38/66/1351233866.db2.gz YBEUOFGFXZSJPH-LBPRGKRZSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(C[C@@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001605842721 1351233870 /nfs/dbraw/zinc/23/38/70/1351233870.db2.gz YBEUOFGFXZSJPH-LBPRGKRZSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3cc(C)ccc3o2)c1-c1nnn[n-]1 ZINC001605893962 1351248749 /nfs/dbraw/zinc/24/87/49/1351248749.db2.gz AJDSZJHCJOHKOU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3cc(C)ccc3o2)c1-c1nn[n-]n1 ZINC001605893962 1351248751 /nfs/dbraw/zinc/24/87/51/1351248751.db2.gz AJDSZJHCJOHKOU-UHFFFAOYSA-N -1 1 337.343 2.216 20 0 EEADMM Cc1cccc(C(=O)C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001605900062 1351250811 /nfs/dbraw/zinc/25/08/11/1351250811.db2.gz WRRIANMGQBNRKR-UHFFFAOYSA-N -1 1 348.775 2.106 20 0 EEADMM Cc1nnc(Sc2cncc(-c3nnn[n-]3)n2)n1C1CCCCC1 ZINC001606124064 1351274936 /nfs/dbraw/zinc/27/49/36/1351274936.db2.gz NNJBBNDTKDGDMZ-UHFFFAOYSA-N -1 1 343.420 2.213 20 0 EEADMM Cc1nnc(Sc2cncc(-c3nn[n-]n3)n2)n1C1CCCCC1 ZINC001606124064 1351274939 /nfs/dbraw/zinc/27/49/39/1351274939.db2.gz NNJBBNDTKDGDMZ-UHFFFAOYSA-N -1 1 343.420 2.213 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1nc2ccccc2s1 ZINC001606168450 1351281048 /nfs/dbraw/zinc/28/10/48/1351281048.db2.gz HMCIUZXMTKDDGH-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1nc2ccccc2s1 ZINC001606168450 1351281051 /nfs/dbraw/zinc/28/10/51/1351281051.db2.gz HMCIUZXMTKDDGH-UHFFFAOYSA-N -1 1 340.368 2.308 20 0 EEADMM FC(F)(F)c1cc(-c2nnn[n-]2)nc(N2CCC23CCOCC3)c1 ZINC001606291799 1351289125 /nfs/dbraw/zinc/28/91/25/1351289125.db2.gz DOQHAIKEBHYUFP-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM FC(F)(F)c1cc(-c2nn[n-]n2)nc(N2CCC23CCOCC3)c1 ZINC001606291799 1351289128 /nfs/dbraw/zinc/28/91/28/1351289128.db2.gz DOQHAIKEBHYUFP-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2ccccc2)s1 ZINC001606446468 1351303377 /nfs/dbraw/zinc/30/33/77/1351303377.db2.gz QYYMNXOHTXAJAJ-UHFFFAOYSA-N -1 1 337.368 2.062 20 0 EEADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001606469745 1351306851 /nfs/dbraw/zinc/30/68/51/1351306851.db2.gz MLKLMTLEBORBAL-SNVBAGLBSA-N -1 1 348.357 2.366 20 0 EEADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001606469745 1351306856 /nfs/dbraw/zinc/30/68/56/1351306856.db2.gz MLKLMTLEBORBAL-SNVBAGLBSA-N -1 1 348.357 2.366 20 0 EEADMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001606498833 1351312704 /nfs/dbraw/zinc/31/27/04/1351312704.db2.gz PBDMSVRMTMPAHM-JGVFFNPUSA-N -1 1 343.313 2.287 20 0 EEADMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001606498833 1351312706 /nfs/dbraw/zinc/31/27/06/1351312706.db2.gz PBDMSVRMTMPAHM-JGVFFNPUSA-N -1 1 343.313 2.287 20 0 EEADMM COC(=O)c1cc(CNCc2ccc(C(=O)[O-])c(F)c2)n(C)c1C ZINC001606543808 1351320609 /nfs/dbraw/zinc/32/06/09/1351320609.db2.gz JJEBNVUXNMSLLE-UHFFFAOYSA-N -1 1 334.347 2.247 20 0 EEADMM O=C(Cc1cccc(C(F)F)c1)OCc1cccnc1-c1nnn[n-]1 ZINC001606602790 1351330684 /nfs/dbraw/zinc/33/06/84/1351330684.db2.gz GHLKHEJYGVWMQZ-UHFFFAOYSA-N -1 1 345.309 2.485 20 0 EEADMM O=C(Cc1cccc(C(F)F)c1)OCc1cccnc1-c1nn[n-]n1 ZINC001606602790 1351330685 /nfs/dbraw/zinc/33/06/85/1351330685.db2.gz GHLKHEJYGVWMQZ-UHFFFAOYSA-N -1 1 345.309 2.485 20 0 EEADMM COC(=O)c1ccoc1CN[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001606622658 1351333438 /nfs/dbraw/zinc/33/34/38/1351333438.db2.gz ZSQMIBGEBNKPAS-DOMZBBRYSA-N -1 1 331.368 2.488 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1-c1nnn[n-]1 ZINC001606682480 1351341673 /nfs/dbraw/zinc/34/16/73/1351341673.db2.gz FJLCYNRXGNSDMC-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccsc1-c1nn[n-]n1 ZINC001606682480 1351341679 /nfs/dbraw/zinc/34/16/79/1351341679.db2.gz FJLCYNRXGNSDMC-SNVBAGLBSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001606684040 1351342212 /nfs/dbraw/zinc/34/22/12/1351342212.db2.gz BWFWLWAJRLSJAE-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001606684040 1351342214 /nfs/dbraw/zinc/34/22/14/1351342214.db2.gz BWFWLWAJRLSJAE-LBPRGKRZSA-N -1 1 340.774 2.332 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(F)s1 ZINC001606816766 1351360132 /nfs/dbraw/zinc/36/01/32/1351360132.db2.gz SKUBUGDGCWLAIU-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(F)s1 ZINC001606816766 1351360135 /nfs/dbraw/zinc/36/01/35/1351360135.db2.gz SKUBUGDGCWLAIU-UHFFFAOYSA-N -1 1 339.302 2.276 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC2CCC1CC2 ZINC001606949698 1351383163 /nfs/dbraw/zinc/38/31/63/1351383163.db2.gz JCMDDLGTGWMKFO-UHFFFAOYSA-N -1 1 339.812 2.383 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1nccc2ccccc21 ZINC001606982688 1351392238 /nfs/dbraw/zinc/39/22/38/1351392238.db2.gz UZMUIXQLJCIEQW-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1nccc2ccccc21 ZINC001606982688 1351392243 /nfs/dbraw/zinc/39/22/43/1351392243.db2.gz UZMUIXQLJCIEQW-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1csc(-c2nnn[n-]2)c1 ZINC001606990549 1351394380 /nfs/dbraw/zinc/39/43/80/1351394380.db2.gz IOBZSEUASIONCZ-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=C(Oc1ccc2ccc(=O)oc2c1)c1csc(-c2nn[n-]n2)c1 ZINC001606990549 1351394383 /nfs/dbraw/zinc/39/43/83/1351394383.db2.gz IOBZSEUASIONCZ-UHFFFAOYSA-N -1 1 340.320 2.254 20 0 EEADMM O=C(c1cccs1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001607024942 1351400066 /nfs/dbraw/zinc/40/00/66/1351400066.db2.gz JEVRFUXLTDWFAQ-UHFFFAOYSA-N -1 1 340.412 2.423 20 0 EEADMM O=C(c1cccs1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001607024942 1351400069 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EEADMM c1ccc([C@@H](C[C@@H]2CCOC2)Nc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001607127138 1351430140 /nfs/dbraw/zinc/43/01/40/1351430140.db2.gz SSQQWMWFBIBKAN-XJKSGUPXSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001607130040 1351431823 /nfs/dbraw/zinc/43/18/23/1351431823.db2.gz ZWKKJGHZCYEERS-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001607130040 1351431824 /nfs/dbraw/zinc/43/18/24/1351431824.db2.gz ZWKKJGHZCYEERS-BBRMVZONSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4cncc(-c5nnn[n-]5)n4)C3)nc2c1 ZINC001607131379 1351433106 /nfs/dbraw/zinc/43/31/06/1351433106.db2.gz ARBYWEOGZKEULX-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4cncc(-c5nn[n-]n5)n4)C3)nc2c1 ZINC001607131379 1351433109 /nfs/dbraw/zinc/43/31/09/1351433109.db2.gz ARBYWEOGZKEULX-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM COc1ccc([C@@H](NCc2cccc3nccn32)C(=O)[O-])c(OC)c1 ZINC001607233773 1351455353 /nfs/dbraw/zinc/45/53/53/1351455353.db2.gz ARMLDURXJAPINW-QGZVFWFLSA-N -1 1 341.367 2.267 20 0 EEADMM C[C@H]1C[C@@H](O)CN(Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001607480289 1351500868 /nfs/dbraw/zinc/50/08/68/1351500868.db2.gz WNXYCAPFHJVTBD-GXSJLCMTSA-N -1 1 328.206 2.350 20 0 EEADMM Cc1cccnc1CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001607891554 1351580145 /nfs/dbraw/zinc/58/01/45/1351580145.db2.gz UYTLKXNVFKPIDV-HNNXBMFYSA-N -1 1 325.368 2.131 20 0 EEADMM Cc1ccnc(-c2nnc([C@H](C)[NH2+]Cc3ccc(C(=O)[O-])n3C)[n-]2)c1 ZINC001607893206 1351580729 /nfs/dbraw/zinc/58/07/29/1351580729.db2.gz MNPSCVOJNJJNNA-NSHDSACASA-N -1 1 340.387 2.063 20 0 EEADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001607901240 1351582494 /nfs/dbraw/zinc/58/24/94/1351582494.db2.gz BFWFUASVWJAIFX-MCIONIFRSA-N -1 1 336.457 2.167 20 0 EEADMM Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccc12 ZINC001607938808 1351589795 /nfs/dbraw/zinc/58/97/95/1351589795.db2.gz ATHHAUXDHORXJE-UHFFFAOYSA-N -1 1 347.352 2.076 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/nfs/dbraw/zinc/64/86/99/1352648699.db2.gz QMZUHQXQPFHQOH-UHFFFAOYSA-N -1 1 347.325 2.072 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc2c(c1)-c1ccccc1C2 ZINC001641490281 1352722231 /nfs/dbraw/zinc/72/22/31/1352722231.db2.gz SHQSLQPQEUOAEP-UHFFFAOYSA-N -1 1 333.347 2.389 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC001647128980 1353155159 /nfs/dbraw/zinc/15/51/59/1353155159.db2.gz VPOWSPBCWQBGQE-PCTYZZJISA-N -1 1 349.399 2.311 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCSC1 ZINC001647607444 1353345319 /nfs/dbraw/zinc/34/53/19/1353345319.db2.gz DYBFMCBPJQLRBU-UHFFFAOYSA-N -1 1 330.413 2.018 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc(C(F)F)c2)c1 ZINC001649764850 1353590116 /nfs/dbraw/zinc/59/01/16/1353590116.db2.gz RUHOALIGCDERTB-UHFFFAOYSA-N -1 1 345.323 2.482 20 0 EEADMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001649808819 1353607050 /nfs/dbraw/zinc/60/70/50/1353607050.db2.gz BXDGFKUVXKJEGD-HTQZYQBOSA-N -1 1 340.214 2.290 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CC(C2CC2)C2CC2)cc1 ZINC000065638832 1354047725 /nfs/dbraw/zinc/04/77/25/1354047725.db2.gz KUPCBDSDJFOXQR-UHFFFAOYSA-N -1 1 345.395 2.321 20 0 EEADMM Cc1cnc(SCc2nc3cc(F)ccc3n(C)c2=O)[n-]c1=O ZINC001652851475 1354105829 /nfs/dbraw/zinc/10/58/29/1354105829.db2.gz LHNNELVPVOXOBJ-UHFFFAOYSA-N -1 1 332.360 2.169 20 0 EEADMM C[C@@H](C(=O)N(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001388848493 1387749079 /nfs/dbraw/zinc/74/90/79/1387749079.db2.gz JFBONMGNVLPQSQ-KBPBESRZSA-N -1 1 347.459 2.390 20 0 EEADMM CCc1ccc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])s1 ZINC001388993643 1387868434 /nfs/dbraw/zinc/86/84/34/1387868434.db2.gz XPQQNBVATVAWPE-UHFFFAOYSA-N -1 1 347.440 2.255 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)n2)c(Cl)n1 ZINC001190063016 1368390913 /nfs/dbraw/zinc/39/09/13/1368390913.db2.gz IMLHJOPDHPZVLQ-UHFFFAOYSA-N -1 1 347.755 2.087 20 0 EEADMM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000867159742 1368584951 /nfs/dbraw/zinc/58/49/51/1368584951.db2.gz UNCDHGLLVMNKFO-MRVPVSSYSA-N -1 1 336.255 2.419 20 0 EEADMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CO)cc1F ZINC001198693910 1368640766 /nfs/dbraw/zinc/64/07/66/1368640766.db2.gz VOGURHGYMPHRBZ-UHFFFAOYSA-N -1 1 346.767 2.176 20 0 EEADMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl)C1CC1 ZINC000867287676 1368645943 /nfs/dbraw/zinc/64/59/43/1368645943.db2.gz JVLQNDQHZRYTHZ-LBPRGKRZSA-N -1 1 339.244 2.482 20 0 EEADMM CCc1cc(C(=O)Nc2nc(Br)ccc2[O-])cc(=O)[nH]1 ZINC000121597142 1368839451 /nfs/dbraw/zinc/83/94/51/1368839451.db2.gz MQSQOQVJBIZBDC-UHFFFAOYSA-N -1 1 338.161 2.053 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)C12CCC(CC1)C2)NC(=O)c1ncccc1[O-] ZINC001488777888 1369066581 /nfs/dbraw/zinc/06/65/81/1369066581.db2.gz CGGFKRWVIFTEDQ-VZBZIDJMSA-N -1 1 345.443 2.381 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C/c2ccccc2)cc1 ZINC000010898359 1369410716 /nfs/dbraw/zinc/41/07/16/1369410716.db2.gz UGALDBICXGQJTF-KPKJPENVSA-N -1 1 339.347 2.208 20 0 EEADMM COCCOC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000117320406 1369461460 /nfs/dbraw/zinc/46/14/60/1369461460.db2.gz SSANRXCLEDUNPK-UHFFFAOYSA-N -1 1 349.460 2.088 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CCCc1cccs1 ZINC001389283754 1388017662 /nfs/dbraw/zinc/01/76/62/1388017662.db2.gz DNTQGRLXMGBFTK-GFCCVEGCSA-N -1 1 347.440 2.106 20 0 EEADMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001118130595 1371777883 /nfs/dbraw/zinc/77/78/83/1371777883.db2.gz DRWGHFWGWPNSOQ-BDAKNGLRSA-N -1 1 341.260 2.464 20 0 EEADMM CCCc1[nH]ccc1C(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000830794846 1372350137 /nfs/dbraw/zinc/35/01/37/1372350137.db2.gz CXZZSKJQUZAMNP-CQSZACIVSA-N -1 1 331.338 2.250 20 0 EEADMM CCCOc1ccc(-c2nc(C(=O)N(C)c3nn[n-]n3)cs2)cc1 ZINC001353528242 1373006005 /nfs/dbraw/zinc/00/60/05/1373006005.db2.gz RPRFPHOJABXRIY-UHFFFAOYSA-N -1 1 344.400 2.389 20 0 EEADMM COC(=O)c1cc(C(=O)[N-]c2c(F)cccc2-n2cccn2)no1 ZINC001360169199 1373275317 /nfs/dbraw/zinc/27/53/17/1373275317.db2.gz XDBACUIEQLNCCO-UHFFFAOYSA-N -1 1 330.275 2.038 20 0 EEADMM C[C@@H](CSC(F)(F)F)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001362435921 1373409841 /nfs/dbraw/zinc/40/98/41/1373409841.db2.gz RTECJNSPWCMWKJ-JGVFFNPUSA-N -1 1 339.339 2.370 20 0 EEADMM NC(=O)c1cc(C(=O)Nc2cccc([O-])c2Br)co1 ZINC001362460146 1373414850 /nfs/dbraw/zinc/41/48/50/1373414850.db2.gz COBXURCSMCMYBE-UHFFFAOYSA-N -1 1 325.118 2.099 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)c(=O)[n-]1 ZINC001362470708 1373419159 /nfs/dbraw/zinc/41/91/59/1373419159.db2.gz PMLSHQNEHNYAEZ-MFKMUULPSA-N -1 1 333.413 2.146 20 0 EEADMM COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)Cc2ccccc21 ZINC001363407158 1373512783 /nfs/dbraw/zinc/51/27/83/1373512783.db2.gz OFRMQKDEAKADGY-AWEZNQCLSA-N -1 1 329.327 2.444 20 0 EEADMM COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)Cc2ccccc21 ZINC001363407159 1373514032 /nfs/dbraw/zinc/51/40/32/1373514032.db2.gz OFRMQKDEAKADGY-CQSZACIVSA-N -1 1 329.327 2.444 20 0 EEADMM COC(=O)[C@@H]1CN(C(=O)c2cccc([O-])c2F)Cc2ccccc21 ZINC001363407433 1373514374 /nfs/dbraw/zinc/51/43/74/1373514374.db2.gz QIQMUUIXQLOMNZ-CQSZACIVSA-N -1 1 329.327 2.444 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1noc(C)n1 ZINC001365134137 1373674931 /nfs/dbraw/zinc/67/49/31/1373674931.db2.gz UEDWZZTWQDWVMC-JTQLQIEISA-N -1 1 345.808 2.470 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001371257626 1375329724 /nfs/dbraw/zinc/32/97/24/1375329724.db2.gz YZTFRYRCISEGHX-UONOGXRCSA-N -1 1 347.459 2.438 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)Cc1cccs1 ZINC001371327686 1375385648 /nfs/dbraw/zinc/38/56/48/1375385648.db2.gz VEXLRPZBIUOWQM-GFCCVEGCSA-N -1 1 347.440 2.058 20 0 EEADMM CCCc1nc(CN(CC)CCNC(=O)c2ncccc2[O-])cs1 ZINC001372321569 1375933148 /nfs/dbraw/zinc/93/31/48/1375933148.db2.gz ZSCZAJVAPUIAEK-UHFFFAOYSA-N -1 1 348.472 2.448 20 0 EEADMM CC(C)CC1(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001375698315 1377932238 /nfs/dbraw/zinc/93/22/38/1377932238.db2.gz UAWYDEJUBSXWIH-CQSZACIVSA-N -1 1 347.459 2.486 20 0 EEADMM C[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)CC(C)(C)C1CCCCC1 ZINC001379446284 1380706992 /nfs/dbraw/zinc/70/69/92/1380706992.db2.gz BWPUJXPMJVBVCT-GFCCVEGCSA-N -1 1 337.468 2.101 20 0 EEADMM CCCC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1(CC)CC1 ZINC001381101950 1381513877 /nfs/dbraw/zinc/51/38/77/1381513877.db2.gz HVZQLHNGMOGOQY-CYBMUJFWSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)CCC(F)(F)F ZINC001384522102 1384398682 /nfs/dbraw/zinc/39/86/82/1384398682.db2.gz CETXQTAZOMZDTK-UWVGGRQHSA-N -1 1 347.337 2.143 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386960947 1386417546 /nfs/dbraw/zinc/41/75/46/1386417546.db2.gz GTCNXBDVWNFPFR-OLZOCXBDSA-N -1 1 335.448 2.484 20 0 EEADMM CC1(C)C[C@@H]1C(=O)NCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001391484156 1389389481 /nfs/dbraw/zinc/38/94/81/1389389481.db2.gz UKJVADFSTTZWGL-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)CC(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)C ZINC001391583884 1389453461 /nfs/dbraw/zinc/45/34/61/1389453461.db2.gz OOLBBBSQRBUGOK-ZDUSSCGKSA-N -1 1 335.448 2.484 20 0 EEADMM CCC1(C(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CCCCC2)CCC1 ZINC001392170794 1389860651 /nfs/dbraw/zinc/86/06/51/1389860651.db2.gz HVKQDPCIUUMFJL-CQSZACIVSA-N -1 1 349.479 2.245 20 0 EEADMM C[C@H]1CC(C(=O)NC2(CNC(=O)c3ncccc3[O-])CC2)C[C@H](C)C1 ZINC001393611169 1390493443 /nfs/dbraw/zinc/49/34/43/1390493443.db2.gz QHRULSCAEHKHFZ-CHWSQXEVSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccccc1Cl ZINC001395071475 1390781487 /nfs/dbraw/zinc/78/14/87/1390781487.db2.gz XEZXIIRZCYNELF-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NCCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001397985170 1391598493 /nfs/dbraw/zinc/59/84/93/1391598493.db2.gz KEFMGDBGMWXUMI-HDJSIYSDSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC(CCC)C(=O)N1CCCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001398759535 1394177464 /nfs/dbraw/zinc/17/74/64/1394177464.db2.gz KRUZVJSBSMZMJY-AWEZNQCLSA-N -1 1 337.468 2.197 20 0 EEADMM O=C(CCC1CC1)N1CCCC[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001399515069 1395186777 /nfs/dbraw/zinc/18/67/77/1395186777.db2.gz NRQQVPVURIJUHU-HNNXBMFYSA-N -1 1 345.443 2.478 20 0 EEADMM CC1(C(=O)NCC2(C)CCN(C(=O)c3ncccc3[O-])CC2)CCC1 ZINC001400996323 1396811544 /nfs/dbraw/zinc/81/15/44/1396811544.db2.gz HILCLACQDZXFCT-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCCC[C@H](CN[C@H](C)c1nnc(C)o1)NC(=O)c1ncccc1[O-] ZINC001422687543 1400124473 /nfs/dbraw/zinc/12/44/73/1400124473.db2.gz SVCZBVDFSANOKK-DGCLKSJQSA-N -1 1 347.419 2.118 20 0 EEADMM CC(C)OC1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)CCCCC1 ZINC001423812950 1400803849 /nfs/dbraw/zinc/80/38/49/1400803849.db2.gz KUEPNEWEPVVDRJ-UHFFFAOYSA-N -1 1 349.884 2.480 20 0 EEADMM CC(C)[C@H](CCN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccco1 ZINC001426919196 1402252979 /nfs/dbraw/zinc/25/29/79/1402252979.db2.gz WGXUACZQULVANN-ZDUSSCGKSA-N -1 1 345.399 2.297 20 0 EEADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001428434845 1402713766 /nfs/dbraw/zinc/71/37/66/1402713766.db2.gz SLABTFWWRPVSLO-SZOQZIPDSA-N -1 1 345.443 2.046 20 0 EEADMM CO[C@@H](CC(C)C)C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001434128648 1403457255 /nfs/dbraw/zinc/45/72/55/1403457255.db2.gz LZVHTDLVXXDJAJ-SRVKXCTJSA-N -1 1 338.370 2.106 20 0 EEADMM CC(C)Sc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001574357535 1403520647 /nfs/dbraw/zinc/52/06/47/1403520647.db2.gz GYMGGSVJQCGPAP-UHFFFAOYSA-N -1 1 329.389 2.343 20 0 EEADMM CC(C)Sc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001574357535 1403520653 /nfs/dbraw/zinc/52/06/53/1403520653.db2.gz GYMGGSVJQCGPAP-UHFFFAOYSA-N -1 1 329.389 2.343 20 0 EEADMM CCC(=O)c1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001576484926 1403578767 /nfs/dbraw/zinc/57/87/67/1403578767.db2.gz VJVWVVXXZJBNOE-UHFFFAOYSA-N -1 1 336.355 2.131 20 0 EEADMM CCc1cnc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001578556436 1403769566 /nfs/dbraw/zinc/76/95/66/1403769566.db2.gz XOPUJJODSYOLGY-UHFFFAOYSA-N -1 1 335.418 2.269 20 0 EEADMM COc1cc(C)cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1C ZINC001579916302 1403797715 /nfs/dbraw/zinc/79/77/15/1403797715.db2.gz IJRVHDUIEJEUGE-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1cc(C)cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1C ZINC001579916302 1403797721 /nfs/dbraw/zinc/79/77/21/1403797721.db2.gz IJRVHDUIEJEUGE-UHFFFAOYSA-N -1 1 338.371 2.068 20 0 EEADMM COc1ncc(NC(=O)C(C)(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001580130808 1403834198 /nfs/dbraw/zinc/83/41/98/1403834198.db2.gz YGYUGDFNSWTMDP-UHFFFAOYSA-N -1 1 338.371 2.187 20 0 EEADMM CCOc1ccc(CCNC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001590835385 1403900435 /nfs/dbraw/zinc/90/04/35/1403900435.db2.gz DREHCUZCUWKNAK-UHFFFAOYSA-N -1 1 343.412 2.299 20 0 EEADMM COCc1ccccc1COC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591459928 1403917109 /nfs/dbraw/zinc/91/71/09/1403917109.db2.gz WIBYOWPDBKKNEF-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COCc1ccccc1COC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591459928 1403917114 /nfs/dbraw/zinc/91/71/14/1403917114.db2.gz WIBYOWPDBKKNEF-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COc1cccc(Cl)c1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001591639506 1403932116 /nfs/dbraw/zinc/93/21/16/1403932116.db2.gz FRSCFDRDWVXPCQ-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM COc1cccc(Cl)c1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001591639506 1403932124 /nfs/dbraw/zinc/93/21/24/1403932124.db2.gz FRSCFDRDWVXPCQ-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2COc3c2cccc3Cl)n1 ZINC001591894081 1403970490 /nfs/dbraw/zinc/97/04/90/1403970490.db2.gz YVKNUUQTIZFGLQ-NSHDSACASA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2COc3c2cccc3Cl)n1 ZINC001591894081 1403970496 /nfs/dbraw/zinc/97/04/96/1403970496.db2.gz YVKNUUQTIZFGLQ-NSHDSACASA-N -1 1 329.751 2.164 20 0 EEADMM Cc1nc(N[C@H](C)c2cnn(CC3CCC3)c2)cc(-c2nnn[n-]2)n1 ZINC001592380988 1404027722 /nfs/dbraw/zinc/02/77/22/1404027722.db2.gz SMTIXMANAYOYAH-SNVBAGLBSA-N -1 1 339.407 2.135 20 0 EEADMM Cc1nc(N[C@H](C)c2cnn(CC3CCC3)c2)cc(-c2nn[n-]n2)n1 ZINC001592380988 1404027730 /nfs/dbraw/zinc/02/77/30/1404027730.db2.gz SMTIXMANAYOYAH-SNVBAGLBSA-N -1 1 339.407 2.135 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592481748 1404701149 /nfs/dbraw/zinc/70/11/49/1404701149.db2.gz VDPPXZOQQDAQOS-SSDOTTSWSA-N -1 1 343.363 2.189 20 0 EEADMM Cc1nsc(NC(=O)NC[C@@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592481748 1404701152 /nfs/dbraw/zinc/70/11/52/1404701152.db2.gz VDPPXZOQQDAQOS-SSDOTTSWSA-N -1 1 343.363 2.189 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC1CCC(OC(C)C)CC1 ZINC001592499077 1404703849 /nfs/dbraw/zinc/70/38/49/1404703849.db2.gz IMZRHIHKBRVPMO-UHFFFAOYSA-N -1 1 333.392 2.234 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC1CCC(OC(C)C)CC1 ZINC001592499077 1404703856 /nfs/dbraw/zinc/70/38/56/1404703856.db2.gz IMZRHIHKBRVPMO-UHFFFAOYSA-N -1 1 333.392 2.234 20 0 EEADMM Cc1nsc(Nc2ccc(N3CCCC3)nc2)c1-c1nn[n-]n1 ZINC001592493959 1404704185 /nfs/dbraw/zinc/70/41/85/1404704185.db2.gz DYFKDLKODHPKNW-UHFFFAOYSA-N -1 1 328.405 2.370 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)cc1F ZINC001592915691 1404730057 /nfs/dbraw/zinc/73/00/57/1404730057.db2.gz YSNITKKKOOVXPR-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)cc1F ZINC001592915691 1404730063 /nfs/dbraw/zinc/73/00/63/1404730063.db2.gz YSNITKKKOOVXPR-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001593099757 1404741634 /nfs/dbraw/zinc/74/16/34/1404741634.db2.gz WAPDSVCXQOUCPB-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM O=C(NCCc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001593099757 1404741638 /nfs/dbraw/zinc/74/16/38/1404741638.db2.gz WAPDSVCXQOUCPB-UHFFFAOYSA-N -1 1 335.726 2.225 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC001606019560 1404756197 /nfs/dbraw/zinc/75/61/97/1404756197.db2.gz IOHRXXFVUHYQKY-GWCFXTLKSA-N -1 1 339.378 2.487 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)n1 ZINC001606019560 1404756200 /nfs/dbraw/zinc/75/62/00/1404756200.db2.gz IOHRXXFVUHYQKY-GWCFXTLKSA-N -1 1 339.378 2.487 20 0 EEADMM CN(Cc1cc(C(=O)[O-])co1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001606147367 1404768009 /nfs/dbraw/zinc/76/80/09/1404768009.db2.gz FTBPTUSVERMCOJ-WDNDVIMCSA-N -1 1 336.388 2.275 20 0 EEADMM FC(F)Oc1ccccc1CNCc1nc(-c2nnn[n-]2)cs1 ZINC001606300199 1404782776 /nfs/dbraw/zinc/78/27/76/1404782776.db2.gz MVRMOSNDCIAGNO-UHFFFAOYSA-N -1 1 338.343 2.214 20 0 EEADMM FC(F)Oc1ccccc1CNCc1nc(-c2nn[n-]n2)cs1 ZINC001606300199 1404782784 /nfs/dbraw/zinc/78/27/84/1404782784.db2.gz MVRMOSNDCIAGNO-UHFFFAOYSA-N -1 1 338.343 2.214 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC001606313379 1404788512 /nfs/dbraw/zinc/78/85/12/1404788512.db2.gz MHQJVVKKHCTWMQ-GXFFZTMASA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC001606313379 1404788519 /nfs/dbraw/zinc/78/85/19/1404788519.db2.gz MHQJVVKKHCTWMQ-GXFFZTMASA-N -1 1 330.754 2.444 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@@H](Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001606312803 1404788604 /nfs/dbraw/zinc/78/86/04/1404788604.db2.gz DKIZKSQWVSWHEM-JTQLQIEISA-N -1 1 332.289 2.200 20 0 EEADMM Fc1cc2c(c(F)c1F)[C@@H](Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001606312803 1404788607 /nfs/dbraw/zinc/78/86/07/1404788607.db2.gz DKIZKSQWVSWHEM-JTQLQIEISA-N -1 1 332.289 2.200 20 0 EEADMM COC(=O)[C@@](C)(CNCc1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001606319293 1404792065 /nfs/dbraw/zinc/79/20/65/1404792065.db2.gz ZSEDXPSTXIWZHT-INIZCTEOSA-N -1 1 334.397 2.062 20 0 EEADMM Cc1[nH]ccc1C(=O)NCCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001756914282 1409495494 /nfs/dbraw/zinc/49/54/94/1409495494.db2.gz RKHOFVYWXZXPNI-GFCCVEGCSA-N -1 1 344.415 2.142 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000854634623 1410392038 /nfs/dbraw/zinc/39/20/38/1410392038.db2.gz FPXYBFPCLWYSKA-WDEREUQCSA-N -1 1 338.408 2.446 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)N[N-]C(=O)c2ccc(F)cn2)c1C ZINC000183949377 782237749 /nfs/dbraw/zinc/23/77/49/782237749.db2.gz UHILGAXJGPYCGZ-LBPRGKRZSA-N -1 1 331.347 2.066 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H]1CCC(C)(C)C1=O ZINC000840225487 782435050 /nfs/dbraw/zinc/43/50/50/782435050.db2.gz YQQBRUMZMAVKCR-CYBMUJFWSA-N -1 1 339.413 2.363 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2(F)CCCC2)n[n-]1 ZINC000846642237 790302020 /nfs/dbraw/zinc/30/20/20/790302020.db2.gz HTENAENTFNJWBD-NSHDSACASA-N -1 1 340.399 2.467 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2(F)CCCC2)[n-]1 ZINC000846642237 790302023 /nfs/dbraw/zinc/30/20/23/790302023.db2.gz HTENAENTFNJWBD-NSHDSACASA-N -1 1 340.399 2.467 20 0 EEADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2(F)CCCC2)n1 ZINC000846642237 790302029 /nfs/dbraw/zinc/30/20/29/790302029.db2.gz HTENAENTFNJWBD-NSHDSACASA-N -1 1 340.399 2.467 20 0 EEADMM C[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087163247 759839548 /nfs/dbraw/zinc/83/95/48/759839548.db2.gz PEPUMJUWQLVNAN-OCCSQVGLSA-N -1 1 349.479 2.053 20 0 EEADMM CN(C)[C@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1ccsc1 ZINC000780384745 761469325 /nfs/dbraw/zinc/46/93/25/761469325.db2.gz KXDNIJIEAWMEIS-GFCCVEGCSA-N -1 1 325.434 2.047 20 0 EEADMM CC(C)c1nsc(NC[C@@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104536884 761715469 /nfs/dbraw/zinc/71/54/69/761715469.db2.gz WSWDQNVRQPFGMX-SNVBAGLBSA-N -1 1 335.433 2.335 20 0 EEADMM CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000836857809 765337721 /nfs/dbraw/zinc/33/77/21/765337721.db2.gz NTPLCUJDXYDOBH-SNVBAGLBSA-N -1 1 331.821 2.085 20 0 EEADMM Cc1cc(C)nc(N[C@H](CNC(=O)c2ncccc2[O-])C(C)C)n1 ZINC001105174616 769241098 /nfs/dbraw/zinc/24/10/98/769241098.db2.gz HJUHLCMTVMSTIM-CYBMUJFWSA-N -1 1 329.404 2.061 20 0 EEADMM O=C(c1c([O-])cccc1Cl)N1CCN(Cc2cscn2)CC1 ZINC000920463077 770714941 /nfs/dbraw/zinc/71/49/41/770714941.db2.gz LZSYYXBCBGWYFL-UHFFFAOYSA-N -1 1 337.832 2.460 20 0 EEADMM CCN(C(=O)C1CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942639642 782906959 /nfs/dbraw/zinc/90/69/59/782906959.db2.gz LWNKRLKDUZVVPG-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM O=C([O-])C[N@H+]1CCCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000324769739 773298739 /nfs/dbraw/zinc/29/87/39/773298739.db2.gz CYDXWOHSXNMTMF-UHFFFAOYSA-N -1 1 330.428 2.117 20 0 EEADMM Cc1nc(C)c(C(=O)[N-]NC(=O)c2cccc3cccnc32)s1 ZINC000064501486 773552651 /nfs/dbraw/zinc/55/26/51/773552651.db2.gz PGTWLHQKHHYSNU-UHFFFAOYSA-N -1 1 326.381 2.383 20 0 EEADMM Cc1cc(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)co1 ZINC000980146860 773947724 /nfs/dbraw/zinc/94/77/24/773947724.db2.gz QWIACZIFNNEPAT-UHFFFAOYSA-N -1 1 343.383 2.160 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000942757121 783142889 /nfs/dbraw/zinc/14/28/89/783142889.db2.gz VMHGLDBTMMTGKC-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000938747769 774566834 /nfs/dbraw/zinc/56/68/34/774566834.db2.gz JBOCFCIKRLIWFU-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000921497041 775985962 /nfs/dbraw/zinc/98/59/62/775985962.db2.gz GAMUTYHEZPVJAB-POYBYMJQSA-N -1 1 328.192 2.446 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC000981207123 776788696 /nfs/dbraw/zinc/78/86/96/776788696.db2.gz FEJCXZYDSWLBSL-DZGCQCFKSA-N -1 1 339.395 2.116 20 0 EEADMM Cc1scc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000940130688 778138272 /nfs/dbraw/zinc/13/82/72/778138272.db2.gz SNMSVZPFPSEJPL-GFCCVEGCSA-N -1 1 345.424 2.110 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940130665 778138288 /nfs/dbraw/zinc/13/82/88/778138288.db2.gz RRARFMJRCYAMQT-GFCCVEGCSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000940135873 778154554 /nfs/dbraw/zinc/15/45/54/778154554.db2.gz KEIGPRFJMOVAJP-JXQTWKCFSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1nsc(NCCC2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001063319775 790693137 /nfs/dbraw/zinc/69/31/37/790693137.db2.gz CKTAPLATCOUHMQ-UHFFFAOYSA-N -1 1 347.444 2.302 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N=S(=O)(CC)CC ZINC000925894697 780051034 /nfs/dbraw/zinc/05/10/34/780051034.db2.gz JGABIAVOZJINBR-UHFFFAOYSA-N -1 1 332.447 2.096 20 0 EEADMM CCn1c(CCNC(=O)COc2cc(C)cc(C)c2)n[n-]c1=S ZINC000067077218 780532867 /nfs/dbraw/zinc/53/28/67/780532867.db2.gz KKZNTEQDGGRHMV-UHFFFAOYSA-N -1 1 334.445 2.315 20 0 EEADMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc2c(c1)COC2 ZINC000067079179 780549783 /nfs/dbraw/zinc/54/97/83/780549783.db2.gz DGVRFPBIMUDVHS-UHFFFAOYSA-N -1 1 330.413 2.278 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-] ZINC000936966742 780617976 /nfs/dbraw/zinc/61/79/76/780617976.db2.gz DDSBCXYMEXCRNP-MELADBBJSA-N -1 1 343.427 2.039 20 0 EEADMM Cc1cc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c2ncnn2c1 ZINC001167933778 780983110 /nfs/dbraw/zinc/98/31/10/780983110.db2.gz CFHOJRNTIJPKOX-UHFFFAOYSA-N -1 1 344.311 2.122 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2cccn3ccnc23)Cc2ccccc2C1 ZINC001167934921 780991858 /nfs/dbraw/zinc/99/18/58/780991858.db2.gz LZCYUCRMFVYDRQ-UHFFFAOYSA-N -1 1 329.296 2.419 20 0 EEADMM Cc1cccc(-c2cccc(C(=O)N3CCO[C@H](c4nn[n-]n4)C3)c2)c1 ZINC000906618873 784019468 /nfs/dbraw/zinc/01/94/68/784019468.db2.gz WFXVYBTUIXJWSA-KRWDZBQOSA-N -1 1 349.394 2.389 20 0 EEADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N(C2CCC2)C2CCC2)c1 ZINC000906999070 784310491 /nfs/dbraw/zinc/31/04/91/784310491.db2.gz ROLNINKSAHWYQR-UHFFFAOYSA-N -1 1 325.386 2.186 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000945591233 784415597 /nfs/dbraw/zinc/41/55/97/784415597.db2.gz TVDVPQXEBXYUKR-CHWSQXEVSA-N -1 1 343.383 2.051 20 0 EEADMM Cc1csc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1Cl ZINC000907477020 784646235 /nfs/dbraw/zinc/64/62/35/784646235.db2.gz DSMHWTLBPMDZER-SSDOTTSWSA-N -1 1 329.838 2.153 20 0 EEADMM COc1ccc([C@H](C)CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907477909 784647219 /nfs/dbraw/zinc/64/72/19/784647219.db2.gz VUBQDPSGCLOJJU-BXUZGUMPSA-N -1 1 347.444 2.019 20 0 EEADMM Cc1ccccc1C[C@@H](C)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481997 784688750 /nfs/dbraw/zinc/68/87/50/784688750.db2.gz MJFOAIYEAAXNOV-TZMCWYRMSA-N -1 1 331.445 2.003 20 0 EEADMM C[C@]1(C(=O)[N-]OCC2CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000817330022 784700566 /nfs/dbraw/zinc/70/05/66/784700566.db2.gz HUEPSRCQILTCOG-SFHVURJKSA-N -1 1 332.400 2.493 20 0 EEADMM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)N(C)C ZINC000908417410 785396858 /nfs/dbraw/zinc/39/68/58/785396858.db2.gz BFSXKHVBFQOGRZ-SKDRFNHKSA-N -1 1 332.322 2.288 20 0 EEADMM C[C@H]1CCCN(C(=O)C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708768 785661836 /nfs/dbraw/zinc/66/18/36/785661836.db2.gz DJEKEZMSUKVHJN-VIFPVBQESA-N -1 1 341.205 2.352 20 0 EEADMM CC(=O)N1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908714226 785665651 /nfs/dbraw/zinc/66/56/51/785665651.db2.gz GRBDUSOLMCFHOG-SNVBAGLBSA-N -1 1 341.205 2.352 20 0 EEADMM O=C(c1c[nH]c2cccc(F)c21)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820067732 785768533 /nfs/dbraw/zinc/76/85/33/785768533.db2.gz JKNPTVCVEFHBKH-UHFFFAOYSA-N -1 1 330.319 2.415 20 0 EEADMM CC[C@](C)(NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)C(=O)[O-] ZINC000908926838 785876021 /nfs/dbraw/zinc/87/60/21/785876021.db2.gz VJZBBSYWAXEVAF-GUYCJALGSA-N -1 1 337.420 2.277 20 0 EEADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(O)c(Cl)c1 ZINC000908982695 785913160 /nfs/dbraw/zinc/91/31/60/785913160.db2.gz ITFASVIQJZNZNQ-LLVKDONJSA-N -1 1 327.764 2.142 20 0 EEADMM Cc1ccc([C@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C(=O)[O-])cc1C ZINC000909697610 786177916 /nfs/dbraw/zinc/17/79/16/786177916.db2.gz XLMSOJWXMIHNDD-CJNGLKHVSA-N -1 1 327.384 2.074 20 0 EEADMM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000909715188 786190105 /nfs/dbraw/zinc/19/01/05/786190105.db2.gz QIERUCHDUKQSJI-GOSISDBHSA-N -1 1 349.431 2.411 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2scnc2C(F)(F)F)n1 ZINC000909989441 786386010 /nfs/dbraw/zinc/38/60/10/786386010.db2.gz RKXKSYNRWHXRTA-UHFFFAOYSA-N -1 1 334.279 2.314 20 0 EEADMM Cc1ccc2snc(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)c2c1 ZINC000910170954 786494265 /nfs/dbraw/zinc/49/42/65/786494265.db2.gz PRBBBEVKXKTFOV-GFCCVEGCSA-N -1 1 347.440 2.226 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2cc(C3CC3)ccc2F)C1 ZINC000910254382 786583593 /nfs/dbraw/zinc/58/35/93/786583593.db2.gz SDSREBKIWPLXOJ-AWEZNQCLSA-N -1 1 334.391 2.116 20 0 EEADMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000821111049 786626654 /nfs/dbraw/zinc/62/66/54/786626654.db2.gz DNWFGKFZOAIRCO-CQSZACIVSA-N -1 1 342.417 2.119 20 0 EEADMM Cc1cc(C(F)(F)C(=O)[N-][C@H](C)c2nccc(N)n2)cnc1Cl ZINC000821272659 786648600 /nfs/dbraw/zinc/64/86/00/786648600.db2.gz UTWCHUBXZREWTO-MRVPVSSYSA-N -1 1 341.749 2.385 20 0 EEADMM CCN(Cc1c(O)c(C)ncc1CO)C(=O)c1ccc([O-])cc1F ZINC000910539278 786857698 /nfs/dbraw/zinc/85/76/98/786857698.db2.gz NNYDKBCIERNJID-UHFFFAOYSA-N -1 1 334.347 2.095 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)[O-])c2C1 ZINC000910928062 787129938 /nfs/dbraw/zinc/12/99/38/787129938.db2.gz VEDDXLBNEXLUGP-BONVTDFDSA-N -1 1 345.374 2.099 20 0 EEADMM Cc1cc(CC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000911063610 787226123 /nfs/dbraw/zinc/22/61/23/787226123.db2.gz LCLONODCIPTTIM-ZDUSSCGKSA-N -1 1 341.289 2.222 20 0 EEADMM CN(C)[C@@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000911105121 787245427 /nfs/dbraw/zinc/24/54/27/787245427.db2.gz PRRUFZDDNHCMGQ-KRWDZBQOSA-N -1 1 344.386 2.486 20 0 EEADMM CC/C=C(/C)C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001062150039 787485508 /nfs/dbraw/zinc/48/55/08/787485508.db2.gz SCJWHCIQSFFHPF-SVSAJMPUSA-N -1 1 331.416 2.254 20 0 EEADMM CC(C)CCCC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107558806 787632997 /nfs/dbraw/zinc/63/29/97/787632997.db2.gz LAGRTFADMHJTDQ-RDTXWAMCSA-N -1 1 349.479 2.197 20 0 EEADMM COC(=O)c1cc2ncoc2c([N-][C@@H](C(=O)OC)C(F)(F)F)c1 ZINC001171014982 787701983 /nfs/dbraw/zinc/70/19/83/787701983.db2.gz KDNNXXVSSKOQHV-JTQLQIEISA-N -1 1 332.234 2.130 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)C1(CCF)CC1)c1ncccc1[O-] ZINC001062280172 787780347 /nfs/dbraw/zinc/78/03/47/787780347.db2.gz WGLXJBZQMXWNCM-CYBMUJFWSA-N -1 1 349.406 2.038 20 0 EEADMM CSc1nc(CNC(=O)C(C)(C)Nc2ccccc2)cc(=O)[n-]1 ZINC000912240287 788052254 /nfs/dbraw/zinc/05/22/54/788052254.db2.gz HLVFBAWJHLUAIA-UHFFFAOYSA-N -1 1 332.429 2.411 20 0 EEADMM CC(C)(CO)[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000824162884 788070975 /nfs/dbraw/zinc/07/09/75/788070975.db2.gz SOBHCFJDIIOVEU-CQSZACIVSA-N -1 1 338.415 2.476 20 0 EEADMM CC(C)(CO)[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000824162884 788070985 /nfs/dbraw/zinc/07/09/85/788070985.db2.gz SOBHCFJDIIOVEU-CQSZACIVSA-N -1 1 338.415 2.476 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(CCOCCO)C1CCC1 ZINC000912276880 788098757 /nfs/dbraw/zinc/09/87/57/788098757.db2.gz LVPXJKAJNAWRRY-UHFFFAOYSA-N -1 1 345.395 2.255 20 0 EEADMM COc1ccc(Nc2ccc(C(=O)Nc3nnn[n-]3)cc2)c(OC)c1 ZINC001136946808 788312145 /nfs/dbraw/zinc/31/21/45/788312145.db2.gz NILRSTBXDXHZSA-UHFFFAOYSA-N -1 1 340.343 2.213 20 0 EEADMM COc1ccc(Nc2ccc(C(=O)Nc3nn[n-]n3)cc2)c(OC)c1 ZINC001136946808 788312153 /nfs/dbraw/zinc/31/21/53/788312153.db2.gz NILRSTBXDXHZSA-UHFFFAOYSA-N -1 1 340.343 2.213 20 0 EEADMM CSCC[C@H](NC(=O)c1ccc(C2CC2)nc1C)c1nn[n-]n1 ZINC000912863113 788425491 /nfs/dbraw/zinc/42/54/91/788425491.db2.gz LPKUAEOXFMXMLD-ZDUSSCGKSA-N -1 1 332.433 2.005 20 0 EEADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825241841 788532748 /nfs/dbraw/zinc/53/27/48/788532748.db2.gz BDQYYBSBTQXKDS-ZDUSSCGKSA-N -1 1 340.387 2.363 20 0 EEADMM CCC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825241841 788532760 /nfs/dbraw/zinc/53/27/60/788532760.db2.gz BDQYYBSBTQXKDS-ZDUSSCGKSA-N -1 1 340.387 2.363 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)[C@H]([C@H]2CCCO2)C1 ZINC000923158757 788998966 /nfs/dbraw/zinc/99/89/66/788998966.db2.gz LZJZFBKLAIRGSB-XFBWCDHKSA-N -1 1 343.383 2.047 20 0 EEADMM CC(C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC001005951578 789007918 /nfs/dbraw/zinc/00/79/18/789007918.db2.gz NTJSNEHHIIQTNC-ZDUSSCGKSA-N -1 1 343.427 2.254 20 0 EEADMM CCOC(=O)[C@H](C)[C@H](OCCCC[P@](=O)([O-])O)C(F)(F)F ZINC001225022823 789817537 /nfs/dbraw/zinc/81/75/37/789817537.db2.gz SIQBGPBQYMVKOU-BDAKNGLRSA-N -1 1 336.243 2.091 20 0 EEADMM O=C(NC1CN(C[C@H]2CCCC(F)(F)C2)C1)c1ncccc1[O-] ZINC001030242824 789867062 /nfs/dbraw/zinc/86/70/62/789867062.db2.gz XONQHGPUIMQOBM-NSHDSACASA-N -1 1 325.359 2.027 20 0 EEADMM CC(C)NC(=O)N[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144561686 789938339 /nfs/dbraw/zinc/93/83/39/789938339.db2.gz LPDHWXONMYHLPF-NSHDSACASA-N -1 1 327.375 2.342 20 0 EEADMM CC(C)OCc1nnc2n1CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144651159 790008723 /nfs/dbraw/zinc/00/87/23/790008723.db2.gz JSOPABZJKKSEMB-UHFFFAOYSA-N -1 1 338.358 2.203 20 0 EEADMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000846009807 790021359 /nfs/dbraw/zinc/02/13/59/790021359.db2.gz IWAQTGCVNCHABD-MRVPVSSYSA-N -1 1 339.244 2.482 20 0 EEADMM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144660035 790028908 /nfs/dbraw/zinc/02/89/08/790028908.db2.gz VGEBOQQPVYLDKU-UHFFFAOYSA-N -1 1 338.310 2.393 20 0 EEADMM O=C([O-])[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000846260008 790107896 /nfs/dbraw/zinc/10/78/96/790107896.db2.gz CXPNOIZRBWGIHC-ZWNOBZJWSA-N -1 1 346.196 2.418 20 0 EEADMM Cc1cccc(C(=O)NCC2CC(NC(=O)c3ncccc3[O-])C2)c1 ZINC000991878946 791220680 /nfs/dbraw/zinc/22/06/80/791220680.db2.gz GJYRHYDBBJEHJX-UHFFFAOYSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1nc(C)c(C)c(NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)n1 ZINC001109821920 806045006 /nfs/dbraw/zinc/04/50/06/806045006.db2.gz UMZLCPHGVFBFFM-CQSZACIVSA-N -1 1 341.415 2.123 20 0 EEADMM O=C(CCc1cccc(O)c1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001147001213 791616588 /nfs/dbraw/zinc/61/65/88/791616588.db2.gz WMSHHSCKFGIPPU-UHFFFAOYSA-N -1 1 339.355 2.056 20 0 EEADMM CC(C)c1oncc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001147001013 791616667 /nfs/dbraw/zinc/61/66/67/791616667.db2.gz UVAODUHGENRNJV-UHFFFAOYSA-N -1 1 328.332 2.142 20 0 EEADMM CC[C@@H](C)n1nccc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC001147000976 791617122 /nfs/dbraw/zinc/61/71/22/791617122.db2.gz SYPDYIFFECLWFP-LLVKDONJSA-N -1 1 341.375 2.199 20 0 EEADMM Cc1nsc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063937427 791998394 /nfs/dbraw/zinc/99/83/94/791998394.db2.gz KTHVICRECYSJBF-CMPLNLGQSA-N -1 1 347.444 2.300 20 0 EEADMM Cc1cc(=O)n(-c2ccc(C(=O)NCC3(F)CCOCC3)cc2)[n-]1 ZINC001148335631 792346059 /nfs/dbraw/zinc/34/60/59/792346059.db2.gz COAXGIMNLMRTPI-UHFFFAOYSA-N -1 1 333.363 2.048 20 0 EEADMM CC1(C)CC[C@@H](C(=O)NC2CC(CNC(=O)c3ncccc3[O-])C2)C1 ZINC000992057063 792496502 /nfs/dbraw/zinc/49/65/02/792496502.db2.gz SGOFLIPEJXDFIY-ROKHWSDSSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(N[C@H]1CCCC[C@H]1CNc1cc(F)ncn1)c1ncccc1[O-] ZINC001064171420 792591108 /nfs/dbraw/zinc/59/11/08/792591108.db2.gz LZQAXRJGPZGGCY-RYUDHWBXSA-N -1 1 345.378 2.117 20 0 EEADMM Cc1nc2c(cccc2NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)o1 ZINC001148926904 792814484 /nfs/dbraw/zinc/81/44/84/792814484.db2.gz UUCOWXZQLLGTEJ-UHFFFAOYSA-N -1 1 348.336 2.341 20 0 EEADMM O=C(N[C@@H]1CC12CCOCC2)c1cc([O-])c(Br)c(O)c1 ZINC001148995313 792816756 /nfs/dbraw/zinc/81/67/56/792816756.db2.gz DOBOXMJTRFMPQP-LLVKDONJSA-N -1 1 342.189 2.159 20 0 EEADMM C[C@@H]1CN(c2cccc(F)n2)C[C@H]1CCNC(=O)c1ncccc1[O-] ZINC001092507659 794043307 /nfs/dbraw/zinc/04/33/07/794043307.db2.gz DHVOOUHWVLOHBI-CHWSQXEVSA-N -1 1 344.390 2.214 20 0 EEADMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccc3occc3c2)c1 ZINC001212435508 795728189 /nfs/dbraw/zinc/72/81/89/795728189.db2.gz NOWXLLZIULDHHZ-UHFFFAOYSA-N -1 1 335.337 2.291 20 0 EEADMM Cc1nc(CN2CCC[C@H](NC(=O)c3ncccc3[O-])[C@@H]2C)cs1 ZINC000993213986 796006629 /nfs/dbraw/zinc/00/66/29/796006629.db2.gz KEOXDNUEILSVQH-FZMZJTMJSA-N -1 1 346.456 2.335 20 0 EEADMM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-])c1ccsc1 ZINC001078443090 796477549 /nfs/dbraw/zinc/47/75/49/796477549.db2.gz MWDIBBHBYUXEJL-NWDGAFQWSA-N -1 1 347.440 2.277 20 0 EEADMM O=C(NCCCCCCNc1cnc(F)cn1)c1ncccc1[O-] ZINC001094945082 797077465 /nfs/dbraw/zinc/07/74/65/797077465.db2.gz NTWHDMUMENJAII-UHFFFAOYSA-N -1 1 333.367 2.119 20 0 EEADMM CC(C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])=C1CCC1 ZINC001082022618 797081303 /nfs/dbraw/zinc/08/13/03/797081303.db2.gz JDQAZGGAZYLVRF-HNNXBMFYSA-N -1 1 343.427 2.399 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001082034203 797135102 /nfs/dbraw/zinc/13/51/02/797135102.db2.gz MYMBKRQONLYMSC-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cncc([O-])c1 ZINC000785777455 806582358 /nfs/dbraw/zinc/58/23/58/806582358.db2.gz LUVHCOAEHUJEMI-UHFFFAOYSA-N -1 1 339.273 2.332 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C)o1 ZINC000032767532 797545503 /nfs/dbraw/zinc/54/55/03/797545503.db2.gz VOIQJAARVWTSEL-UHFFFAOYSA-N -1 1 329.761 2.369 20 0 EEADMM COc1cc(Nc2ncccc2N2CCN(C)CC2)ccc1C(=O)[O-] ZINC001174684121 797831855 /nfs/dbraw/zinc/83/18/55/797831855.db2.gz WYAJQHHHQDISKT-UHFFFAOYSA-N -1 1 342.399 2.284 20 0 EEADMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccc3c(c2)OCO3)c1 ZINC001174868778 797913727 /nfs/dbraw/zinc/91/37/27/797913727.db2.gz GSEFECIRELBYJI-UHFFFAOYSA-N -1 1 336.325 2.131 20 0 EEADMM Cc1cc(N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001061074618 797925275 /nfs/dbraw/zinc/92/52/75/797925275.db2.gz HQSUPPAXFXUEAP-KGLIPLIRSA-N -1 1 341.415 2.347 20 0 EEADMM C[C@@H](Nc1ncc(Cl)cn1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001065697099 799378232 /nfs/dbraw/zinc/37/82/32/799378232.db2.gz BQLOJLGQKJODQM-GHMZBOCLSA-N -1 1 347.806 2.193 20 0 EEADMM C/C(=C/C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001065926573 799755890 /nfs/dbraw/zinc/75/58/90/799755890.db2.gz ZOXZRCXSEOXZLP-WIDZWVOGSA-N -1 1 343.427 2.254 20 0 EEADMM CC/C(C)=C/C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079368 799975685 /nfs/dbraw/zinc/97/56/85/799975685.db2.gz XWORJEXLYJDRDK-XTZCOPOCSA-N -1 1 331.416 2.254 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066079292 799975989 /nfs/dbraw/zinc/97/59/89/799975989.db2.gz WQTBSUDLVMGXRP-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CC(=O)N1CCC(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000828170833 800618334 /nfs/dbraw/zinc/61/83/34/800618334.db2.gz USMXWYVEMCLJED-UHFFFAOYSA-N -1 1 342.395 2.239 20 0 EEADMM Cc1cn(CCC(=O)NCCCC[P@](=O)([O-])O)c2ccccc12 ZINC001181212265 800718588 /nfs/dbraw/zinc/71/85/88/800718588.db2.gz USYOVAYOXQLERR-UHFFFAOYSA-N -1 1 338.344 2.414 20 0 EEADMM N=C([N-]C(=O)C(=O)c1ccc(Cl)cc1)c1cnc2ccc(F)cn21 ZINC001182900447 801393321 /nfs/dbraw/zinc/39/33/21/801393321.db2.gz WGYCTRZEXOLDGV-UHFFFAOYSA-N -1 1 344.733 2.451 20 0 EEADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001183138708 801494307 /nfs/dbraw/zinc/49/43/07/801494307.db2.gz IHYXPXOHEYCSFW-JTQLQIEISA-N -1 1 334.319 2.271 20 0 EEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)n[nH]1 ZINC000786895683 806931588 /nfs/dbraw/zinc/93/15/88/806931588.db2.gz AQQWYUCMRGMERA-UHFFFAOYSA-N -1 1 331.829 2.186 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)C1(C2CC2)CC1)c1ccccc1N ZINC001183798934 801755273 /nfs/dbraw/zinc/75/52/73/801755273.db2.gz FKZSABMDTVMVLY-UHFFFAOYSA-N -1 1 333.413 2.433 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)C1(C2CC2)CC1)c1ccccc1N ZINC001183798934 801755280 /nfs/dbraw/zinc/75/52/80/801755280.db2.gz FKZSABMDTVMVLY-UHFFFAOYSA-N -1 1 333.413 2.433 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2O)cc1C(=O)[O-] ZINC001184697450 802133380 /nfs/dbraw/zinc/13/33/80/802133380.db2.gz SJQCKGWVABJFMV-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867000309 803881806 /nfs/dbraw/zinc/88/18/06/803881806.db2.gz GWVMNGAYOWUYGM-SSDOTTSWSA-N -1 1 331.344 2.047 20 0 EEADMM CC(C)(C)OC(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787954972 807313245 /nfs/dbraw/zinc/31/32/45/807313245.db2.gz ILFWJNLKHZOZKG-UHFFFAOYSA-N -1 1 336.319 2.216 20 0 EEADMM COc1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1C(=O)[O-] ZINC000788489966 807548481 /nfs/dbraw/zinc/54/84/81/807548481.db2.gz SJIAMTZXZNXNBW-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM O=S(=O)([N-][C@@H]1CCCCC12OCCO2)c1cc(Cl)ccc1F ZINC000790243082 808535690 /nfs/dbraw/zinc/53/56/90/808535690.db2.gz VLHGDEPOQUMANE-CYBMUJFWSA-N -1 1 349.811 2.443 20 0 EEADMM Cc1cc(C)nc(NCC(C)(C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001113416716 808947463 /nfs/dbraw/zinc/94/74/63/808947463.db2.gz XSBPCQPNMGULBF-UHFFFAOYSA-N -1 1 343.431 2.404 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c1Cl ZINC000790920193 808975976 /nfs/dbraw/zinc/97/59/76/808975976.db2.gz XVTFQMNEKNVJOH-LLVKDONJSA-N -1 1 347.868 2.234 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Cc3cccc(Br)c3)ccnc1-2 ZINC000791286595 809172741 /nfs/dbraw/zinc/17/27/41/809172741.db2.gz PTNUHKVQODGAJS-UHFFFAOYSA-N -1 1 345.200 2.286 20 0 EEADMM Cc1ccc2oc(N(C)[C@@H](C)CNC(=O)c3ncccc3[O-])nc2c1 ZINC001113574871 809273993 /nfs/dbraw/zinc/27/39/93/809273993.db2.gz ILFPPCKQLOFLAK-LBPRGKRZSA-N -1 1 340.383 2.492 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000792531315 809782035 /nfs/dbraw/zinc/78/20/35/809782035.db2.gz AVQHJFNWTQGVNC-LLVKDONJSA-N -1 1 345.403 2.483 20 0 EEADMM Cc1nc(CNCCCC[C@H](C)NC(=O)c2[nH]nc(C)c2[O-])c(C)o1 ZINC001170212938 809815368 /nfs/dbraw/zinc/81/53/68/809815368.db2.gz VUXDHIMJOUCCPE-JTQLQIEISA-N -1 1 349.435 2.107 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(N3CCc4ccccc43)ncn2)[n-]1 ZINC001170227417 809845722 /nfs/dbraw/zinc/84/57/22/809845722.db2.gz LZZUJSHVVCPCBU-UHFFFAOYSA-N -1 1 346.354 2.286 20 0 EEADMM O=C(NC1(CNc2cc(F)ncn2)CCCCC1)c1ncccc1[O-] ZINC001114156922 810492292 /nfs/dbraw/zinc/49/22/92/810492292.db2.gz MYTCGNKGIDJBLU-UHFFFAOYSA-N -1 1 345.378 2.261 20 0 EEADMM COc1cccc(SC)c1[N-]C(=O)c1nc2ncc(C)cn2n1 ZINC001129982471 811058426 /nfs/dbraw/zinc/05/84/26/811058426.db2.gz YTYLTWGLRJJEPS-UHFFFAOYSA-N -1 1 329.385 2.416 20 0 EEADMM C[C@@H](NC(=O)COC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805603290 811363390 /nfs/dbraw/zinc/36/33/90/811363390.db2.gz KSSZLKAZZFHLGS-SSDOTTSWSA-N -1 1 343.170 2.146 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1(C)C ZINC000806491424 811878419 /nfs/dbraw/zinc/87/84/19/811878419.db2.gz YXCJEABLWLKQRQ-ZIAGYGMSSA-N -1 1 331.420 2.009 20 0 EEADMM CCS[C@H]1CC[C@H](N(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000806489534 811879381 /nfs/dbraw/zinc/87/93/81/811879381.db2.gz UZZKYKXGCMUMHC-RYUDHWBXSA-N -1 1 333.461 2.480 20 0 EEADMM CCC(CC)[C@@H](CCNC(=O)N=c1ccnc2n(C)[n-]cc1-2)OC ZINC000806482743 811892779 /nfs/dbraw/zinc/89/27/79/811892779.db2.gz PZVBWDRMQLOQJL-OAHLLOKOSA-N -1 1 333.436 2.305 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)N3CCC[C@@H](C[C@H]4CCOC4)C3)ccnc1-2 ZINC000806483515 811894032 /nfs/dbraw/zinc/89/40/32/811894032.db2.gz HQNOTMSXCFFIFA-UONOGXRCSA-N -1 1 343.431 2.012 20 0 EEADMM Cc1cccc([C@H]2CCCN2C(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC000806487074 811896394 /nfs/dbraw/zinc/89/63/94/811896394.db2.gz PBJADTDZTNKSOP-MRXNPFEDSA-N -1 1 336.399 2.414 20 0 EEADMM CCc1nc(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cs1 ZINC000806489109 811898029 /nfs/dbraw/zinc/89/80/29/811898029.db2.gz XHIDORHCZCWJPE-UHFFFAOYSA-N -1 1 330.417 2.025 20 0 EEADMM Cc1ccc(C2=NO[C@H](CNC(=O)C(=O)c3ccc([O-])cc3)C2)cc1 ZINC000807483896 812255840 /nfs/dbraw/zinc/25/58/40/812255840.db2.gz VIJJRXVTTRIMIX-INIZCTEOSA-N -1 1 338.363 2.193 20 0 EEADMM C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000827586168 939220130 /nfs/dbraw/zinc/22/01/30/939220130.db2.gz IFQVTZSGJPLPBX-AWEZNQCLSA-N -1 1 348.443 2.159 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001573365036 947727250 /nfs/dbraw/zinc/72/72/50/947727250.db2.gz SDKVDVGMRRKJQB-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001573365036 947727260 /nfs/dbraw/zinc/72/72/60/947727260.db2.gz SDKVDVGMRRKJQB-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM Cc1onc(CC(=O)N2CCCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826345029 948017067 /nfs/dbraw/zinc/01/70/67/948017067.db2.gz ZTPIDGJODCOKFN-UHFFFAOYSA-N -1 1 338.371 2.075 20 0 EEADMM Cc1onc(CC(=O)N2CCCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826345029 948017077 /nfs/dbraw/zinc/01/70/77/948017077.db2.gz ZTPIDGJODCOKFN-UHFFFAOYSA-N -1 1 338.371 2.075 20 0 EEADMM Cc1onc(CC(=O)N[C@H](c2ccccc2)C(C)C)c1-c1nnn[n-]1 ZINC000826345446 948022694 /nfs/dbraw/zinc/02/26/94/948022694.db2.gz LCMVXVGXKRGVDP-INIZCTEOSA-N -1 1 340.387 2.219 20 0 EEADMM Cc1onc(CC(=O)N[C@H](c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000826345446 948022702 /nfs/dbraw/zinc/02/27/02/948022702.db2.gz LCMVXVGXKRGVDP-INIZCTEOSA-N -1 1 340.387 2.219 20 0 EEADMM C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575515906 949198030 /nfs/dbraw/zinc/19/80/30/949198030.db2.gz MUTKMUUROSYWSZ-JTQLQIEISA-N -1 1 343.416 2.226 20 0 EEADMM O=C([O-])c1c(F)cc(NC(=O)N2CCN(C3CCC3)CC2)cc1F ZINC000378700435 971573141 /nfs/dbraw/zinc/57/31/41/971573141.db2.gz FNQNSPBXYDLXCW-UHFFFAOYSA-N -1 1 339.342 2.365 20 0 EEADMM CC[C@H]1CN(C)c2ccccc2CN1Cc1c(C(=O)[O-])cnn1C ZINC001589626421 949482041 /nfs/dbraw/zinc/48/20/41/949482041.db2.gz IOBMTIWAPQUCHA-AWEZNQCLSA-N -1 1 328.416 2.349 20 0 EEADMM C[C@H](CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)CC(F)F ZINC001574949717 949504914 /nfs/dbraw/zinc/50/49/14/949504914.db2.gz BEUSHNAJOKXBEJ-ZETCQYMHSA-N -1 1 330.364 2.019 20 0 EEADMM C[C@@H](C(=O)[O-])N(Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1 ZINC001602821645 971629252 /nfs/dbraw/zinc/62/92/52/971629252.db2.gz LIXUKAUYHNQDAI-VIFPVBQESA-N -1 1 333.356 2.120 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573855387 950370885 /nfs/dbraw/zinc/37/08/85/950370885.db2.gz SLUHYQJVPHTIGD-UHFFFAOYSA-N -1 1 337.387 2.098 20 0 EEADMM CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573855387 950370889 /nfs/dbraw/zinc/37/08/89/950370889.db2.gz SLUHYQJVPHTIGD-UHFFFAOYSA-N -1 1 337.387 2.098 20 0 EEADMM C[C@@H](COc1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001575176422 952392306 /nfs/dbraw/zinc/39/23/06/952392306.db2.gz HBQCZFFWYFSUMI-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](COc1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001575176422 952392311 /nfs/dbraw/zinc/39/23/11/952392311.db2.gz HBQCZFFWYFSUMI-JTQLQIEISA-N -1 1 329.385 2.126 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575189814 952458456 /nfs/dbraw/zinc/45/84/56/952458456.db2.gz QULGYBHNILWAIK-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575189814 952458457 /nfs/dbraw/zinc/45/84/57/952458457.db2.gz QULGYBHNILWAIK-JTQLQIEISA-N -1 1 326.335 2.218 20 0 EEADMM CC(C)[C@H](CNC(=O)c1cccc(Br)c1O)C(=O)[O-] ZINC001602984152 972008612 /nfs/dbraw/zinc/00/86/12/972008612.db2.gz STGYBFICLSAYDY-VIFPVBQESA-N -1 1 330.178 2.241 20 0 EEADMM COc1ccc([C@H]2CN(CC3(O)CCC(C(=O)[O-])CC3)CCO2)cc1 ZINC000872164537 956055704 /nfs/dbraw/zinc/05/57/04/956055704.db2.gz SXOHYECTZDNUFQ-URSIVYNOSA-N -1 1 349.427 2.074 20 0 EEADMM Cc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)nc1Cl ZINC000873646059 956093278 /nfs/dbraw/zinc/09/32/78/956093278.db2.gz WIMOIOSWUPPHLZ-QWHCGFSZSA-N -1 1 348.834 2.467 20 0 EEADMM Cn1nc(C(=O)[O-])cc1CN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000874036526 956098429 /nfs/dbraw/zinc/09/84/29/956098429.db2.gz HMCMQYQPEKSZFF-IRXDYDNUSA-N -1 1 329.400 2.206 20 0 EEADMM O=C([O-])CCCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000901485016 956324407 /nfs/dbraw/zinc/32/44/07/956324407.db2.gz BYGPFHXSGBNYEM-UHFFFAOYSA-N -1 1 340.177 2.310 20 0 EEADMM COC[C@@]1(C(=O)[O-])CN(CCCSCc2ccccc2)CCO1 ZINC001593985148 956763869 /nfs/dbraw/zinc/76/38/69/956763869.db2.gz DQLYYNWRXUYELM-QGZVFWFLSA-N -1 1 339.457 2.112 20 0 EEADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000903711881 956911870 /nfs/dbraw/zinc/91/18/70/956911870.db2.gz OAZVTLNYLVCYAN-LBPRGKRZSA-N -1 1 342.823 2.399 20 0 EEADMM CC[C@@H](C)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000391669223 972354903 /nfs/dbraw/zinc/35/49/03/972354903.db2.gz CNHAWSMRRNNPCC-CYBMUJFWSA-N -1 1 335.404 2.098 20 0 EEADMM Cc1cccc([C@H](NC(=O)CN(C)CCc2ccccc2)C(=O)[O-])c1 ZINC001594391370 958727513 /nfs/dbraw/zinc/72/75/13/958727513.db2.gz CRGAAQQLIHBAQE-IBGZPJMESA-N -1 1 340.423 2.411 20 0 EEADMM CS(=O)(=O)c1ccc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC001594173740 959020104 /nfs/dbraw/zinc/02/01/04/959020104.db2.gz BHKQZYJRSCHZMB-UHFFFAOYSA-N -1 1 325.411 2.140 20 0 EEADMM CS(=O)(=O)c1cccc(Cl)c1CNCC1(C(=O)[O-])CCC1 ZINC001604939250 972505569 /nfs/dbraw/zinc/50/55/69/972505569.db2.gz NWFZCNJUEIGEOI-UHFFFAOYSA-N -1 1 331.821 2.088 20 0 EEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cnc(C(C)C)[nH]1 ZINC001334182600 961768537 /nfs/dbraw/zinc/76/85/37/961768537.db2.gz OWGWXXMAIUJSBX-GFCCVEGCSA-N -1 1 325.409 2.123 20 0 EEADMM O=C([O-])c1ccc(-c2nc(CN3CC[C@@H]4CC[C@@H](O)[C@@H]43)co2)cc1 ZINC001571180068 962146697 /nfs/dbraw/zinc/14/66/97/962146697.db2.gz FFMLAMSPUREQAG-IUIKQTSFSA-N -1 1 328.368 2.385 20 0 EEADMM C[C@]12COC[C@H]1CN(Cc1oc(Br)cc1C(=O)[O-])C2 ZINC001571187528 962222571 /nfs/dbraw/zinc/22/25/71/962222571.db2.gz GNMSGRVYDZGMPK-OQPBUACISA-N -1 1 330.178 2.209 20 0 EEADMM CC(C)C[C@H](CNC(=O)Nc1cc(CN(C)C)ccn1)CC(=O)[O-] ZINC001588894489 962225256 /nfs/dbraw/zinc/22/52/56/962225256.db2.gz ZKVRBKPILRLKCI-AWEZNQCLSA-N -1 1 336.436 2.402 20 0 EEADMM CC(=O)N1CCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C(C)(C)C1 ZINC001571190656 962244700 /nfs/dbraw/zinc/24/47/00/962244700.db2.gz AGAJLSSNTQUTSI-UHFFFAOYSA-N -1 1 330.428 2.246 20 0 EEADMM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001603311998 972608644 /nfs/dbraw/zinc/60/86/44/972608644.db2.gz HVWZJLFKAFOJST-UHFFFAOYSA-N -1 1 342.399 2.225 20 0 EEADMM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001603311998 972608652 /nfs/dbraw/zinc/60/86/52/972608652.db2.gz HVWZJLFKAFOJST-UHFFFAOYSA-N -1 1 342.399 2.225 20 0 EEADMM COC(=O)c1coc([C@H](C)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001604402864 973142654 /nfs/dbraw/zinc/14/26/54/973142654.db2.gz CARNZDQPRJRYOI-OGWMHSMQSA-N -1 1 337.372 2.129 20 0 EEADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)n[nH]1 ZINC001603516783 973536336 /nfs/dbraw/zinc/53/63/36/973536336.db2.gz WIDYRWUXOGAKPY-BDAKNGLRSA-N -1 1 332.364 2.294 20 0 EEADMM Cn1nc(Br)cc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001605528740 973715763 /nfs/dbraw/zinc/71/57/63/973715763.db2.gz VJLGJBXOJXSGNU-AWEZNQCLSA-N -1 1 338.205 2.272 20 0 EEADMM CC(C)OC(=O)C1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC001591677926 975459651 /nfs/dbraw/zinc/45/96/51/975459651.db2.gz HCINMBIRIFFOKN-UHFFFAOYSA-N -1 1 335.400 2.314 20 0 EEADMM CC(C)Oc1c(NC(=O)[C@H]2CCCc3n[nH]nc32)cccc1C(=O)[O-] ZINC001591741308 975752163 /nfs/dbraw/zinc/75/21/63/975752163.db2.gz FJMAQCMUNOGJAG-JTQLQIEISA-N -1 1 344.371 2.349 20 0 EEADMM CC(C)c1[nH]c(CNCC(=O)NCc2ccccc2)cc1C(=O)[O-] ZINC001591915481 976358562 /nfs/dbraw/zinc/35/85/62/976358562.db2.gz BLTHFCWCQUILPV-UHFFFAOYSA-N -1 1 329.400 2.242 20 0 EEADMM CC(C)c1cc([C@@H]2CCCN(Cc3cnc(C(=O)[O-])cn3)C2)[nH]n1 ZINC001591931342 976438705 /nfs/dbraw/zinc/43/87/05/976438705.db2.gz OWCWGTAOTGTEGH-GFCCVEGCSA-N -1 1 329.404 2.401 20 0 EEADMM CC(C)c1cc([C@@H]2CCCN(Cc3cnc(C(=O)[O-])cn3)C2)n[nH]1 ZINC001591931342 976438713 /nfs/dbraw/zinc/43/87/13/976438713.db2.gz OWCWGTAOTGTEGH-GFCCVEGCSA-N -1 1 329.404 2.401 20 0 EEADMM CC(C)(C)OC(=O)N1C[C@@H](NCc2cc(C(=O)[O-])cs2)CO1 ZINC000722501260 978144380 /nfs/dbraw/zinc/14/43/80/978144380.db2.gz CDRYLNQMLCRTRG-SNVBAGLBSA-N -1 1 328.390 2.087 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)ccc1C(=O)[O-] ZINC000795353034 978831883 /nfs/dbraw/zinc/83/18/83/978831883.db2.gz VFNQIUXZWZLMLI-UHFFFAOYSA-N -1 1 335.385 2.105 20 0 EEADMM CC[C@@H](C)c1nc([C@H](C)NC(=O)NCC(C)(C)CC(=O)[O-])n[nH]1 ZINC001595016308 979070882 /nfs/dbraw/zinc/07/08/82/979070882.db2.gz UAPXFQGFYGHVNP-ZJUUUORDSA-N -1 1 325.413 2.179 20 0 EEADMM CCCCCc1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])n[nH]1 ZINC000851596020 979510331 /nfs/dbraw/zinc/51/03/31/979510331.db2.gz JUULFUAQDPGMPQ-GFCCVEGCSA-N -1 1 325.434 2.175 20 0 EEADMM CCn1nncc1CNCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000901859021 980580227 /nfs/dbraw/zinc/58/02/27/980580227.db2.gz UTJXYMPGVDZDJZ-UHFFFAOYSA-N -1 1 343.412 2.410 20 0 EEADMM Cn1c(CN2CCSC[C@H](C(=O)[O-])C2)nc2ccc(Cl)cc21 ZINC000901890800 980604113 /nfs/dbraw/zinc/60/41/13/980604113.db2.gz KRHFHWMYVSPPQY-SNVBAGLBSA-N -1 1 339.848 2.476 20 0 EEADMM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C[C@H]1COCCO1 ZINC000902236980 980794489 /nfs/dbraw/zinc/79/44/89/980794489.db2.gz AYHCDMBYOLAJDO-INIZCTEOSA-N -1 1 331.368 2.492 20 0 EEADMM COCc1csc(CNCc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC000902260910 980805170 /nfs/dbraw/zinc/80/51/70/980805170.db2.gz FPRREDKHOUPOHT-UHFFFAOYSA-N -1 1 337.445 2.472 20 0 EEADMM O=C([O-])c1ccccc1-c1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000902271598 980811101 /nfs/dbraw/zinc/81/11/01/980811101.db2.gz SXADVWYYBWOQHI-LBPRGKRZSA-N -1 1 340.379 2.498 20 0 EEADMM C[C@@H](Oc1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1)C(=O)[O-] ZINC000902470088 980901918 /nfs/dbraw/zinc/90/19/18/980901918.db2.gz YNTMRNNYCNDITH-DOMZBBRYSA-N -1 1 334.416 2.028 20 0 EEADMM Cc1ccc(S(=O)(=O)CCCN2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC000903938690 981056953 /nfs/dbraw/zinc/05/69/53/981056953.db2.gz CSGMDTHGVSXMMD-HUUCEWRRSA-N -1 1 339.457 2.344 20 0 EEADMM CC[C@H]1CN(C(=O)c2c[nH]c(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC001595481597 981202145 /nfs/dbraw/zinc/20/21/45/981202145.db2.gz XPTDGNHNRGOFEB-INIZCTEOSA-N -1 1 341.411 2.450 20 0 EEADMM CC[C@H]1CN(CC)CCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595487067 981231259 /nfs/dbraw/zinc/23/12/59/981231259.db2.gz HMFYNGNMIWAGJS-HNNXBMFYSA-N -1 1 333.432 2.048 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)[nH]1 ZINC001574813620 983282184 /nfs/dbraw/zinc/28/21/84/983282184.db2.gz QHJFAVCDTATINJ-UHFFFAOYSA-N -1 1 333.413 2.169 20 0 EEADMM CCCc1c(C(=O)N2CCN(CC(C)C)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596032177 983307720 /nfs/dbraw/zinc/30/77/20/983307720.db2.gz MMTVTETZLKQUGX-UHFFFAOYSA-N -1 1 335.448 2.388 20 0 EEADMM CCN(CC)[C@H](C(=O)NCc1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC001596254025 983660300 /nfs/dbraw/zinc/66/03/00/983660300.db2.gz XJICRNFRWVYRII-KRWDZBQOSA-N -1 1 341.411 2.479 20 0 EEADMM C[C@H](O)CN1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001599903216 984880700 /nfs/dbraw/zinc/88/07/00/984880700.db2.gz DMGNJIFADHCQHN-AWEZNQCLSA-N -1 1 344.411 2.143 20 0 EEADMM CC(=O)Nc1ccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)cn1 ZINC001589191242 985598313 /nfs/dbraw/zinc/59/83/13/985598313.db2.gz COQBFGGDVOZCKO-GFCCVEGCSA-N -1 1 343.383 2.182 20 0 EEADMM Cc1[nH]c(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC001599952073 985625918 /nfs/dbraw/zinc/62/59/18/985625918.db2.gz GRUZYPQQAFZGSM-UHFFFAOYSA-N -1 1 339.355 2.045 20 0 EEADMM Cc1[nH]c(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c(C)c1C(=O)[O-] ZINC001599952073 985625924 /nfs/dbraw/zinc/62/59/24/985625924.db2.gz GRUZYPQQAFZGSM-UHFFFAOYSA-N -1 1 339.355 2.045 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1CCCCC1(F)F ZINC001594515389 985875961 /nfs/dbraw/zinc/87/59/61/985875961.db2.gz HRVQCYXBCDAFMP-CHWSQXEVSA-N -1 1 347.406 2.002 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1C1(C)CC1 ZINC001594520174 985972210 /nfs/dbraw/zinc/97/22/10/985972210.db2.gz MITXITATRMEJHS-AWEZNQCLSA-N -1 1 330.428 2.359 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1ccccc1F ZINC001594522892 986017814 /nfs/dbraw/zinc/01/78/14/986017814.db2.gz XNPGVQFNAKZORD-LLVKDONJSA-N -1 1 325.409 2.003 20 0 EEADMM C[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001589360016 986365800 /nfs/dbraw/zinc/36/58/00/986365800.db2.gz GVMLQESXMNJAAR-NWDGAFQWSA-N -1 1 340.370 2.076 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001589397005 986530949 /nfs/dbraw/zinc/53/09/49/986530949.db2.gz OQBAMGWGTQULOB-GFCCVEGCSA-N -1 1 338.835 2.283 20 0 EEADMM CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)NCC(=O)[O-])oc21 ZINC001597164938 986982040 /nfs/dbraw/zinc/98/20/40/986982040.db2.gz KETUDOCRZHMNJX-MNOVXSKESA-N -1 1 334.372 2.071 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC001589592439 987401774 /nfs/dbraw/zinc/40/17/74/987401774.db2.gz TYEJCSWTKGIPMR-HNNXBMFYSA-N -1 1 342.399 2.193 20 0 EEADMM CCc1ccc(CN2CCN(c3ccc(C(=O)[O-])nn3)CC2)cc1 ZINC001597527364 988174701 /nfs/dbraw/zinc/17/47/01/988174701.db2.gz JCXAGRWNDBAZAN-UHFFFAOYSA-N -1 1 326.400 2.059 20 0 EEADMM COc1cccc2c1CC[C@]2(N)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599690425 991059524 /nfs/dbraw/zinc/05/95/24/991059524.db2.gz YDFRQQMQFNOATP-GOSISDBHSA-N -1 1 326.352 2.132 20 0 EEADMM CC(C)[C@H](NCc1ccc(C(=O)[O-])n1C)c1nnc2ccccn21 ZINC001591030560 991334207 /nfs/dbraw/zinc/33/42/07/991334207.db2.gz KCHSYDVTFKWIFG-HNNXBMFYSA-N -1 1 327.388 2.253 20 0 EEADMM COc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001599714761 991434109 /nfs/dbraw/zinc/43/41/09/991434109.db2.gz ILSVDIXWOVKNNF-KCQAQPDRSA-N -1 1 332.400 2.209 20 0 EEADMM CN(CCOc1ccc(C=CC(=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC001598498831 992401916 /nfs/dbraw/zinc/40/19/16/992401916.db2.gz RCMRQAYHAFAXLM-YFHOEESVSA-N -1 1 328.368 2.396 20 0 EEADMM CN(c1ccccc1)c1ccc(CN2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC001598544974 992935361 /nfs/dbraw/zinc/93/53/61/992935361.db2.gz HNWQYDMIGFMPBK-ROUUACIJSA-N -1 1 326.396 2.474 20 0 EEADMM CN1CC[C@@H](NCc2noc(CCCC(=O)[O-])n2)[C@@H]1c1ccccc1 ZINC001598588439 993417611 /nfs/dbraw/zinc/41/76/11/993417611.db2.gz XZCFKQGWMYTTAQ-KDOFPFPSSA-N -1 1 344.415 2.012 20 0 EEADMM CNC(=O)[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001598639251 994291631 /nfs/dbraw/zinc/29/16/31/994291631.db2.gz SBNZRRPHSZZJOZ-ZDUSSCGKSA-N -1 1 345.424 2.076 20 0 EEADMM C[C@H](NCC(=O)NCc1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593237360 994413436 /nfs/dbraw/zinc/41/34/36/994413436.db2.gz PDNQNWDOGBLGIX-AWEZNQCLSA-N -1 1 342.395 2.117 20 0 EEADMM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1CCCCOc1ccccc1 ZINC001598749962 995639787 /nfs/dbraw/zinc/63/97/87/995639787.db2.gz JFCXEMYCKALRRM-GOEBONIOSA-N -1 1 335.400 2.184 20 0 EEADMM COCCCn1c(=O)[nH]nc1SC[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599229359 997819739 /nfs/dbraw/zinc/81/97/39/997819739.db2.gz GJLJUMLVIKGCRN-GHMZBOCLSA-N -1 1 329.422 2.003 20 0 EEADMM COc1cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)ccc1C(=O)[O-] ZINC001599459968 998254853 /nfs/dbraw/zinc/25/48/53/998254853.db2.gz RCNDAQWZSLEDLX-UHFFFAOYSA-N -1 1 348.380 2.467 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001594364886 999377832 /nfs/dbraw/zinc/37/78/32/999377832.db2.gz BIFRGPNCKSZNAR-ALKREAHSSA-N -1 1 347.459 2.398 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594447407 999641505 /nfs/dbraw/zinc/64/15/05/999641505.db2.gz HFPKQBLCCSXGIL-MEDUHNTESA-N -1 1 327.384 2.133 20 0 EEADMM C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)CCN1CCC(=O)[O-] ZINC001594465053 999681948 /nfs/dbraw/zinc/68/19/48/999681948.db2.gz JZHUVWCLWDHAGT-LLVKDONJSA-N -1 1 344.864 2.342 20 0 EEADMM COc1cnc(CNC(=O)[C@@]2(c3ccccc3)CC2(C)C)[n-]c1=O ZINC001553171571 1125582639 /nfs/dbraw/zinc/58/26/39/1125582639.db2.gz OOKLMVPOIAUMSU-SFHVURJKSA-N -1 1 327.384 2.175 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3cc(Cl)cs3)nc2n1 ZINC001436571023 1088068529 /nfs/dbraw/zinc/06/85/29/1088068529.db2.gz NZYHSYROOYVMCT-UHFFFAOYSA-N -1 1 337.792 2.012 20 0 EEADMM Cc1nc(CNC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])oc1C ZINC001438731398 1091272092 /nfs/dbraw/zinc/27/20/92/1091272092.db2.gz NJMNDRHKKRKCAW-CQSZACIVSA-N -1 1 346.431 2.326 20 0 EEADMM CCCC[C@H](CNCc1nc(C)c(C)o1)NC(=O)c1ncccc1[O-] ZINC001441118413 1094438889 /nfs/dbraw/zinc/43/88/89/1094438889.db2.gz UDNHXGBKTFPZBL-CQSZACIVSA-N -1 1 346.431 2.470 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])Cc1cc(F)ccc1Cl ZINC001442387706 1096708750 /nfs/dbraw/zinc/70/87/50/1096708750.db2.gz ZWFDJMVSPVWOEV-UHFFFAOYSA-N -1 1 337.782 2.442 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])N[C@H](C)c1nc(C(C)C)no1 ZINC001443905403 1098430381 /nfs/dbraw/zinc/43/03/81/1098430381.db2.gz GSECACWIZHHHAS-VXGBXAGGSA-N -1 1 347.419 2.153 20 0 EEADMM Cc1csc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001445173359 1100431584 /nfs/dbraw/zinc/43/15/84/1100431584.db2.gz BBPDHDSZFMYFKP-VXGBXAGGSA-N -1 1 347.440 2.484 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@]2(C)CCCN(C/C=C\Cl)C2)c1[O-] ZINC001446659908 1101183099 /nfs/dbraw/zinc/18/30/99/1101183099.db2.gz CWVGWEZZDIKBPL-ZDTYVGOBSA-N -1 1 326.828 2.008 20 0 EEADMM CC[C@@H](CC(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-])C(C)C ZINC001495510035 1101223243 /nfs/dbraw/zinc/22/32/43/1101223243.db2.gz KHBAAEJURVMBHH-KGLIPLIRSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1nnc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])n1C1CC1 ZINC001447214773 1102219566 /nfs/dbraw/zinc/21/95/66/1102219566.db2.gz IDUOQSCHRPLKTC-UHFFFAOYSA-N -1 1 338.367 2.416 20 0 EEADMM C[C@H](C(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001459485229 1110195649 /nfs/dbraw/zinc/19/56/49/1110195649.db2.gz IFKUWCIGLWAPNS-BFUOFWGJSA-N -1 1 347.459 2.438 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cccc(Cl)c3C)nc2n1 ZINC001461851831 1110348856 /nfs/dbraw/zinc/34/88/56/1110348856.db2.gz PKSZQLQOEHLSQG-UHFFFAOYSA-N -1 1 331.763 2.194 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)OC)o1)[C@@H]1CC1(C)C ZINC001463910301 1110383285 /nfs/dbraw/zinc/38/32/85/1110383285.db2.gz AFSQODGSVVGROA-WDEREUQCSA-N -1 1 329.418 2.478 20 0 EEADMM CCC(CC)(NC(=O)c1cnn(C2CCCC2)c1C)c1nn[n-]n1 ZINC001467793997 1110463866 /nfs/dbraw/zinc/46/38/66/1110463866.db2.gz POIHBCYCGPIWGT-UHFFFAOYSA-N -1 1 331.424 2.265 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnc(OCc2ccccc2)cn1 ZINC001468546661 1110476006 /nfs/dbraw/zinc/47/60/06/1110476006.db2.gz OKPOCCNGPSGZFL-UHFFFAOYSA-N -1 1 325.328 2.045 20 0 EEADMM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2c[n-][nH]c2=O)s1 ZINC001472570781 1110559178 /nfs/dbraw/zinc/55/91/78/1110559178.db2.gz OHLIGHYAVUGJNZ-UHFFFAOYSA-N -1 1 335.385 2.436 20 0 EEADMM COc1ccc(F)c(NC(=O)NCc2cc(=O)[n-]c(SC)n2)c1 ZINC001476264016 1110627134 /nfs/dbraw/zinc/62/71/34/1110627134.db2.gz LBGOBIFNYCSPQT-UHFFFAOYSA-N -1 1 338.364 2.374 20 0 EEADMM CC(C)(F)C(=O)N1CCCC[C@@H]1CCNC(=O)c1ncccc1[O-] ZINC001500580684 1112954012 /nfs/dbraw/zinc/95/40/12/1112954012.db2.gz UPJMLTCOPTXBFV-GFCCVEGCSA-N -1 1 337.395 2.036 20 0 EEADMM CCC(CC)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001501309461 1113290949 /nfs/dbraw/zinc/29/09/49/1113290949.db2.gz LZUSFPCEQAUNBL-KBPBESRZSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CNC(=O)CCC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001502181129 1113629990 /nfs/dbraw/zinc/62/99/90/1113629990.db2.gz IYWVXAFQQPTJNG-LLVKDONJSA-N -1 1 348.447 2.120 20 0 EEADMM CC(C)CCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001510354520 1116025713 /nfs/dbraw/zinc/02/57/13/1116025713.db2.gz SBLYOCNLZOOPHO-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM CCC1(C(=O)N[C@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C)CC1 ZINC001511380858 1118101598 /nfs/dbraw/zinc/10/15/98/1118101598.db2.gz BHUBMEFCGFZADO-OLZOCXBDSA-N -1 1 331.416 2.087 20 0 EEADMM O=c1[nH][n-]cc1-c1nnc(N2CC[C@H](c3ccco3)C2)n1CC1CC1 ZINC001518582688 1119059176 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2.040 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001530016076 1121748411 /nfs/dbraw/zinc/74/84/11/1121748411.db2.gz CXBVUIVWJKSDCF-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cnncc1[O-] ZINC001550788545 1122092509 /nfs/dbraw/zinc/09/25/09/1122092509.db2.gz MPTDCWADFTWBKI-MRXNPFEDSA-N -1 1 325.368 2.006 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C)s1 ZINC001531155072 1122283852 /nfs/dbraw/zinc/28/38/52/1122283852.db2.gz KTIKPESQDDWFQF-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM O=C(NC[C@H](CO)Cc1ccco1)c1ncc2ccccc2c1[O-] ZINC001543434270 1124130079 /nfs/dbraw/zinc/13/00/79/1124130079.db2.gz CDBMHKJZNZTGAQ-GFCCVEGCSA-N -1 1 326.352 2.114 20 0 EEADMM CCOc1ccc(-c2noc(CN3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)n2)cc1 ZINC001550915519 1124173896 /nfs/dbraw/zinc/17/38/96/1124173896.db2.gz FDFPVKPEWZKNBF-IJEWVQPXSA-N -1 1 343.383 2.288 20 0 EEADMM COc1cc(-c2noc(CN3CC[C@H]4[C@@H](C(=O)[O-])[C@H]4C3)n2)ccc1C ZINC001550916799 1124174721 /nfs/dbraw/zinc/17/47/21/1124174721.db2.gz RGWSQESKZHZYQS-DVOMOZLQSA-N -1 1 343.383 2.206 20 0 EEADMM O=C(Cc1c(Cl)cccc1Cl)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548499651 1124308888 /nfs/dbraw/zinc/30/88/88/1124308888.db2.gz NVZABQHGQUXOHA-QMMMGPOBSA-N -1 1 326.187 2.065 20 0 EEADMM CSc1nc(CNC(=O)NC2(C(F)(F)F)CCC2)cc(=O)[n-]1 ZINC001548606946 1124377164 /nfs/dbraw/zinc/37/71/64/1124377164.db2.gz RMIVTQXJRKKOJU-UHFFFAOYSA-N -1 1 336.339 2.188 20 0 EEADMM CCc1nc(CN[C@@H]2CCCC[C@H]2n2cc(C(=O)[O-])nn2)cs1 ZINC001551405098 1124418535 /nfs/dbraw/zinc/41/85/35/1124418535.db2.gz PPIBFRKBIFEUCZ-DGCLKSJQSA-N -1 1 335.433 2.269 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C ZINC001548704910 1124446206 /nfs/dbraw/zinc/44/62/06/1124446206.db2.gz HGGPQSKLQBUMHB-JMCQJSRRSA-N -1 1 335.360 2.170 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 ZINC001548706692 1124447174 /nfs/dbraw/zinc/44/71/74/1124447174.db2.gz ZZLVIAIZSJVOAQ-CHWSQXEVSA-N -1 1 345.424 2.429 20 0 EEADMM 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345.399 2.123 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\Sc1ccccc1 ZINC000833618348 605105404 /nfs/dbraw/zinc/10/54/04/605105404.db2.gz AUQYKEZYCHUDLC-ICDLMJIXSA-N -1 1 334.441 2.300 20 0 EEADMM C[C@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833535667 605114346 /nfs/dbraw/zinc/11/43/46/605114346.db2.gz LLZROMKYGGWEFW-CABCVRRESA-N -1 1 340.464 2.122 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[C@H]1C ZINC000833611685 605135046 /nfs/dbraw/zinc/13/50/46/605135046.db2.gz ZJZVLWBQKVYPDM-QPSCCSFWSA-N -1 1 325.453 2.002 20 0 EEADMM CCN1C[C@H](C)N(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@@H]1C ZINC000833656224 605160388 /nfs/dbraw/zinc/16/03/88/605160388.db2.gz IULMOZBLIQWWBZ-STQMWFEESA-N -1 1 334.420 2.401 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000833508911 605175130 /nfs/dbraw/zinc/17/51/30/605175130.db2.gz OTOASQJYEHEVJM-UXLLHSPISA-N -1 1 347.459 2.400 20 0 EEADMM CN(C(=O)c1ccn[nH]1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833685520 605176326 /nfs/dbraw/zinc/17/63/26/605176326.db2.gz CKHFWFRFBOKASH-NSHDSACASA-N -1 1 338.161 2.070 20 0 EEADMM C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833604409 605208482 /nfs/dbraw/zinc/20/84/82/605208482.db2.gz FJIMYSIJIDHOPN-BXUZGUMPSA-N -1 1 343.383 2.126 20 0 EEADMM CC(C)OC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824309818 607767600 /nfs/dbraw/zinc/76/76/00/607767600.db2.gz WHVFUMWDUHVGKD-UHFFFAOYSA-N -1 1 335.433 2.394 20 0 EEADMM CC(C)OC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824309818 607767601 /nfs/dbraw/zinc/76/76/01/607767601.db2.gz WHVFUMWDUHVGKD-UHFFFAOYSA-N -1 1 335.433 2.394 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2sccc2-c2nn[n-]n2)ccc1F ZINC000822169059 606131412 /nfs/dbraw/zinc/13/14/12/606131412.db2.gz XWESNAGPWHTXNA-UHFFFAOYSA-N -1 1 346.343 2.415 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822362165 606134924 /nfs/dbraw/zinc/13/49/24/606134924.db2.gz MZABSRVARZAPSE-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822362165 606134926 /nfs/dbraw/zinc/13/49/26/606134926.db2.gz MZABSRVARZAPSE-UHFFFAOYSA-N -1 1 343.368 2.032 20 0 EEADMM O=C(OC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nn[n-]n2)s1 ZINC000823400286 606181066 /nfs/dbraw/zinc/18/10/66/606181066.db2.gz ASTFKWWEWKBTAA-JTQLQIEISA-N -1 1 346.343 2.228 20 0 EEADMM O=C(OC[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nnn[n-]2)s1 ZINC000823400286 606181065 /nfs/dbraw/zinc/18/10/65/606181065.db2.gz ASTFKWWEWKBTAA-JTQLQIEISA-N -1 1 346.343 2.228 20 0 EEADMM CCSc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000821460684 606193932 /nfs/dbraw/zinc/19/39/32/606193932.db2.gz AHDUYQBQWOQTEH-UHFFFAOYSA-N -1 1 342.384 2.332 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821616657 606448852 /nfs/dbraw/zinc/44/88/52/606448852.db2.gz AUAWLBIGLTZTRQ-UHFFFAOYSA-N -1 1 340.778 2.428 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821616657 606448853 /nfs/dbraw/zinc/44/88/53/606448853.db2.gz AUAWLBIGLTZTRQ-UHFFFAOYSA-N -1 1 340.778 2.428 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2cccc(-c3nnn[n-]3)n2)C12CCCC2 ZINC000821362062 606468560 /nfs/dbraw/zinc/46/85/60/606468560.db2.gz XYNLCOWBFHAVLS-KBPBESRZSA-N -1 1 328.420 2.436 20 0 EEADMM CCO[C@H]1C[C@H](N(C)c2cccc(-c3nn[n-]n3)n2)C12CCCC2 ZINC000821362062 606468561 /nfs/dbraw/zinc/46/85/61/606468561.db2.gz XYNLCOWBFHAVLS-KBPBESRZSA-N -1 1 328.420 2.436 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)c1ccc(F)cc1 ZINC000823430844 606650548 /nfs/dbraw/zinc/65/05/48/606650548.db2.gz KEFZWGRZBAIMBE-UHFFFAOYSA-N -1 1 349.272 2.236 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)c1ccc(F)cc1 ZINC000823430844 606650549 /nfs/dbraw/zinc/65/05/49/606650549.db2.gz KEFZWGRZBAIMBE-UHFFFAOYSA-N -1 1 349.272 2.236 20 0 EEADMM CCOc1cccc(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000821426978 606721318 /nfs/dbraw/zinc/72/13/18/606721318.db2.gz LKUSZLYZKUCBGH-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCOc1cccc(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000821426978 606721319 /nfs/dbraw/zinc/72/13/19/606721319.db2.gz LKUSZLYZKUCBGH-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823379615 607105626 /nfs/dbraw/zinc/10/56/26/607105626.db2.gz AWSKPCPQPPFMJN-APPZFPTMSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000823379615 607105627 /nfs/dbraw/zinc/10/56/27/607105627.db2.gz AWSKPCPQPPFMJN-APPZFPTMSA-N -1 1 348.338 2.344 20 0 EEADMM Cc1cccc([C@@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000822288849 607127800 /nfs/dbraw/zinc/12/78/00/607127800.db2.gz LDZCDZRTDMRVLY-HNNXBMFYSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1cccc([C@@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000822288849 607127801 /nfs/dbraw/zinc/12/78/01/607127801.db2.gz LDZCDZRTDMRVLY-HNNXBMFYSA-N -1 1 347.382 2.264 20 0 EEADMM CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824844023 607795440 /nfs/dbraw/zinc/79/54/40/607795440.db2.gz MPOPFPRTORBTFR-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824844023 607795441 /nfs/dbraw/zinc/79/54/41/607795441.db2.gz MPOPFPRTORBTFR-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000826356790 607927550 /nfs/dbraw/zinc/92/75/50/607927550.db2.gz FXXVONRNKFBHHM-QJPTWQEYSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000826356790 607927551 /nfs/dbraw/zinc/92/75/51/607927551.db2.gz FXXVONRNKFBHHM-QJPTWQEYSA-N -1 1 329.408 2.145 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000824907288 608012406 /nfs/dbraw/zinc/01/24/06/608012406.db2.gz HVBYJLAMVNGDCO-JHJVBQTASA-N -1 1 332.408 2.067 20 0 EEADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000824907288 608012407 /nfs/dbraw/zinc/01/24/07/608012407.db2.gz HVBYJLAMVNGDCO-JHJVBQTASA-N -1 1 332.408 2.067 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)[C@@H]1OC ZINC000825164555 608167300 /nfs/dbraw/zinc/16/73/00/608167300.db2.gz CWDPBJJJSVHCPT-BIMULSAOSA-N -1 1 349.460 2.498 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)[C@@H]1OC ZINC000825164555 608167301 /nfs/dbraw/zinc/16/73/01/608167301.db2.gz CWDPBJJJSVHCPT-BIMULSAOSA-N -1 1 349.460 2.498 20 0 EEADMM O[C@H]1Cc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000823727175 608175482 /nfs/dbraw/zinc/17/54/82/608175482.db2.gz RNENWZURGSEWPH-WCBMZHEXSA-N -1 1 334.792 2.047 20 0 EEADMM O[C@H]1Cc2ccccc2[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000823727175 608175484 /nfs/dbraw/zinc/17/54/84/608175484.db2.gz RNENWZURGSEWPH-WCBMZHEXSA-N -1 1 334.792 2.047 20 0 EEADMM COc1cccc(C=C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826215231 608433215 /nfs/dbraw/zinc/43/32/15/608433215.db2.gz JQYWCMQISGNPCQ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM COc1cccc(C=C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826215231 608433217 /nfs/dbraw/zinc/43/32/17/608433217.db2.gz JQYWCMQISGNPCQ-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM CC(C)[C@@H](O)C1(CNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824199069 608586402 /nfs/dbraw/zinc/58/64/02/608586402.db2.gz GUQKUVQDWGZHIF-MRVPVSSYSA-N -1 1 328.829 2.186 20 0 EEADMM CC(C)[C@@H](O)C1(CNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824199069 608586403 /nfs/dbraw/zinc/58/64/03/608586403.db2.gz GUQKUVQDWGZHIF-MRVPVSSYSA-N -1 1 328.829 2.186 20 0 EEADMM COc1cccc([C@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826215403 608677590 /nfs/dbraw/zinc/67/75/90/608677590.db2.gz NYSMWXDLCKIOSP-MRXNPFEDSA-N -1 1 341.371 2.042 20 0 EEADMM COc1cccc([C@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826215403 608677593 /nfs/dbraw/zinc/67/75/93/608677593.db2.gz NYSMWXDLCKIOSP-MRXNPFEDSA-N -1 1 341.371 2.042 20 0 EEADMM CC(C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824227754 609287033 /nfs/dbraw/zinc/28/70/33/609287033.db2.gz BIZCEHFXPMMDPN-UHFFFAOYSA-N -1 1 329.339 2.176 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCCC1(C)C ZINC001020489607 674924368 /nfs/dbraw/zinc/92/43/68/674924368.db2.gz XBGJPPTXDZEIAS-MJBXVCDLSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccncc2Cl)C1 ZINC000969545863 675100536 /nfs/dbraw/zinc/10/05/36/675100536.db2.gz FVNJRZULYFVIQO-NSHDSACASA-N -1 1 346.818 2.086 20 0 EEADMM O=C(N[C@@H]1COC[C@@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000891069752 676018548 /nfs/dbraw/zinc/01/85/48/676018548.db2.gz XNWIQJSUDZGFGA-VXGBXAGGSA-N -1 1 326.190 2.310 20 0 EEADMM COc1cccc(COCC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891624473 676733805 /nfs/dbraw/zinc/73/38/05/676733805.db2.gz RGIJMOUENHFJAT-UHFFFAOYSA-N -1 1 343.383 2.225 20 0 EEADMM O=C(CSCc1ccccn1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891625447 676734367 /nfs/dbraw/zinc/73/43/67/676734367.db2.gz YBVULPMWZCYROX-UHFFFAOYSA-N -1 1 330.413 2.328 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C)cc2Cl)n1 ZINC000176720277 678539781 /nfs/dbraw/zinc/53/97/81/678539781.db2.gz LTICPWMLVVQXFV-UHFFFAOYSA-N -1 1 342.808 2.061 20 0 EEADMM Cc1nsc(N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])CC2)n1 ZINC001067596880 679152933 /nfs/dbraw/zinc/15/29/33/679152933.db2.gz MHMJCYMKYJEGFO-LBPRGKRZSA-N -1 1 347.444 2.078 20 0 EEADMM O=C(c1ccnc2cc(Cl)ccc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000935036924 679198314 /nfs/dbraw/zinc/19/83/14/679198314.db2.gz LHYSPXCZLYJHBN-SNVBAGLBSA-N -1 1 342.790 2.421 20 0 EEADMM CCn1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])nn1 ZINC000935270628 679506461 /nfs/dbraw/zinc/50/64/61/679506461.db2.gz FXJQEJRGCKMYQP-UHFFFAOYSA-N -1 1 325.166 2.327 20 0 EEADMM Cc1cncc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001024407432 679891836 /nfs/dbraw/zinc/89/18/36/679891836.db2.gz NOKPAUYVKZGCKH-MRXNPFEDSA-N -1 1 340.427 2.275 20 0 EEADMM O=C(NC[C@@H]1CCN(C(=O)C2CCC=CCC2)C1)c1ncccc1[O-] ZINC000982788912 681207813 /nfs/dbraw/zinc/20/78/13/681207813.db2.gz WMTFBGSSWZLCNL-AWEZNQCLSA-N -1 1 343.427 2.112 20 0 EEADMM Cc1sccc1C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219481 681726738 /nfs/dbraw/zinc/72/67/38/681726738.db2.gz GHVBKIJEEDFOTN-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CCC1(C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC001025168322 682143208 /nfs/dbraw/zinc/14/32/08/682143208.db2.gz YAJXOJYXNCGCEN-AWEZNQCLSA-N -1 1 349.479 2.342 20 0 EEADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC000983460635 682697249 /nfs/dbraw/zinc/69/72/49/682697249.db2.gz KIQIUDAMYQFUJJ-OLZOCXBDSA-N -1 1 343.383 2.160 20 0 EEADMM O=C(C=C1CCC1)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983551629 682844248 /nfs/dbraw/zinc/84/42/48/682844248.db2.gz GUALPDRXQAMXLA-KBPBESRZSA-N -1 1 329.400 2.055 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CCC2)C1 ZINC000909408265 683186071 /nfs/dbraw/zinc/18/60/71/683186071.db2.gz CVNIHJCJLUFCCS-SJLPKXTDSA-N -1 1 330.428 2.441 20 0 EEADMM CC[C@H]1c2ccccc2CCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000909411105 683202251 /nfs/dbraw/zinc/20/22/51/683202251.db2.gz LHTSAPVRWYERCF-WBVHZDCISA-N -1 1 330.428 2.319 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(Cl)Cl)nc1Cl ZINC000832364675 683318916 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Cc1cnc([C@H](C)N2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)o1 ZINC000974482492 684974722 /nfs/dbraw/zinc/97/47/22/684974722.db2.gz FBNCZAKQVLWVEE-JSGCOSHPSA-N -1 1 344.415 2.285 20 0 EEADMM Cc1ccsc1C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936429775 685128595 /nfs/dbraw/zinc/12/85/95/685128595.db2.gz YIIDEFZWFMWSKS-LBPRGKRZSA-N -1 1 345.424 2.144 20 0 EEADMM CC(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515890 686283019 /nfs/dbraw/zinc/28/30/19/686283019.db2.gz ACNKKRXKWPHNGW-CABCVRRESA-N -1 1 347.459 2.438 20 0 EEADMM CC(C)=C(F)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516783 686287227 /nfs/dbraw/zinc/28/72/27/686287227.db2.gz USVVTZXVKHFZOM-LBPRGKRZSA-N -1 1 335.379 2.019 20 0 EEADMM C[C@H](C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000975262749 686342269 /nfs/dbraw/zinc/34/22/69/686342269.db2.gz XQUALFWBQRYSKJ-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CCOc1cc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000923748771 686675258 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C[C@@H]1CCN(C(=O)C2CCCC2)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001018474118 1224786455 /nfs/dbraw/zinc/78/64/55/1224786455.db2.gz KRLHXSGBFLFTLX-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1C[C@H]2C[C@@]2(C(=O)N2CCCC23CC3)C1 ZINC001275399308 1205339106 /nfs/dbraw/zinc/33/91/06/1205339106.db2.gz PMXIKDJEYRKLCY-CWTRNNRKSA-N -1 1 344.386 2.148 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccoc1C1CC1 ZINC001411529431 1205402992 /nfs/dbraw/zinc/40/29/92/1205402992.db2.gz GDCHENYMTJNZFX-NSHDSACASA-N -1 1 343.383 2.148 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)c1ccc(CF)cc1 ZINC001411535878 1205406375 /nfs/dbraw/zinc/40/63/75/1205406375.db2.gz SAEAANSLQDHZCB-LBPRGKRZSA-N -1 1 345.374 2.147 20 0 EEADMM CSc1ncc(C(=O)NCCN2CCCc3ccccc32)c(=O)[n-]1 ZINC001411729734 1205502894 /nfs/dbraw/zinc/50/28/94/1205502894.db2.gz VCADACAAJRFDCR-UHFFFAOYSA-N -1 1 344.440 2.087 20 0 EEADMM CN(C)C(=O)[C@H]1CC12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC001275935038 1205593733 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20 0 EEADMM O=C(NC[C@@H]1CCCN1C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000955979292 1213447351 /nfs/dbraw/zinc/44/73/51/1213447351.db2.gz DOWXEYFONHROMN-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1csc(C(=O)NC[C@@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000955979607 1213448097 /nfs/dbraw/zinc/44/80/97/1213448097.db2.gz QMCGUSYSEIGCPB-LBPRGKRZSA-N -1 1 345.424 2.192 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000956158603 1213571180 /nfs/dbraw/zinc/57/11/80/1213571180.db2.gz LCAFUVWGXXOENP-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC000956347976 1213736121 /nfs/dbraw/zinc/73/61/21/1213736121.db2.gz SYNZLUFVIONKKQ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)NC2(C)CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000956367033 1213751942 /nfs/dbraw/zinc/75/19/42/1213751942.db2.gz APHYKERYPGMWRN-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(F)c2)[n-]1 ZINC000796343832 1213853094 /nfs/dbraw/zinc/85/30/94/1213853094.db2.gz FXIRFJMMWKQNNQ-VIFPVBQESA-N -1 1 334.303 2.124 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)c(F)c2)[n-]1 ZINC000796364950 1213884220 /nfs/dbraw/zinc/88/42/20/1213884220.db2.gz HAUDLBHHBBVMLG-UHFFFAOYSA-N -1 1 335.287 2.084 20 0 EEADMM COc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000096744395 1213884683 /nfs/dbraw/zinc/88/46/83/1213884683.db2.gz FVNDJURZPZJKPB-UHFFFAOYSA-N -1 1 348.424 2.333 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNC(=O)C1CCCCC1 ZINC000959450166 1214676383 /nfs/dbraw/zinc/67/63/83/1214676383.db2.gz YBOGLFTWOQXHET-HIFRSBDPSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC000962613003 1215970045 /nfs/dbraw/zinc/97/00/45/1215970045.db2.gz FZMDXAANLQQHIM-HUUCEWRRSA-N -1 1 343.427 2.183 20 0 EEADMM CCC(CC)(NC(=O)C[C@@H]1OCCc2ccccc21)c1nn[n-]n1 ZINC001412930469 1216130947 /nfs/dbraw/zinc/13/09/47/1216130947.db2.gz AKEBHOALPZUPIZ-AWEZNQCLSA-N -1 1 329.404 2.035 20 0 EEADMM CC1(C)CCC[C@H](C(=O)N2CCCC[C@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC000960227374 1216437801 /nfs/dbraw/zinc/43/78/01/1216437801.db2.gz JLQJAMRORWEKNI-KBPBESRZSA-N -1 1 349.479 2.197 20 0 EEADMM C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1[O-])C1CC1 ZINC000962947805 1217302050 /nfs/dbraw/zinc/30/20/50/1217302050.db2.gz UCZAHOLXMSZCCT-NWANDNLSSA-N -1 1 343.427 2.039 20 0 EEADMM CC1(C)CC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000964478929 1218400003 /nfs/dbraw/zinc/40/00/03/1218400003.db2.gz SIXLIRWPRWXMLN-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC000964480936 1218401858 /nfs/dbraw/zinc/40/18/58/1218401858.db2.gz WQEGAFMNCSHVCY-CYBMUJFWSA-N -1 1 343.383 2.113 20 0 EEADMM CC1(C(=O)N2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)CC=CC1 ZINC000964851062 1218674137 /nfs/dbraw/zinc/67/41/37/1218674137.db2.gz IHUCMPNAFOEKEC-CQSZACIVSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CCCC1 ZINC000965056907 1218861235 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CCc1cccc(NC(=O)CN[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)c1 ZINC001610066150 1352153726 /nfs/dbraw/zinc/15/37/26/1352153726.db2.gz DPBUQBCJZNYPNN-HFTRVMKXSA-N -1 1 348.443 2.436 20 0 EEADMM CCc1ccccc1NC(=O)CN[C@H](C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001610069905 1352155026 /nfs/dbraw/zinc/15/50/26/1352155026.db2.gz GVDOMDIYJNGSKM-MPGHIAIKSA-N -1 1 348.443 2.436 20 0 EEADMM CN(Cc1cccc(C(=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001610123059 1352167404 /nfs/dbraw/zinc/16/74/04/1352167404.db2.gz VSVJGYVDUPMAMA-ZDUSSCGKSA-N -1 1 335.404 2.221 20 0 EEADMM CO[C@@H]1CCC[C@H]([C@H](NCC(=O)N(C)[C@H](C)CC(C)C)C(=O)[O-])C1 ZINC001610234473 1352191792 /nfs/dbraw/zinc/19/17/92/1352191792.db2.gz KDDVXRKEAHUFOQ-DLTWYDFYSA-N -1 1 342.480 2.127 20 0 EEADMM COCc1nc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)cs1 ZINC001610272598 1352197615 /nfs/dbraw/zinc/19/76/15/1352197615.db2.gz RAMYHAPRPSBQNV-LSDHHAIUSA-N -1 1 348.424 2.295 20 0 EEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cncc(F)c1 ZINC001610465662 1352227172 /nfs/dbraw/zinc/22/71/72/1352227172.db2.gz QPORZPQQVOYFBU-UHFFFAOYSA-N -1 1 328.296 2.167 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@H]1O ZINC001610487505 1352231167 /nfs/dbraw/zinc/23/11/67/1352231167.db2.gz VFCZHVXNSORLLQ-DUVNUKRYSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC001610488706 1352231637 /nfs/dbraw/zinc/23/16/37/1352231637.db2.gz RSNYRISQWHDART-HOTGVXAUSA-N -1 1 332.400 2.275 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@H](N)c2ccccc2C)C(=O)[O-])cc1 ZINC001610491762 1352232323 /nfs/dbraw/zinc/23/23/23/1352232323.db2.gz OGXKCCXXMFPMSS-DLBZAZTESA-N -1 1 326.396 2.288 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C1CC1)C1CCCC1 ZINC000849310012 1339151825 /nfs/dbraw/zinc/15/18/25/1339151825.db2.gz QDYMYGFLPVRIGL-AWEZNQCLSA-N -1 1 327.450 2.244 20 0 EEADMM CCC1CCN(S(=O)(=O)[N-]c2ccn(Cc3ccccn3)n2)CC1 ZINC000849307299 1339152019 /nfs/dbraw/zinc/15/20/19/1339152019.db2.gz OCIVSORXKZXDPT-UHFFFAOYSA-N -1 1 349.460 2.105 20 0 EEADMM Cn1cc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1C(=O)[O-] ZINC001610604981 1352252993 /nfs/dbraw/zinc/25/29/93/1352252993.db2.gz UXEOEEQYCDMZJO-GXTWGEPZSA-N -1 1 336.413 2.148 20 0 EEADMM O=C([O-])C[C@@]1(NCc2cccc(O)c2Br)CCCOC1 ZINC001610758573 1352269864 /nfs/dbraw/zinc/26/98/64/1352269864.db2.gz XIJYTADLZVUKBM-AWEZNQCLSA-N -1 1 344.205 2.268 20 0 EEADMM O=C([O-])c1cccc(Br)c1CN1CCN(C2CC2)CC1 ZINC001610843814 1352283937 /nfs/dbraw/zinc/28/39/37/1352283937.db2.gz KWASTECPRBZADF-UHFFFAOYSA-N -1 1 339.233 2.427 20 0 EEADMM O=Cc1[nH]nc2cc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])ccc12 ZINC001610887340 1352291261 /nfs/dbraw/zinc/29/12/61/1352291261.db2.gz VYBDSKRKYGGLAC-MRXNPFEDSA-N -1 1 338.319 2.228 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](C)C(C)(F)F ZINC001429802039 1340022570 /nfs/dbraw/zinc/02/25/70/1340022570.db2.gz ABDXJMKGQVRSJO-NSHDSACASA-N -1 1 343.374 2.047 20 0 EEADMM COc1cc(Cl)cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC001470630200 1342094898 /nfs/dbraw/zinc/09/48/98/1342094898.db2.gz VJUGQRUCYDSXNF-AWEZNQCLSA-N -1 1 343.774 2.381 20 0 EEADMM Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)o1 ZINC001563131053 1342541391 /nfs/dbraw/zinc/54/13/91/1342541391.db2.gz ZDJZTEIIFKKWKF-AWEZNQCLSA-N -1 1 342.355 2.334 20 0 EEADMM CCCC1(C(=O)N[C@H](C)CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001577386919 1344137848 /nfs/dbraw/zinc/13/78/48/1344137848.db2.gz DRSAXRACGGFBDY-SECBINFHSA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@@H]1CCCN1S(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001577393327 1344139444 /nfs/dbraw/zinc/13/94/44/1344139444.db2.gz SZLLMARKBVIUHN-LLVKDONJSA-N -1 1 341.462 2.023 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)[C@H](N)c1ccccc1C(F)(F)F ZINC001577905878 1344212220 /nfs/dbraw/zinc/21/22/20/1344212220.db2.gz ZVHBMDXJTDANRK-LLVKDONJSA-N -1 1 348.321 2.095 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001578427538 1344278024 /nfs/dbraw/zinc/27/80/24/1344278024.db2.gz INDXMDFFWQOISE-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001578427538 1344278028 /nfs/dbraw/zinc/27/80/28/1344278028.db2.gz INDXMDFFWQOISE-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM CN(C)c1cc(F)cc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001578997111 1344327813 /nfs/dbraw/zinc/32/78/13/1344327813.db2.gz SBNARHQKZVENRF-UHFFFAOYSA-N -1 1 332.364 2.386 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001579478821 1344386681 /nfs/dbraw/zinc/38/66/81/1344386681.db2.gz WHJWHHCFHROOFV-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001579596807 1344398513 /nfs/dbraw/zinc/39/85/13/1344398513.db2.gz XWVASDWEZBWRFC-SJKOYZFVSA-N -1 1 343.435 2.174 20 0 EEADMM CO[C@]1(C)C[C@@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001579596807 1344398517 /nfs/dbraw/zinc/39/85/17/1344398517.db2.gz XWVASDWEZBWRFC-SJKOYZFVSA-N -1 1 343.435 2.174 20 0 EEADMM COc1cc(Nc2ncncc2-c2nn[n-]n2)ccc1Br ZINC001579936035 1344435986 /nfs/dbraw/zinc/43/59/86/1344435986.db2.gz IVRXPBYDOWHQOL-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580079268 1344467427 /nfs/dbraw/zinc/46/74/27/1344467427.db2.gz FEYVMBFLIDFDBU-YOEHRIQHSA-N -1 1 337.387 2.116 20 0 EEADMM COc1ccccc1[C@]1(C)C[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580079268 1344467431 /nfs/dbraw/zinc/46/74/31/1344467431.db2.gz FEYVMBFLIDFDBU-YOEHRIQHSA-N -1 1 337.387 2.116 20 0 EEADMM CSCCCCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001580226368 1344493903 /nfs/dbraw/zinc/49/39/03/1344493903.db2.gz VMIQHKNQWMEFOZ-UHFFFAOYSA-N -1 1 340.840 2.178 20 0 EEADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC001580435767 1344520328 /nfs/dbraw/zinc/52/03/28/1344520328.db2.gz ZJIVLVWQTVFAGB-VIFPVBQESA-N -1 1 344.400 2.194 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnc1C(F)(F)F ZINC001580985029 1344579863 /nfs/dbraw/zinc/57/98/63/1344579863.db2.gz JZDLHBXEAMJKNF-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnc1C(F)(F)F ZINC001580985029 1344579866 /nfs/dbraw/zinc/57/98/66/1344579866.db2.gz JZDLHBXEAMJKNF-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1nsc(NC2(CNC(=O)C(C)(C)C)CCC2)c1-c1nn[n-]n1 ZINC001581695660 1344654682 /nfs/dbraw/zinc/65/46/82/1344654682.db2.gz PJWIDWVCSRBCLS-UHFFFAOYSA-N -1 1 349.464 2.129 20 0 EEADMM Cc1occc1CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581733616 1344659337 /nfs/dbraw/zinc/65/93/37/1344659337.db2.gz HOGYEUDVKJUBHM-UHFFFAOYSA-N -1 1 332.389 2.171 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001582300486 1344726834 /nfs/dbraw/zinc/72/68/34/1344726834.db2.gz BCZQFRXXLLRANJ-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCCc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001582300486 1344726836 /nfs/dbraw/zinc/72/68/36/1344726836.db2.gz BCZQFRXXLLRANJ-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1coc(C2CCC2)n1 ZINC001582551648 1344761761 /nfs/dbraw/zinc/76/17/61/1344761761.db2.gz VNNHXOLQFMJOKH-UHFFFAOYSA-N -1 1 330.373 2.114 20 0 EEADMM CC(=O)N1CCCN(Cc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001588819505 1348938320 /nfs/dbraw/zinc/93/83/20/1348938320.db2.gz YJAUFIWURQFKSZ-UHFFFAOYSA-N -1 1 349.398 2.025 20 0 EEADMM CC(=O)N1CCCN(Cc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001588819505 1348938323 /nfs/dbraw/zinc/93/83/23/1348938323.db2.gz YJAUFIWURQFKSZ-UHFFFAOYSA-N -1 1 349.398 2.025 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001589052705 1348955652 /nfs/dbraw/zinc/95/56/52/1348955652.db2.gz MFIQRPOGACPTGX-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001589052705 1348955653 /nfs/dbraw/zinc/95/56/53/1348955653.db2.gz MFIQRPOGACPTGX-UHFFFAOYSA-N -1 1 346.391 2.056 20 0 EEADMM CC(C)(C)C(=O)CCCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589075685 1348956935 /nfs/dbraw/zinc/95/69/35/1348956935.db2.gz YSYDOEXNEKBVBI-UHFFFAOYSA-N -1 1 335.433 2.330 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001589104214 1348959620 /nfs/dbraw/zinc/95/96/20/1348959620.db2.gz BFFUBNHBURTFHA-SFYZADRCSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001589104214 1348959622 /nfs/dbraw/zinc/95/96/22/1348959622.db2.gz BFFUBNHBURTFHA-SFYZADRCSA-N -1 1 342.856 2.210 20 0 EEADMM CC(C)(C)OCCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001589197916 1348968624 /nfs/dbraw/zinc/96/86/24/1348968624.db2.gz VDEOKLCQXUMIHH-UHFFFAOYSA-N -1 1 327.392 2.330 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001589193552 1348968787 /nfs/dbraw/zinc/96/87/87/1348968787.db2.gz ZXTBQCKDFPKVTL-UHFFFAOYSA-N -1 1 347.394 2.426 20 0 EEADMM CC(C)(C)OC1CCN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001589193552 1348968791 /nfs/dbraw/zinc/96/87/91/1348968791.db2.gz ZXTBQCKDFPKVTL-UHFFFAOYSA-N -1 1 347.394 2.426 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2cccnc2-c2nnn[n-]2)nc1 ZINC001589221857 1348971850 /nfs/dbraw/zinc/97/18/50/1348971850.db2.gz MUFIEBQTNMDMCP-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(C(=O)OCc2cccnc2-c2nn[n-]n2)nc1 ZINC001589221857 1348971852 /nfs/dbraw/zinc/97/18/52/1348971852.db2.gz MUFIEBQTNMDMCP-UHFFFAOYSA-N -1 1 338.371 2.311 20 0 EEADMM CC(C)(C)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)nn1 ZINC001589226824 1348972730 /nfs/dbraw/zinc/97/27/30/1348972730.db2.gz FNQBQGQHYJKJGG-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)nn1 ZINC001589226824 1348972734 /nfs/dbraw/zinc/97/27/34/1348972734.db2.gz FNQBQGQHYJKJGG-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(F)cc1 ZINC001589283156 1348978876 /nfs/dbraw/zinc/97/88/76/1348978876.db2.gz JZULGVVCMJTDFD-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(F)cc1 ZINC001589283156 1348978882 /nfs/dbraw/zinc/97/88/82/1348978882.db2.gz JZULGVVCMJTDFD-UHFFFAOYSA-N -1 1 329.335 2.306 20 0 EEADMM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589306976 1348980571 /nfs/dbraw/zinc/98/05/71/1348980571.db2.gz AAZHQLZQYBPSLU-UHFFFAOYSA-N -1 1 345.794 2.451 20 0 EEADMM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589306976 1348980573 /nfs/dbraw/zinc/98/05/73/1348980573.db2.gz AAZHQLZQYBPSLU-UHFFFAOYSA-N -1 1 345.794 2.451 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589764999 1349032160 /nfs/dbraw/zinc/03/21/60/1349032160.db2.gz CBXAOKSJPIOIFD-HDJSIYSDSA-N -1 1 328.420 2.340 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589764999 1349032165 /nfs/dbraw/zinc/03/21/65/1349032165.db2.gz CBXAOKSJPIOIFD-HDJSIYSDSA-N -1 1 328.420 2.340 20 0 EEADMM C[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccncc1 ZINC001589793461 1349044688 /nfs/dbraw/zinc/04/46/88/1349044688.db2.gz SPJHRILPBFFZAZ-JTQLQIEISA-N -1 1 328.401 2.133 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001589796531 1349045895 /nfs/dbraw/zinc/04/58/95/1349045895.db2.gz WIZJPAFAZCRBEA-JTQLQIEISA-N -1 1 341.396 2.320 20 0 EEADMM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001589796531 1349045901 /nfs/dbraw/zinc/04/59/01/1349045901.db2.gz WIZJPAFAZCRBEA-JTQLQIEISA-N -1 1 341.396 2.320 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H](C)c1ccccc1 ZINC001589926283 1349065224 /nfs/dbraw/zinc/06/52/24/1349065224.db2.gz KHFJQAVJNKPZOY-QWHCGFSZSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H](C)c1ccccc1 ZINC001589926283 1349065231 /nfs/dbraw/zinc/06/52/31/1349065231.db2.gz KHFJQAVJNKPZOY-QWHCGFSZSA-N -1 1 336.399 2.113 20 0 EEADMM C[C@H](OCCCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001590017008 1349109239 /nfs/dbraw/zinc/10/92/39/1349109239.db2.gz IFZHKCPRPIBGQK-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](OCCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001590017008 1349109248 /nfs/dbraw/zinc/10/92/48/1349109248.db2.gz IFZHKCPRPIBGQK-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590073976 1349138233 /nfs/dbraw/zinc/13/82/33/1349138233.db2.gz OJSLIIPNILJIGZ-SFHVURJKSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590073976 1349138241 /nfs/dbraw/zinc/13/82/41/1349138241.db2.gz OJSLIIPNILJIGZ-SFHVURJKSA-N -1 1 335.367 2.209 20 0 EEADMM CC1(C)C[C@@H](CNC(=O)c2cccc(F)c2-c2nnn[n-]2)C(C)(C)O1 ZINC001590082052 1349143803 /nfs/dbraw/zinc/14/38/03/1349143803.db2.gz UFLXVRNNEDQHBN-JTQLQIEISA-N -1 1 347.394 2.329 20 0 EEADMM CC1(C)C[C@@H](CNC(=O)c2cccc(F)c2-c2nn[n-]n2)C(C)(C)O1 ZINC001590082052 1349143812 /nfs/dbraw/zinc/14/38/12/1349143812.db2.gz UFLXVRNNEDQHBN-JTQLQIEISA-N -1 1 347.394 2.329 20 0 EEADMM CC1(C)CN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCCO1 ZINC001590106444 1349157525 /nfs/dbraw/zinc/15/75/25/1349157525.db2.gz RLZFJHMMANUMEO-UHFFFAOYSA-N -1 1 342.325 2.286 20 0 EEADMM CC1(C)CN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCCO1 ZINC001590106444 1349157528 /nfs/dbraw/zinc/15/75/28/1349157528.db2.gz RLZFJHMMANUMEO-UHFFFAOYSA-N -1 1 342.325 2.286 20 0 EEADMM Cc1ccc(N2CCC(C)=C(Br)C2)nc1-c1nnn[n-]1 ZINC001590154823 1349177164 /nfs/dbraw/zinc/17/71/64/1349177164.db2.gz ATDKBESFEOPBJU-UHFFFAOYSA-N -1 1 335.209 2.449 20 0 EEADMM Cc1ccc(N2CCC(C)=C(Br)C2)nc1-c1nn[n-]n1 ZINC001590154823 1349177168 /nfs/dbraw/zinc/17/71/68/1349177168.db2.gz ATDKBESFEOPBJU-UHFFFAOYSA-N -1 1 335.209 2.449 20 0 EEADMM CC1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001590267257 1349241516 /nfs/dbraw/zinc/24/15/16/1349241516.db2.gz MYACOHLFHYEZDG-UHFFFAOYSA-N -1 1 327.801 2.240 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590343063 1349276991 /nfs/dbraw/zinc/27/69/91/1349276991.db2.gz LGFCYBOVKOSROR-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM C[C@@H]1c2sccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590343063 1349276993 /nfs/dbraw/zinc/27/69/93/1349276993.db2.gz LGFCYBOVKOSROR-SECBINFHSA-N -1 1 326.385 2.083 20 0 EEADMM CC[C@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC001590368651 1349287823 /nfs/dbraw/zinc/28/78/23/1349287823.db2.gz HKBKUKGEJOTVCR-LBPRGKRZSA-N -1 1 341.375 2.039 20 0 EEADMM CC[C@H](C[C@@H](C)O)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(C)cc21 ZINC001590421194 1349316898 /nfs/dbraw/zinc/31/68/98/1349316898.db2.gz HHUBRVBFBWAABX-VXGBXAGGSA-N -1 1 326.404 2.107 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590438994 1349325460 /nfs/dbraw/zinc/32/54/60/1349325460.db2.gz KJIJHNNJFIMMED-ZDUSSCGKSA-N -1 1 327.344 2.423 20 0 EEADMM CC[C@@H](CCc1cccnc1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590438994 1349325467 /nfs/dbraw/zinc/32/54/67/1349325467.db2.gz KJIJHNNJFIMMED-ZDUSSCGKSA-N -1 1 327.344 2.423 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001590451583 1349331558 /nfs/dbraw/zinc/33/15/58/1349331558.db2.gz IXIRMMOFWOIBTA-LBPRGKRZSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@@H](Cc1ccccc1C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001590451583 1349331563 /nfs/dbraw/zinc/33/15/63/1349331563.db2.gz IXIRMMOFWOIBTA-LBPRGKRZSA-N -1 1 339.403 2.116 20 0 EEADMM CC[C@@H]1CCC[C@@H](Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590507304 1349361115 /nfs/dbraw/zinc/36/11/15/1349361115.db2.gz BQFKZMKYCRVASK-GHMZBOCLSA-N -1 1 330.392 2.429 20 0 EEADMM CC[C@@H]1CCC[C@@H](Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590507304 1349361120 /nfs/dbraw/zinc/36/11/20/1349361120.db2.gz BQFKZMKYCRVASK-GHMZBOCLSA-N -1 1 330.392 2.429 20 0 EEADMM CCC[C@@H]1C[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590653580 1349383093 /nfs/dbraw/zinc/38/30/93/1349383093.db2.gz JHDQFCABYPBMIB-PHDIDXHHSA-N -1 1 327.801 2.287 20 0 EEADMM CCCOc1ncccc1CNc1cc(C)cc(-c2nnn[n-]2)n1 ZINC001590648186 1349383981 /nfs/dbraw/zinc/38/39/81/1349383981.db2.gz ZZODHERKNJRKMM-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM CCCOc1ncccc1CNc1cc(C)cc(-c2nn[n-]n2)n1 ZINC001590648186 1349383986 /nfs/dbraw/zinc/38/39/86/1349383986.db2.gz ZZODHERKNJRKMM-UHFFFAOYSA-N -1 1 325.376 2.366 20 0 EEADMM CCc1nc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cs1 ZINC001590914321 1349409651 /nfs/dbraw/zinc/40/96/51/1349409651.db2.gz MWQXQVQIKQBGCP-UHFFFAOYSA-N -1 1 342.432 2.208 20 0 EEADMM CCc1nc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cs1 ZINC001590914321 1349409658 /nfs/dbraw/zinc/40/96/58/1349409658.db2.gz MWQXQVQIKQBGCP-UHFFFAOYSA-N -1 1 342.432 2.208 20 0 EEADMM CCc1nc(NCCOc2ccc(C)cc2)cc(-c2nnn[n-]2)n1 ZINC001590922320 1349412987 /nfs/dbraw/zinc/41/29/87/1349412987.db2.gz KLZROTSOBRGLDN-UHFFFAOYSA-N -1 1 325.376 2.018 20 0 EEADMM CCc1nc(NCCOc2ccc(C)cc2)cc(-c2nn[n-]n2)n1 ZINC001590922320 1349412991 /nfs/dbraw/zinc/41/29/91/1349412991.db2.gz KLZROTSOBRGLDN-UHFFFAOYSA-N -1 1 325.376 2.018 20 0 EEADMM CN(CCCNC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001591077407 1349437764 /nfs/dbraw/zinc/43/77/64/1349437764.db2.gz AJPHQDNUQVJWNQ-UHFFFAOYSA-N -1 1 342.428 2.185 20 0 EEADMM CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1nc2c(s1)CCCC2 ZINC001591152264 1349441526 /nfs/dbraw/zinc/44/15/26/1349441526.db2.gz UDIXDQNAMCWLNB-UHFFFAOYSA-N -1 1 347.473 2.291 20 0 EEADMM CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1nc2c(s1)CCCC2 ZINC001591152264 1349441529 /nfs/dbraw/zinc/44/15/29/1349441529.db2.gz UDIXDQNAMCWLNB-UHFFFAOYSA-N -1 1 347.473 2.291 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001591606015 1349513024 /nfs/dbraw/zinc/51/30/24/1349513024.db2.gz KRZIGGTVLSEBHD-MRVPVSSYSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001591606015 1349513031 /nfs/dbraw/zinc/51/30/31/1349513031.db2.gz KRZIGGTVLSEBHD-MRVPVSSYSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591621854 1349517884 /nfs/dbraw/zinc/51/78/84/1349517884.db2.gz LSSKAFPEOFBKEG-SNVBAGLBSA-N -1 1 325.328 2.188 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591621854 1349517888 /nfs/dbraw/zinc/51/78/88/1349517888.db2.gz LSSKAFPEOFBKEG-SNVBAGLBSA-N -1 1 325.328 2.188 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001591644299 1349522931 /nfs/dbraw/zinc/52/29/31/1349522931.db2.gz XOUWRLYAIHHCNW-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM COc1cccc([C@H]2C[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001591644299 1349522940 /nfs/dbraw/zinc/52/29/40/1349522940.db2.gz XOUWRLYAIHHCNW-JOCQHMNTSA-N -1 1 337.387 2.048 20 0 EEADMM Cc1nsc(N2CCc3nc(C(C)C)ncc3C2)c1-c1nn[n-]n1 ZINC001592476211 1349635979 /nfs/dbraw/zinc/63/59/79/1349635979.db2.gz NAACWKVPJDYVRR-UHFFFAOYSA-N -1 1 342.432 2.108 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001592503627 1349640018 /nfs/dbraw/zinc/64/00/18/1349640018.db2.gz VZLMYABKLSUDEE-STQMWFEESA-N -1 1 327.747 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001592503627 1349640020 /nfs/dbraw/zinc/64/00/20/1349640020.db2.gz VZLMYABKLSUDEE-STQMWFEESA-N -1 1 327.747 2.203 20 0 EEADMM Clc1nc(N2CC[C@H](c3nccs3)C2)sc1-c1nnn[n-]1 ZINC001592540116 1349652618 /nfs/dbraw/zinc/65/26/18/1349652618.db2.gz GLTRBINSYJBFRH-LURJTMIESA-N -1 1 339.837 2.427 20 0 EEADMM Clc1nc(N2CC[C@H](c3nccs3)C2)sc1-c1nn[n-]n1 ZINC001592540116 1349652621 /nfs/dbraw/zinc/65/26/21/1349652621.db2.gz GLTRBINSYJBFRH-LURJTMIESA-N -1 1 339.837 2.427 20 0 EEADMM FC(F)CN(CC1CCC1)c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592624256 1349677771 /nfs/dbraw/zinc/67/77/71/1349677771.db2.gz KMYMZIQYWBFQHN-UHFFFAOYSA-N -1 1 335.362 2.406 20 0 EEADMM FC(F)CN(CC1CCC1)c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592624256 1349677775 /nfs/dbraw/zinc/67/77/75/1349677775.db2.gz KMYMZIQYWBFQHN-UHFFFAOYSA-N -1 1 335.362 2.406 20 0 EEADMM Fc1ccc(OCc2ncc(Cl)nc2Cl)c(-c2nn[n-]n2)n1 ZINC001592652297 1349696758 /nfs/dbraw/zinc/69/67/58/1349696758.db2.gz CTOROGSDMZAPIP-UHFFFAOYSA-N -1 1 342.121 2.077 20 0 EEADMM Fc1cccc(Oc2cc(C(F)F)nc3ncnn32)c1-c1nnn[n-]1 ZINC001592658849 1349702628 /nfs/dbraw/zinc/70/26/28/1349702628.db2.gz WRBXTIGIVSNETM-UHFFFAOYSA-N -1 1 348.248 2.173 20 0 EEADMM Fc1cccc(Oc2cc(C(F)F)nc3ncnn32)c1-c1nn[n-]n1 ZINC001592658849 1349702632 /nfs/dbraw/zinc/70/26/32/1349702632.db2.gz WRBXTIGIVSNETM-UHFFFAOYSA-N -1 1 348.248 2.173 20 0 EEADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nnn[n-]2)n1 ZINC001592955250 1349729012 /nfs/dbraw/zinc/72/90/12/1349729012.db2.gz MBYBEHGOYODBKT-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cccc(-c2nn[n-]n2)n1 ZINC001592955250 1349729016 /nfs/dbraw/zinc/72/90/16/1349729016.db2.gz MBYBEHGOYODBKT-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1csc(-c2nn[n-]n2)c1 ZINC001592965998 1349730263 /nfs/dbraw/zinc/73/02/63/1349730263.db2.gz RCHFEFGWFVFQEK-IACUBPJLSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2OC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592995874 1349732102 /nfs/dbraw/zinc/73/21/02/1349732102.db2.gz DUMDDSREWVEFNB-LLVKDONJSA-N -1 1 341.396 2.052 20 0 EEADMM O=C(N[C@@H]1CCc2ccccc2OC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592995874 1349732107 /nfs/dbraw/zinc/73/21/07/1349732107.db2.gz DUMDDSREWVEFNB-LLVKDONJSA-N -1 1 341.396 2.052 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593180790 1349744984 /nfs/dbraw/zinc/74/49/84/1349744984.db2.gz OMMWSDVZGSWZAX-GXTWGEPZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593180790 1349744988 /nfs/dbraw/zinc/74/49/88/1349744988.db2.gz OMMWSDVZGSWZAX-GXTWGEPZSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@]1(c2ccccc2)CCCO1 ZINC001593297974 1349771340 /nfs/dbraw/zinc/77/13/40/1349771340.db2.gz UZDZWNKCLBJSBO-QGZVFWFLSA-N -1 1 340.339 2.209 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@]1(c2ccccc2)CCCO1 ZINC001593297974 1349771342 /nfs/dbraw/zinc/77/13/42/1349771342.db2.gz UZDZWNKCLBJSBO-QGZVFWFLSA-N -1 1 340.339 2.209 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCc2cccnc21 ZINC001593298488 1349772047 /nfs/dbraw/zinc/77/20/47/1349772047.db2.gz DXPSVQPVMXMJFA-LLVKDONJSA-N -1 1 327.369 2.096 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@H](OC2CCC2)C1 ZINC001593370707 1349791461 /nfs/dbraw/zinc/79/14/61/1349791461.db2.gz GGCGIYHQRHFFJW-GFCCVEGCSA-N -1 1 333.417 2.102 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCN(C2CC2)c2ccccc21 ZINC001593368857 1349792208 /nfs/dbraw/zinc/79/22/08/1349792208.db2.gz BDBXCKPUXXWKJD-UHFFFAOYSA-N -1 1 336.355 2.089 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCN(C2CC2)c2ccccc21 ZINC001593368857 1349792211 /nfs/dbraw/zinc/79/22/11/1349792211.db2.gz BDBXCKPUXXWKJD-UHFFFAOYSA-N -1 1 336.355 2.089 20 0 EEADMM O=C1CC[C@@H](c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)N1 ZINC001593391629 1349796127 /nfs/dbraw/zinc/79/61/27/1349796127.db2.gz ZPNYYSKJBCGXGG-ZDUSSCGKSA-N -1 1 340.412 2.491 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC[C@@H](O)c2ccccc2)c2ccccc12 ZINC001593493666 1349818461 /nfs/dbraw/zinc/81/84/61/1349818461.db2.gz AMJYSJSFJBCGSO-QGZVFWFLSA-N -1 1 347.378 2.305 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCCCC1 ZINC001593506693 1349824004 /nfs/dbraw/zinc/82/40/04/1349824004.db2.gz KNVIIEFNRUKZQQ-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCCCC1 ZINC001593506693 1349824007 /nfs/dbraw/zinc/82/40/07/1349824007.db2.gz KNVIIEFNRUKZQQ-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM O[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593537200 1349834764 /nfs/dbraw/zinc/83/47/64/1349834764.db2.gz IIMZZXNEUGUCDD-OCCSQVGLSA-N -1 1 342.790 2.375 20 0 EEADMM O[C@@H]1CCc2ccccc2[C@@H]1Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593537200 1349834770 /nfs/dbraw/zinc/83/47/70/1349834770.db2.gz IIMZZXNEUGUCDD-OCCSQVGLSA-N -1 1 342.790 2.375 20 0 EEADMM OCc1cccc(Sc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC001593535810 1349834955 /nfs/dbraw/zinc/83/49/55/1349834955.db2.gz DEOKVPXBZDNZPP-UHFFFAOYSA-N -1 1 336.380 2.453 20 0 EEADMM c1ccc(C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC001593572909 1349857305 /nfs/dbraw/zinc/85/73/05/1349857305.db2.gz ICBDGDQHOANBMI-INIZCTEOSA-N -1 1 343.394 2.475 20 0 EEADMM c1ccc([C@@H]2N(c3cncc(-c4nnn[n-]4)n3)CC23CCOCC3)cc1 ZINC001593573354 1349858262 /nfs/dbraw/zinc/85/82/62/1349858262.db2.gz PSNOOWKMRUPJRB-INIZCTEOSA-N -1 1 349.398 2.015 20 0 EEADMM c1ccc([C@@H]2N(c3cncc(-c4nn[n-]n4)n3)CC23CCOCC3)cc1 ZINC001593573354 1349858266 /nfs/dbraw/zinc/85/82/66/1349858266.db2.gz PSNOOWKMRUPJRB-INIZCTEOSA-N -1 1 349.398 2.015 20 0 EEADMM c1ccc(C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)c2ccccn2)cc1 ZINC001593574036 1349858783 /nfs/dbraw/zinc/85/87/83/1349858783.db2.gz VXYGFZATJIRTME-KRWDZBQOSA-N -1 1 343.394 2.475 20 0 EEADMM c1ccc(C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)c2ccccn2)cc1 ZINC001593574036 1349858785 /nfs/dbraw/zinc/85/87/85/1349858785.db2.gz VXYGFZATJIRTME-KRWDZBQOSA-N -1 1 343.394 2.475 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)[nH]n1 ZINC001594806279 1349877771 /nfs/dbraw/zinc/87/77/71/1349877771.db2.gz DELFAACXODBGQW-ZDUSSCGKSA-N -1 1 341.327 2.088 20 0 EEADMM Cc1cc(C)c(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC001600160251 1349982532 /nfs/dbraw/zinc/98/25/32/1349982532.db2.gz SMAQLYUIKJUNTI-MRXNPFEDSA-N -1 1 347.459 2.302 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001600357093 1350028755 /nfs/dbraw/zinc/02/87/55/1350028755.db2.gz ROLUONNQHSDKNA-ZBFHGGJFSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1cccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1Br ZINC001600532719 1350074938 /nfs/dbraw/zinc/07/49/38/1350074938.db2.gz QCSKJDNCFXEXFU-CQSZACIVSA-N -1 1 342.233 2.415 20 0 EEADMM Cc1[nH]nc(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1C ZINC001600670791 1350114168 /nfs/dbraw/zinc/11/41/68/1350114168.db2.gz LTHFJLJXXSXMMP-UHFFFAOYSA-N -1 1 326.356 2.065 20 0 EEADMM Cc1sc([C@H]2CCCN2c2ncnc3[nH]cnc32)nc1C(=O)[O-] ZINC001600879456 1350158642 /nfs/dbraw/zinc/15/86/42/1350158642.db2.gz KDMKBUWEZNPTQP-MRVPVSSYSA-N -1 1 330.373 2.158 20 0 EEADMM Cn1c(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)nc2ccccc2c1=O ZINC001600913824 1350166482 /nfs/dbraw/zinc/16/64/82/1350166482.db2.gz QUKXEGDDQOVNFS-XEZPLFJOSA-N -1 1 341.411 2.009 20 0 EEADMM Cn1nccc1[C@H](NCc1ccc(Cl)nc1C(F)(F)F)C(=O)[O-] ZINC001601034668 1350194806 /nfs/dbraw/zinc/19/48/06/1350194806.db2.gz PHWMOPOBJZFZNA-JTQLQIEISA-N -1 1 348.712 2.403 20 0 EEADMM 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CN(CC(C)(C)NC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)n1 ZINC001604715186 1350990766 /nfs/dbraw/zinc/99/07/66/1350990766.db2.gz STFRANOMISYYKC-UHFFFAOYSA-N -1 1 347.423 2.001 20 0 EEADMM CN(CC(C)(C)NC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)n1 ZINC001604715186 1350990769 /nfs/dbraw/zinc/99/07/69/1350990769.db2.gz STFRANOMISYYKC-UHFFFAOYSA-N -1 1 347.423 2.001 20 0 EEADMM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Br)CCN1C ZINC001604787179 1351003542 /nfs/dbraw/zinc/00/35/42/1351003542.db2.gz XHKNFTVUMTVRBO-MFKMUULPSA-N -1 1 327.222 2.211 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(O)c2ccccc2c1 ZINC001604792881 1351005523 /nfs/dbraw/zinc/00/55/23/1351005523.db2.gz IHJFXMLCMQLKHV-ZDUSSCGKSA-N -1 1 342.395 2.166 20 0 EEADMM CC[C@@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC001605032591 1351063223 /nfs/dbraw/zinc/06/32/23/1351063223.db2.gz KGKVQJJOQUSVBE-HOTGVXAUSA-N -1 1 347.459 2.371 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001605165667 1351092816 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COc1cccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001605313115 1351133153 /nfs/dbraw/zinc/13/31/53/1351133153.db2.gz PKBFHFWCLJRVFF-VIFPVBQESA-N -1 1 327.344 2.268 20 0 EEADMM COc1cccc([C@H]2C[C@H](Nc3cc(C)nc(-c4nnn[n-]4)c3)C2)c1 ZINC001605323298 1351136927 /nfs/dbraw/zinc/13/69/27/1351136927.db2.gz MLXWZLKNBSHCSM-CTYIDZIISA-N -1 1 336.399 2.359 20 0 EEADMM COc1cccc([C@H]2C[C@H](Nc3cc(C)nc(-c4nn[n-]n4)c3)C2)c1 ZINC001605323298 1351136931 /nfs/dbraw/zinc/13/69/31/1351136931.db2.gz MLXWZLKNBSHCSM-CTYIDZIISA-N -1 1 336.399 2.359 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC2CCC(C)(C)CC2)nn1C ZINC001605465254 1351163907 /nfs/dbraw/zinc/16/39/07/1351163907.db2.gz JNHNXULBMUIGOU-UHFFFAOYSA-N -1 1 331.424 2.454 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC2CCC(C)(C)CC2)nn1C ZINC001605465254 1351163909 /nfs/dbraw/zinc/16/39/09/1351163909.db2.gz JNHNXULBMUIGOU-UHFFFAOYSA-N -1 1 331.424 2.454 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(C(=O)[O-])oc1CC ZINC001605536077 1351183323 /nfs/dbraw/zinc/18/33/23/1351183323.db2.gz WNRSSRALNGECFN-QWHCGFSZSA-N -1 1 339.388 2.083 20 0 EEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1n[nH]cc1-c1nnn[n-]1 ZINC001606115894 1351273662 /nfs/dbraw/zinc/27/36/62/1351273662.db2.gz HNIMWNSYWKNWLW-UHFFFAOYSA-N -1 1 349.402 2.064 20 0 EEADMM Cc1nn(Cc2ccccc2)c(C)c1CNc1n[nH]cc1-c1nn[n-]n1 ZINC001606115894 1351273666 /nfs/dbraw/zinc/27/36/66/1351273666.db2.gz HNIMWNSYWKNWLW-UHFFFAOYSA-N -1 1 349.402 2.064 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)C2CCCCCC2)c1-c1nnn[n-]1 ZINC001606180194 1351282675 /nfs/dbraw/zinc/28/26/75/1351282675.db2.gz IYRBIGMVPXOZHM-JTQLQIEISA-N -1 1 332.408 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C)C2CCCCCC2)c1-c1nn[n-]n1 ZINC001606180194 1351282677 /nfs/dbraw/zinc/28/26/77/1351282677.db2.gz IYRBIGMVPXOZHM-JTQLQIEISA-N -1 1 332.408 2.181 20 0 EEADMM COC(=O)c1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C(F)(F)F)c1 ZINC001606587714 1351327509 /nfs/dbraw/zinc/32/75/09/1351327509.db2.gz ABZCLZDHXCIYCO-PJXYFTJBSA-N -1 1 343.301 2.254 20 0 EEADMM O=C(N[C@@H](c1ccccn1)C1CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606638690 1351335617 /nfs/dbraw/zinc/33/56/17/1351335617.db2.gz QBGMHVHXIIDMTA-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001606705719 1351344720 /nfs/dbraw/zinc/34/47/20/1351344720.db2.gz VENWAZZVEFYYKM-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001606705719 1351344726 /nfs/dbraw/zinc/34/47/26/1351344726.db2.gz VENWAZZVEFYYKM-UHFFFAOYSA-N -1 1 348.410 2.405 20 0 EEADMM O=C(NCc1ccc2cccnc2c1)c1csc(-c2nn[n-]n2)c1 ZINC001606832481 1351364170 /nfs/dbraw/zinc/36/41/70/1351364170.db2.gz KQBUZDSZFOGIKO-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)C1(C2CCCCC2)CC1 ZINC001606842088 1351365982 /nfs/dbraw/zinc/36/59/82/1351365982.db2.gz HCPGWSOAMDSIJX-UHFFFAOYSA-N -1 1 326.404 2.238 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)C1(C2CCCCC2)CC1 ZINC001606842088 1351365984 /nfs/dbraw/zinc/36/59/84/1351365984.db2.gz HCPGWSOAMDSIJX-UHFFFAOYSA-N -1 1 326.404 2.238 20 0 EEADMM COCCN(CCC(=O)[O-])C(=O)c1cccc2[nH]c(C(F)F)nc21 ZINC001606886892 1351370286 /nfs/dbraw/zinc/37/02/86/1351370286.db2.gz QKAOFSVGEPFRLR-UHFFFAOYSA-N -1 1 341.314 2.064 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cccc(Br)c1 ZINC001606935376 1351379740 /nfs/dbraw/zinc/37/97/40/1351379740.db2.gz VHEWPGNFQGUDJR-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC001606935376 1351379742 /nfs/dbraw/zinc/37/97/42/1351379742.db2.gz VHEWPGNFQGUDJR-UHFFFAOYSA-N -1 1 345.160 2.277 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H](c1ccccc1)C1CC1 ZINC001606953493 1351383881 /nfs/dbraw/zinc/38/38/81/1351383881.db2.gz SVNUIKWDZUTQFO-GFCCVEGCSA-N -1 1 326.385 2.456 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H](c1ccccc1)C1CC1 ZINC001606953493 1351383883 /nfs/dbraw/zinc/38/38/83/1351383883.db2.gz SVNUIKWDZUTQFO-GFCCVEGCSA-N -1 1 326.385 2.456 20 0 EEADMM O=C(Oc1ccccc1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606990766 1351394428 /nfs/dbraw/zinc/39/44/28/1351394428.db2.gz SZZIZMIJPDZPSZ-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001607017475 1351398601 /nfs/dbraw/zinc/39/86/01/1351398601.db2.gz UCEFWWMUNPQBQL-GTNSWQLSSA-N -1 1 336.355 2.006 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001607017475 1351398603 /nfs/dbraw/zinc/39/86/03/1351398603.db2.gz UCEFWWMUNPQBQL-GTNSWQLSSA-N -1 1 336.355 2.006 20 0 EEADMM O=C1Nc2ccccc2CC[C@H]1Sc1cccnc1-c1nnn[n-]1 ZINC001607052425 1351404501 /nfs/dbraw/zinc/40/45/01/1351404501.db2.gz IZTUTEBEXXCRKZ-CYBMUJFWSA-N -1 1 338.396 2.307 20 0 EEADMM O=C1Nc2ccccc2CC[C@H]1Sc1cccnc1-c1nn[n-]n1 ZINC001607052425 1351404503 /nfs/dbraw/zinc/40/45/03/1351404503.db2.gz IZTUTEBEXXCRKZ-CYBMUJFWSA-N -1 1 338.396 2.307 20 0 EEADMM O=S(=O)(Oc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001607069612 1351406303 /nfs/dbraw/zinc/40/63/03/1351406303.db2.gz JWCBVHFAXOUCIT-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1F ZINC001607073309 1351406557 /nfs/dbraw/zinc/40/65/57/1351406557.db2.gz GWCRJDOHUGZGJD-QFIPXVFZSA-N -1 1 337.767 2.362 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1F ZINC001607073309 1351406562 /nfs/dbraw/zinc/40/65/62/1351406562.db2.gz GWCRJDOHUGZGJD-QFIPXVFZSA-N -1 1 337.767 2.362 20 0 EEADMM O[C@@H](c1nccn1Cc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001607096465 1351416406 /nfs/dbraw/zinc/41/64/06/1351416406.db2.gz CURLKPDEFJASNJ-OAHLLOKOSA-N -1 1 339.403 2.120 20 0 EEADMM O[C@@H](c1nccn1Cc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001607096465 1351416409 /nfs/dbraw/zinc/41/64/09/1351416409.db2.gz CURLKPDEFJASNJ-OAHLLOKOSA-N -1 1 339.403 2.120 20 0 EEADMM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1n[nH]c2ccccc21 ZINC001607116230 1351425017 /nfs/dbraw/zinc/42/50/17/1351425017.db2.gz YNWCCJCVPQQMHC-UHFFFAOYSA-N -1 1 339.351 2.242 20 0 EEADMM c1ccc2c(c1)CCCN(c1cc(-c3nnn[n-]3)nc(C3CC3)n1)C2 ZINC001607132438 1351434055 /nfs/dbraw/zinc/43/40/55/1351434055.db2.gz HQPPTBMFPJOTRM-UHFFFAOYSA-N -1 1 333.399 2.487 20 0 EEADMM c1ccc2c(c1)CCCN(c1cc(-c3nn[n-]n3)nc(C3CC3)n1)C2 ZINC001607132438 1351434057 /nfs/dbraw/zinc/43/40/57/1351434057.db2.gz HQPPTBMFPJOTRM-UHFFFAOYSA-N -1 1 333.399 2.487 20 0 EEADMM COc1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc(OC)c1O ZINC001607158011 1351440327 /nfs/dbraw/zinc/44/03/27/1351440327.db2.gz WLTLLQZVBGJCDV-CQSZACIVSA-N -1 1 349.305 2.248 20 0 EEADMM COc1ccc2nc([C@@H](C)NC(=O)c3cc(C(=O)[O-])ccn3)[nH]c2c1 ZINC001607292585 1351466288 /nfs/dbraw/zinc/46/62/88/1351466288.db2.gz GMKXMHFGGZVDNC-SECBINFHSA-N -1 1 340.339 2.156 20 0 EEADMM C[C@H](NC(=O)[C@H](C)N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)[O-] ZINC001607459548 1351497539 /nfs/dbraw/zinc/49/75/39/1351497539.db2.gz FGHOWWCWCBACQM-HOTUBEGUSA-N -1 1 342.848 2.444 20 0 EEADMM Cc1[nH]c(CNCC(=O)Nc2cccc3cccnc32)cc1C(=O)[O-] ZINC001607496643 1351505249 /nfs/dbraw/zinc/50/52/49/1351505249.db2.gz BOCNJBHDZQGYLG-UHFFFAOYSA-N -1 1 338.367 2.298 20 0 EEADMM Cc1nc(C(C)C)ccc1CN1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001607949303 1351591363 /nfs/dbraw/zinc/59/13/63/1351591363.db2.gz XXLWYDZXTULQQJ-CQSZACIVSA-N -1 1 329.404 2.250 20 0 EEADMM Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001608092421 1351623394 /nfs/dbraw/zinc/62/33/94/1351623394.db2.gz SHZQEPYJHIHXES-XMELGKRDSA-N -1 1 328.368 2.243 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3ccc(C)c(Cl)c3)nc2n1 ZINC001623439527 1352397044 /nfs/dbraw/zinc/39/70/44/1352397044.db2.gz VWCQHNUJJTVBMR-UHFFFAOYSA-N -1 1 331.763 2.194 20 0 EEADMM Cc1ccoc1CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001624786226 1352431129 /nfs/dbraw/zinc/43/11/29/1352431129.db2.gz SKGRBESADUBVTE-CQSZACIVSA-N -1 1 349.753 2.342 20 0 EEADMM O=C(COC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccc([O-])cc1O ZINC001649830174 1353615886 /nfs/dbraw/zinc/61/58/86/1353615886.db2.gz GBUOGMXFBWAZPR-CYBMUJFWSA-N -1 1 341.363 2.350 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N(CCC(C)C)C1CCCC1 ZINC001650299519 1353832634 /nfs/dbraw/zinc/83/26/34/1353832634.db2.gz ZBLGUOQXBXLVPU-UHFFFAOYSA-N -1 1 332.456 2.197 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N(CCC(C)C)C1CCCC1 ZINC001650299519 1353832639 /nfs/dbraw/zinc/83/26/39/1353832639.db2.gz ZBLGUOQXBXLVPU-UHFFFAOYSA-N -1 1 332.456 2.197 20 0 EEADMM Cn1cnnc1CC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC001650593363 1354011419 /nfs/dbraw/zinc/01/14/19/1354011419.db2.gz UQXUFSFZMHQING-UHFFFAOYSA-N -1 1 334.807 2.269 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@]12CCC[C@H]1OCC2 ZINC000830782740 1367388763 /nfs/dbraw/zinc/38/87/63/1367388763.db2.gz PEJOOOYAMPETGF-KZULUSFZSA-N -1 1 333.432 2.477 20 0 EEADMM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635907 1367669975 /nfs/dbraw/zinc/66/99/75/1367669975.db2.gz YYWFQEMAWAXWEQ-SECBINFHSA-N -1 1 344.437 2.009 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=O ZINC001185796479 1368169227 /nfs/dbraw/zinc/16/92/27/1368169227.db2.gz IIBCMSMKDJIJIZ-UHFFFAOYSA-N -1 1 344.349 2.117 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cn(C)nc2C(F)(F)F)c(OC)c1 ZINC001190110108 1368394383 /nfs/dbraw/zinc/39/43/83/1368394383.db2.gz HBSUBSKAQHWWSF-UHFFFAOYSA-N -1 1 345.277 2.414 20 0 EEADMM COc1ccc2c(c1)OC[C@H](CNC(=O)c1cc([O-])cnc1Cl)C2 ZINC001195314374 1368517412 /nfs/dbraw/zinc/51/74/12/1368517412.db2.gz DVBPVVGKZNCUNV-JTQLQIEISA-N -1 1 348.786 2.430 20 0 EEADMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCO[C@H]1C1CC1 ZINC000867117460 1368522005 /nfs/dbraw/zinc/52/20/05/1368522005.db2.gz FCTRUUDBKXERFS-JSGCOSHPSA-N -1 1 348.827 2.358 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CC2)c1ccc2nccnc2c1 ZINC001198155195 1368625853 /nfs/dbraw/zinc/62/58/53/1368625853.db2.gz IOKHTONSYFTXOT-KRWDZBQOSA-N -1 1 341.392 2.410 20 0 EEADMM CO[C@H](C[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F)C(F)(F)F ZINC000830514047 1372330743 /nfs/dbraw/zinc/33/07/43/1372330743.db2.gz BJQUHBUSBWOSPL-RKDXNWHRSA-N -1 1 339.326 2.309 20 0 EEADMM CCCNC(=O)Cc1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000830714095 1372344615 /nfs/dbraw/zinc/34/46/15/1372344615.db2.gz RVYXCHBTLUNBBW-UHFFFAOYSA-N -1 1 337.376 2.309 20 0 EEADMM CCCCCCO[C@@H](C)C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831120554 1372364928 /nfs/dbraw/zinc/36/49/28/1372364928.db2.gz ALOTYOZHSZWSEL-NSHDSACASA-N -1 1 338.370 2.109 20 0 EEADMM [O-]c1c(F)cc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1F ZINC001140990548 1372731299 /nfs/dbraw/zinc/73/12/99/1372731299.db2.gz GGHRLLHXFPBULY-UHFFFAOYSA-N -1 1 340.761 2.436 20 0 EEADMM CN(C)C(=O)COc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC001361817814 1373342131 /nfs/dbraw/zinc/34/21/31/1373342131.db2.gz ASYPWJOQZGTGRW-UHFFFAOYSA-N -1 1 332.331 2.251 20 0 EEADMM CCNC(=O)COc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001362058085 1373363504 /nfs/dbraw/zinc/36/35/04/1373363504.db2.gz PXQRRDYWVVZPQZ-UHFFFAOYSA-N -1 1 332.331 2.299 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(F)c(O)c1 ZINC001362287984 1373387622 /nfs/dbraw/zinc/38/76/22/1373387622.db2.gz VACZYCUGRBXZII-UHFFFAOYSA-N -1 1 342.323 2.294 20 0 EEADMM O=C(Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)c1ccccc1[O-] ZINC001362454783 1373413950 /nfs/dbraw/zinc/41/39/50/1373413950.db2.gz WLMVBOGANSHMMQ-OAHLLOKOSA-N -1 1 340.379 2.241 20 0 EEADMM COc1cccc(C(=O)C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC001364020151 1373572483 /nfs/dbraw/zinc/57/24/83/1373572483.db2.gz JIIZOQXFKKIBHQ-UHFFFAOYSA-N -1 1 341.335 2.135 20 0 EEADMM CC[C@H](C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371682985 1375577266 /nfs/dbraw/zinc/57/72/66/1375577266.db2.gz QKRLLGNNSXENHU-MELADBBJSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC(=O)N[C@]1(CNC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001375396752 1377689264 /nfs/dbraw/zinc/68/92/64/1377689264.db2.gz FLUOWNRTJMNPQA-ACJLOTCBSA-N -1 1 333.432 2.382 20 0 EEADMM CC(C)C[C@H](C)CC(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001375694362 1377930784 /nfs/dbraw/zinc/93/07/84/1377930784.db2.gz IKRLNEJWOXLSLI-KBPBESRZSA-N -1 1 335.448 2.342 20 0 EEADMM CCC1(C(=O)NC[C@@H]2CCN2C(=O)c2ncccc2[O-])CCCCC1 ZINC001378370233 1379892282 /nfs/dbraw/zinc/89/22/82/1379892282.db2.gz IYRHWSQFYFCRFC-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001381580318 1381668629 /nfs/dbraw/zinc/66/86/29/1381668629.db2.gz WDYHANYDWKUDJU-CYBMUJFWSA-N -1 1 333.432 2.142 20 0 EEADMM CC(C)CC(=O)N[C@@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001384417224 1382939496 /nfs/dbraw/zinc/93/94/96/1382939496.db2.gz VOSNITTUPCZELJ-ZDUSSCGKSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ncccc3[O-])C2)C1 ZINC001384547911 1384683029 /nfs/dbraw/zinc/68/30/29/1384683029.db2.gz JVSCQZSLKZWLOD-ZIAGYGMSSA-N -1 1 345.443 2.144 20 0 EEADMM C[C@@H](C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1)C(C)(C)C ZINC001385864262 1385877388 /nfs/dbraw/zinc/87/73/88/1385877388.db2.gz AECPTTJTIGMVTM-AAEUAGOBSA-N -1 1 333.432 2.094 20 0 EEADMM C[C@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccsc1 ZINC001387443161 1386737653 /nfs/dbraw/zinc/73/76/53/1386737653.db2.gz VBASWUHXENJTGC-NEPJUHHUSA-N -1 1 347.440 2.277 20 0 EEADMM CN(CCNC(=O)c1sccc1Cl)C(=O)c1ncccc1[O-] ZINC001387790615 1387000761 /nfs/dbraw/zinc/00/07/61/1387000761.db2.gz HUGYADLRJBWHCO-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM CC(C)C[C@H](CNC(=O)C1(C)CCC1)NC(=O)c1ncccc1[O-] ZINC001391397297 1389341281 /nfs/dbraw/zinc/34/12/81/1389341281.db2.gz XEILILKRPHTFFW-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001391579345 1389452144 /nfs/dbraw/zinc/45/21/44/1389452144.db2.gz DHIAGSFXMUCCPK-CTASWTNQSA-N -1 1 345.443 2.094 20 0 EEADMM C[C@H](CNCc1csc(C2CC2)n1)NC(=O)c1ncccc1[O-] ZINC001392474440 1390054188 /nfs/dbraw/zinc/05/41/88/1390054188.db2.gz CGQMOPTWMDCTEG-SNVBAGLBSA-N -1 1 332.429 2.029 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001393309310 1390401894 /nfs/dbraw/zinc/40/18/94/1390401894.db2.gz SOOWWTBXHFVKGF-SJKOYZFVSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1cnc(Cl)s1 ZINC001394061425 1390600101 /nfs/dbraw/zinc/60/01/01/1390600101.db2.gz DPMNGJWCZCAMAM-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM O=C(CCC1CCC1)N[C@H]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001395944845 1390884809 /nfs/dbraw/zinc/88/48/09/1390884809.db2.gz FYYGHECGWOAAHE-CABCVRRESA-N -1 1 345.443 2.382 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CCC[C@@H]1C ZINC001398091470 1391688236 /nfs/dbraw/zinc/68/82/36/1391688236.db2.gz XYDZUAUVBOCHNJ-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001398175527 1391772596 /nfs/dbraw/zinc/77/25/96/1391772596.db2.gz SGAOXXYXIYKXEG-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cscc1C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001399546307 1395228667 /nfs/dbraw/zinc/22/86/67/1395228667.db2.gz LORJMQZHEAVKBX-ZDUSSCGKSA-N -1 1 347.440 2.342 20 0 EEADMM CCCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C(C)C)CC1 ZINC001399633139 1395334104 /nfs/dbraw/zinc/33/41/04/1395334104.db2.gz BGIGCCOILWIQLT-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cc(CN2CCC(C)(CNC(=O)c3ncccc3[O-])CC2)no1 ZINC001423677481 1400739433 /nfs/dbraw/zinc/73/94/33/1400739433.db2.gz VQBWQMYJHDQDJI-UHFFFAOYSA-N -1 1 344.415 2.116 20 0 EEADMM CCCC1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncccc2[O-])CC1 ZINC001423719036 1400766641 /nfs/dbraw/zinc/76/66/41/1400766641.db2.gz BLCTWAAHDKCVEM-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001423996274 1400860386 /nfs/dbraw/zinc/86/03/86/1400860386.db2.gz VICATEYKEJFZBE-UONOGXRCSA-N -1 1 345.443 2.048 20 0 EEADMM Cc1ccccc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001426218061 1401963308 /nfs/dbraw/zinc/96/33/08/1401963308.db2.gz IUCJRROPWMSOTQ-KGLIPLIRSA-N -1 1 341.411 2.423 20 0 EEADMM CCCC1(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])CCC1 ZINC001426619426 1402120596 /nfs/dbraw/zinc/12/05/96/1402120596.db2.gz WGTYIPXMRURELO-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001577211170 1403625968 /nfs/dbraw/zinc/62/59/68/1403625968.db2.gz UOPVPAMVABTIHH-WDEREUQCSA-N -1 1 349.464 2.129 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577282986 1403635075 /nfs/dbraw/zinc/63/50/75/1403635075.db2.gz VTTHVRCRWDJUGT-FBIMIBRVSA-N -1 1 349.464 2.127 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1 ZINC001578422988 1403752811 /nfs/dbraw/zinc/75/28/11/1403752811.db2.gz JCVVRGUHQQEKHS-LLVKDONJSA-N -1 1 349.441 2.358 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1ccsc1-c1nnn[n-]1 ZINC001579229996 1403779451 /nfs/dbraw/zinc/77/94/51/1403779451.db2.gz OVZVSLYMXQNSAA-UHFFFAOYSA-N -1 1 329.385 2.079 20 0 EEADMM CN(CCOc1ccccc1)C(=O)c1ccsc1-c1nn[n-]n1 ZINC001579229996 1403779455 /nfs/dbraw/zinc/77/94/55/1403779455.db2.gz OVZVSLYMXQNSAA-UHFFFAOYSA-N -1 1 329.385 2.079 20 0 EEADMM COCc1ccc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC001591455581 1403914174 /nfs/dbraw/zinc/91/41/74/1403914174.db2.gz ANNWWDAVDGZJHP-UHFFFAOYSA-N -1 1 335.327 2.125 20 0 EEADMM COCc1ccc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC001591455581 1403914181 /nfs/dbraw/zinc/91/41/81/1403914181.db2.gz ANNWWDAVDGZJHP-UHFFFAOYSA-N -1 1 335.327 2.125 20 0 EEADMM COc1cc(Nc2ccnc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC001591547693 1403926262 /nfs/dbraw/zinc/92/62/62/1403926262.db2.gz IRGGEAASOCJWTH-UHFFFAOYSA-N -1 1 326.360 2.223 20 0 EEADMM COc1cc(Nc2ccnc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC001591547693 1403926271 /nfs/dbraw/zinc/92/62/71/1403926271.db2.gz IRGGEAASOCJWTH-UHFFFAOYSA-N -1 1 326.360 2.223 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccccc3OC3(CCC3)C2)n1 ZINC001591891681 1403969426 /nfs/dbraw/zinc/96/94/26/1403969426.db2.gz UWKGNPNUKWQQNU-UHFFFAOYSA-N -1 1 349.398 2.287 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccccc3OC3(CCC3)C2)n1 ZINC001591891681 1403969428 /nfs/dbraw/zinc/96/94/28/1403969428.db2.gz UWKGNPNUKWQQNU-UHFFFAOYSA-N -1 1 349.398 2.287 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2Cc3ccccc3OC(C)(C)C2)n1 ZINC001591891335 1403969688 /nfs/dbraw/zinc/96/96/88/1403969688.db2.gz CVGSYUQECSSNOK-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2Cc3ccccc3OC(C)(C)C2)n1 ZINC001591891335 1403969694 /nfs/dbraw/zinc/96/96/94/1403969694.db2.gz CVGSYUQECSSNOK-UHFFFAOYSA-N -1 1 337.387 2.143 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC2(C(F)(F)F)CCCC2)n1 ZINC001591895802 1403970919 /nfs/dbraw/zinc/97/09/19/1403970919.db2.gz FYDRLDRFDIZWOV-UHFFFAOYSA-N -1 1 327.314 2.500 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC2(C(F)(F)F)CCCC2)n1 ZINC001591895802 1403970925 /nfs/dbraw/zinc/97/09/25/1403970925.db2.gz FYDRLDRFDIZWOV-UHFFFAOYSA-N -1 1 327.314 2.500 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001592140769 1404006386 /nfs/dbraw/zinc/00/63/86/1404006386.db2.gz ZUPWFYLKVXPYNE-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM Cc1nc(NCCc2ccc3ccccc3n2)cc(-c2nnn[n-]2)n1 ZINC001592391027 1404026552 /nfs/dbraw/zinc/02/65/52/1404026552.db2.gz CJNFUXPQDTZQQN-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nc(NCCc2ccc3ccccc3n2)cc(-c2nn[n-]n2)n1 ZINC001592391027 1404026561 /nfs/dbraw/zinc/02/65/61/1404026561.db2.gz CJNFUXPQDTZQQN-UHFFFAOYSA-N -1 1 332.371 2.168 20 0 EEADMM Cc1nc(NCCc2ccc(OC(F)F)cc2)cc(-c2nnn[n-]2)n1 ZINC001592390998 1404027883 /nfs/dbraw/zinc/02/78/83/1404027883.db2.gz BGEIPOXGRUFALH-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1nc(NCCc2ccc(OC(F)F)cc2)cc(-c2nn[n-]n2)n1 ZINC001592390998 1404027894 /nfs/dbraw/zinc/02/78/94/1404027894.db2.gz BGEIPOXGRUFALH-UHFFFAOYSA-N -1 1 347.329 2.221 20 0 EEADMM Cc1nsc(NC(=O)CSCCC(C)C)c1-c1nnn[n-]1 ZINC001592480422 1404698401 /nfs/dbraw/zinc/69/84/01/1404698401.db2.gz XYVUPVNFDPQCOX-UHFFFAOYSA-N -1 1 326.451 2.349 20 0 EEADMM Cc1nsc(NC(=O)CSCCC(C)C)c1-c1nn[n-]n1 ZINC001592480422 1404698415 /nfs/dbraw/zinc/69/84/15/1404698415.db2.gz XYVUPVNFDPQCOX-UHFFFAOYSA-N -1 1 326.451 2.349 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NC[C@H](c1ccccc1)C1CC1 ZINC001592915453 1404729686 /nfs/dbraw/zinc/72/96/86/1404729686.db2.gz OPLMJBASQCNVEI-MRXNPFEDSA-N -1 1 348.410 2.114 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NC[C@H](c1ccccc1)C1CC1 ZINC001592915453 1404729692 /nfs/dbraw/zinc/72/96/92/1404729692.db2.gz OPLMJBASQCNVEI-MRXNPFEDSA-N -1 1 348.410 2.114 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1OC(F)F ZINC001592915434 1404730112 /nfs/dbraw/zinc/73/01/12/1404730112.db2.gz VGNDIRLXZZGEBF-UHFFFAOYSA-N -1 1 347.281 2.011 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1OC(F)F ZINC001592915434 1404730116 /nfs/dbraw/zinc/73/01/16/1404730116.db2.gz VGNDIRLXZZGEBF-UHFFFAOYSA-N -1 1 347.281 2.011 20 0 EEADMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccsc1-c1nnn[n-]1 ZINC001592995238 1404731547 /nfs/dbraw/zinc/73/15/47/1404731547.db2.gz GGYPYBUCOQTKRK-LLVKDONJSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccsc1-c1nn[n-]n1 ZINC001592995238 1404731554 /nfs/dbraw/zinc/73/15/54/1404731554.db2.gz GGYPYBUCOQTKRK-LLVKDONJSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(NCC1CCSCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593044984 1404739950 /nfs/dbraw/zinc/73/99/50/1404739950.db2.gz WGJPINFOWSPXIO-UHFFFAOYSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NCC1CCSCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593044984 1404739956 /nfs/dbraw/zinc/73/99/56/1404739956.db2.gz WGJPINFOWSPXIO-UHFFFAOYSA-N -1 1 339.371 2.018 20 0 EEADMM O=C(NCCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593105902 1404742913 /nfs/dbraw/zinc/74/29/13/1404742913.db2.gz BBKANNVDFNMZDL-UHFFFAOYSA-N -1 1 346.753 2.027 20 0 EEADMM O=C(Nc1ccc(CNc2cccnc2-c2nnn[n-]2)cc1)C1CC1 ZINC001593227366 1404747599 /nfs/dbraw/zinc/74/75/99/1404747599.db2.gz JSNQGXCDDBGQFU-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM O=C(Nc1ccc(CNc2cccnc2-c2nn[n-]n2)cc1)C1CC1 ZINC001593227366 1404747604 /nfs/dbraw/zinc/74/76/04/1404747604.db2.gz JSNQGXCDDBGQFU-UHFFFAOYSA-N -1 1 335.371 2.222 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001605700522 1404750573 /nfs/dbraw/zinc/75/05/73/1404750573.db2.gz UTYADIPCTPNUPD-MRXNPFEDSA-N -1 1 340.362 2.287 20 0 EEADMM Cc1cc(N2CCO[C@@H](c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001605700522 1404750576 /nfs/dbraw/zinc/75/05/76/1404750576.db2.gz UTYADIPCTPNUPD-MRXNPFEDSA-N -1 1 340.362 2.287 20 0 EEADMM CCc1[nH]c(CN2CCC[C@H](Cc3nc(C)no3)C2)cc1C(=O)[O-] ZINC001605771591 1404753770 /nfs/dbraw/zinc/75/37/70/1404753770.db2.gz FFRUPUFDDKNROQ-GFCCVEGCSA-N -1 1 332.404 2.421 20 0 EEADMM FC(F)(F)c1cccc(CCNc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001606293006 1404780023 /nfs/dbraw/zinc/78/00/23/1404780023.db2.gz APKNNQHOUNXOSL-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1cccc(CCNc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001606293006 1404780031 /nfs/dbraw/zinc/78/00/31/1404780031.db2.gz APKNNQHOUNXOSL-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NCCc2ccns2)c1 ZINC001606293462 1404780132 /nfs/dbraw/zinc/78/01/32/1404780132.db2.gz QRBJVEHMHWDBFQ-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NCCc2ccns2)c1 ZINC001606293462 1404780141 /nfs/dbraw/zinc/78/01/41/1404780141.db2.gz QRBJVEHMHWDBFQ-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001606327068 1404794286 /nfs/dbraw/zinc/79/42/86/1404794286.db2.gz VFDFGWUYHXEJDZ-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001606327068 1404794290 /nfs/dbraw/zinc/79/42/90/1404794290.db2.gz VFDFGWUYHXEJDZ-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM CCCc1nc(C(=O)[N-]c2nc(C)no2)nn1-c1ccccc1F ZINC000173167265 1405743682 /nfs/dbraw/zinc/74/36/82/1405743682.db2.gz LRWQNLNRWGKITR-UHFFFAOYSA-N -1 1 330.323 2.303 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H](CNC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC001756409032 1408423706 /nfs/dbraw/zinc/42/37/06/1408423706.db2.gz LAAZQLSEFLGGOZ-HUUCEWRRSA-N -1 1 343.427 2.110 20 0 EEADMM C/C(=C\C(=O)NCCC1(CNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001756892788 1409459989 /nfs/dbraw/zinc/45/99/89/1409459989.db2.gz VEHWFBKISMYCPR-ACCUITESSA-N -1 1 343.427 2.160 20 0 EEADMM CCc1ncsc1C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000442151804 1409866417 /nfs/dbraw/zinc/86/64/17/1409866417.db2.gz 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578267587 /nfs/dbraw/zinc/26/75/87/578267587.db2.gz ZQKZAKSCVKQYCJ-ZETCQYMHSA-N -1 1 336.812 2.200 20 0 EEADMM Cn1ncc2c1CCC[C@@H]2Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000737629747 578267588 /nfs/dbraw/zinc/26/75/88/578267588.db2.gz ZQKZAKSCVKQYCJ-ZETCQYMHSA-N -1 1 336.812 2.200 20 0 EEADMM O=C(C[C@@H]1CCc2ccccc2C1)N1CCC(c2nn[n-]n2)CC1 ZINC000737818332 578270211 /nfs/dbraw/zinc/27/02/11/578270211.db2.gz IBCSGDCSIHDIKP-CYBMUJFWSA-N -1 1 325.416 2.101 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000819966115 599194232 /nfs/dbraw/zinc/19/42/32/599194232.db2.gz WWBTUTNONMDWDJ-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000819966115 599194235 /nfs/dbraw/zinc/19/42/35/599194235.db2.gz WWBTUTNONMDWDJ-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM COc1ccccc1N1CC[C@@H](NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000263434551 596971692 /nfs/dbraw/zinc/97/16/92/596971692.db2.gz UAKYVARRWUQGKA-OAHLLOKOSA-N -1 1 340.379 2.289 20 0 EEADMM O=C([O-])C1CCN(C[C@H](O)c2ccccc2Br)CC1 ZINC000821511076 597375027 /nfs/dbraw/zinc/37/50/27/597375027.db2.gz BQHBNCZEUFTKAG-ZDUSSCGKSA-N -1 1 328.206 2.279 20 0 EEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000820398373 598158472 /nfs/dbraw/zinc/15/84/72/598158472.db2.gz RHXYLSLDKLAHQU-UHFFFAOYSA-N -1 1 349.364 2.136 20 0 EEADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCN1C[C@H](C)O ZINC000820296971 598169451 /nfs/dbraw/zinc/16/94/51/598169451.db2.gz HWWTWSPKZRSAJH-ZFWWWQNUSA-N -1 1 349.431 2.002 20 0 EEADMM COc1ccc([C@H](C)CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000821777410 599587965 /nfs/dbraw/zinc/58/79/65/599587965.db2.gz FBTUTGXCUYDWQM-LLVKDONJSA-N -1 1 325.376 2.271 20 0 EEADMM COc1ccc([C@H](C)CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000821777410 599587968 /nfs/dbraw/zinc/58/79/68/599587968.db2.gz FBTUTGXCUYDWQM-LLVKDONJSA-N -1 1 325.376 2.271 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000832848343 601082137 /nfs/dbraw/zinc/08/21/37/601082137.db2.gz ARBYHWFYRRNVCW-UHFFFAOYSA-N -1 1 343.261 2.453 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000827375095 601092112 /nfs/dbraw/zinc/09/21/12/601092112.db2.gz PQXPVTFQGBKPHK-LLVKDONJSA-N -1 1 349.818 2.442 20 0 EEADMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cnc2ccccc12 ZINC000832850227 601139316 /nfs/dbraw/zinc/13/93/16/601139316.db2.gz KOBNAMWWPMLUPR-ZDUSSCGKSA-N -1 1 341.411 2.164 20 0 EEADMM COc1cccc(/C(C)=C\C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832524385 601291265 /nfs/dbraw/zinc/29/12/65/601291265.db2.gz WNAWSKDFEZBIGV-QKXCFHHRSA-N -1 1 346.427 2.106 20 0 EEADMM O=C([O-])[C@]1(F)CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000833174982 601438643 /nfs/dbraw/zinc/43/86/43/601438643.db2.gz KVKVMIXSASCPGZ-HNNXBMFYSA-N -1 1 339.754 2.431 20 0 EEADMM Cc1cc(C(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)n1-c1nccs1 ZINC000832857898 601534289 /nfs/dbraw/zinc/53/42/89/601534289.db2.gz DAHDIVJWBAUGHW-IINYFYTJSA-N -1 1 347.440 2.386 20 0 EEADMM CC(=O)Nc1cccc2c1CCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824005088 607515731 /nfs/dbraw/zinc/51/57/31/607515731.db2.gz KHIKSUPNECKTHH-UHFFFAOYSA-N -1 1 349.398 2.173 20 0 EEADMM CC(=O)Nc1cccc2c1CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824005088 607515733 /nfs/dbraw/zinc/51/57/33/607515733.db2.gz KHIKSUPNECKTHH-UHFFFAOYSA-N -1 1 349.398 2.173 20 0 EEADMM CCN1CCN(c2ccccc2NC(=O)NCC(C)(C)C(=O)[O-])CC1 ZINC000829781487 601624546 /nfs/dbraw/zinc/62/45/46/601624546.db2.gz YFYVDAQAQKMYFK-UHFFFAOYSA-N -1 1 348.447 2.061 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(CN2C(=S)N=NC2CCC2CCCC2)C1 ZINC000828029129 601893520 /nfs/dbraw/zinc/89/35/20/601893520.db2.gz RKOCZFMQNKNHJP-INIZCTEOSA-N -1 1 338.477 2.444 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000263193819 601918738 /nfs/dbraw/zinc/91/87/38/601918738.db2.gz TXCKLVIRCUDDIS-CQSZACIVSA-N -1 1 342.189 2.474 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN1CC[C@@](C)(C(=O)[O-])C1 ZINC000316941622 601921044 /nfs/dbraw/zinc/92/10/44/601921044.db2.gz XXVDSQHFOATGIP-OAHLLOKOSA-N -1 1 326.780 2.084 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCc2[nH]ncc21)Cc1cccc(F)c1 ZINC000833163025 602029476 /nfs/dbraw/zinc/02/94/76/602029476.db2.gz GLKKTVUPMSWNKN-OCCSQVGLSA-N -1 1 345.374 2.028 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)[C@H](C)CC(=O)[O-])N1CCCC1 ZINC000832593986 602073645 /nfs/dbraw/zinc/07/36/45/602073645.db2.gz AJNTVDBZSKKTOH-UKRRQHHQSA-N -1 1 334.416 2.059 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]2CC(=O)[O-])N2CCCC2)o1 ZINC000832924744 604506624 /nfs/dbraw/zinc/50/66/24/604506624.db2.gz YOUGAGCDJOKQLH-LSDHHAIUSA-N -1 1 349.431 2.374 20 0 EEADMM CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC000833462878 604619694 /nfs/dbraw/zinc/61/96/94/604619694.db2.gz HWSVAMRKFBEODA-GDBMZVCRSA-N -1 1 348.443 2.275 20 0 EEADMM C[C@H](C[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000827449677 604744751 /nfs/dbraw/zinc/74/47/51/604744751.db2.gz NQLAXAHWPUPMME-LLVKDONJSA-N -1 1 347.440 2.444 20 0 EEADMM C[C@H](CN(CC(=O)N(C)c1nc2ccccc2s1)C1CC1)C(=O)[O-] ZINC000827449677 604744753 /nfs/dbraw/zinc/74/47/53/604744753.db2.gz NQLAXAHWPUPMME-LLVKDONJSA-N -1 1 347.440 2.444 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833634652 604752868 /nfs/dbraw/zinc/75/28/68/604752868.db2.gz JQPPWGZYOSIIIV-GDBMZVCRSA-N -1 1 330.428 2.403 20 0 EEADMM CC(C)COC(=O)N1CCCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000833490458 604867105 /nfs/dbraw/zinc/86/71/05/604867105.db2.gz VIHJQNZFWKKOCL-HNNXBMFYSA-N -1 1 335.404 2.008 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000325392246 604933920 /nfs/dbraw/zinc/93/39/20/604933920.db2.gz WBISKUPONYEMCZ-AWEZNQCLSA-N -1 1 329.400 2.320 20 0 EEADMM O=C([O-])c1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)cc1F ZINC000833165089 604996093 /nfs/dbraw/zinc/99/60/93/604996093.db2.gz DESXUEMLFPSEGX-UHFFFAOYSA-N -1 1 326.287 2.357 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)o1 ZINC000833605991 605045912 /nfs/dbraw/zinc/04/59/12/605045912.db2.gz VKEUYGWYWZMMHE-IPYPFGDCSA-N -1 1 349.431 2.093 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCC(C)(C)C ZINC000833623418 605049655 /nfs/dbraw/zinc/04/96/55/605049655.db2.gz HNOWUCCXHFFCHI-CQSZACIVSA-N -1 1 327.469 2.393 20 0 EEADMM CC(C)[C@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000833468755 605080199 /nfs/dbraw/zinc/08/01/99/605080199.db2.gz KCSXDYILZBVHJG-HOTGVXAUSA-N -1 1 329.400 2.352 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@H]1C ZINC000833656217 605160345 /nfs/dbraw/zinc/16/03/45/605160345.db2.gz IULMOZBLIQWWBZ-CHWSQXEVSA-N -1 1 334.420 2.401 20 0 EEADMM C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)CCN1CCC(=O)[O-] ZINC000833617771 605253191 /nfs/dbraw/zinc/25/31/91/605253191.db2.gz GWENSDPFGYTBOT-DXWDOBMASA-N -1 1 330.428 2.487 20 0 EEADMM CC(C)[C@@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000833465455 605275140 /nfs/dbraw/zinc/27/51/40/605275140.db2.gz KFSZHFJLWBZUEK-MAUKXSAKSA-N -1 1 332.444 2.434 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833749028 605467569 /nfs/dbraw/zinc/46/75/69/605467569.db2.gz ZHYURMAVGMCXEO-JKSUJKDBSA-N -1 1 332.444 2.181 20 0 EEADMM CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821020943 606171823 /nfs/dbraw/zinc/17/18/23/606171823.db2.gz KBFIVNJVCUCKKJ-ZDUSSCGKSA-N -1 1 340.391 2.263 20 0 EEADMM CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821020943 606171824 /nfs/dbraw/zinc/17/18/24/606171824.db2.gz KBFIVNJVCUCKKJ-ZDUSSCGKSA-N -1 1 340.391 2.263 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-n2cncn2)cc1 ZINC000820461534 606441590 /nfs/dbraw/zinc/44/15/90/606441590.db2.gz LRVXDLIWADUEBD-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-n2cncn2)cc1 ZINC000820461534 606441591 /nfs/dbraw/zinc/44/15/91/606441591.db2.gz LRVXDLIWADUEBD-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM CCC[C@@H]1C[C@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821034341 606459818 /nfs/dbraw/zinc/45/98/18/606459818.db2.gz KQNIKHIIYHSIMJ-VXGBXAGGSA-N -1 1 340.387 2.477 20 0 EEADMM CCC[C@@H]1C[C@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821034341 606459819 /nfs/dbraw/zinc/45/98/19/606459819.db2.gz KQNIKHIIYHSIMJ-VXGBXAGGSA-N -1 1 340.387 2.477 20 0 EEADMM O=C(NCCCOC1CCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823190636 606520959 /nfs/dbraw/zinc/52/09/59/606520959.db2.gz AUGQFFMBIBWCAZ-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(NCCCOC1CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823190636 606520960 /nfs/dbraw/zinc/52/09/60/606520960.db2.gz AUGQFFMBIBWCAZ-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704974 606525669 /nfs/dbraw/zinc/52/56/69/606525669.db2.gz QWNTYIOWPTYAOW-WDEREUQCSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704974 606525671 /nfs/dbraw/zinc/52/56/71/606525671.db2.gz QWNTYIOWPTYAOW-WDEREUQCSA-N -1 1 335.433 2.253 20 0 EEADMM O=C(NCCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823190711 606540833 /nfs/dbraw/zinc/54/08/33/606540833.db2.gz DKWIHGLSFUUZLE-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NCCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823190711 606540834 /nfs/dbraw/zinc/54/08/34/606540834.db2.gz DKWIHGLSFUUZLE-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(NC1(c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139326 606568592 /nfs/dbraw/zinc/56/85/92/606568592.db2.gz DCXCUVXBVMTQOK-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(NC1(c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139326 606568593 /nfs/dbraw/zinc/56/85/93/606568593.db2.gz DCXCUVXBVMTQOK-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140365 606570282 /nfs/dbraw/zinc/57/02/82/606570282.db2.gz UCXBECXSDYPCPD-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(NC1(c2cccc(F)c2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140365 606570284 /nfs/dbraw/zinc/57/02/84/606570284.db2.gz UCXBECXSDYPCPD-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144194 606573859 /nfs/dbraw/zinc/57/38/59/606573859.db2.gz CRBBKWTWZNVPHF-NWDGAFQWSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144194 606573860 /nfs/dbraw/zinc/57/38/60/606573860.db2.gz CRBBKWTWZNVPHF-NWDGAFQWSA-N -1 1 325.397 2.289 20 0 EEADMM Cc1ccccc1SCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822366551 606652070 /nfs/dbraw/zinc/65/20/70/606652070.db2.gz MTUYKNCHTCYKPX-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM Cc1ccccc1SCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822366551 606652071 /nfs/dbraw/zinc/65/20/71/606652071.db2.gz MTUYKNCHTCYKPX-UHFFFAOYSA-N -1 1 341.396 2.406 20 0 EEADMM O=C(CCCOc1ccc(F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958929 607024084 /nfs/dbraw/zinc/02/40/84/607024084.db2.gz OARVYYQXRYHZOX-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM O=C(CCCOc1ccc(F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958929 607024087 /nfs/dbraw/zinc/02/40/87/607024087.db2.gz OARVYYQXRYHZOX-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM CCOCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCC1 ZINC000821373650 607029656 /nfs/dbraw/zinc/02/96/56/607029656.db2.gz JWYXXZMMVSRIAR-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM CCOCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCC1 ZINC000821373650 607029658 /nfs/dbraw/zinc/02/96/58/607029658.db2.gz JWYXXZMMVSRIAR-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM COc1ccc(CCCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821790048 607104845 /nfs/dbraw/zinc/10/48/45/607104845.db2.gz GEHNRQNIIKPVIY-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM COc1ccc(CCCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821790048 607104847 /nfs/dbraw/zinc/10/48/47/607104847.db2.gz GEHNRQNIIKPVIY-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823379616 607105350 /nfs/dbraw/zinc/10/53/50/607105350.db2.gz AWSKPCPQPPFMJN-CBAPKCEASA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000823379616 607105352 /nfs/dbraw/zinc/10/53/52/607105352.db2.gz AWSKPCPQPPFMJN-CBAPKCEASA-N -1 1 348.338 2.344 20 0 EEADMM Clc1nsc(N[C@@H]2CCOC3(CCC3)C2)c1-c1nnn[n-]1 ZINC000822591573 607132986 /nfs/dbraw/zinc/13/29/86/607132986.db2.gz VMFRPSOKAGIOHG-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@@H]2CCOC3(CCC3)C2)c1-c1nn[n-]n1 ZINC000822591573 607132988 /nfs/dbraw/zinc/13/29/88/607132988.db2.gz VMFRPSOKAGIOHG-SSDOTTSWSA-N -1 1 326.813 2.490 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824200684 607819695 /nfs/dbraw/zinc/81/96/95/607819695.db2.gz RYIWVPIQCUDRHC-OAHLLOKOSA-N -1 1 341.419 2.265 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824200684 607819696 /nfs/dbraw/zinc/81/96/96/607819696.db2.gz RYIWVPIQCUDRHC-OAHLLOKOSA-N -1 1 341.419 2.265 20 0 EEADMM CC(C)(C)CCS(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000824085091 607867535 /nfs/dbraw/zinc/86/75/35/607867535.db2.gz ATVUMASGZQMCSD-UHFFFAOYSA-N -1 1 328.369 2.151 20 0 EEADMM CC(C)(C)CCS(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000824085091 607867536 /nfs/dbraw/zinc/86/75/36/607867536.db2.gz ATVUMASGZQMCSD-UHFFFAOYSA-N -1 1 328.369 2.151 20 0 EEADMM CCOC(=O)[C@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000825494341 607900822 /nfs/dbraw/zinc/90/08/22/607900822.db2.gz WPFMGHLFIVVRNM-CYBMUJFWSA-N -1 1 338.371 2.021 20 0 EEADMM CCOC(=O)[C@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000825494341 607900823 /nfs/dbraw/zinc/90/08/23/607900823.db2.gz WPFMGHLFIVVRNM-CYBMUJFWSA-N -1 1 338.371 2.021 20 0 EEADMM COC[C@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccc(F)c(F)c1 ZINC000826150677 608313896 /nfs/dbraw/zinc/31/38/96/608313896.db2.gz JMUODDCOZIRKQO-ZDUSSCGKSA-N -1 1 335.314 2.215 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C2=COCCO2)c(-c2nnn[n-]2)s1 ZINC000824131275 608349654 /nfs/dbraw/zinc/34/96/54/608349654.db2.gz YOSPPOHSWZHZNA-UHFFFAOYSA-N -1 1 335.389 2.052 20 0 EEADMM CC(C)(C)c1cc(NC(=O)C2=COCCO2)c(-c2nn[n-]n2)s1 ZINC000824131275 608349655 /nfs/dbraw/zinc/34/96/55/608349655.db2.gz YOSPPOHSWZHZNA-UHFFFAOYSA-N -1 1 335.389 2.052 20 0 EEADMM c1cnn(CCNc2ccccc2Oc2ncccc2-c2nn[n-]n2)c1 ZINC000826522723 609177497 /nfs/dbraw/zinc/17/74/97/609177497.db2.gz LTRCWRFQWWMHHK-UHFFFAOYSA-N -1 1 348.370 2.363 20 0 EEADMM O=C(/C=C/C1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826399804 609289396 /nfs/dbraw/zinc/28/93/96/609289396.db2.gz GNEYEEKLNZSVAE-VOTSOKGWSA-N -1 1 339.334 2.096 20 0 EEADMM C[C@H]1C[C@@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000824885589 609596114 /nfs/dbraw/zinc/59/61/14/609596114.db2.gz SYXTZHIPPPZYQL-RYUDHWBXSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@H]1C[C@@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000824885589 609596116 /nfs/dbraw/zinc/59/61/16/609596116.db2.gz SYXTZHIPPPZYQL-RYUDHWBXSA-N -1 1 339.403 2.427 20 0 EEADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)[C@@H]1CCO[C@@H]1C ZINC000092213200 674707081 /nfs/dbraw/zinc/70/70/81/674707081.db2.gz ITPOWTIRZCSYFE-DGCLKSJQSA-N -1 1 345.424 2.305 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1C[NH+](CCc2ccccc2F)C1 ZINC000969542143 675098633 /nfs/dbraw/zinc/09/86/33/675098633.db2.gz FAMAJIVAKQDWKV-ZDUSSCGKSA-N -1 1 343.402 2.219 20 0 EEADMM Cc1nc(-c2ccc(NC(=O)Cc3sc(N)nc3[O-])cc2)oc1C ZINC000079680823 675441481 /nfs/dbraw/zinc/44/14/81/675441481.db2.gz CXHXQTMUBNMFMS-GFCCVEGCSA-N -1 1 344.396 2.244 20 0 EEADMM O=C(NC[C@@H](O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000078705811 676652051 /nfs/dbraw/zinc/65/20/51/676652051.db2.gz CGZVKIRHWDQUBS-LLVKDONJSA-N -1 1 326.146 2.211 20 0 EEADMM C[C@@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)COc2ccccc2O1 ZINC000891616094 676723427 /nfs/dbraw/zinc/72/34/27/676723427.db2.gz UVBBKRACDBNJSR-SFHVURJKSA-N -1 1 341.367 2.230 20 0 EEADMM CC(C)Oc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cn1 ZINC000891622831 676731538 /nfs/dbraw/zinc/73/15/38/676731538.db2.gz GPHBQBLTWCCRHY-UHFFFAOYSA-N -1 1 328.372 2.496 20 0 EEADMM COc1ccc(O[C@H](C)C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000891627293 676735346 /nfs/dbraw/zinc/73/53/46/676735346.db2.gz 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Cc1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)co1 ZINC000983577641 682886146 /nfs/dbraw/zinc/88/61/46/682886146.db2.gz PJNUWQCQGUWJDB-UONOGXRCSA-N -1 1 343.383 2.160 20 0 EEADMM COc1ccc2c(c1)CCCCN2C(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909549834 685628542 /nfs/dbraw/zinc/62/85/42/685628542.db2.gz SAANIISKNVABED-HNNXBMFYSA-N -1 1 346.427 2.161 20 0 EEADMM CCCC(=O)N(C)Cc1ccccc1CNC(=O)c1ncccc1[O-] ZINC001060490939 683795162 /nfs/dbraw/zinc/79/51/62/683795162.db2.gz OUCRUHYTDKSMRD-UHFFFAOYSA-N -1 1 341.411 2.476 20 0 EEADMM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2sc(N)nc2[O-])cc1 ZINC000153274529 683922783 /nfs/dbraw/zinc/92/27/83/683922783.db2.gz MIJVXSWAZNXRMG-RISCZKNCSA-N -1 1 333.457 2.204 20 0 EEADMM COCc1nc(N2CCO[C@H](CCc3ccccc3)C2)cc(=O)[n-]1 ZINC000893162512 683922968 /nfs/dbraw/zinc/92/29/68/683922968.db2.gz LWDDVNDXPVEUPP-OAHLLOKOSA-N -1 1 329.400 2.167 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974054882 684265055 /nfs/dbraw/zinc/26/50/55/684265055.db2.gz QHSABMNHLMDDLZ-TXEJJXNPSA-N -1 1 345.443 2.237 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000974055873 684274127 /nfs/dbraw/zinc/27/41/27/684274127.db2.gz BBMDVRIIFCKAHF-MELADBBJSA-N -1 1 343.427 2.135 20 0 EEADMM CC(C)(CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc(F)cc1 ZINC000866902029 684354318 /nfs/dbraw/zinc/35/43/18/684354318.db2.gz VGNHIRGQLIXGPY-LBPRGKRZSA-N -1 1 331.395 2.413 20 0 EEADMM O=C(C[C@@H]1CC=CCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978742617 693864737 /nfs/dbraw/zinc/86/47/37/693864737.db2.gz AEWNHICCSYIWGT-KFWWJZLASA-N -1 1 343.427 2.158 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]c(=O)c(Br)c1 ZINC000194586726 684952162 /nfs/dbraw/zinc/95/21/62/684952162.db2.gz JPVWLSCABCXVBT-UHFFFAOYSA-N -1 1 344.552 2.144 20 0 EEADMM COCC(C)(C)c1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000896575904 685083837 /nfs/dbraw/zinc/08/38/37/685083837.db2.gz CXXNHUOPKPNAGQ-VIFPVBQESA-N -1 1 345.446 2.095 20 0 EEADMM CO[C@]1(C(=O)Nc2nc(Br)ccc2[O-])CCSC1 ZINC000897111945 686159881 /nfs/dbraw/zinc/15/98/81/686159881.db2.gz HLZLRBQRIPVTBJ-LLVKDONJSA-N -1 1 333.207 2.010 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(CCCCF)no1 ZINC000897213093 686253041 /nfs/dbraw/zinc/25/30/41/686253041.db2.gz FQUQVHDUDNJSTA-VIFPVBQESA-N -1 1 333.410 2.463 20 0 EEADMM CCC(CC)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514994 686265335 /nfs/dbraw/zinc/26/53/35/686265335.db2.gz ORFDGKCDNMFEMC-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515942 686282994 /nfs/dbraw/zinc/28/29/94/686282994.db2.gz BBOWMKRYMCSYKI-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM O=C(CC1CCCC1)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975226696 686320001 /nfs/dbraw/zinc/32/00/01/686320001.db2.gz RDQMHRCLSYIEIV-HNNXBMFYSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975227554 686320405 /nfs/dbraw/zinc/32/04/05/686320405.db2.gz 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CN(CCc1ccccc1)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000909358474 687742467 /nfs/dbraw/zinc/74/24/67/687742467.db2.gz BLWYNTKEJDMXMN-GOSISDBHSA-N -1 1 344.386 2.242 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3F)C2)c1[O-] ZINC001027370472 687755741 /nfs/dbraw/zinc/75/57/41/687755741.db2.gz NLEVCAFXKSOBES-AWEZNQCLSA-N -1 1 346.406 2.299 20 0 EEADMM Cc1cccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC000936485502 688035567 /nfs/dbraw/zinc/03/55/67/688035567.db2.gz NVXHGLOAPLBYTC-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM CC(C)=CC(=O)N1CCC([C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000986749735 688882655 /nfs/dbraw/zinc/88/26/55/688882655.db2.gz VPFBFEMQLOLLNO-CYBMUJFWSA-N -1 1 331.416 2.110 20 0 EEADMM O=C(/C=C\C1CC1)N1CCCCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000986965975 689140760 /nfs/dbraw/zinc/14/07/60/689140760.db2.gz JKGKBSJVAOMODZ-KVPUOBJLSA-N -1 1 343.427 2.254 20 0 EEADMM COC[C@@](C)(NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000904010355 694268397 /nfs/dbraw/zinc/26/83/97/694268397.db2.gz 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344.415 2.220 20 0 EEADMM CC1(C(=O)N[C@@H]2CCCCN(C(=O)c3ncccc3[O-])C2)CCC1 ZINC000943419315 1192257816 /nfs/dbraw/zinc/25/78/16/1192257816.db2.gz BLRGBURDMCCRCH-CYBMUJFWSA-N -1 1 331.416 2.088 20 0 EEADMM O=C(NC1CN(C(=O)c2ncccc2[O-])C1)c1ccc2c(c1)C=CCC2 ZINC000995372796 1192446604 /nfs/dbraw/zinc/44/66/04/1192446604.db2.gz KLJFVDJCPFKQCY-UHFFFAOYSA-N -1 1 349.390 2.001 20 0 EEADMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000081755622 1192498380 /nfs/dbraw/zinc/49/83/80/1192498380.db2.gz SUQULBYLBOERAV-AWEZNQCLSA-N -1 1 341.415 2.108 20 0 EEADMM O=C(NCc1ccc(CNC(=O)C2CCC2)cc1)c1ncccc1[O-] ZINC000943780108 1192550068 /nfs/dbraw/zinc/55/00/68/1192550068.db2.gz ZWETUZKIZGSGCX-UHFFFAOYSA-N -1 1 339.395 2.134 20 0 EEADMM CC1(C)OC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)O1 ZINC000230242560 1178333654 /nfs/dbraw/zinc/33/36/54/1178333654.db2.gz JKKIYWSBBSWXES-ZCFIWIBFSA-N -1 1 346.257 2.485 20 0 EEADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001771693222 1178506616 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O=C(c1ncccc1[O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC000952474613 1211442343 /nfs/dbraw/zinc/44/23/43/1211442343.db2.gz GNGYFHFNNYGPLY-CABCVRRESA-N -1 1 343.427 2.183 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000952529619 1211471884 /nfs/dbraw/zinc/47/18/84/1211471884.db2.gz FZBQGNHRJDKGMS-APIJFGDWSA-N -1 1 343.427 2.039 20 0 EEADMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938320 1211585460 /nfs/dbraw/zinc/58/54/60/1211585460.db2.gz MIJUBYNDNSVEML-HXUWFJFHSA-N -1 1 329.443 2.258 20 0 EEADMM O=C(CCC1CC1)N1CC[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000953281966 1211740593 /nfs/dbraw/zinc/74/05/93/1211740593.db2.gz CYFIGTVZLDJNNR-GJZGRUSLSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)(C)CC(=O)N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000953316215 1211758039 /nfs/dbraw/zinc/75/80/39/1211758039.db2.gz HDBUJFPPUDXYCV-KBPBESRZSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C(=O)N2CC[C@H]3CCN(C(=O)c4ncccc4[O-])[C@H]3C2)CCC1 ZINC000953410802 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CC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000965274338 1218999763 /nfs/dbraw/zinc/99/97/63/1218999763.db2.gz FDDAUJFDCOXNCV-CABCVRRESA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC000966333795 1219684279 /nfs/dbraw/zinc/68/42/79/1219684279.db2.gz FJQOAKCAMUFNMI-YPMHNXCESA-N -1 1 347.390 2.162 20 0 EEADMM CN(C[C@H]1CCCN(C(=O)CC2(C)CC2)C1)C(=O)c1ncccc1[O-] ZINC000967093965 1220267829 /nfs/dbraw/zinc/26/78/29/1220267829.db2.gz NAIWHNDKYIIJOC-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CC1CC(C(=O)N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])CC2)C1 ZINC000967528482 1220600565 /nfs/dbraw/zinc/60/05/65/1220600565.db2.gz UXIRHFSXLQGELH-NRXISQOPSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC000967906810 1220908996 /nfs/dbraw/zinc/90/89/96/1220908996.db2.gz JNSHOKAMOGROQE-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2ccnc(Cl)c2)C1)c1ncccc1[O-] ZINC001007188291 1222125222 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EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000827786548 1248728797 /nfs/dbraw/zinc/72/87/97/1248728797.db2.gz DIDHOOBUJRKHHK-CHWSQXEVSA-N -1 1 346.456 2.297 20 0 EEADMM Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001017497513 1227468718 /nfs/dbraw/zinc/46/87/18/1227468718.db2.gz HRNMSOLIMMPOQH-BETUJISGSA-N -1 1 344.440 2.041 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCCCO1 ZINC001039555908 1230692756 /nfs/dbraw/zinc/69/27/56/1230692756.db2.gz UKFWSBCCIIBVTA-OWCLPIDISA-N -1 1 345.443 2.035 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C2CN(CC3CCC4(CC4)CC3)C2)c1[O-] ZINC001042620018 1232122695 /nfs/dbraw/zinc/12/26/95/1232122695.db2.gz RJXMIIVVFPOQCS-UHFFFAOYSA-N -1 1 332.448 2.150 20 0 EEADMM Cc1ccc(F)cc1CN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042643514 1232128035 /nfs/dbraw/zinc/12/80/35/1232128035.db2.gz DTKBCXCPTGFHPW-UHFFFAOYSA-N -1 1 329.375 2.191 20 0 EEADMM CC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045227165 1233597031 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ZINC001260209753 1319833062 /nfs/dbraw/zinc/83/30/62/1319833062.db2.gz RMXAUMBQDCHXCJ-UHFFFAOYSA-N -1 1 349.343 2.281 20 0 EEADMM O=C(NCCC1(CNCc2n[nH]c(=O)[n-]2)CC1)[C@@H]1CCC=CCCC1 ZINC001165702864 1321569854 /nfs/dbraw/zinc/56/98/54/1321569854.db2.gz GNVYTSKIGCTKHR-CQSZACIVSA-N -1 1 347.463 2.023 20 0 EEADMM CN1CCN(c2ccc(Nc3cc(F)cc(C(=O)[O-])c3)nc2)CC1 ZINC001209884675 1325085219 /nfs/dbraw/zinc/08/52/19/1325085219.db2.gz APVHUKLRNOEMMS-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)o1)C(=O)c1ccc(F)cc1F ZINC001590010127 1349106072 /nfs/dbraw/zinc/10/60/72/1349106072.db2.gz NTBHNNQBNRCKRM-ZETCQYMHSA-N -1 1 348.265 2.166 20 0 EEADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590333841 1349270570 /nfs/dbraw/zinc/27/05/70/1349270570.db2.gz HKLQACDWYNVGCK-XHSYRHOGSA-N -1 1 325.376 2.034 20 0 EEADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590333841 1349270583 /nfs/dbraw/zinc/27/05/83/1349270583.db2.gz 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20 0 EEADMM CCOc1ccc(Nc2ncccc2C(=O)N(C)c2nn[n-]n2)cc1 ZINC001301547409 1331302785 /nfs/dbraw/zinc/30/27/85/1331302785.db2.gz KMSKMRMXPZTUKL-UHFFFAOYSA-N -1 1 339.359 2.014 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1OC1CC1 ZINC001301649011 1331307791 /nfs/dbraw/zinc/30/77/91/1331307791.db2.gz GWLBZBCBSOGJMS-MRXNPFEDSA-N -1 1 335.367 2.260 20 0 EEADMM O=S(=O)(Oc1ccc(F)cc1F)c1c[n-]nc1C(F)(F)F ZINC001308991155 1331611830 /nfs/dbraw/zinc/61/18/30/1331611830.db2.gz LOFRAEASKFWSNB-UHFFFAOYSA-N -1 1 328.218 2.474 20 0 EEADMM COc1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)sn1 ZINC001308995422 1331612846 /nfs/dbraw/zinc/61/28/46/1331612846.db2.gz VIKTXNUAPRNUGF-UHFFFAOYSA-N -1 1 337.426 2.154 20 0 EEADMM C=C/C=C/CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC001309812223 1331642987 /nfs/dbraw/zinc/64/29/87/1331642987.db2.gz KSIWBGWFHYRCTI-ONEGZZNKSA-N -1 1 335.198 2.394 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@H]2C(=O)[O-] ZINC001608609587 1351725208 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EEADMM O=C([O-])c1nccnc1Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC001609001053 1351811534 /nfs/dbraw/zinc/81/15/34/1351811534.db2.gz BKEUBBMHURDAAN-UHFFFAOYSA-N -1 1 335.295 2.389 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c2ccc(F)cc2n1 ZINC001321367200 1333086994 /nfs/dbraw/zinc/08/69/94/1333086994.db2.gz UUFQJOALOUGDNP-VIFPVBQESA-N -1 1 328.351 2.071 20 0 EEADMM CC(=Cc1cn2cc(C)ccc2n1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609060453 1351827305 /nfs/dbraw/zinc/82/73/05/1351827305.db2.gz MEEDZEBELCEKCE-UXBLZVDNSA-N -1 1 348.370 2.187 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC001609084451 1351835544 /nfs/dbraw/zinc/83/55/44/1351835544.db2.gz CJESCHZUJNVZDF-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC001609084451 1351835546 /nfs/dbraw/zinc/83/55/46/1351835546.db2.gz CJESCHZUJNVZDF-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1nnc2n1CCC2 ZINC001609126162 1351852777 /nfs/dbraw/zinc/85/27/77/1351852777.db2.gz IISVBVNSSJPAAI-SNVBAGLBSA-N -1 1 347.386 2.126 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1nnc2n1CCC2 ZINC001609126162 1351852779 /nfs/dbraw/zinc/85/27/79/1351852779.db2.gz IISVBVNSSJPAAI-SNVBAGLBSA-N -1 1 347.386 2.126 20 0 EEADMM O=S(=O)([N-]CCOC1CCC1)c1cnc(Cl)cc1Cl ZINC001324860272 1333775527 /nfs/dbraw/zinc/77/55/27/1333775527.db2.gz RXQNJJCQUXVUHN-UHFFFAOYSA-N -1 1 325.217 2.236 20 0 EEADMM CCCC[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609207289 1351891172 /nfs/dbraw/zinc/89/11/72/1351891172.db2.gz AWIMNCRYEKMAFB-JTQLQIEISA-N -1 1 341.412 2.205 20 0 EEADMM CCCC[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609207289 1351891174 /nfs/dbraw/zinc/89/11/74/1351891174.db2.gz AWIMNCRYEKMAFB-JTQLQIEISA-N -1 1 341.412 2.205 20 0 EEADMM Cc1nc(CCNCc2cn(-c3ccccc3)nn2)sc1C(=O)[O-] ZINC001326323096 1334068045 /nfs/dbraw/zinc/06/80/45/1334068045.db2.gz GCIYGYXRGGWSLN-UHFFFAOYSA-N -1 1 343.412 2.063 20 0 EEADMM COC(=O)c1sc(C)cc1OCc1nc(-c2nnn[n-]2)cs1 ZINC001609307127 1351925982 /nfs/dbraw/zinc/92/59/82/1351925982.db2.gz PBSLRXZMXNAXTF-UHFFFAOYSA-N -1 1 337.386 2.059 20 0 EEADMM COC(=O)c1sc(C)cc1OCc1nc(-c2nn[n-]n2)cs1 ZINC001609307127 1351925984 /nfs/dbraw/zinc/92/59/84/1351925984.db2.gz PBSLRXZMXNAXTF-UHFFFAOYSA-N -1 1 337.386 2.059 20 0 EEADMM CO[C@H]1Cc2ccc(Nc3snc(C)c3-c3nn[n-]n3)cc2C1 ZINC001609315893 1351930400 /nfs/dbraw/zinc/93/04/00/1351930400.db2.gz WKVDWVLQCCCYLS-LBPRGKRZSA-N -1 1 328.401 2.489 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2nc(Cl)c(-c3nnn[n-]3)s2)C12CCC2 ZINC001609313069 1351929511 /nfs/dbraw/zinc/92/95/11/1351929511.db2.gz BNPLIRYNBCRESJ-HTQZYQBOSA-N -1 1 340.840 2.370 20 0 EEADMM CO[C@@H]1C[C@@H](N(C)c2nc(Cl)c(-c3nn[n-]n3)s2)C12CCC2 ZINC001609313069 1351929514 /nfs/dbraw/zinc/92/95/14/1351929514.db2.gz BNPLIRYNBCRESJ-HTQZYQBOSA-N -1 1 340.840 2.370 20 0 EEADMM COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609354087 1351943262 /nfs/dbraw/zinc/94/32/62/1351943262.db2.gz KUFJXISMVRXSJG-LLVKDONJSA-N -1 1 341.371 2.172 20 0 EEADMM COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609354087 1351943264 /nfs/dbraw/zinc/94/32/64/1351943264.db2.gz KUFJXISMVRXSJG-LLVKDONJSA-N -1 1 341.371 2.172 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CO)c2)cc1 ZINC000007422037 1351948767 /nfs/dbraw/zinc/94/87/67/1351948767.db2.gz IADLSTKZUBKQPT-UHFFFAOYSA-N -1 1 335.381 2.156 20 0 EEADMM CON(C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(C)C ZINC001331110241 1334965156 /nfs/dbraw/zinc/96/51/56/1334965156.db2.gz MNGWWWOMSBAUIN-UHFFFAOYSA-N -1 1 330.388 2.284 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC001609399951 1351961335 /nfs/dbraw/zinc/96/13/35/1351961335.db2.gz WDRVNXDWBFXUAE-UHFFFAOYSA-N -1 1 341.371 2.063 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1cc(C)c(O)c(C)c1 ZINC001609399951 1351961337 /nfs/dbraw/zinc/96/13/37/1351961337.db2.gz WDRVNXDWBFXUAE-UHFFFAOYSA-N -1 1 341.371 2.063 20 0 EEADMM Cc1cc(F)ccc1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2 ZINC001609404180 1351962799 /nfs/dbraw/zinc/96/27/99/1351962799.db2.gz HMWKWEFGHHVLOH-UHFFFAOYSA-N -1 1 325.347 2.013 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609435502 1351975908 /nfs/dbraw/zinc/97/59/08/1351975908.db2.gz VLBWADYRJHBOBM-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609435502 1351975912 /nfs/dbraw/zinc/97/59/12/1351975912.db2.gz VLBWADYRJHBOBM-VIFPVBQESA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CCO1 ZINC001609436057 1351976161 /nfs/dbraw/zinc/97/61/61/1351976161.db2.gz TWTFMJNLQGIMQX-AWEZNQCLSA-N -1 1 342.428 2.205 20 0 EEADMM Cc1ccccc1[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CCO1 ZINC001609436057 1351976162 /nfs/dbraw/zinc/97/61/62/1351976162.db2.gz TWTFMJNLQGIMQX-AWEZNQCLSA-N -1 1 342.428 2.205 20 0 EEADMM Cc1ccccc1C1(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609435311 1351976190 /nfs/dbraw/zinc/97/61/90/1351976190.db2.gz MKPZTQZEBCDRQN-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1ccccc1C1(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC001609435311 1351976192 /nfs/dbraw/zinc/97/61/92/1351976192.db2.gz MKPZTQZEBCDRQN-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ncncc1-c1nn[n-]n1)CC3 ZINC001609428847 1351973135 /nfs/dbraw/zinc/97/31/35/1351973135.db2.gz ZZMGERSSBWVKBX-NSHDSACASA-N -1 1 346.398 2.416 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c1-c1nn[n-]n1 ZINC001609444463 1351980899 /nfs/dbraw/zinc/98/08/99/1351980899.db2.gz DLYXGHHMZLZONP-UHFFFAOYSA-N -1 1 340.322 2.079 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCc1ccccc1F ZINC001609467752 1351988457 /nfs/dbraw/zinc/98/84/57/1351988457.db2.gz SAKMMKUZCSSMSV-UHFFFAOYSA-N -1 1 329.335 2.270 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCc1ccccc1F ZINC001609467752 1351988461 /nfs/dbraw/zinc/98/84/61/1351988461.db2.gz SAKMMKUZCSSMSV-UHFFFAOYSA-N -1 1 329.335 2.270 20 0 EEADMM Clc1nc(N2CCOC3(CCCC3)C2)sc1-c1nnn[n-]1 ZINC001609474492 1351990998 /nfs/dbraw/zinc/99/09/98/1351990998.db2.gz CBOCVWBFNDQQOU-UHFFFAOYSA-N -1 1 326.813 2.126 20 0 EEADMM Clc1nc(N2CCOC3(CCCC3)C2)sc1-c1nn[n-]n1 ZINC001609474492 1351991002 /nfs/dbraw/zinc/99/10/02/1351991002.db2.gz CBOCVWBFNDQQOU-UHFFFAOYSA-N -1 1 326.813 2.126 20 0 EEADMM Fc1ccc(-c2nc(CNc3n[nH]cc3-c3nnn[n-]3)cs2)cc1 ZINC001609489995 1351996066 /nfs/dbraw/zinc/99/60/66/1351996066.db2.gz UQXOTTZOSKDQJY-UHFFFAOYSA-N -1 1 342.363 2.465 20 0 EEADMM Fc1ccc(-c2nc(CNc3n[nH]cc3-c3nn[n-]n3)cs2)cc1 ZINC001609489995 1351996067 /nfs/dbraw/zinc/99/60/67/1351996067.db2.gz UQXOTTZOSKDQJY-UHFFFAOYSA-N -1 1 342.363 2.465 20 0 EEADMM O=C(NCCCOC1CCCCC1)c1csc(-c2nn[n-]n2)c1 ZINC001609547889 1352012568 /nfs/dbraw/zinc/01/25/68/1352012568.db2.gz GZKOGSIBPOYELM-UHFFFAOYSA-N -1 1 335.433 2.397 20 0 EEADMM O=C(c1ccccc1)C1CCN(c2cccnc2-c2nnn[n-]2)CC1 ZINC001609582778 1352026009 /nfs/dbraw/zinc/02/60/09/1352026009.db2.gz GOEALYCNRJCVMX-UHFFFAOYSA-N -1 1 334.383 2.361 20 0 EEADMM O=C(c1ccccc1)C1CCN(c2cccnc2-c2nn[n-]n2)CC1 ZINC001609582778 1352026011 /nfs/dbraw/zinc/02/60/11/1352026011.db2.gz GOEALYCNRJCVMX-UHFFFAOYSA-N -1 1 334.383 2.361 20 0 EEADMM O=C(OCc1ccc(Cl)c(F)c1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609576849 1352023742 /nfs/dbraw/zinc/02/37/42/1352023742.db2.gz ZYAKLYQYXAZAOP-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccc(Cl)c(F)c1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609576849 1352023747 /nfs/dbraw/zinc/02/37/47/1352023747.db2.gz ZYAKLYQYXAZAOP-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM C[C@H](C(=O)[O-])c1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c2O)cc1 ZINC001609642863 1352048857 /nfs/dbraw/zinc/04/88/57/1352048857.db2.gz FYDMWRPGFNLAOB-XVKPBYJWSA-N -1 1 330.262 2.252 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2scnc2C2CC2)CC1 ZINC001609735038 1352072157 /nfs/dbraw/zinc/07/21/57/1352072157.db2.gz HZCSTAGWYJRYMB-JTQLQIEISA-N -1 1 338.433 2.033 20 0 EEADMM C[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001609772400 1352081494 /nfs/dbraw/zinc/08/14/94/1352081494.db2.gz JPHCWZCSMTZCFI-LLVKDONJSA-N -1 1 342.351 2.403 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001609849278 1352100868 /nfs/dbraw/zinc/10/08/68/1352100868.db2.gz BHMHILZGXXNOKL-PQMHSXNQSA-N -1 1 341.354 2.093 20 0 EEADMM C[C@@H]1CCCN1c1nnc(-c2cnc(-c3cccnc3)[n-]c2=O)n1C ZINC001339157283 1336967927 /nfs/dbraw/zinc/96/79/27/1336967927.db2.gz JWJNFUHKSHNTEX-LLVKDONJSA-N -1 1 337.387 2.028 20 0 EEADMM CC[C@@H](C)N(CC)c1nnc(Cc2nnn[n-]2)n1Cc1cccs1 ZINC001344654802 1337407419 /nfs/dbraw/zinc/40/74/19/1337407419.db2.gz OEIOLDVGCFGSOL-LLVKDONJSA-N -1 1 346.464 2.117 20 0 EEADMM CC[C@@H](C)N(CC)c1nnc(Cc2nn[n-]n2)n1Cc1cccs1 ZINC001344654802 1337407422 /nfs/dbraw/zinc/40/74/22/1337407422.db2.gz OEIOLDVGCFGSOL-LLVKDONJSA-N -1 1 346.464 2.117 20 0 EEADMM CCN(C(=O)c1ccc2cncn2c1C)c1ncc(C(=O)[O-])s1 ZINC001609989010 1352135566 /nfs/dbraw/zinc/13/55/66/1352135566.db2.gz VKJDGXCQIGCVKL-UHFFFAOYSA-N -1 1 330.369 2.464 20 0 EEADMM CCN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C[C@H]1CCOC1 ZINC001609994302 1352136770 /nfs/dbraw/zinc/13/67/70/1352136770.db2.gz YEKRGJYNCDTCGF-GFCCVEGCSA-N -1 1 330.384 2.407 20 0 EEADMM O=C(NCCC(F)F)c1ccc(I)cc1[O-] ZINC001348760220 1337573744 /nfs/dbraw/zinc/57/37/44/1337573744.db2.gz ZINYIOJDWLTDMD-UHFFFAOYSA-N -1 1 341.095 2.382 20 0 EEADMM CCc1ncc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001610073002 1352156020 /nfs/dbraw/zinc/15/60/20/1352156020.db2.gz NADSGMKMFRWXSU-UHFFFAOYSA-N -1 1 348.352 2.483 20 0 EEADMM CCn1ccc(CN[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC001610084710 1352158502 /nfs/dbraw/zinc/15/85/02/1352158502.db2.gz IZCFCNQMZVAWQP-LBPRGKRZSA-N -1 1 330.388 2.108 20 0 EEADMM CN(CCc1ccncc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001610119902 1352166636 /nfs/dbraw/zinc/16/66/36/1352166636.db2.gz RDHAGUORRNDYRH-AWEZNQCLSA-N -1 1 345.424 2.121 20 0 EEADMM CN(Cc1ccccc1)C1CN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001610125353 1352167472 /nfs/dbraw/zinc/16/74/72/1352167472.db2.gz APXSGACPYLAHCP-UHFFFAOYSA-N -1 1 338.407 2.270 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C ZINC001610210283 1352186415 /nfs/dbraw/zinc/18/64/15/1352186415.db2.gz IKDKGXPYELYONC-UHFFFAOYSA-N -1 1 349.364 2.281 20 0 EEADMM COc1cc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc(OC)c1O ZINC001610298570 1352201880 /nfs/dbraw/zinc/20/18/80/1352201880.db2.gz ZKQAYMDAGSOHQH-HNNXBMFYSA-N -1 1 333.340 2.031 20 0 EEADMM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001610480202 1352229732 /nfs/dbraw/zinc/22/97/32/1352229732.db2.gz UZPFVJPGXATVSU-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)NCC3(C(=O)[O-])CC3)CC2)cc1 ZINC001610501088 1352234287 /nfs/dbraw/zinc/23/42/87/1352234287.db2.gz WHLPZJQAUDYDMI-UHFFFAOYSA-N -1 1 345.443 2.077 20 0 EEADMM Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)CCC(=O)[O-] ZINC001610537790 1352240999 /nfs/dbraw/zinc/24/09/99/1352240999.db2.gz WHNZUXANPLPFHU-UHFFFAOYSA-N -1 1 343.792 2.051 20 0 EEADMM Cc1[nH]ncc1CNC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610549630 1352243114 /nfs/dbraw/zinc/24/31/14/1352243114.db2.gz STRBZXCSIIRFOR-NSHDSACASA-N -1 1 349.416 2.228 20 0 EEADMM Cc1oc(COC(=O)c2cccc(-c3nnc[nH]3)c2)cc1C(=O)[O-] ZINC001610584469 1352249147 /nfs/dbraw/zinc/24/91/47/1352249147.db2.gz YIEPNIAZUKZWHK-UHFFFAOYSA-N -1 1 327.296 2.428 20 0 EEADMM O=C([O-])[C@H]1CSCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC001610748338 1352268161 /nfs/dbraw/zinc/26/81/61/1352268161.db2.gz DZWBOGVIMDNDTG-ZWNOBZJWSA-N -1 1 349.374 2.488 20 0 EEADMM Cc1nc(NC(=O)c2ccc(F)c([O-])c2)sc1SCC(N)=O ZINC001433607825 1341636621 /nfs/dbraw/zinc/63/66/21/1341636621.db2.gz UESCTKILOIVXSF-UHFFFAOYSA-N -1 1 341.389 2.126 20 0 EEADMM O=C(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)OC1CCCCC1 ZINC001433939616 1341725825 /nfs/dbraw/zinc/72/58/25/1341725825.db2.gz WBLSAIRPDBXZEJ-UHFFFAOYSA-N -1 1 333.388 2.055 20 0 EEADMM COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(C)ns1 ZINC001434561177 1341873981 /nfs/dbraw/zinc/87/39/81/1341873981.db2.gz BIWWHGBAMBYKGH-GFCCVEGCSA-N -1 1 346.474 2.242 20 0 EEADMM CCc1nc(CNC(=O)CCc2c(C)nc(SC)[n-]c2=O)co1 ZINC001436282626 1342017564 /nfs/dbraw/zinc/01/75/64/1342017564.db2.gz JNEXOPPXZQFMSE-UHFFFAOYSA-N -1 1 336.417 2.012 20 0 EEADMM CC(C)Oc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574339082 1343673464 /nfs/dbraw/zinc/67/34/64/1343673464.db2.gz ATCMEGYRWVOFRT-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155837 1344096406 /nfs/dbraw/zinc/09/64/06/1344096406.db2.gz GRWQPWPJMKCZAT-MNOVXSKESA-N -1 1 345.407 2.218 20 0 EEADMM CCC[C@H]1CCCC[C@H]1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577392236 1344139895 /nfs/dbraw/zinc/13/98/95/1344139895.db2.gz GZOUWGPWYLDFLM-WCQYABFASA-N -1 1 344.419 2.364 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC[C@H]1CCCC(C)(C)C1 ZINC001580602144 1344541722 /nfs/dbraw/zinc/54/17/22/1344541722.db2.gz DMKBQUOMMCYDTJ-NSHDSACASA-N -1 1 344.419 2.222 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cnc1C(F)F ZINC001580985240 1344579677 /nfs/dbraw/zinc/57/96/77/1344579677.db2.gz UNMOWXQWHMHQKY-UHFFFAOYSA-N -1 1 331.286 2.155 20 0 EEADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cnc1C(F)F ZINC001580985240 1344579679 /nfs/dbraw/zinc/57/96/79/1344579679.db2.gz UNMOWXQWHMHQKY-UHFFFAOYSA-N -1 1 331.286 2.155 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)CO2 ZINC001581214985 1344599261 /nfs/dbraw/zinc/59/92/61/1344599261.db2.gz PQBAUGVIXHFKGD-LLVKDONJSA-N -1 1 327.369 2.100 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)CO2 ZINC001581214985 1344599263 /nfs/dbraw/zinc/59/92/63/1344599263.db2.gz PQBAUGVIXHFKGD-LLVKDONJSA-N -1 1 327.369 2.100 20 0 EEADMM Cc1cccc(COc2cnc(-c3nn[n-]n3)nc2)c1Br ZINC001581240368 1344605065 /nfs/dbraw/zinc/60/50/65/1344605065.db2.gz DPSPPJHVRLSIKV-UHFFFAOYSA-N -1 1 347.176 2.307 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)CC2(C)CC2)c1-c1nn[n-]n1 ZINC001581714577 1344658114 /nfs/dbraw/zinc/65/81/14/1344658114.db2.gz BAZFLUBSMKLZTP-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)Nc1cc([O-])c(F)cc1F ZINC001582146647 1344706378 /nfs/dbraw/zinc/70/63/78/1344706378.db2.gz BGZWXGLUZBBYGG-UHFFFAOYSA-N -1 1 331.282 2.032 20 0 EEADMM O=C(NCc1ccc2occc2c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582552484 1344761746 /nfs/dbraw/zinc/76/17/46/1344761746.db2.gz QUHICKUKTVHIOU-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM O=C(NCc1ccc2occc2c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582552484 1344761750 /nfs/dbraw/zinc/76/17/50/1344761750.db2.gz QUHICKUKTVHIOU-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc([O-])c2F)n1 ZINC001586164372 1348844735 /nfs/dbraw/zinc/84/47/35/1348844735.db2.gz PHVMMZVCNZCKKS-UHFFFAOYSA-N -1 1 340.314 2.068 20 0 EEADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588873363 1348939871 /nfs/dbraw/zinc/93/98/71/1348939871.db2.gz OTLJYXAMAJDQCT-UHFFFAOYSA-N -1 1 346.734 2.324 20 0 EEADMM CC(C)C(C)(C)CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001589425579 1348989881 /nfs/dbraw/zinc/98/98/81/1348989881.db2.gz VFTGJACMQBJPII-UHFFFAOYSA-N -1 1 343.478 2.030 20 0 EEADMM CC(C)Oc1ccccc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589758031 1349030889 /nfs/dbraw/zinc/03/08/89/1349030889.db2.gz AFXZIDMXZGECCA-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1ccccc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589758031 1349030892 /nfs/dbraw/zinc/03/08/92/1349030892.db2.gz AFXZIDMXZGECCA-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001589758399 1349030923 /nfs/dbraw/zinc/03/09/23/1349030923.db2.gz JQQFJKGDMHJICB-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001589758399 1349030925 /nfs/dbraw/zinc/03/09/25/1349030925.db2.gz JQQFJKGDMHJICB-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)c1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)cn1 ZINC001589767116 1349033407 /nfs/dbraw/zinc/03/34/07/1349033407.db2.gz OLAXYOJORSLAKT-UHFFFAOYSA-N -1 1 334.343 2.497 20 0 EEADMM CC(C)c1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)cn1 ZINC001589767116 1349033410 /nfs/dbraw/zinc/03/34/10/1349033410.db2.gz OLAXYOJORSLAKT-UHFFFAOYSA-N -1 1 334.343 2.497 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(-n2ccnc2)cc1 ZINC001589944541 1349073154 /nfs/dbraw/zinc/07/31/54/1349073154.db2.gz NBYKQISMTZALHJ-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(-n2ccnc2)cc1 ZINC001589944541 1349073160 /nfs/dbraw/zinc/07/31/60/1349073160.db2.gz NBYKQISMTZALHJ-NSHDSACASA-N -1 1 349.354 2.136 20 0 EEADMM C/C=C(\C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001590349036 1349277968 /nfs/dbraw/zinc/27/79/68/1349277968.db2.gz URYZFMULMWUGHF-VKJYCEFSSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@H](C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001590368448 1349287942 /nfs/dbraw/zinc/28/79/42/1349287942.db2.gz BXDUXYRKHAKCFX-NSHDSACASA-N -1 1 329.339 2.170 20 0 EEADMM CC[C@](C)(NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590382560 1349296398 /nfs/dbraw/zinc/29/63/98/1349296398.db2.gz OSVBPCFFRCJJIX-SFHVURJKSA-N -1 1 336.399 2.246 20 0 EEADMM CC[C@](C)(NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590382560 1349296403 /nfs/dbraw/zinc/29/64/03/1349296403.db2.gz OSVBPCFFRCJJIX-SFHVURJKSA-N -1 1 336.399 2.246 20 0 EEADMM CC[C@@H](C)c1ccc(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590417204 1349314424 /nfs/dbraw/zinc/31/44/24/1349314424.db2.gz YDJQQZZYYMLWMY-GHMZBOCLSA-N -1 1 341.375 2.138 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC ZINC001590458680 1349335647 /nfs/dbraw/zinc/33/56/47/1349335647.db2.gz CVBRCHAQAJKCQM-ZDUSSCGKSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC ZINC001590458680 1349335654 /nfs/dbraw/zinc/33/56/54/1349335654.db2.gz CVBRCHAQAJKCQM-ZDUSSCGKSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)[C@H](O)c1ccccc1 ZINC001590459443 1349336286 /nfs/dbraw/zinc/33/62/86/1349336286.db2.gz KDNQUERXOMJEBO-TZMCWYRMSA-N -1 1 343.412 2.170 20 0 EEADMM CC[C@H](OCCOc1cnc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590479381 1349351052 /nfs/dbraw/zinc/35/10/52/1349351052.db2.gz XBGPAWJTMOFQQV-AWEZNQCLSA-N -1 1 326.360 2.203 20 0 EEADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001590511652 1349362602 /nfs/dbraw/zinc/36/26/02/1349362602.db2.gz OFGWNLUQWAWOGU-IAQYHMDHSA-N -1 1 345.403 2.496 20 0 EEADMM CCCCC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)oc1C)C(=O)OC ZINC001590590651 1349375940 /nfs/dbraw/zinc/37/59/40/1349375940.db2.gz RBSKUKUONRRSOA-LLVKDONJSA-N -1 1 336.348 2.047 20 0 EEADMM CCCCC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)oc1C)C(=O)OC ZINC001590590651 1349375944 /nfs/dbraw/zinc/37/59/44/1349375944.db2.gz RBSKUKUONRRSOA-LLVKDONJSA-N -1 1 336.348 2.047 20 0 EEADMM CCc1nc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)co1 ZINC001590913568 1349410254 /nfs/dbraw/zinc/41/02/54/1349410254.db2.gz AQRGINRVMRCRKB-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1nc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)co1 ZINC001590913568 1349410259 /nfs/dbraw/zinc/41/02/59/1349410259.db2.gz AQRGINRVMRCRKB-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1nc(NCc2nc(C)c3ccccc3n2)cc(-c2nnn[n-]2)n1 ZINC001590922867 1349414246 /nfs/dbraw/zinc/41/42/46/1349414246.db2.gz UXEGMOPFLDBAJZ-UHFFFAOYSA-N -1 1 347.386 2.083 20 0 EEADMM CCc1nc(NCc2nc(C)c3ccccc3n2)cc(-c2nn[n-]n2)n1 ZINC001590922867 1349414252 /nfs/dbraw/zinc/41/42/52/1349414252.db2.gz UXEGMOPFLDBAJZ-UHFFFAOYSA-N -1 1 347.386 2.083 20 0 EEADMM CCc1nc(NCc2ccc(OC)cc2C)cc(-c2nnn[n-]2)n1 ZINC001590923098 1349415030 /nfs/dbraw/zinc/41/50/30/1349415030.db2.gz QACAESMDCASRAL-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CCc1nc(NCc2ccc(OC)cc2C)cc(-c2nn[n-]n2)n1 ZINC001590923098 1349415034 /nfs/dbraw/zinc/41/50/34/1349415034.db2.gz QACAESMDCASRAL-UHFFFAOYSA-N -1 1 325.376 2.148 20 0 EEADMM CN(Cc1nc2ccccc2s1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001591152999 1349442056 /nfs/dbraw/zinc/44/20/56/1349442056.db2.gz ONVQYICHPYLYRQ-UHFFFAOYSA-N -1 1 340.368 2.342 20 0 EEADMM CN(Cc1nc2ccccc2s1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001591152999 1349442066 /nfs/dbraw/zinc/44/20/66/1349442066.db2.gz ONVQYICHPYLYRQ-UHFFFAOYSA-N -1 1 340.368 2.342 20 0 EEADMM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591625951 1349518761 /nfs/dbraw/zinc/51/87/61/1349518761.db2.gz DQZRQRWWQQOBCF-LLVKDONJSA-N -1 1 342.384 2.000 20 0 EEADMM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591625951 1349518767 /nfs/dbraw/zinc/51/87/67/1349518767.db2.gz DQZRQRWWQQOBCF-LLVKDONJSA-N -1 1 342.384 2.000 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001591990807 1349578498 /nfs/dbraw/zinc/57/84/98/1349578498.db2.gz HPJAKFPHQAYKRU-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001591990807 1349578526 /nfs/dbraw/zinc/57/85/26/1349578526.db2.gz HPJAKFPHQAYKRU-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc2ccccc2nc1C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001592071911 1349589073 /nfs/dbraw/zinc/58/90/73/1349589073.db2.gz RIGKLCIPODMDFV-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H]1c1cncc(C)c1 ZINC001592299063 1349617593 /nfs/dbraw/zinc/61/75/93/1349617593.db2.gz PNVFDDZTDCYDGF-AWEZNQCLSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H]1c1cncc(C)c1 ZINC001592299063 1349617597 /nfs/dbraw/zinc/61/75/97/1349617597.db2.gz PNVFDDZTDCYDGF-AWEZNQCLSA-N -1 1 338.371 2.449 20 0 EEADMM Cc1ncc(C=CC(=O)Nc2snc(C)c2-c2nnn[n-]2)s1 ZINC001592408711 1349628667 /nfs/dbraw/zinc/62/86/67/1349628667.db2.gz ZLNXAWAEAZVNAO-ONEGZZNKSA-N -1 1 333.402 2.048 20 0 EEADMM Cc1ncc(C=CC(=O)Nc2snc(C)c2-c2nn[n-]n2)s1 ZINC001592408711 1349628669 /nfs/dbraw/zinc/62/86/69/1349628669.db2.gz ZLNXAWAEAZVNAO-ONEGZZNKSA-N -1 1 333.402 2.048 20 0 EEADMM Cc1nsc(N2CCC=C(c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001592475227 1349634784 /nfs/dbraw/zinc/63/47/84/1349634784.db2.gz VIOHBGUMIHBVEI-UHFFFAOYSA-N -1 1 325.401 2.320 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc3[nH]ccc32)c1-c1nnn[n-]1 ZINC001592467741 1349634836 /nfs/dbraw/zinc/63/48/36/1349634836.db2.gz GATCEBWTBKAPNB-UHFFFAOYSA-N -1 1 339.384 2.390 20 0 EEADMM Cc1nsc(N(C)C(=O)c2cccc3[nH]ccc32)c1-c1nn[n-]n1 ZINC001592467741 1349634837 /nfs/dbraw/zinc/63/48/37/1349634837.db2.gz GATCEBWTBKAPNB-UHFFFAOYSA-N -1 1 339.384 2.390 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc(CC(C)C)[nH]n2)c1-c1nnn[n-]1 ZINC001592483339 1349636192 /nfs/dbraw/zinc/63/61/92/1349636192.db2.gz JWCVNPAZDZNJJR-UHFFFAOYSA-N -1 1 347.408 2.197 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc(CC(C)C)[nH]n2)c1-c1nn[n-]n1 ZINC001592483339 1349636198 /nfs/dbraw/zinc/63/61/98/1349636198.db2.gz JWCVNPAZDZNJJR-UHFFFAOYSA-N -1 1 347.408 2.197 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001592502612 1349639972 /nfs/dbraw/zinc/63/99/72/1349639972.db2.gz NXICKOAABSFHMT-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H]1CCC(F)(F)C1 ZINC001592502612 1349639974 /nfs/dbraw/zinc/63/99/74/1349639974.db2.gz NXICKOAABSFHMT-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nccs1 ZINC001592507137 1349643195 /nfs/dbraw/zinc/64/31/95/1349643195.db2.gz YJVNBZACAGSXRZ-UHFFFAOYSA-N -1 1 341.356 2.268 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nccs1 ZINC001592507137 1349643198 /nfs/dbraw/zinc/64/31/98/1349643198.db2.gz YJVNBZACAGSXRZ-UHFFFAOYSA-N -1 1 341.356 2.268 20 0 EEADMM Cc1onc(CC(=O)NC[C@@H]2CCCC(C)(C)C2)c1-c1nnn[n-]1 ZINC001592517351 1349644413 /nfs/dbraw/zinc/64/44/13/1349644413.db2.gz HUXYWGJHGMKFSZ-LLVKDONJSA-N -1 1 332.408 2.038 20 0 EEADMM Cc1onc(CC(=O)NC[C@@H]2CCCC(C)(C)C2)c1-c1nn[n-]n1 ZINC001592517351 1349644414 /nfs/dbraw/zinc/64/44/14/1349644414.db2.gz HUXYWGJHGMKFSZ-LLVKDONJSA-N -1 1 332.408 2.038 20 0 EEADMM ClC1(Cl)C[C@@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592524016 1349646248 /nfs/dbraw/zinc/64/62/48/1349646248.db2.gz LRTOWUCTKCWOPJ-SSDOTTSWSA-N -1 1 326.191 2.140 20 0 EEADMM ClC1(Cl)C[C@@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592524016 1349646249 /nfs/dbraw/zinc/64/62/49/1349646249.db2.gz LRTOWUCTKCWOPJ-SSDOTTSWSA-N -1 1 326.191 2.140 20 0 EEADMM Clc1ccc(N2CC[C@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001592531941 1349649239 /nfs/dbraw/zinc/64/92/39/1349649239.db2.gz BOILWCWTTXXZDU-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc(N2CC[C@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001592531941 1349649240 /nfs/dbraw/zinc/64/92/40/1349649240.db2.gz BOILWCWTTXXZDU-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@H]21 ZINC001592535607 1349650408 /nfs/dbraw/zinc/65/04/08/1349650408.db2.gz ILCCHSWNMYEJBM-CUOATXAZSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@H]21 ZINC001592535607 1349650409 /nfs/dbraw/zinc/65/04/09/1349650409.db2.gz ILCCHSWNMYEJBM-CUOATXAZSA-N -1 1 325.763 2.060 20 0 EEADMM FC(F)(F)COc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001592614772 1349671807 /nfs/dbraw/zinc/67/18/07/1349671807.db2.gz IJTNGGCRHWHFMJ-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM FC(F)(F)COc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001592614772 1349671812 /nfs/dbraw/zinc/67/18/12/1349671812.db2.gz IJTNGGCRHWHFMJ-UHFFFAOYSA-N -1 1 337.265 2.341 20 0 EEADMM Fc1ccc(CC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001592649163 1349694734 /nfs/dbraw/zinc/69/47/34/1349694734.db2.gz VRNVJGJGQKSHTG-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccc(CC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001592649163 1349694738 /nfs/dbraw/zinc/69/47/38/1349694738.db2.gz VRNVJGJGQKSHTG-UHFFFAOYSA-N -1 1 339.378 2.255 20 0 EEADMM Fc1ccc(OCc2cncc(C(F)(F)F)c2)c(-c2nnn[n-]2)n1 ZINC001592652910 1349696773 /nfs/dbraw/zinc/69/67/73/1349696773.db2.gz ZYAGOQOXVFPCLJ-UHFFFAOYSA-N -1 1 340.240 2.394 20 0 EEADMM Fc1ccc(OCc2cncc(C(F)(F)F)c2)c(-c2nn[n-]n2)n1 ZINC001592652910 1349696780 /nfs/dbraw/zinc/69/67/80/1349696780.db2.gz ZYAGOQOXVFPCLJ-UHFFFAOYSA-N -1 1 340.240 2.394 20 0 EEADMM Fc1ccc2c(c1)OCCN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001592654406 1349698346 /nfs/dbraw/zinc/69/83/46/1349698346.db2.gz IEOINBDUHBNIPW-UHFFFAOYSA-N -1 1 346.753 2.453 20 0 EEADMM Fc1ccc2c(c1)OCCN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001592654406 1349698353 /nfs/dbraw/zinc/69/83/53/1349698353.db2.gz IEOINBDUHBNIPW-UHFFFAOYSA-N -1 1 346.753 2.453 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001592884110 1349721816 /nfs/dbraw/zinc/72/18/16/1349721816.db2.gz TZYWUDCPRZAYQA-UHFFFAOYSA-N -1 1 326.287 2.046 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001592884110 1349721819 /nfs/dbraw/zinc/72/18/19/1349721819.db2.gz TZYWUDCPRZAYQA-UHFFFAOYSA-N -1 1 326.287 2.046 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593180697 1349745009 /nfs/dbraw/zinc/74/50/09/1349745009.db2.gz INUVHLJARRCSBO-GXSJLCMTSA-N -1 1 346.803 2.263 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001593255052 1349752022 /nfs/dbraw/zinc/75/20/22/1349752022.db2.gz BZBQFSNTXREHRT-NEPJUHHUSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001593255052 1349752027 /nfs/dbraw/zinc/75/20/27/1349752027.db2.gz BZBQFSNTXREHRT-NEPJUHHUSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1sccc1-c1nn[n-]n1 ZINC001593308269 1349776128 /nfs/dbraw/zinc/77/61/28/1349776128.db2.gz VOBPOQAZKCQNPF-LJGSYFOKSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC001593309464 1349777448 /nfs/dbraw/zinc/77/74/48/1349777448.db2.gz HJQMKTJTFLVWQK-UHFFFAOYSA-N -1 1 336.286 2.168 20 0 EEADMM O=C(Oc1cnc2ccc(F)cc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001593309464 1349777451 /nfs/dbraw/zinc/77/74/51/1349777451.db2.gz HJQMKTJTFLVWQK-UHFFFAOYSA-N -1 1 336.286 2.168 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCCc2c(F)ccc(F)c21 ZINC001593348842 1349788061 /nfs/dbraw/zinc/78/80/61/1349788061.db2.gz RPKDWDSJJGVZRK-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCCc2c(F)ccc(F)c21 ZINC001593348842 1349788062 /nfs/dbraw/zinc/78/80/62/1349788062.db2.gz RPKDWDSJJGVZRK-UHFFFAOYSA-N -1 1 342.309 2.133 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC=C(c2ccccc2)C1 ZINC001593358859 1349789583 /nfs/dbraw/zinc/78/95/83/1349789583.db2.gz QWEZVFZJEMTWMA-UHFFFAOYSA-N -1 1 332.367 2.191 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC=C(c2ccccc2)C1 ZINC001593358859 1349789584 /nfs/dbraw/zinc/78/95/84/1349789584.db2.gz QWEZVFZJEMTWMA-UHFFFAOYSA-N -1 1 332.367 2.191 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1c1ccccc1 ZINC001593370218 1349791665 /nfs/dbraw/zinc/79/16/65/1349791665.db2.gz NTRGYWZPGGABIB-CYBMUJFWSA-N -1 1 341.396 2.142 20 0 EEADMM O=C1CCN1c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001593394707 1349797216 /nfs/dbraw/zinc/79/72/16/1349797216.db2.gz WOHPWMBMOXERAK-UHFFFAOYSA-N -1 1 326.385 2.277 20 0 EEADMM O=Cc1cc(Oc2nnccc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC001593415186 1349798318 /nfs/dbraw/zinc/79/83/18/1349798318.db2.gz AQWBWUDCMLDEEB-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=Cc1cc(Oc2nnccc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001593415186 1349798322 /nfs/dbraw/zinc/79/83/22/1349798322.db2.gz AQWBWUDCMLDEEB-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCc1ccsc1)CCC2 ZINC001593491866 1349817562 /nfs/dbraw/zinc/81/75/62/1349817562.db2.gz AIBGMOCYPVGPQL-UHFFFAOYSA-N -1 1 327.413 2.211 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CC[C@H]2CCCO2)c2ccc(Cl)cc12 ZINC001593495284 1349819746 /nfs/dbraw/zinc/81/97/46/1349819746.db2.gz SYGHHXZQJGNLGX-LLVKDONJSA-N -1 1 345.790 2.404 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1CCC1SCCS1 ZINC001593495228 1349819816 /nfs/dbraw/zinc/81/98/16/1349819816.db2.gz YPZQMLACZXDMBT-UHFFFAOYSA-N -1 1 345.453 2.378 20 0 EEADMM c1nn(-c2ccccc2)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593569728 1349854749 /nfs/dbraw/zinc/85/47/49/1349854749.db2.gz VERNCPMTEIJZJP-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM c1nn(-c2ccccc2)cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001593569728 1349854755 /nfs/dbraw/zinc/85/47/55/1349854755.db2.gz VERNCPMTEIJZJP-UHFFFAOYSA-N -1 1 347.386 2.265 20 0 EEADMM c1ccc(COc2cccc(Nc3ncncc3-c3nn[n-]n3)c2)nc1 ZINC001593575154 1349858155 /nfs/dbraw/zinc/85/81/55/1349858155.db2.gz QWBSQDVGLDRYCK-UHFFFAOYSA-N -1 1 346.354 2.374 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1noc2c1CCCC2 ZINC001593579757 1349860531 /nfs/dbraw/zinc/86/05/31/1349860531.db2.gz DVCRKQVCYBICOC-UHFFFAOYSA-N -1 1 348.370 2.289 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1noc2c1CCCC2 ZINC001593579757 1349860535 /nfs/dbraw/zinc/86/05/35/1349860535.db2.gz DVCRKQVCYBICOC-UHFFFAOYSA-N -1 1 348.370 2.289 20 0 EEADMM c1cc(-c2nc([C@@H]3CCOc4ccccc43)no2)oc1-c1nn[n-]n1 ZINC001593579665 1349860592 /nfs/dbraw/zinc/86/05/92/1349860592.db2.gz NFTUQRXFALDUHX-SNVBAGLBSA-N -1 1 336.311 2.424 20 0 EEADMM CCC(CC)(NCC(=O)N(C)c1nc2ccccc2s1)C(=O)[O-] ZINC001595097837 1349881117 /nfs/dbraw/zinc/88/11/17/1349881117.db2.gz JVPFMJDBQXTACF-UHFFFAOYSA-N -1 1 335.429 2.492 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC001596468072 1349907087 /nfs/dbraw/zinc/90/70/87/1349907087.db2.gz FNPYGDHIZABPEK-UHFFFAOYSA-N -1 1 328.303 2.373 20 0 EEADMM Cc1cc(C)c2c(c1)CCN([C@@H]1CCCN(CCC(=O)[O-])C1=O)C2 ZINC001600164545 1349983879 /nfs/dbraw/zinc/98/38/79/1349983879.db2.gz GFZYCIYUFZUAPO-QGZVFWFLSA-N -1 1 330.428 2.127 20 0 EEADMM Cc1cc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)on1 ZINC001600256618 1350003449 /nfs/dbraw/zinc/00/34/49/1350003449.db2.gz XSKGJVMGZSDDNF-INIZCTEOSA-N -1 1 335.335 2.040 20 0 EEADMM Cc1cc(NC[C@H]2[C@H](C(=O)[O-])C2(F)F)ccc1N1CCN(C)CC1 ZINC001600281611 1350010230 /nfs/dbraw/zinc/01/02/30/1350010230.db2.gz WUTQAQUCXUWMGJ-DZGCQCFKSA-N -1 1 339.386 2.125 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)/C=C\C(=O)[O-])n2)cc1 ZINC001600320031 1350019468 /nfs/dbraw/zinc/01/94/68/1350019468.db2.gz PTZNZMLXDNXNSI-OFSNVTPPSA-N -1 1 346.412 2.018 20 0 EEADMM Cc1ccc(CNCc2ccc(C(=O)[O-])n2C)c(N2CCCC2)n1 ZINC001600419482 1350046965 /nfs/dbraw/zinc/04/69/65/1350046965.db2.gz JKPHFZXZIOEZNY-UHFFFAOYSA-N -1 1 328.416 2.317 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001600445895 1350053700 /nfs/dbraw/zinc/05/37/00/1350053700.db2.gz PSWYHZGMHNCUBW-ZOWXZIJZSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc(NC2CC2)c(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC001600458843 1350057546 /nfs/dbraw/zinc/05/75/46/1350057546.db2.gz BEVGSLFXHQYSGA-AWEZNQCLSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1ccc2c(c1)CCN([C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC001600496337 1350065652 /nfs/dbraw/zinc/06/56/52/1350065652.db2.gz JBKCCQUQUQRRQS-CQSZACIVSA-N -1 1 330.428 2.065 20 0 EEADMM Cc1ccc2c([n-]cc(C(=O)NCc3ccccc3C(=O)[O-])c2=O)[nH+]1 ZINC001600494223 1350065724 /nfs/dbraw/zinc/06/57/24/1350065724.db2.gz WGGLWGRQAOLXLQ-UHFFFAOYSA-N -1 1 337.335 2.272 20 0 EEADMM Cc1ccc2nc(NC(=O)CN3CC4CC3(C(=O)[O-])C4)sc2c1 ZINC001600502452 1350067878 /nfs/dbraw/zinc/06/78/78/1350067878.db2.gz LELOYFIXKUXJFZ-UHFFFAOYSA-N -1 1 331.397 2.092 20 0 EEADMM Cc1ccccc1C[C@H](C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001600575865 1350086759 /nfs/dbraw/zinc/08/67/59/1350086759.db2.gz SFHKFTDCSHNWQK-HOTGVXAUSA-N -1 1 332.444 2.181 20 0 EEADMM Cc1ccccc1C1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])CCCC1 ZINC001600573761 1350087165 /nfs/dbraw/zinc/08/71/65/1350087165.db2.gz LPEZWKNBSNVTTA-MRXNPFEDSA-N -1 1 341.411 2.342 20 0 EEADMM Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2[nH+]1 ZINC001600613251 1350097756 /nfs/dbraw/zinc/09/77/56/1350097756.db2.gz CWRJRARYEFFNOG-UHFFFAOYSA-N -1 1 335.341 2.043 20 0 EEADMM Cc1n[nH]c(Br)c1C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001600667370 1350113280 /nfs/dbraw/zinc/11/32/80/1350113280.db2.gz CILCJUKKZBTAPI-QMMMGPOBSA-N -1 1 332.198 2.052 20 0 EEADMM Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001600666947 1350113554 /nfs/dbraw/zinc/11/35/54/1350113554.db2.gz KLNYVNXITPYWCW-CYBMUJFWSA-N -1 1 331.372 2.104 20 0 EEADMM Cc1nn[nH]c1C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001600675461 1350114772 /nfs/dbraw/zinc/11/47/72/1350114772.db2.gz AOZDCDLSFZFUPJ-NSHDSACASA-N -1 1 343.170 2.318 20 0 EEADMM Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001600679267 1350115805 /nfs/dbraw/zinc/11/58/05/1350115805.db2.gz WEWLBVDASJPHOM-JQWIXIFHSA-N -1 1 347.440 2.358 20 0 EEADMM Cc1nc2ccc(CN3CC[C@H](n4cc(C(=O)[O-])nn4)C3)cc2s1 ZINC001600727874 1350122585 /nfs/dbraw/zinc/12/25/85/1350122585.db2.gz PZWQHILPSQWPLS-LBPRGKRZSA-N -1 1 343.412 2.341 20 0 EEADMM NC(=O)[C@H](F)C1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001601137789 1350219555 /nfs/dbraw/zinc/21/95/55/1350219555.db2.gz CTBUBSHXUWKDOQ-CYBMUJFWSA-N -1 1 328.771 2.074 20 0 EEADMM Nc1n[nH]c(C2CCN(Cc3cccc(C(=O)[O-])c3Cl)CC2)n1 ZINC001601223011 1350235689 /nfs/dbraw/zinc/23/56/89/1350235689.db2.gz SHZPANGUVXLFBG-UHFFFAOYSA-N -1 1 335.795 2.118 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)OC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001601660387 1350330685 /nfs/dbraw/zinc/33/06/85/1350330685.db2.gz UVULOYUKJIXVGT-IUODEOHRSA-N -1 1 332.331 2.208 20 0 EEADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](c2nn[nH]n2)C1 ZINC001601692330 1350340026 /nfs/dbraw/zinc/34/00/26/1350340026.db2.gz ZSHPUMZVXBMRKJ-KWQFWETISA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@H](c1cccnc1)N1CCC(Oc2ncccc2F)CC1 ZINC001601698918 1350341838 /nfs/dbraw/zinc/34/18/38/1350341838.db2.gz SAZQTEZACWSGLW-HNNXBMFYSA-N -1 1 331.347 2.285 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CCN(c3ccc4ccccc4n3)CC2)C1(F)F ZINC001601750223 1350355707 /nfs/dbraw/zinc/35/57/07/1350355707.db2.gz RBQBVQFJHWTHRR-CJNGLKHVSA-N -1 1 347.365 2.323 20 0 EEADMM O=C([O-])CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001601886992 1350391055 /nfs/dbraw/zinc/39/10/55/1350391055.db2.gz VHWVDSPZESBKIS-UHFFFAOYSA-N -1 1 344.333 2.214 20 0 EEADMM O=C([O-])CCNC(=O)c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC001602024365 1350420658 /nfs/dbraw/zinc/42/06/58/1350420658.db2.gz NFRLZLQSXJUUMR-UHFFFAOYSA-N -1 1 338.367 2.380 20 0 EEADMM O=C([O-])CCSCCNC(=O)c1cccc(Br)c1O ZINC001602029396 1350421671 /nfs/dbraw/zinc/42/16/71/1350421671.db2.gz HFCBOFGYOPISCN-UHFFFAOYSA-N -1 1 348.218 2.092 20 0 EEADMM O=C([O-])CN(CCC(F)(F)F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001602053907 1350428500 /nfs/dbraw/zinc/42/85/00/1350428500.db2.gz USVHUHCHNRVCCG-GFCCVEGCSA-N -1 1 346.305 2.351 20 0 EEADMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccc(C3CC3)cn2)c1 ZINC001602143373 1350449734 /nfs/dbraw/zinc/44/97/34/1350449734.db2.gz QIHWRODGROSMGS-UHFFFAOYSA-N -1 1 332.381 2.387 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC001602201725 1350464279 /nfs/dbraw/zinc/46/42/79/1350464279.db2.gz ZRWVGLITXXLBAW-DLBZAZTESA-N -1 1 343.427 2.434 20 0 EEADMM O=C([O-])c1cc(C2CCN(C(=O)c3c(O)cccc3F)CC2)no1 ZINC001602250496 1350476580 /nfs/dbraw/zinc/47/65/80/1350476580.db2.gz TUPOMGOIBQXAAO-UHFFFAOYSA-N -1 1 334.303 2.237 20 0 EEADMM O=C([O-])c1cccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)n1 ZINC001602432493 1350518525 /nfs/dbraw/zinc/51/85/25/1350518525.db2.gz OPQLEZKBCRDLTB-HNNXBMFYSA-N -1 1 345.786 2.220 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1cccs1 ZINC001602900563 1350601895 /nfs/dbraw/zinc/60/18/95/1350601895.db2.gz JBMQIHKTMHIRSA-FPLPWBNLSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1cccs1 ZINC001602900563 1350601896 /nfs/dbraw/zinc/60/18/96/1350601896.db2.gz JBMQIHKTMHIRSA-FPLPWBNLSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=O)c1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1C ZINC001603111300 1350643081 /nfs/dbraw/zinc/64/30/81/1350643081.db2.gz BGNXTRSOBRFLMC-ZDUSSCGKSA-N -1 1 347.415 2.210 20 0 EEADMM CC(C)[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)C1(CO)CC=CC1 ZINC001603228180 1350665359 /nfs/dbraw/zinc/66/53/59/1350665359.db2.gz AWBRXJBBHCGRFB-CYBMUJFWSA-N -1 1 347.444 2.011 20 0 EEADMM CC(C)(C)N1CC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001603345026 1350692051 /nfs/dbraw/zinc/69/20/51/1350692051.db2.gz ZVKODLVJFXPDFM-HOTGVXAUSA-N -1 1 343.427 2.153 20 0 EEADMM CC(C)(C)OC(=O)c1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)n[nH]1 ZINC001603501428 1350713853 /nfs/dbraw/zinc/71/38/53/1350713853.db2.gz NAPZUTPBFNYOLW-UHFFFAOYSA-N -1 1 349.387 2.339 20 0 EEADMM CC(C)(C)[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)C(=O)[O-] ZINC001603529633 1350716837 /nfs/dbraw/zinc/71/68/37/1350716837.db2.gz XTBSMUPBHKICAQ-GFCCVEGCSA-N -1 1 325.434 2.049 20 0 EEADMM C[C@@H](CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C[C@H](C)O ZINC001603696520 1350744022 /nfs/dbraw/zinc/74/40/22/1350744022.db2.gz TUBSZBMUDVVYHO-SFYZADRCSA-N -1 1 330.314 2.099 20 0 EEADMM C[C@@H](CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C[C@H](C)O ZINC001603696520 1350744025 /nfs/dbraw/zinc/74/40/25/1350744025.db2.gz TUBSZBMUDVVYHO-SFYZADRCSA-N -1 1 330.314 2.099 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nnn[n-]2)[C@@H]1[C@@H]1CCCO1 ZINC001603788688 1350768430 /nfs/dbraw/zinc/76/84/30/1350768430.db2.gz APNCVPNIARLSQF-IONNQARKSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2snc(Cl)c2-c2nn[n-]n2)[C@@H]1[C@@H]1CCCO1 ZINC001603788688 1350768431 /nfs/dbraw/zinc/76/84/31/1350768431.db2.gz APNCVPNIARLSQF-IONNQARKSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccnc(-c4nnn[n-]4)c3)C2)C1 ZINC001603882369 1350791702 /nfs/dbraw/zinc/79/17/02/1350791702.db2.gz VLGQJQDDLQRPMG-MEDUHNTESA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccnc(-c4nn[n-]n4)c3)C2)C1 ZINC001603882369 1350791705 /nfs/dbraw/zinc/79/17/05/1350791705.db2.gz VLGQJQDDLQRPMG-MEDUHNTESA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CC2(CCC2)O1 ZINC001603944559 1350809571 /nfs/dbraw/zinc/80/95/71/1350809571.db2.gz CMQBECNYTTVZIT-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CC2(CCC2)O1 ZINC001603944559 1350809578 /nfs/dbraw/zinc/80/95/78/1350809578.db2.gz CMQBECNYTTVZIT-ZETCQYMHSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001603955975 1350813060 /nfs/dbraw/zinc/81/30/60/1350813060.db2.gz NQXYXZRMXBZLQC-VIFPVBQESA-N -1 1 327.319 2.358 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001603955975 1350813063 /nfs/dbraw/zinc/81/30/63/1350813063.db2.gz NQXYXZRMXBZLQC-VIFPVBQESA-N -1 1 327.319 2.358 20 0 EEADMM CC[C@H](C(=O)OCc1cccnc1-c1nnn[n-]1)c1c(C)noc1C ZINC001603980111 1350818424 /nfs/dbraw/zinc/81/84/24/1350818424.db2.gz LJFLUWNEZHUUBL-LBPRGKRZSA-N -1 1 342.359 2.104 20 0 EEADMM CC[C@H](C(=O)OCc1cccnc1-c1nn[n-]n1)c1c(C)noc1C ZINC001603980111 1350818427 /nfs/dbraw/zinc/81/84/27/1350818427.db2.gz LJFLUWNEZHUUBL-LBPRGKRZSA-N -1 1 342.359 2.104 20 0 EEADMM CC[C@H](F)C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001604046143 1350838145 /nfs/dbraw/zinc/83/81/45/1350838145.db2.gz QKZKLNCNJWEXHI-NSHDSACASA-N -1 1 329.339 2.047 20 0 EEADMM CC[C@H](F)C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001604046143 1350838147 /nfs/dbraw/zinc/83/81/47/1350838147.db2.gz QKZKLNCNJWEXHI-NSHDSACASA-N -1 1 329.339 2.047 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H]1CCCCO1 ZINC001604063350 1350844170 /nfs/dbraw/zinc/84/41/70/1350844170.db2.gz DCTNENITXPVSCA-YPMHNXCESA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H]1CCCCO1 ZINC001604063350 1350844175 /nfs/dbraw/zinc/84/41/75/1350844175.db2.gz DCTNENITXPVSCA-YPMHNXCESA-N -1 1 329.408 2.294 20 0 EEADMM CC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(C)=O ZINC001604067004 1350846079 /nfs/dbraw/zinc/84/60/79/1350846079.db2.gz QRXTZXCWQTXSAN-NSHDSACASA-N -1 1 343.343 2.083 20 0 EEADMM CC[C@H](OC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(C)=O ZINC001604067004 1350846082 /nfs/dbraw/zinc/84/60/82/1350846082.db2.gz QRXTZXCWQTXSAN-NSHDSACASA-N -1 1 343.343 2.083 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@H](CCO)c1ccco1 ZINC001604073271 1350847284 /nfs/dbraw/zinc/84/72/84/1350847284.db2.gz ZFWUBQOFTSKIIP-SWLSCSKDSA-N -1 1 346.383 2.408 20 0 EEADMM CC[C@@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001604094360 1350854658 /nfs/dbraw/zinc/85/46/58/1350854658.db2.gz XENXYTSQNBYHJW-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM CC[C@@]1(O)CCCN(c2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001604094360 1350854660 /nfs/dbraw/zinc/85/46/60/1350854660.db2.gz XENXYTSQNBYHJW-CYBMUJFWSA-N -1 1 342.325 2.022 20 0 EEADMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604100998 1350856735 /nfs/dbraw/zinc/85/67/35/1350856735.db2.gz PIDLQTNRNDMPGO-ZFWWWQNUSA-N -1 1 328.420 2.231 20 0 EEADMM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604100998 1350856738 /nfs/dbraw/zinc/85/67/38/1350856738.db2.gz PIDLQTNRNDMPGO-ZFWWWQNUSA-N -1 1 328.420 2.231 20 0 EEADMM C[C@](CCF)(NCc1cn(-c2ccc(Cl)cc2)nn1)C(=O)[O-] ZINC001604142702 1350872249 /nfs/dbraw/zinc/87/22/49/1350872249.db2.gz TYPOANDCDCZWRE-CQSZACIVSA-N -1 1 326.759 2.213 20 0 EEADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)NCc1cccs1 ZINC001604324195 1350915544 /nfs/dbraw/zinc/91/55/44/1350915544.db2.gz IEXQXXRTZPBSIO-DOMZBBRYSA-N -1 1 332.425 2.038 20 0 EEADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc(C(=O)[O-])co1 ZINC001604324789 1350915675 /nfs/dbraw/zinc/91/56/75/1350915675.db2.gz KVNQDYFFIARSLL-WFASDCNBSA-N -1 1 330.384 2.328 20 0 EEADMM CCOC(=O)Cc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC001604375256 1350925746 /nfs/dbraw/zinc/92/57/46/1350925746.db2.gz PPCWATBJIQVAPA-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM CCOC(=O)Cc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC001604375256 1350925750 /nfs/dbraw/zinc/92/57/50/1350925750.db2.gz PPCWATBJIQVAPA-UHFFFAOYSA-N -1 1 327.344 2.177 20 0 EEADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604482837 1350947318 /nfs/dbraw/zinc/94/73/18/1350947318.db2.gz LOKMBXZCFPABBP-WPPNPWJKSA-N -1 1 338.161 2.373 20 0 EEADMM CC1(C)C(=O)N(CN2CCCC[C@H]2CC(=O)[O-])[C@@H]1c1ccncc1 ZINC001604505711 1350950719 /nfs/dbraw/zinc/95/07/19/1350950719.db2.gz HJHLCZIWVVWSFL-GOEBONIOSA-N -1 1 331.416 2.278 20 0 EEADMM CCc1cc(O)ccc1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001604517734 1350953181 /nfs/dbraw/zinc/95/31/81/1350953181.db2.gz KTBDWPZQBUNAJO-UHFFFAOYSA-N -1 1 325.332 2.174 20 0 EEADMM CCc1cc(O)ccc1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001604517734 1350953185 /nfs/dbraw/zinc/95/31/85/1350953185.db2.gz KTBDWPZQBUNAJO-UHFFFAOYSA-N -1 1 325.332 2.174 20 0 EEADMM CCc1nc(NCc2ccc(C(C)(C)O)cc2)cc(-c2nnn[n-]2)n1 ZINC001604568038 1350962297 /nfs/dbraw/zinc/96/22/97/1350962297.db2.gz HYXOLXAKKQSTSQ-UHFFFAOYSA-N -1 1 339.403 2.059 20 0 EEADMM CCc1nc(NCc2ccc(C(C)(C)O)cc2)cc(-c2nn[n-]n2)n1 ZINC001604568038 1350962299 /nfs/dbraw/zinc/96/22/99/1350962299.db2.gz HYXOLXAKKQSTSQ-UHFFFAOYSA-N -1 1 339.403 2.059 20 0 EEADMM C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C[C@H](O)c1cccc(Cl)c1 ZINC001604712660 1350989928 /nfs/dbraw/zinc/98/99/28/1350989928.db2.gz UINFABLJOSLPMW-DMHMKPBJSA-N -1 1 339.819 2.468 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001604791419 1351004211 /nfs/dbraw/zinc/00/42/11/1351004211.db2.gz WSZWQCBLCPWECW-WWGRRREGSA-N -1 1 344.402 2.209 20 0 EEADMM CN(Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1cc(F)ccc1[O-] ZINC001604798890 1351008484 /nfs/dbraw/zinc/00/84/84/1351008484.db2.gz MNUIOTXUHGZBSY-UHFFFAOYSA-N -1 1 333.348 2.045 20 0 EEADMM C[C@@H]1CN(Cc2oncc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001604802773 1351009600 /nfs/dbraw/zinc/00/96/00/1351009600.db2.gz NDLCWTJOCGVICY-ZYHUDNBSSA-N -1 1 339.392 2.108 20 0 EEADMM CC[C@H](C)[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949067 1351037429 /nfs/dbraw/zinc/03/74/29/1351037429.db2.gz YCGRXUBBMPUXMK-XNCJUZBTSA-N -1 1 346.352 2.097 20 0 EEADMM CCC[C@@](C)(NCc1nc(N)nc(Nc2ccccc2C)n1)C(=O)[O-] ZINC001605199326 1351101383 /nfs/dbraw/zinc/10/13/83/1351101383.db2.gz KYBOSCWVVHWIMP-QGZVFWFLSA-N -1 1 344.419 2.239 20 0 EEADMM CCCCCC[C@@](O)(CN1CCOc2cc(O)ccc2C1)C(=O)[O-] ZINC001605264553 1351119112 /nfs/dbraw/zinc/11/91/12/1351119112.db2.gz BETRVGMKEYPRPK-GOSISDBHSA-N -1 1 337.416 2.373 20 0 EEADMM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1C ZINC001605305999 1351132100 /nfs/dbraw/zinc/13/21/00/1351132100.db2.gz GRGGJHTWRBKDGE-SNVBAGLBSA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1C ZINC001605305999 1351132104 /nfs/dbraw/zinc/13/21/04/1351132104.db2.gz GRGGJHTWRBKDGE-SNVBAGLBSA-N -1 1 325.376 2.455 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cc(-c2nnn[n-]2)ncn1 ZINC001605332503 1351138625 /nfs/dbraw/zinc/13/86/25/1351138625.db2.gz ZXGRUCBRNKRTKC-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@@H]1CCCCN1c1cc(-c2nn[n-]n2)ncn1 ZINC001605332503 1351138627 /nfs/dbraw/zinc/13/86/27/1351138627.db2.gz ZXGRUCBRNKRTKC-AWEZNQCLSA-N -1 1 337.387 2.397 20 0 EEADMM CCNc1ccc(C)cc1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001605501065 1351173192 /nfs/dbraw/zinc/17/31/92/1351173192.db2.gz IBPBEEJGBYNDEG-UHFFFAOYSA-N -1 1 333.432 2.048 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC001605568934 1351191965 /nfs/dbraw/zinc/19/19/65/1351191965.db2.gz XEOZAQMBMIFQLQ-LSDHHAIUSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC001605568934 1351191968 /nfs/dbraw/zinc/19/19/68/1351191968.db2.gz XEOZAQMBMIFQLQ-LSDHHAIUSA-N -1 1 339.403 2.135 20 0 EEADMM Cc1c(Nc2nc(C)cc(-c3nnn[n-]3)n2)cnn1-c1ccccc1 ZINC001605585303 1351195253 /nfs/dbraw/zinc/19/52/53/1351195253.db2.gz PBHYXQAGRQQJSF-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1c(Nc2nc(C)cc(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC001605585303 1351195256 /nfs/dbraw/zinc/19/52/56/1351195256.db2.gz PBHYXQAGRQQJSF-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)o2)c(C)s1 ZINC001605588659 1351195742 /nfs/dbraw/zinc/19/57/42/1351195742.db2.gz IWOMMQKGGVIZSG-UHFFFAOYSA-N -1 1 332.341 2.178 20 0 EEADMM CCc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001605834645 1351232233 /nfs/dbraw/zinc/23/22/33/1351232233.db2.gz GFWWBTXCSJWOJL-QGZVFWFLSA-N -1 1 326.396 2.473 20 0 EEADMM Cc1ncsc1CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001606103652 1351271438 /nfs/dbraw/zinc/27/14/38/1351271438.db2.gz PUZHYQUYTGCUJG-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)CCCc1cccnc1 ZINC001606167911 1351280921 /nfs/dbraw/zinc/28/09/21/1351280921.db2.gz ZUDZOJQLIYXGLO-LLVKDONJSA-N -1 1 340.387 2.304 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)CCCc1cccnc1 ZINC001606167911 1351280922 /nfs/dbraw/zinc/28/09/22/1351280922.db2.gz ZUDZOJQLIYXGLO-LLVKDONJSA-N -1 1 340.387 2.304 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CC[C@H](C3CCCCC3)C2)n1 ZINC001606536743 1351318707 /nfs/dbraw/zinc/31/87/07/1351318707.db2.gz JEFBXFVEYGERIL-ZDUSSCGKSA-N -1 1 335.404 2.228 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606726452 1351347416 /nfs/dbraw/zinc/34/74/16/1351347416.db2.gz DRDSRPRDXGJACT-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606726452 1351347419 /nfs/dbraw/zinc/34/74/19/1351347419.db2.gz DRDSRPRDXGJACT-JTQLQIEISA-N -1 1 336.346 2.207 20 0 EEADMM O=C(Nc1ccn2ccnc2c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606940870 1351380619 /nfs/dbraw/zinc/38/06/19/1351380619.db2.gz IMTUEVIEEQMBLV-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(Nc1ccn2ccnc2c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606940870 1351380621 /nfs/dbraw/zinc/38/06/21/1351380621.db2.gz IMTUEVIEEQMBLV-UHFFFAOYSA-N -1 1 341.281 2.045 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCSC[C@@H]1c1ccccc1 ZINC001607016624 1351397545 /nfs/dbraw/zinc/39/75/45/1351397545.db2.gz BEEJNJVNGDZGSO-GFCCVEGCSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCSC[C@@H]1c1ccccc1 ZINC001607016624 1351397549 /nfs/dbraw/zinc/39/75/49/1351397549.db2.gz BEEJNJVNGDZGSO-GFCCVEGCSA-N -1 1 341.396 2.390 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CC[C@@H]2CCCC[C@@H]21 ZINC001607015804 1351397744 /nfs/dbraw/zinc/39/77/44/1351397744.db2.gz SPUPOLHOIANQJU-CABZTGNLSA-N -1 1 332.795 2.320 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CC1CCC(F)(F)CC1)CCC2 ZINC001607089457 1351413073 /nfs/dbraw/zinc/41/30/73/1351413073.db2.gz VIVXOCWLCGUEMF-UHFFFAOYSA-N -1 1 335.358 2.343 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1ccc(F)cc1Cl)CCC2 ZINC001607089261 1351413524 /nfs/dbraw/zinc/41/35/24/1351413524.db2.gz MHZBDRWLVILBKY-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM c1ccc(-c2cc(CNc3cc(-c4nnn[n-]4)ncn3)ccn2)cc1 ZINC001607124326 1351429140 /nfs/dbraw/zinc/42/91/40/1351429140.db2.gz FAOGYIMBMOYMGK-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1ccc(-c2cc(CNc3cc(-c4nn[n-]n4)ncn3)ccn2)cc1 ZINC001607124326 1351429141 /nfs/dbraw/zinc/42/91/41/1351429141.db2.gz FAOGYIMBMOYMGK-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM COc1cc(CN2CCC([C@@H](O)C(=O)[O-])CC2)ccc1SC ZINC001607157096 1351439788 /nfs/dbraw/zinc/43/97/88/1351439788.db2.gz GUKGJJLRSSQJEJ-OAHLLOKOSA-N -1 1 325.430 2.075 20 0 EEADMM COc1cc(NC(=O)[C@H]2C[C@H](C)Cc3cn[nH]c32)ccc1C(=O)[O-] ZINC001607174538 1351443080 /nfs/dbraw/zinc/44/30/80/1351443080.db2.gz XFNKXWHMYSYVKJ-RNCFNFMXSA-N -1 1 329.356 2.421 20 0 EEADMM CS[C@H]1CCCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001607392035 1351486127 /nfs/dbraw/zinc/48/61/27/1351486127.db2.gz ZEULMRWPTYMAJA-ZDUSSCGKSA-N -1 1 328.478 2.108 20 0 EEADMM Cc1[nH]c(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1C(=O)[O-] ZINC001607497186 1351505924 /nfs/dbraw/zinc/50/59/24/1351505924.db2.gz RDAZMCWQSCQCIN-KRWDZBQOSA-N -1 1 341.411 2.475 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)n1C ZINC001607518269 1351509570 /nfs/dbraw/zinc/50/95/70/1351509570.db2.gz SLTUIGAKBYRBGR-HNNXBMFYSA-N -1 1 343.362 2.168 20 0 EEADMM Cc1ccc2nc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])cc(=O)n2c1 ZINC001607834420 1351568001 /nfs/dbraw/zinc/56/80/01/1351568001.db2.gz FIHGDZMZPPXCPG-KRWDZBQOSA-N -1 1 349.390 2.014 20 0 EEADMM Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCN(CC(=O)[O-])CC1 ZINC001607841351 1351569264 /nfs/dbraw/zinc/56/92/64/1351569264.db2.gz IYWRWNLDHNEOPF-HNNXBMFYSA-N -1 1 347.459 2.148 20 0 EEADMM Cc1cccn2cc(CC(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)nc12 ZINC001607887998 1351579822 /nfs/dbraw/zinc/57/98/22/1351579822.db2.gz ZWHZQISQGQHZAZ-UHFFFAOYSA-N -1 1 349.350 2.398 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CNCc1ccc2c(c1)COC2 ZINC001608008863 1351603816 /nfs/dbraw/zinc/60/38/16/1351603816.db2.gz WJYADLADCBXIFB-UHFFFAOYSA-N -1 1 329.400 2.295 20 0 EEADMM O=C([O-])c1sccc1NC(=O)CN[C@@H](CCCO)c1ccccc1 ZINC001608340232 1351674154 /nfs/dbraw/zinc/67/41/54/1351674154.db2.gz JLTGWTMXQJVTCK-ZDUSSCGKSA-N -1 1 348.424 2.488 20 0 EEADMM CC(=O)c1ccnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC001645957904 1352810798 /nfs/dbraw/zinc/81/07/98/1352810798.db2.gz PSEPBTIUWSCXOD-UHFFFAOYSA-N -1 1 329.322 2.179 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCC(CCC(C)C)CC1 ZINC001646708181 1352937197 /nfs/dbraw/zinc/93/71/97/1352937197.db2.gz ZKRDHAPCVKUGTH-UHFFFAOYSA-N -1 1 332.456 2.055 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCC(CCC(C)C)CC1 ZINC001646708181 1352937200 /nfs/dbraw/zinc/93/72/00/1352937200.db2.gz ZKRDHAPCVKUGTH-UHFFFAOYSA-N -1 1 332.456 2.055 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cnc2ccnn2c1 ZINC001648676762 1353438687 /nfs/dbraw/zinc/43/86/87/1353438687.db2.gz LQMVFNCIICPWIU-UHFFFAOYSA-N -1 1 326.360 2.083 20 0 EEADMM O=c1nc(Cl)cc(Sc2nnnn2Cc2cccs2)[n-]1 ZINC001649444330 1353509204 /nfs/dbraw/zinc/50/92/04/1353509204.db2.gz DMYYUHQPWUNGAH-UHFFFAOYSA-N -1 1 326.794 2.083 20 0 EEADMM CSCC[C@H](C)N(C)c1nnc(-c2c[n-][nH]c2=O)n1CC1CC1 ZINC001650529676 1353975085 /nfs/dbraw/zinc/97/50/85/1353975085.db2.gz VFOMURGEBGWZRW-JTQLQIEISA-N -1 1 336.465 2.362 20 0 EEADMM Cc1occc1-c1cc(NC(=O)N2CCC(c3nn[n-]n3)CC2)no1 ZINC001669646834 1356189398 /nfs/dbraw/zinc/18/93/98/1356189398.db2.gz SHRLKFPGTJSRNV-UHFFFAOYSA-N -1 1 343.347 2.168 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001672120359 1356465060 /nfs/dbraw/zinc/46/50/60/1356465060.db2.gz OYJTYROLCBMHAK-MRXNPFEDSA-N -1 1 338.367 2.433 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001388319680 1387363757 /nfs/dbraw/zinc/36/37/57/1387363757.db2.gz JJKDBDFKVNRLFD-MGPQQGTHSA-N -1 1 333.432 2.381 20 0 EEADMM CC1(C)C(C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)C1(C)C ZINC001388618816 1387591425 /nfs/dbraw/zinc/59/14/25/1387591425.db2.gz HOIMHSKTXFFGIV-UHFFFAOYSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCCC1 ZINC001388900536 1387791430 /nfs/dbraw/zinc/79/14/30/1387791430.db2.gz JUTXUNVHNWALBT-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(Nc1nc[nH]c(=O)c1Br)c1cccc([S-])c1 ZINC001186130322 1368193326 /nfs/dbraw/zinc/19/33/26/1368193326.db2.gz NEUCXDBRRWMVML-UHFFFAOYSA-N -1 1 326.175 2.486 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccncc1[O-])C(C)(C)C ZINC001188639475 1368310269 /nfs/dbraw/zinc/31/02/69/1368310269.db2.gz YVDUECUHPNBQMA-ZDUSSCGKSA-N -1 1 337.420 2.456 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001195305570 1368516076 /nfs/dbraw/zinc/51/60/76/1368516076.db2.gz LRYLOKYFBHNTKV-MRXNPFEDSA-N -1 1 343.814 2.496 20 0 EEADMM O=C(NC1(Cc2ccccn2)CCOCC1)c1cc([O-])cnc1Cl ZINC001195314369 1368517086 /nfs/dbraw/zinc/51/70/86/1368517086.db2.gz DUYYIZLUQWDPFR-UHFFFAOYSA-N -1 1 347.802 2.357 20 0 EEADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)c2cnccn2)n1 ZINC001195331565 1368520356 /nfs/dbraw/zinc/52/03/56/1368520356.db2.gz YYZTXBOSZTZMHU-UHFFFAOYSA-N -1 1 349.350 2.390 20 0 EEADMM C[C@H](CN(C)C(=O)CCC1CCCC1)NC(=O)c1ncccc1[O-] ZINC001487699170 1368712744 /nfs/dbraw/zinc/71/27/44/1368712744.db2.gz NZVWLOQBGJBKLJ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCOCC[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001201018127 1368772551 /nfs/dbraw/zinc/77/25/51/1368772551.db2.gz DFJLNPCNVHZLII-UHFFFAOYSA-N -1 1 340.214 2.293 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1nc[nH]c1Br)[C@@H]1CC1(C)C ZINC000867414861 1368864520 /nfs/dbraw/zinc/86/45/20/1368864520.db2.gz DHPWGYSNVDKZCP-YUMQZZPRSA-N -1 1 336.255 2.275 20 0 EEADMM CCCc1n[n-]c(=S)n1CC(=O)N(C)CCN(C)c1ccccc1 ZINC000107613014 1369147175 /nfs/dbraw/zinc/14/71/75/1369147175.db2.gz XHMLQWIQSSNCOU-UHFFFAOYSA-N -1 1 347.488 2.488 20 0 EEADMM C[C@@H]1CCN(Cn2ncsc2=S)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853622061 1369359197 /nfs/dbraw/zinc/35/91/97/1369359197.db2.gz QLLANDHVMZAJEF-SFYZADRCSA-N -1 1 340.396 2.020 20 0 EEADMM Cc1ncc(C(=O)N2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)[nH]1 ZINC000864225760 1369580966 /nfs/dbraw/zinc/58/09/66/1369580966.db2.gz ZWODXVCYLYEJPR-UHFFFAOYSA-N -1 1 334.401 2.201 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000830796299 1372350037 /nfs/dbraw/zinc/35/00/37/1372350037.db2.gz ZJQQUALUFRUODK-ZAZJYDDPSA-N -1 1 330.350 2.258 20 0 EEADMM Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c(C(C)C)n1 ZINC000831121986 1372364713 /nfs/dbraw/zinc/36/47/13/1372364713.db2.gz RREHCXLCDWDBOT-UHFFFAOYSA-N -1 1 343.349 2.264 20 0 EEADMM O=C([N-]CC1CN(C(=O)c2ccc3c(c2)CCC=C3)C1)C(F)(F)F ZINC000831130070 1372365918 /nfs/dbraw/zinc/36/59/18/1372365918.db2.gz OVTOUWWPQJMALU-UHFFFAOYSA-N -1 1 338.329 2.397 20 0 EEADMM Cc1[nH]c(CN2CCC(NC(=O)CC(C)C)CC2)c(C)c1C(=O)[O-] ZINC001140495786 1372586344 /nfs/dbraw/zinc/58/63/44/1372586344.db2.gz FWGKQEMKAZPEMH-UHFFFAOYSA-N -1 1 335.448 2.456 20 0 EEADMM C[C@]1(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)CC1(Cl)Cl ZINC000838163099 1372828170 /nfs/dbraw/zinc/82/81/70/1372828170.db2.gz FQDGKQYRYFFCOH-AWEZNQCLSA-N -1 1 344.194 2.460 20 0 EEADMM Cc1c(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cnn1C ZINC001347528685 1372975293 /nfs/dbraw/zinc/97/52/93/1372975293.db2.gz MCULMDOPEHDRJW-UHFFFAOYSA-N -1 1 334.376 2.459 20 0 EEADMM CN(C)C(=O)C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001362735940 1373457902 /nfs/dbraw/zinc/45/79/02/1373457902.db2.gz FVDUKYSBUDYSNV-HNNXBMFYSA-N -1 1 330.359 2.481 20 0 EEADMM O=S(=O)([N-][C@@H](CO)c1ccc(F)cc1F)c1cccc(F)c1F ZINC001364038307 1373575399 /nfs/dbraw/zinc/57/53/99/1373575399.db2.gz PFHZVSRJORQMNB-LBPRGKRZSA-N -1 1 349.305 2.255 20 0 EEADMM CC(C)([N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)c1ccccc1 ZINC001365407415 1373717396 /nfs/dbraw/zinc/71/73/96/1373717396.db2.gz BJZAGQCXRMUWEG-UHFFFAOYSA-N -1 1 327.793 2.003 20 0 EEADMM C[C@H]1CCCC[C@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CC(C)(C)C1 ZINC001367191219 1374120355 /nfs/dbraw/zinc/12/03/55/1374120355.db2.gz MIQIJNMONBXHSH-KPZWWZAWSA-N -1 1 349.479 2.101 20 0 EEADMM C[C@H](CN(C)C(=O)CC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001370447302 1374945715 /nfs/dbraw/zinc/94/57/15/1374945715.db2.gz ZOUYKZDVWCGXER-LLVKDONJSA-N -1 1 348.447 2.073 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)CCCC1CC1 ZINC001370883664 1375100245 /nfs/dbraw/zinc/10/02/45/1375100245.db2.gz NQMKZWUOXXHKPQ-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@H](NC(=O)CC1CCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001371155025 1375263802 /nfs/dbraw/zinc/26/38/02/1375263802.db2.gz SHJWFWINGWLJIO-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001371672449 1375569427 /nfs/dbraw/zinc/56/94/27/1375569427.db2.gz SRBFJDNDNQBOFP-BETUJISGSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](CC(C)C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001372248151 1375882539 /nfs/dbraw/zinc/88/25/39/1375882539.db2.gz MIAZILIJGFVDNZ-ZIAGYGMSSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@](CNC(=O)c1cccs1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001390828440 1388805093 /nfs/dbraw/zinc/80/50/93/1388805093.db2.gz PVGHYGVSEDMTRG-QGZVFWFLSA-N -1 1 345.424 2.177 20 0 EEADMM Cc1cc(C)cc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001383838013 1382748934 /nfs/dbraw/zinc/74/89/34/1382748934.db2.gz OETZAAPKAPPJKD-AWEZNQCLSA-N -1 1 341.411 2.295 20 0 EEADMM CN(C(=O)CCCF)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001395000064 1390767912 /nfs/dbraw/zinc/76/79/12/1390767912.db2.gz SFWAJWMJSUFFDT-UHFFFAOYSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ncccc2[O-])ccc1F ZINC001395651476 1390850848 /nfs/dbraw/zinc/85/08/48/1390850848.db2.gz WZELMTFJJCGHFQ-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CCC1(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)CCC1 ZINC001396823564 1390973777 /nfs/dbraw/zinc/97/37/77/1390973777.db2.gz YFOLBMFEMBILAC-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001397744120 1391463971 /nfs/dbraw/zinc/46/39/71/1391463971.db2.gz WGIMNRSXBZMEJR-CYBMUJFWSA-N -1 1 327.384 2.034 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1cc(Cl)cs1 ZINC001397897552 1391540738 /nfs/dbraw/zinc/54/07/38/1391540738.db2.gz AUYYSYAFFPWZQX-UHFFFAOYSA-N -1 1 339.804 2.004 20 0 EEADMM CCCC(CCC)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001398759555 1394177602 /nfs/dbraw/zinc/17/76/02/1394177602.db2.gz KRUZVJSBSMZMJY-CQSZACIVSA-N -1 1 337.468 2.197 20 0 EEADMM C=C/C(C)=C/CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001753746692 1406768175 /nfs/dbraw/zinc/76/81/75/1406768175.db2.gz APTNUNBYZBHMIU-GLNPCMGASA-N -1 1 347.463 2.187 20 0 EEADMM CCc1nc(CN[C@@H](C)CN(C)C(=O)c2ncccc2[O-])cs1 ZINC001423061618 1400391577 /nfs/dbraw/zinc/39/15/77/1400391577.db2.gz RWEVVKQDIRUPPU-NSHDSACASA-N -1 1 334.445 2.056 20 0 EEADMM CC(C)c1noc([C@H](C)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])n1 ZINC001423064718 1400394210 /nfs/dbraw/zinc/39/42/10/1400394210.db2.gz YTOKESJEHWCSLI-RYUDHWBXSA-N -1 1 347.419 2.105 20 0 EEADMM Cc1cc(F)cc(C(=O)N(C)[C@H](C)CNC(=O)c2ncccc2[O-])c1 ZINC001426618335 1402120083 /nfs/dbraw/zinc/12/00/83/1402120083.db2.gz SKZIOMGCCWHIFQ-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CCCC[C@@H](CNC(=O)[C@@H]1CC12CCC2)NC(=O)c1ncccc1[O-] ZINC001426956225 1402272638 /nfs/dbraw/zinc/27/26/38/1402272638.db2.gz ULZZTKXOCZPFPU-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM O=C(N[C@H]1CC[C@H](CNC(=O)C2(F)CCCC2)C1)c1ncccc1[O-] ZINC001428113835 1402626349 /nfs/dbraw/zinc/62/63/49/1402626349.db2.gz DHNNDUFZSBHKAU-STQMWFEESA-N -1 1 349.406 2.084 20 0 EEADMM Cc1coc(C(=O)N[C@H](CNC(=O)c2ncccc2[O-])C(C)(C)C)c1 ZINC001428382040 1402697947 /nfs/dbraw/zinc/69/79/47/1402697947.db2.gz GPFBKFKMKHJUEG-CQSZACIVSA-N -1 1 345.399 2.263 20 0 EEADMM CC(C)[C@H](CNC(=O)[C@H]1CC[C@H](C)CC1)NC(=O)c1ncccc1[O-] ZINC001431271492 1403016450 /nfs/dbraw/zinc/01/64/50/1403016450.db2.gz FOFVYEXFCPBDFG-KKUMJFAQSA-N -1 1 347.459 2.484 20 0 EEADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001574393492 1403521010 /nfs/dbraw/zinc/52/10/10/1403521010.db2.gz ZUNMAWRCPQOMBH-WCBMZHEXSA-N -1 1 340.309 2.055 20 0 EEADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)c1nnc2ccccn21 ZINC001575452745 1403550331 /nfs/dbraw/zinc/55/03/31/1403550331.db2.gz VZXDUOHFJAXBOR-ZCFIWIBFSA-N -1 1 347.795 2.192 20 0 EEADMM CCC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001576484647 1403578791 /nfs/dbraw/zinc/57/87/91/1403578791.db2.gz NZHJELSABGTIAA-UHFFFAOYSA-N -1 1 342.384 2.477 20 0 EEADMM CCC(=O)c1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001576484647 1403578793 /nfs/dbraw/zinc/57/87/93/1403578793.db2.gz NZHJELSABGTIAA-UHFFFAOYSA-N -1 1 342.384 2.477 20 0 EEADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001576617752 1403592401 /nfs/dbraw/zinc/59/24/01/1403592401.db2.gz QWKHAYPYXAMCBD-MFKMUULPSA-N -1 1 344.419 2.317 20 0 EEADMM CC[C@@H](NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C)C1CCCCC1 ZINC001576972118 1403616762 /nfs/dbraw/zinc/61/67/62/1403616762.db2.gz AKDRIOWLQOTPOO-CYBMUJFWSA-N -1 1 344.419 2.364 20 0 EEADMM CCOc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1CO ZINC001578397987 1403746983 /nfs/dbraw/zinc/74/69/83/1403746983.db2.gz HROYTXMDHUOLGF-UHFFFAOYSA-N -1 1 345.384 2.072 20 0 EEADMM COC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(-c2nn[n-]n2)n1 ZINC001579485112 1403784720 /nfs/dbraw/zinc/78/47/20/1403784720.db2.gz QDQNWMXLEHBPJV-UHFFFAOYSA-N -1 1 333.254 2.119 20 0 EEADMM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC001592244312 1404012579 /nfs/dbraw/zinc/01/25/79/1404012579.db2.gz YARPPOYOTSNQNQ-WDEREUQCSA-N -1 1 326.385 2.374 20 0 EEADMM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC001592244312 1404012585 /nfs/dbraw/zinc/01/25/85/1404012585.db2.gz YARPPOYOTSNQNQ-WDEREUQCSA-N -1 1 326.385 2.374 20 0 EEADMM Cc1nc(N[C@@H](C)c2cnn(CC3CCC3)c2)cc(-c2nnn[n-]2)n1 ZINC001592380986 1404026839 /nfs/dbraw/zinc/02/68/39/1404026839.db2.gz SMTIXMANAYOYAH-JTQLQIEISA-N -1 1 339.407 2.135 20 0 EEADMM Cc1nc(N[C@@H](C)c2cnn(CC3CCC3)c2)cc(-c2nn[n-]n2)n1 ZINC001592380986 1404026844 /nfs/dbraw/zinc/02/68/44/1404026844.db2.gz SMTIXMANAYOYAH-JTQLQIEISA-N -1 1 339.407 2.135 20 0 EEADMM Cc1nsc(NCc2ccc(N3CCCC3)nc2)c1-c1nn[n-]n1 ZINC001592493333 1404703593 /nfs/dbraw/zinc/70/35/93/1404703593.db2.gz ZYQJAGUQUSAPOP-UHFFFAOYSA-N -1 1 342.432 2.239 20 0 EEADMM Cc1nsc(NCc2cc(=O)c3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC001592493275 1404704153 /nfs/dbraw/zinc/70/41/53/1404704153.db2.gz VSBMSSDQXDPPBS-UHFFFAOYSA-N -1 1 339.384 2.085 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001592499300 1404704270 /nfs/dbraw/zinc/70/42/70/1404704270.db2.gz KKPJJVRIERXWOU-OLZOCXBDSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001592499300 1404704273 /nfs/dbraw/zinc/70/42/73/1404704273.db2.gz KKPJJVRIERXWOU-OLZOCXBDSA-N -1 1 345.403 2.047 20 0 EEADMM O=C(NCC1Cc2ccccc2C1)c1csc(-c2nn[n-]n2)c1 ZINC001593047945 1404739719 /nfs/dbraw/zinc/73/97/19/1404739719.db2.gz WBVUHMWMUMWUBM-UHFFFAOYSA-N -1 1 325.397 2.073 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593225224 1404745357 /nfs/dbraw/zinc/74/53/57/1404745357.db2.gz SRAIWKQJHPXLBY-JIGDXULJSA-N -1 1 349.192 2.009 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001593225224 1404745360 /nfs/dbraw/zinc/74/53/60/1404745360.db2.gz SRAIWKQJHPXLBY-JIGDXULJSA-N -1 1 349.192 2.009 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(-c3ccccc3)ccn2)c1-c1nn[n-]n1 ZINC001606014679 1404754928 /nfs/dbraw/zinc/75/49/28/1404754928.db2.gz MRFWITLNCMIVDF-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1nsc(NCc2nc3ccccc3n2C)c1-c1nn[n-]n1 ZINC001606162725 1404770458 /nfs/dbraw/zinc/77/04/58/1404770458.db2.gz KLLVVFPSCARKIV-UHFFFAOYSA-N -1 1 326.389 2.130 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001606195818 1404775936 /nfs/dbraw/zinc/77/59/36/1404775936.db2.gz MXIPPDZIZDFQOZ-MVWJERBFSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001606195818 1404775943 /nfs/dbraw/zinc/77/59/43/1404775943.db2.gz MXIPPDZIZDFQOZ-MVWJERBFSA-N -1 1 325.763 2.060 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3ncncc3-c3nnn[n-]3)n2)cc1 ZINC001606313163 1404788445 /nfs/dbraw/zinc/78/84/45/1404788445.db2.gz JFRXMFJSZUALHZ-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3ncncc3-c3nn[n-]n3)n2)cc1 ZINC001606313163 1404788449 /nfs/dbraw/zinc/78/84/49/1404788449.db2.gz JFRXMFJSZUALHZ-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)no1 ZINC000164887443 1405713641 /nfs/dbraw/zinc/71/36/41/1405713641.db2.gz BNQDNIFRKNOZKG-RXMQYKEDSA-N -1 1 337.188 2.119 20 0 EEADMM N[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC001771828604 1409960304 /nfs/dbraw/zinc/96/03/04/1409960304.db2.gz HFIWJGGXNLNXJB-LBPRGKRZSA-N -1 1 330.306 2.028 20 0 EEADMM Cc1cnc(C)nc1N(C)CCN(C(=O)c1ncccc1[O-])C(C)C ZINC001125476801 759385623 /nfs/dbraw/zinc/38/56/23/759385623.db2.gz ALDLTPBKDGKBMZ-UHFFFAOYSA-N -1 1 343.431 2.181 20 0 EEADMM Cc1ccc(NC[C@H](CC(C)C)NC(=O)c2ncccc2[O-])nn1 ZINC001104933334 765599062 /nfs/dbraw/zinc/59/90/62/765599062.db2.gz AYFGRMBEQXOQCV-ZDUSSCGKSA-N -1 1 329.404 2.142 20 0 EEADMM CCOC(=O)[C@H]1CCC[C@@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138609 782672189 /nfs/dbraw/zinc/67/21/89/782672189.db2.gz RTXOQYGHXOJQBB-DTWKUNHWSA-N -1 1 345.193 2.445 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1ccc(F)c(F)c1F ZINC000033655682 769495168 /nfs/dbraw/zinc/49/51/68/769495168.db2.gz IIIZSWKKJSWLTD-NSHDSACASA-N -1 1 331.315 2.116 20 0 EEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(Cl)n2)cc1 ZINC000185924869 770529804 /nfs/dbraw/zinc/52/98/04/770529804.db2.gz SAUCFURXUKDBEK-UHFFFAOYSA-N -1 1 340.788 2.464 20 0 EEADMM CCN(c1ccnc(C2CC2)n1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001089637024 773628705 /nfs/dbraw/zinc/62/87/05/773628705.db2.gz JXYZBESSWFXENS-GFCCVEGCSA-N -1 1 341.415 2.099 20 0 EEADMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000921498670 778120606 /nfs/dbraw/zinc/12/06/06/778120606.db2.gz KMPOJQUAEPHENQ-LHLIQPBNSA-N -1 1 328.192 2.446 20 0 EEADMM CC(C)(CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC000940832948 779378985 /nfs/dbraw/zinc/37/89/85/779378985.db2.gz RMDAZRUPEJFKOD-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1ccc(C)c(OC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c1 ZINC000067019238 779450919 /nfs/dbraw/zinc/45/09/19/779450919.db2.gz BAQUAQGFBSENLS-UHFFFAOYSA-N -1 1 325.368 2.404 20 0 EEADMM CCCOc1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)n1 ZINC001167934518 780989699 /nfs/dbraw/zinc/98/96/99/780989699.db2.gz JSLXRAFQWAOPPQ-UHFFFAOYSA-N -1 1 349.327 2.350 20 0 EEADMM Cc1nc2c[nH]cc(NC3([P@](=O)([O-])O)Cc4ccccc4C3)c-2n1 ZINC001167937258 781008326 /nfs/dbraw/zinc/00/83/26/781008326.db2.gz BDMFVYCFIPEKRI-UHFFFAOYSA-N -1 1 344.311 2.351 20 0 EEADMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(Cl)n1 ZINC000905949406 783605574 /nfs/dbraw/zinc/60/55/74/783605574.db2.gz TUONGQYCXNDUOF-UHFFFAOYSA-N -1 1 334.763 2.370 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1c2c(ccc1F)OCO2 ZINC000905948612 783606185 /nfs/dbraw/zinc/60/61/85/783606185.db2.gz NYJBUNJSKSVSRV-UHFFFAOYSA-N -1 1 331.303 2.181 20 0 EEADMM O=C([N-]OC1CCOCC1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000816172569 783774060 /nfs/dbraw/zinc/77/40/60/783774060.db2.gz SLRODBAJJOEAQR-UHFFFAOYSA-N -1 1 337.391 2.392 20 0 EEADMM CSc1nc(C)c(CCC(=O)OCCc2nccnc2C)c(=O)[n-]1 ZINC000816236382 783814632 /nfs/dbraw/zinc/81/46/32/783814632.db2.gz AXMDVYWAKAKWRY-UHFFFAOYSA-N -1 1 348.428 2.029 20 0 EEADMM CO[C@@H](COC(=O)CCc1c(C)nc(SC)[n-]c1=O)C(C)C ZINC000816352546 783928615 /nfs/dbraw/zinc/92/86/15/783928615.db2.gz NSXZWJBASDEECD-LBPRGKRZSA-N -1 1 328.434 2.359 20 0 EEADMM CN1C(=O)CC[C@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816590653 784124472 /nfs/dbraw/zinc/12/44/72/784124472.db2.gz HMYQWPDMBGGHHV-QMMMGPOBSA-N -1 1 347.596 2.367 20 0 EEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)CCO2 ZINC000907427082 784623038 /nfs/dbraw/zinc/62/30/38/784623038.db2.gz UHQCZTOVZRBVSO-AWEZNQCLSA-N -1 1 341.367 2.322 20 0 EEADMM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476400 784646097 /nfs/dbraw/zinc/64/60/97/784646097.db2.gz MYJJSAOVRLLXEL-FZMZJTMJSA-N -1 1 349.435 2.224 20 0 EEADMM Cc1cc(C)c(C=CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1C ZINC000907477761 784647372 /nfs/dbraw/zinc/64/73/72/784647372.db2.gz RYHNSQRVWCRBNV-RGDDUWESSA-N -1 1 343.456 2.455 20 0 EEADMM O=C([N-]OCCC1CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000817388053 784735787 /nfs/dbraw/zinc/73/57/87/784735787.db2.gz OXKIVORBMSEZPL-MRXNPFEDSA-N -1 1 328.412 2.376 20 0 EEADMM C[C@@H]1CCCN(C(=O)C=C2CCC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945754088 784778725 /nfs/dbraw/zinc/77/87/25/784778725.db2.gz KYYIVTSXMXUABU-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM CCO[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491690 784795318 /nfs/dbraw/zinc/79/53/18/784795318.db2.gz CXPQWCJBANJZAD-JQWIXIFHSA-N -1 1 344.333 2.048 20 0 EEADMM CCO[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817491701 784795670 /nfs/dbraw/zinc/79/56/70/784795670.db2.gz CXPQWCJBANJZAD-ZYHUDNBSSA-N -1 1 344.333 2.048 20 0 EEADMM COC[C@@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817598423 784857568 /nfs/dbraw/zinc/85/75/68/784857568.db2.gz BMZRMCSDFFYQSM-MRVPVSSYSA-N -1 1 328.142 2.209 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1cc([C@@H]2CCCOC2)nn1C ZINC000907857935 784911908 /nfs/dbraw/zinc/91/19/08/784911908.db2.gz JAEWQQSCNKXWST-LLVKDONJSA-N -1 1 331.372 2.281 20 0 EEADMM O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000908217627 785243711 /nfs/dbraw/zinc/24/37/11/785243711.db2.gz YCRDFKUFHWXQON-LBPRGKRZSA-N -1 1 347.802 2.219 20 0 EEADMM Cc1ccc(O)cc1C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000908285940 785299381 /nfs/dbraw/zinc/29/93/81/785299381.db2.gz WUOKPSCHUCBFSG-LLVKDONJSA-N -1 1 344.333 2.231 20 0 EEADMM Cc1nc(-c2ccccc2)oc1C(=O)NCc1n[n-]c(=S)n1C ZINC000073382082 785523079 /nfs/dbraw/zinc/52/30/79/785523079.db2.gz SBAFQZZATKSDQD-UHFFFAOYSA-N -1 1 329.385 2.371 20 0 EEADMM O=C([O-])C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccc(F)cc1 ZINC000908609099 785564248 /nfs/dbraw/zinc/56/42/48/785564248.db2.gz QQSXBOWNCOKWRH-HNNXBMFYSA-N -1 1 345.374 2.302 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCC1)c1noc(C(F)F)n1 ZINC000819573516 785590074 /nfs/dbraw/zinc/59/00/74/785590074.db2.gz QGRKMIXCQMEKHG-LURJTMIESA-N -1 1 325.262 2.125 20 0 EEADMM O=C([O-])C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1cccs1 ZINC000908646070 785601841 /nfs/dbraw/zinc/60/18/41/785601841.db2.gz MDLXNZGKXRMQQI-ZDUSSCGKSA-N -1 1 333.413 2.225 20 0 EEADMM CCC(=O)NCc1cccc2c1CCN(C(=O)c1ncccc1[O-])C2 ZINC001061933209 785765151 /nfs/dbraw/zinc/76/51/51/785765151.db2.gz RXZPZYVIWWITIH-UHFFFAOYSA-N -1 1 339.395 2.012 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N(CC(=O)[O-])C2CCC2)N2CCCC2)o1 ZINC000908926803 785876077 /nfs/dbraw/zinc/87/60/77/785876077.db2.gz UKTWXJPIYPKOFS-HNNXBMFYSA-N -1 1 349.431 2.374 20 0 EEADMM CC(C)(CN1CCOCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000909097840 785994657 /nfs/dbraw/zinc/99/46/57/785994657.db2.gz VWLSUQJKEYKEMW-VMPITWQZSA-N -1 1 332.400 2.081 20 0 EEADMM CC(C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000909122716 786006203 /nfs/dbraw/zinc/00/62/03/786006203.db2.gz OJLLEWCQOIPCRE-AWEZNQCLSA-N -1 1 341.839 2.447 20 0 EEADMM CN(C)Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000909134051 786053504 /nfs/dbraw/zinc/05/35/04/786053504.db2.gz NOZRRQICIRWCLL-UHFFFAOYSA-N -1 1 327.384 2.114 20 0 EEADMM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000909144762 786062690 /nfs/dbraw/zinc/06/26/90/786062690.db2.gz FMSVGPJMCBNODA-VBQJREDUSA-N -1 1 345.443 2.154 20 0 EEADMM C/C(=C/C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1[O-])C2)C1CC1 ZINC000996141583 786079324 /nfs/dbraw/zinc/07/93/24/786079324.db2.gz FZOIVEQPVKSTCM-FDBVCPBRSA-N -1 1 341.411 2.005 20 0 EEADMM CC(C)[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000909696609 786176856 /nfs/dbraw/zinc/17/68/56/786176856.db2.gz URGYWYVEOLMUAR-MSOLQXFVSA-N -1 1 346.471 2.414 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])n[nH]2)c1 ZINC000909779386 786241241 /nfs/dbraw/zinc/24/12/41/786241241.db2.gz KIKWEENHOBBROW-BZNIZROVSA-N -1 1 343.383 2.411 20 0 EEADMM CN1CCC[C@@H]1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909787112 786247771 /nfs/dbraw/zinc/24/77/71/786247771.db2.gz BOSSXRLHKVHKST-DJIMGWMZSA-N -1 1 330.428 2.160 20 0 EEADMM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)CN1CCCC1 ZINC000909790977 786251866 /nfs/dbraw/zinc/25/18/66/786251866.db2.gz SYHITOKXWVXWRI-NVXWUHKLSA-N -1 1 330.428 2.162 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)C2)c1 ZINC000910015163 786405482 /nfs/dbraw/zinc/40/54/82/786405482.db2.gz WNKTZJUBKOWRCJ-IAGOWNOFSA-N -1 1 330.428 2.108 20 0 EEADMM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)CN1CCCC1 ZINC000910067515 786428771 /nfs/dbraw/zinc/42/87/71/786428771.db2.gz DGVXGBRIDREEDE-QGZVFWFLSA-N -1 1 326.396 2.048 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccn(C3CCCCC3)n2)CC1 ZINC000910174265 786496342 /nfs/dbraw/zinc/49/63/42/786496342.db2.gz DSBNXZVCACHPGC-CQSZACIVSA-N -1 1 348.447 2.009 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000910179956 786512172 /nfs/dbraw/zinc/51/21/72/786512172.db2.gz PBATZSVVVZBGQS-UHFFFAOYSA-N -1 1 342.395 2.166 20 0 EEADMM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)N(C)C ZINC000910220549 786532093 /nfs/dbraw/zinc/53/20/93/786532093.db2.gz OTKUELOLBKONNI-LLVKDONJSA-N -1 1 330.331 2.307 20 0 EEADMM CN(C)Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000910234236 786544516 /nfs/dbraw/zinc/54/45/16/786544516.db2.gz PYLDBONHRCPRBO-INIZCTEOSA-N -1 1 333.432 2.154 20 0 EEADMM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3C[C@H]3C3CCOCC3)c12 ZINC000910385537 786729159 /nfs/dbraw/zinc/72/91/59/786729159.db2.gz FTWAJLVJGITREP-WDEREUQCSA-N -1 1 333.413 2.347 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000910420242 786750426 /nfs/dbraw/zinc/75/04/26/786750426.db2.gz WULRFKIHUACORF-HIFRSBDPSA-N -1 1 325.368 2.008 20 0 EEADMM CC[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])N1CCO[C@@H](CC)C1 ZINC000910987594 787166286 /nfs/dbraw/zinc/16/62/86/787166286.db2.gz BZFPXGKMRLGWCF-FZMZJTMJSA-N -1 1 328.359 2.498 20 0 EEADMM CC[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])N1CCO[C@H](CC)C1 ZINC000910987600 787166415 /nfs/dbraw/zinc/16/64/15/787166415.db2.gz BZFPXGKMRLGWCF-RISCZKNCSA-N -1 1 328.359 2.498 20 0 EEADMM 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CC[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825119176 788445885 /nfs/dbraw/zinc/44/58/85/788445885.db2.gz ADGJZIXLONZJEI-LBPRGKRZSA-N -1 1 340.387 2.016 20 0 EEADMM CCCC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CCC1 ZINC000825259733 788540824 /nfs/dbraw/zinc/54/08/24/788540824.db2.gz KQLXPFOQGOYSSV-GFCCVEGCSA-N -1 1 332.408 2.181 20 0 EEADMM CCCC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CCC1 ZINC000825259733 788540834 /nfs/dbraw/zinc/54/08/34/788540834.db2.gz KQLXPFOQGOYSSV-GFCCVEGCSA-N -1 1 332.408 2.181 20 0 EEADMM CC(C)c1ccc(/C=C\CC(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1 ZINC000913496322 788947670 /nfs/dbraw/zinc/94/76/70/788947670.db2.gz XTFZBGGXYNMXMH-QGZUEGPWSA-N -1 1 341.415 2.327 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](c2ccccn2)C(C)C)co1 ZINC000166048415 789612631 /nfs/dbraw/zinc/61/26/31/789612631.db2.gz YBGQMQSCGXSDAD-AWEZNQCLSA-N -1 1 338.385 2.137 20 0 EEADMM [O-]c1cc(F)c(CN2CCN(c3ccc(Cl)nn3)CC2)c(F)c1 ZINC001144560240 789937614 /nfs/dbraw/zinc/93/76/14/789937614.db2.gz 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C[C@H](CCc1ccccc1F)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913743619 794206976 /nfs/dbraw/zinc/20/69/76/794206976.db2.gz DEDSLJXRKRLJLV-GFCCVEGCSA-N -1 1 331.395 2.314 20 0 EEADMM C[N@@H+](CCNS(=O)(=O)c1cnc(-c2ccccc2)s1)C1CC1 ZINC000913967572 794666762 /nfs/dbraw/zinc/66/67/62/794666762.db2.gz RXIGQAJZZMWAHV-UHFFFAOYSA-N -1 1 337.470 2.183 20 0 EEADMM COc1cc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)cc(OC)c1OC ZINC001212429168 795397022 /nfs/dbraw/zinc/39/70/22/795397022.db2.gz CKFFCYFSCRUPOV-UHFFFAOYSA-N -1 1 344.327 2.355 20 0 EEADMM COc1cc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)cc(OC)c1OC ZINC001212429168 795397027 /nfs/dbraw/zinc/39/70/27/795397027.db2.gz CKFFCYFSCRUPOV-UHFFFAOYSA-N -1 1 344.327 2.355 20 0 EEADMM O=C([O-])C1=C(C(=O)NC[C@@H]2CCN2Cc2ccccc2)CCCC1 ZINC000716187491 795644856 /nfs/dbraw/zinc/64/48/56/795644856.db2.gz JGTAMKVRQHMCEZ-HNNXBMFYSA-N -1 1 328.412 2.332 20 0 EEADMM CCCCC1(C(=O)NCC[C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001078213610 796088201 /nfs/dbraw/zinc/08/82/01/796088201.db2.gz 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339.351 2.023 20 0 EEADMM O=C(Nc1ccc(Oc2ccccc2)cc1)NN1CC(=O)[N-]C1=O ZINC000789830772 808212728 /nfs/dbraw/zinc/21/27/28/808212728.db2.gz DVESSVGSPQGMFB-UHFFFAOYSA-N -1 1 326.312 2.067 20 0 EEADMM Cc1n[nH]nc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000790039896 808339152 /nfs/dbraw/zinc/33/91/52/808339152.db2.gz CHWCPPGHDPMJAA-UHFFFAOYSA-N -1 1 343.387 2.134 20 0 EEADMM CCOc1ccccc1C(=O)NCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790061819 808386421 /nfs/dbraw/zinc/38/64/21/808386421.db2.gz AAFVCBPJHYESTF-UHFFFAOYSA-N -1 1 349.774 2.208 20 0 EEADMM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1cc(Cl)ccc1F ZINC000790211766 808519172 /nfs/dbraw/zinc/51/91/72/808519172.db2.gz BFMFMRDAICAXHQ-ZDUSSCGKSA-N -1 1 329.780 2.491 20 0 EEADMM COc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)c(NC(C)=O)cc1C ZINC001170230387 809847920 /nfs/dbraw/zinc/84/79/20/809847920.db2.gz RCXHVARAORDHEU-UHFFFAOYSA-N -1 1 328.332 2.078 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2)c1 ZINC000793109889 810147531 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O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCC4(CCCC4)C3)C2=O)cc1 ZINC000742267176 577870297 /nfs/dbraw/zinc/87/02/97/577870297.db2.gz YEMMURZZWSCGBQ-HNNXBMFYSA-N -1 1 342.395 2.283 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccnc(N(C)C)c2)c1 ZINC000744751750 577902468 /nfs/dbraw/zinc/90/24/68/577902468.db2.gz ZFQGHCFBDWPPPT-UHFFFAOYSA-N -1 1 328.368 2.455 20 0 EEADMM Nc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1Cl ZINC000745070077 577907493 /nfs/dbraw/zinc/90/74/93/577907493.db2.gz KDQWEYVGYNITGL-UHFFFAOYSA-N -1 1 332.743 2.036 20 0 EEADMM O=C(COC(=O)Cc1cc(F)ccc1F)[N-]C(=O)c1ccccc1 ZINC000745545729 577915065 /nfs/dbraw/zinc/91/50/65/577915065.db2.gz YMCJRPHIOZTRIB-UHFFFAOYSA-N -1 1 333.290 2.007 20 0 EEADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)O1 ZINC000748862908 577968350 /nfs/dbraw/zinc/96/83/50/577968350.db2.gz XKXPDLSRUCWVQO-RFZPGFLSSA-N -1 1 330.214 2.037 20 0 EEADMM NC(=O)[C@@H](NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000739148019 578040819 /nfs/dbraw/zinc/04/08/19/578040819.db2.gz HDNRLWOUIKOJDT-HNNXBMFYSA-N -1 1 331.347 2.274 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc3[nH]cnc32)c2ccccc2O1 ZINC000739613852 578060935 /nfs/dbraw/zinc/06/09/35/578060935.db2.gz DRYAKZOXPFWGFY-AWEZNQCLSA-N -1 1 341.298 2.194 20 0 EEADMM O=C([O-])Nc1ccccc1C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000740042261 578078418 /nfs/dbraw/zinc/07/84/18/578078418.db2.gz ZIXSGQWCUTUFTJ-CQSZACIVSA-N -1 1 347.415 2.103 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000740203478 578085492 /nfs/dbraw/zinc/08/54/92/578085492.db2.gz QVQALWNDFGXZAQ-HNNXBMFYSA-N -1 1 325.372 2.226 20 0 EEADMM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735700008 578164300 /nfs/dbraw/zinc/16/43/00/578164300.db2.gz DXYODMIKFRBMDV-SECBINFHSA-N -1 1 342.325 2.311 20 0 EEADMM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735700008 578164301 /nfs/dbraw/zinc/16/43/01/578164301.db2.gz DXYODMIKFRBMDV-SECBINFHSA-N -1 1 342.325 2.311 20 0 EEADMM CC(C)Oc1cccc([C@@H](O)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000735912597 578173451 /nfs/dbraw/zinc/17/34/51/578173451.db2.gz GDVHTYRSJYCILR-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1cccc([C@@H](O)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000735912597 578173452 /nfs/dbraw/zinc/17/34/52/578173452.db2.gz GDVHTYRSJYCILR-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000736370467 578199440 /nfs/dbraw/zinc/19/94/40/578199440.db2.gz VGCVTAPDQOMEAH-ZFWWWQNUSA-N -1 1 337.420 2.215 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000736414366 578202057 /nfs/dbraw/zinc/20/20/57/578202057.db2.gz CJCAYYTVPCWINX-OAHLLOKOSA-N -1 1 339.411 2.186 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC000736413060 578202529 /nfs/dbraw/zinc/20/25/29/578202529.db2.gz RFAGISYRDFBAKH-IAGOWNOFSA-N -1 1 332.444 2.167 20 0 EEADMM CC1(C)CN(C(=S)NCCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000736735448 578221238 /nfs/dbraw/zinc/22/12/38/578221238.db2.gz KWDDBAXWBLRZEB-UHFFFAOYSA-N -1 1 349.500 2.322 20 0 EEADMM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000736781373 578223261 /nfs/dbraw/zinc/22/32/61/578223261.db2.gz YZYHKPQXUAVTOB-UHFFFAOYSA-N -1 1 346.398 2.488 20 0 EEADMM CC[C@](C)(NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000736861941 578227368 /nfs/dbraw/zinc/22/73/68/578227368.db2.gz YVKCIKFPBXWTCG-ZDUSSCGKSA-N -1 1 340.177 2.309 20 0 EEADMM CC[C@@](C)(NCC(=O)Nc1ccc(N2CCCC2)cc1C)C(=O)[O-] ZINC000736863796 578227433 /nfs/dbraw/zinc/22/74/33/578227433.db2.gz PQCHBKVRZKRANW-GOSISDBHSA-N -1 1 333.432 2.377 20 0 EEADMM CNC(=S)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736884482 578227927 /nfs/dbraw/zinc/22/79/27/578227927.db2.gz UROHRTHNSYJJDQ-UHFFFAOYSA-N -1 1 330.442 2.189 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC000737165125 578241634 /nfs/dbraw/zinc/24/16/34/578241634.db2.gz OJRDYTWHVWVOBW-HUUCEWRRSA-N -1 1 334.416 2.459 20 0 EEADMM Cc1noc(C)c1CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000737538554 578263056 /nfs/dbraw/zinc/26/30/56/578263056.db2.gz UJTPEPPEYIVITJ-UHFFFAOYSA-N -1 1 325.785 2.236 20 0 EEADMM Cc1noc(C)c1CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000737538554 578263057 /nfs/dbraw/zinc/26/30/57/578263057.db2.gz UJTPEPPEYIVITJ-UHFFFAOYSA-N -1 1 325.785 2.236 20 0 EEADMM FC(F)Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000737639331 578268079 /nfs/dbraw/zinc/26/80/79/578268079.db2.gz RBODBCCYCLBOJS-UHFFFAOYSA-N -1 1 343.301 2.015 20 0 EEADMM FC(F)Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000737639331 578268080 /nfs/dbraw/zinc/26/80/80/578268080.db2.gz RBODBCCYCLBOJS-UHFFFAOYSA-N -1 1 343.301 2.015 20 0 EEADMM COCCOc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC000821693502 607310016 /nfs/dbraw/zinc/31/00/16/607310016.db2.gz BDUQTCLLCGKQTF-UHFFFAOYSA-N -1 1 333.323 2.236 20 0 EEADMM COCCOc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC000821693502 607310017 /nfs/dbraw/zinc/31/00/17/607310017.db2.gz BDUQTCLLCGKQTF-UHFFFAOYSA-N -1 1 333.323 2.236 20 0 EEADMM Cc1ccn(Cc2cc(F)cc3cccnc32)c(=O)c1-c1nn[n-]n1 ZINC000822373710 607348344 /nfs/dbraw/zinc/34/83/44/607348344.db2.gz AILXUTOKDJTTFV-UHFFFAOYSA-N -1 1 336.330 2.072 20 0 EEADMM CO[C@@]1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678505 599688342 /nfs/dbraw/zinc/68/83/42/599688342.db2.gz OQLTYYARUFIYMF-PXAZEXFGSA-N -1 1 339.403 2.425 20 0 EEADMM CO[C@@]1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678505 599688343 /nfs/dbraw/zinc/68/83/43/599688343.db2.gz OQLTYYARUFIYMF-PXAZEXFGSA-N -1 1 339.403 2.425 20 0 EEADMM Fc1cccc(Oc2ncncc2Br)c1-c1nnn[n-]1 ZINC000826378129 607867169 /nfs/dbraw/zinc/86/71/69/607867169.db2.gz WNWMLXBXRNOOCM-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Fc1cccc(Oc2ncncc2Br)c1-c1nn[n-]n1 ZINC000826378129 607867170 /nfs/dbraw/zinc/86/71/70/607867170.db2.gz WNWMLXBXRNOOCM-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM Cc1conc1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000822403703 607449785 /nfs/dbraw/zinc/44/97/85/607449785.db2.gz SCCMLVPSKTYQDK-UHFFFAOYSA-N -1 1 339.315 2.108 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1cccc(Cl)c1 ZINC000833200689 600807542 /nfs/dbraw/zinc/80/75/42/600807542.db2.gz XOSTWLOUJADVOD-CYBMUJFWSA-N -1 1 333.775 2.498 20 0 EEADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC000831257822 600850432 /nfs/dbraw/zinc/85/04/32/600850432.db2.gz LZMZKOZNODFDKN-NSHDSACASA-N -1 1 348.399 2.230 20 0 EEADMM CC(C)N(CCC(=O)[O-])CC(=O)N(C)c1nc2ccccc2s1 ZINC000826946994 601009427 /nfs/dbraw/zinc/00/94/27/601009427.db2.gz NVYFRPDOLYAODT-UHFFFAOYSA-N -1 1 335.429 2.444 20 0 EEADMM CO[C@@H](C)c1cccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000831493291 601131794 /nfs/dbraw/zinc/13/17/94/601131794.db2.gz KPPHFPVANINCPZ-KGLIPLIRSA-N -1 1 349.431 2.407 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000831526618 601429742 /nfs/dbraw/zinc/42/97/42/601429742.db2.gz JVVABOKYURDAFC-HNAYVOBHSA-N -1 1 348.443 2.483 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000833175442 601446606 /nfs/dbraw/zinc/44/66/06/601446606.db2.gz QWWKEYFEMIDYJP-CRAIPNDOSA-N -1 1 333.359 2.078 20 0 EEADMM Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC000832910941 601729529 /nfs/dbraw/zinc/72/95/29/601729529.db2.gz DJSCTJXLPQBELE-IBGZPJMESA-N -1 1 342.395 2.437 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccco1 ZINC000829666940 601836644 /nfs/dbraw/zinc/83/66/44/601836644.db2.gz XAXLEXAMZYVRNM-MELADBBJSA-N -1 1 337.420 2.025 20 0 EEADMM CC(C)[C@@H]1CCCN1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826736522 601875313 /nfs/dbraw/zinc/87/53/13/601875313.db2.gz WGYVLRCZMRXCIY-HNNXBMFYSA-N -1 1 345.399 2.231 20 0 EEADMM C[C@H](C(=O)N(C)C1CCCCC1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825971597 601923716 /nfs/dbraw/zinc/92/37/16/601923716.db2.gz ADVBBRGVPYCZGU-OCCSQVGLSA-N -1 1 328.478 2.058 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000828237491 601926687 /nfs/dbraw/zinc/92/66/87/601926687.db2.gz BSSIYYNNISGHNN-QTVXIADOSA-N -1 1 342.505 2.208 20 0 EEADMM C[C@H](CCC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824402572 607540757 /nfs/dbraw/zinc/54/07/57/607540757.db2.gz XEXFKUAMMOGAHU-LLVKDONJSA-N -1 1 325.376 2.123 20 0 EEADMM C[C@H](CCC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824402572 607540758 /nfs/dbraw/zinc/54/07/58/607540758.db2.gz XEXFKUAMMOGAHU-LLVKDONJSA-N -1 1 325.376 2.123 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccco1 ZINC000829666819 602065217 /nfs/dbraw/zinc/06/52/17/602065217.db2.gz SYBMWFQIUDCSBT-DYVFJYSZSA-N -1 1 337.420 2.169 20 0 EEADMM Cc1cc(CONC(=N)[C@@H]2COc3ccccc3O2)oc1C(=O)[O-] ZINC000832886582 602160740 /nfs/dbraw/zinc/16/07/40/602160740.db2.gz ZESNGSMAUWLYTR-ZDUSSCGKSA-N -1 1 332.312 2.125 20 0 EEADMM Clc1nsc(N[C@@H]2CCN(c3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826354143 607810672 /nfs/dbraw/zinc/81/06/72/607810672.db2.gz QXAPEJNEWLZPHD-MRVPVSSYSA-N -1 1 348.823 2.062 20 0 EEADMM Clc1nsc(N[C@@H]2CCN(c3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826354143 607810673 /nfs/dbraw/zinc/81/06/73/607810673.db2.gz QXAPEJNEWLZPHD-MRVPVSSYSA-N -1 1 348.823 2.062 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCC1CC1 ZINC000826340863 607604398 /nfs/dbraw/zinc/60/43/98/607604398.db2.gz NJGZMNHCGMQWFV-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCC1CC1 ZINC000826340863 607604399 /nfs/dbraw/zinc/60/43/99/607604399.db2.gz NJGZMNHCGMQWFV-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM Cc1nc(Cl)sc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826327206 607612663 /nfs/dbraw/zinc/61/26/63/607612663.db2.gz XNEHGNSFGXWEQS-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM Cc1nc(Cl)sc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826327206 607612664 /nfs/dbraw/zinc/61/26/64/607612664.db2.gz XNEHGNSFGXWEQS-UHFFFAOYSA-N -1 1 336.764 2.037 20 0 EEADMM Cc1nc2cc(NC(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)ccc2o1 ZINC000833004019 604368850 /nfs/dbraw/zinc/36/88/50/604368850.db2.gz GOKRCAHHFCHOGZ-LLVKDONJSA-N -1 1 346.387 2.149 20 0 EEADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccnc2)c(O[C@@H]2CCOC2)c1 ZINC000832934595 605007574 /nfs/dbraw/zinc/00/75/74/605007574.db2.gz UCYWCDLNTJQKOE-SJLPKXTDSA-N -1 1 342.395 2.473 20 0 EEADMM CC(C)[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000833465456 605274954 /nfs/dbraw/zinc/27/49/54/605274954.db2.gz KFSZHFJLWBZUEK-QAPCUYQASA-N -1 1 332.444 2.434 20 0 EEADMM CC(C)C[C@H](NC(=O)CN[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833478744 605289799 /nfs/dbraw/zinc/28/97/99/605289799.db2.gz VKKNEZLAFBSSJS-YGRLFVJLSA-N -1 1 328.359 2.231 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(Cc3ccccc3C)CC2)O1 ZINC000833580654 605315839 /nfs/dbraw/zinc/31/58/39/605315839.db2.gz QNMYAWSUPLERCQ-KRWDZBQOSA-N -1 1 330.428 2.260 20 0 EEADMM CC(=O)NC[C@@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833397029 605371884 /nfs/dbraw/zinc/37/18/84/605371884.db2.gz UMZUXKVSTHZOPM-XHDPSFHLSA-N -1 1 342.798 2.453 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000819971358 606063482 /nfs/dbraw/zinc/06/34/82/606063482.db2.gz JAJXPNAIYYZNGV-MDZDMXLPSA-N -1 1 337.387 2.470 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C=Cc2ccccc2)n1 ZINC000819971358 606063487 /nfs/dbraw/zinc/06/34/87/606063487.db2.gz JAJXPNAIYYZNGV-MDZDMXLPSA-N -1 1 337.387 2.470 20 0 EEADMM O=C(CSc1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823066310 606195965 /nfs/dbraw/zinc/19/59/65/606195965.db2.gz UMWLUIJKSUFPHX-UHFFFAOYSA-N -1 1 345.359 2.442 20 0 EEADMM CCOc1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1 ZINC000821418284 606236938 /nfs/dbraw/zinc/23/69/38/606236938.db2.gz YSTJESWGURCIJN-UHFFFAOYSA-N -1 1 344.400 2.307 20 0 EEADMM CCOc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1 ZINC000821418284 606236940 /nfs/dbraw/zinc/23/69/40/606236940.db2.gz YSTJESWGURCIJN-UHFFFAOYSA-N -1 1 344.400 2.307 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CSc2ccccc21 ZINC000823294881 606298500 /nfs/dbraw/zinc/29/85/00/606298500.db2.gz VXBMMVVNDRFOMU-LLVKDONJSA-N -1 1 339.380 2.400 20 0 EEADMM Clc1ccc(N(Cc2ccccn2)C2CC2)nc1-c1nnn[n-]1 ZINC000822574160 606442334 /nfs/dbraw/zinc/44/23/34/606442334.db2.gz PHUGSAMITZDTFF-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(N(Cc2ccccn2)C2CC2)nc1-c1nn[n-]n1 ZINC000822574160 606442336 /nfs/dbraw/zinc/44/23/36/606442336.db2.gz PHUGSAMITZDTFF-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820380521 606595744 /nfs/dbraw/zinc/59/57/44/606595744.db2.gz VRNRADJNNCDJBP-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820380521 606595745 /nfs/dbraw/zinc/59/57/45/606595745.db2.gz VRNRADJNNCDJBP-QMMMGPOBSA-N -1 1 346.782 2.136 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1Cc2ccccc2S1 ZINC000823436076 606650467 /nfs/dbraw/zinc/65/04/67/606650467.db2.gz GBLYHHLTOLWIHO-AWEZNQCLSA-N -1 1 339.380 2.022 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1Cc2ccccc2S1 ZINC000823436076 606650468 /nfs/dbraw/zinc/65/04/68/606650468.db2.gz GBLYHHLTOLWIHO-AWEZNQCLSA-N -1 1 339.380 2.022 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000822229286 606692894 /nfs/dbraw/zinc/69/28/94/606692894.db2.gz RDQJCBGYOVDZAP-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000822229286 606692895 /nfs/dbraw/zinc/69/28/95/606692895.db2.gz RDQJCBGYOVDZAP-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000819834615 606812009 /nfs/dbraw/zinc/81/20/09/606812009.db2.gz OXAAOGTVWPTIJG-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000819834615 606812010 /nfs/dbraw/zinc/81/20/10/606812010.db2.gz OXAAOGTVWPTIJG-UHFFFAOYSA-N -1 1 342.746 2.370 20 0 EEADMM CN(CCc1nccs1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825949856 607810857 /nfs/dbraw/zinc/81/08/57/607810857.db2.gz BYKQODJNKDBTIT-UHFFFAOYSA-N -1 1 327.826 2.112 20 0 EEADMM CN(CCc1nccs1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825949856 607810858 /nfs/dbraw/zinc/81/08/58/607810858.db2.gz BYKQODJNKDBTIT-UHFFFAOYSA-N -1 1 327.826 2.112 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1F ZINC000826418375 607865782 /nfs/dbraw/zinc/86/57/82/607865782.db2.gz CTSLEOTUHSDEBX-UHFFFAOYSA-N -1 1 331.282 2.162 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1F ZINC000826418375 607865783 /nfs/dbraw/zinc/86/57/83/607865783.db2.gz CTSLEOTUHSDEBX-UHFFFAOYSA-N -1 1 331.282 2.162 20 0 EEADMM CC(C)c1cc(Oc2cccc(F)c2-c2nnn[n-]2)n2ncnc2n1 ZINC000824347851 607866402 /nfs/dbraw/zinc/86/64/02/607866402.db2.gz PPXOFBPWKRNCLQ-UHFFFAOYSA-N -1 1 340.322 2.359 20 0 EEADMM CC(C)c1cc(Oc2cccc(F)c2-c2nn[n-]n2)n2ncnc2n1 ZINC000824347851 607866403 /nfs/dbraw/zinc/86/64/03/607866403.db2.gz PPXOFBPWKRNCLQ-UHFFFAOYSA-N -1 1 340.322 2.359 20 0 EEADMM Cn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccc1 ZINC000826356289 607895828 /nfs/dbraw/zinc/89/58/28/607895828.db2.gz KFXRBANSRKRXPI-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM Cn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccc1 ZINC000826356289 607895829 /nfs/dbraw/zinc/89/58/29/607895829.db2.gz KFXRBANSRKRXPI-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000826514070 607897613 /nfs/dbraw/zinc/89/76/13/607897613.db2.gz GNIQLUICNAVOJN-GFCCVEGCSA-N -1 1 338.375 2.254 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000826514070 607897614 /nfs/dbraw/zinc/89/76/14/607897614.db2.gz GNIQLUICNAVOJN-GFCCVEGCSA-N -1 1 338.375 2.254 20 0 EEADMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824070952 608115611 /nfs/dbraw/zinc/11/56/11/608115611.db2.gz FAFKSOMDDKYHAR-JOYOIKCWSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824070952 608115612 /nfs/dbraw/zinc/11/56/12/608115612.db2.gz FAFKSOMDDKYHAR-JOYOIKCWSA-N -1 1 335.433 2.252 20 0 EEADMM O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1c([O-])cccc1F ZINC000826402409 608167986 /nfs/dbraw/zinc/16/79/86/608167986.db2.gz SXCHSGWSMZVNND-HJWRWDBZSA-N -1 1 325.303 2.363 20 0 EEADMM Cc1cc(C)c(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826262883 608325919 /nfs/dbraw/zinc/32/59/19/608325919.db2.gz BSIBXHACFZVVFP-UHFFFAOYSA-N -1 1 337.383 2.473 20 0 EEADMM Cc1cc(C)c(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826262883 608325921 /nfs/dbraw/zinc/32/59/21/608325921.db2.gz BSIBXHACFZVVFP-UHFFFAOYSA-N -1 1 337.383 2.473 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824191410 608425247 /nfs/dbraw/zinc/42/52/47/608425247.db2.gz DEPJODPFFZOJKS-CQSZACIVSA-N -1 1 327.367 2.475 20 0 EEADMM CC(C)[C@@H](Cc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824191410 608425248 /nfs/dbraw/zinc/42/52/48/608425248.db2.gz DEPJODPFFZOJKS-CQSZACIVSA-N -1 1 327.367 2.475 20 0 EEADMM CN1Cc2cc(Oc3cccc(F)c3-c3nnn[n-]3)ccc2C1=O ZINC000826044213 608553615 /nfs/dbraw/zinc/55/36/15/608553615.db2.gz CKVMXUOMUYYLLY-UHFFFAOYSA-N -1 1 325.303 2.384 20 0 EEADMM CN1Cc2cc(Oc3cccc(F)c3-c3nn[n-]n3)ccc2C1=O ZINC000826044213 608553617 /nfs/dbraw/zinc/55/36/17/608553617.db2.gz CKVMXUOMUYYLLY-UHFFFAOYSA-N -1 1 325.303 2.384 20 0 EEADMM Cc1nc(SCc2cc(-c3nn[nH]n3)ccc2F)[n-]c(=O)c1C ZINC000826327516 609182533 /nfs/dbraw/zinc/18/25/33/609182533.db2.gz KMDDQOQLCIVJOZ-UHFFFAOYSA-N -1 1 332.364 2.411 20 0 EEADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824045942 609290015 /nfs/dbraw/zinc/29/00/15/609290015.db2.gz PPNCDVGQJPKUMO-SECBINFHSA-N -1 1 341.350 2.176 20 0 EEADMM Cc1onc(CC(=O)NC2CC(C)(C)CC(C)(C)C2)c1-c1nnn[n-]1 ZINC000826346138 609472190 /nfs/dbraw/zinc/47/21/90/609472190.db2.gz DKUMTRZLQJOCPF-UHFFFAOYSA-N -1 1 346.435 2.427 20 0 EEADMM Cc1onc(CC(=O)NC2CC(C)(C)CC(C)(C)C2)c1-c1nn[n-]n1 ZINC000826346138 609472193 /nfs/dbraw/zinc/47/21/93/609472193.db2.gz DKUMTRZLQJOCPF-UHFFFAOYSA-N -1 1 346.435 2.427 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C/C(Cl)=C/Cl)C1 ZINC000969542052 675098209 /nfs/dbraw/zinc/09/82/09/675098209.db2.gz DFZWOMSCQXRNGS-QQCYMQAYSA-N -1 1 330.215 2.156 20 0 EEADMM O=C(NC[C@H]1CCN1Cc1cc(O)ccc1Cl)c1ncccc1[O-] ZINC001038195458 676100783 /nfs/dbraw/zinc/10/07/83/676100783.db2.gz UGGJHFWNLMBMPD-GFCCVEGCSA-N -1 1 347.802 2.151 20 0 EEADMM Cc1nc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C ZINC000055159895 676327541 /nfs/dbraw/zinc/32/75/41/676327541.db2.gz CLFQFCMPKXLCHP-UHFFFAOYSA-N -1 1 341.414 2.089 20 0 EEADMM O=C(NC[C@H]1CCCCN1Cc1nccs1)c1ncccc1[O-] ZINC001024407395 679891991 /nfs/dbraw/zinc/89/19/91/679891991.db2.gz NJNLWADKZOTGAT-GFCCVEGCSA-N -1 1 332.429 2.028 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC1CCCC1 ZINC000984801446 685277227 /nfs/dbraw/zinc/27/72/27/685277227.db2.gz QOLDXOCJXWATDZ-LSDHHAIUSA-N -1 1 345.443 2.477 20 0 EEADMM CN(C(=O)c1occc1Cl)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937220093 681724400 /nfs/dbraw/zinc/72/44/00/681724400.db2.gz LYMAUGHGIXFGSY-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM CCn1c(CNC(=O)c2ccc(-n3cccn3)cc2)n[n-]c1=S ZINC000066636374 681762919 /nfs/dbraw/zinc/76/29/19/681762919.db2.gz CCEDFUPFKHTPLR-UHFFFAOYSA-N -1 1 328.401 2.076 20 0 EEADMM CCn1c(CNC(=O)c2ccn(-c3ccccc3F)n2)n[n-]c1=S ZINC000066637162 681781251 /nfs/dbraw/zinc/78/12/51/681781251.db2.gz AFUHVDZDYTYGGQ-UHFFFAOYSA-N -1 1 346.391 2.215 20 0 EEADMM O=C(NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1=CCCCCC1 ZINC000982671660 682010712 /nfs/dbraw/zinc/01/07/12/682010712.db2.gz RSEVUBJSMWWOEU-CQSZACIVSA-N -1 1 343.427 2.256 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000936196804 682410658 /nfs/dbraw/zinc/41/06/58/682410658.db2.gz UXKVWLBFZIIOGI-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000983368246 682444340 /nfs/dbraw/zinc/44/43/40/682444340.db2.gz GZXGMKPKPIGRFD-QWHCGFSZSA-N -1 1 348.447 2.181 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)c1[O-] ZINC001025390147 682655048 /nfs/dbraw/zinc/65/50/48/682655048.db2.gz IXCLKZICVSGECL-INCYKZHSSA-N -1 1 326.828 2.007 20 0 EEADMM COCc1nc(N(C)Cc2nccn2Cc2ccccc2)cc(=O)[n-]1 ZINC000892704206 682757240 /nfs/dbraw/zinc/75/72/40/682757240.db2.gz PDLSUURXUPEEAM-UHFFFAOYSA-N -1 1 339.399 2.210 20 0 EEADMM C[C@@H]1CCN(C(=O)CCC2CC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983679065 683123293 /nfs/dbraw/zinc/12/32/93/683123293.db2.gz LUVXDDTZVPKXLU-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)n[nH]1 ZINC000153119878 683771555 /nfs/dbraw/zinc/77/15/55/683771555.db2.gz LSQASLCBAAKHMT-SECBINFHSA-N -1 1 338.820 2.313 20 0 EEADMM C/C(=C/C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983939110 683852441 /nfs/dbraw/zinc/85/24/41/683852441.db2.gz JWENFTNHDJONEV-HVCHUGMYSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1occc1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984103804 684106557 /nfs/dbraw/zinc/10/65/57/684106557.db2.gz FXIXSCPAQXJZJJ-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)c1cccs1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984110142 684112690 /nfs/dbraw/zinc/11/26/90/684112690.db2.gz ZWNNKKJWLXGJFX-GFCCVEGCSA-N -1 1 345.424 2.226 20 0 EEADMM CC(C)C(=O)N[C@@H]1[C@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1(C)C ZINC000984167815 684190039 /nfs/dbraw/zinc/19/00/39/684190039.db2.gz PHEFNAIOFNXEEZ-WQVCFCJDSA-N -1 1 345.443 2.189 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cccc(Cl)c2)o1 ZINC000042263886 693841206 /nfs/dbraw/zinc/84/12/06/693841206.db2.gz FRVLDUSQUNJFCN-UHFFFAOYSA-N -1 1 329.761 2.198 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC000984354007 684457766 /nfs/dbraw/zinc/45/77/66/684457766.db2.gz PSLRKFFNXHWRAV-ZDUSSCGKSA-N -1 1 349.406 2.133 20 0 EEADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ncccc3[O-])C2)CC=CCC1 ZINC000978743012 693864711 /nfs/dbraw/zinc/86/47/11/693864711.db2.gz QCXDJXYGKBSXBG-BIENJYKASA-N -1 1 343.427 2.158 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(C)s2)cc1 ZINC000010647601 684776735 /nfs/dbraw/zinc/77/67/35/684776735.db2.gz HDNZHQXSUPHIPS-UHFFFAOYSA-N -1 1 333.365 2.179 20 0 EEADMM CC(=O)O[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897162530 686203547 /nfs/dbraw/zinc/20/35/47/686203547.db2.gz QSDUMGDXDASMNU-CQSZACIVSA-N -1 1 329.352 2.419 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)co2)CCN1C(=O)c1ncccc1[O-] ZINC000985295434 686255030 /nfs/dbraw/zinc/25/50/30/686255030.db2.gz QBAFIRQBFAATKK-QWHCGFSZSA-N -1 1 343.383 2.112 20 0 EEADMM COc1cc(N)c(Cl)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000237280689 686519113 /nfs/dbraw/zinc/51/91/13/686519113.db2.gz SBMPXRUVJIXRCU-UHFFFAOYSA-N -1 1 335.673 2.320 20 0 EEADMM CCO[C@H]1C[C@](NC(=O)c2ccc(O)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599101 686951885 /nfs/dbraw/zinc/95/18/85/686951885.db2.gz BYEIIWVXQGBBIQ-LRDDRELGSA-N -1 1 341.791 2.434 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029913043 688265086 /nfs/dbraw/zinc/26/50/86/688265086.db2.gz WDZLBWDZUJTYBU-KBPBESRZSA-N -1 1 349.479 2.007 20 0 EEADMM CC(C)c1ocnc1CN[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000986168308 688327433 /nfs/dbraw/zinc/32/74/33/688327433.db2.gz GCXIWMHBWNEWKR-CHWSQXEVSA-N -1 1 344.415 2.291 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987003747 689210342 /nfs/dbraw/zinc/21/03/42/689210342.db2.gz PFNAPPOUYZYXTQ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(F)C(=O)N[C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987004893 689212127 /nfs/dbraw/zinc/21/21/27/689212127.db2.gz WAUPSNIPQJPCDE-LBPRGKRZSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1n[nH]cc1CN[C@H](C(=O)[O-])c1csc(Br)c1 ZINC000904072311 694284452 /nfs/dbraw/zinc/28/44/52/694284452.db2.gz YSVFSPBPSOKZTG-JTQLQIEISA-N -1 1 330.207 2.458 20 0 EEADMM CN(C[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(=O)[C@H]1CC=CCC1 ZINC000987930485 690178120 /nfs/dbraw/zinc/17/81/20/690178120.db2.gz OAYIKFHZLLMBDY-CABCVRRESA-N -1 1 343.427 2.064 20 0 EEADMM C[C@H](C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001059883237 690618266 /nfs/dbraw/zinc/61/82/66/690618266.db2.gz BRHLISKNKBXJQA-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2c(F)cccc2Cl)o1 ZINC000042263942 690842969 /nfs/dbraw/zinc/84/29/69/690842969.db2.gz QZASXNNLROWPAI-UHFFFAOYSA-N -1 1 347.751 2.337 20 0 EEADMM CCc1ccsc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000937867149 691043618 /nfs/dbraw/zinc/04/36/18/691043618.db2.gz UTYPNCPCVVBQQB-LBPRGKRZSA-N -1 1 345.424 2.056 20 0 EEADMM Cc1nnc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)n1C1CC1 ZINC000897698085 691745318 /nfs/dbraw/zinc/74/53/18/691745318.db2.gz MDGAJBPVHGWCLQ-UHFFFAOYSA-N -1 1 328.307 2.363 20 0 EEADMM Cc1cc(C)n(-c2nc(C=Cc3cn(C4CCC4)nn3)cc(=O)[n-]2)n1 ZINC000905082416 694518185 /nfs/dbraw/zinc/51/81/85/694518185.db2.gz WFUNXDOQNHSGOB-VOTSOKGWSA-N -1 1 337.387 2.472 20 0 EEADMM COc1cc2c(cc1CN1CCSC[C@H]1CC(=O)[O-])O[C@@H](C)C2 ZINC000322860847 692335356 /nfs/dbraw/zinc/33/53/56/692335356.db2.gz VAQRDYOQUMYCHL-SMDDNHRTSA-N -1 1 337.441 2.411 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ncccc2[O-])s1 ZINC000977293754 692439527 /nfs/dbraw/zinc/43/95/27/692439527.db2.gz 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CCCc1nc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])cs1 ZINC001038195581 1229685183 /nfs/dbraw/zinc/68/51/83/1229685183.db2.gz WPOOVRYILQCJAJ-ZDUSSCGKSA-N -1 1 346.456 2.201 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(Cc2csc(C3CC3)n2)C1 ZINC001042643166 1232127772 /nfs/dbraw/zinc/12/77/72/1232127772.db2.gz WRGKYHUPQUAVHO-UHFFFAOYSA-N -1 1 344.440 2.078 20 0 EEADMM COc1cccc([C@H](C)N2CC(N(C)C(=O)c3ncccc3[O-])C2)c1 ZINC001042645915 1232128401 /nfs/dbraw/zinc/12/84/01/1232128401.db2.gz GYLLIVOEBNTCAD-ZDUSSCGKSA-N -1 1 341.411 2.313 20 0 EEADMM C[C@@H]1CCCC[C@H]1OCCN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042646591 1232128652 /nfs/dbraw/zinc/12/86/52/1232128652.db2.gz SROWGUBSXHENHY-RHSMWYFYSA-N -1 1 347.459 2.139 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCN1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001042646593 1232128759 /nfs/dbraw/zinc/12/87/59/1232128759.db2.gz SROWGUBSXHENHY-YOEHRIQHSA-N -1 1 347.459 2.139 20 0 EEADMM CCOC(=O)CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000900357546 1234261704 /nfs/dbraw/zinc/26/17/04/1234261704.db2.gz XETCFAZPROMEON-UHFFFAOYSA-N -1 1 329.352 2.419 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(Cc3ccccc3Cl)C2)c1[O-] ZINC001046240613 1234586311 /nfs/dbraw/zinc/58/63/11/1234586311.db2.gz TVRYGRVQVKFKGW-KRWDZBQOSA-N -1 1 348.834 2.472 20 0 EEADMM Cc1cnc([C@@H](C)N2CC[C@@](C)(NC(=O)c3ncccc3[O-])C2)o1 ZINC001046261862 1234606170 /nfs/dbraw/zinc/60/61/70/1234606170.db2.gz HGAGYCXDEWKFOK-SJKOYZFVSA-N -1 1 330.388 2.039 20 0 EEADMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901112475 1235236290 /nfs/dbraw/zinc/23/62/90/1235236290.db2.gz VXYVHNFAPKRJCS-LLVKDONJSA-N -1 1 327.384 2.468 20 0 EEADMM CC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801325918 1235424903 /nfs/dbraw/zinc/42/49/03/1235424903.db2.gz KEDOFYMAXARTJR-MNOVXSKESA-N -1 1 349.362 2.177 20 0 EEADMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cnc(C2CC2)[n-]c1=O ZINC000901257331 1235450184 /nfs/dbraw/zinc/45/01/84/1235450184.db2.gz KKOWXDACOVHCIJ-IJLUTSLNSA-N -1 1 337.470 2.169 20 0 EEADMM Cn1nccc1COC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801360628 1235456743 /nfs/dbraw/zinc/45/67/43/1235456743.db2.gz KCQQKSMBPKNVQF-UHFFFAOYSA-N -1 1 332.747 2.322 20 0 EEADMM CCCCNC(=O)COC(=O)c1nn(-c2cccc(C)c2C)cc1[O-] ZINC000801416670 1235548258 /nfs/dbraw/zinc/54/82/58/1235548258.db2.gz KAXBPPRGCWUAOF-UHFFFAOYSA-N -1 1 345.399 2.268 20 0 EEADMM Cc1cccc(-n2cc([O-])c(C(=O)OCCC3OCCO3)n2)c1C ZINC000801418803 1235550150 /nfs/dbraw/zinc/55/01/50/1235550150.db2.gz SHYDXFJAYCVXMA-UHFFFAOYSA-N -1 1 332.356 2.115 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)Cc3ccc(-n4cccc4)cc3)ccnc1-2 ZINC000801701735 1236054152 /nfs/dbraw/zinc/05/41/52/1236054152.db2.gz VZIJNBFODCUQJQ-UHFFFAOYSA-N -1 1 331.379 2.314 20 0 EEADMM CC[C@@H](CN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901626824 1236067287 /nfs/dbraw/zinc/06/72/87/1236067287.db2.gz ONQZYBROADKPMY-DOTOQJQBSA-N -1 1 332.444 2.435 20 0 EEADMM O=S(=O)([N-]c1c(O)cccc1Cl)c1cnc2n1CCCC2 ZINC000901931262 1236660183 /nfs/dbraw/zinc/66/01/83/1236660183.db2.gz MQZUZHSXDAERHT-UHFFFAOYSA-N -1 1 327.793 2.379 20 0 EEADMM O=C([O-])C(F)(F)[C@@H]1CC[C@@H](NCc2n[nH]cc2Br)C1 ZINC000902226564 1237246325 /nfs/dbraw/zinc/24/63/25/1237246325.db2.gz PJZWKSYZPOJQPI-RNFRBKRXSA-N -1 1 338.152 2.150 20 0 EEADMM CCc1ccc([C@@H]2CCCN(Cc3cn(CC(=O)[O-])nn3)C2)cc1 ZINC000902307845 1237376243 /nfs/dbraw/zinc/37/62/43/1237376243.db2.gz UMLLXOMDQXIASC-MRXNPFEDSA-N -1 1 328.416 2.305 20 0 EEADMM CC(C)[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001413453400 1237621849 /nfs/dbraw/zinc/62/18/49/1237621849.db2.gz FJYBQZQZWYAKHT-TZMCWYRMSA-N -1 1 335.448 2.340 20 0 EEADMM CC/C=C(\C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001056358052 1239254906 /nfs/dbraw/zinc/25/49/06/1239254906.db2.gz WOVWIOPBCFYNET-ZCIHOMHXSA-N -1 1 343.427 2.349 20 0 EEADMM COc1cccc(OC)c1S(=O)(=O)[N-]c1c(Cl)c(C)nn1C ZINC000903165697 1239912107 /nfs/dbraw/zinc/91/21/07/1239912107.db2.gz LCMPOHBSRUIDGY-UHFFFAOYSA-N -1 1 345.808 2.200 20 0 EEADMM CN(C)C(=O)c1c[nH]nc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001413535727 1241071679 /nfs/dbraw/zinc/07/16/79/1241071679.db2.gz CRSGUBYSKGVGSE-UHFFFAOYSA-N -1 1 342.277 2.088 20 0 EEADMM C[C@@H]1C[C@H](C)N(Cc2ccc(S(C)(=O)=O)cc2)[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952485 1242679567 /nfs/dbraw/zinc/67/95/67/1242679567.db2.gz ZEJXNEJNEAOQMW-DVZHBHJUSA-N -1 1 339.457 2.410 20 0 EEADMM CCC[C@@H]1C[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)CCO1 ZINC000780166158 1243595666 /nfs/dbraw/zinc/59/56/66/1243595666.db2.gz VTINGPOKHQTOLY-GHMZBOCLSA-N -1 1 325.327 2.194 20 0 EEADMM Cc1ccc2ncnc(N[C@@H](C)CNC(=O)c3ncccc3[O-])c2c1 ZINC001097765500 1244583218 /nfs/dbraw/zinc/58/32/18/1244583218.db2.gz UAOFWGHIIIKPGS-LBPRGKRZSA-N -1 1 337.383 2.269 20 0 EEADMM Cc1cccc2nc(NCCN(C)C(=O)c3ncccc3[O-])oc21 ZINC001101561377 1245963344 /nfs/dbraw/zinc/96/33/44/1245963344.db2.gz TWDDLJJQLDFCRG-UHFFFAOYSA-N -1 1 326.356 2.421 20 0 EEADMM Cc1nccc(N[C@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])n1 ZINC001058007548 1248256657 /nfs/dbraw/zinc/25/66/57/1248256657.db2.gz WQHZMSYILALQIW-TZMCWYRMSA-N -1 1 341.415 2.381 20 0 EEADMM CC[C@H](C)C(=O)N1CCC(CC)(NC(=O)c2ncccc2[O-])CC1 ZINC001069187310 1252427460 /nfs/dbraw/zinc/42/74/60/1252427460.db2.gz RJMUUIDHCAQOLE-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCC1(NC(=O)C2CC(C)C2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322400 1252743832 /nfs/dbraw/zinc/74/38/32/1252743832.db2.gz CGHKTDPOEVIXDM-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H](C)C(=O)NC1(CC)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322821 1252744853 /nfs/dbraw/zinc/74/48/53/1252744853.db2.gz RNXMXQPYDJFKSL-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cc(CN2C[C@H](NC(=O)c3ncccc3[O-])CC[C@@H]2C)sn1 ZINC001071455341 1254212841 /nfs/dbraw/zinc/21/28/41/1254212841.db2.gz ZDSAIVJMQWSTOC-QWHCGFSZSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)Nc1cccc(F)n1 ZINC001098205275 1257622607 /nfs/dbraw/zinc/62/26/07/1257622607.db2.gz AYHPITJTPGYASS-JTQLQIEISA-N -1 1 347.394 2.379 20 0 EEADMM COC(=O)c1n[nH]c2cccc(NC(=O)c3ccc([O-])c(F)c3)c21 ZINC001186226842 1278994095 /nfs/dbraw/zinc/99/40/95/1278994095.db2.gz RPPRWBACTHCMPA-UHFFFAOYSA-N -1 1 329.287 2.447 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001186218242 1279010461 /nfs/dbraw/zinc/01/04/61/1279010461.db2.gz AVFUMHKFSKRVRX-HNNXBMFYSA-N -1 1 348.761 2.498 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001186327632 1279041939 /nfs/dbraw/zinc/04/19/39/1279041939.db2.gz SMRIWHJIFHNVON-UHFFFAOYSA-N -1 1 340.358 2.370 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)C1CC(Oc2ccccc2)C1 ZINC001186860373 1279294673 /nfs/dbraw/zinc/29/46/73/1279294673.db2.gz IFNRESJGRMPIBV-UHFFFAOYSA-N -1 1 330.300 2.082 20 0 EEADMM CCOCCS(=O)(=O)[N-]c1cc(OC)cc(C(F)(F)F)c1 ZINC001187279867 1279475062 /nfs/dbraw/zinc/47/50/62/1279475062.db2.gz PMIJLYOLIFOTRZ-UHFFFAOYSA-N -1 1 327.324 2.492 20 0 EEADMM COc1ccc2c(c1)SC[C@@H]([N-]S(=O)(=O)c1nccs1)C2 ZINC001187923142 1279707816 /nfs/dbraw/zinc/70/78/16/1279707816.db2.gz GVPHHLUBLDPCSX-JTQLQIEISA-N -1 1 342.467 2.147 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC001188016814 1279748617 /nfs/dbraw/zinc/74/86/17/1279748617.db2.gz RMQYCZPKUNLIFP-UHFFFAOYSA-N -1 1 344.262 2.067 20 0 EEADMM COC(=O)CCS(=O)(=O)[N-]c1cc(OC(F)(F)F)ccc1F ZINC001188380409 1279856350 /nfs/dbraw/zinc/85/63/50/1279856350.db2.gz FVYQNWVKDASYRY-UHFFFAOYSA-N -1 1 345.270 2.029 20 0 EEADMM COc1cccc(C)c1C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001188784973 1280010221 /nfs/dbraw/zinc/01/02/21/1280010221.db2.gz CRFLZBWPTXRKBF-UHFFFAOYSA-N -1 1 331.332 2.215 20 0 EEADMM COC(=O)c1cc(O)cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC001189235693 1280192068 /nfs/dbraw/zinc/19/20/68/1280192068.db2.gz REDROCHPMBGZLW-UHFFFAOYSA-N -1 1 349.364 2.182 20 0 EEADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189691322 1280449961 /nfs/dbraw/zinc/44/99/61/1280449961.db2.gz TUULFRMKWYJAPH-UHFFFAOYSA-N -1 1 344.314 2.145 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cccc3c2C(=O)N(C)C3)c(OC)c1 ZINC001190146553 1280681498 /nfs/dbraw/zinc/68/14/98/1280681498.db2.gz YPUMHDCAMVELQX-UHFFFAOYSA-N -1 1 342.351 2.247 20 0 EEADMM O=C(Nc1nc2c(s1)CCC2)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190617284 1280959656 /nfs/dbraw/zinc/95/96/56/1280959656.db2.gz CZOGEVRFXLRKQW-UHFFFAOYSA-N -1 1 339.380 2.442 20 0 EEADMM O=C(Nc1ccc2c(c1)OCO2)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190618004 1280960998 /nfs/dbraw/zinc/96/09/98/1280960998.db2.gz MFDKGJNPNCFSQR-UHFFFAOYSA-N -1 1 336.307 2.225 20 0 EEADMM O=S(=O)([N-]c1ccnc(Cl)c1Br)c1ncc[nH]1 ZINC001190689715 1281020347 /nfs/dbraw/zinc/02/03/47/1281020347.db2.gz PPHDIWQTGCIYPO-UHFFFAOYSA-N -1 1 337.586 2.021 20 0 EEADMM COC(C)(CNC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)OC ZINC001191509092 1281426621 /nfs/dbraw/zinc/42/66/21/1281426621.db2.gz CNWBGXFVBNBOPJ-UHFFFAOYSA-N -1 1 343.379 2.362 20 0 EEADMM COC(=O)C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccn1 ZINC001192556305 1282033797 /nfs/dbraw/zinc/03/37/97/1282033797.db2.gz 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Fc1ccc(OCc2cnc(-c3ccccc3)nc2)c(-c2nn[n-]n2)n1 ZINC001592652513 1349697770 /nfs/dbraw/zinc/69/77/70/1349697770.db2.gz MQPTVNOQZDPAQH-UHFFFAOYSA-N -1 1 349.329 2.437 20 0 EEADMM Cc1cc(Br)c(CN2CCC([C@@H](O)C(=O)[O-])CC2)s1 ZINC001600068857 1349965361 /nfs/dbraw/zinc/96/53/61/1349965361.db2.gz XVADOTYHSGMQGM-GFCCVEGCSA-N -1 1 348.262 2.477 20 0 EEADMM O=C([O-])[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1c(F)cccc1Cl ZINC001608547880 1351714065 /nfs/dbraw/zinc/71/40/65/1351714065.db2.gz JCRUBULESAQDBQ-RNCFNFMXSA-N -1 1 349.811 2.019 20 0 EEADMM CO[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)C(F)(F)F ZINC001605008818 1351052832 /nfs/dbraw/zinc/05/28/32/1351052832.db2.gz XZOSOEWMVGQGGQ-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM CO[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC001605008818 1351052835 /nfs/dbraw/zinc/05/28/35/1351052835.db2.gz XZOSOEWMVGQGGQ-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM COc1ccc(Cl)cc1[C@H](O)CNc1cccc(-c2nnn[n-]2)n1 ZINC001605290167 1351127041 /nfs/dbraw/zinc/12/70/41/1351127041.db2.gz UABYVNAHIBYYNS-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccc(Cl)cc1[C@H](O)CNc1cccc(-c2nn[n-]n2)n1 ZINC001605290167 1351127044 /nfs/dbraw/zinc/12/70/44/1351127044.db2.gz UABYVNAHIBYYNS-GFCCVEGCSA-N -1 1 346.778 2.069 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC001605804991 1351225657 /nfs/dbraw/zinc/22/56/57/1351225657.db2.gz NFMKRYPXAVTGPU-UJKQEGAGSA-N -1 1 336.399 2.075 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)o1 ZINC001605840876 1351233384 /nfs/dbraw/zinc/23/33/84/1351233384.db2.gz YAMWBVKYMZOXRJ-MRVPVSSYSA-N -1 1 332.389 2.300 20 0 EEADMM Cc1ccc([C@@H](C)C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)o1 ZINC001605840876 1351233386 /nfs/dbraw/zinc/23/33/86/1351233386.db2.gz YAMWBVKYMZOXRJ-MRVPVSSYSA-N -1 1 332.389 2.300 20 0 EEADMM NS(=O)(=O)c1cc([N-]C(=O)c2ncoc2-c2ccccc2)cs1 ZINC001302683456 1331331412 /nfs/dbraw/zinc/33/14/12/1331331412.db2.gz CONCPRPOVNWQIF-UHFFFAOYSA-N -1 1 349.393 2.303 20 0 EEADMM NCc1nccnc1NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001608258782 1351658114 /nfs/dbraw/zinc/65/81/14/1351658114.db2.gz OYCOHXDOOBKAOU-HNNXBMFYSA-N -1 1 336.395 2.444 20 0 EEADMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(OC)ns2)C1(C)C ZINC001309274163 1331624321 /nfs/dbraw/zinc/62/43/21/1331624321.db2.gz GJGFQRWHLROLFG-WDEREUQCSA-N -1 1 348.490 2.414 20 0 EEADMM CSc1nc(CNC(=O)Nc2cnc3[nH]ccc3c2)cc(=O)[n-]1 ZINC001311198711 1331766527 /nfs/dbraw/zinc/76/65/27/1331766527.db2.gz XPUIMMINYPGMST-UHFFFAOYSA-N -1 1 330.373 2.054 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])Cc1nsc2ccccc12 ZINC001317443925 1332243297 /nfs/dbraw/zinc/24/32/97/1332243297.db2.gz FNICNCLJGWEKKT-UHFFFAOYSA-N -1 1 342.424 2.259 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)NCc2ccc3sccc3c2)on1 ZINC001608861434 1351780853 /nfs/dbraw/zinc/78/08/53/1351780853.db2.gz MXNMBLNTGUKOMV-UHFFFAOYSA-N -1 1 338.366 2.066 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)nn1 ZINC001608905181 1351791092 /nfs/dbraw/zinc/79/10/92/1351791092.db2.gz FAPOPTSCSFTYCE-FPLPWBNLSA-N -1 1 339.760 2.241 20 0 EEADMM CC(C)(C)c1ccc([C@@H](O)CNc2ncncc2-c2nn[n-]n2)cc1 ZINC001609080942 1351833521 /nfs/dbraw/zinc/83/35/21/1351833521.db2.gz JAIVWURXZCMUHR-AWEZNQCLSA-N -1 1 339.403 2.100 20 0 EEADMM CC(C)[C@H]1C[C@@H](CNC(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001609091762 1351838811 /nfs/dbraw/zinc/83/88/11/1351838811.db2.gz UJAGUAJDPANNQF-CMPLNLGQSA-N -1 1 335.433 2.109 20 0 EEADMM CC(C)C[C@@H](C)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001609092419 1351839081 /nfs/dbraw/zinc/83/90/81/1351839081.db2.gz JVPCMCFSJNLWDB-LLVKDONJSA-N -1 1 340.391 2.068 20 0 EEADMM CC(C)OCc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001609101857 1351843373 /nfs/dbraw/zinc/84/33/73/1351843373.db2.gz QEDMDPZWHQZISA-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM CC(C)OCc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001609101857 1351843375 /nfs/dbraw/zinc/84/33/75/1351843375.db2.gz QEDMDPZWHQZISA-UHFFFAOYSA-N -1 1 338.371 2.439 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC2(CCCC2)O1 ZINC001609171952 1351876029 /nfs/dbraw/zinc/87/60/29/1351876029.db2.gz MJMNYZUXFDEBOS-SNVBAGLBSA-N -1 1 333.417 2.102 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC2(CCCC2)O1 ZINC001609171952 1351876032 /nfs/dbraw/zinc/87/60/32/1351876032.db2.gz MJMNYZUXFDEBOS-SNVBAGLBSA-N -1 1 333.417 2.102 20 0 EEADMM C[C@@H]1CN(c2cccc(F)c2)CCN1c1cccc(-c2nnn[n-]2)n1 ZINC001609175515 1351878172 /nfs/dbraw/zinc/87/81/72/1351878172.db2.gz SNHGKXQWZQTPDS-GFCCVEGCSA-N -1 1 339.378 2.116 20 0 EEADMM C[C@@H]1CN(c2cccc(F)c2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001609175515 1351878175 /nfs/dbraw/zinc/87/81/75/1351878175.db2.gz SNHGKXQWZQTPDS-GFCCVEGCSA-N -1 1 339.378 2.116 20 0 EEADMM CCCCC[C@@H](NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001609209113 1351892361 /nfs/dbraw/zinc/89/23/61/1351892361.db2.gz MJBYROPEHKZPDN-NWDGAFQWSA-N -1 1 348.455 2.130 20 0 EEADMM O=C(COCc1ccncc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC001326553675 1334114107 /nfs/dbraw/zinc/11/41/07/1334114107.db2.gz ZOIKSWJWKQXNEK-UHFFFAOYSA-N -1 1 341.319 2.154 20 0 EEADMM CCN(CCc1ccccn1)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609224987 1351900641 /nfs/dbraw/zinc/90/06/41/1351900641.db2.gz NGSAUEAKULEAEU-UHFFFAOYSA-N -1 1 328.401 2.028 20 0 EEADMM CCCn1c(C)cc(C(=O)COc2cccnc2-c2nnn[n-]2)c1C ZINC001609218402 1351898891 /nfs/dbraw/zinc/89/88/91/1351898891.db2.gz DFELXOSWPCSLSY-UHFFFAOYSA-N -1 1 340.387 2.352 20 0 EEADMM CCCn1c(C)cc(C(=O)COc2cccnc2-c2nn[n-]n2)c1C ZINC001609218402 1351898894 /nfs/dbraw/zinc/89/88/94/1351898894.db2.gz DFELXOSWPCSLSY-UHFFFAOYSA-N -1 1 340.387 2.352 20 0 EEADMM CCOc1c(Cl)cc(CNc2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC001609242107 1351905769 /nfs/dbraw/zinc/90/57/69/1351905769.db2.gz OPJACCCCYLOUHJ-UHFFFAOYSA-N -1 1 349.782 2.263 20 0 EEADMM CCOc1c(Cl)cc(CNc2n[nH]cc2-c2nn[n-]n2)cc1OC ZINC001609242107 1351905771 /nfs/dbraw/zinc/90/57/71/1351905771.db2.gz OPJACCCCYLOUHJ-UHFFFAOYSA-N -1 1 349.782 2.263 20 0 EEADMM CCOc1cccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)c1 ZINC001609245846 1351907378 /nfs/dbraw/zinc/90/73/78/1351907378.db2.gz OLIVZIRHNXJKFX-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM CCOc1cccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001609245846 1351907386 /nfs/dbraw/zinc/90/73/86/1351907386.db2.gz OLIVZIRHNXJKFX-UHFFFAOYSA-N -1 1 330.373 2.283 20 0 EEADMM COc1ccc(NC(=O)NC/C=C/C2CC2)cc1[N-]S(C)(=O)=O ZINC001328123023 1334400884 /nfs/dbraw/zinc/40/08/84/1334400884.db2.gz VWFCNNGEGDUMOV-ONEGZZNKSA-N -1 1 339.417 2.154 20 0 EEADMM COc1ccc(C2(CNc3cnc(-c4nnn[n-]4)cn3)CCC2)cc1 ZINC001609353500 1351942854 /nfs/dbraw/zinc/94/28/54/1351942854.db2.gz DBKIWMVGUITWPJ-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM COc1ccc(C2(CNc3cnc(-c4nn[n-]n4)cn3)CCC2)cc1 ZINC001609353500 1351942855 /nfs/dbraw/zinc/94/28/55/1351942855.db2.gz DBKIWMVGUITWPJ-UHFFFAOYSA-N -1 1 337.387 2.199 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(Cc2cccc(F)c2)C2CC2)n1 ZINC001609391904 1351958105 /nfs/dbraw/zinc/95/81/05/1351958105.db2.gz ZPRBSNLUMXVBAY-UHFFFAOYSA-N -1 1 325.351 2.273 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(Cc2cccc(F)c2)C2CC2)n1 ZINC001609391904 1351958108 /nfs/dbraw/zinc/95/81/08/1351958108.db2.gz ZPRBSNLUMXVBAY-UHFFFAOYSA-N -1 1 325.351 2.273 20 0 EEADMM Cc1cc(COc2cnc(-c3nn[n-]n3)nc2)ccc1Br ZINC001609402458 1351961987 /nfs/dbraw/zinc/96/19/87/1351961987.db2.gz FSWASBINRXIUAK-UHFFFAOYSA-N -1 1 347.176 2.307 20 0 EEADMM Cc1ccc(NCc2ccccc2Cn2cccn2)nc1-c1nnn[n-]1 ZINC001609426107 1351972126 /nfs/dbraw/zinc/97/21/26/1351972126.db2.gz DTKLSHWJTVTWLG-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1ccc(NCc2ccccc2Cn2cccn2)nc1-c1nn[n-]n1 ZINC001609426107 1351972129 /nfs/dbraw/zinc/97/21/29/1351972129.db2.gz DTKLSHWJTVTWLG-UHFFFAOYSA-N -1 1 346.398 2.427 20 0 EEADMM Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ncncc1-c1nn[n-]n1)CC3 ZINC001609428846 1351972891 /nfs/dbraw/zinc/97/28/91/1351972891.db2.gz ZZMGERSSBWVKBX-LLVKDONJSA-N -1 1 346.398 2.416 20 0 EEADMM Clc1cnn(CCSCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001609474744 1351991862 /nfs/dbraw/zinc/99/18/62/1351991862.db2.gz QLXMBJYPOJPKIU-UHFFFAOYSA-N -1 1 327.826 2.107 20 0 EEADMM Clc1cnn(CCSCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001609474744 1351991866 /nfs/dbraw/zinc/99/18/66/1351991866.db2.gz QLXMBJYPOJPKIU-UHFFFAOYSA-N -1 1 327.826 2.107 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC12CCC2 ZINC001609483687 1351993916 /nfs/dbraw/zinc/99/39/16/1351993916.db2.gz QMCMRSILADNLPK-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC12CCC2 ZINC001609483687 1351993919 /nfs/dbraw/zinc/99/39/19/1351993919.db2.gz QMCMRSILADNLPK-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM Fc1ccc(Oc2nc(C(F)(F)F)ns2)c(-c2nn[n-]n2)n1 ZINC001609491068 1351996829 /nfs/dbraw/zinc/99/68/29/1351996829.db2.gz AOMPHHVLOJJCOG-UHFFFAOYSA-N -1 1 333.230 2.063 20 0 EEADMM O=C(CCCOc1ccccc1)OCc1cccnc1-c1nnn[n-]1 ZINC001609523226 1352004303 /nfs/dbraw/zinc/00/43/03/1352004303.db2.gz LWRSXQUCBOWSCA-UHFFFAOYSA-N -1 1 339.355 2.164 20 0 EEADMM O=C(CCCOc1ccccc1)OCc1cccnc1-c1nn[n-]n1 ZINC001609523226 1352004306 /nfs/dbraw/zinc/00/43/06/1352004306.db2.gz LWRSXQUCBOWSCA-UHFFFAOYSA-N -1 1 339.355 2.164 20 0 EEADMM CN(C(=O)C(C)(C)c1csc(-c2cccs2)n1)c1nn[n-]n1 ZINC001332603624 1335859972 /nfs/dbraw/zinc/85/99/72/1335859972.db2.gz DTJYORUFSGFXIF-UHFFFAOYSA-N -1 1 334.430 2.325 20 0 EEADMM O=C(Oc1cccc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001609579325 1352025681 /nfs/dbraw/zinc/02/56/81/1352025681.db2.gz PYFABOJJDWQZES-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(Oc1cccc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001609579325 1352025684 /nfs/dbraw/zinc/02/56/84/1352025684.db2.gz PYFABOJJDWQZES-UHFFFAOYSA-N -1 1 335.245 2.500 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CCSC2(CCCCC2)C1 ZINC001609582297 1352026421 /nfs/dbraw/zinc/02/64/21/1352026421.db2.gz UUJLWDQVBDAKGM-UHFFFAOYSA-N -1 1 333.417 2.352 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CCSC2(CCCCC2)C1 ZINC001609582297 1352026424 /nfs/dbraw/zinc/02/64/24/1352026424.db2.gz UUJLWDQVBDAKGM-UHFFFAOYSA-N -1 1 333.417 2.352 20 0 EEADMM O=C(OCc1ccc2ncccc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001609577075 1352023728 /nfs/dbraw/zinc/02/37/28/1352023728.db2.gz STMNNJLBZWUPMB-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccc2ncccc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001609577075 1352023734 /nfs/dbraw/zinc/02/37/34/1352023734.db2.gz STMNNJLBZWUPMB-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=S(=O)([N-]c1ccccc1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001609596043 1352030164 /nfs/dbraw/zinc/03/01/64/1352030164.db2.gz CVIASOBJYOGOHW-UHFFFAOYSA-N -1 1 335.776 2.321 20 0 EEADMM CSCC[C@H](NC(=O)c1[nH]ccc1-c1ccccc1)c1nn[n-]n1 ZINC001333408857 1336038861 /nfs/dbraw/zinc/03/88/61/1336038861.db2.gz DIBBYBRLLJKNMT-ZDUSSCGKSA-N -1 1 342.428 2.419 20 0 EEADMM CC(C)(C)n1ncnc1CN[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001609672595 1352055260 /nfs/dbraw/zinc/05/52/60/1352055260.db2.gz BPUBKFAAODYWSA-ZDUSSCGKSA-N -1 1 336.823 2.472 20 0 EEADMM CC1(C)CN(CCOc2cccc(C(=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC001609819221 1352093255 /nfs/dbraw/zinc/09/32/55/1352093255.db2.gz SCHIZXZFWOAVLZ-SFHVURJKSA-N -1 1 335.400 2.034 20 0 EEADMM O=C(c1ccc(F)c2cccnc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001338995049 1336942182 /nfs/dbraw/zinc/94/21/82/1336942182.db2.gz DWVWPKNGFAYLAI-JTQLQIEISA-N -1 1 342.330 2.482 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC001609871364 1352108141 /nfs/dbraw/zinc/10/81/41/1352108141.db2.gz NKZMPRPFPJLEFW-GFCCVEGCSA-N -1 1 325.478 2.421 20 0 EEADMM CCCN(C(=O)NCCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC001609972452 1352133367 /nfs/dbraw/zinc/13/33/67/1352133367.db2.gz CQDFQJQLLXQJPE-MRXNPFEDSA-N -1 1 333.432 2.053 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC001347663364 1337517900 /nfs/dbraw/zinc/51/79/00/1337517900.db2.gz UPXPUYMXPZCHGJ-LLVKDONJSA-N -1 1 336.244 2.483 20 0 EEADMM CCOC(=O)C1(COC)CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001610012718 1352140764 /nfs/dbraw/zinc/14/07/64/1352140764.db2.gz NWTCDPFYVWILTH-UHFFFAOYSA-N -1 1 339.388 2.078 20 0 EEADMM CCOC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001610019251 1352142077 /nfs/dbraw/zinc/14/20/77/1352142077.db2.gz GHYSSJJKCUJOPN-ZANVPECISA-N -1 1 344.770 2.425 20 0 EEADMM CCOc1ccc(-c2noc(CN[C@H]3CCC[C@H]3C(=O)[O-])n2)cc1 ZINC001610040505 1352147581 /nfs/dbraw/zinc/14/75/81/1352147581.db2.gz HBNLAXAQIPBATE-KGLIPLIRSA-N -1 1 331.372 2.478 20 0 EEADMM CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(C(=O)[O-])n3)cccc21 ZINC001610099021 1352161726 /nfs/dbraw/zinc/16/17/26/1352161726.db2.gz UITFBPUWKHTHQA-HNNXBMFYSA-N -1 1 341.367 2.417 20 0 EEADMM CO[C@H]1CCN(Cc2cccc(O)c2Br)[C@H](C(=O)[O-])C1 ZINC001610238731 1352192572 /nfs/dbraw/zinc/19/25/72/1352192572.db2.gz YOWMNBNMRUKECZ-QWRGUYRKSA-N -1 1 344.205 2.219 20 0 EEADMM COCCCCN(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001610256577 1352195050 /nfs/dbraw/zinc/19/50/50/1352195050.db2.gz VDOZBDVGCNCMGC-UHFFFAOYSA-N -1 1 328.434 2.360 20 0 EEADMM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)ccc2cncn21 ZINC001610406051 1352217758 /nfs/dbraw/zinc/21/77/58/1352217758.db2.gz DIHNEQIUPGUANJ-GOSISDBHSA-N -1 1 338.367 2.158 20 0 EEADMM CC1(CC(=O)N[C@@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001413994560 1339056894 /nfs/dbraw/zinc/05/68/94/1339056894.db2.gz VHZRGFRCOMQLNI-KGLIPLIRSA-N -1 1 343.427 2.135 20 0 EEADMM Cc1[nH]ncc1C1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001610549373 1352243188 /nfs/dbraw/zinc/24/31/88/1352243188.db2.gz IDQOHRHEKXEHSB-UHFFFAOYSA-N -1 1 330.388 2.381 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(OC)OC ZINC000849405091 1339155821 /nfs/dbraw/zinc/15/58/21/1339155821.db2.gz FNOFNUMOXWFZFJ-GFCCVEGCSA-N -1 1 339.816 2.296 20 0 EEADMM O=C([O-])[C@@H]1CN(CN2C[C@H]3CCC[C@@H]3C2=O)C[C@@H]1c1ccccc1 ZINC001610802781 1352277067 /nfs/dbraw/zinc/27/70/67/1352277067.db2.gz VSBDXUAGMMMXDT-YYIAUSFCSA-N -1 1 328.412 2.003 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)C=C2)c1ccc(F)cc1 ZINC000034256916 1352326237 /nfs/dbraw/zinc/32/62/37/1352326237.db2.gz UYBWCFPVEQWTGH-UHFFFAOYSA-N -1 1 339.369 2.385 20 0 EEADMM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(C)ns1 ZINC001434561178 1341873757 /nfs/dbraw/zinc/87/37/57/1341873757.db2.gz BIWWHGBAMBYKGH-LBPRGKRZSA-N -1 1 346.474 2.242 20 0 EEADMM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c[nH]nc2Cl)c1 ZINC000830703641 1372343624 /nfs/dbraw/zinc/34/36/24/1372343624.db2.gz HAIUUFRSAVQAKL-SNVBAGLBSA-N -1 1 329.809 2.117 20 0 EEADMM CC(C)Oc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001574342222 1343673759 /nfs/dbraw/zinc/67/37/59/1343673759.db2.gz PIIPTWBSBNSWFC-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)Oc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001574342222 1343673763 /nfs/dbraw/zinc/67/37/63/1343673763.db2.gz PIIPTWBSBNSWFC-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC/C(C)=C\C(=O)N(CC)CCNc1snc(C)c1-c1nn[n-]n1 ZINC001576558716 1344032609 /nfs/dbraw/zinc/03/26/09/1344032609.db2.gz XPTKPTPZFKHRAO-KTKRTIGZSA-N -1 1 349.464 2.248 20 0 EEADMM CCSc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)ccn1 ZINC001578417507 1344276435 /nfs/dbraw/zinc/27/64/35/1344276435.db2.gz NPSGTDMZCFQMFZ-UHFFFAOYSA-N -1 1 327.373 2.021 20 0 EEADMM CCSc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)ccn1 ZINC001578417507 1344276439 /nfs/dbraw/zinc/27/64/39/1344276439.db2.gz NPSGTDMZCFQMFZ-UHFFFAOYSA-N -1 1 327.373 2.021 20 0 EEADMM COc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001580027008 1344451078 /nfs/dbraw/zinc/45/10/78/1344451078.db2.gz GNLYKXREJZNSFJ-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM COc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001580027008 1344451081 /nfs/dbraw/zinc/45/10/81/1344451081.db2.gz GNLYKXREJZNSFJ-UHFFFAOYSA-N -1 1 336.808 2.275 20 0 EEADMM COc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1OC ZINC001580044049 1344456697 /nfs/dbraw/zinc/45/66/97/1344456697.db2.gz SNRAPOZYVRULJK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM COc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1OC ZINC001580044049 1344456699 /nfs/dbraw/zinc/45/66/99/1344456699.db2.gz SNRAPOZYVRULJK-UHFFFAOYSA-N -1 1 331.357 2.198 20 0 EEADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(C(F)(F)F)nc1 ZINC001580441802 1344520828 /nfs/dbraw/zinc/52/08/28/1344520828.db2.gz VVJHIVQHMFKNIO-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)nc1 ZINC001580441802 1344520834 /nfs/dbraw/zinc/52/08/34/1344520834.db2.gz VVJHIVQHMFKNIO-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM Cc1nc2cc(OC(=O)c3csc(-c4nn[n-]n4)c3)ccc2n1C ZINC001581532589 1344636262 /nfs/dbraw/zinc/63/62/62/1344636262.db2.gz OKNWLGNITPHEIF-UHFFFAOYSA-N -1 1 340.368 2.343 20 0 EEADMM Cc1nsc(NC/C=C/CNC(=O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001581714302 1344657937 /nfs/dbraw/zinc/65/79/37/1344657937.db2.gz LPJMRBNADQIYKP-AATRIKPKSA-N -1 1 349.464 2.152 20 0 EEADMM Cn1ccnc1Sc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001581799935 1344668072 /nfs/dbraw/zinc/66/80/72/1344668072.db2.gz AOLBGYPOOMTZOX-UHFFFAOYSA-N -1 1 327.295 2.165 20 0 EEADMM Cn1ccnc1Sc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001581799935 1344668076 /nfs/dbraw/zinc/66/80/76/1344668076.db2.gz AOLBGYPOOMTZOX-UHFFFAOYSA-N -1 1 327.295 2.165 20 0 EEADMM O=C(CSCc1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582133102 1344705028 /nfs/dbraw/zinc/70/50/28/1344705028.db2.gz QPWQFMUJHMSGFI-UHFFFAOYSA-N -1 1 344.375 2.273 20 0 EEADMM O=C(CSCc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582133102 1344705030 /nfs/dbraw/zinc/70/50/30/1344705030.db2.gz QPWQFMUJHMSGFI-UHFFFAOYSA-N -1 1 344.375 2.273 20 0 EEADMM O=C(Cc1cccc(Cl)c1Cl)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582146640 1344706666 /nfs/dbraw/zinc/70/66/66/1344706666.db2.gz AXYJVPIPVXZQRW-UHFFFAOYSA-N -1 1 338.158 2.078 20 0 EEADMM O=C(NCCc1ccc(F)c(F)c1)c1csc(-c2nn[n-]n2)c1 ZINC001582526797 1344757987 /nfs/dbraw/zinc/75/79/87/1344757987.db2.gz XKTFQJVXMBCTJI-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H](O)C1CCCCCCC1 ZINC001582548905 1344760852 /nfs/dbraw/zinc/76/08/52/1344760852.db2.gz YYACHFUDXFNPDW-AWEZNQCLSA-N -1 1 349.460 2.266 20 0 EEADMM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC001582642396 1344775596 /nfs/dbraw/zinc/77/55/96/1344775596.db2.gz IKXAZDLDEMNAFH-UHFFFAOYSA-N -1 1 348.366 2.423 20 0 EEADMM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC001582642396 1344775604 /nfs/dbraw/zinc/77/56/04/1344775604.db2.gz IKXAZDLDEMNAFH-UHFFFAOYSA-N -1 1 348.366 2.423 20 0 EEADMM CC(=CC(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001588765723 1348932340 /nfs/dbraw/zinc/93/23/40/1348932340.db2.gz JUMQROIITONIHD-VURMDHGXSA-N -1 1 327.323 2.079 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNc2cccnc2-c2nnn[n-]2)CCC1 ZINC001589177260 1348966706 /nfs/dbraw/zinc/96/67/06/1348966706.db2.gz WKRTXXCEDPHCMH-UHFFFAOYSA-N -1 1 345.407 2.121 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNc2cccnc2-c2nn[n-]n2)CCC1 ZINC001589177260 1348966707 /nfs/dbraw/zinc/96/67/07/1348966707.db2.gz WKRTXXCEDPHCMH-UHFFFAOYSA-N -1 1 345.407 2.121 20 0 EEADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(CN3CCCC3)o2)n1 ZINC001589678179 1349019240 /nfs/dbraw/zinc/01/92/40/1349019240.db2.gz YJAYSPGAMIIXNZ-UHFFFAOYSA-N -1 1 346.387 2.144 20 0 EEADMM CC(C)OC(=O)[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)C ZINC001589735522 1349025217 /nfs/dbraw/zinc/02/52/17/1349025217.db2.gz CIJOXHFQPZAOTF-ZETCQYMHSA-N -1 1 344.828 2.365 20 0 EEADMM CC(C)SCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001589761419 1349032894 /nfs/dbraw/zinc/03/28/94/1349032894.db2.gz PNEWYFKZJGZHDO-UHFFFAOYSA-N -1 1 330.417 2.219 20 0 EEADMM CC(NC(=O)NCc1ccc(-c2nn[n-]n2)s1)(C1CC1)C1CC1 ZINC001589935809 1349069104 /nfs/dbraw/zinc/06/91/04/1349069104.db2.gz MGPKUSAULLPAHK-UHFFFAOYSA-N -1 1 332.433 2.306 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001590086345 1349145070 /nfs/dbraw/zinc/14/50/70/1349145070.db2.gz IHNJJBMFQYTRHN-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)C[C@]1(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001590086345 1349145074 /nfs/dbraw/zinc/14/50/74/1349145074.db2.gz IHNJJBMFQYTRHN-IBGZPJMESA-N -1 1 348.410 2.359 20 0 EEADMM CC1(C)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)[C@H]1C1CC1 ZINC001590102358 1349156760 /nfs/dbraw/zinc/15/67/60/1349156760.db2.gz NDZBOXTUPSPTDN-LBPRGKRZSA-N -1 1 332.433 2.258 20 0 EEADMM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4nnn[n-]4)n3)C2)C1 ZINC001590242232 1349221888 /nfs/dbraw/zinc/22/18/88/1349221888.db2.gz UQUFPLBBUSIONZ-BDJLRTHQSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4nn[n-]n4)n3)C2)C1 ZINC001590242232 1349221896 /nfs/dbraw/zinc/22/18/96/1349221896.db2.gz UQUFPLBBUSIONZ-BDJLRTHQSA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590253516 1349229344 /nfs/dbraw/zinc/22/93/44/1349229344.db2.gz IHRJYTALCRUERF-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590253516 1349229348 /nfs/dbraw/zinc/22/93/48/1349229348.db2.gz IHRJYTALCRUERF-NXEZZACHSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]2CCCC[C@@H]12 ZINC001590293079 1349248797 /nfs/dbraw/zinc/24/87/97/1349248797.db2.gz BPYSXNGNHWAOSO-MDZLAQPJSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]2CCCC[C@@H]12 ZINC001590293079 1349248801 /nfs/dbraw/zinc/24/88/01/1349248801.db2.gz BPYSXNGNHWAOSO-MDZLAQPJSA-N -1 1 327.392 2.304 20 0 EEADMM CC[C@H](C)CN(CC)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590411086 1349310653 /nfs/dbraw/zinc/31/06/53/1349310653.db2.gz URIVOCUDVASRON-JTQLQIEISA-N -1 1 333.396 2.170 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CC1(C)C ZINC001590470005 1349343998 /nfs/dbraw/zinc/34/39/98/1349343998.db2.gz NAZYYBSWHTULHI-RKDXNWHRSA-N -1 1 341.462 2.031 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CC1(C)C ZINC001590470005 1349344008 /nfs/dbraw/zinc/34/40/08/1349344008.db2.gz NAZYYBSWHTULHI-RKDXNWHRSA-N -1 1 341.462 2.031 20 0 EEADMM CCC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CCOCC1 ZINC001590496257 1349355629 /nfs/dbraw/zinc/35/56/29/1349355629.db2.gz PBURVPLHRVIHGB-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM CCC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CCOCC1 ZINC001590496257 1349355632 /nfs/dbraw/zinc/35/56/32/1349355632.db2.gz PBURVPLHRVIHGB-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590512661 1349361501 /nfs/dbraw/zinc/36/15/01/1349361501.db2.gz WIGCCDTXKYMZJK-WCQYABFASA-N -1 1 330.392 2.186 20 0 EEADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590512661 1349361507 /nfs/dbraw/zinc/36/15/07/1349361507.db2.gz WIGCCDTXKYMZJK-WCQYABFASA-N -1 1 330.392 2.186 20 0 EEADMM CCCCc1cnc(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc1 ZINC001590614197 1349377113 /nfs/dbraw/zinc/37/71/13/1349377113.db2.gz IQICPTZPICJMKG-UHFFFAOYSA-N -1 1 329.389 2.313 20 0 EEADMM CCCCc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc1 ZINC001590614197 1349377118 /nfs/dbraw/zinc/37/71/18/1349377118.db2.gz IQICPTZPICJMKG-UHFFFAOYSA-N -1 1 329.389 2.313 20 0 EEADMM CCCNC(=O)c1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001590638336 1349382441 /nfs/dbraw/zinc/38/24/41/1349382441.db2.gz HVESILWUWYZJQV-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM CCCNC(=O)c1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001590638336 1349382446 /nfs/dbraw/zinc/38/24/46/1349382446.db2.gz HVESILWUWYZJQV-UHFFFAOYSA-N -1 1 337.387 2.014 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001590677844 1349386650 /nfs/dbraw/zinc/38/66/50/1349386650.db2.gz FYVGMUBNKRHZKL-LLVKDONJSA-N -1 1 338.371 2.191 20 0 EEADMM CCc1nc(NC[C@@H](C)c2c(C)noc2C)cc(-c2nnn[n-]2)n1 ZINC001590917737 1349412864 /nfs/dbraw/zinc/41/28/64/1349412864.db2.gz ZTSLYGBPSFDYPD-MRVPVSSYSA-N -1 1 328.380 2.040 20 0 EEADMM CCc1nc(NC[C@@H](C)c2c(C)noc2C)cc(-c2nn[n-]n2)n1 ZINC001590917737 1349412871 /nfs/dbraw/zinc/41/28/71/1349412871.db2.gz ZTSLYGBPSFDYPD-MRVPVSSYSA-N -1 1 328.380 2.040 20 0 EEADMM CCc1nc(Sc2ccc3c(c2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC001590923782 1349413544 /nfs/dbraw/zinc/41/35/44/1349413544.db2.gz BWEDACFGQLSISD-UHFFFAOYSA-N -1 1 342.384 2.142 20 0 EEADMM CCc1nc(Sc2ccc3c(c2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC001590923782 1349413546 /nfs/dbraw/zinc/41/35/46/1349413546.db2.gz BWEDACFGQLSISD-UHFFFAOYSA-N -1 1 342.384 2.142 20 0 EEADMM CCc1nc(NCc2c(F)cc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001590923082 1349414656 /nfs/dbraw/zinc/41/46/56/1349414656.db2.gz PDZMZMVHGUCUDX-UHFFFAOYSA-N -1 1 335.293 2.249 20 0 EEADMM CCc1nc(NCc2c(F)cc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001590923082 1349414663 /nfs/dbraw/zinc/41/46/63/1349414663.db2.gz PDZMZMVHGUCUDX-UHFFFAOYSA-N -1 1 335.293 2.249 20 0 EEADMM CCc1nn(Cc2cc(F)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929762 1349416138 /nfs/dbraw/zinc/41/61/38/1349416138.db2.gz SDHOAERDQSHUHQ-UHFFFAOYSA-N -1 1 342.378 2.044 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)N(CC)CC3)cc(-c2nnn[n-]2)n1 ZINC001590925774 1349416485 /nfs/dbraw/zinc/41/64/85/1349416485.db2.gz WVDNQJDUSYQTQT-UHFFFAOYSA-N -1 1 336.403 2.345 20 0 EEADMM CCc1nc(Nc2ccc3c(c2)N(CC)CC3)cc(-c2nn[n-]n2)n1 ZINC001590925774 1349416492 /nfs/dbraw/zinc/41/64/92/1349416492.db2.gz WVDNQJDUSYQTQT-UHFFFAOYSA-N -1 1 336.403 2.345 20 0 EEADMM CO[C@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001591355471 1349470395 /nfs/dbraw/zinc/47/03/95/1349470395.db2.gz YROVIYCHLZWZHE-VIFPVBQESA-N -1 1 342.325 2.286 20 0 EEADMM CO[C@H]1CCCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001591355471 1349470400 /nfs/dbraw/zinc/47/04/00/1349470400.db2.gz YROVIYCHLZWZHE-VIFPVBQESA-N -1 1 342.325 2.286 20 0 EEADMM COc1cc(F)c(F)cc1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001591540116 1349502712 /nfs/dbraw/zinc/50/27/12/1349502712.db2.gz MDMAWFZOVIOYCX-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1cc(F)c(F)cc1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001591540116 1349502717 /nfs/dbraw/zinc/50/27/17/1349502717.db2.gz MDMAWFZOVIOYCX-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM Cc1cc(CNc2ccnc(-c3nnn[n-]3)c2)ccc1Br ZINC001591970221 1349571679 /nfs/dbraw/zinc/57/16/79/1349571679.db2.gz ALOMZUNXFDHMQZ-UHFFFAOYSA-N -1 1 345.204 2.367 20 0 EEADMM Cc1cc(CNc2ccnc(-c3nn[n-]n3)c2)ccc1Br ZINC001591970221 1349571684 /nfs/dbraw/zinc/57/16/84/1349571684.db2.gz ALOMZUNXFDHMQZ-UHFFFAOYSA-N -1 1 345.204 2.367 20 0 EEADMM Cc1[nH]nc(NC(=O)c2csc3ccccc23)c1-c1nn[n-]n1 ZINC001592330593 1349622213 /nfs/dbraw/zinc/62/22/13/1349622213.db2.gz KGTROKYAAHJPIG-UHFFFAOYSA-N -1 1 325.357 2.365 20 0 EEADMM Cc1nsc(N2CCC[C@@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001592474451 1349634725 /nfs/dbraw/zinc/63/47/25/1349634725.db2.gz KOWLCEYGZBMYPF-GFCCVEGCSA-N -1 1 334.449 2.275 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001592503514 1349640764 /nfs/dbraw/zinc/64/07/64/1349640764.db2.gz PTKNLWUVMLZDBW-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001592503514 1349640767 /nfs/dbraw/zinc/64/07/67/1349640767.db2.gz PTKNLWUVMLZDBW-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc3ccsc32)n1 ZINC001592559858 1349657379 /nfs/dbraw/zinc/65/73/79/1349657379.db2.gz GZMNAOVXTNVVSL-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc3ccsc32)n1 ZINC001592559858 1349657381 /nfs/dbraw/zinc/65/73/81/1349657381.db2.gz GZMNAOVXTNVVSL-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592595832 1349664810 /nfs/dbraw/zinc/66/48/10/1349664810.db2.gz IKMOKBDSHRWSNU-UHFFFAOYSA-N -1 1 341.375 2.493 20 0 EEADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592595832 1349664814 /nfs/dbraw/zinc/66/48/14/1349664814.db2.gz IKMOKBDSHRWSNU-UHFFFAOYSA-N -1 1 341.375 2.493 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)CCO2)cc1 ZINC001592647045 1349693278 /nfs/dbraw/zinc/69/32/78/1349693278.db2.gz HJOGXMHWRLWZGJ-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM O=C(COCC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592886815 1349722219 /nfs/dbraw/zinc/72/22/19/1349722219.db2.gz XLGXOUHYMBLYBJ-UHFFFAOYSA-N -1 1 342.812 2.122 20 0 EEADMM O=C(COc1ccccc1Cl)OCc1cccnc1-c1nnn[n-]1 ZINC001592899610 1349725682 /nfs/dbraw/zinc/72/56/82/1349725682.db2.gz MRWLCOZUOKTXBZ-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(COc1ccccc1Cl)OCc1cccnc1-c1nn[n-]n1 ZINC001592899610 1349725684 /nfs/dbraw/zinc/72/56/84/1349725684.db2.gz MRWLCOZUOKTXBZ-UHFFFAOYSA-N -1 1 345.746 2.037 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1csc(-c2nn[n-]n2)c1 ZINC001592950109 1349729881 /nfs/dbraw/zinc/72/98/81/1349729881.db2.gz SSLJRCJFKSCGCX-AAEUAGOBSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1coc(-c2nnn[n-]2)c1 ZINC001592982247 1349731466 /nfs/dbraw/zinc/73/14/66/1349731466.db2.gz GNCVCCZJYXHSAU-ZDUSSCGKSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(N[C@H]1CCCc2c(F)cccc21)c1coc(-c2nn[n-]n2)c1 ZINC001592982247 1349731467 /nfs/dbraw/zinc/73/14/67/1349731467.db2.gz GNCVCCZJYXHSAU-ZDUSSCGKSA-N -1 1 327.319 2.406 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001593243912 1349748145 /nfs/dbraw/zinc/74/81/45/1349748145.db2.gz RQMFDIXEPPVKDI-RKDXNWHRSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001593243912 1349748151 /nfs/dbraw/zinc/74/81/51/1349748151.db2.gz RQMFDIXEPPVKDI-RKDXNWHRSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(Oc2ccccc2)nc1 ZINC001593261273 1349753811 /nfs/dbraw/zinc/75/38/11/1349753811.db2.gz VFYNPWJEODMCQM-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NC1(C2CCC2)CC1 ZINC001593264245 1349754912 /nfs/dbraw/zinc/75/49/12/1349754912.db2.gz MRLLLNCAIJIPDP-UHFFFAOYSA-N -1 1 339.812 2.431 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCC[C@H](F)C1 ZINC001593263805 1349755290 /nfs/dbraw/zinc/75/52/90/1349755290.db2.gz FPTDLITYASDLFE-NTSWFWBYSA-N -1 1 345.791 2.379 20 0 EEADMM O=C([O-])[C@H]1CCCCCC[C@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593274961 1349758441 /nfs/dbraw/zinc/75/84/41/1349758441.db2.gz SHUWKDUWXDAMPA-NWDGAFQWSA-N -1 1 335.433 2.441 20 0 EEADMM O=C([O-])[C@H](CCc1ccccc1)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593279245 1349759771 /nfs/dbraw/zinc/75/97/71/1349759771.db2.gz ZSSJAAUOTLNAQV-ZDUSSCGKSA-N -1 1 343.412 2.104 20 0 EEADMM O=C(OC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284851 1349762894 /nfs/dbraw/zinc/76/28/94/1349762894.db2.gz UIZZHVLSGONWQY-SCZZXKLOSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OC[C@H]1CCC[C@@H](C(F)(F)F)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284851 1349762896 /nfs/dbraw/zinc/76/28/96/1349762896.db2.gz UIZZHVLSGONWQY-SCZZXKLOSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OCc1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001593299239 1349771729 /nfs/dbraw/zinc/77/17/29/1349771729.db2.gz QYFXXKBCYSDHBG-UHFFFAOYSA-N -1 1 336.311 2.002 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2=O ZINC001593302163 1349773947 /nfs/dbraw/zinc/77/39/47/1349773947.db2.gz RWSRSFFRFIIORX-UHFFFAOYSA-N -1 1 349.350 2.138 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2=O ZINC001593302163 1349773952 /nfs/dbraw/zinc/77/39/52/1349773952.db2.gz RWSRSFFRFIIORX-UHFFFAOYSA-N -1 1 349.350 2.138 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2ccc(F)cc21 ZINC001593327653 1349781231 /nfs/dbraw/zinc/78/12/31/1349781231.db2.gz CGOSDALMXASQMS-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2ccc(F)cc21 ZINC001593327653 1349781239 /nfs/dbraw/zinc/78/12/39/1349781239.db2.gz CGOSDALMXASQMS-UHFFFAOYSA-N -1 1 345.284 2.487 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccsc2)CC1 ZINC001593336838 1349783825 /nfs/dbraw/zinc/78/38/25/1349783825.db2.gz FVBWVYQBNJNOPE-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccsc2)CC1 ZINC001593336838 1349783830 /nfs/dbraw/zinc/78/38/30/1349783830.db2.gz FVBWVYQBNJNOPE-UHFFFAOYSA-N -1 1 340.412 2.343 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593347599 1349787420 /nfs/dbraw/zinc/78/74/20/1349787420.db2.gz BGOOZRUHQBXEQS-HNNXBMFYSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC001593347599 1349787423 /nfs/dbraw/zinc/78/74/23/1349787423.db2.gz BGOOZRUHQBXEQS-HNNXBMFYSA-N -1 1 347.382 2.024 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@]2(CC2(F)F)C1 ZINC001593371003 1349792092 /nfs/dbraw/zinc/79/20/92/1349792092.db2.gz JIVXZWJUYWUETO-LBPRGKRZSA-N -1 1 325.344 2.190 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1nc3ccccc3o1)CCCC2 ZINC001593490085 1349817290 /nfs/dbraw/zinc/81/72/90/1349817290.db2.gz AXCIDJSQNLOYLX-UHFFFAOYSA-N -1 1 348.366 2.097 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC001593492091 1349818033 /nfs/dbraw/zinc/81/80/33/1349818033.db2.gz BIEMSPDRFPVNKO-SNGWPZLWSA-N -1 1 348.410 2.164 20 0 EEADMM O=c1c(C(F)(F)F)cccn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593494222 1349819964 /nfs/dbraw/zinc/81/99/64/1349819964.db2.gz KWBXWDXGARISBV-UHFFFAOYSA-N -1 1 327.291 2.157 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001593496806 1349820301 /nfs/dbraw/zinc/82/03/01/1349820301.db2.gz YNPBBWWVMDXSDN-CVEARBPZSA-N -1 1 337.383 2.339 20 0 EEADMM OC1(C[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001593511682 1349826312 /nfs/dbraw/zinc/82/63/12/1349826312.db2.gz ZRQCIDNMXZTHIT-CYBMUJFWSA-N -1 1 343.435 2.101 20 0 EEADMM c1ccc2c(c1)N(Cc1cccc(-c3nnn[n-]3)n1)CCN2C1CC1 ZINC001593554563 1349846904 /nfs/dbraw/zinc/84/69/04/1349846904.db2.gz BTZMWSKQBYGOKW-UHFFFAOYSA-N -1 1 333.399 2.251 20 0 EEADMM c1ccc2c(c1)N(Cc1cccc(-c3nn[n-]n3)n1)CCN2C1CC1 ZINC001593554563 1349846907 /nfs/dbraw/zinc/84/69/07/1349846907.db2.gz BTZMWSKQBYGOKW-UHFFFAOYSA-N -1 1 333.399 2.251 20 0 EEADMM Cn1nncc1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001597782037 1349931551 /nfs/dbraw/zinc/93/15/51/1349931551.db2.gz BLPZISQMTXUZHM-UHFFFAOYSA-N -1 1 348.160 2.084 20 0 EEADMM Cc1c(F)cccc1NC(=O)CCNCc1ncc(C(=O)[O-])s1 ZINC001600022917 1349956867 /nfs/dbraw/zinc/95/68/67/1349956867.db2.gz ZYVVODXZXBLCSH-UHFFFAOYSA-N -1 1 337.376 2.407 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC001600158010 1349982539 /nfs/dbraw/zinc/98/25/39/1349982539.db2.gz VDXQOLOBHZMWKD-LLVKDONJSA-N -1 1 328.372 2.404 20 0 EEADMM Cc1cc(C)c2c(c1)C[N@@H+]([C@H]1CCCN(CCC(=O)[O-])C1=O)CC2 ZINC001600165458 1349983787 /nfs/dbraw/zinc/98/37/87/1349983787.db2.gz YUDACGFTDKCEID-KRWDZBQOSA-N -1 1 330.428 2.127 20 0 EEADMM Cc1cc(C)c2c(c1)CN([C@H]1CCCN(CCC(=O)[O-])C1=O)CC2 ZINC001600165458 1349983790 /nfs/dbraw/zinc/98/37/90/1349983790.db2.gz YUDACGFTDKCEID-KRWDZBQOSA-N -1 1 330.428 2.127 20 0 EEADMM Cc1cc(CN2CCCN(Cc3cc(C(=O)[O-])c(C)n3C)CC2)no1 ZINC001600194934 1349989961 /nfs/dbraw/zinc/98/99/61/1349989961.db2.gz DYFBHWDPFJVYPK-UHFFFAOYSA-N -1 1 346.431 2.036 20 0 EEADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001600241172 1350000344 /nfs/dbraw/zinc/00/03/44/1350000344.db2.gz WTLISJYTUGOFID-UHFFFAOYSA-N -1 1 343.383 2.290 20 0 EEADMM Cc1cc2ccccc2nc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001600309683 1350017329 /nfs/dbraw/zinc/01/73/29/1350017329.db2.gz SAEMVFNQBSKMSM-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)n[nH]2)c(C)c1 ZINC001600312389 1350017695 /nfs/dbraw/zinc/01/76/95/1350017695.db2.gz MWPFAXVBSVIDQC-WBMJQRKESA-N -1 1 343.383 2.008 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C)[C@H](C(C)(C)C)C1 ZINC001600356688 1350028444 /nfs/dbraw/zinc/02/84/44/1350028444.db2.gz LELUSVJZHVICFI-INIZCTEOSA-N -1 1 347.459 2.294 20 0 EEADMM Cc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC001600405118 1350042027 /nfs/dbraw/zinc/04/20/27/1350042027.db2.gz BJFHIURXWGQXMP-MRXNPFEDSA-N -1 1 332.444 2.243 20 0 EEADMM Cc1cccc(CN2CCCC[C@@H]2C(=O)N[C@H](C)/C=C/C(=O)[O-])c1 ZINC001600532941 1350075881 /nfs/dbraw/zinc/07/58/81/1350075881.db2.gz FOWCJJHGHPVPGK-FKLRVFMWSA-N -1 1 330.428 2.495 20 0 EEADMM Cc1csc2nc(CN3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc(=O)n12 ZINC001600665558 1350113066 /nfs/dbraw/zinc/11/30/66/1350113066.db2.gz YVZMICIOGGJQRA-RDBSUJKOSA-N -1 1 347.440 2.140 20 0 EEADMM Cc1nc2cccc(C(=O)Nc3cnn(C(C)(C)C(=O)[O-])c3)c2[nH]1 ZINC001600721522 1350120664 /nfs/dbraw/zinc/12/06/64/1350120664.db2.gz ZWFJUCMFQMHBOX-UHFFFAOYSA-N -1 1 327.344 2.140 20 0 EEADMM Cc1oc(C)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)c1C(=O)[O-] ZINC001600838790 1350148818 /nfs/dbraw/zinc/14/88/18/1350148818.db2.gz QKNAZDYHUKYKAG-UHFFFAOYSA-N -1 1 339.373 2.309 20 0 EEADMM O=C([O-])c1ccc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC001601302894 1350253028 /nfs/dbraw/zinc/25/30/28/1350253028.db2.gz BHTXBHKHQFQGIJ-SNPRPXQTSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)c1cccc(O)c1 ZINC001601435016 1350283322 /nfs/dbraw/zinc/28/33/22/1350283322.db2.gz ZZRHGWRYAMEEHF-KRWDZBQOSA-N -1 1 340.379 2.200 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC001601568006 1350308738 /nfs/dbraw/zinc/30/87/38/1350308738.db2.gz FSEXMTGGVCSOCN-SNVBAGLBSA-N -1 1 346.145 2.281 20 0 EEADMM O=C([O-])[C@H](Cc1cncs1)NCc1ncc(C(F)(F)F)s1 ZINC001601662206 1350331517 /nfs/dbraw/zinc/33/15/17/1350331517.db2.gz GZROTNKHTSKVEF-ZETCQYMHSA-N -1 1 337.348 2.404 20 0 EEADMM O=C([O-])[C@@]1(C(=O)Nc2n[nH]c3cc(O)ccc32)C[C@H]1c1ccccc1 ZINC001601702951 1350343277 /nfs/dbraw/zinc/34/32/77/1350343277.db2.gz PMYKFMLQCYTOQN-UGSOOPFHSA-N -1 1 337.335 2.466 20 0 EEADMM O=C([O-])C[C@@]1(NCc2sc(N3CCCC3)nc2Cl)CCOC1 ZINC001601937729 1350401791 /nfs/dbraw/zinc/40/17/91/1350401791.db2.gz BKMHAWPFORTLNX-AWEZNQCLSA-N 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/nfs/dbraw/zinc/47/87/06/1350478706.db2.gz HPOQZJLZEBZSDB-UHFFFAOYSA-N -1 1 327.384 2.496 20 0 EEADMM O=C([O-])c1cc(F)c(COC(=O)C23CCCN2CCC3)c(F)c1 ZINC001602269754 1350482110 /nfs/dbraw/zinc/48/21/10/1350482110.db2.gz WUAZNGVIWWBHIJ-UHFFFAOYSA-N -1 1 325.311 2.335 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1ccc(OCC2CC2)nc1 ZINC001602309328 1350490527 /nfs/dbraw/zinc/49/05/27/1350490527.db2.gz UPZJESPBIQUSBB-AWEZNQCLSA-N -1 1 342.399 2.390 20 0 EEADMM O=C([O-])c1ccc2c(=O)[nH]c(CN(CCO)C3CCCCC3)nc2c1 ZINC001602417040 1350514445 /nfs/dbraw/zinc/51/44/45/1350514445.db2.gz CYTWUWZOJLMFHD-UHFFFAOYSA-N -1 1 345.399 2.161 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(Cc1cccn(C(F)F)c1=O)CC2 ZINC001602422250 1350515764 /nfs/dbraw/zinc/51/57/64/1350515764.db2.gz ZQADQQYQUPUEFP-UHFFFAOYSA-N -1 1 334.322 2.500 20 0 EEADMM O=C([O-])c1cccc(OCCOC(=O)c2ccc3cncn3c2)c1 ZINC001602448925 1350521898 /nfs/dbraw/zinc/52/18/98/1350521898.db2.gz RYWRWMZKHJNDOS-UHFFFAOYSA-N -1 1 326.308 2.268 20 0 EEADMM O=C([O-])c1cccc2c1CCN([C@@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC001602457139 1350523398 /nfs/dbraw/zinc/52/33/98/1350523398.db2.gz JWYGNTRCRAXGDP-JKSUJKDBSA-N -1 1 335.375 2.377 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC001602547534 1350543672 /nfs/dbraw/zinc/54/36/72/1350543672.db2.gz MRKTWBAVMJPEOE-AWEZNQCLSA-N -1 1 344.367 2.224 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2ccc3c(c2)NC(=O)CO3)Cc2ccccc21 ZINC001602651952 1350566491 /nfs/dbraw/zinc/56/64/91/1350566491.db2.gz BSWIIMAPYRJSAV-OAHLLOKOSA-N -1 1 338.363 2.202 20 0 EEADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603060105 1350629858 /nfs/dbraw/zinc/62/98/58/1350629858.db2.gz AVDXBZWCWTVNMH-UHFFFAOYSA-N -1 1 344.753 2.326 20 0 EEADMM CC(C)(C)OCCCCn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001603102218 1350640189 /nfs/dbraw/zinc/64/01/89/1350640189.db2.gz JWDMHCARPPSCLU-UHFFFAOYSA-N -1 1 331.420 2.112 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001603465337 1350709421 /nfs/dbraw/zinc/70/94/21/1350709421.db2.gz VQGYBDRKLKXMOZ-GFCCVEGCSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001603465337 1350709426 /nfs/dbraw/zinc/70/94/26/1350709426.db2.gz VQGYBDRKLKXMOZ-GFCCVEGCSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603483607 1350711347 /nfs/dbraw/zinc/71/13/47/1350711347.db2.gz WQKISLHYWNLLBV-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@@H](CCCc1cccnc1)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603483607 1350711350 /nfs/dbraw/zinc/71/13/50/1350711350.db2.gz WQKISLHYWNLLBV-LBPRGKRZSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1nc2ccccc2s1 ZINC001603559402 1350719604 /nfs/dbraw/zinc/71/96/04/1350719604.db2.gz FBVJCKSILZLMGB-SECBINFHSA-N -1 1 338.400 2.482 20 0 EEADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1nc2ccccc2s1 ZINC001603559402 1350719607 /nfs/dbraw/zinc/71/96/07/1350719607.db2.gz FBVJCKSILZLMGB-SECBINFHSA-N -1 1 338.400 2.482 20 0 EEADMM C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1c(F)cncc1F ZINC001603649679 1350734552 /nfs/dbraw/zinc/73/45/52/1350734552.db2.gz RCQGFABNFJXFHG-ZCFIWIBFSA-N -1 1 336.327 2.092 20 0 EEADMM C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1c(F)cncc1F ZINC001603649679 1350734556 /nfs/dbraw/zinc/73/45/56/1350734556.db2.gz RCQGFABNFJXFHG-ZCFIWIBFSA-N -1 1 336.327 2.092 20 0 EEADMM C[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1nccn1C ZINC001603678167 1350740530 /nfs/dbraw/zinc/74/05/30/1350740530.db2.gz GKYIYOGILCMRLS-ZETCQYMHSA-N -1 1 338.297 2.187 20 0 EEADMM C[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1nccn1C ZINC001603678167 1350740534 /nfs/dbraw/zinc/74/05/34/1350740534.db2.gz GKYIYOGILCMRLS-ZETCQYMHSA-N -1 1 338.297 2.187 20 0 EEADMM C[C@H](OC1CCCCC1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603704613 1350746334 /nfs/dbraw/zinc/74/63/34/1350746334.db2.gz DPCPSLFPCHZZLN-VIFPVBQESA-N -1 1 337.405 2.104 20 0 EEADMM C[C@H](OC1CCCCC1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603704613 1350746337 /nfs/dbraw/zinc/74/63/37/1350746337.db2.gz 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ZINC001603923352 1350802537 /nfs/dbraw/zinc/80/25/37/1350802537.db2.gz DSEBZIFFPZEPSV-GFCCVEGCSA-N -1 1 349.398 2.455 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001603923352 1350802541 /nfs/dbraw/zinc/80/25/41/1350802541.db2.gz DSEBZIFFPZEPSV-GFCCVEGCSA-N -1 1 349.398 2.455 20 0 EEADMM CCC(CC)(CNc1cc(-c2nnn[n-]2)ncn1)C(=O)OC(C)(C)C ZINC001604020172 1350831328 /nfs/dbraw/zinc/83/13/28/1350831328.db2.gz RRSBBYURTZGIAO-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CCC(CC)(CNc1cc(-c2nn[n-]n2)ncn1)C(=O)OC(C)(C)C ZINC001604020172 1350831330 /nfs/dbraw/zinc/83/13/30/1350831330.db2.gz RRSBBYURTZGIAO-UHFFFAOYSA-N -1 1 347.423 2.217 20 0 EEADMM CCC(CC)Cn1cc(Br)cc(-c2nn[n-]n2)c1=O ZINC001604025989 1350832626 /nfs/dbraw/zinc/83/26/26/1350832626.db2.gz YARJSZFOCACAAX-UHFFFAOYSA-N -1 1 326.198 2.227 20 0 EEADMM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1O ZINC001604058748 1350842478 /nfs/dbraw/zinc/84/24/78/1350842478.db2.gz FXGHPHGNTJIOFC-SZKDQXIBSA-N -1 1 332.125 2.053 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc2nc[nH]c21)c1ccncc1 ZINC001604086585 1350851600 /nfs/dbraw/zinc/85/16/00/1350851600.db2.gz UYNVXZDZWQGCDK-QGZVFWFLSA-N -1 1 342.330 2.217 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001604134288 1350869114 /nfs/dbraw/zinc/86/91/14/1350869114.db2.gz FEQSIVUJRXHEIO-DOMZBBRYSA-N -1 1 328.420 2.231 20 0 EEADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001604134288 1350869117 /nfs/dbraw/zinc/86/91/17/1350869117.db2.gz FEQSIVUJRXHEIO-DOMZBBRYSA-N -1 1 328.420 2.231 20 0 EEADMM C[C@H](CN(CN1C[C@@](C)(c2ccccc2F)C1=O)C1CC1)C(=O)[O-] ZINC001604162117 1350879653 /nfs/dbraw/zinc/87/96/53/1350879653.db2.gz ZETKCJWEDUTIBR-XIKOKIGWSA-N -1 1 334.391 2.068 20 0 EEADMM CCCCCN(CCO)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604177037 1350884479 /nfs/dbraw/zinc/88/44/79/1350884479.db2.gz CTAGDLVUIFOWBJ-UHFFFAOYSA-N -1 1 344.341 2.269 20 0 EEADMM CCCCCN(CCO)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604177037 1350884481 /nfs/dbraw/zinc/88/44/81/1350884481.db2.gz CTAGDLVUIFOWBJ-UHFFFAOYSA-N -1 1 344.341 2.269 20 0 EEADMM CCCCCc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)n[nH]1 ZINC001604179531 1350885141 /nfs/dbraw/zinc/88/51/41/1350885141.db2.gz PSIVBDPPBDHGTN-UHFFFAOYSA-N -1 1 341.375 2.075 20 0 EEADMM CCCCCc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)n[nH]1 ZINC001604179531 1350885144 /nfs/dbraw/zinc/88/51/44/1350885144.db2.gz PSIVBDPPBDHGTN-UHFFFAOYSA-N -1 1 341.375 2.075 20 0 EEADMM C[C@@H](Cc1ccc(NC(=O)c2ccc3c(n2)CNCC3)cc1)C(=O)[O-] ZINC001604227966 1350898043 /nfs/dbraw/zinc/89/80/43/1350898043.db2.gz GBCBPIDSBSZDMN-LBPRGKRZSA-N -1 1 339.395 2.243 20 0 EEADMM CCc1ccc2c(c1)[C@@H](Nc1cc(-c3nnn[n-]3)nc(C)n1)CCO2 ZINC001604528873 1350955703 /nfs/dbraw/zinc/95/57/03/1350955703.db2.gz YREIBQRHQSXLFL-ZDUSSCGKSA-N -1 1 337.387 2.463 20 0 EEADMM CCc1ccc2c(c1)[C@@H](Nc1cc(-c3nn[n-]n3)nc(C)n1)CCO2 ZINC001604528873 1350955706 /nfs/dbraw/zinc/95/57/06/1350955706.db2.gz YREIBQRHQSXLFL-ZDUSSCGKSA-N -1 1 337.387 2.463 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC001604717125 1350991370 /nfs/dbraw/zinc/99/13/70/1350991370.db2.gz PXHPVSCSVAKCKL-KFWWJZLASA-N -1 1 325.453 2.146 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CC(C)(C)c1ccccc1 ZINC001604790506 1351004415 /nfs/dbraw/zinc/00/44/15/1351004415.db2.gz LKHXQUJOSLECIP-OAHLLOKOSA-N -1 1 332.444 2.362 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc(F)c(F)cc1Cl ZINC001604793004 1351005030 /nfs/dbraw/zinc/00/50/30/1351005030.db2.gz MIBKZKCTZNWGHE-SECBINFHSA-N -1 1 346.761 2.239 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC001604793032 1351005397 /nfs/dbraw/zinc/00/53/97/1351005397.db2.gz MXSCHEVMSCJDAA-HZSPNIEDSA-N -1 1 325.453 2.002 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(Br)s1 ZINC001604795116 1351006549 /nfs/dbraw/zinc/00/65/49/1351006549.db2.gz RWRVKOZEWMPWFS-SNVBAGLBSA-N -1 1 347.278 2.491 20 0 EEADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604810555 1351012293 /nfs/dbraw/zinc/01/22/93/1351012293.db2.gz QGMKGBNEJHJQKG-UHFFFAOYSA-N -1 1 348.370 2.407 20 0 EEADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604810555 1351012296 /nfs/dbraw/zinc/01/22/96/1351012296.db2.gz QGMKGBNEJHJQKG-UHFFFAOYSA-N -1 1 348.370 2.407 20 0 EEADMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(=O)[O-])cc1Br ZINC001604884567 1351024942 /nfs/dbraw/zinc/02/49/42/1351024942.db2.gz VNYUAGMCGMGTMH-LLVKDONJSA-N -1 1 330.178 2.442 20 0 EEADMM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC001604969845 1351041787 /nfs/dbraw/zinc/04/17/87/1351041787.db2.gz IBAJCJBITSXVOF-IAQYHMDHSA-N -1 1 331.372 2.013 20 0 EEADMM COC(=O)c1ccc(F)c(CSc2cccnc2-c2nnn[n-]2)c1 ZINC001604972237 1351042427 /nfs/dbraw/zinc/04/24/27/1351042427.db2.gz QAPQAZXDEQAIMT-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM COC(=O)c1ccc(F)c(CSc2cccnc2-c2nn[n-]n2)c1 ZINC001604972237 1351042431 /nfs/dbraw/zinc/04/24/31/1351042431.db2.gz QAPQAZXDEQAIMT-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(C(=O)[O-])c(C)o2)n[nH]1 ZINC001604975918 1351043376 /nfs/dbraw/zinc/04/33/76/1351043376.db2.gz GASAVKDIMOIXHC-RKDXNWHRSA-N -1 1 349.391 2.478 20 0 EEADMM CO[C@H](CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001605008111 1351051798 /nfs/dbraw/zinc/05/17/98/1351051798.db2.gz FUHIIZRTQIOKSV-SNVBAGLBSA-N -1 1 328.298 2.117 20 0 EEADMM CO[C@H](CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001605008111 1351051802 /nfs/dbraw/zinc/05/18/02/1351051802.db2.gz FUHIIZRTQIOKSV-SNVBAGLBSA-N -1 1 328.298 2.117 20 0 EEADMM CCC1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC001605171430 1351094512 /nfs/dbraw/zinc/09/45/12/1351094512.db2.gz KURGNCBDFNBYBX-KRWDZBQOSA-N -1 1 330.428 2.147 20 0 EEADMM COc1ccc([C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001605263192 1351119184 /nfs/dbraw/zinc/11/91/84/1351119184.db2.gz LFVLLNZTEAQRTA-OAHLLOKOSA-N -1 1 339.355 2.349 20 0 EEADMM COc1ccc([C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC001605263192 1351119185 /nfs/dbraw/zinc/11/91/85/1351119185.db2.gz LFVLLNZTEAQRTA-OAHLLOKOSA-N -1 1 339.355 2.349 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)OC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001605266426 1351120066 /nfs/dbraw/zinc/12/00/66/1351120066.db2.gz SLFAFETUANEKTA-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc(C)cc1[C@@H](C)OC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605266426 1351120067 /nfs/dbraw/zinc/12/00/67/1351120067.db2.gz SLFAFETUANEKTA-LLVKDONJSA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc2ccccc2c1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001605310861 1351132161 /nfs/dbraw/zinc/13/21/61/1351132161.db2.gz BMWIWLZMXVUPBL-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1ccc2ccccc2c1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001605310861 1351132165 /nfs/dbraw/zinc/13/21/65/1351132165.db2.gz BMWIWLZMXVUPBL-UHFFFAOYSA-N -1 1 333.355 2.431 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001605325830 1351137565 /nfs/dbraw/zinc/13/75/65/1351137565.db2.gz YAMQMGLHGTUQNR-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001605325830 1351137568 /nfs/dbraw/zinc/13/75/68/1351137568.db2.gz YAMQMGLHGTUQNR-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM COc1ncc(NC(=O)c2ccc(F)cc2Cl)cc1-c1nn[n-]n1 ZINC001605346083 1351142069 /nfs/dbraw/zinc/14/20/69/1351142069.db2.gz LPPMIZAYONEJCC-UHFFFAOYSA-N -1 1 348.725 2.315 20 0 EEADMM CS[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001605362256 1351144650 /nfs/dbraw/zinc/14/46/50/1351144650.db2.gz XTLICBJWJATZNT-CQSZACIVSA-N -1 1 340.412 2.329 20 0 EEADMM CS[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001605362256 1351144655 /nfs/dbraw/zinc/14/46/55/1351144655.db2.gz XTLICBJWJATZNT-CQSZACIVSA-N -1 1 340.412 2.329 20 0 EEADMM CSCCc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605374388 1351147570 /nfs/dbraw/zinc/14/75/70/1351147570.db2.gz AETWDCMMQQYTHD-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM CSCCc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605374388 1351147572 /nfs/dbraw/zinc/14/75/72/1351147572.db2.gz AETWDCMMQQYTHD-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM CSc1cc(C(=O)OCc2cccnc2-c2nnn[n-]2)ccc1F ZINC001605382180 1351149297 /nfs/dbraw/zinc/14/92/97/1351149297.db2.gz CBMYOBKNTYCJOD-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CSc1cc(C(=O)OCc2cccnc2-c2nn[n-]n2)ccc1F ZINC001605382180 1351149299 /nfs/dbraw/zinc/14/92/99/1351149299.db2.gz CBMYOBKNTYCJOD-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CSc1cc(NCc2ccnc(-c3nnn[n-]3)c2)nc(SC)n1 ZINC001605382106 1351149747 /nfs/dbraw/zinc/14/97/47/1351149747.db2.gz BIZMEEKKZQPFFB-UHFFFAOYSA-N -1 1 346.445 2.108 20 0 EEADMM CSc1cc(NCc2ccnc(-c3nn[n-]n3)c2)nc(SC)n1 ZINC001605382106 1351149748 /nfs/dbraw/zinc/14/97/48/1351149748.db2.gz BIZMEEKKZQPFFB-UHFFFAOYSA-N -1 1 346.445 2.108 20 0 EEADMM CCN(C#N)CCN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001605391187 1351152395 /nfs/dbraw/zinc/15/23/95/1351152395.db2.gz KJIVEIQXRPVFBW-LBPRGKRZSA-N -1 1 331.294 2.103 20 0 EEADMM CCN(Cc1cc(C(=O)[O-])n(C)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001605454100 1351162369 /nfs/dbraw/zinc/16/23/69/1351162369.db2.gz DCLYUAPMJUYENX-UHFFFAOYSA-N -1 1 337.420 2.165 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(OCC(C)C)c2)c1 ZINC001605510579 1351174884 /nfs/dbraw/zinc/17/48/84/1351174884.db2.gz DYUOPUCTGGXUSF-UHFFFAOYSA-N -1 1 339.399 2.420 20 0 EEADMM CCOC(=O)c1c(C)n[nH]c1C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001605563294 1351190919 /nfs/dbraw/zinc/19/09/19/1351190919.db2.gz ISNBJAODBUEBSF-LBPRGKRZSA-N -1 1 337.420 2.218 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2COc3ccc(Cl)cc32)n1 ZINC001605573454 1351192674 /nfs/dbraw/zinc/19/26/74/1351192674.db2.gz WFYOQSAZYOVYDQ-LLVKDONJSA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2COc3ccc(Cl)cc32)n1 ZINC001605573454 1351192677 /nfs/dbraw/zinc/19/26/77/1351192677.db2.gz WFYOQSAZYOVYDQ-LLVKDONJSA-N -1 1 329.751 2.164 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Sc2nc3cnccc3s2)n1 ZINC001605584905 1351194325 /nfs/dbraw/zinc/19/43/25/1351194325.db2.gz FFHLWCVUTMOIDU-UHFFFAOYSA-N -1 1 328.386 2.121 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Sc2nc3cnccc3s2)n1 ZINC001605584905 1351194330 /nfs/dbraw/zinc/19/43/30/1351194330.db2.gz FFHLWCVUTMOIDU-UHFFFAOYSA-N -1 1 328.386 2.121 20 0 EEADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H]1C[C@@H](C)Cc2cn[nH]c21 ZINC001605795129 1351224464 /nfs/dbraw/zinc/22/44/64/1351224464.db2.gz XBAHEQSGLXCKQL-ZANVPECISA-N -1 1 337.387 2.203 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)OCc2cccnc2-c2nnn[n-]2)cc1 ZINC001605838569 1351232578 /nfs/dbraw/zinc/23/25/78/1351232578.db2.gz IPERDTRXTUGFOI-ZDUSSCGKSA-N -1 1 337.383 2.492 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)OCc2cccnc2-c2nn[n-]n2)cc1 ZINC001605838569 1351232579 /nfs/dbraw/zinc/23/25/79/1351232579.db2.gz IPERDTRXTUGFOI-ZDUSSCGKSA-N -1 1 337.383 2.492 20 0 EEADMM Cc1ccc(N2CCCN3c4ccccc4C[C@@H]3C2)c(-c2nnn[n-]2)n1 ZINC001605867478 1351241788 /nfs/dbraw/zinc/24/17/88/1351241788.db2.gz MTJDXIPHSUEUDP-OAHLLOKOSA-N -1 1 347.426 2.212 20 0 EEADMM Cc1ccc(N2CCCN3c4ccccc4C[C@@H]3C2)c(-c2nn[n-]n2)n1 ZINC001605867478 1351241791 /nfs/dbraw/zinc/24/17/91/1351241791.db2.gz MTJDXIPHSUEUDP-OAHLLOKOSA-N -1 1 347.426 2.212 20 0 EEADMM CCn1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cn1 ZINC001605919220 1351253653 /nfs/dbraw/zinc/25/36/53/1351253653.db2.gz YSXPXQQUTHTNNB-BDJLRTHQSA-N -1 1 333.388 2.397 20 0 EEADMM Cc1[nH]nc(NC(=O)CC=Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001606013322 1351263388 /nfs/dbraw/zinc/26/33/88/1351263388.db2.gz LWBKOJJBEQBJGE-IHWYPQMZSA-N -1 1 327.323 2.079 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2ccc(CC(C)C)cc2)c1-c1nn[n-]n1 ZINC001606013342 1351263608 /nfs/dbraw/zinc/26/36/08/1351263608.db2.gz MHJXATDIGFRTJI-UHFFFAOYSA-N -1 1 339.403 2.278 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC001606164998 1351280167 /nfs/dbraw/zinc/28/01/67/1351280167.db2.gz KHMAVQGKQGWUSA-CYBMUJFWSA-N -1 1 345.403 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC001606164998 1351280172 /nfs/dbraw/zinc/28/01/72/1351280172.db2.gz KHMAVQGKQGWUSA-CYBMUJFWSA-N -1 1 345.403 2.332 20 0 EEADMM COC(=O)CCN(Cc1ccccc1)Cc1cncc(C(=O)[O-])c1 ZINC001606454461 1351305528 /nfs/dbraw/zinc/30/55/28/1351305528.db2.gz IFXXHOQOMNRLKE-UHFFFAOYSA-N -1 1 328.368 2.345 20 0 EEADMM O=C(Cn1ccc2ccccc21)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606619304 1351332885 /nfs/dbraw/zinc/33/28/85/1351332885.db2.gz VLPJUGLVBNUMRB-UHFFFAOYSA-N -1 1 348.370 2.061 20 0 EEADMM COC(=O)c1cncc(CN(CCC(=O)[O-])Cc2ccccc2)c1 ZINC001606628553 1351334035 /nfs/dbraw/zinc/33/40/35/1351334035.db2.gz QOYUGUSOLBXINM-UHFFFAOYSA-N -1 1 328.368 2.345 20 0 EEADMM O=C(N[C@H](C1CC1)C1CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606634335 1351334993 /nfs/dbraw/zinc/33/49/93/1351334993.db2.gz URNXJTSOSUFGQA-AWEZNQCLSA-N -1 1 333.342 2.453 20 0 EEADMM O=C(N[C@H](C1CC1)C1CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606634335 1351334995 /nfs/dbraw/zinc/33/49/95/1351334995.db2.gz URNXJTSOSUFGQA-AWEZNQCLSA-N -1 1 333.342 2.453 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606683459 1351341520 /nfs/dbraw/zinc/34/15/20/1351341520.db2.gz PNGPHFFWUULHMP-LLVKDONJSA-N -1 1 345.378 2.227 20 0 EEADMM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606683459 1351341522 /nfs/dbraw/zinc/34/15/22/1351341522.db2.gz PNGPHFFWUULHMP-LLVKDONJSA-N -1 1 345.378 2.227 20 0 EEADMM O=C(NCc1coc(-c2cccs2)n1)c1coc(-c2nnn[n-]2)c1 ZINC001606843080 1351365908 /nfs/dbraw/zinc/36/59/08/1351365908.db2.gz DCZFQYNXSGFGHW-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(NCc1coc(-c2cccs2)n1)c1coc(-c2nn[n-]n2)c1 ZINC001606843080 1351365909 /nfs/dbraw/zinc/36/59/09/1351365909.db2.gz DCZFQYNXSGFGHW-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001606892897 1351371145 /nfs/dbraw/zinc/37/11/45/1351371145.db2.gz ZNYJFVPKDSJPER-QWHCGFSZSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001606892897 1351371148 /nfs/dbraw/zinc/37/11/48/1351371148.db2.gz ZNYJFVPKDSJPER-QWHCGFSZSA-N -1 1 337.387 2.187 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(Oc2ccccc2)CC1 ZINC001606897395 1351371384 /nfs/dbraw/zinc/37/13/84/1351371384.db2.gz CVVXHPCTBTUPCU-UHFFFAOYSA-N -1 1 337.339 2.122 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1ccnc(-c2nnn[n-]2)c1 ZINC001606982515 1351391640 /nfs/dbraw/zinc/39/16/40/1351391640.db2.gz IAKCUTQULSBZOV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(Cl)c1F)c1ccnc(-c2nn[n-]n2)c1 ZINC001606982515 1351391642 /nfs/dbraw/zinc/39/16/42/1351391642.db2.gz IAKCUTQULSBZOV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001607016937 1351398286 /nfs/dbraw/zinc/39/82/86/1351398286.db2.gz HXMXZOMJDVBYEO-UHFFFAOYSA-N -1 1 349.354 2.025 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@]2(CCCOC2)C1 ZINC001607022180 1351400054 /nfs/dbraw/zinc/40/00/54/1351400054.db2.gz HANMOKBBGASJGB-KRWDZBQOSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@]2(CCCOC2)C1 ZINC001607022180 1351400057 /nfs/dbraw/zinc/40/00/57/1351400057.db2.gz 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EEADMM CC[C@@H](F)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001089626100 773573196 /nfs/dbraw/zinc/57/31/96/773573196.db2.gz YUMPQPZGJSNMGF-CHWSQXEVSA-N -1 1 340.443 2.392 20 0 EEADMM O=C(CC1CCC1)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980113258 773884526 /nfs/dbraw/zinc/88/45/26/773884526.db2.gz OKENUFIDIZLVIX-UHFFFAOYSA-N -1 1 331.416 2.135 20 0 EEADMM C[C@@]1(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)C=CCC1 ZINC000980145477 773945425 /nfs/dbraw/zinc/94/54/25/773945425.db2.gz MLVAPUHMKFLJOS-SVGDTCPJSA-N -1 1 343.427 2.301 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC000942755122 783138397 /nfs/dbraw/zinc/13/83/97/783138397.db2.gz UYEVTCLEIIYYRM-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)Cc3cccc4ccccc43)nc2n1 ZINC001131778012 783228292 /nfs/dbraw/zinc/22/82/92/783228292.db2.gz CVFIRPHGFRKKJS-UHFFFAOYSA-N -1 1 347.378 2.314 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCN(Cc2cc(C3CC3)no2)CC1 ZINC000981026640 776401279 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EEADMM COCCCn1c(=O)[nH]nc1SCc1ccc(C(=O)[O-])cc1F ZINC001599230444 997839532 /nfs/dbraw/zinc/83/95/32/997839532.db2.gz VCQFOZMTBCDPPR-UHFFFAOYSA-N -1 1 341.364 2.150 20 0 EEADMM COc1cc(NC(=O)CNCc2cccc(C(=O)[O-])c2)cc(OC)c1 ZINC001599435844 997844938 /nfs/dbraw/zinc/84/49/38/997844938.db2.gz VBPAUUJEZRUWGH-UHFFFAOYSA-N -1 1 344.367 2.130 20 0 EEADMM C[C@@]12COC[C@@H]1CN(CC(=O)c1c[nH]c3ccc(C(=O)[O-])cc13)C2 ZINC001594089008 998028786 /nfs/dbraw/zinc/02/87/86/998028786.db2.gz VEDZWUGNFJGKOY-KPZWWZAWSA-N -1 1 328.368 2.017 20 0 EEADMM CC1=C(c2ccco2)CN([C@@H]2CCCN(CCC(=O)[O-])C2=O)CC1 ZINC001594109964 998201680 /nfs/dbraw/zinc/20/16/80/998201680.db2.gz OSPDYFQBLXSFQE-OAHLLOKOSA-N -1 1 332.400 2.225 20 0 EEADMM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]2C)c(Br)c1O ZINC001599563108 998237513 /nfs/dbraw/zinc/23/75/13/998237513.db2.gz LEKZIOAGQZJMCN-SCZZXKLOSA-N -1 1 344.205 2.458 20 0 EEADMM COc1ccc(-c2n[nH]c(SCc3cnc(C(=O)[O-])cn3)n2)cc1 ZINC001599471973 998465555 /nfs/dbraw/zinc/46/55/55/998465555.db2.gz SJXMHYNDJQBTLB-UHFFFAOYSA-N -1 1 343.368 2.261 20 0 EEADMM C[C@H]1[C@H](NCc2nn(C)cc2Br)CC[C@H]1CC(=O)[O-] ZINC001594184220 998714116 /nfs/dbraw/zinc/71/41/16/998714116.db2.gz HMYQWHPBRAZRKY-WCABBAIRSA-N -1 1 330.226 2.162 20 0 EEADMM C[C@H]1[C@H](NCc2ncn(Cc3cccc(F)c3)n2)CC[C@H]1CC(=O)[O-] ZINC001594185093 998716863 /nfs/dbraw/zinc/71/68/63/998716863.db2.gz MVLUCNWFWFBYEQ-IVMMDQJWSA-N -1 1 346.406 2.445 20 0 EEADMM C[C@H]1CCN(Cc2ncc(Br)cc2O)[C@@H](C(=O)[O-])C1 ZINC001594427609 999597886 /nfs/dbraw/zinc/59/78/86/999597886.db2.gz WKAJGKBZMBJSHC-GZMMTYOYSA-N -1 1 329.194 2.235 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001594448038 999643099 /nfs/dbraw/zinc/64/30/99/999643099.db2.gz MZROUEBPSUZSLB-GTTSAUCSSA-N -1 1 346.358 2.454 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001594448955 999645517 /nfs/dbraw/zinc/64/55/17/999645517.db2.gz XEUQLPRBTWKXHR-GTNSWQLSSA-N -1 1 339.395 2.359 20 0 EEADMM CCCC(C)(C)C(=O)N(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001448862673 1093912943 /nfs/dbraw/zinc/91/29/43/1093912943.db2.gz UTGHCMDVOAOHKV-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM CCC(CC)(NC(=O)COc1ccc(Cl)cc1C)c1nn[n-]n1 ZINC001449019715 1094024248 /nfs/dbraw/zinc/02/42/48/1094024248.db2.gz VMAMUKZSKALSGG-UHFFFAOYSA-N -1 1 337.811 2.372 20 0 EEADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)c([O-])c1 ZINC001441606485 1095461218 /nfs/dbraw/zinc/46/12/18/1095461218.db2.gz PHWMSJAWSCRKTC-UHFFFAOYSA-N -1 1 344.342 2.256 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1CC2CCC1CC2 ZINC001451005162 1095614876 /nfs/dbraw/zinc/61/48/76/1095614876.db2.gz NECSPLKEAGHWCA-XSCHDIRWSA-N -1 1 345.443 2.190 20 0 EEADMM CCCC1(C(=O)N2CCC[C@H]2CN(C)C(=O)c2ncccc2[O-])CC1 ZINC001442322438 1096641846 /nfs/dbraw/zinc/64/18/46/1096641846.db2.gz DNDJTPCRLUCGCU-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM O=C(NCCC1CCN(C(=O)c2ncccc2[O-])CC1)C1=CCCC1 ZINC001451321605 1097588442 /nfs/dbraw/zinc/58/84/42/1097588442.db2.gz NAKMZNGTRYQROE-UHFFFAOYSA-N -1 1 343.427 2.256 20 0 EEADMM CCC[C@](C)(CC)C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001451545827 1097689963 /nfs/dbraw/zinc/68/99/63/1097689963.db2.gz DFXPRGAEMWWJOA-UGSOOPFHSA-N -1 1 335.448 2.486 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)c1ncccc1[O-] ZINC001451741301 1097880036 /nfs/dbraw/zinc/88/00/36/1097880036.db2.gz GLNMDUNTJYQQCK-TZMCWYRMSA-N -1 1 333.432 2.094 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)CC(C)(F)F ZINC001449779034 1104933856 /nfs/dbraw/zinc/93/38/56/1104933856.db2.gz IMKPHIICSMFBTO-UHFFFAOYSA-N -1 1 343.374 2.047 20 0 EEADMM Cc1cc(C(=O)NCCN(C(=O)c2ncccc2[O-])C2CC2)c(C)o1 ZINC001449796673 1104946168 /nfs/dbraw/zinc/94/61/68/1104946168.db2.gz FFHMACCAJPLKDG-UHFFFAOYSA-N -1 1 343.383 2.032 20 0 EEADMM Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001449901726 1105032559 /nfs/dbraw/zinc/03/25/59/1105032559.db2.gz KPYBKPSAWNIHJE-JTQLQIEISA-N -1 1 333.413 2.048 20 0 EEADMM C[C@H](CNC(=O)c1ccccc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC001450102130 1105212917 /nfs/dbraw/zinc/21/29/17/1105212917.db2.gz WVDZDHVBLHWFHL-LLVKDONJSA-N -1 1 347.802 2.331 20 0 EEADMM CSc1nc(CNC(=O)c2c[nH]c3cc(=O)ccc-3c2)cc(=O)[n-]1 ZINC001452485005 1105512150 /nfs/dbraw/zinc/51/21/50/1105512150.db2.gz YYKJSJVVVLIPFD-UHFFFAOYSA-N -1 1 342.380 2.088 20 0 EEADMM CC[C@@H](C)[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001493773886 1108650078 /nfs/dbraw/zinc/65/00/78/1108650078.db2.gz DBPOVLQKCGDHCA-TUVASFSCSA-N -1 1 345.443 2.285 20 0 EEADMM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(C(F)F)[nH]n1 ZINC001463909487 1110383214 /nfs/dbraw/zinc/38/32/14/1110383214.db2.gz FVOLXULJLHIYPU-UHFFFAOYSA-N -1 1 339.327 2.330 20 0 EEADMM COc1cccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1C ZINC001465208605 1110412994 /nfs/dbraw/zinc/41/29/94/1110412994.db2.gz QKXBIKFWWLXAHC-UHFFFAOYSA-N -1 1 339.355 2.348 20 0 EEADMM O=C(N[C@H](c1ccccc1)C(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC001466620430 1110439776 /nfs/dbraw/zinc/43/97/76/1110439776.db2.gz TWQHCQBBLVDYPO-GFCCVEGCSA-N -1 1 336.346 2.095 20 0 EEADMM CSc1ncc(C(=O)Nc2cccc(OCC(F)F)n2)c(=O)[n-]1 ZINC001468469198 1110474912 /nfs/dbraw/zinc/47/49/12/1110474912.db2.gz FQZFTXXGAVWTBD-UHFFFAOYSA-N -1 1 342.327 2.195 20 0 EEADMM O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC(c2nn[n-]n2)CC1 ZINC001471336163 1110520985 /nfs/dbraw/zinc/52/09/85/1110520985.db2.gz OGKNRQYMCUYAML-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(CC1CCC1)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001509347646 1115806957 /nfs/dbraw/zinc/80/69/57/1115806957.db2.gz LHHWJNHOYCRIGU-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CCC(CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001512799951 1118675698 /nfs/dbraw/zinc/67/56/98/1118675698.db2.gz RYIBAROAZREBSI-LSDHHAIUSA-N -1 1 345.443 2.286 20 0 EEADMM CN(C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C(=O)CCC1CC1 ZINC001524561811 1120176978 /nfs/dbraw/zinc/17/69/78/1120176978.db2.gz NEIIXTQVQYYFFE-HNNXBMFYSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001549404155 1121240410 /nfs/dbraw/zinc/24/04/10/1121240410.db2.gz KPBGFQPLDDOZFM-DZGCQCFKSA-N -1 1 335.791 2.348 20 0 EEADMM Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC001549411020 1121246501 /nfs/dbraw/zinc/24/65/01/1121246501.db2.gz RGPIGRFYYBTUOG-SWLSCSKDSA-N -1 1 335.791 2.348 20 0 EEADMM CCOc1ccc(CCNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001529196667 1121365101 /nfs/dbraw/zinc/36/51/01/1121365101.db2.gz WZVJFEOUWJRBOB-UHFFFAOYSA-N -1 1 333.413 2.151 20 0 EEADMM COC[C@@](C)(CCO)NCc1ccc(C(=O)[O-])cc1Br ZINC001610243044 1121481470 /nfs/dbraw/zinc/48/14/70/1121481470.db2.gz AYOHODBMSZMQGU-CQSZACIVSA-N -1 1 346.221 2.024 20 0 EEADMM CCS(=O)(=O)c1ccc(CN2CC[C@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001549896845 1121521625 /nfs/dbraw/zinc/52/16/25/1121521625.db2.gz HNRIUKUQLHWZHY-NVXWUHKLSA-N -1 1 337.441 2.309 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001604882550 1121566857 /nfs/dbraw/zinc/56/68/57/1121566857.db2.gz UEOIKBLGXKNIAT-LURJTMIESA-N -1 1 326.150 2.375 20 0 EEADMM Cn1cc(O[C@H]2CCC[C@H]2NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC001550494926 1121880741 /nfs/dbraw/zinc/88/07/41/1121880741.db2.gz BZSLZBIRGGKSTC-ZBFHGGJFSA-N -1 1 349.818 2.438 20 0 EEADMM CCn1cc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)nn1 ZINC001550703897 1122038702 /nfs/dbraw/zinc/03/87/02/1122038702.db2.gz NZPLBPNYTMCLFQ-HUUCEWRRSA-N -1 1 334.807 2.252 20 0 EEADMM CCC[C@H](C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-])C(C)C ZINC001532952321 1123007469 /nfs/dbraw/zinc/00/74/69/1123007469.db2.gz IIPRALPCWACWMU-AWEZNQCLSA-N -1 1 335.448 2.390 20 0 EEADMM Cc1nc(-c2ccc(F)c(C)c2)sc1C(=O)N(C)c1nn[n-]n1 ZINC001539048463 1124043893 /nfs/dbraw/zinc/04/38/93/1124043893.db2.gz XBGNCYRRCUZMKK-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM CC(C)N1C(=O)N[C@H]2CN(C(=O)c3c([O-])cccc3Cl)CC[C@@H]21 ZINC001548507326 1124311983 /nfs/dbraw/zinc/31/19/83/1124311983.db2.gz BUJAZJYMYIMDME-RYUDHWBXSA-N -1 1 337.807 2.062 20 0 EEADMM O=C(NCC1([C@H]2CCCO2)CCC1)c1nc2ccccc2c(=O)[n-]1 ZINC001551384431 1124409919 /nfs/dbraw/zinc/40/99/19/1124409919.db2.gz PEWGIFMOSIIJCM-CQSZACIVSA-N -1 1 327.384 2.002 20 0 EEADMM O=C([O-])c1cn([C@@H]2CCCC[C@H]2NCc2ncc(Cl)s2)nn1 ZINC001551401407 1124417437 /nfs/dbraw/zinc/41/74/37/1124417437.db2.gz BCNTVEPUMUGHPC-PSASIEDQSA-N -1 1 341.824 2.360 20 0 EEADMM CC(C)n1ccnc1CN[C@H]1CCCC[C@@H]1n1cc(C(=O)[O-])nn1 ZINC001551404600 1124418508 /nfs/dbraw/zinc/41/85/08/1124418508.db2.gz LISIVXWPJMCCQC-JSGCOSHPSA-N -1 1 332.408 2.027 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cc(CCC(C)C)nn1C ZINC001548691987 1124438658 /nfs/dbraw/zinc/43/86/58/1124438658.db2.gz FTPSYNYJLZFASS-UHFFFAOYSA-N -1 1 335.433 2.354 20 0 EEADMM O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548764721 1124487779 /nfs/dbraw/zinc/48/77/79/1124487779.db2.gz LKMWMNNQHWUSDD-ZCFIWIBFSA-N -1 1 347.247 2.126 20 0 EEADMM O=C(N1CC[C@H](c2nn[n-]n2)C1)C1(Cc2cccc(F)c2)CCC1 ZINC001548765498 1124489661 /nfs/dbraw/zinc/48/96/61/1124489661.db2.gz OOCAVINEKDUKEJ-ZDUSSCGKSA-N -1 1 329.379 2.068 20 0 EEADMM O=C(N1CC[C@H](c2nn[n-]n2)C1)C1(c2cccc(F)c2)CCCC1 ZINC001548768840 1124491106 /nfs/dbraw/zinc/49/11/06/1124491106.db2.gz QKRBPJJPWWTEQK-LBPRGKRZSA-N -1 1 329.379 2.167 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N([C@@H](C)c1ccccc1)C1CC1 ZINC001548921372 1124597430 /nfs/dbraw/zinc/59/74/30/1124597430.db2.gz NAMMGZMQHSKSCF-JTQLQIEISA-N -1 1 329.356 2.262 20 0 EEADMM CN(C)c1ncc2c(n1)CCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC001551841696 1124643732 /nfs/dbraw/zinc/64/37/32/1124643732.db2.gz YUXNHCJKLSHDAE-UHFFFAOYSA-N -1 1 332.791 2.100 20 0 EEADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H](CCO)C1 ZINC000051894162 214108837 /nfs/dbraw/zinc/10/88/37/214108837.db2.gz YIYSMKFAJLPCBV-SNVBAGLBSA-N -1 1 328.206 2.389 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1O ZINC000055616300 214334259 /nfs/dbraw/zinc/33/42/59/214334259.db2.gz RDTBIQIQJARUJS-UHFFFAOYSA-N -1 1 348.380 2.255 20 0 EEADMM 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IBEXGSGOFWXSMO-UHFFFAOYSA-N -1 1 337.253 2.217 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCO1 ZINC000746693579 577932687 /nfs/dbraw/zinc/93/26/87/577932687.db2.gz DRQKOERBTRWRIA-LBPRGKRZSA-N -1 1 341.791 2.228 20 0 EEADMM COC(=O)[C@H]1CC12CCN(C(=O)c1c(C)nc(C(C)C)[n-]c1=O)CC2 ZINC000747395591 577943484 /nfs/dbraw/zinc/94/34/84/577943484.db2.gz PSOMNDVRPMFFFV-GFCCVEGCSA-N -1 1 347.415 2.029 20 0 EEADMM O=C(CCCn1cccn1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000748835393 577967939 /nfs/dbraw/zinc/96/79/39/577967939.db2.gz TWTRXEOEYYPBTE-UHFFFAOYSA-N -1 1 341.411 2.490 20 0 EEADMM CCc1nnc(COC(=O)c2ccc(Br)c([O-])c2)o1 ZINC000750549639 577994998 /nfs/dbraw/zinc/99/49/98/577994998.db2.gz DYQSBXMPQZIJSO-UHFFFAOYSA-N -1 1 327.134 2.457 20 0 EEADMM Cc1ccccc1[C@@H]1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C1 ZINC000738770264 578026314 /nfs/dbraw/zinc/02/63/14/578026314.db2.gz YOZQKGHMKYQFAV-WBVHZDCISA-N -1 1 332.444 2.400 20 0 EEADMM O=C([O-])[C@H]1CC12CCN([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000739373821 578050841 /nfs/dbraw/zinc/05/08/41/578050841.db2.gz KOXLOVSFCCLZOO-CVEARBPZSA-N -1 1 328.412 2.193 20 0 EEADMM COCCCCCOC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000735135654 578134983 /nfs/dbraw/zinc/13/49/83/578134983.db2.gz HCYWIQOPZWIRRV-UHFFFAOYSA-N -1 1 335.404 2.344 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736654250 578216738 /nfs/dbraw/zinc/21/67/38/578216738.db2.gz IGMQEUOECKHBBU-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM CCOc1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736654250 578216739 /nfs/dbraw/zinc/21/67/39/578216739.db2.gz IGMQEUOECKHBBU-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM COC(=O)C1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736911039 578228832 /nfs/dbraw/zinc/22/88/32/578228832.db2.gz RPQYAJRJKKCMES-UHFFFAOYSA-N -1 1 336.783 2.059 20 0 EEADMM COC(=O)C1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736911039 578228833 /nfs/dbraw/zinc/22/88/33/578228833.db2.gz RPQYAJRJKKCMES-UHFFFAOYSA-N -1 1 336.783 2.059 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737114613 578238952 /nfs/dbraw/zinc/23/89/52/578238952.db2.gz HWZLVYDLHDVGMZ-SNVBAGLBSA-N -1 1 325.328 2.188 20 0 EEADMM COc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737114613 578238953 /nfs/dbraw/zinc/23/89/53/578238953.db2.gz HWZLVYDLHDVGMZ-SNVBAGLBSA-N -1 1 325.328 2.188 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)N(C)c2ccccc2C(=O)[O-])C1(C)C ZINC000737157461 578241255 /nfs/dbraw/zinc/24/12/55/578241255.db2.gz MKRNSWQBTFAVES-CVEARBPZSA-N -1 1 348.443 2.483 20 0 EEADMM CCO[C@@H]1C[C@@H](N(C)CC(=O)NC2(C(=O)[O-])CCCCC2)C1(C)C ZINC000737159257 578241336 /nfs/dbraw/zinc/24/13/36/578241336.db2.gz UZCGMEOAFGFOGH-ZIAGYGMSSA-N -1 1 340.464 2.026 20 0 EEADMM CN(C(=O)CN1CCCC2(CCOCC2)C1)c1ccccc1C(=O)[O-] ZINC000737321113 578250265 /nfs/dbraw/zinc/25/02/65/578250265.db2.gz BENNSNQBIPBIIF-UHFFFAOYSA-N -1 1 346.427 2.240 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737335121 578251180 /nfs/dbraw/zinc/25/11/80/578251180.db2.gz QGMGEQIYCDSMRF-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737335121 578251181 /nfs/dbraw/zinc/25/11/81/578251181.db2.gz QGMGEQIYCDSMRF-MRXNPFEDSA-N -1 1 348.410 2.417 20 0 EEADMM Cc1ccc(N2CCCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737350031 578251932 /nfs/dbraw/zinc/25/19/32/578251932.db2.gz CKRRJHDSKVXFLC-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM Cc1ccc(N2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737350031 578251933 /nfs/dbraw/zinc/25/19/33/578251933.db2.gz CKRRJHDSKVXFLC-UHFFFAOYSA-N -1 1 335.415 2.287 20 0 EEADMM Cc1csc([C@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC000737454476 578258527 /nfs/dbraw/zinc/25/85/27/578258527.db2.gz AMNRNWBPGCRUHJ-NSHDSACASA-N -1 1 327.417 2.411 20 0 EEADMM Cc1csc([C@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC000737454476 578258528 /nfs/dbraw/zinc/25/85/28/578258528.db2.gz AMNRNWBPGCRUHJ-NSHDSACASA-N -1 1 327.417 2.411 20 0 EEADMM COc1ccc([C@@H]2CCCCCN2CC(=O)NCCC(=O)[O-])cc1 ZINC000737986998 578275517 /nfs/dbraw/zinc/27/55/17/578275517.db2.gz PBALQGDBNINPDF-INIZCTEOSA-N -1 1 334.416 2.203 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(C)(C)C1 ZINC000822534829 599205487 /nfs/dbraw/zinc/20/54/87/599205487.db2.gz AMMGFZZXMURVAH-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(C)(C)C1 ZINC000822534829 599205490 /nfs/dbraw/zinc/20/54/90/599205490.db2.gz AMMGFZZXMURVAH-UHFFFAOYSA-N -1 1 340.387 2.431 20 0 EEADMM COCCn1c(C)cc(C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000818545462 597070691 /nfs/dbraw/zinc/07/06/91/597070691.db2.gz NVLFSLYIWLYPDS-HNNXBMFYSA-N -1 1 336.432 2.121 20 0 EEADMM CCOc1ccc2[nH]c(Sc3ccc(-c4nn[n-]n4)nn3)nc2c1 ZINC000825649665 608389972 /nfs/dbraw/zinc/38/99/72/608389972.db2.gz UPDAKSKBIKPZQI-UHFFFAOYSA-N -1 1 340.372 2.083 20 0 EEADMM Cc1cccc(C)c1OCCn1ccc(C)c(-c2nn[n-]n2)c1=O ZINC000822299897 607349388 /nfs/dbraw/zinc/34/93/88/607349388.db2.gz YTUILIQFIBCOOQ-UHFFFAOYSA-N -1 1 325.372 2.033 20 0 EEADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCCCCCCC(=O)[O-] ZINC000321746422 600358304 /nfs/dbraw/zinc/35/83/04/600358304.db2.gz VFSVKIHOQIHWCL-LSDHHAIUSA-N -1 1 325.453 2.290 20 0 EEADMM Cc1oc(NC(=O)CN2Cc3ccccc3C2)c(-c2nn[n-]n2)c1C ZINC000822548140 607451011 /nfs/dbraw/zinc/45/10/11/607451011.db2.gz FZZCJIDHMWTTOK-UHFFFAOYSA-N -1 1 338.371 2.031 20 0 EEADMM CN(C(=O)CN[C@@](C)(C(=O)[O-])C1CC1)[C@@H]1CCCc2ccccc21 ZINC000830485894 601033057 /nfs/dbraw/zinc/03/30/57/601033057.db2.gz RCISUMNLCGNTCG-VQIMIIECSA-N -1 1 330.428 2.365 20 0 EEADMM CCCN(C)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000829464627 601100804 /nfs/dbraw/zinc/10/08/04/601100804.db2.gz KFMZKEZSWLKPOW-HNNXBMFYSA-N -1 1 347.459 2.154 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCSc3ccccc32)CC1 ZINC000827354097 601104533 /nfs/dbraw/zinc/10/45/33/601104533.db2.gz BTIZCUSGKZXVCU-HIFRSBDPSA-N -1 1 348.468 2.273 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000827369148 601123169 /nfs/dbraw/zinc/12/31/69/601123169.db2.gz PHPRUAWBVNFQHV-LLVKDONJSA-N -1 1 325.796 2.353 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2O)CCO1 ZINC000819319714 601210306 /nfs/dbraw/zinc/21/03/06/601210306.db2.gz DCPTXEDWKWIASF-ZDUSSCGKSA-N -1 1 335.743 2.124 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)o1 ZINC000832924661 601245901 /nfs/dbraw/zinc/24/59/01/601245901.db2.gz XPADVVJPVJSPKS-OAHLLOKOSA-N -1 1 343.383 2.248 20 0 EEADMM C[C@H]1CN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C[C@H]1C(=O)[O-] ZINC000828465407 601513150 /nfs/dbraw/zinc/51/31/50/601513150.db2.gz XTRIYHYHVLOJQH-GXSJLCMTSA-N -1 1 346.456 2.305 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000826786006 601543234 /nfs/dbraw/zinc/54/32/34/601543234.db2.gz IZRIYDJDWRHPJB-QFBILLFUSA-N -1 1 332.444 2.266 20 0 EEADMM COc1c(F)ccc(F)c1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000831856446 601680316 /nfs/dbraw/zinc/68/03/16/601680316.db2.gz GXQVVAPUQRGRLE-UHFFFAOYSA-N -1 1 343.311 2.094 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(Nc3ccncc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828395524 601760601 /nfs/dbraw/zinc/76/06/01/601760601.db2.gz XXIXZIFEILRUNF-LRDDRELGSA-N -1 1 325.368 2.040 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826300566 607572457 /nfs/dbraw/zinc/57/24/57/607572457.db2.gz ZKIUGYVAYCACPB-UHFFFAOYSA-N -1 1 330.369 2.251 20 0 EEADMM CC(C)c1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1N ZINC000824347412 607603603 /nfs/dbraw/zinc/60/36/03/607603603.db2.gz AIGMFBPETOFKQL-UHFFFAOYSA-N -1 1 338.371 2.324 20 0 EEADMM CC(C)c1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1N ZINC000824347412 607603605 /nfs/dbraw/zinc/60/36/05/607603605.db2.gz AIGMFBPETOFKQL-UHFFFAOYSA-N -1 1 338.371 2.324 20 0 EEADMM Cc1oc(NC(=O)COC(=O)C2=C(C)CCC2)c(-c2nn[n-]n2)c1C ZINC000824852609 607614648 /nfs/dbraw/zinc/61/46/48/607614648.db2.gz OLEZQQYKDWASDY-UHFFFAOYSA-N -1 1 345.359 2.059 20 0 EEADMM FC(F)(F)COCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826367568 608173734 /nfs/dbraw/zinc/17/37/34/608173734.db2.gz DQPQKELINOYJBE-UHFFFAOYSA-N -1 1 342.734 2.358 20 0 EEADMM FC(F)(F)COCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826367568 608173737 /nfs/dbraw/zinc/17/37/37/608173737.db2.gz DQPQKELINOYJBE-UHFFFAOYSA-N -1 1 342.734 2.358 20 0 EEADMM Cc1ccc(-c2n[nH]c(SCC(=O)N(C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000832907677 604274407 /nfs/dbraw/zinc/27/44/07/604274407.db2.gz GLMMDJDIDFGFLJ-NSHDSACASA-N -1 1 348.428 2.051 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)n[nH]2)c1 ZINC000263422240 604312506 /nfs/dbraw/zinc/31/25/06/604312506.db2.gz LKYNASYKWFSRJR-KRWDZBQOSA-N -1 1 329.356 2.022 20 0 EEADMM CN(C)C(=O)c1ccc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)[nH]1 ZINC000833687567 604589878 /nfs/dbraw/zinc/58/98/78/604589878.db2.gz VLJCHTUOZVIIEP-UHFFFAOYSA-N -1 1 349.818 2.457 20 0 EEADMM C[C@H](CN(C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C(=O)[O-] ZINC000827442488 604671924 /nfs/dbraw/zinc/67/19/24/604671924.db2.gz NCTAZOOYBBSTDG-SSDOTTSWSA-N -1 1 329.278 2.306 20 0 EEADMM Cc1cc(NC(=O)CN(CCCC(=O)[O-])Cc2ccccc2)n(C)n1 ZINC000832892500 604785752 /nfs/dbraw/zinc/78/57/52/604785752.db2.gz CFEXDHCHXSZFJS-UHFFFAOYSA-N -1 1 344.415 2.034 20 0 EEADMM Cn1ccnc1[C@@H](O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833759660 604923432 /nfs/dbraw/zinc/92/34/32/604923432.db2.gz HAGHKPQKQLCAII-INIZCTEOSA-N -1 1 347.390 2.203 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)o1 ZINC000833605992 605045343 /nfs/dbraw/zinc/04/53/43/605045343.db2.gz VKEUYGWYWZMMHE-NFAWXSAZSA-N -1 1 349.431 2.093 20 0 EEADMM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536261 605058454 /nfs/dbraw/zinc/05/84/54/605058454.db2.gz QKEOFWUATVVSHQ-GHMZBOCLSA-N -1 1 347.371 2.174 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/Sc1ccccc1 ZINC000833618346 605105832 /nfs/dbraw/zinc/10/58/32/605105832.db2.gz AUQYKEZYCHUDLC-BCNIOPEESA-N -1 1 334.441 2.300 20 0 EEADMM Cc1ccccc1-c1noc(CN2CCN(CCC(=O)[O-])C[C@H]2C)n1 ZINC000833753370 605186831 /nfs/dbraw/zinc/18/68/31/605186831.db2.gz RLLXQUZXZLORRT-CQSZACIVSA-N -1 1 344.415 2.026 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)CCN1CCC(=O)[O-] ZINC000833619587 605280435 /nfs/dbraw/zinc/28/04/35/605280435.db2.gz UEXBHQOQKSZXQJ-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM CCOC(=O)CCCCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821326519 606137848 /nfs/dbraw/zinc/13/78/48/606137848.db2.gz YTHZQLFQTYZBIN-UHFFFAOYSA-N -1 1 338.389 2.209 20 0 EEADMM CCOC(=O)CCCCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821326519 606137849 /nfs/dbraw/zinc/13/78/49/606137849.db2.gz YTHZQLFQTYZBIN-UHFFFAOYSA-N -1 1 338.389 2.209 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C3CCCC3)CC2)n1 ZINC000822604618 606173069 /nfs/dbraw/zinc/17/30/69/606173069.db2.gz IIDHXJPOSCDSII-UHFFFAOYSA-N -1 1 344.423 2.034 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C3CCCC3)CC2)n1 ZINC000822604618 606173070 /nfs/dbraw/zinc/17/30/70/606173070.db2.gz IIDHXJPOSCDSII-UHFFFAOYSA-N -1 1 344.423 2.034 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000822578376 606476475 /nfs/dbraw/zinc/47/64/75/606476475.db2.gz HUTNBHGHMNXSHE-CYBMUJFWSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccc(N2CCOC[C@@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000822578376 606476477 /nfs/dbraw/zinc/47/64/77/606476477.db2.gz HUTNBHGHMNXSHE-CYBMUJFWSA-N -1 1 342.790 2.493 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821857961 606503473 /nfs/dbraw/zinc/50/34/73/606503473.db2.gz BYGRIWHMGHLXBK-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM COc1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821857961 606503475 /nfs/dbraw/zinc/50/34/75/606503475.db2.gz BYGRIWHMGHLXBK-SECBINFHSA-N -1 1 329.385 2.428 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821360277 606573056 /nfs/dbraw/zinc/57/30/56/606573056.db2.gz QIZWHEYZGBBMSN-NWDGAFQWSA-N -1 1 333.417 2.006 20 0 EEADMM CCO[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821360277 606573058 /nfs/dbraw/zinc/57/30/58/606573058.db2.gz QIZWHEYZGBBMSN-NWDGAFQWSA-N -1 1 333.417 2.006 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1nc(C(C)(C)C)no1 ZINC000820396869 606576906 /nfs/dbraw/zinc/57/69/06/606576906.db2.gz IWKMZBOEHLTBFT-SSDOTTSWSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(C(C)(C)C)no1 ZINC000820396869 606576908 /nfs/dbraw/zinc/57/69/08/606576908.db2.gz IWKMZBOEHLTBFT-SSDOTTSWSA-N -1 1 347.404 2.100 20 0 EEADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1CCC(C)C ZINC000822169036 606655150 /nfs/dbraw/zinc/65/51/50/606655150.db2.gz WVCOUOKYQVDFTQ-UHFFFAOYSA-N -1 1 341.419 2.411 20 0 EEADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1CCC(C)C ZINC000822169036 606655151 /nfs/dbraw/zinc/65/51/51/606655151.db2.gz WVCOUOKYQVDFTQ-UHFFFAOYSA-N -1 1 341.419 2.411 20 0 EEADMM COCCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCC1 ZINC000821686927 606721165 /nfs/dbraw/zinc/72/11/65/606721165.db2.gz FQQAAMOJEBXFIV-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM COCCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCC1 ZINC000821686927 606721167 /nfs/dbraw/zinc/72/11/67/606721167.db2.gz FQQAAMOJEBXFIV-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM Fc1cccc(F)c1N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000822792199 606728869 /nfs/dbraw/zinc/72/88/69/606728869.db2.gz QSMZNVWEPSDSLI-SNVBAGLBSA-N -1 1 343.341 2.231 20 0 EEADMM Fc1cccc(F)c1N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000822792199 606728870 /nfs/dbraw/zinc/72/88/70/606728870.db2.gz QSMZNVWEPSDSLI-SNVBAGLBSA-N -1 1 343.341 2.231 20 0 EEADMM CCCN(CCC)C(=O)CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000821099580 606820254 /nfs/dbraw/zinc/82/02/54/606820254.db2.gz JOZOHORMLOBXRC-UHFFFAOYSA-N -1 1 349.464 2.014 20 0 EEADMM CC(=O)Oc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000819826639 606829492 /nfs/dbraw/zinc/82/94/92/606829492.db2.gz MSPZJMHBGXZOPE-UHFFFAOYSA-N -1 1 344.352 2.211 20 0 EEADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826523189 607822283 /nfs/dbraw/zinc/82/22/83/607822283.db2.gz DIOLLRXXLFOPBE-VUCTXSBTSA-N -1 1 348.410 2.206 20 0 EEADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826523189 607822284 /nfs/dbraw/zinc/82/22/84/607822284.db2.gz DIOLLRXXLFOPBE-VUCTXSBTSA-N -1 1 348.410 2.206 20 0 EEADMM Cc1occc1-c1nnc(Sc2cccc(-c3nnn[n-]3)n2)o1 ZINC000826342235 607895906 /nfs/dbraw/zinc/89/59/06/607895906.db2.gz BZBAHZJOKOBENE-UHFFFAOYSA-N -1 1 327.329 2.364 20 0 EEADMM Cc1occc1-c1nnc(Sc2cccc(-c3nn[n-]n3)n2)o1 ZINC000826342235 607895907 /nfs/dbraw/zinc/89/59/07/607895907.db2.gz BZBAHZJOKOBENE-UHFFFAOYSA-N -1 1 327.329 2.364 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942553 608005294 /nfs/dbraw/zinc/00/52/94/608005294.db2.gz GFFLPCXYXLLZFH-RMKNXTFCSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942553 608005295 /nfs/dbraw/zinc/00/52/95/608005295.db2.gz GFFLPCXYXLLZFH-RMKNXTFCSA-N -1 1 343.778 2.296 20 0 EEADMM Fc1cccc([C@H](Nc2nccnc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826376746 608234716 /nfs/dbraw/zinc/23/47/16/608234716.db2.gz QGGXRFTWAGVQEZ-AWEZNQCLSA-N -1 1 348.345 2.392 20 0 EEADMM Fc1cccc([C@H](Nc2nccnc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826376746 608234717 /nfs/dbraw/zinc/23/47/17/608234717.db2.gz QGGXRFTWAGVQEZ-AWEZNQCLSA-N -1 1 348.345 2.392 20 0 EEADMM COc1ccccc1C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC000826219733 608427914 /nfs/dbraw/zinc/42/79/14/608427914.db2.gz ONAMXSKPIFXYEM-AWEZNQCLSA-N -1 1 339.403 2.345 20 0 EEADMM COc1ccccc1C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC000826219733 608427916 /nfs/dbraw/zinc/42/79/16/608427916.db2.gz ONAMXSKPIFXYEM-AWEZNQCLSA-N -1 1 339.403 2.345 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367330 608430089 /nfs/dbraw/zinc/43/00/89/608430089.db2.gz UXLUFIXTFOWWET-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367330 608430091 /nfs/dbraw/zinc/43/00/91/608430091.db2.gz UXLUFIXTFOWWET-RKDXNWHRSA-N -1 1 327.314 2.437 20 0 EEADMM Cc1ccccc1[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000826306786 608710735 /nfs/dbraw/zinc/71/07/35/608710735.db2.gz LHKUSZYGFUVZOM-INIZCTEOSA-N -1 1 325.372 2.342 20 0 EEADMM Clc1nsc(N2CCC[C@@H]2C2CCOCC2)c1-c1nnn[n-]1 ZINC000826354364 609169738 /nfs/dbraw/zinc/16/97/38/609169738.db2.gz ZUJMRWYENYEELS-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC[C@@H]2C2CCOCC2)c1-c1nn[n-]n1 ZINC000826354364 609169740 /nfs/dbraw/zinc/16/97/40/609169740.db2.gz ZUJMRWYENYEELS-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826332982 609284852 /nfs/dbraw/zinc/28/48/52/609284852.db2.gz PBMVNNMORVDTPT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826332982 609284853 /nfs/dbraw/zinc/28/48/53/609284853.db2.gz PBMVNNMORVDTPT-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)c3ncccc3O)C[C@@H]2C)o1 ZINC000947235776 675654590 /nfs/dbraw/zinc/65/45/90/675654590.db2.gz OFNSRKBFZBGAQQ-SMDDNHRTSA-N -1 1 344.415 2.175 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1ccc(F)cn1 ZINC000947229519 677798996 /nfs/dbraw/zinc/79/89/96/677798996.db2.gz CEFWWDNCYPAORZ-GXTWGEPZSA-N -1 1 344.390 2.104 20 0 EEADMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc(C)c(Cl)c2)n1 ZINC000176719990 678539774 /nfs/dbraw/zinc/53/97/74/678539774.db2.gz IZUKVONWAGLBFJ-UHFFFAOYSA-N -1 1 342.808 2.061 20 0 EEADMM Cn1cc(C(C)(C)[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)nn1 ZINC000892284726 678582509 /nfs/dbraw/zinc/58/25/09/678582509.db2.gz OMWBEOVYVOLYLL-UHFFFAOYSA-N -1 1 330.285 2.237 20 0 EEADMM CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2CNC(=O)c2ncccc2[O-])C1 ZINC001024406891 679891382 /nfs/dbraw/zinc/89/13/82/679891382.db2.gz HNELKGHSJXVQTP-GJZGRUSLSA-N -1 1 347.459 2.187 20 0 EEADMM O=C(C=C1CCCCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982517811 681452016 /nfs/dbraw/zinc/45/20/16/681452016.db2.gz VEOJJBMEOPIZCA-OAHLLOKOSA-N -1 1 343.427 2.256 20 0 EEADMM CCC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000937133751 681457227 /nfs/dbraw/zinc/45/72/27/681457227.db2.gz WRWPXBZTTPQUMW-ZDUSSCGKSA-N -1 1 341.411 2.049 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ncccc1[O-] ZINC001059067218 681480400 /nfs/dbraw/zinc/48/04/00/681480400.db2.gz CQUQJMHYBXHPJX-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(NC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ncccc1O ZINC001028499291 681655797 /nfs/dbraw/zinc/65/57/97/681655797.db2.gz FUXAKVRPSXHEOP-CYBMUJFWSA-N -1 1 347.365 2.317 20 0 EEADMM CCn1c(CNC(=O)c2cccnc2OCC(C)C)n[n-]c1=S ZINC000066636111 681762172 /nfs/dbraw/zinc/76/21/72/681762172.db2.gz XLZINFVMMRAMDP-UHFFFAOYSA-N -1 1 335.433 2.320 20 0 EEADMM CCn1c(CNC(=O)Cc2cnn(-c3ccccc3)c2)n[n-]c1=S ZINC000066636187 681762890 /nfs/dbraw/zinc/76/28/90/681762890.db2.gz MQKWBFNMIQTHGH-UHFFFAOYSA-N -1 1 342.428 2.005 20 0 EEADMM COCc1nc(N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc(=O)[n-]1 ZINC000892633650 682026421 /nfs/dbraw/zinc/02/64/21/682026421.db2.gz VJAXASQKHOHXIA-LBPRGKRZSA-N -1 1 348.790 2.199 20 0 EEADMM CC(C)(CC(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000982734634 682119772 /nfs/dbraw/zinc/11/97/72/682119772.db2.gz WWJLGSZCBFBLHT-ZDUSSCGKSA-N -1 1 345.443 2.192 20 0 EEADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025175369 682158973 /nfs/dbraw/zinc/15/89/73/682158973.db2.gz ITTPVRAJYLSVTR-GFCCVEGCSA-N -1 1 349.479 2.053 20 0 EEADMM CCc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)cc1 ZINC000973198507 682295535 /nfs/dbraw/zinc/29/55/35/682295535.db2.gz XGBUCVRWEWJREE-SHTZXODSSA-N -1 1 339.395 2.040 20 0 EEADMM Cc1coc(-c2cccc(NC(=O)CN3CCC[C@H](C(=O)[O-])C3)c2)n1 ZINC000909553209 685644588 /nfs/dbraw/zinc/64/45/88/685644588.db2.gz UXTGYPOCPGASLH-AWEZNQCLSA-N -1 1 343.383 2.385 20 0 EEADMM CN(C(=O)C1CC(C)(C)C1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984115277 684117243 /nfs/dbraw/zinc/11/72/43/684117243.db2.gz QIROKSNADNLNBU-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000909490398 684171890 /nfs/dbraw/zinc/17/18/90/684171890.db2.gz BUFKTYJNPOTCSU-MRXNPFEDSA-N -1 1 332.400 2.496 20 0 EEADMM CC1=C(C)C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974058390 684271945 /nfs/dbraw/zinc/27/19/45/684271945.db2.gz WIBHJLXYBIGODU-SOUVJXGZSA-N -1 1 343.427 2.301 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C2CCCCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984457346 684565707 /nfs/dbraw/zinc/56/57/07/684565707.db2.gz AXTYHGYZLVPTKU-LSDHHAIUSA-N -1 1 345.443 2.477 20 0 EEADMM O=C(NCCOC[C@@H]1CCOC1)c1ccc2ccc(O)cc2c1[O-] ZINC000896284713 684927953 /nfs/dbraw/zinc/92/79/53/684927953.db2.gz XXUBOJKSDGODAJ-GFCCVEGCSA-N -1 1 331.368 2.034 20 0 EEADMM CC(C)(C)/C=C/C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514366 686259115 /nfs/dbraw/zinc/25/91/15/686259115.db2.gz BMYTUTPJACLBRT-MRZGDXHCSA-N -1 1 345.443 2.358 20 0 EEADMM C/C(=C/C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059514396 686259448 /nfs/dbraw/zinc/25/94/48/686259448.db2.gz CALZXKUMNNTTON-FZDNWWAKSA-N -1 1 343.427 2.112 20 0 EEADMM CC1(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CCCCCC1 ZINC000990975051 694140006 /nfs/dbraw/zinc/14/00/06/694140006.db2.gz LZTQCJWUZVWMPJ-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(C(=O)c2ccco2)CC1 ZINC000986741776 688875822 /nfs/dbraw/zinc/87/58/22/688875822.db2.gz RVFXNKJFDMXBBX-LBPRGKRZSA-N -1 1 343.383 2.051 20 0 EEADMM C[C@H](NC(=O)c1ccco1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000986855986 688978762 /nfs/dbraw/zinc/97/87/62/688978762.db2.gz MEBHUSYPJJOZRJ-LBPRGKRZSA-N -1 1 343.383 2.051 20 0 EEADMM NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c1 ZINC000042789888 694252855 /nfs/dbraw/zinc/25/28/55/694252855.db2.gz JVYPAZYFMCMDAR-UHFFFAOYSA-N -1 1 338.816 2.368 20 0 EEADMM Nc1nc([O-])c(CC(=O)NC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000079730324 689184794 /nfs/dbraw/zinc/18/47/94/689184794.db2.gz RTWFPSLPCLHLHV-LLVKDONJSA-N -1 1 337.832 2.182 20 0 EEADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1OCC ZINC000904047581 694281855 /nfs/dbraw/zinc/28/18/55/694281855.db2.gz GVYNWCXZKFTYCK-KRWDZBQOSA-N -1 1 347.415 2.441 20 0 EEADMM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000866952506 689524234 /nfs/dbraw/zinc/52/42/34/689524234.db2.gz DDACJJAMMNZUFH-MRVPVSSYSA-N -1 1 336.255 2.419 20 0 EEADMM Cc1ccsc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC000987240320 689527725 /nfs/dbraw/zinc/52/77/25/689527725.db2.gz LIYKCGDUNBKUQA-NEPJUHHUSA-N -1 1 345.424 2.190 20 0 EEADMM CC1(C)C[C@@H](O)CN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC000904256559 694342572 /nfs/dbraw/zinc/34/25/72/694342572.db2.gz BSBFVSVDTCYSNS-CQSZACIVSA-N -1 1 336.432 2.173 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)[C@]2(C)CC=CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000988203022 690414135 /nfs/dbraw/zinc/41/41/35/690414135.db2.gz PMRNGDOLNMYNCP-BIENJYKASA-N -1 1 343.427 2.253 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H](n2ccnn2)C1 ZINC000898012014 691841791 /nfs/dbraw/zinc/84/17/91/691841791.db2.gz OSLDPCQFGPKWIT-ZDUSSCGKSA-N -1 1 338.367 2.320 20 0 EEADMM O=C(N[C@@]12CCC[C@H]1N(Cc1ccns1)CC2)c1ncccc1[O-] ZINC000990398773 692876170 /nfs/dbraw/zinc/87/61/70/692876170.db2.gz ORYHCUIQHNRLCU-RHSMWYFYSA-N -1 1 344.440 2.171 20 0 EEADMM O=C(NCC1[C@H]2CN(C/C(Cl)=C/Cl)C[C@@H]12)c1ncccc1[O-] ZINC000978063389 693267099 /nfs/dbraw/zinc/26/70/99/693267099.db2.gz LVOBQGCCHYORJK-TURIVCSCSA-N -1 1 342.226 2.014 20 0 EEADMM CCC(C)(CC)C(=O)N1CC[C@@H](NC(=O)c2cnn[nH]2)CC(C)(C)C1 ZINC000990726444 693417556 /nfs/dbraw/zinc/41/75/56/693417556.db2.gz OFDAEAIRWYTTBU-CYBMUJFWSA-N -1 1 349.479 2.378 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000081755621 1192498340 /nfs/dbraw/zinc/49/83/40/1192498340.db2.gz SUQULBYLBOERAV-CQSZACIVSA-N -1 1 341.415 2.108 20 0 EEADMM Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ncccc2[O-])cs1 ZINC000943976173 1192732987 /nfs/dbraw/zinc/73/29/87/1192732987.db2.gz DTEQSFUQZYMJQQ-CYBMUJFWSA-N -1 1 345.424 2.192 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000944173833 1192928153 /nfs/dbraw/zinc/92/81/53/1192928153.db2.gz 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EEADMM C[C@]1(CNC(=O)c2ccc(-c3nn[n-]n3)o2)CCCc2ccccc21 ZINC001609148060 1351862490 /nfs/dbraw/zinc/86/24/90/1351862490.db2.gz BQLXSLVVKJMYRV-GOSISDBHSA-N -1 1 337.383 2.484 20 0 EEADMM CC1(c2ccccc2)CCN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609152146 1351864348 /nfs/dbraw/zinc/86/43/48/1351864348.db2.gz VCEWILFQNZUWKX-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM CC1(c2ccccc2)CCN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609152146 1351864354 /nfs/dbraw/zinc/86/43/54/1351864354.db2.gz VCEWILFQNZUWKX-UHFFFAOYSA-N -1 1 348.410 2.456 20 0 EEADMM COCC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324785458 1333759744 /nfs/dbraw/zinc/75/97/44/1333759744.db2.gz QOJYYDURRRZNKN-UHFFFAOYSA-N -1 1 327.233 2.339 20 0 EEADMM CC[C@@H](O)CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccccc1 ZINC001609195272 1351886131 /nfs/dbraw/zinc/88/61/31/1351886131.db2.gz FLNQFRGFXSPFHU-CYBMUJFWSA-N -1 1 344.444 2.096 20 0 EEADMM CC[C@@H](O)CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccccc1 ZINC001609195272 1351886132 /nfs/dbraw/zinc/88/61/32/1351886132.db2.gz FLNQFRGFXSPFHU-CYBMUJFWSA-N -1 1 344.444 2.096 20 0 EEADMM CC[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)c2ccccc2O1 ZINC001609201849 1351888916 /nfs/dbraw/zinc/88/89/16/1351888916.db2.gz RUROHQRNDZORRX-NSHDSACASA-N -1 1 336.355 2.080 20 0 EEADMM CC[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)c2ccccc2O1 ZINC001609201849 1351888920 /nfs/dbraw/zinc/88/89/20/1351888920.db2.gz RUROHQRNDZORRX-NSHDSACASA-N -1 1 336.355 2.080 20 0 EEADMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC001609219929 1351898386 /nfs/dbraw/zinc/89/83/86/1351898386.db2.gz QCLLWRRBZWBOLQ-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC001609219929 1351898392 /nfs/dbraw/zinc/89/83/92/1351898392.db2.gz QCLLWRRBZWBOLQ-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM COc1cc(CNc2ncncc2-c2nn[n-]n2)ccc1OC(C)C ZINC001609345603 1351940146 /nfs/dbraw/zinc/94/01/46/1351940146.db2.gz PNPKLFYFCPOPPX-UHFFFAOYSA-N -1 1 341.375 2.065 20 0 EEADMM COc1ccc(OCCOC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001609358450 1351946090 /nfs/dbraw/zinc/94/60/90/1351946090.db2.gz AJKWNVGNKQEUJC-UHFFFAOYSA-N -1 1 346.368 2.173 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609357190 1351945051 /nfs/dbraw/zinc/94/50/51/1351945051.db2.gz MFDZRZMQVLVPEC-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc(Cl)cc1N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609357190 1351945055 /nfs/dbraw/zinc/94/50/55/1351945055.db2.gz MFDZRZMQVLVPEC-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1cncc(-c2nnn[n-]2)n1 ZINC001609359353 1351945639 /nfs/dbraw/zinc/94/56/39/1351945639.db2.gz LQKCSHSYQBOKTE-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1cncc(-c2nn[n-]n2)n1 ZINC001609359353 1351945640 /nfs/dbraw/zinc/94/56/40/1351945640.db2.gz LQKCSHSYQBOKTE-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[nH]2)cc1F ZINC001609353693 1351943043 /nfs/dbraw/zinc/94/30/43/1351943043.db2.gz OCWVWNGDNUEZMN-VURMDHGXSA-N -1 1 342.334 2.379 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609435501 1351976133 /nfs/dbraw/zinc/97/61/33/1351976133.db2.gz VLBWADYRJHBOBM-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609435501 1351976134 /nfs/dbraw/zinc/97/61/34/1351976134.db2.gz VLBWADYRJHBOBM-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC001609444764 1351980792 /nfs/dbraw/zinc/98/07/92/1351980792.db2.gz RJDDFSKHLCTERX-QWRGUYRKSA-N -1 1 343.778 2.294 20 0 EEADMM Cc1nsc(NCCc2nc3ccccc3o2)c1-c1nn[n-]n1 ZINC001609466580 1351988509 /nfs/dbraw/zinc/98/85/09/1351988509.db2.gz XPBGEQFGKNVHHS-UHFFFAOYSA-N -1 1 327.373 2.427 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001609467781 1351988919 /nfs/dbraw/zinc/98/89/19/1351988919.db2.gz SSQFFWLMLDMFIP-KWQFWETISA-N -1 1 327.344 2.415 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001609467781 1351988921 /nfs/dbraw/zinc/98/89/21/1351988921.db2.gz SSQFFWLMLDMFIP-KWQFWETISA-N -1 1 327.344 2.415 20 0 EEADMM O=C(Nc1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)o1 ZINC001609562033 1352017465 /nfs/dbraw/zinc/01/74/65/1352017465.db2.gz OSFZPGNKAYHUTJ-UHFFFAOYSA-N -1 1 339.233 2.453 20 0 EEADMM Clc1ccc(OCCOCc2nn[n-]n2)c(Br)c1 ZINC001332447710 1335826350 /nfs/dbraw/zinc/82/63/50/1335826350.db2.gz HKTACUSKPXLVBO-UHFFFAOYSA-N -1 1 333.573 2.211 20 0 EEADMM Cc1nn(-c2ccccn2)c(Cl)c1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001332473820 1335831314 /nfs/dbraw/zinc/83/13/14/1335831314.db2.gz SODLEKPAQOEGRL-VXGBXAGGSA-N -1 1 332.791 2.348 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001609578674 1352024405 /nfs/dbraw/zinc/02/44/05/1352024405.db2.gz XEYWOROVESZXKW-GHMZBOCLSA-N -1 1 345.359 2.309 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001609578674 1352024407 /nfs/dbraw/zinc/02/44/07/1352024407.db2.gz XEYWOROVESZXKW-GHMZBOCLSA-N -1 1 345.359 2.309 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1cnn(Cc2cccnc2)c1 ZINC001609620239 1352043213 /nfs/dbraw/zinc/04/32/13/1352043213.db2.gz OPYVKRLNCHABAO-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM CC(C)(C)c1nnc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001609671700 1352055161 /nfs/dbraw/zinc/05/51/61/1352055161.db2.gz GVTCPERLWCQDNK-UONOGXRCSA-N -1 1 345.399 2.373 20 0 EEADMM CC(C)(C)c1nnc(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)o1 ZINC001609671700 1352055165 /nfs/dbraw/zinc/05/51/65/1352055165.db2.gz GVTCPERLWCQDNK-UONOGXRCSA-N -1 1 345.399 2.373 20 0 EEADMM C[C@H](c1ccc(Br)cc1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001609809238 1352090539 /nfs/dbraw/zinc/09/05/39/1352090539.db2.gz WAAHJTCMUALRBD-IRUJWGPZSA-N -1 1 328.206 2.278 20 0 EEADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001609836966 1352097842 /nfs/dbraw/zinc/09/78/42/1352097842.db2.gz OPDSEOLJOMWFBL-WRWGMCAJSA-N -1 1 348.390 2.282 20 0 EEADMM C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001609862533 1352105583 /nfs/dbraw/zinc/10/55/83/1352105583.db2.gz PBBIRABHANMERN-MEDUHNTESA-N -1 1 328.368 2.259 20 0 EEADMM C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)CCN1CCC(=O)[O-] ZINC001609863842 1352105628 /nfs/dbraw/zinc/10/56/28/1352105628.db2.gz GJNULIFQMBHHGN-OAHLLOKOSA-N -1 1 340.423 2.390 20 0 EEADMM C[C@H]1CN(C(=O)c2coc3ccc(F)cc32)CCN1CCC(=O)[O-] ZINC001609869989 1352107531 /nfs/dbraw/zinc/10/75/31/1352107531.db2.gz ZZXDGUZLZBOWDP-NSHDSACASA-N -1 1 334.347 2.193 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCCO[C@@H](C)C1 ZINC001340287912 1337151606 /nfs/dbraw/zinc/15/16/06/1337151606.db2.gz LAZRLVLCJPOURP-JTQLQIEISA-N -1 1 337.811 2.334 20 0 EEADMM CCOCCC1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2OC)CC1 ZINC001341005374 1337274249 /nfs/dbraw/zinc/27/42/49/1337274249.db2.gz PHMDOZXYZPLHRM-UHFFFAOYSA-N -1 1 349.399 2.459 20 0 EEADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1c[nH]cc(Cl)c1=O ZINC001344664985 1337408445 /nfs/dbraw/zinc/40/84/45/1337408445.db2.gz SHDAVUDKIFCGNP-UHFFFAOYSA-N -1 1 347.710 2.197 20 0 EEADMM CCN1CCCC[C@@H]1C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001610006804 1352139469 /nfs/dbraw/zinc/13/94/69/1352139469.db2.gz FUGUIXQCQYTQNV-VQIMIIECSA-N -1 1 332.444 2.410 20 0 EEADMM CCN(Cc1cccs1)c1nnc(Cc2nnn[n-]2)n1CC(C)C ZINC001347503236 1337511749 /nfs/dbraw/zinc/51/17/49/1337511749.db2.gz RLBYFMJQRHOSGE-UHFFFAOYSA-N -1 1 346.464 2.126 20 0 EEADMM CCN(Cc1cccs1)c1nnc(Cc2nn[n-]n2)n1CC(C)C ZINC001347503236 1337511751 /nfs/dbraw/zinc/51/17/51/1337511751.db2.gz RLBYFMJQRHOSGE-UHFFFAOYSA-N -1 1 346.464 2.126 20 0 EEADMM Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001350233541 1337685555 /nfs/dbraw/zinc/68/55/55/1337685555.db2.gz FWPFXIUQYNXRRY-AWEZNQCLSA-N -1 1 334.383 2.200 20 0 EEADMM COCC(C)(C)N1CCN(C(=O)Nc2ccc(C)cc2C(=O)[O-])CC1 ZINC001610242694 1352193502 /nfs/dbraw/zinc/19/35/02/1352193502.db2.gz PVZFOOTZBFDAEG-UHFFFAOYSA-N -1 1 349.431 2.268 20 0 EEADMM COc1ccc([C@@H]2CCN(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001610329278 1352206676 /nfs/dbraw/zinc/20/66/76/1352206676.db2.gz SOVJKQYTVHOEKP-WBVHZDCISA-N -1 1 348.443 2.100 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3ccsc3C(=O)[O-])CC2)no1 ZINC001610436354 1352222124 /nfs/dbraw/zinc/22/21/24/1352222124.db2.gz RTMHHAYDLJANDR-UHFFFAOYSA-N -1 1 349.412 2.137 20 0 EEADMM Cc1c(NC(=O)NCc2n[nH]c(C3CC3)n2)ccc(F)c1C(=O)[O-] ZINC001610423517 1352220302 /nfs/dbraw/zinc/22/03/02/1352220302.db2.gz KSFLYPKDLABXFL-UHFFFAOYSA-N -1 1 333.323 2.150 20 0 EEADMM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610479660 1352229914 /nfs/dbraw/zinc/22/99/14/1352229914.db2.gz JINJQNOVBYBWRN-UHFFFAOYSA-N -1 1 346.368 2.074 20 0 EEADMM Cc1cccc2nc(CNS(=O)(=O)c3ccccc3C(=O)[O-])[nH]c21 ZINC001610526373 1352238913 /nfs/dbraw/zinc/23/89/13/1352238913.db2.gz SONBBWRZUBMMAS-UHFFFAOYSA-N -1 1 345.380 2.048 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)Cc1ccsc1C ZINC001416209508 1339116518 /nfs/dbraw/zinc/11/65/18/1339116518.db2.gz PRZKULANFWSYFB-ZDUSSCGKSA-N -1 1 347.440 2.024 20 0 EEADMM Cc1cnn(CC2CC2)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001610541536 1352242162 /nfs/dbraw/zinc/24/21/62/1352242162.db2.gz HRBZIZSGBBZDNW-UHFFFAOYSA-N -1 1 349.412 2.409 20 0 EEADMM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001610575766 1352247797 /nfs/dbraw/zinc/24/77/97/1352247797.db2.gz NAQWPUNUBFJQDN-OAHLLOKOSA-N -1 1 347.415 2.428 20 0 EEADMM O=C([O-])C[C@]1(NCc2cccc(O)c2Br)CCCOC1 ZINC001610758574 1352269850 /nfs/dbraw/zinc/26/98/50/1352269850.db2.gz XIJYTADLZVUKBM-CQSZACIVSA-N -1 1 344.205 2.268 20 0 EEADMM O=C([O-])CC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC001610763311 1352270590 /nfs/dbraw/zinc/27/05/90/1352270590.db2.gz UQTLVSHRIJIYCO-UHFFFAOYSA-N -1 1 330.428 2.364 20 0 EEADMM O=C([O-])Cc1occc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC001610798781 1352276535 /nfs/dbraw/zinc/27/65/35/1352276535.db2.gz QYZIHOSFDCUBIK-UHFFFAOYSA-N -1 1 343.339 2.079 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001556827535 1342434944 /nfs/dbraw/zinc/43/49/44/1342434944.db2.gz ODGDHSOLZJPBFF-UHFFFAOYSA-N -1 1 337.383 2.464 20 0 EEADMM Cc1nc(-c2ccsc2)ccc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001557703465 1342452855 /nfs/dbraw/zinc/45/28/55/1342452855.db2.gz MXBSWTFATCNILG-UHFFFAOYSA-N -1 1 342.380 2.250 20 0 EEADMM O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001563130644 1342541675 /nfs/dbraw/zinc/54/16/75/1342541675.db2.gz JOWWPNVUTQJOIQ-CQSZACIVSA-N -1 1 344.396 2.495 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576398864 1344009637 /nfs/dbraw/zinc/00/96/37/1344009637.db2.gz QHXMCVXFFKNMMQ-NJHLSQGMSA-N -1 1 347.448 2.001 20 0 EEADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001576927423 1344076475 /nfs/dbraw/zinc/07/64/75/1344076475.db2.gz WXOPMKGXHDIRFZ-AWEZNQCLSA-N -1 1 340.362 2.152 20 0 EEADMM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001576927423 1344076478 /nfs/dbraw/zinc/07/64/78/1344076478.db2.gz WXOPMKGXHDIRFZ-AWEZNQCLSA-N -1 1 340.362 2.152 20 0 EEADMM CCOC(=O)c1c(F)cccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001578252386 1344255514 /nfs/dbraw/zinc/25/55/14/1344255514.db2.gz XRCQTIXWXDZKSW-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM CCOC(=O)c1c(F)cccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578252386 1344255517 /nfs/dbraw/zinc/25/55/17/1344255517.db2.gz XRCQTIXWXDZKSW-UHFFFAOYSA-N -1 1 345.290 2.028 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)c1 ZINC001579478815 1344387100 /nfs/dbraw/zinc/38/71/00/1344387100.db2.gz VZRMDPBJALWNRU-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COC(=O)c1cc(C)cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)c1 ZINC001579478815 1344387103 /nfs/dbraw/zinc/38/71/03/1344387103.db2.gz VZRMDPBJALWNRU-UHFFFAOYSA-N -1 1 341.327 2.115 20 0 EEADMM COc1cc(Oc2nnccc2-c2nnn[n-]2)ccc1Br ZINC001579937529 1344436607 /nfs/dbraw/zinc/43/66/07/1344436607.db2.gz OEYXKKNSRHTFIN-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1cc(Oc2nnccc2-c2nn[n-]n2)ccc1Br ZINC001579937529 1344436611 /nfs/dbraw/zinc/43/66/11/1344436611.db2.gz OEYXKKNSRHTFIN-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM C[S@@](=O)Cc1ccccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580172946 1344484909 /nfs/dbraw/zinc/48/49/09/1344484909.db2.gz SHAZALXESYHVHU-HSZRJFAPSA-N -1 1 347.425 2.059 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)ccc1O ZINC001580870435 1344566723 /nfs/dbraw/zinc/56/67/23/1344566723.db2.gz BYMLTMUHRCYVOX-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1cc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)ccc1O ZINC001580870435 1344566725 /nfs/dbraw/zinc/56/67/25/1344566725.db2.gz BYMLTMUHRCYVOX-UHFFFAOYSA-N -1 1 345.309 2.089 20 0 EEADMM Cc1ccc(OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc12 ZINC001581209322 1344597172 /nfs/dbraw/zinc/59/71/72/1344597172.db2.gz BSHCTTXGHQDMMI-LLVKDONJSA-N -1 1 349.354 2.086 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001581256991 1344607857 /nfs/dbraw/zinc/60/78/57/1344607857.db2.gz XDTQCLKUYVZPOQ-UHFFFAOYSA-N -1 1 346.394 2.038 20 0 EEADMM Cc1ccccc1C1=CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001581256991 1344607859 /nfs/dbraw/zinc/60/78/59/1344607859.db2.gz XDTQCLKUYVZPOQ-UHFFFAOYSA-N -1 1 346.394 2.038 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccccc1C(F)(F)F ZINC001581909040 1344687112 /nfs/dbraw/zinc/68/71/12/1344687112.db2.gz NCGOQHRUTWSDMX-WAYWQWQTSA-N -1 1 349.276 2.018 20 0 EEADMM O=C(Cc1cccc(-c2nn[nH]n2)c1)NCc1ccc([O-])c(Cl)c1 ZINC001582146786 1344706205 /nfs/dbraw/zinc/70/62/05/1344706205.db2.gz JUNHYLMLJUEBKM-UHFFFAOYSA-N -1 1 343.774 2.085 20 0 EEADMM O=C(N[C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cccc([O-])c1F ZINC001582328121 1344732394 /nfs/dbraw/zinc/73/23/94/1344732394.db2.gz LXAMAAXAWXHCTP-ZDUSSCGKSA-N -1 1 339.330 2.129 20 0 EEADMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1csc(-c2nn[n-]n2)c1 ZINC001582343891 1344739257 /nfs/dbraw/zinc/73/92/57/1344739257.db2.gz HPLFUNYBXUZONP-SECBINFHSA-N -1 1 349.322 2.070 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@]12C[C@H]1CCCC2 ZINC001582549612 1344761088 /nfs/dbraw/zinc/76/10/88/1344761088.db2.gz HDVHVPPEOSHUIQ-BMIGLBTASA-N -1 1 332.433 2.308 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1scnc1C(F)F ZINC001582551603 1344761360 /nfs/dbraw/zinc/76/13/60/1344761360.db2.gz SJDBBSDFDHDWHY-UHFFFAOYSA-N -1 1 342.356 2.252 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cccc2c1OCC2 ZINC001582653563 1344778273 /nfs/dbraw/zinc/77/82/73/1344778273.db2.gz KPSPXSWIJSACLK-UHFFFAOYSA-N -1 1 348.775 2.164 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1O ZINC001589104504 1348960704 /nfs/dbraw/zinc/96/07/04/1348960704.db2.gz DPKCLSYNDVCZTO-MWLCHTKSSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)[C@@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1O ZINC001589104504 1348960709 /nfs/dbraw/zinc/96/07/09/1348960709.db2.gz DPKCLSYNDVCZTO-MWLCHTKSSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)CN(CCCO)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001589128794 1348963477 /nfs/dbraw/zinc/96/34/77/1348963477.db2.gz HQDCODFVJUUWCF-UHFFFAOYSA-N -1 1 330.845 2.212 20 0 EEADMM CC(C)(C)CN(CCCO)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589128794 1348963480 /nfs/dbraw/zinc/96/34/80/1348963480.db2.gz HQDCODFVJUUWCF-UHFFFAOYSA-N -1 1 330.845 2.212 20 0 EEADMM CC(C)(CNC(=O)c1ccsc1-c1nnn[n-]1)c1cccnc1 ZINC001589286466 1348979075 /nfs/dbraw/zinc/97/90/75/1348979075.db2.gz IMBVJCKRFVRSKF-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccsc1-c1nn[n-]n1)c1cccnc1 ZINC001589286466 1348979078 /nfs/dbraw/zinc/97/90/78/1348979078.db2.gz IMBVJCKRFVRSKF-UHFFFAOYSA-N -1 1 328.401 2.031 20 0 EEADMM CC(C)=CCCn1cc(-c2nnn[n-]2)c(I)n1 ZINC001589377800 1348988343 /nfs/dbraw/zinc/98/83/43/1348988343.db2.gz WHLLOQTXFVUQSH-UHFFFAOYSA-N -1 1 344.160 2.024 20 0 EEADMM CC(C)=CCCn1cc(-c2nn[n-]n2)c(I)n1 ZINC001589377800 1348988345 /nfs/dbraw/zinc/98/83/45/1348988345.db2.gz WHLLOQTXFVUQSH-UHFFFAOYSA-N -1 1 344.160 2.024 20 0 EEADMM CC(C)[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC001589488737 1348994966 /nfs/dbraw/zinc/99/49/66/1348994966.db2.gz ZHOPKGUHCHCPNP-ZDUSSCGKSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC001589488737 1348994969 /nfs/dbraw/zinc/99/49/69/1348994969.db2.gz ZHOPKGUHCHCPNP-ZDUSSCGKSA-N -1 1 332.433 2.001 20 0 EEADMM CC(C)CCC1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)CC1 ZINC001589585074 1349006786 /nfs/dbraw/zinc/00/67/86/1349006786.db2.gz CENXLYKSPHRMJA-UHFFFAOYSA-N -1 1 330.436 2.134 20 0 EEADMM CC(C)C[C@H](NCc1csc(-c2nn[n-]n2)c1)C(=O)OC(C)C ZINC001589660515 1349016609 /nfs/dbraw/zinc/01/66/09/1349016609.db2.gz VUFOZQMTCHSNDF-LBPRGKRZSA-N -1 1 337.449 2.384 20 0 EEADMM CC(C)Cc1nnc([N-]C(=O)c2sccc2-c2nn[nH]n2)s1 ZINC001589665110 1349017447 /nfs/dbraw/zinc/01/74/47/1349017447.db2.gz MSOMHFJZQDNCBI-UHFFFAOYSA-N -1 1 335.418 2.231 20 0 EEADMM CC(C)O[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001589736242 1349024465 /nfs/dbraw/zinc/02/44/65/1349024465.db2.gz UFDCUWNLEZOXGO-HNNXBMFYSA-N -1 1 338.371 2.367 20 0 EEADMM CC(C)O[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001589736242 1349024467 /nfs/dbraw/zinc/02/44/67/1349024467.db2.gz UFDCUWNLEZOXGO-HNNXBMFYSA-N -1 1 338.371 2.367 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589821443 1349051041 /nfs/dbraw/zinc/05/10/41/1349051041.db2.gz RTLBAAUQYAEQRU-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589821443 1349051044 /nfs/dbraw/zinc/05/10/44/1349051044.db2.gz RTLBAAUQYAEQRU-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@@H](COCc1ccccc1)OC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001589886883 1349055388 /nfs/dbraw/zinc/05/53/88/1349055388.db2.gz YIMRXRNCLLWSJB-NSHDSACASA-N -1 1 328.328 2.222 20 0 EEADMM C[C@@H](COCc1ccccc1)OC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001589886883 1349055393 /nfs/dbraw/zinc/05/53/93/1349055393.db2.gz YIMRXRNCLLWSJB-NSHDSACASA-N -1 1 328.328 2.222 20 0 EEADMM C[C@]1(C(=O)OCc2cccnc2-c2nnn[n-]2)CCc2ccccc21 ZINC001590074618 1349139048 /nfs/dbraw/zinc/13/90/48/1349139048.db2.gz VNNOXSBLRYAYFB-SFHVURJKSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@]1(C(=O)OCc2cccnc2-c2nn[n-]n2)CCc2ccccc21 ZINC001590074618 1349139051 /nfs/dbraw/zinc/13/90/51/1349139051.db2.gz VNNOXSBLRYAYFB-SFHVURJKSA-N -1 1 335.367 2.209 20 0 EEADMM C[C@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590152497 1349175611 /nfs/dbraw/zinc/17/56/11/1349175611.db2.gz AITBDAKTBKTYFO-LJQANCHMSA-N -1 1 348.410 2.342 20 0 EEADMM C[C@]1(c2ccccc2)CCCN1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590152497 1349175617 /nfs/dbraw/zinc/17/56/17/1349175617.db2.gz AITBDAKTBKTYFO-LJQANCHMSA-N -1 1 348.410 2.342 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)[C@H]1c1ccccc1 ZINC001590165950 1349182879 /nfs/dbraw/zinc/18/28/79/1349182879.db2.gz QUUIIJRIQHIRAG-CUOATXAZSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)[C@H]1c1ccccc1 ZINC001590165950 1349182881 /nfs/dbraw/zinc/18/28/81/1349182881.db2.gz QUUIIJRIQHIRAG-CUOATXAZSA-N -1 1 341.396 2.416 20 0 EEADMM C[C@@H]1CC2(CN1c1ccc(Cl)c(-c3nnn[n-]3)n1)CCOCC2 ZINC001590223451 1349209558 /nfs/dbraw/zinc/20/95/58/1349209558.db2.gz QOBBXRMKHJVILS-SNVBAGLBSA-N -1 1 334.811 2.311 20 0 EEADMM C[C@@H]1CC2(CN1c1ccc(Cl)c(-c3nn[n-]n3)n1)CCOCC2 ZINC001590223451 1349209565 /nfs/dbraw/zinc/20/95/65/1349209565.db2.gz QOBBXRMKHJVILS-SNVBAGLBSA-N -1 1 334.811 2.311 20 0 EEADMM C[C@@H]1CC[C@](C)(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1(C)C ZINC001590225683 1349211596 /nfs/dbraw/zinc/21/15/96/1349211596.db2.gz VRWFGOOECTYVBS-LTCYEIGGSA-N -1 1 329.408 2.304 20 0 EEADMM C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590251888 1349226662 /nfs/dbraw/zinc/22/66/62/1349226662.db2.gz JNKDXRPWXKTDIV-GXTWGEPZSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CCCC[C@@H]1CCNC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590251888 1349226666 /nfs/dbraw/zinc/22/66/66/1349226666.db2.gz JNKDXRPWXKTDIV-GXTWGEPZSA-N -1 1 328.420 2.137 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2ccc(F)cc2O1 ZINC001590299035 1349252257 /nfs/dbraw/zinc/25/22/57/1349252257.db2.gz SVMODGACPVQRGX-QMMMGPOBSA-N -1 1 329.291 2.027 20 0 EEADMM CCC(=O)N(C)c1ccc(Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1 ZINC001590360310 1349282910 /nfs/dbraw/zinc/28/29/10/1349282910.db2.gz XSXFXHDVGKOVTM-UHFFFAOYSA-N -1 1 338.375 2.082 20 0 EEADMM CCC(=O)N(C)c1ccc(Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1 ZINC001590360310 1349282916 /nfs/dbraw/zinc/28/29/16/1349282916.db2.gz XSXFXHDVGKOVTM-UHFFFAOYSA-N -1 1 338.375 2.082 20 0 EEADMM CC[C@@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001590446199 1349328978 /nfs/dbraw/zinc/32/89/78/1349328978.db2.gz PQADBRBPLUDXKJ-NSHDSACASA-N -1 1 347.423 2.285 20 0 EEADMM CC[C@@H](CNc1cc(C)nc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001590446199 1349328984 /nfs/dbraw/zinc/32/89/84/1349328984.db2.gz PQADBRBPLUDXKJ-NSHDSACASA-N -1 1 347.423 2.285 20 0 EEADMM CCCc1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n(C)n1 ZINC001590657509 1349382851 /nfs/dbraw/zinc/38/28/51/1349382851.db2.gz KGLUJVNJSRHWTR-UHFFFAOYSA-N -1 1 347.329 2.083 20 0 EEADMM CCCc1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n(C)n1 ZINC001590657509 1349382857 /nfs/dbraw/zinc/38/28/57/1349382857.db2.gz KGLUJVNJSRHWTR-UHFFFAOYSA-N -1 1 347.329 2.083 20 0 EEADMM CCN(CC)Cc1csc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001590688356 1349390418 /nfs/dbraw/zinc/39/04/18/1349390418.db2.gz FGRXHFQGUUTRJB-UHFFFAOYSA-N -1 1 347.404 2.010 20 0 EEADMM CCN(CC)Cc1csc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001590688356 1349390422 /nfs/dbraw/zinc/39/04/22/1349390422.db2.gz FGRXHFQGUUTRJB-UHFFFAOYSA-N -1 1 347.404 2.010 20 0 EEADMM CCOc1cc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)ccc1OC ZINC001590827967 1349402179 /nfs/dbraw/zinc/40/21/79/1349402179.db2.gz DZHTWPCGVADIRA-UHFFFAOYSA-N -1 1 341.375 2.370 20 0 EEADMM CCOc1cc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)ccc1OC ZINC001590827967 1349402184 /nfs/dbraw/zinc/40/21/84/1349402184.db2.gz DZHTWPCGVADIRA-UHFFFAOYSA-N -1 1 341.375 2.370 20 0 EEADMM CCc1nc(N[C@H]2C[C@]2(F)c2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590917439 1349412777 /nfs/dbraw/zinc/41/27/77/1349412777.db2.gz PQNQRUPLENMPCG-LRDDRELGSA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nc(N[C@H]2C[C@]2(F)c2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590917439 1349412786 /nfs/dbraw/zinc/41/27/86/1349412786.db2.gz PQNQRUPLENMPCG-LRDDRELGSA-N -1 1 325.351 2.268 20 0 EEADMM CCc1nc(NCCc2csc(C(C)C)n2)cc(-c2nnn[n-]2)n1 ZINC001590922604 1349412943 /nfs/dbraw/zinc/41/29/43/1349412943.db2.gz QMSRFUCGFDYDBA-UHFFFAOYSA-N -1 1 344.448 2.454 20 0 EEADMM CCc1nc(NCCc2csc(C(C)C)n2)cc(-c2nn[n-]n2)n1 ZINC001590922604 1349412945 /nfs/dbraw/zinc/41/29/45/1349412945.db2.gz QMSRFUCGFDYDBA-UHFFFAOYSA-N -1 1 344.448 2.454 20 0 EEADMM CCc1nnc(CSCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001590930717 1349418276 /nfs/dbraw/zinc/41/82/76/1349418276.db2.gz MDFRQAZHYYHIEC-UHFFFAOYSA-N -1 1 325.448 2.171 20 0 EEADMM CCc1nnc(CSCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001590930717 1349418288 /nfs/dbraw/zinc/41/82/88/1349418288.db2.gz MDFRQAZHYYHIEC-UHFFFAOYSA-N -1 1 325.448 2.171 20 0 EEADMM CN(C(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001590978142 1349426713 /nfs/dbraw/zinc/42/67/13/1349426713.db2.gz KZOKKGKAOBPOIB-LBPRGKRZSA-N -1 1 341.202 2.199 20 0 EEADMM CN(C(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001590978142 1349426721 /nfs/dbraw/zinc/42/67/21/1349426721.db2.gz KZOKKGKAOBPOIB-LBPRGKRZSA-N -1 1 341.202 2.199 20 0 EEADMM CN([C@@H]1CCC(C)(C)C1)S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001591036911 1349433485 /nfs/dbraw/zinc/43/34/85/1349433485.db2.gz FVUJLVIBNVOACV-SECBINFHSA-N -1 1 341.462 2.127 20 0 EEADMM COC(=O)c1cc(COc2ccc(F)nc2-c2nn[n-]n2)ccc1C ZINC001591289073 1349456770 /nfs/dbraw/zinc/45/67/70/1349456770.db2.gz NQTICEBQPYPTKJ-UHFFFAOYSA-N -1 1 343.318 2.075 20 0 EEADMM COCCOc1cccc(CNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001591445059 1349484656 /nfs/dbraw/zinc/48/46/56/1349484656.db2.gz GRLNJQDCMVFAKZ-UHFFFAOYSA-N -1 1 346.416 2.269 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591646804 1349523696 /nfs/dbraw/zinc/52/36/96/1349523696.db2.gz MUGPRDLWKMRQFY-UHFFFAOYSA-N -1 1 344.400 2.248 20 0 EEADMM COc1ccccc1C(C)(C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591646804 1349523707 /nfs/dbraw/zinc/52/37/07/1349523707.db2.gz MUGPRDLWKMRQFY-UHFFFAOYSA-N -1 1 344.400 2.248 20 0 EEADMM COc1ccccc1C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001591653610 1349525990 /nfs/dbraw/zinc/52/59/90/1349525990.db2.gz RNPIPYPSSGVDGC-ZDUSSCGKSA-N -1 1 339.403 2.345 20 0 EEADMM COc1ccccc1C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001591653610 1349525994 /nfs/dbraw/zinc/52/59/94/1349525994.db2.gz RNPIPYPSSGVDGC-ZDUSSCGKSA-N -1 1 339.403 2.345 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC001591654575 1349527321 /nfs/dbraw/zinc/52/73/21/1349527321.db2.gz UVMJXTWBWHRZQL-VHSXEESVSA-N -1 1 342.384 2.074 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC001591654575 1349527329 /nfs/dbraw/zinc/52/73/29/1349527329.db2.gz UVMJXTWBWHRZQL-VHSXEESVSA-N -1 1 342.384 2.074 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2nccc(C)c2c1 ZINC001591935408 1349559623 /nfs/dbraw/zinc/55/96/23/1349559623.db2.gz OWVJHIOPXVEVID-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2nccc(C)c2c1 ZINC001591935408 1349559627 /nfs/dbraw/zinc/55/96/27/1349559627.db2.gz OWVJHIOPXVEVID-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1cc(C)c(CCNC(=O)c2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001591946164 1349565680 /nfs/dbraw/zinc/56/56/80/1349565680.db2.gz BOIGUTODMRGLCK-UHFFFAOYSA-N -1 1 336.399 2.159 20 0 EEADMM Cc1cc(C)c(CCNC(=O)c2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001591946164 1349565687 /nfs/dbraw/zinc/56/56/87/1349565687.db2.gz BOIGUTODMRGLCK-UHFFFAOYSA-N -1 1 336.399 2.159 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001592161433 1349600318 /nfs/dbraw/zinc/60/03/18/1349600318.db2.gz HZDAFFCOTKQWLM-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM Cc1nsc(NC(=O)NCc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001592161433 1349600321 /nfs/dbraw/zinc/60/03/21/1349600321.db2.gz HZDAFFCOTKQWLM-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM Cc1ccc(F)c2oc(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)cc21 ZINC001592172940 1349601495 /nfs/dbraw/zinc/60/14/95/1349601495.db2.gz KJBKHPHPEXWIED-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1ccc(F)c2oc(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)cc21 ZINC001592172940 1349601499 /nfs/dbraw/zinc/60/14/99/1349601499.db2.gz KJBKHPHPEXWIED-UHFFFAOYSA-N -1 1 327.279 2.036 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1cccc(-c2nnn[n-]2)n1 ZINC001592279353 1349616300 /nfs/dbraw/zinc/61/63/00/1349616300.db2.gz RPLPLDRIJOZCNE-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccnn1-c1ccccc1NCc1cccc(-c2nn[n-]n2)n1 ZINC001592279353 1349616302 /nfs/dbraw/zinc/61/63/02/1349616302.db2.gz RPLPLDRIJOZCNE-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1nn(C)c(NC(=O)CCSc2ccccc2)c1-c1nnn[n-]1 ZINC001592434440 1349632022 /nfs/dbraw/zinc/63/20/22/1349632022.db2.gz ULSITEYZGPJRRX-UHFFFAOYSA-N -1 1 343.416 2.030 20 0 EEADMM Cc1nn(C)c(NC(=O)CCSc2ccccc2)c1-c1nn[n-]n1 ZINC001592434440 1349632023 /nfs/dbraw/zinc/63/20/23/1349632023.db2.gz ULSITEYZGPJRRX-UHFFFAOYSA-N -1 1 343.416 2.030 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCCN(C)c1ccccc1 ZINC001592501603 1349638170 /nfs/dbraw/zinc/63/81/70/1349638170.db2.gz IDGZTCMLWFDELP-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCCN(C)c1ccccc1 ZINC001592501603 1349638172 /nfs/dbraw/zinc/63/81/72/1349638172.db2.gz IDGZTCMLWFDELP-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001592503756 1349640414 /nfs/dbraw/zinc/64/04/14/1349640414.db2.gz YPQDNBGBAHKFRY-SNVBAGLBSA-N -1 1 341.396 2.387 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CSc2ccccc21 ZINC001592503756 1349640417 /nfs/dbraw/zinc/64/04/17/1349640417.db2.gz YPQDNBGBAHKFRY-SNVBAGLBSA-N -1 1 341.396 2.387 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592614009 1349670692 /nfs/dbraw/zinc/67/06/92/1349670692.db2.gz QNNWNSUUGZIUJQ-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592614009 1349670698 /nfs/dbraw/zinc/67/06/98/1349670698.db2.gz QNNWNSUUGZIUJQ-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001592631609 1349682575 /nfs/dbraw/zinc/68/25/75/1349682575.db2.gz UMHRBZFSHLFWPQ-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@]1(c2ccccc2)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001592631609 1349682580 /nfs/dbraw/zinc/68/25/80/1349682580.db2.gz UMHRBZFSHLFWPQ-MRXNPFEDSA-N -1 1 325.351 2.122 20 0 EEADMM Fc1ccc([C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1Cl ZINC001592646137 1349691151 /nfs/dbraw/zinc/69/11/51/1349691151.db2.gz IRPYGMMKQWYDRM-CYBMUJFWSA-N -1 1 345.769 2.434 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cc1F ZINC001592647588 1349692959 /nfs/dbraw/zinc/69/29/59/1349692959.db2.gz UPKUZDCHYAWFIN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cc1F ZINC001592647588 1349692969 /nfs/dbraw/zinc/69/29/69/1349692969.db2.gz UPKUZDCHYAWFIN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccccc1C[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001592659139 1349702412 /nfs/dbraw/zinc/70/24/12/1349702412.db2.gz SVNZSIQCRLKIQB-ZDUSSCGKSA-N -1 1 339.378 2.397 20 0 EEADMM O=C(Cc1csc(C2CC2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592932918 1349728764 /nfs/dbraw/zinc/72/87/64/1349728764.db2.gz MGRLDNHTHQMGCX-UHFFFAOYSA-N -1 1 342.384 2.087 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592954682 1349729516 /nfs/dbraw/zinc/72/95/16/1349729516.db2.gz FGWBWFWXWZUAQL-ZFWWWQNUSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592954682 1349729519 /nfs/dbraw/zinc/72/95/19/1349729519.db2.gz FGWBWFWXWZUAQL-ZFWWWQNUSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@@H]1CCOC12CCCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001592995794 1349732695 /nfs/dbraw/zinc/73/26/95/1349732695.db2.gz LLLNIAMXQJKTMG-GFCCVEGCSA-N -1 1 333.417 2.150 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cccc2cc[nH]c21 ZINC001593195937 1349744802 /nfs/dbraw/zinc/74/48/02/1349744802.db2.gz IYKAQHNIKHMSLV-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(Nc1cccc(-n2cccn2)c1)c1csc(-c2nn[n-]n2)c1 ZINC001593245127 1349749020 /nfs/dbraw/zinc/74/90/20/1349749020.db2.gz RHJIMGBERSDYPY-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(OCc1ncc(Cl)s1)c1sccc1-c1nn[n-]n1 ZINC001593306054 1349775333 /nfs/dbraw/zinc/77/53/33/1349775333.db2.gz GFBJRCFEUXNKMK-UHFFFAOYSA-N -1 1 327.778 2.395 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CC[C@@H]1Cc1ccccc1 ZINC001593362314 1349790703 /nfs/dbraw/zinc/79/07/03/1349790703.db2.gz LRGYAAJAWWVICU-GFCCVEGCSA-N -1 1 325.397 2.385 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CC[C@@H]1Cc1ccccc1 ZINC001593362314 1349790705 /nfs/dbraw/zinc/79/07/05/1349790705.db2.gz LRGYAAJAWWVICU-GFCCVEGCSA-N -1 1 325.397 2.385 20 0 EEADMM O=C1CCN(Cc2csc(-c3nn[n-]n3)c2)c2ccc(F)cc2N1 ZINC001593394851 1349797033 /nfs/dbraw/zinc/79/70/33/1349797033.db2.gz AETRZQRNQWGUQK-UHFFFAOYSA-N -1 1 344.375 2.416 20 0 EEADMM O=C1OCC[C@@H]1CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001593414879 1349798019 /nfs/dbraw/zinc/79/80/19/1349798019.db2.gz NSWJCFRPDRUIJV-NSHDSACASA-N -1 1 338.371 2.170 20 0 EEADMM O=C1OCC[C@@H]1CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001593414879 1349798023 /nfs/dbraw/zinc/79/80/23/1349798023.db2.gz NSWJCFRPDRUIJV-NSHDSACASA-N -1 1 338.371 2.170 20 0 EEADMM O=S(=O)(Oc1ccc(Cl)cc1)c1ccsc1-c1nn[n-]n1 ZINC001593448181 1349801567 /nfs/dbraw/zinc/80/15/67/1349801567.db2.gz IXJZPAHZDCLHQU-UHFFFAOYSA-N -1 1 342.789 2.349 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc2C1 ZINC001593461228 1349802665 /nfs/dbraw/zinc/80/26/65/1349802665.db2.gz SCRPSPCEKCWDGH-MYYSRTQBSA-N -1 1 339.424 2.068 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc2C1 ZINC001593461228 1349802667 /nfs/dbraw/zinc/80/26/67/1349802667.db2.gz SCRPSPCEKCWDGH-MYYSRTQBSA-N -1 1 339.424 2.068 20 0 EEADMM O[C@@H](CCn1nnc(-c2ccccc2)c1-c1nn[n-]n1)c1ccccc1 ZINC001593503263 1349822343 /nfs/dbraw/zinc/82/23/43/1349822343.db2.gz XZDKBKWGQNGGCJ-HNNXBMFYSA-N -1 1 347.382 2.249 20 0 EEADMM O[C@@H](CNc1cc(-c2nnn[n-]2)ncn1)c1cc2ccccc2s1 ZINC001593506300 1349823700 /nfs/dbraw/zinc/82/37/00/1349823700.db2.gz IQDMMQNERLXDEA-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H](CNc1cc(-c2nn[n-]n2)ncn1)c1cc2ccccc2s1 ZINC001593506300 1349823703 /nfs/dbraw/zinc/82/37/03/1349823703.db2.gz IQDMMQNERLXDEA-NSHDSACASA-N -1 1 339.384 2.017 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593540588 1349837684 /nfs/dbraw/zinc/83/76/84/1349837684.db2.gz KCATUZDKEWKHFS-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM Oc1ccc(CN(Cc2ccco2)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593540588 1349837687 /nfs/dbraw/zinc/83/76/87/1349837687.db2.gz KCATUZDKEWKHFS-UHFFFAOYSA-N -1 1 349.354 2.162 20 0 EEADMM c1c(NC[C@@H]2CCCC3(CCC3)O2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543182 1349838555 /nfs/dbraw/zinc/83/85/55/1349838555.db2.gz FFXSBXHOIOOFNI-LBPRGKRZSA-N -1 1 341.419 2.438 20 0 EEADMM c1c(NC[C@@H]2CCCC3(CCC3)O2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543182 1349838561 /nfs/dbraw/zinc/83/85/61/1349838561.db2.gz FFXSBXHOIOOFNI-LBPRGKRZSA-N -1 1 341.419 2.438 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CSc1nnc(-c2ccncc2)o1 ZINC001593544859 1349840039 /nfs/dbraw/zinc/84/00/39/1349840039.db2.gz OUDKZCAOJDBRDU-UHFFFAOYSA-N -1 1 327.329 2.197 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CSc1nnc(-c2ccncc2)o1 ZINC001593544859 1349840043 /nfs/dbraw/zinc/84/00/43/1349840043.db2.gz OUDKZCAOJDBRDU-UHFFFAOYSA-N -1 1 327.329 2.197 20 0 EEADMM c1ccc(COCCCCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001593573948 1349858542 /nfs/dbraw/zinc/85/85/42/1349858542.db2.gz IEHCBSLINPQWGT-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM c1ccc(COCCCCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001593573948 1349858545 /nfs/dbraw/zinc/85/85/45/1349858545.db2.gz IEHCBSLINPQWGT-UHFFFAOYSA-N -1 1 325.376 2.066 20 0 EEADMM Cc1c(NC(=O)N2CCN(CC3CC3)CC2)ccc(F)c1C(=O)[O-] ZINC001600037462 1349959826 /nfs/dbraw/zinc/95/98/26/1349959826.db2.gz UDLDZZWHHMLNGT-UHFFFAOYSA-N -1 1 335.379 2.392 20 0 EEADMM Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600182763 1349987196 /nfs/dbraw/zinc/98/71/96/1349987196.db2.gz FLZSFSOALVBQEW-AWEZNQCLSA-N -1 1 349.412 2.332 20 0 EEADMM Cc1cc(NC(=O)N2CCN(C3CCCC3)CC2)ncc1C(=O)[O-] ZINC001600261934 1350005283 /nfs/dbraw/zinc/00/52/83/1350005283.db2.gz KWIMOUYAKHIYMR-UHFFFAOYSA-N -1 1 332.404 2.180 20 0 EEADMM Cc1ccc(-c2cc(C(=O)N3CC4CC3(C(=O)[O-])C4)n[nH]2)c(C)c1 ZINC001600312944 1350018062 /nfs/dbraw/zinc/01/80/62/1350018062.db2.gz FXCLDJPAUNBEMZ-UHFFFAOYSA-N -1 1 325.368 2.383 20 0 EEADMM Cc1cccc(C2=CCN([C@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1C ZINC001600525165 1350073225 /nfs/dbraw/zinc/07/32/25/1350073225.db2.gz GKEXVLKSFFCDDD-SFHVURJKSA-N -1 1 342.439 2.468 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H]3C[C@@H](O)C34CCC4)c12 ZINC001600714809 1350119845 /nfs/dbraw/zinc/11/98/45/1350119845.db2.gz QCLKPNTYIYJBQT-NXEZZACHSA-N -1 1 333.413 2.144 20 0 EEADMM Cc1ncc(CN[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC001600736651 1350124719 /nfs/dbraw/zinc/12/47/19/1350124719.db2.gz BMJDLRWMQLKBPT-SFHVURJKSA-N -1 1 329.400 2.192 20 0 EEADMM Cn1cc(CN2CCC(Oc3ncccc3F)CC2)cc1C(=O)[O-] ZINC001600952139 1350175762 /nfs/dbraw/zinc/17/57/62/1350175762.db2.gz UKYNVTSDPZIXLY-UHFFFAOYSA-N -1 1 333.363 2.301 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC001601426101 1350282031 /nfs/dbraw/zinc/28/20/31/1350282031.db2.gz REFISRPIKACDPL-ZNMIVQPWSA-N -1 1 342.399 2.096 20 0 EEADMM O=C([O-])[C@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCCC1 ZINC001601454328 1350286999 /nfs/dbraw/zinc/28/69/99/1350286999.db2.gz OFWYTNVZELATTQ-OAHLLOKOSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692729 1350339562 /nfs/dbraw/zinc/33/95/62/1350339562.db2.gz BEGPTIVBLYMIHK-RDDDGLTNSA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@H]1CC(=O)N(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC001601759654 1350358501 /nfs/dbraw/zinc/35/85/01/1350358501.db2.gz VSAFQWUJMVTAAB-NXOAAHMSSA-N -1 1 328.412 2.288 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCN(C/C=C/c1ccccc1)C1CC1 ZINC001601776850 1350362782 /nfs/dbraw/zinc/36/27/82/1350362782.db2.gz AOCXTLWKWHUKMI-MWRSBEEJSA-N -1 1 328.412 2.001 20 0 EEADMM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC001601885983 1350390443 /nfs/dbraw/zinc/39/04/43/1350390443.db2.gz RJHWGWFDHRRBAB-FPYGCLRLSA-N -1 1 345.380 2.253 20 0 EEADMM O=C([O-])CCNC(=O)CCN[C@H]1CCc2ccc(F)c(Cl)c21 ZINC001602019787 1350420149 /nfs/dbraw/zinc/42/01/49/1350420149.db2.gz NMZYCHNLQHYFFI-NSHDSACASA-N -1 1 328.771 2.037 20 0 EEADMM O=C([O-])c1ccc(-c2ccc(CN[C@@]3(CCO)CCOC3)o2)cc1 ZINC001602309955 1350490567 /nfs/dbraw/zinc/49/05/67/1350490567.db2.gz ZRAXNCGZFKZLGS-SFHVURJKSA-N -1 1 331.368 2.276 20 0 EEADMM O=C([O-])c1cnc(CC[NH2+][C@@H](c2nnc[n-]2)C2CCCCC2)s1 ZINC001602517779 1350536184 /nfs/dbraw/zinc/53/61/84/1350536184.db2.gz VMRGXJCIEGOAHN-CYBMUJFWSA-N -1 1 335.433 2.413 20 0 EEADMM CC(=O)c1ccc(N(C)C(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001602975893 1350616816 /nfs/dbraw/zinc/61/68/16/1350616816.db2.gz GQIONHZZXMFLMO-UHFFFAOYSA-N -1 1 327.369 2.407 20 0 EEADMM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001603269923 1350676067 /nfs/dbraw/zinc/67/60/67/1350676067.db2.gz GNJIRODPMOGTTK-VXGBXAGGSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001603271653 1350676462 /nfs/dbraw/zinc/67/64/62/1350676462.db2.gz ZKVOWNWHIOWMIG-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001603271653 1350676465 /nfs/dbraw/zinc/67/64/65/1350676465.db2.gz ZKVOWNWHIOWMIG-QWRGUYRKSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)c1cncnc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001603406564 1350701601 /nfs/dbraw/zinc/70/16/01/1350701601.db2.gz SDXMLQFBONCAJD-UHFFFAOYSA-N -1 1 344.766 2.081 20 0 EEADMM CC(C)(CCNc1cccc(CN2CCC[C@@H]2C(N)=O)c1)C(=O)[O-] ZINC001603613514 1350728574 /nfs/dbraw/zinc/72/85/74/1350728574.db2.gz UNLSTTWNBFXVKR-OAHLLOKOSA-N -1 1 333.432 2.049 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc2c(c1)CCCO2 ZINC001603643073 1350732534 /nfs/dbraw/zinc/73/25/34/1350732534.db2.gz JALUSDDSGRBQLC-JTQLQIEISA-N -1 1 339.355 2.276 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc2c(c1)CCCO2 ZINC001603643073 1350732537 /nfs/dbraw/zinc/73/25/37/1350732537.db2.gz JALUSDDSGRBQLC-JTQLQIEISA-N -1 1 339.355 2.276 20 0 EEADMM C[C@@]1(C(=O)OCc2nc(-c3nnn[n-]3)cs2)CCc2ccccc21 ZINC001603754992 1350758158 /nfs/dbraw/zinc/75/81/58/1350758158.db2.gz ISDGQYRMIDPYIK-MRXNPFEDSA-N -1 1 341.396 2.271 20 0 EEADMM C[C@@]1(C(=O)OCc2nc(-c3nn[n-]n3)cs2)CCc2ccccc21 ZINC001603754992 1350758161 /nfs/dbraw/zinc/75/81/61/1350758161.db2.gz ISDGQYRMIDPYIK-MRXNPFEDSA-N -1 1 341.396 2.271 20 0 EEADMM CC(C)OCc1cccc(CNC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC001603925581 1350803070 /nfs/dbraw/zinc/80/30/70/1350803070.db2.gz CRQCZBPTYDEWOE-LJQANCHMSA-N -1 1 348.443 2.071 20 0 EEADMM C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)c2ccccc21 ZINC001603939990 1350807867 /nfs/dbraw/zinc/80/78/67/1350807867.db2.gz YPUODVDEIAHWPR-VIFPVBQESA-N -1 1 347.425 2.241 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC001603941401 1350808825 /nfs/dbraw/zinc/80/88/25/1350808825.db2.gz OHTQXHITPUQOIY-IINYFYTJSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@H]1CN(c2ccnc(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC001603941401 1350808827 /nfs/dbraw/zinc/80/88/27/1350808827.db2.gz OHTQXHITPUQOIY-IINYFYTJSA-N -1 1 328.401 2.290 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603958320 1350814454 /nfs/dbraw/zinc/81/44/54/1350814454.db2.gz GNDFQXDGVABURR-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603958320 1350814458 /nfs/dbraw/zinc/81/44/58/1350814458.db2.gz GNDFQXDGVABURR-VIFPVBQESA-N -1 1 326.385 2.083 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(O)c1 ZINC001603993574 1350823660 /nfs/dbraw/zinc/82/36/60/1350823660.db2.gz JXWPDNNSIDRWOC-CYBMUJFWSA-N -1 1 334.416 2.137 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1O)c1ccncc1 ZINC001604085665 1350850584 /nfs/dbraw/zinc/85/05/84/1350850584.db2.gz LBKXEKVCMGZHBF-MRXNPFEDSA-N -1 1 336.294 2.185 20 0 EEADMM CCCCN(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001604182036 1350886202 /nfs/dbraw/zinc/88/62/02/1350886202.db2.gz XVBVMXMUDFSUTL-UHFFFAOYSA-N -1 1 340.391 2.078 20 0 EEADMM CCCCN(C)c1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001604182036 1350886208 /nfs/dbraw/zinc/88/62/08/1350886208.db2.gz XVBVMXMUDFSUTL-UHFFFAOYSA-N -1 1 340.391 2.078 20 0 EEADMM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001604326532 1350916158 /nfs/dbraw/zinc/91/61/58/1350916158.db2.gz FPYQJUUZSJOYDA-UHFFFAOYSA-N -1 1 347.400 2.292 20 0 EEADMM C[C@@H](N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cncc(C(=O)[O-])c1 ZINC001604329373 1350916674 /nfs/dbraw/zinc/91/66/74/1350916674.db2.gz JGVVUTJJSIOJQT-BXUZGUMPSA-N -1 1 343.358 2.375 20 0 EEADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001604636523 1350974225 /nfs/dbraw/zinc/97/42/25/1350974225.db2.gz MZGUQSLBZDGGMU-BXKDBHETSA-N -1 1 338.770 2.355 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC001604717127 1350990941 /nfs/dbraw/zinc/99/09/41/1350990941.db2.gz PXHPVSCSVAKCKL-QLFBSQMISA-N -1 1 325.453 2.146 20 0 EEADMM CN(C[C@H]1CCCCO1)c1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604728882 1350992882 /nfs/dbraw/zinc/99/28/82/1350992882.db2.gz GFATZNOSDRZOTO-SNVBAGLBSA-N -1 1 342.325 2.286 20 0 EEADMM CN(C[C@H]1CCCCO1)c1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604728882 1350992884 /nfs/dbraw/zinc/99/28/84/1350992884.db2.gz GFATZNOSDRZOTO-SNVBAGLBSA-N -1 1 342.325 2.286 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1 ZINC001604792906 1351005621 /nfs/dbraw/zinc/00/56/21/1351005621.db2.gz IXXIADHOPLPNTE-NSHDSACASA-N -1 1 325.796 2.353 20 0 EEADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCOCC(F)F ZINC001604809480 1351011410 /nfs/dbraw/zinc/01/14/10/1351011410.db2.gz ARMQWQZWOAMWLP-GFCCVEGCSA-N -1 1 328.359 2.177 20 0 EEADMM CN1C(=O)Cc2cc(Nc3snc(Cl)c3-c3nnn[n-]3)ccc21 ZINC001604840447 1351018361 /nfs/dbraw/zinc/01/83/61/1351018361.db2.gz BAUWCDZASHRLFB-UHFFFAOYSA-N -1 1 347.791 2.239 20 0 EEADMM CN1C(=O)Cc2cc(Nc3snc(Cl)c3-c3nn[n-]n3)ccc21 ZINC001604840447 1351018363 /nfs/dbraw/zinc/01/83/63/1351018363.db2.gz BAUWCDZASHRLFB-UHFFFAOYSA-N -1 1 347.791 2.239 20 0 EEADMM CC[C@H](C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC001604869759 1351023180 /nfs/dbraw/zinc/02/31/80/1351023180.db2.gz QKCGTGDEMBHUPD-BBRMVZONSA-N -1 1 336.407 2.327 20 0 EEADMM CCCCN(CC(N)=O)Cc1cc(Br)ccc1C(=O)[O-] ZINC001605276778 1351122450 /nfs/dbraw/zinc/12/24/50/1351122450.db2.gz TXZCJSPUQIXFDM-UHFFFAOYSA-N -1 1 343.221 2.235 20 0 EEADMM COc1ccc(O[C@H](C)CNc2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC001605303734 1351130790 /nfs/dbraw/zinc/13/07/90/1351130790.db2.gz UTTWLLDCNQLCMQ-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM CCCN(C)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605305556 1351131204 /nfs/dbraw/zinc/13/12/04/1351131204.db2.gz UCMMHJLXWZZFSY-UHFFFAOYSA-N -1 1 349.412 2.427 20 0 EEADMM COc1cccc2c1[C@H](C(=O)Nc1ncc(-c3nnn[n-]3)s1)CC2 ZINC001605324577 1351137160 /nfs/dbraw/zinc/13/71/60/1351137160.db2.gz GKDDYPSIXJMGMX-SECBINFHSA-N -1 1 342.384 2.000 20 0 EEADMM COc1cccc2c1[C@H](C(=O)Nc1ncc(-c3nn[n-]n3)s1)CC2 ZINC001605324577 1351137164 /nfs/dbraw/zinc/13/71/64/1351137164.db2.gz GKDDYPSIXJMGMX-SECBINFHSA-N -1 1 342.384 2.000 20 0 EEADMM CSC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001605368787 1351145851 /nfs/dbraw/zinc/14/58/51/1351145851.db2.gz NQWWERFCBZFHMO-UHFFFAOYSA-N -1 1 338.462 2.013 20 0 EEADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001605447668 1351159446 /nfs/dbraw/zinc/15/94/46/1351159446.db2.gz CAMFHXJVWHUUJB-IINYFYTJSA-N -1 1 335.371 2.112 20 0 EEADMM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001605447668 1351159447 /nfs/dbraw/zinc/15/94/47/1351159447.db2.gz CAMFHXJVWHUUJB-IINYFYTJSA-N -1 1 335.371 2.112 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(-c3ccoc3)n2)c1 ZINC001605511171 1351175335 /nfs/dbraw/zinc/17/53/35/1351175335.db2.gz ZXKGXLRHZQIBFB-UHFFFAOYSA-N -1 1 340.368 2.102 20 0 EEADMM Cc1csc(CCCCNc2nc(C)cc(-c3nnn[n-]3)n2)n1 ZINC001605577922 1351192733 /nfs/dbraw/zinc/19/27/33/1351192733.db2.gz AMVMJVMVUGKQKI-UHFFFAOYSA-N -1 1 330.421 2.165 20 0 EEADMM Cc1csc(CCCCNc2nc(C)cc(-c3nn[n-]n3)n2)n1 ZINC001605577922 1351192737 /nfs/dbraw/zinc/19/27/37/1351192737.db2.gz AMVMJVMVUGKQKI-UHFFFAOYSA-N -1 1 330.421 2.165 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cc(Cl)cc3c2OCC3)n1 ZINC001605582434 1351194561 /nfs/dbraw/zinc/19/45/61/1351194561.db2.gz UPZLYMUAFQBALH-UHFFFAOYSA-N -1 1 343.778 2.166 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cc(Cl)cc3c2OCC3)n1 ZINC001605582434 1351194567 /nfs/dbraw/zinc/19/45/67/1351194567.db2.gz UPZLYMUAFQBALH-UHFFFAOYSA-N -1 1 343.778 2.166 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Oc2ccc(NC(=O)C(C)C)cc2)n1 ZINC001605584987 1351194750 /nfs/dbraw/zinc/19/47/50/1351194750.db2.gz GPJNDKYHKGJMFR-UHFFFAOYSA-N -1 1 339.359 2.352 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Oc2ccc(NC(=O)C(C)C)cc2)n1 ZINC001605584987 1351194755 /nfs/dbraw/zinc/19/47/55/1351194755.db2.gz GPJNDKYHKGJMFR-UHFFFAOYSA-N -1 1 339.359 2.352 20 0 EEADMM Cc1cc(C)cc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001605649824 1351210511 /nfs/dbraw/zinc/21/05/11/1351210511.db2.gz WCKHGTCPNSXKEM-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001605661164 1351212360 /nfs/dbraw/zinc/21/23/60/1351212360.db2.gz PBCSKQUFUHGDDA-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001605661164 1351212364 /nfs/dbraw/zinc/21/23/64/1351212364.db2.gz PBCSKQUFUHGDDA-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM CCc1nc(OC)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001605857538 1351238564 /nfs/dbraw/zinc/23/85/64/1351238564.db2.gz NIKANHJAXDKWAK-UHFFFAOYSA-N -1 1 342.398 2.213 20 0 EEADMM Cc1ccc(N2CCn3nc(C(C)(C)C)cc3C2)nc1-c1nnn[n-]1 ZINC001605868268 1351241920 /nfs/dbraw/zinc/24/19/20/1351241920.db2.gz HGUAKKUOQXZBBW-UHFFFAOYSA-N -1 1 338.419 2.084 20 0 EEADMM Cc1ccc(N2CCn3nc(C(C)(C)C)cc3C2)nc1-c1nn[n-]n1 ZINC001605868268 1351241921 /nfs/dbraw/zinc/24/19/21/1351241921.db2.gz HGUAKKUOQXZBBW-UHFFFAOYSA-N -1 1 338.419 2.084 20 0 EEADMM Cc1ccc(NC2CCN(C(=O)CC(C)C)CC2)nc1-c1nnn[n-]1 ZINC001605872581 1351242732 /nfs/dbraw/zinc/24/27/32/1351242732.db2.gz YJSXPCFYCFOWCJ-UHFFFAOYSA-N -1 1 343.435 2.019 20 0 EEADMM Cc1ccc(NC2CCN(C(=O)CC(C)C)CC2)nc1-c1nn[n-]n1 ZINC001605872581 1351242734 /nfs/dbraw/zinc/24/27/34/1351242734.db2.gz YJSXPCFYCFOWCJ-UHFFFAOYSA-N -1 1 343.435 2.019 20 0 EEADMM Cc1ccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001605876161 1351243946 /nfs/dbraw/zinc/24/39/46/1351243946.db2.gz BITRYMRLSZHRFW-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1ccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001605876161 1351243948 /nfs/dbraw/zinc/24/39/48/1351243948.db2.gz BITRYMRLSZHRFW-UHFFFAOYSA-N -1 1 338.371 2.286 20 0 EEADMM Cc1ccc2c(CCNc3cnc(-c4nnn[n-]4)cn3)cn(C)c2c1 ZINC001605887239 1351246825 /nfs/dbraw/zinc/24/68/25/1351246825.db2.gz DMQKHYLBGSFGAD-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1ccc2c(CCNc3cnc(-c4nn[n-]n4)cn3)cn(C)c2c1 ZINC001605887239 1351246828 /nfs/dbraw/zinc/24/68/28/1351246828.db2.gz DMQKHYLBGSFGAD-UHFFFAOYSA-N -1 1 334.387 2.111 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nnn[n-]1 ZINC001605889837 1351247145 /nfs/dbraw/zinc/24/71/45/1351247145.db2.gz OHDSJHJDGJQAGH-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc3nc(C)ccc3c2)c1-c1nn[n-]n1 ZINC001605889837 1351247151 /nfs/dbraw/zinc/24/71/51/1351247151.db2.gz OHDSJHJDGJQAGH-UHFFFAOYSA-N -1 1 348.370 2.018 20 0 EEADMM Cc1cccc(CO[C@@H](C)C(=O)OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001605914598 1351253352 /nfs/dbraw/zinc/25/33/52/1351253352.db2.gz PWMRXSNLSHGLPE-LBPRGKRZSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1cccc(CO[C@@H](C)C(=O)OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001605914598 1351253354 /nfs/dbraw/zinc/25/33/54/1351253354.db2.gz PWMRXSNLSHGLPE-LBPRGKRZSA-N -1 1 342.355 2.417 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2ccccc2)c1-c1nnn[n-]1 ZINC001606139204 1351278095 /nfs/dbraw/zinc/27/80/95/1351278095.db2.gz FWWRSQZJPOFCTR-VIFPVBQESA-N -1 1 328.401 2.398 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001606139204 1351278097 /nfs/dbraw/zinc/27/80/97/1351278097.db2.gz FWWRSQZJPOFCTR-VIFPVBQESA-N -1 1 328.401 2.398 20 0 EEADMM COC(=O)[C@@H]1CCN(Cc2ccc(CC(C)C)nc2)[C@H](C(=O)[O-])C1 ZINC001606411477 1351301758 /nfs/dbraw/zinc/30/17/58/1351301758.db2.gz PHYOJUPQZZVAGV-ZBFHGGJFSA-N -1 1 334.416 2.118 20 0 EEADMM O=C(C[C@@H]1CCC2(CCC2)O1)OCc1ccc(-c2nn[n-]n2)s1 ZINC001606498925 1351312509 /nfs/dbraw/zinc/31/25/09/1351312509.db2.gz SEDMYZTWWYCEOP-JTQLQIEISA-N -1 1 334.401 2.463 20 0 EEADMM O=C(CCCNc1cccnc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001606518966 1351315447 /nfs/dbraw/zinc/31/54/47/1351315447.db2.gz FAGSRBYTUZOFCX-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM O=C(CCCNc1cccnc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001606518966 1351315450 /nfs/dbraw/zinc/31/54/50/1351315450.db2.gz FAGSRBYTUZOFCX-UHFFFAOYSA-N -1 1 349.398 2.043 20 0 EEADMM COC(=O)c1cc(NC(=O)CN(C)C[C@@H]2CC2(C)C)cc(C(=O)[O-])c1 ZINC001606550356 1351321054 /nfs/dbraw/zinc/32/10/54/1351321054.db2.gz OOGPSHFLOMZQPG-ZDUSSCGKSA-N -1 1 348.399 2.088 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC001606578132 1351325248 /nfs/dbraw/zinc/32/52/48/1351325248.db2.gz SFWVIYOLFZTGIK-NWDGAFQWSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606637736 1351335495 /nfs/dbraw/zinc/33/54/95/1351335495.db2.gz CZJDTCNSRVKFFX-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606637736 1351335497 /nfs/dbraw/zinc/33/54/97/1351335497.db2.gz CZJDTCNSRVKFFX-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H](F)Cc1ccccc1 ZINC001606831190 1351363647 /nfs/dbraw/zinc/36/36/47/1351363647.db2.gz HBGUYTSIWHMFMG-LBPRGKRZSA-N -1 1 331.376 2.125 20 0 EEADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606925691 1351378178 /nfs/dbraw/zinc/37/81/78/1351378178.db2.gz FHWJPGJOEYCSGH-UHFFFAOYSA-N -1 1 339.233 2.453 20 0 EEADMM O=C(Nc1ccc2c(c1)OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606929318 1351378313 /nfs/dbraw/zinc/37/83/13/1351378313.db2.gz SAWLFENHPAQDFF-UHFFFAOYSA-N -1 1 341.302 2.029 20 0 EEADMM O=C(Nc1ccc2c(c1)OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606929318 1351378316 /nfs/dbraw/zinc/37/83/16/1351378316.db2.gz SAWLFENHPAQDFF-UHFFFAOYSA-N -1 1 341.302 2.029 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1C2CC3CC(C2)CC1C3 ZINC001606985104 1351392842 /nfs/dbraw/zinc/39/28/42/1351392842.db2.gz HOANXLPHAKYYIT-UHFFFAOYSA-N -1 1 345.428 2.439 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1C2CC3CC(C2)CC1C3 ZINC001606985104 1351392844 /nfs/dbraw/zinc/39/28/44/1351392844.db2.gz HOANXLPHAKYYIT-UHFFFAOYSA-N -1 1 345.428 2.439 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCc2c1c(F)ccc2F ZINC001607017265 1351398144 /nfs/dbraw/zinc/39/81/44/1351398144.db2.gz SLFGBXBEZRCFQF-UHFFFAOYSA-N -1 1 333.323 2.409 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCc2c1c(F)ccc2F ZINC001607017265 1351398146 /nfs/dbraw/zinc/39/81/46/1351398146.db2.gz SLFGBXBEZRCFQF-UHFFFAOYSA-N -1 1 333.323 2.409 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001607017458 1351398319 /nfs/dbraw/zinc/39/83/19/1351398319.db2.gz ZIGBWOPUXJQQTP-IJLUTSLNSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001607017458 1351398322 /nfs/dbraw/zinc/39/83/22/1351398322.db2.gz ZIGBWOPUXJQQTP-IJLUTSLNSA-N -1 1 347.444 2.084 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CCC1CCOCC1 ZINC001607089857 1351413390 /nfs/dbraw/zinc/41/33/90/1351413390.db2.gz DCBOUCKMJZWNHP-UHFFFAOYSA-N -1 1 331.401 2.060 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1cnc(-c2ccccc2)s1 ZINC001607090262 1351414236 /nfs/dbraw/zinc/41/42/36/1351414236.db2.gz NVPAOPVNIAAJSA-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM c1ccc2c(c1)CC[C@H]2c1noc(-c2cccc(-c3nnn[n-]3)n2)n1 ZINC001607116518 1351425976 /nfs/dbraw/zinc/42/59/76/1351425976.db2.gz NSUBLOFTAAPWGK-GFCCVEGCSA-N -1 1 331.339 2.390 20 0 EEADMM c1ccc2c(c1)CC[C@H]2c1noc(-c2cccc(-c3nn[n-]n3)n2)n1 ZINC001607116518 1351425978 /nfs/dbraw/zinc/42/59/78/1351425978.db2.gz NSUBLOFTAAPWGK-GFCCVEGCSA-N -1 1 331.339 2.390 20 0 EEADMM c1c(-c2nn[n-]n2)nnn1CCOC(c1ccccc1)c1ccccc1 ZINC001607126222 1351429719 /nfs/dbraw/zinc/42/97/19/1351429719.db2.gz IAPIIMDIXVPXTF-UHFFFAOYSA-N -1 1 347.382 2.264 20 0 EEADMM c1ccc2[nH]c(CCNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)nc2c1 ZINC001607130840 1351432068 /nfs/dbraw/zinc/43/20/68/1351432068.db2.gz HYZFTHWKYPRZKK-UHFFFAOYSA-N -1 1 347.386 2.065 20 0 EEADMM c1ccc2[nH]c(CCNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)nc2c1 ZINC001607130840 1351432071 /nfs/dbraw/zinc/43/20/71/1351432071.db2.gz HYZFTHWKYPRZKK-UHFFFAOYSA-N -1 1 347.386 2.065 20 0 EEADMM COc1ccc2oc(CN3CC(c4cc(C(=O)[O-])n[nH]4)C3)cc2c1 ZINC001607302704 1351468537 /nfs/dbraw/zinc/46/85/37/1351468537.db2.gz MAXGCDJEBKACIR-UHFFFAOYSA-N -1 1 327.340 2.462 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(OCC(F)(F)F)nn1 ZINC001607445967 1351495444 /nfs/dbraw/zinc/49/54/44/1351495444.db2.gz RWZAQKJYGAGTCK-NXEZZACHSA-N -1 1 333.310 2.103 20 0 EEADMM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H]1CCc2ccccc2OC1 ZINC001607493509 1351504699 /nfs/dbraw/zinc/50/46/99/1351504699.db2.gz CUYQXZWIIDQQOW-ZDUSSCGKSA-N -1 1 328.368 2.187 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)nc2ccccc12 ZINC001607572243 1351517846 /nfs/dbraw/zinc/51/78/46/1351517846.db2.gz ZFHYVJGDHRPTRP-CQSZACIVSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cc(C(=O)NC2CCN(Cc3csc(C(=O)[O-])c3)CC2)no1 ZINC001607576960 1351518490 /nfs/dbraw/zinc/51/84/90/1351518490.db2.gz AYMVASJKFUIQJJ-UHFFFAOYSA-N -1 1 349.412 2.137 20 0 EEADMM Cc1cc(C(=O)[O-])oc1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001607602986 1351523012 /nfs/dbraw/zinc/52/30/12/1351523012.db2.gz MIGDPKBUUFKHKM-UHFFFAOYSA-N -1 1 340.339 2.044 20 0 EEADMM Cc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])c(OC(F)F)cc1C ZINC001607639311 1351530803 /nfs/dbraw/zinc/53/08/03/1351530803.db2.gz AJXROMAGFWAHAZ-UHFFFAOYSA-N -1 1 331.315 2.266 20 0 EEADMM Cc1ccc([C@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001607750559 1351551482 /nfs/dbraw/zinc/55/14/82/1351551482.db2.gz LWFYOEZPTSDALX-HZPDHXFCSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1cccc2cc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])sc21 ZINC001607867867 1351575400 /nfs/dbraw/zinc/57/54/00/1351575400.db2.gz VFZSDMSYUPJTDW-LBPRGKRZSA-N -1 1 329.381 2.359 20 0 EEADMM Cc1nnc(SCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[nH]1 ZINC001607939531 1351589783 /nfs/dbraw/zinc/58/97/83/1351589783.db2.gz RENACUHZQIKRPN-NWDGAFQWSA-N -1 1 332.385 2.032 20 0 EEADMM Cc1n[nH]c(SCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001607939531 1351589791 /nfs/dbraw/zinc/58/97/91/1351589791.db2.gz RENACUHZQIKRPN-NWDGAFQWSA-N -1 1 332.385 2.032 20 0 EEADMM Cc1nc(NC(=O)[C@@H](C)N2CCC[C@](C)(C(=O)[O-])C2)sc1C ZINC001607963229 1351594001 /nfs/dbraw/zinc/59/40/01/1351594001.db2.gz WFFDNXKWEZDBLZ-BMIGLBTASA-N -1 1 325.434 2.274 20 0 EEADMM Cc1sc(NC(=O)CN2CCC[C@@H]2C(C)(C)O)c(C(=O)[O-])c1C ZINC001608071625 1351618960 /nfs/dbraw/zinc/61/89/60/1351618960.db2.gz HTIHXNLCIRTWRB-LLVKDONJSA-N -1 1 340.445 2.237 20 0 EEADMM Cn1cc(CN[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-] ZINC001608113983 1351627479 /nfs/dbraw/zinc/62/74/79/1351627479.db2.gz IAUONMDSRCTLCO-CQSZACIVSA-N -1 1 347.802 2.272 20 0 EEADMM O=C([O-])C1(CNC(=O)c2n[nH]nc2-c2ccccc2)CCCCC1 ZINC001608427776 1351693376 /nfs/dbraw/zinc/69/33/76/1351693376.db2.gz FBXFUEJYQLWCSX-UHFFFAOYSA-N -1 1 328.372 2.237 20 0 EEADMM CCC(CC)(NC(=O)c1csc(-c2ccoc2)n1)c1nn[n-]n1 ZINC001623440641 1352397108 /nfs/dbraw/zinc/39/71/08/1352397108.db2.gz CDYUPILCVBVSMV-UHFFFAOYSA-N -1 1 332.389 2.362 20 0 EEADMM CSc1ncc(C(=O)N(C)Cc2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC001623969118 1352410254 /nfs/dbraw/zinc/41/02/54/1352410254.db2.gz WUPSIQQHZGPPLX-UHFFFAOYSA-N -1 1 329.385 2.053 20 0 EEADMM CCn1cc(Cl)cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001642562114 1352733545 /nfs/dbraw/zinc/73/35/45/1352733545.db2.gz KYWAFLYABGKUFT-CYBMUJFWSA-N -1 1 330.779 2.194 20 0 EEADMM COc1cc(C)sc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001642557374 1352733928 /nfs/dbraw/zinc/73/39/28/1352733928.db2.gz ACUVPPNNLCZDMW-LBPRGKRZSA-N -1 1 329.385 2.098 20 0 EEADMM O=C(NC1(c2nn[n-]n2)CCC1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001644748308 1352768163 /nfs/dbraw/zinc/76/81/63/1352768163.db2.gz CBXUXCOMXHOPKL-UHFFFAOYSA-N -1 1 343.778 2.052 20 0 EEADMM O=C(C[C@@H]1CCCC(=O)N1)Nc1ccc(Br)c([O-])c1 ZINC001647202660 1353186216 /nfs/dbraw/zinc/18/62/16/1353186216.db2.gz HWGIEQNLOWHPCP-QMMMGPOBSA-N -1 1 327.178 2.152 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](C)c1c(C)n[nH]c1C ZINC001649936679 1353655579 /nfs/dbraw/zinc/65/55/79/1353655579.db2.gz KQEVXXNFDOMAIJ-SECBINFHSA-N -1 1 345.371 2.353 20 0 EEADMM CCC1(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCCC2)CC1 ZINC001388213227 1387259320 /nfs/dbraw/zinc/25/93/20/1387259320.db2.gz CMFIHGVJCNDAQK-UHFFFAOYSA-N -1 1 331.416 2.136 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N1CCCC2(CCCC2)C1 ZINC001650450388 1353924853 /nfs/dbraw/zinc/92/48/53/1353924853.db2.gz MDVNAHOBAPNMJH-UHFFFAOYSA-N -1 1 344.467 2.199 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N1CCCC2(CCCC2)C1 ZINC001650450388 1353924854 /nfs/dbraw/zinc/92/48/54/1353924854.db2.gz MDVNAHOBAPNMJH-UHFFFAOYSA-N -1 1 344.467 2.199 20 0 EEADMM C[C@](CO)(NCc1nc(=O)c2sccc2[n-]1)c1cccc(O)c1 ZINC001658834102 1354367321 /nfs/dbraw/zinc/36/73/21/1354367321.db2.gz XEJNTMFBWPJJDI-MRXNPFEDSA-N -1 1 331.397 2.100 20 0 EEADMM C[C@@](O)(CNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccco1 ZINC001672125708 1356465620 /nfs/dbraw/zinc/46/56/20/1356465620.db2.gz FAEPXFXMYXCJCY-QGZVFWFLSA-N -1 1 342.355 2.200 20 0 EEADMM CSCC[C@H](NC(=O)Nc1nc2ccccc2s1)c1nn[n-]n1 ZINC001672379671 1356511709 /nfs/dbraw/zinc/51/17/09/1356511709.db2.gz WWTMNJJWABONEU-VIFPVBQESA-N -1 1 349.445 2.425 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H](C)CC1CCCC1 ZINC001388433834 1387459190 /nfs/dbraw/zinc/45/91/90/1387459190.db2.gz QJLQVOOCQJHWAB-KGLIPLIRSA-N -1 1 347.459 2.486 20 0 EEADMM Cc1ccc(C(=O)NC[C@H](C)CNC(=O)c2ncccc2[O-])c(F)c1 ZINC001388430432 1387456902 /nfs/dbraw/zinc/45/69/02/1387456902.db2.gz BATSOYPYMUXZKO-LBPRGKRZSA-N -1 1 345.374 2.031 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000854635323 1367229298 /nfs/dbraw/zinc/22/92/98/1367229298.db2.gz RBHQHLDRHUPBDB-SNVBAGLBSA-N -1 1 326.397 2.302 20 0 EEADMM Cc1nnc2cc(NC(=O)c3cnc(-c4ccccc4)[n-]c3=O)ccn12 ZINC001190260468 1368402903 /nfs/dbraw/zinc/40/29/03/1368402903.db2.gz FVSBUFXGKKCQGO-UHFFFAOYSA-N -1 1 346.350 2.453 20 0 EEADMM Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)cc(F)c2F)n1 ZINC001190402074 1368407297 /nfs/dbraw/zinc/40/72/97/1368407297.db2.gz TXIXGVWQMWHSSV-UHFFFAOYSA-N -1 1 334.294 2.425 20 0 EEADMM O=C(NCc1ccc(-c2ncon2)cc1)c1cc([O-])cnc1Cl ZINC001195306243 1368516225 /nfs/dbraw/zinc/51/62/25/1368516225.db2.gz QLMYHIBKNRQPAN-UHFFFAOYSA-N -1 1 330.731 2.421 20 0 EEADMM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867125369 1368570164 /nfs/dbraw/zinc/57/01/64/1368570164.db2.gz XDAWKGYOBNUMHP-GHMZBOCLSA-N -1 1 334.388 2.232 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1 ZINC001201772586 1368843742 /nfs/dbraw/zinc/84/37/42/1368843742.db2.gz OQNXGRIPXOVBIX-NSHDSACASA-N -1 1 346.861 2.159 20 0 EEADMM CC[C@H](C[N-]S(=O)(=O)N=S(=O)(CC)CC)CC(F)(F)F ZINC000867404226 1368844459 /nfs/dbraw/zinc/84/44/59/1368844459.db2.gz INXOJDUXRPNQIS-VIFPVBQESA-N -1 1 338.417 2.307 20 0 EEADMM CC(=O)c1ccc(N2CCN(C(=O)c3cncc([O-])c3)CC2)c(F)c1 ZINC000109935079 1369242873 /nfs/dbraw/zinc/24/28/73/1369242873.db2.gz SLMVAHNEZGSJJK-UHFFFAOYSA-N -1 1 343.358 2.091 20 0 EEADMM Cc1cc(=O)[nH]c(C(C)(C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)n1 ZINC000852146983 1369251387 /nfs/dbraw/zinc/25/13/87/1369251387.db2.gz KHLOHOAQXIFLFW-OAHLLOKOSA-N -1 1 345.443 2.372 20 0 EEADMM O=C([N-]OC/C=C/Cl)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 ZINC000861783476 1369509536 /nfs/dbraw/zinc/50/95/36/1369509536.db2.gz XEXFIRFDPPOPID-PWTMJPFMSA-N -1 1 330.718 2.118 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccco1 ZINC000780479246 1371162445 /nfs/dbraw/zinc/16/24/45/1371162445.db2.gz IFIWJVYNMDEOBT-WDEREUQCSA-N -1 1 347.362 2.070 20 0 EEADMM CCC(CC)N1C[C@H](C(=O)[N-]OCc2ccccc2OC)CC1=O ZINC000799096372 1371628325 /nfs/dbraw/zinc/62/83/25/1371628325.db2.gz KGXYJPQIPRXHCQ-CQSZACIVSA-N -1 1 334.416 2.280 20 0 EEADMM COCCCCC[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001116462239 1371727507 /nfs/dbraw/zinc/72/75/07/1371727507.db2.gz NGWVUTCKOBVGML-UHFFFAOYSA-N -1 1 327.233 2.483 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC001123571643 1372156884 /nfs/dbraw/zinc/15/68/84/1372156884.db2.gz UXGOMOQTCDRTIF-UHFFFAOYSA-N -1 1 334.401 2.461 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000830840738 1372352603 /nfs/dbraw/zinc/35/26/03/1372352603.db2.gz LQUIGDRRELSFSZ-MVGZEHJDSA-N -1 1 326.318 2.369 20 0 EEADMM CN(C)c1cccc(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000830841719 1372353221 /nfs/dbraw/zinc/35/32/21/1372353221.db2.gz SZRXQSNLZNUPDW-OAHLLOKOSA-N -1 1 343.349 2.036 20 0 EEADMM Cc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)c(C2CC2)n1 ZINC000831121042 1372364922 /nfs/dbraw/zinc/36/49/22/1372364922.db2.gz GPTGTSZCPXXCOW-UHFFFAOYSA-N -1 1 341.333 2.018 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CCc2nc[nH]c2C1 ZINC000834298651 1372543376 /nfs/dbraw/zinc/54/33/76/1372543376.db2.gz VGRQVBOTUUKYFC-SSDOTTSWSA-N -1 1 337.177 2.016 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC000834298651 1372543384 /nfs/dbraw/zinc/54/33/84/1372543384.db2.gz VGRQVBOTUUKYFC-SSDOTTSWSA-N -1 1 337.177 2.016 20 0 EEADMM COc1cccnc1O[C@H]1CCN(Cc2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001140498202 1372588783 /nfs/dbraw/zinc/58/87/83/1372588783.db2.gz HFGLZJQMGMTZMQ-ZDUSSCGKSA-N -1 1 345.399 2.387 20 0 EEADMM COCc1ccccc1OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000839452191 1372903651 /nfs/dbraw/zinc/90/36/51/1372903651.db2.gz PVDABLBIUAFEAN-UHFFFAOYSA-N -1 1 341.367 2.346 20 0 EEADMM CO[C@@H](CNC(=O)c1cnc(SC)[n-]c1=O)c1ccc(F)cc1 ZINC001362290191 1373388578 /nfs/dbraw/zinc/38/85/78/1373388578.db2.gz ZFSWNQPIAWXYRH-LBPRGKRZSA-N -1 1 337.376 2.161 20 0 EEADMM C[S@](=N)(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001362727785 1373455527 /nfs/dbraw/zinc/45/55/27/1373455527.db2.gz IKCCJDDZFUJZME-QHCPKHFHSA-N -1 1 332.385 2.347 20 0 EEADMM CSc1nc(CNC(=O)CSc2ccc(F)cc2)cc(=O)[n-]1 ZINC001363629980 1373540375 /nfs/dbraw/zinc/54/03/75/1373540375.db2.gz GWIBCIJWDGTKSL-UHFFFAOYSA-N -1 1 339.417 2.452 20 0 EEADMM Nc1ncc(Br)cc1CNC(=O)c1cc(F)ccc1[O-] ZINC001364037291 1373576738 /nfs/dbraw/zinc/57/67/38/1373576738.db2.gz XGPGSZPIYNZRLX-UHFFFAOYSA-N -1 1 340.152 2.201 20 0 EEADMM CC[C@@H](CNC(=O)c1ccccc1C(C)(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001367109304 1374103077 /nfs/dbraw/zinc/10/30/77/1374103077.db2.gz XEBSDYCJTFNFLM-LBPRGKRZSA-N -1 1 345.447 2.106 20 0 EEADMM C[C@H]1[C@H](NC(=O)CC2(C)CC2)CCCN1C(=O)c1ncccc1[O-] ZINC001370921973 1375130273 /nfs/dbraw/zinc/13/02/73/1375130273.db2.gz TXFRPQBYJMSHHH-QWHCGFSZSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1coc(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)c1 ZINC001371096207 1375221570 /nfs/dbraw/zinc/22/15/70/1375221570.db2.gz HCDYCYFMUOHILI-AWEZNQCLSA-N -1 1 345.399 2.263 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1C ZINC001371257633 1375330156 /nfs/dbraw/zinc/33/01/56/1375330156.db2.gz YZTFRYRCISEGHX-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1cc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])c(C)[nH]1 ZINC001371268080 1375338596 /nfs/dbraw/zinc/33/85/96/1375338596.db2.gz CNLDFXBGQDUVEM-QWRGUYRKSA-N -1 1 344.415 2.059 20 0 EEADMM CC[C@@H](C)CCC(=O)NC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001373066992 1376385333 /nfs/dbraw/zinc/38/53/33/1376385333.db2.gz VHJAMRRAJLDSSJ-NEPJUHHUSA-N -1 1 348.447 2.120 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc[nH]c1C(C)C ZINC001375060664 1377328717 /nfs/dbraw/zinc/32/87/17/1377328717.db2.gz RGDKBFYNSXDBET-LBPRGKRZSA-N -1 1 344.415 2.177 20 0 EEADMM CC[C@H](CNC(=O)c1ccc(C)cc1F)NC(=O)c1ncccc1[O-] ZINC001375261764 1377556856 /nfs/dbraw/zinc/55/68/56/1377556856.db2.gz XTWFOKFSMVZBPD-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM CC1(CC(=O)NCCC2CCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001375413264 1377710539 /nfs/dbraw/zinc/71/05/39/1377710539.db2.gz SSGVORIMLFAMNG-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CCc1ccccc1C(=O)NC[C@@H](CC)NC(=O)c1ncccc1[O-] ZINC001390643832 1388716100 /nfs/dbraw/zinc/71/61/00/1388716100.db2.gz ALIBEARMJYPCMH-CQSZACIVSA-N -1 1 341.411 2.288 20 0 EEADMM CC[C@H](CNC(=O)c1cccc(Cl)c1)NC(=O)c1ncccc1[O-] ZINC001390665756 1388723575 /nfs/dbraw/zinc/72/35/75/1388723575.db2.gz PVHXFTCKKLDIQW-CYBMUJFWSA-N -1 1 347.802 2.379 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])s1 ZINC001381965693 1381887780 /nfs/dbraw/zinc/88/77/80/1381887780.db2.gz YPNKAVLNHDEESA-NSHDSACASA-N -1 1 347.440 2.302 20 0 EEADMM CN(CC(C)(C)CNC(=O)c1ncccc1[O-])C(=O)[C@H]1CC1(C)C ZINC001382847778 1382238010 /nfs/dbraw/zinc/23/80/10/1382238010.db2.gz IRVYFSALBNXYDV-GFCCVEGCSA-N -1 1 333.432 2.048 20 0 EEADMM CCC1(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C23CCC3)CC1 ZINC001384065854 1382776712 /nfs/dbraw/zinc/77/67/12/1382776712.db2.gz AMCHNMRSKNOBRP-KBPBESRZSA-N -1 1 343.427 2.135 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)CC1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001384355974 1382893256 /nfs/dbraw/zinc/89/32/56/1382893256.db2.gz LDYCCBIYWWTFTA-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CCCC[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001385480365 1385609026 /nfs/dbraw/zinc/60/90/26/1385609026.db2.gz AIJDFWHQXYQGDA-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CC1 ZINC001385787135 1385843411 /nfs/dbraw/zinc/84/34/11/1385843411.db2.gz QMNJLQOSQVXZOY-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccc(C(F)F)cc1 ZINC001386740463 1386290391 /nfs/dbraw/zinc/29/03/91/1386290391.db2.gz IDOBQDTVKDYGAV-SNVBAGLBSA-N -1 1 349.337 2.273 20 0 EEADMM Cc1cccc([C@H](C)C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])c1 ZINC001386788003 1386318544 /nfs/dbraw/zinc/31/85/44/1386318544.db2.gz WZGCHQJEDCCFSI-KBPBESRZSA-N -1 1 341.411 2.134 20 0 EEADMM CC[C@@H](C)CCC(=O)NC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387219075 1386576452 /nfs/dbraw/zinc/57/64/52/1386576452.db2.gz CNHMYNPAJGHUGU-ZIAGYGMSSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(C)(C)CC(=O)NC[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001387358449 1386672569 /nfs/dbraw/zinc/67/25/69/1386672569.db2.gz BAALUQTZOAWSAB-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM CCC(CC)CC(=O)NCCC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC001391849326 1389657882 /nfs/dbraw/zinc/65/78/82/1389657882.db2.gz MVMQDHFURBMXGC-UHFFFAOYSA-N -1 1 337.468 2.055 20 0 EEADMM CC(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001391910601 1389704758 /nfs/dbraw/zinc/70/47/58/1389704758.db2.gz BFXGQQZZHAFIBX-KBPBESRZSA-N -1 1 347.459 2.484 20 0 EEADMM CC/C=C(\C)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001752831232 1406456927 /nfs/dbraw/zinc/45/69/27/1406456927.db2.gz CHOMWAJERYMERY-PHIGAYBXSA-N -1 1 347.463 2.212 20 0 EEADMM CC(C)CCC(=O)N(C)[C@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001395093888 1390784575 /nfs/dbraw/zinc/78/45/75/1390784575.db2.gz UPICPSQZYUSPHV-GFCCVEGCSA-N -1 1 348.447 2.073 20 0 EEADMM Cc1ccc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])c(Cl)c1 ZINC001397899823 1391541822 /nfs/dbraw/zinc/54/18/22/1391541822.db2.gz VOURUZYCLMGBOA-UHFFFAOYSA-N -1 1 347.802 2.251 20 0 EEADMM O=C(CCC1CCCCCC1)NC[C@@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001398429274 1392652999 /nfs/dbraw/zinc/65/29/99/1392652999.db2.gz XZSQHDQOAHUGHK-OAHLLOKOSA-N -1 1 349.479 2.245 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)NCCC[C@H]1CCCN1Cc1n[nH]c(=O)[n-]1 ZINC001753035137 1406619989 /nfs/dbraw/zinc/61/99/89/1406619989.db2.gz XCVQHPOATKJPQP-UONOGXRCSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1ccc(C(=O)NC[C@@](C)(NC(=O)c2ncccc2[O-])C2CC2)o1 ZINC001399197837 1394802743 /nfs/dbraw/zinc/80/27/43/1394802743.db2.gz KYEQHPIXTWHESX-GOSISDBHSA-N -1 1 343.383 2.017 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccsc1 ZINC001399575125 1395265259 /nfs/dbraw/zinc/26/52/59/1395265259.db2.gz NJFARRGKZRQOBV-LBPRGKRZSA-N -1 1 333.413 2.033 20 0 EEADMM CCc1ccsc1C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001400590566 1396451480 /nfs/dbraw/zinc/45/14/80/1396451480.db2.gz FQXJKVCLKNWDBJ-UHFFFAOYSA-N -1 1 345.424 2.104 20 0 EEADMM C[C@]1(CNC(=O)CCC2CCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001400965947 1396769780 /nfs/dbraw/zinc/76/97/80/1396769780.db2.gz PSUYULAIDCQXJT-LJQANCHMSA-N -1 1 345.443 2.336 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C/C=C/c2cccnc2)c(F)c1 ZINC001424346290 1401078350 /nfs/dbraw/zinc/07/83/50/1401078350.db2.gz DEPGHJDORSGCOQ-HWKANZROSA-N -1 1 340.351 2.360 20 0 EEADMM CC(C)[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001427395564 1402392391 /nfs/dbraw/zinc/39/23/91/1402392391.db2.gz LZLYFKQXNZUCQM-GXTWGEPZSA-N -1 1 333.432 2.046 20 0 EEADMM CC(C)(C)CCCC(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001432018915 1403183172 /nfs/dbraw/zinc/18/31/72/1403183172.db2.gz PIZXPRPNKJRWDE-ZDUSSCGKSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(F)c1 ZINC001434615871 1403476954 /nfs/dbraw/zinc/47/69/54/1403476954.db2.gz WYXAWWNTQMRODZ-OAHLLOKOSA-N -1 1 345.342 2.290 20 0 EEADMM CCc1csc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001578560122 1403771654 /nfs/dbraw/zinc/77/16/54/1403771654.db2.gz QVWZFGUPBBMUGL-UHFFFAOYSA-N -1 1 335.418 2.269 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1nnccc1-c1nn[n-]n1 ZINC001579916558 1403797811 /nfs/dbraw/zinc/79/78/11/1403797811.db2.gz RDTPEDVLUUQOJB-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591683801 1403938486 /nfs/dbraw/zinc/93/84/86/1403938486.db2.gz ZVLUCEJDSSNGDV-MRRMXDOQSA-N -1 1 340.840 2.017 20 0 EEADMM C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591683801 1403938492 /nfs/dbraw/zinc/93/84/92/1403938492.db2.gz ZVLUCEJDSSNGDV-MRRMXDOQSA-N -1 1 340.840 2.017 20 0 EEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC001592133453 1404003437 /nfs/dbraw/zinc/00/34/37/1404003437.db2.gz MGJUQDHYFMGETQ-UHFFFAOYSA-N -1 1 338.371 2.446 20 0 EEADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC001592133453 1404003443 /nfs/dbraw/zinc/00/34/43/1404003443.db2.gz MGJUQDHYFMGETQ-UHFFFAOYSA-N -1 1 338.371 2.446 20 0 EEADMM Cc1ccc(C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1C ZINC001592139899 1404006267 /nfs/dbraw/zinc/00/62/67/1404006267.db2.gz DRFCAAYKRNSVDC-UHFFFAOYSA-N -1 1 334.357 2.153 20 0 EEADMM Cc1noc(C)c1C[C@@H](C)Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592458068 1404693766 /nfs/dbraw/zinc/69/37/66/1404693766.db2.gz VAVVLIVUXSJNQB-MRVPVSSYSA-N -1 1 340.391 2.182 20 0 EEADMM Cc1noc(C)c1C[C@@H](C)Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592458068 1404693778 /nfs/dbraw/zinc/69/37/78/1404693778.db2.gz VAVVLIVUXSJNQB-MRVPVSSYSA-N -1 1 340.391 2.182 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCCc1ccccc1 ZINC001592494650 1404702837 /nfs/dbraw/zinc/70/28/37/1404702837.db2.gz AXQXSBLXANLMFG-UHFFFAOYSA-N -1 1 325.372 2.473 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCCc1ccccc1 ZINC001592494650 1404702847 /nfs/dbraw/zinc/70/28/47/1404702847.db2.gz AXQXSBLXANLMFG-UHFFFAOYSA-N -1 1 325.372 2.473 20 0 EEADMM Cc1nsc(NCc2ccc(OC(F)F)cn2)c1-c1nn[n-]n1 ZINC001592492964 1404702900 /nfs/dbraw/zinc/70/29/00/1404702900.db2.gz HAUVNKGOEDQNCA-UHFFFAOYSA-N -1 1 339.331 2.240 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001592500701 1404704810 /nfs/dbraw/zinc/70/48/10/1404704810.db2.gz YZBIWWNYQLNPTB-CHWSQXEVSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001592500701 1404704814 /nfs/dbraw/zinc/70/48/14/1404704814.db2.gz YZBIWWNYQLNPTB-CHWSQXEVSA-N -1 1 345.403 2.047 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3F)CC2)cc(-c2nnn[n-]2)n1 ZINC001605700624 1404750086 /nfs/dbraw/zinc/75/00/86/1404750086.db2.gz YZIHLNVZJRZWKH-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1cc(N2CCN(c3ccccc3F)CC2)cc(-c2nn[n-]n2)n1 ZINC001605700624 1404750087 /nfs/dbraw/zinc/75/00/87/1404750087.db2.gz YZIHLNVZJRZWKH-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM CN(CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12)C[C@H]1CCCOC1 ZINC001606088695 1404766516 /nfs/dbraw/zinc/76/65/16/1404766516.db2.gz FFGUEBYLUXXMCW-GFCCVEGCSA-N -1 1 330.384 2.407 20 0 EEADMM CN(Cc1cc2ccccc2o1)[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001606147312 1404767392 /nfs/dbraw/zinc/76/73/92/1404767392.db2.gz RRWZGAFJTWPOHF-OAHLLOKOSA-N -1 1 330.384 2.330 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-n3cnnc3)c2)c1 ZINC000121818451 1404923242 /nfs/dbraw/zinc/92/32/42/1404923242.db2.gz DDHUJRBXHJECDG-UHFFFAOYSA-N -1 1 337.339 2.184 20 0 EEADMM CCC[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000185061455 1406054434 /nfs/dbraw/zinc/05/44/34/1406054434.db2.gz WVHCWAHYPNVWKS-QMTHXVAHSA-N -1 1 328.359 2.327 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CCN(Cc2nccs2)CC1 ZINC000997560066 790288791 /nfs/dbraw/zinc/28/87/91/790288791.db2.gz KSUDDADRTRTINF-LBPRGKRZSA-N -1 1 346.456 2.274 20 0 EEADMM C[C@@H]1CCN(C(=O)C2=CCCCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087154876 759694752 /nfs/dbraw/zinc/69/47/52/759694752.db2.gz PAVJPHUPIPZDOC-HIFRSBDPSA-N -1 1 347.463 2.118 20 0 EEADMM COC(=O)c1cc([O-])c(Br)c(OC[C@H]2C[C@@H](O)C2)c1 ZINC001218434192 764875427 /nfs/dbraw/zinc/87/54/27/764875427.db2.gz AGEKIHQNOFVEBH-OTSSQURYSA-N -1 1 331.162 2.091 20 0 EEADMM Cc1nsc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125857930 764988918 /nfs/dbraw/zinc/98/89/18/764988918.db2.gz QPRANNXJHXLKKT-LLVKDONJSA-N -1 1 335.433 2.204 20 0 EEADMM CC1CCC(N2C[C@@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)CC1 ZINC000154997018 769949724 /nfs/dbraw/zinc/94/97/24/769949724.db2.gz NVUJJGIMRVIXNW-CXQJBGSLSA-N -1 1 336.354 2.414 20 0 EEADMM Cc1ccc(F)c(CN2CC(CNC(=O)c3ncccc3[O-])C2)c1 ZINC001031628446 770444711 /nfs/dbraw/zinc/44/47/11/770444711.db2.gz MKSMOVMEJZGANX-UHFFFAOYSA-N -1 1 329.375 2.097 20 0 EEADMM CC/C=C(\C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000920505681 770738719 /nfs/dbraw/zinc/73/87/19/770738719.db2.gz CERRDPRQZSQOCL-ONNFQVAWSA-N -1 1 341.310 2.444 20 0 EEADMM C[C@@H]1CC[C@H](CC(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979668459 770815324 /nfs/dbraw/zinc/81/53/24/770815324.db2.gz QJZZUKDUNCJKOB-LXTVHRRPSA-N -1 1 345.443 2.238 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC000942755324 783139484 /nfs/dbraw/zinc/13/94/84/783139484.db2.gz FIMCHMDYDNDKBB-ZDUSSCGKSA-N -1 1 349.406 2.133 20 0 EEADMM CC[C@H](CC(C)C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001060759488 775229797 /nfs/dbraw/zinc/22/97/97/775229797.db2.gz BKEJLJQPAGHQLM-RBSFLKMASA-N -1 1 349.479 2.282 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2cnn[nH]2)CC1 ZINC001060759615 775243415 /nfs/dbraw/zinc/24/34/15/775243415.db2.gz GHALFRYKSPKBKC-UMVBOHGHSA-N -1 1 349.479 2.282 20 0 EEADMM Cc1cc([O-])c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)o1 ZINC000181386067 776412205 /nfs/dbraw/zinc/41/22/05/776412205.db2.gz GJJGDDARPSOCIH-KQIUPUNMSA-N -1 1 335.699 2.476 20 0 EEADMM O=C(N[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1)c1ncccc1[O-] ZINC000940130093 778137377 /nfs/dbraw/zinc/13/73/77/778137377.db2.gz FRJIHNMTEUGGHT-UONOGXRCSA-N -1 1 343.427 2.088 20 0 EEADMM CC1CCC(C)(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000940136010 778144877 /nfs/dbraw/zinc/14/48/77/778144877.db2.gz QEMCWYWZYWGHBB-SHYRYGCCSA-N -1 1 345.443 2.334 20 0 EEADMM CCOc1ccccc1C(F)(F)C(=O)Nc1nc[n-]c1C(=O)OC ZINC000847020313 790836088 /nfs/dbraw/zinc/83/60/88/790836088.db2.gz DGUPVPYNNUVBOY-UHFFFAOYSA-N -1 1 339.298 2.326 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2ncnc3[nH]cc(F)c32)Cc2ccccc2C1 ZINC001167931967 780964151 /nfs/dbraw/zinc/96/41/51/780964151.db2.gz KRPDOYNJGNVRBV-UHFFFAOYSA-N -1 1 348.274 2.182 20 0 EEADMM O=[P@]([O-])(O)C1(Nc2nccnc2C(F)F)Cc2ccccc2C1 ZINC001167934754 780988709 /nfs/dbraw/zinc/98/87/09/780988709.db2.gz JZLNMRVLGYFCJU-UHFFFAOYSA-N -1 1 341.254 2.499 20 0 EEADMM CSc1nc(C)c(CCC(=O)N[C@H]2CC[C@@H](SC)C2)c(=O)[n-]1 ZINC000080850540 781041654 /nfs/dbraw/zinc/04/16/54/781041654.db2.gz CJBBGTVHKZGERS-WDEREUQCSA-N -1 1 341.502 2.133 20 0 EEADMM CCC1(C(=O)N(C)[C@H]2CCCN(C(=O)c3ncccc3[O-])CC2)CC1 ZINC001079068113 790846997 /nfs/dbraw/zinc/84/69/97/790846997.db2.gz CQAGNBAPTRDYNP-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM Cc1cccc2nc(N(C)CCN(C)C(=O)c3ncccc3[O-])oc21 ZINC001105376643 781075878 /nfs/dbraw/zinc/07/58/78/781075878.db2.gz ZBBBZIZDBZQGOR-UHFFFAOYSA-N -1 1 340.383 2.445 20 0 EEADMM Cc1nccc(N[C@H](C)C2CCN(C(=O)c3ncccc3[O-])CC2)n1 ZINC001061840069 783751142 /nfs/dbraw/zinc/75/11/42/783751142.db2.gz KPWCHBMOAWRLJS-GFCCVEGCSA-N -1 1 341.415 2.238 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)c1ccccc1 ZINC000945288176 783781644 /nfs/dbraw/zinc/78/16/44/783781644.db2.gz JTXRYHJDOYTIDV-UKRRQHHQSA-N -1 1 339.395 2.068 20 0 EEADMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3c(cccc3F)s2)C1=O ZINC000906490829 783941274 /nfs/dbraw/zinc/94/12/74/783941274.db2.gz XGFQCCBTMBYLMV-HNNXBMFYSA-N -1 1 335.360 2.406 20 0 EEADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000816741471 784230673 /nfs/dbraw/zinc/23/06/73/784230673.db2.gz NHIUSDGRHSFZHT-UHFFFAOYSA-N -1 1 343.792 2.123 20 0 EEADMM O=C(NN1CCCCC1)c1cc(I)ccc1[O-] ZINC000218201188 784335644 /nfs/dbraw/zinc/33/56/44/784335644.db2.gz KODNHRBZJHOYAN-UHFFFAOYSA-N -1 1 346.168 2.128 20 0 EEADMM CCSc1ccc(CC(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000907473836 784642342 /nfs/dbraw/zinc/64/23/42/784642342.db2.gz HCTOLWHMWIQYCI-ZDUSSCGKSA-N -1 1 349.485 2.171 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479545 784685298 /nfs/dbraw/zinc/68/52/98/784685298.db2.gz LFZOCTGOCPTAHJ-BRADTZPFSA-N -1 1 329.429 2.228 20 0 EEADMM O=C(C=Cc1ccc2[nH]ccc2c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907478843 784685733 /nfs/dbraw/zinc/68/57/33/784685733.db2.gz WSOFZIWQRLRPSM-CTGSTSKSSA-N -1 1 340.412 2.011 20 0 EEADMM CC[C@@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1ccc(OC)cc1 ZINC000907480589 784687684 /nfs/dbraw/zinc/68/76/84/784687684.db2.gz UQJFUXFHRMPQKT-KGLIPLIRSA-N -1 1 347.444 2.019 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@H]1CNC(=O)C1CCCC1 ZINC000945753713 784776732 /nfs/dbraw/zinc/77/67/32/784776732.db2.gz CGGMQQSCSJNUHE-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCO[C@H](C)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817491695 784794897 /nfs/dbraw/zinc/79/48/97/784794897.db2.gz CXPQWCJBANJZAD-PWSUYJOCSA-N -1 1 344.333 2.048 20 0 EEADMM CC[C@@H](OC)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817492833 784794994 /nfs/dbraw/zinc/79/49/94/784794994.db2.gz NMYSQHVZQXHCJE-DGCLKSJQSA-N -1 1 344.333 2.048 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)NCC1CC1)C(F)(F)F ZINC000817571426 784843260 /nfs/dbraw/zinc/84/32/60/784843260.db2.gz QLTVFAQPLFTPIP-LBPRGKRZSA-N -1 1 341.333 2.216 20 0 EEADMM Cn1nccc1[C@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907962029 784990776 /nfs/dbraw/zinc/99/07/76/784990776.db2.gz XLGNEQROYUSVAS-CQSZACIVSA-N -1 1 327.388 2.161 20 0 EEADMM CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)N1CCCCC1 ZINC000908069141 785063097 /nfs/dbraw/zinc/06/30/97/785063097.db2.gz QKRIZYHSXHORBF-UHFFFAOYSA-N -1 1 329.404 2.380 20 0 EEADMM O=C(CN1CC[C@@H](C(=O)[O-])C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000819151742 785425767 /nfs/dbraw/zinc/42/57/67/785425767.db2.gz UYBNUEXEISJPHI-GFCCVEGCSA-N -1 1 346.383 2.073 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908698463 785637510 /nfs/dbraw/zinc/63/75/10/785637510.db2.gz MDXVYSUFSOXXQP-CYBMUJFWSA-N -1 1 344.415 2.181 20 0 EEADMM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709012 785661201 /nfs/dbraw/zinc/66/12/01/785661201.db2.gz FUAGMRGFYSSKMC-DTWKUNHWSA-N -1 1 341.205 2.385 20 0 EEADMM C[C@H](C(=O)[O-])N(C(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CC1 ZINC000908744367 785683300 /nfs/dbraw/zinc/68/33/00/785683300.db2.gz RYRUAEUDOUFTRQ-UKRRQHHQSA-N -1 1 349.431 2.454 20 0 EEADMM CCC[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908780040 785717992 /nfs/dbraw/zinc/71/79/92/785717992.db2.gz QBTPBZFDAUBWBD-DLBZAZTESA-N -1 1 332.444 2.311 20 0 EEADMM CC(C)(CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000908782652 785720868 /nfs/dbraw/zinc/72/08/68/785720868.db2.gz GPVLFKQWFXGGIL-CYBMUJFWSA-N -1 1 336.407 2.016 20 0 EEADMM COc1cccc(S([O-])=CC(=O)O[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000820096311 785789096 /nfs/dbraw/zinc/78/90/96/785789096.db2.gz CQLUFCTWVPCXON-CIXWTQSLSA-N -1 1 338.425 2.160 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@@](C)(CC)C(=O)[O-])c1ccco1 ZINC000908875717 785814903 /nfs/dbraw/zinc/81/49/03/785814903.db2.gz JNTMMACCPDUFTD-WBMJQRKESA-N -1 1 325.409 2.215 20 0 EEADMM C[C@@H](CNC(=O)N([C@@H](C)C(=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000908914083 785831710 /nfs/dbraw/zinc/83/17/10/785831710.db2.gz VYOYJDQNLJBYRO-KBPBESRZSA-N -1 1 345.443 2.080 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N[C@@H](CC2CC2)C(=O)[O-])N2CCCC2)o1 ZINC000908924931 785873391 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797629051 /nfs/dbraw/zinc/62/90/51/797629051.db2.gz BWAIDHUEEYKHCA-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001212767278 797922093 /nfs/dbraw/zinc/92/20/93/797922093.db2.gz XMAPEJPSJHURHI-UHFFFAOYSA-N -1 1 338.323 2.432 20 0 EEADMM Cc1cnc(C)nc1N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001061076755 797941529 /nfs/dbraw/zinc/94/15/29/797941529.db2.gz UEJLNJBIKPHYDR-UONOGXRCSA-N -1 1 341.415 2.347 20 0 EEADMM CCOC(=O)c1nc[n-]c1-c1nc(-c2cc(OC)ccc2F)no1 ZINC001212768071 798004129 /nfs/dbraw/zinc/00/41/29/798004129.db2.gz MOUZWTQPIDTTMG-UHFFFAOYSA-N -1 1 332.291 2.451 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001002410912 798028528 /nfs/dbraw/zinc/02/85/28/798028528.db2.gz IKZYGYZLPPSERP-QLFBSQMISA-N -1 1 345.443 2.286 20 0 EEADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc4nccnc4c3)cc21 ZINC000917751275 798345811 /nfs/dbraw/zinc/34/58/11/798345811.db2.gz VUERXHDDWFIMBQ-UHFFFAOYSA-N -1 1 341.348 2.101 20 0 EEADMM 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CCn1ccnc1CN1CCCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000737302867 578249192 /nfs/dbraw/zinc/24/91/92/578249192.db2.gz JSJHBZDMKZRGIG-UHFFFAOYSA-N -1 1 346.431 2.211 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737348413 578251826 /nfs/dbraw/zinc/25/18/26/578251826.db2.gz YAXZMFYYXCSDRQ-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737348413 578251827 /nfs/dbraw/zinc/25/18/27/578251827.db2.gz YAXZMFYYXCSDRQ-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM CN(C)Cc1cc(CNC(=O)NCc2ccc(C(=O)[O-])o2)ccc1F ZINC000737368275 578253294 /nfs/dbraw/zinc/25/32/94/578253294.db2.gz JYRQBBGQEQVYLY-UHFFFAOYSA-N -1 1 349.362 2.178 20 0 EEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737436924 578257396 /nfs/dbraw/zinc/25/73/96/578257396.db2.gz UGAUGOWERLZLNK-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1csc([C@@H]2CCCN(c3cccc(-c4nnn[n-]4)n3)C2)n1 ZINC000737454475 578258535 /nfs/dbraw/zinc/25/85/35/578258535.db2.gz AMNRNWBPGCRUHJ-LLVKDONJSA-N -1 1 327.417 2.411 20 0 EEADMM Cc1csc([C@@H]2CCCN(c3cccc(-c4nn[n-]n4)n3)C2)n1 ZINC000737454475 578258536 /nfs/dbraw/zinc/25/85/36/578258536.db2.gz AMNRNWBPGCRUHJ-LLVKDONJSA-N -1 1 327.417 2.411 20 0 EEADMM Cc1nc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cs1 ZINC000737472147 578259912 /nfs/dbraw/zinc/25/99/12/578259912.db2.gz QKRYHUSPWGLVIE-UHFFFAOYSA-N -1 1 338.400 2.229 20 0 EEADMM Cc1nc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cs1 ZINC000737472147 578259913 /nfs/dbraw/zinc/25/99/13/578259913.db2.gz QKRYHUSPWGLVIE-UHFFFAOYSA-N -1 1 338.400 2.229 20 0 EEADMM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737489062 578260414 /nfs/dbraw/zinc/26/04/14/578260414.db2.gz VCEDBTWLRARRSP-GFCCVEGCSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737489062 578260415 /nfs/dbraw/zinc/26/04/15/578260415.db2.gz VCEDBTWLRARRSP-GFCCVEGCSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)C1CCC1 ZINC000737548129 578263368 /nfs/dbraw/zinc/26/33/68/578263368.db2.gz NCUUICGYTQHXCI-UHFFFAOYSA-N -1 1 326.360 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)C1CCC1 ZINC000737548129 578263369 /nfs/dbraw/zinc/26/33/69/578263369.db2.gz NCUUICGYTQHXCI-UHFFFAOYSA-N -1 1 326.360 2.183 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)OCCO3)nc1-c1nnn[n-]1 ZINC000737576180 578265314 /nfs/dbraw/zinc/26/53/14/578265314.db2.gz XLEVRIUOTNYEBE-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)OCCO3)nc1-c1nn[n-]n1 ZINC000737576180 578265315 /nfs/dbraw/zinc/26/53/15/578265315.db2.gz XLEVRIUOTNYEBE-UHFFFAOYSA-N -1 1 344.762 2.298 20 0 EEADMM Cn1ccc2c1cccc2NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737613950 578266797 /nfs/dbraw/zinc/26/67/97/578266797.db2.gz UOXAUUHCFACYNC-UHFFFAOYSA-N -1 1 325.376 2.103 20 0 EEADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)N1CCC(c2nn[n-]n2)CC1 ZINC000737952802 578274176 /nfs/dbraw/zinc/27/41/76/578274176.db2.gz BHQPUNXEHIFSKU-UHFFFAOYSA-N -1 1 344.806 2.283 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1 ZINC000819357567 597041204 /nfs/dbraw/zinc/04/12/04/597041204.db2.gz FKUXFHHCMKKEAQ-CABCVRRESA-N -1 1 349.431 2.313 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(CN2C[C@H](c3cccc(F)c3)CC2=O)C1 ZINC000819380172 597048307 /nfs/dbraw/zinc/04/83/07/597048307.db2.gz JHHUABQWMPTBDV-DZGCQCFKSA-N -1 1 334.391 2.286 20 0 EEADMM C[C@@H]1Oc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820819123 607308553 /nfs/dbraw/zinc/30/85/53/607308553.db2.gz FFDZJRZACQDOCD-QMMMGPOBSA-N -1 1 342.384 2.260 20 0 EEADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000820398343 598142122 /nfs/dbraw/zinc/14/21/22/598142122.db2.gz OQASQGCEKRLDPL-UHFFFAOYSA-N -1 1 349.364 2.136 20 0 EEADMM O=C([O-])[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000324427069 598199421 /nfs/dbraw/zinc/19/94/21/598199421.db2.gz OZSJKFUNWFHRFB-KRWDZBQOSA-N -1 1 325.320 2.414 20 0 EEADMM Cc1ccn(CCOc2cccc(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000822374400 607348392 /nfs/dbraw/zinc/34/83/92/607348392.db2.gz VAJKPBBEQKHUPA-UHFFFAOYSA-N -1 1 331.763 2.069 20 0 EEADMM CC(C)(C)OC(=O)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000819928100 599688623 /nfs/dbraw/zinc/68/86/23/599688623.db2.gz IGTVBUDJGGMVOY-UHFFFAOYSA-N -1 1 338.799 2.449 20 0 EEADMM CC(C)(C)OC(=O)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000819928100 599688624 /nfs/dbraw/zinc/68/86/24/599688624.db2.gz IGTVBUDJGGMVOY-UHFFFAOYSA-N -1 1 338.799 2.449 20 0 EEADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822034831 599689674 /nfs/dbraw/zinc/68/96/74/599689674.db2.gz MTIPILGJOBIHGW-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1N1CCOC1=O ZINC000822255312 599695115 /nfs/dbraw/zinc/69/51/15/599695115.db2.gz YYGKXSJCXBNPDY-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1N1CCOC1=O ZINC000822255312 599695116 /nfs/dbraw/zinc/69/51/16/599695116.db2.gz YYGKXSJCXBNPDY-UHFFFAOYSA-N -1 1 340.343 2.337 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000325515605 599823497 /nfs/dbraw/zinc/82/34/97/599823497.db2.gz OUYCYEDKYZOHDN-MRXNPFEDSA-N -1 1 331.416 2.406 20 0 EEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 ZINC000035296023 600243678 /nfs/dbraw/zinc/24/36/78/600243678.db2.gz PFRMVEPAASSGLF-UHFFFAOYSA-N -1 1 326.761 2.163 20 0 EEADMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(=O)oc3cc([O-])ccc13)CC2 ZINC000405312426 600307318 /nfs/dbraw/zinc/30/73/18/600307318.db2.gz FXLYNHPPULJZTL-AWEZNQCLSA-N -1 1 329.352 2.185 20 0 EEADMM CCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829804381 600739361 /nfs/dbraw/zinc/73/93/61/600739361.db2.gz WLMGZQVWJVCYAV-INIZCTEOSA-N -1 1 330.359 2.491 20 0 EEADMM CN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000830959950 600834703 /nfs/dbraw/zinc/83/47/03/600834703.db2.gz DDTDLGUCQUITPC-HUUCEWRRSA-N -1 1 345.443 2.268 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccn1 ZINC000833126258 600974640 /nfs/dbraw/zinc/97/46/40/600974640.db2.gz JREFTZVKGGDDQC-KRWDZBQOSA-N -1 1 348.362 2.198 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000827355799 601089194 /nfs/dbraw/zinc/08/91/94/601089194.db2.gz MMGOYNRVZMHTRP-JOAKQRRISA-N -1 1 342.848 2.422 20 0 EEADMM O=C([O-])CCc1nnc(NC(=O)c2occc2Br)s1 ZINC000833242610 601268881 /nfs/dbraw/zinc/26/88/81/601268881.db2.gz SVEAIFLYHBLUFX-UHFFFAOYSA-N -1 1 346.162 2.163 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000827385118 601337590 /nfs/dbraw/zinc/33/75/90/601337590.db2.gz GEXUDMVFEHAILF-NSHDSACASA-N -1 1 325.409 2.003 20 0 EEADMM Cc1ccc(F)c(NC(=S)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1 ZINC000832935946 601338403 /nfs/dbraw/zinc/33/84/03/601338403.db2.gz RIRODMJHUIBUBX-LBPRGKRZSA-N -1 1 339.436 2.312 20 0 EEADMM C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@H]1C(=O)[O-] ZINC000828456370 601508428 /nfs/dbraw/zinc/50/84/28/601508428.db2.gz KOUONAOZGCKOSN-WCBMZHEXSA-N -1 1 342.189 2.330 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)C[C@H](c2ccsc2)O1 ZINC000824995325 607513985 /nfs/dbraw/zinc/51/39/85/607513985.db2.gz YSRZKUIXEMRCDZ-XHDPSFHLSA-N -1 1 342.428 2.285 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])[nH]1 ZINC000833021908 601610640 /nfs/dbraw/zinc/61/06/40/601610640.db2.gz SDFYJUPNCVLYHB-YGRLFVJLSA-N -1 1 348.428 2.174 20 0 EEADMM CCCCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000236841803 601747249 /nfs/dbraw/zinc/74/72/49/601747249.db2.gz WCLHZXUORJHNAU-GFCCVEGCSA-N -1 1 334.332 2.234 20 0 EEADMM FC1(F)CN(Cc2ccnc(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000826370300 607524823 /nfs/dbraw/zinc/52/48/23/607524823.db2.gz MJKVHTGDWQOZHC-UHFFFAOYSA-N -1 1 328.326 2.369 20 0 EEADMM FC1(F)CN(Cc2ccnc(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000826370300 607524825 /nfs/dbraw/zinc/52/48/25/607524825.db2.gz MJKVHTGDWQOZHC-UHFFFAOYSA-N -1 1 328.326 2.369 20 0 EEADMM COCCCn1c(=O)[nH]nc1SCc1ccsc1C(=O)[O-] ZINC000831705617 601808187 /nfs/dbraw/zinc/80/81/87/601808187.db2.gz WXRIAXNUMHMPPQ-UHFFFAOYSA-N -1 1 329.403 2.072 20 0 EEADMM COc1ccc(CN(C(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)C2CC2)cc1 ZINC000832304442 601869806 /nfs/dbraw/zinc/86/98/06/601869806.db2.gz OCIOZPSSSADWRY-KRWDZBQOSA-N -1 1 348.443 2.275 20 0 EEADMM Cc1ccc(N2CCC[C@H](N3CCSC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000832936675 601920225 /nfs/dbraw/zinc/92/02/25/601920225.db2.gz OFFPXBMGNDFDKR-CVEARBPZSA-N -1 1 348.468 2.383 20 0 EEADMM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825978086 601926849 /nfs/dbraw/zinc/92/68/49/601926849.db2.gz XACASTRPEPSTOA-RQJABVFESA-N -1 1 328.478 2.057 20 0 EEADMM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCSC[C@H]1CC(=O)[O-] ZINC000825978088 601926975 /nfs/dbraw/zinc/92/69/75/601926975.db2.gz XACASTRPEPSTOA-XJFOESAGSA-N -1 1 328.478 2.057 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000832846944 604277953 /nfs/dbraw/zinc/27/79/53/604277953.db2.gz ZTYHRDHYYGOFLZ-GFCCVEGCSA-N -1 1 335.429 2.424 20 0 EEADMM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000833282318 604339338 /nfs/dbraw/zinc/33/93/38/604339338.db2.gz VBXLOSHNJPMODI-CYBMUJFWSA-N -1 1 329.360 2.376 20 0 EEADMM CC(C)n1ccnc1CN1CCCN(Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833513812 604636385 /nfs/dbraw/zinc/63/63/85/604636385.db2.gz UDHUORPUPNASLX-UHFFFAOYSA-N -1 1 345.447 2.198 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(Br)c1O ZINC000833212394 604669958 /nfs/dbraw/zinc/66/99/58/604669958.db2.gz XZUULGZUNHJNMP-QMMMGPOBSA-N -1 1 328.162 2.234 20 0 EEADMM C[C@]1(NS(=O)(=O)c2c(F)cccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570381 604809124 /nfs/dbraw/zinc/80/91/24/604809124.db2.gz SEIAIPSYDNPXRY-OTYXRUKQSA-N -1 1 333.356 2.277 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(C/C=C\c3ccccc3)CC2)O1 ZINC000833578174 604827951 /nfs/dbraw/zinc/82/79/51/604827951.db2.gz IAFDQLXKLLPHFE-MTIYJEKLSA-N -1 1 342.439 2.465 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000833782077 604929945 /nfs/dbraw/zinc/92/99/45/604929945.db2.gz LXHHPTAZTUHERP-NEPJUHHUSA-N -1 1 333.306 2.009 20 0 EEADMM CCc1ccc([C@@H](C)CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1 ZINC000833671223 605083001 /nfs/dbraw/zinc/08/30/01/605083001.db2.gz UDXLRLPQRXVOFU-LRDDRELGSA-N -1 1 329.400 2.278 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C[C@@H]1C ZINC000833659168 605143296 /nfs/dbraw/zinc/14/32/96/605143296.db2.gz YUCJISGLZVNMQW-STQMWFEESA-N -1 1 349.431 2.018 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1OCC1CC1 ZINC000833623834 605158873 /nfs/dbraw/zinc/15/88/73/605158873.db2.gz GNQLSLUYIKCSKP-CQSZACIVSA-N -1 1 346.427 2.096 20 0 EEADMM Cc1cccc(-c2noc(CN3CCN(CCC(=O)[O-])C[C@@H]3C)n2)c1 ZINC000833752299 605201537 /nfs/dbraw/zinc/20/15/37/605201537.db2.gz PQRDRZDBJGPWAE-AWEZNQCLSA-N -1 1 344.415 2.026 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833748217 605472262 /nfs/dbraw/zinc/47/22/62/605472262.db2.gz DNVOCFDKRDVWIY-JKSUJKDBSA-N -1 1 332.444 2.181 20 0 EEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821455718 606121548 /nfs/dbraw/zinc/12/15/48/606121548.db2.gz LHZSHBWUIPYRCX-WCQYABFASA-N -1 1 332.433 2.056 20 0 EEADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821455718 606121550 /nfs/dbraw/zinc/12/15/50/606121550.db2.gz LHZSHBWUIPYRCX-WCQYABFASA-N -1 1 332.433 2.056 20 0 EEADMM O=C(OCc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000823427063 606138543 /nfs/dbraw/zinc/13/85/43/606138543.db2.gz UNIFMDZIMZPKMP-UHFFFAOYSA-N -1 1 344.352 2.056 20 0 EEADMM O=C(OCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000823427063 606138545 /nfs/dbraw/zinc/13/85/45/606138545.db2.gz UNIFMDZIMZPKMP-UHFFFAOYSA-N -1 1 344.352 2.056 20 0 EEADMM CC1(C)[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H]2CCCO[C@H]21 ZINC000820583279 606179844 /nfs/dbraw/zinc/17/98/44/606179844.db2.gz BUVFREDVWRHWOO-XXILOJSOSA-N -1 1 334.401 2.289 20 0 EEADMM CC1(C)[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H]2CCCO[C@H]21 ZINC000820583279 606179846 /nfs/dbraw/zinc/17/98/46/606179846.db2.gz BUVFREDVWRHWOO-XXILOJSOSA-N -1 1 334.401 2.289 20 0 EEADMM O=C(Cc1cccc(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823111141 606295613 /nfs/dbraw/zinc/29/56/13/606295613.db2.gz BKZGEZYMZYJEAM-UHFFFAOYSA-N -1 1 329.747 2.407 20 0 EEADMM Clc1ccc(Oc2cccc(-n3cncn3)c2)nc1-c1nnn[n-]1 ZINC000822578577 606467276 /nfs/dbraw/zinc/46/72/76/606467276.db2.gz KWUMLSJWMMFINP-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM Clc1ccc(Oc2cccc(-n3cncn3)c2)nc1-c1nn[n-]n1 ZINC000822578577 606467277 /nfs/dbraw/zinc/46/72/77/606467277.db2.gz KWUMLSJWMMFINP-UHFFFAOYSA-N -1 1 340.734 2.288 20 0 EEADMM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323498 606501226 /nfs/dbraw/zinc/50/12/26/606501226.db2.gz QPAXHKHTUNSRMY-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM CCc1cnc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000821496955 606582581 /nfs/dbraw/zinc/58/25/81/606582581.db2.gz MSLSEHWIIDKIOX-UHFFFAOYSA-N -1 1 334.430 2.219 20 0 EEADMM CCc1cnc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000821496955 606582582 /nfs/dbraw/zinc/58/25/82/606582582.db2.gz MSLSEHWIIDKIOX-UHFFFAOYSA-N -1 1 334.430 2.219 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822259269 606650701 /nfs/dbraw/zinc/65/07/01/606650701.db2.gz ROWGSUVBSJNXGD-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM Cc1ccc(O[C@H](C)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822259269 606650702 /nfs/dbraw/zinc/65/07/02/606650702.db2.gz ROWGSUVBSJNXGD-GFCCVEGCSA-N -1 1 339.355 2.081 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCCC2 ZINC000823436123 606653955 /nfs/dbraw/zinc/65/39/55/606653955.db2.gz HQBXIHZJYYHCOM-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCCC2 ZINC000823436123 606653956 /nfs/dbraw/zinc/65/39/56/606653956.db2.gz HQBXIHZJYYHCOM-UHFFFAOYSA-N -1 1 335.367 2.498 20 0 EEADMM CCOc1cccc(COC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC000821431244 606739087 /nfs/dbraw/zinc/73/90/87/606739087.db2.gz NIOKQKUWZSYMKW-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccnn1C1CCCC1 ZINC000823294604 607159282 /nfs/dbraw/zinc/15/92/82/607159282.db2.gz JLCOQHZUUGPLSK-UHFFFAOYSA-N -1 1 339.359 2.136 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824123872 607775547 /nfs/dbraw/zinc/77/55/47/607775547.db2.gz KWKLHWUSLKERSH-UHFFFAOYSA-N -1 1 339.359 2.086 20 0 EEADMM CC(C)(C)Oc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824123872 607775548 /nfs/dbraw/zinc/77/55/48/607775548.db2.gz KWKLHWUSLKERSH-UHFFFAOYSA-N -1 1 339.359 2.086 20 0 EEADMM Fc1cccc(OCc2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826378154 607863892 /nfs/dbraw/zinc/86/38/92/607863892.db2.gz XWOVUVQFFBHVEL-UHFFFAOYSA-N -1 1 328.303 2.356 20 0 EEADMM Fc1cccc(OCc2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826378154 607863893 /nfs/dbraw/zinc/86/38/93/607863893.db2.gz XWOVUVQFFBHVEL-UHFFFAOYSA-N -1 1 328.303 2.356 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cc(F)ccc1F ZINC000826418544 607864716 /nfs/dbraw/zinc/86/47/16/607864716.db2.gz LNYQVKSFUUATSB-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cc(F)ccc1F ZINC000826418544 607864717 /nfs/dbraw/zinc/86/47/17/607864717.db2.gz LNYQVKSFUUATSB-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cc(F)cc(F)c1 ZINC000826418378 607866488 /nfs/dbraw/zinc/86/64/88/607866488.db2.gz CWIMSIXYZIAKEC-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cc(F)cc(F)c1 ZINC000826418378 607866489 /nfs/dbraw/zinc/86/64/89/607866489.db2.gz CWIMSIXYZIAKEC-UHFFFAOYSA-N -1 1 349.272 2.302 20 0 EEADMM CCCN(CCNc1cccc(-c2nnn[n-]2)n1)C(=O)OC(C)(C)C ZINC000825313452 607902979 /nfs/dbraw/zinc/90/29/79/607902979.db2.gz GANYTLADRMJRLP-UHFFFAOYSA-N -1 1 347.423 2.321 20 0 EEADMM CCCN(CCNc1cccc(-c2nn[n-]n2)n1)C(=O)OC(C)(C)C ZINC000825313452 607902980 /nfs/dbraw/zinc/90/29/80/607902980.db2.gz GANYTLADRMJRLP-UHFFFAOYSA-N -1 1 347.423 2.321 20 0 EEADMM CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825717184 607906223 /nfs/dbraw/zinc/90/62/23/607906223.db2.gz IMIBTBIXKYDTEC-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000826356789 607927741 /nfs/dbraw/zinc/92/77/41/607927741.db2.gz FXXVONRNKFBHHM-IJLUTSLNSA-N -1 1 329.408 2.145 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000826356789 607927742 /nfs/dbraw/zinc/92/77/42/607927742.db2.gz FXXVONRNKFBHHM-IJLUTSLNSA-N -1 1 329.408 2.145 20 0 EEADMM CCCOCc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825338902 607988988 /nfs/dbraw/zinc/98/89/88/607988988.db2.gz JNQMEFFFCAIIEO-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM CCCOCc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825338902 607988989 /nfs/dbraw/zinc/98/89/89/607988989.db2.gz JNQMEFFFCAIIEO-UHFFFAOYSA-N -1 1 325.376 2.195 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(-n2ccnc2)c1 ZINC000824658283 607991013 /nfs/dbraw/zinc/99/10/13/607991013.db2.gz VLJFQDGCXPONGH-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)c1ccc(F)cc1 ZINC000826450941 607998974 /nfs/dbraw/zinc/99/89/74/607998974.db2.gz JJXWJDQREHGRKR-UHFFFAOYSA-N -1 1 349.272 2.442 20 0 EEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824970896 608102646 /nfs/dbraw/zinc/10/26/46/608102646.db2.gz YRLKNZIBHXCXDF-ZBEGNZNMSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824970896 608102647 /nfs/dbraw/zinc/10/26/47/608102647.db2.gz YRLKNZIBHXCXDF-ZBEGNZNMSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824052570 608188041 /nfs/dbraw/zinc/18/80/41/608188041.db2.gz POXUDCQSRXCNEX-LURJTMIESA-N -1 1 344.828 2.143 20 0 EEADMM C[C@@H](C(=O)OC(C)(C)C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824052570 608188042 /nfs/dbraw/zinc/18/80/42/608188042.db2.gz POXUDCQSRXCNEX-LURJTMIESA-N -1 1 344.828 2.143 20 0 EEADMM Cc1cc(NCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826271322 608236796 /nfs/dbraw/zinc/23/67/96/608236796.db2.gz MZBLSLIBORYALP-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1cc(NCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826271322 608236798 /nfs/dbraw/zinc/23/67/98/608236798.db2.gz MZBLSLIBORYALP-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM COC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC000826152202 608299270 /nfs/dbraw/zinc/29/92/70/608299270.db2.gz SXADZIABPBJGDZ-CYBMUJFWSA-N -1 1 332.314 2.340 20 0 EEADMM COC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC000826152202 608299271 /nfs/dbraw/zinc/29/92/71/608299271.db2.gz SXADZIABPBJGDZ-CYBMUJFWSA-N -1 1 332.314 2.340 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1ccc(-c2nnn[n-]2)nn1 ZINC000824868013 608391193 /nfs/dbraw/zinc/39/11/93/608391193.db2.gz SGIKHZFHFIOEMI-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM C[C@@H]1CC(=O)c2c1c(F)ccc2Oc1ccc(-c2nn[n-]n2)nn1 ZINC000824868013 608391195 /nfs/dbraw/zinc/39/11/95/608391195.db2.gz SGIKHZFHFIOEMI-SSDOTTSWSA-N -1 1 326.291 2.278 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826525686 608417801 /nfs/dbraw/zinc/41/78/01/608417801.db2.gz VISZBCBLYKEISM-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM c1cnc2c(c1)cccc2OCCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826525686 608417802 /nfs/dbraw/zinc/41/78/02/608417802.db2.gz VISZBCBLYKEISM-UHFFFAOYSA-N -1 1 348.370 2.086 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(-n2cccn2)cc1 ZINC000826281004 608543791 /nfs/dbraw/zinc/54/37/91/608543791.db2.gz ZHJOZVSFQUKVJQ-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM COc1ccccc1OCCN(C)c1nc(-c2nn[n-]n2)ccc1C ZINC000826220248 608544543 /nfs/dbraw/zinc/54/45/43/608544543.db2.gz HMMOUAFHVJKRQI-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM CC=CC=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825029413 609290699 /nfs/dbraw/zinc/29/06/99/609290699.db2.gz SBOLPGFHHZTSTN-CRBCFSCISA-N -1 1 339.334 2.262 20 0 EEADMM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825059940 609642353 /nfs/dbraw/zinc/64/23/53/609642353.db2.gz MIFJSQWECUFTJX-DTWKUNHWSA-N -1 1 349.391 2.240 20 0 EEADMM CC(C)c1ocnc1CN1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000969541383 675098200 /nfs/dbraw/zinc/09/82/00/675098200.db2.gz CIRSFTSNFGQIBU-GFCCVEGCSA-N -1 1 344.415 2.149 20 0 EEADMM CC(C)CC(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001020677952 675395807 /nfs/dbraw/zinc/39/58/07/675395807.db2.gz VJVRUOZMVUJZEN-KBPBESRZSA-N -1 1 333.432 2.048 20 0 EEADMM C[C@@H]1CN(C(=O)C2(C)CCC2)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001020784045 675494315 /nfs/dbraw/zinc/49/43/15/675494315.db2.gz KYHCATZZAISOFL-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(CC1CCCC1)N1CC[C@H]2CN(C(=O)c3ncccc3[O-])C[C@H]21 ZINC001020986491 675633362 /nfs/dbraw/zinc/63/33/62/675633362.db2.gz XFYDXIUADWDERE-LSDHHAIUSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cccc2c1O[C@@H](C(=O)Nc1nc3c(c(=O)[n-]1)CCCC3)C2 ZINC000891613414 676722841 /nfs/dbraw/zinc/72/28/41/676722841.db2.gz GJWQOCNCCRDEEB-CQSZACIVSA-N -1 1 325.368 2.312 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1nc[nH]c1Br)C1CCCCC1 ZINC000866862672 677925872 /nfs/dbraw/zinc/92/58/72/677925872.db2.gz BAPMLGZSSDWWKS-MRVPVSSYSA-N -1 1 336.255 2.419 20 0 EEADMM Cc1nocc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000892324994 678809313 /nfs/dbraw/zinc/80/93/13/678809313.db2.gz UKQPYENQAMGTBE-UHFFFAOYSA-N -1 1 330.369 2.261 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cnc3ccccc3c2)co1 ZINC000179401511 679827690 /nfs/dbraw/zinc/82/76/90/679827690.db2.gz YBMDFIAEVKNWNU-UHFFFAOYSA-N -1 1 346.364 2.093 20 0 EEADMM CN(C(=O)C1CCCCCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212377 681688174 /nfs/dbraw/zinc/68/81/74/681688174.db2.gz VKLUZUAKEZJJMF-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)C1CCCCC1)c1cc(F)ccc1F ZINC000066577683 681695972 /nfs/dbraw/zinc/69/59/72/681695972.db2.gz XNOLJHFOKPVNQH-CQSZACIVSA-N -1 1 347.383 2.431 20 0 EEADMM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000937217858 681719043 /nfs/dbraw/zinc/71/90/43/681719043.db2.gz YJDQZBUUTJLCBV-ZFWWWQNUSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000937217855 681719314 /nfs/dbraw/zinc/71/93/14/681719314.db2.gz YJDQZBUUTJLCBV-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM CC1(C)CC[C@H](C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000982674675 682003026 /nfs/dbraw/zinc/00/30/26/682003026.db2.gz XHYDNVMCERLQJA-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(N[C@H]1C[C@H](NC(=O)C2(C3CCC3)CCC2)C1)c1ncccc1[O-] ZINC000973198827 682295995 /nfs/dbraw/zinc/29/59/95/682295995.db2.gz JPTSIHGOUUXRRK-HDJSIYSDSA-N -1 1 343.427 2.135 20 0 EEADMM CCCC(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973679520 682896145 /nfs/dbraw/zinc/89/61/45/682896145.db2.gz FLAUKQVAHGZJJH-ZIAGYGMSSA-N -1 1 331.416 2.040 20 0 EEADMM Cc1ccccc1-n1ncc(C(=O)N(C)c2nn[n-]n2)c1C(C)C ZINC000892954081 683320781 /nfs/dbraw/zinc/32/07/81/683320781.db2.gz CGAYEJZOYIOCOH-UHFFFAOYSA-N -1 1 325.376 2.094 20 0 EEADMM CC[C@H](CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1)Oc1ccccc1C ZINC000909415951 683353473 /nfs/dbraw/zinc/35/34/73/683353473.db2.gz SJMWNENSRUOJBT-HZPDHXFCSA-N -1 1 348.443 2.065 20 0 EEADMM C/C(=C/C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059249372 683653589 /nfs/dbraw/zinc/65/35/89/683653589.db2.gz OJNYTWLIACWGFX-YBEMTRGBSA-N -1 1 343.427 2.112 20 0 EEADMM CCCC[C@H]([N-]S(=O)(=O)C[C@@H](OC)c1ccccc1)C(=O)OC ZINC000295191498 683858709 /nfs/dbraw/zinc/85/87/09/683858709.db2.gz TWQXRWMMHKZMRX-LSDHHAIUSA-N -1 1 343.445 2.025 20 0 EEADMM CN(C(=O)C[C@H]1C=CCC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984104659 684107512 /nfs/dbraw/zinc/10/75/12/684107512.db2.gz JURRXMMGRYNELC-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984112157 684114231 /nfs/dbraw/zinc/11/42/31/684114231.db2.gz GHDDZXHQLJDXGQ-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C1=CCCCCC1 ZINC000974057719 684271208 /nfs/dbraw/zinc/27/12/08/684271208.db2.gz RFVWLBSPZBNYJD-OKILXGFUSA-N -1 1 329.400 2.055 20 0 EEADMM O=C(C[C@H]1C=CCCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978740036 693863078 /nfs/dbraw/zinc/86/30/78/693863078.db2.gz MSERQJUNCXAKAU-SOUVJXGZSA-N -1 1 343.427 2.158 20 0 EEADMM Cn1cc([C@H]2C[S@](=O)CCN2Cc2cccc([O-])c2Cl)cn1 ZINC000895380840 684565262 /nfs/dbraw/zinc/56/52/62/684565262.db2.gz QHDODKFCYSIRNY-MCMMXHMISA-N -1 1 339.848 2.085 20 0 EEADMM CCC1(C(=O)N2CCC[C@H](N(C)C(=O)c3ncccc3[O-])C2)CC1 ZINC000984622200 684889750 /nfs/dbraw/zinc/88/97/50/684889750.db2.gz JCAGKQNYRVLEIC-ZDUSSCGKSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@H](C(=O)N1C[C@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]21)C(C)(C)C ZINC000974468131 684957742 /nfs/dbraw/zinc/95/77/42/684957742.db2.gz YEOTXLFFMLHGTK-MGPQQGTHSA-N -1 1 345.443 2.142 20 0 EEADMM Cc1cc(CN2C[C@H](NC(=O)c3ncccc3[O-])C(C)(C)C2)sn1 ZINC000974487861 684981088 /nfs/dbraw/zinc/98/10/88/684981088.db2.gz IAZLQJAQDVSFFS-AWEZNQCLSA-N -1 1 346.456 2.193 20 0 EEADMM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000899981692 693949404 /nfs/dbraw/zinc/94/94/04/693949404.db2.gz WJULKGFHGDTKPP-UHFFFAOYSA-N -1 1 338.367 2.439 20 0 EEADMM CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514415 686260856 /nfs/dbraw/zinc/26/08/56/686260856.db2.gz CGVSUDJSIJLLIS-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM O=C(C[C@@H]1C=CCC1)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059515429 686271117 /nfs/dbraw/zinc/27/11/17/686271117.db2.gz YNJJLTGQSKVWTI-HUUCEWRRSA-N -1 1 343.427 2.112 20 0 EEADMM CCOc1ccc(CN(C)CC(=O)N[N-]C(=O)c2cccs2)cc1 ZINC000066864040 686585279 /nfs/dbraw/zinc/58/52/79/686585279.db2.gz VMWQPDANJUIPTR-UHFFFAOYSA-N -1 1 347.440 2.040 20 0 EEADMM O=C(NC[C@@H]1CCCCN1c1cccc(F)n1)c1ncccc1[O-] ZINC001060137070 694120635 /nfs/dbraw/zinc/12/06/35/694120635.db2.gz BDMVNWGVOKOQNF-LBPRGKRZSA-N -1 1 330.363 2.110 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CCC2)c1ncccc1[O-] ZINC000976572098 687850595 /nfs/dbraw/zinc/85/05/95/687850595.db2.gz RVJJBRCSAZTQAO-MGPQQGTHSA-N -1 1 343.427 2.135 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC000987004618 689212360 /nfs/dbraw/zinc/21/23/60/689212360.db2.gz VTRDQMBFWIIIMB-RBSFLKMASA-N -1 1 345.443 2.334 20 0 EEADMM Cc1c([C@H](NCc2ccc(OC(F)F)c(F)c2)C(=O)[O-])cnn1C ZINC000904047205 694281944 /nfs/dbraw/zinc/28/19/44/694281944.db2.gz CCOZXCXFCXVVRS-ZDUSSCGKSA-N -1 1 343.305 2.385 20 0 EEADMM CCOc1cc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)ccc1OC ZINC000904047804 694282678 /nfs/dbraw/zinc/28/26/78/694282678.db2.gz JVEYADCUWJPKCA-MRXNPFEDSA-N -1 1 333.388 2.051 20 0 EEADMM C[C@H](N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2)c1nnc2n1CCCCC2 ZINC000904207514 694321864 /nfs/dbraw/zinc/32/18/64/694321864.db2.gz QMYNXEALBCAWBJ-YNEHKIRRSA-N -1 1 333.436 2.234 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCN1C(=O)c1ncccc1[O-] ZINC000987815106 690072074 /nfs/dbraw/zinc/07/20/74/690072074.db2.gz BCSWCKUMGBCQLP-KOLCDFICSA-N -1 1 349.387 2.021 20 0 EEADMM Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)on1 ZINC000042263752 690843004 /nfs/dbraw/zinc/84/30/04/690843004.db2.gz MNFRUCUADAUGEM-UHFFFAOYSA-N -1 1 342.373 2.010 20 0 EEADMM C[C@H](CN1CCOCC1)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897600419 691669768 /nfs/dbraw/zinc/66/97/68/691669768.db2.gz GSADGUXKHBRNLC-CYBMUJFWSA-N -1 1 344.411 2.044 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ccc(Cl)o1)C(=O)c1ncccc1[O-] ZINC000977623733 692859569 /nfs/dbraw/zinc/85/95/69/692859569.db2.gz ZMDPMVVREXLXGL-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM Cc1ccccc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000979415240 694560812 /nfs/dbraw/zinc/56/08/12/694560812.db2.gz SSEGZUNITCVQST-HDJSIYSDSA-N -1 1 339.395 2.034 20 0 EEADMM Cc1cccc(CO[N-]C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 ZINC000898935903 693535616 /nfs/dbraw/zinc/53/56/16/693535616.db2.gz JHWBYAOBDFIZFR-CQSZACIVSA-N -1 1 331.416 2.119 20 0 EEADMM O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)CC1)c1ncccc1[O-] ZINC000943621667 1192422046 /nfs/dbraw/zinc/42/20/46/1192422046.db2.gz LWHMKEVGJWPUNV-RBSFLKMASA-N -1 1 343.427 2.301 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1nn(-c2cccc(F)c2F)c2c1CCC2 ZINC001648815669 1176705568 /nfs/dbraw/zinc/70/55/68/1176705568.db2.gz APYPEJTZKBLKLC-UHFFFAOYSA-N -1 1 345.309 2.320 20 0 EEADMM Cc1ccc(-c2cc(C(=O)[N-]NC(=O)[C@@H](C)n3cccc3)n[nH]2)cc1 ZINC000129552882 1177933221 /nfs/dbraw/zinc/93/32/21/1177933221.db2.gz RTMCGFMYJAZFBS-CYBMUJFWSA-N -1 1 337.383 2.209 20 0 EEADMM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)NC)c1 ZINC001771690614 1178220689 /nfs/dbraw/zinc/22/06/89/1178220689.db2.gz YFSPVENSSZUYOK-UHFFFAOYSA-N -1 1 348.424 2.175 20 0 EEADMM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000393657174 1179172640 /nfs/dbraw/zinc/17/26/40/1179172640.db2.gz OILGYPLRYFPYAE-UHFFFAOYSA-N -1 1 345.211 2.077 20 0 EEADMM CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cn1 ZINC001269354684 1184201253 /nfs/dbraw/zinc/20/12/53/1184201253.db2.gz RCWSRRQDXRPRGE-SCLBCKFNSA-N -1 1 331.416 2.183 20 0 EEADMM NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2 ZINC001269508354 1184331184 /nfs/dbraw/zinc/33/11/84/1184331184.db2.gz BBGYPSZGJPIIED-PXAZEXFGSA-N -1 1 336.819 2.092 20 0 EEADMM O=C(NCC(F)F)[C@@]12C[C@@H]1CCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001269574107 1184403407 /nfs/dbraw/zinc/40/34/07/1184403407.db2.gz MJPFTCJDEJKKSC-VXJOIVPMSA-N -1 1 344.745 2.032 20 0 EEADMM C[C@@H](CNCc1n[nH]c(=O)[n-]1)N(C)C(=O)CC1CCC(C)(C)CC1 ZINC001482372202 1185538166 /nfs/dbraw/zinc/53/81/66/1185538166.db2.gz HNVPNAZMCSXQFL-LBPRGKRZSA-N -1 1 337.468 2.053 20 0 EEADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-])c1cccs1 ZINC000995671154 1193388980 /nfs/dbraw/zinc/38/89/80/1193388980.db2.gz NDPRFEOCXAMXKL-WOPDTQHZSA-N -1 1 343.408 2.024 20 0 EEADMM O=C(COC1CCCCC1)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345476114 1186039853 /nfs/dbraw/zinc/03/98/53/1186039853.db2.gz XPANJLSMSYYUHB-UHFFFAOYSA-N -1 1 331.376 2.067 20 0 EEADMM C[C@@H](CCNC(=O)c1ncccc1[O-])NC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC001076244962 1188807165 /nfs/dbraw/zinc/80/71/65/1188807165.db2.gz IBROLPIQBZVPAU-IHRRRGAJSA-N -1 1 333.432 2.238 20 0 EEADMM COc1ccnc(C[N@H+](C)C[C@@H](C)NC(=O)c2ccccc2O)c1 ZINC001483311467 1190324374 /nfs/dbraw/zinc/32/43/74/1190324374.db2.gz MFIKDFKVMZASBH-CYBMUJFWSA-N -1 1 329.400 2.046 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)CC1(C)CC1 ZINC001409858881 1190705603 /nfs/dbraw/zinc/70/56/03/1190705603.db2.gz YGSARIDETMSGPJ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C(C)(C)C1CC1 ZINC001005165621 1194658015 /nfs/dbraw/zinc/65/80/15/1194658015.db2.gz SCCSKSWFRBLASI-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2)CCCN1C(=O)c1ncccc1[O-] ZINC001014720636 1224231272 /nfs/dbraw/zinc/23/12/72/1224231272.db2.gz YRDDUNFOWGMABQ-HIFRSBDPSA-N -1 1 339.395 2.210 20 0 EEADMM O=C(C=C1CCC1)N1CCCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001005406306 1195386507 /nfs/dbraw/zinc/38/65/07/1195386507.db2.gz PHHLXOFBOJNQFI-OAHLLOKOSA-N -1 1 343.427 2.399 20 0 EEADMM CCc1ccccc1C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001409987382 1196190220 /nfs/dbraw/zinc/19/02/20/1196190220.db2.gz XGUKJLNRTJFMGO-UHFFFAOYSA-N -1 1 341.411 2.194 20 0 EEADMM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3ncccc3[O-])CC[C@@H]2C)o1 ZINC001018100485 1224335820 /nfs/dbraw/zinc/33/58/20/1224335820.db2.gz PSIAYHSWBMVEKO-WCQYABFASA-N -1 1 343.383 2.112 20 0 EEADMM C[C@H]1[C@@H](NC(=O)CC2CCC2)CCCN1C(=O)c1ncccc1[O-] ZINC001014850288 1224441458 /nfs/dbraw/zinc/44/14/58/1224441458.db2.gz YCIONODGAUQVAG-JSGCOSHPSA-N -1 1 331.416 2.087 20 0 EEADMM CC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1(CC)CC1 ZINC001410534282 1198092707 /nfs/dbraw/zinc/09/27/07/1198092707.db2.gz DRVKHEQVZDEPEK-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)C2(C3CC3)CC2)CN1C(=O)c1ncccc1[O-] ZINC001018217287 1224482754 /nfs/dbraw/zinc/48/27/54/1224482754.db2.gz XEBGSPJHPODWTK-TZMCWYRMSA-N -1 1 343.427 2.087 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])[C@@H]1C ZINC001014891900 1224502976 /nfs/dbraw/zinc/50/29/76/1224502976.db2.gz FFCBFBXFSGYTQB-NWDGAFQWSA-N -1 1 335.379 2.160 20 0 EEADMM CC(C)[C@@H](C)C(=O)N1CCC[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001411118989 1198818437 /nfs/dbraw/zinc/81/84/37/1198818437.db2.gz SHGCRGSSKYFEIV-AUUYWEPGSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1sccc1C(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1C ZINC001011677222 1224507487 /nfs/dbraw/zinc/50/74/87/1224507487.db2.gz IFBAPSUTOSMDTE-GWCFXTLKSA-N -1 1 345.424 2.190 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)c1ccccc1 ZINC001014895601 1224508754 /nfs/dbraw/zinc/50/87/54/1224508754.db2.gz UMVZVEUSHJEGGT-HIFRSBDPSA-N -1 1 339.395 2.210 20 0 EEADMM COc1ccc(OC)c([C@H](O)[C@@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC000874770120 1198996960 /nfs/dbraw/zinc/99/69/60/1198996960.db2.gz OHXRITNRLUWEKX-BMLIUANNSA-N -1 1 349.358 2.400 20 0 EEADMM Cn1nnc(Br)c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000810307958 1199441165 /nfs/dbraw/zinc/44/11/65/1199441165.db2.gz OCFSVVNULRYCHI-UHFFFAOYSA-N -1 1 340.112 2.139 20 0 EEADMM Cc1ncc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cn1 ZINC000877705640 1200043294 /nfs/dbraw/zinc/04/32/94/1200043294.db2.gz NAVHPPFAKPYKFI-UHFFFAOYSA-N -1 1 332.835 2.462 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000869827373 1200306797 /nfs/dbraw/zinc/30/67/97/1200306797.db2.gz FIVZMYMWXCAPFI-YUTCNCBUSA-N -1 1 347.459 2.410 20 0 EEADMM C[C@]1(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCOC1 ZINC000870163202 1200527560 /nfs/dbraw/zinc/52/75/60/1200527560.db2.gz ZEQVVLMWUDSXIA-KRWDZBQOSA-N -1 1 338.835 2.116 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCCCO1)c1cc(Cl)cnc1Cl ZINC000866601773 1201558199 /nfs/dbraw/zinc/55/81/99/1201558199.db2.gz TXNCHLUEELHGPG-SECBINFHSA-N -1 1 325.217 2.236 20 0 EEADMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866800287 1201608962 /nfs/dbraw/zinc/60/89/62/1201608962.db2.gz ZUBJDNZTJQYVBN-LJQANCHMSA-N -1 1 329.390 2.043 20 0 EEADMM O=S(=O)(Oc1cccc2ccc(N3CCCC3)nc21)c1c[n-]cn1 ZINC000121835170 1201680183 /nfs/dbraw/zinc/68/01/83/1201680183.db2.gz BIRZIKKCFNTXST-UHFFFAOYSA-N -1 1 344.396 2.326 20 0 EEADMM O=C(c1ccc(I)cc1[O-])N1CC[C@H](CF)C1 ZINC000881678671 1201736529 /nfs/dbraw/zinc/73/65/29/1201736529.db2.gz DVUADIJWFKYYJD-MRVPVSSYSA-N -1 1 349.143 2.428 20 0 EEADMM CC1(C)CC(CNC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1 ZINC000868526795 1201827518 /nfs/dbraw/zinc/82/75/18/1201827518.db2.gz QWZPCDYQGRRWMK-AWEZNQCLSA-N -1 1 335.370 2.275 20 0 EEADMM Cn1cc([C@@]2(CNC(=O)Cc3ccc([O-])c(Cl)c3)CCCO2)cn1 ZINC000890140781 1204791531 /nfs/dbraw/zinc/79/15/31/1204791531.db2.gz GQZFSDIOFUNFEZ-KRWDZBQOSA-N -1 1 349.818 2.144 20 0 EEADMM Cc1cc(=O)n2[n-]c(NC(=O)CCc3ccc(Cl)c(F)c3)nc2n1 ZINC001274694419 1205134153 /nfs/dbraw/zinc/13/41/53/1205134153.db2.gz ZWYFRYIRJYNCGX-UHFFFAOYSA-N -1 1 349.753 2.090 20 0 EEADMM NC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@H]1c1ccccc1 ZINC001275407322 1205344145 /nfs/dbraw/zinc/34/41/45/1205344145.db2.gz DCEZTRUDFVSVLS-CJNGLKHVSA-N -1 1 328.343 2.220 20 0 EEADMM CC(C)(C)NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cncc([O-])c1)C2 ZINC001275620746 1205449401 /nfs/dbraw/zinc/44/94/01/1205449401.db2.gz LEDWJJVIHGDDLV-DNVCBOLYSA-N -1 1 345.443 2.334 20 0 EEADMM Cn1cc(Br)cc(NC(=O)c2cccc([O-])c2F)c1=O ZINC001411844428 1205551349 /nfs/dbraw/zinc/55/13/49/1205551349.db2.gz BENNXJJVCFXCRG-UHFFFAOYSA-N -1 1 341.136 2.245 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c(=O)[n-]1 ZINC001411854813 1205556697 /nfs/dbraw/zinc/55/66/97/1205556697.db2.gz ZIILJTKTELOWGU-CMPLNLGQSA-N -1 1 325.434 2.085 20 0 EEADMM CSc1ncc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)c(=O)[n-]1 ZINC001411854820 1205556713 /nfs/dbraw/zinc/55/67/13/1205556713.db2.gz ZIILJTKTELOWGU-JQWIXIFHSA-N -1 1 325.434 2.085 20 0 EEADMM O=C(c1cccc([S-])c1)N1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275912759 1205582047 /nfs/dbraw/zinc/58/20/47/1205582047.db2.gz XRCLELIPWKVNFD-HOTGVXAUSA-N -1 1 328.441 2.187 20 0 EEADMM CC(C)NC(=O)N1CC2(C1)CCCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC001275917959 1205585590 /nfs/dbraw/zinc/58/55/90/1205585590.db2.gz NSYYNUVLNMWAAL-UHFFFAOYSA-N -1 1 349.406 2.187 20 0 EEADMM O=C(c1cccc([S-])c1)N1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001275915973 1205586137 /nfs/dbraw/zinc/58/61/37/1205586137.db2.gz FTTGAIJVPZNBQY-IYBDPMFKSA-N -1 1 342.468 2.161 20 0 EEADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001275936915 1205595362 /nfs/dbraw/zinc/59/53/62/1205595362.db2.gz FWGCOPJGYJOLNT-APPDUMDISA-N -1 1 332.787 2.049 20 0 EEADMM CCN(C(=O)C12CC(NC(=O)c3cccc([O-])c3F)(C1)C2)C(C)C ZINC001275985207 1205619079 /nfs/dbraw/zinc/61/90/79/1205619079.db2.gz YNANWABBPMXQSW-UHFFFAOYSA-N -1 1 334.391 2.441 20 0 EEADMM C[C@H]1CC(C)(C)c2cccc(NC(=O)CCn3cc[n-]c(=O)c3=O)c21 ZINC000928584764 1206401779 /nfs/dbraw/zinc/40/17/79/1206401779.db2.gz FBSDZYHLROSARA-LBPRGKRZSA-N -1 1 341.411 2.350 20 0 EEADMM O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000928617760 1206403422 /nfs/dbraw/zinc/40/34/22/1206403422.db2.gz HZZHWUPPAHSIGV-CQSZACIVSA-N -1 1 325.397 2.294 20 0 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ZINC000963911928 1218121669 /nfs/dbraw/zinc/12/16/69/1218121669.db2.gz AOASBXSDPTYZEQ-JOCQHMNTSA-N -1 1 343.383 2.099 20 0 EEADMM O=C(N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1)[C@@H]1CC12CCC2 ZINC000964902106 1218714465 /nfs/dbraw/zinc/71/44/65/1218714465.db2.gz XXFKNDCATSTJGT-KGLIPLIRSA-N -1 1 343.427 2.088 20 0 EEADMM Cc1cc(CN2CC[C@@H](C)[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)cs1 ZINC000965915931 1219354685 /nfs/dbraw/zinc/35/46/85/1219354685.db2.gz FNERBECMAKIEKX-YGRLFVJLSA-N -1 1 348.472 2.434 20 0 EEADMM Cc1nc(CN2CC[C@H](C)[C@H](NC(=O)c3ncccc3[O-])C2)cs1 ZINC000965941523 1219383457 /nfs/dbraw/zinc/38/34/57/1219383457.db2.gz RPZBLUCAVXLHJW-SMDDNHRTSA-N -1 1 346.456 2.193 20 0 EEADMM CC(C)CC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000967010314 1220195923 /nfs/dbraw/zinc/19/59/23/1220195923.db2.gz LMYAHVDPHOHAII-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)c2ncccc2[O-])C1 ZINC001013896372 1225973707 /nfs/dbraw/zinc/97/37/07/1225973707.db2.gz 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WSOMXTXIINKPRQ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccc(-n2cccn2)cc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001605805500 1351225764 /nfs/dbraw/zinc/22/57/64/1351225764.db2.gz WSOMXTXIINKPRQ-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM CN(CCC(=O)Nc1cccc2ccccc21)Cc1n[n-]c(=O)o1 ZINC001307864672 1331552019 /nfs/dbraw/zinc/55/20/19/1331552019.db2.gz DXUOSPMVUOKFAJ-UHFFFAOYSA-N -1 1 326.356 2.389 20 0 EEADMM COc1nscc1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC001309105881 1331617622 /nfs/dbraw/zinc/61/76/22/1331617622.db2.gz FLDZEZALPWMVJE-UHFFFAOYSA-N -1 1 346.405 2.038 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)c2cncc3nc[nH]c32)cc1 ZINC001608731204 1351750970 /nfs/dbraw/zinc/75/09/70/1351750970.db2.gz FCJLDKQYVLPBJC-UHFFFAOYSA-N -1 1 326.312 2.064 20 0 EEADMM O=C([O-])[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC001608820147 1351771292 /nfs/dbraw/zinc/77/12/92/1351771292.db2.gz GMENPFRWGFQZFZ-ULQDDVLXSA-N -1 1 330.428 2.268 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3cncn3c2C)cc1C ZINC001320002763 1332809159 /nfs/dbraw/zinc/80/91/59/1332809159.db2.gz UDIJLWCIKAMGHD-UHFFFAOYSA-N -1 1 343.408 2.378 20 0 EEADMM COCCn1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1=O ZINC001320725012 1332941329 /nfs/dbraw/zinc/94/13/29/1332941329.db2.gz FTNYVYGLUUOFNO-UHFFFAOYSA-N -1 1 337.763 2.498 20 0 EEADMM BrC1=CCCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001609018074 1351815490 /nfs/dbraw/zinc/81/54/90/1351815490.db2.gz YJCZWMDWYIHYSR-UHFFFAOYSA-N -1 1 326.223 2.413 20 0 EEADMM Cc1nc2ccc(C(=O)OCC(=O)c3ccc([O-])cc3O)cc2n1C ZINC001322485476 1333270605 /nfs/dbraw/zinc/27/06/05/1333270605.db2.gz RMUOUKQALVHADS-UHFFFAOYSA-N -1 1 340.335 2.333 20 0 EEADMM CC(C)C[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001609093538 1351839694 /nfs/dbraw/zinc/83/96/94/1351839694.db2.gz GYNKEHIJMGNSHO-NEPJUHHUSA-N -1 1 347.394 2.329 20 0 EEADMM CC(C)C[C@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001609093538 1351839698 /nfs/dbraw/zinc/83/96/98/1351839698.db2.gz GYNKEHIJMGNSHO-NEPJUHHUSA-N -1 1 347.394 2.329 20 0 EEADMM CC(C)C[C@H]1C[C@H](NC(=O)c2csc(-c3nn[n-]n3)c2)CCO1 ZINC001609093918 1351839759 /nfs/dbraw/zinc/83/97/59/1351839759.db2.gz WKPFSWZCGMMVED-NEPJUHHUSA-N -1 1 335.433 2.252 20 0 EEADMM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609110464 1351847525 /nfs/dbraw/zinc/84/75/25/1351847525.db2.gz PKVLRNRDXKUGAG-SCZZXKLOSA-N -1 1 349.441 2.232 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCc1ccc(CO)cc1 ZINC001201769061 1368842052 /nfs/dbraw/zinc/84/20/52/1368842052.db2.gz NCQBWSZGCIDZSH-UHFFFAOYSA-N -1 1 346.861 2.118 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]CCC1CCC(O)CC1 ZINC001201768385 1368842248 /nfs/dbraw/zinc/84/22/48/1368842248.db2.gz ZDPUROAJPGPARR-UHFFFAOYSA-N -1 1 338.882 2.324 20 0 EEADMM C[C@@]12CCN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]1C2(F)F ZINC001609152001 1351864463 /nfs/dbraw/zinc/86/44/63/1351864463.db2.gz SFLGVIRNZKOTDD-XUOSJQGZSA-N -1 1 332.767 2.458 20 0 EEADMM C[C@@]12CCN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]1C2(F)F ZINC001609152001 1351864464 /nfs/dbraw/zinc/86/44/64/1351864464.db2.gz SFLGVIRNZKOTDD-XUOSJQGZSA-N -1 1 332.767 2.458 20 0 EEADMM C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)c2nccn21 ZINC001609156953 1351866823 /nfs/dbraw/zinc/86/68/23/1351866823.db2.gz GGAFPQVKWLRNBN-SKDRFNHKSA-N -1 1 333.359 2.124 20 0 EEADMM C[C@@H]1C[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)c2nccn21 ZINC001609156953 1351866827 /nfs/dbraw/zinc/86/68/27/1351866827.db2.gz GGAFPQVKWLRNBN-SKDRFNHKSA-N -1 1 333.359 2.124 20 0 EEADMM CC[C@@H](CNc1ccc(C)c(-c2nnn[n-]2)n1)NC(=O)OC(C)(C)C ZINC001609190493 1351883746 /nfs/dbraw/zinc/88/37/46/1351883746.db2.gz MEILSBAQLPTJIG-NSHDSACASA-N -1 1 347.423 2.285 20 0 EEADMM CC[C@@H](CNc1ccc(C)c(-c2nn[n-]n2)n1)NC(=O)OC(C)(C)C ZINC001609190493 1351883750 /nfs/dbraw/zinc/88/37/50/1351883750.db2.gz MEILSBAQLPTJIG-NSHDSACASA-N -1 1 347.423 2.285 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609224296 1351900786 /nfs/dbraw/zinc/90/07/86/1351900786.db2.gz RGQGJWUOIAOSNV-UHFFFAOYSA-N -1 1 329.286 2.068 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609224296 1351900789 /nfs/dbraw/zinc/90/07/89/1351900789.db2.gz RGQGJWUOIAOSNV-UHFFFAOYSA-N -1 1 329.286 2.068 20 0 EEADMM CCO[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001609237014 1351903879 /nfs/dbraw/zinc/90/38/79/1351903879.db2.gz QANHFXNLIZJWTK-LBPRGKRZSA-N -1 1 343.412 2.436 20 0 EEADMM CCO[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001609237014 1351903881 /nfs/dbraw/zinc/90/38/81/1351903881.db2.gz QANHFXNLIZJWTK-LBPRGKRZSA-N -1 1 343.412 2.436 20 0 EEADMM CCOC1(C)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC001609237459 1351903885 /nfs/dbraw/zinc/90/38/85/1351903885.db2.gz JKKPMLLBTGNTDC-UHFFFAOYSA-N -1 1 339.403 2.205 20 0 EEADMM CCOC1(C)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC001609237459 1351903887 /nfs/dbraw/zinc/90/38/87/1351903887.db2.gz JKKPMLLBTGNTDC-UHFFFAOYSA-N -1 1 339.403 2.205 20 0 EEADMM CCOCCC1(C(=O)Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001609240172 1351905983 /nfs/dbraw/zinc/90/59/83/1351905983.db2.gz OTJPQFFAROAIPV-UHFFFAOYSA-N -1 1 336.421 2.167 20 0 EEADMM CCOCCC1(C(=O)Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001609240172 1351905984 /nfs/dbraw/zinc/90/59/84/1351905984.db2.gz OTJPQFFAROAIPV-UHFFFAOYSA-N -1 1 336.421 2.167 20 0 EEADMM CO[C@@]1(C(F)(F)F)CCCN(c2cc(C)nc(-c3nnn[n-]3)c2)C1 ZINC001609310064 1351927597 /nfs/dbraw/zinc/92/75/97/1351927597.db2.gz CQDUZUXOLUHNAB-ZDUSSCGKSA-N -1 1 342.325 2.118 20 0 EEADMM CO[C@@]1(C(F)(F)F)CCCN(c2cc(C)nc(-c3nn[n-]n3)c2)C1 ZINC001609310064 1351927600 /nfs/dbraw/zinc/92/76/00/1351927600.db2.gz CQDUZUXOLUHNAB-ZDUSSCGKSA-N -1 1 342.325 2.118 20 0 EEADMM COc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1Cl ZINC001609357988 1351946019 /nfs/dbraw/zinc/94/60/19/1351946019.db2.gz QELDZCNYPYGLJZ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1Cl ZINC001609357988 1351946024 /nfs/dbraw/zinc/94/60/24/1351946024.db2.gz QELDZCNYPYGLJZ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1NC(N)=O ZINC001609357872 1351945953 /nfs/dbraw/zinc/94/59/53/1351945953.db2.gz HFDHNUDUZQJNMR-UHFFFAOYSA-N -1 1 345.388 2.040 20 0 EEADMM COc1ccsc1C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001609364942 1351948089 /nfs/dbraw/zinc/94/80/89/1351948089.db2.gz WPLKUEMGHORHIV-VOTSOKGWSA-N -1 1 330.373 2.301 20 0 EEADMM COc1ccccc1OCCCNc1ccnc(-c2nnn[n-]2)c1 ZINC001609364507 1351948414 /nfs/dbraw/zinc/94/84/14/1351948414.db2.gz SVTXXKVHTZFMLZ-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM COc1ccccc1OCCCNc1ccnc(-c2nn[n-]n2)c1 ZINC001609364507 1351948416 /nfs/dbraw/zinc/94/84/16/1351948416.db2.gz SVTXXKVHTZFMLZ-UHFFFAOYSA-N -1 1 326.360 2.151 20 0 EEADMM CSc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001609373066 1351951018 /nfs/dbraw/zinc/95/10/18/1351951018.db2.gz UFSMFLWHSYWQEC-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CSc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001609373066 1351951021 /nfs/dbraw/zinc/95/10/21/1351951021.db2.gz UFSMFLWHSYWQEC-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM Cc1c(NC(=O)c2ccnc(-c3nnn[n-]3)c2)cnn1C1CCCC1 ZINC001609385481 1351954986 /nfs/dbraw/zinc/95/49/86/1351954986.db2.gz SJHVVRZQKBIXNM-UHFFFAOYSA-N -1 1 338.375 2.134 20 0 EEADMM Cc1c(NC(=O)c2ccnc(-c3nn[n-]n3)c2)cnn1C1CCCC1 ZINC001609385481 1351954989 /nfs/dbraw/zinc/95/49/89/1351954989.db2.gz SJHVVRZQKBIXNM-UHFFFAOYSA-N -1 1 338.375 2.134 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccc(F)c(F)c2F)n1 ZINC001609392685 1351957950 /nfs/dbraw/zinc/95/79/50/1351957950.db2.gz ZSBVWLIQWGEZSS-UHFFFAOYSA-N -1 1 335.293 2.037 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccc(F)c(F)c2F)n1 ZINC001609392685 1351957951 /nfs/dbraw/zinc/95/79/51/1351957951.db2.gz ZSBVWLIQWGEZSS-UHFFFAOYSA-N -1 1 335.293 2.037 20 0 EEADMM Cc1cccc(OCCCNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001609433460 1351974441 /nfs/dbraw/zinc/97/44/41/1351974441.db2.gz GFJUGIODJADKQV-UHFFFAOYSA-N -1 1 343.412 2.436 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001609467782 1351988796 /nfs/dbraw/zinc/98/87/96/1351988796.db2.gz SSQFFWLMLDMFIP-LDYMZIIASA-N -1 1 327.344 2.415 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001609467782 1351988798 /nfs/dbraw/zinc/98/87/98/1351988798.db2.gz SSQFFWLMLDMFIP-LDYMZIIASA-N -1 1 327.344 2.415 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)CC2CCCCC2)c1-c1nnn[n-]1 ZINC001609471462 1351990325 /nfs/dbraw/zinc/99/03/25/1351990325.db2.gz ZYFKSSARVBEEBN-SNVBAGLBSA-N -1 1 332.408 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C)CC2CCCCC2)c1-c1nn[n-]n1 ZINC001609471462 1351990328 /nfs/dbraw/zinc/99/03/28/1351990328.db2.gz ZYFKSSARVBEEBN-SNVBAGLBSA-N -1 1 332.408 2.181 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC001609490212 1351996360 /nfs/dbraw/zinc/99/63/60/1351996360.db2.gz ILWTVWPGLDWKHJ-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc([C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC001609490212 1351996363 /nfs/dbraw/zinc/99/63/63/1351996363.db2.gz ILWTVWPGLDWKHJ-OCCSQVGLSA-N -1 1 341.350 2.128 20 0 EEADMM Fc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1Br ZINC001609490569 1351996914 /nfs/dbraw/zinc/99/69/14/1351996914.db2.gz FQPAJXUMRBHZGS-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM Fc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1Br ZINC001609490569 1351996919 /nfs/dbraw/zinc/99/69/19/1351996919.db2.gz FQPAJXUMRBHZGS-UHFFFAOYSA-N -1 1 338.144 2.104 20 0 EEADMM FC1(F)Oc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc2O1 ZINC001609486346 1351994384 /nfs/dbraw/zinc/99/43/84/1351994384.db2.gz LQTKLZBDIGIJGH-UHFFFAOYSA-N -1 1 338.299 2.257 20 0 EEADMM FC1(F)Oc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc2O1 ZINC001609486346 1351994386 /nfs/dbraw/zinc/99/43/86/1351994386.db2.gz LQTKLZBDIGIJGH-UHFFFAOYSA-N -1 1 338.299 2.257 20 0 EEADMM O=C(NCCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001609548609 1352012379 /nfs/dbraw/zinc/01/23/79/1352012379.db2.gz OPCHTXTVJHCVMQ-UHFFFAOYSA-N -1 1 343.412 2.265 20 0 EEADMM O=C(NCCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001609548609 1352012381 /nfs/dbraw/zinc/01/23/81/1352012381.db2.gz OPCHTXTVJHCVMQ-UHFFFAOYSA-N -1 1 343.412 2.265 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc(-c2nnn[n-]2)n1 ZINC001609560933 1352016778 /nfs/dbraw/zinc/01/67/78/1352016778.db2.gz UFTZCWWVJYLTPN-ZDUSSCGKSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc(-c2nn[n-]n2)n1 ZINC001609560933 1352016782 /nfs/dbraw/zinc/01/67/82/1352016782.db2.gz UFTZCWWVJYLTPN-ZDUSSCGKSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(Nc1n[nH]c2c1cccc2Cl)c1cccc(-c2nn[n-]n2)n1 ZINC001609568914 1352019257 /nfs/dbraw/zinc/01/92/57/1352019257.db2.gz DNLLMQWYZYDAOE-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)[C@@H]1CCCOC1 ZINC001337450056 1336703315 /nfs/dbraw/zinc/70/33/15/1336703315.db2.gz DSNCCFMERILDKT-DTWKUNHWSA-N -1 1 339.244 2.482 20 0 EEADMM CC1(C)Cc2cccc(CN3CC[C@H](n4cc(C(=O)[O-])nn4)C3)c2O1 ZINC001609820172 1352093387 /nfs/dbraw/zinc/09/33/87/1352093387.db2.gz GHSTVOWGSNBKHH-AWEZNQCLSA-N -1 1 342.399 2.137 20 0 EEADMM CC1CCC(N(C)C(=O)CN[C@](C)(CC(=O)[O-])c2ccncc2)CC1 ZINC001609847338 1352100323 /nfs/dbraw/zinc/10/03/23/1352100323.db2.gz CKUVNCGOSKTAOF-GSQSYGFSSA-N -1 1 347.459 2.398 20 0 EEADMM CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)n[nH]1 ZINC001609909071 1352117373 /nfs/dbraw/zinc/11/73/73/1352117373.db2.gz KVHMMRDIWRZHGT-IUCAKERBSA-N -1 1 332.364 2.294 20 0 EEADMM CCC[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(C)(C)C ZINC001609957342 1352129850 /nfs/dbraw/zinc/12/98/50/1352129850.db2.gz ZBBBUWBZJWNADX-KGLIPLIRSA-N -1 1 327.469 2.392 20 0 EEADMM COCC[C@@H](C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001348536675 1337558962 /nfs/dbraw/zinc/55/89/62/1337558962.db2.gz JXSFIMDCUQJEBO-MRVPVSSYSA-N -1 1 327.233 2.339 20 0 EEADMM CCOC(=O)N(C)C1CCN(Cc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001610019937 1352142797 /nfs/dbraw/zinc/14/27/97/1352142797.db2.gz LTYAZEHFTJPFHW-UHFFFAOYSA-N -1 1 337.420 2.084 20 0 EEADMM Cc1cccc2cc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c(Cl)nc12 ZINC001350225046 1337683651 /nfs/dbraw/zinc/68/36/51/1337683651.db2.gz SVDOVPYMPAPTOU-LLVKDONJSA-N -1 1 342.790 2.339 20 0 EEADMM Cc1nc(-c2ccc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)s2)cs1 ZINC001352587132 1337989467 /nfs/dbraw/zinc/98/94/67/1337989467.db2.gz WXVDRRQKILROFA-VIFPVBQESA-N -1 1 346.441 2.323 20 0 EEADMM COC(=O)c1ccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001610207088 1352185624 /nfs/dbraw/zinc/18/56/24/1352185624.db2.gz OEGNPRHKOGHWDK-UHFFFAOYSA-N -1 1 339.307 2.300 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@H](NCC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])C1 ZINC001610234925 1352191675 /nfs/dbraw/zinc/19/16/75/1352191675.db2.gz MAOMTVAXGOMXJA-KYJSFNMBSA-N -1 1 348.443 2.490 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@H](c2ccncc2)C1 ZINC000848099429 1338506672 /nfs/dbraw/zinc/50/66/72/1338506672.db2.gz QIXLSTWJTCVCJG-LBPRGKRZSA-N -1 1 325.397 2.043 20 0 EEADMM O=C(Nc1ccncc1[O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001610374557 1352212968 /nfs/dbraw/zinc/21/29/68/1352212968.db2.gz ZLFHYAKNJQNCIN-UHFFFAOYSA-N -1 1 345.309 2.319 20 0 EEADMM CCCCO[C@H](C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848341527 1338683703 /nfs/dbraw/zinc/68/37/03/1338683703.db2.gz GBXPIMKVNWBDIZ-IJLUTSLNSA-N -1 1 338.370 2.250 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@H]2C[C@H](C)N(c3ccccc3)C2=O)n1C ZINC001610409176 1352218566 /nfs/dbraw/zinc/21/85/66/1352218566.db2.gz OXYPHVFMUQEBIF-SJCJKPOMSA-N -1 1 341.411 2.315 20 0 EEADMM Cc1ccc(-c2nnc([C@H](C)N3C[C@H](O)C[C@H](C(=O)[O-])C3)o2)cc1C ZINC001610482740 1352230294 /nfs/dbraw/zinc/23/02/94/1352230294.db2.gz NWVRDBHLBBMMDP-AEGPPILISA-N -1 1 345.399 2.182 20 0 EEADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1C1CCCC1 ZINC001610579248 1352248571 /nfs/dbraw/zinc/24/85/71/1352248571.db2.gz OPIBGWIZLBGMGA-UHFFFAOYSA-N -1 1 339.373 2.399 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(C(=O)NC3CCCCC3)CC2)[nH]1 ZINC001610825515 1352281203 /nfs/dbraw/zinc/28/12/03/1352281203.db2.gz CPGCGJIEWQKQPG-UHFFFAOYSA-N -1 1 333.432 2.374 20 0 EEADMM O=C([O-])c1cnoc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001610864195 1352287472 /nfs/dbraw/zinc/28/74/72/1352287472.db2.gz CYPRGKZCNPNGMF-INIZCTEOSA-N -1 1 330.340 2.385 20 0 EEADMM CCCCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001429912224 1340055314 /nfs/dbraw/zinc/05/53/14/1340055314.db2.gz BMHQAEVPAKFECU-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM CC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1ccc(C)c(F)c1 ZINC001433868040 1341708686 /nfs/dbraw/zinc/70/86/86/1341708686.db2.gz MTMUGWISPDSDGH-NSHDSACASA-N -1 1 335.335 2.225 20 0 EEADMM CS(=O)(=O)c1ccccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001434051962 1341753952 /nfs/dbraw/zinc/75/39/52/1341753952.db2.gz WXWYFKDMNWRIFY-UHFFFAOYSA-N -1 1 327.308 2.326 20 0 EEADMM COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(OC)cc1[O-])CC2 ZINC001434413008 1341840992 /nfs/dbraw/zinc/84/09/92/1341840992.db2.gz ONSQWZCBNCWMSF-UHFFFAOYSA-N -1 1 327.336 2.390 20 0 EEADMM Cn1ccc2ccc(NC(=O)N3CCC(c4nn[n-]n4)CC3)cc21 ZINC001676438536 1357150468 /nfs/dbraw/zinc/15/04/68/1357150468.db2.gz XTRBWPBTUAFBLR-UHFFFAOYSA-N -1 1 325.376 2.103 20 0 EEADMM CCCC(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577190537 1344100421 /nfs/dbraw/zinc/10/04/21/1344100421.db2.gz JVQUCPZUCQRVRL-NSHDSACASA-N -1 1 349.464 2.082 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577257708 1344114920 /nfs/dbraw/zinc/11/49/20/1344114920.db2.gz FOIYHBLWOZJRMH-GXSJLCMTSA-N -1 1 349.464 2.081 20 0 EEADMM CCC[C@H](C)CN(C)c1nnc(C)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577300710 1344124973 /nfs/dbraw/zinc/12/49/73/1344124973.db2.gz LNJQFVVRROAENU-NSHDSACASA-N -1 1 344.423 2.280 20 0 EEADMM CCC[C@H](C)CN(C)c1nnc(C)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577300710 1344124979 /nfs/dbraw/zinc/12/49/79/1344124979.db2.gz LNJQFVVRROAENU-NSHDSACASA-N -1 1 344.423 2.280 20 0 EEADMM CCSc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001578417444 1344275833 /nfs/dbraw/zinc/27/58/33/1344275833.db2.gz LEOFXTBQSJIRLZ-UHFFFAOYSA-N -1 1 341.400 2.045 20 0 EEADMM CN(C(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001578858010 1344309444 /nfs/dbraw/zinc/30/94/44/1344309444.db2.gz FLMXXALBUXVZBQ-AWEZNQCLSA-N -1 1 338.346 2.094 20 0 EEADMM CN(C(=O)[C@H]1CCc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001578858010 1344309448 /nfs/dbraw/zinc/30/94/48/1344309448.db2.gz FLMXXALBUXVZBQ-AWEZNQCLSA-N -1 1 338.346 2.094 20 0 EEADMM COc1ccnc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)c1F ZINC001580095048 1344470437 /nfs/dbraw/zinc/47/04/37/1344470437.db2.gz FSYRYMZYBHEOKY-UHFFFAOYSA-N -1 1 341.759 2.131 20 0 EEADMM C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1cccnc1 ZINC001580435265 1344520218 /nfs/dbraw/zinc/52/02/18/1344520218.db2.gz JKOBDHQEUHZPQE-JTQLQIEISA-N -1 1 333.355 2.234 20 0 EEADMM Cc1c(Nc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1 ZINC001580559964 1344536178 /nfs/dbraw/zinc/53/61/78/1344536178.db2.gz PKQSUUKECBJHDE-UHFFFAOYSA-N -1 1 336.334 2.060 20 0 EEADMM Cc1c(Nc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1 ZINC001580559964 1344536183 /nfs/dbraw/zinc/53/61/83/1344536183.db2.gz PKQSUUKECBJHDE-UHFFFAOYSA-N -1 1 336.334 2.060 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1coc2ccccc12 ZINC001580731783 1344553894 /nfs/dbraw/zinc/55/38/94/1344553894.db2.gz GDGZKWDUWZBLKY-UHFFFAOYSA-N -1 1 339.351 2.035 20 0 EEADMM Cc1nc(NCC2(c3ccc(F)cc3F)CC2)cc(-c2nnn[n-]2)n1 ZINC001581513508 1344633106 /nfs/dbraw/zinc/63/31/06/1344633106.db2.gz RKSRTZLWQHCYPN-UHFFFAOYSA-N -1 1 343.341 2.387 20 0 EEADMM Cc1nc(NCC2(c3ccc(F)cc3F)CC2)cc(-c2nn[n-]n2)n1 ZINC001581513508 1344633109 /nfs/dbraw/zinc/63/31/09/1344633109.db2.gz RKSRTZLWQHCYPN-UHFFFAOYSA-N -1 1 343.341 2.387 20 0 EEADMM O=C(CSc1ccc(F)c(F)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582133228 1344704659 /nfs/dbraw/zinc/70/46/59/1344704659.db2.gz VFNBXXLWACJSCU-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(CSc1ccc(F)c(F)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582133228 1344704663 /nfs/dbraw/zinc/70/46/63/1344704663.db2.gz VFNBXXLWACJSCU-UHFFFAOYSA-N -1 1 348.338 2.271 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1cccc(-c2nnn[n-]2)n1 ZINC001582337789 1344735914 /nfs/dbraw/zinc/73/59/14/1344735914.db2.gz UJIVPEGTVNATCF-DOMZBBRYSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1cccc(-c2nn[n-]n2)n1 ZINC001582337789 1344735919 /nfs/dbraw/zinc/73/59/19/1344735919.db2.gz UJIVPEGTVNATCF-DOMZBBRYSA-N -1 1 338.346 2.017 20 0 EEADMM O=C(NCc1ccc(F)cc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582552549 1344761903 /nfs/dbraw/zinc/76/19/03/1344761903.db2.gz VMKKWWSYKPTVMQ-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(NCc1ccc(F)cc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582552549 1344761906 /nfs/dbraw/zinc/76/19/06/1344761906.db2.gz VMKKWWSYKPTVMQ-UHFFFAOYSA-N -1 1 333.273 2.214 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccc2ccncc2c1 ZINC001582629191 1344770607 /nfs/dbraw/zinc/77/06/07/1344770607.db2.gz CIVPTSXDBWESEJ-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM CC(=Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001588773411 1348935633 /nfs/dbraw/zinc/93/56/33/1348935633.db2.gz YXNKMGFDVZNRTB-NTMALXAHSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=Cc1ccco1)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001588773411 1348935635 /nfs/dbraw/zinc/93/56/35/1348935635.db2.gz YXNKMGFDVZNRTB-NTMALXAHSA-N -1 1 341.375 2.453 20 0 EEADMM CC(C)(C)c1csc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001589235742 1348973167 /nfs/dbraw/zinc/97/31/67/1348973167.db2.gz MCQCVBZJIMPPKP-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(C)c1csc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001589235742 1348973170 /nfs/dbraw/zinc/97/31/70/1348973170.db2.gz MCQCVBZJIMPPKP-UHFFFAOYSA-N -1 1 329.389 2.268 20 0 EEADMM CC(C)(NC(=O)c1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001589322030 1348984379 /nfs/dbraw/zinc/98/43/79/1348984379.db2.gz NATXOOVCQHQOCP-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CC(C)(NC(=O)c1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001589322030 1348984380 /nfs/dbraw/zinc/98/43/80/1348984380.db2.gz NATXOOVCQHQOCP-UHFFFAOYSA-N -1 1 344.325 2.205 20 0 EEADMM CC(C)C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001589456381 1348990954 /nfs/dbraw/zinc/99/09/54/1348990954.db2.gz FSZQHOIAWAITDS-UHFFFAOYSA-N -1 1 343.478 2.135 20 0 EEADMM CC(C)C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001589456381 1348990957 /nfs/dbraw/zinc/99/09/57/1348990957.db2.gz FSZQHOIAWAITDS-UHFFFAOYSA-N -1 1 343.478 2.135 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)(F)F ZINC001589906100 1349059580 /nfs/dbraw/zinc/05/95/80/1349059580.db2.gz WIVSWJILPPELGZ-UHFFFAOYSA-N -1 1 327.310 2.417 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)(F)F ZINC001589906100 1349059583 /nfs/dbraw/zinc/05/95/83/1349059583.db2.gz WIVSWJILPPELGZ-UHFFFAOYSA-N -1 1 327.310 2.417 20 0 EEADMM CC(F)(F)CCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589910601 1349061044 /nfs/dbraw/zinc/06/10/44/1349061044.db2.gz ROMHNTNJNPEQCJ-UHFFFAOYSA-N -1 1 330.726 2.080 20 0 EEADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590052564 1349131899 /nfs/dbraw/zinc/13/18/99/1349131899.db2.gz POUWTLFTTFUGML-JTQLQIEISA-N -1 1 339.359 2.192 20 0 EEADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590052564 1349131904 /nfs/dbraw/zinc/13/19/04/1349131904.db2.gz POUWTLFTTFUGML-JTQLQIEISA-N -1 1 339.359 2.192 20 0 EEADMM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590243446 1349221274 /nfs/dbraw/zinc/22/12/74/1349221274.db2.gz KNKMTEALOWLJBX-ZJUUUORDSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@@H]1CCC[C@H](C)N(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590243446 1349221278 /nfs/dbraw/zinc/22/12/78/1349221278.db2.gz KNKMTEALOWLJBX-ZJUUUORDSA-N -1 1 335.437 2.043 20 0 EEADMM C[C@H]1CCCC[C@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001590252914 1349228521 /nfs/dbraw/zinc/22/85/21/1349228521.db2.gz PRWSXUBIDKZGEX-RYUDHWBXSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001590254952 1349229592 /nfs/dbraw/zinc/22/95/92/1349229592.db2.gz YHLAKLGCHNRNFN-NEPJUHHUSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001590254952 1349229598 /nfs/dbraw/zinc/22/95/98/1349229598.db2.gz YHLAKLGCHNRNFN-NEPJUHHUSA-N -1 1 346.460 2.391 20 0 EEADMM C[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)n2)[C@H](c2ccccc2)CO1 ZINC001590310488 1349258204 /nfs/dbraw/zinc/25/82/04/1349258204.db2.gz VWUWYVGAWZIRCS-DYVFJYSZSA-N -1 1 336.399 2.224 20 0 EEADMM CCC(CC)n1ccc(C(=O)Nc2snc(C)c2-c2nnn[n-]2)n1 ZINC001590436787 1349324953 /nfs/dbraw/zinc/32/49/53/1349324953.db2.gz ORBFURJFVFBROX-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CCC(CC)n1ccc(C(=O)Nc2snc(C)c2-c2nn[n-]n2)n1 ZINC001590436787 1349324962 /nfs/dbraw/zinc/32/49/62/1349324962.db2.gz ORBFURJFVFBROX-UHFFFAOYSA-N -1 1 346.420 2.442 20 0 EEADMM CC[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590471685 1349345857 /nfs/dbraw/zinc/34/58/57/1349345857.db2.gz LRBITQAEAOXERO-AAEUAGOBSA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590471685 1349345861 /nfs/dbraw/zinc/34/58/61/1349345861.db2.gz LRBITQAEAOXERO-AAEUAGOBSA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@@H](OCCn1ccn2ncc(-c3nn[n-]n3)c12)c1ccccc1 ZINC001590479034 1349350391 /nfs/dbraw/zinc/35/03/91/1349350391.db2.gz KMFGSWZZTVUBJT-OAHLLOKOSA-N -1 1 337.387 2.484 20 0 EEADMM CC[C@H](OCCNc1cc(-c2nnn[n-]2)ncn1)c1ccccc1 ZINC001590479335 1349351972 /nfs/dbraw/zinc/35/19/72/1349351972.db2.gz VQEBCUUVCLHOHJ-AWEZNQCLSA-N -1 1 325.376 2.237 20 0 EEADMM CC[C@H](OCCNc1cc(-c2nn[n-]n2)ncn1)c1ccccc1 ZINC001590479335 1349351981 /nfs/dbraw/zinc/35/19/81/1349351981.db2.gz VQEBCUUVCLHOHJ-AWEZNQCLSA-N -1 1 325.376 2.237 20 0 EEADMM CCCCc1ccc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001590614041 1349377211 /nfs/dbraw/zinc/37/72/11/1349377211.db2.gz BQHCSECMWKFNDV-NSHDSACASA-N -1 1 340.391 2.001 20 0 EEADMM CCc1ncc(CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)o1 ZINC001590925352 1349413778 /nfs/dbraw/zinc/41/37/78/1349413778.db2.gz PCILUVPSPPTYIB-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1ncc(CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)o1 ZINC001590925352 1349413782 /nfs/dbraw/zinc/41/37/82/1349413782.db2.gz PCILUVPSPPTYIB-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1nc(Nc2ccc(NC(C)=O)c(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590924298 1349414732 /nfs/dbraw/zinc/41/47/32/1349414732.db2.gz AXVSKQXVZMGMBT-UHFFFAOYSA-N -1 1 338.375 2.230 20 0 EEADMM CCc1nc(Nc2ccc(NC(C)=O)c(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590924298 1349414742 /nfs/dbraw/zinc/41/47/42/1349414742.db2.gz AXVSKQXVZMGMBT-UHFFFAOYSA-N -1 1 338.375 2.230 20 0 EEADMM COC(=O)c1cc(NCc2nc(-c3nnn[n-]3)cs2)c(C)cc1C ZINC001591290004 1349455794 /nfs/dbraw/zinc/45/57/94/1349455794.db2.gz GQKQRWFZDVYEQX-UHFFFAOYSA-N -1 1 344.400 2.339 20 0 EEADMM COC(=O)c1cc(NCc2nc(-c3nn[n-]n3)cs2)c(C)cc1C ZINC001591290004 1349455799 /nfs/dbraw/zinc/45/57/99/1349455799.db2.gz GQKQRWFZDVYEQX-UHFFFAOYSA-N -1 1 344.400 2.339 20 0 EEADMM COc1cc(CCO)ccc1NCc1csc(-c2nn[n-]n2)c1 ZINC001591524620 1349499283 /nfs/dbraw/zinc/49/92/83/1349499283.db2.gz LUJXHPAHIXZDSB-UHFFFAOYSA-N -1 1 331.401 2.084 20 0 EEADMM COc1cc(CNc2n[nH]c(C)c2-c2nnn[n-]2)cc(Cl)c1OC ZINC001591536926 1349500057 /nfs/dbraw/zinc/50/00/57/1349500057.db2.gz GBKNFVNHXUJQLE-UHFFFAOYSA-N -1 1 349.782 2.181 20 0 EEADMM COc1cc(CNc2n[nH]c(C)c2-c2nn[n-]n2)cc(Cl)c1OC ZINC001591536926 1349500064 /nfs/dbraw/zinc/50/00/64/1349500064.db2.gz GBKNFVNHXUJQLE-UHFFFAOYSA-N -1 1 349.782 2.181 20 0 EEADMM Cc1cc(N2CCC[C@H](C3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592002991 1349581365 /nfs/dbraw/zinc/58/13/65/1349581365.db2.gz BBPKBYRRLDULKO-AWEZNQCLSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(N2CCC[C@H](C3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592002991 1349581371 /nfs/dbraw/zinc/58/13/71/1349581371.db2.gz BBPKBYRRLDULKO-AWEZNQCLSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)o3)[nH]n2)o1 ZINC001592073427 1349588827 /nfs/dbraw/zinc/58/88/27/1349588827.db2.gz IZJMTKDGBZIQEW-UHFFFAOYSA-N -1 1 325.288 2.004 20 0 EEADMM Cc1ccc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)nc1-c1nnn[n-]1 ZINC001592174334 1349601550 /nfs/dbraw/zinc/60/15/50/1349601550.db2.gz AVLAIIOURKNYJH-VHSXEESVSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)nc1-c1nn[n-]n1 ZINC001592174334 1349601553 /nfs/dbraw/zinc/60/15/53/1349601553.db2.gz AVLAIIOURKNYJH-VHSXEESVSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)nc3)ccc2n1 ZINC001592202229 1349607330 /nfs/dbraw/zinc/60/73/30/1349607330.db2.gz AIIGRXMFIOEFLJ-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1ccc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)ccc2n1 ZINC001592202229 1349607335 /nfs/dbraw/zinc/60/73/35/1349607335.db2.gz AIIGRXMFIOEFLJ-UHFFFAOYSA-N -1 1 345.366 2.395 20 0 EEADMM Cc1nc(NCc2ccc([Si](C)(C)C)cc2)cc(-c2nnn[n-]2)n1 ZINC001592395280 1349627487 /nfs/dbraw/zinc/62/74/87/1349627487.db2.gz DAWGUAUFEKHNAB-UHFFFAOYSA-N -1 1 339.479 2.122 20 0 EEADMM Cc1nc(NCc2ccc([Si](C)(C)C)cc2)cc(-c2nn[n-]n2)n1 ZINC001592395280 1349627490 /nfs/dbraw/zinc/62/74/90/1349627490.db2.gz DAWGUAUFEKHNAB-UHFFFAOYSA-N -1 1 339.479 2.122 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H]2CCCCC2(C)C)c1-c1nnn[n-]1 ZINC001592434525 1349631779 /nfs/dbraw/zinc/63/17/79/1349631779.db2.gz YPKONAOOPYSNAL-LLVKDONJSA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nn(C)c(NC(=O)C[C@H]2CCCCC2(C)C)c1-c1nn[n-]n1 ZINC001592434525 1349631780 /nfs/dbraw/zinc/63/17/80/1349631780.db2.gz YPKONAOOPYSNAL-LLVKDONJSA-N -1 1 331.424 2.454 20 0 EEADMM Cc1nsc(N[C@H](C)CN(C)C(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592484593 1349636417 /nfs/dbraw/zinc/63/64/17/1349636417.db2.gz LTTPTACCDZGOGO-SECBINFHSA-N -1 1 347.448 2.001 20 0 EEADMM Cc1oc(-c2ccccc2)nc1Cn1ccc(-c2nn[n-]n2)cc1=O ZINC001592494892 1349637253 /nfs/dbraw/zinc/63/72/53/1349637253.db2.gz LFKYPUVXAMPTLE-UHFFFAOYSA-N -1 1 334.339 2.040 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CCN(c2ccccc2)C1 ZINC001592501027 1349638301 /nfs/dbraw/zinc/63/83/01/1349638301.db2.gz HCZVCIQUUYWKQV-ZDUSSCGKSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CCN(c2ccccc2)C1 ZINC001592501027 1349638304 /nfs/dbraw/zinc/63/83/04/1349638304.db2.gz HCZVCIQUUYWKQV-ZDUSSCGKSA-N -1 1 339.355 2.204 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC001592503889 1349639955 /nfs/dbraw/zinc/63/99/55/1349639955.db2.gz ZKWUJGFDXNJBNA-LKFCYVNXSA-N -1 1 325.328 2.020 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC001592503889 1349639956 /nfs/dbraw/zinc/63/99/56/1349639956.db2.gz ZKWUJGFDXNJBNA-LKFCYVNXSA-N -1 1 325.328 2.020 20 0 EEADMM Clc1nsc(NCc2cnc(Cl)cn2)c1-c1nnn[n-]1 ZINC001592536836 1349651416 /nfs/dbraw/zinc/65/14/16/1349651416.db2.gz VLWQWETTXPSEBD-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM Clc1nsc(NCc2cnc(Cl)cn2)c1-c1nn[n-]n1 ZINC001592536836 1349651418 /nfs/dbraw/zinc/65/14/18/1349651418.db2.gz VLWQWETTXPSEBD-UHFFFAOYSA-N -1 1 329.176 2.032 20 0 EEADMM Cn1c(-c2coc(-c3nnn[n-]3)c2)nnc1N1CCCC2(CC2)CC1 ZINC001592542379 1349654124 /nfs/dbraw/zinc/65/41/24/1349654124.db2.gz GKYUHZOLLORDLO-UHFFFAOYSA-N -1 1 340.391 2.026 20 0 EEADMM Cn1c(-c2coc(-c3nn[n-]n3)c2)nnc1N1CCCC2(CC2)CC1 ZINC001592542379 1349654128 /nfs/dbraw/zinc/65/41/28/1349654128.db2.gz GKYUHZOLLORDLO-UHFFFAOYSA-N -1 1 340.391 2.026 20 0 EEADMM Cn1c(=O)[nH]c2ccc(NCc3csc(-c4nn[n-]n4)c3)cc21 ZINC001592544873 1349654585 /nfs/dbraw/zinc/65/45/85/1349654585.db2.gz BIIFSLSTWNKAEI-UHFFFAOYSA-N -1 1 327.373 2.133 20 0 EEADMM Cn1c(NC(=O)c2ccsc2-c2nnn[n-]2)nc2ccc(F)cc21 ZINC001592555822 1349657611 /nfs/dbraw/zinc/65/76/11/1349657611.db2.gz QVQNPWISEHUQNR-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1c(NC(=O)c2ccsc2-c2nn[n-]n2)nc2ccc(F)cc21 ZINC001592555822 1349657612 /nfs/dbraw/zinc/65/76/12/1349657612.db2.gz QVQNPWISEHUQNR-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592596526 1349667020 /nfs/dbraw/zinc/66/70/20/1349667020.db2.gz VNRURMOXTCNIIH-UHFFFAOYSA-N -1 1 327.348 2.103 20 0 EEADMM FC(F)(F)[C@@H](CNc1ncncc1-c1nn[n-]n1)c1ccccc1 ZINC001592613252 1349669784 /nfs/dbraw/zinc/66/97/84/1349669784.db2.gz CZJQKJMGJFULRU-NSHDSACASA-N -1 1 335.293 2.415 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001592618370 1349673701 /nfs/dbraw/zinc/67/37/01/1349673701.db2.gz RHHXPCPWVFFJQT-UHFFFAOYSA-N -1 1 325.254 2.101 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001592618370 1349673706 /nfs/dbraw/zinc/67/37/06/1349673706.db2.gz RHHXPCPWVFFJQT-UHFFFAOYSA-N -1 1 325.254 2.101 20 0 EEADMM FC(F)(F)[C@@H]1CC=CC[C@H]1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592617755 1349673821 /nfs/dbraw/zinc/67/38/21/1349673821.db2.gz FOMIFFGZENDRKE-DTWKUNHWSA-N -1 1 325.298 2.213 20 0 EEADMM FC(F)(F)[C@@H]1CC=CC[C@H]1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592617755 1349673827 /nfs/dbraw/zinc/67/38/27/1349673827.db2.gz FOMIFFGZENDRKE-DTWKUNHWSA-N -1 1 325.298 2.213 20 0 EEADMM FC[C@H]1CCCN(c2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001592631962 1349682514 /nfs/dbraw/zinc/68/25/14/1349682514.db2.gz LRYFHKLAMNWAKP-MRVPVSSYSA-N -1 1 341.188 2.210 20 0 EEADMM FC[C@H]1CCCN(c2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001592631962 1349682523 /nfs/dbraw/zinc/68/25/23/1349682523.db2.gz LRYFHKLAMNWAKP-MRVPVSSYSA-N -1 1 341.188 2.210 20 0 EEADMM Fc1ccc(-c2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)c(F)c1 ZINC001592646635 1349692532 /nfs/dbraw/zinc/69/25/32/1349692532.db2.gz UCSWBXLIHMLCFC-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(-c2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)c(F)c1 ZINC001592646635 1349692537 /nfs/dbraw/zinc/69/25/37/1349692537.db2.gz UCSWBXLIHMLCFC-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC001592883527 1349722034 /nfs/dbraw/zinc/72/20/34/1349722034.db2.gz FGQYTEVTDDMVDA-UHFFFAOYSA-N -1 1 344.277 2.185 20 0 EEADMM O=C(COC(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001592883527 1349722039 /nfs/dbraw/zinc/72/20/39/1349722039.db2.gz FGQYTEVTDDMVDA-UHFFFAOYSA-N -1 1 344.277 2.185 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2OC1)c1csc(-c2nn[n-]n2)c1 ZINC001592997122 1349732526 /nfs/dbraw/zinc/73/25/26/1349732526.db2.gz SKAQMKKTTSLJJV-LBPRGKRZSA-N -1 1 341.396 2.052 20 0 EEADMM O=C([O-])[C@@H](C[NH2+]Cc1csc(-c2nn[n-]n2)c1)CC1CCCC1 ZINC001593276809 1349759876 /nfs/dbraw/zinc/75/98/76/1349759876.db2.gz TWFNOAVVLWAXMW-GFCCVEGCSA-N -1 1 335.433 2.299 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)n[nH]1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593291338 1349768274 /nfs/dbraw/zinc/76/82/74/1349768274.db2.gz KNOFSKQOUYIQLQ-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(OCc1cc(-c2ccccc2)n[nH]1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593291338 1349768277 /nfs/dbraw/zinc/76/82/77/1349768277.db2.gz KNOFSKQOUYIQLQ-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC(c2ccccc2F)C1 ZINC001593339453 1349784739 /nfs/dbraw/zinc/78/47/39/1349784739.db2.gz RQKDOJBLSAJRQQ-UHFFFAOYSA-N -1 1 329.360 2.307 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC(c2ccccc2F)C1 ZINC001593339453 1349784745 /nfs/dbraw/zinc/78/47/45/1349784745.db2.gz RQKDOJBLSAJRQQ-UHFFFAOYSA-N -1 1 329.360 2.307 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001593362092 1349790934 /nfs/dbraw/zinc/79/09/34/1349790934.db2.gz FWCCYKWIFZCDCX-UHTWSYAYSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC001593362092 1349790936 /nfs/dbraw/zinc/79/09/36/1349790936.db2.gz FWCCYKWIFZCDCX-UHTWSYAYSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001593362091 1349791241 /nfs/dbraw/zinc/79/12/41/1349791241.db2.gz FWCCYKWIFZCDCX-RTXFEEFZSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC001593362091 1349791244 /nfs/dbraw/zinc/79/12/44/1349791244.db2.gz FWCCYKWIFZCDCX-RTXFEEFZSA-N -1 1 347.444 2.084 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2ccc(F)c(F)c21 ZINC001593369278 1349791857 /nfs/dbraw/zinc/79/18/57/1349791857.db2.gz HGXDTYFXPQHNBI-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2ccc(F)c(F)c21 ZINC001593369278 1349791858 /nfs/dbraw/zinc/79/18/58/1349791858.db2.gz HGXDTYFXPQHNBI-UHFFFAOYSA-N -1 1 331.282 2.331 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc2C1 ZINC001593461230 1349802286 /nfs/dbraw/zinc/80/22/86/1349802286.db2.gz SCRPSPCEKCWDGH-OWJWWREXSA-N -1 1 339.424 2.068 20 0 EEADMM O=[S@@](Cc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc2C1 ZINC001593461230 1349802287 /nfs/dbraw/zinc/80/22/87/1349802287.db2.gz SCRPSPCEKCWDGH-OWJWWREXSA-N -1 1 339.424 2.068 20 0 EEADMM O=c1[nH]c2cc(CNc3nc(Cl)c(-c4nnn[n-]4)s3)ccc2o1 ZINC001593488640 1349815760 /nfs/dbraw/zinc/81/57/60/1349815760.db2.gz PFSFBRWHHAXJCJ-UHFFFAOYSA-N -1 1 349.763 2.436 20 0 EEADMM O=c1[nH]c2cc(CNc3nc(Cl)c(-c4nn[n-]n4)s3)ccc2o1 ZINC001593488640 1349815764 /nfs/dbraw/zinc/81/57/64/1349815764.db2.gz PFSFBRWHHAXJCJ-UHFFFAOYSA-N -1 1 349.763 2.436 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1CC1CCC(C(F)(F)F)CC1 ZINC001593496078 1349819559 /nfs/dbraw/zinc/81/95/59/1349819559.db2.gz ADCYBUYUDNQYSB-UHFFFAOYSA-N -1 1 327.310 2.397 20 0 EEADMM c1ccc(-c2nnc(Sc3ncncc3-c3nnn[n-]3)s2)cc1 ZINC001593568077 1349853469 /nfs/dbraw/zinc/85/34/69/1349853469.db2.gz OKHSPCWCZISVPA-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM c1ccc(-c2nnc(Sc3ncncc3-c3nn[n-]n3)s2)cc1 ZINC001593568077 1349853472 /nfs/dbraw/zinc/85/34/72/1349853472.db2.gz OKHSPCWCZISVPA-UHFFFAOYSA-N -1 1 340.397 2.326 20 0 EEADMM c1cc(-c2nc(-c3nccc4c3CCCC4)no2)oc1-c1nn[n-]n1 ZINC001593567310 1349854004 /nfs/dbraw/zinc/85/40/04/1349854004.db2.gz XPAFGZXBUJNAHL-UHFFFAOYSA-N -1 1 335.327 2.451 20 0 EEADMM c1cncc(-c2cccc(CNc3cc(-c4nnn[n-]4)ncn3)c2)c1 ZINC001593587201 1349865649 /nfs/dbraw/zinc/86/56/49/1349865649.db2.gz KUWHQJAWKHBTFT-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1cncc(-c2cccc(CNc3cc(-c4nn[n-]n4)ncn3)c2)c1 ZINC001593587201 1349865652 /nfs/dbraw/zinc/86/56/52/1349865652.db2.gz KUWHQJAWKHBTFT-UHFFFAOYSA-N -1 1 330.355 2.331 20 0 EEADMM c1sc(CN2CCOC3(C2)CCCCCC3)nc1-c1nnn[n-]1 ZINC001593596093 1349869891 /nfs/dbraw/zinc/86/98/91/1349869891.db2.gz LRSQORTWPPZDOF-UHFFFAOYSA-N -1 1 334.449 2.248 20 0 EEADMM c1sc(CN2CCOC3(C2)CCCCCC3)nc1-c1nn[n-]n1 ZINC001593596093 1349869899 /nfs/dbraw/zinc/86/98/99/1349869899.db2.gz LRSQORTWPPZDOF-UHFFFAOYSA-N -1 1 334.449 2.248 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1C1CCOCC1 ZINC001600012428 1349954943 /nfs/dbraw/zinc/95/49/43/1349954943.db2.gz IETJBZQZKXZVDR-LBPRGKRZSA-N -1 1 327.812 2.392 20 0 EEADMM Cc1cc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC001600084549 1349968079 /nfs/dbraw/zinc/96/80/79/1349968079.db2.gz RLOXSZYCSCRPCI-CQSZACIVSA-N -1 1 346.358 2.082 20 0 EEADMM Cc1cc(C)c(CCNC(=O)CN2CCC(CC(=O)[O-])CC2)c(C)c1 ZINC001600161371 1349983040 /nfs/dbraw/zinc/98/30/40/1349983040.db2.gz UUTQNKOSSQACCF-UHFFFAOYSA-N -1 1 346.471 2.457 20 0 EEADMM Cc1ccc(-c2cc(NC(=O)Nc3cc(C(=O)[O-])nn3C)[nH]n2)o1 ZINC001600313787 1350018147 /nfs/dbraw/zinc/01/81/47/1350018147.db2.gz NFMJHXARPQYISJ-UHFFFAOYSA-N -1 1 330.304 2.054 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(F)c1Cl ZINC001600334187 1350022468 /nfs/dbraw/zinc/02/24/68/1350022468.db2.gz ZIMKOPBCYVOTRZ-NSHDSACASA-N -1 1 342.798 2.409 20 0 EEADMM Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)cc1C(=O)[O-] ZINC001600334232 1350022664 /nfs/dbraw/zinc/02/26/64/1350022664.db2.gz CQABVXMPXAWZIU-UHFFFAOYSA-N -1 1 325.368 2.494 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C[C@H]1CCOC1)C1CC1 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UPQIAQZOQPFVBP-LLVKDONJSA-N -1 1 340.387 2.361 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001600754552 1350129537 /nfs/dbraw/zinc/12/95/37/1350129537.db2.gz QDZWQBJWWDKYFE-UHFFFAOYSA-N -1 1 336.351 2.455 20 0 EEADMM Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(C(=O)[O-])n2C)C1 ZINC001600809233 1350141515 /nfs/dbraw/zinc/14/15/15/1350141515.db2.gz LSHSAVKATACHGA-AWEZNQCLSA-N -1 1 333.388 2.119 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CNc1ccc(N2CCN(C)CC2)cn1 ZINC001600830628 1350147303 /nfs/dbraw/zinc/14/73/03/1350147303.db2.gz JEVPBNXAZQTGOX-UHFFFAOYSA-N -1 1 330.388 2.045 20 0 EEADMM Cc1oc(S(=O)(=O)NC2(C(F)(F)F)CCC2)cc1C(=O)[O-] ZINC001600855576 1350153453 /nfs/dbraw/zinc/15/34/53/1350153453.db2.gz QAQDLEOZSIDMGZ-UHFFFAOYSA-N -1 1 327.280 2.050 20 0 EEADMM Cc1sc([C@H]2CCCN2CCC(=O)NC(C)C)nc1C(=O)[O-] ZINC001600884457 1350159514 /nfs/dbraw/zinc/15/95/14/1350159514.db2.gz LGZFSSHMNIXUII-LLVKDONJSA-N -1 1 325.434 2.201 20 0 EEADMM Cn1ncc(C2CC2)c1CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001601026736 1350193384 /nfs/dbraw/zinc/19/33/84/1350193384.db2.gz QCBJTTBCQMFTPV-MNOVXSKESA-N -1 1 331.338 2.383 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1Cl ZINC001601270663 1350246070 /nfs/dbraw/zinc/24/60/70/1350246070.db2.gz SCCFFWAOMYIQNO-AWEZNQCLSA-N -1 1 335.791 2.198 20 0 EEADMM O=C([O-])c1cccc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001601303545 1350252780 /nfs/dbraw/zinc/25/27/80/1350252780.db2.gz ZETJOPKPRNAKKT-CQDKDKBSSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)c1cccnc1 ZINC001601404791 1350276531 /nfs/dbraw/zinc/27/65/31/1350276531.db2.gz ZAWCWIRICUOWAO-KRWDZBQOSA-N -1 1 348.362 2.198 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCCC1 ZINC001601454326 1350286951 /nfs/dbraw/zinc/28/69/51/1350286951.db2.gz OFWYTNVZELATTQ-HNNXBMFYSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cccc4nc[nH]c43)nc2C1 ZINC001601631037 1350323846 /nfs/dbraw/zinc/32/38/46/1350323846.db2.gz OPNQBBPFBCPLHW-MRVPVSSYSA-N -1 1 342.380 2.461 20 0 EEADMM O=C([O-])[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC001601660266 1350330943 /nfs/dbraw/zinc/33/09/43/1350330943.db2.gz NPISLQZTTVXFJN-IAGOWNOFSA-N -1 1 342.370 2.217 20 0 EEADMM O=C([O-])C12CCC(CC1)[N@H+]2Cc1nc(Cc2ccc(F)cc2)no1 ZINC001601732328 1350350363 /nfs/dbraw/zinc/35/03/63/1350350363.db2.gz RIBIKUXEDMCLPB-UHFFFAOYSA-N -1 1 331.347 2.381 20 0 EEADMM O=C([O-])C12CCC(CC1)N2Cc1nc(Cc2ccc(F)cc2)no1 ZINC001601732328 1350350365 /nfs/dbraw/zinc/35/03/65/1350350365.db2.gz RIBIKUXEDMCLPB-UHFFFAOYSA-N -1 1 331.347 2.381 20 0 EEADMM O=C([O-])[C@@H]1[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1(F)F ZINC001601753926 1350356653 /nfs/dbraw/zinc/35/66/53/1350356653.db2.gz ZDLIZCJEILCTKS-KGLIPLIRSA-N -1 1 344.789 2.424 20 0 EEADMM O=C([O-])C1CC2(C1)C[N@@H+](Cc1cccc3ncccc13)C[C@@H]2C(=O)[O-] ZINC001601782994 1350363993 /nfs/dbraw/zinc/36/39/93/1350363993.db2.gz WCJMNIGVGDKMAZ-SHBDPFAUSA-N -1 1 340.379 2.232 20 0 EEADMM O=C([O-])CCSCCNC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001602029416 1350421524 /nfs/dbraw/zinc/42/15/24/1350421524.db2.gz IZYPOEVLTHRVJF-UHFFFAOYSA-N -1 1 327.793 2.154 20 0 EEADMM O=C([O-])c1ccc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)s1 ZINC001602322668 1350493979 /nfs/dbraw/zinc/49/39/79/1350493979.db2.gz KLQAVLHLUVHFNM-UHFFFAOYSA-N -1 1 342.380 2.204 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1n[nH]cc1C(F)(F)F)C2 ZINC001602419640 1350514831 /nfs/dbraw/zinc/51/48/31/1350514831.db2.gz BNIMVYNGUANROP-UHFFFAOYSA-N -1 1 325.246 2.283 20 0 EEADMM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3c(n2)CCCC3)c1 ZINC001602452825 1350522329 /nfs/dbraw/zinc/52/23/29/1350522329.db2.gz YCBDJXCIHYMEEW-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM O=C([O-])c1ccccc1CCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001602468021 1350526405 /nfs/dbraw/zinc/52/64/05/1350526405.db2.gz MRGYXUMLEPXBMU-HNNXBMFYSA-N -1 1 327.384 2.362 20 0 EEADMM O=C([O-])c1cn([C@H]2CCC[N@@H+](CCc3cccc(F)c3F)C2)nn1 ZINC001602495379 1350531733 /nfs/dbraw/zinc/53/17/33/1350531733.db2.gz RTXNLZZZPORYJR-LBPRGKRZSA-N -1 1 336.342 2.134 20 0 EEADMM O=C([O-])c1nn(CN2CCOC[C@H](C3CCC3)C2)c2ccccc21 ZINC001602586995 1350551751 /nfs/dbraw/zinc/55/17/51/1350551751.db2.gz YXLNZADRUZEDEW-CQSZACIVSA-N -1 1 329.400 2.441 20 0 EEADMM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001602624546 1350560474 /nfs/dbraw/zinc/56/04/74/1350560474.db2.gz ADWGZXKLMSOITQ-UHFFFAOYSA-N -1 1 327.340 2.004 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1cccs1 ZINC001602900562 1350602051 /nfs/dbraw/zinc/60/20/51/1350602051.db2.gz JBMQIHKTMHIRSA-BQYQJAHWSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1cccs1 ZINC001602900562 1350602054 /nfs/dbraw/zinc/60/20/54/1350602054.db2.gz JBMQIHKTMHIRSA-BQYQJAHWSA-N -1 1 329.389 2.012 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C)c1ccc(F)cc1 ZINC001602901776 1350602716 /nfs/dbraw/zinc/60/27/16/1350602716.db2.gz POJLRZVRWSRESB-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=CC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C)c1ccc(F)cc1 ZINC001602901776 1350602718 /nfs/dbraw/zinc/60/27/18/1350602718.db2.gz POJLRZVRWSRESB-HJWRWDBZSA-N -1 1 341.350 2.090 20 0 EEADMM C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603148754 1350649816 /nfs/dbraw/zinc/64/98/16/1350649816.db2.gz ICDVVDZNIKSVKD-AORAQPTISA-N -1 1 328.412 2.005 20 0 EEADMM CC(C)c1noc([C@H](C)OC(=O)c2sccc2-c2nn[n-]n2)n1 ZINC001603421232 1350702982 /nfs/dbraw/zinc/70/29/82/1350702982.db2.gz OWBLZVOZKCBKAU-ZETCQYMHSA-N -1 1 334.361 2.353 20 0 EEADMM C[C@H](COCc1ccccc1)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603568583 1350721604 /nfs/dbraw/zinc/72/16/04/1350721604.db2.gz CLRVNPTYAALZJL-GFCCVEGCSA-N -1 1 342.355 2.469 20 0 EEADMM C[C@@H](COCc1ccccc1)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603568584 1350721633 /nfs/dbraw/zinc/72/16/33/1350721633.db2.gz CLRVNPTYAALZJL-LBPRGKRZSA-N -1 1 342.355 2.469 20 0 EEADMM C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603735519 1350754168 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Cc1c(-c2nn[n-]n2)c(NC(=O)CCSc2ccccc2)nn1C ZINC001605465640 1351164415 /nfs/dbraw/zinc/16/44/15/1351164415.db2.gz OKPDEOJHJVASMP-UHFFFAOYSA-N -1 1 343.416 2.030 20 0 EEADMM Cc1c(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]c1C1CC1 ZINC001605484460 1351168963 /nfs/dbraw/zinc/16/89/63/1351168963.db2.gz YBYDWKNSUZRCDW-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM Cc1c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]c1C1CC1 ZINC001605484460 1351168969 /nfs/dbraw/zinc/16/89/69/1351168969.db2.gz YBYDWKNSUZRCDW-UHFFFAOYSA-N -1 1 327.323 2.167 20 0 EEADMM CCOC(=O)/C=C\CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001605531513 1351182332 /nfs/dbraw/zinc/18/23/32/1351182332.db2.gz NTUZTVALFIVPLJ-ZRUQZJFASA-N -1 1 327.764 2.183 20 0 EEADMM CCOCCO[C@H]1CCN(Cc2cc(C(=O)[O-])c3n2CCCC3)C1 ZINC001605638302 1351207918 /nfs/dbraw/zinc/20/79/18/1351207918.db2.gz AYXBOMZQEJHQAS-HNNXBMFYSA-N -1 1 336.432 2.150 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001605682921 1351215233 /nfs/dbraw/zinc/21/52/33/1351215233.db2.gz FLFHCUUZMSUDDJ-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001605682921 1351215235 /nfs/dbraw/zinc/21/52/35/1351215235.db2.gz FLFHCUUZMSUDDJ-UHFFFAOYSA-N -1 1 341.350 2.073 20 0 EEADMM Cc1ccc(C)c(OCCCn2cc(C)cc(-c3nn[n-]n3)c2=O)c1 ZINC001605833333 1351231748 /nfs/dbraw/zinc/23/17/48/1351231748.db2.gz XSHDQTDVNBWGGE-UHFFFAOYSA-N -1 1 339.399 2.423 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C)c(Cl)c2)nn1C ZINC001605839039 1351232609 /nfs/dbraw/zinc/23/26/09/1351232609.db2.gz WRBJSNNTEUPZPT-UHFFFAOYSA-N -1 1 345.794 2.052 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C)c(Cl)c2)nn1C ZINC001605839039 1351232612 /nfs/dbraw/zinc/23/26/12/1351232612.db2.gz WRBJSNNTEUPZPT-UHFFFAOYSA-N -1 1 345.794 2.052 20 0 EEADMM Cc1ccc(Cl)cc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605861382 1351239996 /nfs/dbraw/zinc/23/99/96/1351239996.db2.gz ODHBUFMWINSVGA-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1ccc(Cl)cc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605861382 1351239998 /nfs/dbraw/zinc/23/99/98/1351239998.db2.gz ODHBUFMWINSVGA-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001605878253 1351244650 /nfs/dbraw/zinc/24/46/50/1351244650.db2.gz IJXKAOLVTSSILQ-SNVBAGLBSA-N -1 1 344.400 2.346 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001605878253 1351244654 /nfs/dbraw/zinc/24/46/54/1351244654.db2.gz IJXKAOLVTSSILQ-SNVBAGLBSA-N -1 1 344.400 2.346 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3c(s2)CCCC3)c1-c1nnn[n-]1 ZINC001606113003 1351272976 /nfs/dbraw/zinc/27/29/76/1351272976.db2.gz SILUUCZHEDYMCP-UHFFFAOYSA-N -1 1 343.416 2.101 20 0 EEADMM Cc1nn(C)c(NC(=O)c2cc3c(s2)CCCC3)c1-c1nn[n-]n1 ZINC001606113003 1351272979 /nfs/dbraw/zinc/27/29/79/1351272979.db2.gz SILUUCZHEDYMCP-UHFFFAOYSA-N -1 1 343.416 2.101 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)o1 ZINC001606638957 1351336169 /nfs/dbraw/zinc/33/61/69/1351336169.db2.gz URMHKUPLRKRFBI-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)o1 ZINC001606638957 1351336171 /nfs/dbraw/zinc/33/61/71/1351336171.db2.gz URMHKUPLRKRFBI-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccsc1-c1nnn[n-]1 ZINC001606647519 1351336721 /nfs/dbraw/zinc/33/67/21/1351336721.db2.gz NXZXEASZWAWNFC-FRRDWIJNSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ccsc1-c1nn[n-]n1 ZINC001606647519 1351336723 /nfs/dbraw/zinc/33/67/23/1351336723.db2.gz NXZXEASZWAWNFC-FRRDWIJNSA-N -1 1 341.371 2.135 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606655715 1351337954 /nfs/dbraw/zinc/33/79/54/1351337954.db2.gz CTIHXRILNQDKPF-LSDHHAIUSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606655715 1351337956 /nfs/dbraw/zinc/33/79/56/1351337956.db2.gz CTIHXRILNQDKPF-LSDHHAIUSA-N -1 1 348.410 2.403 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@@H](NCC(=O)N(C)C2CCCCC2)C(=O)[O-])C1 ZINC001606742597 1351350351 /nfs/dbraw/zinc/35/03/51/1351350351.db2.gz QWKWTOPZECPTJT-FRFSOERESA-N -1 1 340.464 2.026 20 0 EEADMM O=C(NCc1cccc2cccnc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606835404 1351364866 /nfs/dbraw/zinc/36/48/66/1351364866.db2.gz CQZSVPXZGCMGQP-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM O=C(NCc1cccc2cccnc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606835404 1351364869 /nfs/dbraw/zinc/36/48/69/1351364869.db2.gz CQZSVPXZGCMGQP-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM COCCOCc1ccc(-c2nc3ncc(C(=O)[O-])cc3[nH]2)cc1 ZINC001606906558 1351373388 /nfs/dbraw/zinc/37/33/88/1351373388.db2.gz MBKYAUKHVJCCEN-UHFFFAOYSA-N -1 1 327.340 2.486 20 0 EEADMM O=C(Nc1ccnc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001606941274 1351380759 /nfs/dbraw/zinc/38/07/59/1351380759.db2.gz PFXHSWGWXQBKCC-UHFFFAOYSA-N -1 1 333.311 2.169 20 0 EEADMM O=C(OC[C@@H]1CCO[C@@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606968272 1351387254 /nfs/dbraw/zinc/38/72/54/1351387254.db2.gz WYTAZBXZUJMZLP-SWLSCSKDSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OC[C@@H]1CCO[C@@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606968272 1351387258 /nfs/dbraw/zinc/38/72/58/1351387258.db2.gz WYTAZBXZUJMZLP-SWLSCSKDSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OCCc1ccccc1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001606972740 1351388343 /nfs/dbraw/zinc/38/83/43/1351388343.db2.gz ZRNJDTBJHKFFRC-UHFFFAOYSA-N -1 1 329.747 2.315 20 0 EEADMM O=C(OCCc1ccccc1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001606972740 1351388346 /nfs/dbraw/zinc/38/83/46/1351388346.db2.gz ZRNJDTBJHKFFRC-UHFFFAOYSA-N -1 1 329.747 2.315 20 0 EEADMM O=C(OCc1cccc2c1CCOC2)c1ccc(-c2nnn[n-]2)s1 ZINC001606983183 1351392224 /nfs/dbraw/zinc/39/22/24/1351392224.db2.gz SFLJFYUCDRDOSH-UHFFFAOYSA-N -1 1 342.380 2.358 20 0 EEADMM O=C(OCc1cccc2c1CCOC2)c1ccc(-c2nn[n-]n2)s1 ZINC001606983183 1351392227 /nfs/dbraw/zinc/39/22/27/1351392227.db2.gz SFLJFYUCDRDOSH-UHFFFAOYSA-N -1 1 342.380 2.358 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(Cc2ccccc2)CC1 ZINC001606985146 1351392715 /nfs/dbraw/zinc/39/27/15/1351392715.db2.gz JRUMRJLLMGZNGA-UHFFFAOYSA-N -1 1 341.396 2.389 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(Cc2ccccc2)CC1 ZINC001606985146 1351392717 /nfs/dbraw/zinc/39/27/17/1351392717.db2.gz JRUMRJLLMGZNGA-UHFFFAOYSA-N -1 1 341.396 2.389 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCc2ccsc2C1 ZINC001607007294 1351396457 /nfs/dbraw/zinc/39/64/57/1351396457.db2.gz UBYXZALXUCJMLZ-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCc2ccsc2C1 ZINC001607007294 1351396459 /nfs/dbraw/zinc/39/64/59/1351396459.db2.gz UBYXZALXUCJMLZ-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM COc1c(NC(=O)N2CCN(C)C[C@@H]2C(C)C)cccc1C(=O)[O-] ZINC001607031670 1351401908 /nfs/dbraw/zinc/40/19/08/1351401908.db2.gz MAYFIYUCRFPWOC-CQSZACIVSA-N -1 1 335.404 2.197 20 0 EEADMM O[C@@]1(CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC001607098861 1351417469 /nfs/dbraw/zinc/41/74/69/1351417469.db2.gz BDCJGGCNCKXPFQ-CQSZACIVSA-N -1 1 348.819 2.223 20 0 EEADMM O[C@@]1(CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC001607098861 1351417470 /nfs/dbraw/zinc/41/74/70/1351417470.db2.gz BDCJGGCNCKXPFQ-CQSZACIVSA-N -1 1 348.819 2.223 20 0 EEADMM c1sc(CNc2ccc([C@@H]3CCOC3)cc2)nc1-c1nnn[n-]1 ZINC001607118021 1351425271 /nfs/dbraw/zinc/42/52/71/1351425271.db2.gz NZGJDQLSOZZDOA-LLVKDONJSA-N -1 1 328.401 2.439 20 0 EEADMM c1sc(CNc2ccc([C@@H]3CCOC3)cc2)nc1-c1nn[n-]n1 ZINC001607118021 1351425274 /nfs/dbraw/zinc/42/52/74/1351425274.db2.gz NZGJDQLSOZZDOA-LLVKDONJSA-N -1 1 328.401 2.439 20 0 EEADMM c1ccc(C2(CNc3cc(-c4nnn[n-]4)nc(C4CC4)n3)CCC2)nc1 ZINC001607127243 1351430632 /nfs/dbraw/zinc/43/06/32/1351430632.db2.gz VDXDJFMTZUDGHZ-UHFFFAOYSA-N -1 1 348.414 2.463 20 0 EEADMM c1ccc(C2(CNc3cc(-c4nn[n-]n4)nc(C4CC4)n3)CCC2)nc1 ZINC001607127243 1351430634 /nfs/dbraw/zinc/43/06/34/1351430634.db2.gz VDXDJFMTZUDGHZ-UHFFFAOYSA-N -1 1 348.414 2.463 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nnn[n-]4)n3)[C@@H]3CCOC[C@@H]23)cc1 ZINC001607129302 1351430904 /nfs/dbraw/zinc/43/09/04/1351430904.db2.gz JFIZSVQMMWSMIF-YQQAZPJKSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc([C@@H]2CN(c3cccc(-c4nn[n-]n4)n3)[C@@H]3CCOC[C@@H]23)cc1 ZINC001607129302 1351430907 /nfs/dbraw/zinc/43/09/07/1351430907.db2.gz JFIZSVQMMWSMIF-YQQAZPJKSA-N -1 1 348.410 2.271 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CC2(CCC2)CO1 ZINC001607131864 1351432776 /nfs/dbraw/zinc/43/27/76/1351432776.db2.gz QWSCFUPRZXQKBA-NSHDSACASA-N -1 1 337.387 2.181 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CC2(CCC2)CO1 ZINC001607131864 1351432777 /nfs/dbraw/zinc/43/27/77/1351432777.db2.gz QWSCFUPRZXQKBA-NSHDSACASA-N -1 1 337.387 2.181 20 0 EEADMM COc1cccc([C@H](C(=O)[O-])N2CCCN(CC(F)(F)F)CC2)c1 ZINC001607310196 1351469944 /nfs/dbraw/zinc/46/99/44/1351469944.db2.gz AWBJBLXYNSJWQX-CQSZACIVSA-N -1 1 346.349 2.391 20 0 EEADMM COc1cccc(C[C@H](N)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001607318480 1351472417 /nfs/dbraw/zinc/47/24/17/1351472417.db2.gz JSNLMYSPFQWHAQ-INIZCTEOSA-N -1 1 328.368 2.210 20 0 EEADMM COc1ccccc1/C=C\C[N@H+]1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001607340260 1351478275 /nfs/dbraw/zinc/47/82/75/1351478275.db2.gz MPGBKJYYXVFDAZ-IHVZRTJVSA-N -1 1 345.395 2.206 20 0 EEADMM Cc1[nH]c(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1C(=O)[O-] ZINC001607497187 1351505797 /nfs/dbraw/zinc/50/57/97/1351505797.db2.gz RDAZMCWQSCQCIN-QGZVFWFLSA-N -1 1 341.411 2.475 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1c2c(nn1C)CCCC2 ZINC001607599455 1351522011 /nfs/dbraw/zinc/52/20/11/1351522011.db2.gz UFNHSQZRYXOMKN-UHFFFAOYSA-N -1 1 349.412 2.106 20 0 EEADMM Cc1cc(CCC(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])n[nH]1 ZINC001607638224 1351530785 /nfs/dbraw/zinc/53/07/85/1351530785.db2.gz OKRPJOGVVPDVSY-CZUORRHYSA-N -1 1 329.400 2.099 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC001607739069 1351549337 /nfs/dbraw/zinc/54/93/37/1351549337.db2.gz FDXAQNIXNGYTMZ-KCQAQPDRSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)O)C1 ZINC001607739069 1351549342 /nfs/dbraw/zinc/54/93/42/1351549342.db2.gz FDXAQNIXNGYTMZ-KCQAQPDRSA-N -1 1 334.416 2.113 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C)C[C@H]1CCCOC1 ZINC001607925933 1351586830 /nfs/dbraw/zinc/58/68/30/1351586830.db2.gz SRUHEMBENZDMDA-VXGBXAGGSA-N -1 1 340.445 2.440 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN(Cc1cnn(C)c1)CC(C)C ZINC001608007620 1351602883 /nfs/dbraw/zinc/60/28/83/1351602883.db2.gz ZIIVVEVJLIDOSP-UHFFFAOYSA-N -1 1 347.463 2.366 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001608328338 1351671233 /nfs/dbraw/zinc/67/12/33/1351671233.db2.gz RFQFEQCMUYLGMJ-KDURUIRLSA-N -1 1 344.411 2.216 20 0 EEADMM O=C([O-])c1ccc(CC(=O)NCc2nc3ccc(F)cc3[nH]2)cc1 ZINC001608359039 1351678350 /nfs/dbraw/zinc/67/83/50/1351678350.db2.gz DUHJRPAOWGLRQH-UHFFFAOYSA-N -1 1 327.315 2.259 20 0 EEADMM Cc1cc([N-]S(=O)(=O)C2CCOCC2)ncc1Br ZINC000094064166 1357613994 /nfs/dbraw/zinc/61/39/94/1357613994.db2.gz JXZGSDXXJKTXMV-UHFFFAOYSA-N -1 1 335.223 2.073 20 0 EEADMM C[C@@H](O)c1ncc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)s1 ZINC001625596202 1352452689 /nfs/dbraw/zinc/45/26/89/1352452689.db2.gz SEVUVBDELUJNFB-SNVBAGLBSA-N -1 1 329.385 2.089 20 0 EEADMM CCCCn1ncc(C(=O)OCC(=O)c2ccc([O-])cc2O)c1C ZINC001645618932 1352792377 /nfs/dbraw/zinc/79/23/77/1352792377.db2.gz QBUMOMGAWNOGSX-UHFFFAOYSA-N -1 1 332.356 2.443 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000062179828 1352868284 /nfs/dbraw/zinc/86/82/84/1352868284.db2.gz YXDFGDXGHZSZKP-UHFFFAOYSA-N -1 1 332.337 2.125 20 0 EEADMM Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001646689288 1352924243 /nfs/dbraw/zinc/92/42/43/1352924243.db2.gz NXTBACOSTOZEMG-TXEJJXNPSA-N -1 1 326.404 2.091 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CC[C@H]1CCO[C@@H](C)C1 ZINC001647137756 1353158964 /nfs/dbraw/zinc/15/89/64/1353158964.db2.gz WHIJGMIQNQVVNU-QWRGUYRKSA-N -1 1 349.399 2.457 20 0 EEADMM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccncc1Br ZINC001647409605 1353266859 /nfs/dbraw/zinc/26/68/59/1353266859.db2.gz KEFLUUUTAWBKDW-MRVPVSSYSA-N -1 1 327.100 2.339 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCc2cc(O)ccc2C1 ZINC001647625001 1353352199 /nfs/dbraw/zinc/35/21/99/1353352199.db2.gz FFTXSQMQHITPPP-UHFFFAOYSA-N -1 1 331.397 2.117 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2OC)s1 ZINC001649706872 1353566304 /nfs/dbraw/zinc/56/63/04/1353566304.db2.gz IASTURSZULDBMW-UHFFFAOYSA-N -1 1 348.396 2.471 20 0 EEADMM O=C(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)c1ccc([O-])cc1O ZINC001649755475 1353586664 /nfs/dbraw/zinc/58/66/64/1353586664.db2.gz FGXPIOYETCYMKZ-UHFFFAOYSA-N -1 1 329.308 2.116 20 0 EEADMM CC[C@@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCCCO1 ZINC001650492841 1353951797 /nfs/dbraw/zinc/95/17/97/1353951797.db2.gz BBBYNDBAHQXURQ-OLZOCXBDSA-N -1 1 346.435 2.322 20 0 EEADMM CCOC(=O)c1cnn2ccc(NC(=O)c3ccc(O)cc3[O-])cc12 ZINC001652700916 1354099987 /nfs/dbraw/zinc/09/99/87/1354099987.db2.gz RDSFWXNHEDMFOL-UHFFFAOYSA-N -1 1 341.323 2.175 20 0 EEADMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc4ncoc4c3)ccc2N1 ZINC000074838436 1354368754 /nfs/dbraw/zinc/36/87/54/1354368754.db2.gz UASKALMYQADZDN-UHFFFAOYSA-N -1 1 329.337 2.123 20 0 EEADMM Cc1nc2c(cccc2NC(=O)N2CCC(c3nn[n-]n3)CC2)o1 ZINC001669993660 1356257943 /nfs/dbraw/zinc/25/79/43/1356257943.db2.gz PALPDDLWDQEDQR-UHFFFAOYSA-N -1 1 327.348 2.061 20 0 EEADMM Cc1ccccc1C(=O)NC[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001388863490 1387763288 /nfs/dbraw/zinc/76/32/88/1387763288.db2.gz UAFUWWLFPWTASV-OAHLLOKOSA-N -1 1 341.411 2.280 20 0 EEADMM NS(=O)(=O)c1cc([N-]C(=O)c2nc3ccccc3s2)cs1 ZINC001649147912 1368087220 /nfs/dbraw/zinc/08/72/20/1368087220.db2.gz RLIJCKXQPKOBIN-UHFFFAOYSA-N -1 1 339.423 2.258 20 0 EEADMM COCCOc1cc(NC(=O)c2ncc(C(F)(F)F)[n-]2)ccn1 ZINC001188280749 1368293590 /nfs/dbraw/zinc/29/35/90/1368293590.db2.gz LAHSASKSUWFJOS-UHFFFAOYSA-N -1 1 330.266 2.101 20 0 EEADMM COCCOc1cc(NC(=O)c2nc(C(F)(F)F)c[n-]2)ccn1 ZINC001188280749 1368293595 /nfs/dbraw/zinc/29/35/95/1368293595.db2.gz LAHSASKSUWFJOS-UHFFFAOYSA-N -1 1 330.266 2.101 20 0 EEADMM CN1CCc2cc(NC(=O)c3cc([O-])cnc3Cl)ccc2C1=O ZINC001195306186 1368516467 /nfs/dbraw/zinc/51/64/67/1368516467.db2.gz ODTNVZJXKGHPBC-UHFFFAOYSA-N -1 1 331.759 2.321 20 0 EEADMM COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cc([O-])cnc1Cl)C2 ZINC001195314378 1368518054 /nfs/dbraw/zinc/51/80/54/1368518054.db2.gz DVBPVVGKZNCUNV-SNVBAGLBSA-N -1 1 348.786 2.430 20 0 EEADMM COC(=O)c1cccc(C)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779589 1368646020 /nfs/dbraw/zinc/64/60/20/1368646020.db2.gz RZHCWLGAJFEWSK-UHFFFAOYSA-N -1 1 349.364 2.281 20 0 EEADMM C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)Cc1n[n-]c(=O)o1 ZINC000852187883 1369252935 /nfs/dbraw/zinc/25/29/35/1369252935.db2.gz CZLHLLDFICGYLD-LBPRGKRZSA-N -1 1 340.424 2.244 20 0 EEADMM CC1(C)C[C@H](C(=O)N2CCC[C@@H]2c2nn[n-]n2)c2ccccc2O1 ZINC000900390133 1369923418 /nfs/dbraw/zinc/92/34/18/1369923418.db2.gz LGCDIVRJYNQEOQ-QWHCGFSZSA-N -1 1 327.388 2.208 20 0 EEADMM CCCCC(=O)N1CCC[C@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001069711413 1370231424 /nfs/dbraw/zinc/23/14/24/1370231424.db2.gz QVZLBVXOFNZVFC-IBGZPJMESA-N -1 1 345.443 2.432 20 0 EEADMM CCC1(C(=O)N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)CCCC1 ZINC001071952567 1370585907 /nfs/dbraw/zinc/58/59/07/1370585907.db2.gz OAYHIZLRGXDQBG-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)cc1F ZINC000782533218 1371308323 /nfs/dbraw/zinc/30/83/23/1371308323.db2.gz GMMGAKXBZYWCSQ-UHFFFAOYSA-N -1 1 349.387 2.376 20 0 EEADMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)cc2Cl)CCO1 ZINC001116462265 1371727539 /nfs/dbraw/zinc/72/75/39/1371727539.db2.gz OKRFKMGCJBRYJQ-BDAKNGLRSA-N -1 1 339.244 2.482 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCc3ncncc3C2)c1 ZINC000829964526 1372302971 /nfs/dbraw/zinc/30/29/71/1372302971.db2.gz ZYOTVYVHPAPKNC-OAHLLOKOSA-N -1 1 340.379 2.276 20 0 EEADMM O=S(=O)([N-][C@H]1Cc2ccc(Cl)cc2C1)c1c[nH]nc1Cl ZINC000831392840 1372377251 /nfs/dbraw/zinc/37/72/51/1372377251.db2.gz KIFHKGMYUVUIGE-JTQLQIEISA-N -1 1 332.212 2.162 20 0 EEADMM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1ccccc1C(=O)[O-] ZINC001140502710 1372589279 /nfs/dbraw/zinc/58/92/79/1372589279.db2.gz BBMHCQPEDPYHAG-AWEZNQCLSA-N -1 1 348.399 2.401 20 0 EEADMM CCOC[C@H]1Cn2nccc2CN(Cc2ccccc2C(=O)[O-])C1 ZINC001140502332 1372589736 /nfs/dbraw/zinc/58/97/36/1372589736.db2.gz FOXMDRUNUXKYJG-CQSZACIVSA-N -1 1 329.400 2.250 20 0 EEADMM [O-]c1c(F)cc(CN2CCc3onc(Cn4cccn4)c3C2)cc1F ZINC001140990030 1372731266 /nfs/dbraw/zinc/73/12/66/1372731266.db2.gz IGHYPYHQXARWFO-UHFFFAOYSA-N -1 1 346.337 2.462 20 0 EEADMM CC[C@H]1CN(CC)CCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839785827 1372917453 /nfs/dbraw/zinc/91/74/53/1372917453.db2.gz KUKVQNBWSHXUSU-LBPRGKRZSA-N -1 1 346.456 2.180 20 0 EEADMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc([O-])cn3)ccc2NC1=O ZINC001361989819 1373358384 /nfs/dbraw/zinc/35/83/84/1373358384.db2.gz DAADIOPQRVAMHS-MEBBXXQBSA-N -1 1 341.367 2.388 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1sccc1Cl ZINC001363931624 1373558157 /nfs/dbraw/zinc/55/81/57/1373558157.db2.gz FRKRDWSXZYOKTG-SNVBAGLBSA-N -1 1 347.845 2.120 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]Cc2cccc3c2OC(F)(F)O3)sn1 ZINC001365447543 1373721269 /nfs/dbraw/zinc/72/12/69/1373721269.db2.gz TXVGKXCNKKTKDL-UHFFFAOYSA-N -1 1 348.352 2.252 20 0 EEADMM CCC(CC)CC(=O)N[C@H](C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001383309311 1382451606 /nfs/dbraw/zinc/45/16/06/1382451606.db2.gz GZYAPAIENZYBLX-GFCCVEGCSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001383414376 1382475316 /nfs/dbraw/zinc/47/53/16/1382475316.db2.gz ZHBBZGVIRSXDGN-HIFPTAJRSA-N -1 1 333.432 2.189 20 0 EEADMM Cc1occc1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001383527442 1382535309 /nfs/dbraw/zinc/53/53/09/1382535309.db2.gz COVZHPIRUHCEAG-WDEREUQCSA-N -1 1 331.372 2.016 20 0 EEADMM CCCC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC001384094770 1382794349 /nfs/dbraw/zinc/79/43/49/1382794349.db2.gz NUILMNPBKYCTBV-STQMWFEESA-N -1 1 333.432 2.333 20 0 EEADMM CCC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1C ZINC001385072101 1385359294 /nfs/dbraw/zinc/35/92/94/1385359294.db2.gz UZVYWAKVUINLBM-OLZOCXBDSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001391241737 1389161360 /nfs/dbraw/zinc/16/13/60/1389161360.db2.gz IYQGKHUZXZXGKA-UONOGXRCSA-N -1 1 347.459 2.486 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001393309312 1390401829 /nfs/dbraw/zinc/40/18/29/1390401829.db2.gz SOOWWTBXHFVKGF-YVEFUNNKSA-N -1 1 337.395 2.036 20 0 EEADMM C[C@H](CC1CCCCC1)C(=O)NCC1(NCc2n[nH]c(=O)[n-]2)CCC1 ZINC001393561213 1390472147 /nfs/dbraw/zinc/47/21/47/1390472147.db2.gz BSEHDDRBNCFDKD-CYBMUJFWSA-N -1 1 349.479 2.245 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)CC1CCCC1)C1CC1 ZINC001395485649 1390827755 /nfs/dbraw/zinc/82/77/55/1390827755.db2.gz JQZRXJLLONHDBQ-HNNXBMFYSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@H](C)CC(=O)NC1CC(N(C)C(=O)c2ncccc2[O-])C1 ZINC001396187206 1390919753 /nfs/dbraw/zinc/91/97/53/1390919753.db2.gz ITVGMKLIRBCQED-IYXRBSQSSA-N -1 1 333.432 2.333 20 0 EEADMM CCC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001397308436 1391158015 /nfs/dbraw/zinc/15/80/15/1391158015.db2.gz NGGWCZRXEXPWOE-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@H](CC)C(=O)N1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001398169406 1391766709 /nfs/dbraw/zinc/76/67/09/1391766709.db2.gz IXHYIHPDKQQXNP-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(C)CC[C@H](C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)C1 ZINC001398314763 1392167657 /nfs/dbraw/zinc/16/76/57/1392167657.db2.gz XBAQIAAJONTTSV-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1)C1CCCC1 ZINC001398315501 1392169044 /nfs/dbraw/zinc/16/90/44/1392169044.db2.gz ZRCLYCLCWMJPFZ-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCC[C@@](C)(CC)C(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001398755885 1394176135 /nfs/dbraw/zinc/17/61/35/1394176135.db2.gz XZWAPGCEYABNIH-GOSISDBHSA-N -1 1 333.432 2.192 20 0 EEADMM CCCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001399527967 1395205623 /nfs/dbraw/zinc/20/56/23/1395205623.db2.gz DPMNLODHVDWCRB-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001399745397 1395473267 /nfs/dbraw/zinc/47/32/67/1395473267.db2.gz CVYJDZHAPFMENU-UONOGXRCSA-N -1 1 333.432 2.238 20 0 EEADMM CCN(CCNCc1n[nH]c(=O)[n-]1)C(=O)c1cccc(C(C)(C)C)c1 ZINC001754073524 1406834686 /nfs/dbraw/zinc/83/46/86/1406834686.db2.gz RESNJZXOGJCCSN-UHFFFAOYSA-N -1 1 345.447 2.060 20 0 EEADMM CC1(C)CCC(CC(=O)N[C@H](CNCc2n[nH]c(=O)[n-]2)C2CC2)CC1 ZINC001401872480 1397632073 /nfs/dbraw/zinc/63/20/73/1397632073.db2.gz LNWYPOKFRFVHAE-CQSZACIVSA-N -1 1 349.479 2.101 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H](CCNCC(F)(F)C(F)F)C1 ZINC001754913074 1406986700 /nfs/dbraw/zinc/98/67/00/1406986700.db2.gz RFHUIIRDGFTKMG-JTQLQIEISA-N -1 1 349.328 2.129 20 0 EEADMM CCCC[C@H](CNCc1ncc(C)o1)NC(=O)c1ncccc1[O-] ZINC001403282343 1399731805 /nfs/dbraw/zinc/73/18/05/1399731805.db2.gz SPAWKOYDNAQEAP-CYBMUJFWSA-N -1 1 332.404 2.162 20 0 EEADMM CN(C(=O)CC(C)(C)C1CC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001427456139 1402424664 /nfs/dbraw/zinc/42/46/64/1402424664.db2.gz WUVRVEOTPVLDSX-CQSZACIVSA-N -1 1 345.443 2.286 20 0 EEADMM CCC[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001428600271 1402764225 /nfs/dbraw/zinc/76/42/25/1402764225.db2.gz PCKAEOXQPRDVQO-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001433865134 1403440006 /nfs/dbraw/zinc/44/00/06/1403440006.db2.gz LDPVIXIJJOQZDT-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(CC)(NC(=O)Cc1ccccc1OC(C)C)c1nn[n-]n1 ZINC001433968574 1403451324 /nfs/dbraw/zinc/45/13/24/1403451324.db2.gz QVMPRTVLNBCGLO-UHFFFAOYSA-N -1 1 331.420 2.361 20 0 EEADMM Cc1noc([C@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001433968497 1403451332 /nfs/dbraw/zinc/45/13/32/1403451332.db2.gz JKKQMLBQPOVWRD-GFCCVEGCSA-N -1 1 329.360 2.118 20 0 EEADMM CC(C)OC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001574297289 1403519866 /nfs/dbraw/zinc/51/98/66/1403519866.db2.gz RZLYXLUODDANKT-UHFFFAOYSA-N -1 1 344.419 2.119 20 0 EEADMM CC(C)OC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574297289 1403519869 /nfs/dbraw/zinc/51/98/69/1403519869.db2.gz RZLYXLUODDANKT-UHFFFAOYSA-N -1 1 344.419 2.119 20 0 EEADMM CC[C@@H]1C[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001578440200 1403756595 /nfs/dbraw/zinc/75/65/95/1403756595.db2.gz QAAJQFAMJYCDFJ-SFYZADRCSA-N -1 1 340.309 2.056 20 0 EEADMM C[S@@](=N)(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001580151885 1403838012 /nfs/dbraw/zinc/83/80/12/1403838012.db2.gz DQULYFJWKCJPIJ-HSZRJFAPSA-N -1 1 348.413 2.216 20 0 EEADMM CCC1CN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C1 ZINC001590522401 1403883369 /nfs/dbraw/zinc/88/33/69/1403883369.db2.gz GYTKGIZYFDTLNT-UHFFFAOYSA-N -1 1 349.441 2.112 20 0 EEADMM CCCC[C@@H](SCc1nc(-c2nnn[n-]2)cs1)C(=O)OC ZINC001590581401 1403887959 /nfs/dbraw/zinc/88/79/59/1403887959.db2.gz BLWMGQBCAGOPHH-SECBINFHSA-N -1 1 327.435 2.288 20 0 EEADMM CCCC[C@@H](SCc1nc(-c2nn[n-]n2)cs1)C(=O)OC ZINC001590581401 1403887960 /nfs/dbraw/zinc/88/79/60/1403887960.db2.gz BLWMGQBCAGOPHH-SECBINFHSA-N -1 1 327.435 2.288 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NC(C)(C)CCC(=O)OC(C)(C)C)n1 ZINC001591890617 1403970507 /nfs/dbraw/zinc/97/05/07/1403970507.db2.gz IUUKDYFJYKFRLB-UHFFFAOYSA-N -1 1 347.423 2.278 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NC(C)(C)CCC(=O)OC(C)(C)C)n1 ZINC001591890617 1403970510 /nfs/dbraw/zinc/97/05/10/1403970510.db2.gz IUUKDYFJYKFRLB-UHFFFAOYSA-N -1 1 347.423 2.278 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2cnn(CC3CCC3)c2)n1 ZINC001591890569 1403970547 /nfs/dbraw/zinc/97/05/47/1403970547.db2.gz BXRSNSGHCIBCMC-NSHDSACASA-N -1 1 339.407 2.135 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2cnn(CC3CCC3)c2)n1 ZINC001591890569 1403970573 /nfs/dbraw/zinc/97/05/73/1403970573.db2.gz BXRSNSGHCIBCMC-NSHDSACASA-N -1 1 339.407 2.135 20 0 EEADMM Cc1cc(-n2cccn2)ccc1CNc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001592395938 1404025808 /nfs/dbraw/zinc/02/58/08/1404025808.db2.gz RAJNRCDPIGJIRI-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1cc(-n2cccn2)ccc1CNc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001592395938 1404025815 /nfs/dbraw/zinc/02/58/15/1404025815.db2.gz RAJNRCDPIGJIRI-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Cc2ccccc2)c1-c1nnn[n-]1 ZINC001592482067 1404701445 /nfs/dbraw/zinc/70/14/45/1404701445.db2.gz QMXYJRDBGVOISY-SECBINFHSA-N -1 1 328.401 2.449 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Cc2ccccc2)c1-c1nn[n-]n1 ZINC001592482067 1404701452 /nfs/dbraw/zinc/70/14/52/1404701452.db2.gz QMXYJRDBGVOISY-SECBINFHSA-N -1 1 328.401 2.449 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593024836 1404734242 /nfs/dbraw/zinc/73/42/42/1404734242.db2.gz RKBGAVUJAYMVGH-UHFFFAOYSA-N -1 1 337.358 2.467 20 0 EEADMM O=C(NCC1(c2ccccc2)CC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593024836 1404734246 /nfs/dbraw/zinc/73/42/46/1404734246.db2.gz RKBGAVUJAYMVGH-UHFFFAOYSA-N -1 1 337.358 2.467 20 0 EEADMM CCOc1ccc2nc(S[C@H]3CCN(CCC(=O)[O-])C3=O)[nH]c2c1 ZINC001605702232 1404750077 /nfs/dbraw/zinc/75/00/77/1404750077.db2.gz GOHHYJRYAPSIIS-ZDUSSCGKSA-N -1 1 349.412 2.129 20 0 EEADMM Cc1nc(-c2cccc(NCc3nc(-c4nnn[n-]4)cs3)c2)n[nH]1 ZINC001606018044 1404756251 /nfs/dbraw/zinc/75/62/51/1404756251.db2.gz QGDMUKXKHWITTQ-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1nc(-c2cccc(NCc3nc(-c4nn[n-]n4)cs3)c2)n[nH]1 ZINC001606018044 1404756253 /nfs/dbraw/zinc/75/62/53/1404756253.db2.gz QGDMUKXKHWITTQ-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1nc(NC[C@H](O)c2ccc3ccccc3c2)cc(-c2nnn[n-]2)n1 ZINC001606068210 1404761420 /nfs/dbraw/zinc/76/14/20/1404761420.db2.gz XWQZQPGNZXTHTQ-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1nc(NC[C@H](O)c2ccc3ccccc3c2)cc(-c2nn[n-]n2)n1 ZINC001606068210 1404761422 /nfs/dbraw/zinc/76/14/22/1404761422.db2.gz XWQZQPGNZXTHTQ-INIZCTEOSA-N -1 1 347.382 2.264 20 0 EEADMM Cc1nc(NCc2ccccc2Br)cc(-c2nnn[n-]2)n1 ZINC001606075869 1404763115 /nfs/dbraw/zinc/76/31/15/1404763115.db2.gz FFUTZODTEAFAIP-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1nc(NCc2ccccc2Br)cc(-c2nn[n-]n2)n1 ZINC001606075869 1404763122 /nfs/dbraw/zinc/76/31/22/1404763122.db2.gz FFUTZODTEAFAIP-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM NC(=O)CCc1ccc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001606415965 1404808851 /nfs/dbraw/zinc/80/88/51/1404808851.db2.gz NNJSNJBWQBOBPN-UHFFFAOYSA-N -1 1 349.807 2.138 20 0 EEADMM NC(=O)CCc1ccc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001606415965 1404808856 /nfs/dbraw/zinc/80/88/56/1404808856.db2.gz NNJSNJBWQBOBPN-UHFFFAOYSA-N -1 1 349.807 2.138 20 0 EEADMM CCOc1nccc(C)c1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001771673157 1406078278 /nfs/dbraw/zinc/07/82/78/1406078278.db2.gz IEBNPNKVHWIZLK-UHFFFAOYSA-N -1 1 331.324 2.240 20 0 EEADMM CC(C)=CC(=O)N[C@H](C)[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001755949757 1408022700 /nfs/dbraw/zinc/02/27/00/1408022700.db2.gz OBFVGDVWVKKKPU-NEPJUHHUSA-N -1 1 348.447 2.203 20 0 EEADMM CC(=O)NCCCC[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001756924355 1409511063 /nfs/dbraw/zinc/51/10/63/1409511063.db2.gz WXVFHCCMFFCYKG-LLVKDONJSA-N -1 1 336.436 2.039 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1CCCc2nn[nH]c21 ZINC001771794914 1409952181 /nfs/dbraw/zinc/95/21/81/1409952181.db2.gz CUKSLRVLZZPDQS-MRVPVSSYSA-N -1 1 337.177 2.331 20 0 EEADMM CC(C)Cn1c(Cc2nnn[n-]2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001772332555 1410135701 /nfs/dbraw/zinc/13/57/01/1410135701.db2.gz ZNDVLBJABBWQEJ-CYBMUJFWSA-N -1 1 346.483 2.301 20 0 EEADMM CC(C)Cn1c(Cc2nn[n-]n2)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001772332555 1410135705 /nfs/dbraw/zinc/13/57/05/1410135705.db2.gz ZNDVLBJABBWQEJ-CYBMUJFWSA-N -1 1 346.483 2.301 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000854634620 1410391878 /nfs/dbraw/zinc/39/18/78/1410391878.db2.gz FPXYBFPCLWYSKA-GHMZBOCLSA-N -1 1 338.408 2.446 20 0 EEADMM NC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2[O-])n2c1CCCC2 ZINC000864325344 1410458431 /nfs/dbraw/zinc/45/84/31/1410458431.db2.gz SSZJFNQMHZUEMB-UHFFFAOYSA-N -1 1 347.802 2.212 20 0 EEADMM COC(=O)[N-]C(=S)N(c1cccc(OC)n1)c1ccccc1N ZINC001211303616 759362159 /nfs/dbraw/zinc/36/21/59/759362159.db2.gz YLHGOTKSRVMKCM-UHFFFAOYSA-N -1 1 332.385 2.451 20 0 EEADMM CN(C)[C@@H](CNC(=O)NC1(C(=O)[O-])CCCC1)c1ccsc1 ZINC000780384746 761469525 /nfs/dbraw/zinc/46/95/25/761469525.db2.gz KXDNIJIEAWMEIS-LBPRGKRZSA-N -1 1 325.434 2.047 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1F ZINC000918883974 769452800 /nfs/dbraw/zinc/45/28/00/769452800.db2.gz TWYLIFVEHFCYAA-SVGQVSJJSA-N -1 1 331.262 2.203 20 0 EEADMM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1F ZINC000033655681 769495121 /nfs/dbraw/zinc/49/51/21/769495121.db2.gz IIIZSWKKJSWLTD-LLVKDONJSA-N -1 1 331.315 2.116 20 0 EEADMM Cc1cscc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000979610676 770674542 /nfs/dbraw/zinc/67/45/42/770674542.db2.gz DRFOFRKSOUJZRU-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM CC[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979669958 770819216 /nfs/dbraw/zinc/81/92/16/770819216.db2.gz AHWYTFMRSXZPJD-AJNGGQMLSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979670423 770821583 /nfs/dbraw/zinc/82/15/83/770821583.db2.gz YBFVZWAOUVIQNS-QGDIXAPHSA-N -1 1 345.443 2.094 20 0 EEADMM O=C(NC[C@H]1CCCN1Cc1cc(F)cc(F)c1)c1ncccc1[O-] ZINC001027843672 773409710 /nfs/dbraw/zinc/40/97/10/773409710.db2.gz DWCHTAJODIWCCN-OAHLLOKOSA-N -1 1 347.365 2.460 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1ccncc1Cl)c1ncccc1[O-] ZINC001027844522 773436939 /nfs/dbraw/zinc/43/69/39/773436939.db2.gz UJEXFYNKMHDRNE-ZDUSSCGKSA-N -1 1 346.818 2.230 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC000942758613 783147292 /nfs/dbraw/zinc/14/72/92/783147292.db2.gz PJTJUXRVAMVSJT-ZDUSSCGKSA-N -1 1 333.432 2.286 20 0 EEADMM CC(C)CCO[C@@H](C)C(=O)N[N-]C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000069126193 775246060 /nfs/dbraw/zinc/24/60/60/775246060.db2.gz FJJNHDFOZXHNQH-ZDUSSCGKSA-N -1 1 344.415 2.289 20 0 EEADMM CN1CCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2)CC1 ZINC000846709461 790491794 /nfs/dbraw/zinc/49/17/94/790491794.db2.gz GEOFLGYZSKXMSS-IBGZPJMESA-N -1 1 343.427 2.188 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H](CCNc2ncc(F)cn2)C1 ZINC001063272423 790537014 /nfs/dbraw/zinc/53/70/14/790537014.db2.gz POGSVLZGCPUYCL-LBPRGKRZSA-N -1 1 345.378 2.071 20 0 EEADMM CC1=CC[C@](C)(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000940134913 778144532 /nfs/dbraw/zinc/14/45/32/778144532.db2.gz URHNEJVYPQCSIK-KUHUBIRLSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(F)ccc1COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000182436389 778983400 /nfs/dbraw/zinc/98/34/00/778983400.db2.gz NTEXDZCCOXITDO-UHFFFAOYSA-N -1 1 343.358 2.373 20 0 EEADMM CC1(C)C(C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1(C)C ZINC000940626016 778996848 /nfs/dbraw/zinc/99/68/48/778996848.db2.gz OWRSNTLQRVRQAM-UHFFFAOYSA-N -1 1 345.443 2.144 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940831455 779375237 /nfs/dbraw/zinc/37/52/37/779375237.db2.gz BFMFGDHUEWYBOZ-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CCC[C@H]1CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832909 779378781 /nfs/dbraw/zinc/37/87/81/779378781.db2.gz PTGQJZONBCIPPQ-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)N2CCCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000940832956 779378861 /nfs/dbraw/zinc/37/88/61/779378861.db2.gz RRMBLUZGDKNRNV-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@@H]1CC=CC[C@H]1C ZINC000067019267 779451856 /nfs/dbraw/zinc/45/18/56/779451856.db2.gz NLDMCEUEQRERQW-RISCZKNCSA-N -1 1 329.400 2.327 20 0 EEADMM O=C(CCOc1cccc(F)c1)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070744 780185633 /nfs/dbraw/zinc/18/56/33/780185633.db2.gz YJLDBIVUACEVOL-UHFFFAOYSA-N -1 1 336.392 2.500 20 0 EEADMM COc1cc(C)sc1C(=O)[N-]NC(=O)COc1ccccc1F ZINC000071095022 780617588 /nfs/dbraw/zinc/61/75/88/780617588.db2.gz IXQAPZQWKDRFSG-UHFFFAOYSA-N -1 1 338.360 2.044 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1Cc1nc(C)oc1C ZINC001087552778 781815653 /nfs/dbraw/zinc/81/56/53/781815653.db2.gz YDXLTVWRWRUSBH-DZGCQCFKSA-N -1 1 344.415 2.175 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCN1Cc1ccccc1 ZINC000704731741 783871419 /nfs/dbraw/zinc/87/14/19/783871419.db2.gz JOXALUXVKQBAMM-KURKYZTESA-N -1 1 344.455 2.466 20 0 EEADMM COCCCNC(=S)Nc1cc(OC)cc(Br)c1[O-] ZINC001245610610 783872696 /nfs/dbraw/zinc/87/26/96/783872696.db2.gz GQZVOHTUGKXKKM-UHFFFAOYSA-N -1 1 349.250 2.486 20 0 EEADMM COC(=O)[C@H]1[C@@H]2CN(C(=O)c3c([O-])cnc4ccc(Cl)cc43)C[C@@H]21 ZINC000816960995 784383112 /nfs/dbraw/zinc/38/31/12/784383112.db2.gz SNSUVTFMPHQOIF-YABSGUDNSA-N -1 1 346.770 2.085 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000907345231 784541778 /nfs/dbraw/zinc/54/17/78/784541778.db2.gz ZUKDVMDCHJCJAG-CQSZACIVSA-N -1 1 343.358 2.492 20 0 EEADMM O=C(c1ccc2c(c1)CCC=C2)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479060 784648718 /nfs/dbraw/zinc/64/87/18/784648718.db2.gz IPZPEXSFVGEYDC-AWEZNQCLSA-N -1 1 327.413 2.089 20 0 EEADMM O=C(c1cc2c(cccc2F)s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478945 784685679 /nfs/dbraw/zinc/68/56/79/784685679.db2.gz YCSVNCSMZPGXAL-JTQLQIEISA-N -1 1 349.416 2.484 20 0 EEADMM O=C(C1CC(c2ccc(F)cc2)C1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479628 784686857 /nfs/dbraw/zinc/68/68/57/784686857.db2.gz GOFINVLGAQMMGL-ORHYLEIMSA-N -1 1 347.419 2.149 20 0 EEADMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1CCC1)C(F)(F)F ZINC000817489601 784793526 /nfs/dbraw/zinc/79/35/26/784793526.db2.gz AHAPSCIREHSADA-LBPRGKRZSA-N -1 1 326.318 2.423 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000908268572 785283820 /nfs/dbraw/zinc/28/38/20/785283820.db2.gz CCTAXYIGRZMHQP-CQSZACIVSA-N -1 1 343.383 2.474 20 0 EEADMM O=C(CC1CCCC1)N[C@@H]1CCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000946099997 785500613 /nfs/dbraw/zinc/50/06/13/785500613.db2.gz CPJOHBIAXIZVPE-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM Cn1ccc(-c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n[nH]2)c1 ZINC000908611150 785566394 /nfs/dbraw/zinc/56/63/94/785566394.db2.gz BGFKAUMAQSRCEL-UVBJJODRSA-N -1 1 342.399 2.273 20 0 EEADMM CCn1nc(C)c(CNC(=O)c2ccc(Br)cc2[O-])n1 ZINC000819598937 785611604 /nfs/dbraw/zinc/61/16/04/785611604.db2.gz XWMYWSZKOSTIBU-UHFFFAOYSA-N -1 1 339.193 2.005 20 0 EEADMM O=C([O-])CN(C(=O)NC[C@H](c1ccco1)N1CCCC1)C1CCC1 ZINC000908747611 785687028 /nfs/dbraw/zinc/68/70/28/785687028.db2.gz NTDKLYIFOWSUKH-CQSZACIVSA-N -1 1 335.404 2.065 20 0 EEADMM CC[C@@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000908747272 785687137 /nfs/dbraw/zinc/68/71/37/785687137.db2.gz KCLBCBYJZHCRHK-KGLIPLIRSA-N -1 1 337.420 2.311 20 0 EEADMM CC[C@H](C)C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)[O-] ZINC000908809796 785741503 /nfs/dbraw/zinc/74/15/03/785741503.db2.gz ZMEBUOQLSSVFIB-WMLDXEAASA-N -1 1 347.459 2.233 20 0 EEADMM CC[C@H](C)C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)C(=O)[O-] ZINC000908809796 785741510 /nfs/dbraw/zinc/74/15/10/785741510.db2.gz ZMEBUOQLSSVFIB-WMLDXEAASA-N -1 1 347.459 2.233 20 0 EEADMM CC[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000908815653 785750695 /nfs/dbraw/zinc/75/06/95/785750695.db2.gz DUSPQCCTIKSEDE-XHDPSFHLSA-N -1 1 340.370 2.329 20 0 EEADMM CCCCCC[C@](C)(NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)[O-] ZINC000908889021 785829993 /nfs/dbraw/zinc/82/99/93/785829993.db2.gz KJSNIAIWZBHFBH-DYVFJYSZSA-N -1 1 325.453 2.336 20 0 EEADMM CN(CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)[C@H]1CCSC1 ZINC000908936239 785859415 /nfs/dbraw/zinc/85/94/15/785859415.db2.gz IHPGPUHSCHTSRN-GJZGRUSLSA-N -1 1 336.457 2.146 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)[C@H]1CCc2nc[nH]c2C1)c1cccc(F)c1 ZINC000909683756 786165909 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O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC=CCCC1 ZINC001085241812 800276028 /nfs/dbraw/zinc/27/60/28/800276028.db2.gz OZKFTFRERBOFNM-RBSFLKMASA-N -1 1 347.463 2.164 20 0 EEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1C1OCCO1 ZINC000888437024 800360040 /nfs/dbraw/zinc/36/00/40/800360040.db2.gz ITHOSVIQQKUWBI-NSHDSACASA-N -1 1 342.189 2.132 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)COC(C)(C)C)c1ccccc1N ZINC001180323739 800379597 /nfs/dbraw/zinc/37/95/97/800379597.db2.gz XMBWZSNNTCBXMR-UHFFFAOYSA-N -1 1 339.417 2.058 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)COC(C)(C)C)c1ccccc1N ZINC001180323739 800379603 /nfs/dbraw/zinc/37/96/03/800379603.db2.gz XMBWZSNNTCBXMR-UHFFFAOYSA-N -1 1 339.417 2.058 20 0 EEADMM O=C(NC[C@H]1CCCN1c1ncnc2ccccc21)c1ncccc1[O-] ZINC001061343834 800436197 /nfs/dbraw/zinc/43/61/97/800436197.db2.gz NEIUYJDBABFYAB-CYBMUJFWSA-N -1 1 349.394 2.129 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1c([O-])cccc1Cl)N1CCOCC1 ZINC000144758355 800479309 /nfs/dbraw/zinc/47/93/09/800479309.db2.gz AEJLQJFAGNZJDV-CYBMUJFWSA-N -1 1 326.824 2.132 20 0 EEADMM COC(=O)c1ccccc1CCC(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001181157041 800693937 /nfs/dbraw/zinc/69/39/37/800693937.db2.gz TUEHCRKFYLOUNT-UHFFFAOYSA-N -1 1 347.396 2.262 20 0 EEADMM CC(C)c1ocnc1CN1CC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001085562392 800788129 /nfs/dbraw/zinc/78/81/29/800788129.db2.gz KKUUAFUARCCYNF-CYBMUJFWSA-N -1 1 344.415 2.245 20 0 EEADMM CN(C[C@@H]1CCN1Cc1c(F)cccc1F)C(=O)c1ncccc1[O-] ZINC001085562743 800789386 /nfs/dbraw/zinc/78/93/86/800789386.db2.gz TUSRPDPSJQSYSG-LBPRGKRZSA-N -1 1 347.365 2.412 20 0 EEADMM Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccsc3)C2)c1[O-] ZINC001033017801 800804145 /nfs/dbraw/zinc/80/41/45/800804145.db2.gz XDGYJQOAYMARNI-CQSZACIVSA-N -1 1 348.472 2.264 20 0 EEADMM COc1ccc(COCC(=O)Nc2cc(=O)[n-]c(SC)n2)cc1 ZINC001181749400 800892077 /nfs/dbraw/zinc/89/20/77/800892077.db2.gz YSMLRPZCRJVEJY-UHFFFAOYSA-N -1 1 335.385 2.068 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)C2(C)CC2)CC1 ZINC001004076834 800919801 /nfs/dbraw/zinc/91/98/01/800919801.db2.gz KUYYOCGFIQTFLD-UHFFFAOYSA-N -1 1 331.416 2.087 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033037544 801024541 /nfs/dbraw/zinc/02/45/41/801024541.db2.gz ZMZSLENWMGILTG-HNNXBMFYSA-N -1 1 343.402 2.315 20 0 EEADMM CN(C)c1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000786795601 806899590 /nfs/dbraw/zinc/89/95/90/806899590.db2.gz OTVJLUQPVZHFHI-UHFFFAOYSA-N -1 1 326.400 2.348 20 0 EEADMM C[C@@H](CC(=O)Nc1nc(Br)ccc1[O-])n1cccn1 ZINC000819510240 801389953 /nfs/dbraw/zinc/38/99/53/801389953.db2.gz MKRUXEJDBWWFSE-QMMMGPOBSA-N -1 1 325.166 2.336 20 0 EEADMM O=C(C[N-]C(=O)C(F)(F)OCC(F)(F)F)Cc1ccccc1 ZINC001183194024 801507895 /nfs/dbraw/zinc/50/78/95/801507895.db2.gz DSOHSSPWWXOJNQ-UHFFFAOYSA-N -1 1 325.233 2.086 20 0 EEADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C1CC(C)(C)C1 ZINC001004804930 802953029 /nfs/dbraw/zinc/95/30/29/802953029.db2.gz SDDLGLIDDCAVKI-JSGCOSHPSA-N -1 1 345.443 2.190 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H](C)NCc2nccs2)c1[O-] ZINC001004807702 802957083 /nfs/dbraw/zinc/95/70/83/802957083.db2.gz IGJXNTYBEOTYQP-PWSUYJOCSA-N -1 1 349.460 2.053 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000866991276 803705025 /nfs/dbraw/zinc/70/50/25/803705025.db2.gz IOFCAYLFTUSILP-RRFJBIMHSA-N -1 1 342.486 2.057 20 0 EEADMM Cc1cc(N(C)C[C@H](C)NC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001108932766 804702396 /nfs/dbraw/zinc/70/23/96/804702396.db2.gz DVWREUWEHXGHAG-ZDUSSCGKSA-N -1 1 343.431 2.264 20 0 EEADMM Cc1nnc([C@@H](C)OC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])o1 ZINC000787956218 807313028 /nfs/dbraw/zinc/31/30/28/807313028.db2.gz RUHLAGOSAUMKDL-MRVPVSSYSA-N -1 1 332.291 2.326 20 0 EEADMM CCc1cc(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n[nH]1 ZINC000789945193 808286889 /nfs/dbraw/zinc/28/68/89/808286889.db2.gz FCNPBKATINDRTG-UHFFFAOYSA-N -1 1 345.790 2.447 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCCCC1CCOCC1 ZINC000790644745 808862478 /nfs/dbraw/zinc/86/24/78/808862478.db2.gz DSOFMFIWLZNKGI-UHFFFAOYSA-N -1 1 347.415 2.344 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1nc2c(cccc2F)o1 ZINC001113575161 809273644 /nfs/dbraw/zinc/27/36/44/809273644.db2.gz OFRPDZKONXBJDV-SNVBAGLBSA-N -1 1 344.346 2.322 20 0 EEADMM CC(C)C(=O)Nc1cccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1 ZINC001170217214 809819216 /nfs/dbraw/zinc/81/92/16/809819216.db2.gz GFLCWBOGEKJELW-UHFFFAOYSA-N -1 1 328.332 2.054 20 0 EEADMM Cc1nc(SC(F)F)sc1CC(=O)[N-]OC[C@@H]1CCOC1 ZINC000793939892 810615546 /nfs/dbraw/zinc/61/55/46/810615546.db2.gz SUOLIESMAZUQMG-MRVPVSSYSA-N -1 1 338.401 2.393 20 0 EEADMM CCCC[C@H](CNc1nc(C)ns1)NC(=O)c1ncccc1[O-] ZINC001114241005 810663339 /nfs/dbraw/zinc/66/33/39/810663339.db2.gz KLUGJECXVFSWEY-LLVKDONJSA-N -1 1 335.433 2.348 20 0 EEADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C)c1ccco1 ZINC000805022734 811109728 /nfs/dbraw/zinc/10/97/28/811109728.db2.gz BZWZJYKZRXNHTL-JTQLQIEISA-N -1 1 330.793 2.302 20 0 EEADMM Cc1ccc(-n2cc([O-])c(C(=O)OCC(=O)c3cscn3)n2)cc1 ZINC000805553744 811347854 /nfs/dbraw/zinc/34/78/54/811347854.db2.gz ALLYFFBMAJVWNC-UHFFFAOYSA-N -1 1 343.364 2.383 20 0 EEADMM O=C1OCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCO4)cc21 ZINC000808124431 812465093 /nfs/dbraw/zinc/46/50/93/812465093.db2.gz SLYXTOBLYPPNQF-UHFFFAOYSA-N -1 1 345.376 2.483 20 0 EEADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc4cccnc4c3)nc2n1 ZINC001131558678 812969053 /nfs/dbraw/zinc/96/90/53/812969053.db2.gz LQSUOAIEUYQCFR-UHFFFAOYSA-N -1 1 348.366 2.171 20 0 EEADMM CCN(CC)[C@H](CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccco1 ZINC000780486043 939128317 /nfs/dbraw/zinc/12/83/17/939128317.db2.gz PAWJOLNGEUWYBN-CXAGYDPISA-N -1 1 337.420 2.215 20 0 EEADMM Cc1onc(CC(=O)N(C)C2CCCCCCC2)c1-c1nnn[n-]1 ZINC000826342955 947986364 /nfs/dbraw/zinc/98/63/64/947986364.db2.gz GVEPMSPQBHFWSH-UHFFFAOYSA-N -1 1 332.408 2.277 20 0 EEADMM Cc1onc(CC(=O)N(C)C2CCCCCCC2)c1-c1nn[n-]n1 ZINC000826342955 947986374 /nfs/dbraw/zinc/98/63/74/947986374.db2.gz GVEPMSPQBHFWSH-UHFFFAOYSA-N -1 1 332.408 2.277 20 0 EEADMM Cc1onc(CC(=O)N(Cc2cccs2)C(C)C)c1-c1nnn[n-]1 ZINC000826344015 948000590 /nfs/dbraw/zinc/00/05/90/948000590.db2.gz UZVXHJJXWQZGDW-UHFFFAOYSA-N -1 1 346.416 2.204 20 0 EEADMM Cc1onc(CC(=O)N(Cc2cccs2)C(C)C)c1-c1nn[n-]n1 ZINC000826344015 948000600 /nfs/dbraw/zinc/00/06/00/948000600.db2.gz UZVXHJJXWQZGDW-UHFFFAOYSA-N -1 1 346.416 2.204 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344281 948005382 /nfs/dbraw/zinc/00/53/82/948005382.db2.gz CGANTEALIXNQDA-LLVKDONJSA-N -1 1 332.408 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344281 948005390 /nfs/dbraw/zinc/00/53/90/948005390.db2.gz CGANTEALIXNQDA-LLVKDONJSA-N -1 1 332.408 2.133 20 0 EEADMM Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1C(F)F ZINC000826356394 948111492 /nfs/dbraw/zinc/11/14/92/948111492.db2.gz OSSUPPFOCXGVKO-UHFFFAOYSA-N -1 1 327.295 2.223 20 0 EEADMM Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1C(F)F ZINC000826356394 948111494 /nfs/dbraw/zinc/11/14/94/948111494.db2.gz OSSUPPFOCXGVKO-UHFFFAOYSA-N -1 1 327.295 2.223 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCc1ccc2ccccc2c1 ZINC000826395049 948203284 /nfs/dbraw/zinc/20/32/84/948203284.db2.gz KZDDILZTZNZVFF-UHFFFAOYSA-N -1 1 347.382 2.462 20 0 EEADMM C[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)c1cnccn1 ZINC001570933856 948914935 /nfs/dbraw/zinc/91/49/35/948914935.db2.gz UUMVHQKIWKNIBY-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM C[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)c1cnccn1 ZINC001570933856 948914943 /nfs/dbraw/zinc/91/49/43/948914943.db2.gz UUMVHQKIWKNIBY-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001570941164 949212155 /nfs/dbraw/zinc/21/21/55/949212155.db2.gz BNSNDPWZOAZIFN-QWHCGFSZSA-N -1 1 340.412 2.284 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001575857406 949266580 /nfs/dbraw/zinc/26/65/80/949266580.db2.gz QJABCDJRTPQJMG-RHSMWYFYSA-N -1 1 335.371 2.113 20 0 EEADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001575857406 949266602 /nfs/dbraw/zinc/26/66/02/949266602.db2.gz QJABCDJRTPQJMG-RHSMWYFYSA-N -1 1 335.371 2.113 20 0 EEADMM CC1=C(C)C[C@](C)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001575861264 949326012 /nfs/dbraw/zinc/32/60/12/949326012.db2.gz RCCMPJOBSOYNCP-QGZVFWFLSA-N -1 1 326.404 2.405 20 0 EEADMM CC1=C(C)C[C@](C)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001575861264 949326034 /nfs/dbraw/zinc/32/60/34/949326034.db2.gz RCCMPJOBSOYNCP-QGZVFWFLSA-N -1 1 326.404 2.405 20 0 EEADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001570943235 949345315 /nfs/dbraw/zinc/34/53/15/949345315.db2.gz YASCIXJTHLDMJB-PELKAZGASA-N -1 1 342.737 2.141 20 0 EEADMM FC1(F)[C@@H]2CCCO[C@@]21CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001570943235 949345338 /nfs/dbraw/zinc/34/53/38/949345338.db2.gz YASCIXJTHLDMJB-PELKAZGASA-N -1 1 342.737 2.141 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([S@](C)(=N)=O)cc1 ZINC001570946519 949533773 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ZINC000736795177 578224025 /nfs/dbraw/zinc/22/40/25/578224025.db2.gz SVTWVBZZUVIUPS-ILXRZTDVSA-N -1 1 337.464 2.003 20 0 EEADMM C[C@@H]1CN(CCCNC(=O)c2ccccc2NC(=O)[O-])C[C@H](C)O1 ZINC000736808134 578224970 /nfs/dbraw/zinc/22/49/70/578224970.db2.gz IWIDBCPLMYFNRF-BETUJISGSA-N -1 1 335.404 2.006 20 0 EEADMM Cc1ccc(OCCCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737364532 578252962 /nfs/dbraw/zinc/25/29/62/578252962.db2.gz FLDRHUJMUUNPSR-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cc1ccc(OCCCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737364532 578252963 /nfs/dbraw/zinc/25/29/63/578252963.db2.gz FLDRHUJMUUNPSR-UHFFFAOYSA-N -1 1 325.376 2.236 20 0 EEADMM Cn1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(C2CCCCC2)n1 ZINC000737603185 578266368 /nfs/dbraw/zinc/26/63/68/578266368.db2.gz NOPHNCFUVZZLTG-UHFFFAOYSA-N -1 1 343.435 2.001 20 0 EEADMM CCCCOCCOCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821077468 599100095 /nfs/dbraw/zinc/10/00/95/599100095.db2.gz GWJMFFPQWHSTKU-UHFFFAOYSA-N -1 1 346.844 2.222 20 0 EEADMM CCCCOCCOCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821077468 599100097 /nfs/dbraw/zinc/10/00/97/599100097.db2.gz GWJMFFPQWHSTKU-UHFFFAOYSA-N -1 1 346.844 2.222 20 0 EEADMM Cc1cccc2nc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)[nH]c21 ZINC000821116763 598058921 /nfs/dbraw/zinc/05/89/21/598058921.db2.gz OLHBMMGYRNMCCV-LBPRGKRZSA-N -1 1 330.388 2.268 20 0 EEADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823548048 599310170 /nfs/dbraw/zinc/31/01/70/599310170.db2.gz RTWPKZXCPKZQRZ-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823548048 599310173 /nfs/dbraw/zinc/31/01/73/599310173.db2.gz RTWPKZXCPKZQRZ-WDZFZDKYSA-N -1 1 343.249 2.082 20 0 EEADMM CC(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000315095259 600099038 /nfs/dbraw/zinc/09/90/38/600099038.db2.gz VUJLQPBJIDCFRJ-UHFFFAOYSA-N -1 1 327.337 2.102 20 0 EEADMM COC(=O)c1ccc(OCCN2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000818523873 600817295 /nfs/dbraw/zinc/81/72/95/600817295.db2.gz GCGSOQKPUZFBJA-UHFFFAOYSA-N -1 1 341.791 2.302 20 0 EEADMM CNC(=O)[C@@H](C)CN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000830975844 601380040 /nfs/dbraw/zinc/38/00/40/601380040.db2.gz VGWLXQLSIMCFFI-NSHDSACASA-N -1 1 347.440 2.322 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN1CCC(N2CCN(CC)C2=O)CC1 ZINC000830369904 601416919 /nfs/dbraw/zinc/41/69/19/601416919.db2.gz UPDIKLHDDFNRSI-UHFFFAOYSA-N -1 1 349.431 2.262 20 0 EEADMM Cc1ccc(/C=C/CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832928798 601504098 /nfs/dbraw/zinc/50/40/98/601504098.db2.gz WTIXWXDNQSWRLI-CWDCEQMOSA-N -1 1 330.428 2.406 20 0 EEADMM CSc1ccccc1NC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000832790780 601553008 /nfs/dbraw/zinc/55/30/08/601553008.db2.gz SXYUHUFCYSTISA-HNNXBMFYSA-N -1 1 326.393 2.236 20 0 EEADMM CSc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832789634 601577287 /nfs/dbraw/zinc/57/72/87/601577287.db2.gz BTEGVOSSJNKWFW-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM Cc1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000832953479 601617425 /nfs/dbraw/zinc/61/74/25/601617425.db2.gz TWXITRSBAICGMJ-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]2COCC[C@@H]21 ZINC000832915392 601662441 /nfs/dbraw/zinc/66/24/41/601662441.db2.gz JBPORHPDXDKBGK-HOCLYGCPSA-N -1 1 332.400 2.133 20 0 EEADMM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cc(C)n[nH]2)cc1 ZINC000832777496 601677401 /nfs/dbraw/zinc/67/74/01/601677401.db2.gz PHBRJXZYZWMKTA-AWEZNQCLSA-N -1 1 333.413 2.315 20 0 EEADMM CC[C@@H](NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)C(=O)[O-] ZINC000818285777 601751416 /nfs/dbraw/zinc/75/14/16/601751416.db2.gz REDJQFYNGWUHIM-CYBMUJFWSA-N -1 1 347.440 2.380 20 0 EEADMM Cc1cccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1O ZINC000832973390 601863748 /nfs/dbraw/zinc/86/37/48/601863748.db2.gz ZYKKUQMTXFGHFV-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCN1C[C@H](C)O ZINC000829140551 602063242 /nfs/dbraw/zinc/06/32/42/602063242.db2.gz FAOMTQVNMFEKSE-GXTWGEPZSA-N -1 1 349.431 2.002 20 0 EEADMM c1cc(CSc2nnc(N3CCCC3)s2)cc(-c2nnn[n-]2)n1 ZINC000826516429 607544668 /nfs/dbraw/zinc/54/46/68/607544668.db2.gz KVEKGNDUMCMPTN-UHFFFAOYSA-N -1 1 346.445 2.006 20 0 EEADMM c1cc(CSc2nnc(N3CCCC3)s2)cc(-c2nn[n-]n2)n1 ZINC000826516429 607544670 /nfs/dbraw/zinc/54/46/70/607544670.db2.gz KVEKGNDUMCMPTN-UHFFFAOYSA-N -1 1 346.445 2.006 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(F)cc1 ZINC000830581424 602371224 /nfs/dbraw/zinc/37/12/24/602371224.db2.gz OASCNJHBZDHICE-OAHLLOKOSA-N -1 1 348.378 2.287 20 0 EEADMM Cc1cccc(S(=O)(=O)Oc2ccccc2F)c1-c1nn[n-]n1 ZINC000826304403 607572520 /nfs/dbraw/zinc/57/25/20/607572520.db2.gz KBJMQGPNHJONPE-UHFFFAOYSA-N -1 1 334.332 2.082 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000833209187 604673771 /nfs/dbraw/zinc/67/37/71/604673771.db2.gz BNCSVMUTRKQHFU-GJZGRUSLSA-N -1 1 349.431 2.455 20 0 EEADMM CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(C(=O)[O-])cc1F)CC2 ZINC000833661169 604759076 /nfs/dbraw/zinc/75/90/76/604759076.db2.gz SVVLWDMWODRTJW-HOTGVXAUSA-N -1 1 337.391 2.276 20 0 EEADMM CC(C)CN1CCO[C@H](COC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000833487230 604781082 /nfs/dbraw/zinc/78/10/82/604781082.db2.gz HGTKAVHFFLSIIH-INIZCTEOSA-N -1 1 349.427 2.217 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)SC(C)(C)C2=O)C1 ZINC000833564517 604865138 /nfs/dbraw/zinc/86/51/38/604865138.db2.gz RZROVERDCRUWDI-JTQLQIEISA-N -1 1 328.434 2.241 20 0 EEADMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833536264 605058658 /nfs/dbraw/zinc/05/86/58/605058658.db2.gz QKEOFWUATVVSHQ-MNOVXSKESA-N -1 1 347.371 2.174 20 0 EEADMM C/C(=C/CN[C@H](CCO)c1ccccc1Br)C(=O)[O-] ZINC000833383876 605137917 /nfs/dbraw/zinc/13/79/17/605137917.db2.gz OKWXKALGEDAXAR-AGEOTTOMSA-N -1 1 328.206 2.493 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCC1 ZINC000833622498 605164376 /nfs/dbraw/zinc/16/43/76/605164376.db2.gz PTHZCGVNNAPCAC-HNNXBMFYSA-N -1 1 330.428 2.116 20 0 EEADMM CCc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833670710 605250127 /nfs/dbraw/zinc/25/01/27/605250127.db2.gz RTHVAKSBYHYVIV-HNNXBMFYSA-N -1 1 332.444 2.189 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccc(F)cc1 ZINC000833382185 605275499 /nfs/dbraw/zinc/27/54/99/605275499.db2.gz KUNUMKGLIXLESG-FZDNWWAKSA-N -1 1 334.391 2.236 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)CCN1CCC(=O)[O-] ZINC000833617921 605278152 /nfs/dbraw/zinc/27/81/52/605278152.db2.gz ITJCKJIQDGAODS-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM CC(=O)NC[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000833397028 605371398 /nfs/dbraw/zinc/37/13/98/605371398.db2.gz UMZUXKVSTHZOPM-NHYWBVRUSA-N -1 1 342.798 2.453 20 0 EEADMM Cc1cccn2cc(COC(=O)c3ccc(-c4nnn[n-]4)s3)nc12 ZINC000822366384 606132424 /nfs/dbraw/zinc/13/24/24/606132424.db2.gz JDQGOAPCZNOMRJ-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM Cc1cccn2cc(COC(=O)c3ccc(-c4nn[n-]n4)s3)nc12 ZINC000822366384 606132426 /nfs/dbraw/zinc/13/24/26/606132426.db2.gz JDQGOAPCZNOMRJ-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822194985 606149655 /nfs/dbraw/zinc/14/96/55/606149655.db2.gz CJIMAHQDPJVUOX-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822194985 606149656 /nfs/dbraw/zinc/14/96/56/606149656.db2.gz CJIMAHQDPJVUOX-UHFFFAOYSA-N -1 1 334.383 2.472 20 0 EEADMM CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000821020947 606163901 /nfs/dbraw/zinc/16/39/01/606163901.db2.gz KDAVDWSTDLMVFS-ZDUSSCGKSA-N -1 1 346.439 2.471 20 0 EEADMM CCC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821020947 606163902 /nfs/dbraw/zinc/16/39/02/606163902.db2.gz KDAVDWSTDLMVFS-ZDUSSCGKSA-N -1 1 346.439 2.471 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000822191138 606450282 /nfs/dbraw/zinc/45/02/82/606450282.db2.gz GFDVDHDLCIOETH-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000822191138 606450284 /nfs/dbraw/zinc/45/02/84/606450284.db2.gz GFDVDHDLCIOETH-JTQLQIEISA-N -1 1 326.335 2.200 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2c2ccccc2)nc1-c1nnn[n-]1 ZINC000822578378 606476482 /nfs/dbraw/zinc/47/64/82/606476482.db2.gz HUTNBHGHMNXSHE-ZDUSSCGKSA-N -1 1 342.790 2.493 20 0 EEADMM Clc1ccc(N2CCOC[C@H]2c2ccccc2)nc1-c1nn[n-]n1 ZINC000822578378 606476484 /nfs/dbraw/zinc/47/64/84/606476484.db2.gz HUTNBHGHMNXSHE-ZDUSSCGKSA-N -1 1 342.790 2.493 20 0 EEADMM COc1ccc(C)cc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821782598 606507244 /nfs/dbraw/zinc/50/72/44/606507244.db2.gz HIODPGHCFCDGFG-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ccc(C)cc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821782598 606507246 /nfs/dbraw/zinc/50/72/46/606507246.db2.gz HIODPGHCFCDGFG-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](C)[C@H]1C ZINC000822534930 606534241 /nfs/dbraw/zinc/53/42/41/606534241.db2.gz CGKBNORIWYIEBC-WDEREUQCSA-N -1 1 340.387 2.429 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](C)[C@H]1C ZINC000822534930 606534242 /nfs/dbraw/zinc/53/42/42/606534242.db2.gz CGKBNORIWYIEBC-WDEREUQCSA-N -1 1 340.387 2.429 20 0 EEADMM CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819788734 606537544 /nfs/dbraw/zinc/53/75/44/606537544.db2.gz GUPWXSFASPWUPR-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819788734 606537545 /nfs/dbraw/zinc/53/75/45/606537545.db2.gz GUPWXSFASPWUPR-UHFFFAOYSA-N -1 1 342.384 2.163 20 0 EEADMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144196 606573397 /nfs/dbraw/zinc/57/33/97/606573397.db2.gz CRBBKWTWZNVPHF-VXGBXAGGSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144196 606573399 /nfs/dbraw/zinc/57/33/99/606573399.db2.gz CRBBKWTWZNVPHF-VXGBXAGGSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823536191 606573733 /nfs/dbraw/zinc/57/37/33/606573733.db2.gz VETAPSPLLJZCAT-UHFFFAOYSA-N -1 1 340.368 2.065 20 0 EEADMM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc(-c2nn[n-]n2)s1 ZINC000823536191 606573735 /nfs/dbraw/zinc/57/37/35/606573735.db2.gz VETAPSPLLJZCAT-UHFFFAOYSA-N -1 1 340.368 2.065 20 0 EEADMM Cc1cccc(OCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822329070 606647274 /nfs/dbraw/zinc/64/72/74/606647274.db2.gz XSCZZFCEIIQYDR-UHFFFAOYSA-N -1 1 339.355 2.082 20 0 EEADMM Cc1cccc(OCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822329070 606647275 /nfs/dbraw/zinc/64/72/75/606647275.db2.gz XSCZZFCEIIQYDR-UHFFFAOYSA-N -1 1 339.355 2.082 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820300018 606648413 /nfs/dbraw/zinc/64/84/13/606648413.db2.gz MYQHSNSJAHSRQP-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820300018 606648414 /nfs/dbraw/zinc/64/84/14/606648414.db2.gz MYQHSNSJAHSRQP-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM CC(C)c1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000820202660 606649288 /nfs/dbraw/zinc/64/92/88/606649288.db2.gz IWZDOLIZRRBSNQ-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000820202660 606649289 /nfs/dbraw/zinc/64/92/89/606649289.db2.gz IWZDOLIZRRBSNQ-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM O=C(CSc1ccc(F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823066082 606649837 /nfs/dbraw/zinc/64/98/37/606649837.db2.gz LIJUQUBXMLCQHB-UHFFFAOYSA-N -1 1 345.359 2.236 20 0 EEADMM O=C(CSc1ccc(F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823066082 606649838 /nfs/dbraw/zinc/64/98/38/606649838.db2.gz LIJUQUBXMLCQHB-UHFFFAOYSA-N -1 1 345.359 2.236 20 0 EEADMM Clc1nsc(N2CC[C@H](Oc3ccccn3)C2)c1-c1nnn[n-]1 ZINC000822591576 606878471 /nfs/dbraw/zinc/87/84/71/606878471.db2.gz VNFNKDJPTQUDJV-QMMMGPOBSA-N -1 1 349.807 2.029 20 0 EEADMM Clc1nsc(N2CC[C@H](Oc3ccccn3)C2)c1-c1nn[n-]n1 ZINC000822591576 606878472 /nfs/dbraw/zinc/87/84/72/606878472.db2.gz VNFNKDJPTQUDJV-QMMMGPOBSA-N -1 1 349.807 2.029 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nnn[n-]3)s1)CO2 ZINC000822274869 606936791 /nfs/dbraw/zinc/93/67/91/606936791.db2.gz KXHAWVXHRSYVNY-SNVBAGLBSA-N -1 1 327.369 2.100 20 0 EEADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3nn[n-]n3)s1)CO2 ZINC000822274869 606936792 /nfs/dbraw/zinc/93/67/92/606936792.db2.gz KXHAWVXHRSYVNY-SNVBAGLBSA-N -1 1 327.369 2.100 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823380210 607108624 /nfs/dbraw/zinc/10/86/24/607108624.db2.gz SLSQVPMFILWKGG-JGVFFNPUSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000823380210 607108626 /nfs/dbraw/zinc/10/86/26/607108626.db2.gz SLSQVPMFILWKGG-JGVFFNPUSA-N -1 1 348.338 2.344 20 0 EEADMM Clc1ccc(Nc2cccc(-n3ccnn3)c2)nc1-c1nnn[n-]1 ZINC000822578862 607133162 /nfs/dbraw/zinc/13/31/62/607133162.db2.gz RMCIZFIAMUKTCI-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccc(Nc2cccc(-n3ccnn3)c2)nc1-c1nn[n-]n1 ZINC000822578862 607133164 /nfs/dbraw/zinc/13/31/64/607133164.db2.gz RMCIZFIAMUKTCI-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM CCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825717444 607867559 /nfs/dbraw/zinc/86/75/59/607867559.db2.gz LIAUNALZBHMMNV-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM CCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825717444 607867560 /nfs/dbraw/zinc/86/75/60/607867560.db2.gz LIAUNALZBHMMNV-UHFFFAOYSA-N -1 1 348.359 2.336 20 0 EEADMM C[C@@H](COc1ccc(F)cc1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC000824440547 607897195 /nfs/dbraw/zinc/89/71/95/607897195.db2.gz FNBFYFYBQFHREV-VIFPVBQESA-N -1 1 332.314 2.419 20 0 EEADMM C[C@@H](COc1ccc(F)cc1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC000824440547 607897196 /nfs/dbraw/zinc/89/71/96/607897196.db2.gz FNBFYFYBQFHREV-VIFPVBQESA-N -1 1 332.314 2.419 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NOC1CCCC1 ZINC000826340529 608476359 /nfs/dbraw/zinc/47/63/59/608476359.db2.gz BEKIOWNZAUIGDM-UHFFFAOYSA-N -1 1 342.359 2.163 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NOC1CCCC1 ZINC000826340529 608476360 /nfs/dbraw/zinc/47/63/60/608476360.db2.gz BEKIOWNZAUIGDM-UHFFFAOYSA-N -1 1 342.359 2.163 20 0 EEADMM Cc1cc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)ccc1F ZINC000826266248 608724578 /nfs/dbraw/zinc/72/45/78/608724578.db2.gz IMBGTZRLPFVSFU-INIZCTEOSA-N -1 1 343.362 2.481 20 0 EEADMM Cc1cc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)ccc1F ZINC000826266248 608724580 /nfs/dbraw/zinc/72/45/80/608724580.db2.gz IMBGTZRLPFVSFU-INIZCTEOSA-N -1 1 343.362 2.481 20 0 EEADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824235112 609235397 /nfs/dbraw/zinc/23/53/97/609235397.db2.gz CBAMBODEMCNQGF-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824235112 609235399 /nfs/dbraw/zinc/23/53/99/609235399.db2.gz CBAMBODEMCNQGF-WDEREUQCSA-N -1 1 335.433 2.252 20 0 EEADMM CSc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826231533 609294126 /nfs/dbraw/zinc/29/41/26/609294126.db2.gz PBXGMPGCHDCOSS-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826231533 609294127 /nfs/dbraw/zinc/29/41/27/609294127.db2.gz PBXGMPGCHDCOSS-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM Cc1ccc2oc(SCc3ccnc(-c4nnn[n-]4)c3)nc2n1 ZINC000826295686 609491118 /nfs/dbraw/zinc/49/11/18/609491118.db2.gz TUZQGDFNHLMBFP-UHFFFAOYSA-N -1 1 325.357 2.399 20 0 EEADMM Cc1ccc2oc(SCc3ccnc(-c4nn[n-]n4)c3)nc2n1 ZINC000826295686 609491119 /nfs/dbraw/zinc/49/11/19/609491119.db2.gz TUZQGDFNHLMBFP-UHFFFAOYSA-N -1 1 325.357 2.399 20 0 EEADMM C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1)C(C)(C)C ZINC001021442646 676089046 /nfs/dbraw/zinc/08/90/46/676089046.db2.gz SEFSJIHNRMTCHH-HZSPNIEDSA-N -1 1 345.443 2.142 20 0 EEADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cnn(CC2CCC2)c1 ZINC000890671242 675293999 /nfs/dbraw/zinc/29/39/99/675293999.db2.gz WFANBRRSLBDMQB-LBPRGKRZSA-N -1 1 327.384 2.449 20 0 EEADMM C[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020660620 675363714 /nfs/dbraw/zinc/36/37/14/675363714.db2.gz ZNXMWOILMSPUFJ-ZFWWWQNUSA-N -1 1 345.443 2.192 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](CNC(=O)c3ncccc3[O-])[C@H](C)C2)CC1 ZINC001020805785 675502142 /nfs/dbraw/zinc/50/21/42/675502142.db2.gz XGZDLLUDZFAVID-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ncc2c(F)cccn21 ZINC000891616578 676724032 /nfs/dbraw/zinc/72/40/32/676724032.db2.gz YXLCQCAJDDDOHC-UHFFFAOYSA-N -1 1 327.319 2.100 20 0 EEADMM CCOc1ccccc1OCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891631154 676737932 /nfs/dbraw/zinc/73/79/32/676737932.db2.gz MLIASIGGMLPDHD-UHFFFAOYSA-N -1 1 343.383 2.477 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C)ccc32)co1 ZINC000161645958 679089572 /nfs/dbraw/zinc/08/95/72/679089572.db2.gz OQXSBFZCINEHQY-UHFFFAOYSA-N -1 1 334.397 2.089 20 0 EEADMM CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937363326 681348002 /nfs/dbraw/zinc/34/80/02/681348002.db2.gz SIXLIRWPRWXMLN-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1F)OC1CCCCC1 ZINC000177551934 681360993 /nfs/dbraw/zinc/36/09/93/681360993.db2.gz NPSRNDZXUWGEEV-UHFFFAOYSA-N -1 1 333.356 2.119 20 0 EEADMM CN(C(=O)c1ccc(Cl)o1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937210625 681685046 /nfs/dbraw/zinc/68/50/46/681685046.db2.gz DTSZMUMIMWWPMZ-JTQLQIEISA-N -1 1 349.774 2.020 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000982675909 682026735 /nfs/dbraw/zinc/02/67/35/682026735.db2.gz OMSBDFSNALFVGA-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000973197015 682294218 /nfs/dbraw/zinc/29/42/18/682294218.db2.gz JUCPSVGSLBBVEF-HDJSIYSDSA-N -1 1 339.395 2.095 20 0 EEADMM Cc1scc(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000973198825 682295877 /nfs/dbraw/zinc/29/58/77/682295877.db2.gz JMXFDYFIAJLGBQ-HAQNSBGRSA-N -1 1 345.424 2.156 20 0 EEADMM C[C@@H]1CC(C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C[C@@H](C)C1 ZINC000973200035 682297639 /nfs/dbraw/zinc/29/76/39/682297639.db2.gz WQOFAJQFMGECNA-JURCDPSOSA-N -1 1 345.443 2.237 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)C2CCCC2)C1)c1ncccc1[O-] ZINC000983433644 682644918 /nfs/dbraw/zinc/64/49/18/682644918.db2.gz LQXNQUKEWPZBGI-UONOGXRCSA-N -1 1 331.416 2.135 20 0 EEADMM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000983475001 682714385 /nfs/dbraw/zinc/71/43/85/682714385.db2.gz IDFCJIZDSONRCK-VXGBXAGGSA-N -1 1 345.424 2.320 20 0 EEADMM COCc1nc(N2CCC(c3ccc(OC)cn3)CC2)cc(=O)[n-]1 ZINC000894378415 682729617 /nfs/dbraw/zinc/72/96/17/682729617.db2.gz XYTABWANJZMANE-UHFFFAOYSA-N -1 1 330.388 2.116 20 0 EEADMM CC(C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000983584787 682897280 /nfs/dbraw/zinc/89/72/80/682897280.db2.gz KCUXWFPKIZDREW-LSDHHAIUSA-N -1 1 343.427 2.445 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@H]21 ZINC000973680455 682898225 /nfs/dbraw/zinc/89/82/25/682898225.db2.gz DKHHYXBECGSWKX-HUUCEWRRSA-N -1 1 343.427 2.207 20 0 EEADMM CC1(C)CC(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000983584615 682899469 /nfs/dbraw/zinc/89/94/69/682899469.db2.gz JOCFRLRYWJJCQH-UONOGXRCSA-N -1 1 345.443 2.381 20 0 EEADMM COCc1nc(N2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc(=O)[n-]1 ZINC000892921671 683197239 /nfs/dbraw/zinc/19/72/39/683197239.db2.gz YRPORLAERPWTPM-GFCCVEGCSA-N -1 1 337.420 2.277 20 0 EEADMM Cc1ccc2ncnc(N[C@H]3C[C@H](NC(=O)c4ncccc4[O-])C3)c2c1 ZINC001059200844 683198373 /nfs/dbraw/zinc/19/83/73/683198373.db2.gz FCTXPXIEFCUCDZ-JOCQHMNTSA-N -1 1 349.394 2.412 20 0 EEADMM COCc1nc(NC[C@@H](C)COc2ccccc2OC)cc(=O)[n-]1 ZINC000893037830 683610913 /nfs/dbraw/zinc/61/09/13/683610913.db2.gz KVLRDOMXUINBJM-GFCCVEGCSA-N -1 1 333.388 2.464 20 0 EEADMM CCC[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059361953 684443920 /nfs/dbraw/zinc/44/39/20/684443920.db2.gz RVHSMKWNJZAIOO-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)CN1CCOCC1 ZINC000909516818 684508550 /nfs/dbraw/zinc/50/85/50/684508550.db2.gz OPRWDYIWEWETIK-UHFFFAOYSA-N -1 1 334.416 2.299 20 0 EEADMM O=C(CC1CCCCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978742966 693864978 /nfs/dbraw/zinc/86/49/78/693864978.db2.gz POBWTZCUAJEJRD-GASCZTMLSA-N -1 1 345.443 2.382 20 0 EEADMM CCC(=O)[C@@H]1CCCN1C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000909338816 685122651 /nfs/dbraw/zinc/12/26/51/685122651.db2.gz AUZDZGIQRHENAK-LBPRGKRZSA-N -1 1 337.445 2.115 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000909561225 685780397 /nfs/dbraw/zinc/78/03/97/685780397.db2.gz ZANPKDLIWPOAGG-GOSISDBHSA-N -1 1 342.439 2.407 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975227456 686320752 /nfs/dbraw/zinc/32/07/52/686320752.db2.gz SUBSACFBOLEEQR-KBPBESRZSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1[C@H]1CCCN1C(=O)C1CC1 ZINC000975947051 687196674 /nfs/dbraw/zinc/19/66/74/687196674.db2.gz HVTMBADSWZKMNO-LSDHHAIUSA-N -1 1 343.427 2.183 20 0 EEADMM Cc1ccccc1C(=O)N1CC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000936459387 687395569 /nfs/dbraw/zinc/39/55/69/687395569.db2.gz MGUZUNUTRSPSQP-AWEZNQCLSA-N -1 1 339.395 2.082 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001029899187 688198178 /nfs/dbraw/zinc/19/81/78/688198178.db2.gz TYLOEVHRZRSJRH-OAHLLOKOSA-N -1 1 349.479 2.151 20 0 EEADMM CCOC(=O)N1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897418983 689323217 /nfs/dbraw/zinc/32/32/17/689323217.db2.gz SSRFZXCBSCJYBW-GFCCVEGCSA-N -1 1 344.367 2.212 20 0 EEADMM CCCC1(C[N-]S(=O)(=O)c2nc[nH]c2Br)CCC1 ZINC000866954740 689586549 /nfs/dbraw/zinc/58/65/49/689586549.db2.gz KBHDYFZMFSQZNO-UHFFFAOYSA-N -1 1 336.255 2.421 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@H]1CCCC1(C)C ZINC000987689952 689935668 /nfs/dbraw/zinc/93/56/68/689935668.db2.gz XBGJPPTXDZEIAS-MCIONIFRSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCCCC1 ZINC000987669910 689936416 /nfs/dbraw/zinc/93/64/16/689936416.db2.gz CFRBXLZQFQRIOI-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM Cn1nc(CN[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1C(F)(F)F ZINC000904267906 694339978 /nfs/dbraw/zinc/33/99/78/694339978.db2.gz KFEQGNONLWGWEN-VHSXEESVSA-N -1 1 332.326 2.107 20 0 EEADMM CC[C@@H]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979263048 694366199 /nfs/dbraw/zinc/36/61/99/694366199.db2.gz IRLSFNONDQTRPD-APIJFGDWSA-N -1 1 345.443 2.238 20 0 EEADMM CN(CC1CCN(C(=O)c2ccco2)CC1)C(=O)c1ncccc1[O-] ZINC000988426712 690626886 /nfs/dbraw/zinc/62/68/86/690626886.db2.gz VTAPFNXNXLBJBP-UHFFFAOYSA-N -1 1 343.383 2.005 20 0 EEADMM CC(C)(NC(=O)c1cc(Br)cc(F)c1[O-])c1c[nH]nn1 ZINC000898143777 691883345 /nfs/dbraw/zinc/88/33/45/691883345.db2.gz GJDFAOPEMAEUQW-UHFFFAOYSA-N -1 1 343.156 2.077 20 0 EEADMM CC(C)c1cccc(C(=O)N2C[C@H](NCc3n[nH]c(=O)[n-]3)C[C@H]2C)c1 ZINC000989644040 692106666 /nfs/dbraw/zinc/10/66/66/692106666.db2.gz VCDZGBVRBBIEPL-IUODEOHRSA-N -1 1 343.431 2.027 20 0 EEADMM 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EEADMM CCCCC(=O)N1C[C@@H]2CCCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001056647568 1239456815 /nfs/dbraw/zinc/45/68/15/1239456815.db2.gz KISZTNKIFFBVED-UONOGXRCSA-N -1 1 331.416 2.040 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]c1nc(C(F)F)n[nH]1)C1CCCCC1 ZINC000903150644 1239878571 /nfs/dbraw/zinc/87/85/71/1239878571.db2.gz WAFMTGQLRVRKLD-SECBINFHSA-N -1 1 338.380 2.079 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]2[C@@H]1CCN2Cc1cscn1 ZINC001049435656 1240906648 /nfs/dbraw/zinc/90/66/48/1240906648.db2.gz WEEOREBWAOPUPY-KGLIPLIRSA-N -1 1 344.440 2.123 20 0 EEADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903629467 1241258336 /nfs/dbraw/zinc/25/83/36/1241258336.db2.gz HJBMTRHZSQBTRM-YRGRVCCFSA-N -1 1 325.430 2.194 20 0 EEADMM O=C(C[C@@H]1C=CCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ncccc1[O-] ZINC001001258351 1241926764 /nfs/dbraw/zinc/92/67/64/1241926764.db2.gz HTMNLQLMDGCWQU-TUVASFSCSA-N -1 1 341.411 2.005 20 0 EEADMM CC(C)OCc1noc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)n1 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PFITUXFYFCOSEW-IUCAKERBSA-N -1 1 339.244 2.482 20 0 EEADMM O=C(NCCNC(=O)c1c(F)ccc([O-])c1F)Nc1ccccc1 ZINC001192551838 1282031006 /nfs/dbraw/zinc/03/10/06/1282031006.db2.gz GLQPBOIRXPRMCX-UHFFFAOYSA-N -1 1 335.310 2.222 20 0 EEADMM O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([O-])cc(F)c1F ZINC001192683954 1282101570 /nfs/dbraw/zinc/10/15/70/1282101570.db2.gz JBNMBDBCHMPVQT-UHFFFAOYSA-N -1 1 335.232 2.359 20 0 EEADMM O=C(NCC1CCN(c2cnccn2)CC1)c1cc([O-])cc(F)c1F ZINC001192685021 1282104085 /nfs/dbraw/zinc/10/40/85/1282104085.db2.gz WSSIDMMBLRHMOX-UHFFFAOYSA-N -1 1 348.353 2.107 20 0 EEADMM CC(=O)N1CCCC[C@]12CCN(C(=O)c1cc([O-])cc(F)c1F)C2 ZINC001192664687 1282121309 /nfs/dbraw/zinc/12/13/09/1282121309.db2.gz OUJJLWTXRVOFGL-QGZVFWFLSA-N -1 1 338.354 2.288 20 0 EEADMM COc1ccnc(C(=O)Nc2ccc(F)cc2N2CCOCC2)c1[O-] ZINC001193532286 1282539217 /nfs/dbraw/zinc/53/92/17/1282539217.db2.gz UBYLHBTXSPPBMF-UHFFFAOYSA-N -1 1 347.346 2.024 20 0 EEADMM Nc1ccccc1S(=O)(=O)[N-]c1ccccc1CN1CCCC1=O ZINC001193929346 1282765115 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/nfs/dbraw/zinc/90/40/04/1351904004.db2.gz QANHFXNLIZJWTK-GFCCVEGCSA-N -1 1 343.412 2.436 20 0 EEADMM CCO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001609237013 1351904005 /nfs/dbraw/zinc/90/40/05/1351904005.db2.gz QANHFXNLIZJWTK-GFCCVEGCSA-N -1 1 343.412 2.436 20 0 EEADMM CCSc1cc(CNc2nc(C)cc(-c3nnn[n-]3)n2)ccn1 ZINC001609248804 1351908456 /nfs/dbraw/zinc/90/84/56/1351908456.db2.gz VSWDERRVEFMHQY-UHFFFAOYSA-N -1 1 328.405 2.084 20 0 EEADMM CCSc1cc(CNc2nc(C)cc(-c3nn[n-]n3)n2)ccn1 ZINC001609248804 1351908457 /nfs/dbraw/zinc/90/84/57/1351908457.db2.gz VSWDERRVEFMHQY-UHFFFAOYSA-N -1 1 328.405 2.084 20 0 EEADMM Cc1cccc(-n2nnnc2SCC(=O)c2ccc([O-])cc2O)c1 ZINC000028630017 1351924243 /nfs/dbraw/zinc/92/42/43/1351924243.db2.gz KYGDTZASPXSFTP-UHFFFAOYSA-N -1 1 342.380 2.357 20 0 EEADMM COC[C@@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001609317744 1351931274 /nfs/dbraw/zinc/93/12/74/1351931274.db2.gz POIXHEUNPLXFJZ-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM COC[C@@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001609317744 1351931276 /nfs/dbraw/zinc/93/12/76/1351931276.db2.gz POIXHEUNPLXFJZ-LLVKDONJSA-N -1 1 345.794 2.152 20 0 EEADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609331735 1351935540 /nfs/dbraw/zinc/93/55/40/1351935540.db2.gz BJFPOUGXCPDXJO-VXGBXAGGSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609331735 1351935542 /nfs/dbraw/zinc/93/55/42/1351935542.db2.gz BJFPOUGXCPDXJO-VXGBXAGGSA-N -1 1 330.392 2.092 20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609333149 1351936049 /nfs/dbraw/zinc/93/60/49/1351936049.db2.gz OPEBKUMZMMCSHI-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1c(Cl)cccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609333149 1351936050 /nfs/dbraw/zinc/93/60/50/1351936050.db2.gz OPEBKUMZMMCSHI-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM CSCc1cccnc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001609372019 1351949837 /nfs/dbraw/zinc/94/98/37/1351949837.db2.gz KAVDTVTUKTXIHF-UHFFFAOYSA-N -1 1 342.384 2.083 20 0 EEADMM CSc1cc(C)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001609372607 1351950859 /nfs/dbraw/zinc/95/08/59/1351950859.db2.gz VDLYMPNVZTURGF-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM CSc1cc(C)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001609372607 1351950862 /nfs/dbraw/zinc/95/08/62/1351950862.db2.gz VDLYMPNVZTURGF-UHFFFAOYSA-N -1 1 344.400 2.375 20 0 EEADMM Cc1cc(C(=O)COc2cccnc2-c2nnn[n-]2)c(C)n1C1CC1 ZINC001609393232 1351957874 /nfs/dbraw/zinc/95/78/74/1351957874.db2.gz HPUMAUSNMJCMHA-UHFFFAOYSA-N -1 1 338.371 2.277 20 0 EEADMM Cc1cc(C(=O)COc2cccnc2-c2nn[n-]n2)c(C)n1C1CC1 ZINC001609393232 1351957875 /nfs/dbraw/zinc/95/78/75/1351957875.db2.gz HPUMAUSNMJCMHA-UHFFFAOYSA-N -1 1 338.371 2.277 20 0 EEADMM Cc1cccc(NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001609433236 1351974683 /nfs/dbraw/zinc/97/46/83/1351974683.db2.gz RMGZTLUKWGNQOD-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1cccc(NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001609433236 1351974685 /nfs/dbraw/zinc/97/46/85/1351974685.db2.gz RMGZTLUKWGNQOD-UHFFFAOYSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1[nH]nc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1-c1nn[n-]n1 ZINC001609444472 1351980583 /nfs/dbraw/zinc/98/05/83/1351980583.db2.gz DSMUAEFHEAFFOX-KWQFWETISA-N -1 1 341.375 2.186 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3c2O[C@H](C)C3)c1-c1nnn[n-]1 ZINC001609465305 1351987877 /nfs/dbraw/zinc/98/78/77/1351987877.db2.gz KQPNURZQBFKIDU-SSDOTTSWSA-N -1 1 342.384 2.207 20 0 EEADMM Cc1nsc(NC(=O)c2cccc3c2O[C@H](C)C3)c1-c1nn[n-]n1 ZINC001609465305 1351987879 /nfs/dbraw/zinc/98/78/79/1351987879.db2.gz KQPNURZQBFKIDU-SSDOTTSWSA-N -1 1 342.384 2.207 20 0 EEADMM Cn1nc(C(C)(C)C)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609481669 1351993313 /nfs/dbraw/zinc/99/33/13/1351993313.db2.gz INIZKFOMBQGTPP-UHFFFAOYSA-N -1 1 331.405 2.212 20 0 EEADMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]NC(=O)c1ccccc1Cl ZINC000007913212 1352002270 /nfs/dbraw/zinc/00/22/70/1352002270.db2.gz APFNZQMCWISVDR-UHFFFAOYSA-N -1 1 349.730 2.332 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609546103 1352011689 /nfs/dbraw/zinc/01/16/89/1352011689.db2.gz AEJGBKVRBKBIIR-LBPRGKRZSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc2C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609546103 1352011698 /nfs/dbraw/zinc/01/16/98/1352011698.db2.gz AEJGBKVRBKBIIR-LBPRGKRZSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NCCCNc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609548050 1352012534 /nfs/dbraw/zinc/01/25/34/1352012534.db2.gz RTZGDADRYVDOBB-UHFFFAOYSA-N -1 1 340.362 2.238 20 0 EEADMM O=C(NCCCNc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609548050 1352012537 /nfs/dbraw/zinc/01/25/37/1352012537.db2.gz RTZGDADRYVDOBB-UHFFFAOYSA-N -1 1 340.362 2.238 20 0 EEADMM c1ccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CC23CCC3)cc1 ZINC001609617061 1352041181 /nfs/dbraw/zinc/04/11/81/1352041181.db2.gz SLUMLGQNZOMSKW-CQSZACIVSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CC23CCC3)cc1 ZINC001609617061 1352041185 /nfs/dbraw/zinc/04/11/85/1352041185.db2.gz SLUMLGQNZOMSKW-CQSZACIVSA-N -1 1 333.399 2.431 20 0 EEADMM c1cnn(Cc2ccccc2CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609617308 1352041282 /nfs/dbraw/zinc/04/12/82/1352041282.db2.gz JELPHLNFWBUNAP-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM c1cnn(Cc2ccccc2CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609617308 1352041287 /nfs/dbraw/zinc/04/12/87/1352041287.db2.gz JELPHLNFWBUNAP-UHFFFAOYSA-N -1 1 332.371 2.119 20 0 EEADMM CC(C)c1cccc(OCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001609720773 1352068263 /nfs/dbraw/zinc/06/82/63/1352068263.db2.gz KSUJHBFAALUMSC-HNNXBMFYSA-N -1 1 348.443 2.196 20 0 EEADMM Cc1cc(COCC(=O)Nc2nc(Br)ccc2[O-])no1 ZINC001337235722 1336668433 /nfs/dbraw/zinc/66/84/33/1336668433.db2.gz QZQOCUUGKXTLDF-UHFFFAOYSA-N -1 1 342.149 2.001 20 0 EEADMM C[C@H](N[C@@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001609775295 1352082009 /nfs/dbraw/zinc/08/20/09/1352082009.db2.gz NSAUPBSDONGKAV-SUMWQHHRSA-N -1 1 345.443 2.457 20 0 EEADMM CCOC[C@@H]1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001338339665 1336843647 /nfs/dbraw/zinc/84/36/47/1336843647.db2.gz ZQUYSCOAVDMCGX-SNVBAGLBSA-N -1 1 337.811 2.099 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001339725372 1337061358 /nfs/dbraw/zinc/06/13/58/1337061358.db2.gz XTMFGXJLUXEGRA-LLVKDONJSA-N -1 1 340.387 2.181 20 0 EEADMM CCOc1ccccc1CCNC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001345870166 1337471356 /nfs/dbraw/zinc/47/13/56/1337471356.db2.gz YTCCEQRIIPQCIQ-UHFFFAOYSA-N -1 1 333.413 2.151 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C[C@@H]1C ZINC001610004895 1352138702 /nfs/dbraw/zinc/13/87/02/1352138702.db2.gz RYXPJZORSHHTIP-NWDGAFQWSA-N -1 1 335.404 2.340 20 0 EEADMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC001610029481 1352144806 /nfs/dbraw/zinc/14/48/06/1352144806.db2.gz DTUFZUKCKDCRLP-MRXNPFEDSA-N -1 1 345.399 2.255 20 0 EEADMM CCc1cc(CNC(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)n[nH]1 ZINC001610059055 1352151862 /nfs/dbraw/zinc/15/18/62/1352151862.db2.gz QOYMOFZCEZISOL-SFHVURJKSA-N -1 1 344.415 2.204 20 0 EEADMM CN1C(=O)NCC12CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)CC2 ZINC001610128746 1352168809 /nfs/dbraw/zinc/16/88/09/1352168809.db2.gz HROGMHBBRXAGGH-UHFFFAOYSA-N -1 1 337.807 2.028 20 0 EEADMM COc1ccc([C@@H](NCc2n[nH]c(C(C)(C)C)n2)C(=O)[O-])c(OC)c1 ZINC001610324021 1352205612 /nfs/dbraw/zinc/20/56/12/1352205612.db2.gz UBFFBLMARMWZRH-CQSZACIVSA-N -1 1 348.403 2.035 20 0 EEADMM Cc1ccc([C@H](CNC(=O)[C@H]2NCCc3ccccc32)C(=O)[O-])cc1 ZINC001610492061 1352232547 /nfs/dbraw/zinc/23/25/47/1352232547.db2.gz UXLCJJSDMWPCOE-ROUUACIJSA-N -1 1 338.407 2.166 20 0 EEADMM CC[C@@H](CNC(=O)c1cc(C)ccc1C)NC(=O)c1ncccc1[O-] ZINC001416299238 1339132185 /nfs/dbraw/zinc/13/21/85/1339132185.db2.gz LIZRQMXKCHNMCB-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM CO[C@H](CS(=O)(=O)[N-]C[C@H](OC)C(F)(F)F)C1CCCCC1 ZINC000849374463 1339155322 /nfs/dbraw/zinc/15/53/22/1339155322.db2.gz BTHBNYRKFUWKSH-NEPJUHHUSA-N -1 1 347.399 2.078 20 0 EEADMM O=C([O-])[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1F ZINC001610717880 1352264180 /nfs/dbraw/zinc/26/41/80/1352264180.db2.gz KCAGZUXJQVWODL-HUUCEWRRSA-N -1 1 326.331 2.449 20 0 EEADMM O=C([O-])C[C@@H]1CSCCN1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001610765139 1352270868 /nfs/dbraw/zinc/27/08/68/1352270868.db2.gz IYPLKUHPHUJFDS-KGLIPLIRSA-N -1 1 342.461 2.032 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1cnn(-c2ccccc2)c1Br ZINC001611380540 1352300134 /nfs/dbraw/zinc/30/01/34/1352300134.db2.gz VZEHDUABWXHGBJ-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM NC(=O)C1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCCC1 ZINC001433698406 1341662520 /nfs/dbraw/zinc/66/25/20/1341662520.db2.gz YTHYZAASOHUVHZ-UHFFFAOYSA-N -1 1 328.368 2.027 20 0 EEADMM O=C(NCc1ccccc1Cn1cncn1)c1ccc(F)c([O-])c1 ZINC001556335282 1342427531 /nfs/dbraw/zinc/42/75/31/1342427531.db2.gz JXZZPVUOBYPFCH-UHFFFAOYSA-N -1 1 326.331 2.101 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001556827568 1342435195 /nfs/dbraw/zinc/43/51/95/1342435195.db2.gz OXCMWUKWSJULRM-UHFFFAOYSA-N -1 1 341.346 2.490 20 0 EEADMM CSc1nc(CNC(=O)Nc2ccc(C)c3c[nH]nc32)cc(=O)[n-]1 ZINC001562342403 1342536200 /nfs/dbraw/zinc/53/62/00/1342536200.db2.gz ANGWZLZIYGXDFA-UHFFFAOYSA-N -1 1 344.400 2.411 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001576398983 1344010001 /nfs/dbraw/zinc/01/00/01/1344010001.db2.gz SIGSUUJLAPWLRU-OQPBUACISA-N -1 1 327.369 2.180 20 0 EEADMM CN(C(=O)[C@@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001578847427 1344308023 /nfs/dbraw/zinc/30/80/23/1344308023.db2.gz ARNSFUGYPSUHJM-GUYCJALGSA-N -1 1 338.346 2.109 20 0 EEADMM CN(C(=O)[C@@H]1C[C@]1(F)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001578847427 1344308027 /nfs/dbraw/zinc/30/80/27/1344308027.db2.gz ARNSFUGYPSUHJM-GUYCJALGSA-N -1 1 338.346 2.109 20 0 EEADMM CN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001578879790 1344313510 /nfs/dbraw/zinc/31/35/10/1344313510.db2.gz QYYMRWJGAKDZEV-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CN(C(=O)Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001578879790 1344313513 /nfs/dbraw/zinc/31/35/13/1344313513.db2.gz QYYMRWJGAKDZEV-UHFFFAOYSA-N -1 1 346.753 2.260 20 0 EEADMM CO[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001579869992 1344422441 /nfs/dbraw/zinc/42/24/41/1344422441.db2.gz NMTLGWQGEHFCSB-CJNGLKHVSA-N -1 1 349.398 2.258 20 0 EEADMM CO[C@H]1c2ccccc2C[C@H]1Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001579869992 1344422444 /nfs/dbraw/zinc/42/24/44/1344422444.db2.gz NMTLGWQGEHFCSB-CJNGLKHVSA-N -1 1 349.398 2.258 20 0 EEADMM COc1cc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)ccc1O ZINC001579928932 1344432814 /nfs/dbraw/zinc/43/28/14/1344432814.db2.gz JAPMMFRLVRCTOG-UHFFFAOYSA-N -1 1 338.780 2.303 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)C1CCCCCC1 ZINC001580432899 1344519497 /nfs/dbraw/zinc/51/94/97/1344519497.db2.gz KJLXXTIJHWHRKX-LBPRGKRZSA-N -1 1 328.420 2.279 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)C1CCCCCC1 ZINC001580432899 1344519501 /nfs/dbraw/zinc/51/95/01/1344519501.db2.gz KJLXXTIJHWHRKX-LBPRGKRZSA-N -1 1 328.420 2.279 20 0 EEADMM Cc1cccc(CC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1Cl ZINC001581241260 1344604693 /nfs/dbraw/zinc/60/46/93/1344604693.db2.gz VDISFWRDDDRVKD-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1cccc(CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1Cl ZINC001581241260 1344604696 /nfs/dbraw/zinc/60/46/96/1344604696.db2.gz VDISFWRDDDRVKD-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1ccc(-c2nnn[n-]2)s1 ZINC001582327861 1344732310 /nfs/dbraw/zinc/73/23/10/1344732310.db2.gz JNIKVTNTHHLSSJ-LLVKDONJSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@@H]1CCc2ccc(O)cc21)c1ccc(-c2nn[n-]n2)s1 ZINC001582327861 1344732313 /nfs/dbraw/zinc/73/23/13/1344732313.db2.gz JNIKVTNTHHLSSJ-LLVKDONJSA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NCc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(F)c([O-])c1 ZINC001582545172 1344760248 /nfs/dbraw/zinc/76/02/48/1344760248.db2.gz FSDMBNGTOBJUDP-UHFFFAOYSA-N -1 1 347.737 2.295 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cnc(CC2CC2)s1 ZINC001582551711 1344761830 /nfs/dbraw/zinc/76/18/30/1344761830.db2.gz YJDJMEBJBAVJQY-UHFFFAOYSA-N -1 1 346.441 2.267 20 0 EEADMM O=C(c1c(F)ccc([O-])c1F)N1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001582664543 1344780345 /nfs/dbraw/zinc/78/03/45/1344780345.db2.gz MRPZBRDWVXBGEF-UHFFFAOYSA-N -1 1 343.293 2.007 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3CC4(CCC4)CO3)c2-c2nn[n-]n2)cc1 ZINC001582817545 1344796726 /nfs/dbraw/zinc/79/67/26/1344796726.db2.gz MFXRKDDSNNROON-ZDUSSCGKSA-N -1 1 337.387 2.084 20 0 EEADMM CC(=Cc1ccc(F)cc1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001588769911 1348933537 /nfs/dbraw/zinc/93/35/37/1348933537.db2.gz AFSGZYOSUQCNEM-FPLPWBNLSA-N -1 1 327.323 2.079 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)cc(F)c2)n1 ZINC001589250364 1348974729 /nfs/dbraw/zinc/97/47/29/1348974729.db2.gz QGUQXKFNPAOYOA-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)cc(F)c2)n1 ZINC001589250364 1348974734 /nfs/dbraw/zinc/97/47/34/1348974734.db2.gz QGUQXKFNPAOYOA-UHFFFAOYSA-N -1 1 347.329 2.349 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001589250353 1348975235 /nfs/dbraw/zinc/97/52/35/1348975235.db2.gz PVCWISAZHUNXGU-WDEREUQCSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001589250353 1348975238 /nfs/dbraw/zinc/97/52/38/1348975238.db2.gz PVCWISAZHUNXGU-WDEREUQCSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)OCC1CC1 ZINC001589287732 1348979464 /nfs/dbraw/zinc/97/94/64/1348979464.db2.gz DSHCNAQIKKPSTN-UHFFFAOYSA-N -1 1 329.408 2.151 20 0 EEADMM CC(C)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)OCC1CC1 ZINC001589287732 1348979467 /nfs/dbraw/zinc/97/94/67/1348979467.db2.gz DSHCNAQIKKPSTN-UHFFFAOYSA-N -1 1 329.408 2.151 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nn(C)c(C)c2-c2nnn[n-]2)C1(C)C ZINC001589370471 1348986896 /nfs/dbraw/zinc/98/68/96/1348986896.db2.gz BKVQMALLUXRXNL-JQWIXIFHSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nn(C)c(C)c2-c2nn[n-]n2)C1(C)C ZINC001589370471 1348986899 /nfs/dbraw/zinc/98/68/99/1348986899.db2.gz BKVQMALLUXRXNL-JQWIXIFHSA-N -1 1 329.408 2.086 20 0 EEADMM CC(C)CCc1nnc(NCc2cccc(-c3nnn[n-]3)n2)s1 ZINC001589609060 1349010597 /nfs/dbraw/zinc/01/05/97/1349010597.db2.gz BJHBFMLHGVZGSR-UHFFFAOYSA-N -1 1 330.421 2.314 20 0 EEADMM CC(C)CCc1nnc(NCc2cccc(-c3nn[n-]n3)n2)s1 ZINC001589609060 1349010604 /nfs/dbraw/zinc/01/06/04/1349010604.db2.gz BJHBFMLHGVZGSR-UHFFFAOYSA-N -1 1 330.421 2.314 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC001589775555 1349036028 /nfs/dbraw/zinc/03/60/28/1349036028.db2.gz BFPXCYATVGGHSJ-LBPRGKRZSA-N -1 1 340.391 2.500 20 0 EEADMM CC(C)c1nc([C@@H]2CCCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC001589775555 1349036032 /nfs/dbraw/zinc/03/60/32/1349036032.db2.gz BFPXCYATVGGHSJ-LBPRGKRZSA-N -1 1 340.391 2.500 20 0 EEADMM C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(C(=O)[O-])c1ccccc1 ZINC001589871845 1349053882 /nfs/dbraw/zinc/05/38/82/1349053882.db2.gz DGPHXAZIDPZIHK-MRXNPFEDSA-N -1 1 343.412 2.060 20 0 EEADMM C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(C(=O)[O-])c1ccccc1 ZINC001589871845 1349053885 /nfs/dbraw/zinc/05/38/85/1349053885.db2.gz DGPHXAZIDPZIHK-MRXNPFEDSA-N -1 1 343.412 2.060 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H](O)c1ccccc1 ZINC001589980075 1349090070 /nfs/dbraw/zinc/09/00/70/1349090070.db2.gz HGTYMMGENVSZMX-MEBBXXQBSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H](O)c1ccccc1 ZINC001589980075 1349090076 /nfs/dbraw/zinc/09/00/76/1349090076.db2.gz HGTYMMGENVSZMX-MEBBXXQBSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](Nc1ccnc(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC001589985600 1349094796 /nfs/dbraw/zinc/09/47/96/1349094796.db2.gz MRIVNTYBAPMYRO-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC001589985600 1349094803 /nfs/dbraw/zinc/09/48/03/1349094803.db2.gz MRIVNTYBAPMYRO-VIFPVBQESA-N -1 1 332.314 2.458 20 0 EEADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001590025939 1349114389 /nfs/dbraw/zinc/11/43/89/1349114389.db2.gz WORZHEAWZNDHDL-SNVBAGLBSA-N -1 1 341.375 2.119 20 0 EEADMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001590025939 1349114393 /nfs/dbraw/zinc/11/43/93/1349114393.db2.gz WORZHEAWZNDHDL-SNVBAGLBSA-N -1 1 341.375 2.119 20 0 EEADMM C[C@@]1(Br)C[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590055035 1349135912 /nfs/dbraw/zinc/13/59/12/1349135912.db2.gz OVSYXNUDRCFMLG-KSBSHMNSSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@@]1(Br)C[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590055035 1349135919 /nfs/dbraw/zinc/13/59/19/1349135919.db2.gz OVSYXNUDRCFMLG-KSBSHMNSSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC001590069192 1349136697 /nfs/dbraw/zinc/13/66/97/1349136697.db2.gz VNLPCQVBZYZXOJ-QGZVFWFLSA-N -1 1 339.424 2.449 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]2CCO[C@H]21 ZINC001590076559 1349140489 /nfs/dbraw/zinc/14/04/89/1349140489.db2.gz FIFIGFAGWNHCSY-UIISKDMLSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]2CCO[C@H]21 ZINC001590076559 1349140498 /nfs/dbraw/zinc/14/04/98/1349140498.db2.gz FIFIGFAGWNHCSY-UIISKDMLSA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)CC[C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])OC1 ZINC001590090078 1349149005 /nfs/dbraw/zinc/14/90/05/1349149005.db2.gz ZHRFAKJOLGPZRF-LLVKDONJSA-N -1 1 331.376 2.106 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]1[C@@H]1CCCO1 ZINC001590109429 1349159567 /nfs/dbraw/zinc/15/95/67/1349159567.db2.gz XNLDCTWLOFNYGG-IONNQARKSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]1[C@@H]1CCCO1 ZINC001590109429 1349159571 /nfs/dbraw/zinc/15/95/71/1349159571.db2.gz XNLDCTWLOFNYGG-IONNQARKSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590164581 1349181974 /nfs/dbraw/zinc/18/19/74/1349181974.db2.gz GEEOOIUYSYPMMC-HTRCEHHLSA-N -1 1 331.323 2.341 20 0 EEADMM C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC001590165579 1349182263 /nfs/dbraw/zinc/18/22/63/1349182263.db2.gz NCLFVHDMNPXDJV-IUIKQTSFSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC001590165579 1349182267 /nfs/dbraw/zinc/18/22/67/1349182267.db2.gz NCLFVHDMNPXDJV-IUIKQTSFSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@H]1CCC[C@H](C2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001590242780 1349221254 /nfs/dbraw/zinc/22/12/54/1349221254.db2.gz HQJDWAJIJZXXID-RYUDHWBXSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@H]1CCC[C@H](C2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001590242780 1349221261 /nfs/dbraw/zinc/22/12/61/1349221261.db2.gz HQJDWAJIJZXXID-RYUDHWBXSA-N -1 1 326.404 2.160 20 0 EEADMM C[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590252244 1349226184 /nfs/dbraw/zinc/22/61/84/1349226184.db2.gz XVAWXTYOZSZNTQ-NOZJJQNGSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590279396 1349245274 /nfs/dbraw/zinc/24/52/74/1349245274.db2.gz KJPUZRYIKNCRQI-ZBEGNZNMSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590279396 1349245280 /nfs/dbraw/zinc/24/52/80/1349245280.db2.gz KJPUZRYIKNCRQI-ZBEGNZNMSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1(F)F ZINC001590299351 1349251888 /nfs/dbraw/zinc/25/18/88/1349251888.db2.gz DIEYJLSPFQPUDF-QMMMGPOBSA-N -1 1 325.294 2.123 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1(F)F ZINC001590299351 1349251890 /nfs/dbraw/zinc/25/18/90/1349251890.db2.gz DIEYJLSPFQPUDF-QMMMGPOBSA-N -1 1 325.294 2.123 20 0 EEADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC001590471687 1349346506 /nfs/dbraw/zinc/34/65/06/1349346506.db2.gz LRBITQAEAOXERO-WCQYABFASA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC001590471687 1349346511 /nfs/dbraw/zinc/34/65/11/1349346511.db2.gz LRBITQAEAOXERO-WCQYABFASA-N -1 1 339.403 2.427 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)C(C)(C)O ZINC001590471790 1349346753 /nfs/dbraw/zinc/34/67/53/1349346753.db2.gz NUHOHQNSEJYJBG-VIFPVBQESA-N -1 1 330.314 2.242 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)C(C)(C)O ZINC001590471790 1349346759 /nfs/dbraw/zinc/34/67/59/1349346759.db2.gz NUHOHQNSEJYJBG-VIFPVBQESA-N -1 1 330.314 2.242 20 0 EEADMM CCC(O)(CC)CN(C)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001590473453 1349346974 /nfs/dbraw/zinc/34/69/74/1349346974.db2.gz LBVPRXYFUULMTE-UHFFFAOYSA-N -1 1 344.341 2.268 20 0 EEADMM CCC(O)(CC)CN(C)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001590473453 1349346980 /nfs/dbraw/zinc/34/69/80/1349346980.db2.gz LBVPRXYFUULMTE-UHFFFAOYSA-N -1 1 344.341 2.268 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590478924 1349350435 /nfs/dbraw/zinc/35/04/35/1349350435.db2.gz GPNDRXYRJKVYIL-ZDUSSCGKSA-N -1 1 331.376 2.043 20 0 EEADMM CC[C@H](OC1CCCC1)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590478924 1349350439 /nfs/dbraw/zinc/35/04/39/1349350439.db2.gz GPNDRXYRJKVYIL-ZDUSSCGKSA-N -1 1 331.376 2.043 20 0 EEADMM CCN(CCC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590691985 1349391391 /nfs/dbraw/zinc/39/13/91/1349391391.db2.gz AJVBZTODMDYMQP-UHFFFAOYSA-N -1 1 348.716 2.330 20 0 EEADMM CCOc1cc(Nc2nc(C)cc(-c3nnn[n-]3)n2)ccc1OC ZINC001590828411 1349401523 /nfs/dbraw/zinc/40/15/23/1349401523.db2.gz LWMMITABEZLOLI-UHFFFAOYSA-N -1 1 327.348 2.116 20 0 EEADMM CCOc1cc(Nc2nc(C)cc(-c3nn[n-]n3)n2)ccc1OC ZINC001590828411 1349401526 /nfs/dbraw/zinc/40/15/26/1349401526.db2.gz LWMMITABEZLOLI-UHFFFAOYSA-N -1 1 327.348 2.116 20 0 EEADMM CCc1ncsc1NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590928466 1349416306 /nfs/dbraw/zinc/41/63/06/1349416306.db2.gz VWUUADKLVFOVQN-UHFFFAOYSA-N -1 1 336.327 2.416 20 0 EEADMM CCc1ncsc1NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590928466 1349416308 /nfs/dbraw/zinc/41/63/08/1349416308.db2.gz VWUUADKLVFOVQN-UHFFFAOYSA-N -1 1 336.327 2.416 20 0 EEADMM CO[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001591351606 1349468696 /nfs/dbraw/zinc/46/86/96/1349468696.db2.gz OTAPVUIAEFFDJJ-BDAKNGLRSA-N -1 1 328.298 2.260 20 0 EEADMM CO[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001591351606 1349468703 /nfs/dbraw/zinc/46/87/03/1349468703.db2.gz OTAPVUIAEFFDJJ-BDAKNGLRSA-N -1 1 328.298 2.260 20 0 EEADMM COc1cccc(O[C@H](C)CNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001591641748 1349521180 /nfs/dbraw/zinc/52/11/80/1349521180.db2.gz UMTSJSQTPPABNV-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc(O[C@H](C)CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001591641748 1349521184 /nfs/dbraw/zinc/52/11/84/1349521184.db2.gz UMTSJSQTPPABNV-GFCCVEGCSA-N -1 1 340.387 2.458 20 0 EEADMM COc1cccc([C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001591643388 1349521217 /nfs/dbraw/zinc/52/12/17/1349521217.db2.gz COKPOHLZWRZHTJ-JOCQHMNTSA-N -1 1 337.387 2.332 20 0 EEADMM COc1cccc([C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001591643388 1349521222 /nfs/dbraw/zinc/52/12/22/1349521222.db2.gz COKPOHLZWRZHTJ-JOCQHMNTSA-N -1 1 337.387 2.332 20 0 EEADMM CSC(C)(C)CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591685017 1349528535 /nfs/dbraw/zinc/52/85/35/1349528535.db2.gz MLPLMYLBFHHPIW-UHFFFAOYSA-N -1 1 327.360 2.016 20 0 EEADMM CSC(C)(C)CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591685017 1349528540 /nfs/dbraw/zinc/52/85/40/1349528540.db2.gz MLPLMYLBFHHPIW-UHFFFAOYSA-N -1 1 327.360 2.016 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)cc(-c2nnn[n-]2)n1 ZINC001592043670 1349587116 /nfs/dbraw/zinc/58/71/16/1349587116.db2.gz JFPWTOPICVQTDG-KOLCDFICSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@H]2CC[C@@H](C(F)(F)F)O2)cc(-c2nn[n-]n2)n1 ZINC001592043670 1349587117 /nfs/dbraw/zinc/58/71/17/1349587117.db2.gz JFPWTOPICVQTDG-KOLCDFICSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1ccc(F)c(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001592173756 1349601254 /nfs/dbraw/zinc/60/12/54/1349601254.db2.gz MUQWFQLCLCIHPT-UHFFFAOYSA-N -1 1 325.347 2.013 20 0 EEADMM Cc1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)o1)C[C@@H](C)O2 ZINC001592205749 1349609669 /nfs/dbraw/zinc/60/96/69/1349609669.db2.gz PZBGKQWZIDOSKA-SNVBAGLBSA-N -1 1 325.328 2.196 20 0 EEADMM Cc1cccc(C)c1OCCOc1ccc(F)nc1-c1nn[n-]n1 ZINC001592224790 1349612218 /nfs/dbraw/zinc/61/22/18/1349612218.db2.gz FZHOXXNKLVCQSA-UHFFFAOYSA-N -1 1 329.335 2.475 20 0 EEADMM Cc1cccc(Cl)c1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592231816 1349613354 /nfs/dbraw/zinc/61/33/54/1349613354.db2.gz HHKCHFBKUBBQKF-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1cccc(Cl)c1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592231816 1349613355 /nfs/dbraw/zinc/61/33/55/1349613355.db2.gz HHKCHFBKUBBQKF-UHFFFAOYSA-N -1 1 328.763 2.405 20 0 EEADMM Cc1n[nH]cc1C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001592331619 1349622425 /nfs/dbraw/zinc/62/24/25/1349622425.db2.gz KYLJCDKIXGKGIJ-UHFFFAOYSA-N -1 1 330.421 2.047 20 0 EEADMM Cc1nc2c(cccc2CCNc2cc(-c3nnn[n-]3)nc(C)n2)o1 ZINC001592391477 1349626992 /nfs/dbraw/zinc/62/69/92/1349626992.db2.gz LJYLIQVCTQWORK-UHFFFAOYSA-N -1 1 336.359 2.069 20 0 EEADMM Cc1nc2c(cccc2CCNc2cc(-c3nn[n-]n3)nc(C)n2)o1 ZINC001592391477 1349626993 /nfs/dbraw/zinc/62/69/93/1349626993.db2.gz LJYLIQVCTQWORK-UHFFFAOYSA-N -1 1 336.359 2.069 20 0 EEADMM Cc1ncc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001592408208 1349628067 /nfs/dbraw/zinc/62/80/67/1349628067.db2.gz LAMYSUMZWKZAFY-HYXAFXHYSA-N -1 1 332.414 2.023 20 0 EEADMM Cc1nnc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)c2)o1 ZINC001592440078 1349632933 /nfs/dbraw/zinc/63/29/33/1349632933.db2.gz YKVAFSUZGPMILB-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001592468099 1349634760 /nfs/dbraw/zinc/63/47/60/1349634760.db2.gz AZBXBFVCPALKMF-MRVPVSSYSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001592468099 1349634761 /nfs/dbraw/zinc/63/47/61/1349634761.db2.gz AZBXBFVCPALKMF-MRVPVSSYSA-N -1 1 342.375 2.420 20 0 EEADMM Cc1nsc(N2CCC([C@@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001592472504 1349634787 /nfs/dbraw/zinc/63/47/87/1349634787.db2.gz MSRJXVUTDJZRNF-LBPRGKRZSA-N -1 1 334.449 2.417 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC001592479710 1349635562 /nfs/dbraw/zinc/63/55/62/1349635562.db2.gz OYXKJPNMFXIUOO-QMMMGPOBSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC001592479710 1349635564 /nfs/dbraw/zinc/63/55/64/1349635564.db2.gz OYXKJPNMFXIUOO-QMMMGPOBSA-N -1 1 348.363 2.177 20 0 EEADMM Cc1nsc(N[C@H]2CCO[C@]3(CCSC3)C2)c1-c1nn[n-]n1 ZINC001592486849 1349636371 /nfs/dbraw/zinc/63/63/71/1349636371.db2.gz TXKFWRSYWPXZAL-TVQRCGJNSA-N -1 1 338.462 2.098 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nnn[n-]1 ZINC001592483973 1349636918 /nfs/dbraw/zinc/63/69/18/1349636918.db2.gz STYRGGRYWGZXAO-LPEHRKFASA-N -1 1 333.421 2.332 20 0 EEADMM Cc1nsc(NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)c1-c1nn[n-]n1 ZINC001592483973 1349636920 /nfs/dbraw/zinc/63/69/20/1349636920.db2.gz STYRGGRYWGZXAO-LPEHRKFASA-N -1 1 333.421 2.332 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1csc(C(C)C)n1 ZINC001592502140 1349638176 /nfs/dbraw/zinc/63/81/76/1349638176.db2.gz XVDKCVHZOUMMKA-UHFFFAOYSA-N -1 1 346.416 2.321 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1csc(C(C)C)n1 ZINC001592502140 1349638178 /nfs/dbraw/zinc/63/81/78/1349638178.db2.gz XVDKCVHZOUMMKA-UHFFFAOYSA-N -1 1 346.416 2.321 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1-c1nnn[n-]1 ZINC001592515549 1349644331 /nfs/dbraw/zinc/64/43/31/1349644331.db2.gz GQGZIIGSQQMRMN-ZYHUDNBSSA-N -1 1 346.435 2.379 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001592515549 1349644333 /nfs/dbraw/zinc/64/43/33/1349644333.db2.gz GQGZIIGSQQMRMN-ZYHUDNBSSA-N -1 1 346.435 2.379 20 0 EEADMM Clc1nsc(NCCc2cn3ccccc3n2)c1-c1nnn[n-]1 ZINC001592541989 1349654153 /nfs/dbraw/zinc/65/41/53/1349654153.db2.gz ZCHHQWNODIGZON-UHFFFAOYSA-N -1 1 346.807 2.279 20 0 EEADMM Clc1nsc(NCCc2cn3ccccc3n2)c1-c1nn[n-]n1 ZINC001592541989 1349654154 /nfs/dbraw/zinc/65/41/54/1349654154.db2.gz ZCHHQWNODIGZON-UHFFFAOYSA-N -1 1 346.807 2.279 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@]23CCCO3)c1-c1nnn[n-]1 ZINC001592541826 1349654279 /nfs/dbraw/zinc/65/42/79/1349654279.db2.gz QARCLIWPIJSBQH-KRTXAFLBSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1nsc(N[C@@H]2CCC[C@]23CCCO3)c1-c1nn[n-]n1 ZINC001592541826 1349654280 /nfs/dbraw/zinc/65/42/80/1349654280.db2.gz QARCLIWPIJSBQH-KRTXAFLBSA-N -1 1 326.813 2.490 20 0 EEADMM Clc1sc(N[C@@H]2CCC[C@H]3OCC[C@@H]32)nc1-c1nn[n-]n1 ZINC001592543049 1349655085 /nfs/dbraw/zinc/65/50/85/1349655085.db2.gz LLBGCUHSCWXREN-BWZBUEFSSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1c2ccccc2nc1NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001592555935 1349657830 /nfs/dbraw/zinc/65/78/30/1349657830.db2.gz VJOSVQJGWIYXLD-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Cn1c2ccccc2nc1NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001592555935 1349657832 /nfs/dbraw/zinc/65/78/32/1349657832.db2.gz VJOSVQJGWIYXLD-UHFFFAOYSA-N -1 1 337.318 2.145 20 0 EEADMM Cn1cc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)c(C2CCC2)n1 ZINC001592566172 1349658587 /nfs/dbraw/zinc/65/85/87/1349658587.db2.gz FRECARJNEANFAX-UHFFFAOYSA-N -1 1 344.400 2.286 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC001592588429 1349663536 /nfs/dbraw/zinc/66/35/36/1349663536.db2.gz SQHSPJJOMIBLIT-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1cnc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC001592588429 1349663539 /nfs/dbraw/zinc/66/35/39/1349663539.db2.gz SQHSPJJOMIBLIT-UHFFFAOYSA-N -1 1 325.357 2.067 20 0 EEADMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592606657 1349668400 /nfs/dbraw/zinc/66/84/00/1349668400.db2.gz NOYMUGRKTRWBIQ-LBPRGKRZSA-N -1 1 343.416 2.029 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2cccc(-c3nnn[n-]3)n2)O1 ZINC001592613627 1349670676 /nfs/dbraw/zinc/67/06/76/1349670676.db2.gz IBYUKIBVEWMJMM-PSASIEDQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2cccc(-c3nn[n-]n3)n2)O1 ZINC001592613627 1349670680 /nfs/dbraw/zinc/67/06/80/1349670680.db2.gz IBYUKIBVEWMJMM-PSASIEDQSA-N -1 1 328.298 2.174 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1cc(-c2nnn[n-]2)ncn1 ZINC001592622079 1349677119 /nfs/dbraw/zinc/67/71/19/1349677119.db2.gz NDGMCWSMNNSXFG-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM FC(F)(F)c1cccc2c1CCN2c1cc(-c2nn[n-]n2)ncn1 ZINC001592622079 1349677124 /nfs/dbraw/zinc/67/71/24/1349677124.db2.gz NDGMCWSMNNSXFG-UHFFFAOYSA-N -1 1 333.277 2.370 20 0 EEADMM Fc1ccc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cc1F ZINC001592649631 1349693804 /nfs/dbraw/zinc/69/38/04/1349693804.db2.gz NMGZQLRWUFWZJP-UHFFFAOYSA-N -1 1 329.314 2.424 20 0 EEADMM Fc1ccc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cc1F ZINC001592649631 1349693811 /nfs/dbraw/zinc/69/38/11/1349693811.db2.gz NMGZQLRWUFWZJP-UHFFFAOYSA-N -1 1 329.314 2.424 20 0 EEADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001592955396 1349729335 /nfs/dbraw/zinc/72/93/35/1349729335.db2.gz PTNCMBJCSKKBHI-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001592955396 1349729343 /nfs/dbraw/zinc/72/93/43/1349729343.db2.gz PTNCMBJCSKKBHI-CYBMUJFWSA-N -1 1 326.385 2.204 20 0 EEADMM O=C(NCC[C@H]1CCSC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593065504 1349735763 /nfs/dbraw/zinc/73/57/63/1349735763.db2.gz KDOANIIYRDPCKT-JTQLQIEISA-N -1 1 342.428 2.221 20 0 EEADMM O=C(NCc1nc2c(s1)CCCC2)c1csc(-c2nn[n-]n2)c1 ZINC001593152576 1349743528 /nfs/dbraw/zinc/74/35/28/1349743528.db2.gz HGPULPTVFDCUQT-UHFFFAOYSA-N -1 1 346.441 2.194 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(Cl)ccnc1F ZINC001593202641 1349745875 /nfs/dbraw/zinc/74/58/75/1349745875.db2.gz LGSRNUGIHJGHSD-UHFFFAOYSA-N -1 1 334.698 2.012 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593242935 1349748529 /nfs/dbraw/zinc/74/85/29/1349748529.db2.gz FBMXFQGRJZXMQG-JGVFFNPUSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001593242935 1349748530 /nfs/dbraw/zinc/74/85/30/1349748530.db2.gz FBMXFQGRJZXMQG-JGVFFNPUSA-N -1 1 326.282 2.179 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593257298 1349753026 /nfs/dbraw/zinc/75/30/26/1349753026.db2.gz VWDMSDGZMQDFKJ-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593257298 1349753029 /nfs/dbraw/zinc/75/30/29/1349753029.db2.gz VWDMSDGZMQDFKJ-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1n[nH]c2ccc(F)cc21)c1csc(-c2nn[n-]n2)c1 ZINC001593262368 1349754146 /nfs/dbraw/zinc/75/41/46/1349754146.db2.gz HMZZRRUYHHTIST-UHFFFAOYSA-N -1 1 329.320 2.196 20 0 EEADMM O=C(OC[C@H]1CCOc2ccccc21)c1coc(-c2nnn[n-]2)c1 ZINC001593287347 1349764149 /nfs/dbraw/zinc/76/41/49/1349764149.db2.gz VTMWFKBKGWUJEN-SNVBAGLBSA-N -1 1 326.312 2.183 20 0 EEADMM O=C(OC[C@H]1CCOc2ccccc21)c1coc(-c2nn[n-]n2)c1 ZINC001593287347 1349764152 /nfs/dbraw/zinc/76/41/52/1349764152.db2.gz VTMWFKBKGWUJEN-SNVBAGLBSA-N -1 1 326.312 2.183 20 0 EEADMM O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593307014 1349776702 /nfs/dbraw/zinc/77/67/02/1349776702.db2.gz FPBIMRHGNZIUCJ-LJGSYFOKSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593307014 1349776709 /nfs/dbraw/zinc/77/67/09/1349776709.db2.gz FPBIMRHGNZIUCJ-LJGSYFOKSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2c(F)cc(F)cc2C1 ZINC001593361978 1349790894 /nfs/dbraw/zinc/79/08/94/1349790894.db2.gz FKZZTSCUOMYFMA-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2c(F)cc(F)cc2C1 ZINC001593361978 1349790896 /nfs/dbraw/zinc/79/08/96/1349790896.db2.gz FKZZTSCUOMYFMA-UHFFFAOYSA-N -1 1 347.350 2.405 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCc2cc(F)c(F)c(F)c21 ZINC001593369479 1349791969 /nfs/dbraw/zinc/79/19/69/1349791969.db2.gz LLFZQLKWYBWCHQ-UHFFFAOYSA-N -1 1 349.272 2.470 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCc2cc(F)c(F)c(F)c21 ZINC001593369479 1349791973 /nfs/dbraw/zinc/79/19/73/1349791973.db2.gz LLFZQLKWYBWCHQ-UHFFFAOYSA-N -1 1 349.272 2.470 20 0 EEADMM O=C1[C@H](Sc2cccnc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC001593382569 1349795130 /nfs/dbraw/zinc/79/51/30/1349795130.db2.gz PPEMZUIZMZEDDM-CYBMUJFWSA-N -1 1 338.396 2.159 20 0 EEADMM O=C1[C@H](Sc2cccnc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC001593382569 1349795134 /nfs/dbraw/zinc/79/51/34/1349795134.db2.gz PPEMZUIZMZEDDM-CYBMUJFWSA-N -1 1 338.396 2.159 20 0 EEADMM O=S(=O)(Oc1c(Cl)cc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC001593446884 1349801596 /nfs/dbraw/zinc/80/15/96/1349801596.db2.gz GIASUSZUBPFGNS-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc(F)cc1Cl)CCC2 ZINC001593491252 1349817102 /nfs/dbraw/zinc/81/71/02/1349817102.db2.gz ZOLAHNCTPPBYGJ-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1CC1(Cl)Cl)CCCC2 ZINC001593492467 1349818140 /nfs/dbraw/zinc/81/81/40/1349818140.db2.gz QOIMIVQUHUFQLY-VIFPVBQESA-N -1 1 340.214 2.101 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCCCC(F)(F)F)CCC2 ZINC001593492744 1349818777 /nfs/dbraw/zinc/81/87/77/1349818777.db2.gz WWAVITDTHHINOI-UHFFFAOYSA-N -1 1 327.310 2.250 20 0 EEADMM OC1(C2CCC2)CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001593510182 1349825140 /nfs/dbraw/zinc/82/51/40/1349825140.db2.gz DZIVJMVVDZDELR-UHFFFAOYSA-N -1 1 340.840 2.108 20 0 EEADMM OC1(C2CCC2)CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001593510182 1349825144 /nfs/dbraw/zinc/82/51/44/1349825144.db2.gz DZIVJMVVDZDELR-UHFFFAOYSA-N -1 1 340.840 2.108 20 0 EEADMM OCCOc1ccc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)cc1 ZINC001593532414 1349834209 /nfs/dbraw/zinc/83/42/09/1349834209.db2.gz XAEVPLOONAAEPJ-UHFFFAOYSA-N -1 1 338.780 2.091 20 0 EEADMM OCCOc1ccc(Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001593532414 1349834215 /nfs/dbraw/zinc/83/42/15/1349834215.db2.gz XAEVPLOONAAEPJ-UHFFFAOYSA-N -1 1 338.780 2.091 20 0 EEADMM c1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c2c(c1)COCC2 ZINC001593553900 1349845949 /nfs/dbraw/zinc/84/59/49/1349845949.db2.gz 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/nfs/dbraw/zinc/93/68/49/1350936849.db2.gz QFLXCPZDDWPILJ-MWLCHTKSSA-N -1 1 347.346 2.459 20 0 EEADMM CCc1cc(NC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)no1 ZINC001604518079 1350953535 /nfs/dbraw/zinc/95/35/35/1350953535.db2.gz YOHKMLHXQNZBTL-UHFFFAOYSA-N -1 1 349.301 2.017 20 0 EEADMM CCc1cc(NC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)no1 ZINC001604518079 1350953537 /nfs/dbraw/zinc/95/35/37/1350953537.db2.gz YOHKMLHXQNZBTL-UHFFFAOYSA-N -1 1 349.301 2.017 20 0 EEADMM CCc1nc(NCCCOc2cccc(F)c2)cc(-c2nnn[n-]2)n1 ZINC001604565716 1350961369 /nfs/dbraw/zinc/96/13/69/1350961369.db2.gz GXZGRZQEVFCSJB-UHFFFAOYSA-N -1 1 343.366 2.239 20 0 EEADMM CCc1nc(NCCCOc2cccc(F)c2)cc(-c2nn[n-]n2)n1 ZINC001604565716 1350961371 /nfs/dbraw/zinc/96/13/71/1350961371.db2.gz GXZGRZQEVFCSJB-UHFFFAOYSA-N -1 1 343.366 2.239 20 0 EEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1Cc1oncc1C(=O)[O-] ZINC001604673427 1350981756 /nfs/dbraw/zinc/98/17/56/1350981756.db2.gz FOUBQRCQUNKHKB-WDEREUQCSA-N -1 1 339.392 2.250 20 0 EEADMM C[C@H]1CCCCN1C(=O)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604730655 1350993407 /nfs/dbraw/zinc/99/34/07/1350993407.db2.gz SKCSYALAGVWJSP-NWDGAFQWSA-N -1 1 337.445 2.032 20 0 EEADMM C[C@H]1CN(Cc2oncc2C(=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC001604802770 1351009495 /nfs/dbraw/zinc/00/94/95/1351009495.db2.gz NDLCWTJOCGVICY-CMPLNLGQSA-N -1 1 339.392 2.108 20 0 EEADMM C[C@@H]1Cc2ccc(Br)cc2CN1C[C@@](C)(O)C(=O)[O-] ZINC001604825423 1351016262 /nfs/dbraw/zinc/01/62/62/1351016262.db2.gz HDBIHEKIZQLIHI-YMTOWFKASA-N -1 1 328.206 2.031 20 0 EEADMM COCCOCc1cccc(-c2sc(-c3nn[n-]n3)nc2C)c1 ZINC001605112901 1351080419 /nfs/dbraw/zinc/08/04/19/1351080419.db2.gz JTUBOJMJOLJZGG-UHFFFAOYSA-N -1 1 331.401 2.462 20 0 EEADMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001605178231 1351096549 /nfs/dbraw/zinc/09/65/49/1351096549.db2.gz FPKZBOTZUPCHGD-CYBMUJFWSA-N -1 1 335.404 2.341 20 0 EEADMM COc1ccc2c(c1)CCCN(C(=O)c1ccc(-c3nnn[n-]3)o1)C2 ZINC001605308010 1351131722 /nfs/dbraw/zinc/13/17/22/1351131722.db2.gz JAGOMXLLVPUDCB-UHFFFAOYSA-N -1 1 339.355 2.057 20 0 EEADMM COc1ccc2c(c1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)o1)C2 ZINC001605308010 1351131725 /nfs/dbraw/zinc/13/17/25/1351131725.db2.gz JAGOMXLLVPUDCB-UHFFFAOYSA-N -1 1 339.355 2.057 20 0 EEADMM CCCN(Cc1cnc(C(=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC001605320786 1351135480 /nfs/dbraw/zinc/13/54/80/1351135480.db2.gz PAAVCQCDWVGWMC-CQSZACIVSA-N -1 1 343.383 2.227 20 0 EEADMM CSCc1cnc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)s1 ZINC001605380296 1351149111 /nfs/dbraw/zinc/14/91/11/1351149111.db2.gz JELFYONTAGCDRR-UHFFFAOYSA-N -1 1 348.461 2.399 20 0 EEADMM CSCc1cnc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)s1 ZINC001605380296 1351149113 /nfs/dbraw/zinc/14/91/13/1351149113.db2.gz JELFYONTAGCDRR-UHFFFAOYSA-N -1 1 348.461 2.399 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2cccc(-c3cnco3)c2)n1 ZINC001605582357 1351194363 /nfs/dbraw/zinc/19/43/63/1351194363.db2.gz QZXKCEKNYUJSOU-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2cccc(-c3cnco3)c2)n1 ZINC001605582357 1351194364 /nfs/dbraw/zinc/19/43/64/1351194364.db2.gz QZXKCEKNYUJSOU-UHFFFAOYSA-N -1 1 334.343 2.232 20 0 EEADMM Cc1cc(C)n(-c2ccc(CNc3cccnc3-c3nnn[n-]3)cn2)n1 ZINC001605649390 1351210140 /nfs/dbraw/zinc/21/01/40/1351210140.db2.gz KKSKDLWUUGWUDO-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1cc(C)n(-c2ccc(CNc3cccnc3-c3nn[n-]n3)cn2)n1 ZINC001605649390 1351210143 /nfs/dbraw/zinc/21/01/43/1351210143.db2.gz KKSKDLWUUGWUDO-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM CCc1[nH]c(CN[C@@H](C)C(=O)Nc2cccnc2C)cc1C(=O)[O-] ZINC001605775311 1351222297 /nfs/dbraw/zinc/22/22/97/1351222297.db2.gz FZDHODHQJBVQRJ-NSHDSACASA-N -1 1 330.388 2.096 20 0 EEADMM Cc1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2nnn[n-]2)n1 ZINC001605864756 1351240668 /nfs/dbraw/zinc/24/06/68/1351240668.db2.gz LLJFARXFZPVFLS-CQSZACIVSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2nn[n-]n2)n1 ZINC001605864756 1351240670 /nfs/dbraw/zinc/24/06/70/1351240670.db2.gz LLJFARXFZPVFLS-CQSZACIVSA-N -1 1 340.362 2.367 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c(-c2nnn[n-]2)n1 ZINC001605871969 1351242721 /nfs/dbraw/zinc/24/27/21/1351242721.db2.gz PHOWNJLMOCGYAV-DZGCQCFKSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@H]2CCO[C@@H](c3ccncc3)C2)c(-c2nn[n-]n2)n1 ZINC001605871969 1351242723 /nfs/dbraw/zinc/24/27/23/1351242723.db2.gz PHOWNJLMOCGYAV-DZGCQCFKSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(NC[C@H]2CC[C@H](C(F)(F)F)O2)c(-c2nnn[n-]2)n1 ZINC001605873691 1351243104 /nfs/dbraw/zinc/24/31/04/1351243104.db2.gz GURKKVZBYYFMRP-PSASIEDQSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1ccc(NC[C@H]2CC[C@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001605873691 1351243105 /nfs/dbraw/zinc/24/31/05/1351243105.db2.gz GURKKVZBYYFMRP-PSASIEDQSA-N -1 1 328.298 2.092 20 0 EEADMM CCc1noc(C)c1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001605876242 1351244143 /nfs/dbraw/zinc/24/41/43/1351244143.db2.gz DOUQMNLBPRRKAT-UHFFFAOYSA-N -1 1 330.387 2.414 20 0 EEADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC001605883408 1351246290 /nfs/dbraw/zinc/24/62/90/1351246290.db2.gz VXFQQCNTXYWZEM-MEDUHNTESA-N -1 1 330.384 2.287 20 0 EEADMM Cc1ccc2oc(SCc3nc(-c4nnn[n-]4)cs3)nc2n1 ZINC001605895533 1351249303 /nfs/dbraw/zinc/24/93/03/1351249303.db2.gz WODRUXWKKVEZKL-UHFFFAOYSA-N -1 1 331.386 2.460 20 0 EEADMM Cc1ccc2oc(SCc3nc(-c4nn[n-]n4)cs3)nc2n1 ZINC001605895533 1351249305 /nfs/dbraw/zinc/24/93/05/1351249305.db2.gz WODRUXWKKVEZKL-UHFFFAOYSA-N -1 1 331.386 2.460 20 0 EEADMM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001605916888 1351253823 /nfs/dbraw/zinc/25/38/23/1351253823.db2.gz VYZMROZCZGURKD-UHFFFAOYSA-N -1 1 347.400 2.372 20 0 EEADMM Cc1ccn(-c2ccc(NCc3cccc(-c4nnn[n-]4)n3)cc2)n1 ZINC001605947624 1351257430 /nfs/dbraw/zinc/25/74/30/1351257430.db2.gz BEJGANPLEDJUHB-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccn(-c2ccc(NCc3cccc(-c4nn[n-]n4)n3)cc2)n1 ZINC001605947624 1351257435 /nfs/dbraw/zinc/25/74/35/1351257435.db2.gz BEJGANPLEDJUHB-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]2C2CCCC2)c1-c1nn[n-]n1 ZINC001606139860 1351278082 /nfs/dbraw/zinc/27/80/82/1351278082.db2.gz XCMPVJPBOPXKRD-GHMZBOCLSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@@H]2C[C@@H]2C2CCCC2)c1-c1nnn[n-]1 ZINC001606139860 1351278079 /nfs/dbraw/zinc/27/80/79/1351278079.db2.gz XCMPVJPBOPXKRD-GHMZBOCLSA-N -1 1 332.433 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001606169391 1351280422 /nfs/dbraw/zinc/28/04/22/1351280422.db2.gz IZLGAURWEZLLNG-UHFFFAOYSA-N -1 1 337.295 2.127 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001606169391 1351280425 /nfs/dbraw/zinc/28/04/25/1351280425.db2.gz IZLGAURWEZLLNG-UHFFFAOYSA-N -1 1 337.295 2.127 20 0 EEADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC001606580520 1351326104 /nfs/dbraw/zinc/32/61/04/1351326104.db2.gz IXKYOSPJIDPSCF-NEPJUHHUSA-N -1 1 348.399 2.230 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606721902 1351346665 /nfs/dbraw/zinc/34/66/65/1351346665.db2.gz DOGCBSLZDZAFKL-NSHDSACASA-N -1 1 345.378 2.085 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606721902 1351346667 /nfs/dbraw/zinc/34/66/67/1351346667.db2.gz DOGCBSLZDZAFKL-NSHDSACASA-N -1 1 345.378 2.085 20 0 EEADMM O=C(NC[C@H]1CCCC12CC2)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606727911 1351348089 /nfs/dbraw/zinc/34/80/89/1351348089.db2.gz VDHIPVJETMGZMS-SNVBAGLBSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NC[C@H]1CCCC12CC2)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606727911 1351348092 /nfs/dbraw/zinc/34/80/92/1351348092.db2.gz VDHIPVJETMGZMS-SNVBAGLBSA-N -1 1 333.342 2.455 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc2c1CCCCC2 ZINC001606842023 1351365953 /nfs/dbraw/zinc/36/59/53/1351365953.db2.gz CCVMVQACFKIBSK-UHFFFAOYSA-N -1 1 348.410 2.461 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc2c1CCCCC2 ZINC001606842023 1351365955 /nfs/dbraw/zinc/36/59/55/1351365955.db2.gz CCVMVQACFKIBSK-UHFFFAOYSA-N -1 1 348.410 2.461 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCc2sccc21 ZINC001606842049 1351366126 /nfs/dbraw/zinc/36/61/26/1351366126.db2.gz FAPJWJWANKXXOF-LBPRGKRZSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCc2sccc21 ZINC001606842049 1351366128 /nfs/dbraw/zinc/36/61/28/1351366128.db2.gz FAPJWJWANKXXOF-LBPRGKRZSA-N -1 1 340.412 2.060 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H](c1ccccc1)C1CC1 ZINC001606953494 1351384031 /nfs/dbraw/zinc/38/40/31/1351384031.db2.gz SVNUIKWDZUTQFO-LBPRGKRZSA-N -1 1 326.385 2.456 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H](c1ccccc1)C1CC1 ZINC001606953494 1351384033 /nfs/dbraw/zinc/38/40/33/1351384033.db2.gz SVNUIKWDZUTQFO-LBPRGKRZSA-N -1 1 326.385 2.456 20 0 EEADMM O=C(OCc1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001606981918 1351391866 /nfs/dbraw/zinc/39/18/66/1351391866.db2.gz DMIQLZDTFIUOJE-UHFFFAOYSA-N -1 1 336.254 2.418 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC001607031564 1351401757 /nfs/dbraw/zinc/40/17/57/1351401757.db2.gz GRHPTMMXBRRFSZ-WDEREUQCSA-N -1 1 335.458 2.428 20 0 EEADMM O=Cc1cccc(Oc2ncncc2-c2nnn[n-]2)c1Br ZINC001607056789 1351405356 /nfs/dbraw/zinc/40/53/56/1351405356.db2.gz PRWXJYPRCWUAJP-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=Cc1cccc(Oc2ncncc2-c2nn[n-]n2)c1Br ZINC001607056789 1351405359 /nfs/dbraw/zinc/40/53/59/1351405359.db2.gz PRWXJYPRCWUAJP-UHFFFAOYSA-N -1 1 347.132 2.024 20 0 EEADMM O=S(=O)(Oc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)o1 ZINC001607070374 1351406520 /nfs/dbraw/zinc/40/65/20/1351406520.db2.gz XSDQPNJRYQHDEY-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM c1c(NC2C[C@H]3CC[C@@H](C2)S3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607113583 1351424075 /nfs/dbraw/zinc/42/40/75/1351424075.db2.gz BIVYSQQINIYZNF-FGWVZKOKSA-N -1 1 329.433 2.373 20 0 EEADMM c1c(NC2C[C@H]3CC[C@@H](C2)S3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607113583 1351424078 /nfs/dbraw/zinc/42/40/78/1351424078.db2.gz BIVYSQQINIYZNF-FGWVZKOKSA-N -1 1 329.433 2.373 20 0 EEADMM c1ccc([C@@H](Nc2ccnc(-c3nnn[n-]3)c2)C2CCOCC2)cc1 ZINC001607127338 1351430201 /nfs/dbraw/zinc/43/02/01/1351430201.db2.gz WTEAQQAHGQXFKT-QGZVFWFLSA-N -1 1 336.399 2.263 20 0 EEADMM c1ccc([C@@H](Nc2ccnc(-c3nn[n-]n3)c2)C2CCOCC2)cc1 ZINC001607127338 1351430204 /nfs/dbraw/zinc/43/02/04/1351430204.db2.gz WTEAQQAHGQXFKT-QGZVFWFLSA-N -1 1 336.399 2.263 20 0 EEADMM c1csc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)c2ccccc2)n1 ZINC001607127004 1351430332 /nfs/dbraw/zinc/43/03/32/1351430332.db2.gz SLIPPYYNFZPQHM-ZDUSSCGKSA-N -1 1 336.384 2.315 20 0 EEADMM c1csc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)c2ccccc2)n1 ZINC001607127004 1351430334 /nfs/dbraw/zinc/43/03/34/1351430334.db2.gz SLIPPYYNFZPQHM-ZDUSSCGKSA-N -1 1 336.384 2.315 20 0 EEADMM c1oc(-c2nnn[n-]2)cc1-c1nc([C@H]2CCOC3(CCC3)C2)no1 ZINC001607138006 1351436438 /nfs/dbraw/zinc/43/64/38/1351436438.db2.gz MGYSPIUKAXFHDI-VIFPVBQESA-N -1 1 328.332 2.326 20 0 EEADMM c1oc(-c2nn[n-]n2)cc1-c1nc([C@H]2CCOC3(CCC3)C2)no1 ZINC001607138006 1351436442 /nfs/dbraw/zinc/43/64/42/1351436442.db2.gz MGYSPIUKAXFHDI-VIFPVBQESA-N -1 1 328.332 2.326 20 0 EEADMM COc1cc(F)cc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001607170218 1351442585 /nfs/dbraw/zinc/44/25/85/1351442585.db2.gz BEMNWTZAPFVORB-INIZCTEOSA-N -1 1 335.331 2.464 20 0 EEADMM COc1ccccc1C[C@H](CNC(=O)c1ccc(F)cc1O)C(=O)[O-] ZINC001607342539 1351478737 /nfs/dbraw/zinc/47/87/37/1351478737.db2.gz BDPLNNFAEOIIFH-GFCCVEGCSA-N -1 1 347.342 2.213 20 0 EEADMM Cc1[nH]c(C(=O)NC[C@H]2CCN2Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001607491201 1351503539 /nfs/dbraw/zinc/50/35/39/1351503539.db2.gz RNWVPGXUXRGHCX-OAHLLOKOSA-N -1 1 341.411 2.334 20 0 EEADMM Cc1cc(C2OCCO2)c(C)cc1CN1CCO[C@H](CC(=O)[O-])C1 ZINC001607634382 1351530074 /nfs/dbraw/zinc/53/00/74/1351530074.db2.gz GSCWIFXJZSGKNW-OAHLLOKOSA-N -1 1 335.400 2.024 20 0 EEADMM Cc1ccc([C@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001607750557 1351551569 /nfs/dbraw/zinc/55/15/69/1351551569.db2.gz LWFYOEZPTSDALX-CVEARBPZSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)N[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001607755509 1351552426 /nfs/dbraw/zinc/55/24/26/1351552426.db2.gz ZJYURCGSDRHTPL-HIFRSBDPSA-N -1 1 342.399 2.091 20 0 EEADMM Cc1cccc([C@@H]2C(=O)NCCN2C[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001607847224 1351570308 /nfs/dbraw/zinc/57/03/08/1351570308.db2.gz ISILEYWZNMXIQD-IXDOHACOSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1cccc([C@@H]2C(=O)NCCN2C[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001607847217 1351570525 /nfs/dbraw/zinc/57/05/25/1351570525.db2.gz ISILEYWZNMXIQD-BRWVUGGUSA-N -1 1 330.428 2.359 20 0 EEADMM Cc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001607885005 1351578751 /nfs/dbraw/zinc/57/87/51/1351578751.db2.gz CTLAXRHOPATAGD-XIRDDKMYSA-N -1 1 346.427 2.278 20 0 EEADMM Cc1ccncc1CN1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001607898161 1351581621 /nfs/dbraw/zinc/58/16/21/1351581621.db2.gz QMYYKPRSARYDAX-OAHLLOKOSA-N -1 1 349.431 2.286 20 0 EEADMM Cc1cnc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c(O)c1 ZINC001607905505 1351583020 /nfs/dbraw/zinc/58/30/20/1351583020.db2.gz PBYPHUURTJNTGZ-UHFFFAOYSA-N -1 1 344.323 2.207 20 0 EEADMM Cc1nn(CC(F)F)cc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001608006109 1351602635 /nfs/dbraw/zinc/60/26/35/1351602635.db2.gz KZTQDUGHPSBHGF-UHFFFAOYSA-N -1 1 349.297 2.283 20 0 EEADMM O=C([O-])[C@]12C[N@@H+](CC(=O)Nc3c(F)cccc3F)C[C@H]1CCCC2 ZINC001608337385 1351673604 /nfs/dbraw/zinc/67/36/04/1351673604.db2.gz VOHAUYROYZSGPG-PIGZYNQJSA-N -1 1 338.354 2.480 20 0 EEADMM O=C([O-])[C@]12CN(CC(=O)Nc3c(F)cccc3F)C[C@H]1CCCC2 ZINC001608337385 1351673611 /nfs/dbraw/zinc/67/36/11/1351673611.db2.gz VOHAUYROYZSGPG-PIGZYNQJSA-N -1 1 338.354 2.480 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000038105330 1352415840 /nfs/dbraw/zinc/41/58/40/1352415840.db2.gz XNVSETNYLNQNHN-SNVBAGLBSA-N -1 1 332.834 2.117 20 0 EEADMM CSc1nc(CNC(=O)c2cccc3c2ccn3C)cc(=O)[n-]1 ZINC001627728387 1352508427 /nfs/dbraw/zinc/50/84/27/1352508427.db2.gz WFZFJXVPNYSOAE-UHFFFAOYSA-N -1 1 328.397 2.326 20 0 EEADMM CN(C)c1cncc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC001642398088 1352730577 /nfs/dbraw/zinc/73/05/77/1352730577.db2.gz XPMWPMAUHRUJBA-UHFFFAOYSA-N -1 1 335.367 2.354 20 0 EEADMM CN(C)c1cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)ccn1 ZINC001645791455 1352801242 /nfs/dbraw/zinc/80/12/42/1352801242.db2.gz PFQFOIKDLGKQBN-UHFFFAOYSA-N -1 1 334.323 2.295 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC001647128976 1353155393 /nfs/dbraw/zinc/15/53/93/1353155393.db2.gz VPOWSPBCWQBGQE-MCCGJVOXSA-N -1 1 349.399 2.311 20 0 EEADMM COC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001647129724 1353155805 /nfs/dbraw/zinc/15/58/05/1353155805.db2.gz IMOZJBJGSLKMGQ-UHFFFAOYSA-N -1 1 346.305 2.325 20 0 EEADMM CN(c1nnc(Cc2nnn[n-]2)n1CC1CC1)C1CCC(C)(C)CC1 ZINC001649289217 1353460175 /nfs/dbraw/zinc/46/01/75/1353460175.db2.gz VOBQANXBSIEQMX-UHFFFAOYSA-N -1 1 344.467 2.197 20 0 EEADMM CN(c1nnc(Cc2nn[n-]n2)n1CC1CC1)C1CCC(C)(C)CC1 ZINC001649289217 1353460178 /nfs/dbraw/zinc/46/01/78/1353460178.db2.gz VOBQANXBSIEQMX-UHFFFAOYSA-N -1 1 344.467 2.197 20 0 EEADMM Cc1cc2cccnc2c(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)c1 ZINC001649991283 1353678500 /nfs/dbraw/zinc/67/85/00/1353678500.db2.gz ZZEUPCLPBFAGMW-LBPRGKRZSA-N -1 1 348.346 2.135 20 0 EEADMM CN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1cccc2ccoc21 ZINC001650010143 1353686947 /nfs/dbraw/zinc/68/69/47/1353686947.db2.gz JXNRKAYOXVEMNX-UHFFFAOYSA-N -1 1 330.384 2.188 20 0 EEADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc4ncoc4c3)cc2o1 ZINC000074838423 1354368400 /nfs/dbraw/zinc/36/84/00/1354368400.db2.gz LWJIKGDOTSKOKF-UHFFFAOYSA-N -1 1 331.309 2.063 20 0 EEADMM CSc1nc(CNC(=O)Nc2cc3cc[nH]c3cn2)cc(=O)[n-]1 ZINC001672691704 1356566362 /nfs/dbraw/zinc/56/63/62/1356566362.db2.gz OBQQMCUDZAEWQY-UHFFFAOYSA-N -1 1 330.373 2.102 20 0 EEADMM CN(C)C(=O)c1cccc(NC(=O)Nc2ccc3c(c2)OCO3)c1[O-] ZINC001187872963 1368272418 /nfs/dbraw/zinc/27/24/18/1368272418.db2.gz 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1369383046 /nfs/dbraw/zinc/38/30/46/1369383046.db2.gz MHAKZSXLYFAXSV-UHFFFAOYSA-N -1 1 344.392 2.449 20 0 EEADMM Cc1nc(C)c(C)c(NC2(CNC(=O)c3ncccc3[O-])CCC2)n1 ZINC001111788275 1371254112 /nfs/dbraw/zinc/25/41/12/1371254112.db2.gz KCKIUBWPLGUBFQ-UHFFFAOYSA-N -1 1 341.415 2.267 20 0 EEADMM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2c[nH]nc2Cl)c1 ZINC000830155664 1372314805 /nfs/dbraw/zinc/31/48/05/1372314805.db2.gz IPDWVLWEDBYHKD-SNVBAGLBSA-N -1 1 329.809 2.117 20 0 EEADMM CCCOC(=O)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000830775042 1372349297 /nfs/dbraw/zinc/34/92/97/1372349297.db2.gz YCSQZQVLAPYUER-UHFFFAOYSA-N -1 1 329.349 2.194 20 0 EEADMM Oc1cccnc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001138392856 1372390331 /nfs/dbraw/zinc/39/03/31/1372390331.db2.gz NQDMADGPIVDEBF-YTQUADARSA-N -1 1 341.411 2.131 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C(C)(C)O)C1 ZINC000832484892 1372446175 /nfs/dbraw/zinc/44/61/75/1372446175.db2.gz AIJPJUPRGXBVCE-GFCCVEGCSA-N -1 1 335.448 2.411 20 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CC(C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001390004429 1388404423 /nfs/dbraw/zinc/40/44/23/1388404423.db2.gz JHOANZVSVAAELP-GOOCMWNKSA-N -1 1 345.443 2.475 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC001372576317 1376087158 /nfs/dbraw/zinc/08/71/58/1376087158.db2.gz MYWHAAJVVFYODU-BJDJZHNGSA-N -1 1 335.370 2.416 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cc(C)cs1 ZINC001390386541 1388617556 /nfs/dbraw/zinc/61/75/56/1388617556.db2.gz XMLCRWQCZSAOJW-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CC1(C)C[C@@H]1C(=O)NC[C@]1(C)CCCN(C(=O)c2ncccc2[O-])C1 ZINC001380026987 1381006581 /nfs/dbraw/zinc/00/65/81/1381006581.db2.gz QADKMDWGXIYXNW-YJYMSZOUSA-N -1 1 345.443 2.192 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)c1ccccc1 ZINC001383673087 1382631459 /nfs/dbraw/zinc/63/14/59/1382631459.db2.gz ASMPNCRQDMPIEL-CYBMUJFWSA-N -1 1 327.384 2.068 20 0 EEADMM CC[C@H](C)CC(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385469797 1385598477 /nfs/dbraw/zinc/59/84/77/1385598477.db2.gz VXHSOGAHMKJDCG-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)CC1CCCC1 ZINC001387421946 1386721715 /nfs/dbraw/zinc/72/17/15/1386721715.db2.gz CTVQVYABYKHPQO-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001387563041 1386844997 /nfs/dbraw/zinc/84/49/97/1386844997.db2.gz RBJDIPRQZLYILM-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)CCCc1cccs1 ZINC001387698211 1386948298 /nfs/dbraw/zinc/94/82/98/1386948298.db2.gz ZKWZTJXKJQHPRR-UHFFFAOYSA-N -1 1 347.440 2.060 20 0 EEADMM CN(CCNC(=O)c1cnc(C2CC2)[n-]c1=O)C(=O)CCC(C)(C)C ZINC001387747659 1386975774 /nfs/dbraw/zinc/97/57/74/1386975774.db2.gz PUZYAXACPDTWIM-UHFFFAOYSA-N -1 1 348.447 2.074 20 0 EEADMM CCCN(C(=O)c1ccccc1O)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001391264951 1389178718 /nfs/dbraw/zinc/17/87/18/1389178718.db2.gz CILNXQJXAWHSBE-MRXNPFEDSA-N -1 1 342.443 2.252 20 0 EEADMM C[C@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)c1cccs1 ZINC001391814034 1389624342 /nfs/dbraw/zinc/62/43/42/1389624342.db2.gz WDDXWYIETILEIR-ZBEGNZNMSA-N -1 1 349.460 2.040 20 0 EEADMM CCCC1(C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001397694616 1391430500 /nfs/dbraw/zinc/43/05/00/1391430500.db2.gz LHFVUAGNVUODGA-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)CC1CCCCC1 ZINC001398091738 1391688471 /nfs/dbraw/zinc/68/84/71/1391688471.db2.gz YYQXHOVYPXCLLU-UHFFFAOYSA-N -1 1 333.432 2.336 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC/C(Cl)=C/Cl)c1[O-] ZINC001398761598 1394178096 /nfs/dbraw/zinc/17/80/96/1394178096.db2.gz VHWLESDKSDEWBZ-SDKXAQGSSA-N -1 1 347.246 2.327 20 0 EEADMM C[C@@]1(CNC(=O)c2ncccc2[O-])CCN(C(=O)c2ccccc2)C1 ZINC001400927802 1396734749 /nfs/dbraw/zinc/73/47/49/1396734749.db2.gz FXZJTKTUKOTBGY-IBGZPJMESA-N -1 1 339.395 2.069 20 0 EEADMM CC(C)C(=O)Nc1ccc(Oc2ncncc2-c2nnn[n-]2)cc1 ZINC001573976849 1403518537 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CSc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001580235661 1403851307 /nfs/dbraw/zinc/85/13/07/1403851307.db2.gz VNWDIUAWWLUPJM-UHFFFAOYSA-N -1 1 342.384 2.250 20 0 EEADMM CCOc1ccc(CCN(C)C(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001590835452 1403900455 /nfs/dbraw/zinc/90/04/55/1403900455.db2.gz IKNWVUZVFQIYAE-UHFFFAOYSA-N -1 1 341.371 2.173 20 0 EEADMM CCOc1ccc(CCN(C)C(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001590835452 1403900458 /nfs/dbraw/zinc/90/04/58/1403900458.db2.gz IKNWVUZVFQIYAE-UHFFFAOYSA-N -1 1 341.371 2.173 20 0 EEADMM CSCC[C@@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591700766 1403941028 /nfs/dbraw/zinc/94/10/28/1403941028.db2.gz UHLAVHFBFOAQSB-SSDOTTSWSA-N -1 1 327.360 2.016 20 0 EEADMM CSCC[C@@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591700766 1403941032 /nfs/dbraw/zinc/94/10/32/1403941032.db2.gz UHLAVHFBFOAQSB-SSDOTTSWSA-N -1 1 327.360 2.016 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](COCC(C)C)c2ccco2)n1 ZINC001591892234 1403970371 /nfs/dbraw/zinc/97/03/71/1403970371.db2.gz SBVUTGYSGJRLFN-ZDUSSCGKSA-N -1 1 343.391 2.384 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](COCC(C)C)c2ccco2)n1 ZINC001591892234 1403970376 /nfs/dbraw/zinc/97/03/76/1403970376.db2.gz SBVUTGYSGJRLFN-ZDUSSCGKSA-N -1 1 343.391 2.384 20 0 EEADMM Cc1cc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)cc(Cl)n1 ZINC001591967762 1403975592 /nfs/dbraw/zinc/97/55/92/1403975592.db2.gz VXMQFYRAFDRSLN-UHFFFAOYSA-N -1 1 346.753 2.293 20 0 EEADMM Cc1cc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)cc(Cl)n1 ZINC001591967762 1403975599 /nfs/dbraw/zinc/97/55/99/1403975599.db2.gz VXMQFYRAFDRSLN-UHFFFAOYSA-N -1 1 346.753 2.293 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001592137583 1404005535 /nfs/dbraw/zinc/00/55/35/1404005535.db2.gz LBUOIKZQYRVXTH-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001592137583 1404005545 /nfs/dbraw/zinc/00/55/45/1404005545.db2.gz LBUOIKZQYRVXTH-MRXNPFEDSA-N -1 1 334.383 2.451 20 0 EEADMM Cc1cccc2c1CCN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001592243707 1404013081 /nfs/dbraw/zinc/01/30/81/1404013081.db2.gz BVICIJXSORKMSM-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1cccc2c1CCN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001592243707 1404013088 /nfs/dbraw/zinc/01/30/88/1404013088.db2.gz BVICIJXSORKMSM-UHFFFAOYSA-N -1 1 325.397 2.435 20 0 EEADMM Cc1nsc(NC(=O)c2coc(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC001592482036 1404701230 /nfs/dbraw/zinc/70/12/30/1404701230.db2.gz OWFQKSAMWSUCLX-UHFFFAOYSA-N -1 1 333.377 2.169 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC001592499232 1404703975 /nfs/dbraw/zinc/70/39/75/1404703975.db2.gz JZFVKPDXQLCDGU-CYBMUJFWSA-N -1 1 345.403 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](OC2CCC2)CC1 ZINC001592499232 1404703979 /nfs/dbraw/zinc/70/39/79/1404703979.db2.gz JZFVKPDXQLCDGU-CYBMUJFWSA-N -1 1 345.403 2.332 20 0 EEADMM CCOc1cccc([C@H](C)NCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001605702881 1404750495 /nfs/dbraw/zinc/75/04/95/1404750495.db2.gz XARYGLYDNVVADL-ZDUSSCGKSA-N -1 1 334.416 2.059 20 0 EEADMM Cc1nsc(NCc2cn3c(cccc3C)n2)c1-c1nn[n-]n1 ZINC001606162413 1404770847 /nfs/dbraw/zinc/77/08/47/1404770847.db2.gz QDAZDFSDHVFAPU-UHFFFAOYSA-N -1 1 326.389 2.200 20 0 EEADMM Cc1nsc(NCc2nc3cccc(C)c3n2C)c1-c1nn[n-]n1 ZINC001606162883 1404771523 /nfs/dbraw/zinc/77/15/23/1404771523.db2.gz PSSSNMMQNKBHKG-UHFFFAOYSA-N -1 1 340.416 2.439 20 0 EEADMM CN(Cc1n[nH]c(=O)o1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001606175389 1404773157 /nfs/dbraw/zinc/77/31/57/1404773157.db2.gz FUEHJOZFPWSBRP-SNVBAGLBSA-N -1 1 332.143 2.340 20 0 EEADMM Fc1cccc([C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC001606327337 1404794198 /nfs/dbraw/zinc/79/41/98/1404794198.db2.gz KOITVJBPCJIWLP-AWEZNQCLSA-N -1 1 329.335 2.172 20 0 EEADMM Fc1cccc([C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC001606327337 1404794202 /nfs/dbraw/zinc/79/42/02/1404794202.db2.gz KOITVJBPCJIWLP-AWEZNQCLSA-N -1 1 329.335 2.172 20 0 EEADMM CC(C)=CC(=O)N[C@@H](C)[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001755949759 1408022923 /nfs/dbraw/zinc/02/29/23/1408022923.db2.gz OBFVGDVWVKKKPU-RYUDHWBXSA-N -1 1 348.447 2.203 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]CCc1cccnc1C ZINC001772040684 1410020706 /nfs/dbraw/zinc/02/07/06/1410020706.db2.gz IAZIKUJGQKTOGX-UHFFFAOYSA-N -1 1 342.367 2.198 20 0 EEADMM CN(C)c1nc(Nc2cccnc2OC(F)F)c(N=O)c(=O)[n-]1 ZINC001210622878 758074407 /nfs/dbraw/zinc/07/44/07/758074407.db2.gz YHVMHOYFDFKHDE-UHFFFAOYSA-N -1 1 326.263 2.386 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2(C)CCCC2)[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001087161899 759832361 /nfs/dbraw/zinc/83/23/61/759832361.db2.gz FGFHIIYTKJTGCT-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](CO)c1ccc(F)cc1 ZINC000840524790 782691016 /nfs/dbraw/zinc/69/10/16/782691016.db2.gz VUGFIVPFHMRWIY-ZDUSSCGKSA-N -1 1 347.390 2.259 20 0 EEADMM C[C@@H]1C[C@@H]1CC(=O)NC[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001060715593 769084535 /nfs/dbraw/zinc/08/45/35/769084535.db2.gz CQOJMFGHBKIKRR-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM CC1(C)C(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1(C)C ZINC000979665868 770810314 /nfs/dbraw/zinc/81/03/14/770810314.db2.gz UGOOEYHXIICSAN-HAQNSBGRSA-N -1 1 345.443 2.094 20 0 EEADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)cs1 ZINC000979665752 770810558 /nfs/dbraw/zinc/81/05/58/770810558.db2.gz RMTFGTAPHYYMKU-AULYBMBSSA-N -1 1 345.424 2.096 20 0 EEADMM CC(=O)N1CCC([C@@H]2N(C(=O)c3ncccc3[O-])CC23CCC3)CC1 ZINC000994735436 773470813 /nfs/dbraw/zinc/47/08/13/773470813.db2.gz SGJFCDDIHIMZQY-KRWDZBQOSA-N -1 1 343.427 2.040 20 0 EEADMM CCC[C@](C)(NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000780559777 783114388 /nfs/dbraw/zinc/11/43/88/783114388.db2.gz LTDHAJZIAWKBAL-INIZCTEOSA-N -1 1 349.366 2.053 20 0 EEADMM CCC[C@](C)(NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C(=O)[O-] ZINC000780559777 783114396 /nfs/dbraw/zinc/11/43/96/783114396.db2.gz LTDHAJZIAWKBAL-INIZCTEOSA-N -1 1 349.366 2.053 20 0 EEADMM COc1cccc(NNC(=O)c2ccc(Br)cc2[O-])n1 ZINC000180732009 775024313 /nfs/dbraw/zinc/02/43/13/775024313.db2.gz DWJZSTLDQAHFHU-UHFFFAOYSA-N -1 1 338.161 2.315 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000939016227 775200460 /nfs/dbraw/zinc/20/04/60/775200460.db2.gz NTFWDDCCFXXPFQ-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000940135961 778140995 /nfs/dbraw/zinc/14/09/95/778140995.db2.gz NZHDKWCVBBRPGV-GFCCVEGCSA-N -1 1 345.424 2.110 20 0 EEADMM Cc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c1C ZINC000940139024 778165765 /nfs/dbraw/zinc/16/57/65/778165765.db2.gz MXZNSXLOOKLJAJ-CQSZACIVSA-N -1 1 339.395 2.049 20 0 EEADMM COCc1nc(N2Cc3ccc(OC)cc3C3(CC3)C2)cc(=O)[n-]1 ZINC000893918588 780306891 /nfs/dbraw/zinc/30/68/91/780306891.db2.gz QNOKNBRONCJJNO-UHFFFAOYSA-N -1 1 327.384 2.389 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(OC)cc2CO)c1 ZINC001211742366 780623760 /nfs/dbraw/zinc/62/37/60/780623760.db2.gz ZZIYFCIGITZGGN-UHFFFAOYSA-N -1 1 337.397 2.430 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)Cc3ccc(C)c(Cl)c3)nc2n1 ZINC000906058094 783674576 /nfs/dbraw/zinc/67/45/76/783674576.db2.gz ROIVEYOMSWLSGV-UHFFFAOYSA-N -1 1 345.790 2.123 20 0 EEADMM C[C@H]1CN(CCCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@H](C)O1 ZINC000816838536 784278488 /nfs/dbraw/zinc/27/84/88/784278488.db2.gz DZDNCSWTSVXDBS-RYUDHWBXSA-N -1 1 349.456 2.346 20 0 EEADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000817069113 784479161 /nfs/dbraw/zinc/47/91/61/784479161.db2.gz DWPYYZGDDFWCIV-JTQLQIEISA-N -1 1 342.189 2.321 20 0 EEADMM O=C(c1ccc(-c2ccccc2)[nH]1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907472802 784640911 /nfs/dbraw/zinc/64/09/11/784640911.db2.gz CWTPDSKNTYOIGK-CQSZACIVSA-N -1 1 340.412 2.125 20 0 EEADMM Cc1c2cc(F)ccc2oc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907474294 784643646 /nfs/dbraw/zinc/64/36/46/784643646.db2.gz GDWIDJVJPGWYHD-NSHDSACASA-N -1 1 347.375 2.324 20 0 EEADMM C[C@H]1CCCN(C(=O)C2CC=CC2)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945746793 784760391 /nfs/dbraw/zinc/76/03/91/784760391.db2.gz IABWCTKJASPBBI-ZFWWWQNUSA-N -1 1 343.427 2.110 20 0 EEADMM CCOC(=O)[C@@H](F)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000817673094 784888610 /nfs/dbraw/zinc/88/86/10/784888610.db2.gz AKDABOCESFBJNR-LBPRGKRZSA-N -1 1 349.280 2.384 20 0 EEADMM COC(OC)[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000907943136 784975718 /nfs/dbraw/zinc/97/57/18/784975718.db2.gz GKMCHJFFULZMAX-CQSZACIVSA-N -1 1 343.383 2.150 20 0 EEADMM O=C(CC1CCC1)N1CC[C@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945911284 785083459 /nfs/dbraw/zinc/08/34/59/785083459.db2.gz DBKONBFOPVOBIB-CABCVRRESA-N -1 1 343.427 2.040 20 0 EEADMM CC1(CC(=O)N2CC[C@@H]3CN(C(=O)c4ncccc4[O-])CC[C@@H]32)CC1 ZINC000945927927 785136499 /nfs/dbraw/zinc/13/64/99/785136499.db2.gz HRCNOPWDFSKSQU-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc3cncn3c1)CCS2 ZINC000908174609 785138794 /nfs/dbraw/zinc/13/87/94/785138794.db2.gz WRZZQUSCKXSAHU-UIORMTCPSA-N -1 1 345.424 2.193 20 0 EEADMM 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CCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000048097927 462861028 /nfs/dbraw/zinc/86/10/28/462861028.db2.gz SFEHTLIDZBYUST-UHFFFAOYSA-N -1 1 336.413 2.022 20 0 EEADMM Cc1cccc2c(CCNC(=O)c3c[n-]c4c(cnn4C)c3=O)c[nH]c21 ZINC000132761237 462877671 /nfs/dbraw/zinc/87/76/71/462877671.db2.gz NFGMFMSAVBWYNH-UHFFFAOYSA-N -1 1 349.394 2.436 20 0 EEADMM C[C@H](CC(=O)Nc1nc(SCCO)n[nH]1)Cc1cccc(F)c1 ZINC000155395243 462886359 /nfs/dbraw/zinc/88/63/59/462886359.db2.gz UQFJFILKLOYPOJ-JTQLQIEISA-N -1 1 338.408 2.236 20 0 EEADMM C[C@H](CNC(=O)c1c[n-]c2c(cnn2C)c1=O)Cc1cccs1 ZINC000119286867 462886575 /nfs/dbraw/zinc/88/65/75/462886575.db2.gz LOWQZDXAHOQDMX-JTQLQIEISA-N -1 1 330.413 2.344 20 0 EEADMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000066935634 462949007 /nfs/dbraw/zinc/94/90/07/462949007.db2.gz QXGOKIQWXSNAAR-UHFFFAOYSA-N -1 1 347.362 2.416 20 0 EEADMM Cn1c(CCNC(=O)c2ccccc2OC(F)F)n[n-]c1=S ZINC000067051964 462960153 /nfs/dbraw/zinc/96/01/53/462960153.db2.gz RNDNLMKKQUIVSQ-UHFFFAOYSA-N -1 1 328.344 2.052 20 0 EEADMM CCn1c(CCNC(=O)[C@@H]2CCOc3ccccc32)n[n-]c1=S ZINC000067075196 462963873 /nfs/dbraw/zinc/96/38/73/462963873.db2.gz HBKBRNRTMHUGOG-GFCCVEGCSA-N -1 1 332.429 2.186 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3Cl)co1 ZINC000156262408 462999596 /nfs/dbraw/zinc/99/95/96/462999596.db2.gz VSYFTGWPOUEXRP-UHFFFAOYSA-N -1 1 340.788 2.044 20 0 EEADMM Cc1cc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000067607776 463025287 /nfs/dbraw/zinc/02/52/87/463025287.db2.gz YRSXTXVWSPJSDW-UHFFFAOYSA-N -1 1 343.383 2.493 20 0 EEADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C)nc2C)c(=O)[n-]1 ZINC000121574217 463160666 /nfs/dbraw/zinc/16/06/66/463160666.db2.gz CLVDQZSSEWQZMQ-UHFFFAOYSA-N -1 1 332.429 2.383 20 0 EEADMM CCC[C@H]1C[C@@H]1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000079453651 463217851 /nfs/dbraw/zinc/21/78/51/463217851.db2.gz DQLWTHOYUBTUEK-JQWIXIFHSA-N -1 1 326.418 2.441 20 0 EEADMM C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000080280801 463304295 /nfs/dbraw/zinc/30/42/95/463304295.db2.gz CAKFQYKTBCSGLG-OAQYLSRUSA-N -1 1 345.392 2.181 20 0 EEADMM O=C(CCc1nc2ccccc2s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000160373146 463332125 /nfs/dbraw/zinc/33/21/25/463332125.db2.gz KJGWPSLOWGLXPJ-NSHDSACASA-N -1 1 342.428 2.148 20 0 EEADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000055589253 463333907 /nfs/dbraw/zinc/33/39/07/463333907.db2.gz ZTFGJLPNWOOYEH-UHFFFAOYSA-N -1 1 329.385 2.080 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC000055619112 463335089 /nfs/dbraw/zinc/33/50/89/463335089.db2.gz CWGYRZIPXWUUBX-UHFFFAOYSA-N -1 1 339.344 2.422 20 0 EEADMM CC(C)Oc1ccc(C=CC(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1 ZINC000124291000 463405871 /nfs/dbraw/zinc/40/58/71/463405871.db2.gz MIEGFIDRXNBOSX-RSPDNQDQSA-N -1 1 329.404 2.262 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCOCC(F)(F)F ZINC000081536086 463454791 /nfs/dbraw/zinc/45/47/91/463454791.db2.gz LCNOJWUIDPONDP-UHFFFAOYSA-N -1 1 349.353 2.075 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCc3ccccc32)co1 ZINC000162621826 463525506 /nfs/dbraw/zinc/52/55/06/463525506.db2.gz UCTSEIXWUDUPMJ-CYBMUJFWSA-N -1 1 348.424 2.038 20 0 EEADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000125310854 463529433 /nfs/dbraw/zinc/52/94/33/463529433.db2.gz RBLJGVACICHZHM-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)o1 ZINC000126806800 463664250 /nfs/dbraw/zinc/66/42/50/463664250.db2.gz JZOANSWSMJKGPG-UHFFFAOYSA-N -1 1 339.373 2.248 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000579530126 468370514 /nfs/dbraw/zinc/37/05/14/468370514.db2.gz VOZDBHFDKBAOIZ-AAEUAGOBSA-N -1 1 339.392 2.319 20 0 EEADMM Cc1cnc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000492328170 468381086 /nfs/dbraw/zinc/38/10/86/468381086.db2.gz KOJXEQXCOHFZEJ-GFCCVEGCSA-N -1 1 335.404 2.225 20 0 EEADMM C[C@@H](C(=O)Nc1nc(SCCO)n[nH]1)c1cn(C)c2ccccc12 ZINC000185759601 463875279 /nfs/dbraw/zinc/87/52/79/463875279.db2.gz MGMNXJXSKPUZGB-SNVBAGLBSA-N -1 1 345.428 2.123 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2C[C@H]3CCCC[C@@H]3C2)c(=O)[n-]1 ZINC000178335501 463883283 /nfs/dbraw/zinc/88/32/83/463883283.db2.gz BUSDEHHXIYDAOY-CHWSQXEVSA-N -1 1 335.473 2.381 20 0 EEADMM CN1Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2C1 ZINC000283935849 464048955 /nfs/dbraw/zinc/04/89/55/464048955.db2.gz FJDFLKWHVQGRSR-UHFFFAOYSA-N -1 1 346.408 2.204 20 0 EEADMM CCOc1cc(C(=O)NCCCC(=O)N(C)C)cc(Cl)c1[O-] ZINC000186691245 464050897 /nfs/dbraw/zinc/05/08/97/464050897.db2.gz GDPWPPSRGGYYDY-UHFFFAOYSA-N -1 1 328.796 2.043 20 0 EEADMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1sccc1Br ZINC000269733535 464075499 /nfs/dbraw/zinc/07/54/99/464075499.db2.gz CVXKCCGAGYPRKU-JGVFFNPUSA-N -1 1 342.280 2.196 20 0 EEADMM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000269824262 464105799 /nfs/dbraw/zinc/10/57/99/464105799.db2.gz XCYMUTDQPIBLJC-SECBINFHSA-N -1 1 341.326 2.256 20 0 EEADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cncc([O-])c1)C1CC1 ZINC000279487634 464110217 /nfs/dbraw/zinc/11/02/17/464110217.db2.gz RIOKXLSCVASONM-QGZVFWFLSA-N -1 1 335.404 2.210 20 0 EEADMM CCCOc1ccc(C=CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000492383571 468400853 /nfs/dbraw/zinc/40/08/53/468400853.db2.gz LIANNAXMZSBRKD-VSGCLNPGSA-N -1 1 341.415 2.408 20 0 EEADMM CC1(C)CCC([N-]S(=O)(=O)c2cccc(F)c2F)(C(N)=O)CC1 ZINC000270303714 464249535 /nfs/dbraw/zinc/24/95/35/464249535.db2.gz ZPJNHLWQGYTPEC-UHFFFAOYSA-N -1 1 346.399 2.067 20 0 EEADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)no1 ZINC000173397710 464253841 /nfs/dbraw/zinc/25/38/41/464253841.db2.gz SVUQFFOHQNRWFA-UHFFFAOYSA-N -1 1 339.270 2.014 20 0 EEADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C(=O)NC(C)(C)C ZINC000180433951 464310559 /nfs/dbraw/zinc/31/05/59/464310559.db2.gz RPSUSZFZSSCHAX-MRVPVSSYSA-N -1 1 332.322 2.444 20 0 EEADMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180455384 464314545 /nfs/dbraw/zinc/31/45/45/464314545.db2.gz NHBREMIWUOESPM-BDAKNGLRSA-N -1 1 332.322 2.444 20 0 EEADMM COCCC1(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272219487 464523693 /nfs/dbraw/zinc/52/36/93/464523693.db2.gz NHLVLKRYTAPVPM-UHFFFAOYSA-N -1 1 339.244 2.483 20 0 EEADMM Cn1[n-]cc2c(=O)c(C(=O)Nc3cccc(-c4ncc[nH]4)c3)cnc1-2 ZINC000181933262 464538929 /nfs/dbraw/zinc/53/89/29/464538929.db2.gz YNMWPDSRLHQOEP-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM CC(C)c1nc(C2CCN(C(=O)C(=O)c3ccc([O-])cc3)CC2)no1 ZINC000294768131 464598731 /nfs/dbraw/zinc/59/87/31/464598731.db2.gz RICIPTKFJAHYFL-UHFFFAOYSA-N -1 1 343.383 2.488 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CC2CC2)c2ccccc2)o1 ZINC000175772069 464622023 /nfs/dbraw/zinc/62/20/23/464622023.db2.gz WXDRCPJLJJKQPA-UHFFFAOYSA-N -1 1 334.397 2.245 20 0 EEADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1(C(N)=O)CCCC1 ZINC000182395779 464644545 /nfs/dbraw/zinc/64/45/45/464644545.db2.gz KMQOXFKVTDWJHH-UHFFFAOYSA-N -1 1 330.306 2.281 20 0 EEADMM CCOC(=O)[C@](C)(CNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000190623534 464690573 /nfs/dbraw/zinc/69/05/73/464690573.db2.gz VNMRUAWXJCMXTE-GOSISDBHSA-N -1 1 328.368 2.038 20 0 EEADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1 ZINC000176680440 464824009 /nfs/dbraw/zinc/82/40/09/464824009.db2.gz MTPUYMFJERWYQL-UHFFFAOYSA-N -1 1 347.375 2.125 20 0 EEADMM CCC[C@@H](NC(=O)c1cn(CCOC)c2ccccc12)c1nn[n-]n1 ZINC000176735664 464837322 /nfs/dbraw/zinc/83/73/22/464837322.db2.gz AJMGLUDCRWGGTC-CQSZACIVSA-N -1 1 342.403 2.072 20 0 EEADMM CC1(CO)CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000183629328 464887777 /nfs/dbraw/zinc/88/77/77/464887777.db2.gz CBKYHQDAHJOWNK-UHFFFAOYSA-N -1 1 328.206 2.389 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(OC(C)C)nc1 ZINC000267019060 464905596 /nfs/dbraw/zinc/90/55/96/464905596.db2.gz OZSPLXAFUSJJPF-UHFFFAOYSA-N -1 1 348.428 2.325 20 0 EEADMM CC[C@H](C)[C@@H](CNC(=O)CCc1c(C)nc(SC)[n-]c1=O)OC ZINC000295721284 464940906 /nfs/dbraw/zinc/94/09/06/464940906.db2.gz LRMISTAQCBQBSQ-GXFFZTMASA-N -1 1 341.477 2.322 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1C)c1ccsc1 ZINC000184251282 464955960 /nfs/dbraw/zinc/95/59/60/464955960.db2.gz CEOBUDNQHFZPNY-CQSZACIVSA-N -1 1 339.438 2.390 20 0 EEADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)o1 ZINC000177342252 464991024 /nfs/dbraw/zinc/99/10/24/464991024.db2.gz YAXQAUYHUIHWKQ-SNVBAGLBSA-N -1 1 343.426 2.427 20 0 EEADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000358841719 465353088 /nfs/dbraw/zinc/35/30/88/465353088.db2.gz RDULHAOPWMVZRT-UHFFFAOYSA-N -1 1 343.412 2.295 20 0 EEADMM CCn1nc(C(C)C)cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000351850683 465399629 /nfs/dbraw/zinc/39/96/29/465399629.db2.gz HPXOSQIQRCOGHM-UHFFFAOYSA-N -1 1 333.392 2.135 20 0 EEADMM CCC[C@H](C)N1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2[O-])CC1=O ZINC000337577271 465444812 /nfs/dbraw/zinc/44/48/12/465444812.db2.gz JSWUBLCWNZJLME-WCQYABFASA-N -1 1 348.399 2.154 20 0 EEADMM CS(=O)(=O)[N-]c1ccc(Oc2ncnc3cccc(F)c32)cn1 ZINC000339971396 465648578 /nfs/dbraw/zinc/64/85/78/465648578.db2.gz TVHZBOROSOPAPT-UHFFFAOYSA-N -1 1 334.332 2.328 20 0 EEADMM C[C@H](CN(C)C(=O)c1ccc(Cl)c2ncccc12)c1nn[n-]n1 ZINC000554795406 468444339 /nfs/dbraw/zinc/44/43/39/468444339.db2.gz IXNTXCGCSHNAQK-SECBINFHSA-N -1 1 330.779 2.277 20 0 EEADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H]1C1CCCCC1 ZINC000337949693 465703466 /nfs/dbraw/zinc/70/34/66/465703466.db2.gz TUXHEALMCQXPFO-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM CCNC(=O)C1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000580025262 468451175 /nfs/dbraw/zinc/45/11/75/468451175.db2.gz IIKZWUGMIVWMKU-UHFFFAOYSA-N -1 1 336.413 2.018 20 0 EEADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2ccc(C)nc2)n[n-]1 ZINC000548723047 468460625 /nfs/dbraw/zinc/46/06/25/468460625.db2.gz NQCGQOTZDQGTTN-ZDUSSCGKSA-N -1 1 345.403 2.202 20 0 EEADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2ccc(C)nc2)[n-]1 ZINC000548723047 468460630 /nfs/dbraw/zinc/46/06/30/468460630.db2.gz NQCGQOTZDQGTTN-ZDUSSCGKSA-N -1 1 345.403 2.202 20 0 EEADMM 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/nfs/dbraw/zinc/51/82/00/485518200.db2.gz KAXKLVXGPVFWPE-HRCADAONSA-N -1 1 339.443 2.414 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000680870489 486072141 /nfs/dbraw/zinc/07/21/41/486072141.db2.gz XOALNOJEMWNQEV-APWZRJJASA-N -1 1 329.396 2.240 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000680870495 486072209 /nfs/dbraw/zinc/07/22/09/486072209.db2.gz XOALNOJEMWNQEV-VQIMIIECSA-N -1 1 329.396 2.240 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000680906198 486082964 /nfs/dbraw/zinc/08/29/64/486082964.db2.gz OOIFBIIVYSRVTE-YGRLFVJLSA-N -1 1 347.383 2.209 20 0 EEADMM O=C(Nc1cccc(CN2CCOCC2)n1)c1ccc([O-])c(F)c1 ZINC000681066845 486128803 /nfs/dbraw/zinc/12/88/03/486128803.db2.gz SJNGJVJVGJESIC-UHFFFAOYSA-N -1 1 331.347 2.011 20 0 EEADMM Cc1[nH]nc(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1[O-] ZINC000676707786 486286827 /nfs/dbraw/zinc/28/68/27/486286827.db2.gz JQCZIMSCTYZAPO-UHFFFAOYSA-N -1 1 337.339 2.323 20 0 EEADMM O=C(c1cc2ccccc2cc1[O-])N1CC(=O)N(CC(F)(F)F)C1 ZINC000683121461 486618484 /nfs/dbraw/zinc/61/84/84/486618484.db2.gz NPMOSQOKKGNMSR-UHFFFAOYSA-N -1 1 338.285 2.350 20 0 EEADMM Cc1nc(CN2CCN(C(=O)c3ccc([O-])cc3F)CC2)cs1 ZINC000181085072 534355247 /nfs/dbraw/zinc/35/52/47/534355247.db2.gz KBCKSQFZEZXTAG-UHFFFAOYSA-N -1 1 335.404 2.254 20 0 EEADMM Cc1onc(-c2ccccc2)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183409898 534594449 /nfs/dbraw/zinc/59/44/49/534594449.db2.gz MHPCSMGXKGDMNX-SNVBAGLBSA-N -1 1 326.360 2.039 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](c2ccccc2F)C1 ZINC000738259710 578006519 /nfs/dbraw/zinc/00/65/19/578006519.db2.gz UWJLSDAYYFKXCY-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](c2ccccc2F)C1 ZINC000738259710 578006520 /nfs/dbraw/zinc/00/65/20/578006520.db2.gz UWJLSDAYYFKXCY-LBPRGKRZSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(Nc1cccc(-n2cccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738179286 578002621 /nfs/dbraw/zinc/00/26/21/578002621.db2.gz PTOBFYJKMOTSLH-UHFFFAOYSA-N -1 1 331.339 2.305 20 0 EEADMM O=C(Nc1cccc(-n2cccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738179286 578002622 /nfs/dbraw/zinc/00/26/22/578002622.db2.gz PTOBFYJKMOTSLH-UHFFFAOYSA-N -1 1 331.339 2.305 20 0 EEADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cs1 ZINC000743047036 576012849 /nfs/dbraw/zinc/01/28/49/576012849.db2.gz FDUQSTWGKAZSDI-UHFFFAOYSA-N -1 1 340.426 2.402 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(c1cccc(-c2nnn[n-]2)n1)CC3 ZINC000737656564 576359833 /nfs/dbraw/zinc/35/98/33/576359833.db2.gz OMWBNYGKFZFRNM-UHFFFAOYSA-N -1 1 335.346 2.445 20 0 EEADMM Fc1ccc2[nH]c3c(c2c1)CN(c1cccc(-c2nn[n-]n2)n1)CC3 ZINC000737656564 576359835 /nfs/dbraw/zinc/35/98/35/576359835.db2.gz OMWBNYGKFZFRNM-UHFFFAOYSA-N -1 1 335.346 2.445 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-] ZINC000738016137 576680575 /nfs/dbraw/zinc/68/05/75/576680575.db2.gz NYHVJYBMOJKBSK-ZJUUUORDSA-N -1 1 328.796 2.328 20 0 EEADMM Cc1cc(C)c(N2C[C@@H](C(=O)[N-]OC3CCOCC3)CC2=O)c(C)c1 ZINC000772720110 577292102 /nfs/dbraw/zinc/29/21/02/577292102.db2.gz ZHUODDGCIPVAPH-HNNXBMFYSA-N -1 1 346.427 2.192 20 0 EEADMM C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773854152 577368880 /nfs/dbraw/zinc/36/88/80/577368880.db2.gz PJTMVDVGYPORST-JTQLQIEISA-N -1 1 346.387 2.354 20 0 EEADMM O=C([N-]CCCOC(=O)c1cc(=O)[nH]c2ccccc21)C(F)(F)F ZINC000774885098 577422034 /nfs/dbraw/zinc/42/20/34/577422034.db2.gz STJWRKGMSHYGGN-UHFFFAOYSA-N -1 1 342.273 2.166 20 0 EEADMM CC(=CC(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(F)cc1 ZINC000776565031 577462482 /nfs/dbraw/zinc/46/24/82/577462482.db2.gz QTIDOOVWJJDFKN-AORWBKJGSA-N -1 1 333.392 2.059 20 0 EEADMM CCCCCCOc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765386668 577500104 /nfs/dbraw/zinc/50/01/04/577500104.db2.gz PGLCPCOBJIQXRP-UHFFFAOYSA-N -1 1 333.388 2.425 20 0 EEADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000765486149 577501767 /nfs/dbraw/zinc/50/17/67/577501767.db2.gz FOLYFUNWXBVCON-ZETCQYMHSA-N -1 1 330.171 2.262 20 0 EEADMM CC(C)COC(=O)N1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000767934972 577547524 /nfs/dbraw/zinc/54/75/24/577547524.db2.gz KRTDXBJAHSCPLT-UHFFFAOYSA-N -1 1 338.379 2.472 20 0 EEADMM O=C(/C=C\c1ccc(Cl)nc1)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000758708372 577629846 /nfs/dbraw/zinc/62/98/46/577629846.db2.gz KSLNFPJJOLULNJ-CLFYSBASSA-N -1 1 344.754 2.248 20 0 EEADMM CCC(=O)CCCOC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000759478898 577643733 /nfs/dbraw/zinc/64/37/33/577643733.db2.gz UTSQMRNKOSZUTG-UHFFFAOYSA-N -1 1 345.417 2.273 20 0 EEADMM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCC3)[N-]OCC(F)F ZINC000760460134 577663256 /nfs/dbraw/zinc/66/32/56/577663256.db2.gz ZLNXNYJMAUHDTR-UHFFFAOYSA-N -1 1 343.355 2.131 20 0 EEADMM O=S(=O)([N-]Cc1ccccc1CO)c1ccc(Cl)nc1Cl ZINC000751247293 577749779 /nfs/dbraw/zinc/74/97/79/577749779.db2.gz DMPGAMAHLHVZPL-UHFFFAOYSA-N -1 1 347.223 2.359 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCCc2ccc(C)cc2)co1 ZINC000751468038 577753533 /nfs/dbraw/zinc/75/35/33/577753533.db2.gz BJWVJSLACGOIHL-UHFFFAOYSA-N -1 1 337.397 2.286 20 0 EEADMM CC(C)C[C@@H](C)OCCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000756499744 577845134 /nfs/dbraw/zinc/84/51/34/577845134.db2.gz URRCPIVCSSUIMC-CQSZACIVSA-N -1 1 335.400 2.328 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCCOC2CCCCC2)co1 ZINC000756522154 577845760 /nfs/dbraw/zinc/84/57/60/577845760.db2.gz IOSXQOXJYVJDEL-UHFFFAOYSA-N -1 1 345.417 2.084 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C(=O)NC3CC3)CCC2)c1 ZINC000744961868 577905972 /nfs/dbraw/zinc/90/59/72/577905972.db2.gz RTZICCIPPCNUCA-UHFFFAOYSA-N -1 1 345.395 2.129 20 0 EEADMM CCOC(=O)CC1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747355750 577942959 /nfs/dbraw/zinc/94/29/59/577942959.db2.gz ZEWWLTUSXBWWJB-UHFFFAOYSA-N -1 1 349.431 2.419 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747725991 577949024 /nfs/dbraw/zinc/94/90/24/577949024.db2.gz FKRGRXVPSQDXSK-AWEZNQCLSA-N -1 1 331.368 2.075 20 0 EEADMM O=C([N-]O[C@H]1CCCCO1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000749616900 577979087 /nfs/dbraw/zinc/97/90/87/577979087.db2.gz ACESIDABYCSLJF-ZDUSSCGKSA-N -1 1 337.376 2.488 20 0 EEADMM Cc1ccccc1[C@@H]1CC(=O)N(CN(C[C@H](C)C(=O)[O-])C2CC2)C1 ZINC000738760199 578025874 /nfs/dbraw/zinc/02/58/74/578025874.db2.gz FIRQSIQDNZATIW-LSDHHAIUSA-N -1 1 330.428 2.454 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000739740460 578066328 /nfs/dbraw/zinc/06/63/28/578066328.db2.gz XGXMDPNGQMNVCZ-OAHLLOKOSA-N -1 1 347.415 2.242 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000739740460 578066329 /nfs/dbraw/zinc/06/63/29/578066329.db2.gz XGXMDPNGQMNVCZ-OAHLLOKOSA-N -1 1 347.415 2.242 20 0 EEADMM O=C([O-])Cn1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n1 ZINC000739919210 578073311 /nfs/dbraw/zinc/07/33/11/578073311.db2.gz IZZYCOWACXIVJQ-UHFFFAOYSA-N -1 1 345.746 2.264 20 0 EEADMM Cc1ccc2nc([C@H]3CCCN(C(=O)CSCC(=O)[O-])C3)[nH]c2c1 ZINC000740158856 578083340 /nfs/dbraw/zinc/08/33/40/578083340.db2.gz KCGPZYPSMGYYKB-LBPRGKRZSA-N -1 1 347.440 2.395 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[Si](C)(C)C)o1 ZINC000740954832 578109705 /nfs/dbraw/zinc/10/97/05/578109705.db2.gz MNOQQUZVUDCDLN-UHFFFAOYSA-N -1 1 333.482 2.391 20 0 EEADMM CCc1cc2c(COC(=O)c3ncccn3)cc(=O)oc2cc1[O-] ZINC000741036453 578112085 /nfs/dbraw/zinc/11/20/85/578112085.db2.gz NFTURIAGOYBJOD-UHFFFAOYSA-N -1 1 326.308 2.208 20 0 EEADMM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735984755 578175913 /nfs/dbraw/zinc/17/59/13/578175913.db2.gz CMKYJRNOUKCPEF-NSHDSACASA-N -1 1 338.371 2.424 20 0 EEADMM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735984755 578175914 /nfs/dbraw/zinc/17/59/14/578175914.db2.gz CMKYJRNOUKCPEF-NSHDSACASA-N -1 1 338.371 2.424 20 0 EEADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000736135572 578182474 /nfs/dbraw/zinc/18/24/74/578182474.db2.gz BLUPXWBDLWSDKW-JTQLQIEISA-N -1 1 335.371 2.320 20 0 EEADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000736135572 578182475 /nfs/dbraw/zinc/18/24/75/578182475.db2.gz BLUPXWBDLWSDKW-JTQLQIEISA-N -1 1 335.371 2.320 20 0 EEADMM CC(C)(NCC(=O)N[C@@H](c1cccs1)c1ccccc1)C(=O)[O-] ZINC000736339447 578197262 /nfs/dbraw/zinc/19/72/62/578197262.db2.gz PWGIBWPKDNRSBV-OAHLLOKOSA-N -1 1 332.425 2.407 20 0 EEADMM CCCCOc1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000736463844 578206161 /nfs/dbraw/zinc/20/61/61/578206161.db2.gz QQOAWTJNIFXYRN-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCCCOc1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000736463844 578206162 /nfs/dbraw/zinc/20/61/62/578206162.db2.gz QQOAWTJNIFXYRN-UHFFFAOYSA-N -1 1 325.376 2.448 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736505335 578209217 /nfs/dbraw/zinc/20/92/17/578209217.db2.gz ZQTUKDZKYYUQMD-UHFFFAOYSA-N -1 1 348.370 2.274 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736505335 578209218 /nfs/dbraw/zinc/20/92/18/578209218.db2.gz ZQTUKDZKYYUQMD-UHFFFAOYSA-N -1 1 348.370 2.274 20 0 EEADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736715880 578219890 /nfs/dbraw/zinc/21/98/90/578219890.db2.gz BXFRBIWJYRAZPE-LBPRGKRZSA-N -1 1 348.424 2.225 20 0 EEADMM CC[C@](C)(NCC(=O)N[C@@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000736861205 578227204 /nfs/dbraw/zinc/22/72/04/578227204.db2.gz IGSWUQYUWDVFDK-PBHICJAKSA-N -1 1 347.440 2.192 20 0 EEADMM CCc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)s1 ZINC000737265540 578246964 /nfs/dbraw/zinc/24/69/64/578246964.db2.gz SENRRZLJXIPHMF-CQSZACIVSA-N -1 1 336.457 2.113 20 0 EEADMM Cc1cccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1C ZINC000737400155 578255163 /nfs/dbraw/zinc/25/51/63/578255163.db2.gz QWHKZVGSBYBMCB-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1C ZINC000737400155 578255164 /nfs/dbraw/zinc/25/51/64/578255164.db2.gz QWHKZVGSBYBMCB-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@H]1C ZINC000737548920 578263499 /nfs/dbraw/zinc/26/34/99/578263499.db2.gz QOLFLDBOIGKDMQ-ZYHUDNBSSA-N -1 1 340.387 2.477 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@H]1C ZINC000737548920 578263500 /nfs/dbraw/zinc/26/35/00/578263500.db2.gz QOLFLDBOIGKDMQ-ZYHUDNBSSA-N -1 1 340.387 2.477 20 0 EEADMM NC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000737759516 578269188 /nfs/dbraw/zinc/26/91/88/578269188.db2.gz DKSQRRVCIWWXDI-UHFFFAOYSA-N -1 1 345.366 2.126 20 0 EEADMM NC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000737759516 578269189 /nfs/dbraw/zinc/26/91/89/578269189.db2.gz DKSQRRVCIWWXDI-UHFFFAOYSA-N -1 1 345.366 2.126 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1-c1nn[nH]n1 ZINC000822122859 607255790 /nfs/dbraw/zinc/25/57/90/607255790.db2.gz RIGFTQSFWTYSEX-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM CO[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821678371 599090142 /nfs/dbraw/zinc/09/01/42/599090142.db2.gz MYAQENFZZGHCDZ-NSHDSACASA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821678371 599090146 /nfs/dbraw/zinc/09/01/46/599090146.db2.gz MYAQENFZZGHCDZ-NSHDSACASA-N -1 1 331.767 2.110 20 0 EEADMM O[C@@H](CN(c1cccc(-c2nnn[n-]2)n1)C1CC1)c1ccc(F)cc1 ZINC000823673353 607329112 /nfs/dbraw/zinc/32/91/12/607329112.db2.gz LFNCANWZNJZCRT-HNNXBMFYSA-N -1 1 340.362 2.103 20 0 EEADMM O[C@@H](CN(c1cccc(-c2nn[n-]n2)n1)C1CC1)c1ccc(F)cc1 ZINC000823673353 607329113 /nfs/dbraw/zinc/32/91/13/607329113.db2.gz LFNCANWZNJZCRT-HNNXBMFYSA-N -1 1 340.362 2.103 20 0 EEADMM CC[C@H](C)[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)C(=O)[O-] ZINC000820465298 598187647 /nfs/dbraw/zinc/18/76/47/598187647.db2.gz AFUNZNMEXOYMHZ-ZANVPECISA-N -1 1 337.401 2.431 20 0 EEADMM C[C@H](CC(=O)[O-])NCc1csc(CNC(=O)c2ccccc2)n1 ZINC000820089271 598216305 /nfs/dbraw/zinc/21/63/05/598216305.db2.gz NLMBYAHJURRKNO-LLVKDONJSA-N -1 1 333.413 2.026 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@@H](C(F)(F)F)O1 ZINC000820776739 599687946 /nfs/dbraw/zinc/68/79/46/599687946.db2.gz NCBCVPUNLZEPSW-SVRRBLITSA-N -1 1 348.716 2.071 20 0 EEADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@@H](C(F)(F)F)O1 ZINC000820776739 599687947 /nfs/dbraw/zinc/68/79/47/599687947.db2.gz NCBCVPUNLZEPSW-SVRRBLITSA-N -1 1 348.716 2.071 20 0 EEADMM O=C1C[C@@H](c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CN1 ZINC000823520896 607391350 /nfs/dbraw/zinc/39/13/50/607391350.db2.gz OVPNMOUPOWOBSW-LLVKDONJSA-N -1 1 340.412 2.144 20 0 EEADMM CC(C)Oc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000827055173 601128897 /nfs/dbraw/zinc/12/88/97/601128897.db2.gz XUOGLXXWMJABFF-AWEZNQCLSA-N -1 1 349.431 2.487 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 ZINC000827368508 601134707 /nfs/dbraw/zinc/13/47/07/601134707.db2.gz DJEZDLKQQYXXCN-SECBINFHSA-N -1 1 345.321 2.117 20 0 EEADMM COc1ccccc1[C@H](C)N(C)C(=O)CN[C@](C)(C(=O)[O-])C1CC1 ZINC000832589579 601175992 /nfs/dbraw/zinc/17/59/92/601175992.db2.gz RJMBJXBOFWIHIZ-SGTLLEGYSA-N -1 1 334.416 2.058 20 0 EEADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000826054832 601206108 /nfs/dbraw/zinc/20/61/08/601206108.db2.gz QZSYKSJGQDXYBR-IAQYHMDHSA-N -1 1 343.408 2.308 20 0 EEADMM Cc1ccc(C)c(NC(=S)N2CCN([C@H](C)CC(=O)[O-])CC2)c1 ZINC000832926313 601338518 /nfs/dbraw/zinc/33/85/18/601338518.db2.gz MNRDIJYSACFUAM-CQSZACIVSA-N -1 1 335.473 2.481 20 0 EEADMM O=C([O-])c1ccnc(NS(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000833335124 601402966 /nfs/dbraw/zinc/40/29/66/601402966.db2.gz NQJUNGSYDAGLBD-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC000828440068 601521250 /nfs/dbraw/zinc/52/12/50/601521250.db2.gz KCFIWTOCBNOHNL-SKDRFNHKSA-N -1 1 330.306 2.296 20 0 EEADMM C[C@H](C(=O)Nc1nc2ccccc2s1)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828420268 601529518 /nfs/dbraw/zinc/52/95/18/601529518.db2.gz BZIKTPIVNGEYCQ-GMTAPVOTSA-N -1 1 333.413 2.276 20 0 EEADMM CO[C@@]1(C)C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000831527107 601539286 /nfs/dbraw/zinc/53/92/86/601539286.db2.gz SCRMUNHNOXWBNO-KDOFPFPSSA-N -1 1 334.416 2.459 20 0 EEADMM Cc1ccc2c(=O)c(C(=O)NCC3(C(=O)[O-])CCCC3)c[n-]c2[nH+]1 ZINC000832961587 601758247 /nfs/dbraw/zinc/75/82/47/601758247.db2.gz GVTPGSOBDPIWSE-UHFFFAOYSA-N -1 1 329.356 2.019 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000830585254 601819252 /nfs/dbraw/zinc/81/92/52/601819252.db2.gz VBHHFKPMUFVLIU-KRWDZBQOSA-N -1 1 332.444 2.263 20 0 EEADMM COc1ccccc1[C@@H](C)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826218645 607530151 /nfs/dbraw/zinc/53/01/51/607530151.db2.gz HVSWIUKGNXUWTO-JNDILOIQSA-N -1 1 343.412 2.280 20 0 EEADMM COc1ccccc1[C@@H](C)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826218645 607530154 /nfs/dbraw/zinc/53/01/54/607530154.db2.gz HVSWIUKGNXUWTO-JNDILOIQSA-N -1 1 343.412 2.280 20 0 EEADMM Cc1cc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826267528 607536277 /nfs/dbraw/zinc/53/62/77/607536277.db2.gz JRAJFIXWALNZTJ-UHFFFAOYSA-N -1 1 349.441 2.055 20 0 EEADMM Cc1cc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826267528 607536279 /nfs/dbraw/zinc/53/62/79/607536279.db2.gz JRAJFIXWALNZTJ-UHFFFAOYSA-N -1 1 349.441 2.055 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Cl)c2F)CC1 ZINC000827379619 602024955 /nfs/dbraw/zinc/02/49/55/602024955.db2.gz ISHWLSNOMJPAAQ-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(Cl)n1 ZINC000832413422 602106997 /nfs/dbraw/zinc/10/69/97/602106997.db2.gz WMAKLPKZUBUCER-UHFFFAOYSA-N -1 1 346.748 2.144 20 0 EEADMM COc1ccccc1[C@@H](CNC(=O)[C@H](C)CC(=O)[O-])N1CCCCC1 ZINC000832595948 602109031 /nfs/dbraw/zinc/10/90/31/602109031.db2.gz NILMXNGBDQKUKZ-GDBMZVCRSA-N -1 1 348.443 2.449 20 0 EEADMM COCc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000826164445 607545636 /nfs/dbraw/zinc/54/56/36/607545636.db2.gz AJBOGKOTPRVJKB-UHFFFAOYSA-N -1 1 347.378 2.376 20 0 EEADMM COc1cc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000832010131 602122265 /nfs/dbraw/zinc/12/22/65/602122265.db2.gz AHZKXALNVXERIA-UHFFFAOYSA-N -1 1 333.268 2.065 20 0 EEADMM CC(C)(C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824085539 607586515 /nfs/dbraw/zinc/58/65/15/607586515.db2.gz FVJUMGPVZNWTHU-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM CC(C)(C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824085539 607586516 /nfs/dbraw/zinc/58/65/16/607586516.db2.gz FVJUMGPVZNWTHU-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824640581 607609635 /nfs/dbraw/zinc/60/96/35/607609635.db2.gz LNAVWOGRHIAOJZ-SNVBAGLBSA-N -1 1 347.375 2.045 20 0 EEADMM CC(C)(C)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824087284 607638799 /nfs/dbraw/zinc/63/87/99/607638799.db2.gz SHPZPADTPYXFMD-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM O=C([O-])N1CC(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000833278484 604420725 /nfs/dbraw/zinc/42/07/25/604420725.db2.gz QKNBOUYHZJWZMH-UHFFFAOYSA-N -1 1 340.305 2.343 20 0 EEADMM COc1ccc(-c2[nH]ncc2C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000832123847 604911060 /nfs/dbraw/zinc/91/10/60/604911060.db2.gz AATRNVWTRHHTFT-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM O=C([O-])C1(NC(=O)CNC2(c3cccc(F)c3)CC2)CCCCC1 ZINC000833765056 605143144 /nfs/dbraw/zinc/14/31/44/605143144.db2.gz VEOVJMZHNZEEAM-UHFFFAOYSA-N -1 1 334.391 2.308 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(Cc2ccccc2)CCC1 ZINC000833625742 605162381 /nfs/dbraw/zinc/16/23/81/605162381.db2.gz XSGGQHDRXZAONF-INIZCTEOSA-N -1 1 344.455 2.407 20 0 EEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(C)(C)C(=O)[O-] ZINC000833625405 605173323 /nfs/dbraw/zinc/17/33/23/605173323.db2.gz WPOGWTSXRWYGJT-LSDHHAIUSA-N -1 1 347.459 2.402 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C)n1C(C)C ZINC000833741843 605277636 /nfs/dbraw/zinc/27/76/36/605277636.db2.gz AJAVENOHDDJIRX-CQSZACIVSA-N -1 1 335.448 2.307 20 0 EEADMM CN(C(=O)CN1CCC([C@@H]2CCOC2)CC1)c1ccccc1C(=O)[O-] ZINC000833684616 605402613 /nfs/dbraw/zinc/40/26/13/605402613.db2.gz KWNPBUJEPPKPDE-OAHLLOKOSA-N -1 1 346.427 2.096 20 0 EEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820643546 606104045 /nfs/dbraw/zinc/10/40/45/606104045.db2.gz XAKKIANJURBKDS-ZFWWWQNUSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820643546 606104047 /nfs/dbraw/zinc/10/40/47/606104047.db2.gz XAKKIANJURBKDS-ZFWWWQNUSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820518448 606194932 /nfs/dbraw/zinc/19/49/32/606194932.db2.gz DUYFETYHBYQKIM-LLVKDONJSA-N -1 1 339.355 2.116 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccccc2)no1 ZINC000823294838 606195395 /nfs/dbraw/zinc/19/53/95/606195395.db2.gz UAIOCVHNWZYERA-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821368689 606399113 /nfs/dbraw/zinc/39/91/13/606399113.db2.gz UVQKTKRKSIWZDF-UONOGXRCSA-N -1 1 345.403 2.402 20 0 EEADMM CCO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821368689 606399114 /nfs/dbraw/zinc/39/91/14/606399114.db2.gz UVQKTKRKSIWZDF-UONOGXRCSA-N -1 1 345.403 2.402 20 0 EEADMM Clc1ccc(NCCCNc2ccccn2)nc1-c1nnn[n-]1 ZINC000822578406 606455747 /nfs/dbraw/zinc/45/57/47/606455747.db2.gz IQXWHQKDEKQNTB-UHFFFAOYSA-N -1 1 330.783 2.224 20 0 EEADMM Clc1ccc(NCCCNc2ccccn2)nc1-c1nn[n-]n1 ZINC000822578406 606455749 /nfs/dbraw/zinc/45/57/49/606455749.db2.gz IQXWHQKDEKQNTB-UHFFFAOYSA-N -1 1 330.783 2.224 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821319559 606471002 /nfs/dbraw/zinc/47/10/02/606471002.db2.gz DPKKTEUNTGFKOL-QMMMGPOBSA-N -1 1 327.797 2.349 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821319559 606471004 /nfs/dbraw/zinc/47/10/04/606471004.db2.gz DPKKTEUNTGFKOL-QMMMGPOBSA-N -1 1 327.797 2.349 20 0 EEADMM COC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821669513 606500630 /nfs/dbraw/zinc/50/06/30/606500630.db2.gz OXLLYJFQEGOUKO-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821669513 606500631 /nfs/dbraw/zinc/50/06/31/606500631.db2.gz OXLLYJFQEGOUKO-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821139337 606534496 /nfs/dbraw/zinc/53/44/96/606534496.db2.gz UJJVUARWCHVOJO-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM CCCOc1ncccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821139337 606534498 /nfs/dbraw/zinc/53/44/98/606534498.db2.gz UJJVUARWCHVOJO-UHFFFAOYSA-N -1 1 344.400 2.042 20 0 EEADMM O=C(Cc1c[nH]c2ccccc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074951 606649618 /nfs/dbraw/zinc/64/96/18/606649618.db2.gz ZTXPVKXBRSSIEP-UHFFFAOYSA-N -1 1 334.339 2.029 20 0 EEADMM O=C(Cc1c[nH]c2ccccc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074951 606649619 /nfs/dbraw/zinc/64/96/19/606649619.db2.gz ZTXPVKXBRSSIEP-UHFFFAOYSA-N -1 1 334.339 2.029 20 0 EEADMM c1ccc2[nH]c([C@@H]3CCCN3c3cccc(-c4nnn[n-]4)n3)nc2c1 ZINC000826514604 607895716 /nfs/dbraw/zinc/89/57/16/607895716.db2.gz XBZCTVUIMFFCLI-AWEZNQCLSA-N -1 1 332.371 2.480 20 0 EEADMM c1ccc2[nH]c([C@@H]3CCCN3c3cccc(-c4nn[n-]n4)n3)nc2c1 ZINC000826514604 607895717 /nfs/dbraw/zinc/89/57/17/607895717.db2.gz XBZCTVUIMFFCLI-AWEZNQCLSA-N -1 1 332.371 2.480 20 0 EEADMM COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826208676 607997917 /nfs/dbraw/zinc/99/79/17/607997917.db2.gz VOPYXMINNZRWHE-UHFFFAOYSA-N -1 1 345.746 2.487 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ncc(-c2ccccc2)o1 ZINC000824658318 608420578 /nfs/dbraw/zinc/42/05/78/608420578.db2.gz VZSBLLSHRDWODG-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ncc(-c2ccccc2)o1 ZINC000824658318 608420581 /nfs/dbraw/zinc/42/05/81/608420581.db2.gz VZSBLLSHRDWODG-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H](CCO)c1ccccc1 ZINC000825826060 608468645 /nfs/dbraw/zinc/46/86/45/608468645.db2.gz UPMUKDLIUSYUGE-GFCCVEGCSA-N -1 1 343.412 2.124 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H](CCO)c1ccccc1 ZINC000825826060 608468647 /nfs/dbraw/zinc/46/86/47/608468647.db2.gz UPMUKDLIUSYUGE-GFCCVEGCSA-N -1 1 343.412 2.124 20 0 EEADMM Clc1cc(CCn2ccnc2-c2nnn[n-]2)cc2c1OCCCO2 ZINC000826350657 608583066 /nfs/dbraw/zinc/58/30/66/608583066.db2.gz GETULOOHEHTGNH-UHFFFAOYSA-N -1 1 346.778 2.121 20 0 EEADMM Clc1cc(CCn2ccnc2-c2nn[n-]n2)cc2c1OCCCO2 ZINC000826350657 608583068 /nfs/dbraw/zinc/58/30/68/608583068.db2.gz GETULOOHEHTGNH-UHFFFAOYSA-N -1 1 346.778 2.121 20 0 EEADMM O=C(N[C@H]1COC[C@H]1C1CC1)c1ccc(Br)c([O-])c1 ZINC000891052540 675992314 /nfs/dbraw/zinc/99/23/14/675992314.db2.gz JBQILILOKAJIRV-JQWIXIFHSA-N -1 1 326.190 2.310 20 0 EEADMM Cc1ccc(CC[N@H+]2CC[C@@H]2CNC(=O)c2ncccc2[O-])cc1 ZINC001038190628 675996180 /nfs/dbraw/zinc/99/61/80/675996180.db2.gz BYYUVSWPYMRHPL-MRXNPFEDSA-N -1 1 325.412 2.142 20 0 EEADMM C[C@H]1CN(C(=O)C2(C)CCC2)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020784042 675494263 /nfs/dbraw/zinc/49/42/63/675494263.db2.gz KYHCATZZAISOFL-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM Cc1ncc(C(=O)[N-]NC(=O)c2cccnc2)c(Cl)c1Cl ZINC000153556990 676335640 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Cc1c(F)cccc1NC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000878856099 1200714936 /nfs/dbraw/zinc/71/49/36/1200714936.db2.gz ABNSGCIDKYFYDD-UHFFFAOYSA-N -1 1 333.285 2.276 20 0 EEADMM C[C@@H](C(=O)Nc1ccccc1)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765284 1201247779 /nfs/dbraw/zinc/24/77/79/1201247779.db2.gz MIDXDNGRXARGSN-NHYWBVRUSA-N -1 1 343.349 2.157 20 0 EEADMM CC(C)(C)c1nc2cc(NC(=O)Cc3sc(N)nc3[O-])ccc2o1 ZINC000120902063 1201432521 /nfs/dbraw/zinc/43/25/21/1201432521.db2.gz RWGKPEGBMGGTCU-NSHDSACASA-N -1 1 346.412 2.411 20 0 EEADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1sc(N)nc1[O-] ZINC000120932047 1201453474 /nfs/dbraw/zinc/45/34/74/1201453474.db2.gz SFCSUHWMXFASCJ-ZYHUDNBSSA-N -1 1 335.429 2.065 20 0 EEADMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866586280 1201555392 /nfs/dbraw/zinc/55/53/92/1201555392.db2.gz FFRVVUUMMCZINE-IUCAKERBSA-N -1 1 336.255 2.277 20 0 EEADMM CSc1nc(CNC(=O)c2ccccc2OC2CC2)cc(=O)[n-]1 ZINC000880651311 1201550955 /nfs/dbraw/zinc/55/09/55/1201550955.db2.gz LQUNQQYSTGGHDN-UHFFFAOYSA-N -1 1 331.397 2.375 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc2ccccc2c1 ZINC000866606611 1201559507 /nfs/dbraw/zinc/55/95/07/1201559507.db2.gz CLCDDUFGXKWSRV-UHFFFAOYSA-N -1 1 338.454 2.436 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000866813511 1201611043 /nfs/dbraw/zinc/61/10/43/1201611043.db2.gz PXXUDWWZGPQGCV-UHFFFAOYSA-N -1 1 334.438 2.157 20 0 EEADMM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)n1 ZINC000866825495 1201613320 /nfs/dbraw/zinc/61/33/20/1201613320.db2.gz ZHCUMJILSOJIHK-UHFFFAOYSA-N -1 1 332.788 2.130 20 0 EEADMM COC(=O)c1sc(NCc2cc(=O)[n-]c(SC)n2)nc1Cl ZINC000882569917 1201900205 /nfs/dbraw/zinc/90/02/05/1201900205.db2.gz RJRSDIKTNYUZNH-UHFFFAOYSA-N -1 1 346.821 2.413 20 0 EEADMM CCCCC[C@H](C)CC(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000129767659 1201908340 /nfs/dbraw/zinc/90/83/40/1201908340.db2.gz NMKDTNAKYGUDLG-LBPRGKRZSA-N -1 1 334.420 2.418 20 0 EEADMM CCc1nn(C)cc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1F ZINC000882709443 1201925626 /nfs/dbraw/zinc/92/56/26/1201925626.db2.gz PPVKVOMRFZGNGR-UHFFFAOYSA-N -1 1 331.344 2.070 20 0 EEADMM CO[C@@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000800029271 1202200348 /nfs/dbraw/zinc/20/03/48/1202200348.db2.gz QEAKTQZPIOGDSR-MNOVXSKESA-N -1 1 345.417 2.081 20 0 EEADMM CO[C@@H]1CC[C@@H](OC(=O)CCc2c(C)nc(SC)[n-]c2=O)C1 ZINC000800034392 1202200664 /nfs/dbraw/zinc/20/06/64/1202200664.db2.gz TVGQUMVLQBQGFQ-GHMZBOCLSA-N -1 1 326.418 2.256 20 0 EEADMM CC1N=NC(=S)N1c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000134553778 1202318179 /nfs/dbraw/zinc/31/81/79/1202318179.db2.gz ZZUUMXYLGSBVIQ-UHFFFAOYSA-N -1 1 327.369 2.217 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H](C2CCOCC2)C1 ZINC000886162963 1202478331 /nfs/dbraw/zinc/47/83/31/1202478331.db2.gz COHQUFJTJPZULC-AWEZNQCLSA-N -1 1 331.416 2.338 20 0 EEADMM COC(=O)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H](C)C1 ZINC000886373773 1202498184 /nfs/dbraw/zinc/49/81/84/1202498184.db2.gz BIKTYKXKKLNUSF-ZYHUDNBSSA-N -1 1 325.792 2.388 20 0 EEADMM O=C(COC(=O)c1ccc(Cl)cc1O)[N-]C(=O)c1ccccc1 ZINC000005101824 1204254284 /nfs/dbraw/zinc/25/42/84/1204254284.db2.gz BLWIULXCXHJAKG-UHFFFAOYSA-N -1 1 333.727 2.159 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2c(C)cccc2C)co1 ZINC000887960465 1204519792 /nfs/dbraw/zinc/51/97/92/1204519792.db2.gz JVHXPMAQDPDQGV-UHFFFAOYSA-N -1 1 336.413 2.077 20 0 EEADMM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cc([O-])c(F)c(F)c2)n(C)n1 ZINC001275619112 1205447387 /nfs/dbraw/zinc/44/73/87/1205447387.db2.gz OFTRNNHMLUIVHF-GASCZTMLSA-N -1 1 348.397 2.171 20 0 EEADMM CC(C)(CO)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC001411657931 1205475375 /nfs/dbraw/zinc/47/53/75/1205475375.db2.gz BTSOUHYPHYKMGP-UHFFFAOYSA-N -1 1 348.424 2.444 20 0 EEADMM CSc1ncc(C(=O)N[C@H](C)CC(=O)c2ccccc2)c(=O)[n-]1 ZINC001411900433 1205587795 /nfs/dbraw/zinc/58/77/95/1205587795.db2.gz NAPDOGQXFCFXJS-SNVBAGLBSA-N -1 1 331.397 2.295 20 0 EEADMM COc1ccccc1C(=O)NCC(=O)Nc1cc([O-])c(F)cc1F ZINC001412204063 1205667591 /nfs/dbraw/zinc/66/75/91/1205667591.db2.gz WPVQKYJYOLEUKI-UHFFFAOYSA-N -1 1 336.294 2.048 20 0 EEADMM NC(=O)C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC001412633834 1205805582 /nfs/dbraw/zinc/80/55/82/1205805582.db2.gz WBOGDMHBZGXNCO-OAHLLOKOSA-N -1 1 341.411 2.495 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc2c(s1)CCC2 ZINC000927657530 1206287285 /nfs/dbraw/zinc/28/72/85/1206287285.db2.gz GUMDDGSQPMGHNP-UHFFFAOYSA-N -1 1 336.442 2.088 20 0 EEADMM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000929011261 1206437275 /nfs/dbraw/zinc/43/72/75/1206437275.db2.gz PCRRSQPUMSOXNE-UKRRQHHQSA-N -1 1 340.383 2.321 20 0 EEADMM COc1ccccc1N1C[C@H](C(=O)[N-]OC2CCCCC2)CC1=O ZINC000777950684 1206598563 /nfs/dbraw/zinc/59/85/63/1206598563.db2.gz VIZITACJQHTIMZ-CYBMUJFWSA-N -1 1 332.400 2.429 20 0 EEADMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000778005736 1207406590 /nfs/dbraw/zinc/40/65/90/1207406590.db2.gz POGPKBQVGAYWFE-PELKAZGASA-N -1 1 341.260 2.464 20 0 EEADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)[N-]OCC(F)(F)F)C2 ZINC000934901891 1208055290 /nfs/dbraw/zinc/05/52/90/1208055290.db2.gz HDBQWVLNMKKVLP-UTLUCORTSA-N -1 1 338.326 2.385 20 0 EEADMM O=S(=O)([N-]CCC1OCCO1)c1cc(Cl)c(Cl)s1 ZINC001257514932 1208274287 /nfs/dbraw/zinc/27/42/87/1208274287.db2.gz CSRJYEAPJYIHEQ-UHFFFAOYSA-N -1 1 332.230 2.096 20 0 EEADMM O=C(Nc1nc2c(s1)CCCC2=O)c1cnc(C2CC2)[n-]c1=O ZINC001412811798 1208473481 /nfs/dbraw/zinc/47/34/81/1208473481.db2.gz MUGGHJCGOAOHHC-UHFFFAOYSA-N -1 1 330.369 2.287 20 0 EEADMM C[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000947377826 1208550937 /nfs/dbraw/zinc/55/09/37/1208550937.db2.gz OHQOYQBSDMYHJK-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H]1CN(C(=O)C=C2CCC2)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000948370758 1209095615 /nfs/dbraw/zinc/09/56/15/1209095615.db2.gz RZRHGFGXZFXJSQ-HUUCEWRRSA-N -1 1 343.427 2.254 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1CC=CC1 ZINC000948390621 1209109023 /nfs/dbraw/zinc/10/90/23/1209109023.db2.gz VHXVCSYBAHCJML-HIFRSBDPSA-N -1 1 343.427 2.110 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)C1=CCCC1 ZINC000948390541 1209109070 /nfs/dbraw/zinc/10/90/70/1209109070.db2.gz UCFFTBNJOBQVRR-HIFRSBDPSA-N -1 1 343.427 2.254 20 0 EEADMM CCc1nc(C(=O)[N-]c2nonc2C)nn1-c1ccccc1Cl ZINC000076278906 1209155117 /nfs/dbraw/zinc/15/51/17/1209155117.db2.gz JTABLLWBMTZMDA-UHFFFAOYSA-N -1 1 332.751 2.427 20 0 EEADMM Cc1cc(C(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])sc1C ZINC000949539057 1209733142 /nfs/dbraw/zinc/73/31/42/1209733142.db2.gz XDPXVOCLSBJQGQ-LBPRGKRZSA-N -1 1 345.424 2.110 20 0 EEADMM CC1(C)CCC(C(=O)N2CC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000949541112 1209734096 /nfs/dbraw/zinc/73/40/96/1209734096.db2.gz AFESCEABOJYFQG-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM N#Cc1ccc(C(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1[O-] ZINC000191617315 1210303009 /nfs/dbraw/zinc/30/30/09/1210303009.db2.gz RRCIWQLVXDQINY-UHFFFAOYSA-N -1 1 344.758 2.061 20 0 EEADMM CC1(CC(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC000950686465 1210351834 /nfs/dbraw/zinc/35/18/34/1210351834.db2.gz PSBFVANEVDQQBX-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000078803987 1210405366 /nfs/dbraw/zinc/40/53/66/1210405366.db2.gz PUTWDUBAZUHZIO-UHFFFAOYSA-N -1 1 343.383 2.203 20 0 EEADMM O=C(CN1CCC(c2ccccc2)CC1)N[N-]C(=O)c1cccs1 ZINC000078803796 1210405522 /nfs/dbraw/zinc/40/55/22/1210405522.db2.gz IBUVCURCCULPSQ-UHFFFAOYSA-N -1 1 343.452 2.389 20 0 EEADMM O=C(CCCOc1cccnc1)NCCc1n[n-]c(=S)n1C1CC1 ZINC000080173594 1210816106 /nfs/dbraw/zinc/81/61/06/1210816106.db2.gz IIHPQPOEHJYFRA-UHFFFAOYSA-N -1 1 347.444 2.188 20 0 EEADMM CC1(C)CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000951671545 1210956624 /nfs/dbraw/zinc/95/66/24/1210956624.db2.gz LOVCIFKLTVFFRS-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000080581143 1210967498 /nfs/dbraw/zinc/96/74/98/1210967498.db2.gz ISYHFEBKKJUXCT-UHFFFAOYSA-N -1 1 330.344 2.040 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CN1C(=O)C1CCCCCC1 ZINC001012381381 1225253034 /nfs/dbraw/zinc/25/30/34/1225253034.db2.gz MJRMLRNCMHCXCJ-ZFWWWQNUSA-N -1 1 345.443 2.477 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2cccc(-n3ccnc3)c2)c[n-]1 ZINC000080759408 1211037458 /nfs/dbraw/zinc/03/74/58/1211037458.db2.gz PWPWPXKIDNUSBH-UHFFFAOYSA-N -1 1 332.385 2.487 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000952903199 1211614355 /nfs/dbraw/zinc/61/43/55/1211614355.db2.gz VKYXVWFRYNKONC-IBGZPJMESA-N -1 1 345.443 2.288 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000953273765 1211736368 /nfs/dbraw/zinc/73/63/68/1211736368.db2.gz MODSIUDZHMZORF-HUUCEWRRSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC000953575668 1211893087 /nfs/dbraw/zinc/89/30/87/1211893087.db2.gz VNCBFWDAVTYOGK-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)c2ccccc2Cl)C1 ZINC000954125465 1212474365 /nfs/dbraw/zinc/47/43/65/1212474365.db2.gz PDNTWEZLHZWLMK-UHFFFAOYSA-N -1 1 345.786 2.037 20 0 EEADMM CN(C(=O)C1CCCCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000954887017 1212674039 /nfs/dbraw/zinc/67/40/39/1212674039.db2.gz GRWHAMMGRPXEHV-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C[C@H]1C ZINC000955565763 1213168623 /nfs/dbraw/zinc/16/86/23/1213168623.db2.gz MGFMPVVFHBHUBE-TZMCWYRMSA-N -1 1 333.432 2.333 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CCC1CC1 ZINC000955592910 1213191949 /nfs/dbraw/zinc/19/19/49/1213191949.db2.gz JVHDAFYSWFWNJN-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ccsc2)CCN1C(=O)c1ncccc1[O-] ZINC000955656385 1213240316 /nfs/dbraw/zinc/24/03/16/1213240316.db2.gz XEZTZSKMIITZSA-WCQYABFASA-N -1 1 345.424 2.272 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)N1CCC(C)(NC(=O)c2cnn[nH]2)CC1 ZINC000956417633 1213812676 /nfs/dbraw/zinc/81/26/76/1213812676.db2.gz CYBYDSRGVSDDNA-ZDUSSCGKSA-N -1 1 347.463 2.132 20 0 EEADMM COC(=O)c1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)[n-]1 ZINC000796360858 1213883918 /nfs/dbraw/zinc/88/39/18/1213883918.db2.gz GSVYOQOEIPCXBG-UHFFFAOYSA-N -1 1 343.339 2.104 20 0 EEADMM CCc1ccc(NC(=O)COC(=O)c2ccc(C(=O)OC)[n-]2)cc1 ZINC000796365976 1213885932 /nfs/dbraw/zinc/88/59/32/1213885932.db2.gz OMMQBXQVITZAIK-UHFFFAOYSA-N -1 1 330.340 2.159 20 0 EEADMM CNC(=O)c1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000091618217 1213970873 /nfs/dbraw/zinc/97/08/73/1213970873.db2.gz AAFARGGTUYMTTJ-UHFFFAOYSA-N -1 1 334.363 2.348 20 0 EEADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000959127907 1214228619 /nfs/dbraw/zinc/22/86/19/1214228619.db2.gz CGGXDRUGGXWNCD-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1csc(C(=O)N2CC[C@](C)(NC(=O)c3ncccc3[O-])C2)c1 ZINC000956848600 1214524192 /nfs/dbraw/zinc/52/41/92/1214524192.db2.gz CHQZHLLQSKBMQH-KRWDZBQOSA-N -1 1 345.424 2.192 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(C(=O)CCC2CCCC2)C1 ZINC000956848524 1214524353 /nfs/dbraw/zinc/52/43/53/1214524353.db2.gz BXUKBCDZTVKTBA-IBGZPJMESA-N -1 1 345.443 2.478 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)c1ncccc1[O-] ZINC001007192375 1214567091 /nfs/dbraw/zinc/56/70/91/1214567091.db2.gz XTISZQFBQPFPIX-CQSZACIVSA-N -1 1 347.365 2.460 20 0 EEADMM Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000957554124 1215205334 /nfs/dbraw/zinc/20/53/34/1215205334.db2.gz NQVBMVDJFRKPAX-LJQANCHMSA-N -1 1 339.395 2.130 20 0 EEADMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000305178513 1216153588 /nfs/dbraw/zinc/15/35/88/1216153588.db2.gz BHUHMRYZSXPUQY-OAHLLOKOSA-N -1 1 345.342 2.290 20 0 EEADMM C[C@@H]1[C@H](NC(=O)CCCC2CC2)CCN1C(=O)c1ncccc1[O-] ZINC001413034506 1216936447 /nfs/dbraw/zinc/93/64/47/1216936447.db2.gz QCPYQKVGOQUXSX-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC000963560441 1217874291 /nfs/dbraw/zinc/87/42/91/1217874291.db2.gz VGEHRAKLVCIZRJ-CHWSQXEVSA-N -1 1 331.416 2.039 20 0 EEADMM CC1(C)C[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ncccc2[O-])CC1 ZINC000963958886 1218153366 /nfs/dbraw/zinc/15/33/66/1218153366.db2.gz AEFJVMCUFJIKRU-IHRRRGAJSA-N -1 1 345.443 2.238 20 0 EEADMM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])CC2)C=CCC1 ZINC000964848639 1218672350 /nfs/dbraw/zinc/67/23/50/1218672350.db2.gz KRUGUDUGGDQYAC-LIRRHRJNSA-N -1 1 343.427 2.254 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000965106057 1218900012 /nfs/dbraw/zinc/90/00/12/1218900012.db2.gz UUFYVCYFQASNDI-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000965243175 1218983670 /nfs/dbraw/zinc/98/36/70/1218983670.db2.gz FDGCZUVGSRGSGO-HUUCEWRRSA-N -1 1 345.443 2.431 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CC1=CCCCC1 ZINC000966347876 1219694388 /nfs/dbraw/zinc/69/43/88/1219694388.db2.gz KUGUEYLVMDYVIC-ZFWWWQNUSA-N -1 1 343.427 2.254 20 0 EEADMM Cc1cc(C(=O)N[C@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)cs1 ZINC000966353219 1219697476 /nfs/dbraw/zinc/69/74/76/1219697476.db2.gz WTOHYAUFEPUOIB-GWCFXTLKSA-N -1 1 345.424 2.048 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])CC1(C)C ZINC000967003748 1220189782 /nfs/dbraw/zinc/18/97/82/1220189782.db2.gz DTQORAQJPPNIIB-TZMCWYRMSA-N -1 1 345.443 2.190 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)C(C)=C2CCCC2)C1 ZINC000967898408 1220901120 /nfs/dbraw/zinc/90/11/20/1220901120.db2.gz GTILTZNCJBBXGH-UHFFFAOYSA-N -1 1 343.427 2.351 20 0 EEADMM CCN(C(=O)[C@H]1CC[C@H](C)CC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC000968195513 1221119911 /nfs/dbraw/zinc/11/99/11/1221119911.db2.gz PKVLZJJUUFLCNU-HDJSIYSDSA-N -1 1 345.443 2.286 20 0 EEADMM CC[C@H](F)CN1CCCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000968806682 1221585674 /nfs/dbraw/zinc/58/56/74/1221585674.db2.gz MPTPJOLWKQPQEW-STQMWFEESA-N -1 1 326.416 2.146 20 0 EEADMM C[C@H](NC(=O)[C@@H]1CC[C@@H](C)CC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001006530716 1221824431 /nfs/dbraw/zinc/82/44/31/1221824431.db2.gz PSECOQSKTDKEMH-IHRRRGAJSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cccs1 ZINC001007839505 1222451997 /nfs/dbraw/zinc/45/19/97/1222451997.db2.gz PRJXYJPGDKYUFD-CYBMUJFWSA-N -1 1 345.424 2.129 20 0 EEADMM C/C(=C/C(=O)N1C[C@H](CNC(=O)c2ncccc2[O-])C[C@H]1C)C1CC1 ZINC001010031974 1223513770 /nfs/dbraw/zinc/51/37/70/1223513770.db2.gz JDBYSLSKAZWPGX-YMOXITQKSA-N -1 1 343.427 2.110 20 0 EEADMM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2)C1CCCC1 ZINC001014138548 1226252142 /nfs/dbraw/zinc/25/21/42/1226252142.db2.gz PTSOLPTXKABIDP-DNVCBOLYSA-N -1 1 343.427 2.231 20 0 EEADMM O=C1CCC([N-]S(=O)(=O)c2sccc2Br)CC1 ZINC000042524406 1276575987 /nfs/dbraw/zinc/57/59/87/1276575987.db2.gz MZXAKUUAHVVHOK-UHFFFAOYSA-N -1 1 338.248 2.301 20 0 EEADMM C/C=C(\C)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC001014570755 1226789965 /nfs/dbraw/zinc/78/99/65/1226789965.db2.gz QRDXZTOPRXDLRN-SARPWHMGSA-N -1 1 343.427 2.110 20 0 EEADMM CC1(C)CC(C(=O)N2CC=C(CNC(=O)c3ncccc3[O-])CC2)C1 ZINC001017400263 1227389545 /nfs/dbraw/zinc/38/95/45/1227389545.db2.gz LLTGHNHLRYGYSI-UHFFFAOYSA-N -1 1 343.427 2.112 20 0 EEADMM C[C@H](CC(=O)N1CC=C(CNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001017400793 1227390433 /nfs/dbraw/zinc/39/04/33/1227390433.db2.gz WDMHGYHTQIKHCO-CYBMUJFWSA-N -1 1 343.427 2.112 20 0 EEADMM CC(C)(C)C1CCC(C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001019732830 1229296011 /nfs/dbraw/zinc/29/60/11/1229296011.db2.gz SCWYZXMPUPUUSR-RUXDESIVSA-N -1 1 349.479 2.053 20 0 EEADMM O=C(NC[C@H]1CCN1CCOC1CCCCCC1)c1ncccc1[O-] ZINC001038183695 1229679931 /nfs/dbraw/zinc/67/99/31/1229679931.db2.gz LQESEBKGAODQNV-OAHLLOKOSA-N -1 1 347.459 2.331 20 0 EEADMM O=C(NC[C@@H]1CCN1CCc1ccccc1Cl)c1ncccc1[O-] ZINC001038184245 1229680280 /nfs/dbraw/zinc/68/02/80/1229680280.db2.gz RCITWGIVDXQQJQ-AWEZNQCLSA-N -1 1 345.830 2.487 20 0 EEADMM CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC001039193516 1230421086 /nfs/dbraw/zinc/42/10/86/1230421086.db2.gz OPTDLYIDIKQRPS-ZIAGYGMSSA-N -1 1 349.479 2.150 20 0 EEADMM Cc1nsc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001040407680 1231213454 /nfs/dbraw/zinc/21/34/54/1231213454.db2.gz YTHJQRCKYUJQLJ-PWSUYJOCSA-N -1 1 347.444 2.157 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CCOC2CCCCCC2)C1 ZINC001042646370 1232128277 /nfs/dbraw/zinc/12/82/77/1232128277.db2.gz PUPOBEVDVPCDTM-UHFFFAOYSA-N -1 1 347.459 2.283 20 0 EEADMM NC(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001413115703 1234274907 /nfs/dbraw/zinc/27/49/07/1234274907.db2.gz OICXQLCQGMLWEY-GFCCVEGCSA-N -1 1 332.331 2.382 20 0 EEADMM C[C@]1(NC(=O)c2ncccc2[O-])CCN(Cc2ccnc(Cl)c2)C1 ZINC001046262369 1234606616 /nfs/dbraw/zinc/60/66/16/1234606616.db2.gz PTXRQZUDVIZALQ-KRWDZBQOSA-N -1 1 346.818 2.230 20 0 EEADMM CCc1cc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)[nH]n1 ZINC000800913230 1234798316 /nfs/dbraw/zinc/79/83/16/1234798316.db2.gz DCIDCGLDDAZJQZ-UHFFFAOYSA-N -1 1 337.298 2.007 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCO[C@H](C)C3)cc2)cn1 ZINC000800925130 1234819205 /nfs/dbraw/zinc/81/92/05/1234819205.db2.gz DIHHJTAESUOPBY-CQSZACIVSA-N -1 1 347.440 2.416 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900952255 1235037418 /nfs/dbraw/zinc/03/74/18/1235037418.db2.gz PVTFBLQDGLRZBD-LBPRGKRZSA-N -1 1 333.388 2.006 20 0 EEADMM CN1CCN(C[C@H](Nc2cccc(C(=O)[O-])n2)c2ccccc2)CC1 ZINC000900987763 1235083055 /nfs/dbraw/zinc/08/30/55/1235083055.db2.gz ICYYULONOIWYMB-KRWDZBQOSA-N -1 1 340.427 2.180 20 0 EEADMM Cc1nc(COC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])no1 ZINC000801373241 1235469136 /nfs/dbraw/zinc/46/91/36/1235469136.db2.gz DWVDZTLUHNCPRJ-UHFFFAOYSA-N -1 1 334.719 2.280 20 0 EEADMM CCc1nc(COC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])no1 ZINC000801428298 1235563978 /nfs/dbraw/zinc/56/39/78/1235563978.db2.gz VKNYEVLKTFJLAT-UHFFFAOYSA-N -1 1 346.318 2.328 20 0 EEADMM CCCNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801429809 1235567268 /nfs/dbraw/zinc/56/72/68/1235567268.db2.gz NNPDKPHRYNTUKW-LLVKDONJSA-N -1 1 349.362 2.097 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](Nc2cccc(F)n2)C1)c1ncccc1[O-] ZINC001047273207 1235789254 /nfs/dbraw/zinc/78/92/54/1235789254.db2.gz UPTCNMDSONRVAV-NWDGAFQWSA-N -1 1 330.363 2.332 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NC(C)(C)c2c(C)noc2C)c1 ZINC001413352515 1235814952 /nfs/dbraw/zinc/81/49/52/1235814952.db2.gz ZCFDGNLNWUNBQF-UHFFFAOYSA-N -1 1 340.401 2.219 20 0 EEADMM CSc1cc([N-]S(=O)(=O)N=S(C)(C)=O)ccc1Cl ZINC000901676677 1236148286 /nfs/dbraw/zinc/14/82/86/1236148286.db2.gz ZCWLPTJQDORCHL-UHFFFAOYSA-N -1 1 328.868 2.446 20 0 EEADMM CCn1c(C(C)C)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000801867645 1236318982 /nfs/dbraw/zinc/31/89/82/1236318982.db2.gz SGQNSDJQSLDRDI-UHFFFAOYSA-N -1 1 347.385 2.316 20 0 EEADMM Cn1cc(CNC2(c3cccc(F)c3)CCOCC2)c(C(=O)[O-])n1 ZINC000902380328 1237491250 /nfs/dbraw/zinc/49/12/50/1237491250.db2.gz ISRVMGRQTKHUFJ-UHFFFAOYSA-N -1 1 333.363 2.053 20 0 EEADMM Cc1occc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001413454140 1237647398 /nfs/dbraw/zinc/64/73/98/1237647398.db2.gz YNTOEUYHJFSHKF-AWEZNQCLSA-N -1 1 345.399 2.263 20 0 EEADMM CC/C(C)=C/C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056387512 1239296624 /nfs/dbraw/zinc/29/66/24/1239296624.db2.gz SUTSZKSAIRWTGK-WCVFXIOZSA-N -1 1 343.427 2.349 20 0 EEADMM CS(=O)(=O)CS(=O)(=O)[N-]c1cccc(SC(F)(F)F)c1 ZINC001260590679 1239655751 /nfs/dbraw/zinc/65/57/51/1239655751.db2.gz MCDUTOPYLXSHPV-UHFFFAOYSA-N -1 1 349.377 2.042 20 0 EEADMM Cc1nsc(N[C@@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001049892263 1242566717 /nfs/dbraw/zinc/56/67/17/1242566717.db2.gz AMRXNQPGFWFIHG-GFCCVEGCSA-N -1 1 347.444 2.444 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1c1ncnc2ccccc21 ZINC001050206359 1243118983 /nfs/dbraw/zinc/11/89/83/1243118983.db2.gz MHNVJTNPFICWRA-OCCSQVGLSA-N -1 1 349.394 2.128 20 0 EEADMM C[C@H](NC(=O)C1(C)CC=CC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050528123 1243788419 /nfs/dbraw/zinc/78/84/19/1243788419.db2.gz AQRLIOOQTISJFO-UONOGXRCSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050531345 1243793279 /nfs/dbraw/zinc/79/32/79/1243793279.db2.gz SAAMNPBZCCRQHX-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])CC2)cs1 ZINC001052330330 1247026787 /nfs/dbraw/zinc/02/67/87/1247026787.db2.gz RMAMTPALGKFCSV-CYBMUJFWSA-N -1 1 346.456 2.337 20 0 EEADMM Cc1nc(C)c(F)c(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC001068821502 1251740686 /nfs/dbraw/zinc/74/06/86/1251740686.db2.gz CFLGUZUQZGMVTK-CMPLNLGQSA-N -1 1 345.378 2.048 20 0 EEADMM Cc1nc(Cl)cc(N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069064015 1252167660 /nfs/dbraw/zinc/16/76/60/1252167660.db2.gz ZKNOJJLBLJTTRW-ONGXEEELSA-N -1 1 347.806 2.254 20 0 EEADMM CCc1cc(N[C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)nc(C)n1 ZINC001069065179 1252170191 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1338418190 /nfs/dbraw/zinc/41/81/90/1338418190.db2.gz YRUWBFAUPOHJQC-UHFFFAOYSA-N -1 1 325.361 2.436 20 0 EEADMM Cc1cc(COC(=O)c2ccc(-c3nnc[nH]3)cc2)oc1C(=O)[O-] ZINC001610462176 1352226596 /nfs/dbraw/zinc/22/65/96/1352226596.db2.gz VNLOCHFNFUFVAQ-UHFFFAOYSA-N -1 1 327.296 2.428 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])n2C)N2CCCC2)o1 ZINC001610493033 1352232418 /nfs/dbraw/zinc/23/24/18/1352232418.db2.gz JUYPDKAZVUZHKI-OAHLLOKOSA-N -1 1 345.399 2.192 20 0 EEADMM Cc1[nH]ncc1CNC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001610549629 1352243104 /nfs/dbraw/zinc/24/31/04/1352243104.db2.gz STRBZXCSIIRFOR-LLVKDONJSA-N -1 1 349.416 2.228 20 0 EEADMM O=C([O-])CCSc1ncccc1NS(=O)(=O)c1ccccc1 ZINC001610777835 1352272817 /nfs/dbraw/zinc/27/28/17/1352272817.db2.gz LSZNJIHVHPFPPH-UHFFFAOYSA-N -1 1 338.410 2.449 20 0 EEADMM O=C([O-])C[C@@H]1COCCN1CCC(=O)Nc1cccc2ccccc21 ZINC001610764828 1352270788 /nfs/dbraw/zinc/27/07/88/1352270788.db2.gz KDYCTKIXUIEUKU-OAHLLOKOSA-N -1 1 342.395 2.344 20 0 EEADMM O=C([O-])c1cccc2nc(NS(=O)(=O)Cc3ccc(F)cc3)[nH]c21 ZINC001610850135 1352285643 /nfs/dbraw/zinc/28/56/43/1352285643.db2.gz ONDQVVJCVHJRCC-UHFFFAOYSA-N -1 1 349.343 2.342 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1cccc(O)c1 ZINC001611200535 1352296401 /nfs/dbraw/zinc/29/64/01/1352296401.db2.gz OHOCXOHEAGFPGU-ZDUSSCGKSA-N -1 1 347.737 2.217 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC001611374714 1352299677 /nfs/dbraw/zinc/29/96/77/1352299677.db2.gz YPFDICDVNJVOKT-UHFFFAOYSA-N -1 1 348.160 2.316 20 0 EEADMM CC[C@@H](C)CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001430396222 1340211663 /nfs/dbraw/zinc/21/16/63/1340211663.db2.gz SNKUXJGTZNSXOI-IYXRBSQSSA-N -1 1 333.432 2.381 20 0 EEADMM CN(CCN(C)C(=O)c1ncccc1[O-])C(=O)CCC1CCCC1 ZINC001431317724 1340547420 /nfs/dbraw/zinc/54/74/20/1340547420.db2.gz RLCLSRRUKYBWDK-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM COc1ccc(Br)cc1CNC(=O)c1ccc([O-])cn1 ZINC001433794237 1341692099 /nfs/dbraw/zinc/69/20/99/1341692099.db2.gz NJUQSLFQENNPQU-UHFFFAOYSA-N -1 1 337.173 2.488 20 0 EEADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1nccc(N)n1 ZINC001434032044 1341750498 /nfs/dbraw/zinc/75/04/98/1341750498.db2.gz SOGAZOIFJGYHGU-ZETCQYMHSA-N -1 1 326.278 2.274 20 0 EEADMM CSc1nc(CNC(=O)Nc2cccc(NC(C)=O)c2)cc(=O)[n-]1 ZINC001434677372 1341907793 /nfs/dbraw/zinc/90/77/93/1341907793.db2.gz ZTHYEGBYTCXGFM-UHFFFAOYSA-N -1 1 347.400 2.184 20 0 EEADMM CSc1ncc(C(=O)NCc2coc(-c3ccccc3)n2)c(=O)[n-]1 ZINC001565797619 1342562070 /nfs/dbraw/zinc/56/20/70/1342562070.db2.gz HAEOPULRFXABAS-UHFFFAOYSA-N -1 1 342.380 2.489 20 0 EEADMM COc1cccc2c1CC[C@]2(N)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001579291821 1344366146 /nfs/dbraw/zinc/36/61/46/1344366146.db2.gz RCFFMPDLGFIUDS-QGZVFWFLSA-N -1 1 334.322 2.418 20 0 EEADMM Cc1nc2cc(OC(=O)c3ccsc3-c3nnn[n-]3)ccc2n1C ZINC001581532352 1344635907 /nfs/dbraw/zinc/63/59/07/1344635907.db2.gz FOUFURUAJOIARG-UHFFFAOYSA-N -1 1 340.368 2.343 20 0 EEADMM Cc1nc2cc(OC(=O)c3ccsc3-c3nn[n-]n3)ccc2n1C ZINC001581532352 1344635909 /nfs/dbraw/zinc/63/59/09/1344635909.db2.gz FOUFURUAJOIARG-UHFFFAOYSA-N -1 1 340.368 2.343 20 0 EEADMM O=C(NCC(F)(F)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001582359307 1344743886 /nfs/dbraw/zinc/74/38/86/1344743886.db2.gz XGQBIUVKALAGQQ-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCC(F)(F)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)o1 ZINC001582359307 1344743888 /nfs/dbraw/zinc/74/38/88/1344743888.db2.gz XGQBIUVKALAGQQ-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCc1cc2ccccc2[nH]1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582545514 1344760179 /nfs/dbraw/zinc/76/01/79/1344760179.db2.gz NRDMMFBTKIAVAJ-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(NCc1cc2ccccc2[nH]1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582545514 1344760182 /nfs/dbraw/zinc/76/01/82/1344760182.db2.gz NRDMMFBTKIAVAJ-UHFFFAOYSA-N -1 1 334.343 2.065 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC001582583916 1344766240 /nfs/dbraw/zinc/76/62/40/1344766240.db2.gz RRGISQFVWKSVEX-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC001582583916 1344766245 /nfs/dbraw/zinc/76/62/45/1344766245.db2.gz RRGISQFVWKSVEX-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ncccc1Oc1ccccc1 ZINC001582631901 1344771636 /nfs/dbraw/zinc/77/16/36/1344771636.db2.gz QXMNQUOMOIVOHF-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ncccc1Oc1ccccc1 ZINC001582631901 1344771639 /nfs/dbraw/zinc/77/16/39/1344771639.db2.gz QXMNQUOMOIVOHF-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1C[C@H]1c1cccnc1 ZINC001582653543 1344778551 /nfs/dbraw/zinc/77/85/51/1344778551.db2.gz JWQCJQSNHVDOIX-JGVFFNPUSA-N -1 1 347.791 2.114 20 0 EEADMM CC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)oc2C)ccc1F ZINC001588901763 1348943946 /nfs/dbraw/zinc/94/39/46/1348943946.db2.gz OUFJPXIHZGFNLD-UHFFFAOYSA-N -1 1 329.291 2.362 20 0 EEADMM CC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)oc2C)ccc1F ZINC001588901763 1348943950 /nfs/dbraw/zinc/94/39/50/1348943950.db2.gz OUFJPXIHZGFNLD-UHFFFAOYSA-N -1 1 329.291 2.362 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001589193473 1348968658 /nfs/dbraw/zinc/96/86/58/1348968658.db2.gz WDERDWJRHLGQED-RYUDHWBXSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001589193473 1348968662 /nfs/dbraw/zinc/96/86/62/1348968662.db2.gz WDERDWJRHLGQED-RYUDHWBXSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001589361552 1348987341 /nfs/dbraw/zinc/98/73/41/1348987341.db2.gz BECKHQVRTCXSCK-NSHDSACASA-N -1 1 347.448 2.001 20 0 EEADMM CC(C)[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C(C)C ZINC001589511026 1348999291 /nfs/dbraw/zinc/99/92/91/1348999291.db2.gz SDVGBABDMROXGX-RISCZKNCSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589511026 1348999295 /nfs/dbraw/zinc/99/92/95/1348999295.db2.gz SDVGBABDMROXGX-RISCZKNCSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)c1cnc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)s1 ZINC001589773237 1349034853 /nfs/dbraw/zinc/03/48/53/1349034853.db2.gz VVUJSHROXLHUGC-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1cnc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)s1 ZINC001589773237 1349034859 /nfs/dbraw/zinc/03/48/59/1349034859.db2.gz VVUJSHROXLHUGC-UHFFFAOYSA-N -1 1 330.373 2.199 20 0 EEADMM CC(C)c1scnc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589781568 1349040045 /nfs/dbraw/zinc/04/00/45/1349040045.db2.gz ZJPZNCIEBSXHFY-UHFFFAOYSA-N -1 1 334.430 2.438 20 0 EEADMM C[C@@H](CC(F)(F)F)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589799270 1349046636 /nfs/dbraw/zinc/04/66/36/1349046636.db2.gz RYRLIPLCYJBOTL-YFKPBYRVSA-N -1 1 335.236 2.216 20 0 EEADMM C[C@@H](CC(F)(F)F)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589799270 1349046641 /nfs/dbraw/zinc/04/66/41/1349046641.db2.gz RYRLIPLCYJBOTL-YFKPBYRVSA-N -1 1 335.236 2.216 20 0 EEADMM CC(F)(F)C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001589906615 1349059382 /nfs/dbraw/zinc/05/93/82/1349059382.db2.gz RVZVTXSKUBUCPA-UHFFFAOYSA-N -1 1 330.726 2.079 20 0 EEADMM C[C@H](Cn1cc(Br)cc(-c2nn[n-]n2)c1=O)C(C)(C)C ZINC001589905197 1349059699 /nfs/dbraw/zinc/05/96/99/1349059699.db2.gz VPMUVRCGAPDHTG-MRVPVSSYSA-N -1 1 340.225 2.473 20 0 EEADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1cc(F)ccc1N(C)C ZINC001589990200 1349095331 /nfs/dbraw/zinc/09/53/31/1349095331.db2.gz NHXJKNJCJVFQQS-SECBINFHSA-N -1 1 328.355 2.035 20 0 EEADMM C[C@@]1(C(F)(F)F)CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001590072953 1349137670 /nfs/dbraw/zinc/13/76/70/1349137670.db2.gz KCBNNXGYXHPRTD-NSHDSACASA-N -1 1 333.339 2.081 20 0 EEADMM C[C@]1(F)CCCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590141867 1349172020 /nfs/dbraw/zinc/17/20/20/1349172020.db2.gz PSBXCSZCURCGOS-NSHDSACASA-N -1 1 345.791 2.333 20 0 EEADMM C[C@]1(NC(=O)c2csc(-c3nn[n-]n3)c2)CCOc2ccccc21 ZINC001590146314 1349174758 /nfs/dbraw/zinc/17/47/58/1349174758.db2.gz AMMNXQVIRVJKAV-INIZCTEOSA-N -1 1 341.396 2.356 20 0 EEADMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nnn[n-]2)C1 ZINC001590184257 1349185523 /nfs/dbraw/zinc/18/55/23/1349185523.db2.gz FLCWASAMBKJAHD-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(c2cccnc2-c2nn[n-]n2)C1 ZINC001590184257 1349185531 /nfs/dbraw/zinc/18/55/31/1349185531.db2.gz FLCWASAMBKJAHD-NEPJUHHUSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4nnn[n-]4)n3)C2)C1 ZINC001590242236 1349222218 /nfs/dbraw/zinc/22/22/18/1349222218.db2.gz UQUFPLBBUSIONZ-MEDUHNTESA-N -1 1 327.392 2.306 20 0 EEADMM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4nn[n-]n4)n3)C2)C1 ZINC001590242236 1349222221 /nfs/dbraw/zinc/22/22/21/1349222221.db2.gz UQUFPLBBUSIONZ-MEDUHNTESA-N -1 1 327.392 2.306 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590250052 1349226898 /nfs/dbraw/zinc/22/68/98/1349226898.db2.gz NOGBNVKXPPQZEW-ZYHUDNBSSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001590305064 1349253852 /nfs/dbraw/zinc/25/38/52/1349253852.db2.gz WBFQHNYSFRJHGM-NSHDSACASA-N -1 1 338.371 2.192 20 0 EEADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001590305064 1349253856 /nfs/dbraw/zinc/25/38/56/1349253856.db2.gz WBFQHNYSFRJHGM-NSHDSACASA-N -1 1 338.371 2.192 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@H](c2ccsc2)O1 ZINC001590308671 1349255438 /nfs/dbraw/zinc/25/54/38/1349255438.db2.gz IAHGKNKYLIHVRO-BXKDBHETSA-N -1 1 348.457 2.347 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@H](c2ccsc2)O1 ZINC001590308671 1349255443 /nfs/dbraw/zinc/25/54/43/1349255443.db2.gz IAHGKNKYLIHVRO-BXKDBHETSA-N -1 1 348.457 2.347 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590334898 1349271326 /nfs/dbraw/zinc/27/13/26/1349271326.db2.gz DVONWMWNLUMENH-SDBXPKJASA-N -1 1 327.369 2.180 20 0 EEADMM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590334898 1349271330 /nfs/dbraw/zinc/27/13/30/1349271330.db2.gz DVONWMWNLUMENH-SDBXPKJASA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590339605 1349274977 /nfs/dbraw/zinc/27/49/77/1349274977.db2.gz WRCFLBWYRSPIBV-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590339605 1349274980 /nfs/dbraw/zinc/27/49/80/1349274980.db2.gz WRCFLBWYRSPIBV-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM CCC(=O)N(C)c1ccc(NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001590359680 1349283927 /nfs/dbraw/zinc/28/39/27/1349283927.db2.gz GZQLJIPMCRYJFW-UHFFFAOYSA-N -1 1 343.416 2.308 20 0 EEADMM CCC(=O)N(C)c1ccc(NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001590359680 1349283932 /nfs/dbraw/zinc/28/39/32/1349283932.db2.gz GZQLJIPMCRYJFW-UHFFFAOYSA-N -1 1 343.416 2.308 20 0 EEADMM CC[C@@H](C)C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)OC ZINC001590404638 1349306750 /nfs/dbraw/zinc/30/67/50/1349306750.db2.gz OGEJOBUKEXLYAG-RNFRBKRXSA-N -1 1 344.828 2.366 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)CCO1 ZINC001590431647 1349321844 /nfs/dbraw/zinc/32/18/44/1349321844.db2.gz MZIUMXIZUMUTOC-CJNGLKHVSA-N -1 1 330.436 2.388 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)CCO1 ZINC001590431647 1349321854 /nfs/dbraw/zinc/32/18/54/1349321854.db2.gz MZIUMXIZUMUTOC-CJNGLKHVSA-N -1 1 330.436 2.388 20 0 EEADMM CC[C@@H](CNc1ncncc1-c1nn[n-]n1)Oc1ccccc1C ZINC001590446767 1349328576 /nfs/dbraw/zinc/32/85/76/1349328576.db2.gz VFPOHPMYTVVPNM-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](Sc1ccccc1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001590482395 1349351845 /nfs/dbraw/zinc/35/18/45/1349351845.db2.gz IZBWILOQSFUFAH-LLVKDONJSA-N -1 1 343.416 2.408 20 0 EEADMM CCN(C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC001590675423 1349386399 /nfs/dbraw/zinc/38/63/99/1349386399.db2.gz VUDKKNVFZZUVSF-UHFFFAOYSA-N -1 1 340.309 2.295 20 0 EEADMM CC(C)(CNC(=O)c1cccc(Br)c1O)CC(=O)[O-] ZINC001590750317 1349396208 /nfs/dbraw/zinc/39/62/08/1349396208.db2.gz GIURQHXJAPWMHS-UHFFFAOYSA-N -1 1 330.178 2.385 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001590851234 1349405112 /nfs/dbraw/zinc/40/51/12/1349405112.db2.gz UZKAYQLPJUPDCL-GHMZBOCLSA-N -1 1 332.433 2.008 20 0 EEADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001590851234 1349405115 /nfs/dbraw/zinc/40/51/15/1349405115.db2.gz UZKAYQLPJUPDCL-GHMZBOCLSA-N -1 1 332.433 2.008 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001590869567 1349406969 /nfs/dbraw/zinc/40/69/69/1349406969.db2.gz NIVGJEOJZBKGHY-XYPYZODXSA-N -1 1 330.392 2.425 20 0 EEADMM CCn1ccnc1[C@H]1CCCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001590962069 1349424690 /nfs/dbraw/zinc/42/46/90/1349424690.db2.gz OOBOJCFXIUHHSU-GFCCVEGCSA-N -1 1 344.448 2.267 20 0 EEADMM CCn1ccnc1[C@H]1CCCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001590962069 1349424696 /nfs/dbraw/zinc/42/46/96/1349424696.db2.gz OOBOJCFXIUHHSU-GFCCVEGCSA-N -1 1 344.448 2.267 20 0 EEADMM COc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(Cl)n1 ZINC001591615100 1349515264 /nfs/dbraw/zinc/51/52/64/1349515264.db2.gz WZSOYCKPWZBZIT-UHFFFAOYSA-N -1 1 336.764 2.238 20 0 EEADMM COc1ccccc1OCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591652223 1349525488 /nfs/dbraw/zinc/52/54/88/1349525488.db2.gz GYDGDIOZQCNANH-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccccc1OCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591652223 1349525493 /nfs/dbraw/zinc/52/54/93/1349525493.db2.gz GYDGDIOZQCNANH-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM CS[C@@H](C)C(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001591687543 1349528579 /nfs/dbraw/zinc/52/85/79/1349528579.db2.gz FBZIGLNAPORVTC-JTQLQIEISA-N -1 1 343.416 2.051 20 0 EEADMM CS[C@@H](C)C(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001591687543 1349528585 /nfs/dbraw/zinc/52/85/85/1349528585.db2.gz FBZIGLNAPORVTC-JTQLQIEISA-N -1 1 343.416 2.051 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NOC2CCC2)c1-c1nnn[n-]1 ZINC001591718594 1349534383 /nfs/dbraw/zinc/53/43/83/1349534383.db2.gz IQACKRWUFKUHMR-UHFFFAOYSA-N -1 1 346.416 2.075 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NOC2CCC2)c1-c1nn[n-]n1 ZINC001591718594 1349534391 /nfs/dbraw/zinc/53/43/91/1349534391.db2.gz IQACKRWUFKUHMR-UHFFFAOYSA-N -1 1 346.416 2.075 20 0 EEADMM Cc1cc(NC[C@@]2(O)CCCc3ccccc32)cc(-c2nnn[n-]2)n1 ZINC001592042533 1349587331 /nfs/dbraw/zinc/58/73/31/1349587331.db2.gz IRDLYVREDTXKNK-SFHVURJKSA-N -1 1 336.399 2.206 20 0 EEADMM Cc1cc(NC[C@@]2(O)CCCc3ccccc32)cc(-c2nn[n-]n2)n1 ZINC001592042533 1349587335 /nfs/dbraw/zinc/58/73/35/1349587335.db2.gz IRDLYVREDTXKNK-SFHVURJKSA-N -1 1 336.399 2.206 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC001592329705 1349622264 /nfs/dbraw/zinc/62/22/64/1349622264.db2.gz DCKIELQDYKFNOY-UHFFFAOYSA-N -1 1 339.403 2.377 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(C(C)(C)C)oc2C)c1-c1nn[n-]n1 ZINC001592330106 1349622385 /nfs/dbraw/zinc/62/23/85/1349622385.db2.gz LAEYZBDQRNIWIQ-UHFFFAOYSA-N -1 1 329.364 2.349 20 0 EEADMM Cc1nc(-c2nnn[n-]2)n(Cc2nc3cc(Cl)ccc3n2C)c1C ZINC001592341071 1349623072 /nfs/dbraw/zinc/62/30/72/1349623072.db2.gz PUXGNZMQZHSBDQ-UHFFFAOYSA-N -1 1 342.794 2.268 20 0 EEADMM Cc1nc(-c2nn[n-]n2)n(Cc2nc3cc(Cl)ccc3n2C)c1C ZINC001592341071 1349623073 /nfs/dbraw/zinc/62/30/73/1349623073.db2.gz PUXGNZMQZHSBDQ-UHFFFAOYSA-N -1 1 342.794 2.268 20 0 EEADMM Cc1nc(NCCSCc2ccccc2F)cc(-c2nnn[n-]2)n1 ZINC001592391755 1349626962 /nfs/dbraw/zinc/62/69/62/1349626962.db2.gz SYSDFHOJQGLLOY-UHFFFAOYSA-N -1 1 345.407 2.450 20 0 EEADMM Cc1nc(NCCSCc2ccccc2F)cc(-c2nn[n-]n2)n1 ZINC001592391755 1349626964 /nfs/dbraw/zinc/62/69/64/1349626964.db2.gz SYSDFHOJQGLLOY-UHFFFAOYSA-N -1 1 345.407 2.450 20 0 EEADMM Cc1nsc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c1-c1nnn[n-]1 ZINC001592479468 1349635924 /nfs/dbraw/zinc/63/59/24/1349635924.db2.gz OKLDSMNMZACWEG-SNVBAGLBSA-N -1 1 348.432 2.310 20 0 EEADMM Cc1nsc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c1-c1nn[n-]n1 ZINC001592479468 1349635925 /nfs/dbraw/zinc/63/59/25/1349635925.db2.gz OKLDSMNMZACWEG-SNVBAGLBSA-N -1 1 348.432 2.310 20 0 EEADMM Cc1nsc(NC[C@]2(C)COc3ccccc3O2)c1-c1nn[n-]n1 ZINC001592487836 1349636779 /nfs/dbraw/zinc/63/67/79/1349636779.db2.gz FSWQZGFZANTHSL-OAHLLOKOSA-N -1 1 344.400 2.274 20 0 EEADMM Cc1nsc(N[C@H]2CCO[C@H](c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001592487103 1349636859 /nfs/dbraw/zinc/63/68/59/1349636859.db2.gz XHCPMSUUZXZSKM-RYUDHWBXSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001592501507 1349638128 /nfs/dbraw/zinc/63/81/28/1349638128.db2.gz LVPMQHWPHLMMGT-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(-c2ccccc2)cn1 ZINC001592501507 1349638129 /nfs/dbraw/zinc/63/81/29/1349638129.db2.gz LVPMQHWPHLMMGT-UHFFFAOYSA-N -1 1 347.338 2.477 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCc1cccc(F)c1F ZINC001592503794 1349640528 /nfs/dbraw/zinc/64/05/28/1349640528.db2.gz MSMDKAHGJWYPQJ-UHFFFAOYSA-N -1 1 334.282 2.446 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCc1cccc(F)c1F ZINC001592503794 1349640531 /nfs/dbraw/zinc/64/05/31/1349640531.db2.gz MSMDKAHGJWYPQJ-UHFFFAOYSA-N -1 1 334.282 2.446 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001592507590 1349643007 /nfs/dbraw/zinc/64/30/07/1349643007.db2.gz SKRXDPUBWZRGTO-UHFFFAOYSA-N -1 1 332.389 2.278 20 0 EEADMM Cc1oc(C(C)C)cc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001592507590 1349643028 /nfs/dbraw/zinc/64/30/28/1349643028.db2.gz SKRXDPUBWZRGTO-UHFFFAOYSA-N -1 1 332.389 2.278 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC001592622355 1349676667 /nfs/dbraw/zinc/67/66/67/1349676667.db2.gz DQFBVDAVWYYCEE-GXSJLCMTSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC001592622355 1349676671 /nfs/dbraw/zinc/67/66/71/1349676671.db2.gz DQFBVDAVWYYCEE-GXSJLCMTSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cccc2c1CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592622274 1349676825 /nfs/dbraw/zinc/67/68/25/1349676825.db2.gz ZTODLWXTEXPGGX-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM Fc1cccc(C2(CNc3cncc(-c4nnn[n-]4)n3)CCC2)c1 ZINC001592654121 1349698583 /nfs/dbraw/zinc/69/85/83/1349698583.db2.gz CYFZFFRADRIDHW-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1cccc(C2(CNc3cncc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001592654121 1349698590 /nfs/dbraw/zinc/69/85/90/1349698590.db2.gz CYFZFFRADRIDHW-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM O=C(CCCc1ccsc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001592838788 1349718352 /nfs/dbraw/zinc/71/83/52/1349718352.db2.gz COERQJRTVMIEDA-UHFFFAOYSA-N -1 1 343.416 2.490 20 0 EEADMM O=C(CCc1cc(F)ccc1F)OCc1cccnc1-c1nnn[n-]1 ZINC001592849315 1349719978 /nfs/dbraw/zinc/71/99/78/1349719978.db2.gz MZPALNFSSODLFJ-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(CCc1cc(F)ccc1F)OCc1cccnc1-c1nn[n-]n1 ZINC001592849315 1349719982 /nfs/dbraw/zinc/71/99/82/1349719982.db2.gz MZPALNFSSODLFJ-UHFFFAOYSA-N -1 1 345.309 2.216 20 0 EEADMM O=C(Cc1coc2cc(F)ccc12)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592932854 1349728398 /nfs/dbraw/zinc/72/83/98/1349728398.db2.gz JHWKHGRCAVPNTQ-UHFFFAOYSA-N -1 1 338.302 2.328 20 0 EEADMM O=C(Cc1coc2cc(F)ccc12)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592932854 1349728405 /nfs/dbraw/zinc/72/84/05/1349728405.db2.gz JHWKHGRCAVPNTQ-UHFFFAOYSA-N -1 1 338.302 2.328 20 0 EEADMM O=C(NCC[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001593064977 1349736367 /nfs/dbraw/zinc/73/63/67/1349736367.db2.gz ILUJOEKKMAAHKS-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCC[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001593064977 1349736371 /nfs/dbraw/zinc/73/63/71/1349736371.db2.gz ILUJOEKKMAAHKS-VIFPVBQESA-N -1 1 337.334 2.209 20 0 EEADMM O=C(NCc1csc(-c2ccco2)n1)c1ccc(-c2nnn[n-]2)o1 ZINC001593152426 1349742975 /nfs/dbraw/zinc/74/29/75/1349742975.db2.gz NJDJCXZFDZYORP-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(NCc1csc(-c2ccco2)n1)c1ccc(-c2nn[n-]n2)o1 ZINC001593152426 1349742979 /nfs/dbraw/zinc/74/29/79/1349742979.db2.gz NJDJCXZFDZYORP-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(NCc1coc(-c2ccccc2)n1)c1coc(-c2nnn[n-]2)c1 ZINC001593152429 1349743639 /nfs/dbraw/zinc/74/36/39/1349743639.db2.gz NQLJQRQGGRTPOH-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(NCc1coc(-c2ccccc2)n1)c1coc(-c2nn[n-]n2)c1 ZINC001593152429 1349743645 /nfs/dbraw/zinc/74/36/45/1349743645.db2.gz NQLJQRQGGRTPOH-UHFFFAOYSA-N -1 1 336.311 2.045 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC=C(F)C1 ZINC001593263814 1349754823 /nfs/dbraw/zinc/75/48/23/1349754823.db2.gz FQTHIFIJECHMLS-UHFFFAOYSA-N -1 1 329.748 2.068 20 0 EEADMM O=C(OC(C(F)(F)F)C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001593281277 1349761168 /nfs/dbraw/zinc/76/11/68/1349761168.db2.gz HNCKFQYNFABIKC-UHFFFAOYSA-N -1 1 330.144 2.110 20 0 EEADMM O=C(OC(C(F)(F)F)C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001593281277 1349761172 /nfs/dbraw/zinc/76/11/72/1349761172.db2.gz HNCKFQYNFABIKC-UHFFFAOYSA-N -1 1 330.144 2.110 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001593259517 1349754277 /nfs/dbraw/zinc/75/42/77/1349754277.db2.gz BFGIDDDOVDDFBS-ZIAGYGMSSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(Nc1nc2c(s1)CCCCC2)c1coc(-c2nnn[n-]2)c1 ZINC001593269020 1349755674 /nfs/dbraw/zinc/75/56/74/1349755674.db2.gz DRGUCJVMXWZYPW-UHFFFAOYSA-N -1 1 330.373 2.437 20 0 EEADMM O=C(Nc1nc2c(s1)CCCCC2)c1coc(-c2nn[n-]n2)c1 ZINC001593269020 1349755679 /nfs/dbraw/zinc/75/56/79/1349755679.db2.gz DRGUCJVMXWZYPW-UHFFFAOYSA-N -1 1 330.373 2.437 20 0 EEADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1sccc1-c1nn[nH]n1 ZINC001593268449 1349756385 /nfs/dbraw/zinc/75/63/85/1349756385.db2.gz TZXFZPIJAIINFA-UHFFFAOYSA-N -1 1 344.404 2.277 20 0 EEADMM O=C(OC[C@]12CCC[C@@H]1OCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283930 1349762009 /nfs/dbraw/zinc/76/20/09/1349762009.db2.gz FQVGVXXKJNHQCV-BLLLJJGKSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@]12CCC[C@@H]1OCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283930 1349762010 /nfs/dbraw/zinc/76/20/10/1349762010.db2.gz FQVGVXXKJNHQCV-BLLLJJGKSA-N -1 1 332.335 2.122 20 0 EEADMM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593283599 1349762325 /nfs/dbraw/zinc/76/23/25/1349762325.db2.gz AOBUMYQNPUOYMK-OUJBWJOFSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593283599 1349762330 /nfs/dbraw/zinc/76/23/30/1349762330.db2.gz AOBUMYQNPUOYMK-OUJBWJOFSA-N -1 1 332.335 2.120 20 0 EEADMM O=C(OCCOc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593290655 1349767286 /nfs/dbraw/zinc/76/72/86/1349767286.db2.gz LRJPEHXWPCLHAV-UHFFFAOYSA-N -1 1 328.303 2.242 20 0 EEADMM O=C(OCCOc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593290655 1349767287 /nfs/dbraw/zinc/76/72/87/1349767287.db2.gz LRJPEHXWPCLHAV-UHFFFAOYSA-N -1 1 328.303 2.242 20 0 EEADMM O=C(c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)N1CCCC1 ZINC001593347274 1349786768 /nfs/dbraw/zinc/78/67/68/1349786768.db2.gz ZUPPPPSQSICODH-UHFFFAOYSA-N -1 1 338.371 2.308 20 0 EEADMM O=C(c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)N1CCCC1 ZINC001593347274 1349786772 /nfs/dbraw/zinc/78/67/72/1349786772.db2.gz ZUPPPPSQSICODH-UHFFFAOYSA-N -1 1 338.371 2.308 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593347579 1349787340 /nfs/dbraw/zinc/78/73/40/1349787340.db2.gz AELSKRGZYYCBCJ-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593347579 1349787343 /nfs/dbraw/zinc/78/73/43/1349787343.db2.gz AELSKRGZYYCBCJ-GFCCVEGCSA-N -1 1 338.346 2.031 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001593367526 1349791836 /nfs/dbraw/zinc/79/18/36/1349791836.db2.gz LOSFHYWQQKLFRY-MCIONIFRSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC001593367526 1349791838 /nfs/dbraw/zinc/79/18/38/1349791838.db2.gz LOSFHYWQQKLFRY-MCIONIFRSA-N -1 1 345.403 2.006 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@@H]1C(F)(F)F ZINC001593370151 1349791861 /nfs/dbraw/zinc/79/18/61/1349791861.db2.gz JBEQKISIVMPDJT-SECBINFHSA-N -1 1 335.336 2.006 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001593369282 1349791913 /nfs/dbraw/zinc/79/19/13/1349791913.db2.gz HGXLTAGKDKELSQ-YUELXQCFSA-N -1 1 335.367 2.335 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001593369282 1349791916 /nfs/dbraw/zinc/79/19/16/1349791916.db2.gz HGXLTAGKDKELSQ-YUELXQCFSA-N -1 1 335.367 2.335 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC001593387330 1349795886 /nfs/dbraw/zinc/79/58/86/1349795886.db2.gz FAZYJJOJGMICCF-CQSZACIVSA-N -1 1 349.350 2.065 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC001593387330 1349795888 /nfs/dbraw/zinc/79/58/88/1349795888.db2.gz FAZYJJOJGMICCF-CQSZACIVSA-N -1 1 349.350 2.065 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1c(Cl)ccc2cccnc21 ZINC001593493509 1349818257 /nfs/dbraw/zinc/81/82/57/1349818257.db2.gz JAHHLDBGQDFXRY-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM OC1(CCNc2ccccc2Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001593511090 1349826465 /nfs/dbraw/zinc/82/64/65/1349826465.db2.gz RXUHKNYYAWSJPT-UHFFFAOYSA-N -1 1 338.371 2.381 20 0 EEADMM c1cc(NCc2csc(-c3nn[n-]n3)c2)n([C@@H]2CCCOC2)n1 ZINC001593560395 1349849582 /nfs/dbraw/zinc/84/95/82/1349849582.db2.gz AGGVQOLEKLUVMY-LLVKDONJSA-N -1 1 331.405 2.088 20 0 EEADMM c1nc(-c2ccccc2)sc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001593567567 1349853582 /nfs/dbraw/zinc/85/35/82/1349853582.db2.gz QBTGQAGROJOREW-UHFFFAOYSA-N -1 1 337.368 2.359 20 0 EEADMM c1ccc2c(c1)CCN2C1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001593581010 1349861685 /nfs/dbraw/zinc/86/16/85/1349861685.db2.gz WRDHESWLVNZBOI-UHFFFAOYSA-N -1 1 347.426 2.293 20 0 EEADMM c1ccc2c(c1)CCN2C1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001593581010 1349861693 /nfs/dbraw/zinc/86/16/93/1349861693.db2.gz WRDHESWLVNZBOI-UHFFFAOYSA-N -1 1 347.426 2.293 20 0 EEADMM c1ccc2c(c1)CC[C@@H](CNc1cc(-c3nnn[n-]3)nc(C3CC3)n1)N2 ZINC001593581067 1349861707 /nfs/dbraw/zinc/86/17/07/1349861707.db2.gz KHKPNZXGJNYGKR-ZDUSSCGKSA-N -1 1 348.414 2.373 20 0 EEADMM c1ccc2c(c1)CC[C@@H](CNc1cc(-c3nn[n-]n3)nc(C3CC3)n1)N2 ZINC001593581067 1349861712 /nfs/dbraw/zinc/86/17/12/1349861712.db2.gz KHKPNZXGJNYGKR-ZDUSSCGKSA-N -1 1 348.414 2.373 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4cc(-c5nnn[n-]5)ncn4)C3)nc2c1 ZINC001593581122 1349861896 /nfs/dbraw/zinc/86/18/96/1349861896.db2.gz AKIDEIASKUTUMB-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM c1ccc2oc([C@@H]3CCCN(c4cc(-c5nn[n-]n5)ncn4)C3)nc2c1 ZINC001593581122 1349861901 /nfs/dbraw/zinc/86/19/01/1349861901.db2.gz AKIDEIASKUTUMB-LLVKDONJSA-N -1 1 348.370 2.182 20 0 EEADMM c1cncc([C@H]2CCCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)c1 ZINC001593587193 1349865764 /nfs/dbraw/zinc/86/57/64/1349865764.db2.gz CVFYOPAEJYHJGU-AWEZNQCLSA-N -1 1 348.414 2.313 20 0 EEADMM c1cncc([C@H]2CCCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)c1 ZINC001593587193 1349865770 /nfs/dbraw/zinc/86/57/70/1349865770.db2.gz CVFYOPAEJYHJGU-AWEZNQCLSA-N -1 1 348.414 2.313 20 0 EEADMM CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598073857 1349935212 /nfs/dbraw/zinc/93/52/12/1349935212.db2.gz XLPRWMKUHZPXGJ-INIZCTEOSA-N -1 1 343.383 2.171 20 0 EEADMM Cc1cc([C@H]2CCCCN2S(=O)(=O)c2ccccc2C(=O)[O-])n[nH]1 ZINC001600182765 1349987369 /nfs/dbraw/zinc/98/73/69/1349987369.db2.gz FLZSFSOALVBQEW-CQSZACIVSA-N -1 1 349.412 2.332 20 0 EEADMM Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccc(C(=O)[O-])cc3)n2)o1 ZINC001600320383 1350019763 /nfs/dbraw/zinc/01/97/63/1350019763.db2.gz YUNVGXGCSMSWHX-UHFFFAOYSA-N -1 1 326.312 2.253 20 0 EEADMM Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC001600412366 1350044468 /nfs/dbraw/zinc/04/44/68/1350044468.db2.gz GEGSGUKGVXQMKP-OAHLLOKOSA-N -1 1 328.368 2.291 20 0 EEADMM Cc1ccc(CNCc2c[nH]c(C(=O)[O-])c2)c(O[C@H]2CCOC2)c1 ZINC001600419283 1350046921 /nfs/dbraw/zinc/04/69/21/1350046921.db2.gz SWWNWMMHJAOGRL-HNNXBMFYSA-N -1 1 330.384 2.479 20 0 EEADMM Cc1[nH]c(CN[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC001600434803 1350050219 /nfs/dbraw/zinc/05/02/19/1350050219.db2.gz LYPRDHVDSGAGJZ-MRXNPFEDSA-N -1 1 327.384 2.225 20 0 EEADMM Cc1cccc(OC[C@H](O)CN(Cc2cc(C(=O)[O-])no2)C(C)C)c1 ZINC001600543868 1350078492 /nfs/dbraw/zinc/07/84/92/1350078492.db2.gz ISMVZIWZNGVKOU-CQSZACIVSA-N -1 1 348.399 2.332 20 0 EEADMM Cc1cccc2c(CC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c[nH]c21 ZINC001600551846 1350080380 /nfs/dbraw/zinc/08/03/80/1350080380.db2.gz AIKLKSUYMAUQKZ-AWEZNQCLSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1[nH]c(C[NH2+][C@@H](C)c2nnc(-c3cc(C)ccn3)[n-]2)cc1C(=O)[O-] ZINC001600599554 1350094279 /nfs/dbraw/zinc/09/42/79/1350094279.db2.gz UPQIAQZOQPFVBP-NSHDSACASA-N -1 1 340.387 2.361 20 0 EEADMM Cc1ccnc(-c2nnc([C@@H](C)[NH2+]Cc3ccc(C(=O)[O-])[nH]3)[n-]2)c1 ZINC001600599576 1350094495 /nfs/dbraw/zinc/09/44/95/1350094495.db2.gz VPNLRSMIJGOLPS-SNVBAGLBSA-N -1 1 326.360 2.052 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)N(C[C@@H](C)O)C(C)C ZINC001600652190 1350108179 /nfs/dbraw/zinc/10/81/79/1350108179.db2.gz UUBOOHLJKIPEFV-GHMZBOCLSA-N -1 1 328.434 2.173 20 0 EEADMM Cc1n[nH]c([C@@H]2CCCN(Cc3nc4cc(C(=O)[O-])ccc4[nH]3)C2)n1 ZINC001600695839 1350117764 /nfs/dbraw/zinc/11/77/64/1350117764.db2.gz WMBCTIIZXYPWFP-GFCCVEGCSA-N -1 1 340.387 2.067 20 0 EEADMM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H]3C[C@@H](O)C34CCC4)c12 ZINC001600714812 1350119986 /nfs/dbraw/zinc/11/99/86/1350119986.db2.gz QCLKPNTYIYJBQT-VHSXEESVSA-N -1 1 333.413 2.144 20 0 EEADMM Cn1cc([C@@H](N[C@@H](C(=O)[O-])c2ccc(F)cc2)C2(CO)CCC2)cn1 ZINC001600941564 1350173406 /nfs/dbraw/zinc/17/34/06/1350173406.db2.gz WJMSEYYDYACWBM-HZPDHXFCSA-N -1 1 347.390 2.178 20 0 EEADMM Cn1nnc2cc(CNCc3ccc(C(=O)[O-])c(C4CC4)n3)ccc21 ZINC001601041898 1350196279 /nfs/dbraw/zinc/19/62/79/1350196279.db2.gz VESJDSKHYNVHAL-UHFFFAOYSA-N -1 1 337.383 2.229 20 0 EEADMM O=C([O-])c1cccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC001601303548 1350252915 /nfs/dbraw/zinc/25/29/15/1350252915.db2.gz ZETJOPKPRNAKKT-GLQYFDAESA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC001601303211 1350252951 /nfs/dbraw/zinc/25/29/51/1350252951.db2.gz NVGSRSARYQKCQA-DFBGVHRSSA-N -1 1 346.383 2.041 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC001601309276 1350254631 /nfs/dbraw/zinc/25/46/31/1350254631.db2.gz BJHMIXZZNQUKTQ-GJZGRUSLSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])C1(NC(=O)CN[C@@H](c2ccccn2)C2CC2)CCCCC1 ZINC001601323576 1350256993 /nfs/dbraw/zinc/25/69/93/1350256993.db2.gz JMEYDVQVCVEWEM-MRXNPFEDSA-N -1 1 331.416 2.026 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001601366073 1350267698 /nfs/dbraw/zinc/26/76/98/1350267698.db2.gz RTUZZKMYCJGZDJ-LBPRGKRZSA-N -1 1 342.182 2.071 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccnc4ccncc43)[nH]c21 ZINC001601630439 1350323663 /nfs/dbraw/zinc/32/36/63/1350323663.db2.gz GHIUABRWPZVWAI-UHFFFAOYSA-N -1 1 333.307 2.457 20 0 EEADMM O=C([O-])C1(CS(=O)(=O)N[C@@H]2CCCC2(F)F)CCCCC1 ZINC001601712076 1350345392 /nfs/dbraw/zinc/34/53/92/1350345392.db2.gz ADQJDRBOKKMEBC-SNVBAGLBSA-N -1 1 325.377 2.129 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@H]2CCC[C@@H]21 ZINC001601827546 1350374181 /nfs/dbraw/zinc/37/41/81/1350374181.db2.gz BJOCRGRVGZNBHX-JMSVASOKSA-N -1 1 327.384 2.411 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cc3n(n2)CCCC3)[C@H]([C@H]2CCCO2)C1 ZINC001601828338 1350375089 /nfs/dbraw/zinc/37/50/89/1350375089.db2.gz CRSLCKZYVFXQTH-XOKHGSTOSA-N -1 1 333.432 2.064 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)c2ccc(F)cc2O1 ZINC001601847257 1350379840 /nfs/dbraw/zinc/37/98/40/1350379840.db2.gz YYULEGGGGKOQBO-HNNXBMFYSA-N -1 1 341.298 2.194 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1cccc(Cl)c1 ZINC001601900162 1350392718 /nfs/dbraw/zinc/39/27/18/1350392718.db2.gz UHZBVVJHMLAZFX-WCQYABFASA-N -1 1 348.790 2.210 20 0 EEADMM O=C([O-])C[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC001601904981 1350394196 /nfs/dbraw/zinc/39/41/96/1350394196.db2.gz IYLFTABJKLMPAB-HNNXBMFYSA-N -1 1 327.315 2.419 20 0 EEADMM O=C([O-])CC1(CNC(=O)c2cccc3nc(CO)[nH]c32)CCCCC1 ZINC001601919552 1350397429 /nfs/dbraw/zinc/39/74/29/1350397429.db2.gz VOBHHWPIGBVBRS-UHFFFAOYSA-N -1 1 345.399 2.210 20 0 EEADMM O=C([O-])C[C@H]1CCCN1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC001601955039 1350404881 /nfs/dbraw/zinc/40/48/81/1350404881.db2.gz JUPVYRWKZHJHCU-OAHLLOKOSA-N -1 1 348.447 2.341 20 0 EEADMM O=C([O-])CNC(=O)CNCc1ccc(-c2ccccc2)c(Cl)c1 ZINC001602070693 1350431064 /nfs/dbraw/zinc/43/10/64/1350431064.db2.gz DKAZBSBLBNFTKL-UHFFFAOYSA-N -1 1 332.787 2.297 20 0 EEADMM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC001602106985 1350439674 /nfs/dbraw/zinc/43/96/74/1350439674.db2.gz GWINAJJEASZJGL-SMDDNHRTSA-N -1 1 329.360 2.032 20 0 EEADMM O=C([O-])c1ccc2c(c1)C(=O)N(CN1CC[C@@H](C3CCOCC3)C1)C2 ZINC001602410818 1350513253 /nfs/dbraw/zinc/51/32/53/1350513253.db2.gz VDCGLCWFVXJFRY-OAHLLOKOSA-N -1 1 344.411 2.047 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Cc3nc[nH]n3)cc1)C2 ZINC001602421925 1350515920 /nfs/dbraw/zinc/51/59/20/1350515920.db2.gz NSDCNGYPUQLNNV-UHFFFAOYSA-N -1 1 348.362 2.250 20 0 EEADMM O=C([O-])c1cccc(CS(=O)(=O)Nc2cnc3ccccc3n2)c1 ZINC001602440676 1350520425 /nfs/dbraw/zinc/52/04/25/1350520425.db2.gz CRUIKXIFCIHXLR-UHFFFAOYSA-N -1 1 343.364 2.270 20 0 EEADMM O=C([O-])c1cnc(CNC[C@H](O)c2cc(F)c(F)c(F)c2)s1 ZINC001602521795 1350538234 /nfs/dbraw/zinc/53/82/34/1350538234.db2.gz YVIOTRZGKLEPHD-VIFPVBQESA-N -1 1 332.303 2.082 20 0 EEADMM O=C([O-])c1nn(CN2CCOC[C@@H](C3CCC3)C2)c2ccccc21 ZINC001602586994 1350551873 /nfs/dbraw/zinc/55/18/73/1350551873.db2.gz YXLNZADRUZEDEW-AWEZNQCLSA-N -1 1 329.400 2.441 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2cccc(-c3nnn[n-]3)n2)CC12CCCC2 ZINC001603251869 1350672613 /nfs/dbraw/zinc/67/26/13/1350672613.db2.gz JUSLKDNQMJCIAU-AWEZNQCLSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2cccc(-c3nn[n-]n3)n2)CC12CCCC2 ZINC001603251869 1350672620 /nfs/dbraw/zinc/67/26/20/1350672620.db2.gz JUSLKDNQMJCIAU-AWEZNQCLSA-N -1 1 326.404 2.303 20 0 EEADMM CC(C)c1cccc(C(=O)OCc2nc(-c3nnn[n-]3)cs2)c1N ZINC001603402588 1350700715 /nfs/dbraw/zinc/70/07/15/1350700715.db2.gz VOZSVBIBXGENLO-UHFFFAOYSA-N -1 1 344.400 2.386 20 0 EEADMM CC(C)c1cccc(C(=O)OCc2nc(-c3nn[n-]n3)cs2)c1N ZINC001603402588 1350700716 /nfs/dbraw/zinc/70/07/16/1350700716.db2.gz VOZSVBIBXGENLO-UHFFFAOYSA-N -1 1 344.400 2.386 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001603542721 1350717788 /nfs/dbraw/zinc/71/77/88/1350717788.db2.gz TZONEOXDNGFLTQ-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001603542721 1350717793 /nfs/dbraw/zinc/71/77/93/1350717793.db2.gz TZONEOXDNGFLTQ-VIFPVBQESA-N -1 1 344.325 2.073 20 0 EEADMM CC(C)(CCN1CCOC[C@@H]1C[C@H](O)c1cccs1)C(=O)[O-] ZINC001603599340 1350727007 /nfs/dbraw/zinc/72/70/07/1350727007.db2.gz RBEYBXXBTSNEIA-STQMWFEESA-N -1 1 327.446 2.373 20 0 EEADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)c1nnnn1C1CC1 ZINC001603720705 1350749717 /nfs/dbraw/zinc/74/97/17/1350749717.db2.gz SIBVVWDSHPAMPN-ZETCQYMHSA-N -1 1 332.368 2.181 20 0 EEADMM C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1csc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603735518 1350754744 /nfs/dbraw/zinc/75/47/44/1350754744.db2.gz RQYBMEVPQFSGTP-HZMBPMFUSA-N -1 1 343.412 2.275 20 0 EEADMM CC1(C)CC[C@H](CCNC(=O)c2cccc(F)c2-c2nnn[n-]2)OC1 ZINC001603770892 1350762271 /nfs/dbraw/zinc/76/22/71/1350762271.db2.gz NZGVTISMRZADSC-LLVKDONJSA-N -1 1 347.394 2.331 20 0 EEADMM CC1(C)CC[C@H](CCNC(=O)c2cccc(F)c2-c2nn[n-]n2)OC1 ZINC001603770892 1350762273 /nfs/dbraw/zinc/76/22/73/1350762273.db2.gz NZGVTISMRZADSC-LLVKDONJSA-N -1 1 347.394 2.331 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CCc2ccccc21 ZINC001603783349 1350766676 /nfs/dbraw/zinc/76/66/76/1350766676.db2.gz VUIMDYWNNFOYLH-UHFFFAOYSA-N -1 1 337.383 2.436 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CCc2ccccc21 ZINC001603783349 1350766681 /nfs/dbraw/zinc/76/66/81/1350766681.db2.gz VUIMDYWNNFOYLH-UHFFFAOYSA-N -1 1 337.383 2.436 20 0 EEADMM CC(C)C[N@H+](CCC(=O)[O-])Cc1ncc(Br)cc1[O-] ZINC001603812001 1350774861 /nfs/dbraw/zinc/77/48/61/1350774861.db2.gz VKDGHWGMCIETHE-UHFFFAOYSA-N -1 1 331.210 2.482 20 0 EEADMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1ncc(Br)cc1[O-] ZINC001603812001 1350774866 /nfs/dbraw/zinc/77/48/66/1350774866.db2.gz VKDGHWGMCIETHE-UHFFFAOYSA-N -1 1 331.210 2.482 20 0 EEADMM C[C@H]1C[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)CC(C)(C)C1=O ZINC001603866616 1350786026 /nfs/dbraw/zinc/78/60/26/1350786026.db2.gz BTDRMWCKSLKYJV-DTWKUNHWSA-N -1 1 334.401 2.479 20 0 EEADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCCc1nc[nH]n1 ZINC001603943333 1350809896 /nfs/dbraw/zinc/80/98/96/1350809896.db2.gz VOJKUUAHBDWSED-UHFFFAOYSA-N -1 1 347.375 2.044 20 0 EEADMM C[C@](CC(=O)[O-])(NC(=O)c1ccc2[nH]nnc2c1)c1cccc(F)c1 ZINC001604086279 1350851554 /nfs/dbraw/zinc/85/15/54/1350851554.db2.gz RIOMRTJYYUGUMZ-QGZVFWFLSA-N -1 1 342.330 2.217 20 0 EEADMM CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)[nH]1 ZINC001604387991 1350927306 /nfs/dbraw/zinc/92/73/06/1350927306.db2.gz HNRYUWQZRHTDAI-UHFFFAOYSA-N -1 1 340.387 2.004 20 0 EEADMM CCc1nc(N[C@@H](C)c2ccccc2OC)cc(-c2nnn[n-]2)n1 ZINC001604569816 1350962008 /nfs/dbraw/zinc/96/20/08/1350962008.db2.gz SOMTVFISTNFQHU-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM CCc1nc(N[C@@H](C)c2ccccc2OC)cc(-c2nn[n-]n2)n1 ZINC001604569816 1350962012 /nfs/dbraw/zinc/96/20/12/1350962012.db2.gz SOMTVFISTNFQHU-JTQLQIEISA-N -1 1 325.376 2.401 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001604589743 1350966431 /nfs/dbraw/zinc/96/64/31/1350966431.db2.gz ZWAXOSLJTVEBFP-RISCZKNCSA-N -1 1 348.296 2.094 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1CCS(=O)(=O)C1CCCCC1 ZINC001604652179 1350977461 /nfs/dbraw/zinc/97/74/61/1350977461.db2.gz KSVUTCKVCUWWQE-BTTYYORXSA-N -1 1 331.478 2.308 20 0 EEADMM CN(C(=O)c1ccnc(-c2nnn[n-]2)c1)C1C2CC3CC(C2)CC1C3 ZINC001604660348 1350980334 /nfs/dbraw/zinc/98/03/34/1350980334.db2.gz QHTFFKXGGABOGN-UHFFFAOYSA-N -1 1 338.415 2.158 20 0 EEADMM CN(C(=O)c1ccnc(-c2nn[n-]n2)c1)C1C2CC3CC(C2)CC1C3 ZINC001604660348 1350980335 /nfs/dbraw/zinc/98/03/35/1350980335.db2.gz QHTFFKXGGABOGN-UHFFFAOYSA-N -1 1 338.415 2.158 20 0 EEADMM CN(C(=O)c1nccc2ccsc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001604666414 1350980739 /nfs/dbraw/zinc/98/07/39/1350980739.db2.gz QTHMFQJKVAPWLJ-UHFFFAOYSA-N -1 1 337.368 2.148 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1oncc1C(=O)[O-] ZINC001604673426 1350982124 /nfs/dbraw/zinc/98/21/24/1350982124.db2.gz FOUBQRCQUNKHKB-QWRGUYRKSA-N -1 1 339.392 2.250 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001604767803 1350999321 /nfs/dbraw/zinc/99/93/21/1350999321.db2.gz WVECFMPKOMKQQV-QFYYESIMSA-N -1 1 325.368 2.363 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)OCc1cccc(Cl)c1 ZINC001604793212 1351005535 /nfs/dbraw/zinc/00/55/35/1351005535.db2.gz UCQOAYMMPUEKRI-GFCCVEGCSA-N -1 1 340.807 2.457 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)c(C)c1 ZINC001604974297 1351043116 /nfs/dbraw/zinc/04/31/16/1351043116.db2.gz FTLUCEINEKTORE-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)c(C)c1 ZINC001604974297 1351043121 /nfs/dbraw/zinc/04/31/21/1351043121.db2.gz FTLUCEINEKTORE-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM CC[C@H]1CN(C)CCN1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001605174102 1351095191 /nfs/dbraw/zinc/09/51/91/1351095191.db2.gz SIIZOTAFCJXGNL-LBPRGKRZSA-N -1 1 339.461 2.028 20 0 EEADMM CC[C@@H]1CN(CC)CCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001605179364 1351096702 /nfs/dbraw/zinc/09/67/02/1351096702.db2.gz QTCKFMJRUGOSLU-GFCCVEGCSA-N -1 1 340.449 2.108 20 0 EEADMM CC[C@@H]1CN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC001605179334 1351097086 /nfs/dbraw/zinc/09/70/86/1351097086.db2.gz PYUSUJDANXHHCJ-OGWOLHLISA-N -1 1 349.427 2.308 20 0 EEADMM CCCN(CC(=O)N(C)C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001605306971 1351131641 /nfs/dbraw/zinc/13/16/41/1351131641.db2.gz VRVQQHWKWYZSPD-UHFFFAOYSA-N -1 1 329.400 2.233 20 0 EEADMM COc1cccc2c1[C@@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)CC2 ZINC001605325249 1351137612 /nfs/dbraw/zinc/13/76/12/1351137612.db2.gz ONNCBQYMBXGSEB-LBPRGKRZSA-N -1 1 340.339 2.242 20 0 EEADMM COc1cccc2c1[C@@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)CC2 ZINC001605325249 1351137615 /nfs/dbraw/zinc/13/76/15/1351137615.db2.gz ONNCBQYMBXGSEB-LBPRGKRZSA-N -1 1 340.339 2.242 20 0 EEADMM CCCc1csc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)n1 ZINC001605378485 1351149161 /nfs/dbraw/zinc/14/91/61/1351149161.db2.gz GJGANAIZKLGWFL-UHFFFAOYSA-N -1 1 340.449 2.108 20 0 EEADMM CC[N@@H+](CCOc1cccc(C(=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC001605453527 1351161483 /nfs/dbraw/zinc/16/14/83/1351161483.db2.gz SECLAFUKSKLHDR-UHFFFAOYSA-N -1 1 348.443 2.488 20 0 EEADMM CCN(CCOc1cccc(C(=O)[O-])c1)CC(=O)N1CCCCCC1 ZINC001605453527 1351161484 /nfs/dbraw/zinc/16/14/84/1351161484.db2.gz SECLAFUKSKLHDR-UHFFFAOYSA-N -1 1 348.443 2.488 20 0 EEADMM CCN1CCC(NC(=O)CC(C)(C)CC(=O)[O-])(C(F)(F)F)CC1 ZINC001605471924 1351164799 /nfs/dbraw/zinc/16/47/99/1351164799.db2.gz BPWKQVRKBYIKPR-UHFFFAOYSA-N -1 1 338.370 2.410 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)C2CCC(C3CC3)CC2)nn1C ZINC001605464834 1351163309 /nfs/dbraw/zinc/16/33/09/1351163309.db2.gz MZEZOPCFEHHUOO-UHFFFAOYSA-N -1 1 329.408 2.064 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)C2CCC(C3CC3)CC2)nn1C ZINC001605464834 1351163310 /nfs/dbraw/zinc/16/33/10/1351163310.db2.gz MZEZOPCFEHHUOO-UHFFFAOYSA-N -1 1 329.408 2.064 20 0 EEADMM CCN(c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1)C(C)C ZINC001605461993 1351163527 /nfs/dbraw/zinc/16/35/27/1351163527.db2.gz FHYNBKRFMJOQSQ-MRXNPFEDSA-N -1 1 344.415 2.070 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccn1Cc1ccccc1 ZINC001605480623 1351167569 /nfs/dbraw/zinc/16/75/69/1351167569.db2.gz BRRNXKBZVIRZFF-UHFFFAOYSA-N -1 1 348.370 2.000 20 0 EEADMM Cc1c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccn1Cc1ccccc1 ZINC001605480623 1351167573 /nfs/dbraw/zinc/16/75/73/1351167573.db2.gz BRRNXKBZVIRZFF-UHFFFAOYSA-N -1 1 348.370 2.000 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC001605555384 1351189748 /nfs/dbraw/zinc/18/97/48/1351189748.db2.gz DPEXUQIJQUKFTL-UHFFFAOYSA-N -1 1 335.293 2.019 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N(C)Cc2cc(F)c(F)c(F)c2)n1 ZINC001605555384 1351189750 /nfs/dbraw/zinc/18/97/50/1351189750.db2.gz DPEXUQIJQUKFTL-UHFFFAOYSA-N -1 1 335.293 2.019 20 0 EEADMM CCOC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n[nH]1 ZINC001605565624 1351191336 /nfs/dbraw/zinc/19/13/36/1351191336.db2.gz DMSXVDSEVJBWBY-UHFFFAOYSA-N -1 1 337.719 2.190 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccc(Cl)c(N(C)C)c2)n1 ZINC001605584359 1351194313 /nfs/dbraw/zinc/19/43/13/1351194313.db2.gz RMXJKBFIRCUSIE-UHFFFAOYSA-N -1 1 330.783 2.428 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccc(Cl)c(N(C)C)c2)n1 ZINC001605584359 1351194316 /nfs/dbraw/zinc/19/43/16/1351194316.db2.gz RMXJKBFIRCUSIE-UHFFFAOYSA-N -1 1 330.783 2.428 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1[C@@H](C)C1CC1 ZINC001605628290 1351204589 /nfs/dbraw/zinc/20/45/89/1351204589.db2.gz ZUIHULVHTZHIGR-QMMMGPOBSA-N -1 1 344.404 2.051 20 0 EEADMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1[C@@H](C)C1CC1 ZINC001605628290 1351204594 /nfs/dbraw/zinc/20/45/94/1351204594.db2.gz ZUIHULVHTZHIGR-QMMMGPOBSA-N -1 1 344.404 2.051 20 0 EEADMM Cc1cc(N2CC[C@@H](N(C)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001605693121 1351216149 /nfs/dbraw/zinc/21/61/49/1351216149.db2.gz HSYMQFQCHJTTPI-OAHLLOKOSA-N -1 1 335.415 2.285 20 0 EEADMM Cc1cc(N2CC[C@@H](N(C)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001605693121 1351216151 /nfs/dbraw/zinc/21/61/51/1351216151.db2.gz HSYMQFQCHJTTPI-OAHLLOKOSA-N -1 1 335.415 2.285 20 0 EEADMM CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001605730916 1351219221 /nfs/dbraw/zinc/21/92/21/1351219221.db2.gz JCMQJXYZWKQHGY-NSHDSACASA-N -1 1 336.413 2.357 20 0 EEADMM Cc1ccc(C(=O)Nc2ccccc2-n2cnc(-c3nn[n-]n3)n2)cc1 ZINC001605822951 1351228900 /nfs/dbraw/zinc/22/89/00/1351228900.db2.gz BDIHANQDFCKKBY-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(-c2nnn[n-]2)n1 ZINC001605864621 1351240693 /nfs/dbraw/zinc/24/06/93/1351240693.db2.gz KGLFSEIBXVRQDK-NXEZZACHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(-c2nn[n-]n2)n1 ZINC001605864621 1351240695 /nfs/dbraw/zinc/24/06/95/1351240695.db2.gz KGLFSEIBXVRQDK-NXEZZACHSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(NCc2cccc(C(=O)NC3CC3)c2)nc1-c1nnn[n-]1 ZINC001605875734 1351243975 /nfs/dbraw/zinc/24/39/75/1351243975.db2.gz XNWQCXWLYUIFLI-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM Cc1ccc(NCc2cccc(C(=O)NC3CC3)c2)nc1-c1nn[n-]n1 ZINC001605875734 1351243977 /nfs/dbraw/zinc/24/39/77/1351243977.db2.gz XNWQCXWLYUIFLI-UHFFFAOYSA-N -1 1 349.398 2.074 20 0 EEADMM CN(C)[C@H](CNC(=O)NCC(C)(C)CC(=O)[O-])c1cccs1 ZINC001606011897 1351262770 /nfs/dbraw/zinc/26/27/70/1351262770.db2.gz CVKFDCQYOYTEPK-LLVKDONJSA-N -1 1 327.450 2.151 20 0 EEADMM Cc1noc(C2CC2)c1NC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001606132487 1351277429 /nfs/dbraw/zinc/27/74/29/1351277429.db2.gz ULUWAXQLXUKBSH-UHFFFAOYSA-N -1 1 346.376 2.449 20 0 EEADMM Cc1noc(C2CC2)c1NC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001606132487 1351277432 /nfs/dbraw/zinc/27/74/32/1351277432.db2.gz ULUWAXQLXUKBSH-UHFFFAOYSA-N -1 1 346.376 2.449 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC001606165670 1351280319 /nfs/dbraw/zinc/28/03/19/1351280319.db2.gz IMAYFZDTTCKEDA-YPMHNXCESA-N -1 1 333.417 2.268 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC001606165670 1351280321 /nfs/dbraw/zinc/28/03/21/1351280321.db2.gz IMAYFZDTTCKEDA-YPMHNXCESA-N -1 1 333.417 2.268 20 0 EEADMM CN(Cc1sc(N2CCOCC2)nc1Cl)C(C)(C)CC(=O)[O-] ZINC001606179639 1351282486 /nfs/dbraw/zinc/28/24/86/1351282486.db2.gz XJAZDYGHGGGSAS-UHFFFAOYSA-N -1 1 347.868 2.318 20 0 EEADMM O=C(CCc1cccc(Cl)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606530464 1351318185 /nfs/dbraw/zinc/31/81/85/1351318185.db2.gz AMMJRKHDEKGYCG-UHFFFAOYSA-N -1 1 328.763 2.486 20 0 EEADMM O=C(CCc1cccc(Cl)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606530464 1351318188 /nfs/dbraw/zinc/31/81/88/1351318188.db2.gz AMMJRKHDEKGYCG-UHFFFAOYSA-N -1 1 328.763 2.486 20 0 EEADMM COC(=O)c1cc(CN2CC[C@H](n3cc(C)cn3)C2)cc(C(=O)[O-])c1 ZINC001606541613 1351319475 /nfs/dbraw/zinc/31/94/75/1351319475.db2.gz FRBCSMVCUSDYJP-INIZCTEOSA-N -1 1 343.383 2.123 20 0 EEADMM COC(=O)c1cc(CN[C@@H](CO)c2ccccc2C)cc(C(=O)[O-])c1 ZINC001606543522 1351319895 /nfs/dbraw/zinc/31/98/95/1351319895.db2.gz DONIORRXKJLBMY-KRWDZBQOSA-N -1 1 343.379 2.303 20 0 EEADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606634336 1351334916 /nfs/dbraw/zinc/33/49/16/1351334916.db2.gz URNXJTSOSUFGQA-CQSZACIVSA-N -1 1 333.342 2.453 20 0 EEADMM O=C(N[C@@H](C1CC1)C1CCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606634336 1351334919 /nfs/dbraw/zinc/33/49/19/1351334919.db2.gz URNXJTSOSUFGQA-CQSZACIVSA-N -1 1 333.342 2.453 20 0 EEADMM COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001606655738 1351337802 /nfs/dbraw/zinc/33/78/02/1351337802.db2.gz ANOVMXMDSIHBAP-JTQLQIEISA-N -1 1 328.434 2.439 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1ccsc1-c1nnn[n-]1 ZINC001606695347 1351343190 /nfs/dbraw/zinc/34/31/90/1351343190.db2.gz CEYKHRIVSMAAPI-JQWIXIFHSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1ccsc1-c1nn[n-]n1 ZINC001606695347 1351343193 /nfs/dbraw/zinc/34/31/93/1351343193.db2.gz CEYKHRIVSMAAPI-JQWIXIFHSA-N -1 1 345.359 2.130 20 0 EEADMM O=C(NCC1(c2ccccc2)CCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606715293 1351345823 /nfs/dbraw/zinc/34/58/23/1351345823.db2.gz QIQDLKLLGMXTKN-UHFFFAOYSA-N -1 1 334.383 2.113 20 0 EEADMM O=C(NCC1(c2ccccc2)CCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606715293 1351345826 /nfs/dbraw/zinc/34/58/26/1351345826.db2.gz QIQDLKLLGMXTKN-UHFFFAOYSA-N -1 1 334.383 2.113 20 0 EEADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606723969 1351347013 /nfs/dbraw/zinc/34/70/13/1351347013.db2.gz VBVCPXNWBKYSHT-SSDOTTSWSA-N -1 1 342.737 2.080 20 0 EEADMM CO[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2O)[C@](C)(C(=O)[O-])C1 ZINC001606765946 1351353822 /nfs/dbraw/zinc/35/38/22/1351353822.db2.gz WZPDMYPQRDLSPM-CLAHSXSESA-N -1 1 347.289 2.115 20 0 EEADMM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606866242 1351367782 /nfs/dbraw/zinc/36/77/82/1351367782.db2.gz ZEYVXVCVILBWPR-RKDXNWHRSA-N -1 1 327.266 2.087 20 0 EEADMM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606866242 1351367785 /nfs/dbraw/zinc/36/77/85/1351367785.db2.gz ZEYVXVCVILBWPR-RKDXNWHRSA-N -1 1 327.266 2.087 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2ccccc2c(Cl)n1 ZINC001606893610 1351370643 /nfs/dbraw/zinc/37/06/43/1351370643.db2.gz XYUNUCJUXCJWKJ-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2ccccc2c(Cl)n1 ZINC001606893610 1351370648 /nfs/dbraw/zinc/37/06/48/1351370648.db2.gz XYUNUCJUXCJWKJ-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Oc1cnn(-c2ccccc2)c1)c1ccsc1-c1nnn[n-]1 ZINC001606990442 1351394190 /nfs/dbraw/zinc/39/41/90/1351394190.db2.gz BJRCVSXUKJYXGY-UHFFFAOYSA-N -1 1 338.352 2.333 20 0 EEADMM O=C(Oc1cnn(-c2ccccc2)c1)c1ccsc1-c1nn[n-]n1 ZINC001606990442 1351394194 /nfs/dbraw/zinc/39/41/94/1351394194.db2.gz BJRCVSXUKJYXGY-UHFFFAOYSA-N -1 1 338.352 2.333 20 0 EEADMM O=c1c(-c2nnn[n-]2)c2c(cn1CN1CCCCCCC1)CCCC2 ZINC001607089399 1351412954 /nfs/dbraw/zinc/41/29/54/1351412954.db2.gz SADYEFCUNIBFEP-UHFFFAOYSA-N -1 1 342.447 2.131 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CC[C@@H]1CCCCO1 ZINC001607090707 1351414112 /nfs/dbraw/zinc/41/41/12/1351414112.db2.gz VZXXSCFGHCIMMB-JTQLQIEISA-N -1 1 331.401 2.202 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@H]1CC[C@@H](C2CC2)O1 ZINC001607090243 1351414251 /nfs/dbraw/zinc/41/42/51/1351414251.db2.gz NHEYPSGHZFXMRB-MFKMUULPSA-N -1 1 343.412 2.201 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC001607097408 1351416561 /nfs/dbraw/zinc/41/65/61/1351416561.db2.gz PKVKVFNNWHXQMU-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM O[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC001607097408 1351416563 /nfs/dbraw/zinc/41/65/63/1351416563.db2.gz PKVKVFNNWHXQMU-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CN[C@H](C(=O)[O-])C1CCCCC1 ZINC001607337819 1351477541 /nfs/dbraw/zinc/47/75/41/1351477541.db2.gz FUJDGORGFGRZGD-ACJLOTCBSA-N -1 1 348.443 2.496 20 0 EEADMM COc1ccccc1NC(=O)CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001607347207 1351479790 /nfs/dbraw/zinc/47/97/90/1351479790.db2.gz ZYSNUMHOSHHEFB-GOSISDBHSA-N -1 1 343.383 2.008 20 0 EEADMM C[S@@](=O)c1cccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001607386130 1351485084 /nfs/dbraw/zinc/48/50/84/1351485084.db2.gz UHTSTZXRVIPNFI-XMMPIXPASA-N -1 1 343.364 2.251 20 0 EEADMM Cc1cc(S(=O)(=O)NCc2cnc(C(C)C)[nH]2)ccc1C(=O)[O-] ZINC001607706793 1351543396 /nfs/dbraw/zinc/54/33/96/1351543396.db2.gz CJNROVVICPLHLF-UHFFFAOYSA-N -1 1 337.401 2.018 20 0 EEADMM Cc1cc2cc[nH]c2cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC001607712480 1351545003 /nfs/dbraw/zinc/54/50/03/1351545003.db2.gz GOFXBYSUXPMNSE-ZDUSSCGKSA-N -1 1 344.415 2.489 20 0 EEADMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(=O)[O-])n3C)n2)cc1 ZINC001607720954 1351546547 /nfs/dbraw/zinc/54/65/47/1351546547.db2.gz NWQDVEVXUGHWRA-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)N2CCSC[C@@H](C(=O)[O-])C2)cc1C ZINC001607797416 1351560815 /nfs/dbraw/zinc/56/08/15/1351560815.db2.gz AZLUPFGJGYISEF-KBPBESRZSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cc(C3CC3)nn2C)cc1C(=O)[O-] ZINC001607810657 1351563674 /nfs/dbraw/zinc/56/36/74/1351563674.db2.gz DYWFBSRCBZROFX-UHFFFAOYSA-N -1 1 335.385 2.105 20 0 EEADMM Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCN(CC(=O)[O-])CC1 ZINC001607841352 1351569389 /nfs/dbraw/zinc/56/93/89/1351569389.db2.gz IYWRWNLDHNEOPF-OAHLLOKOSA-N -1 1 347.459 2.148 20 0 EEADMM Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=N[C@H]3CCC[C@H](CO)C3)c12 ZINC001607965514 1351594637 /nfs/dbraw/zinc/59/46/37/1351594637.db2.gz NUWHTZGIRRMMHL-QWRGUYRKSA-N -1 1 335.429 2.391 20 0 EEADMM Cc1ncc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC001607984152 1351598006 /nfs/dbraw/zinc/59/80/06/1351598006.db2.gz TYRQMFIFRYPERG-UHFFFAOYSA-N -1 1 338.410 2.369 20 0 EEADMM Cc1oc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cc1C(=O)[O-] ZINC001608048430 1351614341 /nfs/dbraw/zinc/61/43/41/1351614341.db2.gz LTMDXZVOMJSXLN-UHFFFAOYSA-N -1 1 326.312 2.001 20 0 EEADMM Cc1oc(CNC[C@H](O)COc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC001608050762 1351614971 /nfs/dbraw/zinc/61/49/71/1351614971.db2.gz KJHLTEVXXIPPCC-LBPRGKRZSA-N -1 1 344.367 2.297 20 0 EEADMM Cn1c(CN2CCCC[C@H]2COC(=O)N2CCCC2)ccc1C(=O)[O-] ZINC001608087403 1351622063 /nfs/dbraw/zinc/62/20/63/1351622063.db2.gz NKZUWJQBOOGBFP-HNNXBMFYSA-N -1 1 349.431 2.310 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]1CCCc2ccccc21 ZINC001608297457 1351666232 /nfs/dbraw/zinc/66/62/32/1351666232.db2.gz RUTGCXRTPFEZOV-BBRMVZONSA-N -1 1 327.384 2.032 20 0 EEADMM O=C([O-])C1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCCCC1 ZINC001608427989 1351693346 /nfs/dbraw/zinc/69/33/46/1351693346.db2.gz IPGJBQWRMVVIKJ-UHFFFAOYSA-N -1 1 328.372 2.237 20 0 EEADMM CCC(CC)(NC(=O)c1ccc(-c2nc(C)no2)cc1)c1nn[n-]n1 ZINC001626904271 1352476885 /nfs/dbraw/zinc/47/68/85/1352476885.db2.gz HLNVFUQFTDBZBO-UHFFFAOYSA-N -1 1 341.375 2.003 20 0 EEADMM NC(=O)C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001628502922 1352536005 /nfs/dbraw/zinc/53/60/05/1352536005.db2.gz ZVMNBHRFGMOYMF-HNNXBMFYSA-N -1 1 335.363 2.287 20 0 EEADMM CC(C)Cn1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c2ccccc21 ZINC001634157543 1352622336 /nfs/dbraw/zinc/62/23/36/1352622336.db2.gz IWQBDSXDWNHYGH-UHFFFAOYSA-N -1 1 340.383 2.429 20 0 EEADMM Cc1c(C(=O)N2CCC(CCC(=O)[O-])CC2)n[nH]c1C(F)(F)F ZINC001646903194 1353036937 /nfs/dbraw/zinc/03/69/37/1353036937.db2.gz HYYBZUZSBTXDRS-UHFFFAOYSA-N -1 1 333.310 2.454 20 0 EEADMM COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2[O-])n(C)n1 ZINC001647803473 1353402231 /nfs/dbraw/zinc/40/22/31/1353402231.db2.gz LOEBBCOCMDNKHV-UHFFFAOYSA-N -1 1 325.324 2.318 20 0 EEADMM C[C@](O)(CCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649791087 1353599753 /nfs/dbraw/zinc/59/97/53/1353599753.db2.gz PPXRTJIANXRDDC-IBGZPJMESA-N -1 1 344.363 2.208 20 0 EEADMM Cc1nsc(NC2CC2)c1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001649818040 1353609986 /nfs/dbraw/zinc/60/99/86/1353609986.db2.gz OXGAFKRUFRXZKQ-UHFFFAOYSA-N -1 1 348.380 2.477 20 0 EEADMM CCN1CC[C@H](OC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1=O ZINC001649878823 1353634983 /nfs/dbraw/zinc/63/49/83/1353634983.db2.gz PIVZLMGIXOCWNC-ZDUSSCGKSA-N -1 1 349.774 2.009 20 0 EEADMM CNC(=O)Cn1cc([N-]c2nc(-c3cccc(C)c3)ns2)cn1 ZINC001650657039 1354025998 /nfs/dbraw/zinc/02/59/98/1354025998.db2.gz KOBSRFNKGLTQHV-UHFFFAOYSA-N -1 1 328.401 2.200 20 0 EEADMM Cc1cc(C(=O)NCCc2n[n-]c(=S)n2C)c(C)n1CC1CC1 ZINC000067051041 1354089347 /nfs/dbraw/zinc/08/93/47/1354089347.db2.gz LAXLWEXCGOSTRI-UHFFFAOYSA-N -1 1 333.461 2.279 20 0 EEADMM COC(=O)c1nn(C)c2ccc(NC(=O)c3ccc([O-])cc3F)cc12 ZINC001186328763 1368195583 /nfs/dbraw/zinc/19/55/83/1368195583.db2.gz IJVOYSCKXSCIBV-UHFFFAOYSA-N -1 1 343.314 2.457 20 0 EEADMM O=S(=O)([N-]C[C@H]1CCOC1)c1cc(Cl)c(Cl)cc1F ZINC001201275940 1368801131 /nfs/dbraw/zinc/80/11/31/1368801131.db2.gz GWTLSXRSOPLKLA-SSDOTTSWSA-N -1 1 328.192 2.447 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]c2ccccc2O)C1 ZINC001201689608 1368836250 /nfs/dbraw/zinc/83/62/50/1368836250.db2.gz ZQFZDGLTLASXSW-NSHDSACASA-N -1 1 342.417 2.143 20 0 EEADMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cn(C(C)C)cn1 ZINC001201769237 1368842334 /nfs/dbraw/zinc/84/23/34/1368842334.db2.gz PADYWERXQUBYNP-UHFFFAOYSA-N -1 1 334.854 2.361 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001488767835 1369061654 /nfs/dbraw/zinc/06/16/54/1369061654.db2.gz CBVWSNCZQXEDFN-NWDGAFQWSA-N -1 1 345.399 2.324 20 0 EEADMM Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc([O-])c(F)c2)C3)n1 ZINC000927057761 1369861926 /nfs/dbraw/zinc/86/19/26/1369861926.db2.gz SVIMZHCLFMZDCK-SJCJKPOMSA-N -1 1 331.347 2.417 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@@H](C)CNC(=O)c2ncccc2[O-])s1 ZINC001389368204 1388078076 /nfs/dbraw/zinc/07/80/76/1388078076.db2.gz NZDOCPGSJOHUKT-JTQLQIEISA-N -1 1 333.413 2.014 20 0 EEADMM O=C(NC1CCCCC1)c1ccc(NC(=O)c2ncccn2)cc1[O-] ZINC000781099752 1371188816 /nfs/dbraw/zinc/18/88/16/1371188816.db2.gz HDTQUIWUJLPEDX-UHFFFAOYSA-N -1 1 340.383 2.497 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC000781692231 1371244641 /nfs/dbraw/zinc/24/46/41/1371244641.db2.gz DLENRUBBVNBNDN-CYBMUJFWSA-N -1 1 333.384 2.321 20 0 EEADMM COC(=O)c1ccc(C(=O)OCc2cc(COC(C)(C)C)on2)[n-]1 ZINC000797117084 1371505540 /nfs/dbraw/zinc/50/55/40/1371505540.db2.gz BBYVAFCYHYQUBY-UHFFFAOYSA-N -1 1 336.344 2.461 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNc1cncc(Cl)n1)C1CC1 ZINC001115508612 1371651218 /nfs/dbraw/zinc/65/12/18/1371651218.db2.gz WLZVWEDEFXVXTD-NSHDSACASA-N -1 1 347.806 2.193 20 0 EEADMM CCc1ccc(-c2nnc(-c3coc(S(=O)(=O)[N-]C)c3)o2)cc1 ZINC001117193686 1371746055 /nfs/dbraw/zinc/74/60/55/1371746055.db2.gz UDNZYZJLWIIPNB-UHFFFAOYSA-N -1 1 333.369 2.467 20 0 EEADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000830779840 1372349305 /nfs/dbraw/zinc/34/93/05/1372349305.db2.gz YNXOSXMHOSHSGA-JTQLQIEISA-N -1 1 337.850 2.412 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@H]2CCOC[C@H]2C)c(=O)[n-]1 ZINC000835781888 1372655641 /nfs/dbraw/zinc/65/56/41/1372655641.db2.gz NLPMQAMCSKSURI-SKDRFNHKSA-N -1 1 326.418 2.113 20 0 EEADMM O=C(COC(=O)[C@H]1CCCCC1(F)F)[N-]C(=O)c1ccccc1 ZINC000837824729 1372804820 /nfs/dbraw/zinc/80/48/20/1372804820.db2.gz GHQJNSDVLRDYPO-GFCCVEGCSA-N -1 1 325.311 2.312 20 0 EEADMM CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)[N-]OCC(C)(C)O)CC1=O ZINC000839742416 1372912820 /nfs/dbraw/zinc/91/28/20/1372912820.db2.gz WFTQUORFVMJWNT-ZIAGYGMSSA-N -1 1 348.443 2.372 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CN1C(=O)CC12CCCC2 ZINC000848502531 1373155977 /nfs/dbraw/zinc/15/59/77/1373155977.db2.gz OAPYURODQGDYRQ-VXGBXAGGSA-N -1 1 347.381 2.020 20 0 EEADMM Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)o1 ZINC001361595973 1373313801 /nfs/dbraw/zinc/31/38/01/1373313801.db2.gz HPQSIHXNFVJXHC-UHFFFAOYSA-N -1 1 340.401 2.188 20 0 EEADMM COC1CCC(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)CC1 ZINC001361608135 1373316746 /nfs/dbraw/zinc/31/67/46/1373316746.db2.gz MTGOXUWGQJBTJB-UHFFFAOYSA-N -1 1 339.461 2.219 20 0 EEADMM CSc1ncc(C(=O)Nc2cccc(C[S@@](C)=O)c2)c(=O)[n-]1 ZINC001362161581 1373373660 /nfs/dbraw/zinc/37/36/60/1373373660.db2.gz OKDJTBQGOHRDJC-JOCHJYFZSA-N -1 1 337.426 2.035 20 0 EEADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc([O-])cn1 ZINC001362161379 1373373855 /nfs/dbraw/zinc/37/38/55/1373373855.db2.gz SKUJUDWFIGVESW-KRWDZBQOSA-N -1 1 337.420 2.456 20 0 EEADMM COc1cc(Br)cc(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC001362504451 1373424819 /nfs/dbraw/zinc/42/48/19/1373424819.db2.gz PWJZWNJWVRHHOG-UHFFFAOYSA-N -1 1 326.150 2.447 20 0 EEADMM COc1cccc([O-])c1C(=O)Nc1ccc(NC(N)=O)c(OC)c1 ZINC001362516203 1373426529 /nfs/dbraw/zinc/42/65/29/1373426529.db2.gz GJSCKSQQUBCNEB-UHFFFAOYSA-N -1 1 331.328 2.152 20 0 EEADMM O=C(NCc1ccc(N2CCCNC2=O)cc1)c1c([O-])cccc1F ZINC001362698455 1373452422 /nfs/dbraw/zinc/45/24/22/1373452422.db2.gz HMGKZUZJWDLJKV-UHFFFAOYSA-N -1 1 343.358 2.381 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C(N)=O)c2)ccc1F ZINC001363868732 1373553184 /nfs/dbraw/zinc/55/31/84/1373553184.db2.gz WWQVNYAKASHWOK-UHFFFAOYSA-N -1 1 337.376 2.450 20 0 EEADMM CSCC[C@H](NC(=O)Nc1scnc1C(C)C)c1nn[n-]n1 ZINC001365056820 1373659981 /nfs/dbraw/zinc/65/99/81/1373659981.db2.gz WDDPCASUOJCYMA-QMMMGPOBSA-N -1 1 341.466 2.396 20 0 EEADMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001365133871 1373675140 /nfs/dbraw/zinc/67/51/40/1373675140.db2.gz KMYRYCRQNYCTEI-SECBINFHSA-N -1 1 327.793 2.003 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)NC1(CNC(=O)c2ncccc2[O-])CC1 ZINC001389811575 1388310064 /nfs/dbraw/zinc/31/00/64/1388310064.db2.gz CJNHFPKHANSEKT-ZDUSSCGKSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])CN1C(=O)CCCC1CC1 ZINC001370883652 1375099790 /nfs/dbraw/zinc/09/97/90/1375099790.db2.gz NQMKZWUOXXHKPQ-GXTWGEPZSA-N -1 1 331.416 2.087 20 0 EEADMM Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ncccc2[O-])o1 ZINC001371272282 1375342750 /nfs/dbraw/zinc/34/27/50/1375342750.db2.gz ZYSCLEGAGQGYNN-GHMZBOCLSA-N -1 1 331.372 2.016 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001371353488 1375402763 /nfs/dbraw/zinc/40/27/63/1375402763.db2.gz NQCJRUNRFKMJBL-CQSZACIVSA-N -1 1 341.411 2.052 20 0 EEADMM O=C(CCCC1CC1)NC[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001371723124 1375606429 /nfs/dbraw/zinc/60/64/29/1375606429.db2.gz RYHDPXQLFCYAMD-LSDHHAIUSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CNC(=O)C1CCCC1 ZINC001372748004 1376180690 /nfs/dbraw/zinc/18/06/90/1376180690.db2.gz ADJYATXAHOHEHF-NSHDSACASA-N -1 1 348.447 2.039 20 0 EEADMM CC[C@@H](CNC(=O)CC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001374999681 1377268512 /nfs/dbraw/zinc/26/85/12/1377268512.db2.gz JWJDCQLIPJTNDP-LBPRGKRZSA-N -1 1 348.447 2.120 20 0 EEADMM CCCc1nc(CN(C)CCNC(=O)c2ncccc2[O-])cs1 ZINC001377141069 1379000604 /nfs/dbraw/zinc/00/06/04/1379000604.db2.gz QJEXHKSDYNXHPT-UHFFFAOYSA-N -1 1 334.445 2.058 20 0 EEADMM CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H](CC)C1 ZINC001378172739 1379752894 /nfs/dbraw/zinc/75/28/94/1379752894.db2.gz FTEUQGHWRNUSRU-KGLIPLIRSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H]1CCCC[C@@]1(CNCc1n[nH]c(=O)[n-]1)NC(=O)CCC1(C)CC1 ZINC001378435069 1379957957 /nfs/dbraw/zinc/95/79/57/1379957957.db2.gz SORXXQIVAKOZQS-ACJLOTCBSA-N -1 1 349.479 2.245 20 0 EEADMM CCC(CC)C(=O)N[C@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001378885263 1380231073 /nfs/dbraw/zinc/23/10/73/1380231073.db2.gz OUPOBIJPDYOBDC-CQSZACIVSA-N -1 1 337.468 2.101 20 0 EEADMM CCCC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CCCC1 ZINC001381069779 1381498087 /nfs/dbraw/zinc/49/80/87/1381498087.db2.gz WNYJEIFRTBIIJD-AWEZNQCLSA-N -1 1 333.432 2.382 20 0 EEADMM CN(C(=O)C1CCCCC1)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001381672041 1381715642 /nfs/dbraw/zinc/71/56/42/1381715642.db2.gz NOWUOOMWBQKENO-HNNXBMFYSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001384150356 1382823749 /nfs/dbraw/zinc/82/37/49/1382823749.db2.gz UDFSRXNHMGYRMO-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385628568 1385726530 /nfs/dbraw/zinc/72/65/30/1385726530.db2.gz UTPCTNFTBWAYSS-TZMCWYRMSA-N -1 1 333.432 2.190 20 0 EEADMM CCc1ccc(F)cc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001386390960 1386104932 /nfs/dbraw/zinc/10/49/32/1386104932.db2.gz HTGGNJJHGMLXGU-NSHDSACASA-N -1 1 345.374 2.037 20 0 EEADMM CCCC1(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001386611914 1386216969 /nfs/dbraw/zinc/21/69/69/1386216969.db2.gz WOALIZSQIVOFND-CQSZACIVSA-N -1 1 345.443 2.431 20 0 EEADMM CC(C)CC1(C(=O)N2CC(NC(=O)c3ncccc3[O-])C2)CCCC1 ZINC001387716784 1386956556 /nfs/dbraw/zinc/95/65/56/1386956556.db2.gz MJAURFSEDSJFJS-UHFFFAOYSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@@H](CNC(=O)CC1CC1)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001387988736 1387125029 /nfs/dbraw/zinc/12/50/29/1387125029.db2.gz AVSVQWNIRQEHHH-ZDUSSCGKSA-N -1 1 348.447 2.039 20 0 EEADMM CCC[N@@H+](CCNC(=O)c1ncccc1O)Cc1scnc1C ZINC001391125153 1389054591 /nfs/dbraw/zinc/05/45/91/1389054591.db2.gz HZDXYMAAJMQICH-UHFFFAOYSA-N -1 1 334.445 2.194 20 0 EEADMM CCCC(CCC)C(=O)N1CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001393308588 1390401977 /nfs/dbraw/zinc/40/19/77/1390401977.db2.gz QMGFBSHCQLCSEJ-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM Cc1cnc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)c2ncccc2[O-])s1 ZINC001394430214 1390693719 /nfs/dbraw/zinc/69/37/19/1390693719.db2.gz VFZHLBNDLCVLIY-ZDUSSCGKSA-N -1 1 346.456 2.193 20 0 EEADMM C[C@H](CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ncccc1[O-])C1CC1 ZINC001394873678 1390763074 /nfs/dbraw/zinc/76/30/74/1390763074.db2.gz HMWBDBKMGJUWLA-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM CCCc1[nH]ccc1C(=O)N[C@H](CC)CNC(=O)c1ncccc1[O-] ZINC001398935491 1394334256 /nfs/dbraw/zinc/33/42/56/1394334256.db2.gz DMGNYKOLBCRZMZ-GFCCVEGCSA-N -1 1 344.415 2.006 20 0 EEADMM CCCc1nc(CN[C@@H](C)CNC(=O)c2ncccc2[O-])cs1 ZINC001402872406 1398249753 /nfs/dbraw/zinc/24/97/53/1398249753.db2.gz RZEGEFDLKACTIS-NSHDSACASA-N -1 1 334.445 2.104 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2C)c1 ZINC001423957681 1400826706 /nfs/dbraw/zinc/82/67/06/1400826706.db2.gz JOFNLXIKQQUWFO-LBPRGKRZSA-N -1 1 349.408 2.373 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)CCC2CCC2)CCCN1C(=O)c1ncccc1[O-] ZINC001425684860 1401732859 /nfs/dbraw/zinc/73/28/59/1401732859.db2.gz XNFQXDMPZGIKAK-HIFRSBDPSA-N -1 1 345.443 2.477 20 0 EEADMM CN(C(=O)C1(C)CCCC1)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001427413297 1402402736 /nfs/dbraw/zinc/40/27/36/1402402736.db2.gz ROMBEJJYKQXWIH-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H](C)c1ccsc1 ZINC001427517056 1402456961 /nfs/dbraw/zinc/45/69/61/1402456961.db2.gz LSBAAOFSFSSWNQ-NEPJUHHUSA-N -1 1 347.440 2.229 20 0 EEADMM CCCCC(=O)N[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577426317 1403651812 /nfs/dbraw/zinc/65/18/12/1403651812.db2.gz KIXLIXFAFRIDQU-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)N[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577426317 1403651817 /nfs/dbraw/zinc/65/18/17/1403651817.db2.gz KIXLIXFAFRIDQU-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(-c2c[nH]nn2)nc1 ZINC001578024156 1403712179 /nfs/dbraw/zinc/71/21/79/1403712179.db2.gz AEQHBOAPGZFYDV-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM COC(=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)c(-c2nnn[n-]2)n1 ZINC001579483710 1403784294 /nfs/dbraw/zinc/78/42/94/1403784294.db2.gz LQHKPJWGFQPCFO-RISCZKNCSA-N -1 1 336.355 2.016 20 0 EEADMM COC(=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)c(-c2nn[n-]n2)n1 ZINC001579483710 1403784300 /nfs/dbraw/zinc/78/43/00/1403784300.db2.gz LQHKPJWGFQPCFO-RISCZKNCSA-N -1 1 336.355 2.016 20 0 EEADMM COc1ccc2c(c1)CN(C(=O)c1csc(-c3nn[n-]n3)c1)C2 ZINC001580050201 1403815440 /nfs/dbraw/zinc/81/54/40/1403815440.db2.gz LUYKMJYTUPUMQK-UHFFFAOYSA-N -1 1 327.369 2.093 20 0 EEADMM C[S@](=O)(=NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001580152802 1403838049 /nfs/dbraw/zinc/83/80/49/1403838049.db2.gz PPDWYJWRMWTFNL-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM C[S@](=O)(=NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001580152802 1403838055 /nfs/dbraw/zinc/83/80/55/1403838055.db2.gz PPDWYJWRMWTFNL-JOCHJYFZSA-N -1 1 333.398 2.225 20 0 EEADMM CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001580204036 1403847035 /nfs/dbraw/zinc/84/70/35/1403847035.db2.gz GDIHAFKEPHXKQR-RKDXNWHRSA-N -1 1 338.462 2.012 20 0 EEADMM CCOC(=O)[C@H](CC)Sc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001590751293 1403894358 /nfs/dbraw/zinc/89/43/58/1403894358.db2.gz HNRHQQHPWVARGA-YFKPBYRVSA-N -1 1 333.826 2.410 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)CCOCc1ccccc1 ZINC001592494715 1404702785 /nfs/dbraw/zinc/70/27/85/1404702785.db2.gz BTEOWLAHSADEKY-UHFFFAOYSA-N -1 1 341.371 2.057 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)CCOCc1ccccc1 ZINC001592494715 1404702788 /nfs/dbraw/zinc/70/27/88/1404702788.db2.gz BTEOWLAHSADEKY-UHFFFAOYSA-N -1 1 341.371 2.057 20 0 EEADMM Cc1nsc(NCc2cc(C(F)(F)F)on2)c1-c1nn[n-]n1 ZINC001592493286 1404703563 /nfs/dbraw/zinc/70/35/63/1404703563.db2.gz WHVALCALHIABEI-UHFFFAOYSA-N -1 1 331.283 2.251 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001592499581 1404704047 /nfs/dbraw/zinc/70/40/47/1404704047.db2.gz PKIJYCLSOUQKRH-BXKDBHETSA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001592499581 1404704054 /nfs/dbraw/zinc/70/40/54/1404704054.db2.gz PKIJYCLSOUQKRH-BXKDBHETSA-N -1 1 345.309 2.332 20 0 EEADMM O=C(CCc1ccccc1F)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592853852 1404726032 /nfs/dbraw/zinc/72/60/32/1404726032.db2.gz SFFLASLWOKCXOI-UHFFFAOYSA-N -1 1 331.376 2.316 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001593032047 1404738848 /nfs/dbraw/zinc/73/88/48/1404738848.db2.gz LLZANURNGUEVJX-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001593032047 1404738859 /nfs/dbraw/zinc/73/88/59/1404738859.db2.gz LLZANURNGUEVJX-SNVBAGLBSA-N -1 1 336.346 2.207 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC[C@H]1CCCC1(F)F ZINC001606166291 1404770741 /nfs/dbraw/zinc/77/07/41/1404770741.db2.gz AICNNZZWKWVYSE-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC[C@H]1CCCC1(F)F ZINC001606166291 1404770745 /nfs/dbraw/zinc/77/07/45/1404770745.db2.gz AICNNZZWKWVYSE-SECBINFHSA-N -1 1 325.319 2.323 20 0 EEADMM CN1Cc2ccccc2[C@@H](N[C@@H]2CCCn3nc(C(=O)[O-])cc32)C1 ZINC001606260088 1404777833 /nfs/dbraw/zinc/77/78/33/1404777833.db2.gz VVDZXACGRPJGIJ-ZBFHGGJFSA-N -1 1 326.400 2.193 20 0 EEADMM FC1(F)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001606299234 1404782312 /nfs/dbraw/zinc/78/23/12/1404782312.db2.gz AFMNGNDYJXADHC-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM FC1(F)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001606299234 1404782315 /nfs/dbraw/zinc/78/23/15/1404782315.db2.gz AFMNGNDYJXADHC-GWCFXTLKSA-N -1 1 329.314 2.118 20 0 EEADMM Fc1ccc(CC2(CNc3cc(-c4nnn[n-]4)ncn3)CC2)cc1 ZINC001606317844 1404790459 /nfs/dbraw/zinc/79/04/59/1404790459.db2.gz AOZGYKOZFSAJSF-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM Fc1ccc(CC2(CNc3cc(-c4nn[n-]n4)ncn3)CC2)cc1 ZINC001606317844 1404790467 /nfs/dbraw/zinc/79/04/67/1404790467.db2.gz AOZGYKOZFSAJSF-UHFFFAOYSA-N -1 1 325.351 2.231 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc2ccccc2c1 ZINC001721073483 1405734388 /nfs/dbraw/zinc/73/43/88/1405734388.db2.gz QAKYLKXRJVZLGY-UHFFFAOYSA-N -1 1 349.390 2.442 20 0 EEADMM Cc1cocc1C(=O)NCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001756296526 1408298449 /nfs/dbraw/zinc/29/84/49/1408298449.db2.gz RVVQDRXOQHJXTR-GFCCVEGCSA-N -1 1 331.372 2.017 20 0 EEADMM CC/C=C(\C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001756934436 1409525037 /nfs/dbraw/zinc/52/50/37/1409525037.db2.gz AHCZIZZUIDCRJP-KUYFCZACSA-N -1 1 345.443 2.358 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)C1Cc2ccccc2C1 ZINC000431819297 1409846577 /nfs/dbraw/zinc/84/65/77/1409846577.db2.gz 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789045625 /nfs/dbraw/zinc/04/56/25/789045625.db2.gz ISRDQOIKXYOYEV-UHFFFAOYSA-N -1 1 347.362 2.402 20 0 EEADMM CCc1cccc(CN2CCN(CCCCS(=O)(=O)[O-])CC2)c1 ZINC001144326501 789590578 /nfs/dbraw/zinc/59/05/78/789590578.db2.gz CKIMKKSBJGSPDN-UHFFFAOYSA-N -1 1 340.489 2.035 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000921589770 789817132 /nfs/dbraw/zinc/81/71/32/789817132.db2.gz GSMBHDAEHTVBNH-LLVKDONJSA-N -1 1 349.408 2.203 20 0 EEADMM Cc1cccc(Cl)c1CN1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030242419 789865882 /nfs/dbraw/zinc/86/58/82/789865882.db2.gz SJWQFFNZMCTTCU-UHFFFAOYSA-N -1 1 331.803 2.363 20 0 EEADMM Cc1cc(C)c(C(=O)NC2(CNC(=O)c3ncccc3[O-])CCC2)o1 ZINC001062839680 789938878 /nfs/dbraw/zinc/93/88/78/789938878.db2.gz ZYOODPSWVVFHME-UHFFFAOYSA-N -1 1 343.383 2.080 20 0 EEADMM CC(C)c1nccc(N2CC[C@H](N(C)C(=O)c3ncccc3[O-])C2)n1 ZINC001062923743 790019206 /nfs/dbraw/zinc/01/92/06/790019206.db2.gz ZHIMFXNWIZDSDX-ZDUSSCGKSA-N -1 1 341.415 2.052 20 0 EEADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]NC(=O)c1ccccn1 ZINC000046572105 790117248 /nfs/dbraw/zinc/11/72/48/790117248.db2.gz KNQHGCLWRCRPKD-UHFFFAOYSA-N -1 1 328.353 2.181 20 0 EEADMM COC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001144802622 790154096 /nfs/dbraw/zinc/15/40/96/790154096.db2.gz JUMJJAJXIGHBJQ-KGLIPLIRSA-N -1 1 343.383 2.496 20 0 EEADMM Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000171881262 791492584 /nfs/dbraw/zinc/49/25/84/791492584.db2.gz FJMBSZWSRVUPAO-UHFFFAOYSA-N -1 1 340.788 2.254 20 0 EEADMM O=C(Cc1nc([N-]C(=O)c2cc(F)ncc2F)n[nH]1)c1ccccc1 ZINC001146965466 791618293 /nfs/dbraw/zinc/61/82/93/791618293.db2.gz QDKCFAQCBKLITK-UHFFFAOYSA-N -1 1 343.293 2.156 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNc1cnc(F)cn1 ZINC001063936415 791994967 /nfs/dbraw/zinc/99/49/67/791994967.db2.gz AILUDYHKDFRTAH-NWDGAFQWSA-N -1 1 345.378 2.069 20 0 EEADMM Cc1ncc(CO)c(C(=O)N(C)[C@H](C2CCC2)C(F)(F)F)c1[O-] ZINC001147838736 791995903 /nfs/dbraw/zinc/99/59/03/791995903.db2.gz 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2.382 20 0 EEADMM CC[C@@H](CC(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(OC)cc1 ZINC000913743904 794206639 /nfs/dbraw/zinc/20/66/39/794206639.db2.gz QHYCPAWAHQGZBN-ZDUSSCGKSA-N -1 1 343.431 2.498 20 0 EEADMM O=C(c1cccc(OC(F)(F)F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743936 794206948 /nfs/dbraw/zinc/20/69/48/794206948.db2.gz SDJDOARNIFFSSP-UHFFFAOYSA-N -1 1 341.293 2.118 20 0 EEADMM CC1(C)C[C@H](C(=O)N2CCC(c3nn[n-]n3)CC2)c2ccccc2O1 ZINC000913746099 794213418 /nfs/dbraw/zinc/21/34/18/794213418.db2.gz JKIMCBXAPMHPKL-AWEZNQCLSA-N -1 1 341.415 2.251 20 0 EEADMM C[C@H](CCNc1ncnc2ccsc21)NC(=O)c1ncccc1[O-] ZINC001106296262 795360769 /nfs/dbraw/zinc/36/07/69/795360769.db2.gz MEWLHVOUWANBBA-SNVBAGLBSA-N -1 1 343.412 2.412 20 0 EEADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@]12CCOC2=O ZINC000186462924 795809654 /nfs/dbraw/zinc/80/96/54/795809654.db2.gz JLIMATQMWLCKBV-AWEZNQCLSA-N -1 1 340.173 2.076 20 0 EEADMM O=C(NCCCNc1ncnc2c(F)cccc12)c1ncccc1[O-] ZINC001094375767 796183668 /nfs/dbraw/zinc/18/36/68/796183668.db2.gz 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COCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000917736583 798333280 /nfs/dbraw/zinc/33/32/80/798333280.db2.gz UKYDMUCDJIRYME-UHFFFAOYSA-N -1 1 333.365 2.304 20 0 EEADMM Cc1cnc([C@@H](C)N2CCC(NC(=O)c3ncccc3[O-])CC2)o1 ZINC001002663509 798412514 /nfs/dbraw/zinc/41/25/14/798412514.db2.gz IESGESKOVYWSDA-GFCCVEGCSA-N -1 1 330.388 2.039 20 0 EEADMM O=C1CN(c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)CCN1 ZINC001176671604 798522892 /nfs/dbraw/zinc/52/28/92/798522892.db2.gz JNXQMJMXPAONHE-UHFFFAOYSA-N -1 1 337.301 2.489 20 0 EEADMM CCCC(=O)N1CCC[C@H]([C@H]2CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003107395 799225148 /nfs/dbraw/zinc/22/51/48/799225148.db2.gz VGFGHSILXSUYKY-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)(C(=O)Nc1nc(Br)ccc1[O-])c1cnccn1 ZINC001178191460 799329585 /nfs/dbraw/zinc/32/95/85/799329585.db2.gz MBSOJEGQYAQVIG-UHFFFAOYSA-N -1 1 337.177 2.256 20 0 EEADMM CC[C@H](C)CCCCC(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001178785462 799620167 /nfs/dbraw/zinc/62/01/67/799620167.db2.gz 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/nfs/dbraw/zinc/20/17/79/578201779.db2.gz CUJMHMPFVXJCAI-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736404991 578201780 /nfs/dbraw/zinc/20/17/80/578201780.db2.gz CUJMHMPFVXJCAI-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM C[C@@H](CN(C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1)C(=O)[O-] ZINC000736573881 578212365 /nfs/dbraw/zinc/21/23/65/578212365.db2.gz XZYKVLZKYVWPSP-IUCAKERBSA-N -1 1 339.392 2.415 20 0 EEADMM CC1CCN(C(=O)C2CCN(Cc3cc(C(=O)[O-])co3)CC2)CC1 ZINC000736792248 578223831 /nfs/dbraw/zinc/22/38/31/578223831.db2.gz UKSDZIRJOHTLHM-UHFFFAOYSA-N -1 1 334.416 2.448 20 0 EEADMM CN1CCN(c2snc(Cl)c2-c2nnn[n-]2)Cc2ccccc21 ZINC000736866935 578227499 /nfs/dbraw/zinc/22/74/99/578227499.db2.gz IRJASYMZWZQOMR-UHFFFAOYSA-N -1 1 347.835 2.433 20 0 EEADMM CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)Cc2ccccc21 ZINC000736866935 578227500 /nfs/dbraw/zinc/22/75/00/578227500.db2.gz IRJASYMZWZQOMR-UHFFFAOYSA-N -1 1 347.835 2.433 20 0 EEADMM CCC[C@@](C)(NCC(=O)Nc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000736963762 578231509 /nfs/dbraw/zinc/23/15/09/578231509.db2.gz LSYCMUYVDYAPBS-GOSISDBHSA-N -1 1 333.432 2.458 20 0 EEADMM CCOC(=O)c1ccc(NC(=O)CNC2(C(=O)[O-])CCCCC2)cc1 ZINC000737155120 578241104 /nfs/dbraw/zinc/24/11/04/578241104.db2.gz IWYXQMBJWHZOFT-UHFFFAOYSA-N -1 1 348.399 2.179 20 0 EEADMM Cc1c2cc(F)ccc2sc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000737206682 578243561 /nfs/dbraw/zinc/24/35/61/578243561.db2.gz LCYKUKZOUHQIPQ-NSHDSACASA-N -1 1 347.375 2.076 20 0 EEADMM CCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737211181 578243802 /nfs/dbraw/zinc/24/38/02/578243802.db2.gz XMEBYVMXOGHHEM-UHFFFAOYSA-N -1 1 342.398 2.349 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737273155 578247433 /nfs/dbraw/zinc/24/74/33/578247433.db2.gz YFCMSSKRFRPAKV-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737273155 578247434 /nfs/dbraw/zinc/24/74/34/578247434.db2.gz YFCMSSKRFRPAKV-UHFFFAOYSA-N -1 1 349.398 2.423 20 0 EEADMM CN1CCCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000737518980 578262016 /nfs/dbraw/zinc/26/20/16/578262016.db2.gz VHBORUQMJKBRQZ-MRXNPFEDSA-N -1 1 334.416 2.031 20 0 EEADMM CC(C)[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCS1 ZINC000820044264 599096017 /nfs/dbraw/zinc/09/60/17/599096017.db2.gz DZJIUBPCRVCQDF-CYBMUJFWSA-N -1 1 341.444 2.388 20 0 EEADMM CC(C)[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCS1 ZINC000820044264 599096020 /nfs/dbraw/zinc/09/60/20/599096020.db2.gz DZJIUBPCRVCQDF-CYBMUJFWSA-N -1 1 341.444 2.388 20 0 EEADMM COCCn1c(C)c(C)n(CN2CCC[C@H](CC(=O)[O-])C2)c1=S ZINC000818545383 597042310 /nfs/dbraw/zinc/04/23/10/597042310.db2.gz FJKGUCLDOKYHHO-CQSZACIVSA-N -1 1 341.477 2.427 20 0 EEADMM CN1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000820626193 598154158 /nfs/dbraw/zinc/15/41/58/598154158.db2.gz KVZHHKPTQNVSBD-UHFFFAOYSA-N -1 1 339.395 2.389 20 0 EEADMM O=C([O-])CCc1ccc(NC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000378757901 600234424 /nfs/dbraw/zinc/23/44/24/600234424.db2.gz SRCGCHXNILJQST-UHFFFAOYSA-N -1 1 331.416 2.406 20 0 EEADMM C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)N(C)Cc1ccccc1 ZINC000825983209 600952712 /nfs/dbraw/zinc/95/27/12/600952712.db2.gz SOQMOEOEUPRAGY-ZBFHGGJFSA-N -1 1 330.428 2.220 20 0 EEADMM COC[C@](C)(CC(=O)[O-])NCc1nc2cc(Cl)ccc2n1C ZINC000831585689 601133335 /nfs/dbraw/zinc/13/33/35/601133335.db2.gz OKFMWMXCNOZOGN-HNNXBMFYSA-N -1 1 325.796 2.196 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000826054833 601205961 /nfs/dbraw/zinc/20/59/61/601205961.db2.gz QZSYKSJGQDXYBR-NHYWBVRUSA-N -1 1 343.408 2.308 20 0 EEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000833333183 601402928 /nfs/dbraw/zinc/40/29/28/601402928.db2.gz DDAABZBNAHRHMS-UHFFFAOYSA-N -1 1 332.381 2.459 20 0 EEADMM O=C([O-])[C@]1(F)CCN(CCOc2ccc(Br)cc2)C1 ZINC000833174391 601450133 /nfs/dbraw/zinc/45/01/33/601450133.db2.gz FKOWEOXRRUXVML-ZDUSSCGKSA-N -1 1 332.169 2.327 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(=O)[O-] ZINC000111254919 601520524 /nfs/dbraw/zinc/52/05/24/601520524.db2.gz AYQXEEVBWPTPES-SKDRFNHKSA-N -1 1 341.205 2.040 20 0 EEADMM O=C([O-])C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)CCO1 ZINC000833219872 601572473 /nfs/dbraw/zinc/57/24/73/601572473.db2.gz KPTWXKBOTZGKPC-HNNXBMFYSA-N -1 1 342.395 2.344 20 0 EEADMM CC(C)[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000827092143 601822667 /nfs/dbraw/zinc/82/26/67/601822667.db2.gz YBEBZORTFDFIPG-SFHVURJKSA-N -1 1 332.444 2.167 20 0 EEADMM CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCSC[C@H]1CC(=O)[O-] ZINC000829119542 601918622 /nfs/dbraw/zinc/91/86/22/601918622.db2.gz RWKFSHCIYCCQJI-MGPQQGTHSA-N -1 1 328.478 2.058 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)CCC1CCOCC1 ZINC000832914790 601966089 /nfs/dbraw/zinc/96/60/89/601966089.db2.gz FSSPORKDKWKJMP-UHFFFAOYSA-N -1 1 334.416 2.380 20 0 EEADMM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1OC ZINC000831891608 602040753 /nfs/dbraw/zinc/04/07/53/602040753.db2.gz FJUGYFAJOIQWCR-JTQLQIEISA-N -1 1 345.355 2.184 20 0 EEADMM N=C(NOCc1ccc(C(=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000833077852 602160855 /nfs/dbraw/zinc/16/08/55/602160855.db2.gz DXOSKVVUTVODCG-OAHLLOKOSA-N -1 1 328.324 2.223 20 0 EEADMM CCN(C1CCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825395929 607619781 /nfs/dbraw/zinc/61/97/81/607619781.db2.gz YEDNJPDIKXOTTR-UHFFFAOYSA-N -1 1 341.824 2.083 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)c(F)cc1F ZINC000826450719 607635990 /nfs/dbraw/zinc/63/59/90/607635990.db2.gz AFGPUHZSYHYOEZ-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM Cc1c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cnn1C ZINC000832853089 604337620 /nfs/dbraw/zinc/33/76/20/604337620.db2.gz CNPRTJBBNWXHLD-ZDUSSCGKSA-N -1 1 328.416 2.137 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000830814292 604539705 /nfs/dbraw/zinc/53/97/05/604539705.db2.gz AVNJLFRPQQAJMJ-CQSZACIVSA-N -1 1 328.372 2.327 20 0 EEADMM CC(C)C(=O)N1CCCN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000833463965 604592234 /nfs/dbraw/zinc/59/22/34/604592234.db2.gz UUJMXYXYFHEAIT-HNNXBMFYSA-N -1 1 348.443 2.229 20 0 EEADMM C[C@H](Oc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1)C(=O)[O-] ZINC000833544422 604637088 /nfs/dbraw/zinc/63/70/88/604637088.db2.gz XLMSMWDXOVPQLR-ZLKJLUDKSA-N -1 1 347.333 2.426 20 0 EEADMM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000315856988 604700515 /nfs/dbraw/zinc/70/05/15/604700515.db2.gz ONXAPNDBEXVPKF-UHFFFAOYSA-N -1 1 342.354 2.464 20 0 EEADMM CC(C)C[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC000833477033 604944416 /nfs/dbraw/zinc/94/44/16/604944416.db2.gz BDNBZBVTPVGXKW-OAHLLOKOSA-N -1 1 336.407 2.410 20 0 EEADMM O=C([O-])[C@@H](NCc1ccc(N2CCCCC2)nc1)c1cccnc1 ZINC000833164521 604993695 /nfs/dbraw/zinc/99/36/95/604993695.db2.gz AJJSPVIJBQHTMS-KRWDZBQOSA-N -1 1 326.400 2.382 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCC(C)(C)C ZINC000833623415 605049541 /nfs/dbraw/zinc/04/95/41/605049541.db2.gz HNOWUCCXHFFCHI-AWEZNQCLSA-N -1 1 327.469 2.393 20 0 EEADMM CCN1C[C@@H](CN(C)Cc2ccc(C(=O)[O-])[nH]2)Oc2ccccc21 ZINC000833656578 605102275 /nfs/dbraw/zinc/10/22/75/605102275.db2.gz JYXAEWZZKAZXJE-CQSZACIVSA-N -1 1 329.400 2.432 20 0 EEADMM CC(C)C[C@H](NC(=O)CNC(C)(C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833479325 605170461 /nfs/dbraw/zinc/17/04/61/605170461.db2.gz YNMKIAVHVDQGLT-AWEZNQCLSA-N -1 1 342.386 2.405 20 0 EEADMM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833451994 605266398 /nfs/dbraw/zinc/26/63/98/605266398.db2.gz VTBULCFHEYFDEB-GFCCVEGCSA-N -1 1 334.420 2.279 20 0 EEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820643545 606104179 /nfs/dbraw/zinc/10/41/79/606104179.db2.gz XAKKIANJURBKDS-UKRRQHHQSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820643545 606104181 /nfs/dbraw/zinc/10/41/81/606104181.db2.gz XAKKIANJURBKDS-UKRRQHHQSA-N -1 1 348.410 2.355 20 0 EEADMM O=C(OC[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823400380 606136112 /nfs/dbraw/zinc/13/61/12/606136112.db2.gz CALPXBHEWWRCED-LBPRGKRZSA-N -1 1 342.380 2.399 20 0 EEADMM O=C(OC[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823400380 606136113 /nfs/dbraw/zinc/13/61/13/606136113.db2.gz CALPXBHEWWRCED-LBPRGKRZSA-N -1 1 342.380 2.399 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822352410 606139536 /nfs/dbraw/zinc/13/95/36/606139536.db2.gz ZAQBUTBQKOJTES-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM Cc1ccccc1[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822352410 606139537 /nfs/dbraw/zinc/13/95/37/606139537.db2.gz ZAQBUTBQKOJTES-LBPRGKRZSA-N -1 1 330.779 2.369 20 0 EEADMM CC(C)CC(CC(C)C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820056820 606172483 /nfs/dbraw/zinc/17/24/83/606172483.db2.gz SVDGVOLSKSIVQZ-UHFFFAOYSA-N -1 1 334.428 2.183 20 0 EEADMM CC(C)CC(CC(C)C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820056820 606172484 /nfs/dbraw/zinc/17/24/84/606172484.db2.gz SVDGVOLSKSIVQZ-UHFFFAOYSA-N -1 1 334.428 2.183 20 0 EEADMM C[C@@]1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000820623789 606242916 /nfs/dbraw/zinc/24/29/16/606242916.db2.gz YPGSRXKVVRVNOD-MADCSZMMSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@@]1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000820623789 606242917 /nfs/dbraw/zinc/24/29/17/606242917.db2.gz YPGSRXKVVRVNOD-MADCSZMMSA-N -1 1 328.829 2.330 20 0 EEADMM O=C(COc1cccc(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823043903 606296518 /nfs/dbraw/zinc/29/65/18/606296518.db2.gz LNLBJMKQBAAONX-UHFFFAOYSA-N -1 1 345.746 2.243 20 0 EEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)s1)c1nc(C(C)(C)C)no1 ZINC000820433056 606423365 /nfs/dbraw/zinc/42/33/65/606423365.db2.gz VOZDAIXMOFBSQC-MRVPVSSYSA-N -1 1 333.421 2.460 20 0 EEADMM Clc1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)nc1-c1nnn[n-]1 ZINC000822578050 606457658 /nfs/dbraw/zinc/45/76/58/606457658.db2.gz AXDIQXWSEMNUOV-JTQLQIEISA-N -1 1 346.782 2.034 20 0 EEADMM Clc1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)nc1-c1nn[n-]n1 ZINC000822578050 606457659 /nfs/dbraw/zinc/45/76/59/606457659.db2.gz AXDIQXWSEMNUOV-JTQLQIEISA-N -1 1 346.782 2.034 20 0 EEADMM Cc1ccc(OC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822262504 606536658 /nfs/dbraw/zinc/53/66/58/606536658.db2.gz AHMGKKWWVVLVAL-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccc(OC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822262504 606536660 /nfs/dbraw/zinc/53/66/60/606536660.db2.gz AHMGKKWWVVLVAL-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820635243 606572296 /nfs/dbraw/zinc/57/22/96/606572296.db2.gz KXLIHRFPJSJDDT-XJKSGUPXSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820635243 606572298 /nfs/dbraw/zinc/57/22/98/606572298.db2.gz KXLIHRFPJSJDDT-XJKSGUPXSA-N -1 1 325.397 2.388 20 0 EEADMM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820252836 606573837 /nfs/dbraw/zinc/57/38/37/606573837.db2.gz FCDVRLDFXADKSM-JTQLQIEISA-N -1 1 330.417 2.018 20 0 EEADMM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820252836 606573839 /nfs/dbraw/zinc/57/38/39/606573839.db2.gz FCDVRLDFXADKSM-JTQLQIEISA-N -1 1 330.417 2.018 20 0 EEADMM Clc1nsc(NC[C@@H]2CSCCS2)c1-c1nnn[n-]1 ZINC000822591585 606637500 /nfs/dbraw/zinc/63/75/00/606637500.db2.gz WEQOKKLGDDOISX-RXMQYKEDSA-N -1 1 334.883 2.237 20 0 EEADMM Clc1nsc(NC[C@@H]2CSCCS2)c1-c1nn[n-]n1 ZINC000822591585 606637501 /nfs/dbraw/zinc/63/75/01/606637501.db2.gz WEQOKKLGDDOISX-RXMQYKEDSA-N -1 1 334.883 2.237 20 0 EEADMM O=C(Cc1cc2ccccc2o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074202 606647552 /nfs/dbraw/zinc/64/75/52/606647552.db2.gz MNBQFJKQKQECBG-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(Cc1cc2ccccc2o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074202 606647553 /nfs/dbraw/zinc/64/75/53/606647553.db2.gz MNBQFJKQKQECBG-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(OC(F)F)c1 ZINC000823436177 606649041 /nfs/dbraw/zinc/64/90/41/606649041.db2.gz LALFJMBIMWVWPV-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(OC(F)F)c1 ZINC000823436177 606649042 /nfs/dbraw/zinc/64/90/42/606649042.db2.gz LALFJMBIMWVWPV-UHFFFAOYSA-N -1 1 347.281 2.220 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820939781 606761957 /nfs/dbraw/zinc/76/19/57/606761957.db2.gz YBQDDIXRVMATLC-HNNXBMFYSA-N -1 1 345.403 2.433 20 0 EEADMM CC[C@H](OC1CCCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820939781 606761959 /nfs/dbraw/zinc/76/19/59/606761959.db2.gz YBQDDIXRVMATLC-HNNXBMFYSA-N -1 1 345.403 2.433 20 0 EEADMM O=C(CCCOc1ccccc1F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958905 607109015 /nfs/dbraw/zinc/10/90/15/607109015.db2.gz MPKCRFCGNXJFIX-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM O=C(CCCOc1ccccc1F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958905 607109017 /nfs/dbraw/zinc/10/90/17/607109017.db2.gz MPKCRFCGNXJFIX-UHFFFAOYSA-N -1 1 348.363 2.260 20 0 EEADMM Cn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1cccs1 ZINC000826356156 607895689 /nfs/dbraw/zinc/89/56/89/607895689.db2.gz CYVVYRZYVOWUDT-UHFFFAOYSA-N -1 1 342.413 2.270 20 0 EEADMM Cn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1cccs1 ZINC000826356156 607895690 /nfs/dbraw/zinc/89/56/90/607895690.db2.gz CYVVYRZYVOWUDT-UHFFFAOYSA-N -1 1 342.413 2.270 20 0 EEADMM c1coc(CN(C[C@H]2CCCO2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826513971 607902428 /nfs/dbraw/zinc/90/24/28/607902428.db2.gz CJNXARVMOAOZDR-CYBMUJFWSA-N -1 1 326.360 2.040 20 0 EEADMM c1coc(CN(C[C@H]2CCCO2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826513971 607902429 /nfs/dbraw/zinc/90/24/29/607902429.db2.gz CJNXARVMOAOZDR-CYBMUJFWSA-N -1 1 326.360 2.040 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3ccc(-c4nnn[n-]4)nn3)ccc12 ZINC000825694597 607987760 /nfs/dbraw/zinc/98/77/60/607987760.db2.gz VNMWQNGYEIKACJ-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3ccc(-c4nn[n-]n4)nn3)ccc12 ZINC000825694597 607987761 /nfs/dbraw/zinc/98/77/61/607987761.db2.gz VNMWQNGYEIKACJ-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(-n2ccnc2)c1 ZINC000824658286 607990908 /nfs/dbraw/zinc/99/09/08/607990908.db2.gz VLJFQDGCXPONGH-NSHDSACASA-N -1 1 333.359 2.016 20 0 EEADMM Cc1noc(C(C)C)c1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826338323 607997383 /nfs/dbraw/zinc/99/73/83/607997383.db2.gz RRZQNTZLZPUYRI-UHFFFAOYSA-N -1 1 328.332 2.244 20 0 EEADMM Clc1ccc(-c2cc(Cn3ccnc3-c3nnn[n-]3)on2)cc1 ZINC000826351329 608014391 /nfs/dbraw/zinc/01/43/91/608014391.db2.gz IKVUEZDBUMPXLS-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1ccc(-c2cc(Cn3ccnc3-c3nn[n-]n3)on2)cc1 ZINC000826351329 608014392 /nfs/dbraw/zinc/01/43/92/608014392.db2.gz IKVUEZDBUMPXLS-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Fc1ccccc1N1CCC[C@H](Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC000826378293 608098853 /nfs/dbraw/zinc/09/88/53/608098853.db2.gz CUFQARSONGVBPU-LBPRGKRZSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1ccccc1N1CCC[C@H](Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC000826378293 608098854 /nfs/dbraw/zinc/09/88/54/608098854.db2.gz CUFQARSONGVBPU-LBPRGKRZSA-N -1 1 339.378 2.482 20 0 EEADMM CCN(C(=O)Cn1ccnc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000825377159 608148000 /nfs/dbraw/zinc/14/80/00/608148000.db2.gz VLMXPDVJBKAVAF-UHFFFAOYSA-N -1 1 347.382 2.270 20 0 EEADMM CCN(C(=O)Cn1ccnc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000825377159 608148003 /nfs/dbraw/zinc/14/80/03/608148003.db2.gz VLMXPDVJBKAVAF-UHFFFAOYSA-N -1 1 347.382 2.270 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826508300 608185120 /nfs/dbraw/zinc/18/51/20/608185120.db2.gz LPAZQZHWBXYABA-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826508300 608185121 /nfs/dbraw/zinc/18/51/21/608185121.db2.gz LPAZQZHWBXYABA-MRVPVSSYSA-N -1 1 340.771 2.261 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cn2)cc1 ZINC000826522883 608409309 /nfs/dbraw/zinc/40/93/09/608409309.db2.gz SBCFDDRMTZWZNJ-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM c1ccc(Oc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cn2)cc1 ZINC000826522883 608409312 /nfs/dbraw/zinc/40/93/12/608409312.db2.gz SBCFDDRMTZWZNJ-UHFFFAOYSA-N -1 1 346.354 2.456 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCCCC2 ZINC000825582408 608424722 /nfs/dbraw/zinc/42/47/22/608424722.db2.gz KSVVQSSJKGWMAR-CHWSQXEVSA-N -1 1 329.408 2.197 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCCCC2 ZINC000825582408 608424724 /nfs/dbraw/zinc/42/47/24/608424724.db2.gz KSVVQSSJKGWMAR-CHWSQXEVSA-N -1 1 329.408 2.197 20 0 EEADMM COc1ccc(OCCN(C)c2nc(-c3nn[n-]n3)ccc2C)cc1 ZINC000826211843 608541141 /nfs/dbraw/zinc/54/11/41/608541141.db2.gz WXUKPSCOODAFAG-UHFFFAOYSA-N -1 1 340.387 2.094 20 0 EEADMM Cc1nc2ccccc2n1CCNc1nc(-c2nn[n-]n2)ccc1C ZINC000826280708 608543054 /nfs/dbraw/zinc/54/30/54/608543054.db2.gz MTFUINRZRCHESU-UHFFFAOYSA-N -1 1 334.387 2.340 20 0 EEADMM FC(F)(F)c1ccc2oc(Cn3ccnc3-c3nnn[n-]3)nc2c1 ZINC000826369132 608890764 /nfs/dbraw/zinc/89/07/64/608890764.db2.gz OKRIGJCTAPYPBO-UHFFFAOYSA-N -1 1 335.249 2.272 20 0 EEADMM FC(F)(F)c1ccc2oc(Cn3ccnc3-c3nn[n-]n3)nc2c1 ZINC000826369132 608890767 /nfs/dbraw/zinc/89/07/67/608890767.db2.gz OKRIGJCTAPYPBO-UHFFFAOYSA-N -1 1 335.249 2.272 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN([C@H](C)c3cccc(F)c3)C2)c1[O-] ZINC000969500554 675075305 /nfs/dbraw/zinc/07/53/05/675075305.db2.gz QYUCTTZWEOHTMW-CMPLNLGQSA-N -1 1 346.406 2.374 20 0 EEADMM CCc1nc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)cs1 ZINC000969545928 675100675 /nfs/dbraw/zinc/10/06/75/675100675.db2.gz GYFWZAXULJALRK-LLVKDONJSA-N -1 1 346.456 2.056 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1ccc(F)cc1F)c1ncccc1[O-] ZINC001038194659 676091284 /nfs/dbraw/zinc/09/12/84/676091284.db2.gz QBBBARXQTSCPFO-ZDUSSCGKSA-N -1 1 333.338 2.070 20 0 EEADMM COC(=O)C1(CCCCNC(=O)C(=O)c2ccc([O-])cc2)CCC1 ZINC000891155570 676110422 /nfs/dbraw/zinc/11/04/22/676110422.db2.gz VPATYHMJRHKRCU-UHFFFAOYSA-N -1 1 333.384 2.205 20 0 EEADMM N#Cc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000073854533 675232675 /nfs/dbraw/zinc/23/26/75/675232675.db2.gz LRHHYGPRQBXRFJ-UHFFFAOYSA-N -1 1 326.333 2.465 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H]1C)C1CCCC1 ZINC001020606993 675255934 /nfs/dbraw/zinc/25/59/34/675255934.db2.gz LMYIEWFHNSIIKG-IPYPFGDCSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000891612602 676722562 /nfs/dbraw/zinc/72/25/62/676722562.db2.gz CTIZMSAWPNAMCB-HUUCEWRRSA-N -1 1 339.395 2.430 20 0 EEADMM Cc1cccnc1C(F)(F)C(=O)[N-]c1nc2c(c(=O)[nH]1)CCCC2 ZINC000891618880 676726760 /nfs/dbraw/zinc/72/67/60/676726760.db2.gz UFLNHOBOLUWXQG-UHFFFAOYSA-N -1 1 334.326 2.495 20 0 EEADMM Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891624021 676733519 /nfs/dbraw/zinc/73/35/19/676733519.db2.gz OKXUFJXLOLSNPP-UHFFFAOYSA-N -1 1 329.404 2.344 20 0 EEADMM Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)C[C@@H]1C ZINC000947229019 677730306 /nfs/dbraw/zinc/73/03/06/677730306.db2.gz AGULPSNCUNMIDE-GJZGRUSLSA-N -1 1 340.427 2.274 20 0 EEADMM CCC1(C(=O)N2CC[C@@H]3CN(C(=O)c4ncccc4[O-])[C@@H]3C2)CCC1 ZINC000971902245 677794980 /nfs/dbraw/zinc/79/49/80/677794980.db2.gz JQPACKFAXRQJIX-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM CCc1ccc(C(=O)Nc2sccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000135464324 677947439 /nfs/dbraw/zinc/94/74/39/677947439.db2.gz DUWSRKFSEYRKIR-UHFFFAOYSA-N -1 1 342.384 2.328 20 0 EEADMM CCc1ccc(C(=O)Nc2sccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000135464324 677947442 /nfs/dbraw/zinc/94/74/42/677947442.db2.gz DUWSRKFSEYRKIR-UHFFFAOYSA-N -1 1 342.384 2.328 20 0 EEADMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2F)[C@H]2CCCO[C@@H]21 ZINC000866872962 677966474 /nfs/dbraw/zinc/96/64/74/677966474.db2.gz IAXWDTJXVWXQIV-FXAINCCUSA-N -1 1 348.827 2.356 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1[O-] ZINC001023307149 679244269 /nfs/dbraw/zinc/24/42/69/679244269.db2.gz SWAOHWSXTYKKQZ-AWEZNQCLSA-N -1 1 346.406 2.205 20 0 EEADMM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ncn(C)c2Cl)C1(C)C ZINC000176906881 679599197 /nfs/dbraw/zinc/59/91/97/679599197.db2.gz UANPSZQOJDLYNW-WDEREUQCSA-N -1 1 349.884 2.336 20 0 EEADMM Cc1noc(C)c1CN1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001024408294 679892294 /nfs/dbraw/zinc/89/22/94/679892294.db2.gz ZOPIWDWVOZRDDX-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000909536594 685334531 /nfs/dbraw/zinc/33/45/31/685334531.db2.gz QLSFTPYCTSSRNG-LSDHHAIUSA-N -1 1 341.411 2.107 20 0 EEADMM CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1c([O-])cccc1Cl ZINC000924878250 681648757 /nfs/dbraw/zinc/64/87/57/681648757.db2.gz WHESOYQEYGEFAK-PWSUYJOCSA-N -1 1 341.791 2.276 20 0 EEADMM CN(C(=O)CC1CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937211051 681681501 /nfs/dbraw/zinc/68/15/01/681681501.db2.gz HOAYURSIHYPELQ-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)(C)C(C)(C)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025041912 681820046 /nfs/dbraw/zinc/82/00/46/681820046.db2.gz PGGOUNWFNHZHJH-GFCCVEGCSA-N -1 1 337.468 2.053 20 0 EEADMM C[C@H](CC1CCCC1)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000936196805 682410918 /nfs/dbraw/zinc/41/09/18/682410918.db2.gz UXKVWLBFZIIOGI-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)co1 ZINC000983577640 682886024 /nfs/dbraw/zinc/88/60/24/682886024.db2.gz PJNUWQCQGUWJDB-KGLIPLIRSA-N -1 1 343.383 2.160 20 0 EEADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000909413752 683214862 /nfs/dbraw/zinc/21/48/62/683214862.db2.gz JSZMXLROBOUQJB-FHSNZYRGSA-N -1 1 348.418 2.362 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)s1 ZINC000914199661 683354553 /nfs/dbraw/zinc/35/45/53/683354553.db2.gz NPQLGIAXDVHNGY-UHFFFAOYSA-N -1 1 348.396 2.471 20 0 EEADMM COCc1nc(N[C@@H]2CCN(C(C)=O)c3ccccc32)cc(=O)[n-]1 ZINC000892998964 683513834 /nfs/dbraw/zinc/51/38/34/683513834.db2.gz RRJSGIXXMJHPSR-CYBMUJFWSA-N -1 1 328.372 2.238 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000983814579 683555452 /nfs/dbraw/zinc/55/54/52/683555452.db2.gz FDZORGXNBZBIRJ-OAHLLOKOSA-N -1 1 345.443 2.431 20 0 EEADMM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1nc[nH]c1Br ZINC000866880758 683645497 /nfs/dbraw/zinc/64/54/97/683645497.db2.gz TUCBLRLRVZMVML-IVZWLZJFSA-N -1 1 348.266 2.419 20 0 EEADMM COC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000180393360 684015086 /nfs/dbraw/zinc/01/50/86/684015086.db2.gz ZOQDVQIWHUZBOE-UHFFFAOYSA-N -1 1 334.781 2.096 20 0 EEADMM CC(C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC000978743753 693865597 /nfs/dbraw/zinc/86/55/97/693865597.db2.gz RWVHTKGQMUGMPD-OTVXOJSOSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(C[C@@H]1CCC2(CCC2)CO1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000895836649 684743943 /nfs/dbraw/zinc/74/39/43/684743943.db2.gz CZTZTBFYNCGHRH-GOEBONIOSA-N -1 1 341.415 2.145 20 0 EEADMM COc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1OC ZINC000899930322 693927970 /nfs/dbraw/zinc/92/79/70/693927970.db2.gz ASHUCOWPCBTFHP-UHFFFAOYSA-N -1 1 329.356 2.007 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccco1 ZINC000866905074 685989751 /nfs/dbraw/zinc/98/97/51/685989751.db2.gz MAJPANGYVNTVHB-MWLCHTKSSA-N -1 1 342.244 2.470 20 0 EEADMM Cc1nc(-c2ccc(N3CCC[C@@H]3C3OCCO3)nc2)[n-]c(=O)c1C ZINC000897005555 686039166 /nfs/dbraw/zinc/03/91/66/686039166.db2.gz BBDRDRGUUUEFQV-CQSZACIVSA-N -1 1 342.399 2.203 20 0 EEADMM CCC(=O)N1CCC[C@@H](N(C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001027259372 686996147 /nfs/dbraw/zinc/99/61/47/686996147.db2.gz KHAULBCOIADMDP-LLVKDONJSA-N -1 1 334.445 2.230 20 0 EEADMM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985504409 687070285 /nfs/dbraw/zinc/07/02/85/687070285.db2.gz AGVLJESSAWACFN-HIFRSBDPSA-N -1 1 349.479 2.150 20 0 EEADMM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC(N(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC000985504409 687070287 /nfs/dbraw/zinc/07/02/87/687070287.db2.gz AGVLJESSAWACFN-HIFRSBDPSA-N -1 1 349.479 2.150 20 0 EEADMM CC(C)c1cc(N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)ncn1 ZINC001059614160 687402388 /nfs/dbraw/zinc/40/23/88/687402388.db2.gz STXZDWLRTCRXMD-TXEJJXNPSA-N -1 1 327.388 2.074 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CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2[nH]ccc2c1 ZINC001609220331 1351898881 /nfs/dbraw/zinc/89/88/81/1351898881.db2.gz QGKRTKXPLBSYOU-UHFFFAOYSA-N -1 1 333.355 2.410 20 0 EEADMM CCn1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1=O ZINC001609258412 1351913300 /nfs/dbraw/zinc/91/33/00/1351913300.db2.gz HMGPUYSCUNDGTQ-UHFFFAOYSA-N -1 1 347.382 2.209 20 0 EEADMM CCn1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1=O ZINC001609258412 1351913303 /nfs/dbraw/zinc/91/33/03/1351913303.db2.gz HMGPUYSCUNDGTQ-UHFFFAOYSA-N -1 1 347.382 2.209 20 0 EEADMM COC(=O)c1oc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001609307326 1351926233 /nfs/dbraw/zinc/92/62/33/1351926233.db2.gz WUZSKURPKIPAKW-MRVPVSSYSA-N -1 1 346.299 2.066 20 0 EEADMM CO[C@]1(C)C[C@H](N(C)C(=O)c2csc(-c3nn[n-]n3)c2)C1(C)C ZINC001609312521 1351929123 /nfs/dbraw/zinc/92/91/23/1351929123.db2.gz HOBKDLQANFZXSO-XHDPSFHLSA-N -1 1 335.433 2.204 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCCCc2nc(C)cs2)c1 ZINC001330363512 1334829946 /nfs/dbraw/zinc/82/99/46/1334829946.db2.gz HOEUEHILXZMRAO-UHFFFAOYSA-N -1 1 342.442 2.077 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c1-c1nn[n-]n1 ZINC001609397552 1351960160 /nfs/dbraw/zinc/96/01/60/1351960160.db2.gz ILTHWFGKGGIJCK-UHFFFAOYSA-N -1 1 336.359 2.249 20 0 EEADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCCOc1ccc(F)cc1 ZINC001331183274 1334977053 /nfs/dbraw/zinc/97/70/53/1334977053.db2.gz DKBDOQKKAPPWMG-UHFFFAOYSA-N -1 1 327.352 2.374 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(C)c(-n3cccc3)c2)c1-c1nn[n-]n1 ZINC001609419637 1351968842 /nfs/dbraw/zinc/96/88/42/1351968842.db2.gz SOTKIWASSJBWAY-UHFFFAOYSA-N -1 1 348.370 2.250 20 0 EEADMM Cc1ccccc1O[C@@H](C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609437259 1351977287 /nfs/dbraw/zinc/97/72/87/1351977287.db2.gz URVYLAFEZNWPQS-NSHDSACASA-N -1 1 343.412 2.434 20 0 EEADMM Cc1cccc(OC[C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001609433477 1351974151 /nfs/dbraw/zinc/97/41/51/1351974151.db2.gz GVZPCBBCGWVVPG-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1cccc(OC[C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001609433477 1351974156 /nfs/dbraw/zinc/97/41/56/1351974156.db2.gz GVZPCBBCGWVVPG-GFCCVEGCSA-N -1 1 325.376 2.153 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC001609467981 1351988374 /nfs/dbraw/zinc/98/83/74/1351988374.db2.gz CLQAPLYPILWXSB-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC001609467981 1351988377 /nfs/dbraw/zinc/98/83/77/1351988377.db2.gz CLQAPLYPILWXSB-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001609468287 1351989520 /nfs/dbraw/zinc/98/95/20/1351989520.db2.gz NSOUWMMHYWOAFT-UHFFFAOYSA-N -1 1 344.278 2.496 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ncc(C(F)(F)F)s1 ZINC001609468287 1351989521 /nfs/dbraw/zinc/98/95/21/1351989521.db2.gz NSOUWMMHYWOAFT-UHFFFAOYSA-N -1 1 344.278 2.496 20 0 EEADMM Clc1nc(NCCc2cnc(C3CC3)nc2)sc1-c1nnn[n-]1 ZINC001609474693 1351991612 /nfs/dbraw/zinc/99/16/12/1351991612.db2.gz NWHFSCSNAKOSIC-UHFFFAOYSA-N -1 1 348.823 2.299 20 0 EEADMM Clc1nc(NCCc2cnc(C3CC3)nc2)sc1-c1nn[n-]n1 ZINC001609474693 1351991613 /nfs/dbraw/zinc/99/16/13/1351991613.db2.gz NWHFSCSNAKOSIC-UHFFFAOYSA-N -1 1 348.823 2.299 20 0 EEADMM O=C(CSCc1ccnc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC001609534429 1352007928 /nfs/dbraw/zinc/00/79/28/1352007928.db2.gz OZPOGJHMXSVCQJ-UHFFFAOYSA-N -1 1 341.396 2.238 20 0 EEADMM O=C(CSCc1ccnc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC001609534429 1352007930 /nfs/dbraw/zinc/00/79/30/1352007930.db2.gz OZPOGJHMXSVCQJ-UHFFFAOYSA-N -1 1 341.396 2.238 20 0 EEADMM O=C(Oc1ccc(OCC2CC2)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609579252 1352024181 /nfs/dbraw/zinc/02/41/81/1352024181.db2.gz KZELVSBLDQZRJF-UHFFFAOYSA-N -1 1 337.339 2.270 20 0 EEADMM O=C(Oc1ccc(OCC2CC2)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609579252 1352024186 /nfs/dbraw/zinc/02/41/86/1352024186.db2.gz KZELVSBLDQZRJF-UHFFFAOYSA-N -1 1 337.339 2.270 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC001609577719 1352024268 /nfs/dbraw/zinc/02/42/68/1352024268.db2.gz SQPBHYCKOSIRBO-OAHLLOKOSA-N -1 1 335.367 2.499 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC001609577719 1352024276 /nfs/dbraw/zinc/02/42/76/1352024276.db2.gz SQPBHYCKOSIRBO-OAHLLOKOSA-N -1 1 335.367 2.499 20 0 EEADMM CC(C)(C)N1CC[C@](F)(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC001609657761 1352052013 /nfs/dbraw/zinc/05/20/13/1352052013.db2.gz GATPQTBFQYBDGO-OAHLLOKOSA-N -1 1 343.424 2.311 20 0 EEADMM Cc1csc(CCC[N-]S(=O)(=O)c2ccc(F)nc2F)n1 ZINC001335527585 1336390178 /nfs/dbraw/zinc/39/01/78/1336390178.db2.gz CVCXTGXGSAMTFA-UHFFFAOYSA-N -1 1 333.385 2.036 20 0 EEADMM O=C([O-])CC1(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC001335817135 1336431098 /nfs/dbraw/zinc/43/10/98/1336431098.db2.gz HHCLRTJSXQRBSF-UHFFFAOYSA-N -1 1 339.747 2.151 20 0 EEADMM CC(C)O[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001609709539 1352064597 /nfs/dbraw/zinc/06/45/97/1352064597.db2.gz RGQLXGIDILHJCX-PBHICJAKSA-N -1 1 348.443 2.279 20 0 EEADMM CC(C)O[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001609709541 1352064960 /nfs/dbraw/zinc/06/49/60/1352064960.db2.gz RGQLXGIDILHJCX-WMLDXEAASA-N -1 1 348.443 2.279 20 0 EEADMM CC(C)[C@@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])N(C)C ZINC001609715627 1352067094 /nfs/dbraw/zinc/06/70/94/1352067094.db2.gz LVFDSXAGHYUSDK-KBPBESRZSA-N -1 1 327.808 2.465 20 0 EEADMM C[C@H]1CN(C(=O)Cc2cccc3ccccc32)CCN1CCC(=O)[O-] ZINC001609863840 1352105659 /nfs/dbraw/zinc/10/56/59/1352105659.db2.gz GJNULIFQMBHHGN-HNNXBMFYSA-N -1 1 340.423 2.390 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Nc1nc2ccccc2s1 ZINC001609869460 1352107711 /nfs/dbraw/zinc/10/77/11/1352107711.db2.gz DQESGKAKENHFLE-LLVKDONJSA-N -1 1 348.428 2.309 20 0 EEADMM CC[C@H](C)N1CCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001609907179 1352117060 /nfs/dbraw/zinc/11/70/60/1352117060.db2.gz ADZKJYKBUQSCSP-ZDUSSCGKSA-N -1 1 349.431 2.479 20 0 EEADMM Cn1ncc2cc(S(=O)(=O)[N-]c3ccc4ncsc4c3)cnc21 ZINC001342989711 1337325744 /nfs/dbraw/zinc/32/57/44/1337325744.db2.gz HTDINZLFIXZHLP-UHFFFAOYSA-N -1 1 345.409 2.379 20 0 EEADMM CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C[C@H]1C ZINC001610005446 1352138773 /nfs/dbraw/zinc/13/87/73/1352138773.db2.gz GXMFTTNTKBPFFE-GFCCVEGCSA-N -1 1 334.420 2.009 20 0 EEADMM O=C(c1ccc(-c2ccccc2F)o1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347975136 1337529148 /nfs/dbraw/zinc/52/91/48/1337529148.db2.gz QRXYMYLSGARNGI-JTQLQIEISA-N -1 1 327.319 2.229 20 0 EEADMM Cc1cccc(N2CCN(C(=O)c3c(C)[nH]c(=O)[n-]c3=S)CC2)c1 ZINC001350841322 1337760219 /nfs/dbraw/zinc/76/02/19/1337760219.db2.gz FEYQDFLONPETPI-UHFFFAOYSA-N -1 1 344.440 2.050 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCC2 ZINC001351658126 1337834483 /nfs/dbraw/zinc/83/44/83/1337834483.db2.gz WFMBUEZPYOOFNO-MNOVXSKESA-N -1 1 337.445 2.199 20 0 EEADMM CN1CCN(C(=O)c2cc(Cl)c(F)cc2Cl)C[C@@H](C(=O)[O-])C1 ZINC001610137500 1352171161 /nfs/dbraw/zinc/17/11/61/1352171161.db2.gz WUAFLBHXVUSPSK-QMMMGPOBSA-N -1 1 349.189 2.221 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1nc(C(F)(F)F)cs1 ZINC001100071040 1337978364 /nfs/dbraw/zinc/97/83/64/1337978364.db2.gz PDIMHXLXXDJJAF-UHFFFAOYSA-N -1 1 346.334 2.129 20 0 EEADMM CC(C)CO[C@H](C)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848341781 1338683274 /nfs/dbraw/zinc/68/32/74/1338683274.db2.gz WHZDMRKGOOLOKR-IJLUTSLNSA-N -1 1 338.370 2.106 20 0 EEADMM Cc1cc(C)cc(CN(C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610454412 1352224986 /nfs/dbraw/zinc/22/49/86/1352224986.db2.gz KECYCFVGFPFWTC-OAHLLOKOSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)NCC(C)(C)C(=O)[O-])CC2)cc1 ZINC001610501124 1352234298 /nfs/dbraw/zinc/23/42/98/1352234298.db2.gz XSJJGJMPRLJVGE-UHFFFAOYSA-N -1 1 347.459 2.323 20 0 EEADMM CCc1ncoc1C(=O)[N-]c1n[nH]c(-c2ccc(OC)cc2OC)n1 ZINC001358372539 1339042234 /nfs/dbraw/zinc/04/22/34/1339042234.db2.gz KWGVMNGGLXAHBJ-UHFFFAOYSA-N -1 1 343.343 2.292 20 0 EEADMM Cc1ccnc(OC2CCN(Cc3cc(C(=O)[O-])n(C)c3)CC2)c1 ZINC001610535834 1352240796 /nfs/dbraw/zinc/24/07/96/1352240796.db2.gz CSFZIOWIJJEQHC-UHFFFAOYSA-N -1 1 329.400 2.470 20 0 EEADMM NC(=O)NC1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001610638204 1352256654 /nfs/dbraw/zinc/25/66/54/1352256654.db2.gz JAETTYQXACZPAR-LBPRGKRZSA-N -1 1 346.214 2.252 20 0 EEADMM O=C([O-])[C@H](CF)NCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC001610717222 1352264129 /nfs/dbraw/zinc/26/41/29/1352264129.db2.gz QXGPCHASLLYEQE-INIZCTEOSA-N -1 1 340.358 2.447 20 0 EEADMM O=C([O-])c1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cn1 ZINC001610821307 1352280663 /nfs/dbraw/zinc/28/06/63/1352280663.db2.gz AELLWTUPTZTQDS-OAHLLOKOSA-N -1 1 345.786 2.220 20 0 EEADMM CC[C@@H](CC(C)C)C(=O)N1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001429478932 1339920879 /nfs/dbraw/zinc/92/08/79/1339920879.db2.gz RUIDHOYPRNWZAM-AWEZNQCLSA-N -1 1 333.432 2.144 20 0 EEADMM O=C(NC[C@H]1CCCN1C(=O)c1ncccc1[O-])C1(F)CCCCC1 ZINC001430911219 1340377884 /nfs/dbraw/zinc/37/78/84/1340377884.db2.gz SGQYNTIDECLQHI-CYBMUJFWSA-N -1 1 349.406 2.180 20 0 EEADMM CC(C)[C@@H](CNC(=O)CCC1CCC1)NC(=O)c1ncccc1[O-] ZINC001431212201 1340503447 /nfs/dbraw/zinc/50/34/47/1340503447.db2.gz OMOQBMLEQCQKOR-CQSZACIVSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc2c1OC(F)(F)O2 ZINC001433561032 1341626846 /nfs/dbraw/zinc/62/68/46/1341626846.db2.gz CGJRRHQADUCIIZ-UHFFFAOYSA-N -1 1 336.176 2.397 20 0 EEADMM CCCOc1ccc(CNC(=O)c2cnc(SC)[n-]c2=O)cn1 ZINC001433617144 1341639310 /nfs/dbraw/zinc/63/93/10/1341639310.db2.gz ONWUQZHWEBUDKJ-UHFFFAOYSA-N -1 1 334.401 2.018 20 0 EEADMM CSc1ncc(C(=O)NC2(c3noc(C)n3)CCCCC2)c(=O)[n-]1 ZINC001433619124 1341639790 /nfs/dbraw/zinc/63/97/90/1341639790.db2.gz ATYPSEWAKJJAFJ-UHFFFAOYSA-N -1 1 349.416 2.185 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1(C)C ZINC001434113589 1341768205 /nfs/dbraw/zinc/76/82/05/1341768205.db2.gz SPMSECJYSRKXQI-RYUDHWBXSA-N -1 1 335.404 2.209 20 0 EEADMM CC(C)CC(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434138979 1341775903 /nfs/dbraw/zinc/77/59/03/1341775903.db2.gz KNIZLNPRBFPKTD-AWEZNQCLSA-N -1 1 333.432 2.238 20 0 EEADMM O=C(Nc1ccncc1[O-])c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001558928456 1342493073 /nfs/dbraw/zinc/49/30/73/1342493073.db2.gz HVKYIENUDJCGDF-UHFFFAOYSA-N -1 1 338.342 2.275 20 0 EEADMM C[C@@]1(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CCCS1 ZINC001575779456 1343881604 /nfs/dbraw/zinc/88/16/04/1343881604.db2.gz HNJYRYLLQSQDNR-ZDUSSCGKSA-N -1 1 338.462 2.013 20 0 EEADMM CC[C@@H](C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001576652038 1344045715 /nfs/dbraw/zinc/04/57/15/1344045715.db2.gz PDHPCHUMPMBDHM-SECBINFHSA-N -1 1 343.840 2.235 20 0 EEADMM CC[C@@H](C)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001576652038 1344045719 /nfs/dbraw/zinc/04/57/19/1344045719.db2.gz PDHPCHUMPMBDHM-SECBINFHSA-N -1 1 343.840 2.235 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C[C@@H]1OC ZINC001577110347 1344090867 /nfs/dbraw/zinc/09/08/67/1344090867.db2.gz LOPQLZHIGVKTMH-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C[C@@H]1OC ZINC001577110347 1344090873 /nfs/dbraw/zinc/09/08/73/1344090873.db2.gz LOPQLZHIGVKTMH-MNOVXSKESA-N -1 1 335.433 2.252 20 0 EEADMM CCCC(=O)NC[C@H](CC)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577213929 1344107652 /nfs/dbraw/zinc/10/76/52/1344107652.db2.gz SDNMTJZRHQBLPA-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC(=O)NC[C@H](CC)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577213929 1344107656 /nfs/dbraw/zinc/10/76/56/1344107656.db2.gz SDNMTJZRHQBLPA-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCc1ccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001577520065 1344157938 /nfs/dbraw/zinc/15/79/38/1344157938.db2.gz HHCXTLPOFVJICO-UHFFFAOYSA-N -1 1 339.403 2.124 20 0 EEADMM CCCCc1ccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001577520065 1344157939 /nfs/dbraw/zinc/15/79/39/1344157939.db2.gz HHCXTLPOFVJICO-UHFFFAOYSA-N -1 1 339.403 2.124 20 0 EEADMM CCOc1cncc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001578405244 1344274868 /nfs/dbraw/zinc/27/48/68/1344274868.db2.gz CQVCYJHMJGSRQM-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCOc1cncc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001578405244 1344274871 /nfs/dbraw/zinc/27/48/71/1344274871.db2.gz CQVCYJHMJGSRQM-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC001578515270 1344286463 /nfs/dbraw/zinc/28/64/63/1344286463.db2.gz YBMYKJWJRFHMNX-UHFFFAOYSA-N -1 1 326.335 2.144 20 0 EEADMM CCc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC001578515270 1344286464 /nfs/dbraw/zinc/28/64/64/1344286464.db2.gz YBMYKJWJRFHMNX-UHFFFAOYSA-N -1 1 326.335 2.144 20 0 EEADMM CN(Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(F)c([O-])c1 ZINC001579242239 1344358187 /nfs/dbraw/zinc/35/81/87/1344358187.db2.gz WVZNABAJIJOZRJ-UHFFFAOYSA-N -1 1 333.348 2.045 20 0 EEADMM CO[C@@](C)(C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001579530416 1344393177 /nfs/dbraw/zinc/39/31/77/1344393177.db2.gz LZUWAULVGRVNIH-MRXNPFEDSA-N -1 1 343.412 2.106 20 0 EEADMM COc1cccc(COC(=O)c2csc(-c3nnn[n-]3)c2)c1OC ZINC001580069405 1344462731 /nfs/dbraw/zinc/46/27/31/1344462731.db2.gz GHKJSVBDCCIUCQ-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1cccc(COC(=O)c2csc(-c3nn[n-]n3)c2)c1OC ZINC001580069405 1344462738 /nfs/dbraw/zinc/46/27/38/1344462738.db2.gz GHKJSVBDCCIUCQ-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001580083459 1344468881 /nfs/dbraw/zinc/46/88/81/1344468881.db2.gz JLAGNIZMFJXWJR-QWHCGFSZSA-N -1 1 339.355 2.063 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001580083459 1344468887 /nfs/dbraw/zinc/46/88/87/1344468887.db2.gz JLAGNIZMFJXWJR-QWHCGFSZSA-N -1 1 339.355 2.063 20 0 EEADMM Cc1ccc2c(c1F)N(C(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001581215619 1344599851 /nfs/dbraw/zinc/59/98/51/1344599851.db2.gz APCMDJDQVYPZKR-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc2c(c1F)N(C(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001581215619 1344599853 /nfs/dbraw/zinc/59/98/53/1344599853.db2.gz APCMDJDQVYPZKR-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1nsc(NC(=O)Nc2cccc3c2CCO3)c1-c1nnn[n-]1 ZINC001581686936 1344654164 /nfs/dbraw/zinc/65/41/64/1344654164.db2.gz WDIQWYUUHNMGTF-UHFFFAOYSA-N -1 1 343.372 2.211 20 0 EEADMM Cc1nsc(NC(=O)Nc2cccc3c2CCO3)c1-c1nn[n-]n1 ZINC001581686936 1344654169 /nfs/dbraw/zinc/65/41/69/1344654169.db2.gz WDIQWYUUHNMGTF-UHFFFAOYSA-N -1 1 343.372 2.211 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCC1(C(F)(F)F)CC1 ZINC001582549534 1344761010 /nfs/dbraw/zinc/76/10/10/1344761010.db2.gz DITSGERUAPLQPG-UHFFFAOYSA-N -1 1 346.338 2.070 20 0 EEADMM C=C/C=C\CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001588529513 1348913271 /nfs/dbraw/zinc/91/32/71/1348913271.db2.gz AZIXIGZIEODYOD-PLNGDYQASA-N -1 1 338.371 2.421 20 0 EEADMM C=C/C=C\CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001588529513 1348913275 /nfs/dbraw/zinc/91/32/75/1348913275.db2.gz AZIXIGZIEODYOD-PLNGDYQASA-N -1 1 338.371 2.421 20 0 EEADMM CC(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cc1 ZINC001588917165 1348946895 /nfs/dbraw/zinc/94/68/95/1348946895.db2.gz FXUFIBHHUIQXDA-UHFFFAOYSA-N -1 1 343.730 2.337 20 0 EEADMM CC(C)(C)CCCn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001589124288 1348962059 /nfs/dbraw/zinc/96/20/59/1348962059.db2.gz BFVLKFOIJYVVHS-UHFFFAOYSA-N -1 1 329.404 2.374 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589476935 1348994447 /nfs/dbraw/zinc/99/44/47/1348994447.db2.gz XABDFUDXKKBSDD-MRVPVSSYSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589441812 1348991118 /nfs/dbraw/zinc/99/11/18/1348991118.db2.gz KRELDKOLIGYRDY-CYBMUJFWSA-N -1 1 339.403 2.433 20 0 EEADMM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589441812 1348991122 /nfs/dbraw/zinc/99/11/22/1348991122.db2.gz KRELDKOLIGYRDY-CYBMUJFWSA-N -1 1 339.403 2.433 20 0 EEADMM CC(C)[C@@H](O)C(C)(C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589476935 1348994448 /nfs/dbraw/zinc/99/44/48/1348994448.db2.gz XABDFUDXKKBSDD-MRVPVSSYSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccn1 ZINC001589472650 1348993002 /nfs/dbraw/zinc/99/30/02/1348993002.db2.gz RFWPNBMVOPOCOB-CYBMUJFWSA-N -1 1 328.401 2.450 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001589490302 1348995355 /nfs/dbraw/zinc/99/53/55/1348995355.db2.gz JWVJQTKPPCYRSH-ZBEGNZNMSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001589490302 1348995357 /nfs/dbraw/zinc/99/53/57/1348995357.db2.gz JWVJQTKPPCYRSH-ZBEGNZNMSA-N -1 1 331.424 2.439 20 0 EEADMM CC(C)CCn1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)n1 ZINC001589614615 1349012025 /nfs/dbraw/zinc/01/20/25/1349012025.db2.gz ZRZNYRBNLSXWIN-UHFFFAOYSA-N -1 1 331.405 2.423 20 0 EEADMM CC(C)Cn1ncnc1CSCc1nc(-c2nnn[n-]2)cs1 ZINC001589671453 1349019671 /nfs/dbraw/zinc/01/96/71/1349019671.db2.gz IDZXZNJMHUTKON-UHFFFAOYSA-N -1 1 336.450 2.004 20 0 EEADMM CC(C)Cn1ncnc1CSCc1nc(-c2nn[n-]n2)cs1 ZINC001589671453 1349019676 /nfs/dbraw/zinc/01/96/76/1349019676.db2.gz IDZXZNJMHUTKON-UHFFFAOYSA-N -1 1 336.450 2.004 20 0 EEADMM CC(C)OC1CCC(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589740121 1349028048 /nfs/dbraw/zinc/02/80/48/1349028048.db2.gz YNEWWZQILRXSLU-UHFFFAOYSA-N -1 1 345.407 2.119 20 0 EEADMM CC(C)OC1CCC(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589740121 1349028050 /nfs/dbraw/zinc/02/80/50/1349028050.db2.gz YNEWWZQILRXSLU-UHFFFAOYSA-N -1 1 345.407 2.119 20 0 EEADMM CC(C)OCc1nc([C@@H](C)NCc2csc(-c3nn[n-]n3)c2)no1 ZINC001589749656 1349028988 /nfs/dbraw/zinc/02/89/88/1349028988.db2.gz DRFQINUDZFBTBH-SECBINFHSA-N -1 1 349.420 2.087 20 0 EEADMM C[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589796761 1349045229 /nfs/dbraw/zinc/04/52/29/1349045229.db2.gz OEKBAMLPQCGYKQ-VIFPVBQESA-N -1 1 341.412 2.109 20 0 EEADMM C[C@H](CCNc1ccnc(-c2nnn[n-]2)c1)N(C)C(=O)OC(C)(C)C ZINC001589829169 1349051612 /nfs/dbraw/zinc/05/16/12/1349051612.db2.gz KNNRSSVESSSGBS-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM C[C@H](CCNc1ccnc(-c2nn[n-]n2)c1)N(C)C(=O)OC(C)(C)C ZINC001589829169 1349051614 /nfs/dbraw/zinc/05/16/14/1349051614.db2.gz KNNRSSVESSSGBS-LLVKDONJSA-N -1 1 347.423 2.319 20 0 EEADMM C[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC001589869123 1349053894 /nfs/dbraw/zinc/05/38/94/1349053894.db2.gz VBUUBLSAKKXXKU-VIFPVBQESA-N -1 1 338.327 2.134 20 0 EEADMM C[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC001589869123 1349053895 /nfs/dbraw/zinc/05/38/95/1349053895.db2.gz VBUUBLSAKKXXKU-VIFPVBQESA-N -1 1 338.327 2.134 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1ccsc1 ZINC001589976990 1349088430 /nfs/dbraw/zinc/08/84/30/1349088430.db2.gz XJVAZLKPCVNAKD-SSDOTTSWSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1ccsc1 ZINC001589976990 1349088434 /nfs/dbraw/zinc/08/84/34/1349088434.db2.gz XJVAZLKPCVNAKD-SSDOTTSWSA-N -1 1 341.443 2.029 20 0 EEADMM C[C@@H](Nc1ncncc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC001589989107 1349096628 /nfs/dbraw/zinc/09/66/28/1349096628.db2.gz FWNLIYYTKKGJCD-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM CC(C)n1cc([C@H](C)OC(=O)c2csc(-c3nnn[n-]3)c2)nn1 ZINC001590016103 1349110196 /nfs/dbraw/zinc/11/01/96/1349110196.db2.gz PLSBJMNVKNEENF-QMMMGPOBSA-N -1 1 333.377 2.019 20 0 EEADMM CC(C)n1cc([C@H](C)OC(=O)c2csc(-c3nn[n-]n3)c2)nn1 ZINC001590016103 1349110198 /nfs/dbraw/zinc/11/01/98/1349110198.db2.gz PLSBJMNVKNEENF-QMMMGPOBSA-N -1 1 333.377 2.019 20 0 EEADMM C[C@]1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCc2ccccc21 ZINC001590069190 1349136821 /nfs/dbraw/zinc/13/68/21/1349136821.db2.gz VNLPCQVBZYZXOJ-KRWDZBQOSA-N -1 1 339.424 2.449 20 0 EEADMM CC1(C)C(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1(C)C ZINC001590077720 1349140592 /nfs/dbraw/zinc/14/05/92/1349140592.db2.gz YJXKCSQJFWBZCV-UHFFFAOYSA-N -1 1 334.449 2.410 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccco1 ZINC001590103239 1349155572 /nfs/dbraw/zinc/15/55/72/1349155572.db2.gz JMFVSXOFVRHXCG-CYBMUJFWSA-N -1 1 339.359 2.470 20 0 EEADMM CC1(C)CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccco1 ZINC001590103239 1349155577 /nfs/dbraw/zinc/15/55/77/1349155577.db2.gz JMFVSXOFVRHXCG-CYBMUJFWSA-N -1 1 339.359 2.470 20 0 EEADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590192249 1349193611 /nfs/dbraw/zinc/19/36/11/1349193611.db2.gz IWGNAJIYCOPCHM-MRVPVSSYSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590192249 1349193615 /nfs/dbraw/zinc/19/36/15/1349193615.db2.gz IWGNAJIYCOPCHM-MRVPVSSYSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@@H]1CC[C@](C)(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)C1(C)C ZINC001590225684 1349211168 /nfs/dbraw/zinc/21/11/68/1349211168.db2.gz VRWFGOOECTYVBS-OVZWUADYSA-N -1 1 329.408 2.304 20 0 EEADMM C[C@H]1CCC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001590250496 1349227202 /nfs/dbraw/zinc/22/72/02/1349227202.db2.gz ULXLDGDGGUIAFE-XVKPBYJWSA-N -1 1 340.309 2.199 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590253403 1349228287 /nfs/dbraw/zinc/22/82/87/1349228287.db2.gz FGKRSEFPOODIAP-JQWIXIFHSA-N -1 1 335.433 2.253 20 0 EEADMM C[C@H]1CN(C(=O)c2csc(-c3nn[n-]n3)c2)CC2(CCCC2)O1 ZINC001590300823 1349252595 /nfs/dbraw/zinc/25/25/95/1349252595.db2.gz IYDAKLDPIYKGDV-JTQLQIEISA-N -1 1 333.417 2.102 20 0 EEADMM CCC(=O)N[C@@H](C)CCCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590363760 1349286147 /nfs/dbraw/zinc/28/61/47/1349286147.db2.gz UJVINXSBQUJIKI-ZETCQYMHSA-N -1 1 343.844 2.083 20 0 EEADMM CC[C@@H](COC(=O)Cc1ccc(-c2nnn[n-]2)nc1)CC(F)F ZINC001590448685 1349331179 /nfs/dbraw/zinc/33/11/79/1349331179.db2.gz NEUCMGCHCLHNBK-SECBINFHSA-N -1 1 325.319 2.029 20 0 EEADMM CC[C@@H](COC(=O)Cc1ccc(-c2nn[n-]n2)nc1)CC(F)F ZINC001590448685 1349331183 /nfs/dbraw/zinc/33/11/83/1349331183.db2.gz NEUCMGCHCLHNBK-SECBINFHSA-N -1 1 325.319 2.029 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001590538232 1349365545 /nfs/dbraw/zinc/36/55/45/1349365545.db2.gz BCCXMCBRQAVMNH-UHFFFAOYSA-N -1 1 337.387 2.034 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001590538232 1349365555 /nfs/dbraw/zinc/36/55/55/1349365555.db2.gz BCCXMCBRQAVMNH-UHFFFAOYSA-N -1 1 337.387 2.034 20 0 EEADMM CCCCn1cc(CNc2ccc(C)c(-c3nnn[n-]3)n2)c(C)n1 ZINC001590617123 1349376516 /nfs/dbraw/zinc/37/65/16/1349376516.db2.gz QCWSFPNNANMXFM-UHFFFAOYSA-N -1 1 326.408 2.487 20 0 EEADMM CCCCn1cc(CNc2ccc(C)c(-c3nn[n-]n3)n2)c(C)n1 ZINC001590617123 1349376520 /nfs/dbraw/zinc/37/65/20/1349376520.db2.gz QCWSFPNNANMXFM-UHFFFAOYSA-N -1 1 326.408 2.487 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1Cl ZINC001590657474 1349382874 /nfs/dbraw/zinc/38/28/74/1349382874.db2.gz VEYDKJCOWNLCPS-UHFFFAOYSA-N -1 1 345.794 2.458 20 0 EEADMM CCCc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1Cl ZINC001590657474 1349382880 /nfs/dbraw/zinc/38/28/80/1349382880.db2.gz VEYDKJCOWNLCPS-UHFFFAOYSA-N -1 1 345.794 2.458 20 0 EEADMM CCc1nc(NCCc2cc(F)c(F)c(F)c2)cc(-c2nnn[n-]2)n1 ZINC001590922345 1349411784 /nfs/dbraw/zinc/41/17/84/1349411784.db2.gz MGTLKLODDIHXKI-UHFFFAOYSA-N -1 1 349.320 2.291 20 0 EEADMM CCc1nc(NCCc2cc(F)c(F)c(F)c2)cc(-c2nn[n-]n2)n1 ZINC001590922345 1349411787 /nfs/dbraw/zinc/41/17/87/1349411787.db2.gz MGTLKLODDIHXKI-UHFFFAOYSA-N -1 1 349.320 2.291 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001591648298 1349524006 /nfs/dbraw/zinc/52/40/06/1349524006.db2.gz DBGQGXTUKUQBBZ-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM COc1ccccc1[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001591648298 1349524009 /nfs/dbraw/zinc/52/40/09/1349524009.db2.gz DBGQGXTUKUQBBZ-CQSZACIVSA-N -1 1 337.387 2.397 20 0 EEADMM Cc1cc(C)n(CCCNc2snc(Cl)c2-c2nnn[n-]2)n1 ZINC001591956087 1349568283 /nfs/dbraw/zinc/56/82/83/1349568283.db2.gz WTNWEOKBIRENLY-UHFFFAOYSA-N -1 1 338.828 2.292 20 0 EEADMM Cc1cc(C)n(CCCNc2snc(Cl)c2-c2nn[n-]n2)n1 ZINC001591956087 1349568284 /nfs/dbraw/zinc/56/82/84/1349568284.db2.gz WTNWEOKBIRENLY-UHFFFAOYSA-N -1 1 338.828 2.292 20 0 EEADMM Cc1ccc(-c2nnn[n-]2)nc1N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC001592109847 1349593468 /nfs/dbraw/zinc/59/34/68/1349593468.db2.gz DXRBFTUHIQRWLY-JTQLQIEISA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1N1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC001592109847 1349593474 /nfs/dbraw/zinc/59/34/74/1349593474.db2.gz DXRBFTUHIQRWLY-JTQLQIEISA-N -1 1 342.325 2.116 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1-c1nnn[n-]1 ZINC001592478819 1349635913 /nfs/dbraw/zinc/63/59/13/1349635913.db2.gz HSOBMBOPMSHPSG-GJMOJQLCSA-N -1 1 340.359 2.252 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1-c1nn[n-]n1 ZINC001592478819 1349635915 /nfs/dbraw/zinc/63/59/15/1349635915.db2.gz HSOBMBOPMSHPSG-GJMOJQLCSA-N -1 1 340.359 2.252 20 0 EEADMM Cc1nsc(N[C@@H]2CCc3cnn(C(C)C)c3C2)c1-c1nn[n-]n1 ZINC001592486903 1349636810 /nfs/dbraw/zinc/63/68/10/1349636810.db2.gz VDURWGGGQWUJGD-LLVKDONJSA-N -1 1 344.448 2.378 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001592498680 1349637064 /nfs/dbraw/zinc/63/70/64/1349637064.db2.gz CVAXWGNMXJWBME-LBPRGKRZSA-N -1 1 333.298 2.348 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001592498680 1349637065 /nfs/dbraw/zinc/63/70/65/1349637065.db2.gz CVAXWGNMXJWBME-LBPRGKRZSA-N -1 1 333.298 2.348 20 0 EEADMM Clc1ccc(N2CC[C@@H](Nc3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001592532213 1349649271 /nfs/dbraw/zinc/64/92/71/1349649271.db2.gz LTCGQKOJOSANBW-LLVKDONJSA-N -1 1 342.794 2.001 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2ncccn2)nc1-c1nnn[n-]1 ZINC001592532553 1349650077 /nfs/dbraw/zinc/65/00/77/1349650077.db2.gz RNKYYEBJCHFFQN-LLVKDONJSA-N -1 1 342.794 2.437 20 0 EEADMM Clc1ccc(N2CCCC[C@@H]2c2ncccn2)nc1-c1nn[n-]n1 ZINC001592532553 1349650079 /nfs/dbraw/zinc/65/00/79/1349650079.db2.gz RNKYYEBJCHFFQN-LLVKDONJSA-N -1 1 342.794 2.437 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3cc(-c4nnn[n-]4)ncn3)C2)c1 ZINC001592535066 1349650501 /nfs/dbraw/zinc/65/05/01/1349650501.db2.gz WZHRVHSWGMSDTM-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@@H]2CCN(c3cc(-c4nn[n-]n4)ncn3)C2)c1 ZINC001592535066 1349650502 /nfs/dbraw/zinc/65/05/02/1349650502.db2.gz WZHRVHSWGMSDTM-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM F[C@H]1COc2ccccc2[C@H]1NCc1csc(-c2nn[n-]n2)c1 ZINC001592631931 1349681627 /nfs/dbraw/zinc/68/16/27/1349681627.db2.gz KTSMPLZMUBHCEY-SMDDNHRTSA-N -1 1 331.376 2.490 20 0 EEADMM Fc1ccc(Cc2noc(OCc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC001592649650 1349694718 /nfs/dbraw/zinc/69/47/18/1349694718.db2.gz VDKKDCWTEMQKFG-UHFFFAOYSA-N -1 1 342.290 2.152 20 0 EEADMM Fc1ccc(Cc2noc(OCc3ccc(-c4nn[n-]n4)o3)n2)cc1 ZINC001592649650 1349694721 /nfs/dbraw/zinc/69/47/21/1349694721.db2.gz VDKKDCWTEMQKFG-UHFFFAOYSA-N -1 1 342.290 2.152 20 0 EEADMM Fc1cccc(-n2ccc(NCC[C@@H]3CCCO3)n2)c1-c1nn[n-]n1 ZINC001592654704 1349699634 /nfs/dbraw/zinc/69/96/34/1349699634.db2.gz KGYMHTBREICLMR-NSHDSACASA-N -1 1 343.366 2.173 20 0 EEADMM Fc1ccccc1C1(CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001592659163 1349703023 /nfs/dbraw/zinc/70/30/23/1349703023.db2.gz UXSDMZRTWLWXTH-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM Fc1ccccc1C1(CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001592659163 1349703025 /nfs/dbraw/zinc/70/30/25/1349703025.db2.gz UXSDMZRTWLWXTH-UHFFFAOYSA-N -1 1 325.351 2.330 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)c1ccsc1 ZINC001592936204 1349728297 /nfs/dbraw/zinc/72/82/97/1349728297.db2.gz IJGPVZPYCFOJTH-UHFFFAOYSA-N -1 1 343.393 2.188 20 0 EEADMM O=C(N[C@@H]1CCOCC12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC001592996474 1349732722 /nfs/dbraw/zinc/73/27/22/1349732722.db2.gz PCUYJHWYDYOXLF-GFCCVEGCSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(N[C@@H]1CCOCC12CCCC2)c1ccc(-c2nn[n-]n2)s1 ZINC001592996474 1349732723 /nfs/dbraw/zinc/73/27/23/1349732723.db2.gz PCUYJHWYDYOXLF-GFCCVEGCSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCc2cc(F)ccc21 ZINC001593137510 1349739855 /nfs/dbraw/zinc/73/98/55/1349739855.db2.gz GRXJHWZMOBUHMC-CYBMUJFWSA-N -1 1 343.387 2.414 20 0 EEADMM O=C(NCc1ccccc1OCC1CC1)c1coc(-c2nnn[n-]2)c1 ZINC001593145951 1349742653 /nfs/dbraw/zinc/74/26/53/1349742653.db2.gz KDQGUTOMRJGXQU-UHFFFAOYSA-N -1 1 339.355 2.179 20 0 EEADMM O=C(NCc1ccccc1OCC1CC1)c1coc(-c2nn[n-]n2)c1 ZINC001593145951 1349742656 /nfs/dbraw/zinc/74/26/56/1349742656.db2.gz KDQGUTOMRJGXQU-UHFFFAOYSA-N -1 1 339.355 2.179 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1cc2ccccc2[nH]1 ZINC001593195411 1349744186 /nfs/dbraw/zinc/74/41/86/1349744186.db2.gz BLTPGKLKHZAEKE-UHFFFAOYSA-N -1 1 334.343 2.201 20 0 EEADMM O=C(N[C@H]1CCCC[C@H]1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001593182216 1349744855 /nfs/dbraw/zinc/74/48/55/1349744855.db2.gz ZQOVMGAOIVRPRX-KCJUWKMLSA-N -1 1 325.294 2.155 20 0 EEADMM O=C(N[C@H]1CCCC[C@H]1F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001593182216 1349744858 /nfs/dbraw/zinc/74/48/58/1349744858.db2.gz ZQOVMGAOIVRPRX-KCJUWKMLSA-N -1 1 325.294 2.155 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593180509 1349744966 /nfs/dbraw/zinc/74/49/66/1349744966.db2.gz FLYOJNVKUIJDIJ-GXTWGEPZSA-N -1 1 341.321 2.431 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593180509 1349744968 /nfs/dbraw/zinc/74/49/68/1349744968.db2.gz FLYOJNVKUIJDIJ-GXTWGEPZSA-N -1 1 341.321 2.431 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1nccc2ccccc21 ZINC001593195944 1349745123 /nfs/dbraw/zinc/74/51/23/1349745123.db2.gz JCQWVOXSFQPDLH-UHFFFAOYSA-N -1 1 346.354 2.268 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001593243910 1349748778 /nfs/dbraw/zinc/74/87/78/1349748778.db2.gz RQMFDIXEPPVKDI-DTWKUNHWSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001593243910 1349748781 /nfs/dbraw/zinc/74/87/81/1349748781.db2.gz RQMFDIXEPPVKDI-DTWKUNHWSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1coc(C2CCCC2)n1 ZINC001593245011 1349749237 /nfs/dbraw/zinc/74/92/37/1349749237.db2.gz BXRFODYVLDNQHQ-UHFFFAOYSA-N -1 1 325.332 2.160 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1coc(C2CCCC2)n1 ZINC001593245011 1349749241 /nfs/dbraw/zinc/74/92/41/1349749241.db2.gz BXRFODYVLDNQHQ-UHFFFAOYSA-N -1 1 325.332 2.160 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC001593259490 1349754294 /nfs/dbraw/zinc/75/42/94/1349754294.db2.gz ARIFHRIUFKNICK-ZIAGYGMSSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1CC[C@H](C2CCC2)C1 ZINC001593334812 1349782688 /nfs/dbraw/zinc/78/26/88/1349782688.db2.gz AVJLPSHGMUQZSZ-JTQLQIEISA-N -1 1 332.795 2.177 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)o1)N1CC(Cc2ccccc2Cl)C1 ZINC001593340403 1349784345 /nfs/dbraw/zinc/78/43/45/1349784345.db2.gz KPOJMLPVXBUFTB-UHFFFAOYSA-N -1 1 343.774 2.428 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N1CC(Cc2ccccc2Cl)C1 ZINC001593340403 1349784348 /nfs/dbraw/zinc/78/43/48/1349784348.db2.gz KPOJMLPVXBUFTB-UHFFFAOYSA-N -1 1 343.774 2.428 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC(CC(F)(F)F)CC1 ZINC001593358897 1349789158 /nfs/dbraw/zinc/78/91/58/1349789158.db2.gz SFOWEPTXGBLKGS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC(CC(F)(F)F)CC1 ZINC001593358897 1349789161 /nfs/dbraw/zinc/78/91/61/1349789161.db2.gz SFOWEPTXGBLKGS-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCc2ccccc2CC1 ZINC001593362528 1349790861 /nfs/dbraw/zinc/79/08/61/1349790861.db2.gz RVBNRKKYBKEZAE-UHFFFAOYSA-N -1 1 325.397 2.169 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCc2ccccc2CC1 ZINC001593362528 1349790864 /nfs/dbraw/zinc/79/08/64/1349790864.db2.gz RVBNRKKYBKEZAE-UHFFFAOYSA-N -1 1 325.397 2.169 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC001593367276 1349791688 /nfs/dbraw/zinc/79/16/88/1349791688.db2.gz IVRQJKGDZMCXCL-UHFFFAOYSA-N -1 1 339.355 2.218 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC001593367276 1349791694 /nfs/dbraw/zinc/79/16/94/1349791694.db2.gz IVRQJKGDZMCXCL-UHFFFAOYSA-N -1 1 339.355 2.218 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC001593371435 1349793145 /nfs/dbraw/zinc/79/31/45/1349793145.db2.gz QVHOQXDMIZXWFP-LLVKDONJSA-N -1 1 329.389 2.019 20 0 EEADMM O=C1CCCc2cc(OCc3ccc(-c4nnn[n-]4)o3)ccc2N1 ZINC001593395599 1349797351 /nfs/dbraw/zinc/79/73/51/1349797351.db2.gz 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c1ccc([C@@H]2C[C@H]3[C@H](CCCN3c3ccnc(-c4nn[n-]n4)n3)O2)cc1 ZINC001593577291 1349859797 /nfs/dbraw/zinc/85/97/97/1349859797.db2.gz ICMPSIBIEDOVIC-KKUMJFAQSA-N -1 1 349.398 2.156 20 0 EEADMM c1ccc2sc(NCCNc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC001593581377 1349863771 /nfs/dbraw/zinc/86/37/71/1349863771.db2.gz JPXBNYJBYMOIQE-UHFFFAOYSA-N -1 1 338.400 2.395 20 0 EEADMM c1ccc2sc(NCCNc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC001593581377 1349863774 /nfs/dbraw/zinc/86/37/74/1349863774.db2.gz JPXBNYJBYMOIQE-UHFFFAOYSA-N -1 1 338.400 2.395 20 0 EEADMM CCn1cccc(CN[C@H](C)c2ccccc2OCC(=O)[O-])c1=O ZINC001597911059 1349933323 /nfs/dbraw/zinc/93/33/23/1349933323.db2.gz GFIDJGXWHUWTKK-CYBMUJFWSA-N -1 1 330.384 2.182 20 0 EEADMM Cc1c[nH]c(CNC(=O)c2ccc3ccc(O)cc3c2[O-])c(C)c1=O ZINC001598012369 1349934495 /nfs/dbraw/zinc/93/44/95/1349934495.db2.gz YSJCWJIHDDTYNP-UHFFFAOYSA-N -1 1 338.363 2.486 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNCc2cc3ccccc3n(C)c2=O)n1C ZINC001599994147 1349951518 /nfs/dbraw/zinc/95/15/18/1349951518.db2.gz 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/nfs/dbraw/zinc/89/21/10/1350892110.db2.gz NPEDMNRBPWNQDK-GFCCVEGCSA-N -1 1 345.407 2.075 20 0 EEADMM CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604204980 1350892111 /nfs/dbraw/zinc/89/21/11/1350892111.db2.gz NPEDMNRBPWNQDK-GFCCVEGCSA-N -1 1 345.407 2.075 20 0 EEADMM C[C@H](NC(=O)CN1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)c1cccc2ccccc21 ZINC001604272599 1350907028 /nfs/dbraw/zinc/90/70/28/1350907028.db2.gz COBAQHYLUVWFBK-SPVIKVHDSA-N -1 1 338.407 2.279 20 0 EEADMM CCN(Cc1cccc(Cl)c1)Cn1cccc(-c2nn[n-]n2)c1=O ZINC001604324902 1350916327 /nfs/dbraw/zinc/91/63/27/1350916327.db2.gz QGRCCXXEYAONQL-UHFFFAOYSA-N -1 1 344.806 2.161 20 0 EEADMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)C(=O)NCc1ccccc1 ZINC001604349690 1350921760 /nfs/dbraw/zinc/92/17/60/1350921760.db2.gz JIDVUOAQBMCILU-GFCCVEGCSA-N -1 1 330.359 2.318 20 0 EEADMM CCOC(=O)CCCCCCNC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001604373998 1350925921 /nfs/dbraw/zinc/92/59/21/1350925921.db2.gz MTLDJHCFKJFWQP-UHFFFAOYSA-N -1 1 349.391 2.012 20 0 EEADMM CCOC(=O)CCCCCCNC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001604373998 1350925925 /nfs/dbraw/zinc/92/59/25/1350925925.db2.gz MTLDJHCFKJFWQP-UHFFFAOYSA-N -1 1 349.391 2.012 20 0 EEADMM CCOc1cc(C(=O)[N-]c2sc(C)c(CC)c2-c2nn[nH]n2)on1 ZINC001604447071 1350939864 /nfs/dbraw/zinc/93/98/64/1350939864.db2.gz CGCITXWKQVFFNQ-UHFFFAOYSA-N -1 1 348.388 2.438 20 0 EEADMM CCn1nc(C)c(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)c1C ZINC001604617608 1350971599 /nfs/dbraw/zinc/97/15/99/1350971599.db2.gz PGFJWTVWQLZGBP-UHFFFAOYSA-N -1 1 343.410 2.471 20 0 EEADMM CCn1nc(C)c(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)c1C ZINC001604617608 1350971602 /nfs/dbraw/zinc/97/16/02/1350971602.db2.gz PGFJWTVWQLZGBP-UHFFFAOYSA-N -1 1 343.410 2.471 20 0 EEADMM COc1cc(Nc2cc(-c3nnn[n-]3)ncn2)ccc1Br ZINC001605231046 1351110659 /nfs/dbraw/zinc/11/06/59/1351110659.db2.gz VQQUUNOOQIMPHA-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1cc(Nc2cc(-c3nn[n-]n3)ncn2)ccc1Br ZINC001605231046 1351110662 /nfs/dbraw/zinc/11/06/62/1351110662.db2.gz VQQUUNOOQIMPHA-UHFFFAOYSA-N -1 1 348.164 2.171 20 0 EEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)o1)CCC2 ZINC001605309120 1351132544 /nfs/dbraw/zinc/13/25/44/1351132544.db2.gz FHGYVASGRNKSBH-ZDUSSCGKSA-N -1 1 339.355 2.276 20 0 EEADMM COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)o1)CCC2 ZINC001605309120 1351132548 /nfs/dbraw/zinc/13/25/48/1351132548.db2.gz FHGYVASGRNKSBH-ZDUSSCGKSA-N -1 1 339.355 2.276 20 0 EEADMM CSc1ccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001605387902 1351150821 /nfs/dbraw/zinc/15/08/21/1351150821.db2.gz WCSJIOSLKJTBFJ-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CSc1ccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001605387902 1351150826 /nfs/dbraw/zinc/15/08/26/1351150826.db2.gz WCSJIOSLKJTBFJ-UHFFFAOYSA-N -1 1 327.369 2.341 20 0 EEADMM CCN(CC)c1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001605434809 1351157483 /nfs/dbraw/zinc/15/74/83/1351157483.db2.gz CZCXUMGKEWBPLC-HNNXBMFYSA-N -1 1 347.459 2.154 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)[C@@H](C)c2ccc(Cl)cc2)nn1C ZINC001605465587 1351164008 /nfs/dbraw/zinc/16/40/08/1351164008.db2.gz TXOFAHSJGLETPY-QMMMGPOBSA-N -1 1 345.794 2.304 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)[C@@H](C)c2ccc(Cl)cc2)nn1C ZINC001605465587 1351164010 /nfs/dbraw/zinc/16/40/10/1351164010.db2.gz TXOFAHSJGLETPY-QMMMGPOBSA-N -1 1 345.794 2.304 20 0 EEADMM CCOC(=O)c1oc2ccccc2c1CN[C@]1(CC(=O)[O-])CCOC1 ZINC001605584196 1351194408 /nfs/dbraw/zinc/19/44/08/1351194408.db2.gz DUNICVXKZCYWFB-SFHVURJKSA-N -1 1 347.367 2.333 20 0 EEADMM Cc1ccc(C[C@H](CO)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001605842720 1351233641 /nfs/dbraw/zinc/23/36/41/1351233641.db2.gz YBEUOFGFXZSJPH-GFCCVEGCSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(C[C@H](CO)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001605842720 1351233643 /nfs/dbraw/zinc/23/36/43/1351233643.db2.gz YBEUOFGFXZSJPH-GFCCVEGCSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1ccc(NC[C@H](CO)c2ccc(Cl)cc2)c(-c2nnn[n-]2)n1 ZINC001605873707 1351243425 /nfs/dbraw/zinc/24/34/25/1351243425.db2.gz HBUZTYGLFUFXSM-GFCCVEGCSA-N -1 1 344.806 2.412 20 0 EEADMM Cc1ccc(NC[C@H](CO)c2ccc(Cl)cc2)c(-c2nn[n-]n2)n1 ZINC001605873707 1351243426 /nfs/dbraw/zinc/24/34/26/1351243426.db2.gz HBUZTYGLFUFXSM-GFCCVEGCSA-N -1 1 344.806 2.412 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccsc1 ZINC001606011896 1351263006 /nfs/dbraw/zinc/26/30/06/1351263006.db2.gz CPDNXYRXYRDNEB-ZDUSSCGKSA-N -1 1 337.401 2.141 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H]2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC001606013512 1351263573 /nfs/dbraw/zinc/26/35/73/1351263573.db2.gz SHQOZLMSNHSZMZ-SNVBAGLBSA-N -1 1 341.400 2.116 20 0 EEADMM COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC001606412330 1351301564 /nfs/dbraw/zinc/30/15/64/1351301564.db2.gz YTSYGGLSLVFQKX-HZMBPMFUSA-N -1 1 341.791 2.187 20 0 EEADMM O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001606871342 1351368328 /nfs/dbraw/zinc/36/83/28/1351368328.db2.gz QSJRGTXZEFEYFV-OLZOCXBDSA-N -1 1 341.396 2.188 20 0 EEADMM O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001606871342 1351368331 /nfs/dbraw/zinc/36/83/31/1351368331.db2.gz QSJRGTXZEFEYFV-OLZOCXBDSA-N -1 1 341.396 2.188 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC001606876182 1351368912 /nfs/dbraw/zinc/36/89/12/1351368912.db2.gz QJDQNULBVNBHDK-GXSJLCMTSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC001606876182 1351368915 /nfs/dbraw/zinc/36/89/15/1351368915.db2.gz QJDQNULBVNBHDK-GXSJLCMTSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(Nc1ccc(Nc2ncccn2)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606923437 1351377403 /nfs/dbraw/zinc/37/74/03/1351377403.db2.gz LTQXBGCXSFHLJJ-UHFFFAOYSA-N -1 1 348.326 2.246 20 0 EEADMM O=C(Nc1ccc(Nc2ncccn2)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606923437 1351377404 /nfs/dbraw/zinc/37/74/04/1351377404.db2.gz LTQXBGCXSFHLJJ-UHFFFAOYSA-N -1 1 348.326 2.246 20 0 EEADMM O=C(Nc1ccc2n[nH]cc2c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606929351 1351378636 /nfs/dbraw/zinc/37/86/36/1351378636.db2.gz SUHDMVODFKCARG-UHFFFAOYSA-N -1 1 344.338 2.477 20 0 EEADMM O=C(Nc1cccc(N2CCCC2)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606935498 1351379947 /nfs/dbraw/zinc/37/99/47/1351379947.db2.gz IUVUKONHGIOOHQ-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(Nc1cccc(N2CCCC2)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606935498 1351379950 /nfs/dbraw/zinc/37/99/50/1351379950.db2.gz IUVUKONHGIOOHQ-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCC2(CCCC2)CC1 ZINC001606941053 1351380247 /nfs/dbraw/zinc/38/02/47/1351380247.db2.gz LNESZPSULUFCBH-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCC2(CCCC2)CC1 ZINC001606941053 1351380249 /nfs/dbraw/zinc/38/02/49/1351380249.db2.gz LNESZPSULUFCBH-UHFFFAOYSA-N -1 1 327.392 2.450 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1ccnc(-c2nnn[n-]2)c1 ZINC001606981913 1351391566 /nfs/dbraw/zinc/39/15/66/1351391566.db2.gz DFOOKNCKWWVMFV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1cccc(F)c1Cl)c1ccnc(-c2nn[n-]n2)c1 ZINC001606981913 1351391572 /nfs/dbraw/zinc/39/15/72/1351391572.db2.gz DFOOKNCKWWVMFV-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1csc(-c2nnn[n-]2)c1 ZINC001606988775 1351393838 /nfs/dbraw/zinc/39/38/38/1351393838.db2.gz XTJYRUWLHHRLRQ-ZKCHVHJHSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(O[C@H]1C[C@H](OCC(F)(F)F)C1)c1csc(-c2nn[n-]n2)c1 ZINC001606988775 1351393841 /nfs/dbraw/zinc/39/38/41/1351393841.db2.gz XTJYRUWLHHRLRQ-ZKCHVHJHSA-N -1 1 348.306 2.195 20 0 EEADMM O=C(Oc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606988778 1351393868 /nfs/dbraw/zinc/39/38/68/1351393868.db2.gz XZHCWEQYJBOBGT-UHFFFAOYSA-N -1 1 337.673 2.413 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(CCC2)c2ccccc21 ZINC001607021171 1351398811 /nfs/dbraw/zinc/39/88/11/1351398811.db2.gz JEXIYMACGRYDAT-UHFFFAOYSA-N -1 1 332.367 2.344 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(CCC2)c2ccccc21 ZINC001607021171 1351398814 /nfs/dbraw/zinc/39/88/14/1351398814.db2.gz JEXIYMACGRYDAT-UHFFFAOYSA-N -1 1 332.367 2.344 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccnc(Cl)c1 ZINC001607090057 1351414029 /nfs/dbraw/zinc/41/40/29/1351414029.db2.gz JSAMHBHXTOHMBY-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=c1c(-c2nn[n-]n2)ccc(C(F)(F)F)n1C1CC(CF)(CF)C1 ZINC001607092305 1351414586 /nfs/dbraw/zinc/41/45/86/1351414586.db2.gz SDLSHZBQIFRISY-UHFFFAOYSA-N -1 1 349.263 2.308 20 0 EEADMM c1cc(-c2nnn[n-]2)nc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c1 ZINC001607116650 1351425713 /nfs/dbraw/zinc/42/57/13/1351425713.db2.gz QEQGPOOZMINWKI-JTQLQIEISA-N -1 1 339.359 2.128 20 0 EEADMM c1cc(-c2nn[n-]n2)nc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c1 ZINC001607116650 1351425715 /nfs/dbraw/zinc/42/57/15/1351425715.db2.gz QEQGPOOZMINWKI-JTQLQIEISA-N -1 1 339.359 2.128 20 0 EEADMM c1csc(C[C@H]2CCCN(c3ccnc(-c4nnn[n-]4)c3)C2)n1 ZINC001607119658 1351426519 /nfs/dbraw/zinc/42/65/19/1351426519.db2.gz GEMCJRQDALMNDA-LLVKDONJSA-N -1 1 327.417 2.177 20 0 EEADMM c1csc(C[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)c3)C2)n1 ZINC001607119658 1351426521 /nfs/dbraw/zinc/42/65/21/1351426521.db2.gz GEMCJRQDALMNDA-LLVKDONJSA-N -1 1 327.417 2.177 20 0 EEADMM c1cc(-c2ccccc2)sc1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001607124456 1351428862 /nfs/dbraw/zinc/42/88/62/1351428862.db2.gz MJDNMUXPGBNJBL-UHFFFAOYSA-N -1 1 335.396 2.419 20 0 EEADMM c1sc(-c2ccccc2)nc1CNc1ccnc(-c2nnn[n-]2)c1 ZINC001607124960 1351428994 /nfs/dbraw/zinc/42/89/94/1351428994.db2.gz JRCKTLISUKIWGX-UHFFFAOYSA-N -1 1 335.396 2.419 20 0 EEADMM c1sc(-c2ccccc2)nc1CNc1ccnc(-c2nn[n-]n2)c1 ZINC001607124960 1351428995 /nfs/dbraw/zinc/42/89/95/1351428995.db2.gz JRCKTLISUKIWGX-UHFFFAOYSA-N -1 1 335.396 2.419 20 0 EEADMM c1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)oc1-c1nnn[n-]1 ZINC001607127915 1351430573 /nfs/dbraw/zinc/43/05/73/1351430573.db2.gz GEEPVRBGMKCXNQ-UHFFFAOYSA-N -1 1 346.310 2.362 20 0 EEADMM c1cc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)oc1-c1nn[n-]n1 ZINC001607127915 1351430574 /nfs/dbraw/zinc/43/05/74/1351430574.db2.gz GEEPVRBGMKCXNQ-UHFFFAOYSA-N -1 1 346.310 2.362 20 0 EEADMM c1ccc([C@H]2N(c3ccnc(-c4nn[n-]n4)n3)CC23CCOCC3)cc1 ZINC001607130045 1351432361 /nfs/dbraw/zinc/43/23/61/1351432361.db2.gz ZZFJLIVKYQZBPJ-OAHLLOKOSA-N -1 1 349.398 2.015 20 0 EEADMM c1ccc2cc(OCCNc3ncncc3-c3nn[n-]n3)ccc2c1 ZINC001607132223 1351434145 /nfs/dbraw/zinc/43/41/45/1351434145.db2.gz XWBUJFVMSINPCO-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM COc1cc(OC)cc([C@H](O)CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001607187224 1351445691 /nfs/dbraw/zinc/44/56/91/1351445691.db2.gz RSLWJGNCVBOHJP-FUTAKVPZSA-N -1 1 347.367 2.218 20 0 EEADMM COc1cc(OC)cc([C@@H](O)CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001607187227 1351445768 /nfs/dbraw/zinc/44/57/68/1351445768.db2.gz RSLWJGNCVBOHJP-RTRPANQVSA-N -1 1 347.367 2.218 20 0 EEADMM COc1ccc(-c2nnc(CN3CCC[C@@H]4C[C@@]43C(=O)[O-])o2)cc1 ZINC001607196358 1351447054 /nfs/dbraw/zinc/44/70/54/1351447054.db2.gz KPLDABDVXKEJOY-PXAZEXFGSA-N -1 1 329.356 2.184 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001607265522 1351461771 /nfs/dbraw/zinc/46/17/71/1351461771.db2.gz WOAMUBSMPSMPJS-GHMZBOCLSA-N -1 1 340.807 2.330 20 0 EEADMM COc1ccc(NC(=O)[C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001607273254 1351462628 /nfs/dbraw/zinc/46/26/28/1351462628.db2.gz MOVDLNTYUFTXOF-GUYCJALGSA-N -1 1 342.395 2.308 20 0 EEADMM COc1cccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001607309824 1351470125 /nfs/dbraw/zinc/47/01/25/1351470125.db2.gz QSTLTUZSYDDQHO-LLVKDONJSA-N -1 1 329.356 2.078 20 0 EEADMM Cc1cc(C(=O)[O-])nc(NC[C@@H](C)N2CCc3sccc3C2)n1 ZINC001607600936 1351522568 /nfs/dbraw/zinc/52/25/68/1351522568.db2.gz DGUKONXXEQXLQV-LLVKDONJSA-N -1 1 332.429 2.403 20 0 EEADMM Cc1cc(C)cc([C@@H](NC(=O)CCCCc2c[nH]nn2)C(=O)[O-])c1 ZINC001607626188 1351528289 /nfs/dbraw/zinc/52/82/89/1351528289.db2.gz SPZGBWNCDCUMTJ-MRXNPFEDSA-N -1 1 330.388 2.076 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCCn2nccc21 ZINC001607741581 1351549973 /nfs/dbraw/zinc/54/99/73/1351549973.db2.gz ZMXRCYQCBIMUQR-OCCSQVGLSA-N -1 1 342.399 2.341 20 0 EEADMM Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001607790051 1351559421 /nfs/dbraw/zinc/55/94/21/1351559421.db2.gz ANZTXPVKHZGTDJ-WHOFXGATSA-N -1 1 338.379 2.073 20 0 EEADMM Cc1ccc2snc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c2c1 ZINC001607834853 1351568535 /nfs/dbraw/zinc/56/85/35/1351568535.db2.gz AGHHSTQFGAATMS-LBPRGKRZSA-N -1 1 347.440 2.226 20 0 EEADMM Cc1nc(C)c(S(=O)(=O)Nc2ncc(C(=O)[O-])cc2Cl)s1 ZINC001607951887 1351591784 /nfs/dbraw/zinc/59/17/84/1351591784.db2.gz GZOYLYOYQMFTHF-UHFFFAOYSA-N -1 1 347.805 2.307 20 0 EEADMM Cc1ncc2c(n1)CCC[C@H]2N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001607987270 1351598565 /nfs/dbraw/zinc/59/85/65/1351598565.db2.gz HSWCSGXRRXSBFS-ZIAGYGMSSA-N -1 1 327.388 2.182 20 0 EEADMM Cn1nccc1[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001608164292 1351638845 /nfs/dbraw/zinc/63/88/45/1351638845.db2.gz HRSWEHTXNSNLDI-HNNXBMFYSA-N -1 1 345.399 2.291 20 0 EEADMM CCC(CC)(NC(=O)Cc1c[nH]c2ccc(OC)cc12)c1nn[n-]n1 ZINC001623441690 1352397174 /nfs/dbraw/zinc/39/71/74/1352397174.db2.gz ROFHMPHZZNUBOQ-UHFFFAOYSA-N -1 1 342.403 2.064 20 0 EEADMM O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([O-])cn1 ZINC001627181718 1352486248 /nfs/dbraw/zinc/48/62/48/1352486248.db2.gz JPBYJIOEHALMSW-UHFFFAOYSA-N -1 1 348.362 2.365 20 0 EEADMM Cc1ccc(N(Cc2cnn(C)c2)C(=O)C2=C([O-])C(C)N=N2)cc1 ZINC001637929755 1352682044 /nfs/dbraw/zinc/68/20/44/1352682044.db2.gz DOUWQQHKCINNOA-UHFFFAOYSA-N -1 1 325.372 2.313 20 0 EEADMM Cn1cc(CN2CCC([C@H](O)c3ccccc3)CC2)c(C(=O)[O-])n1 ZINC001646225981 1352822671 /nfs/dbraw/zinc/82/26/71/1352822671.db2.gz VRSQBDFCJKRLEM-QGZVFWFLSA-N -1 1 329.400 2.064 20 0 EEADMM O=C(NC[C@@H]1CCC[C@@H](O)C1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001647458271 1353285210 /nfs/dbraw/zinc/28/52/10/1353285210.db2.gz VWFLPXVXTMEDTL-IUODEOHRSA-N -1 1 330.388 2.251 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC001649359759 1353496435 /nfs/dbraw/zinc/49/64/35/1353496435.db2.gz MFSUWAHXPFYMRF-KYZUINATSA-N -1 1 342.342 2.456 20 0 EEADMM Cc1cn(CC(=O)NCCc2n[n-]c(=S)n2C)c2ccccc12 ZINC000067051532 1354089184 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O=S(=O)([N-]c1c(F)cccc1OC1COC1)c1ccsc1 ZINC001185392146 1368151420 /nfs/dbraw/zinc/15/14/20/1368151420.db2.gz LHTBKZCGYNKKJK-UHFFFAOYSA-N -1 1 329.374 2.466 20 0 EEADMM COc1ccnc(Br)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188575649 1368306277 /nfs/dbraw/zinc/30/62/77/1368306277.db2.gz ABOIHMHYLGSRFQ-UHFFFAOYSA-N -1 1 333.163 2.247 20 0 EEADMM CN1C(=O)NCc2cc(NC(=O)c3cc([O-])cnc3Cl)ccc21 ZINC001195306231 1368515939 /nfs/dbraw/zinc/51/59/39/1368515939.db2.gz QDICRUIXQRBLMR-UHFFFAOYSA-N -1 1 332.747 2.352 20 0 EEADMM Cn1cc2cccc(NS(=O)(=O)c3ccccc3C(=O)[O-])c2n1 ZINC001198780071 1368645462 /nfs/dbraw/zinc/64/54/62/1368645462.db2.gz ZXRZIBMEMRLALM-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM CCOc1nccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)n1 ZINC001199638468 1368689125 /nfs/dbraw/zinc/68/91/25/1368689125.db2.gz RVNHSCKDFIQTRO-UHFFFAOYSA-N -1 1 325.328 2.019 20 0 EEADMM CCc1cccc([N-]S(=O)(=O)Cc2ccc(C(=O)OC)cc2)n1 ZINC001201110011 1368781624 /nfs/dbraw/zinc/78/16/24/1368781624.db2.gz NJIKAWHYPGJHGQ-UHFFFAOYSA-N 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CSc1nc(=O)[n-]c(C)c1C(=O)NCc1nc2ccccc2o1 ZINC001141591549 1372897853 /nfs/dbraw/zinc/89/78/53/1372897853.db2.gz HMBPKAFCPZTEAD-UHFFFAOYSA-N -1 1 330.369 2.284 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1c([O-])cccc1F ZINC000848335183 1373134037 /nfs/dbraw/zinc/13/40/37/1373134037.db2.gz YOXRXFGVGPITIU-SECBINFHSA-N -1 1 348.296 2.062 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C1CCSCC1 ZINC000848340527 1373136471 /nfs/dbraw/zinc/13/64/71/1373136471.db2.gz GYPKFTBILSGKKW-MWLCHTKSSA-N -1 1 338.395 2.188 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1c(Cl)cccc1Cl ZINC001362040731 1373362568 /nfs/dbraw/zinc/36/25/68/1373362568.db2.gz PNJAOELHPPBDSR-UHFFFAOYSA-N -1 1 344.154 2.133 20 0 EEADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(S(C)(=O)=O)cc1 ZINC001362408495 1373402843 /nfs/dbraw/zinc/40/28/43/1373402843.db2.gz LXVOPNMDZGJODM-JTQLQIEISA-N -1 1 337.372 2.426 20 0 EEADMM CCc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC001362717435 1373454209 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CCCC[C@H](CC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001372241909 1375879002 /nfs/dbraw/zinc/87/90/02/1375879002.db2.gz CBOGHZHSRNOTRK-KBPBESRZSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001376385978 1378510788 /nfs/dbraw/zinc/51/07/88/1378510788.db2.gz QOSFCZKAAHZVIO-ZIAGYGMSSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cc(F)ccc1C(=O)N(C)[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001380689947 1381341194 /nfs/dbraw/zinc/34/11/94/1381341194.db2.gz AWCQYPWWDOTFHP-LBPRGKRZSA-N -1 1 345.374 2.125 20 0 EEADMM CC(C)c1cccc(C(=O)NCC2(NCc3n[nH]c(=O)[n-]3)CCC2)c1 ZINC001380894182 1381425062 /nfs/dbraw/zinc/42/50/62/1381425062.db2.gz OYPHXZLXRSMWIP-UHFFFAOYSA-N -1 1 343.431 2.076 20 0 EEADMM C[C@@H](CN(C)C(=O)CCCC1CCCCC1)NCc1n[nH]c(=O)[n-]1 ZINC001382147891 1382005199 /nfs/dbraw/zinc/00/51/99/1382005199.db2.gz AIKIOLABVAVLAM-ZDUSSCGKSA-N -1 1 337.468 2.197 20 0 EEADMM CCC1(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C)CC1 ZINC001383234924 1382408119 /nfs/dbraw/zinc/40/81/19/1382408119.db2.gz WJYIJVIDKILKDH-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM CCc1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ncccc2[O-])cc1 ZINC001383701723 1382647513 /nfs/dbraw/zinc/64/75/13/1382647513.db2.gz NCQSHLFKVUIAJU-ZDUSSCGKSA-N -1 1 341.411 2.240 20 0 EEADMM CCC(C)(C)CC(=O)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001385360424 1385501599 /nfs/dbraw/zinc/50/15/99/1385501599.db2.gz GELGLAISLDXFHZ-UHFFFAOYSA-N -1 1 333.432 2.334 20 0 EEADMM C[C@@H](CNC(=O)CCCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001387079447 1386484373 /nfs/dbraw/zinc/48/43/73/1386484373.db2.gz HVRGQWAJECTABW-AWEZNQCLSA-N -1 1 341.411 2.045 20 0 EEADMM CC(C)c1ccoc1C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001391249711 1389166635 /nfs/dbraw/zinc/16/66/35/1389166635.db2.gz UVUFXFDOUJAZOZ-GFCCVEGCSA-N -1 1 345.399 2.300 20 0 EEADMM O=C(NCC1(NC(=O)C2CCC3(CC3)CC2)CC1)c1ncccc1[O-] ZINC001393608568 1390492370 /nfs/dbraw/zinc/49/23/70/1390492370.db2.gz AFFZPNINIKGXGB-UHFFFAOYSA-N -1 1 343.427 2.136 20 0 EEADMM Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2ncccc2[O-])s1 ZINC001395519709 1390833007 /nfs/dbraw/zinc/83/30/07/1390833007.db2.gz PJZCEFFVTIUTGB-JTQLQIEISA-N -1 1 333.413 2.048 20 0 EEADMM C[C@H](NC(=O)C1(C)CC1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001396877612 1390984661 /nfs/dbraw/zinc/98/46/61/1390984661.db2.gz NFBFPNWRVVTLAO-STQMWFEESA-N -1 1 331.416 2.087 20 0 EEADMM CCC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001397194568 1391131491 /nfs/dbraw/zinc/13/14/91/1391131491.db2.gz NUWYTGXVGQBEBR-MGPQQGTHSA-N -1 1 333.432 2.237 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncccc1[O-] ZINC001397324006 1391168957 /nfs/dbraw/zinc/16/89/57/1391168957.db2.gz LANAMPROOLLJBK-UYHMYPTGSA-N -1 1 345.443 2.046 20 0 EEADMM CCC[C@@H](C)CC(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001397398647 1391200713 /nfs/dbraw/zinc/20/07/13/1391200713.db2.gz RBJKDFDQMNTXNE-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM CCC(C)(C)CC(=O)N[C@@H](C)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001400203071 1396048816 /nfs/dbraw/zinc/04/88/16/1396048816.db2.gz HEDALIKXVFJULG-NSHDSACASA-N -1 1 348.447 2.120 20 0 EEADMM CCc1ccc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CC2)s1 ZINC001400604713 1396460948 /nfs/dbraw/zinc/46/09/48/1396460948.db2.gz BETKCUNCIQRHBS-UHFFFAOYSA-N -1 1 345.424 2.104 20 0 EEADMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC(F)F)cc1Cl ZINC001424874690 1401268668 /nfs/dbraw/zinc/26/86/68/1401268668.db2.gz FVTYDVKUBWUEKL-UHFFFAOYSA-N -1 1 344.742 2.371 20 0 EEADMM C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001426216412 1401963425 /nfs/dbraw/zinc/96/34/25/1401963425.db2.gz ILEHMLVXUOTXNU-GHMZBOCLSA-N -1 1 333.413 2.176 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H](C)C1CCCC1 ZINC001426612757 1402118519 /nfs/dbraw/zinc/11/85/19/1402118519.db2.gz AQBIDWCNNKXGKQ-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCN(CC[C@@H]3CCC[C@H](C)C3)CC2)c1[O-] ZINC001433417710 1403393270 /nfs/dbraw/zinc/39/32/70/1403393270.db2.gz BFMXZZQMKXIWHN-ZFWWWQNUSA-N -1 1 334.464 2.398 20 0 EEADMM CCc1c(NC(=O)c2cncc([O-])c2)nnn1Cc1ccc(F)cc1 ZINC001570069084 1403509701 /nfs/dbraw/zinc/50/97/01/1403509701.db2.gz MPXWNVQQKBSPGL-UHFFFAOYSA-N -1 1 341.346 2.381 20 0 EEADMM CCC(=O)N(C)c1ccc(NCc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001576412772 1403573424 /nfs/dbraw/zinc/57/34/24/1403573424.db2.gz YLJJQOBXRRHNPE-UHFFFAOYSA-N -1 1 337.387 2.247 20 0 EEADMM CCC(=O)N(C)c1ccc(NCc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001576412772 1403573429 /nfs/dbraw/zinc/57/34/29/1403573429.db2.gz YLJJQOBXRRHNPE-UHFFFAOYSA-N -1 1 337.387 2.247 20 0 EEADMM CCCC(=O)N[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577210200 1403626051 /nfs/dbraw/zinc/62/60/51/1403626051.db2.gz DHMDJQLLRBMCED-GHMZBOCLSA-N -1 1 349.464 2.271 20 0 EEADMM CCCC[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(C)=O ZINC001577484295 1403656320 /nfs/dbraw/zinc/65/63/20/1403656320.db2.gz QTPZUJQMNXUJEF-MRVPVSSYSA-N -1 1 343.844 2.083 20 0 EEADMM CCCC[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(C)=O ZINC001577484295 1403656323 /nfs/dbraw/zinc/65/63/23/1403656323.db2.gz QTPZUJQMNXUJEF-MRVPVSSYSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(C)n2)C1(C)C ZINC001577514340 1403660897 /nfs/dbraw/zinc/66/08/97/1403660897.db2.gz HFKYQOGOXBBGMI-QWHCGFSZSA-N -1 1 331.424 2.361 20 0 EEADMM CCCCO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(C)n2)C1(C)C ZINC001577514340 1403660901 /nfs/dbraw/zinc/66/09/01/1403660901.db2.gz HFKYQOGOXBBGMI-QWHCGFSZSA-N -1 1 331.424 2.361 20 0 EEADMM COc1ncc(NC(=O)[C@@H](C)c2ccsc2)cc1-c1nn[n-]n1 ZINC001580130172 1403831551 /nfs/dbraw/zinc/83/15/51/1403831551.db2.gz JXCUOYVEVWOAFF-QMMMGPOBSA-N -1 1 330.373 2.074 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ccccc1C(F)F ZINC001580608712 1403863340 /nfs/dbraw/zinc/86/33/40/1403863340.db2.gz HXNLKEIHNRBGDK-UHFFFAOYSA-N -1 1 346.297 2.466 20 0 EEADMM CC[C@H]1[C@H](C)CCN1c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590502073 1403880940 /nfs/dbraw/zinc/88/09/40/1403880940.db2.gz JGKCONZEPPKGEE-PWSUYJOCSA-N -1 1 342.407 2.363 20 0 EEADMM CC[C@H]1[C@H](C)CCN1c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590502073 1403880946 /nfs/dbraw/zinc/88/09/46/1403880946.db2.gz JGKCONZEPPKGEE-PWSUYJOCSA-N -1 1 342.407 2.363 20 0 EEADMM CCC1(c2noc(Cc3ccc(-c4nnn[n-]4)nc3)n2)CCCC1 ZINC001590500249 1403881722 /nfs/dbraw/zinc/88/17/22/1403881722.db2.gz PETLPWUNADYKJK-UHFFFAOYSA-N -1 1 325.376 2.457 20 0 EEADMM CCC1(c2noc(Cc3ccc(-c4nn[n-]n4)nc3)n2)CCCC1 ZINC001590500249 1403881725 /nfs/dbraw/zinc/88/17/25/1403881725.db2.gz PETLPWUNADYKJK-UHFFFAOYSA-N -1 1 325.376 2.457 20 0 EEADMM CCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001590748041 1403893269 /nfs/dbraw/zinc/89/32/69/1403893269.db2.gz ZDPKGTGEKOBGKZ-UHFFFAOYSA-N -1 1 342.334 2.396 20 0 EEADMM COCCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@H]1CC[C@@H](C)C1 ZINC001591420775 1403910257 /nfs/dbraw/zinc/91/02/57/1403910257.db2.gz HMHRTVAHBNACKT-PWSUYJOCSA-N -1 1 335.433 2.205 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC001591889580 1403969797 /nfs/dbraw/zinc/96/97/97/1403969797.db2.gz SXRXUVJTQMDUHG-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](Cc3ccccc3)C2)n1 ZINC001591889580 1403969805 /nfs/dbraw/zinc/96/98/05/1403969805.db2.gz SXRXUVJTQMDUHG-OAHLLOKOSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2OCCc3ccccc32)n1 ZINC001591895556 1403970216 /nfs/dbraw/zinc/97/02/16/1403970216.db2.gz PUYNKQIRGXNSJH-HNNXBMFYSA-N -1 1 337.387 2.081 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2OCCc3ccccc32)n1 ZINC001591895556 1403970225 /nfs/dbraw/zinc/97/02/25/1403970225.db2.gz PUYNKQIRGXNSJH-HNNXBMFYSA-N -1 1 337.387 2.081 20 0 EEADMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001592137411 1404004305 /nfs/dbraw/zinc/00/43/05/1404004305.db2.gz HEXOWKOWWAJCJN-QMTHXVAHSA-N -1 1 343.412 2.089 20 0 EEADMM Cc1ccc(C)c(Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)c1 ZINC001592141119 1404005364 /nfs/dbraw/zinc/00/53/64/1404005364.db2.gz WUOCNKYJSRDNHE-UHFFFAOYSA-N -1 1 349.394 2.213 20 0 EEADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)n(C)n1 ZINC001592245870 1404014188 /nfs/dbraw/zinc/01/41/88/1404014188.db2.gz BZOGLVKIGYFVTL-UHFFFAOYSA-N -1 1 349.354 2.421 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC001592498802 1404702937 /nfs/dbraw/zinc/70/29/37/1404702937.db2.gz FMZXPGFYSMLVQE-UHFFFAOYSA-N -1 1 335.367 2.456 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC001592498802 1404702946 /nfs/dbraw/zinc/70/29/46/1404702946.db2.gz FMZXPGFYSMLVQE-UHFFFAOYSA-N -1 1 335.367 2.456 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001592499585 1404703727 /nfs/dbraw/zinc/70/37/27/1404703727.db2.gz PKIJYCLSOUQKRH-JOYOIKCWSA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001592499585 1404703729 /nfs/dbraw/zinc/70/37/29/1404703729.db2.gz PKIJYCLSOUQKRH-JOYOIKCWSA-N -1 1 345.309 2.332 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001592499695 1404703813 /nfs/dbraw/zinc/70/38/13/1404703813.db2.gz QBPXWZHLQMZAJN-CYBMUJFWSA-N -1 1 333.392 2.045 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@H](C(C)(C)C)CC1 ZINC001592499695 1404703817 /nfs/dbraw/zinc/70/38/17/1404703817.db2.gz QBPXWZHLQMZAJN-CYBMUJFWSA-N -1 1 333.392 2.045 20 0 EEADMM Cc1nsc(NCc2cccc3c2OCCCO3)c1-c1nn[n-]n1 ZINC001592493071 1404704110 /nfs/dbraw/zinc/70/41/10/1404704110.db2.gz HUQVWJCAPPFWCC-UHFFFAOYSA-N -1 1 344.400 2.405 20 0 EEADMM Cc1nc(-c2nnn[n-]2)cc(N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001606019506 1404756657 /nfs/dbraw/zinc/75/66/57/1404756657.db2.gz GCJHAMYRVYODSI-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM Cc1nc(-c2nn[n-]n2)cc(N(C)Cc2ccc(Cl)c(F)c2)n1 ZINC001606019506 1404756660 /nfs/dbraw/zinc/75/66/60/1404756660.db2.gz GCJHAMYRVYODSI-UHFFFAOYSA-N -1 1 333.758 2.394 20 0 EEADMM Cc1nn(-c2ccccc2)cc1Nc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001606078464 1404762918 /nfs/dbraw/zinc/76/29/18/1404762918.db2.gz IIWCDYSWMGQXFP-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nn(-c2ccccc2)cc1Nc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001606078464 1404762921 /nfs/dbraw/zinc/76/29/21/1404762921.db2.gz IIWCDYSWMGQXFP-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nsc(N2C[C@]34COC[C@@]3(C2)CCCC4)c1-c1nn[n-]n1 ZINC001606142774 1404767629 /nfs/dbraw/zinc/76/76/29/1404767629.db2.gz IYHWYYIEJVYXFZ-GASCZTMLSA-N -1 1 332.433 2.029 20 0 EEADMM Clc1ccc(NC[C@@H]2C[C@H]2C2CCOCC2)nc1-c1nnn[n-]1 ZINC001606193821 1404776344 /nfs/dbraw/zinc/77/63/44/1404776344.db2.gz YULGYLGXMAINNO-QWRGUYRKSA-N -1 1 334.811 2.390 20 0 EEADMM Clc1ccc(NC[C@@H]2C[C@H]2C2CCOCC2)nc1-c1nn[n-]n1 ZINC001606193821 1404776351 /nfs/dbraw/zinc/77/63/51/1404776351.db2.gz YULGYLGXMAINNO-QWRGUYRKSA-N -1 1 334.811 2.390 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(Cl)ccc2C)co1 ZINC000189706532 1406106479 /nfs/dbraw/zinc/10/64/79/1406106479.db2.gz HKPIPHBAYMMSMO-UHFFFAOYSA-N -1 1 342.804 2.080 20 0 EEADMM O=C(NCCCN(CC1CCCC1)C(=O)c1ncccc1[O-])C1CC1 ZINC001756930434 1409519868 /nfs/dbraw/zinc/51/98/68/1409519868.db2.gz AQPMRKMFNPDEOC-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CCO)cc2)cc1F ZINC000315702547 1409833540 /nfs/dbraw/zinc/83/35/40/1409833540.db2.gz DXZQNYWRWYZHSU-UHFFFAOYSA-N -1 1 325.361 2.170 20 0 EEADMM C[C@H](COc1ccccc1F)NC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001771702463 1409920562 /nfs/dbraw/zinc/92/05/62/1409920562.db2.gz PMKCBKNUUKDKMG-LLVKDONJSA-N -1 1 343.362 2.070 20 0 EEADMM Nc1nc(CC(=O)c2ccccc2)nn1-c1cccc([O-])c1Cl ZINC001210855500 758173444 /nfs/dbraw/zinc/17/34/44/758173444.db2.gz RQEREBCTIUNWML-UHFFFAOYSA-N -1 1 328.759 2.464 20 0 EEADMM CC(C)(C)[C@H](CNc1ncncc1Cl)NC(=O)c1ncccc1[O-] ZINC001125856723 764968096 /nfs/dbraw/zinc/96/80/96/764968096.db2.gz FGABCQCMWSOBMF-LBPRGKRZSA-N -1 1 349.822 2.487 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979674740 770831652 /nfs/dbraw/zinc/83/16/52/770831652.db2.gz SGOFLIPEJXDFIY-MGPQQGTHSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)s1 ZINC000979690267 770847790 /nfs/dbraw/zinc/84/77/90/770847790.db2.gz UBXRBDNUKNGSAM-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000942756857 783142436 /nfs/dbraw/zinc/14/24/36/783142436.db2.gz RWWDLOQOAPTMMR-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc([O-])cc2F)c1C ZINC000181057006 775285283 /nfs/dbraw/zinc/28/52/83/775285283.db2.gz IBKFUMOZYVCXJV-LBPRGKRZSA-N -1 1 346.358 2.377 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC000939161839 775751342 /nfs/dbraw/zinc/75/13/42/775751342.db2.gz TYJIENYSHZQQCK-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)C1)c1ncccc1[O-] ZINC000981207976 776792462 /nfs/dbraw/zinc/79/24/62/776792462.db2.gz RCTNFARYOBFTCW-DZGCQCFKSA-N -1 1 345.443 2.382 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000939538591 776805973 /nfs/dbraw/zinc/80/59/73/776805973.db2.gz IPRXREDCBHCZDS-PJIJBLCYSA-N -1 1 343.427 2.040 20 0 EEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1 ZINC001144939370 790538075 /nfs/dbraw/zinc/53/80/75/790538075.db2.gz XISZHLWDBNULAM-UHFFFAOYSA-N -1 1 340.339 2.030 20 0 EEADMM COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc1 ZINC001144939370 790538083 /nfs/dbraw/zinc/53/80/83/790538083.db2.gz XISZHLWDBNULAM-UHFFFAOYSA-N -1 1 340.339 2.030 20 0 EEADMM O=C(CCC1CCCC1)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982393784 779983137 /nfs/dbraw/zinc/98/31/37/779983137.db2.gz SYABCVLXOPNKJZ-OAHLLOKOSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)n1c(CNC(=O)c2cc3ccccc3c(=O)[nH]2)n[n-]c1=S ZINC000067071974 780331324 /nfs/dbraw/zinc/33/13/24/780331324.db2.gz OPVZRHSSUUSYHL-UHFFFAOYSA-N -1 1 343.412 2.293 20 0 EEADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-])C1CC1 ZINC000936960040 780596191 /nfs/dbraw/zinc/59/61/91/780596191.db2.gz PBZHQJWDEYYQIC-KBPBESRZSA-N -1 1 343.427 2.039 20 0 EEADMM Cc1cscc1C(=O)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088290610 783386635 /nfs/dbraw/zinc/38/66/35/783386635.db2.gz OQACOQBGBRMILL-LBPRGKRZSA-N -1 1 349.460 2.055 20 0 EEADMM Cc1ncoc1C[NH2+][C@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC001088301607 783429405 /nfs/dbraw/zinc/42/94/05/783429405.db2.gz DHEQNLJNCTUDPH-AWEZNQCLSA-N -1 1 344.415 2.258 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)c1cccs1 ZINC000945275360 783746321 /nfs/dbraw/zinc/74/63/21/783746321.db2.gz AERRYTFUOXDIJA-NWDGAFQWSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@H](Nc1ncc(F)cn1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001061840605 783759180 /nfs/dbraw/zinc/75/91/80/783759180.db2.gz RUJLEWZOLPEGDU-NSHDSACASA-N -1 1 345.378 2.069 20 0 EEADMM O=C(c1ccc([O-])cc1)C1CCN(Cc2cn(C3CC3)nn2)CC1 ZINC000906276250 783798235 /nfs/dbraw/zinc/79/82/35/783798235.db2.gz MMCRLGBZFPELPS-UHFFFAOYSA-N -1 1 326.400 2.414 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000945337507 783869653 /nfs/dbraw/zinc/86/96/53/783869653.db2.gz MFBNHFWWIVICCM-KBPBESRZSA-N -1 1 347.459 2.436 20 0 EEADMM CCSc1ccc(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000907473835 784642135 /nfs/dbraw/zinc/64/21/35/784642135.db2.gz HCTOLWHMWIQYCI-CYBMUJFWSA-N -1 1 349.485 2.171 20 0 EEADMM O=C(c1cc2sccc2c(O)c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907476111 784644656 /nfs/dbraw/zinc/64/46/56/784644656.db2.gz BTRNTLYZSWUTRP-SNVBAGLBSA-N -1 1 347.425 2.050 20 0 EEADMM COc1ccc(Cl)cc1N1C[C@H](C(=O)[N-]OCC2CC2)CC1=O ZINC000817349927 784689267 /nfs/dbraw/zinc/68/92/67/784689267.db2.gz MPZDCGNBWFPKIT-LLVKDONJSA-N -1 1 338.791 2.159 20 0 EEADMM CC(C)=CC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ncccc1[O-] ZINC000945718670 784712958 /nfs/dbraw/zinc/71/29/58/784712958.db2.gz OLSGZQSZRQMXFN-UONOGXRCSA-N -1 1 331.416 2.110 20 0 EEADMM O=C([C@H]1CCOC2(CCCC2)C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000908012249 785019623 /nfs/dbraw/zinc/01/96/23/785019623.db2.gz WYKIDICUXQJXQU-ZDUSSCGKSA-N -1 1 335.404 2.221 20 0 EEADMM CC(C)C[C@H](CNC(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818625894 785307569 /nfs/dbraw/zinc/30/75/69/785307569.db2.gz XXTHGUHSCQNLSM-CYBMUJFWSA-N -1 1 345.403 2.018 20 0 EEADMM CC(C)C[C@H](CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000818625894 785307579 /nfs/dbraw/zinc/30/75/79/785307579.db2.gz XXTHGUHSCQNLSM-CYBMUJFWSA-N -1 1 345.403 2.018 20 0 EEADMM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000908375428 785366864 /nfs/dbraw/zinc/36/68/64/785366864.db2.gz KLOHCQXKFMTFPG-IXDOHACOSA-N -1 1 330.428 2.411 20 0 EEADMM CN(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cn1 ZINC000908607782 785561615 /nfs/dbraw/zinc/56/16/15/785561615.db2.gz FUTNFCPKDOGAJJ-INIZCTEOSA-N -1 1 345.374 2.228 20 0 EEADMM CCN(CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccccc1 ZINC000819965899 785722218 /nfs/dbraw/zinc/72/22/18/785722218.db2.gz HYJKXABJGSRFCA-CYBMUJFWSA-N -1 1 330.388 2.008 20 0 EEADMM CCCCCCO[C@@H](C)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000819966838 785722325 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XPKNXCBQNAXCPH-UHFFFAOYSA-N -1 1 343.431 2.498 20 0 EEADMM C[C@@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(Cl)s1 ZINC000913743925 794206315 /nfs/dbraw/zinc/20/63/15/794206315.db2.gz RNQXDJKQEBCGQX-MRVPVSSYSA-N -1 1 325.825 2.424 20 0 EEADMM O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743805 794206384 /nfs/dbraw/zinc/20/63/84/794206384.db2.gz MGROMYSSEPDJRL-UHFFFAOYSA-N -1 1 343.284 2.377 20 0 EEADMM O=C(c1ccc(C2CCOCC2)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913746989 794223939 /nfs/dbraw/zinc/22/39/39/794223939.db2.gz NMWHOZSKOSBXQM-UHFFFAOYSA-N -1 1 341.415 2.114 20 0 EEADMM CC(C)c1ccccc1C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC000999305281 794257288 /nfs/dbraw/zinc/25/72/88/794257288.db2.gz RFPFUDZAIGNMNJ-CYBMUJFWSA-N -1 1 343.431 2.028 20 0 EEADMM CCOC(=O)c1cc([O-])c(Br)c(OC[C@H]2CCO2)c1 ZINC001234062422 794355439 /nfs/dbraw/zinc/35/54/39/794355439.db2.gz CGUDYMJTDUOAQK-SECBINFHSA-N -1 1 331.162 2.499 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535652 795584648 /nfs/dbraw/zinc/58/46/48/795584648.db2.gz GHQVAVYFAJKNIQ-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(NCCNc1nc2ccccc2o1)c1cnc(C2CC2)[n-]c1=O ZINC001094157215 795970206 /nfs/dbraw/zinc/97/02/06/795970206.db2.gz JLMLYFPOZKPSEQ-UHFFFAOYSA-N -1 1 339.355 2.043 20 0 EEADMM Cc1cc(C(=O)N(C)C)ccc1Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001212728730 797455132 /nfs/dbraw/zinc/45/51/32/797455132.db2.gz FTPUSPCRXLNRKK-UHFFFAOYSA-N -1 1 344.375 2.400 20 0 EEADMM Cn1ncc2c1cccc2Nc1cc(S(=O)(=O)C(N)=O)ccc1[O-] ZINC001175438891 798109748 /nfs/dbraw/zinc/10/97/48/798109748.db2.gz HFKZVRCLRGQNJD-UHFFFAOYSA-N -1 1 346.368 2.289 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1OC ZINC000917716890 798326279 /nfs/dbraw/zinc/32/62/79/798326279.db2.gz GLHLGUIEVSUKAK-UHFFFAOYSA-N -1 1 349.364 2.175 20 0 EEADMM CC1(C)CCCC[C@@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001002671731 798404518 /nfs/dbraw/zinc/40/45/18/798404518.db2.gz VAGFOXRAXGHFMB-CQSZACIVSA-N -1 1 345.443 2.192 20 0 EEADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc3c(c2)CC(=O)N3)c1 ZINC001176427626 798445922 /nfs/dbraw/zinc/44/59/22/798445922.db2.gz AERPGZXFSDDRPN-UHFFFAOYSA-N -1 1 332.381 2.424 20 0 EEADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(C)C ZINC000921975764 798508303 /nfs/dbraw/zinc/50/83/03/798508303.db2.gz UTARGTXGXOTVJJ-GFCCVEGCSA-N -1 1 337.800 2.096 20 0 EEADMM COc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1OC1COC1 ZINC001212480680 798856675 /nfs/dbraw/zinc/85/66/75/798856675.db2.gz CJJUWOPKNOIXIJ-UHFFFAOYSA-N -1 1 341.323 2.290 20 0 EEADMM CCCCCC(=O)N1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001066077092 799973394 /nfs/dbraw/zinc/97/33/94/799973394.db2.gz JGLLBBNKIOUADB-CQSZACIVSA-N -1 1 333.432 2.478 20 0 EEADMM CC(C)c1nsc(N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])n1 ZINC001061343777 800435490 /nfs/dbraw/zinc/43/54/90/800435490.db2.gz MHXPUEZRNLJDDW-LLVKDONJSA-N -1 1 347.444 2.161 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)CC1 ZINC001085400515 800457973 /nfs/dbraw/zinc/45/79/73/800457973.db2.gz RNAZWDWDIUEVGM-KBUPBQIOSA-N -1 1 349.479 2.244 20 0 EEADMM CC(C)[C@H](CNC(=O)c1c([O-])cccc1Cl)N1CCOCC1 ZINC000144758559 800479115 /nfs/dbraw/zinc/47/91/15/800479115.db2.gz AEJLQJFAGNZJDV-ZDUSSCGKSA-N -1 1 326.824 2.132 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2[C@H](C)c2ccccc2)c1[O-] ZINC001085544416 800742741 /nfs/dbraw/zinc/74/27/41/800742741.db2.gz PUEZKGVXTPUXGI-UKRRQHHQSA-N -1 1 328.416 2.331 20 0 EEADMM C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCC[P@](=O)([O-])O ZINC001181781705 800902221 /nfs/dbraw/zinc/90/22/21/800902221.db2.gz DHBDLJRZQPFPHG-JTQLQIEISA-N -1 1 335.724 2.181 20 0 EEADMM Cc1nsc(NCCCC[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001090079701 801238037 /nfs/dbraw/zinc/23/80/37/801238037.db2.gz KURJJRBHRDRXCX-SNVBAGLBSA-N -1 1 335.433 2.348 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)OC(=O)c2ccccc2)n1 ZINC001182718680 801304442 /nfs/dbraw/zinc/30/44/42/801304442.db2.gz IDGBCAKXCOATBB-UHFFFAOYSA-N -1 1 345.355 2.161 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@H]1C[C@]12CCCOC2 ZINC001183688441 801699587 /nfs/dbraw/zinc/69/95/87/801699587.db2.gz YKOVIICNSIXCOH-OQPBUACISA-N -1 1 327.178 2.305 20 0 EEADMM Cc1nc(CNC(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)n[nH]1 ZINC001184118236 801898273 /nfs/dbraw/zinc/89/82/73/801898273.db2.gz CMTXSIRKQANAOJ-UHFFFAOYSA-N -1 1 348.790 2.005 20 0 EEADMM Cc1cccc(C2([N-]S(=O)(=O)c3cccnc3Cl)COC2)c1 ZINC001184889725 802228341 /nfs/dbraw/zinc/22/83/41/802228341.db2.gz YGLNKYKSAHSHHS-UHFFFAOYSA-N -1 1 338.816 2.247 20 0 EEADMM Cc1nccc(C(F)(F)F)c1C(=O)NCCCC[P@](=O)([O-])O ZINC001185061835 802309166 /nfs/dbraw/zinc/30/91/66/802309166.db2.gz VWGDCMVSPQGDPV-UHFFFAOYSA-N -1 1 340.238 2.097 20 0 EEADMM Cc1csc(C(=O)N2CCCC[C@H]2[C@@H](C)NCc2n[nH]c(=O)[n-]2)c1 ZINC001004836019 803018928 /nfs/dbraw/zinc/01/89/28/803018928.db2.gz SUADGJIRYQPWDB-NEPJUHHUSA-N -1 1 349.460 2.053 20 0 EEADMM Cc1cccc2nc(N(C)C[C@@H](C)NC(=O)c3ncccc3[O-])oc21 ZINC001108933087 804702842 /nfs/dbraw/zinc/70/28/42/804702842.db2.gz IUIJMRFMHKOUMS-GFCCVEGCSA-N -1 1 340.383 2.492 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H](C)Nc1cnc2ccccc2n1 ZINC001112984084 807764506 /nfs/dbraw/zinc/76/45/06/807764506.db2.gz SIODGIFHXXZEFV-RYUDHWBXSA-N -1 1 337.383 2.349 20 0 EEADMM CCc1cc(C)nc(N[C@H](C)[C@@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112983117 807786526 /nfs/dbraw/zinc/78/65/26/807786526.db2.gz GAXYUUSSZLDFAL-VXGBXAGGSA-N -1 1 329.404 2.067 20 0 EEADMM CCc1ccccc1OCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000791011598 809024836 /nfs/dbraw/zinc/02/48/36/809024836.db2.gz VPSBHQSFHBHQRV-UHFFFAOYSA-N -1 1 341.363 2.128 20 0 EEADMM CC(=O)Nc1cc(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1C ZINC000791087069 809048643 /nfs/dbraw/zinc/04/86/43/809048643.db2.gz BQIKKPMZOWZKCE-UHFFFAOYSA-N -1 1 338.371 2.253 20 0 EEADMM COc1ccc(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000791088861 809049873 /nfs/dbraw/zinc/04/98/73/809049873.db2.gz JUMNALNTVYXWHH-UHFFFAOYSA-N -1 1 325.372 2.014 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ccc3c(c2)C2(CN3)CCOCC2)[n-]1 ZINC001170234064 809832870 /nfs/dbraw/zinc/83/28/70/809832870.db2.gz PRTUTNWKAFLDSJ-UHFFFAOYSA-N -1 1 338.371 2.276 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2cc(OCc3ccccc3)ncn2)[n-]1 ZINC001170227285 809845567 /nfs/dbraw/zinc/84/55/67/809845567.db2.gz KMUPLZQCBPARFU-UHFFFAOYSA-N -1 1 335.327 2.171 20 0 EEADMM CO[C@@H](C(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O)C(C)C ZINC000806019067 811708824 /nfs/dbraw/zinc/70/88/24/811708824.db2.gz IDWZJBOTNDCSGP-OAHLLOKOSA-N -1 1 345.399 2.309 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)NCCCOc3ccccc3F)ccnc1-2 ZINC000806480618 811892099 /nfs/dbraw/zinc/89/20/99/811892099.db2.gz RKKCYBVWLHHPIC-UHFFFAOYSA-N -1 1 343.362 2.072 20 0 EEADMM Brc1csc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001573280155 946656988 /nfs/dbraw/zinc/65/69/88/946656988.db2.gz NVLLBELAJCRRRV-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1csc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001573280155 946656994 /nfs/dbraw/zinc/65/69/94/946656994.db2.gz NVLLBELAJCRRRV-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1scnc1COc1cccnc1-c1nnn[n-]1 ZINC001573280295 946658581 /nfs/dbraw/zinc/65/85/81/946658581.db2.gz OLQPWPQODPGPRC-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM Brc1scnc1COc1cccnc1-c1nn[n-]n1 ZINC001573280295 946658583 /nfs/dbraw/zinc/65/85/83/946658583.db2.gz OLQPWPQODPGPRC-UHFFFAOYSA-N -1 1 339.178 2.060 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000326090981 971265420 /nfs/dbraw/zinc/26/54/20/971265420.db2.gz SQVADYPKVFMGHV-IXBGWNDUSA-N -1 1 329.352 2.184 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000326090981 971265423 /nfs/dbraw/zinc/26/54/23/971265423.db2.gz SQVADYPKVFMGHV-IXBGWNDUSA-N -1 1 329.352 2.184 20 0 EEADMM CC(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cs1 ZINC001573554569 946902764 /nfs/dbraw/zinc/90/27/64/946902764.db2.gz XPACNNJOGNQLGD-UHFFFAOYSA-N -1 1 333.398 2.122 20 0 EEADMM CCOc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000825643065 947269108 /nfs/dbraw/zinc/26/91/08/947269108.db2.gz HJFLLBMCAGQGAC-UHFFFAOYSA-N -1 1 342.359 2.051 20 0 EEADMM CCOc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000825643065 947269118 /nfs/dbraw/zinc/26/91/18/947269118.db2.gz HJFLLBMCAGQGAC-UHFFFAOYSA-N -1 1 342.359 2.051 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc3ccc(C)nc32)c1-c1nnn[n-]1 ZINC000826295048 947856447 /nfs/dbraw/zinc/85/64/47/947856447.db2.gz OJFUFZZOIMYSIR-UHFFFAOYSA-N -1 1 349.354 2.201 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc3ccc(C)nc32)c1-c1nn[n-]n1 ZINC000826295048 947856455 /nfs/dbraw/zinc/85/64/55/947856455.db2.gz OJFUFZZOIMYSIR-UHFFFAOYSA-N -1 1 349.354 2.201 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826343796 947995354 /nfs/dbraw/zinc/99/53/54/947995354.db2.gz NMUKUBBIWXISPA-VHRBIJSZSA-N -1 1 344.419 2.133 20 0 EEADMM Cc1onc(CC(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826343796 947995360 /nfs/dbraw/zinc/99/53/60/947995360.db2.gz NMUKUBBIWXISPA-VHRBIJSZSA-N -1 1 344.419 2.133 20 0 EEADMM c1cc(-c2nnn[n-]2)oc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000826519519 948447466 /nfs/dbraw/zinc/44/74/66/948447466.db2.gz BPIPXPORDBNMRQ-UHFFFAOYSA-N -1 1 347.382 2.204 20 0 EEADMM c1cc(-c2nn[n-]n2)oc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000826519519 948447469 /nfs/dbraw/zinc/44/74/69/948447469.db2.gz BPIPXPORDBNMRQ-UHFFFAOYSA-N -1 1 347.382 2.204 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001570926341 948686937 /nfs/dbraw/zinc/68/69/37/948686937.db2.gz UUCKNQYMYWSTGG-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001570926341 948686940 /nfs/dbraw/zinc/68/69/40/948686940.db2.gz UUCKNQYMYWSTGG-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1C(F)F ZINC001570927707 948717178 /nfs/dbraw/zinc/71/71/78/948717178.db2.gz JCCIURWPRCBXAE-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1C(F)F ZINC001570927707 948717184 /nfs/dbraw/zinc/71/71/84/948717184.db2.gz JCCIURWPRCBXAE-UHFFFAOYSA-N -1 1 330.298 2.129 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1CCCc1ccsc1)CCC2 ZINC001570927961 948722598 /nfs/dbraw/zinc/72/25/98/948722598.db2.gz YNTVVYAJYYTTNC-UHFFFAOYSA-N -1 1 327.413 2.211 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001570936008 949008770 /nfs/dbraw/zinc/00/87/70/949008770.db2.gz STSJIKUCKOMZTP-YPMHNXCESA-N -1 1 339.334 2.078 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001570936008 949008783 /nfs/dbraw/zinc/00/87/83/949008783.db2.gz STSJIKUCKOMZTP-YPMHNXCESA-N -1 1 339.334 2.078 20 0 EEADMM C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575515907 949200660 /nfs/dbraw/zinc/20/06/60/949200660.db2.gz MUTKMUUROSYWSZ-SNVBAGLBSA-N -1 1 343.416 2.226 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)CC=Cc2ccc(F)cc2)nn1C ZINC001570941384 949222083 /nfs/dbraw/zinc/22/20/83/949222083.db2.gz USXISGWFXYCYRI-ARJAWSKDSA-N -1 1 341.350 2.090 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)CC=Cc2ccc(F)cc2)nn1C ZINC001570941384 949222101 /nfs/dbraw/zinc/22/21/01/949222101.db2.gz USXISGWFXYCYRI-ARJAWSKDSA-N -1 1 341.350 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/nfs/dbraw/zinc/76/18/80/485761880.db2.gz SNNSOSBPJZKPAB-LBPRGKRZSA-N -1 1 330.431 2.160 20 0 EEADMM Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ccc(C)cn3)n2)cc1 ZINC000671194450 485775894 /nfs/dbraw/zinc/77/58/94/485775894.db2.gz RSXWFJPCJAINER-UHFFFAOYSA-N -1 1 328.397 2.457 20 0 EEADMM Cc1ccc(-c2nc(S(=O)(=O)Cc3ccc(C)cn3)n[n-]2)cc1 ZINC000671194450 485775899 /nfs/dbraw/zinc/77/58/99/485775899.db2.gz RSXWFJPCJAINER-UHFFFAOYSA-N -1 1 328.397 2.457 20 0 EEADMM c1ccc(-c2nc(=NCc3nc(C4CCOCC4)n[nH]3)s[n-]2)cc1 ZINC000631460626 485804342 /nfs/dbraw/zinc/80/43/42/485804342.db2.gz WNAMMLKGTJRRMD-UHFFFAOYSA-N -1 1 342.428 2.251 20 0 EEADMM c1ccc(-c2nc(=NCc3n[nH]c(C4CCOCC4)n3)s[n-]2)cc1 ZINC000631460626 485804345 /nfs/dbraw/zinc/80/43/45/485804345.db2.gz WNAMMLKGTJRRMD-UHFFFAOYSA-N -1 1 342.428 2.251 20 0 EEADMM CCC[C@@H](NC(=O)c1csc(Nc2ccccn2)n1)c1nn[n-]n1 ZINC000675144283 485910375 /nfs/dbraw/zinc/91/03/75/485910375.db2.gz KUBXORGXHUMYBU-SECBINFHSA-N -1 1 344.404 2.066 20 0 EEADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCCO3)no2)o1 ZINC000680767844 486048043 /nfs/dbraw/zinc/04/80/43/486048043.db2.gz JTDWCXZAJVHADX-SECBINFHSA-N -1 1 341.389 2.258 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676232463 486179088 /nfs/dbraw/zinc/17/90/88/486179088.db2.gz COFJXPPQGBCEPR-QWRGUYRKSA-N -1 1 325.796 2.249 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000683262286 486635219 /nfs/dbraw/zinc/63/52/19/486635219.db2.gz QRBDLBDGHWEETD-LLVKDONJSA-N -1 1 347.787 2.003 20 0 EEADMM COc1cccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000292564758 500857536 /nfs/dbraw/zinc/85/75/36/500857536.db2.gz OAHCXWCVCRAJFJ-ZWNOBZJWSA-N -1 1 344.333 2.367 20 0 EEADMM C[C@H](CN(C)C(=O)c1cc(-c2cccc(Cl)c2)on1)c1nn[n-]n1 ZINC000183442580 534015186 /nfs/dbraw/zinc/01/51/86/534015186.db2.gz BAIXWVBIPWQVFF-SECBINFHSA-N -1 1 346.778 2.384 20 0 EEADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cncc([O-])c2)C1(C)C ZINC000495978271 534850272 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COC(=O)[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cc(F)ccc1F ZINC000769753012 577583575 /nfs/dbraw/zinc/58/35/75/577583575.db2.gz LETSCBKVKZOYBH-AWEZNQCLSA-N -1 1 339.269 2.454 20 0 EEADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)cn1 ZINC000758172041 577617547 /nfs/dbraw/zinc/61/75/47/577617547.db2.gz YSZUNERCLIKHFA-OAHLLOKOSA-N -1 1 348.424 2.395 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2c(C)nn(C)c2C)c1 ZINC000758995576 577635114 /nfs/dbraw/zinc/63/51/14/577635114.db2.gz SFJXRRDJTZXNDO-UHFFFAOYSA-N -1 1 346.383 2.110 20 0 EEADMM O=C(COC/C=C/c1ccccc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000764316590 577734232 /nfs/dbraw/zinc/73/42/32/577734232.db2.gz HFMOCCMDYXCRLP-RUJXFNLJSA-N -1 1 349.394 2.135 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000750961742 577746027 /nfs/dbraw/zinc/74/60/27/577746027.db2.gz GMUXZQIDSOVQAS-UHFFFAOYSA-N -1 1 338.385 2.396 20 0 EEADMM O=S(=O)([N-]Cc1ncccc1F)c1ccc(Cl)nc1Cl ZINC000752013314 577764526 /nfs/dbraw/zinc/76/45/26/577764526.db2.gz 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ZINC000746529562 577929515 /nfs/dbraw/zinc/92/95/15/577929515.db2.gz UXQIDRTWBKTNLT-CQSZACIVSA-N -1 1 343.358 2.130 20 0 EEADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C(N)=O ZINC000747381302 577943257 /nfs/dbraw/zinc/94/32/57/577943257.db2.gz JDJKDYIHCQZSPO-UHFFFAOYSA-N -1 1 328.372 2.274 20 0 EEADMM CC(C)c1noc(CCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000735952792 578174799 /nfs/dbraw/zinc/17/47/99/578174799.db2.gz LAVLZIKZABEFHG-UHFFFAOYSA-N -1 1 348.798 2.466 20 0 EEADMM CC(C)c1noc(CCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000735952792 578174800 /nfs/dbraw/zinc/17/48/00/578174800.db2.gz LAVLZIKZABEFHG-UHFFFAOYSA-N -1 1 348.798 2.466 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736037831 578177962 /nfs/dbraw/zinc/17/79/62/578177962.db2.gz OVOLUOIIWWSHEK-ZCFIWIBFSA-N -1 1 336.705 2.294 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736037831 578177963 /nfs/dbraw/zinc/17/79/63/578177963.db2.gz OVOLUOIIWWSHEK-ZCFIWIBFSA-N -1 1 336.705 2.294 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)c1ccccc1 ZINC000736117902 578181716 /nfs/dbraw/zinc/18/17/16/578181716.db2.gz HMZGGIXDXWVPPL-LBPRGKRZSA-N -1 1 336.399 2.358 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)c1ccccc1 ZINC000736117902 578181717 /nfs/dbraw/zinc/18/17/17/578181717.db2.gz HMZGGIXDXWVPPL-LBPRGKRZSA-N -1 1 336.399 2.358 20 0 EEADMM CC1(C)CN(c2cccc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000736214532 578188392 /nfs/dbraw/zinc/18/83/92/578188392.db2.gz RPWFKZAAVBZUFA-UHFFFAOYSA-N -1 1 349.442 2.363 20 0 EEADMM C[C@H](CNC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736593034 578213558 /nfs/dbraw/zinc/21/35/58/578213558.db2.gz MNZKYFMNHQYXOG-VYDXJSESSA-N -1 1 344.455 2.482 20 0 EEADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000736715879 578219900 /nfs/dbraw/zinc/21/99/00/578219900.db2.gz BXFRBIWJYRAZPE-GFCCVEGCSA-N -1 1 348.424 2.225 20 0 EEADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736825921 578225850 /nfs/dbraw/zinc/22/58/50/578225850.db2.gz OYCCRZSQVFYSOK-PBHICJAKSA-N -1 1 330.428 2.403 20 0 EEADMM CN(Cc1cccc(Br)c1)c1nccnc1-c1nnn[n-]1 ZINC000736823695 578226060 /nfs/dbraw/zinc/22/60/60/578226060.db2.gz ZLIDLOTTZXLXPA-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1cccc(Br)c1)c1nccnc1-c1nn[n-]n1 ZINC000736823695 578226061 /nfs/dbraw/zinc/22/60/61/578226061.db2.gz ZLIDLOTTZXLXPA-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CC[C@@](C)(NCC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000736861176 578227196 /nfs/dbraw/zinc/22/71/96/578227196.db2.gz HDFUPNRMSYCJFY-FUHWJXTLSA-N -1 1 336.432 2.351 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(n2c(C)ccc2C)CC1)C(=O)[O-] ZINC000736880807 578228229 /nfs/dbraw/zinc/22/82/29/578228229.db2.gz ZJCFBUYNDLUDDQ-ACJLOTCBSA-N -1 1 349.475 2.357 20 0 EEADMM CCCCCCN(C)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736984380 578232315 /nfs/dbraw/zinc/23/23/15/578232315.db2.gz YTGUHDLNYAPRSR-INIZCTEOSA-N -1 1 334.416 2.377 20 0 EEADMM COc1ccc2cc(CN(C)c3nccnc3-c3nnn[n-]3)ccc2c1 ZINC000737119919 578239522 /nfs/dbraw/zinc/23/95/22/578239522.db2.gz VRTHFXSQYINNKI-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc2cc(CN(C)c3nccnc3-c3nn[n-]n3)ccc2c1 ZINC000737119919 578239523 /nfs/dbraw/zinc/23/95/23/578239523.db2.gz VRTHFXSQYINNKI-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)CCO3)nc1-c1nnn[n-]1 ZINC000737576194 578265406 /nfs/dbraw/zinc/26/54/06/578265406.db2.gz YGCYXSCXSLZLFB-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)CCO3)nc1-c1nn[n-]n1 ZINC000737576194 578265407 /nfs/dbraw/zinc/26/54/07/578265407.db2.gz YGCYXSCXSLZLFB-UHFFFAOYSA-N -1 1 328.763 2.462 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000737776323 578269314 /nfs/dbraw/zinc/26/93/14/578269314.db2.gz LEAWLQUUSUWCFQ-KGLIPLIRSA-N -1 1 345.366 2.243 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737951710 578274168 /nfs/dbraw/zinc/27/41/68/578274168.db2.gz WJSANUKIGMDLDE-QGZVFWFLSA-N -1 1 326.396 2.425 20 0 EEADMM O=C(Cc1ccccc1C(F)(F)F)N1CCC(c2nn[n-]n2)CC1 ZINC000737969738 578275036 /nfs/dbraw/zinc/27/50/36/578275036.db2.gz SGIFISNOGKZXFJ-UHFFFAOYSA-N -1 1 339.321 2.167 20 0 EEADMM C[C@H](Oc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000820535593 599035655 /nfs/dbraw/zinc/03/56/55/599035655.db2.gz PHIMOJJGVKYOFK-VIFPVBQESA-N -1 1 343.318 2.051 20 0 EEADMM C[C@H](Oc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000820535593 599035658 /nfs/dbraw/zinc/03/56/58/599035658.db2.gz PHIMOJJGVKYOFK-VIFPVBQESA-N -1 1 343.318 2.051 20 0 EEADMM O=C([O-])C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000819357570 597041239 /nfs/dbraw/zinc/04/12/39/597041239.db2.gz FKUXFHHCMKKEAQ-HUUCEWRRSA-N -1 1 349.431 2.313 20 0 EEADMM Cc1ccccc1[C@H]1CC(=O)N(CN2CCC[C@@H](CC(=O)[O-])C2)C1 ZINC000818958930 597045258 /nfs/dbraw/zinc/04/52/58/597045258.db2.gz QIDBGUYBEKAVHV-HOTGVXAUSA-N -1 1 330.428 2.455 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])n[nH]1 ZINC000820061911 597510991 /nfs/dbraw/zinc/51/09/91/597510991.db2.gz TYMPCFNXGJBAEO-JTQLQIEISA-N -1 1 331.376 2.438 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2ccccc2I)C1 ZINC000821511569 598129804 /nfs/dbraw/zinc/12/98/04/598129804.db2.gz KIQNJNZQRHVATH-SNVBAGLBSA-N -1 1 331.153 2.198 20 0 EEADMM CC[C@H](C)[C@H](NCC(=O)N(C)c1nc2ccccc2s1)C(=O)[O-] ZINC000820459571 598187938 /nfs/dbraw/zinc/18/79/38/598187938.db2.gz FHBPTHBGZVIDNM-HZMBPMFUSA-N -1 1 335.429 2.348 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823170463 607405862 /nfs/dbraw/zinc/40/58/62/607405862.db2.gz BKMQNBJCDWLSOE-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823170463 607405864 /nfs/dbraw/zinc/40/58/64/607405864.db2.gz BKMQNBJCDWLSOE-UHFFFAOYSA-N -1 1 334.383 2.014 20 0 EEADMM C[C@@H]1C(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000828143959 600712595 /nfs/dbraw/zinc/71/25/95/600712595.db2.gz SUAPGTXRCOXTEO-BPUTZDHNSA-N -1 1 328.412 2.350 20 0 EEADMM CN(C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000830581805 600899757 /nfs/dbraw/zinc/89/97/57/600899757.db2.gz ROXSBEZNWXCUPD-OFQRWUPVSA-N -1 1 336.407 2.436 20 0 EEADMM Cc1nc(CCN(C)CCOc2ccc(C(=O)[O-])cc2Cl)no1 ZINC000832999194 600994735 /nfs/dbraw/zinc/99/47/35/600994735.db2.gz VHDRXNQMCGUSTD-UHFFFAOYSA-N -1 1 339.779 2.283 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3ccn(C)c3c2)CC1 ZINC000827369376 601134863 /nfs/dbraw/zinc/13/48/63/601134863.db2.gz WSKZYZRGHNEKAG-CYBMUJFWSA-N -1 1 344.415 2.191 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000827385117 601337596 /nfs/dbraw/zinc/33/75/96/601337596.db2.gz GEXUDMVFEHAILF-LLVKDONJSA-N -1 1 325.409 2.003 20 0 EEADMM COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832000662 601511073 /nfs/dbraw/zinc/51/10/73/601511073.db2.gz YBAMPDDGPYAMKR-WDEREUQCSA-N -1 1 340.807 2.248 20 0 EEADMM Cc1cc(C)cc(C[S@@](=O)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826264267 607530393 /nfs/dbraw/zinc/53/03/93/607530393.db2.gz HYLHUEVWQBBMOK-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM Cc1cc(C)cc(C[S@@](=O)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826264267 607530395 /nfs/dbraw/zinc/53/03/95/607530395.db2.gz HYLHUEVWQBBMOK-QHCPKHFHSA-N -1 1 327.413 2.327 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000833223567 601894052 /nfs/dbraw/zinc/89/40/52/601894052.db2.gz ZXNXUHHJEXIMHP-INIZCTEOSA-N -1 1 348.468 2.070 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820534835 601920273 /nfs/dbraw/zinc/92/02/73/601920273.db2.gz GLLALDSKLASUSP-QGZVFWFLSA-N -1 1 326.396 2.174 20 0 EEADMM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000826025678 602047990 /nfs/dbraw/zinc/04/79/90/602047990.db2.gz FMSHSKXWGYCGDZ-GHJWDPDVSA-N -1 1 327.384 2.408 20 0 EEADMM c1cc(CSc2ccc3c(c2)OCCO3)cc(-c2nnn[n-]2)n1 ZINC000826516232 607541672 /nfs/dbraw/zinc/54/16/72/607541672.db2.gz BRNBGRNTERBTAT-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM c1cc(CSc2ccc3c(c2)OCCO3)cc(-c2nn[n-]n2)n1 ZINC000826516232 607541673 /nfs/dbraw/zinc/54/16/73/607541673.db2.gz BRNBGRNTERBTAT-UHFFFAOYSA-N -1 1 327.369 2.325 20 0 EEADMM O=C([O-])c1nn(CN2CC[C@]3(O)CCCC[C@@H]3C2)c2ccccc21 ZINC000833346088 602204074 /nfs/dbraw/zinc/20/40/74/602204074.db2.gz FDRVTFXYNUROHK-FZKQIMNGSA-N -1 1 329.400 2.319 20 0 EEADMM CN1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830941230 602261069 /nfs/dbraw/zinc/26/10/69/602261069.db2.gz UZUNTBKSDLXMNJ-HNNXBMFYSA-N -1 1 328.368 2.336 20 0 EEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824640248 607609783 /nfs/dbraw/zinc/60/97/83/607609783.db2.gz DZNIYNPQILCQDR-JTQLQIEISA-N -1 1 347.375 2.045 20 0 EEADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824640248 607609785 /nfs/dbraw/zinc/60/97/85/607609785.db2.gz DZNIYNPQILCQDR-JTQLQIEISA-N -1 1 347.375 2.045 20 0 EEADMM Cc1cccc(C)c1NC(=O)CCCN1CCO[C@@H](CC(=O)[O-])C1 ZINC000832964786 604484659 /nfs/dbraw/zinc/48/46/59/604484659.db2.gz JDCHKBQZYIOHHJ-HNNXBMFYSA-N -1 1 334.416 2.198 20 0 EEADMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000833770413 604760080 /nfs/dbraw/zinc/76/00/80/604760080.db2.gz FWAYHXRJXPLARZ-ZDUSSCGKSA-N -1 1 333.306 2.085 20 0 EEADMM CC(C)CN1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC000833487563 604925737 /nfs/dbraw/zinc/92/57/37/604925737.db2.gz JIFXACIJKZYMPB-UHFFFAOYSA-N -1 1 345.403 2.067 20 0 EEADMM CC(C)OC(=O)Cc1nc(CN2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000833502168 604964999 /nfs/dbraw/zinc/96/49/99/604964999.db2.gz IGJFBRFZSIKVMP-GFCCVEGCSA-N -1 1 326.418 2.076 20 0 EEADMM CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)n[nH]1 ZINC000833512133 605019582 /nfs/dbraw/zinc/01/95/82/605019582.db2.gz IQAFYBACRXKYIM-JTQLQIEISA-N -1 1 347.375 2.274 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2CC(=O)[O-])C1 ZINC000833438494 605074164 /nfs/dbraw/zinc/07/41/64/605074164.db2.gz KBKQJICHEQQHJR-HNNXBMFYSA-N -1 1 334.416 2.413 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000833625083 605162668 /nfs/dbraw/zinc/16/26/68/605162668.db2.gz WDAATQWKXLOKHP-KDOFPFPSSA-N -1 1 330.428 2.188 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC000833636303 605167929 /nfs/dbraw/zinc/16/79/29/605167929.db2.gz NMDPZPTWUIFOQE-UHFFFAOYSA-N -1 1 334.353 2.173 20 0 EEADMM CN(C(=O)CN1CCC([C@H]2CCOC2)CC1)c1ccccc1C(=O)[O-] ZINC000833684615 605402644 /nfs/dbraw/zinc/40/26/44/605402644.db2.gz KWNPBUJEPPKPDE-HNNXBMFYSA-N -1 1 346.427 2.096 20 0 EEADMM CC(C)(C)OC(=O)c1cccc(CN2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833444193 605481334 /nfs/dbraw/zinc/48/13/34/605481334.db2.gz RDOZCYUVCZGGNP-MRXNPFEDSA-N -1 1 349.427 2.299 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000822614965 606166163 /nfs/dbraw/zinc/16/61/63/606166163.db2.gz YFBGIYMOYAUDJV-QJPTWQEYSA-N -1 1 344.423 2.081 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000822614965 606166165 /nfs/dbraw/zinc/16/61/65/606166165.db2.gz YFBGIYMOYAUDJV-QJPTWQEYSA-N -1 1 344.423 2.081 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(-n2cccn2)c1 ZINC000823294907 606294870 /nfs/dbraw/zinc/29/48/70/606294870.db2.gz XHCNAWVQTJNGBS-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM Cc1ccc([C@@H]2COCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000822232863 606476346 /nfs/dbraw/zinc/47/63/46/606476346.db2.gz CJUFYYMSYOOFPB-NSHDSACASA-N -1 1 346.778 2.394 20 0 EEADMM Cc1ccc([C@@H]2COCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000822232863 606476348 /nfs/dbraw/zinc/47/63/48/606476348.db2.gz CJUFYYMSYOOFPB-NSHDSACASA-N -1 1 346.778 2.394 20 0 EEADMM COc1cccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821868399 606490622 /nfs/dbraw/zinc/49/06/22/606490622.db2.gz QEWOFNWXLFTOEG-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM COc1cccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821868399 606490623 /nfs/dbraw/zinc/49/06/23/606490623.db2.gz QEWOFNWXLFTOEG-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)nc2cc(F)ccc21 ZINC000822599317 606577618 /nfs/dbraw/zinc/57/76/18/606577618.db2.gz CWMBHMYTBRBHNO-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)nc2cc(F)ccc21 ZINC000822599317 606577619 /nfs/dbraw/zinc/57/76/19/606577619.db2.gz CWMBHMYTBRBHNO-UHFFFAOYSA-N -1 1 343.347 2.206 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC000822714768 606595274 /nfs/dbraw/zinc/59/52/74/606595274.db2.gz UCEFBMXZCMXXCQ-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@H]1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC000822714768 606595275 /nfs/dbraw/zinc/59/52/75/606595275.db2.gz UCEFBMXZCMXXCQ-IUCAKERBSA-N -1 1 327.314 2.437 20 0 EEADMM Clc1nsc(N2CCO[C@@H](c3ccco3)C2)c1-c1nnn[n-]1 ZINC000822590038 606633572 /nfs/dbraw/zinc/63/35/72/606633572.db2.gz GLYRQTSMONUZCZ-MRVPVSSYSA-N -1 1 338.780 2.148 20 0 EEADMM Clc1nsc(N2CCO[C@@H](c3ccco3)C2)c1-c1nn[n-]n1 ZINC000822590038 606633573 /nfs/dbraw/zinc/63/35/73/606633573.db2.gz GLYRQTSMONUZCZ-MRVPVSSYSA-N -1 1 338.780 2.148 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc2occc2s1 ZINC000823436091 606650629 /nfs/dbraw/zinc/65/06/29/606650629.db2.gz GHIBAEXNYZIXBD-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc2occc2s1 ZINC000823436091 606650630 /nfs/dbraw/zinc/65/06/30/606650630.db2.gz GHIBAEXNYZIXBD-UHFFFAOYSA-N -1 1 327.325 2.426 20 0 EEADMM CC[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000820987897 606689783 /nfs/dbraw/zinc/68/97/83/606689783.db2.gz BXASPHSELQPSRZ-GFCCVEGCSA-N -1 1 340.387 2.431 20 0 EEADMM CC[C@@H]1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000820987897 606689784 /nfs/dbraw/zinc/68/97/84/606689784.db2.gz BXASPHSELQPSRZ-GFCCVEGCSA-N -1 1 340.387 2.431 20 0 EEADMM CCN(CCc1nccs1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825429205 607824145 /nfs/dbraw/zinc/82/41/45/607824145.db2.gz YOCVIGHSLBLJGK-UHFFFAOYSA-N -1 1 334.430 2.090 20 0 EEADMM CCN(CCc1nccs1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825429205 607824146 /nfs/dbraw/zinc/82/41/46/607824146.db2.gz YOCVIGHSLBLJGK-UHFFFAOYSA-N -1 1 334.430 2.090 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824029909 607860493 /nfs/dbraw/zinc/86/04/93/607860493.db2.gz UQTQVZLAJCYMTB-UHFFFAOYSA-N -1 1 328.353 2.488 20 0 EEADMM CC(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824029909 607860494 /nfs/dbraw/zinc/86/04/94/607860494.db2.gz UQTQVZLAJCYMTB-UHFFFAOYSA-N -1 1 328.353 2.488 20 0 EEADMM Cc1occc1-c1nnc(Sc2cccc(-c3nnn[n-]3)n2)n1C ZINC000826342357 607895900 /nfs/dbraw/zinc/89/59/00/607895900.db2.gz HKPORTLRERPNJD-UHFFFAOYSA-N -1 1 340.372 2.110 20 0 EEADMM Cc1occc1-c1nnc(Sc2cccc(-c3nn[n-]n3)n2)n1C ZINC000826342357 607895901 /nfs/dbraw/zinc/89/59/01/607895901.db2.gz HKPORTLRERPNJD-UHFFFAOYSA-N -1 1 340.372 2.110 20 0 EEADMM COc1ccc(OCCSc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826211454 607898208 /nfs/dbraw/zinc/89/82/08/607898208.db2.gz FFOOUTLOZAGWIB-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM COc1ccc(OCCSc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826211454 607898209 /nfs/dbraw/zinc/89/82/09/607898209.db2.gz FFOOUTLOZAGWIB-UHFFFAOYSA-N -1 1 329.385 2.441 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942554 608005366 /nfs/dbraw/zinc/00/53/66/608005366.db2.gz GFFLPCXYXLLZFH-TWGQIWQCSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942554 608005367 /nfs/dbraw/zinc/00/53/67/608005367.db2.gz GFFLPCXYXLLZFH-TWGQIWQCSA-N -1 1 343.778 2.296 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCSc1ccc(Cl)cc1 ZINC000826395391 608011621 /nfs/dbraw/zinc/01/16/21/608011621.db2.gz ZATZMDCDYAGGAQ-UHFFFAOYSA-N -1 1 349.807 2.121 20 0 EEADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824406539 608073697 /nfs/dbraw/zinc/07/36/97/608073697.db2.gz MKFADBYOOCYAGO-SNVBAGLBSA-N -1 1 343.412 2.385 20 0 EEADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824406539 608073698 /nfs/dbraw/zinc/07/36/98/608073698.db2.gz MKFADBYOOCYAGO-SNVBAGLBSA-N -1 1 343.412 2.385 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000826297423 608129796 /nfs/dbraw/zinc/12/97/96/608129796.db2.gz HCKSNWQCFIQMDP-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000826297423 608129797 /nfs/dbraw/zinc/12/97/97/608129797.db2.gz HCKSNWQCFIQMDP-OAHLLOKOSA-N -1 1 334.383 2.200 20 0 EEADMM c1cc(Cc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)ccn1 ZINC000826516300 608389475 /nfs/dbraw/zinc/38/94/75/608389475.db2.gz FTPOFXGMFILGDF-UHFFFAOYSA-N -1 1 330.355 2.386 20 0 EEADMM c1cc(Cc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)ccn1 ZINC000826516300 608389479 /nfs/dbraw/zinc/38/94/79/608389479.db2.gz FTPOFXGMFILGDF-UHFFFAOYSA-N -1 1 330.355 2.386 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCCC2)nc1 ZINC000826280912 608542982 /nfs/dbraw/zinc/54/29/82/608542982.db2.gz WAPMYRIXLYVQOM-UHFFFAOYSA-N -1 1 336.403 2.177 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2o1 ZINC000824722913 609403071 /nfs/dbraw/zinc/40/30/71/609403071.db2.gz KIJHOQLANYCKNX-SECBINFHSA-N -1 1 336.311 2.321 20 0 EEADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2o1 ZINC000824722913 609403072 /nfs/dbraw/zinc/40/30/72/609403072.db2.gz KIJHOQLANYCKNX-SECBINFHSA-N -1 1 336.311 2.321 20 0 EEADMM Cc1nc(CN2CC([C@@H](C)NC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000969542733 675098620 /nfs/dbraw/zinc/09/86/20/675098620.db2.gz HVNKLPARGWELBD-SNVBAGLBSA-N -1 1 346.456 2.111 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccncc2Cl)C1 ZINC000969545858 675100588 /nfs/dbraw/zinc/10/05/88/675100588.db2.gz FVNJRZULYFVIQO-LLVKDONJSA-N -1 1 346.818 2.086 20 0 EEADMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000078235537 675416081 /nfs/dbraw/zinc/41/60/81/675416081.db2.gz HQFYOCLWLZVAQN-UHFFFAOYSA-N -1 1 328.393 2.451 20 0 EEADMM COC(=O)[C@H](CNC(=O)C(=O)c1ccc([O-])cc1)CC1CCCC1 ZINC000890959076 675826010 /nfs/dbraw/zinc/82/60/10/675826010.db2.gz VIOAGJANPWFAAS-AWEZNQCLSA-N -1 1 333.384 2.061 20 0 EEADMM CCCCC[C@H](C)NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000060862196 676400061 /nfs/dbraw/zinc/40/00/61/676400061.db2.gz GBNTYSHWPZADJZ-VWLVURMCSA-N -1 1 325.478 2.328 20 0 EEADMM O=C([N-]NC(=O)c1ccc(Cl)nc1)c1cccnc1C(F)(F)F ZINC000188355358 676487540 /nfs/dbraw/zinc/48/75/40/676487540.db2.gz XYSVZLKIHZMNBT-UHFFFAOYSA-N -1 1 344.680 2.224 20 0 EEADMM COc1cc[n-]c(=NNC(=O)Nc2cccc(Cl)c2N(C)C)n1 ZINC000156371087 676681492 /nfs/dbraw/zinc/68/14/92/676681492.db2.gz SDZRGSAHRAKZFJ-UHFFFAOYSA-N -1 1 336.783 2.353 20 0 EEADMM CCc1nn(C)c(CC)c1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891617241 676725085 /nfs/dbraw/zinc/72/50/85/676725085.db2.gz FGCQIDGEBFUCDY-UHFFFAOYSA-N -1 1 343.431 2.101 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)[C@H]1CC(c2ccccc2)=NO1 ZINC000891622039 676732841 /nfs/dbraw/zinc/73/28/41/676732841.db2.gz BLHFOLZDPFJPRG-OAHLLOKOSA-N -1 1 338.367 2.193 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@H]1C1CCCCC1)c1nc[nH]c1Br ZINC000866873793 678405723 /nfs/dbraw/zinc/40/57/23/678405723.db2.gz XMGQQVXVLAOZJH-UWVGGRQHSA-N -1 1 348.266 2.419 20 0 EEADMM CCc1cccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1O ZINC000051771174 678477856 /nfs/dbraw/zinc/47/78/56/678477856.db2.gz QRORNAHLORKDRT-UHFFFAOYSA-N -1 1 327.336 2.068 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CC(C)(C)C1 ZINC000984801033 685276402 /nfs/dbraw/zinc/27/64/02/685276402.db2.gz IXTPQSVULFSXLR-UONOGXRCSA-N -1 1 345.443 2.333 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccnc(Br)c1 ZINC000177413645 681279912 /nfs/dbraw/zinc/27/99/12/681279912.db2.gz IKDVMNNOEHKYIG-UHFFFAOYSA-N -1 1 336.071 2.233 20 0 EEADMM CCn1c(CNC(=O)c2cnn(-c3ccccc3F)c2)n[n-]c1=S ZINC000066636459 681762849 /nfs/dbraw/zinc/76/28/49/681762849.db2.gz ZCAKKQXSDZAHEV-UHFFFAOYSA-N -1 1 346.391 2.215 20 0 EEADMM O=C(NC[C@@H]1CCN(C(=O)C2=CCCCCC2)C1)c1ncccc1[O-] ZINC000982685433 682041030 /nfs/dbraw/zinc/04/10/30/682041030.db2.gz XEXSHTYZVHTVDX-AWEZNQCLSA-N -1 1 343.427 2.256 20 0 EEADMM CC[C@@H]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000973200065 682297644 /nfs/dbraw/zinc/29/76/44/682297644.db2.gz XPWGXCFOWWZTHC-KBUPBQIOSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000983337188 682330850 /nfs/dbraw/zinc/33/08/50/682330850.db2.gz HVEGGMOXFIADIU-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSC3(CCCCC3)C2)C1 ZINC000909412149 683205325 /nfs/dbraw/zinc/20/53/25/683205325.db2.gz HRYXEPVNECVEDW-AWEZNQCLSA-N -1 1 340.489 2.061 20 0 EEADMM COc1cc(F)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000914384079 683546349 /nfs/dbraw/zinc/54/63/49/683546349.db2.gz LTKSUKXNSDJJGM-NSHDSACASA-N -1 1 348.415 2.125 20 0 EEADMM COCc1nc(N[C@H](CO)c2ccc(C(F)(F)F)cc2)cc(=O)[n-]1 ZINC000893013883 683549414 /nfs/dbraw/zinc/54/94/14/683549414.db2.gz NMUAHMCKDVWLNV-LLVKDONJSA-N -1 1 343.305 2.493 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000983851780 683625029 /nfs/dbraw/zinc/62/50/29/683625029.db2.gz CVPISQZDTYVIGW-ZDUSSCGKSA-N -1 1 345.424 2.226 20 0 EEADMM C[C@H](C(=O)N(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000984114689 684114876 /nfs/dbraw/zinc/11/48/76/684114876.db2.gz HRGMELJOHYSFIY-DZGCQCFKSA-N -1 1 345.443 2.286 20 0 EEADMM O=C([N-]NC(=O)[C@@H](O)C1CCCCC1)c1ccc(Cl)cc1F ZINC000188278142 684357564 /nfs/dbraw/zinc/35/75/64/684357564.db2.gz PQAIWKBAFRJXNJ-ZDUSSCGKSA-N -1 1 328.771 2.181 20 0 EEADMM C[C@H](CC(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000984309583 684401101 /nfs/dbraw/zinc/40/11/01/684401101.db2.gz BYJITYAYVQGILP-HIFRSBDPSA-N -1 1 345.443 2.286 20 0 EEADMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CO)CCCC1 ZINC000185257775 684456717 /nfs/dbraw/zinc/45/67/17/684456717.db2.gz CCVWLQLVYCELBP-UHFFFAOYSA-N -1 1 348.808 2.079 20 0 EEADMM Cc1cocc1C(=O)N1CCC[C@@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984500163 684631604 /nfs/dbraw/zinc/63/16/04/684631604.db2.gz PBCAGPARNLBSED-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)C=C2CCC2)CCN1C(=O)c1ncccc1[O-] ZINC000984762833 685161428 /nfs/dbraw/zinc/16/14/28/685161428.db2.gz SDQOGIOOKZBYHN-UONOGXRCSA-N -1 1 329.400 2.007 20 0 EEADMM C[C@]1(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909563631 685800501 /nfs/dbraw/zinc/80/05/01/685800501.db2.gz VCVUINFNWCDIRV-OXQOHEQNSA-N -1 1 344.455 2.193 20 0 EEADMM Cc1ccc(C[C@H](CO)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C ZINC000909566570 685830151 /nfs/dbraw/zinc/83/01/51/685830151.db2.gz ITJYGEGKGIWVCC-OAHLLOKOSA-N -1 1 341.411 2.010 20 0 EEADMM COC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCOCC1 ZINC000897145530 686190159 /nfs/dbraw/zinc/19/01/59/686190159.db2.gz HMHMMWVHYRPRLP-UHFFFAOYSA-N -1 1 331.368 2.176 20 0 EEADMM C[C@H](C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000975262746 686342571 /nfs/dbraw/zinc/34/25/71/686342571.db2.gz XQUALFWBQRYSKJ-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC000936596193 694015661 /nfs/dbraw/zinc/01/56/61/694015661.db2.gz HVMGVQOZUMMDGK-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM O=C(Cc1ccc(O)cc1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007574793 686497043 /nfs/dbraw/zinc/49/70/43/686497043.db2.gz AMRUOWYIIYZCTH-UHFFFAOYSA-N -1 1 326.304 2.490 20 0 EEADMM O=C([N-][C@H]1CCN(C(=O)c2nc(Cl)sc2Cl)C1)C(F)F ZINC000937584288 686953737 /nfs/dbraw/zinc/95/37/37/686953737.db2.gz ZTFFJWQXBALKKK-BYPYZUCNSA-N -1 1 344.170 2.046 20 0 EEADMM C[C@@]1(C(=O)N2CC[C@@H](CCNC(=O)c3ncccc3[O-])C2)C=CCC1 ZINC001060139039 694130237 /nfs/dbraw/zinc/13/02/37/694130237.db2.gz UEQHYWIUJUXZDH-AUUYWEPGSA-N -1 1 343.427 2.112 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000985811284 687745893 /nfs/dbraw/zinc/74/58/93/687745893.db2.gz LGMPWVMNECLTCI-UHFFFAOYSA-N -1 1 349.479 2.005 20 0 EEADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000867457781 688647260 /nfs/dbraw/zinc/64/72/60/688647260.db2.gz REWGNFZEZFCYRF-GHMZBOCLSA-N -1 1 328.525 2.003 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC001029963934 688714927 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CN(CC1CCN(C(=O)C2(C)CCC2)CC1)C(=O)c1ncccc1[O-] ZINC000988593585 690846799 /nfs/dbraw/zinc/84/67/99/690846799.db2.gz PGNMQWMHPWLLEB-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM Cc1cc(C)c(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000937860892 691030101 /nfs/dbraw/zinc/03/01/01/691030101.db2.gz NZHDKWCVBBRPGV-LBPRGKRZSA-N -1 1 345.424 2.110 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000937864838 691033369 /nfs/dbraw/zinc/03/33/69/691033369.db2.gz ZQBNLBHGEDWJDF-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccsc1C(=O)N(C)C[C@H]1CCN1C(=O)c1ncccc1[O-] ZINC000977274637 692428501 /nfs/dbraw/zinc/42/85/01/692428501.db2.gz AIJHSBGKBDAEEN-GFCCVEGCSA-N -1 1 345.424 2.144 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cnc2ccccc2c1 ZINC000905093116 694538207 /nfs/dbraw/zinc/53/82/07/694538207.db2.gz XHCHCFDNTZBVDB-UHFFFAOYSA-N -1 1 325.415 2.153 20 0 EEADMM CN(C[C@H]1CCN1C(=O)CC1=CCCCC1)C(=O)c1ncccc1[O-] ZINC000977600158 692834588 /nfs/dbraw/zinc/83/45/88/692834588.db2.gz 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343.427 2.110 20 0 EEADMM CC(C)CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001009829576 1223401235 /nfs/dbraw/zinc/40/12/35/1223401235.db2.gz HIDRMNQIFNDOCC-ZNMIVQPWSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])CN1C(=O)c1ccccc1 ZINC001009960390 1223468910 /nfs/dbraw/zinc/46/89/10/1223468910.db2.gz PKUODVWLYNDEOT-UONOGXRCSA-N -1 1 339.395 2.068 20 0 EEADMM CC1(C(=O)N2CC[C@]3(NC(=O)c4ncccc4[O-])CCC[C@H]23)CCC1 ZINC001014253077 1226415325 /nfs/dbraw/zinc/41/53/25/1226415325.db2.gz KWIVKXPGVVUHHD-IFXJQAMLSA-N -1 1 343.427 2.231 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC001014255653 1226419129 /nfs/dbraw/zinc/41/91/29/1226419129.db2.gz FIAIQVPLHGOJHC-LIRRHRJNSA-N -1 1 345.443 2.477 20 0 EEADMM Cc1cc(C(=O)NC2CC(N(C)C(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001016431939 1226472342 /nfs/dbraw/zinc/47/23/42/1226472342.db2.gz TVDAAMVUZDRXNN-UHFFFAOYSA-N -1 1 343.383 2.030 20 0 EEADMM CN(C[C@H]1CCCCN1C(=O)c1ncccc1[O-])C(=O)[C@@H]1CC1(C)C ZINC001019749965 1229315718 /nfs/dbraw/zinc/31/57/18/1229315718.db2.gz PEIYPTZSVNBKQF-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H]2CCN2Cc2cc(C)cc(C)c2)c1[O-] ZINC001038162793 1229672275 /nfs/dbraw/zinc/67/22/75/1229672275.db2.gz YKZPZGCIBBKFKM-HNNXBMFYSA-N -1 1 328.416 2.045 20 0 EEADMM Cc1nsc(NC[C@]2(C)CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001040322642 1231169609 /nfs/dbraw/zinc/16/96/09/1231169609.db2.gz WYZBRELXRQCRGH-QLJPJBMISA-N -1 1 347.444 2.157 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CC[C@H]2CC2(Cl)Cl)C1 ZINC001042646625 1232128829 /nfs/dbraw/zinc/12/88/29/1232128829.db2.gz UUMNTYUHFBTCEU-JTQLQIEISA-N -1 1 344.242 2.127 20 0 EEADMM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(CC2CCCCC2)C1 ZINC001044182579 1232772164 /nfs/dbraw/zinc/77/21/64/1232772164.db2.gz UXOMMGZPTQNTNX-UHFFFAOYSA-N -1 1 344.415 2.265 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1)c1ncccc1[O-] ZINC001045438476 1233745474 /nfs/dbraw/zinc/74/54/74/1233745474.db2.gz CGQLXTTYZXVOLV-VXGBXAGGSA-N -1 1 347.806 2.384 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(Cc3ccc(F)cc3C)C2)c1[O-] ZINC001046240886 1234585989 /nfs/dbraw/zinc/58/59/89/1234585989.db2.gz WBDQEHRYOSOMPC-GOSISDBHSA-N -1 1 346.406 2.266 20 0 EEADMM CC[C@](C)(CCCNC(=O)c1cnc(C2CC2)[n-]c1=O)C1OCCO1 ZINC000900877095 1234944742 /nfs/dbraw/zinc/94/47/42/1234944742.db2.gz CKLISYAUNQEGIS-GOSISDBHSA-N -1 1 349.431 2.359 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000900993708 1235087212 /nfs/dbraw/zinc/08/72/12/1235087212.db2.gz KWLJCFWTRVSALK-OCCSQVGLSA-N -1 1 329.400 2.424 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OCc3nncn3C)n2)c1 ZINC000801410060 1235534212 /nfs/dbraw/zinc/53/42/12/1235534212.db2.gz DUSGGTFIFIAYET-UHFFFAOYSA-N -1 1 341.371 2.187 20 0 EEADMM CC(C)c1cccc(-n2cc([O-])c(C(=O)O[C@@H](C(N)=O)C(C)C)n2)c1 ZINC000801410904 1235536569 /nfs/dbraw/zinc/53/65/69/1235536569.db2.gz OPAOEATXDMMZBY-MRXNPFEDSA-N -1 1 345.399 2.368 20 0 EEADMM Cc1cccc(-n2cc([O-])c(C(=O)O[C@H](C)C(=O)NC3CC3)n2)c1C ZINC000801418555 1235551101 /nfs/dbraw/zinc/55/11/01/1235551101.db2.gz NTBMAKVKHDWRAN-GFCCVEGCSA-N -1 1 343.383 2.019 20 0 EEADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901329695 1235554912 /nfs/dbraw/zinc/55/49/12/1235554912.db2.gz GBOGLMDJWZFZEU-UHFFFAOYSA-N -1 1 341.411 2.473 20 0 EEADMM C[C@@H](CCN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901625237 1236065215 /nfs/dbraw/zinc/06/52/15/1236065215.db2.gz ADRWWLISDHNMDP-DOTOQJQBSA-N -1 1 332.444 2.435 20 0 EEADMM CCOc1cnc(Br)c([N-]S(=O)(=O)C(F)F)c1 ZINC001259950190 1236444127 /nfs/dbraw/zinc/44/41/27/1236444127.db2.gz GVWFJIRTSFACPX-UHFFFAOYSA-N -1 1 331.138 2.207 20 0 EEADMM CCC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC001056356107 1239250922 /nfs/dbraw/zinc/25/09/22/1239250922.db2.gz CPGPADJZOXLMCK-KKUMJFAQSA-N -1 1 345.443 2.429 20 0 EEADMM Cc1ccccc1CS(=O)(=O)[N-]C1(c2ccccc2F)COC1 ZINC000903653845 1241417259 /nfs/dbraw/zinc/41/72/59/1241417259.db2.gz PCJBIVASHJLZPJ-UHFFFAOYSA-N -1 1 335.400 2.479 20 0 EEADMM CC(C)OCc1noc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000903952121 1242678630 /nfs/dbraw/zinc/67/86/30/1242678630.db2.gz KXLQADXJNYJSAA-OXIQGZBJSA-N -1 1 325.409 2.314 20 0 EEADMM CCCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001050044233 1242704519 /nfs/dbraw/zinc/70/45/19/1242704519.db2.gz MNNXEEQBSWYFSS-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC/C=C(\C)C(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050524101 1243779693 /nfs/dbraw/zinc/77/96/93/1243779693.db2.gz ULQFUDVTUIXGDI-BDPFXEMMSA-N -1 1 331.416 2.110 20 0 EEADMM Cc1nc(C)c(F)c(N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057623445 1244469352 /nfs/dbraw/zinc/46/93/52/1244469352.db2.gz JRGXGSNTQKIQBV-LBPRGKRZSA-N -1 1 345.378 2.050 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(C(F)(F)F)cs1 ZINC001097764130 1244581567 /nfs/dbraw/zinc/58/15/67/1244581567.db2.gz BBUZGZVPXGQNSG-ZETCQYMHSA-N -1 1 346.334 2.493 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2ccc(F)cc21 ZINC001097765103 1244583585 /nfs/dbraw/zinc/58/35/85/1244583585.db2.gz OCTBEZGFPHYBNB-SNVBAGLBSA-N -1 1 341.346 2.100 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])c1nc(C)cc(CC)n1 ZINC001101125529 1245429323 /nfs/dbraw/zinc/42/93/23/1245429323.db2.gz CNAJNMYWYVUVEY-UHFFFAOYSA-N -1 1 343.431 2.094 20 0 EEADMM CC1(C)CC[C@@H](CNC(=O)c2ncccc2[O-])N(c2ncccn2)C1 ZINC001051541810 1245861803 /nfs/dbraw/zinc/86/18/03/1245861803.db2.gz WJYKLFAKENGZJW-ZDUSSCGKSA-N -1 1 341.415 2.002 20 0 EEADMM CCCC1(C(=O)N2CC[C@@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC001051543275 1245865070 /nfs/dbraw/zinc/86/50/70/1245865070.db2.gz CSIUBOHPLXYPMS-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(Cl)cc(NC2CC(CNC(=O)c3ncccc3[O-])C2)n1 ZINC001051911059 1246251778 /nfs/dbraw/zinc/25/17/78/1246251778.db2.gz VXDKRMPXRRKLAH-UHFFFAOYSA-N -1 1 347.806 2.160 20 0 EEADMM CCN(CC)C(=O)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000147330667 1250485259 /nfs/dbraw/zinc/48/52/59/1250485259.db2.gz QQNZQGSIYJYLJW-UHFFFAOYSA-N -1 1 339.823 2.265 20 0 EEADMM CCc1nc(C)cc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C)n1 ZINC001068823562 1251744689 /nfs/dbraw/zinc/74/46/89/1251744689.db2.gz XCKZQHHLRKHIAD-CHWSQXEVSA-N -1 1 341.415 2.163 20 0 EEADMM CCCc1nsc(N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069066008 1252171794 /nfs/dbraw/zinc/17/17/94/1252171794.db2.gz REJZYTKDCRSETD-QWRGUYRKSA-N -1 1 347.444 2.306 20 0 EEADMM C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1Cc1ccc(F)cn1 ZINC001071454609 1254209580 /nfs/dbraw/zinc/20/95/80/1254209580.db2.gz OHGTTXODQQGXHD-SWLSCSKDSA-N -1 1 344.390 2.104 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1CC(F)(F)C(F)F ZINC001071453980 1254210055 /nfs/dbraw/zinc/21/00/55/1254210055.db2.gz DBEBIYZBHUXLOM-UWVGGRQHSA-N -1 1 349.328 2.270 20 0 EEADMM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)[N-]c2cnsc2)CC1 ZINC001185730497 1278767454 /nfs/dbraw/zinc/76/74/54/1278767454.db2.gz VRRLBMIKHJLPGS-UHFFFAOYSA-N -1 1 347.462 2.284 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1O ZINC001185905963 1278842012 /nfs/dbraw/zinc/84/20/12/1278842012.db2.gz HLLUCXRVOQLYKC-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM O=C(NCc1ccco1)C12CC(C1)CN2C(=O)c1ccc([O-])c(F)c1 ZINC001186218184 1279010307 /nfs/dbraw/zinc/01/03/07/1279010307.db2.gz GTVDJZKHXIDBID-UHFFFAOYSA-N -1 1 344.342 2.045 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001186220085 1279012768 /nfs/dbraw/zinc/01/27/68/1279012768.db2.gz VGCCNCWLKIJWNO-AWEZNQCLSA-N -1 1 328.334 2.477 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)Cn2cncn2)c1 ZINC000850473551 1277236345 /nfs/dbraw/zinc/23/63/45/1277236345.db2.gz ZLCXKFRHZNXION-NSHDSACASA-N -1 1 341.337 2.266 20 0 EEADMM C[C@@H](CN(C)C(=O)C1(c2ccnc3ccccc32)CC1)c1nn[n-]n1 ZINC000867382247 1287277961 /nfs/dbraw/zinc/27/79/61/1287277961.db2.gz TXNLYBONMQKPGU-LBPRGKRZSA-N -1 1 336.399 2.042 20 0 EEADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(C)cnc1C ZINC001187980582 1279727462 /nfs/dbraw/zinc/72/74/62/1279727462.db2.gz PAUCQZQPUUUEAZ-UHFFFAOYSA-N -1 1 334.401 2.107 20 0 EEADMM O=c1c(Cl)c([N-]S(=O)(=O)C2CCC2)cnn1-c1ccccc1 ZINC001188151693 1279779815 /nfs/dbraw/zinc/77/98/15/1279779815.db2.gz RUBNFKYQWXMMCO-UHFFFAOYSA-N -1 1 339.804 2.180 20 0 EEADMM COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC001188389493 1279861226 /nfs/dbraw/zinc/86/12/26/1279861226.db2.gz XUUKFEIHPXSALN-UHFFFAOYSA-N -1 1 330.164 2.437 20 0 EEADMM O=S(=O)([N-][C@H](CO)C(F)(F)F)c1ccc(F)c2ccccc21 ZINC001189401023 1280293711 /nfs/dbraw/zinc/29/37/11/1280293711.db2.gz SIZAJQGFOGSHQV-GFCCVEGCSA-N -1 1 337.294 2.180 20 0 EEADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccnc2cccnc12 ZINC001189650903 1280438887 /nfs/dbraw/zinc/43/88/87/1280438887.db2.gz JIRBFPVZDMMZSC-UHFFFAOYSA-N -1 1 335.335 2.272 20 0 EEADMM COc1nc(S(=O)(=O)[N-]c2cc(F)cnc2Cl)ccc1F ZINC001190066026 1280625758 /nfs/dbraw/zinc/62/57/58/1280625758.db2.gz IGCWFNQNBIQMIH-UHFFFAOYSA-N -1 1 335.719 2.218 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2cc(Cl)nc3ccnn32)c(OC)c1 ZINC001190122524 1280696862 /nfs/dbraw/zinc/69/68/62/1280696862.db2.gz VECSZHTWGNIVRO-UHFFFAOYSA-N -1 1 348.746 2.358 20 0 EEADMM O=C(c1cnc(-c2ccccn2)[n-]c1=O)N1CC2(C1)CC(F)(F)C2 ZINC001190618796 1280960987 /nfs/dbraw/zinc/96/09/87/1280960987.db2.gz ZJTMXOOMHCPHHI-UHFFFAOYSA-N -1 1 332.310 2.116 20 0 EEADMM O=C(Nc1cccc2cnncc21)c1cnc(-c2ccccn2)[n-]c1=O ZINC001190633122 1280987890 /nfs/dbraw/zinc/98/78/90/1280987890.db2.gz RZSHXKLRYVRROZ-UHFFFAOYSA-N -1 1 344.334 2.440 20 0 EEADMM COc1cc(C(=O)n2ccc(Cl)c(N)c2=N)cc(Cl)c1[O-] ZINC001191128878 1281221330 /nfs/dbraw/zinc/22/13/30/1281221330.db2.gz FYKISJYTRUGGDJ-UHFFFAOYSA-N -1 1 328.155 2.259 20 0 EEADMM COC(=O)c1cnc(Cl)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191489011 1281411591 /nfs/dbraw/zinc/41/15/91/1281411591.db2.gz NFPSTIIURXZUPR-UHFFFAOYSA-N -1 1 332.809 2.454 20 0 EEADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C)cc2Cl)cc1 ZINC001191578554 1281469038 /nfs/dbraw/zinc/46/90/38/1281469038.db2.gz GBARCVRRHNRIBW-UHFFFAOYSA-N -1 1 339.804 2.204 20 0 EEADMM COC(=O)[C@H](COC(C)(C)C)NC(=O)Nc1ccc(F)cc1[O-] ZINC001191902523 1281698234 /nfs/dbraw/zinc/69/82/34/1281698234.db2.gz FALIYJMADFAPMM-NSHDSACASA-N -1 1 328.340 2.010 20 0 EEADMM O=S(=O)([N-]C[C@@H]1COc2ccccc2C1)C(Cl)(Cl)Cl ZINC001192053666 1281788257 /nfs/dbraw/zinc/78/82/57/1281788257.db2.gz AHSRYWDACJJMIY-MRVPVSSYSA-N -1 1 344.647 2.485 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)c2nc(C(F)(F)F)cs2)n1 ZINC001192447358 1281987306 /nfs/dbraw/zinc/98/73/06/1281987306.db2.gz OOSIZKYQWSHEDB-UHFFFAOYSA-N -1 1 334.279 2.314 20 0 EEADMM COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(F)ccc([O-])c1F)C2 ZINC001192535488 1282052787 /nfs/dbraw/zinc/05/27/87/1282052787.db2.gz GLPMGOJUTULRBT-GUBZILKMSA-N -1 1 325.311 2.084 20 0 EEADMM Cc1cc(C(=O)Nc2nc(N(C)C)[n-]c(=O)c2N=O)n(C(C)(C)C)n1 ZINC001192717326 1282149977 /nfs/dbraw/zinc/14/99/77/1282149977.db2.gz SGGGFBXVICCQQD-UHFFFAOYSA-N -1 1 347.379 2.158 20 0 EEADMM CCOC(=O)c1cc(F)c(C)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC001193260753 1282409585 /nfs/dbraw/zinc/40/95/85/1282409585.db2.gz FYMJMNOGMSSOEX-GFCCVEGCSA-N -1 1 345.392 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O=C([N-]OCc1cccnc1)[C@@H]1CCCCN1Cc1ccncc1 ZINC001319462298 1332706009 /nfs/dbraw/zinc/70/60/09/1332706009.db2.gz LLSDFCKQOGOJMA-KRWDZBQOSA-N -1 1 326.400 2.079 20 0 EEADMM O=C([O-])c1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)n1 ZINC001608930485 1351797010 /nfs/dbraw/zinc/79/70/10/1351797010.db2.gz DRUQXCLYMKIXKL-UHFFFAOYSA-N -1 1 345.443 2.441 20 0 EEADMM O=C([O-])c1cccc(CS(=O)(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC001608932895 1351797580 /nfs/dbraw/zinc/79/75/80/1351797580.db2.gz JZFWFMKXOGSWCO-UHFFFAOYSA-N -1 1 349.343 2.342 20 0 EEADMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001319778146 1332765129 /nfs/dbraw/zinc/76/51/29/1332765129.db2.gz JWNXGQUSJGCEPV-YUMQZZPRSA-N -1 1 327.233 2.074 20 0 EEADMM C[C@@H](CCCO)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609109736 1351847139 /nfs/dbraw/zinc/84/71/39/1351847139.db2.gz HHROZDVXKIOYQU-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@@H](CCCO)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609109736 1351847141 /nfs/dbraw/zinc/84/71/41/1351847141.db2.gz HHROZDVXKIOYQU-QMMMGPOBSA-N -1 1 330.314 2.101 20 0 EEADMM C[C@@H](Cc1ccsc1)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609116126 1351850544 /nfs/dbraw/zinc/85/05/44/1351850544.db2.gz ZPYZJRMPPFPGJE-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM C[C@@H](Cc1ccsc1)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609116126 1351850547 /nfs/dbraw/zinc/85/05/47/1351850547.db2.gz ZPYZJRMPPFPGJE-VIFPVBQESA-N -1 1 331.376 2.428 20 0 EEADMM O=S(=O)([N-]CCc1cccnc1)c1cnc(Cl)cc1Cl ZINC001324842113 1333771730 /nfs/dbraw/zinc/77/17/30/1333771730.db2.gz BPAZLGKAZIKBPP-UHFFFAOYSA-N -1 1 332.212 2.304 20 0 EEADMM CCCCOc1ccc(CNc2n[nH]cc2-c2nnn[n-]2)cc1OC ZINC001609211178 1351893333 /nfs/dbraw/zinc/89/33/33/1351893333.db2.gz NAZHQGUODDOXDF-UHFFFAOYSA-N -1 1 343.391 2.389 20 0 EEADMM CCCCOc1ccc(CNc2n[nH]cc2-c2nn[n-]n2)cc1OC ZINC001609211178 1351893337 /nfs/dbraw/zinc/89/33/37/1351893337.db2.gz NAZHQGUODDOXDF-UHFFFAOYSA-N -1 1 343.391 2.389 20 0 EEADMM CCOc1ccccc1-c1noc(-c2ccnc(-c3nnn[n-]3)c2)n1 ZINC001609246115 1351907836 /nfs/dbraw/zinc/90/78/36/1351907836.db2.gz FNJVAAGKRAYVLT-UHFFFAOYSA-N -1 1 335.327 2.377 20 0 EEADMM CCOc1ccccc1-c1noc(-c2ccnc(-c3nn[n-]n3)c2)n1 ZINC001609246115 1351907839 /nfs/dbraw/zinc/90/78/39/1351907839.db2.gz FNJVAAGKRAYVLT-UHFFFAOYSA-N -1 1 335.327 2.377 20 0 EEADMM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001609248065 1351908142 /nfs/dbraw/zinc/90/81/42/1351908142.db2.gz VTZBTOAYPUJTBX-WDEREUQCSA-N -1 1 347.448 2.448 20 0 EEADMM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001609248065 1351908147 /nfs/dbraw/zinc/90/81/47/1351908147.db2.gz VTZBTOAYPUJTBX-WDEREUQCSA-N -1 1 347.448 2.448 20 0 EEADMM CCc1ccc2occ(C(=O)Nc3n[nH]c(C)c3-c3nn[n-]n3)c2c1 ZINC001609252652 1351909883 /nfs/dbraw/zinc/90/98/83/1351909883.db2.gz LMIPSSIIBSWBHY-UHFFFAOYSA-N -1 1 337.343 2.459 20 0 EEADMM COC(=O)c1ccc(Nc2ccc3c(c2)CCC3)c(-c2nnn[n-]2)n1 ZINC001609303601 1351925454 /nfs/dbraw/zinc/92/54/54/1351925454.db2.gz DFOAXLKARBZQTG-UHFFFAOYSA-N -1 1 336.355 2.281 20 0 EEADMM COC(=O)c1ccc(Nc2ccc3c(c2)CCC3)c(-c2nn[n-]n2)n1 ZINC001609303601 1351925456 /nfs/dbraw/zinc/92/54/56/1351925456.db2.gz DFOAXLKARBZQTG-UHFFFAOYSA-N -1 1 336.355 2.281 20 0 EEADMM CO[C@@](C)(CNC(=O)c1csc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609307438 1351926798 /nfs/dbraw/zinc/92/67/98/1351926798.db2.gz BAOKJZYLSNLDCU-INIZCTEOSA-N -1 1 343.412 2.220 20 0 EEADMM COc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)o2)ccc1Cl ZINC001609341199 1351938680 /nfs/dbraw/zinc/93/86/80/1351938680.db2.gz DHPZGTOLRYEDDY-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM COc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1Cl ZINC001609341199 1351938681 /nfs/dbraw/zinc/93/86/81/1351938681.db2.gz DHPZGTOLRYEDDY-UHFFFAOYSA-N -1 1 347.762 2.094 20 0 EEADMM CSc1ccc(C)c(C(=O)Nc2n[nH]c(C)c2-c2nn[n-]n2)c1 ZINC001609372612 1351950446 /nfs/dbraw/zinc/95/04/46/1351950446.db2.gz VORJNJNPXSUVCL-UHFFFAOYSA-N -1 1 329.389 2.181 20 0 EEADMM Cc1ccc(NCc2ccn(-c3ccccc3)n2)nc1-c1nnn[n-]1 ZINC001609426354 1351972489 /nfs/dbraw/zinc/97/24/89/1351972489.db2.gz PLFMMTZVCHGSLX-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccc(NCc2ccn(-c3ccccc3)n2)nc1-c1nn[n-]n1 ZINC001609426354 1351972490 /nfs/dbraw/zinc/97/24/90/1351972490.db2.gz PLFMMTZVCHGSLX-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001609439431 1351977741 /nfs/dbraw/zinc/97/77/41/1351977741.db2.gz GQFOKALKEALUJS-VHSXEESVSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001609439431 1351977742 /nfs/dbraw/zinc/97/77/42/1351977742.db2.gz GQFOKALKEALUJS-VHSXEESVSA-N -1 1 343.416 2.021 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC001609427982 1351972760 /nfs/dbraw/zinc/97/27/60/1351972760.db2.gz WSUGKAIZARVPHJ-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC001609427982 1351972763 /nfs/dbraw/zinc/97/27/63/1351972763.db2.gz WSUGKAIZARVPHJ-UHFFFAOYSA-N -1 1 340.361 2.143 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001609444043 1351980062 /nfs/dbraw/zinc/98/00/62/1351980062.db2.gz GUJOOAJCGFQBQN-VIFPVBQESA-N -1 1 343.366 2.245 20 0 EEADMM Cc1nsc(N(C)Cc2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC001609463793 1351987122 /nfs/dbraw/zinc/98/71/22/1351987122.db2.gz HVPPSIGIBOWABN-UHFFFAOYSA-N -1 1 326.389 2.144 20 0 EEADMM Clc1ccc(NCc2nnc(C3CC3)s2)nc1-c1nnn[n-]1 ZINC001609473382 1351990646 /nfs/dbraw/zinc/99/06/46/1351990646.db2.gz GBRKYFDMVVDTCE-UHFFFAOYSA-N -1 1 334.796 2.256 20 0 EEADMM Clc1ccc(NCc2nnc(C3CC3)s2)nc1-c1nn[n-]n1 ZINC001609473382 1351990648 /nfs/dbraw/zinc/99/06/48/1351990648.db2.gz GBRKYFDMVVDTCE-UHFFFAOYSA-N -1 1 334.796 2.256 20 0 EEADMM Fc1cccc(F)c1CN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001609491782 1351997678 /nfs/dbraw/zinc/99/76/78/1351997678.db2.gz GGMZZFAJSDNBLR-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Fc1cccc(F)c1CN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001609491782 1351997682 /nfs/dbraw/zinc/99/76/82/1351997682.db2.gz GGMZZFAJSDNBLR-UHFFFAOYSA-N -1 1 329.314 2.104 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]CCCCNC(=O)OC(C)(C)C)sn1 ZINC001331934007 1335679746 /nfs/dbraw/zinc/67/97/46/1335679746.db2.gz DJNRLWLZHVEVKK-UHFFFAOYSA-N -1 1 349.478 2.035 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609560984 1352016071 /nfs/dbraw/zinc/01/60/71/1352016071.db2.gz YPWRUUMAWXLQDT-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609560984 1352016074 /nfs/dbraw/zinc/01/60/74/1352016074.db2.gz YPWRUUMAWXLQDT-UHFFFAOYSA-N -1 1 339.334 2.227 20 0 EEADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC001609560346 1352016221 /nfs/dbraw/zinc/01/62/21/1352016221.db2.gz JJTVBENYUAJQJV-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC001609560346 1352016226 /nfs/dbraw/zinc/01/62/26/1352016226.db2.gz JJTVBENYUAJQJV-CQSZACIVSA-N -1 1 338.346 2.208 20 0 EEADMM O=C(Nc1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1)C1CC1 ZINC001609565686 1352018622 /nfs/dbraw/zinc/01/86/22/1352018622.db2.gz ZKUZHWWHEBHATN-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(Nc1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1)C1CC1 ZINC001609565686 1352018625 /nfs/dbraw/zinc/01/86/25/1352018625.db2.gz ZKUZHWWHEBHATN-UHFFFAOYSA-N -1 1 342.384 2.251 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCc2cccc(Cl)c21 ZINC001609583994 1352027581 /nfs/dbraw/zinc/02/75/81/1352027581.db2.gz QAOYPZBCLQCHMP-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCc2cccc(Cl)c21 ZINC001609583994 1352027585 /nfs/dbraw/zinc/02/75/85/1352027585.db2.gz QAOYPZBCLQCHMP-UHFFFAOYSA-N -1 1 326.747 2.118 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001609607393 1352035257 /nfs/dbraw/zinc/03/52/57/1352035257.db2.gz AABPYZZGSQRCET-RAIGVLPGSA-N -1 1 348.838 2.435 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001609607393 1352035262 /nfs/dbraw/zinc/03/52/62/1352035262.db2.gz AABPYZZGSQRCET-RAIGVLPGSA-N -1 1 348.838 2.435 20 0 EEADMM CC(C)N(C(=O)[C@@H](C)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C(C)C ZINC001609632043 1352046446 /nfs/dbraw/zinc/04/64/46/1352046446.db2.gz ZOJXDPSYHPZSFO-BXUZGUMPSA-N -1 1 338.370 2.359 20 0 EEADMM CC(C)(C)[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC001609654359 1352051117 /nfs/dbraw/zinc/05/11/17/1352051117.db2.gz RWBRMLWCBRVXLB-QMMMGPOBSA-N -1 1 346.352 2.097 20 0 EEADMM CO[C@@]1(C)CCCN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C1 ZINC001338337765 1336843455 /nfs/dbraw/zinc/84/34/55/1336843455.db2.gz DRYFXRHRMUUGNH-HNNXBMFYSA-N -1 1 337.811 2.241 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1C[C@H](C(C)C)c2ccccc21 ZINC001340156666 1337130302 /nfs/dbraw/zinc/13/03/02/1337130302.db2.gz OKFYLYUJRAPSRB-CYBMUJFWSA-N -1 1 338.419 2.293 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1C[C@H](C(C)C)c2ccccc21 ZINC001340156666 1337130303 /nfs/dbraw/zinc/13/03/03/1337130303.db2.gz OKFYLYUJRAPSRB-CYBMUJFWSA-N -1 1 338.419 2.293 20 0 EEADMM CCC[C@@](C)(NCC(=O)Nc1ccc(N2CCCCC2)nc1)C(=O)[O-] ZINC001609953700 1352128795 /nfs/dbraw/zinc/12/87/95/1352128795.db2.gz REMNDRCPKJQHAL-GOSISDBHSA-N -1 1 348.447 2.243 20 0 EEADMM CCN(CCC(=O)[O-])Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC001610000029 1352137512 /nfs/dbraw/zinc/13/75/12/1352137512.db2.gz YOQQOBGWBONLTB-UHFFFAOYSA-N -1 1 332.356 2.425 20 0 EEADMM CC[C@@H](NC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C(=O)c1ccccc1 ZINC001347976380 1337529160 /nfs/dbraw/zinc/52/91/60/1337529160.db2.gz YOMJRVWTLLLTNY-LLVKDONJSA-N -1 1 331.397 2.171 20 0 EEADMM CCc1nc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n[nH]1 ZINC001610071258 1352155591 /nfs/dbraw/zinc/15/55/91/1352155591.db2.gz ANXUBGCIQMOHIZ-CQSZACIVSA-N -1 1 345.403 2.018 20 0 EEADMM Cc1cccc(S(=O)(=O)[N-]c2c(Br)cnn2C)c1F ZINC001200666888 1338511329 /nfs/dbraw/zinc/51/13/29/1338511329.db2.gz AHVJVHNSVGKODS-UHFFFAOYSA-N -1 1 348.197 2.431 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001610337968 1352207673 /nfs/dbraw/zinc/20/76/73/1352207673.db2.gz QZWAHNPUOHBMCW-JBLDHEPKSA-N -1 1 340.807 2.471 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000848334826 1338681114 /nfs/dbraw/zinc/68/11/14/1338681114.db2.gz RVAVJXGGRBOAIW-SECBINFHSA-N -1 1 348.296 2.062 20 0 EEADMM Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)N2CCCC2)o1 ZINC001610492402 1352232293 /nfs/dbraw/zinc/23/22/93/1352232293.db2.gz GLTTWJIGMVVCPT-KKUMJFAQSA-N -1 1 349.431 2.230 20 0 EEADMM Cc1nc(Cl)ccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC001610556799 1352244074 /nfs/dbraw/zinc/24/40/74/1352244074.db2.gz VSZUQCUXPMZEFA-SNVBAGLBSA-N -1 1 340.811 2.056 20 0 EEADMM Cc1ncc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC001610563994 1352245751 /nfs/dbraw/zinc/24/57/51/1352245751.db2.gz VVLBTCGUIISEQG-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCc2n[nH]nc2C1 ZINC001610722244 1352264932 /nfs/dbraw/zinc/26/49/32/1352264932.db2.gz FTAWRSXEVCNIMR-GFCCVEGCSA-N -1 1 327.171 2.296 20 0 EEADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cncc(Cl)c2Cl)o1 ZINC001610839753 1352283264 /nfs/dbraw/zinc/28/32/64/1352283264.db2.gz BIVCGYJIGKUNOP-UHFFFAOYSA-N -1 1 337.140 2.480 20 0 EEADMM O=C([O-])c1ccc2[nH]cc(C(=O)CN3CCC[C@H](CO)CC3)c2c1 ZINC001610842250 1352283638 /nfs/dbraw/zinc/28/36/38/1352283638.db2.gz HFNLCFHQPOGQMQ-LBPRGKRZSA-N -1 1 330.384 2.143 20 0 EEADMM O=C([O-])c1nccc2c1cccc2S(=O)(=O)Nc1ccc(F)nc1 ZINC001610869590 1352288163 /nfs/dbraw/zinc/28/81/63/1352288163.db2.gz IARNOZCQBQHOHF-UHFFFAOYSA-N -1 1 347.327 2.268 20 0 EEADMM C[C@H](NCc1nc(=O)n(C)[n-]1)c1cc(Cl)ccc1OC(F)F ZINC001434464206 1341849973 /nfs/dbraw/zinc/84/99/73/1341849973.db2.gz NSTFOHXOXGEJFQ-ZETCQYMHSA-N -1 1 332.738 2.214 20 0 EEADMM CC1N=NC(C(=O)Nc2c(-c3cccnc3)nc3ccccn32)=C1[O-] ZINC001557257978 1342444377 /nfs/dbraw/zinc/44/43/77/1342444377.db2.gz PEMZIVRUUVYZPH-UHFFFAOYSA-N -1 1 334.339 2.386 20 0 EEADMM CCC1(NS(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)CC1 ZINC001577117768 1344091979 /nfs/dbraw/zinc/09/19/79/1344091979.db2.gz XUQINEWMMZNZPK-UHFFFAOYSA-N -1 1 349.441 2.302 20 0 EEADMM CCCC(=O)N[C@@H](C)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577203106 1344104311 /nfs/dbraw/zinc/10/43/11/1344104311.db2.gz OUXAWHDPDDCRRL-NKWVEPMBSA-N -1 1 343.844 2.082 20 0 EEADMM CCSCc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001578417754 1344277165 /nfs/dbraw/zinc/27/71/65/1344277165.db2.gz WTUWGOSYYLOZMK-UHFFFAOYSA-N -1 1 329.389 2.095 20 0 EEADMM COC(=O)c1c(F)cccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001579479693 1344387703 /nfs/dbraw/zinc/38/77/03/1344387703.db2.gz URECLUKYRPFQRL-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1c(F)cccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001579479693 1344387710 /nfs/dbraw/zinc/38/77/10/1344387710.db2.gz URECLUKYRPFQRL-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(N2C[C@H](C)c3ccccc32)c(-c2nnn[n-]2)n1 ZINC001579482754 1344387918 /nfs/dbraw/zinc/38/79/18/1344387918.db2.gz OUGVITVLKVLNEH-JTQLQIEISA-N -1 1 336.355 2.304 20 0 EEADMM COC(=O)c1ccc(N2C[C@H](C)c3ccccc32)c(-c2nn[n-]n2)n1 ZINC001579482754 1344387924 /nfs/dbraw/zinc/38/79/24/1344387924.db2.gz OUGVITVLKVLNEH-JTQLQIEISA-N -1 1 336.355 2.304 20 0 EEADMM COc1ccc(Br)cc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001579970107 1344441289 /nfs/dbraw/zinc/44/12/89/1344441289.db2.gz ZFPTULYHRIQBKH-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(Br)cc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001579970107 1344441293 /nfs/dbraw/zinc/44/12/93/1344441293.db2.gz ZFPTULYHRIQBKH-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(N(C)C(=O)c2csc(-c3nn[n-]n3)c2)cc1F ZINC001580034297 1344452946 /nfs/dbraw/zinc/45/29/46/1344452946.db2.gz BROJDQAFAJMNQZ-UHFFFAOYSA-N -1 1 333.348 2.353 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001580043728 1344456239 /nfs/dbraw/zinc/45/62/39/1344456239.db2.gz LOXAXQOVIRISPI-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001580043728 1344456243 /nfs/dbraw/zinc/45/62/43/1344456243.db2.gz LOXAXQOVIRISPI-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2ccc(C)cc2Cl)nn1C ZINC001581173787 1344594949 /nfs/dbraw/zinc/59/49/49/1344594949.db2.gz BCYSMPWHNRXHHT-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2ccc(C)cc2Cl)nn1C ZINC001581173787 1344594952 /nfs/dbraw/zinc/59/49/52/1344594952.db2.gz BCYSMPWHNRXHHT-UHFFFAOYSA-N -1 1 331.767 2.123 20 0 EEADMM Cc1ccc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)o1 ZINC001581174532 1344594981 /nfs/dbraw/zinc/59/49/81/1344594981.db2.gz UNLMNHXJCFIZQV-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1ccc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)o1 ZINC001581174532 1344594985 /nfs/dbraw/zinc/59/49/85/1344594985.db2.gz UNLMNHXJCFIZQV-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cccc(CCNC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581241738 1344605711 /nfs/dbraw/zinc/60/57/11/1344605711.db2.gz IPLOIZRXIPGNPX-UHFFFAOYSA-N -1 1 342.428 2.279 20 0 EEADMM Cc1nsc(NC(=O)c2cc(Cl)ncc2C)c1-c1nnn[n-]1 ZINC001581321325 1344616865 /nfs/dbraw/zinc/61/68/65/1344616865.db2.gz URXIYIOHRROUQC-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Cc1nsc(NC(=O)c2cc(Cl)ncc2C)c1-c1nn[n-]n1 ZINC001581321325 1344616868 /nfs/dbraw/zinc/61/68/68/1344616868.db2.gz URXIYIOHRROUQC-UHFFFAOYSA-N -1 1 335.780 2.241 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C=Cc1ccc(F)c2ccccc12 ZINC001581909080 1344686886 /nfs/dbraw/zinc/68/68/86/1344686886.db2.gz OOQCSTPYHASBOG-VURMDHGXSA-N -1 1 349.329 2.291 20 0 EEADMM O=C(NC1(c2ccccc2F)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001582244808 1344717295 /nfs/dbraw/zinc/71/72/95/1344717295.db2.gz HKSJAQWVICUJII-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1csc(-c2nn[n-]n2)c1 ZINC001582263427 1344720685 /nfs/dbraw/zinc/72/06/85/1344720685.db2.gz VZWPPBGAYJXNJZ-DOMZBBRYSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC001582552236 1344762058 /nfs/dbraw/zinc/76/20/58/1344762058.db2.gz OMIOMTFXJRMEEL-UHFFFAOYSA-N -1 1 329.747 2.156 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(SC(F)F)cc1 ZINC001582650397 1344777076 /nfs/dbraw/zinc/77/70/76/1344777076.db2.gz RDGAPAVYYCYDGR-UHFFFAOYSA-N -1 1 337.315 2.157 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccccc1Cl)CCC2 ZINC001582806566 1344794607 /nfs/dbraw/zinc/79/46/07/1344794607.db2.gz OGFCTZIRIOHVMG-UHFFFAOYSA-N -1 1 327.775 2.219 20 0 EEADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001588877861 1348940115 /nfs/dbraw/zinc/94/01/15/1348940115.db2.gz FOZQXDIBVDSWMD-UHFFFAOYSA-N -1 1 346.734 2.324 20 0 EEADMM CC(=O)Nc1ccc(Cl)c(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001588877861 1348940119 /nfs/dbraw/zinc/94/01/19/1348940119.db2.gz FOZQXDIBVDSWMD-UHFFFAOYSA-N -1 1 346.734 2.324 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(-c2nnn[n-]2)s1 ZINC001589215022 1348970904 /nfs/dbraw/zinc/97/09/04/1348970904.db2.gz IZAYTHDDQRORCX-VROVMSAKSA-N -1 1 333.417 2.057 20 0 EEADMM CC(C)(C)c1cc(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)c(-c2nn[n-]n2)s1 ZINC001589215022 1348970907 /nfs/dbraw/zinc/97/09/07/1348970907.db2.gz IZAYTHDDQRORCX-VROVMSAKSA-N -1 1 333.417 2.057 20 0 EEADMM CC(C)(C)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1Cl ZINC001589222243 1348971770 /nfs/dbraw/zinc/97/17/70/1348971770.db2.gz WVLCWCRAGYGUIF-UHFFFAOYSA-N -1 1 345.794 2.285 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001589250149 1348975109 /nfs/dbraw/zinc/97/51/09/1348975109.db2.gz CFCXMLJCWNXMHT-GRYCIOLGSA-N -1 1 341.419 2.359 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001589250149 1348975113 /nfs/dbraw/zinc/97/51/13/1348975113.db2.gz CFCXMLJCWNXMHT-GRYCIOLGSA-N -1 1 341.419 2.359 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001589607548 1349009110 /nfs/dbraw/zinc/00/91/10/1349009110.db2.gz NHLFJIXWTMGPLF-CTYIDZIISA-N -1 1 330.436 2.469 20 0 EEADMM CC(C)CCO[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001589607548 1349009115 /nfs/dbraw/zinc/00/91/15/1349009115.db2.gz NHLFJIXWTMGPLF-CTYIDZIISA-N -1 1 330.436 2.469 20 0 EEADMM CC(C)OC1CC(n2cc(-c3nn[n-]n3)c(=O)c3ccccc32)C1 ZINC001589739431 1349026333 /nfs/dbraw/zinc/02/63/33/1349026333.db2.gz KETFSFDKDDGAFH-UHFFFAOYSA-N -1 1 325.372 2.310 20 0 EEADMM CC(C)[C@@H]1C[C@H]1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589763167 1349032531 /nfs/dbraw/zinc/03/25/31/1349032531.db2.gz PQOQQIUDDLKJOL-BQBZGAKWSA-N -1 1 341.828 2.390 20 0 EEADMM C[C@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccc1 ZINC001589794269 1349044869 /nfs/dbraw/zinc/04/48/69/1349044869.db2.gz JZNIRNIITHAHRZ-SSDOTTSWSA-N -1 1 337.796 2.368 20 0 EEADMM CC(F)(F)c1ccc(CNC(=O)c2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001589908216 1349059276 /nfs/dbraw/zinc/05/92/76/1349059276.db2.gz LBBIOIBPOZBLCY-UHFFFAOYSA-N -1 1 344.325 2.303 20 0 EEADMM CC(F)(F)c1ccc(CNC(=O)c2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001589908216 1349059282 /nfs/dbraw/zinc/05/92/82/1349059282.db2.gz LBBIOIBPOZBLCY-UHFFFAOYSA-N -1 1 344.325 2.303 20 0 EEADMM C[C@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O)C(C)(C)C ZINC001589905230 1349059976 /nfs/dbraw/zinc/05/99/76/1349059976.db2.gz VXMLYRUVGFPTHJ-SNVBAGLBSA-N -1 1 329.404 2.230 20 0 EEADMM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001590051461 1349130587 /nfs/dbraw/zinc/13/05/87/1349130587.db2.gz SJNKMKQHXQVAFX-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001590051461 1349130597 /nfs/dbraw/zinc/13/05/97/1349130597.db2.gz SJNKMKQHXQVAFX-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM CC1=C(Br)CN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001590155604 1349177444 /nfs/dbraw/zinc/17/74/44/1349177444.db2.gz OZGJWMOPIJXGBV-UHFFFAOYSA-N -1 1 335.209 2.136 20 0 EEADMM C[C@H]1C[C@H](Cn2cc(-c3nn[n-]n3)c3ccsc3c2=O)CCO1 ZINC001590191114 1349192440 /nfs/dbraw/zinc/19/24/40/1349192440.db2.gz DVKGSRBIHDIFCU-VHSXEESVSA-N -1 1 331.401 2.058 20 0 EEADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001590218116 1349205902 /nfs/dbraw/zinc/20/59/02/1349205902.db2.gz GCHUHHRPVPQDSI-CBAPKCEASA-N -1 1 327.323 2.105 20 0 EEADMM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001590218116 1349205906 /nfs/dbraw/zinc/20/59/06/1349205906.db2.gz GCHUHHRPVPQDSI-CBAPKCEASA-N -1 1 327.323 2.105 20 0 EEADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)n[nH]1 ZINC001590218118 1349205933 /nfs/dbraw/zinc/20/59/33/1349205933.db2.gz GCHUHHRPVPQDSI-VXNVDRBHSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)n[nH]1 ZINC001590218118 1349205934 /nfs/dbraw/zinc/20/59/34/1349205934.db2.gz GCHUHHRPVPQDSI-VXNVDRBHSA-N -1 1 327.323 2.105 20 0 EEADMM C[C@H]1CC2(CN1c1ccc(Cl)c(-c3nnn[n-]3)n1)CCOCC2 ZINC001590223450 1349208878 /nfs/dbraw/zinc/20/88/78/1349208878.db2.gz QOBBXRMKHJVILS-JTQLQIEISA-N -1 1 334.811 2.311 20 0 EEADMM C[C@H]1CC2(CN1c1ccc(Cl)c(-c3nn[n-]n3)n1)CCOCC2 ZINC001590223450 1349208887 /nfs/dbraw/zinc/20/88/87/1349208887.db2.gz QOBBXRMKHJVILS-JTQLQIEISA-N -1 1 334.811 2.311 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001590235685 1349216178 /nfs/dbraw/zinc/21/61/78/1349216178.db2.gz ABLZTWLPTDBNJC-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001590235685 1349216184 /nfs/dbraw/zinc/21/61/84/1349216184.db2.gz ABLZTWLPTDBNJC-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@@H](C)C1 ZINC001590235072 1349217036 /nfs/dbraw/zinc/21/70/36/1349217036.db2.gz GCXHEILUHHKYNO-WCABBAIRSA-N -1 1 334.811 2.470 20 0 EEADMM C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001590329586 1349268501 /nfs/dbraw/zinc/26/85/01/1349268501.db2.gz OZLJINVRNBHZCM-BMIGLBTASA-N -1 1 337.339 2.188 20 0 EEADMM C[C@@H]1COc2ccccc2[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001590329586 1349268504 /nfs/dbraw/zinc/26/85/04/1349268504.db2.gz OZLJINVRNBHZCM-BMIGLBTASA-N -1 1 337.339 2.188 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590334897 1349271914 /nfs/dbraw/zinc/27/19/14/1349271914.db2.gz DVONWMWNLUMENH-OQPBUACISA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590334897 1349271918 /nfs/dbraw/zinc/27/19/18/1349271918.db2.gz DVONWMWNLUMENH-OQPBUACISA-N -1 1 327.369 2.180 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2coc(-c3nnn[n-]3)c2)on1 ZINC001590436874 1349326051 /nfs/dbraw/zinc/32/60/51/1349326051.db2.gz VBLKSCHJMPTDFD-UHFFFAOYSA-N -1 1 330.348 2.281 20 0 EEADMM CCC(CC)c1cc(CNC(=O)c2coc(-c3nn[n-]n3)c2)on1 ZINC001590436874 1349326058 /nfs/dbraw/zinc/32/60/58/1349326058.db2.gz VBLKSCHJMPTDFD-UHFFFAOYSA-N -1 1 330.348 2.281 20 0 EEADMM CC[C@H](CNc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590445582 1349326657 /nfs/dbraw/zinc/32/66/57/1349326657.db2.gz FCWLQFZRAIFZRO-LLVKDONJSA-N -1 1 326.360 2.080 20 0 EEADMM CC[C@H](CNc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590445582 1349326662 /nfs/dbraw/zinc/32/66/62/1349326662.db2.gz FCWLQFZRAIFZRO-LLVKDONJSA-N -1 1 326.360 2.080 20 0 EEADMM CC[C@@H](Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)OC ZINC001590451059 1349331944 /nfs/dbraw/zinc/33/19/44/1349331944.db2.gz BKHTWKAJCKNMGP-JTQLQIEISA-N -1 1 333.779 2.260 20 0 EEADMM CCC1(CC)CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC001590490679 1349354887 /nfs/dbraw/zinc/35/48/87/1349354887.db2.gz FDUPWPANPAMCBY-UHFFFAOYSA-N -1 1 332.412 2.034 20 0 EEADMM CCC1(CC)CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC001590490679 1349354893 /nfs/dbraw/zinc/35/48/93/1349354893.db2.gz FDUPWPANPAMCBY-UHFFFAOYSA-N -1 1 332.412 2.034 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590508995 1349360533 /nfs/dbraw/zinc/36/05/33/1349360533.db2.gz TZKSJTNXOUOHFN-NEPJUHHUSA-N -1 1 326.404 2.367 20 0 EEADMM CC[C@@H]1CCC[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590508995 1349360539 /nfs/dbraw/zinc/36/05/39/1349360539.db2.gz TZKSJTNXOUOHFN-NEPJUHHUSA-N -1 1 326.404 2.367 20 0 EEADMM CCN(CC(C)(C)C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001590683160 1349388120 /nfs/dbraw/zinc/38/81/20/1349388120.db2.gz YCGPOZZJMCUUIQ-UHFFFAOYSA-N -1 1 333.396 2.170 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC001590789639 1349400297 /nfs/dbraw/zinc/40/02/97/1349400297.db2.gz AZAHURABXVEXAO-LSDHHAIUSA-N -1 1 328.420 2.223 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC001590789639 1349400302 /nfs/dbraw/zinc/40/03/02/1349400302.db2.gz AZAHURABXVEXAO-LSDHHAIUSA-N -1 1 328.420 2.223 20 0 EEADMM CCc1nc(Oc2cccc(-n3ccnc3)c2)cc(-c2nnn[n-]2)n1 ZINC001590925167 1349414222 /nfs/dbraw/zinc/41/42/22/1349414222.db2.gz KKXZBVZPDNFSSN-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CCc1nc(Oc2cccc(-n3ccnc3)c2)cc(-c2nn[n-]n2)n1 ZINC001590925167 1349414226 /nfs/dbraw/zinc/41/42/26/1349414226.db2.gz KKXZBVZPDNFSSN-UHFFFAOYSA-N -1 1 334.343 2.197 20 0 EEADMM CCn1c(C)nnc1Sc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001590944878 1349420895 /nfs/dbraw/zinc/42/08/95/1349420895.db2.gz RMTJDVXJJQPEFZ-UHFFFAOYSA-N -1 1 328.814 2.048 20 0 EEADMM CCn1c2ccccc2nc1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001590955388 1349423522 /nfs/dbraw/zinc/42/35/22/1349423522.db2.gz SQXVQAXWIRIPPS-JTQLQIEISA-N -1 1 335.375 2.199 20 0 EEADMM CCn1c2ccccc2nc1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001590955388 1349423525 /nfs/dbraw/zinc/42/35/25/1349423525.db2.gz SQXVQAXWIRIPPS-JTQLQIEISA-N -1 1 335.375 2.199 20 0 EEADMM CCn1ccc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)n1 ZINC001590959562 1349424093 /nfs/dbraw/zinc/42/40/93/1349424093.db2.gz MLEFQBURDNINKX-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CCn1ccc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)n1 ZINC001590959562 1349424095 /nfs/dbraw/zinc/42/40/95/1349424095.db2.gz MLEFQBURDNINKX-UHFFFAOYSA-N -1 1 338.297 2.109 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001591153098 1349441039 /nfs/dbraw/zinc/44/10/39/1349441039.db2.gz WZFMLNFQDGITQX-UHFFFAOYSA-N -1 1 346.807 2.489 20 0 EEADMM CN(Cc1nc2ccccc2[nH]1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001591153098 1349441042 /nfs/dbraw/zinc/44/10/42/1349441042.db2.gz WZFMLNFQDGITQX-UHFFFAOYSA-N -1 1 346.807 2.489 20 0 EEADMM COC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc(OC)c1 ZINC001591382201 1349476525 /nfs/dbraw/zinc/47/65/25/1349476525.db2.gz FEQWYJTXMFXRHZ-CQSZACIVSA-N -1 1 326.360 2.070 20 0 EEADMM COC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc(OC)c1 ZINC001591382201 1349476530 /nfs/dbraw/zinc/47/65/30/1349476530.db2.gz FEQWYJTXMFXRHZ-CQSZACIVSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccc(Cn2cc(-c3nn[n-]n3)c3ccccc3c2=O)cc1 ZINC001591604796 1349513220 /nfs/dbraw/zinc/51/32/20/1349513220.db2.gz HEJNTTOVWWZQEI-UHFFFAOYSA-N -1 1 333.351 2.239 20 0 EEADMM COc1ccc(F)c(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591606060 1349513489 /nfs/dbraw/zinc/51/34/89/1349513489.db2.gz SZJNONQPXLRXRL-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccc(F)c(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591606060 1349513495 /nfs/dbraw/zinc/51/34/95/1349513495.db2.gz SZJNONQPXLRXRL-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccccc1CN(C(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001591653716 1349527348 /nfs/dbraw/zinc/52/73/48/1349527348.db2.gz XLOWKFOKGDJHAY-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM COc1ccccc1CN(C(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001591653716 1349527351 /nfs/dbraw/zinc/52/73/51/1349527351.db2.gz XLOWKFOKGDJHAY-UHFFFAOYSA-N -1 1 339.355 2.273 20 0 EEADMM Cc1[nH]nc(NC(=O)c2[nH]ccc2-c2ccccc2)c1-c1nn[n-]n1 ZINC001592331010 1349621685 /nfs/dbraw/zinc/62/16/85/1349621685.db2.gz RCSRAAZQMUZUPQ-UHFFFAOYSA-N -1 1 334.343 2.146 20 0 EEADMM Cc1[nH]nc(NC(=O)Cc2c(C)oc3ccccc32)c1-c1nn[n-]n1 ZINC001592330013 1349622031 /nfs/dbraw/zinc/62/20/31/1349622031.db2.gz JFDQBHGAFILGPC-UHFFFAOYSA-N -1 1 337.343 2.134 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)C(=O)C1CCCCC1 ZINC001592502398 1349638205 /nfs/dbraw/zinc/63/82/05/1349638205.db2.gz SDTBEYSXILJMTE-JTQLQIEISA-N -1 1 332.360 2.463 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)C(=O)C1CCCCC1 ZINC001592502398 1349638207 /nfs/dbraw/zinc/63/82/07/1349638207.db2.gz SDTBEYSXILJMTE-JTQLQIEISA-N -1 1 332.360 2.463 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C2CCC2)C2CCCC2)c1-c1nnn[n-]1 ZINC001592515786 1349644249 /nfs/dbraw/zinc/64/42/49/1349644249.db2.gz NPCOQEIYJIELQL-MRXNPFEDSA-N -1 1 344.419 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@@H](C2CCC2)C2CCCC2)c1-c1nn[n-]n1 ZINC001592515786 1349644250 /nfs/dbraw/zinc/64/42/50/1349644250.db2.gz NPCOQEIYJIELQL-MRXNPFEDSA-N -1 1 344.419 2.181 20 0 EEADMM Clc1ccnc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c1 ZINC001592536787 1349651202 /nfs/dbraw/zinc/65/12/02/1349651202.db2.gz TUPKXCTVHGGFCE-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Clc1ccnc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c1 ZINC001592536787 1349651204 /nfs/dbraw/zinc/65/12/04/1349651204.db2.gz TUPKXCTVHGGFCE-UHFFFAOYSA-N -1 1 328.767 2.195 20 0 EEADMM Clc1cnc2oc(CNCc3nc(-c4nnn[n-]4)cs3)cc2c1 ZINC001592537630 1349652303 /nfs/dbraw/zinc/65/23/03/1349652303.db2.gz AFLDTBYMOZGKST-UHFFFAOYSA-N -1 1 347.791 2.408 20 0 EEADMM Clc1cnc2oc(CNCc3nc(-c4nn[n-]n4)cs3)cc2c1 ZINC001592537630 1349652304 /nfs/dbraw/zinc/65/23/04/1349652304.db2.gz AFLDTBYMOZGKST-UHFFFAOYSA-N -1 1 347.791 2.408 20 0 EEADMM Clc1nc(NCc2ccc3c(c2)OCO3)sc1-c1nnn[n-]1 ZINC001592539514 1349653194 /nfs/dbraw/zinc/65/31/94/1349653194.db2.gz VNNYYLUQVNWMCL-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM Clc1nc(NCc2ccc3c(c2)OCO3)sc1-c1nn[n-]n1 ZINC001592539514 1349653197 /nfs/dbraw/zinc/65/31/97/1349653197.db2.gz VNNYYLUQVNWMCL-UHFFFAOYSA-N -1 1 336.764 2.317 20 0 EEADMM FC(F)(F)[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1nccs1 ZINC001592614752 1349672801 /nfs/dbraw/zinc/67/28/01/1349672801.db2.gz ZFIXLMCXBPFKIM-QMMMGPOBSA-N -1 1 330.295 2.309 20 0 EEADMM FC(F)(F)[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1nccs1 ZINC001592614752 1349672807 /nfs/dbraw/zinc/67/28/07/1349672807.db2.gz ZFIXLMCXBPFKIM-QMMMGPOBSA-N -1 1 330.295 2.309 20 0 EEADMM FC(F)(F)c1ccc(SCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC001592620174 1349675841 /nfs/dbraw/zinc/67/58/41/1349675841.db2.gz AAKWJOHHINNKOW-UHFFFAOYSA-N -1 1 339.306 2.363 20 0 EEADMM FC(F)(F)c1ccc(SCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC001592620174 1349675844 /nfs/dbraw/zinc/67/58/44/1349675844.db2.gz AAKWJOHHINNKOW-UHFFFAOYSA-N -1 1 339.306 2.363 20 0 EEADMM Fc1cccc(C=C2CCN(c3ncncc3-c3nn[n-]n3)CC2)c1 ZINC001592654400 1349698897 /nfs/dbraw/zinc/69/88/97/1349698897.db2.gz IYCLPQLZVGNRSV-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM O=C(NC1CC1)c1cccc(OCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001592967078 1349730236 /nfs/dbraw/zinc/73/02/36/1349730236.db2.gz RQPMGXMSSWMDLU-UHFFFAOYSA-N -1 1 341.396 2.399 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)c(Cl)c1F ZINC001593245521 1349749360 /nfs/dbraw/zinc/74/93/60/1349749360.db2.gz QZWRTHDMYUWVAR-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)c(Cl)c1F ZINC001593245521 1349749362 /nfs/dbraw/zinc/74/93/62/1349749362.db2.gz QZWRTHDMYUWVAR-UHFFFAOYSA-N -1 1 336.689 2.446 20 0 EEADMM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)o1 ZINC001593279983 1349759339 /nfs/dbraw/zinc/75/93/39/1349759339.db2.gz GWZOTWDGEMURAY-GFCCVEGCSA-N -1 1 338.323 2.204 20 0 EEADMM O=C(COC(=O)c1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001593282819 1349761827 /nfs/dbraw/zinc/76/18/27/1349761827.db2.gz GVBMVFOFQLQSCZ-UHFFFAOYSA-N -1 1 349.306 2.048 20 0 EEADMM O=C(COC(=O)c1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001593282819 1349761832 /nfs/dbraw/zinc/76/18/32/1349761832.db2.gz GVBMVFOFQLQSCZ-UHFFFAOYSA-N -1 1 349.306 2.048 20 0 EEADMM O=C(OC[C@H]1CCc2cccnc21)c1sccc1-c1nn[n-]n1 ZINC001593287413 1349763805 /nfs/dbraw/zinc/76/38/05/1349763805.db2.gz XOZFFXYFWCADIL-SNVBAGLBSA-N -1 1 327.369 2.210 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](OC2CCC2)CC1 ZINC001593338142 1349784507 /nfs/dbraw/zinc/78/45/07/1349784507.db2.gz NRGLJDOHCPBVPZ-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](OC2CCC2)CC1 ZINC001593338142 1349784508 /nfs/dbraw/zinc/78/45/08/1349784508.db2.gz NRGLJDOHCPBVPZ-LBPRGKRZSA-N -1 1 347.444 2.492 20 0 EEADMM O=S(=O)(NC1CCCCCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593437042 1349800368 /nfs/dbraw/zinc/80/03/68/1349800368.db2.gz UOIOHWZQKGMDPA-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM O=S(=O)(NC1CCCCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593437042 1349800370 /nfs/dbraw/zinc/80/03/70/1349800370.db2.gz UOIOHWZQKGMDPA-UHFFFAOYSA-N -1 1 341.462 2.319 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)[C@@H]3CCC[C@H]23)cc1 ZINC001593574251 1349858644 /nfs/dbraw/zinc/85/86/44/1349858644.db2.gz YSJXCYVMJGKIPM-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)[C@@H]3CCC[C@H]23)cc1 ZINC001593574251 1349858648 /nfs/dbraw/zinc/85/86/48/1349858648.db2.gz YSJXCYVMJGKIPM-IJEWVQPXSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc(OCc2cccc(Nc3ccnc(-c4nn[n-]n4)n3)c2)cc1 ZINC001593576395 1349859522 /nfs/dbraw/zinc/85/95/22/1349859522.db2.gz AJXPIFDKIQTIOE-UHFFFAOYSA-N -1 1 345.366 2.401 20 0 EEADMM c1cnn(Cc2ccc(NCc3nc(-c4nnn[n-]4)cs3)cc2)c1 ZINC001593589681 1349867548 /nfs/dbraw/zinc/86/75/48/1349867548.db2.gz LOOWLDVVYRYZEM-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1cnn(Cc2ccc(NCc3nc(-c4nn[n-]n4)cs3)cc2)c1 ZINC001593589681 1349867551 /nfs/dbraw/zinc/86/75/51/1349867551.db2.gz LOOWLDVVYRYZEM-UHFFFAOYSA-N -1 1 338.400 2.180 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CN1CCn2nc(C3CC3)cc2C1 ZINC001593594575 1349869214 /nfs/dbraw/zinc/86/92/14/1349869214.db2.gz TVZMBTMJMYMMJB-UHFFFAOYSA-N -1 1 327.417 2.018 20 0 EEADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC001600013055 1349955610 /nfs/dbraw/zinc/95/56/10/1349955610.db2.gz XWSDGUVENCZBSR-IJLUTSLNSA-N -1 1 327.812 2.126 20 0 EEADMM Cc1cc(C[N@@H+](CCC(=O)[O-])CC(=O)[O-])cc(C)c1OC(F)F ZINC001600191058 1349988500 /nfs/dbraw/zinc/98/85/00/1349988500.db2.gz WVGMKPJZMQONTF-UHFFFAOYSA-N -1 1 331.315 2.266 20 0 EEADMM Cc1cc(N2CCCC2)ccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600241642 1350000285 /nfs/dbraw/zinc/00/02/85/1350000285.db2.gz MROWFDUKWGBNML-GDBMZVCRSA-N -1 1 345.443 2.329 20 0 EEADMM Cc1cc(NC(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)nc(C)c1C(=O)[O-] ZINC001600251667 1350001917 /nfs/dbraw/zinc/00/19/17/1350001917.db2.gz FQQBOCRTAZGSGJ-UFBFGSQYSA-N -1 1 328.372 2.424 20 0 EEADMM Cc1ccc(-c2nnc(CN3CCN(CCC(=O)[O-])C[C@@H]3C)o2)cc1 ZINC001600319122 1350019418 /nfs/dbraw/zinc/01/94/18/1350019418.db2.gz FQNWSZUOKQTQKM-AWEZNQCLSA-N -1 1 344.415 2.026 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c(C(C)C)n1 ZINC001600334094 1350022505 /nfs/dbraw/zinc/02/25/05/1350022505.db2.gz UMLVVVXBJHGRHN-CQSZACIVSA-N -1 1 333.432 2.134 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H](CCO)CC1 ZINC001600356610 1350028161 /nfs/dbraw/zinc/02/81/61/1350028161.db2.gz INWPZEAQWODAAE-CQSZACIVSA-N -1 1 334.416 2.116 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC001600371882 1350032319 /nfs/dbraw/zinc/03/23/19/1350032319.db2.gz HONHZRALOZONTC-CABCVRRESA-N -1 1 333.432 2.246 20 0 EEADMM Cc1ccc([C@H](N)C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001600380352 1350035027 /nfs/dbraw/zinc/03/50/27/1350035027.db2.gz HPZVJIOOZCXQMI-CVEARBPZSA-N -1 1 330.359 2.119 20 0 EEADMM Cc1ccc(C)c(NC(=O)[C@H](C)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c1 ZINC001600389025 1350037902 /nfs/dbraw/zinc/03/79/02/1350037902.db2.gz VOBRNYMOXRGXLU-SQWLQELKSA-N -1 1 334.416 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COc1cc([N-]S(=O)(=O)c2cnoc2C)c(Cl)c(OC)c1 ZINC001187376069 1368238069 /nfs/dbraw/zinc/23/80/69/1368238069.db2.gz KDUYXFLPMXNWBA-UHFFFAOYSA-N -1 1 332.765 2.454 20 0 EEADMM C[C@H](C(=O)[N-]OCCN1CCCC1=O)c1ccc(C(F)(F)F)cc1 ZINC000856044729 1369405280 /nfs/dbraw/zinc/40/52/80/1369405280.db2.gz URFUODPWRYQIOK-NSHDSACASA-N -1 1 344.333 2.479 20 0 EEADMM CCC[C@@H](C)CC(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001070648223 1370348178 /nfs/dbraw/zinc/34/81/78/1370348178.db2.gz AUHYEXCMONRQFB-ZIAGYGMSSA-N -1 1 333.432 2.334 20 0 EEADMM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001071952065 1370585838 /nfs/dbraw/zinc/58/58/38/1370585838.db2.gz HHXLSGDUODWELC-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccc(N2CCNC2=O)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000782496611 1371302962 /nfs/dbraw/zinc/30/29/62/1371302962.db2.gz YAKKLHBRAUWAEA-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc3ccc(F)cc3s2)C1=O ZINC000784843085 1371449611 /nfs/dbraw/zinc/44/96/11/1371449611.db2.gz CQYXUCCWVNAUNB-OAHLLOKOSA-N -1 1 335.360 2.406 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000797766790 1371545269 /nfs/dbraw/zinc/54/52/69/1371545269.db2.gz QUPQYTBQAIKWOH-KPZWWZAWSA-N -1 1 349.431 2.024 20 0 EEADMM COc1ccccc1CO[N-]C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000799090982 1371628090 /nfs/dbraw/zinc/62/80/90/1371628090.db2.gz ADICYBXLTYUJQT-CQSZACIVSA-N -1 1 332.400 2.034 20 0 EEADMM Cc1cc(C)nc(NC[C@H](C2CC2)N(C)C(=O)c2ncccc2[O-])n1 ZINC001115507613 1371650379 /nfs/dbraw/zinc/65/03/79/1371650379.db2.gz FSNSYFICZDYCCO-CQSZACIVSA-N -1 1 341.415 2.157 20 0 EEADMM CC(C)(C)SCCCC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831133731 1372367313 /nfs/dbraw/zinc/36/73/13/1372367313.db2.gz CEYOTQCMLOEJAH-UHFFFAOYSA-N -1 1 340.411 2.435 20 0 EEADMM O=C([O-])[C@H](F)CNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000837295761 1372779620 /nfs/dbraw/zinc/77/96/20/1372779620.db2.gz FATKOPFCMMTWMK-SSDOTTSWSA-N -1 1 349.689 2.060 20 0 EEADMM O=C(NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1ccc([O-])c(F)c1 ZINC000848335240 1373133922 /nfs/dbraw/zinc/13/39/22/1373133922.db2.gz ZXUJPLPVYHAMDW-VIFPVBQESA-N -1 1 348.296 2.062 20 0 EEADMM CS[C@H](C)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848340938 1373136457 /nfs/dbraw/zinc/13/64/57/1373136457.db2.gz JTQVXHNKYTVKMO-OPRDCNLKSA-N -1 1 326.384 2.186 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2CC(c3ccc(C)cc3)=NO2)n1 ZINC001361437377 1373291777 /nfs/dbraw/zinc/29/17/77/1373291777.db2.gz GHCSSDAHEAFIPN-CQSZACIVSA-N -1 1 342.355 2.027 20 0 EEADMM CC(C)(C)CC(=O)N[C@@H](CNCc1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC001374361026 1376726953 /nfs/dbraw/zinc/72/69/53/1376726953.db2.gz QEMBLCKXOKBVEN-ZDUSSCGKSA-N -1 1 337.468 2.101 20 0 EEADMM CC[C@@H](CNC(=O)c1c(C)cccc1C)NC(=O)c1ncccc1[O-] ZINC001375252952 1377543789 /nfs/dbraw/zinc/54/37/89/1377543789.db2.gz RLZUCTRLWXEYBK-AWEZNQCLSA-N -1 1 341.411 2.342 20 0 EEADMM CCCCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001378100870 1379712488 /nfs/dbraw/zinc/71/24/88/1379712488.db2.gz ZJRVGJKORAVARN-UONOGXRCSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@@H](NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C)c1ncccn1 ZINC001382514999 1382110429 /nfs/dbraw/zinc/11/04/29/1382110429.db2.gz LROAPCBCHVSOOI-OCCSQVGLSA-N -1 1 343.431 2.073 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)C1(C)CCCC1)C1CC1 ZINC001383591553 1382582002 /nfs/dbraw/zinc/58/20/02/1382582002.db2.gz FHXYTQRLEPXREW-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1sccc1C(=O)N[C@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001383699489 1382646851 /nfs/dbraw/zinc/64/68/51/1382646851.db2.gz GXQVRKSMYBLOOZ-SNVBAGLBSA-N -1 1 333.413 2.048 20 0 EEADMM C[C@@H](NC(=O)CCC1CC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386461882 1386150958 /nfs/dbraw/zinc/15/09/58/1386150958.db2.gz ODHVEQZAZNCGAU-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N(CCNC(=O)c1ncccc1[O-])C1CC1 ZINC001387480199 1386767080 /nfs/dbraw/zinc/76/70/80/1386767080.db2.gz CBPSHKVFCIUAFR-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cc(C)c(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)C)o1 ZINC001391574042 1389449358 /nfs/dbraw/zinc/44/93/58/1389449358.db2.gz CILWRBAYMYRHOP-ZDUSSCGKSA-N -1 1 345.399 2.181 20 0 EEADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001391588155 1389455190 /nfs/dbraw/zinc/45/51/90/1389455190.db2.gz YBWLCHJDNDJGFP-RBSFLKMASA-N -1 1 347.459 2.484 20 0 EEADMM CCCC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001392348453 1389999788 /nfs/dbraw/zinc/99/97/88/1389999788.db2.gz MAGDHMPZUZBHPO-VXGBXAGGSA-N -1 1 348.447 2.120 20 0 EEADMM Cc1cc(Cl)ccc1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392772954 1390190799 /nfs/dbraw/zinc/19/07/99/1390190799.db2.gz GOYCAVOSHFSMTG-NSHDSACASA-N -1 1 347.802 2.297 20 0 EEADMM O=C(CCC1CC1)NC[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC001395258762 1390808651 /nfs/dbraw/zinc/80/86/51/1390808651.db2.gz QCLMHMRQJIOOFR-OAHLLOKOSA-N -1 1 345.443 2.478 20 0 EEADMM CCCCC(=O)N[C@H]1CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001397155736 1391112962 /nfs/dbraw/zinc/11/29/62/1391112962.db2.gz AXNWNSBJSUFLEY-ZDUSSCGKSA-N -1 1 348.447 2.135 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)CC(C)(C)C ZINC001400110052 1395926417 /nfs/dbraw/zinc/92/64/17/1395926417.db2.gz GVNNIZVHGGGQIK-CHWSQXEVSA-N -1 1 335.448 2.484 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)Cc1cc(F)ccc1F ZINC001403112218 1398386370 /nfs/dbraw/zinc/38/63/70/1398386370.db2.gz GEJJVZMMDLXTNN-LLVKDONJSA-N -1 1 335.354 2.316 20 0 EEADMM Cc1ccc(C)c(C(=O)N[C@@H](CNCc2n[nH]c(=O)[n-]2)C(C)(C)C)c1 ZINC001423612490 1400689719 /nfs/dbraw/zinc/68/97/19/1400689719.db2.gz DACYWHSZJGPZQL-AWEZNQCLSA-N -1 1 345.447 2.061 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2c(F)cccc2F)c1 ZINC001424139266 1400926670 /nfs/dbraw/zinc/92/66/70/1400926670.db2.gz XZFCBQOAKIFLOG-UHFFFAOYSA-N -1 1 343.351 2.500 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001424498864 1401136416 /nfs/dbraw/zinc/13/64/16/1401136416.db2.gz HLXJFDMRWJAXER-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CN1C(=O)c1ncccc1[O-] ZINC001425595926 1401652429 /nfs/dbraw/zinc/65/24/29/1401652429.db2.gz FUGKFCVHMIDJMK-TZMCWYRMSA-N -1 1 345.443 2.333 20 0 EEADMM CC[C@@H](CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001426873599 1402234482 /nfs/dbraw/zinc/23/44/82/1402234482.db2.gz CBJXKLRRTBWBLH-SOUVJXGZSA-N -1 1 347.459 2.484 20 0 EEADMM CCc1occc1C(=O)NC[C@@H](C)N(CC)C(=O)c1ncccc1[O-] ZINC001428645146 1402774770 /nfs/dbraw/zinc/77/47/70/1402774770.db2.gz PUSPODXCXOICEB-GFCCVEGCSA-N -1 1 345.399 2.223 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H](C)c1ccco1 ZINC001431793808 1403128261 /nfs/dbraw/zinc/12/82/61/1403128261.db2.gz HGTSJQXGTROZPX-CYBMUJFWSA-N -1 1 345.399 2.152 20 0 EEADMM CCCC(=O)N(CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C1CC1 ZINC001431899390 1403149501 /nfs/dbraw/zinc/14/95/01/1403149501.db2.gz AXTOLMBCNYGGTD-UHFFFAOYSA-N -1 1 348.447 2.135 20 0 EEADMM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001574727523 1403525605 /nfs/dbraw/zinc/52/56/05/1403525605.db2.gz OEOYITGRNUUART-UHFFFAOYSA-N -1 1 325.328 2.367 20 0 EEADMM CCC(=O)N1CCC(CC)(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001576415640 1403573536 /nfs/dbraw/zinc/57/35/36/1403573536.db2.gz YVYWANDJVPTHPD-UHFFFAOYSA-N -1 1 349.464 2.225 20 0 EEADMM CCC[C@@H](CC)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001577309396 1403637119 /nfs/dbraw/zinc/63/71/19/1403637119.db2.gz MNWGQTFIWFGROV-LLVKDONJSA-N -1 1 348.476 2.055 20 0 EEADMM Cc1ccc(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1F ZINC001581207781 1403878479 /nfs/dbraw/zinc/87/84/79/1403878479.db2.gz XDOSDLQPCQJZHR-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM Cc1ccc(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1F ZINC001581207781 1403878483 /nfs/dbraw/zinc/87/84/83/1403878483.db2.gz XDOSDLQPCQJZHR-UHFFFAOYSA-N -1 1 333.352 2.092 20 0 EEADMM CCOC(=O)C1=CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001590757173 1403899378 /nfs/dbraw/zinc/89/93/78/1403899378.db2.gz CBPPQLSJOVATAO-ZETCQYMHSA-N -1 1 340.796 2.040 20 0 EEADMM COc1ccccc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001591650389 1403934791 /nfs/dbraw/zinc/93/47/91/1403934791.db2.gz NBXGXRDSFYGDEU-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccccc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001591650389 1403934793 /nfs/dbraw/zinc/93/47/93/1403934793.db2.gz NBXGXRDSFYGDEU-UHFFFAOYSA-N -1 1 345.309 2.084 20 0 EEADMM COc1ccccc1OCCCNc1cc(C)nc(-c2nnn[n-]2)c1 ZINC001591652178 1403935603 /nfs/dbraw/zinc/93/56/03/1403935603.db2.gz CUURDUUZEDOBHM-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM COc1ccccc1OCCCNc1cc(C)nc(-c2nn[n-]n2)c1 ZINC001591652178 1403935613 /nfs/dbraw/zinc/93/56/13/1403935613.db2.gz CUURDUUZEDOBHM-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC001591892691 1403969462 /nfs/dbraw/zinc/96/94/62/1403969462.db2.gz ZHOHDKCFAOMZOF-KWCYVHTRSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)n1 ZINC001591892691 1403969469 /nfs/dbraw/zinc/96/94/69/1403969469.db2.gz ZHOHDKCFAOMZOF-KWCYVHTRSA-N -1 1 339.790 2.369 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC001591892943 1403970527 /nfs/dbraw/zinc/97/05/27/1403970527.db2.gz URIVBJMQKHOUQK-LDYMZIIASA-N -1 1 329.314 2.211 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC001591892943 1403970532 /nfs/dbraw/zinc/97/05/32/1403970532.db2.gz URIVBJMQKHOUQK-LDYMZIIASA-N -1 1 329.314 2.211 20 0 EEADMM Cc1nsc(NC(=O)NCC(C2CC2)C2CC2)c1-c1nnn[n-]1 ZINC001592481271 1404700873 /nfs/dbraw/zinc/70/08/73/1404700873.db2.gz KMJHTADQJPWKNU-UHFFFAOYSA-N -1 1 333.421 2.189 20 0 EEADMM Cc1nsc(NC(=O)NCC(C2CC2)C2CC2)c1-c1nn[n-]n1 ZINC001592481271 1404700879 /nfs/dbraw/zinc/70/08/79/1404700879.db2.gz KMJHTADQJPWKNU-UHFFFAOYSA-N -1 1 333.421 2.189 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2ccccc2)C1 ZINC001592913430 1404729781 /nfs/dbraw/zinc/72/97/81/1404729781.db2.gz HJJVDRPKOJNNBZ-MRXNPFEDSA-N -1 1 348.410 2.210 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2ccccc2)C1 ZINC001592913430 1404729788 /nfs/dbraw/zinc/72/97/88/1404729788.db2.gz HJJVDRPKOJNNBZ-MRXNPFEDSA-N -1 1 348.410 2.210 20 0 EEADMM O=C(NCC1=CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593021653 1404733510 /nfs/dbraw/zinc/73/35/10/1404733510.db2.gz NBCFQALEWKRFNR-UHFFFAOYSA-N -1 1 325.785 2.208 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001593061149 1404739800 /nfs/dbraw/zinc/73/98/00/1404739800.db2.gz INZFCFSBXYGVOC-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC001593061149 1404739804 /nfs/dbraw/zinc/73/98/04/1404739804.db2.gz INZFCFSBXYGVOC-MRVPVSSYSA-N -1 1 327.360 2.484 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](F)Cc2ccccc2)c1-c1nnn[n-]1 ZINC001606148476 1404769203 /nfs/dbraw/zinc/76/92/03/1404769203.db2.gz JVKHUNCRGCXIPB-JTQLQIEISA-N -1 1 332.364 2.151 20 0 EEADMM Cc1nsc(NC(=O)[C@@H](F)Cc2ccccc2)c1-c1nn[n-]n1 ZINC001606148476 1404769208 /nfs/dbraw/zinc/76/92/08/1404769208.db2.gz JVKHUNCRGCXIPB-JTQLQIEISA-N -1 1 332.364 2.151 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)n1ccccc1=Nc1ccccc1 ZINC001606170502 1404773310 /nfs/dbraw/zinc/77/33/10/1404773310.db2.gz DKOFJDCZLYYMNG-UHFFFAOYSA-N -1 1 346.350 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)n1ccccc1=Nc1ccccc1 ZINC001606170502 1404773314 /nfs/dbraw/zinc/77/33/14/1404773314.db2.gz DKOFJDCZLYYMNG-UHFFFAOYSA-N -1 1 346.350 2.491 20 0 EEADMM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@@H]1C1CC1 ZINC000262024519 1405809426 /nfs/dbraw/zinc/80/94/26/1405809426.db2.gz GKZWCROPWQVYCJ-KGLIPLIRSA-N -1 1 343.358 2.399 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H](C)CCCNC(=O)c1ncccc1[O-] ZINC001756277253 1408279796 /nfs/dbraw/zinc/27/97/96/1408279796.db2.gz RUSAKSMODHLTHV-LBPRGKRZSA-N -1 1 331.372 2.017 20 0 EEADMM CC(C)=CC(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1 ZINC001757492394 1409742273 /nfs/dbraw/zinc/74/22/73/1409742273.db2.gz YIKZMFIZTLOIES-CQSZACIVSA-N -1 1 331.416 2.254 20 0 EEADMM CCCC(O)(CCC)CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000439964628 1409864176 /nfs/dbraw/zinc/86/41/76/1409864176.db2.gz XMIMFAYHHNMBOM-UHFFFAOYSA-N -1 1 347.419 2.439 20 0 EEADMM Cc1cc(CN2CCCN(C(=O)c3ccc([O-])c(F)c3)CC2)no1 ZINC001771656931 1409903655 /nfs/dbraw/zinc/90/36/55/1409903655.db2.gz VHPANSWXNVYCIW-UHFFFAOYSA-N -1 1 333.363 2.176 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)o1 ZINC001771921230 1409981898 /nfs/dbraw/zinc/98/18/98/1409981898.db2.gz OLBFWIFGNNRNAY-HNNXBMFYSA-N -1 1 331.372 2.072 20 0 EEADMM O=C([O-])c1ccccc1Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001210967681 758217898 /nfs/dbraw/zinc/21/78/98/758217898.db2.gz QWFKHJQAXWENTH-UHFFFAOYSA-N -1 1 341.411 2.243 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)CC(C)(C)O)c(=O)[n-]1 ZINC000835423484 760935402 /nfs/dbraw/zinc/93/54/02/760935402.db2.gz KYFBONDPLCRIGM-VIFPVBQESA-N -1 1 328.434 2.238 20 0 EEADMM Cc1ccc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)nn1 ZINC001125857964 764987605 /nfs/dbraw/zinc/98/76/05/764987605.db2.gz RJZCAULEGDMSEQ-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM CC(C)c1cccc(CN2CC(CNC(=O)c3ncccc3[O-])C2)n1 ZINC001031627056 770436764 /nfs/dbraw/zinc/43/67/64/770436764.db2.gz BIUFGCJNDJOZAI-UHFFFAOYSA-N -1 1 340.427 2.167 20 0 EEADMM O=C(NC[C@@H]1C[C@@H](NC(=O)C2=CCCCCC2)C1)c1ncccc1[O-] ZINC000979665078 770807297 /nfs/dbraw/zinc/80/72/97/770807297.db2.gz NEWHMQZTOUXMCJ-CTYIDZIISA-N -1 1 343.427 2.302 20 0 EEADMM CCC(CC)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C1 ZINC000979697379 770879902 /nfs/dbraw/zinc/87/99/02/770879902.db2.gz ITLGVXKNQTXILG-SOUVJXGZSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000980144251 773943392 /nfs/dbraw/zinc/94/33/92/773943392.db2.gz DLCHUQHDPIAZBP-JXQTWKCFSA-N -1 1 345.443 2.381 20 0 EEADMM CC1(C(=O)NC2CCC(NC(=O)c3ncccc3[O-])CC2)CC=CC1 ZINC000980145449 773945649 /nfs/dbraw/zinc/94/56/49/773945649.db2.gz LHHOPLOMHWOCJE-UHFFFAOYSA-N -1 1 343.427 2.301 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC000942754887 783137308 /nfs/dbraw/zinc/13/73/08/783137308.db2.gz RXUQVUNSRIKQHM-AWEZNQCLSA-N -1 1 345.443 2.286 20 0 EEADMM CCN(C(=O)[C@H]1CC12CCC2)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000942792824 783214317 /nfs/dbraw/zinc/21/43/17/783214317.db2.gz PBISLNAFCYNJAJ-UONOGXRCSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(NC[C@H]1CCC[N@@H+]1C/C=C/Cl)c1cc(=O)[nH]c(C2CC2)n1 ZINC001027956089 775015098 /nfs/dbraw/zinc/01/50/98/775015098.db2.gz OACFDFKQTHJBGW-RDNKVPPGSA-N -1 1 336.823 2.006 20 0 EEADMM O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)c1cnc[nH]c1=O ZINC001027957617 775050984 /nfs/dbraw/zinc/05/09/84/775050984.db2.gz GCEUEVVYFKIBBR-AWEZNQCLSA-N -1 1 346.818 2.230 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000939655733 777109740 /nfs/dbraw/zinc/10/97/40/777109740.db2.gz RJUKQPVGZYWSFL-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)(C)c1nsc(N[C@H]2CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001058879121 777135834 /nfs/dbraw/zinc/13/58/34/777135834.db2.gz ORSAJMLDIIRZTO-JTQLQIEISA-N -1 1 347.444 2.263 20 0 EEADMM CCc1ccsc1C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000940134915 778144587 /nfs/dbraw/zinc/14/45/87/778144587.db2.gz UTYPNCPCVVBQQB-GFCCVEGCSA-N -1 1 345.424 2.056 20 0 EEADMM C#CCOc1ccc(NC(=O)NCCn2c(C)n[n-]c2=S)cc1 ZINC000084322416 790891194 /nfs/dbraw/zinc/89/11/94/790891194.db2.gz XLLWGTUGMYXHSO-UHFFFAOYSA-N -1 1 331.401 2.083 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CCN1Cc1ccc(F)cc1 ZINC001087543841 781786206 /nfs/dbraw/zinc/78/62/06/781786206.db2.gz JUQTWKGENRVAQH-LSDHHAIUSA-N -1 1 346.406 2.346 20 0 EEADMM C[C@@H]1CC([NH2+]CCOP(=O)([O-])[O-])C[C@@H](C)N1Cc1ccccc1 ZINC001168015896 781830397 /nfs/dbraw/zinc/83/03/97/781830397.db2.gz TVTPVUAAWULWSA-ZIAGYGMSSA-N -1 1 342.376 2.127 20 0 EEADMM O=C(NCc1cn(-c2ccccc2)nn1)c1c(F)ccc([O-])c1F ZINC000809713032 783329355 /nfs/dbraw/zinc/32/93/55/783329355.db2.gz CGOOQXUPLCFPSE-UHFFFAOYSA-N -1 1 330.294 2.181 20 0 EEADMM CC(C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1)=C1CCC1 ZINC000945311865 783831773 /nfs/dbraw/zinc/83/17/73/783831773.db2.gz LDCLOMNDNBODDQ-WFASDCNBSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](NC(=O)C1=CCCC1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000945626868 784465193 /nfs/dbraw/zinc/46/51/93/784465193.db2.gz ZSSYKYPGSZAJOC-UKRRQHHQSA-N -1 1 343.427 2.254 20 0 EEADMM CCCOCC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493089 784795369 /nfs/dbraw/zinc/79/53/69/784795369.db2.gz RFQMNLBFDMNFAG-LBPRGKRZSA-N -1 1 344.333 2.049 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000945758393 784833361 /nfs/dbraw/zinc/83/33/61/784833361.db2.gz XFSCJCWFRLMZQS-STQMWFEESA-N -1 1 349.406 2.408 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)c1ccoc1 ZINC000945761161 784839835 /nfs/dbraw/zinc/83/98/35/784839835.db2.gz ZDCWKSDOAVBOIO-GXTWGEPZSA-N -1 1 343.383 2.051 20 0 EEADMM Cc1cnc([C@@H](C)N[C@@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)o1 ZINC000995714711 785285150 /nfs/dbraw/zinc/28/51/50/785285150.db2.gz YOYGHNVDZCBASW-TZMCWYRMSA-N -1 1 344.415 2.285 20 0 EEADMM CCC(CC)(CNC(=O)NCc1n[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000818625764 785306826 /nfs/dbraw/zinc/30/68/26/785306826.db2.gz SVHMHXMYXZUCCK-UHFFFAOYSA-N -1 1 345.403 2.162 20 0 EEADMM CCC(CC)(CNC(=O)NCc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000818625764 785306839 /nfs/dbraw/zinc/30/68/39/785306839.db2.gz SVHMHXMYXZUCCK-UHFFFAOYSA-N -1 1 345.403 2.162 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000908439563 785414848 /nfs/dbraw/zinc/41/48/48/785414848.db2.gz WSCVQQBDFFEXQT-CQSZACIVSA-N -1 1 329.400 2.091 20 0 EEADMM O=C(c1ccc(F)cc1[O-])N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706798949 785706146 /nfs/dbraw/zinc/70/61/46/785706146.db2.gz MSWGGHKQRDKJCC-UHFFFAOYSA-N -1 1 326.371 2.489 20 0 EEADMM Cc1ccccc1C(C)(C)CNC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000908760434 785706155 /nfs/dbraw/zinc/70/61/55/785706155.db2.gz RJVWCRHYOBEHSH-OAHLLOKOSA-N -1 1 332.444 2.185 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCS[C@H](c3ccccc3)C2)C1 ZINC000908806389 785739499 /nfs/dbraw/zinc/73/94/99/785739499.db2.gz PGQMDSMPFFISID-CVEARBPZSA-N -1 1 348.468 2.100 20 0 EEADMM CCCN(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)[C@H](C)C(=O)[O-] ZINC000908818832 785754537 /nfs/dbraw/zinc/75/45/37/785754537.db2.gz IIXNRNYLQSPRSU-DOMZBBRYSA-N -1 1 339.411 2.323 20 0 EEADMM Cc1cc(C)cc(C[C@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000908832686 785778858 /nfs/dbraw/zinc/77/88/58/785778858.db2.gz MZGQXTVZFXGCDL-DOTOQJQBSA-N -1 1 332.444 2.147 20 0 EEADMM Cc1ccc2nc(CNC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])[nH]c2c1 ZINC000909010767 785910503 /nfs/dbraw/zinc/91/05/03/785910503.db2.gz WIKNWMYVZGYKCJ-RISCZKNCSA-N -1 1 330.388 2.266 20 0 EEADMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc2[nH]cnc21 ZINC000908985760 785916012 /nfs/dbraw/zinc/91/60/12/785916012.db2.gz VYWNLFJZSYDTFY-GFCCVEGCSA-N -1 1 333.388 2.152 20 0 EEADMM O=C([O-])COc1ccc(NC(=O)CN2CCCC2)c2ccccc12 ZINC000909074054 785969475 /nfs/dbraw/zinc/96/94/75/785969475.db2.gz MCEAWEKNRXKMOJ-UHFFFAOYSA-N -1 1 328.368 2.338 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2ccc(CN3CCCCC3)o2)o1 ZINC000909261020 786135595 /nfs/dbraw/zinc/13/55/95/786135595.db2.gz FEMLBSPOTDVENJ-UHFFFAOYSA-N -1 1 332.356 2.487 20 0 EEADMM CO[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)[C@@H](C(=O)[O-])C1 ZINC000909982988 786380764 /nfs/dbraw/zinc/38/07/64/786380764.db2.gz OXTRRUZMVJKTRL-IUODEOHRSA-N -1 1 335.404 2.162 20 0 EEADMM CS(C)(=O)=NS(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000820754270 786445060 /nfs/dbraw/zinc/44/50/60/786445060.db2.gz ZACPDBQIMLSGEF-UHFFFAOYSA-N -1 1 338.454 2.338 20 0 EEADMM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H]2CCC[C@@H]21 ZINC000910238312 786561324 /nfs/dbraw/zinc/56/13/24/786561324.db2.gz BQKYQDJVWJWDQQ-RBSFLKMASA-N -1 1 340.383 2.187 20 0 EEADMM COc1ccc2c(c1)N(C(=O)CN1CCC[C@H](C(=O)[O-])C1)CCCC2 ZINC000910253063 786582279 /nfs/dbraw/zinc/58/22/79/786582279.db2.gz LNAPSOVETBFVTJ-HNNXBMFYSA-N -1 1 346.427 2.161 20 0 EEADMM Cc1cc(CNC[C@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])no1 ZINC001036540431 786610793 /nfs/dbraw/zinc/61/07/93/786610793.db2.gz VVZHXESKJYGCBN-DOMZBBRYSA-N -1 1 344.415 2.114 20 0 EEADMM CCN(CC)[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000910339882 786670066 /nfs/dbraw/zinc/67/00/66/786670066.db2.gz ITYMNZNWRGOBOR-WFXMFSGNSA-N -1 1 330.428 2.439 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000910418768 786748649 /nfs/dbraw/zinc/74/86/49/786748649.db2.gz PWADZEHRBNPNHR-SDBXPKJASA-N -1 1 331.294 2.064 20 0 EEADMM CO[C@](C)(C(=O)Nc1cc(F)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000910986394 787164960 /nfs/dbraw/zinc/16/49/60/787164960.db2.gz LRBGAMULABVGMZ-OAHLLOKOSA-N -1 1 331.315 2.356 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(CN2CCOCC2)o1 ZINC000910990793 787168316 /nfs/dbraw/zinc/16/83/16/787168316.db2.gz LQPBAQUIOMDDDG-UHFFFAOYSA-N -1 1 338.310 2.348 20 0 EEADMM CCCc1cc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC000911041502 787209187 /nfs/dbraw/zinc/20/91/87/787209187.db2.gz QPNFUIANICFOEM-SECBINFHSA-N -1 1 334.401 2.147 20 0 EEADMM Cc1ncc(C(=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000911103308 787244131 /nfs/dbraw/zinc/24/41/31/787244131.db2.gz XQFQYUWVNNDEST-CYBMUJFWSA-N -1 1 333.413 2.182 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000911106624 787247828 /nfs/dbraw/zinc/24/78/28/787247828.db2.gz LYZQKFWZQUXSFD-OAHLLOKOSA-N -1 1 342.395 2.219 20 0 EEADMM CCN(CC)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000911158192 787278021 /nfs/dbraw/zinc/27/80/21/787278021.db2.gz MKHKMEXJEQBVAJ-LLVKDONJSA-N -1 1 336.310 2.257 20 0 EEADMM CN(C)[C@@H](CNC(=O)c1cccc(CC(=O)[O-])c1)c1ccsc1 ZINC000911192081 787290842 /nfs/dbraw/zinc/29/08/42/787290842.db2.gz ALFNUARYRNLMKW-HNNXBMFYSA-N -1 1 332.425 2.408 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1C(=O)[O-] ZINC000911441858 787452801 /nfs/dbraw/zinc/45/28/01/787452801.db2.gz SIXDEPVJWRWFCH-MRXNPFEDSA-N -1 1 346.427 2.020 20 0 EEADMM C[C@@H](C(=O)NC[C@H]1CCCCN1C(=O)c1ncccc1[O-])C1CCC1 ZINC001062149543 787484704 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EEADMM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(-c2nnn[n-]2)nn1 ZINC000824152573 788064375 /nfs/dbraw/zinc/06/43/75/788064375.db2.gz IEUOPICDPGJBNG-LLVKDONJSA-N -1 1 339.407 2.098 20 0 EEADMM CC(C)(C)n1ncc2c1CCC[C@H]2Nc1ccc(-c2nn[n-]n2)nn1 ZINC000824152573 788064383 /nfs/dbraw/zinc/06/43/83/788064383.db2.gz IEUOPICDPGJBNG-LLVKDONJSA-N -1 1 339.407 2.098 20 0 EEADMM CSCC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc21)c1nn[n-]n1 ZINC000912859965 788417525 /nfs/dbraw/zinc/41/75/25/788417525.db2.gz FVJSECRVXPCQAG-AWEZNQCLSA-N -1 1 344.444 2.143 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(SC)ccc1C)c1nn[n-]n1 ZINC000912860477 788418712 /nfs/dbraw/zinc/41/87/12/788418712.db2.gz WALGRYBPJVHNLH-LBPRGKRZSA-N -1 1 337.474 2.454 20 0 EEADMM CSCC[C@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1nn[n-]n1 ZINC000912861433 788421683 /nfs/dbraw/zinc/42/16/83/788421683.db2.gz KYLMRIPXQAWAAO-YPMHNXCESA-N -1 1 341.481 2.238 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1nn[n-]n1 ZINC000912861776 788422882 /nfs/dbraw/zinc/42/28/82/788422882.db2.gz 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798651082 /nfs/dbraw/zinc/65/10/82/798651082.db2.gz REVQKWFJGAGAKK-UHFFFAOYSA-N -1 1 347.322 2.067 20 0 EEADMM COCCc1ccccc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000786099609 806684747 /nfs/dbraw/zinc/68/47/47/806684747.db2.gz MTUQXUUEILMBBD-UHFFFAOYSA-N -1 1 347.392 2.347 20 0 EEADMM Cc1cc(C(=O)Nc2c[nH]c3ccccc23)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC001179047217 799749280 /nfs/dbraw/zinc/74/92/80/799749280.db2.gz FPEQZTLIUJLFSF-UHFFFAOYSA-N -1 1 335.323 2.478 20 0 EEADMM C[C@@](O)(CC(=O)Nc1nc(Br)ccc1[O-])C(F)(F)F ZINC001179805340 800111201 /nfs/dbraw/zinc/11/12/01/800111201.db2.gz ZWFNRABUSRWYRL-SECBINFHSA-N -1 1 343.099 2.192 20 0 EEADMM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc([O-])c(F)cc1F)CS2 ZINC000827777693 800510133 /nfs/dbraw/zinc/51/01/33/800510133.db2.gz KWNFQFJDNQSRIR-IINYFYTJSA-N -1 1 328.340 2.063 20 0 EEADMM CSc1nc(NC(=O)Cc2c[nH]c3ccc(O)cc23)cc(=O)[n-]1 ZINC001180657703 800516109 /nfs/dbraw/zinc/51/61/09/800516109.db2.gz HPBUPLQXTAXGBV-UHFFFAOYSA-N -1 1 330.369 2.272 20 0 EEADMM 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COC[C@@H](OC(=O)CCc1c(C)nc(SC)[n-]c1=O)C1CC1 ZINC000748955566 577969360 /nfs/dbraw/zinc/96/93/60/577969360.db2.gz VSGACHYCWKQPAC-GFCCVEGCSA-N -1 1 326.418 2.113 20 0 EEADMM CCN(CC)C(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000749368514 577975148 /nfs/dbraw/zinc/97/51/48/577975148.db2.gz VDFGAFNARKPFAJ-GFCCVEGCSA-N -1 1 348.340 2.483 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Oc2c(F)cc(C=O)cc2F)c[n-]1 ZINC000750167176 577988261 /nfs/dbraw/zinc/98/82/61/577988261.db2.gz PWSVKGWZHYJWLJ-UHFFFAOYSA-N -1 1 330.312 2.392 20 0 EEADMM CC(C)c1ncc(S(=O)(=O)Oc2c(F)cc(C=O)cc2F)[n-]1 ZINC000750167176 577988260 /nfs/dbraw/zinc/98/82/60/577988260.db2.gz PWSVKGWZHYJWLJ-UHFFFAOYSA-N -1 1 330.312 2.392 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2oc(C)cc2C)cc1 ZINC000750407385 577991601 /nfs/dbraw/zinc/99/16/01/577991601.db2.gz UITDYGYQRVPDQQ-UHFFFAOYSA-N -1 1 331.324 2.018 20 0 EEADMM O=C([O-])C1(NCC(=O)NCC2(c3ccccc3)CC2)CCCCC1 ZINC000739309941 578047896 /nfs/dbraw/zinc/04/78/96/578047896.db2.gz 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/nfs/dbraw/zinc/18/31/44/578183144.db2.gz RDJQCEAMOLHRCQ-NSHDSACASA-N -1 1 342.837 2.358 20 0 EEADMM C[C@](O)(CNc1snc(Cl)c1-c1nn[n-]n1)c1ccsc1 ZINC000736143116 578183145 /nfs/dbraw/zinc/18/31/45/578183145.db2.gz RDJQCEAMOLHRCQ-NSHDSACASA-N -1 1 342.837 2.358 20 0 EEADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736199233 578186736 /nfs/dbraw/zinc/18/67/36/578186736.db2.gz WPFBBKGPHCWZHX-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736199233 578186737 /nfs/dbraw/zinc/18/67/37/578186737.db2.gz WPFBBKGPHCWZHX-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000736333294 578196999 /nfs/dbraw/zinc/19/69/99/578196999.db2.gz PXVUGCSOLVKUAH-UHFFFAOYSA-N -1 1 337.445 2.220 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)cc1 ZINC000736360231 578198975 /nfs/dbraw/zinc/19/89/75/578198975.db2.gz AIYNUEWQFDSEPO-CQSZACIVSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)cc1 ZINC000736360231 578198976 /nfs/dbraw/zinc/19/89/76/578198976.db2.gz AIYNUEWQFDSEPO-CQSZACIVSA-N -1 1 338.371 2.151 20 0 EEADMM CCCC[C@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)C(=O)OC ZINC000736436043 578203624 /nfs/dbraw/zinc/20/36/24/578203624.db2.gz ABFPQPMGSDJCCB-JTQLQIEISA-N -1 1 336.421 2.097 20 0 EEADMM CN(C)c1ccc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1 ZINC000736781026 578223242 /nfs/dbraw/zinc/22/32/42/578223242.db2.gz VAJAGIYTBIPLDU-UHFFFAOYSA-N -1 1 333.359 2.015 20 0 EEADMM CN(C)c1ccc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1 ZINC000736781026 578223243 /nfs/dbraw/zinc/22/32/43/578223243.db2.gz VAJAGIYTBIPLDU-UHFFFAOYSA-N -1 1 333.359 2.015 20 0 EEADMM CN(CCCOc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736798127 578224293 /nfs/dbraw/zinc/22/42/93/578224293.db2.gz QBANHQOIMZJWAZ-UHFFFAOYSA-N -1 1 328.351 2.306 20 0 EEADMM CN(CCCOc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736798127 578224294 /nfs/dbraw/zinc/22/42/94/578224294.db2.gz QBANHQOIMZJWAZ-UHFFFAOYSA-N -1 1 328.351 2.306 20 0 EEADMM COc1ccc(C[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737087393 578237347 /nfs/dbraw/zinc/23/73/47/578237347.db2.gz NCHGNNYMEXOKHF-LLVKDONJSA-N -1 1 339.355 2.058 20 0 EEADMM COc1ccc(C[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737087393 578237348 /nfs/dbraw/zinc/23/73/48/578237348.db2.gz NCHGNNYMEXOKHF-LLVKDONJSA-N -1 1 339.355 2.058 20 0 EEADMM CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000737164228 578241556 /nfs/dbraw/zinc/24/15/56/578241556.db2.gz BNXDUMDWKOGISK-CABCVRRESA-N -1 1 334.416 2.459 20 0 EEADMM CCS[C@H]1CCCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000737232103 578244974 /nfs/dbraw/zinc/24/49/74/578244974.db2.gz XXGHMVMEWHTPAV-AWEZNQCLSA-N -1 1 342.505 2.498 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCC(C)(C)O)n1 ZINC000737245354 578245833 /nfs/dbraw/zinc/24/58/33/578245833.db2.gz NOGACEABXMQYIP-UHFFFAOYSA-N -1 1 333.339 2.452 20 0 EEADMM Cc1c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)oc2c1c(C)ccc2C ZINC000737326138 578250542 /nfs/dbraw/zinc/25/05/42/578250542.db2.gz MEFJPWCZIYXYED-LBPRGKRZSA-N -1 1 341.371 2.085 20 0 EEADMM CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000737359092 578252565 /nfs/dbraw/zinc/25/25/65/578252565.db2.gz SFPMWSXEGLHHAW-SFHVURJKSA-N -1 1 340.423 2.216 20 0 EEADMM CSC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCOCC1 ZINC000821951349 599053382 /nfs/dbraw/zinc/05/33/82/599053382.db2.gz XBNMOVCCGNMKNC-UHFFFAOYSA-N -1 1 346.869 2.301 20 0 EEADMM CSC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCOCC1 ZINC000821951349 599053385 /nfs/dbraw/zinc/05/33/85/599053385.db2.gz XBNMOVCCGNMKNC-UHFFFAOYSA-N -1 1 346.869 2.301 20 0 EEADMM CC(C)C[C@H](NC(=O)Nc1ccccc1N1CCN(C)CC1)C(=O)[O-] ZINC000819988174 597386157 /nfs/dbraw/zinc/38/61/57/597386157.db2.gz BJGROIOEMZHUFX-HNNXBMFYSA-N -1 1 348.447 2.059 20 0 EEADMM COCCOc1cc(C)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821692748 607308021 /nfs/dbraw/zinc/30/80/21/607308021.db2.gz AARPNDXWIDIWPG-UHFFFAOYSA-N -1 1 329.360 2.405 20 0 EEADMM COCCOc1cc(C)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821692748 607308022 /nfs/dbraw/zinc/30/80/22/607308022.db2.gz AARPNDXWIDIWPG-UHFFFAOYSA-N -1 1 329.360 2.405 20 0 EEADMM Fc1cc(NCc2ccc(-c3nnn[n-]3)o2)cc(N2CCOCC2)c1 ZINC000822753967 607315100 /nfs/dbraw/zinc/31/51/00/607315100.db2.gz ULYXJVVMDXJYRV-UHFFFAOYSA-N -1 1 344.350 2.048 20 0 EEADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)o2)cc(N2CCOCC2)c1 ZINC000822753967 607315101 /nfs/dbraw/zinc/31/51/01/607315101.db2.gz ULYXJVVMDXJYRV-UHFFFAOYSA-N -1 1 344.350 2.048 20 0 EEADMM CC(=O)NCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819810567 607316586 /nfs/dbraw/zinc/31/65/86/607316586.db2.gz NCTVZGATKAHPNY-UHFFFAOYSA-N -1 1 328.401 2.176 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN3CCC[C@@H](CC(=O)[O-])C3)C2)c1 ZINC000821112195 597759119 /nfs/dbraw/zinc/75/91/19/597759119.db2.gz JBRPWHMPFSKABT-DOTOQJQBSA-N -1 1 330.428 2.455 20 0 EEADMM CN1CCN(c2ccccc2NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000820626019 598154278 /nfs/dbraw/zinc/15/42/78/598154278.db2.gz GNAHBMPIJQWJGO-UHFFFAOYSA-N -1 1 339.395 2.389 20 0 EEADMM OCCC1(CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000823718148 599687679 /nfs/dbraw/zinc/68/76/79/599687679.db2.gz QPQBWFOSXAFFCG-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM OCCC1(CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000823718148 599687680 /nfs/dbraw/zinc/68/76/80/599687680.db2.gz QPQBWFOSXAFFCG-UHFFFAOYSA-N -1 1 328.829 2.331 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CC2 ZINC000405361492 600300919 /nfs/dbraw/zinc/30/09/19/600300919.db2.gz PEWLBWHPUHHPTJ-JYJNAYRXSA-N -1 1 334.460 2.354 20 0 EEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(C)cc2c[nH]nc21 ZINC000262443383 600499336 /nfs/dbraw/zinc/49/93/36/600499336.db2.gz VBXFKVXOEYESAG-ZDUSSCGKSA-N -1 1 347.415 2.461 20 0 EEADMM COc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c(C(=O)[O-])cc1OC ZINC000832016481 600884364 /nfs/dbraw/zinc/88/43/64/600884364.db2.gz DKOKWHMIENAAPG-PHIMTYICSA-N -1 1 336.388 2.213 20 0 EEADMM C[C@@](NCC(=O)Nc1cccc(C(F)(F)F)c1)(C(=O)[O-])C1CC1 ZINC000827728552 601036764 /nfs/dbraw/zinc/03/67/64/601036764.db2.gz SIZRPKJGGRDGNH-AWEZNQCLSA-N -1 1 330.306 2.487 20 0 EEADMM Cc1nc2ccc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2o1 ZINC000833004671 601128301 /nfs/dbraw/zinc/12/83/01/601128301.db2.gz SJTCZVHNLVUSEC-NSHDSACASA-N -1 1 346.387 2.149 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000827368502 601131407 /nfs/dbraw/zinc/13/14/07/601131407.db2.gz DGJOURZKKAUYSL-CYBMUJFWSA-N -1 1 347.415 2.024 20 0 EEADMM CC(C)C[C@@H](NC(=O)CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC000826788498 601157705 /nfs/dbraw/zinc/15/77/05/601157705.db2.gz YQADWHFUPBXGGP-CQSZACIVSA-N -1 1 342.505 2.354 20 0 EEADMM CC(C)C[C@H](NC(=O)CN1CC[C@](C)(c2ccccc2)C1)C(=O)[O-] ZINC000826786005 601543367 /nfs/dbraw/zinc/54/33/67/601543367.db2.gz IZRIYDJDWRHPJB-LPHOPBHVSA-N -1 1 332.444 2.266 20 0 EEADMM CN(C)Cc1ccsc1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000830624051 601558290 /nfs/dbraw/zinc/55/82/90/601558290.db2.gz PMSJZBPSYIBLTI-UHFFFAOYSA-N -1 1 348.424 2.317 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]2COCC[C@H]21 ZINC000832915384 601662748 /nfs/dbraw/zinc/66/27/48/601662748.db2.gz JBPORHPDXDKBGK-GOEBONIOSA-N -1 1 332.400 2.133 20 0 EEADMM O[C@H](CCNc1cc(-c2nnn[n-]2)nc2ccccc21)C(F)(F)F ZINC000826502698 607520037 /nfs/dbraw/zinc/52/00/37/607520037.db2.gz IZMGERHONZIUKK-GFCCVEGCSA-N -1 1 338.293 2.140 20 0 EEADMM O[C@H](CCNc1cc(-c2nn[n-]n2)nc2ccccc21)C(F)(F)F ZINC000826502698 607520038 /nfs/dbraw/zinc/52/00/38/607520038.db2.gz IZMGERHONZIUKK-GFCCVEGCSA-N -1 1 338.293 2.140 20 0 EEADMM O=C([O-])C[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000833217741 601760278 /nfs/dbraw/zinc/76/02/78/601760278.db2.gz MADKXQBEOBFJSR-QMMMGPOBSA-N -1 1 334.155 2.015 20 0 EEADMM CC[C@@H](C)[C@@H](NCC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000828736100 601844473 /nfs/dbraw/zinc/84/44/73/601844473.db2.gz GCHZZDQYOGVABH-NOZJJQNGSA-N -1 1 343.221 2.477 20 0 EEADMM O=C([O-])c1cccc(N2CC(=O)N(CN3CCCCCCC3)C2=O)c1 ZINC000833330512 601871483 /nfs/dbraw/zinc/87/14/83/601871483.db2.gz WASMVWVIAUSYIG-UHFFFAOYSA-N -1 1 345.399 2.377 20 0 EEADMM Cc1ccc(SCCNC(=O)CN[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000832958021 601872683 /nfs/dbraw/zinc/87/26/83/601872683.db2.gz QDXZQMGBEIXANF-HNNXBMFYSA-N -1 1 338.473 2.292 20 0 EEADMM CC(C)[C@H](C)N(C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826681898 601873780 /nfs/dbraw/zinc/87/37/80/601873780.db2.gz UATPHZBLZNBXPI-LBPRGKRZSA-N -1 1 333.388 2.087 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1[C@H]1CCCN(c2ccccc2)C1=O ZINC000833222910 601925250 /nfs/dbraw/zinc/92/52/50/601925250.db2.gz RIICTOQZOFVJIB-GJZGRUSLSA-N -1 1 334.441 2.074 20 0 EEADMM Cc1nc(-c2ccc(OCc3ccnc(-c4nnn[n-]4)c3)cc2)no1 ZINC000826322575 607544146 /nfs/dbraw/zinc/54/41/46/607544146.db2.gz SJKDUSJAKZCSCP-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM Cc1nc(-c2ccc(OCc3ccnc(-c4nn[n-]n4)c3)cc2)no1 ZINC000826322575 607544148 /nfs/dbraw/zinc/54/41/48/607544148.db2.gz SJKDUSJAKZCSCP-UHFFFAOYSA-N -1 1 335.327 2.199 20 0 EEADMM CC(C)NC(=O)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824304579 607548407 /nfs/dbraw/zinc/54/84/07/607548407.db2.gz BOAZOGRQELRWGJ-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM CC(C)NC(=O)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824304579 607548410 /nfs/dbraw/zinc/54/84/10/607548410.db2.gz BOAZOGRQELRWGJ-UHFFFAOYSA-N -1 1 337.387 2.012 20 0 EEADMM c1cc(CNc2ccc(O[C@H]3CCOC3)cc2)cc(-c2nnn[n-]2)n1 ZINC000826516385 607552451 /nfs/dbraw/zinc/55/24/51/607552451.db2.gz IVYWYZNPKLWPDD-HNNXBMFYSA-N -1 1 338.371 2.042 20 0 EEADMM c1cc(CNc2ccc(O[C@H]3CCOC3)cc2)cc(-c2nn[n-]n2)n1 ZINC000826516385 607552453 /nfs/dbraw/zinc/55/24/53/607552453.db2.gz IVYWYZNPKLWPDD-HNNXBMFYSA-N -1 1 338.371 2.042 20 0 EEADMM CCOC(=O)CC[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000825506048 608018763 /nfs/dbraw/zinc/01/87/63/608018763.db2.gz CJSALEQMYIUFPM-LURJTMIESA-N -1 1 330.801 2.120 20 0 EEADMM CCOC(=O)CC[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000825506048 608018764 /nfs/dbraw/zinc/01/87/64/608018764.db2.gz CJSALEQMYIUFPM-LURJTMIESA-N -1 1 330.801 2.120 20 0 EEADMM CN(CC(=O)[O-])C(=O)CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000830692689 604453094 /nfs/dbraw/zinc/45/30/94/604453094.db2.gz RVMZGEWWJFBCNW-HNNXBMFYSA-N -1 1 340.370 2.425 20 0 EEADMM Cc1cnc(N)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833753805 605006169 /nfs/dbraw/zinc/00/61/69/605006169.db2.gz CXNHGAGUPBNXJN-UHFFFAOYSA-N -1 1 341.776 2.125 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2ccc(C(=O)[O-])[nH]2)C1 ZINC000833441587 605105677 /nfs/dbraw/zinc/10/56/77/605105677.db2.gz IHLQKENZRJHBRJ-GFCCVEGCSA-N -1 1 337.420 2.450 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(C(F)F)c1 ZINC000833626920 605106471 /nfs/dbraw/zinc/10/64/71/605106471.db2.gz SHWUKFQDMFOUFQ-LLVKDONJSA-N -1 1 326.343 2.245 20 0 EEADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833609680 605137487 /nfs/dbraw/zinc/13/74/87/605137487.db2.gz RWMBLTPVIDQISO-ILXRZTDVSA-N -1 1 325.453 2.003 20 0 EEADMM CC(C)N(C)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833495894 605195673 /nfs/dbraw/zinc/19/56/73/605195673.db2.gz FBCCYJWJFFQSHO-UHFFFAOYSA-N -1 1 329.194 2.426 20 0 EEADMM Cc1nc2n(n1)C[C@@H](N[C@@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC000833756402 605359647 /nfs/dbraw/zinc/35/96/47/605359647.db2.gz JWMBBBFXQPTADZ-LKFCYVNXSA-N -1 1 338.770 2.109 20 0 EEADMM Cc1cccc2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)cn21 ZINC000822340928 606134474 /nfs/dbraw/zinc/13/44/74/606134474.db2.gz NMTXXGCUPAXAPF-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM Cc1cccc2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)cn21 ZINC000822340928 606134475 /nfs/dbraw/zinc/13/44/75/606134475.db2.gz NMTXXGCUPAXAPF-UHFFFAOYSA-N -1 1 340.368 2.241 20 0 EEADMM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822345714 606171151 /nfs/dbraw/zinc/17/11/51/606171151.db2.gz PTFUJUNSIFRWSZ-LLVKDONJSA-N -1 1 340.391 2.134 20 0 EEADMM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822345714 606171153 /nfs/dbraw/zinc/17/11/53/606171153.db2.gz PTFUJUNSIFRWSZ-LLVKDONJSA-N -1 1 340.391 2.134 20 0 EEADMM Cc1nsc(N(C)C(=O)CCOc2ccccc2)c1-c1nnn[n-]1 ZINC000822531148 606239090 /nfs/dbraw/zinc/23/90/90/606239090.db2.gz UXYZISXGLKIMDT-UHFFFAOYSA-N -1 1 344.400 2.064 20 0 EEADMM Cc1nsc(N(C)C(=O)CCOc2ccccc2)c1-c1nn[n-]n1 ZINC000822531148 606239092 /nfs/dbraw/zinc/23/90/92/606239092.db2.gz UXYZISXGLKIMDT-UHFFFAOYSA-N -1 1 344.400 2.064 20 0 EEADMM CCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC000820943839 606391941 /nfs/dbraw/zinc/39/19/41/606391941.db2.gz BWNYWVIPAAHVLS-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000822198857 606523276 /nfs/dbraw/zinc/52/32/76/606523276.db2.gz MGPDFIKYLFIASH-SNVBAGLBSA-N -1 1 330.373 2.202 20 0 EEADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000822198857 606523278 /nfs/dbraw/zinc/52/32/78/606523278.db2.gz MGPDFIKYLFIASH-SNVBAGLBSA-N -1 1 330.373 2.202 20 0 EEADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144193 606573739 /nfs/dbraw/zinc/57/37/39/606573739.db2.gz CRBBKWTWZNVPHF-NEPJUHHUSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144193 606573741 /nfs/dbraw/zinc/57/37/41/606573741.db2.gz CRBBKWTWZNVPHF-NEPJUHHUSA-N -1 1 325.397 2.289 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000823436385 606652292 /nfs/dbraw/zinc/65/22/92/606652292.db2.gz SMWJBFWJVAAUPV-UHFFFAOYSA-N -1 1 347.338 2.009 20 0 EEADMM CCC(CC)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820897897 606801473 /nfs/dbraw/zinc/80/14/73/606801473.db2.gz PXBPDEATPLKULI-UHFFFAOYSA-N -1 1 333.392 2.249 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821707561 606871413 /nfs/dbraw/zinc/87/14/13/606871413.db2.gz AUOARBDHESYNPH-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821707561 606871414 /nfs/dbraw/zinc/87/14/14/606871414.db2.gz AUOARBDHESYNPH-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C12CCC2 ZINC000821367466 606930284 /nfs/dbraw/zinc/93/02/84/606930284.db2.gz KLVLMIDNVIPKON-NEPJUHHUSA-N -1 1 334.401 2.433 20 0 EEADMM CCO[C@@H]1C[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C12CCC2 ZINC000821367466 606930285 /nfs/dbraw/zinc/93/02/85/606930285.db2.gz KLVLMIDNVIPKON-NEPJUHHUSA-N -1 1 334.401 2.433 20 0 EEADMM CN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825980866 607864948 /nfs/dbraw/zinc/86/49/48/607864948.db2.gz JLQVBEDBGYWOBA-UHFFFAOYSA-N -1 1 341.346 2.043 20 0 EEADMM CN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825980866 607864949 /nfs/dbraw/zinc/86/49/49/607864949.db2.gz JLQVBEDBGYWOBA-UHFFFAOYSA-N -1 1 341.346 2.043 20 0 EEADMM O=C(CNc1cccc(Cl)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826414144 607998232 /nfs/dbraw/zinc/99/82/32/607998232.db2.gz HQYZOTBXZPEDPT-UHFFFAOYSA-N -1 1 344.762 2.276 20 0 EEADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(Cl)cc1Cl ZINC000826425111 608013774 /nfs/dbraw/zinc/01/37/74/608013774.db2.gz QBTABSRZBQMHRE-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(Cl)cc1Cl ZINC000826425111 608013775 /nfs/dbraw/zinc/01/37/75/608013775.db2.gz QBTABSRZBQMHRE-UHFFFAOYSA-N -1 1 338.158 2.009 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825485606 608187716 /nfs/dbraw/zinc/18/77/16/608187716.db2.gz HPMQOYIZGOFTNZ-RXMQYKEDSA-N -1 1 333.826 2.410 20 0 EEADMM CCOC(=O)[C@@H](CC)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825485606 608187718 /nfs/dbraw/zinc/18/77/18/608187718.db2.gz HPMQOYIZGOFTNZ-RXMQYKEDSA-N -1 1 333.826 2.410 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)c1ccccc1F ZINC000826467403 608249159 /nfs/dbraw/zinc/24/91/59/608249159.db2.gz UXIWDVQYUAZNBV-UHFFFAOYSA-N -1 1 349.272 2.236 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)c1ccccc1F ZINC000826467403 608249162 /nfs/dbraw/zinc/24/91/62/608249162.db2.gz UXIWDVQYUAZNBV-UHFFFAOYSA-N -1 1 349.272 2.236 20 0 EEADMM COc1c(C)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826167096 608323621 /nfs/dbraw/zinc/32/36/21/608323621.db2.gz PHZUDONQCHOPJC-UHFFFAOYSA-N -1 1 339.355 2.244 20 0 EEADMM COc1c(C)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826167096 608323622 /nfs/dbraw/zinc/32/36/22/608323622.db2.gz PHZUDONQCHOPJC-UHFFFAOYSA-N -1 1 339.355 2.244 20 0 EEADMM CC1(C)c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824817043 608335572 /nfs/dbraw/zinc/33/55/72/608335572.db2.gz KFKFNTXUJXSCDP-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM CC1(C)c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824817043 608335574 /nfs/dbraw/zinc/33/55/74/608335574.db2.gz KFKFNTXUJXSCDP-UHFFFAOYSA-N -1 1 334.383 2.195 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000825224720 608399980 /nfs/dbraw/zinc/39/99/80/608399980.db2.gz BZGYOMPJEUMGQT-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM CCCC(=O)Nc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000825224720 608399982 /nfs/dbraw/zinc/39/99/82/608399982.db2.gz BZGYOMPJEUMGQT-UHFFFAOYSA-N -1 1 338.375 2.007 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC000824457749 608420909 /nfs/dbraw/zinc/42/09/09/608420909.db2.gz RMVLNTPNJUKNDH-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC000824457749 608420911 /nfs/dbraw/zinc/42/09/11/608420911.db2.gz RMVLNTPNJUKNDH-JTQLQIEISA-N -1 1 329.795 2.378 20 0 EEADMM Fc1cccc(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826376880 608429563 /nfs/dbraw/zinc/42/95/63/608429563.db2.gz WUUISYLIRUJCHP-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM Fc1cccc(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826376880 608429565 /nfs/dbraw/zinc/42/95/65/608429565.db2.gz WUUISYLIRUJCHP-UHFFFAOYSA-N -1 1 325.351 2.180 20 0 EEADMM CSCc1cc(F)ccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826229054 608430311 /nfs/dbraw/zinc/43/03/11/608430311.db2.gz NGFFTYSFKNRWHD-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM CSCc1cc(F)ccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826229054 608430313 /nfs/dbraw/zinc/43/03/13/608430313.db2.gz NGFFTYSFKNRWHD-UHFFFAOYSA-N -1 1 331.380 2.271 20 0 EEADMM Fc1cccc(-n2ccc(NC[C@H]3CCCOC3)n2)c1-c1nn[n-]n1 ZINC000826376853 609279503 /nfs/dbraw/zinc/27/95/03/609279503.db2.gz VSYDVZGAMMAGJB-LLVKDONJSA-N -1 1 343.366 2.030 20 0 EEADMM CC[C@H](C)[C@H](C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825059941 609642081 /nfs/dbraw/zinc/64/20/81/609642081.db2.gz MIFJSQWECUFTJX-IUCAKERBSA-N -1 1 349.391 2.240 20 0 EEADMM O=C(NNC(=O)c1cc(Cl)ccc1[O-])Nc1ccnn1CC1CC1 ZINC000160155648 674581648 /nfs/dbraw/zinc/58/16/48/674581648.db2.gz LSQGHEZCHWCWLX-UHFFFAOYSA-N -1 1 349.778 2.119 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)[C@@H]1CCCC1(C)C ZINC001020489606 674924493 /nfs/dbraw/zinc/92/44/93/674924493.db2.gz XBGJPPTXDZEIAS-IHRRRGAJSA-N -1 1 345.443 2.333 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(Cc2ccnc(Cl)c2)C1 ZINC000969546477 675095619 /nfs/dbraw/zinc/09/56/19/675095619.db2.gz JFVXNMPNCUEEOQ-LLVKDONJSA-N -1 1 346.818 2.086 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1cc(O)ccc1Cl)c1ncccc1[O-] ZINC001038195461 676100800 /nfs/dbraw/zinc/10/08/00/676100800.db2.gz UGGJHFWNLMBMPD-LBPRGKRZSA-N -1 1 347.802 2.151 20 0 EEADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CC[C@H](O)[C@H](F)C3)c2)o1 ZINC000890680399 675319293 /nfs/dbraw/zinc/31/92/93/675319293.db2.gz YAFMSXHZYFZMIK-HIFRSBDPSA-N -1 1 333.315 2.010 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1CNC(=O)C1CCCC1 ZINC001020737212 675462339 /nfs/dbraw/zinc/46/23/39/675462339.db2.gz ZNASGVRTMZBQQE-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000891327067 676387874 /nfs/dbraw/zinc/38/78/74/676387874.db2.gz FNQOGXLPORUEAS-JSGCOSHPSA-N -1 1 346.456 2.297 20 0 EEADMM C[C@H](CC(=O)NNC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC000161050517 676699781 /nfs/dbraw/zinc/69/97/81/676699781.db2.gz QFBFDLQYCJIOBW-SNVBAGLBSA-N -1 1 333.775 2.395 20 0 EEADMM COCc1nc(NCc2cccnc2OCC(F)(F)F)cc(=O)[n-]1 ZINC000891757419 676819416 /nfs/dbraw/zinc/81/94/16/676819416.db2.gz QNJYYOBQNOZWBY-UHFFFAOYSA-N -1 1 344.293 2.277 20 0 EEADMM O=C(CC1CCCC1)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000971895415 677780293 /nfs/dbraw/zinc/78/02/93/677780293.db2.gz DEOGCQYNUHDRHC-HUUCEWRRSA-N -1 1 343.427 2.040 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@H]3CCC[C@@H]3C2)co1 ZINC000187713826 678585175 /nfs/dbraw/zinc/58/51/75/678585175.db2.gz MNXMWIASRBLDJI-NQBHXWOUSA-N -1 1 327.402 2.313 20 0 EEADMM Cc1nc(CC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cs1 ZINC000052549133 679235818 /nfs/dbraw/zinc/23/58/18/679235818.db2.gz ASBLHKUPAXOFHW-UHFFFAOYSA-N -1 1 327.768 2.248 20 0 EEADMM Cc1cnc(C[N@@H+]2CCC[C@H](CNC(=O)c3ncccc3[O-])C2)s1 ZINC001023328142 679255399 /nfs/dbraw/zinc/25/53/99/679255399.db2.gz KSNOSCDPJFTBAT-CYBMUJFWSA-N -1 1 346.456 2.194 20 0 EEADMM Cc1ncc(CN2CCCC[C@@H]2CNC(=O)c2ncccc2[O-])s1 ZINC001024408061 679891794 /nfs/dbraw/zinc/89/17/94/679891794.db2.gz WHHLZRSCMFKCOB-CYBMUJFWSA-N -1 1 346.456 2.337 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000909535402 685277140 /nfs/dbraw/zinc/27/71/40/685277140.db2.gz WUSTYKJOASHMAJ-APWZRJJASA-N -1 1 332.444 2.311 20 0 EEADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCSC[C@H]2c2ccccc2)C1 ZINC000909404088 681267629 /nfs/dbraw/zinc/26/76/29/681267629.db2.gz YRMDOQPJQKTSKC-CVEARBPZSA-N -1 1 348.468 2.100 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCSC[C@H]2c2ccccc2)C1 ZINC000909404088 681267631 /nfs/dbraw/zinc/26/76/31/681267631.db2.gz YRMDOQPJQKTSKC-CVEARBPZSA-N -1 1 348.468 2.100 20 0 EEADMM Cn1nc(C2CC2)cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000935595092 681403269 /nfs/dbraw/zinc/40/32/69/681403269.db2.gz TYNCFTRYZXQGCV-UHFFFAOYSA-N -1 1 337.177 2.413 20 0 EEADMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1c([O-])cccc1Cl ZINC000924878248 681648816 /nfs/dbraw/zinc/64/88/16/681648816.db2.gz WHESOYQEYGEFAK-JQWIXIFHSA-N -1 1 341.791 2.276 20 0 EEADMM CCc1nnsc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007439631 681828902 /nfs/dbraw/zinc/82/89/02/681828902.db2.gz SAQSBHMQQDZBKO-UHFFFAOYSA-N -1 1 332.337 2.270 20 0 EEADMM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC000982673263 682001336 /nfs/dbraw/zinc/00/13/36/682001336.db2.gz ODEKLOIORZTDDY-GFCCVEGCSA-N -1 1 345.424 2.049 20 0 EEADMM CC1(C)CCC[C@@H](C(=O)N2CCCC[C@@H]2CNCc2n[nH]c(=O)[n-]2)C1 ZINC001025171189 682146731 /nfs/dbraw/zinc/14/67/31/682146731.db2.gz JLQJAMRORWEKNI-ZIAGYGMSSA-N -1 1 349.479 2.197 20 0 EEADMM O=C(N[C@@H]1CCC[C@H](NC(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC000983439683 682665138 /nfs/dbraw/zinc/66/51/38/682665138.db2.gz WWRKAPWGJAUWHI-LSDHHAIUSA-N -1 1 339.395 2.258 20 0 EEADMM Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)c3ncccc3O)C2)on1 ZINC001025397081 682671090 /nfs/dbraw/zinc/67/10/90/682671090.db2.gz LLUVUPHETFRYHO-ZIAGYGMSSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1cnc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)c3ncccc3[O-])C2)o1 ZINC001025396255 682673860 /nfs/dbraw/zinc/67/38/60/682673860.db2.gz GKAULDDZEUMLIT-UONOGXRCSA-N -1 1 344.415 2.114 20 0 EEADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncccc2[O-])CCC1 ZINC000973638508 682853461 /nfs/dbraw/zinc/85/34/61/682853461.db2.gz QTMRKJABOIBGCF-AGUYFDCRSA-N -1 1 343.427 2.229 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000973662975 682867963 /nfs/dbraw/zinc/86/79/63/682867963.db2.gz KBAJENWEDBAJNK-VAQLIOGMSA-N -1 1 343.427 2.085 20 0 EEADMM Cc1cocc1C(=O)N[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC000983572889 682882593 /nfs/dbraw/zinc/88/25/93/682882593.db2.gz JACVYEYLXKLRIX-STQMWFEESA-N -1 1 343.383 2.160 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)C1(F)CCCC1)c1ncccc1[O-] ZINC000937430002 683379369 /nfs/dbraw/zinc/37/93/69/683379369.db2.gz PCLRVWGKVDNFOL-ZDUSSCGKSA-N -1 1 349.406 2.180 20 0 EEADMM COc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000914384078 683546651 /nfs/dbraw/zinc/54/66/51/683546651.db2.gz LTKSUKXNSDJJGM-LLVKDONJSA-N -1 1 348.415 2.125 20 0 EEADMM CCOC(=O)[C@@H](CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000840685045 683680957 /nfs/dbraw/zinc/68/09/57/683680957.db2.gz HXCDPCDKKIMBPC-GFCCVEGCSA-N -1 1 334.324 2.131 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(F)c3occc32)CC1 ZINC000899538614 693782469 /nfs/dbraw/zinc/78/24/69/693782469.db2.gz VZDUFWKVKNZWSR-LLVKDONJSA-N -1 1 334.347 2.193 20 0 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330.428 2.144 20 0 EEADMM CN(CCc1cnccn1)c1nnc(-c2ccc(Cl)cc2[O-])n1C ZINC001339667972 1337048511 /nfs/dbraw/zinc/04/85/11/1337048511.db2.gz VKWUASUCDAKJQV-UHFFFAOYSA-N -1 1 344.806 2.310 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC001609871366 1352108285 /nfs/dbraw/zinc/10/82/85/1352108285.db2.gz NKZMPRPFPJLEFW-LBPRGKRZSA-N -1 1 325.478 2.421 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CN1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC001609899858 1352114741 /nfs/dbraw/zinc/11/47/41/1352114741.db2.gz MTXASDXMOHTJRT-FZKQIMNGSA-N -1 1 348.443 2.187 20 0 EEADMM CC[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(=O)[O-] ZINC001609931647 1352123107 /nfs/dbraw/zinc/12/31/07/1352123107.db2.gz NLCQDJZZAHDGSV-QWHCGFSZSA-N -1 1 342.342 2.236 20 0 EEADMM CCCN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC001609972846 1352133118 /nfs/dbraw/zinc/13/31/18/1352133118.db2.gz IBUOUWNGPWDWNP-HNNXBMFYSA-N -1 1 349.431 2.488 20 0 EEADMM CC[C@H](C)Oc1ccccc1C=CC(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347973103 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EEADMM CCc1nc(C2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)CC2)n[nH]1 ZINC001610074195 1352156067 /nfs/dbraw/zinc/15/60/67/1352156067.db2.gz RVJVGHOWKJYGAR-UHFFFAOYSA-N -1 1 348.447 2.498 20 0 EEADMM COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC001610159617 1352176438 /nfs/dbraw/zinc/17/64/38/1352176438.db2.gz RZYBIJDFDDPVND-BXUZGUMPSA-N -1 1 349.280 2.379 20 0 EEADMM O=C(c1ccc(-c2ccccc2)s1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001354111792 1338425406 /nfs/dbraw/zinc/42/54/06/1338425406.db2.gz SSRIARSREHOQIO-LBPRGKRZSA-N -1 1 341.396 2.142 20 0 EEADMM Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1oncc1C(=O)[O-] ZINC001610396272 1352215904 /nfs/dbraw/zinc/21/59/04/1352215904.db2.gz CHNITAZYNKKLTQ-UHFFFAOYSA-N -1 1 327.296 2.428 20 0 EEADMM C[C@H](CNCc1nc(N(C)C)n(-c2ccccc2)c1Cl)C(=O)[O-] ZINC000848639689 1338734855 /nfs/dbraw/zinc/73/48/55/1338734855.db2.gz JDSKYSCQEZLBKW-LLVKDONJSA-N -1 1 336.823 2.402 20 0 EEADMM Cc1ccc(C(=O)[O-])c(O)c1NS(=O)(=O)c1ccc(F)cc1 ZINC001610485305 1352230611 /nfs/dbraw/zinc/23/06/11/1352230611.db2.gz BWDVLJDMACHANK-UHFFFAOYSA-N -1 1 325.317 2.339 20 0 EEADMM CON(C)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000849409226 1339155918 /nfs/dbraw/zinc/15/59/18/1339155918.db2.gz VSPTWIGNRKNQKY-UHFFFAOYSA-N -1 1 334.850 2.326 20 0 EEADMM NC(=O)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001610638896 1352256830 /nfs/dbraw/zinc/25/68/30/1352256830.db2.gz RXLWVBVESTYBGO-MRXNPFEDSA-N -1 1 332.787 2.283 20 0 EEADMM O=C([O-])c1ccccc1NC(=O)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC001610664658 1352258554 /nfs/dbraw/zinc/25/85/54/1352258554.db2.gz WPJMQPJHUKTRIH-KGLIPLIRSA-N -1 1 332.400 2.072 20 0 EEADMM O=C([O-])CCNC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC001610774001 1352272157 /nfs/dbraw/zinc/27/21/57/1352272157.db2.gz DXVVONPMJGUYJZ-UHFFFAOYSA-N -1 1 331.199 2.163 20 0 EEADMM CCCCC(=O)N[C@@H](C)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001428750916 1339665212 /nfs/dbraw/zinc/66/52/12/1339665212.db2.gz YXQNEYSHPJPZQO-NSHDSACASA-N -1 1 336.436 2.039 20 0 EEADMM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ncccc1[O-])c1ccccc1 ZINC001431003403 1340405123 /nfs/dbraw/zinc/40/51/23/1340405123.db2.gz KNEABBKNSFBBLH-UONOGXRCSA-N -1 1 341.411 2.073 20 0 EEADMM CC(C)(C)CCC(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001431763549 1340720093 /nfs/dbraw/zinc/72/00/93/1340720093.db2.gz ZVPFNLYUJDJTSJ-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(NCC1(NC(=O)c2ncccc2[O-])CCCC1)C1=CCCC1 ZINC001432834285 1341408475 /nfs/dbraw/zinc/40/84/75/1341408475.db2.gz NEQFHRZINIIGOH-UHFFFAOYSA-N -1 1 329.400 2.056 20 0 EEADMM CC(C)[C@@H](CNC(=O)CCC1(C)CC1)NC(=O)c1ncccc1[O-] ZINC001433127307 1341508647 /nfs/dbraw/zinc/50/86/47/1341508647.db2.gz GVKZIWCIMHWVFS-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CSc1nc(CNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc(=O)[n-]1 ZINC001434121421 1341769319 /nfs/dbraw/zinc/76/93/19/1341769319.db2.gz JKMQAQKTJRUABB-MRVPVSSYSA-N -1 1 335.433 2.054 20 0 EEADMM CC[C@H](C)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C1CCCC1 ZINC001434141314 1341777131 /nfs/dbraw/zinc/77/71/31/1341777131.db2.gz QHZSTJTXNVTRIT-JSGCOSHPSA-N -1 1 333.432 2.238 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2ccc(Cl)cc21 ZINC001579375359 1344376931 /nfs/dbraw/zinc/37/69/31/1344376931.db2.gz XHEXGUHMGIHAJO-UHFFFAOYSA-N -1 1 344.762 2.210 20 0 EEADMM COC(=O)c1ccc(N2Cc3ccccc3[C@H]2C)c(-c2nnn[n-]2)n1 ZINC001579482262 1344388346 /nfs/dbraw/zinc/38/83/46/1344388346.db2.gz AJEFTYVSYSDSRY-SNVBAGLBSA-N -1 1 336.355 2.130 20 0 EEADMM COC(=O)c1ccc(N2Cc3ccccc3[C@H]2C)c(-c2nn[n-]n2)n1 ZINC001579482262 1344388347 /nfs/dbraw/zinc/38/83/47/1344388347.db2.gz AJEFTYVSYSDSRY-SNVBAGLBSA-N -1 1 336.355 2.130 20 0 EEADMM COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC001580066286 1344462087 /nfs/dbraw/zinc/46/20/87/1344462087.db2.gz RDFHCRKMACDPHX-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC001580066286 1344462091 /nfs/dbraw/zinc/46/20/91/1344462091.db2.gz RDFHCRKMACDPHX-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1ncc(NC(=O)N[C@H]2CCCC(C)(C)C2)cc1-c1nn[n-]n1 ZINC001580136156 1344479410 /nfs/dbraw/zinc/47/94/10/1344479410.db2.gz NPHCYGNBDPIRIJ-JTQLQIEISA-N -1 1 345.407 2.361 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccc(-n3cccn3)cc2C)n1 ZINC001580753486 1344555198 /nfs/dbraw/zinc/55/51/98/1344555198.db2.gz QGBLYHCCTUICFI-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccc(-n3cccn3)cc2C)n1 ZINC001580753486 1344555203 /nfs/dbraw/zinc/55/52/03/1344555203.db2.gz QGBLYHCCTUICFI-UHFFFAOYSA-N -1 1 347.386 2.071 20 0 EEADMM Cc1c(Nc2nccnc2-c2nnn[n-]2)cnn1-c1ccc(C)cc1 ZINC001581137533 1344591642 /nfs/dbraw/zinc/59/16/42/1344591642.db2.gz JPEVCDHNTJFHHW-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1c(Nc2nccnc2-c2nn[n-]n2)cnn1-c1ccc(C)cc1 ZINC001581137533 1344591646 /nfs/dbraw/zinc/59/16/46/1344591646.db2.gz JPEVCDHNTJFHHW-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1cccc(COCC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001581240872 1344604824 /nfs/dbraw/zinc/60/48/24/1344604824.db2.gz PFGVDUZVWKJFIO-UHFFFAOYSA-N -1 1 343.412 2.070 20 0 EEADMM Cc1nc(NCc2ccccc2OC(F)F)cc(-c2nnn[n-]2)n1 ZINC001581525982 1344634184 /nfs/dbraw/zinc/63/41/84/1344634184.db2.gz AQWFMFODYRQASC-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1nc(NCc2ccccc2OC(F)F)cc(-c2nn[n-]n2)n1 ZINC001581525982 1344634188 /nfs/dbraw/zinc/63/41/88/1344634188.db2.gz AQWFMFODYRQASC-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1-c1nnn[n-]1 ZINC001581683586 1344653479 /nfs/dbraw/zinc/65/34/79/1344653479.db2.gz DWBZAJFRKPPMQJ-SNVBAGLBSA-N -1 1 330.348 2.049 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1-c1nn[n-]n1 ZINC001581683586 1344653484 /nfs/dbraw/zinc/65/34/84/1344653484.db2.gz DWBZAJFRKPPMQJ-SNVBAGLBSA-N -1 1 330.348 2.049 20 0 EEADMM Cc1nsc(NCC[C@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC001581715637 1344657819 /nfs/dbraw/zinc/65/78/19/1344657819.db2.gz QWOMFBBVAYPFAQ-VIFPVBQESA-N -1 1 349.464 2.129 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(F)c1 ZINC001582559048 1344763307 /nfs/dbraw/zinc/76/33/07/1344763307.db2.gz NHBFEGJPHAITPD-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(F)c1 ZINC001582559048 1344763312 /nfs/dbraw/zinc/76/33/12/1344763312.db2.gz NHBFEGJPHAITPD-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccsc1-c1nnn[n-]1 ZINC001582584011 1344766221 /nfs/dbraw/zinc/76/62/21/1344766221.db2.gz WCQREVNWDACRLN-NWDGAFQWSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccsc1-c1nn[n-]n1 ZINC001582584011 1344766226 /nfs/dbraw/zinc/76/62/26/1344766226.db2.gz WCQREVNWDACRLN-NWDGAFQWSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001582629643 1344770498 /nfs/dbraw/zinc/77/04/98/1344770498.db2.gz ZDRFHTOBMAFHLW-GARJFASQSA-N -1 1 327.392 2.232 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001588770027 1348932980 /nfs/dbraw/zinc/93/29/80/1348932980.db2.gz DIVLDOYFFXUAKV-YRNVUSSQSA-N -1 1 340.412 2.351 20 0 EEADMM CC(=Cc1ccc(C)cc1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001588770027 1348932982 /nfs/dbraw/zinc/93/29/82/1348932982.db2.gz DIVLDOYFFXUAKV-YRNVUSSQSA-N -1 1 340.412 2.351 20 0 EEADMM CC(C)(CCNS(=O)(=O)c1ccsc1-c1nn[n-]n1)C1CC1 ZINC001589275812 1348977415 /nfs/dbraw/zinc/97/74/15/1348977415.db2.gz JUEWFNDMFPZYAL-UHFFFAOYSA-N -1 1 341.462 2.033 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CC(F)F ZINC001589283471 1348979054 /nfs/dbraw/zinc/97/90/54/1348979054.db2.gz UHZWATRUZGMHJS-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)(CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CC(F)F ZINC001589283471 1348979057 /nfs/dbraw/zinc/97/90/57/1348979057.db2.gz UHZWATRUZGMHJS-UHFFFAOYSA-N -1 1 325.323 2.065 20 0 EEADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589550772 1349004317 /nfs/dbraw/zinc/00/43/17/1349004317.db2.gz PJKMXCZDLJUCJE-NSHDSACASA-N -1 1 340.391 2.318 20 0 EEADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589550772 1349004319 /nfs/dbraw/zinc/00/43/19/1349004319.db2.gz PJKMXCZDLJUCJE-NSHDSACASA-N -1 1 340.391 2.318 20 0 EEADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@H](O)c1ccccc1 ZINC001589980073 1349090863 /nfs/dbraw/zinc/09/08/63/1349090863.db2.gz HGTYMMGENVSZMX-BMIGLBTASA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@H](O)c1ccccc1 ZINC001589980073 1349090874 /nfs/dbraw/zinc/09/08/74/1349090874.db2.gz HGTYMMGENVSZMX-BMIGLBTASA-N -1 1 337.387 2.068 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H]1OCCc2sccc21 ZINC001589983643 1349092902 /nfs/dbraw/zinc/09/29/02/1349092902.db2.gz GORJVKPBHZWHMW-OTYXRUKQSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H]1OCCc2sccc21 ZINC001589983643 1349092908 /nfs/dbraw/zinc/09/29/08/1349092908.db2.gz GORJVKPBHZWHMW-OTYXRUKQSA-N -1 1 328.401 2.438 20 0 EEADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ncc(-c2ccccc2)o1 ZINC001589992685 1349096956 /nfs/dbraw/zinc/09/69/56/1349096956.db2.gz ZGTJBTNHSQIRNE-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ncc(-c2ccccc2)o1 ZINC001589992685 1349096961 /nfs/dbraw/zinc/09/69/61/1349096961.db2.gz ZGTJBTNHSQIRNE-JTQLQIEISA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)N1CCCCCC1 ZINC001590033049 1349118997 /nfs/dbraw/zinc/11/89/97/1349118997.db2.gz ILUIWWBBLNAPRX-NSHDSACASA-N -1 1 335.433 2.484 20 0 EEADMM C[C@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)N1CCCCCC1 ZINC001590033049 1349119003 /nfs/dbraw/zinc/11/90/03/1349119003.db2.gz ILUIWWBBLNAPRX-NSHDSACASA-N -1 1 335.433 2.484 20 0 EEADMM C[C@@H](c1ccccc1)n1cc(Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001590051207 1349131134 /nfs/dbraw/zinc/13/11/34/1349131134.db2.gz SAELBWVMRFUZRL-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1cc(Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001590051207 1349131141 /nfs/dbraw/zinc/13/11/41/1349131141.db2.gz SAELBWVMRFUZRL-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM CC1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)CC(F)(F)C1 ZINC001590069264 1349136899 /nfs/dbraw/zinc/13/68/99/1349136899.db2.gz WYXICUMIEWHVAM-UHFFFAOYSA-N -1 1 343.284 2.197 20 0 EEADMM CC1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)CC(F)(F)C1 ZINC001590069264 1349136903 /nfs/dbraw/zinc/13/69/03/1349136903.db2.gz WYXICUMIEWHVAM-UHFFFAOYSA-N -1 1 343.284 2.197 20 0 EEADMM C[C@H]1CCC[C@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)C1 ZINC001590245439 1349223551 /nfs/dbraw/zinc/22/35/51/1349223551.db2.gz XXLHATMCIIIWED-RYUDHWBXSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@@H]1COC2(CCC2)CN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001590327153 1349266509 /nfs/dbraw/zinc/26/65/09/1349266509.db2.gz ZRLWOIGTZFIPCP-SSDOTTSWSA-N -1 1 326.813 2.124 20 0 EEADMM C[C@@H]1COC2(CCC2)CN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001590327153 1349266515 /nfs/dbraw/zinc/26/65/15/1349266515.db2.gz ZRLWOIGTZFIPCP-SSDOTTSWSA-N -1 1 326.813 2.124 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001590355644 1349281559 /nfs/dbraw/zinc/28/15/59/1349281559.db2.gz TYEOQVUYAGUCON-OTDNITJGSA-N -1 1 347.448 2.211 20 0 EEADMM C/C=C\C[C@@H]1CCCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001590355644 1349281566 /nfs/dbraw/zinc/28/15/66/1349281566.db2.gz TYEOQVUYAGUCON-OTDNITJGSA-N -1 1 347.448 2.211 20 0 EEADMM CC/C(C)=C\C(=O)NC[C@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590393589 1349301141 /nfs/dbraw/zinc/30/11/41/1349301141.db2.gz PCOYBWCADQLKSB-MBACFSSFSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](CC(F)(F)F)C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001590422183 1349317340 /nfs/dbraw/zinc/31/73/40/1349317340.db2.gz PSKAOQHXYONAPR-QMMMGPOBSA-N -1 1 329.282 2.284 20 0 EEADMM CC[C@@H](CC(F)(F)F)C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001590422183 1349317346 /nfs/dbraw/zinc/31/73/46/1349317346.db2.gz PSKAOQHXYONAPR-QMMMGPOBSA-N -1 1 329.282 2.284 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)[C@@H](O)c1ccccc1F ZINC001590474366 1349348400 /nfs/dbraw/zinc/34/84/00/1349348400.db2.gz FXSVPFRXEGBVSD-JSGCOSHPSA-N -1 1 343.366 2.028 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1F ZINC001590474366 1349348402 /nfs/dbraw/zinc/34/84/02/1349348402.db2.gz FXSVPFRXEGBVSD-JSGCOSHPSA-N -1 1 343.366 2.028 20 0 EEADMM CCC1(CNc2ccc(C(=O)OC)nc2-c2nnn[n-]2)CCCC1 ZINC001590496253 1349355550 /nfs/dbraw/zinc/35/55/50/1349355550.db2.gz OYVDQOXWDOCJBD-UHFFFAOYSA-N -1 1 330.392 2.431 20 0 EEADMM CCC1(CNc2ccc(C(=O)OC)nc2-c2nn[n-]n2)CCCC1 ZINC001590496253 1349355553 /nfs/dbraw/zinc/35/55/53/1349355553.db2.gz OYVDQOXWDOCJBD-UHFFFAOYSA-N -1 1 330.392 2.431 20 0 EEADMM CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590678979 1349387043 /nfs/dbraw/zinc/38/70/43/1349387043.db2.gz LVVGVPRDJNCFBL-UHFFFAOYSA-N -1 1 341.462 2.127 20 0 EEADMM CCN(C1CC(C)(C)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590678979 1349387047 /nfs/dbraw/zinc/38/70/47/1349387047.db2.gz LVVGVPRDJNCFBL-UHFFFAOYSA-N -1 1 341.462 2.127 20 0 EEADMM CCOC(=O)Cc1cccc(Nc2snc(C)c2-c2nn[n-]n2)c1 ZINC001590766070 1349397959 /nfs/dbraw/zinc/39/79/59/1349397959.db2.gz FUNOALPENBGEAO-UHFFFAOYSA-N -1 1 344.400 2.481 20 0 EEADMM CCc1nc(NCCCOCc2ccccc2)cc(-c2nnn[n-]2)n1 ZINC001590918773 1349412830 /nfs/dbraw/zinc/41/28/30/1349412830.db2.gz HXYLJPZBMKZGCM-UHFFFAOYSA-N -1 1 339.403 2.238 20 0 EEADMM CCc1nc(NCCCOCc2ccccc2)cc(-c2nn[n-]n2)n1 ZINC001590918773 1349412838 /nfs/dbraw/zinc/41/28/38/1349412838.db2.gz HXYLJPZBMKZGCM-UHFFFAOYSA-N -1 1 339.403 2.238 20 0 EEADMM CCn1c(NC(=O)c2coc(-c3nnn[n-]3)c2)nc2ccc(F)cc21 ZINC001590948475 1349421516 /nfs/dbraw/zinc/42/15/16/1349421516.db2.gz ZQUIPWQSLYJOCQ-UHFFFAOYSA-N -1 1 341.306 2.221 20 0 EEADMM CCn1c(NC(=O)c2coc(-c3nn[n-]n3)c2)nc2ccc(F)cc21 ZINC001590948475 1349421518 /nfs/dbraw/zinc/42/15/18/1349421518.db2.gz ZQUIPWQSLYJOCQ-UHFFFAOYSA-N -1 1 341.306 2.221 20 0 EEADMM COc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cc1 ZINC001591606668 1349513854 /nfs/dbraw/zinc/51/38/54/1349513854.db2.gz UTIBYDNVKDTYAH-UHFFFAOYSA-N -1 1 344.762 2.200 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)o2)cc1C ZINC001591622449 1349519367 /nfs/dbraw/zinc/51/93/67/1349519367.db2.gz PBKCVYVDAFRFCK-JTQLQIEISA-N -1 1 327.344 2.268 20 0 EEADMM COc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001591622449 1349519373 /nfs/dbraw/zinc/51/93/73/1349519373.db2.gz PBKCVYVDAFRFCK-JTQLQIEISA-N -1 1 327.344 2.268 20 0 EEADMM COc1cccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)c1F ZINC001591645660 1349522091 /nfs/dbraw/zinc/52/20/91/1349522091.db2.gz NBCIBHXIJJUTNF-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM COc1cccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)c1F ZINC001591645660 1349522100 /nfs/dbraw/zinc/52/21/00/1349522100.db2.gz NBCIBHXIJJUTNF-UHFFFAOYSA-N -1 1 331.282 2.406 20 0 EEADMM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)o2)nn1C(C)(C)C ZINC001591937969 1349562083 /nfs/dbraw/zinc/56/20/83/1349562083.db2.gz ZSKQSVMMFROKQE-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)o2)nn1C(C)(C)C ZINC001591937969 1349562100 /nfs/dbraw/zinc/56/21/00/1349562100.db2.gz ZSKQSVMMFROKQE-UHFFFAOYSA-N -1 1 330.348 2.077 20 0 EEADMM Cc1cncc(C=CC(=O)Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1 ZINC001592299255 1349617503 /nfs/dbraw/zinc/61/75/03/1349617503.db2.gz SATIKEXVODCGAF-IHWYPQMZSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1cncc(C=CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001592299255 1349617512 /nfs/dbraw/zinc/61/75/12/1349617512.db2.gz SATIKEXVODCGAF-IHWYPQMZSA-N -1 1 347.791 2.332 20 0 EEADMM Cc1cnc(N2CCN(c3ccsc3-c3nn[n-]n3)CC2)s1 ZINC001592295562 1349617778 /nfs/dbraw/zinc/61/77/78/1349617778.db2.gz IXIRDNJMDYEXJU-UHFFFAOYSA-N -1 1 333.446 2.020 20 0 EEADMM Cc1csc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592313855 1349619725 /nfs/dbraw/zinc/61/97/25/1349619725.db2.gz XJYNNZVXFPSFCB-MRVPVSSYSA-N -1 1 349.445 2.254 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)s2)c1-c1nnn[n-]1 ZINC001592434245 1349632064 /nfs/dbraw/zinc/63/20/64/1349632064.db2.gz SADJIRZKTZFRHO-XQRVVYSFSA-N -1 1 349.807 2.275 20 0 EEADMM Cc1nn(C)c(NC(=O)C=Cc2ccc(Cl)s2)c1-c1nn[n-]n1 ZINC001592434245 1349632066 /nfs/dbraw/zinc/63/20/66/1349632066.db2.gz SADJIRZKTZFRHO-XQRVVYSFSA-N -1 1 349.807 2.275 20 0 EEADMM Cc1nn(CC[C@@H]2CCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1C ZINC001592437666 1349632080 /nfs/dbraw/zinc/63/20/80/1349632080.db2.gz XSYSBICXRAFRKW-AWEZNQCLSA-N -1 1 336.399 2.160 20 0 EEADMM Cc1noc(C)c1[C@H](C)C(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001592468120 1349634522 /nfs/dbraw/zinc/63/45/22/1349634522.db2.gz BSNBOONXEKUEPK-LURJTMIESA-N -1 1 347.404 2.003 20 0 EEADMM Cc1noc(C)c1[C@H](C)C(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC001592468120 1349634523 /nfs/dbraw/zinc/63/45/23/1349634523.db2.gz BSNBOONXEKUEPK-LURJTMIESA-N -1 1 347.404 2.003 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](CF)COc1ccccc1 ZINC001592502249 1349638188 /nfs/dbraw/zinc/63/81/88/1349638188.db2.gz QVZAQRRFLPDFQV-LBPRGKRZSA-N -1 1 346.318 2.342 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](CF)COc1ccccc1 ZINC001592502249 1349638190 /nfs/dbraw/zinc/63/81/90/1349638190.db2.gz QVZAQRRFLPDFQV-LBPRGKRZSA-N -1 1 346.318 2.342 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC001592503235 1349640216 /nfs/dbraw/zinc/64/02/16/1349640216.db2.gz SIGOFYWZUIMTPV-LBPRGKRZSA-N -1 1 345.403 2.380 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC001592503235 1349640218 /nfs/dbraw/zinc/64/02/18/1349640218.db2.gz SIGOFYWZUIMTPV-LBPRGKRZSA-N -1 1 345.403 2.380 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC2CCCC2)c1-c1nnn[n-]1 ZINC001592515398 1349644557 /nfs/dbraw/zinc/64/45/57/1349644557.db2.gz FCPUOFZTNZPQEB-CYBMUJFWSA-N -1 1 344.419 2.277 20 0 EEADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC2CCCC2)c1-c1nn[n-]n1 ZINC001592515398 1349644558 /nfs/dbraw/zinc/64/45/58/1349644558.db2.gz FCPUOFZTNZPQEB-CYBMUJFWSA-N -1 1 344.419 2.277 20 0 EEADMM Clc1cc(CSCCNc2ncncc2-c2nn[n-]n2)ccn1 ZINC001592526447 1349648024 /nfs/dbraw/zinc/64/80/24/1349648024.db2.gz ZUDKMZNWXJGOCN-UHFFFAOYSA-N -1 1 348.823 2.050 20 0 EEADMM Clc1ccc2c(CCNc3cnc(-c4nnn[n-]4)cn3)c[nH]c2c1 ZINC001592532658 1349649660 /nfs/dbraw/zinc/64/96/60/1349649660.db2.gz BCPMDCNIAQKDHM-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2c(CCNc3cnc(-c4nn[n-]n4)cn3)c[nH]c2c1 ZINC001592532658 1349649668 /nfs/dbraw/zinc/64/96/68/1349649668.db2.gz BCPMDCNIAQKDHM-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Cn1c(NC(=O)c2ccc(-c3nn[n-]n3)o2)nc2cc(Cl)ccc21 ZINC001592555688 1349657824 /nfs/dbraw/zinc/65/78/24/1349657824.db2.gz PFXJNFSULXVHIJ-UHFFFAOYSA-N -1 1 343.734 2.252 20 0 EEADMM Cn1ccc2cccc(NC(=O)Nc3ccnc(-c4nnn[n-]4)c3)c21 ZINC001592581627 1349662320 /nfs/dbraw/zinc/66/23/20/1349662320.db2.gz KEFMFJLLOUZCDO-UHFFFAOYSA-N -1 1 334.343 2.397 20 0 EEADMM Cn1ccc2cccc(NC(=O)Nc3ccnc(-c4nn[n-]n4)c3)c21 ZINC001592581627 1349662321 /nfs/dbraw/zinc/66/23/21/1349662321.db2.gz KEFMFJLLOUZCDO-UHFFFAOYSA-N -1 1 334.343 2.397 20 0 EEADMM Cn1nc(CSc2cccnc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001592594802 1349665822 /nfs/dbraw/zinc/66/58/22/1349665822.db2.gz FCJFZYLTIZLIBL-UHFFFAOYSA-N -1 1 341.322 2.306 20 0 EEADMM Cn1nc(CSc2cccnc2-c2nn[n-]n2)cc1C(F)(F)F ZINC001592594802 1349665825 /nfs/dbraw/zinc/66/58/25/1349665825.db2.gz FCJFZYLTIZLIBL-UHFFFAOYSA-N -1 1 341.322 2.306 20 0 EEADMM FC(F)(F)[C@H](CNc1ncncc1-c1nn[n-]n1)c1ccccc1 ZINC001592613251 1349669519 /nfs/dbraw/zinc/66/95/19/1349669519.db2.gz CZJQKJMGJFULRU-LLVKDONJSA-N -1 1 335.293 2.415 20 0 EEADMM Fc1cc(F)cc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC001592642197 1349689210 /nfs/dbraw/zinc/68/92/10/1349689210.db2.gz KPPAIPFLWPHASR-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1cc(F)cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC001592642197 1349689214 /nfs/dbraw/zinc/68/92/14/1349689214.db2.gz KPPAIPFLWPHASR-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1F ZINC001592647077 1349693223 /nfs/dbraw/zinc/69/32/23/1349693223.db2.gz IYUTZUDFHLWMAQ-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1ccc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1F ZINC001592647077 1349693228 /nfs/dbraw/zinc/69/32/28/1349693228.db2.gz IYUTZUDFHLWMAQ-NSHDSACASA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(CC2(Nc3cc(-c4nnn[n-]4)ncn3)CCC2)c1 ZINC001592654424 1349698634 /nfs/dbraw/zinc/69/86/34/1349698634.db2.gz JVIUKMFAAGJPDB-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(CC2(Nc3cc(-c4nn[n-]n4)ncn3)CCC2)c1 ZINC001592654424 1349698640 /nfs/dbraw/zinc/69/86/40/1349698640.db2.gz JVIUKMFAAGJPDB-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001592752915 1349712285 /nfs/dbraw/zinc/71/22/85/1349712285.db2.gz GAMPUUVOCKROMM-CHWSQXEVSA-N -1 1 337.387 2.260 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001592829424 1349717609 /nfs/dbraw/zinc/71/76/09/1349717609.db2.gz ZVJJYDZATTZTSQ-SECBINFHSA-N -1 1 342.186 2.279 20 0 EEADMM O=C(CC[C@@H]1CC1(Cl)Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001592829424 1349717611 /nfs/dbraw/zinc/71/76/11/1349717611.db2.gz ZVJJYDZATTZTSQ-SECBINFHSA-N -1 1 342.186 2.279 20 0 EEADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc(-c2nnn[n-]2)n1 ZINC001592950145 1349729633 /nfs/dbraw/zinc/72/96/33/1349729633.db2.gz UCYDFQDGEDXEPH-NSHDSACASA-N -1 1 340.309 2.113 20 0 EEADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cccc(-c2nn[n-]n2)n1 ZINC001592950145 1349729634 /nfs/dbraw/zinc/72/96/34/1349729634.db2.gz UCYDFQDGEDXEPH-NSHDSACASA-N -1 1 340.309 2.113 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593065964 1349736390 /nfs/dbraw/zinc/73/63/90/1349736390.db2.gz UFEPCVMJPQVWOJ-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(NCCC1Cc2ccccc2C1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593065964 1349736394 /nfs/dbraw/zinc/73/63/94/1349736394.db2.gz UFEPCVMJPQVWOJ-UHFFFAOYSA-N -1 1 349.398 2.188 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccncc2s1 ZINC001593203121 1349746098 /nfs/dbraw/zinc/74/60/98/1349746098.db2.gz YLLHCBOMZGNNCK-UHFFFAOYSA-N -1 1 338.352 2.434 20 0 EEADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593205063 1349746307 /nfs/dbraw/zinc/74/63/07/1349746307.db2.gz CKXOWHCHORIKBG-UHFFFAOYSA-N -1 1 338.375 2.285 20 0 EEADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593205063 1349746311 /nfs/dbraw/zinc/74/63/11/1349746311.db2.gz CKXOWHCHORIKBG-UHFFFAOYSA-N -1 1 338.375 2.285 20 0 EEADMM O=C([O-])[C@@H](CCc1ccccc1)[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593279799 1349759916 /nfs/dbraw/zinc/75/99/16/1349759916.db2.gz ZSSJAAUOTLNAQV-CYBMUJFWSA-N -1 1 343.412 2.104 20 0 EEADMM O=C(OCCOc1cccc(F)c1)c1sccc1-c1nn[n-]n1 ZINC001593290582 1349765904 /nfs/dbraw/zinc/76/59/04/1349765904.db2.gz HNZUQEFUSDLVGE-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCN1c1ccccc1 ZINC001593297556 1349772206 /nfs/dbraw/zinc/77/22/06/1349772206.db2.gz LCVSLCQUCDAJQV-AWEZNQCLSA-N -1 1 339.355 2.172 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1CCCN1c1ccccc1 ZINC001593297556 1349772209 /nfs/dbraw/zinc/77/22/09/1349772209.db2.gz LCVSLCQUCDAJQV-AWEZNQCLSA-N -1 1 339.355 2.172 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(OC2CCCC2)CC1 ZINC001593371195 1349792794 /nfs/dbraw/zinc/79/27/94/1349792794.db2.gz NIIBSKZBAJZJHO-UHFFFAOYSA-N -1 1 347.444 2.492 20 0 EEADMM O=S(=O)(NC1CC=CC1)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001593435876 1349799599 /nfs/dbraw/zinc/79/95/99/1349799599.db2.gz ZBNONXKQGKMMJM-UHFFFAOYSA-N -1 1 347.425 2.078 20 0 EEADMM O=S(=O)(Oc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)o1 ZINC001593450251 1349801375 /nfs/dbraw/zinc/80/13/75/1349801375.db2.gz SKHUBLXEQAOBBT-UHFFFAOYSA-N -1 1 344.711 2.020 20 0 EEADMM c1cc(CNc2ccc(N3CCCCC3)cn2)nc(-c2nn[n-]n2)c1 ZINC001593554287 1349846316 /nfs/dbraw/zinc/84/63/16/1349846316.db2.gz OBTMDTCXILTUBG-UHFFFAOYSA-N -1 1 336.403 2.259 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001593572302 1349856703 /nfs/dbraw/zinc/85/67/03/1349856703.db2.gz XVADSMAYKXDELT-LBPRGKRZSA-N -1 1 334.343 2.041 20 0 EEADMM c1coc([C@H](Cc2ccccc2)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001593572302 1349856708 /nfs/dbraw/zinc/85/67/08/1349856708.db2.gz XVADSMAYKXDELT-LBPRGKRZSA-N -1 1 334.343 2.041 20 0 EEADMM O=C([O-])c1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)[nH]n1 ZINC001594806278 1349877835 /nfs/dbraw/zinc/87/78/35/1349877835.db2.gz DELFAACXODBGQW-CYBMUJFWSA-N -1 1 341.327 2.088 20 0 EEADMM Cc1cc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)on1 ZINC001600205780 1349992983 /nfs/dbraw/zinc/99/29/83/1349992983.db2.gz ILSLXSBQFSEFTR-GOSISDBHSA-N -1 1 329.400 2.192 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1C(=O)[O-] ZINC001600227563 1349996924 /nfs/dbraw/zinc/99/69/24/1349996924.db2.gz MZKTWICTQOIGOF-UHFFFAOYSA-N -1 1 339.348 2.234 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1C[C@]2(C)COC[C@]2(C)C1 ZINC001600353015 1350027155 /nfs/dbraw/zinc/02/71/55/1350027155.db2.gz QXBOMKWOFSMBOF-FASAQXTFSA-N -1 1 346.427 2.379 20 0 EEADMM Cc1cccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1C(=O)[O-] ZINC001600550616 1350079910 /nfs/dbraw/zinc/07/99/10/1350079910.db2.gz HWFVOQFDSVHCBP-UHFFFAOYSA-N -1 1 347.352 2.076 20 0 EEADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC001600655141 1350109231 /nfs/dbraw/zinc/10/92/31/1350109231.db2.gz RSGQTISWKHBSOZ-UHFFFAOYSA-N -1 1 331.346 2.400 20 0 EEADMM Cc1nn(CCC(=O)[O-])c(C)c1CN[C@@H](c1ccccc1)[C@@H](C)O ZINC001600785563 1350136980 /nfs/dbraw/zinc/13/69/80/1350136980.db2.gz FDRSBIFQNMBJQF-RDTXWAMCSA-N -1 1 331.416 2.186 20 0 EEADMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001601407576 1350277353 /nfs/dbraw/zinc/27/73/53/1350277353.db2.gz JPFLAUFKHLVDGB-SSDOTTSWSA-N -1 1 327.205 2.249 20 0 EEADMM O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001601693451 1350339862 /nfs/dbraw/zinc/33/98/62/1350339862.db2.gz IYLBORHFZCULOW-ZDUSSCGKSA-N -1 1 344.333 2.203 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC001601904982 1350394323 /nfs/dbraw/zinc/39/43/23/1350394323.db2.gz IYLFTABJKLMPAB-OAHLLOKOSA-N -1 1 327.315 2.419 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@@H]1c1ccccc1 ZINC001602185706 1350460072 /nfs/dbraw/zinc/46/00/72/1350460072.db2.gz CHWHVKWNWKMJOR-IAGOWNOFSA-N -1 1 335.363 2.275 20 0 EEADMM O=C([O-])c1cc2[nH]c(NC(=O)[C@@H]3C[C@H]3F)nc2c(Br)c1 ZINC001602238993 1350473590 /nfs/dbraw/zinc/47/35/90/1350473590.db2.gz QXRBOKOTZIGSNC-IYSWYEEDSA-N -1 1 342.124 2.320 20 0 EEADMM O=C([O-])c1cc(C2CCN(C[C@@H](O)c3ccccc3F)CC2)no1 ZINC001602252510 1350477364 /nfs/dbraw/zinc/47/73/64/1350477364.db2.gz HXNNEDAMJUPDMH-OAHLLOKOSA-N -1 1 334.347 2.425 20 0 EEADMM O=C([O-])c1cc(F)cc(C(=O)Nc2ccn(-c3ccncc3)n2)c1 ZINC001602270728 1350482594 /nfs/dbraw/zinc/48/25/94/1350482594.db2.gz KNGBOOFUJWWIQU-UHFFFAOYSA-N -1 1 326.287 2.357 20 0 EEADMM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1cccc2[nH]c(=O)oc21 ZINC001602308614 1350489979 /nfs/dbraw/zinc/48/99/79/1350489979.db2.gz MNIVUMJNEKDHNE-SNVBAGLBSA-N -1 1 328.328 2.053 20 0 EEADMM O=C([O-])c1cccc2nc(NCc3cnn(-c4ccccc4)n3)[nH]c21 ZINC001602454317 1350522846 /nfs/dbraw/zinc/52/28/46/1350522846.db2.gz NNVLRSPYXKAGLP-UHFFFAOYSA-N -1 1 334.339 2.454 20 0 EEADMM O=C([O-])c1cn(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nn1 ZINC001602505702 1350533752 /nfs/dbraw/zinc/53/37/52/1350533752.db2.gz VHQQVJDECGPBCM-NSHDSACASA-N -1 1 340.305 2.442 20 0 EEADMM O=C([O-])c1cnoc1CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC001602547535 1350543516 /nfs/dbraw/zinc/54/35/16/1350543516.db2.gz MRKTWBAVMJPEOE-CQSZACIVSA-N -1 1 344.367 2.224 20 0 EEADMM O=C([O-])c1nscc1NS(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001602587197 1350552236 /nfs/dbraw/zinc/55/22/36/1350552236.db2.gz WQNYHAVAIGBTBN-KOLCDFICSA-N -1 1 342.373 2.278 20 0 EEADMM O=C([O-])c1nscc1S(=O)(=O)Nc1cc(F)cc(F)c1F ZINC001602588477 1350552245 /nfs/dbraw/zinc/55/22/45/1350552245.db2.gz WQZCTZOVWIZVLG-UHFFFAOYSA-N -1 1 338.288 2.059 20 0 EEADMM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCCO1 ZINC001603043820 1350626620 /nfs/dbraw/zinc/62/66/20/1350626620.db2.gz DMLZJOAQXLOJNJ-GFCCVEGCSA-N -1 1 335.433 2.140 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)CC(F)(F)F ZINC001603144324 1350648928 /nfs/dbraw/zinc/64/89/28/1350648928.db2.gz ZFCYVFBSXUOZMX-UHFFFAOYSA-N -1 1 343.313 2.362 20 0 EEADMM CC(C)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)CC(F)(F)F ZINC001603144324 1350648937 /nfs/dbraw/zinc/64/89/37/1350648937.db2.gz ZFCYVFBSXUOZMX-UHFFFAOYSA-N -1 1 343.313 2.362 20 0 EEADMM CC(C)[C@@H]1C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603240234 1350669221 /nfs/dbraw/zinc/66/92/21/1350669221.db2.gz ANNGVTLVAPNZOT-JQWIXIFHSA-N -1 1 336.417 2.423 20 0 EEADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc([C@@H]3CCCN3)n2)C1 ZINC001603253743 1350673288 /nfs/dbraw/zinc/67/32/88/1350673288.db2.gz SWWJYEDCNHECMX-RYUDHWBXSA-N -1 1 335.404 2.062 20 0 EEADMM C[C@@H](CCc1cccn1C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001603499740 1350713249 /nfs/dbraw/zinc/71/32/49/1350713249.db2.gz VOXRBKAXQHPZSH-NSHDSACASA-N -1 1 342.378 2.095 20 0 EEADMM C[C@@H](CCc1cccn1C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001603499740 1350713252 /nfs/dbraw/zinc/71/32/52/1350713252.db2.gz VOXRBKAXQHPZSH-NSHDSACASA-N -1 1 342.378 2.095 20 0 EEADMM CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(CC(=O)[O-])CC2)cc1 ZINC001603538297 1350717464 /nfs/dbraw/zinc/71/74/64/1350717464.db2.gz HNYJMJVZGINJOD-RMKNXTFCSA-N -1 1 330.428 2.226 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@H]1CC2CCC1CC2 ZINC001603617550 1350728751 /nfs/dbraw/zinc/72/87/51/1350728751.db2.gz LTZTXEFJKGFUKP-BNQIPGGESA-N -1 1 340.431 2.135 20 0 EEADMM C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@H]1CC2CCC1CC2 ZINC001603617550 1350728757 /nfs/dbraw/zinc/72/87/57/1350728757.db2.gz LTZTXEFJKGFUKP-BNQIPGGESA-N -1 1 340.431 2.135 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603617553 1350728888 /nfs/dbraw/zinc/72/88/88/1350728888.db2.gz LTZTXEFJKGFUKP-WZKVNAIUSA-N -1 1 340.431 2.135 20 0 EEADMM C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CC2CCC1CC2 ZINC001603617553 1350728891 /nfs/dbraw/zinc/72/88/91/1350728891.db2.gz LTZTXEFJKGFUKP-WZKVNAIUSA-N -1 1 340.431 2.135 20 0 EEADMM C[C@@]1(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@]1(F)Cl ZINC001603800054 1350770405 /nfs/dbraw/zinc/77/04/05/1350770405.db2.gz HAASNVILRGGTRU-NEPJUHHUSA-N -1 1 329.788 2.363 20 0 EEADMM C[C@@]1(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@]1(F)Cl ZINC001603800054 1350770408 /nfs/dbraw/zinc/77/04/08/1350770408.db2.gz HAASNVILRGGTRU-NEPJUHHUSA-N -1 1 329.788 2.363 20 0 EEADMM C[C@@H]1C[C@H](OC(=O)c2sccc2-c2nn[n-]n2)CC(C)(C)C1=O ZINC001603866614 1350786580 /nfs/dbraw/zinc/78/65/80/1350786580.db2.gz BTDRMWCKSLKYJV-BDAKNGLRSA-N -1 1 334.401 2.479 20 0 EEADMM CC(C)N1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001603895651 1350796801 /nfs/dbraw/zinc/79/68/01/1350796801.db2.gz XBTIVQSDZAKTHO-UHFFFAOYSA-N -1 1 330.388 2.424 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)[C@@H]1OC ZINC001604086147 1350851910 /nfs/dbraw/zinc/85/19/10/1350851910.db2.gz PCKCVIKIGCBWLU-UHTWSYAYSA-N -1 1 331.424 2.217 20 0 EEADMM CCC1(CC)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)[C@@H]1OC ZINC001604086147 1350851912 /nfs/dbraw/zinc/85/19/12/1350851912.db2.gz PCKCVIKIGCBWLU-UHTWSYAYSA-N -1 1 331.424 2.217 20 0 EEADMM CCC/C=C\COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001604156819 1350878332 /nfs/dbraw/zinc/87/83/32/1350878332.db2.gz KOPAZTRKFFSJRI-SREVYHEPSA-N -1 1 345.403 2.416 20 0 EEADMM CCCN1C(=O)c2ccccc2N[C@H]1c1nc(-c2nnn[n-]2)cs1 ZINC001604214187 1350893984 /nfs/dbraw/zinc/89/39/84/1350893984.db2.gz AVAZNWSCRILGNS-CYBMUJFWSA-N -1 1 341.400 2.300 20 0 EEADMM CCCN1C(=O)c2ccccc2N[C@H]1c1nc(-c2nn[n-]n2)cs1 ZINC001604214187 1350893987 /nfs/dbraw/zinc/89/39/87/1350893987.db2.gz AVAZNWSCRILGNS-CYBMUJFWSA-N -1 1 341.400 2.300 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604230644 1350899036 /nfs/dbraw/zinc/89/90/36/1350899036.db2.gz ZGRASJPMQUHTPF-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CCCOc1cc(F)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604230644 1350899040 /nfs/dbraw/zinc/89/90/40/1350899040.db2.gz ZGRASJPMQUHTPF-UHFFFAOYSA-N -1 1 342.334 2.442 20 0 EEADMM CCCSc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001604237610 1350900348 /nfs/dbraw/zinc/90/03/48/1350900348.db2.gz QUOYFLYSFKJMOX-UHFFFAOYSA-N -1 1 341.400 2.411 20 0 EEADMM CCCSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001604237610 1350900349 /nfs/dbraw/zinc/90/03/49/1350900349.db2.gz QUOYFLYSFKJMOX-UHFFFAOYSA-N -1 1 341.400 2.411 20 0 EEADMM C[C@](Cn1cccn1)(NCc1nc2ccccc2n1C(F)F)C(=O)[O-] ZINC001604244942 1350901322 /nfs/dbraw/zinc/90/13/22/1350901322.db2.gz RFMBYJYYKBNLFO-MRXNPFEDSA-N -1 1 349.341 2.261 20 0 EEADMM C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604269252 1350906426 /nfs/dbraw/zinc/90/64/26/1350906426.db2.gz MJXVWHSAJAAMIU-JCGIZDLHSA-N -1 1 344.455 2.452 20 0 EEADMM CCc1nc(N[C@@H]2CCOc3c(F)cccc32)cc(-c2nnn[n-]2)n1 ZINC001604569762 1350962275 /nfs/dbraw/zinc/96/22/75/1350962275.db2.gz OEMFSIMBSBAVCA-LLVKDONJSA-N -1 1 341.350 2.294 20 0 EEADMM CCc1nc(N[C@@H]2CCOc3c(F)cccc32)cc(-c2nn[n-]n2)n1 ZINC001604569762 1350962277 /nfs/dbraw/zinc/96/22/77/1350962277.db2.gz OEMFSIMBSBAVCA-LLVKDONJSA-N -1 1 341.350 2.294 20 0 EEADMM CN(C(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc2cccnc21 ZINC001604658062 1350978828 /nfs/dbraw/zinc/97/88/28/1350978828.db2.gz NVGCUEWPVBZQLP-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc2cccnc21 ZINC001604658062 1350978831 /nfs/dbraw/zinc/97/88/31/1350978831.db2.gz NVGCUEWPVBZQLP-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001604691946 1350986005 /nfs/dbraw/zinc/98/60/05/1350986005.db2.gz RXLJBAYQUUIQPL-NQBHXWOUSA-N -1 1 337.445 2.362 20 0 EEADMM CC1CCN(C(=O)C2CCN(Cc3cccc(C(=O)[O-])n3)CC2)CC1 ZINC001604743233 1350995603 /nfs/dbraw/zinc/99/56/03/1350995603.db2.gz KLZXVHSGVBCGQF-UHFFFAOYSA-N -1 1 345.443 2.250 20 0 EEADMM C[C@@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)CCN1CCC(=O)[O-] ZINC001604781084 1351002110 /nfs/dbraw/zinc/00/21/10/1351002110.db2.gz UMQBFYOUJYEPOM-SECBINFHSA-N -1 1 346.214 2.009 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001604792865 1351005490 /nfs/dbraw/zinc/00/54/90/1351005490.db2.gz HRTOJHYTVHCSQR-SNVBAGLBSA-N -1 1 344.333 2.384 20 0 EEADMM CC[C@](C)(C(=O)[O-])N(CC(=O)NCc1ccc(F)cc1)CC1CC1 ZINC001604887090 1351025445 /nfs/dbraw/zinc/02/54/45/1351025445.db2.gz BOFSQZACWCANSC-GOSISDBHSA-N -1 1 336.407 2.407 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001604953664 1351038245 /nfs/dbraw/zinc/03/82/45/1351038245.db2.gz OEFRONMQSXOTCM-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001604953664 1351038247 /nfs/dbraw/zinc/03/82/47/1351038247.db2.gz OEFRONMQSXOTCM-UHFFFAOYSA-N -1 1 344.356 2.359 20 0 EEADMM COC(=O)c1ccc(CNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001604972137 1351042587 /nfs/dbraw/zinc/04/25/87/1351042587.db2.gz NUNVVJOQNKTXQS-UHFFFAOYSA-N -1 1 330.373 2.030 20 0 EEADMM CC[C@@H](N[C@H]1CCCN(CCC(=O)[O-])C1=O)c1ccccc1OC ZINC001605091458 1351076822 /nfs/dbraw/zinc/07/68/22/1351076822.db2.gz LNMHBOUYESBPHT-CABCVRRESA-N -1 1 334.416 2.202 20 0 EEADMM COc1ccc([C@@H](C)Nc2cc(-c3nnn[n-]3)nc(C)n2)cc1F ZINC001605264305 1351119435 /nfs/dbraw/zinc/11/94/35/1351119435.db2.gz ZTRBQRYLVSODGV-MRVPVSSYSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc([C@@H](C)Nc2cc(-c3nn[n-]n3)nc(C)n2)cc1F ZINC001605264305 1351119438 /nfs/dbraw/zinc/11/94/38/1351119438.db2.gz ZTRBQRYLVSODGV-MRVPVSSYSA-N -1 1 329.339 2.286 20 0 EEADMM COc1cccc(C(C)(C)CNc2cc(-c3nnn[n-]3)nc(C)n2)c1 ZINC001605312690 1351133038 /nfs/dbraw/zinc/13/30/38/1351133038.db2.gz IXHHPRBISLFJPW-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1cccc(C(C)(C)CNc2cc(-c3nn[n-]n3)nc(C)n2)c1 ZINC001605312690 1351133040 /nfs/dbraw/zinc/13/30/40/1351133040.db2.gz IXHHPRBISLFJPW-UHFFFAOYSA-N -1 1 339.403 2.363 20 0 EEADMM COc1ncc(NC(=O)c2ccc3cc[nH]c3c2)cc1-c1nn[n-]n1 ZINC001605349128 1351142935 /nfs/dbraw/zinc/14/29/35/1351142935.db2.gz YORDXQKVSKQURG-UHFFFAOYSA-N -1 1 335.327 2.004 20 0 EEADMM CCN(CC)C(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2C)CC1 ZINC001605424304 1351156135 /nfs/dbraw/zinc/15/61/35/1351156135.db2.gz DZLRWBZXSZNKSI-INIZCTEOSA-N -1 1 333.432 2.200 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1nc(C(C)C)cs1 ZINC001605510857 1351174740 /nfs/dbraw/zinc/17/47/40/1351174740.db2.gz LCLPDHRRRNTRJP-UHFFFAOYSA-N -1 1 345.388 2.108 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCc3cc(Cl)ccc3C2)n1 ZINC001605566348 1351191350 /nfs/dbraw/zinc/19/13/50/1351191350.db2.gz YEKNRQSHUNDTCD-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCc3cc(Cl)ccc3C2)n1 ZINC001605566348 1351191352 /nfs/dbraw/zinc/19/13/52/1351191352.db2.gz YEKNRQSHUNDTCD-UHFFFAOYSA-N -1 1 327.779 2.181 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(Nc2ccc(OC(F)F)c(F)c2)n1 ZINC001605584691 1351194665 /nfs/dbraw/zinc/19/46/65/1351194665.db2.gz ZTZYFYSGDLGXLC-UHFFFAOYSA-N -1 1 337.265 2.449 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(Nc2ccc(OC(F)F)c(F)c2)n1 ZINC001605584691 1351194668 /nfs/dbraw/zinc/19/46/68/1351194668.db2.gz ZTZYFYSGDLGXLC-UHFFFAOYSA-N -1 1 337.265 2.449 20 0 EEADMM CCO[C@@H]1C[C@@](NC(=O)c2[nH]nc3c2CCCCC3)(C(=O)[O-])C1(C)C ZINC001605609321 1351200489 /nfs/dbraw/zinc/20/04/89/1351200489.db2.gz WGOGWOKZWIXMMO-FZKQIMNGSA-N -1 1 349.431 2.067 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cc(C)nc(-c4nnn[n-]4)c3)C2)cc1 ZINC001605864577 1351240790 /nfs/dbraw/zinc/24/07/90/1351240790.db2.gz IRUQAZRPSZAJRU-HNNXBMFYSA-N -1 1 349.442 2.381 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3cc(C)nc(-c4nn[n-]n4)c3)C2)cc1 ZINC001605864577 1351240793 /nfs/dbraw/zinc/24/07/93/1351240793.db2.gz IRUQAZRPSZAJRU-HNNXBMFYSA-N -1 1 349.442 2.381 20 0 EEADMM Cc1ccc(NCc2cnn(-c3ccccc3)c2)nc1-c1nnn[n-]1 ZINC001605875553 1351244036 /nfs/dbraw/zinc/24/40/36/1351244036.db2.gz PVEUWQDVRKZKBY-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1ccc(NCc2cnn(-c3ccccc3)c2)nc1-c1nn[n-]n1 ZINC001605875553 1351244038 /nfs/dbraw/zinc/24/40/38/1351244038.db2.gz PVEUWQDVRKZKBY-UHFFFAOYSA-N -1 1 332.371 2.368 20 0 EEADMM Cc1cccc(OCCOC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001605923551 1351255109 /nfs/dbraw/zinc/25/51/09/1351255109.db2.gz PVDILSPUYYEWSH-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC001606082984 1351268408 /nfs/dbraw/zinc/26/84/08/1351268408.db2.gz VFZPAOSOMPGKHO-UHFFFAOYSA-N -1 1 344.415 2.476 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)c2ccsc2)c1-c1nnn[n-]1 ZINC001606139774 1351278267 /nfs/dbraw/zinc/27/82/67/1351278267.db2.gz VCOJLKXMOUFNHU-SSDOTTSWSA-N -1 1 334.430 2.460 20 0 EEADMM Cc1nsc(N(C)C(=O)[C@H](C)c2ccsc2)c1-c1nn[n-]n1 ZINC001606139774 1351278268 /nfs/dbraw/zinc/27/82/68/1351278268.db2.gz VCOJLKXMOUFNHU-SSDOTTSWSA-N -1 1 334.430 2.460 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)c(F)c1 ZINC001606598410 1351329539 /nfs/dbraw/zinc/32/95/39/1351329539.db2.gz OVADNXMXDDLWFY-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)c(F)c1 ZINC001606598410 1351329543 /nfs/dbraw/zinc/32/95/43/1351329543.db2.gz OVADNXMXDDLWFY-UHFFFAOYSA-N -1 1 333.710 2.202 20 0 EEADMM O=C(Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)C1CCCCC1 ZINC001606617450 1351332664 /nfs/dbraw/zinc/33/26/64/1351332664.db2.gz MVKMJWAHOLTCAL-UHFFFAOYSA-N -1 1 343.412 2.393 20 0 EEADMM O=C(NCCCc1cccc(F)c1)c1csc(-c2nn[n-]n2)c1 ZINC001606776387 1351355534 /nfs/dbraw/zinc/35/55/34/1351355534.db2.gz JCQYAUOBWLRCJB-UHFFFAOYSA-N -1 1 331.376 2.430 20 0 EEADMM COC[C@@]1(CO)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001606841163 1351365024 /nfs/dbraw/zinc/36/50/24/1351365024.db2.gz SUBAWVYNPXYSPQ-ZFWWWQNUSA-N -1 1 348.226 2.450 20 0 EEADMM O=C(N[C@H]1CCCc2cccnc21)c1ccsc1-c1nnn[n-]1 ZINC001606879421 1351369473 /nfs/dbraw/zinc/36/94/73/1351369473.db2.gz CNDJCBRMGSXBET-NSHDSACASA-N -1 1 326.385 2.131 20 0 EEADMM O=C(N[C@H]1CCCc2cccnc21)c1ccsc1-c1nn[n-]n1 ZINC001606879421 1351369477 /nfs/dbraw/zinc/36/94/77/1351369477.db2.gz CNDJCBRMGSXBET-NSHDSACASA-N -1 1 326.385 2.131 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N[C@@H]1CCCC1(F)F ZINC001606950429 1351382820 /nfs/dbraw/zinc/38/28/20/1351382820.db2.gz VXCSHYWPYHOBIT-SCSAIBSYSA-N -1 1 349.754 2.286 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@@]12CCO[C@@H]1CCCC2 ZINC001606978974 1351390845 /nfs/dbraw/zinc/39/08/45/1351390845.db2.gz KSDFJVJUWQVSTO-DOMZBBRYSA-N -1 1 334.401 2.321 20 0 EEADMM CO[C@]12CCC[C@@]1(C(=O)Nc1nc3cccc(C(=O)[O-])c3[nH]1)CCO2 ZINC001607004617 1351395963 /nfs/dbraw/zinc/39/59/63/1351395963.db2.gz KYJPVJVROPBSQX-IRXDYDNUSA-N -1 1 345.355 2.133 20 0 EEADMM O=C1Cc2cc(Nc3nc(Cl)c(-c4nnn[n-]4)s3)ccc2N1 ZINC001607049131 1351403930 /nfs/dbraw/zinc/40/39/30/1351403930.db2.gz BAAJZVMPJNVLQF-UHFFFAOYSA-N -1 1 333.764 2.215 20 0 EEADMM O=C1Cc2cc(Nc3nc(Cl)c(-c4nn[n-]n4)s3)ccc2N1 ZINC001607049131 1351403931 /nfs/dbraw/zinc/40/39/31/1351403931.db2.gz BAAJZVMPJNVLQF-UHFFFAOYSA-N -1 1 333.764 2.215 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001607090267 1351413687 /nfs/dbraw/zinc/41/36/87/1351413687.db2.gz OBZXAHWSJPYXFZ-KWBADKCTSA-N -1 1 343.412 2.201 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1CCn1ccc2cc(Cl)ccc21 ZINC001607091943 1351414765 /nfs/dbraw/zinc/41/47/65/1351414765.db2.gz NQRAWKAYBCQHGP-UHFFFAOYSA-N -1 1 340.774 2.337 20 0 EEADMM c1c(N[C@H](C2CC2)[C@H]2CCCCO2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114450 1351424227 /nfs/dbraw/zinc/42/42/27/1351424227.db2.gz KJGWQICIYYHJPT-UKRRQHHQSA-N -1 1 341.419 2.294 20 0 EEADMM c1c(N[C@H](C2CC2)[C@H]2CCCCO2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114450 1351424229 /nfs/dbraw/zinc/42/42/29/1351424229.db2.gz KJGWQICIYYHJPT-UKRRQHHQSA-N -1 1 341.419 2.294 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001607124403 1351428707 /nfs/dbraw/zinc/42/87/07/1351428707.db2.gz JGBMASXWZZUXPS-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM c1c2c(oc1-c1ccccc1)CN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001607124403 1351428710 /nfs/dbraw/zinc/42/87/10/1351428710.db2.gz JGBMASXWZZUXPS-UHFFFAOYSA-N -1 1 345.366 2.479 20 0 EEADMM COc1ccc([C@H](NCc2cnc3ccc(C)cn23)C(=O)[O-])cc1O ZINC001607233942 1351455564 /nfs/dbraw/zinc/45/55/64/1351455564.db2.gz FEIQIQVJZGESIZ-KRWDZBQOSA-N -1 1 341.367 2.272 20 0 EEADMM CSc1ccc(C)c(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001607405543 1351488902 /nfs/dbraw/zinc/48/89/02/1351488902.db2.gz RMKUBAVKJDZGJY-ZDUSSCGKSA-N -1 1 336.457 2.338 20 0 EEADMM Cc1[nH]c(C(=O)CN2CCN(C)[C@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001607486257 1351502444 /nfs/dbraw/zinc/50/24/44/1351502444.db2.gz PPYUYHWFVZNOQV-AWEZNQCLSA-N -1 1 335.448 2.175 20 0 EEADMM Cc1c(C(=O)[O-])cc(CNC(=O)[C@@H](N)c2cccc(Cl)c2)n1C ZINC001607513543 1351508696 /nfs/dbraw/zinc/50/86/96/1351508696.db2.gz SNVXIPXJFSRMFE-AWEZNQCLSA-N -1 1 335.791 2.001 20 0 EEADMM Cc1cc(Br)c(CN[C@@](C)(CO)C(=O)[O-])cc1Cl ZINC001607562864 1351516137 /nfs/dbraw/zinc/51/61/37/1351516137.db2.gz VBCJLKFDGUJXQF-LBPRGKRZSA-N -1 1 336.613 2.336 20 0 EEADMM Cc1cc(C)c(NC(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c(C)c1 ZINC001607623432 1351527458 /nfs/dbraw/zinc/52/74/58/1351527458.db2.gz XRADALZKJBFWJN-MRXNPFEDSA-N -1 1 347.459 2.031 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC001607739067 1351549481 /nfs/dbraw/zinc/54/94/81/1351549481.db2.gz FDXAQNIXNGYTMZ-GZBFAFLISA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)O)C1 ZINC001607739067 1351549482 /nfs/dbraw/zinc/54/94/82/1351549482.db2.gz FDXAQNIXNGYTMZ-GZBFAFLISA-N -1 1 334.416 2.113 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC001607739774 1351549674 /nfs/dbraw/zinc/54/96/74/1351549674.db2.gz RYDPFQSHHULCFR-KPZWWZAWSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC001607739774 1351549679 /nfs/dbraw/zinc/54/96/79/1351549679.db2.gz RYDPFQSHHULCFR-KPZWWZAWSA-N -1 1 334.416 2.115 20 0 EEADMM Cc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)nc1Cl ZINC001607779154 1351557210 /nfs/dbraw/zinc/55/72/10/1351557210.db2.gz CLDGAJKXDTVDSE-YWFMTQBDSA-N -1 1 338.791 2.041 20 0 EEADMM Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(C(=O)[O-])[nH]3)C2)n1 ZINC001607855988 1351572860 /nfs/dbraw/zinc/57/28/60/1351572860.db2.gz SKIQZUQCVXQYFC-CYBMUJFWSA-N -1 1 342.399 2.267 20 0 EEADMM Cc1cccnc1CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001607891555 1351580272 /nfs/dbraw/zinc/58/02/72/1351580272.db2.gz UYTLKXNVFKPIDV-OAHLLOKOSA-N -1 1 325.368 2.131 20 0 EEADMM Cn1nccc1[C@H](O)C1CCN(Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001608164736 1351638837 /nfs/dbraw/zinc/63/88/37/1351638837.db2.gz VVUHZJSARFTKHD-QGZVFWFLSA-N -1 1 347.390 2.203 20 0 EEADMM O=C([O-])c1ccc(CNCC(=O)NCCc2ccccc2)cc1Cl ZINC001608341860 1351674039 /nfs/dbraw/zinc/67/40/39/1351674039.db2.gz LCCFEXSENCAJPZ-UHFFFAOYSA-N -1 1 346.814 2.487 20 0 EEADMM O=C([O-])c1ccccc1CCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001608453163 1351698171 /nfs/dbraw/zinc/69/81/71/1351698171.db2.gz XVLXQYJEBCADBW-UHFFFAOYSA-N -1 1 336.351 2.142 20 0 EEADMM O=C(Nc1ccc(OCc2nn[nH]n2)cc1)c1cccc(Cl)c1[O-] ZINC001628145350 1352522895 /nfs/dbraw/zinc/52/28/95/1352522895.db2.gz VPAYMXSVFPQJEA-UHFFFAOYSA-N -1 1 345.746 2.390 20 0 EEADMM CCn1c(Cc2nnn[n-]2)nnc1N1CCCC2(CCCCC2)CC1 ZINC001647702993 1353387393 /nfs/dbraw/zinc/38/73/93/1353387393.db2.gz XTFASFWZQPACPQ-UHFFFAOYSA-N -1 1 344.467 2.343 20 0 EEADMM CCn1c(Cc2nn[n-]n2)nnc1N1CCCC2(CCCCC2)CC1 ZINC001647702993 1353387397 /nfs/dbraw/zinc/38/73/97/1353387397.db2.gz XTFASFWZQPACPQ-UHFFFAOYSA-N -1 1 344.467 2.343 20 0 EEADMM CC(C)(C)[C@@H]1CN(c2nnc(-c3c[n-][nH]c3=O)n2CC2CC2)CCO1 ZINC001649275681 1353452780 /nfs/dbraw/zinc/45/27/80/1353452780.db2.gz MDBBUFXHTAQALU-ZDUSSCGKSA-N -1 1 346.435 2.035 20 0 EEADMM CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cnc(C3CC3)[n-]c2=O)n1C ZINC001650283346 1353820275 /nfs/dbraw/zinc/82/02/75/1353820275.db2.gz AMBRCRPDDPPXJZ-GXFFZTMASA-N -1 1 328.420 2.480 20 0 EEADMM CC(C)(C)[C@H]1CCCN(c2nnc(Cc3nnn[n-]3)n2CC2CC2)C1 ZINC001650521800 1353968877 /nfs/dbraw/zinc/96/88/77/1353968877.db2.gz FMPRTHZAEPPRHH-ZDUSSCGKSA-N -1 1 344.467 2.055 20 0 EEADMM CC(C)(C)[C@H]1CCCN(c2nnc(Cc3nn[n-]n3)n2CC2CC2)C1 ZINC001650521800 1353968879 /nfs/dbraw/zinc/96/88/79/1353968879.db2.gz FMPRTHZAEPPRHH-ZDUSSCGKSA-N -1 1 344.467 2.055 20 0 EEADMM O=C(COC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc([O-])cc1O ZINC000064877650 1354027544 /nfs/dbraw/zinc/02/75/44/1354027544.db2.gz QOQBRNUOGYNVDJ-UHFFFAOYSA-N -1 1 335.243 2.185 20 0 EEADMM C[C@@](CNC(=O)c1ncccc1[O-])(NC(=O)c1cccs1)C1CC1 ZINC001388255187 1387292300 /nfs/dbraw/zinc/29/23/00/1387292300.db2.gz ZABLAKJCLKCLFS-KRWDZBQOSA-N -1 1 345.424 2.177 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)ccc1Cl ZINC001185529379 1368156663 /nfs/dbraw/zinc/15/66/63/1368156663.db2.gz BRUGCIUDATTYSO-UHFFFAOYSA-N -1 1 338.816 2.477 20 0 EEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC001185555832 1368159242 /nfs/dbraw/zinc/15/92/42/1368159242.db2.gz JMRKCZTUCMUMJH-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1cnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc1C ZINC001188272882 1368292662 /nfs/dbraw/zinc/29/26/62/1368292662.db2.gz XQNMZLYNZNEFJA-UHFFFAOYSA-N -1 1 341.776 2.246 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2ccccc2-c2nc[nH]n2)c(OC)c1 ZINC001190136601 1368394411 /nfs/dbraw/zinc/39/44/11/1368394411.db2.gz CENXCCKUGGOAAX-UHFFFAOYSA-N -1 1 340.339 2.447 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1cccc(OC2CCC2)c1 ZINC001193167959 1368443980 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O=C(N[C@@H]1CC[C@H](CNc2ncc(Cl)cn2)C1)c1ncccc1[O-] ZINC001069461574 1370133410 /nfs/dbraw/zinc/13/34/10/1370133410.db2.gz QEKDTRIEEXXLEY-CMPLNLGQSA-N -1 1 347.806 2.241 20 0 EEADMM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])cn1 ZINC001413702771 1370532519 /nfs/dbraw/zinc/53/25/19/1370532519.db2.gz PRHYBGWOSAUGBG-INIZCTEOSA-N -1 1 342.395 2.470 20 0 EEADMM CCc1nnc(C)cc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000783900645 1371373041 /nfs/dbraw/zinc/37/30/41/1371373041.db2.gz DJICITNECNZNLO-UHFFFAOYSA-N -1 1 337.177 2.463 20 0 EEADMM CCCNC(=O)NC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001413924503 1388135159 /nfs/dbraw/zinc/13/51/59/1388135159.db2.gz HZXPXPNBYSBONU-UHFFFAOYSA-N -1 1 346.412 2.177 20 0 EEADMM Cc1ccc(CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000830840693 1372352567 /nfs/dbraw/zinc/35/25/67/1372352567.db2.gz LDFFTCDHTZVOTP-HNNXBMFYSA-N -1 1 328.334 2.207 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCc2nonc2C)n1 ZINC000837707434 1372797731 /nfs/dbraw/zinc/79/77/31/1372797731.db2.gz 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Cc1cc(-c2nn[n-]n2)nc(NCC[C@]2(C)CC2(Cl)Cl)n1 ZINC001591895552 1403970311 /nfs/dbraw/zinc/97/03/11/1403970311.db2.gz PQIOXWNFVABZRA-LLVKDONJSA-N -1 1 328.207 2.351 20 0 EEADMM Cc1noc(C2CC2)c1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001592460523 1404696234 /nfs/dbraw/zinc/69/62/34/1404696234.db2.gz FSDJCUHQAAPRJL-UHFFFAOYSA-N -1 1 345.388 2.424 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001592498875 1404702978 /nfs/dbraw/zinc/70/29/78/1404702978.db2.gz GQLKGQZUPYQVCS-IANATYFASA-N -1 1 325.372 2.052 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001592498875 1404702984 /nfs/dbraw/zinc/70/29/84/1404702984.db2.gz GQLKGQZUPYQVCS-IANATYFASA-N -1 1 325.372 2.052 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606034096 1404758055 /nfs/dbraw/zinc/75/80/55/1404758055.db2.gz LHTMIUSLTHTTDI-UHFFFAOYSA-N -1 1 338.371 2.446 20 0 EEADMM Cc1nc(C(C)C)ccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606034096 1404758060 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2.063 20 0 EEADMM COC(=O)[C@H](CC(C)(C)C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826104223 947430807 /nfs/dbraw/zinc/43/08/07/947430807.db2.gz SDBNYFKVMOBTIW-QMMMGPOBSA-N -1 1 338.389 2.063 20 0 EEADMM CSc1ccc(C)c(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826230320 947675159 /nfs/dbraw/zinc/67/51/59/947675159.db2.gz NNKGIKZJGDPZLB-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM CSc1ccc(C)c(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826230320 947675166 /nfs/dbraw/zinc/67/51/66/947675166.db2.gz NNKGIKZJGDPZLB-UHFFFAOYSA-N -1 1 344.404 2.275 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826343066 947985869 /nfs/dbraw/zinc/98/58/69/947985869.db2.gz LCPDFMANIRDIGD-SECBINFHSA-N -1 1 344.350 2.064 20 0 EEADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826343066 947985871 /nfs/dbraw/zinc/98/58/71/947985871.db2.gz LCPDFMANIRDIGD-SECBINFHSA-N -1 1 344.350 2.064 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826429155 948278906 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C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[O-])CN1Cc1ccccc1 ZINC000398117359 485675479 /nfs/dbraw/zinc/67/54/79/485675479.db2.gz ZSWLBPZWBBLYFK-GOEBONIOSA-N -1 1 346.452 2.334 20 0 EEADMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000671188306 485774227 /nfs/dbraw/zinc/77/42/27/485774227.db2.gz WINYKVWHCXEUTQ-MLUIRONXSA-N -1 1 326.162 2.414 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c(F)c1 ZINC000680102824 485890314 /nfs/dbraw/zinc/89/03/14/485890314.db2.gz MIRFFVXLHODENT-GHMZBOCLSA-N -1 1 349.399 2.457 20 0 EEADMM COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1-n1nnnc1C ZINC000681039915 486121099 /nfs/dbraw/zinc/12/10/99/486121099.db2.gz RPRPHRRFRHRQHM-UHFFFAOYSA-N -1 1 343.318 2.076 20 0 EEADMM Cc1onc(N)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000685493007 486131374 /nfs/dbraw/zinc/13/13/74/486131374.db2.gz IWZILEGLGLTQBB-UHFFFAOYSA-N -1 1 325.365 2.062 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1c([O-])cccc1F ZINC000681315820 486209194 /nfs/dbraw/zinc/20/91/94/486209194.db2.gz KFKLKUXVGAWKHC-ZDUSSCGKSA-N -1 1 333.359 2.318 20 0 EEADMM COc1cc2ccccc2cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000681352530 486218053 /nfs/dbraw/zinc/21/80/53/486218053.db2.gz FPMRHVNYAPLVGN-LLVKDONJSA-N -1 1 325.372 2.237 20 0 EEADMM CCn1nccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000681479655 486251152 /nfs/dbraw/zinc/25/11/52/486251152.db2.gz XHIAZEIJHOBCHU-UHFFFAOYSA-N -1 1 327.384 2.344 20 0 EEADMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000676859095 486328024 /nfs/dbraw/zinc/32/80/24/486328024.db2.gz ULYJLAMQJVVPLS-ZDUSSCGKSA-N -1 1 337.388 2.049 20 0 EEADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)o1 ZINC000677925845 486525088 /nfs/dbraw/zinc/52/50/88/486525088.db2.gz GLFMSIUANBUSTF-DYEKYZERSA-N -1 1 329.404 2.255 20 0 EEADMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451146385 534500523 /nfs/dbraw/zinc/50/05/23/534500523.db2.gz LJJAVZRJIVFXKP-UHFFFAOYSA-N -1 1 342.392 2.013 20 0 EEADMM O=C(NC[C@H]1CCCCN1C(=O)c1ncccc1[O-])c1ccccc1 ZINC000153937412 534638752 /nfs/dbraw/zinc/63/87/52/534638752.db2.gz HJXXKBRYBZHKHD-OAHLLOKOSA-N -1 1 339.395 2.212 20 0 EEADMM CCCn1cc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1 ZINC000183595067 528838181 /nfs/dbraw/zinc/83/81/81/528838181.db2.gz LOSKCUBMYXGKOD-UHFFFAOYSA-N -1 1 340.380 2.056 20 0 EEADMM CCN(C(=O)c1[nH]c(=O)[n-]c(=O)c1OC)[C@H](C)c1ccc(F)cc1 ZINC000416135212 529104179 /nfs/dbraw/zinc/10/41/79/529104179.db2.gz QGYQHTIWIADYSK-SECBINFHSA-N -1 1 335.335 2.259 20 0 EEADMM CC[C@H](C)[C@H](C)N(C(=O)c1coc(S(=O)(=O)[N-]C)c1)C1CC1 ZINC000131627051 529238368 /nfs/dbraw/zinc/23/83/68/529238368.db2.gz FPFRXRRCLHWDJE-QWRGUYRKSA-N -1 1 328.434 2.227 20 0 EEADMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)OC ZINC000451672874 535650324 /nfs/dbraw/zinc/65/03/24/535650324.db2.gz JJJBOSZQKJDDQW-PRHODGIISA-N -1 1 325.352 2.443 20 0 EEADMM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000427102263 536704801 /nfs/dbraw/zinc/70/48/01/536704801.db2.gz FQRGKNFZWLQDCG-UHFFFAOYSA-N -1 1 335.381 2.420 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1ccsc1 ZINC000738259816 578006525 /nfs/dbraw/zinc/00/65/25/578006525.db2.gz WMNVYBUAJAHMQS-ZDUSSCGKSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1ccsc1 ZINC000738259816 578006526 /nfs/dbraw/zinc/00/65/26/578006526.db2.gz WMNVYBUAJAHMQS-ZDUSSCGKSA-N -1 1 326.385 2.301 20 0 EEADMM c1cn(-c2ccccc2)nc1CCNc1cccc(-c2nnn[n-]2)n1 ZINC000738425126 578014364 /nfs/dbraw/zinc/01/43/64/578014364.db2.gz KRMUXVGFVSXPON-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM c1cn(-c2ccccc2)nc1CCNc1cccc(-c2nn[n-]n2)n1 ZINC000738425126 578014365 /nfs/dbraw/zinc/01/43/65/578014365.db2.gz KRMUXVGFVSXPON-UHFFFAOYSA-N -1 1 332.371 2.102 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1c(C)cccc1C ZINC000750944997 576484311 /nfs/dbraw/zinc/48/43/11/576484311.db2.gz YVJIPSAUWHGZAY-UHFFFAOYSA-N -1 1 338.385 2.279 20 0 EEADMM Cc1ccc(C[C@@H](C)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000738584960 576614098 /nfs/dbraw/zinc/61/40/98/576614098.db2.gz 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577381242 /nfs/dbraw/zinc/38/12/42/577381242.db2.gz YTKHDROWMANUKE-AWEZNQCLSA-N -1 1 342.424 2.214 20 0 EEADMM O=C([N-]CCCOC(=O)[C@@H]1Cc2ccccc2S1)C(F)(F)F ZINC000774899558 577422482 /nfs/dbraw/zinc/42/24/82/577422482.db2.gz ZMVQBIVKVJLEEV-NSHDSACASA-N -1 1 333.331 2.315 20 0 EEADMM COc1ncc(C=CC(=O)OCCc2cc(C(C)=O)ccc2[O-])cn1 ZINC000775117932 577430341 /nfs/dbraw/zinc/43/03/41/577430341.db2.gz HWHKHAHNIAIPHH-UTCJRWHESA-N -1 1 342.351 2.193 20 0 EEADMM COc1ccnc(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)c1 ZINC000775717624 577443591 /nfs/dbraw/zinc/44/35/91/577443591.db2.gz QCFDAUVWVGSZLJ-UHFFFAOYSA-N -1 1 347.802 2.412 20 0 EEADMM COC(=O)[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc2O1 ZINC000767300789 577534041 /nfs/dbraw/zinc/53/40/41/577534041.db2.gz NLYNTOCMHXOZTO-HNNXBMFYSA-N -1 1 331.299 2.112 20 0 EEADMM COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000768266916 577553047 /nfs/dbraw/zinc/55/30/47/577553047.db2.gz YISRBNBQEXKIDZ-INIZCTEOSA-N -1 1 335.331 2.012 20 0 EEADMM CC(=O)Nc1ccc(F)c(C(=O)[N-]N2CCc3ccccc3C2=O)c1 ZINC000770551913 577598655 /nfs/dbraw/zinc/59/86/55/577598655.db2.gz XMQOUKRYFQDQGH-UHFFFAOYSA-N -1 1 341.342 2.127 20 0 EEADMM O=C([N-]OCC(F)F)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000759333915 577641181 /nfs/dbraw/zinc/64/11/81/577641181.db2.gz GCFIEPZMFSATAW-SNVBAGLBSA-N -1 1 332.734 2.001 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)o1 ZINC000761088031 577676252 /nfs/dbraw/zinc/67/62/52/577676252.db2.gz ZZBHEDIESQOBBH-RYUDHWBXSA-N -1 1 339.413 2.337 20 0 EEADMM COC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000762566916 577703355 /nfs/dbraw/zinc/70/33/55/577703355.db2.gz ACWIAOKVDYWSDZ-UHFFFAOYSA-N -1 1 338.360 2.483 20 0 EEADMM CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cccc(Cl)c1 ZINC000750943550 577745692 /nfs/dbraw/zinc/74/56/92/577745692.db2.gz JNJVGRKPLACASV-UHFFFAOYSA-N -1 1 344.776 2.316 20 0 EEADMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000755179266 577821404 /nfs/dbraw/zinc/82/14/04/577821404.db2.gz JZIQBBPTKFIVSZ-SSDOTTSWSA-N -1 1 333.763 2.473 20 0 EEADMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc(Cl)nc1 ZINC000742233347 577869267 /nfs/dbraw/zinc/86/92/67/577869267.db2.gz KNENEBZLECLVFY-UHFFFAOYSA-N -1 1 344.742 2.125 20 0 EEADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc2c(s1)CCC2 ZINC000749320599 577974599 /nfs/dbraw/zinc/97/45/99/577974599.db2.gz ZWVGOBMMIITVOH-CQSZACIVSA-N -1 1 325.397 2.269 20 0 EEADMM Cc1oc(C(=O)[O-])cc1CN1CCCN(c2ccc(C)nn2)CC1 ZINC000738615115 578021431 /nfs/dbraw/zinc/02/14/31/578021431.db2.gz JIAVDKVZBFSYTM-UHFFFAOYSA-N -1 1 330.388 2.097 20 0 EEADMM O=C([O-])C1(NC(=O)CN2CCCc3ccccc3C2)CCCCC1 ZINC000739290655 578047106 /nfs/dbraw/zinc/04/71/06/578047106.db2.gz VUOONYBDCFGOSH-UHFFFAOYSA-N -1 1 330.428 2.339 20 0 EEADMM O=C([O-])CNC(=O)CCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000739804861 578068582 /nfs/dbraw/zinc/06/85/82/578068582.db2.gz APQFMSIURXKDEC-CYBMUJFWSA-N -1 1 342.848 2.021 20 0 EEADMM O=C([O-])Nc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1F ZINC000740013420 578077295 /nfs/dbraw/zinc/07/72/95/578077295.db2.gz QQHCLKRUZHFUGX-UHFFFAOYSA-N -1 1 329.284 2.251 20 0 EEADMM C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CCCC(C)(C)C1 ZINC000735563916 578160573 /nfs/dbraw/zinc/16/05/73/578160573.db2.gz VJHIIISTPPHHPF-GFCCVEGCSA-N -1 1 328.420 2.316 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccnc1-c1nnn[n-]1 ZINC000736232385 578188805 /nfs/dbraw/zinc/18/88/05/578188805.db2.gz CTDCQVBWXQHOLQ-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1nccnc1-c1nn[n-]n1 ZINC000736232385 578188806 /nfs/dbraw/zinc/18/88/06/578188806.db2.gz CTDCQVBWXQHOLQ-CMPLNLGQSA-N -1 1 325.351 2.178 20 0 EEADMM CC(C)N(C(=O)CN(CCC(=O)[O-])C[C@H]1CCCO1)C1CCCC1 ZINC000736456025 578204855 /nfs/dbraw/zinc/20/48/55/578204855.db2.gz VJHZFOIPVCQGOT-MRXNPFEDSA-N -1 1 340.464 2.122 20 0 EEADMM CC(C)c1nc(CN(C)[C@@H]2CCN(Cc3occc3C(=O)[O-])C2)no1 ZINC000736526525 578210284 /nfs/dbraw/zinc/21/02/84/578210284.db2.gz XUCUABGNDQIGRM-GFCCVEGCSA-N -1 1 348.403 2.191 20 0 EEADMM C[C@H](CN(C(=O)[C@@H](C)N1CCc2ccccc2C1)C1CC1)C(=O)[O-] ZINC000736561773 578211490 /nfs/dbraw/zinc/21/14/90/578211490.db2.gz MTKUCUGMXQKGHT-ZIAGYGMSSA-N -1 1 330.428 2.145 20 0 EEADMM C[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000736595912 578213752 /nfs/dbraw/zinc/21/37/52/578213752.db2.gz NTDZLMJLNXSWET-HYVNUMGLSA-N -1 1 344.455 2.440 20 0 EEADMM CCOc1ccc(Nc2cnc(-c3nnn[n-]3)cn2)cc1OCC ZINC000736645943 578216222 /nfs/dbraw/zinc/21/62/22/578216222.db2.gz AZXKVQAUCFTTEE-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM CCOc1ccc(Nc2cnc(-c3nn[n-]n3)cn2)cc1OCC ZINC000736645943 578216223 /nfs/dbraw/zinc/21/62/23/578216223.db2.gz AZXKVQAUCFTTEE-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM CCc1nn(Cc2cc(C)cc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706376 578219424 /nfs/dbraw/zinc/21/94/24/578219424.db2.gz KGPRJSKBYFZEEC-UHFFFAOYSA-N -1 1 338.415 2.213 20 0 EEADMM C[C@H](C(=O)OCc1cn2cccc(C(=O)[O-])c2n1)N1[C@H](C)CC[C@H]1C ZINC000736760296 578222121 /nfs/dbraw/zinc/22/21/21/578222121.db2.gz BYGFPHCRSRRKNJ-JHJVBQTASA-N -1 1 345.399 2.337 20 0 EEADMM CC[C@@H](O)[C@@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736922785 578229688 /nfs/dbraw/zinc/22/96/88/578229688.db2.gz AHEFOTYANGQEGW-JKSUJKDBSA-N -1 1 334.416 2.257 20 0 EEADMM CCC[C@](C)(NCC(=O)NCc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000736962959 578231392 /nfs/dbraw/zinc/23/13/92/578231392.db2.gz HPXDNUXXNJFEKV-INIZCTEOSA-N -1 1 342.823 2.198 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000737086878 578237336 /nfs/dbraw/zinc/23/73/36/578237336.db2.gz CCIVUNNXMIATFG-LLVKDONJSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000737086878 578237337 /nfs/dbraw/zinc/23/73/37/578237337.db2.gz CCIVUNNXMIATFG-LLVKDONJSA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000737120040 578239465 /nfs/dbraw/zinc/23/94/65/578239465.db2.gz YCSXSBXXCLKDBP-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM COc1ccc2c(c1)CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000737120040 578239466 /nfs/dbraw/zinc/23/94/66/578239466.db2.gz YCSXSBXXCLKDBP-UHFFFAOYSA-N -1 1 342.790 2.486 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000737165139 578241574 /nfs/dbraw/zinc/24/15/74/578241574.db2.gz OPVJDZHHHVBSNY-LSDHHAIUSA-N -1 1 334.416 2.459 20 0 EEADMM Cc1cc(C)cc(OCCCn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000737257145 578246458 /nfs/dbraw/zinc/24/64/58/578246458.db2.gz RDJVVJMJVYSGSE-UHFFFAOYSA-N -1 1 325.372 2.114 20 0 EEADMM CCc1ccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)s1 ZINC000737265538 578246962 /nfs/dbraw/zinc/24/69/62/578246962.db2.gz SENRRZLJXIPHMF-AWEZNQCLSA-N -1 1 336.457 2.113 20 0 EEADMM CCc1csc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1 ZINC000737275456 578247634 /nfs/dbraw/zinc/24/76/34/578247634.db2.gz VCXPTIDOBCPNIN-UHFFFAOYSA-N -1 1 342.398 2.213 20 0 EEADMM CN(C)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC000737359640 578252547 /nfs/dbraw/zinc/25/25/47/578252547.db2.gz VMPFMVUAXJCOKZ-AWEZNQCLSA-N -1 1 349.362 2.219 20 0 EEADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1F ZINC000737360709 578252694 /nfs/dbraw/zinc/25/26/94/578252694.db2.gz ARRMQZJLKYFKIW-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1CCSC1 ZINC000737546260 578263325 /nfs/dbraw/zinc/26/33/25/578263325.db2.gz CJKGYPUGAJCUKA-JTQLQIEISA-N -1 1 345.384 2.221 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1CCSC1 ZINC000737546260 578263326 /nfs/dbraw/zinc/26/33/26/578263326.db2.gz CJKGYPUGAJCUKA-JTQLQIEISA-N -1 1 345.384 2.221 20 0 EEADMM Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000737639403 578268178 /nfs/dbraw/zinc/26/81/78/578268178.db2.gz QNAFMSJDQMAMSJ-OAHLLOKOSA-N -1 1 327.367 2.456 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000263390988 596926091 /nfs/dbraw/zinc/92/60/91/596926091.db2.gz QMQWJLSHVODHJU-UHFFFAOYSA-N -1 1 328.372 2.197 20 0 EEADMM C[C@@H](C(=O)[O-])N(C)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC000817779383 597477592 /nfs/dbraw/zinc/47/75/92/597477592.db2.gz MLAWSJRYYCQRGL-ZETCQYMHSA-N -1 1 329.278 2.259 20 0 EEADMM CN1CCc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2C1=O ZINC000821629786 607318506 /nfs/dbraw/zinc/31/85/06/607318506.db2.gz BQYIWZLFJXYTDB-UHFFFAOYSA-N -1 1 340.412 2.168 20 0 EEADMM CC[C@H](C)[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)C(=O)[O-] ZINC000820459780 598187891 /nfs/dbraw/zinc/18/78/91/598187891.db2.gz SVEQHUGZYAAVJA-GUYCJALGSA-N -1 1 333.432 2.314 20 0 EEADMM CO[C@H](C)C(=O)Nc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821673509 599416908 /nfs/dbraw/zinc/41/69/08/599416908.db2.gz DIGJJDDHBPHOBE-SNVBAGLBSA-N -1 1 342.359 2.045 20 0 EEADMM CO[C@H](C)C(=O)Nc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821673509 599416910 /nfs/dbraw/zinc/41/69/10/599416910.db2.gz DIGJJDDHBPHOBE-SNVBAGLBSA-N -1 1 342.359 2.045 20 0 EEADMM O[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cc1ccccc1 ZINC000823690948 599527344 /nfs/dbraw/zinc/52/73/44/599527344.db2.gz YRZDABRVNZCQII-AWEZNQCLSA-N -1 1 346.394 2.430 20 0 EEADMM O[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cc1ccccc1 ZINC000823690948 599527346 /nfs/dbraw/zinc/52/73/46/599527346.db2.gz YRZDABRVNZCQII-AWEZNQCLSA-N -1 1 346.394 2.430 20 0 EEADMM CO[C@]1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C1(C)C ZINC000821678507 599688322 /nfs/dbraw/zinc/68/83/22/599688322.db2.gz OQLTYYARUFIYMF-SJKOYZFVSA-N -1 1 339.403 2.425 20 0 EEADMM CO[C@]1(C)C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C1(C)C ZINC000821678507 599688323 /nfs/dbraw/zinc/68/83/23/599688323.db2.gz OQLTYYARUFIYMF-SJKOYZFVSA-N -1 1 339.403 2.425 20 0 EEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1 ZINC000129673057 600626458 /nfs/dbraw/zinc/62/64/58/600626458.db2.gz KDUHTANTFHHNHR-UHFFFAOYSA-N -1 1 326.761 2.163 20 0 EEADMM CC(C)OCCCN(C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000827026946 600822385 /nfs/dbraw/zinc/82/23/85/600822385.db2.gz ATZHWKBPYBKLOW-CYBMUJFWSA-N -1 1 340.445 2.299 20 0 EEADMM CCO[C@H](C)c1nc(CN2CCN(CCCC(=O)[O-])CC2)cs1 ZINC000262275585 600838494 /nfs/dbraw/zinc/83/84/94/600838494.db2.gz 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C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000251545228 601520608 /nfs/dbraw/zinc/52/06/08/601520608.db2.gz AYQXEEVBWPTPES-JOYOIKCWSA-N -1 1 341.205 2.040 20 0 EEADMM O=C([O-])C[C@@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)CCO1 ZINC000833217740 601760431 /nfs/dbraw/zinc/76/04/31/601760431.db2.gz MADKXQBEOBFJSR-MRVPVSSYSA-N -1 1 334.155 2.015 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1C(=O)[O-] ZINC000318677560 601769036 /nfs/dbraw/zinc/76/90/36/601769036.db2.gz JHUPCXBKGSLNDJ-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1F ZINC000833116355 601878897 /nfs/dbraw/zinc/87/88/97/601878897.db2.gz RUXBIIHBALLOHQ-UHFFFAOYSA-N -1 1 345.402 2.395 20 0 EEADMM CCCCCC[C@]1(C)NC(=O)N(CN2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829357949 601889971 /nfs/dbraw/zinc/88/99/71/601889971.db2.gz WFMLSSUUHAVPMI-IRXDYDNUSA-N -1 1 339.436 2.021 20 0 EEADMM CC(C)N(C(=O)CN1CCSC[C@@H]1CC(=O)[O-])C1CCCC1 ZINC000826924840 601891627 /nfs/dbraw/zinc/89/16/27/601891627.db2.gz 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20 0 EEADMM CCC(CC)(CNC(=O)N1C[C@H]2CCCCN2C[C@@H]1C)C(=O)[O-] ZINC000322257583 605097063 /nfs/dbraw/zinc/09/70/63/605097063.db2.gz OOIJUZUOWWQLMH-UONOGXRCSA-N -1 1 325.453 2.146 20 0 EEADMM C[C@@H](OC1CCCCCC1)C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833535670 605113950 /nfs/dbraw/zinc/11/39/50/605113950.db2.gz LLZROMKYGGWEFW-LSDHHAIUSA-N -1 1 340.464 2.122 20 0 EEADMM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cccnc2)CC12CCCCC2 ZINC000833391067 605142478 /nfs/dbraw/zinc/14/24/78/605142478.db2.gz MXVHQMMNJAZBBO-MRXNPFEDSA-N -1 1 331.416 2.074 20 0 EEADMM C[C@H]1CN(C(=O)c2cccc3ccccc32)CCN1CCC(=O)[O-] ZINC000833625508 605250477 /nfs/dbraw/zinc/25/04/77/605250477.db2.gz YQHNMZZVFMQOAE-AWEZNQCLSA-N -1 1 326.396 2.461 20 0 EEADMM C[C@H]1CN(C(=O)CC/C=C/c2ccccc2)CCN1CCC(=O)[O-] ZINC000833617774 605253457 /nfs/dbraw/zinc/25/34/57/605253457.db2.gz GWENSDPFGYTBOT-RDTXFTJFSA-N -1 1 330.428 2.487 20 0 EEADMM CCN1C[C@@H](C)N(C(=O)NCC2(C(=O)[O-])CCCCC2)C[C@H]1C ZINC000833658590 605435766 /nfs/dbraw/zinc/43/57/66/605435766.db2.gz UEFOUOVUMVZXQC-ZIAGYGMSSA-N -1 1 325.453 2.146 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820861904 606154971 /nfs/dbraw/zinc/15/49/71/606154971.db2.gz OKRXVNOXJQIQBX-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820861904 606154973 /nfs/dbraw/zinc/15/49/73/606154973.db2.gz OKRXVNOXJQIQBX-JQWIXIFHSA-N -1 1 332.412 2.033 20 0 EEADMM COC(=O)c1cccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821670214 606439871 /nfs/dbraw/zinc/43/98/71/606439871.db2.gz RWWHDRSLQMOOLS-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM COC(=O)c1cccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821670214 606439873 /nfs/dbraw/zinc/43/98/73/606439873.db2.gz RWWHDRSLQMOOLS-UHFFFAOYSA-N -1 1 331.719 2.494 20 0 EEADMM O=C1Cc2cc(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)ccc2N1 ZINC000823542058 606468170 /nfs/dbraw/zinc/46/81/70/606468170.db2.gz VSRKRAOTPDVJFT-UHFFFAOYSA-N -1 1 327.735 2.153 20 0 EEADMM O=C1Cc2cc(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc2N1 ZINC000823542058 606468172 /nfs/dbraw/zinc/46/81/72/606468172.db2.gz VSRKRAOTPDVJFT-UHFFFAOYSA-N -1 1 327.735 2.153 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821841645 606495162 /nfs/dbraw/zinc/49/51/62/606495162.db2.gz KVMFSVHHEGZYMS-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM COc1ccc(OC)c(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821841645 606495163 /nfs/dbraw/zinc/49/51/63/606495163.db2.gz KVMFSVHHEGZYMS-UHFFFAOYSA-N -1 1 346.368 2.302 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821611244 606501675 /nfs/dbraw/zinc/50/16/75/606501675.db2.gz XEZPEJXNRKNYKL-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821611244 606501676 /nfs/dbraw/zinc/50/16/76/606501676.db2.gz XEZPEJXNRKNYKL-UHFFFAOYSA-N -1 1 335.339 2.479 20 0 EEADMM Cc1ccccc1OCCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822366086 606529467 /nfs/dbraw/zinc/52/94/67/606529467.db2.gz AWIILXJCPZYPJH-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1ccccc1OCCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822366086 606529468 /nfs/dbraw/zinc/52/94/68/606529468.db2.gz AWIILXJCPZYPJH-UHFFFAOYSA-N -1 1 329.385 2.045 20 0 EEADMM Cc1ccc(SCCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000822266481 606531054 /nfs/dbraw/zinc/53/10/54/606531054.db2.gz AYFZFJBFOMGGKW-UHFFFAOYSA-N -1 1 329.389 2.019 20 0 EEADMM Cc1ccc(SCCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000822266481 606531055 /nfs/dbraw/zinc/53/10/55/606531055.db2.gz AYFZFJBFOMGGKW-UHFFFAOYSA-N -1 1 329.389 2.019 20 0 EEADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000821308958 606600025 /nfs/dbraw/zinc/60/00/25/606600025.db2.gz ILNZXLLLXQHHRY-UHFFFAOYSA-N -1 1 344.400 2.099 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820299994 606646909 /nfs/dbraw/zinc/64/69/09/606646909.db2.gz MLENTMMLKARBOP-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820299994 606646910 /nfs/dbraw/zinc/64/69/10/606646910.db2.gz MLENTMMLKARBOP-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CC1 ZINC000823429743 606647618 /nfs/dbraw/zinc/64/76/18/606647618.db2.gz ABOLIKZAEJYJRP-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CC1 ZINC000823429743 606647619 /nfs/dbraw/zinc/64/76/19/606647619.db2.gz ABOLIKZAEJYJRP-UHFFFAOYSA-N -1 1 339.330 2.176 20 0 EEADMM Cn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000822668552 606649687 /nfs/dbraw/zinc/64/96/87/606649687.db2.gz ANWXRSPAXJFKIE-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Cn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000822668552 606649688 /nfs/dbraw/zinc/64/96/88/606649688.db2.gz ANWXRSPAXJFKIE-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Cn1ccc2c1cccc2C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822689892 606650566 /nfs/dbraw/zinc/65/05/66/606650566.db2.gz QUKFLQNKCNWUTL-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM Cn1ccc2c1cccc2C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822689892 606650567 /nfs/dbraw/zinc/65/05/67/606650567.db2.gz QUKFLQNKCNWUTL-UHFFFAOYSA-N -1 1 334.339 2.110 20 0 EEADMM c1cn2ccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cc2n1 ZINC000823797484 606794291 /nfs/dbraw/zinc/79/42/91/606794291.db2.gz QGZCDALZZLKVGX-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM c1cn2ccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cc2n1 ZINC000823797484 606794293 /nfs/dbraw/zinc/79/42/93/606794293.db2.gz QGZCDALZZLKVGX-UHFFFAOYSA-N -1 1 343.354 2.070 20 0 EEADMM CC1(C)Cc2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2O1 ZINC000820607642 607091661 /nfs/dbraw/zinc/09/16/61/607091661.db2.gz XRDLPSTVMFOFHX-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM CC1(C)Cc2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2O1 ZINC000820607642 607091663 /nfs/dbraw/zinc/09/16/63/607091663.db2.gz XRDLPSTVMFOFHX-UHFFFAOYSA-N -1 1 336.355 2.228 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCCC2 ZINC000823380244 607108601 /nfs/dbraw/zinc/10/86/01/607108601.db2.gz TUXUWNGHMJNUOT-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCCC2 ZINC000823380244 607108603 /nfs/dbraw/zinc/10/86/03/607108603.db2.gz TUXUWNGHMJNUOT-UHFFFAOYSA-N -1 1 326.385 2.454 20 0 EEADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819782606 607234096 /nfs/dbraw/zinc/23/40/96/607234096.db2.gz OYWFSZDUSKYTQK-JTQLQIEISA-N -1 1 331.376 2.296 20 0 EEADMM CCCCC[C@@H](C)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825265730 607866083 /nfs/dbraw/zinc/86/60/83/607866083.db2.gz AJWZHVZYOKPOQP-LLVKDONJSA-N -1 1 335.383 2.470 20 0 EEADMM CCCCC[C@@H](C)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825265730 607866084 /nfs/dbraw/zinc/86/60/84/607866084.db2.gz AJWZHVZYOKPOQP-LLVKDONJSA-N -1 1 335.383 2.470 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000826450786 607996708 /nfs/dbraw/zinc/99/67/08/607996708.db2.gz DHBQBQNADMPWCB-UHFFFAOYSA-N -1 1 348.322 2.078 20 0 EEADMM CCO[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1 ZINC000825577737 607997413 /nfs/dbraw/zinc/99/74/13/607997413.db2.gz ZKPWUONHCMWFLI-HNNXBMFYSA-N -1 1 339.355 2.289 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCOc2ccccc21 ZINC000826451186 607997754 /nfs/dbraw/zinc/99/77/54/607997754.db2.gz UUHHOGLQNRPYIZ-LBPRGKRZSA-N -1 1 337.339 2.077 20 0 EEADMM O=C(Cc1cc2ccccc2o1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826421547 607998886 /nfs/dbraw/zinc/99/88/86/607998886.db2.gz MZYNPIDDRWBZQK-UHFFFAOYSA-N -1 1 335.323 2.500 20 0 EEADMM C[C@@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)Cn1cccn1 ZINC000824429042 608367626 /nfs/dbraw/zinc/36/76/26/608367626.db2.gz VLXOCQRCUWSANX-LBPRGKRZSA-N -1 1 334.387 2.360 20 0 EEADMM C[C@@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)Cn1cccn1 ZINC000824429042 608367628 /nfs/dbraw/zinc/36/76/28/608367628.db2.gz VLXOCQRCUWSANX-LBPRGKRZSA-N -1 1 334.387 2.360 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826191565 608405013 /nfs/dbraw/zinc/40/50/13/608405013.db2.gz JMSFLXNCEUGSCF-NSHDSACASA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826191565 608405016 /nfs/dbraw/zinc/40/50/16/608405016.db2.gz JMSFLXNCEUGSCF-NSHDSACASA-N -1 1 325.376 2.099 20 0 EEADMM CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000824783026 609287232 /nfs/dbraw/zinc/28/72/32/609287232.db2.gz BPAJYJDIHVBAGA-UHFFFAOYSA-N -1 1 341.350 2.320 20 0 EEADMM CO[C@H]1Cc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2C1 ZINC000826147190 609602572 /nfs/dbraw/zinc/60/25/72/609602572.db2.gz PMQLJZOCXGVRLU-LBPRGKRZSA-N -1 1 341.396 2.294 20 0 EEADMM CO[C@H]1Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2C1 ZINC000826147190 609602574 /nfs/dbraw/zinc/60/25/74/609602574.db2.gz PMQLJZOCXGVRLU-LBPRGKRZSA-N -1 1 341.396 2.294 20 0 EEADMM Cc1nc(CCN2CC([C@H](C)NC(=O)c3ccccc3O)C2)cs1 ZINC000969326722 674844005 /nfs/dbraw/zinc/84/40/05/674844005.db2.gz JNCDEFDYGJUUKB-LBPRGKRZSA-N -1 1 345.468 2.450 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020701680 675426052 /nfs/dbraw/zinc/42/60/52/675426052.db2.gz UHIDHNLTEQDJPT-HIFRSBDPSA-N -1 1 347.459 2.438 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020795899 675501667 /nfs/dbraw/zinc/50/16/67/675501667.db2.gz IFMOBYDGVKFPKH-ZIAGYGMSSA-N -1 1 347.459 2.438 20 0 EEADMM CCCCCCN(Cc1ccco1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000890936605 675778347 /nfs/dbraw/zinc/77/83/47/675778347.db2.gz NGTDETVNVJFKGQ-UHFFFAOYSA-N -1 1 347.415 2.129 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccccc2F)o1 ZINC000051111558 676593724 /nfs/dbraw/zinc/59/37/24/676593724.db2.gz ZLWAWCDVMWYTIQ-SECBINFHSA-N -1 1 327.333 2.245 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccnn1CC(F)(F)F ZINC000891615010 676721142 /nfs/dbraw/zinc/72/11/42/676721142.db2.gz OMLZVPKYJJRXIB-UHFFFAOYSA-N -1 1 341.293 2.072 20 0 EEADMM C[C@]1(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)COc2ccccc2O1 ZINC000891616093 676723475 /nfs/dbraw/zinc/72/34/75/676723475.db2.gz UVBBKRACDBNJSR-GOSISDBHSA-N -1 1 341.367 2.230 20 0 EEADMM COc1cc(OC)cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC000891629435 676736046 /nfs/dbraw/zinc/73/60/46/676736046.db2.gz AUYSCEPBEGQKSK-UHFFFAOYSA-N -1 1 329.356 2.331 20 0 EEADMM COCc1nc(N2CCC([C@@H](O)c3ccccc3)CC2)cc(=O)[n-]1 ZINC000891670249 676763634 /nfs/dbraw/zinc/76/36/34/676763634.db2.gz DIZSJLQVQXSKAB-SFHVURJKSA-N -1 1 329.400 2.279 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cc2ccccc2o1)NCc1ccccc1 ZINC000084539132 676776675 /nfs/dbraw/zinc/77/66/75/676776675.db2.gz BEPDYXBCEKINRE-UHFFFAOYSA-N -1 1 344.392 2.028 20 0 EEADMM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2nc[nH]c2Br)C1 ZINC000866860296 677920296 /nfs/dbraw/zinc/92/02/96/677920296.db2.gz SAVFKEMTSUWDGD-IUCAKERBSA-N -1 1 336.255 2.419 20 0 EEADMM CCC(NC(CC)CC)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000255567744 678821216 /nfs/dbraw/zinc/82/12/16/678821216.db2.gz SVHZDFGSJAHIRE-OUKQBFOZSA-N -1 1 325.478 2.328 20 0 EEADMM Cc1cc(C)n(CC(=O)N[N-]C(=O)c2oc3c(cccc3F)c2C)n1 ZINC000052549700 679233468 /nfs/dbraw/zinc/23/34/68/679233468.db2.gz WYOFAXUSYIMWOW-UHFFFAOYSA-N -1 1 344.346 2.155 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1[O-] ZINC001023313713 679246942 /nfs/dbraw/zinc/24/69/42/679246942.db2.gz ALROGIWIYZNKDP-CQSZACIVSA-N -1 1 346.406 2.205 20 0 EEADMM O=C(NC[C@@H]1CCCCN1Cc1ccc(F)cn1)c1ncccc1[O-] ZINC001024407989 679891855 /nfs/dbraw/zinc/89/18/55/679891855.db2.gz UDUUUGRZWKVGNN-HNNXBMFYSA-N -1 1 344.390 2.106 20 0 EEADMM CC(C)c1cnc(CN2CC[C@H](CNC(=O)c3ncccc3[O-])C2)o1 ZINC001028497934 681647550 /nfs/dbraw/zinc/64/75/50/681647550.db2.gz BHNWTXCFJYFHQL-CYBMUJFWSA-N -1 1 344.415 2.151 20 0 EEADMM CCC(CC)C(=O)N1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC000937245912 681956876 /nfs/dbraw/zinc/95/68/76/681956876.db2.gz FERBKFORXKUXDT-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM CC1(CC(=O)N2CCCC[C@@H]2[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001025253458 682341712 /nfs/dbraw/zinc/34/17/12/682341712.db2.gz VSJNUXXLEDVLPF-ZIAGYGMSSA-N -1 1 347.463 2.046 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(Cc2cscn2)C1 ZINC001025394545 682666845 /nfs/dbraw/zinc/66/68/45/682666845.db2.gz RHSSVTAKGQCPCL-OLZOCXBDSA-N -1 1 346.456 2.274 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000983993905 683928484 /nfs/dbraw/zinc/92/84/84/683928484.db2.gz MZVYQYJNNZKJKW-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM C[C@@H]1CC(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)C[C@@H](C)C1 ZINC000974057064 684270425 /nfs/dbraw/zinc/27/04/25/684270425.db2.gz WQOFAJQFMGECNA-NZBPQXDJSA-N -1 1 345.443 2.237 20 0 EEADMM CC1CCC(C)(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000974057203 684270765 /nfs/dbraw/zinc/27/07/65/684270765.db2.gz ZAJJTVPLUMSYRK-LHYKLLTFSA-N -1 1 345.443 2.381 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CC1)OCCO2 ZINC000895622248 684667116 /nfs/dbraw/zinc/66/71/16/684667116.db2.gz BLLFVDAGTXXDOW-UHFFFAOYSA-N -1 1 329.352 2.230 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CCCCC1 ZINC001059514944 686269907 /nfs/dbraw/zinc/26/99/07/686269907.db2.gz NOODGQZDMMQFPA-CQSZACIVSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(C[C@H]1C=CCC1)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975228309 686321467 /nfs/dbraw/zinc/32/14/67/686321467.db2.gz VHZFTLHBHLBPTI-GJZGRUSLSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897299276 686645186 /nfs/dbraw/zinc/64/51/86/686645186.db2.gz CCYMURJTVBLJSP-BFUOFWGJSA-N -1 1 343.379 2.319 20 0 EEADMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000866922337 686670372 /nfs/dbraw/zinc/67/03/72/686670372.db2.gz BBGDUXUQSHQTAU-ZWNOBZJWSA-N -1 1 334.388 2.089 20 0 EEADMM Cc1nc(CN(C)C[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cs1 ZINC001029713768 686900822 /nfs/dbraw/zinc/90/08/22/686900822.db2.gz QQWLWCYGQBMSGB-ZDUSSCGKSA-N -1 1 346.456 2.146 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-])c1cccs1 ZINC000976209629 687442686 /nfs/dbraw/zinc/44/26/86/687442686.db2.gz NEDHTEPRLNEXBO-VXGBXAGGSA-N -1 1 345.424 2.320 20 0 EEADMM O=C(NC[C@H]1CCCCN1c1cncc(Cl)n1)c1ncccc1[O-] ZINC001060135263 694113351 /nfs/dbraw/zinc/11/33/51/694113351.db2.gz BNIUICMVLNXQEM-LLVKDONJSA-N -1 1 347.806 2.020 20 0 EEADMM CC(C)c1ccsc1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990979162 694139466 /nfs/dbraw/zinc/13/94/66/694139466.db2.gz UAVZILKLPSJKOL-UHFFFAOYSA-N -1 1 345.424 2.227 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001060167667 694221297 /nfs/dbraw/zinc/22/12/97/694221297.db2.gz OWFLKYAFTGHXIE-UONOGXRCSA-N -1 1 345.443 2.192 20 0 EEADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cccc(C#N)c1 ZINC000042775543 694247779 /nfs/dbraw/zinc/24/77/79/694247779.db2.gz GKRXRKLAZIPYKP-UHFFFAOYSA-N -1 1 336.394 2.348 20 0 EEADMM COc1cc(CNCc2cnn(C)c2C(=O)[O-])cc(C(F)(F)F)c1 ZINC000904067363 694281413 /nfs/dbraw/zinc/28/14/13/694281413.db2.gz ANWRPOFAHWFIAW-UHFFFAOYSA-N -1 1 343.305 2.436 20 0 EEADMM Cc1cccc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)c1 ZINC000987672007 689938619 /nfs/dbraw/zinc/93/86/19/689938619.db2.gz NHIPINCPVFEAHL-HIFRSBDPSA-N -1 1 339.395 2.129 20 0 EEADMM 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COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000901865220 1236493318 /nfs/dbraw/zinc/49/33/18/1236493318.db2.gz MPVVGDLGPBVSGP-QGZVFWFLSA-N -1 1 341.379 2.156 20 0 EEADMM Cc1ccc(CN2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c(-c2cnn(C)c2)c1 ZINC000901909663 1236610583 /nfs/dbraw/zinc/61/05/83/1236610583.db2.gz JHMROTXSOOIGQY-CXAGYDPISA-N -1 1 329.400 2.069 20 0 EEADMM C[C@@H]1CCc2n[nH]c(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)c2C1 ZINC000902011026 1236845139 /nfs/dbraw/zinc/84/51/39/1236845139.db2.gz JIEUFRAFJPIXPM-CWTRNNRKSA-N -1 1 341.411 2.307 20 0 EEADMM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000902201451 1237205004 /nfs/dbraw/zinc/20/50/04/1237205004.db2.gz MZKIJCASQCGHPR-KGLIPLIRSA-N -1 1 334.416 2.029 20 0 EEADMM CC/C=C(/C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056278359 1239124994 /nfs/dbraw/zinc/12/49/94/1239124994.db2.gz GHMNIZLTSHLNNB-CGHRZIEDSA-N -1 1 343.427 2.349 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056278363 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20 0 EEADMM CC/C(C)=C\C(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001050532333 1243795798 /nfs/dbraw/zinc/79/57/98/1243795798.db2.gz YHRGIAUHZQWFHL-XQPOUDKPSA-N -1 1 331.416 2.110 20 0 EEADMM Cc1cc(N2CCCCC[C@H]2CNC(=O)c2ncccc2[O-])ncn1 ZINC001068010209 1250194716 /nfs/dbraw/zinc/19/47/16/1250194716.db2.gz YSMBLZZJVXDPCK-AWEZNQCLSA-N -1 1 341.415 2.065 20 0 EEADMM CN(CCNc1ncnc2ccc(F)cc21)C(=O)c1ncccc1[O-] ZINC001101561469 1245963519 /nfs/dbraw/zinc/96/35/19/1245963519.db2.gz ZVWJEJYIKQDVSX-UHFFFAOYSA-N -1 1 341.346 2.054 20 0 EEADMM C[C@@H](Nc1ncccn1)[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC001058007030 1248254322 /nfs/dbraw/zinc/25/43/22/1248254322.db2.gz OWFQFNKQEWHAEM-OLZOCXBDSA-N -1 1 327.388 2.073 20 0 EEADMM Nc1ccc(N(C(=O)c2ccc([O-])cc2F)[C@H]2CC[C@H](O)CC2)nc1 ZINC001186318619 1279036873 /nfs/dbraw/zinc/03/68/73/1279036873.db2.gz NBYXTFZWSDUSSK-JOCQHMNTSA-N -1 1 345.374 2.459 20 0 EEADMM CCCS(=O)(=O)CCN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000851707983 1277721740 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CN(CCC(=O)OC(C)(C)C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609274379 1351918039 /nfs/dbraw/zinc/91/80/39/1351918039.db2.gz ITHGIPRDELRAEN-UHFFFAOYSA-N -1 1 344.828 2.145 20 0 EEADMM COC(=O)c1oc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)o2)cc1C ZINC001609307327 1351925863 /nfs/dbraw/zinc/92/58/63/1351925863.db2.gz WUZSKURPKIPAKW-QMMMGPOBSA-N -1 1 346.299 2.066 20 0 EEADMM CSc1ccc(OCCn2ccc(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC001609372794 1351950813 /nfs/dbraw/zinc/95/08/13/1351950813.db2.gz IQFFTPXFVVPLMJ-UHFFFAOYSA-N -1 1 343.412 2.138 20 0 EEADMM CSc1ccc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)nc1 ZINC001609372725 1351950958 /nfs/dbraw/zinc/95/09/58/1351950958.db2.gz DTPXBAKPXSTBFB-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM CSc1ccc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)nc1 ZINC001609372725 1351950960 /nfs/dbraw/zinc/95/09/60/1351950960.db2.gz DTPXBAKPXSTBFB-UHFFFAOYSA-N -1 1 330.348 2.375 20 0 EEADMM Cc1ccc(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001609422446 1351970598 /nfs/dbraw/zinc/97/05/98/1351970598.db2.gz WNMSPHQYQODARN-UHFFFAOYSA-N -1 1 334.792 2.466 20 0 EEADMM Cc1ccccc1OCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC001609436601 1351975835 /nfs/dbraw/zinc/97/58/35/1351975835.db2.gz BSHQYZGKEIZUDS-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001609435855 1351975899 /nfs/dbraw/zinc/97/58/99/1351975899.db2.gz MLRSKTZTBNFXDL-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1ccccc1CC(C)(C)NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001609435855 1351975902 /nfs/dbraw/zinc/97/59/02/1351975902.db2.gz MLRSKTZTBNFXDL-UHFFFAOYSA-N -1 1 336.399 2.321 20 0 EEADMM Cc1cccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001609431939 1351974269 /nfs/dbraw/zinc/97/42/69/1351974269.db2.gz SWZVQJDXHZVIMY-UHFFFAOYSA-N -1 1 349.354 2.265 20 0 EEADMM Cc1nsc(Nc2ccc3c(c2)CCC(=O)N3C)c1-c1nn[n-]n1 ZINC001609466375 1351987916 /nfs/dbraw/zinc/98/79/16/1351987916.db2.gz RBVGGBSTBBLARF-UHFFFAOYSA-N -1 1 341.400 2.284 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609469038 1351989374 /nfs/dbraw/zinc/98/93/74/1351989374.db2.gz MTKXROMKIHARSE-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cc1oc(C(C)C)nc1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609469038 1351989377 /nfs/dbraw/zinc/98/93/77/1351989377.db2.gz MTKXROMKIHARSE-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Clc1nsc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1-c1nnn[n-]1 ZINC001609474817 1351991872 /nfs/dbraw/zinc/99/18/72/1351991872.db2.gz VJSTUVCYWYPEKI-TVQRCGJNSA-N -1 1 338.824 2.124 20 0 EEADMM Clc1nsc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1-c1nn[n-]n1 ZINC001609474817 1351991877 /nfs/dbraw/zinc/99/18/77/1351991877.db2.gz VJSTUVCYWYPEKI-TVQRCGJNSA-N -1 1 338.824 2.124 20 0 EEADMM Clc1nsc(N2CCC([C@H]3CCCO3)CC2)c1-c1nnn[n-]1 ZINC001609474686 1351991883 /nfs/dbraw/zinc/99/18/83/1351991883.db2.gz NHKRVQQYHVBWFU-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Clc1nsc(N2CCC([C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001609474686 1351991885 /nfs/dbraw/zinc/99/18/85/1351991885.db2.gz NHKRVQQYHVBWFU-SECBINFHSA-N -1 1 340.840 2.372 20 0 EEADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609481626 1351993329 /nfs/dbraw/zinc/99/33/29/1351993329.db2.gz GEZWITRAPCVFPH-UHFFFAOYSA-N -1 1 341.375 2.493 20 0 EEADMM O=C(Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCC2)C1CCCCCC1 ZINC001609537614 1352008514 /nfs/dbraw/zinc/00/85/14/1352008514.db2.gz GGJTYHCLHRLMGB-UHFFFAOYSA-N -1 1 341.415 2.057 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001609574030 1352021822 /nfs/dbraw/zinc/02/18/22/1352021822.db2.gz CQJQMGGVYJYZDO-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCCCOC1CCCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001609574030 1352021826 /nfs/dbraw/zinc/02/18/26/1352021826.db2.gz CQJQMGGVYJYZDO-UHFFFAOYSA-N -1 1 331.376 2.158 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C12CC(C(F)(F)F)(C1)C2 ZINC001609578523 1352024328 /nfs/dbraw/zinc/02/43/28/1352024328.db2.gz MPCJLRDRZQLTSK-UHFFFAOYSA-N -1 1 345.306 2.099 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C12CC(C(F)(F)F)(C1)C2 ZINC001609578523 1352024331 /nfs/dbraw/zinc/02/43/31/1352024331.db2.gz MPCJLRDRZQLTSK-UHFFFAOYSA-N -1 1 345.306 2.099 20 0 EEADMM O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001609608481 1352035929 /nfs/dbraw/zinc/03/59/29/1352035929.db2.gz MHIUCZFRQVFLLT-BDAKNGLRSA-N -1 1 334.792 2.047 20 0 EEADMM CC(C)[C@H](NC(=O)CN1CCC(COc2ccccc2)CC1)C(=O)[O-] ZINC001609716370 1352067221 /nfs/dbraw/zinc/06/72/21/1352067221.db2.gz GILQZHUWZCAEMK-SFHVURJKSA-N -1 1 348.443 2.003 20 0 EEADMM C[C@H](Cn1ncc2ccccc2c1=O)N[C@H](C)c1cc(C(=O)[O-])co1 ZINC001609752975 1352076711 /nfs/dbraw/zinc/07/67/11/1352076711.db2.gz ZBIZGOACNPEQNI-VXGBXAGGSA-N -1 1 341.367 2.427 20 0 EEADMM Cc1cccnc1[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC001337501045 1336709231 /nfs/dbraw/zinc/70/92/31/1336709231.db2.gz SJTDYYYAOMUUML-GFCCVEGCSA-N -1 1 339.399 2.175 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(CN2C[C@H](c3ccccc3F)CC2=O)C1 ZINC001609811711 1352091042 /nfs/dbraw/zinc/09/10/42/1352091042.db2.gz SWSGMTVNPXPHFX-ACJLOTCBSA-N -1 1 334.391 2.286 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2)C1 ZINC001609877468 1352109516 /nfs/dbraw/zinc/10/95/16/1352109516.db2.gz QQZUKRUZVSEBLH-YGRLFVJLSA-N -1 1 329.356 2.178 20 0 EEADMM CC[C@H](NC[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC001609931600 1352122874 /nfs/dbraw/zinc/12/28/74/1352122874.db2.gz DAKXWYOYGRORPS-OCCSQVGLSA-N -1 1 336.413 2.322 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](C)N(C)c1ccccc1 ZINC001346281041 1337482140 /nfs/dbraw/zinc/48/21/40/1337482140.db2.gz WTTFPMDDCHCFCV-JTQLQIEISA-N -1 1 332.429 2.034 20 0 EEADMM CCN1C[C@@H](C)N(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)C[C@H]1C ZINC001610005040 1352138716 /nfs/dbraw/zinc/13/87/16/1352138716.db2.gz XDQJCJORCNVZDJ-CHWSQXEVSA-N -1 1 343.427 2.463 20 0 EEADMM CCOC[C@H](NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C(C)C ZINC001610034803 1352146512 /nfs/dbraw/zinc/14/65/12/1352146512.db2.gz UZCBAKNNALWKLM-AWEZNQCLSA-N -1 1 333.388 2.184 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)NOC1CCCC1 ZINC000847349165 1337966560 /nfs/dbraw/zinc/96/65/60/1337966560.db2.gz UTKOCPIAHVABNZ-MWLCHTKSSA-N -1 1 337.342 2.102 20 0 EEADMM CN(CCNC(=O)c1ncccc1[O-])c1nc(C2CCCC2)ns1 ZINC001100070934 1337978389 /nfs/dbraw/zinc/97/83/89/1337978389.db2.gz JTHUTLWUNKMMBM-UHFFFAOYSA-N -1 1 347.444 2.163 20 0 EEADMM COCCN1[C@H](C)CN(c2nc(Cl)c(C(=O)[O-])s2)C[C@@H]1C ZINC001610261671 1352195923 /nfs/dbraw/zinc/19/59/23/1352195923.db2.gz MNTJFTDBVXLRLK-DTORHVGOSA-N -1 1 333.841 2.040 20 0 EEADMM Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@H](C(=O)[O-])[C@@H]3C)c2C)no1 ZINC001610429858 1352221298 /nfs/dbraw/zinc/22/12/98/1352221298.db2.gz IXMWYSQDOHJDFT-JSGCOSHPSA-N -1 1 345.399 2.368 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])n2)cc(C)c1F ZINC001610478115 1352229553 /nfs/dbraw/zinc/22/95/53/1352229553.db2.gz LXHCOYHCBFBQAL-UHFFFAOYSA-N -1 1 338.360 2.265 20 0 EEADMM Cc1noc(C2(C)CCN(Cc3cc(C(=O)[O-])c(C)n3C)CC2)n1 ZINC001610576722 1352248027 /nfs/dbraw/zinc/24/80/27/1352248027.db2.gz GBGXVTWPMVTASM-UHFFFAOYSA-N -1 1 332.404 2.277 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cccc(Cl)c2o1 ZINC001610701930 1352261590 /nfs/dbraw/zinc/26/15/90/1352261590.db2.gz YDFNZBKVMQUZRS-NSHDSACASA-N -1 1 333.731 2.235 20 0 EEADMM O=C([O-])[C@@H](NCc1cccc2c1OCCCO2)c1cccc(O)c1 ZINC001610720288 1352264656 /nfs/dbraw/zinc/26/46/56/1352264656.db2.gz IKYMYOXQUSPKBF-INIZCTEOSA-N -1 1 329.352 2.469 20 0 EEADMM O=C([O-])[C@H]1CSCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC001610748874 1352268200 /nfs/dbraw/zinc/26/82/00/1352268200.db2.gz MWDVMNWQEXYNKD-SNVBAGLBSA-N -1 1 325.821 2.237 20 0 EEADMM O=C([O-])[C@H]1CSCCN(Cc2c(Cl)nc3ccccn32)C1 ZINC001610748874 1352268201 /nfs/dbraw/zinc/26/82/01/1352268201.db2.gz MWDVMNWQEXYNKD-SNVBAGLBSA-N -1 1 325.821 2.237 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001610765138 1352270796 /nfs/dbraw/zinc/27/07/96/1352270796.db2.gz IYPLKUHPHUJFDS-KBPBESRZSA-N -1 1 342.461 2.032 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)C1C=CC=CC=C1 ZINC001428599039 1339592191 /nfs/dbraw/zinc/59/21/91/1339592191.db2.gz YXYMJHPWSAQCTB-KGLIPLIRSA-N -1 1 341.411 2.099 20 0 EEADMM CC1(C)CCC[C@@H]1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001429956239 1340068169 /nfs/dbraw/zinc/06/81/69/1340068169.db2.gz RIGPAQIAANTQTD-KGLIPLIRSA-N -1 1 345.443 2.238 20 0 EEADMM CC[C@@H](C)C(=O)N(C)C[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001430116122 1340130337 /nfs/dbraw/zinc/13/03/37/1340130337.db2.gz PJJLUTQLIKPQNE-KGLIPLIRSA-N -1 1 333.432 2.144 20 0 EEADMM CC1(C)C(C(=O)N(CCNC(=O)c2ncccc2[O-])C2CC2)C1(C)C ZINC001431869403 1340771711 /nfs/dbraw/zinc/77/17/11/1340771711.db2.gz MJCXKHXULZJGMH-UHFFFAOYSA-N -1 1 345.443 2.190 20 0 EEADMM O=c1nc(N[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2)nc2[nH][n-]cc1-2 ZINC001553850177 1342375223 /nfs/dbraw/zinc/37/52/23/1342375223.db2.gz IVRBZLANXUBSJV-CHWSQXEVSA-N -1 1 345.790 2.418 20 0 EEADMM CN(CCO)Cc1cc(NCc2c[nH]c(C(=O)[O-])c2)ccc1Cl ZINC001574559439 1343684713 /nfs/dbraw/zinc/68/47/13/1343684713.db2.gz AQUXPGDPKGXKSI-UHFFFAOYSA-N -1 1 337.807 2.403 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001576398262 1344009419 /nfs/dbraw/zinc/00/94/19/1344009419.db2.gz FUKSKNRFSBLPEH-PELKAZGASA-N -1 1 327.369 2.180 20 0 EEADMM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001576398262 1344009420 /nfs/dbraw/zinc/00/94/20/1344009420.db2.gz FUKSKNRFSBLPEH-PELKAZGASA-N -1 1 327.369 2.180 20 0 EEADMM CCCCC(=O)NC[C@@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577416437 1344144812 /nfs/dbraw/zinc/14/48/12/1344144812.db2.gz GYVUPMYHXQMZRX-SNVBAGLBSA-N -1 1 337.453 2.129 20 0 EEADMM CCSCc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001578416932 1344275849 /nfs/dbraw/zinc/27/58/49/1344275849.db2.gz CUMUMDFLPGEDIM-UHFFFAOYSA-N -1 1 329.389 2.095 20 0 EEADMM CCSCc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001578416932 1344275854 /nfs/dbraw/zinc/27/58/54/1344275854.db2.gz CUMUMDFLPGEDIM-UHFFFAOYSA-N -1 1 329.389 2.095 20 0 EEADMM CCSc1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC001578417425 1344276503 /nfs/dbraw/zinc/27/65/03/1344276503.db2.gz KPIZHULKCACDAA-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM CCSc1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)cc1 ZINC001578417425 1344276508 /nfs/dbraw/zinc/27/65/08/1344276508.db2.gz KPIZHULKCACDAA-UHFFFAOYSA-N -1 1 340.412 2.304 20 0 EEADMM COc1cc(Cl)ccc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001579929305 1344434110 /nfs/dbraw/zinc/43/41/10/1344434110.db2.gz CYQKKBLCLWNHHJ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cc(Cl)ccc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001579929305 1344434112 /nfs/dbraw/zinc/43/41/12/1344434112.db2.gz CYQKKBLCLWNHHJ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ncc(NC(=O)N[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001580135810 1344479364 /nfs/dbraw/zinc/47/93/64/1344479364.db2.gz BQQNWFCYHUHRRB-SNVBAGLBSA-N -1 1 339.359 2.153 20 0 EEADMM COc1ncc(NC(=O)N[C@@H]2CC23CCCCC3)cc1-c1nn[n-]n1 ZINC001580137384 1344480011 /nfs/dbraw/zinc/48/00/11/1344480011.db2.gz YGTLWTHAUVNJIE-GFCCVEGCSA-N -1 1 343.391 2.115 20 0 EEADMM C[C@@H]1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C(F)(F)F)C1 ZINC001580315670 1344509902 /nfs/dbraw/zinc/50/99/02/1344509902.db2.gz VGZXKIBLVFDHTO-XCBNKYQSSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C(F)(F)F)C1 ZINC001580315670 1344509906 /nfs/dbraw/zinc/50/99/06/1344509906.db2.gz VGZXKIBLVFDHTO-XCBNKYQSSA-N -1 1 329.282 2.263 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccsc1-c1nnn[n-]1 ZINC001582263598 1344721180 /nfs/dbraw/zinc/72/11/80/1344721180.db2.gz YPIADSYUMWQQMC-IAQYHMDHSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)c1ccsc1-c1nn[n-]n1 ZINC001582263598 1344721187 /nfs/dbraw/zinc/72/11/87/1344721187.db2.gz YPIADSYUMWQQMC-IAQYHMDHSA-N -1 1 329.360 2.295 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccsc1-c1nnn[n-]1 ZINC001582328685 1344733189 /nfs/dbraw/zinc/73/31/89/1344733189.db2.gz XRHLEHCJCXSZFN-NSHDSACASA-N -1 1 327.369 2.051 20 0 EEADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccsc1-c1nn[n-]n1 ZINC001582328685 1344733192 /nfs/dbraw/zinc/73/31/92/1344733192.db2.gz XRHLEHCJCXSZFN-NSHDSACASA-N -1 1 327.369 2.051 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Cl)c1csc(-c2nn[n-]n2)c1 ZINC001582381507 1344746869 /nfs/dbraw/zinc/74/68/69/1344746869.db2.gz LFGOAIMIUHAYJJ-LLVKDONJSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NCc1cc2ccccc2o1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582545112 1344759980 /nfs/dbraw/zinc/75/99/80/1344759980.db2.gz CASVUCZIJNHIQW-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM O=C(NCc1cc2ccccc2o1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582545112 1344759982 /nfs/dbraw/zinc/75/99/82/1344759982.db2.gz CASVUCZIJNHIQW-UHFFFAOYSA-N -1 1 335.327 2.330 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccsc1Cl)CCC2 ZINC001582806487 1344794390 /nfs/dbraw/zinc/79/43/90/1344794390.db2.gz KZVOUJNAADDCHK-UHFFFAOYSA-N -1 1 333.804 2.280 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1 ZINC001588766557 1348933143 /nfs/dbraw/zinc/93/31/43/1348933143.db2.gz SZYDEDMLBZKLBR-UITAMQMPSA-N -1 1 344.375 2.182 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1 ZINC001588766557 1348933145 /nfs/dbraw/zinc/93/31/45/1348933145.db2.gz SZYDEDMLBZKLBR-UITAMQMPSA-N -1 1 344.375 2.182 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001589201636 1348970058 /nfs/dbraw/zinc/97/00/58/1348970058.db2.gz MZIHDEHTEFTAPZ-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(C)Oc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001589201636 1348970060 /nfs/dbraw/zinc/97/00/60/1348970060.db2.gz MZIHDEHTEFTAPZ-UHFFFAOYSA-N -1 1 339.403 2.489 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1=CCOCC1 ZINC001589283452 1348978638 /nfs/dbraw/zinc/97/86/38/1348978638.db2.gz SJBTXMIGYVPPCD-UHFFFAOYSA-N -1 1 333.417 2.031 20 0 EEADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1=CCOCC1 ZINC001589283452 1348978640 /nfs/dbraw/zinc/97/86/40/1348978640.db2.gz SJBTXMIGYVPPCD-UHFFFAOYSA-N -1 1 333.417 2.031 20 0 EEADMM CC(C)[C@H]1CCCN(c2nnc(-c3coc(-c4nnn[n-]4)c3)n2C)C1 ZINC001589508725 1348997975 /nfs/dbraw/zinc/99/79/75/1348997975.db2.gz GPXTYSNSVXWCHT-NSHDSACASA-N -1 1 342.407 2.128 20 0 EEADMM CC(C)[C@H]1CCCN(c2nnc(-c3coc(-c4nn[n-]n4)c3)n2C)C1 ZINC001589508725 1348997978 /nfs/dbraw/zinc/99/79/78/1348997978.db2.gz GPXTYSNSVXWCHT-NSHDSACASA-N -1 1 342.407 2.128 20 0 EEADMM C[C@@H](NS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1ccsc1 ZINC001589975015 1349087149 /nfs/dbraw/zinc/08/71/49/1349087149.db2.gz ASYHDBMFHZKELR-SSDOTTSWSA-N -1 1 341.443 2.029 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)[C@@H]2CCO[C@@H]21 ZINC001590076551 1349140213 /nfs/dbraw/zinc/14/02/13/1349140213.db2.gz FIFIGFAGWNHCSY-ARDNSNSESA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)[C@@H]2CCO[C@@H]21 ZINC001590076551 1349140221 /nfs/dbraw/zinc/14/02/21/1349140221.db2.gz FIFIGFAGWNHCSY-ARDNSNSESA-N -1 1 326.813 2.202 20 0 EEADMM CC1(C)CO[C@@H](CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590112266 1349159699 /nfs/dbraw/zinc/15/96/99/1349159699.db2.gz FCRCGBBPKNNWKW-LURJTMIESA-N -1 1 342.812 2.120 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590141790 1349172941 /nfs/dbraw/zinc/17/29/41/1349172941.db2.gz NWIFAIHKGGUUEJ-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@@]1(Cc2cccs2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590141790 1349172952 /nfs/dbraw/zinc/17/29/52/1349172952.db2.gz NWIFAIHKGGUUEJ-HNNXBMFYSA-N -1 1 327.417 2.320 20 0 EEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590167409 1349182458 /nfs/dbraw/zinc/18/24/58/1349182458.db2.gz FEJLJKGPRWVRDJ-ZFWWWQNUSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590167409 1349182465 /nfs/dbraw/zinc/18/24/65/1349182465.db2.gz FEJLJKGPRWVRDJ-ZFWWWQNUSA-N -1 1 348.410 2.355 20 0 EEADMM CC1CCC(O)(CNc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001590238291 1349218235 /nfs/dbraw/zinc/21/82/35/1349218235.db2.gz CZFBKSBVFMVDOB-UHFFFAOYSA-N -1 1 328.829 2.330 20 0 EEADMM C[C@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274435 1349242853 /nfs/dbraw/zinc/24/28/53/1349242853.db2.gz KOJXKYXGNKKHOJ-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274435 1349242855 /nfs/dbraw/zinc/24/28/55/1349242855.db2.gz KOJXKYXGNKKHOJ-NWDGAFQWSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001590282351 1349246597 /nfs/dbraw/zinc/24/65/97/1349246597.db2.gz PPGJQXVPXRETAY-GFCCVEGCSA-N -1 1 334.383 2.172 20 0 EEADMM C[C@@H]1CCc2ccccc2N1C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001590282351 1349246602 /nfs/dbraw/zinc/24/66/02/1349246602.db2.gz PPGJQXVPXRETAY-GFCCVEGCSA-N -1 1 334.383 2.172 20 0 EEADMM C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590339176 1349275270 /nfs/dbraw/zinc/27/52/70/1349275270.db2.gz WCACKLLGTRJADO-QMMMGPOBSA-N -1 1 332.751 2.132 20 0 EEADMM C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590339176 1349275277 /nfs/dbraw/zinc/27/52/77/1349275277.db2.gz WCACKLLGTRJADO-QMMMGPOBSA-N -1 1 332.751 2.132 20 0 EEADMM CC[C@H](C)C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(=O)OC ZINC001590404635 1349306583 /nfs/dbraw/zinc/30/65/83/1349306583.db2.gz OGEJOBUKEXLYAG-NKWVEPMBSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@H](C)N(CC)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590411087 1349311737 /nfs/dbraw/zinc/31/17/37/1349311737.db2.gz BBXNNVKDOMQMEF-JTQLQIEISA-N -1 1 330.396 2.363 20 0 EEADMM CC[C@H](C)N(CC)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590411087 1349311742 /nfs/dbraw/zinc/31/17/42/1349311742.db2.gz BBXNNVKDOMQMEF-JTQLQIEISA-N -1 1 330.396 2.363 20 0 EEADMM CCC(CC)Oc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001590435855 1349324668 /nfs/dbraw/zinc/32/46/68/1349324668.db2.gz NTTNBXRCIOEAGP-UHFFFAOYSA-N -1 1 341.375 2.410 20 0 EEADMM CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590526814 1349363327 /nfs/dbraw/zinc/36/33/27/1349363327.db2.gz UOHKXWUEKPQAJE-INIZCTEOSA-N -1 1 334.383 2.411 20 0 EEADMM CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590526814 1349363331 /nfs/dbraw/zinc/36/33/31/1349363331.db2.gz UOHKXWUEKPQAJE-INIZCTEOSA-N -1 1 334.383 2.411 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590526815 1349364438 /nfs/dbraw/zinc/36/44/38/1349364438.db2.gz UOHKXWUEKPQAJE-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590526815 1349364448 /nfs/dbraw/zinc/36/44/48/1349364448.db2.gz UOHKXWUEKPQAJE-MRXNPFEDSA-N -1 1 334.383 2.411 20 0 EEADMM CCc1nn(Cc2ccc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929697 1349415708 /nfs/dbraw/zinc/41/57/08/1349415708.db2.gz MWYHFUXWAWOTKW-UHFFFAOYSA-N -1 1 338.415 2.213 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001591034950 1349433943 /nfs/dbraw/zinc/43/39/43/1349433943.db2.gz UCLDLQOCZYVQFV-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001591034950 1349433946 /nfs/dbraw/zinc/43/39/46/1349433946.db2.gz UCLDLQOCZYVQFV-HNNXBMFYSA-N -1 1 336.403 2.064 20 0 EEADMM COC[C@@H](Nc1cc(-c2nnn[n-]2)nc(C)n1)c1ccc(F)c(F)c1 ZINC001591382860 1349478744 /nfs/dbraw/zinc/47/87/44/1349478744.db2.gz PEXBSMVGZBSUGE-CYBMUJFWSA-N -1 1 347.329 2.043 20 0 EEADMM COC[C@@H](Nc1cc(-c2nn[n-]n2)nc(C)n1)c1ccc(F)c(F)c1 ZINC001591382860 1349478749 /nfs/dbraw/zinc/47/87/49/1349478749.db2.gz PEXBSMVGZBSUGE-CYBMUJFWSA-N -1 1 347.329 2.043 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1cnc(-c2nnn[n-]2)cn1 ZINC001591625755 1349518030 /nfs/dbraw/zinc/51/80/30/1349518030.db2.gz ACENDYKRSSZKTH-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM COc1ccc2c(c1)CCC[C@@H]2CNc1cnc(-c2nn[n-]n2)cn1 ZINC001591625755 1349518037 /nfs/dbraw/zinc/51/80/37/1349518037.db2.gz ACENDYKRSSZKTH-GFCCVEGCSA-N -1 1 337.387 2.197 20 0 EEADMM Cc1cc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)nn1C(C)C ZINC001592030175 1349584900 /nfs/dbraw/zinc/58/49/00/1349584900.db2.gz KQQLKPSVKMMJCM-UHFFFAOYSA-N -1 1 347.329 2.483 20 0 EEADMM Cc1cc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)nn1C(C)C ZINC001592030175 1349584905 /nfs/dbraw/zinc/58/49/05/1349584905.db2.gz KQQLKPSVKMMJCM-UHFFFAOYSA-N -1 1 347.329 2.483 20 0 EEADMM Cc1ccc(-c2nc(Cn3ccn4ncc(-c5nn[n-]n5)c34)co2)cc1 ZINC001592074182 1349589085 /nfs/dbraw/zinc/58/90/85/1349589085.db2.gz YLGKYMTTXTVXBE-UHFFFAOYSA-N -1 1 346.354 2.328 20 0 EEADMM Cc1ccc(-c2ccc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)s2)o1 ZINC001592074096 1349589171 /nfs/dbraw/zinc/58/91/71/1349589171.db2.gz ZJGJZACXYHXYAJ-UHFFFAOYSA-N -1 1 341.356 2.472 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCC(F)=C(F)F ZINC001592203371 1349607626 /nfs/dbraw/zinc/60/76/26/1349607626.db2.gz XGUIRNRFTDASFP-UHFFFAOYSA-N -1 1 336.277 2.353 20 0 EEADMM Cc1ccnn1-c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592279500 1349616156 /nfs/dbraw/zinc/61/61/56/1349616156.db2.gz ZWQOWUNLNGRULT-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1ncc(C=CC(=O)Nc2snc(C)c2-c2nnn[n-]2)s1 ZINC001592408710 1349628174 /nfs/dbraw/zinc/62/81/74/1349628174.db2.gz ZLNXAWAEAZVNAO-ARJAWSKDSA-N -1 1 333.402 2.048 20 0 EEADMM Cc1ncc(C=CC(=O)Nc2snc(C)c2-c2nn[n-]n2)s1 ZINC001592408710 1349628183 /nfs/dbraw/zinc/62/81/83/1349628183.db2.gz ZLNXAWAEAZVNAO-ARJAWSKDSA-N -1 1 333.402 2.048 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC001592517161 1349644532 /nfs/dbraw/zinc/64/45/32/1349644532.db2.gz WZRWEPSHJANRHL-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Cc1onc(CC(=O)Nc2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC001592517161 1349644534 /nfs/dbraw/zinc/64/45/34/1349644534.db2.gz WZRWEPSHJANRHL-UHFFFAOYSA-N -1 1 342.359 2.132 20 0 EEADMM Clc1ccccc1-n1cc(Nc2ncncc2-c2nn[n-]n2)cn1 ZINC001592536498 1349651325 /nfs/dbraw/zinc/65/13/25/1349651325.db2.gz WOBLUUDQBUVEFS-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1sc(N2CCC[C@H](n3ccnc3)C2)nc1-c1nn[n-]n1 ZINC001592541688 1349654315 /nfs/dbraw/zinc/65/43/15/1349654315.db2.gz KEDODPQWMFLRLY-QMMMGPOBSA-N -1 1 336.812 2.015 20 0 EEADMM FC(F)(F)[C@H]1CCN(c2ncncc2-c2nn[n-]n2)CC12CCC2 ZINC001592615732 1349672219 /nfs/dbraw/zinc/67/22/19/1349672219.db2.gz LQFOBOOIXOUNHJ-JTQLQIEISA-N -1 1 339.325 2.216 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001592618479 1349673645 /nfs/dbraw/zinc/67/36/45/1349673645.db2.gz VDHQZLBQZXBBHU-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)Oc1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001592618479 1349673650 /nfs/dbraw/zinc/67/36/50/1349673650.db2.gz VDHQZLBQZXBBHU-UHFFFAOYSA-N -1 1 337.265 2.167 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N[C@@H]2CCCOCC2)c1 ZINC001592622454 1349676593 /nfs/dbraw/zinc/67/65/93/1349676593.db2.gz IYJZZWWMISWIEJ-SECBINFHSA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N[C@@H]2CCCOCC2)c1 ZINC001592622454 1349676595 /nfs/dbraw/zinc/67/65/95/1349676595.db2.gz IYJZZWWMISWIEJ-SECBINFHSA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)CC1CN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)C1 ZINC001592624287 1349677479 /nfs/dbraw/zinc/67/74/79/1349677479.db2.gz LCKJPVHHSQBNNW-UHFFFAOYSA-N -1 1 334.252 2.372 20 0 EEADMM FC(F)CC1CN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)C1 ZINC001592624287 1349677483 /nfs/dbraw/zinc/67/74/83/1349677483.db2.gz LCKJPVHHSQBNNW-UHFFFAOYSA-N -1 1 334.252 2.372 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2cc(-c3nnn[n-]3)ncn2)C1 ZINC001592631097 1349682087 /nfs/dbraw/zinc/68/20/87/1349682087.db2.gz QNSXMIBNFVGROP-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM F[C@@]1(c2ccccc2)CCCN(c2cc(-c3nn[n-]n3)ncn2)C1 ZINC001592631097 1349682093 /nfs/dbraw/zinc/68/20/93/1349682093.db2.gz QNSXMIBNFVGROP-INIZCTEOSA-N -1 1 325.351 2.122 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2OC1)c1ccc(-c2nnn[n-]2)s1 ZINC001592995877 1349732271 /nfs/dbraw/zinc/73/22/71/1349732271.db2.gz DUMDDSREWVEFNB-NSHDSACASA-N -1 1 341.396 2.052 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2OC1)c1ccc(-c2nn[n-]n2)s1 ZINC001592995877 1349732276 /nfs/dbraw/zinc/73/22/76/1349732276.db2.gz DUMDDSREWVEFNB-NSHDSACASA-N -1 1 341.396 2.052 20 0 EEADMM O=C(NCC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593056549 1349734487 /nfs/dbraw/zinc/73/44/87/1349734487.db2.gz RCHRILYAKLZLKJ-QPJJXVBHSA-N -1 1 340.774 2.358 20 0 EEADMM O=C(NCc1noc2cc(F)ccc12)c1csc(-c2nn[n-]n2)c1 ZINC001593153949 1349742903 /nfs/dbraw/zinc/74/29/03/1349742903.db2.gz ZWUBPJMQAADXOK-UHFFFAOYSA-N -1 1 344.331 2.139 20 0 EEADMM O=C(Nc1cc2oc(=O)[nH]c2cc1F)c1csc(-c2nn[n-]n2)c1 ZINC001593212781 1349747074 /nfs/dbraw/zinc/74/70/74/1349747074.db2.gz QDWBOBWEKSHLHY-UHFFFAOYSA-N -1 1 346.303 2.166 20 0 EEADMM O=C(Nc1nc2c(o1)CCCC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593269035 1349757021 /nfs/dbraw/zinc/75/70/21/1349757021.db2.gz FVGZLIHMRXPEND-UHFFFAOYSA-N -1 1 349.354 2.467 20 0 EEADMM O=C(Nc1nc2c(s1)CCCCC2)c1cccc(-c2nnn[n-]2)n1 ZINC001593269677 1349757569 /nfs/dbraw/zinc/75/75/69/1349757569.db2.gz MCHYGYLYQPEZLO-UHFFFAOYSA-N -1 1 341.400 2.239 20 0 EEADMM O=C(Nc1nc2c(s1)CCCCC2)c1cccc(-c2nn[n-]n2)n1 ZINC001593269677 1349757573 /nfs/dbraw/zinc/75/75/73/1349757573.db2.gz MCHYGYLYQPEZLO-UHFFFAOYSA-N -1 1 341.400 2.239 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCC(CC(F)(F)F)CC1 ZINC001593348409 1349786621 /nfs/dbraw/zinc/78/66/21/1349786621.db2.gz XDTYVJLCDOHBFL-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCC(CC(F)(F)F)CC1 ZINC001593348409 1349786628 /nfs/dbraw/zinc/78/66/28/1349786628.db2.gz XDTYVJLCDOHBFL-UHFFFAOYSA-N -1 1 340.309 2.066 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC001593366778 1349790339 /nfs/dbraw/zinc/79/03/39/1349790339.db2.gz AELACKUVNGHUEK-MRXNPFEDSA-N -1 1 327.319 2.171 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC001593366778 1349790341 /nfs/dbraw/zinc/79/03/41/1349790341.db2.gz AELACKUVNGHUEK-MRXNPFEDSA-N -1 1 327.319 2.171 20 0 EEADMM O=S(=O)(NCCCC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001593438010 1349799608 /nfs/dbraw/zinc/79/96/08/1349799608.db2.gz SKXUXMHOILCXHS-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM O=S(=O)(NCCCC1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC001593438010 1349799613 /nfs/dbraw/zinc/79/96/13/1349799613.db2.gz SKXUXMHOILCXHS-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM O[C@H]1C[C@@H](c2ccccc2)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001593518326 1349829789 /nfs/dbraw/zinc/82/97/89/1349829789.db2.gz WJBSCGLGQOILSC-AAEUAGOBSA-N -1 1 342.790 2.227 20 0 EEADMM O[C@H]1C[C@@H](c2ccccc2)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001593518326 1349829792 /nfs/dbraw/zinc/82/97/92/1349829792.db2.gz WJBSCGLGQOILSC-AAEUAGOBSA-N -1 1 342.790 2.227 20 0 EEADMM c1nc(-c2nn[n-]n2)nn1-c1nc2ccccc2c(-c2ccccc2)n1 ZINC001593567846 1349853902 /nfs/dbraw/zinc/85/39/02/1349853902.db2.gz WEMYBTDMHRSJJK-UHFFFAOYSA-N -1 1 341.338 2.058 20 0 EEADMM c1ccc([C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CCOCC2)cc1 ZINC001593570730 1349855710 /nfs/dbraw/zinc/85/57/10/1349855710.db2.gz IEMZVSZXQKMRMO-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CCOCC2)cc1 ZINC001593570730 1349855715 /nfs/dbraw/zinc/85/57/15/1349855715.db2.gz IEMZVSZXQKMRMO-MRXNPFEDSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc2c(c1)COC[C@H]2Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593580296 1349860512 /nfs/dbraw/zinc/86/05/12/1349860512.db2.gz SCXGCTCBFNAGFY-CQSZACIVSA-N -1 1 335.371 2.218 20 0 EEADMM c1ccc2c(c1)COC[C@H]2Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001593580296 1349860518 /nfs/dbraw/zinc/86/05/18/1349860518.db2.gz SCXGCTCBFNAGFY-CQSZACIVSA-N -1 1 335.371 2.218 20 0 EEADMM COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727248 1349941666 /nfs/dbraw/zinc/94/16/66/1349941666.db2.gz PRNKSQQLKDKYSS-KZULUSFZSA-N -1 1 344.367 2.251 20 0 EEADMM COC(=O)[C@]1(c2ccccc2)CCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001598727248 1349941667 /nfs/dbraw/zinc/94/16/67/1349941667.db2.gz PRNKSQQLKDKYSS-KZULUSFZSA-N -1 1 344.367 2.251 20 0 EEADMM Cc1c(C(=O)[O-])csc1NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC001600004434 1349953170 /nfs/dbraw/zinc/95/31/70/1349953170.db2.gz QQZGLWZPULADSG-UHFFFAOYSA-N -1 1 337.401 2.082 20 0 EEADMM Cc1c(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)n[nH]c1C(F)(F)F ZINC001600007136 1349954053 /nfs/dbraw/zinc/95/40/53/1349954053.db2.gz CRCOMBNJESSPAA-SDBXPKJASA-N -1 1 331.294 2.064 20 0 EEADMM Cc1cc(C(=O)CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c(C)[nH]1 ZINC001600076870 1349966638 /nfs/dbraw/zinc/96/66/38/1349966638.db2.gz QSNNYXBVBXRRHY-DLBZAZTESA-N -1 1 342.395 2.320 20 0 EEADMM Cc1cc(C)c2c(c1)CCN([C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC001600165115 1349983805 /nfs/dbraw/zinc/98/38/05/1349983805.db2.gz RFTBCIFHSWSWDI-OAHLLOKOSA-N -1 1 344.455 2.373 20 0 EEADMM Cc1cc(CN[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)[nH]c1C(=O)[O-] ZINC001600208043 1349993480 /nfs/dbraw/zinc/99/34/80/1349993480.db2.gz ZHXLLCNYBYHXMF-DOMZBBRYSA-N -1 1 327.384 2.305 20 0 EEADMM Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600390185 1350037833 /nfs/dbraw/zinc/03/78/33/1350037833.db2.gz USMHHZLYRPPZTA-HVEKOLDVSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1ccc(CN2CCCN(C(=O)c3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001600413018 1350044446 /nfs/dbraw/zinc/04/44/46/1350044446.db2.gz DONNMZOXEUUGKE-UHFFFAOYSA-N -1 1 341.411 2.369 20 0 EEADMM Cc1ccc(NC(=O)[C@@H](C)N2CCSC[C@H](C(=O)[O-])C2)c(C)c1 ZINC001600443845 1350052967 /nfs/dbraw/zinc/05/29/67/1350052967.db2.gz DLUFYKDLLPTECB-ZIAGYGMSSA-N -1 1 336.457 2.380 20 0 EEADMM Cc1nn(C)c(Cl)c1CN1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC001600772562 1350132945 /nfs/dbraw/zinc/13/29/45/1350132945.db2.gz XLVSHZQGUSWPIG-FPMFFAJLSA-N -1 1 341.839 2.226 20 0 EEADMM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001600827253 1350146144 /nfs/dbraw/zinc/14/61/44/1350146144.db2.gz WTNUPYKDFJVJQC-UHFFFAOYSA-N -1 1 328.328 2.481 20 0 EEADMM Cc1sc([C@H]2CCCN2C[C@@H](O)COC(C)C)nc1C(=O)[O-] ZINC001600882088 1350159165 /nfs/dbraw/zinc/15/91/65/1350159165.db2.gz IWFKQKLEOPUJKN-VXGBXAGGSA-N -1 1 328.434 2.073 20 0 EEADMM Cn1nccc1[C@@H](NCc1ccc(Cl)nc1C(F)(F)F)C(=O)[O-] ZINC001601034669 1350194549 /nfs/dbraw/zinc/19/45/49/1350194549.db2.gz PHWMOPOBJZFZNA-SNVBAGLBSA-N -1 1 348.712 2.403 20 0 EEADMM O=C([O-])c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)nc1 ZINC001601468608 1350290257 /nfs/dbraw/zinc/29/02/57/1350290257.db2.gz OAHPUWDUPAZENN-ZDUSSCGKSA-N -1 1 344.371 2.331 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3c(O)cccc3F)nc2C1 ZINC001601632168 1350324233 /nfs/dbraw/zinc/32/42/33/1350324233.db2.gz VDMGKEXYEMVCNS-SSDOTTSWSA-N -1 1 336.344 2.430 20 0 EEADMM O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC001601809834 1350369644 /nfs/dbraw/zinc/36/96/44/1350369644.db2.gz JGUBEOLXBHYJOA-STQMWFEESA-N -1 1 347.383 2.341 20 0 EEADMM O=C([O-])/C=C/c1ccc(CNC[C@@H]2CS(=O)(=O)c3ccccc32)o1 ZINC001601878429 1350388219 /nfs/dbraw/zinc/38/82/19/1350388219.db2.gz AMMVFRFCZPGDRK-ABZNLYFFSA-N -1 1 347.392 2.038 20 0 EEADMM O=C([O-])CC[N@H+](CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC001602004637 1350416376 /nfs/dbraw/zinc/41/63/76/1350416376.db2.gz JCYZVHNVHKPHDG-UHFFFAOYSA-N -1 1 338.747 2.356 20 0 EEADMM O=C([O-])CC[N@@H+](CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC001602004637 1350416377 /nfs/dbraw/zinc/41/63/77/1350416377.db2.gz JCYZVHNVHKPHDG-UHFFFAOYSA-N -1 1 338.747 2.356 20 0 EEADMM O=C([O-])CCSCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC001602029424 1350421545 /nfs/dbraw/zinc/42/15/45/1350421545.db2.gz KBJSCIHEAIDWDT-UHFFFAOYSA-N -1 1 340.445 2.203 20 0 EEADMM O=C([O-])[C@@H]1CN(Cc2nc(CC3CC3)no2)C[C@H]1c1ccc(O)cc1 ZINC001602189934 1350461667 /nfs/dbraw/zinc/46/16/67/1350461667.db2.gz TWIHDCFBVAHWEB-LSDHHAIUSA-N -1 1 343.383 2.028 20 0 EEADMM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2c(O)cccc2F)C1 ZINC001602195515 1350463076 /nfs/dbraw/zinc/46/30/76/1350463076.db2.gz ZOAPDEYRQQOQQP-SFYZADRCSA-N -1 1 335.253 2.257 20 0 EEADMM O=C([O-])c1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)on1 ZINC001602255994 1350478863 /nfs/dbraw/zinc/47/88/63/1350478863.db2.gz RNEVFDPHZXYJIL-GFCCVEGCSA-N -1 1 345.403 2.070 20 0 EEADMM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc(Cl)c1F ZINC001602280746 1350484916 /nfs/dbraw/zinc/48/49/16/1350484916.db2.gz ZLGYQWUZVMSGJB-ZETCQYMHSA-N -1 1 338.726 2.354 20 0 EEADMM O=C([O-])c1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)c(F)c1 ZINC001602342503 1350499146 /nfs/dbraw/zinc/49/91/46/1350499146.db2.gz HASZBSLIOXDZDW-UHFFFAOYSA-N -1 1 340.314 2.239 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC001602426362 1350516578 /nfs/dbraw/zinc/51/65/78/1350516578.db2.gz UIIGSRGNAVDOBK-INIZCTEOSA-N -1 1 329.400 2.441 20 0 EEADMM O=C([O-])c1ccc2cc(CCNC(=O)c3[nH]nc4c3CCC4)oc2c1 ZINC001602427988 1350516988 /nfs/dbraw/zinc/51/69/88/1350516988.db2.gz JHINNJXTPMRPTA-UHFFFAOYSA-N -1 1 339.351 2.315 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C[C@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001602461456 1350524380 /nfs/dbraw/zinc/52/43/80/1350524380.db2.gz DFQKUPHPTCUBFI-DNVCBOLYSA-N -1 1 347.411 2.307 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)NCC(F)(F)c2ccc(F)cc2)c1 ZINC001602557428 1350545869 /nfs/dbraw/zinc/54/58/69/1350545869.db2.gz WPDAIQRPBDZBKG-UHFFFAOYSA-N -1 1 349.286 2.187 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1ccccc1C ZINC001602951760 1350609829 /nfs/dbraw/zinc/60/98/29/1350609829.db2.gz YPNHVHGITNOPBD-IRVMHKCDSA-N -1 1 330.428 2.406 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1cn(C)c2ccccc12 ZINC001603027911 1350623789 /nfs/dbraw/zinc/62/37/89/1350623789.db2.gz KHZBGPPLELUNBM-LLVKDONJSA-N -1 1 347.382 2.496 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1cn(C)c2ccccc12 ZINC001603027911 1350623791 /nfs/dbraw/zinc/62/37/91/1350623791.db2.gz KHZBGPPLELUNBM-LLVKDONJSA-N -1 1 347.382 2.496 20 0 EEADMM C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001603148756 1350649866 /nfs/dbraw/zinc/64/98/66/1350649866.db2.gz ICDVVDZNIKSVKD-KSRBRMDJSA-N -1 1 328.412 2.005 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001603146855 1350649941 /nfs/dbraw/zinc/64/99/41/1350649941.db2.gz CEJQNDXIRCFSBQ-ZDUSSCGKSA-N -1 1 347.394 2.331 20 0 EEADMM CC(C)(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001603146855 1350649946 /nfs/dbraw/zinc/64/99/46/1350649946.db2.gz CEJQNDXIRCFSBQ-ZDUSSCGKSA-N -1 1 347.394 2.331 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001603185425 1350658843 /nfs/dbraw/zinc/65/88/43/1350658843.db2.gz QOZNQCIKZLVMIH-OCCSQVGLSA-N -1 1 326.404 2.463 20 0 EEADMM CC(C)=C[C@@H]1[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001603185425 1350658848 /nfs/dbraw/zinc/65/88/48/1350658848.db2.gz QOZNQCIKZLVMIH-OCCSQVGLSA-N -1 1 326.404 2.463 20 0 EEADMM CC(C)[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1cccnc1 ZINC001603219562 1350664206 /nfs/dbraw/zinc/66/42/06/1350664206.db2.gz KYRZJMCINAEVFI-ZDUSSCGKSA-N -1 1 326.360 2.024 20 0 EEADMM CC(C)[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1cccnc1 ZINC001603219562 1350664213 /nfs/dbraw/zinc/66/42/13/1350664213.db2.gz KYRZJMCINAEVFI-ZDUSSCGKSA-N -1 1 326.360 2.024 20 0 EEADMM CC(C)[C@H]1C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001603240237 1350668883 /nfs/dbraw/zinc/66/88/83/1350668883.db2.gz ANNGVTLVAPNZOT-ZYHUDNBSSA-N -1 1 336.417 2.423 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccsc1 ZINC001603640209 1350732824 /nfs/dbraw/zinc/73/28/24/1350732824.db2.gz FMFVWCNTAZBMIJ-SSDOTTSWSA-N -1 1 334.792 2.468 20 0 EEADMM CC(C)(NC[C@@H](O)CC[C@H](O)c1ccccc1)c1cc(C(=O)[O-])on1 ZINC001603681325 1350740768 /nfs/dbraw/zinc/74/07/68/1350740768.db2.gz YLEPBKHTHCAZNH-KBPBESRZSA-N -1 1 348.399 2.072 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001603754684 1350758137 /nfs/dbraw/zinc/75/81/37/1350758137.db2.gz FLUYWUVYFRASGC-GFCCVEGCSA-N -1 1 341.297 2.068 20 0 EEADMM C[C@@]1(C(F)(F)F)CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001603754684 1350758140 /nfs/dbraw/zinc/75/81/40/1350758140.db2.gz FLUYWUVYFRASGC-GFCCVEGCSA-N -1 1 341.297 2.068 20 0 EEADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1C(F)(F)F ZINC001603789315 1350768077 /nfs/dbraw/zinc/76/80/77/1350768077.db2.gz KPPQUSFDRBLPKX-MRVPVSSYSA-N -1 1 327.314 2.072 20 0 EEADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1C(F)(F)F ZINC001603789315 1350768082 /nfs/dbraw/zinc/76/80/82/1350768082.db2.gz KPPQUSFDRBLPKX-MRVPVSSYSA-N -1 1 327.314 2.072 20 0 EEADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@]1(F)Cl ZINC001603808150 1350772763 /nfs/dbraw/zinc/77/27/63/1350772763.db2.gz LFORQUWTPJVDHZ-OLZOCXBDSA-N -1 1 328.706 2.477 20 0 EEADMM C[C@]1(COC(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@]1(F)Cl ZINC001603808150 1350772768 /nfs/dbraw/zinc/77/27/68/1350772768.db2.gz LFORQUWTPJVDHZ-OLZOCXBDSA-N -1 1 328.706 2.477 20 0 EEADMM CC(C)C[N@H+]1Cc2cccc(NC(=O)Cn3ccc(C(=O)[O-])n3)c2C1 ZINC001603815974 1350775045 /nfs/dbraw/zinc/77/50/45/1350775045.db2.gz HLHBHEYHZAABDJ-UHFFFAOYSA-N -1 1 342.399 2.192 20 0 EEADMM CC(C)CN1Cc2cccc(NC(=O)Cn3ccc(C(=O)[O-])n3)c2C1 ZINC001603815974 1350775047 /nfs/dbraw/zinc/77/50/47/1350775047.db2.gz HLHBHEYHZAABDJ-UHFFFAOYSA-N -1 1 342.399 2.192 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001603868295 1350787497 /nfs/dbraw/zinc/78/74/97/1350787497.db2.gz UTVZQFFLYFFMAZ-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001603868295 1350787502 /nfs/dbraw/zinc/78/75/02/1350787502.db2.gz UTVZQFFLYFFMAZ-BLLLJJGKSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2cccc(F)c2O1 ZINC001603930096 1350803996 /nfs/dbraw/zinc/80/39/96/1350803996.db2.gz FHWCOVXERRDCRB-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2cccc(F)c2O1 ZINC001603930096 1350804000 /nfs/dbraw/zinc/80/40/00/1350804000.db2.gz FHWCOVXERRDCRB-MRVPVSSYSA-N -1 1 345.359 2.495 20 0 EEADMM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1csc(-c2nn[n-]n2)c1 ZINC001603945514 1350810259 /nfs/dbraw/zinc/81/02/59/1350810259.db2.gz MGAXSIVBMAFHJQ-OIBJUYFYSA-N -1 1 333.339 2.080 20 0 EEADMM CC[C@@H](C)[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001603999367 1350825517 /nfs/dbraw/zinc/82/55/17/1350825517.db2.gz WNMWJEXGPVUVGH-MFKMUULPSA-N -1 1 325.376 2.358 20 0 EEADMM CC[C@@H](C)[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001603999367 1350825524 /nfs/dbraw/zinc/82/55/24/1350825524.db2.gz WNMWJEXGPVUVGH-MFKMUULPSA-N -1 1 325.376 2.358 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cc(F)ccc1F ZINC001604050325 1350839920 /nfs/dbraw/zinc/83/99/20/1350839920.db2.gz JOTMURDBBQBZEB-LBPRGKRZSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cc(F)ccc1F ZINC001604050325 1350839923 /nfs/dbraw/zinc/83/99/23/1350839923.db2.gz JOTMURDBBQBZEB-LBPRGKRZSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1)[C@H](O)C(C)C ZINC001604064311 1350844049 /nfs/dbraw/zinc/84/40/49/1350844049.db2.gz QCJLDXMJBOZDHT-JOYOIKCWSA-N -1 1 344.341 2.488 20 0 EEADMM CC[C@H](Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1)[C@H](O)C(C)C ZINC001604064311 1350844056 /nfs/dbraw/zinc/84/40/56/1350844056.db2.gz QCJLDXMJBOZDHT-JOYOIKCWSA-N -1 1 344.341 2.488 20 0 EEADMM CC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC001604064902 1350844067 /nfs/dbraw/zinc/84/40/67/1350844067.db2.gz TVOROLLQRKFSKM-LBPRGKRZSA-N -1 1 347.386 2.032 20 0 EEADMM CC[C@H](OCCNC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001604071224 1350846486 /nfs/dbraw/zinc/84/64/86/1350846486.db2.gz KOESDXARZWVITB-ZDUSSCGKSA-N -1 1 341.371 2.357 20 0 EEADMM CC[C@H](OCCNC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001604071224 1350846492 /nfs/dbraw/zinc/84/64/92/1350846492.db2.gz KOESDXARZWVITB-ZDUSSCGKSA-N -1 1 341.371 2.357 20 0 EEADMM CCC1(CC)CCN(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001604084590 1350851095 /nfs/dbraw/zinc/85/10/95/1350851095.db2.gz AHFZQFXWHJUTKW-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM CCC1(CC)CCN(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001604084590 1350851097 /nfs/dbraw/zinc/85/10/97/1350851097.db2.gz AHFZQFXWHJUTKW-UHFFFAOYSA-N -1 1 335.437 2.045 20 0 EEADMM C[C@](CC(=O)[O-])(NCc1cccc2c1OCCO2)c1cccnc1 ZINC001604091381 1350853736 /nfs/dbraw/zinc/85/37/36/1350853736.db2.gz RBKGXIJBLUNCOV-GOSISDBHSA-N -1 1 328.368 2.333 20 0 EEADMM CC[C@H]1c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604116390 1350863898 /nfs/dbraw/zinc/86/38/98/1350863898.db2.gz PFEDHDMFIPGVGF-ZDUSSCGKSA-N -1 1 338.375 2.099 20 0 EEADMM CC[C@H]1c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604116390 1350863901 /nfs/dbraw/zinc/86/39/01/1350863901.db2.gz PFEDHDMFIPGVGF-ZDUSSCGKSA-N -1 1 338.375 2.099 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001604135421 1350869480 /nfs/dbraw/zinc/86/94/80/1350869480.db2.gz WGDVWUXIGRPEIE-JQWIXIFHSA-N -1 1 349.464 2.433 20 0 EEADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001604135421 1350869481 /nfs/dbraw/zinc/86/94/81/1350869481.db2.gz WGDVWUXIGRPEIE-JQWIXIFHSA-N -1 1 349.464 2.433 20 0 EEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(OC)c(OC)c1 ZINC001604266370 1350905858 /nfs/dbraw/zinc/90/58/58/1350905858.db2.gz GUZJZYAKYAOXMY-UHFFFAOYSA-N -1 1 343.343 2.144 20 0 EEADMM CCN(CCc1cccs1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604320713 1350914622 /nfs/dbraw/zinc/91/46/22/1350914622.db2.gz YYDVMGKOIIRTSJ-UHFFFAOYSA-N -1 1 328.401 2.028 20 0 EEADMM CCN(CCc1cccs1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604320713 1350914625 /nfs/dbraw/zinc/91/46/25/1350914625.db2.gz YYDVMGKOIIRTSJ-UHFFFAOYSA-N -1 1 328.401 2.028 20 0 EEADMM C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1cc(C(=O)[O-])co1 ZINC001604324788 1350915349 /nfs/dbraw/zinc/91/53/49/1350915349.db2.gz KVNQDYFFIARSLL-SWLSCSKDSA-N -1 1 330.384 2.328 20 0 EEADMM CC(C)[C@H](NC(=O)CN[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001604329819 1350917128 /nfs/dbraw/zinc/91/71/28/1350917128.db2.gz OQIGAFRCGQJSFD-OTYXRUKQSA-N -1 1 330.787 2.355 20 0 EEADMM CCSCc1cccnc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001604483614 1350947332 /nfs/dbraw/zinc/94/73/32/1350947332.db2.gz VMASRBKPPFDJPE-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CCSCc1cccnc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001604483614 1350947333 /nfs/dbraw/zinc/94/73/33/1350947333.db2.gz VMASRBKPPFDJPE-UHFFFAOYSA-N -1 1 341.400 2.162 20 0 EEADMM CCc1ccc([C@H]2CN(c3ccnc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC001604524151 1350954667 /nfs/dbraw/zinc/95/46/67/1350954667.db2.gz VATUJIIXBAVYDP-QGZVFWFLSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1ccc([C@H]2CN(c3ccnc(-c4nn[n-]n4)c3)CCO2)cc1 ZINC001604524151 1350954669 /nfs/dbraw/zinc/95/46/69/1350954669.db2.gz VATUJIIXBAVYDP-QGZVFWFLSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604536650 1350957353 /nfs/dbraw/zinc/95/73/53/1350957353.db2.gz KYTBHKZLDMLEKF-UHFFFAOYSA-N -1 1 329.751 2.125 20 0 EEADMM CN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC001604640953 1350975229 /nfs/dbraw/zinc/97/52/29/1350975229.db2.gz UMCHJLAGMHEXNP-UHFFFAOYSA-N -1 1 344.325 2.136 20 0 EEADMM CN(C(=O)CCc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC001604640953 1350975232 /nfs/dbraw/zinc/97/52/32/1350975232.db2.gz UMCHJLAGMHEXNP-UHFFFAOYSA-N -1 1 344.325 2.136 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nnn[n-]2)n1)[C@H]1CCc2ccccc2C1 ZINC001604643637 1350975425 /nfs/dbraw/zinc/97/54/25/1350975425.db2.gz RLPDXZCLNFYOLX-AWEZNQCLSA-N -1 1 349.398 2.283 20 0 EEADMM CN(C(=O)Nc1cccc(-c2nn[n-]n2)n1)[C@H]1CCc2ccccc2C1 ZINC001604643637 1350975427 /nfs/dbraw/zinc/97/54/27/1350975427.db2.gz RLPDXZCLNFYOLX-AWEZNQCLSA-N -1 1 349.398 2.283 20 0 EEADMM CN(CCC(C)(C)C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1C ZINC001604738641 1350994448 /nfs/dbraw/zinc/99/44/48/1350994448.db2.gz WPLVKJSAGDGPEP-UHFFFAOYSA-N -1 1 330.396 2.128 20 0 EEADMM CN(CCC(C)(C)C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1C ZINC001604738641 1350994451 /nfs/dbraw/zinc/99/44/51/1350994451.db2.gz WPLVKJSAGDGPEP-UHFFFAOYSA-N -1 1 330.396 2.128 20 0 EEADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1CO ZINC001604757521 1350998311 /nfs/dbraw/zinc/99/83/11/1350998311.db2.gz UJCMVXMBSJMAHV-DOMZBBRYSA-N -1 1 330.384 2.490 20 0 EEADMM COC(=O)c1ccc(CCNc2ccc(C)c(-c3nnn[n-]3)n2)cc1 ZINC001604971535 1351042464 /nfs/dbraw/zinc/04/24/64/1351042464.db2.gz XUEFLSJESXPIRY-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM COC(=O)c1ccc(CCNc2ccc(C)c(-c3nn[n-]n3)n2)cc1 ZINC001604971535 1351042468 /nfs/dbraw/zinc/04/24/68/1351042468.db2.gz XUEFLSJESXPIRY-UHFFFAOYSA-N -1 1 338.371 2.011 20 0 EEADMM CCC1(N2CCOCC2)CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC001605145041 1351087605 /nfs/dbraw/zinc/08/76/05/1351087605.db2.gz DWYCGQUAQQWBKT-UHFFFAOYSA-N -1 1 346.427 2.102 20 0 EEADMM COc1cc(-c2nn[nH]n2)ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC001605176486 1351095765 /nfs/dbraw/zinc/09/57/65/1351095765.db2.gz VZQNKXQQVXJFLS-UHFFFAOYSA-N -1 1 335.389 2.075 20 0 EEADMM COc1ccc(C)cc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001605266163 1351119962 /nfs/dbraw/zinc/11/99/62/1351119962.db2.gz ROWAQQGIUCDWQA-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc(C)cc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001605266163 1351119966 /nfs/dbraw/zinc/11/99/66/1351119966.db2.gz ROWAQQGIUCDWQA-NSHDSACASA-N -1 1 339.355 2.497 20 0 EEADMM COc1ccc(CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)cc1 ZINC001605279896 1351123399 /nfs/dbraw/zinc/12/33/99/1351123399.db2.gz ZREJJVDCCVBPLP-UHFFFAOYSA-N -1 1 348.366 2.287 20 0 EEADMM CCCn1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c(C)n1 ZINC001605389171 1351151974 /nfs/dbraw/zinc/15/19/74/1351151974.db2.gz BBAHTFXLYFSEGW-MRXNPFEDSA-N -1 1 333.388 2.231 20 0 EEADMM CCN1CC[C@H]1CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001605476364 1351166181 /nfs/dbraw/zinc/16/61/81/1351166181.db2.gz ZIFFRDZSYRANNA-VIFPVBQESA-N -1 1 329.759 2.393 20 0 EEADMM Cc1cc(F)ccc1C[C@H](C)Nc1ccc(-c2nn[nH]n2)c(N)[nH+]1 ZINC001605683058 1351215073 /nfs/dbraw/zinc/21/50/73/1351215073.db2.gz NFCSRISQFRFXFP-JTQLQIEISA-N -1 1 327.367 2.335 20 0 EEADMM CCc1cc(CNC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001605798235 1351224939 /nfs/dbraw/zinc/22/49/39/1351224939.db2.gz IWBTUBBZRNVRQV-UHFFFAOYSA-N -1 1 327.344 2.473 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001605903849 1351250907 /nfs/dbraw/zinc/25/09/07/1351250907.db2.gz LZRPIRJWPOHJBR-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1cccc(C(C)(C)CNC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001605903849 1351250909 /nfs/dbraw/zinc/25/09/09/1351250909.db2.gz LZRPIRJWPOHJBR-UHFFFAOYSA-N -1 1 336.399 2.278 20 0 EEADMM Cc1ncsc1CCOC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001606103464 1351271388 /nfs/dbraw/zinc/27/13/88/1351271388.db2.gz MAUZWWSERBHBFH-UHFFFAOYSA-N -1 1 333.348 2.170 20 0 EEADMM Cc1ncsc1CCOC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001606103464 1351271392 /nfs/dbraw/zinc/27/13/92/1351271392.db2.gz MAUZWWSERBHBFH-UHFFFAOYSA-N -1 1 333.348 2.170 20 0 EEADMM CN(CCc1ccccc1)CC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001606139794 1351278332 /nfs/dbraw/zinc/27/83/32/1351278332.db2.gz OMDSZJAIOXFQPR-UHFFFAOYSA-N -1 1 332.444 2.407 20 0 EEADMM COC(=O)CC[C@@H](C(=O)[O-])N1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC001606447837 1351303220 /nfs/dbraw/zinc/30/32/20/1351303220.db2.gz ASEPIMHIANUTMY-WMLDXEAASA-N -1 1 341.354 2.411 20 0 EEADMM O=C(CSc1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606584776 1351326768 /nfs/dbraw/zinc/32/67/68/1351326768.db2.gz HSXYUFZTTFSJQU-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(CSc1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606584776 1351326773 /nfs/dbraw/zinc/32/67/73/1351326773.db2.gz HSXYUFZTTFSJQU-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM COC(=O)c1cccc([C@H](C(=O)[O-])N2CCOC3(CCCC3)C2)c1 ZINC001606612736 1351332143 /nfs/dbraw/zinc/33/21/43/1351332143.db2.gz KRMYUHCXFHUKDG-OAHLLOKOSA-N -1 1 333.384 2.244 20 0 EEADMM O=C(NC[C@@H]1CCCC1(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606726385 1351347406 /nfs/dbraw/zinc/34/74/06/1351347406.db2.gz CKPYRKULSKBCKI-QMMMGPOBSA-N -1 1 343.284 2.310 20 0 EEADMM O=C(NC[C@@H]1CCCC1(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606726385 1351347408 /nfs/dbraw/zinc/34/74/08/1351347408.db2.gz CKPYRKULSKBCKI-QMMMGPOBSA-N -1 1 343.284 2.310 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1coc(-c2nnn[n-]2)c1 ZINC001606727059 1351347902 /nfs/dbraw/zinc/34/79/02/1351347902.db2.gz MQCCJNKUFAUCBZ-SECBINFHSA-N -1 1 325.319 2.405 20 0 EEADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1coc(-c2nn[n-]n2)c1 ZINC001606727059 1351347904 /nfs/dbraw/zinc/34/79/04/1351347904.db2.gz MQCCJNKUFAUCBZ-SECBINFHSA-N -1 1 325.319 2.405 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001606727677 1351347985 /nfs/dbraw/zinc/34/79/85/1351347985.db2.gz RZNKATPQBKHGSW-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001606727677 1351347987 /nfs/dbraw/zinc/34/79/87/1351347987.db2.gz RZNKATPQBKHGSW-QMMMGPOBSA-N -1 1 327.360 2.484 20 0 EEADMM COCCN(Cc1scnc1C)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001606890675 1351370021 /nfs/dbraw/zinc/37/00/21/1351370021.db2.gz QYHBRLOBPLLYBT-LBPRGKRZSA-N -1 1 326.418 2.047 20 0 EEADMM COCc1nc(NC(=O)c2c(C)n[nH]c2C(C)C)sc1C(=O)[O-] ZINC001606976870 1351389691 /nfs/dbraw/zinc/38/96/91/1351389691.db2.gz ZJWIZQIOKHQTFR-UHFFFAOYSA-N -1 1 338.389 2.395 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1([C@@H]2CCCCO2)CCC1 ZINC001606982533 1351391530 /nfs/dbraw/zinc/39/15/30/1351391530.db2.gz SDROJQRBWULNIQ-AWEZNQCLSA-N -1 1 343.387 2.044 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1([C@@H]2CCCCO2)CCC1 ZINC001606982533 1351391532 /nfs/dbraw/zinc/39/15/32/1351391532.db2.gz SDROJQRBWULNIQ-AWEZNQCLSA-N -1 1 343.387 2.044 20 0 EEADMM OC1(C2(CNc3snc(Cl)c3-c3nnn[n-]3)CC2)CCC1 ZINC001607098070 1351417150 /nfs/dbraw/zinc/41/71/50/1351417150.db2.gz JBJMNLWCYPIZPJ-UHFFFAOYSA-N -1 1 326.813 2.084 20 0 EEADMM OC1(C2(CNc3snc(Cl)c3-c3nn[n-]n3)CC2)CCC1 ZINC001607098070 1351417153 /nfs/dbraw/zinc/41/71/53/1351417153.db2.gz JBJMNLWCYPIZPJ-UHFFFAOYSA-N -1 1 326.813 2.084 20 0 EEADMM OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)c1 ZINC001607099038 1351417218 /nfs/dbraw/zinc/41/72/18/1351417218.db2.gz DODWZWOZDYIMLS-MCPYQZEQSA-N -1 1 348.410 2.281 20 0 EEADMM OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)c1 ZINC001607099038 1351417219 /nfs/dbraw/zinc/41/72/19/1351417219.db2.gz DODWZWOZDYIMLS-MCPYQZEQSA-N -1 1 348.410 2.281 20 0 EEADMM COc1ccc(C[C@@H]2CCCCN2Cn2cc(C(=O)[O-])nn2)cc1 ZINC001607247016 1351458006 /nfs/dbraw/zinc/45/80/06/1351458006.db2.gz NOBQRZCGWQYSKT-AWEZNQCLSA-N -1 1 330.388 2.040 20 0 EEADMM COc1nsc(CN2CCO[C@H](C(C)(C)C)CC2)c1C(=O)[O-] ZINC001607363731 1351482752 /nfs/dbraw/zinc/48/27/52/1351482752.db2.gz HWVKBCGVZZOCCK-NSHDSACASA-N -1 1 328.434 2.487 20 0 EEADMM C[C@H]1CN(CCC(=O)Nc2cccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001607476259 1351500498 /nfs/dbraw/zinc/50/04/98/1351500498.db2.gz JCCGPQQUTUMPPA-GUYCJALGSA-N -1 1 342.395 2.342 20 0 EEADMM Cc1ccc([C@H](CNCc2cc(C(=O)[O-])co2)N2CCOCC2)o1 ZINC001607756364 1351553288 /nfs/dbraw/zinc/55/32/88/1351553288.db2.gz IKLDZOWGYHXXLF-HNNXBMFYSA-N -1 1 334.372 2.042 20 0 EEADMM Cn1ccc(C2CCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)n1 ZINC001608126563 1351630456 /nfs/dbraw/zinc/63/04/56/1351630456.db2.gz KGZLODJHLVTEGW-UHFFFAOYSA-N -1 1 339.399 2.305 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cccc(Br)c1O)CC1CC1 ZINC001608419282 1351690887 /nfs/dbraw/zinc/69/08/87/1351690887.db2.gz KWCGAUOUPUOUEI-SECBINFHSA-N -1 1 342.189 2.385 20 0 EEADMM CCC(CC)(NC(=O)c1ccc2ccc(O)cc2c1O)c1nn[n-]n1 ZINC001623445796 1352397287 /nfs/dbraw/zinc/39/72/87/1352397287.db2.gz OLKKOPMQPCSEBD-UHFFFAOYSA-N -1 1 341.371 2.209 20 0 EEADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCc1ccc2sccc2c1 ZINC001625734914 1352456054 /nfs/dbraw/zinc/45/60/54/1352456054.db2.gz IYGZHYGVHNHIQZ-UHFFFAOYSA-N -1 1 331.353 2.041 20 0 EEADMM COc1cccc([C@H](O)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001630884514 1352574136 /nfs/dbraw/zinc/57/41/36/1352574136.db2.gz RFJDVDZMWGIFTN-KRWDZBQOSA-N -1 1 339.351 2.259 20 0 EEADMM O=C(Nc1ccc(Br)c([O-])c1)c1ccc2n[nH]nc2n1 ZINC001632993095 1352603427 /nfs/dbraw/zinc/60/34/27/1352603427.db2.gz UFYJYYKQKIARNR-UHFFFAOYSA-N -1 1 334.133 2.073 20 0 EEADMM O=C(NC[C@@H](c1nc[nH]n1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC001635392724 1352644210 /nfs/dbraw/zinc/64/42/10/1352644210.db2.gz FNIJOTPOUINPTJ-GFCCVEGCSA-N -1 1 344.321 2.350 20 0 EEADMM Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001644225967 1352760108 /nfs/dbraw/zinc/76/01/08/1352760108.db2.gz GCRAXWWABXDQTB-UHFFFAOYSA-N -1 1 338.367 2.410 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@]2(CCOC2=O)C1 ZINC001646630877 1352893144 /nfs/dbraw/zinc/89/31/44/1352893144.db2.gz UXJVPLQIEISWFM-CQSZACIVSA-N -1 1 329.274 2.190 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001647092822 1353136712 /nfs/dbraw/zinc/13/67/12/1353136712.db2.gz DDFHCEHQNLMSCO-FZZIBODNSA-N -1 1 347.383 2.065 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@H](CO)C1CCCCC1 ZINC001647114377 1353148822 /nfs/dbraw/zinc/14/88/22/1353148822.db2.gz HBJJXIDEYCVAQP-CYBMUJFWSA-N -1 1 349.399 2.193 20 0 EEADMM C[C@H]1C(=O)CC[C@H](C(=O)OCC(=O)c2ccc([O-])cc2O)C1(C)C ZINC001647153779 1353167846 /nfs/dbraw/zinc/16/78/46/1353167846.db2.gz QFHFUSLROVCCJF-GXFFZTMASA-N -1 1 334.368 2.465 20 0 EEADMM CCOCC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(F)cc1OC ZINC001649806290 1353605958 /nfs/dbraw/zinc/60/59/58/1353605958.db2.gz WXAKFGQTWWBDTK-UHFFFAOYSA-N -1 1 337.388 2.314 20 0 EEADMM CC(C)(C)N1CCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001649862037 1353629477 /nfs/dbraw/zinc/62/94/77/1353629477.db2.gz URPFGPCWKVNHDH-LJQANCHMSA-N -1 1 347.459 2.155 20 0 EEADMM C[C@@H]1CCCN(c2nnc(-c3cnc(C4CC4)[n-]c3=O)n2C)CC1 ZINC001650284011 1353820804 /nfs/dbraw/zinc/82/08/04/1353820804.db2.gz FEEQIAVLOCIXDK-LLVKDONJSA-N -1 1 328.420 2.482 20 0 EEADMM CCN(CC1CCC1)c1nnc(-c2c[n-][nH]c2=O)n1C[C@H]1CCOC1 ZINC001650485246 1353946048 /nfs/dbraw/zinc/94/60/48/1353946048.db2.gz AVNAMQNVBGENNH-CYBMUJFWSA-N -1 1 346.435 2.037 20 0 EEADMM Cn1c(CNC(=O)c2ccc(Cn3cccc3)cc2)n[n-]c1=S ZINC000066625471 1354078162 /nfs/dbraw/zinc/07/81/62/1354078162.db2.gz XIJPTJAQPCPNNO-UHFFFAOYSA-N -1 1 327.413 2.257 20 0 EEADMM CCn1c(CCNC(=O)c2ccc(OCC3CC3)nc2)n[n-]c1=S ZINC000067078186 1354089808 /nfs/dbraw/zinc/08/98/08/1354089808.db2.gz PKBZFKVWZORVCX-UHFFFAOYSA-N -1 1 347.444 2.117 20 0 EEADMM COc1cc(CC[N-]S(=O)(=O)c2cc3ccccc3o2)ccn1 ZINC001656305097 1354221817 /nfs/dbraw/zinc/22/18/17/1354221817.db2.gz AESSEVKSOAAEJY-UHFFFAOYSA-N -1 1 332.381 2.357 20 0 EEADMM O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1c[nH]nc1C(F)(F)F ZINC001663908938 1355052451 /nfs/dbraw/zinc/05/24/51/1355052451.db2.gz NCGWRKRMHWBDEE-UHFFFAOYSA-N -1 1 344.318 2.388 20 0 EEADMM CCCC[C@@](C)(F)C(=O)N(CC)CCNC(=O)c1ncccc1[O-] ZINC001388239272 1387276185 /nfs/dbraw/zinc/27/61/85/1387276185.db2.gz CVIPZDCSIOHLMQ-QGZVFWFLSA-N -1 1 339.411 2.284 20 0 EEADMM CCOC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2F)CCCC1 ZINC000101574255 1358266098 /nfs/dbraw/zinc/26/60/98/1358266098.db2.gz JWQFWXZSXPBOAF-UHFFFAOYSA-N -1 1 333.356 2.119 20 0 EEADMM CC(C)CC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001388803799 1387714757 /nfs/dbraw/zinc/71/47/57/1387714757.db2.gz GQZRAMXXKPOPFD-UONOGXRCSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195202090 1368510069 /nfs/dbraw/zinc/51/00/69/1368510069.db2.gz NBCVFENVFTUVEA-UHFFFAOYSA-N -1 1 346.286 2.306 20 0 EEADMM CSc1nc(NC(=O)c2ccn(C3CCC3)c(=O)c2)cc(=O)[n-]1 ZINC001198744432 1368641574 /nfs/dbraw/zinc/64/15/74/1368641574.db2.gz SEXWGSZCEWYIOR-UHFFFAOYSA-N -1 1 332.385 2.043 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2ccccc2)C1 ZINC000864429067 1369600630 /nfs/dbraw/zinc/60/06/30/1369600630.db2.gz MUORLPQAWKTMPI-AWEZNQCLSA-N -1 1 329.322 2.039 20 0 EEADMM CCCCC(=O)N1CCC[C@@]2(CCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001069711414 1370231307 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Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N1CCc2c(F)cc(F)cc2C1 ZINC001123665239 1372168198 /nfs/dbraw/zinc/16/81/98/1372168198.db2.gz WILLKVNADJEAGV-UHFFFAOYSA-N -1 1 337.351 2.256 20 0 EEADMM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000830715032 1372344901 /nfs/dbraw/zinc/34/49/01/1372344901.db2.gz UDZLQBLIVQLZLP-JTQLQIEISA-N -1 1 329.809 2.117 20 0 EEADMM CSc1ccc(C(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000831159345 1372369017 /nfs/dbraw/zinc/36/90/17/1372369017.db2.gz ZXSQUKIMQZEBHS-UHFFFAOYSA-N -1 1 332.347 2.159 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCCC(=O)C1CC1 ZINC000848337262 1373134912 /nfs/dbraw/zinc/13/49/12/1373134912.db2.gz DDWJUYUIOCRTIS-ZYHUDNBSSA-N -1 1 348.365 2.194 20 0 EEADMM CCn1cc([C@@H](C)NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cn1 ZINC001361545216 1373308251 /nfs/dbraw/zinc/30/82/51/1373308251.db2.gz BVXMEHDLTJDJMP-SNVBAGLBSA-N -1 1 349.460 2.239 20 0 EEADMM CSc1nc(CNC(=O)COc2ccccc2Cl)cc(=O)[n-]1 ZINC001362610030 1373438259 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CCCCC(=O)NCc1ccc([C@H](C)NCc2n[nH]c(=O)[n-]2)cc1 ZINC001376579278 1378607557 /nfs/dbraw/zinc/60/75/57/1378607557.db2.gz PQUXZWFVFMYYKM-LBPRGKRZSA-N -1 1 331.420 2.168 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)c1ccccc1Cl ZINC001390372963 1388610957 /nfs/dbraw/zinc/61/09/57/1388610957.db2.gz BBCNPSRVKIDMCY-NSHDSACASA-N -1 1 347.802 2.379 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)c1ccc(Cl)cc1 ZINC001381961874 1381887116 /nfs/dbraw/zinc/88/71/16/1381887116.db2.gz KPRFMJNWVDVKBC-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC001385467218 1385597086 /nfs/dbraw/zinc/59/70/86/1385597086.db2.gz JRNHUYMOCHLZMS-CYBMUJFWSA-N -1 1 333.432 2.192 20 0 EEADMM CCC[C@H](C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C1)C(C)C ZINC001385897458 1385895502 /nfs/dbraw/zinc/89/55/02/1385895502.db2.gz XRXCXRHOMCWTQI-KBPBESRZSA-N -1 1 333.432 2.190 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001387182270 1386555511 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ZINC001606020453 1404756483 /nfs/dbraw/zinc/75/64/83/1404756483.db2.gz ZHBSIJIEMUOXHC-CBAPKCEASA-N -1 1 327.314 2.132 20 0 EEADMM Cc1nsc(NC(=O)N(CC2CC2)C2CCC2)c1-c1nnn[n-]1 ZINC001606149407 1404769533 /nfs/dbraw/zinc/76/95/33/1404769533.db2.gz PNKOINQBYHLXPW-UHFFFAOYSA-N -1 1 333.421 2.428 20 0 EEADMM Cc1nsc(NC(=O)N(CC2CC2)C2CCC2)c1-c1nn[n-]n1 ZINC001606149407 1404769536 /nfs/dbraw/zinc/76/95/36/1404769536.db2.gz PNKOINQBYHLXPW-UHFFFAOYSA-N -1 1 333.421 2.428 20 0 EEADMM FC1(F)[C@@H]2CC[C@@H](Nc3cc(-c4nnn[n-]4)nc(C4CC4)n3)C[C@@H]21 ZINC001606301184 1404782187 /nfs/dbraw/zinc/78/21/87/1404782187.db2.gz PHBJTKNTAMEFJW-BBBLOLIVSA-N -1 1 333.346 2.380 20 0 EEADMM FC1(F)[C@@H]2CC[C@@H](Nc3cc(-c4nn[n-]n4)nc(C4CC4)n3)C[C@@H]21 ZINC001606301184 1404782192 /nfs/dbraw/zinc/78/21/92/1404782192.db2.gz PHBJTKNTAMEFJW-BBBLOLIVSA-N -1 1 333.346 2.380 20 0 EEADMM CO[C@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CC(C)C)CC1 ZINC001772333775 1410136898 /nfs/dbraw/zinc/13/68/98/1410136898.db2.gz 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DLRQUFLFPZXENE-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM Cc1csc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC000993255050 796162726 /nfs/dbraw/zinc/16/27/26/796162726.db2.gz YTVDKLVKBVJYHZ-CHWSQXEVSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1cccc2c(NCCCNC(=O)c3ncccc3[O-])ncnc12 ZINC001094375749 796183986 /nfs/dbraw/zinc/18/39/86/796183986.db2.gz OHAFAJBSBOUNLZ-UHFFFAOYSA-N -1 1 337.383 2.271 20 0 EEADMM CCN(CCNc1ccnc(C2CC2)n1)C(=O)c1ncccc1[O-] ZINC001106727122 796296561 /nfs/dbraw/zinc/29/65/61/796296561.db2.gz JIIPLTFTKCXPSW-UHFFFAOYSA-N -1 1 327.388 2.029 20 0 EEADMM O=C(NC1CCC(Nc2cccc(F)n2)CC1)c1ncccc1[O-] ZINC001060589583 796699879 /nfs/dbraw/zinc/69/98/79/796699879.db2.gz XJQCCUOUJJXEQX-UHFFFAOYSA-N -1 1 330.363 2.474 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1)C(=O)c1ncccc1[O-] ZINC001002144121 797621573 /nfs/dbraw/zinc/62/15/73/797621573.db2.gz AXGMAKWKMGUZMG-GJZGRUSLSA-N -1 1 343.427 2.207 20 0 EEADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cccc(C(=O)N2CCCC2)c1 ZINC001174169028 797701550 /nfs/dbraw/zinc/70/15/50/797701550.db2.gz FYVOVBOLIHZLMU-UHFFFAOYSA-N -1 1 331.401 2.033 20 0 EEADMM CCN(C)C(=O)c1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)cc1 ZINC001174320828 797741520 /nfs/dbraw/zinc/74/15/20/797741520.db2.gz OPYSMDFMDMZXGX-UHFFFAOYSA-N -1 1 344.375 2.482 20 0 EEADMM CNS(=O)(=O)c1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001174726619 797852252 /nfs/dbraw/zinc/85/22/52/797852252.db2.gz AHDXVCJIEHQZAA-UHFFFAOYSA-N -1 1 346.364 2.150 20 0 EEADMM Cc1ccccc1NCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001168693235 797916195 /nfs/dbraw/zinc/91/61/95/797916195.db2.gz HUXNUIGRNQHURA-KRWDZBQOSA-N -1 1 336.399 2.216 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001002362646 797967660 /nfs/dbraw/zinc/96/76/60/797967660.db2.gz AAEUQVNZDXFJDL-GFCCVEGCSA-N -1 1 335.379 2.114 20 0 EEADMM O=C(N[C@H]1CCC[C@@H](Nc2cccc(F)n2)C1)c1ncccc1[O-] ZINC001061077147 797974307 /nfs/dbraw/zinc/97/43/07/797974307.db2.gz YMBFLMFKCKWMBU-NEPJUHHUSA-N -1 1 330.363 2.474 20 0 EEADMM CN1CCN(c2cccnc2Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001175159027 798003540 /nfs/dbraw/zinc/00/35/40/798003540.db2.gz WMCUDHJJEWYSKW-UHFFFAOYSA-N -1 1 330.363 2.414 20 0 EEADMM Cc1occc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC001002412966 798032479 /nfs/dbraw/zinc/03/24/79/798032479.db2.gz RCAHZVSSZDBANX-CYBMUJFWSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@]1(CNc2cncc(Cl)n2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065412090 799023836 /nfs/dbraw/zinc/02/38/36/799023836.db2.gz SXILTDHXCGSUIN-MRXNPFEDSA-N -1 1 347.806 2.195 20 0 EEADMM Cc1cc(C)nc(NC[C@@]2(C)CCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001065412622 799025394 /nfs/dbraw/zinc/02/53/94/799025394.db2.gz HTCNFNIVHDMOEN-GOSISDBHSA-N -1 1 341.415 2.158 20 0 EEADMM CSc1nc(NC(=O)Cc2sc(=S)[nH]c2C)cc(=O)[n-]1 ZINC001177597443 799040394 /nfs/dbraw/zinc/04/03/94/799040394.db2.gz SOFWOJQKKQIQFA-UHFFFAOYSA-N -1 1 328.444 2.139 20 0 EEADMM CC/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065935865 799778980 /nfs/dbraw/zinc/77/89/80/799778980.db2.gz HYZACEKHCRHUDL-BLXFFLACSA-N -1 1 331.416 2.254 20 0 EEADMM CCCC[C@H](C(=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)[C@@H]1C)C(C)C ZINC001180235422 800325689 /nfs/dbraw/zinc/32/56/89/800325689.db2.gz QMAPBUAHARSALD-IHRRRGAJSA-N -1 1 337.468 2.052 20 0 EEADMM O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ncccc1[O-] ZINC001061343797 800435630 /nfs/dbraw/zinc/43/56/30/800435630.db2.gz MPHJESUPBGLCMV-GFCCVEGCSA-N -1 1 338.367 2.327 20 0 EEADMM CC(C)(C)O[C@H](C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccccc1 ZINC000827653559 800496798 /nfs/dbraw/zinc/49/67/98/800496798.db2.gz DGQGCNOWHRYULR-HNNXBMFYSA-N -1 1 343.431 2.462 20 0 EEADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085436042 800502572 /nfs/dbraw/zinc/50/25/72/800502572.db2.gz POVFLLZLQROCMT-BFHYXJOUSA-N -1 1 349.479 2.244 20 0 EEADMM CCCOc1ccc([C@@H](O)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC001180832647 800567740 /nfs/dbraw/zinc/56/77/40/800567740.db2.gz LXCHGOZFEZSPCV-SNVBAGLBSA-N -1 1 344.293 2.284 20 0 EEADMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCOC[C@H]1c1ccccc1 ZINC000828197407 800631998 /nfs/dbraw/zinc/63/19/98/800631998.db2.gz GIRRCRNBVLMGSG-HNNXBMFYSA-N -1 1 325.368 2.273 20 0 EEADMM CCC(CC)(C(=O)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ccccc1 ZINC001181158778 800694873 /nfs/dbraw/zinc/69/48/73/800694873.db2.gz IQBRAWMIZIPWRE-UHFFFAOYSA-N -1 1 341.371 2.412 20 0 EEADMM COc1ccc(CCCC(=O)NCCCC[P@](=O)([O-])O)cc1 ZINC001181218143 800721797 /nfs/dbraw/zinc/72/17/97/800721797.db2.gz PDBHTPHGXFJYBQ-UHFFFAOYSA-N -1 1 329.333 2.092 20 0 EEADMM Cc1ccc(NCCCC[C@H](C)NC(=O)c2ncccc2[O-])nn1 ZINC001090079123 801219852 /nfs/dbraw/zinc/21/98/52/801219852.db2.gz CNHMGNPZLDDCCH-LBPRGKRZSA-N -1 1 329.404 2.286 20 0 EEADMM O=C(Cc1ccc2nc[nH]c2c1)Nc1nc[n-]c(=O)c1Br ZINC001182841704 801371894 /nfs/dbraw/zinc/37/18/94/801371894.db2.gz VBMZBSNPZSMIJH-UHFFFAOYSA-N -1 1 348.160 2.002 20 0 EEADMM CC(C)CCc1cc([N-]S(=O)(=O)c2ncn(C)c2Cl)n[nH]1 ZINC000786896005 806931853 /nfs/dbraw/zinc/93/18/53/806931853.db2.gz 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ZINC001112783746 807231909 /nfs/dbraw/zinc/23/19/09/807231909.db2.gz AXGSUDNYBJWBEH-UHFFFAOYSA-N -1 1 341.411 2.014 20 0 EEADMM Cn1cccc1C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000787953719 807312275 /nfs/dbraw/zinc/31/22/75/807312275.db2.gz BPCJNZJBOJFIFN-UHFFFAOYSA-N -1 1 343.314 2.095 20 0 EEADMM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]CC1OCCCO1 ZINC000788415192 807523973 /nfs/dbraw/zinc/52/39/73/807523973.db2.gz COYKZFDPLXDKIZ-UHFFFAOYSA-N -1 1 340.228 2.176 20 0 EEADMM CC(C)c1nccc(N[C@@H](C)[C@H](C)NC(=O)c2ncccc2[O-])n1 ZINC001112982688 807785585 /nfs/dbraw/zinc/78/55/85/807785585.db2.gz ANIDOWQMLAQQIW-RYUDHWBXSA-N -1 1 329.404 2.320 20 0 EEADMM O=C(CCNC(=O)c1ccc(F)cc1)Nc1nc(Cl)ccc1[O-] ZINC000790055022 808381703 /nfs/dbraw/zinc/38/17/03/808381703.db2.gz AGDQCDUAYUGGEN-UHFFFAOYSA-N -1 1 337.738 2.338 20 0 EEADMM Cn1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)n1 ZINC000791049979 809050556 /nfs/dbraw/zinc/05/05/56/809050556.db2.gz UAEDIVDNDMOJOR-UHFFFAOYSA-N -1 1 338.755 2.378 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)c3cnc(-c4ccco4)s3)ccnc1-2 ZINC000791284726 809171091 /nfs/dbraw/zinc/17/10/91/809171091.db2.gz CRVSYJORJLQOAO-UHFFFAOYSA-N -1 1 325.353 2.311 20 0 EEADMM Cc1cc(N(C)[C@H](C)CNC(=O)c2ncccc2[O-])nc(C(C)C)n1 ZINC001113574664 809272932 /nfs/dbraw/zinc/27/29/32/809272932.db2.gz CHADICUBUASZFB-CYBMUJFWSA-N -1 1 343.431 2.264 20 0 EEADMM Cc1cc(N(C)[C@@H](C)CNC(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001113575239 809273720 /nfs/dbraw/zinc/27/37/20/809273720.db2.gz QAUKOLYXOSZYBL-LBPRGKRZSA-N -1 1 341.415 2.018 20 0 EEADMM O=c1[n-]c2nc(=O)[nH]c(Nc3cc(Cl)nc4cnccc43)c2[nH]1 ZINC001170216383 809819674 /nfs/dbraw/zinc/81/96/74/809819674.db2.gz KJBOPWGVEQLGGK-UHFFFAOYSA-N -1 1 329.707 2.056 20 0 EEADMM CCc1nc(Cl)c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc1CC ZINC001170217548 809819756 /nfs/dbraw/zinc/81/97/56/809819756.db2.gz SDDICOWDNFTQJH-UHFFFAOYSA-N -1 1 335.755 2.028 20 0 EEADMM O=c1nc2nc[nH]c2c(Nc2ccnc(CCc3ccccc3)n2)[n-]1 ZINC001170227696 809845734 /nfs/dbraw/zinc/84/57/34/809845734.db2.gz UIKXYTKFOGQJIK-UHFFFAOYSA-N -1 1 333.355 2.377 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCCc2ccccc2Cl)co1 ZINC000805515498 811328026 /nfs/dbraw/zinc/32/80/26/811328026.db2.gz AGIKSRBHQNRXDX-UHFFFAOYSA-N -1 1 343.788 2.241 20 0 EEADMM CC(C)(C)C[C@H](NC(=O)COC(=O)c1cn[n-]n1)c1ccc(F)cc1 ZINC000805607153 811371550 /nfs/dbraw/zinc/37/15/50/811371550.db2.gz RPVKTPQHTDHDAQ-ZDUSSCGKSA-N -1 1 348.378 2.394 20 0 EEADMM C[C@@H](CNC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(F)cc1 ZINC000806485400 811894476 /nfs/dbraw/zinc/89/44/76/811894476.db2.gz RIIUHUQZHFFSIZ-NSHDSACASA-N -1 1 327.363 2.406 20 0 EEADMM Cc1ccc(C2=NO[C@@H](CNC(=O)C(=O)c3ccc([O-])cc3)C2)cc1 ZINC000807483897 812255815 /nfs/dbraw/zinc/25/58/15/812255815.db2.gz VIJJRXVTTRIMIX-MRXNPFEDSA-N -1 1 338.363 2.193 20 0 EEADMM O=S(=O)([N-]c1ccc(C2(O)COC2)cc1)c1ccc(Cl)cc1 ZINC000808120866 812463502 /nfs/dbraw/zinc/46/35/02/812463502.db2.gz ZTAHDPDUVUQMLU-UHFFFAOYSA-N -1 1 339.800 2.359 20 0 EEADMM Brc1cccnc1CNc1cccc(-c2nnn[n-]2)n1 ZINC001573280177 946656273 /nfs/dbraw/zinc/65/62/73/946656273.db2.gz RRFYTHHSWUYNBI-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cccnc1CNc1cccc(-c2nn[n-]n2)n1 ZINC001573280177 946656282 /nfs/dbraw/zinc/65/62/82/946656282.db2.gz RRFYTHHSWUYNBI-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000326268198 971279046 /nfs/dbraw/zinc/27/90/46/971279046.db2.gz ICFRWQYLAQMINF-JDFRZJQESA-N -1 1 330.384 2.013 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001573364977 947728238 /nfs/dbraw/zinc/72/82/38/947728238.db2.gz SDKVDVGMRRKJQB-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM CC(=CC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001573364977 947728245 /nfs/dbraw/zinc/72/82/45/947728245.db2.gz SDKVDVGMRRKJQB-CMDGGOBGSA-N -1 1 341.350 2.090 20 0 EEADMM COc1cccc(OC)c1Sc1cc(-c2nnn[n-]2)nc(C)n1 ZINC001570929092 948752412 /nfs/dbraw/zinc/75/24/12/948752412.db2.gz GOHZUBGFRZFOAW-UHFFFAOYSA-N -1 1 330.373 2.134 20 0 EEADMM COc1cccc(OC)c1Sc1cc(-c2nn[n-]n2)nc(C)n1 ZINC001570929092 948752417 /nfs/dbraw/zinc/75/24/17/948752417.db2.gz GOHZUBGFRZFOAW-UHFFFAOYSA-N -1 1 330.373 2.134 20 0 EEADMM CC[C@H](CNCc1oc(Br)cc1C(=O)OC)C(=O)[O-] ZINC001589554492 948776098 /nfs/dbraw/zinc/77/60/98/948776098.db2.gz MCGKERCBFVVRCJ-SSDOTTSWSA-N -1 1 334.166 2.029 20 0 EEADMM C[C@H](Cc1ccco1)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001575203308 952519875 /nfs/dbraw/zinc/51/98/75/952519875.db2.gz TXRXTILAOKDYMU-MRVPVSSYSA-N -1 1 333.298 2.099 20 0 EEADMM C[C@H](Cc1ccco1)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001575203308 952519877 /nfs/dbraw/zinc/51/98/77/952519877.db2.gz TXRXTILAOKDYMU-MRVPVSSYSA-N -1 1 333.298 2.099 20 0 EEADMM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccnc(Cl)c1F)O2 ZINC001594904732 954664164 /nfs/dbraw/zinc/66/41/64/954664164.db2.gz GOYXWBVINDZVHL-VTWZXRTESA-N -1 1 328.771 2.376 20 0 EEADMM CC1(C)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000693013937 954718558 /nfs/dbraw/zinc/71/85/58/954718558.db2.gz 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ZINC000735839509 578170747 /nfs/dbraw/zinc/17/07/47/578170747.db2.gz WYSDQGKUFONERL-UONOGXRCSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)CO[C@H]1C[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000735839509 578170748 /nfs/dbraw/zinc/17/07/48/578170748.db2.gz WYSDQGKUFONERL-UONOGXRCSA-N -1 1 345.403 2.258 20 0 EEADMM CC(C)(NCC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000736338988 578196850 /nfs/dbraw/zinc/19/68/50/578196850.db2.gz APFCBMPQYAAHCB-UHFFFAOYSA-N -1 1 333.432 2.458 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000736360217 578198943 /nfs/dbraw/zinc/19/89/43/578198943.db2.gz AFBTYKFYLMNVQJ-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000736360217 578198944 /nfs/dbraw/zinc/19/89/44/578198944.db2.gz AFBTYKFYLMNVQJ-ZDUSSCGKSA-N -1 1 344.325 2.421 20 0 EEADMM CCCOCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736488253 578207156 /nfs/dbraw/zinc/20/71/56/578207156.db2.gz MSQISDMPKMTWLM-UHFFFAOYSA-N -1 1 345.359 2.142 20 0 EEADMM CCCOCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736488253 578207157 /nfs/dbraw/zinc/20/71/57/578207157.db2.gz MSQISDMPKMTWLM-UHFFFAOYSA-N -1 1 345.359 2.142 20 0 EEADMM COC(=O)c1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736948717 578230527 /nfs/dbraw/zinc/23/05/27/578230527.db2.gz MGFNAROMGOGEBN-UHFFFAOYSA-N -1 1 348.322 2.389 20 0 EEADMM CCCCCCN(C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736984381 578232347 /nfs/dbraw/zinc/23/23/47/578232347.db2.gz YTGUHDLNYAPRSR-MRXNPFEDSA-N -1 1 334.416 2.377 20 0 EEADMM CCN(C)[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000737067410 578236094 /nfs/dbraw/zinc/23/60/94/578236094.db2.gz ARJALBQYQYLXEJ-CVEARBPZSA-N -1 1 330.428 2.393 20 0 EEADMM CCN(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000737069254 578236227 /nfs/dbraw/zinc/23/62/27/578236227.db2.gz PJPBTWYNDYWOLO-MSOLQXFVSA-N -1 1 340.423 2.492 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC000737086880 578237322 /nfs/dbraw/zinc/23/73/22/578237322.db2.gz CCIVUNNXMIATFG-NSHDSACASA-N -1 1 325.376 2.099 20 0 EEADMM COc1ccc(CC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000737086880 578237323 /nfs/dbraw/zinc/23/73/23/578237323.db2.gz CCIVUNNXMIATFG-NSHDSACASA-N -1 1 325.376 2.099 20 0 EEADMM CCNC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737121843 578239156 /nfs/dbraw/zinc/23/91/56/578239156.db2.gz BFBBLVKCOHTSEW-INIZCTEOSA-N -1 1 330.359 2.491 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737397394 578254985 /nfs/dbraw/zinc/25/49/85/578254985.db2.gz YMXAQJGCZWFUDL-UHFFFAOYSA-N -1 1 347.375 2.139 20 0 EEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000737616899 578266876 /nfs/dbraw/zinc/26/68/76/578266876.db2.gz WOZGIERBODDBHL-OAHLLOKOSA-N -1 1 332.371 2.197 20 0 EEADMM Cn1ccnc1[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000737616899 578266877 /nfs/dbraw/zinc/26/68/77/578266877.db2.gz WOZGIERBODDBHL-OAHLLOKOSA-N -1 1 332.371 2.197 20 0 EEADMM FC(F)CN1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737639390 578268122 /nfs/dbraw/zinc/26/81/22/578268122.db2.gz SOGJZOBUWBTAIU-UHFFFAOYSA-N -1 1 343.769 2.057 20 0 EEADMM FC(F)CN1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737639390 578268123 /nfs/dbraw/zinc/26/81/23/578268123.db2.gz SOGJZOBUWBTAIU-UHFFFAOYSA-N -1 1 343.769 2.057 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000821873654 599063347 /nfs/dbraw/zinc/06/33/47/599063347.db2.gz WFAOSVVPNFIDQD-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000821873654 599063351 /nfs/dbraw/zinc/06/33/51/599063351.db2.gz WFAOSVVPNFIDQD-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM c1ccc(COC[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000823788247 599064061 /nfs/dbraw/zinc/06/40/61/599064061.db2.gz WAHUGZKCVZFNGW-HNNXBMFYSA-N -1 1 336.399 2.305 20 0 EEADMM c1ccc(COC[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000823788247 599064064 /nfs/dbraw/zinc/06/40/64/599064064.db2.gz WAHUGZKCVZFNGW-HNNXBMFYSA-N -1 1 336.399 2.305 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000820590222 607266551 /nfs/dbraw/zinc/26/65/51/607266551.db2.gz QPNVRERAESEAIE-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000820590222 607266552 /nfs/dbraw/zinc/26/65/52/607266552.db2.gz QPNVRERAESEAIE-HNNXBMFYSA-N -1 1 334.383 2.414 20 0 EEADMM COC(=O)c1ccc(-c2nc(CN3CCC(C(=O)[O-])CC3)co2)cc1 ZINC000820679944 597720350 /nfs/dbraw/zinc/72/03/50/597720350.db2.gz IBHANORWFYHOOC-UHFFFAOYSA-N -1 1 344.367 2.425 20 0 EEADMM CN(C)c1ccccc1N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821591002 607395580 /nfs/dbraw/zinc/39/55/80/607395580.db2.gz PXMCYYJLJJZPCT-UHFFFAOYSA-N -1 1 328.401 2.271 20 0 EEADMM CN(C)c1ccccc1N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821591002 607395582 /nfs/dbraw/zinc/39/55/82/607395582.db2.gz PXMCYYJLJJZPCT-UHFFFAOYSA-N -1 1 328.401 2.271 20 0 EEADMM C[C@@H](CN(C)CC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000042705391 600361784 /nfs/dbraw/zinc/36/17/84/600361784.db2.gz CTBHQBDYPWKEGO-VIFPVBQESA-N -1 1 329.194 2.040 20 0 EEADMM CCC[C@](C)(NCC(=O)N(C)c1nc2ccccc2s1)C(=O)[O-] ZINC000829193843 601007801 /nfs/dbraw/zinc/00/78/01/601007801.db2.gz KTUXUZLWIHCRLH-INIZCTEOSA-N -1 1 335.429 2.492 20 0 EEADMM COc1ccccc1/C(C)=C\C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000832588814 601085167 /nfs/dbraw/zinc/08/51/67/601085167.db2.gz IEMCDTPCYFFBFC-IKESIWSLSA-N -1 1 346.427 2.106 20 0 EEADMM CC(C)COc1ccccc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000826905147 601093936 /nfs/dbraw/zinc/09/39/36/601093936.db2.gz DUCIAMANTLAGJM-HNNXBMFYSA-N -1 1 348.443 2.342 20 0 EEADMM CCOc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000830084786 601123616 /nfs/dbraw/zinc/12/36/16/601123616.db2.gz MHNRANWOTDMKNF-ZDUSSCGKSA-N -1 1 335.404 2.098 20 0 EEADMM C[C@@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])N(C)C ZINC000832803053 601137076 /nfs/dbraw/zinc/13/70/76/601137076.db2.gz AXBWCFCIDVGKID-SUMWQHHRSA-N -1 1 328.412 2.149 20 0 EEADMM C[C@@H](C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])N(C)C ZINC000832803789 601137268 /nfs/dbraw/zinc/13/72/68/601137268.db2.gz YGLMHCSFWNKJKA-XJKSGUPXSA-N -1 1 328.412 2.149 20 0 EEADMM COC[C@]1(C)CC(=O)N(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])C1 ZINC000831661107 601300994 /nfs/dbraw/zinc/30/09/94/601300994.db2.gz ZPBUOUQJMCTNAL-DNVCBOLYSA-N -1 1 348.443 2.052 20 0 EEADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832704083 601402576 /nfs/dbraw/zinc/40/25/76/601402576.db2.gz WMSDXPKWCDKRST-UHFFFAOYSA-N -1 1 340.382 2.070 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000833175177 601438425 /nfs/dbraw/zinc/43/84/25/601438425.db2.gz NCBHDWUHKPMADS-CQSZACIVSA-N -1 1 325.365 2.229 20 0 EEADMM CCC1CCC(NCC(=O)NCc2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC000829101536 601495218 /nfs/dbraw/zinc/49/52/18/601495218.db2.gz QRFYBAOQJAFHTA-UHFFFAOYSA-N -1 1 348.443 2.325 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@]2(CCOC2)C1 ZINC000832918354 601662762 /nfs/dbraw/zinc/66/27/62/601662762.db2.gz UUEGODVYUQVVHR-UGSOOPFHSA-N -1 1 332.400 2.133 20 0 EEADMM C[C@H]1CN(C)c2ccccc2N(Cc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000824976932 607520663 /nfs/dbraw/zinc/52/06/63/607520663.db2.gz PLLRGDBXSHZGDR-ZDUSSCGKSA-N -1 1 335.415 2.354 20 0 EEADMM C[C@H]1CN(C)c2ccccc2N(Cc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000824976932 607520665 /nfs/dbraw/zinc/52/06/65/607520665.db2.gz PLLRGDBXSHZGDR-ZDUSSCGKSA-N -1 1 335.415 2.354 20 0 EEADMM O=[S@](Cc1ccc(Cl)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826496506 607528731 /nfs/dbraw/zinc/52/87/31/607528731.db2.gz YOLSYUWMSFSBMR-JOCHJYFZSA-N -1 1 333.804 2.364 20 0 EEADMM O=[S@](Cc1ccc(Cl)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826496506 607528733 /nfs/dbraw/zinc/52/87/33/607528733.db2.gz YOLSYUWMSFSBMR-JOCHJYFZSA-N -1 1 333.804 2.364 20 0 EEADMM CCO[C@@H](C)c1noc(CSCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000825577251 607535681 /nfs/dbraw/zinc/53/56/81/607535681.db2.gz UOYIGRBQZMSXMX-VIFPVBQESA-N -1 1 347.404 2.176 20 0 EEADMM CCO[C@@H](C)c1noc(CSCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000825577251 607535683 /nfs/dbraw/zinc/53/56/83/607535683.db2.gz UOYIGRBQZMSXMX-VIFPVBQESA-N -1 1 347.404 2.176 20 0 EEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1C[C@H]2CCC[C@H]21 ZINC000830901780 602207684 /nfs/dbraw/zinc/20/76/84/602207684.db2.gz LYOQIGQHYPAXQE-CKEIUWERSA-N -1 1 341.411 2.206 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1O ZINC000826467420 607598689 /nfs/dbraw/zinc/59/86/89/607598689.db2.gz VPDOAHXXADWATK-UHFFFAOYSA-N -1 1 347.334 2.478 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1O ZINC000826467420 607598691 /nfs/dbraw/zinc/59/86/91/607598691.db2.gz VPDOAHXXADWATK-UHFFFAOYSA-N -1 1 347.334 2.478 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000832845590 604328679 /nfs/dbraw/zinc/32/86/79/604328679.db2.gz IBABSYGYJONQFU-UHFFFAOYSA-N -1 1 330.319 2.275 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000830582002 604520469 /nfs/dbraw/zinc/52/04/69/604520469.db2.gz UZRDQGYBXXUUEP-GJZGRUSLSA-N -1 1 337.395 2.077 20 0 EEADMM CN(C(=O)CN(CCCC(=O)[O-])Cc1ccccc1)c1nccs1 ZINC000830478810 604783551 /nfs/dbraw/zinc/78/35/51/604783551.db2.gz WWPRABSXGGAVAO-UHFFFAOYSA-N -1 1 347.440 2.473 20 0 EEADMM O=C([O-])[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 ZINC000833166806 604991896 /nfs/dbraw/zinc/99/18/96/604991896.db2.gz UXQQMZZWSRZPOM-AWEZNQCLSA-N -1 1 334.759 2.422 20 0 EEADMM CCc1nc([C@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)n[nH]1 ZINC000833672989 605022334 /nfs/dbraw/zinc/02/23/34/605022334.db2.gz GSMIHZCVNRRWMY-JTQLQIEISA-N -1 1 346.391 2.060 20 0 EEADMM CN(C(=O)CN[C@H](CCO)c1ccccc1)c1ccccc1C(=O)[O-] ZINC000833685141 605068192 /nfs/dbraw/zinc/06/81/92/605068192.db2.gz BLTJXVQVNWGGFT-MRXNPFEDSA-N -1 1 342.395 2.061 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000833767422 605078496 /nfs/dbraw/zinc/07/84/96/605078496.db2.gz FCDVQHFZYRDPQX-KURKYZTESA-N -1 1 349.390 2.479 20 0 EEADMM CCOc1ccc(CCC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833664766 605104089 /nfs/dbraw/zinc/10/40/89/605104089.db2.gz ZRWHQFXWDOCHPB-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833479494 605135511 /nfs/dbraw/zinc/13/55/11/605135511.db2.gz MUQHXAAMHSJDJG-QWHCGFSZSA-N -1 1 349.435 2.070 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833610873 605137642 /nfs/dbraw/zinc/13/76/42/605137642.db2.gz YKUCSEYZIFIHSA-ILXRZTDVSA-N -1 1 325.453 2.003 20 0 EEADMM C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCN1CCC(=O)[O-] ZINC000833617581 605252951 /nfs/dbraw/zinc/25/29/51/605252951.db2.gz FGKHCKMUUHQDRJ-AWEZNQCLSA-N -1 1 348.418 2.255 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1cccc(F)c1 ZINC000833514533 605278367 /nfs/dbraw/zinc/27/83/67/605278367.db2.gz SQBVYACLOWXFRI-KGLIPLIRSA-N -1 1 336.407 2.327 20 0 EEADMM CS[C@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826225421 607764126 /nfs/dbraw/zinc/76/41/26/607764126.db2.gz BPEZZKLXRSKEIL-SECBINFHSA-N -1 1 346.416 2.040 20 0 EEADMM CS[C@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826225421 607764127 /nfs/dbraw/zinc/76/41/27/607764127.db2.gz BPEZZKLXRSKEIL-SECBINFHSA-N -1 1 346.416 2.040 20 0 EEADMM Cc1cccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822289116 606161341 /nfs/dbraw/zinc/16/13/41/606161341.db2.gz RRODBJVWJFKART-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM Cc1cccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000822289116 606161343 /nfs/dbraw/zinc/16/13/43/606161343.db2.gz RRODBJVWJFKART-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821043372 606170070 /nfs/dbraw/zinc/17/00/70/606170070.db2.gz OIHOYGLQEZBHSN-JQWIXIFHSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821043372 606170071 /nfs/dbraw/zinc/17/00/71/606170071.db2.gz OIHOYGLQEZBHSN-JQWIXIFHSA-N -1 1 332.412 2.081 20 0 EEADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000821492070 606210195 /nfs/dbraw/zinc/21/01/95/606210195.db2.gz FORJLYLEWWPNID-UHFFFAOYSA-N -1 1 347.375 2.369 20 0 EEADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)Nc2cccc(Cl)c21 ZINC000823542647 606394728 /nfs/dbraw/zinc/39/47/28/606394728.db2.gz XQGSUCQAEKBKQO-NSHDSACASA-N -1 1 332.776 2.436 20 0 EEADMM Clc1ccc(NCCn2cnc3ccccc32)nc1-c1nnn[n-]1 ZINC000822579250 606463514 /nfs/dbraw/zinc/46/35/14/606463514.db2.gz ZHSNEEWFJMWOEO-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Clc1ccc(NCCn2cnc3ccccc32)nc1-c1nn[n-]n1 ZINC000822579250 606463515 /nfs/dbraw/zinc/46/35/15/606463515.db2.gz ZHSNEEWFJMWOEO-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000822233360 606565024 /nfs/dbraw/zinc/56/50/24/606565024.db2.gz NDKAWYYWRSFMTD-SNVBAGLBSA-N -1 1 345.384 2.043 20 0 EEADMM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000822233360 606565025 /nfs/dbraw/zinc/56/50/25/606565025.db2.gz NDKAWYYWRSFMTD-SNVBAGLBSA-N -1 1 345.384 2.043 20 0 EEADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166966 606592138 /nfs/dbraw/zinc/59/21/38/606592138.db2.gz VEODBSQHUYKCOY-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166966 606592140 /nfs/dbraw/zinc/59/21/40/606592140.db2.gz VEODBSQHUYKCOY-SNVBAGLBSA-N -1 1 349.803 2.045 20 0 EEADMM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820293240 606651693 /nfs/dbraw/zinc/65/16/93/606651693.db2.gz JNEVOABVEXBFMY-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820293240 606651694 /nfs/dbraw/zinc/65/16/94/606651694.db2.gz JNEVOABVEXBFMY-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM Clc1cccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)c1 ZINC000822582132 606655135 /nfs/dbraw/zinc/65/51/35/606655135.db2.gz QNCRQGHDIDMXIJ-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM Clc1cccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)c1 ZINC000822582132 606655136 /nfs/dbraw/zinc/65/51/36/606655136.db2.gz QNCRQGHDIDMXIJ-UHFFFAOYSA-N -1 1 327.735 2.420 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820957730 607036739 /nfs/dbraw/zinc/03/67/39/607036739.db2.gz PRMFSJVDAWNVKP-NWDGAFQWSA-N -1 1 335.433 2.252 20 0 EEADMM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820957730 607036741 /nfs/dbraw/zinc/03/67/41/607036741.db2.gz PRMFSJVDAWNVKP-NWDGAFQWSA-N -1 1 335.433 2.252 20 0 EEADMM CCS[C@@H](C)c1noc(CN(C)c2cccc(-c3nnn[n-]3)n2)n1 ZINC000821448885 607043156 /nfs/dbraw/zinc/04/31/56/607043156.db2.gz PDPHHGOLYZOGJC-VIFPVBQESA-N -1 1 346.420 2.095 20 0 EEADMM CCS[C@@H](C)c1noc(CN(C)c2cccc(-c3nn[n-]n3)n2)n1 ZINC000821448885 607043158 /nfs/dbraw/zinc/04/31/58/607043158.db2.gz PDPHHGOLYZOGJC-VIFPVBQESA-N -1 1 346.420 2.095 20 0 EEADMM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822596507 607107063 /nfs/dbraw/zinc/10/70/63/607107063.db2.gz NBRXWHTUWYPBPO-UHFFFAOYSA-N -1 1 344.187 2.221 20 0 EEADMM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822596507 607107065 /nfs/dbraw/zinc/10/70/65/607107065.db2.gz NBRXWHTUWYPBPO-UHFFFAOYSA-N -1 1 344.187 2.221 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826338212 607836160 /nfs/dbraw/zinc/83/61/60/607836160.db2.gz NZGLZXNSMIWMCQ-QMMMGPOBSA-N -1 1 342.359 2.309 20 0 EEADMM COc1ccccc1OCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826220805 607865401 /nfs/dbraw/zinc/86/54/01/607865401.db2.gz AQTOBGAHHFXZKD-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM COc1ccccc1OCCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826220805 607865402 /nfs/dbraw/zinc/86/54/02/607865402.db2.gz AQTOBGAHHFXZKD-UHFFFAOYSA-N -1 1 330.319 2.472 20 0 EEADMM OCCOc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826510424 608185173 /nfs/dbraw/zinc/18/51/73/608185173.db2.gz QCIHETXPAXHFMR-UHFFFAOYSA-N -1 1 338.780 2.091 20 0 EEADMM OCCOc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826510424 608185174 /nfs/dbraw/zinc/18/51/74/608185174.db2.gz QCIHETXPAXHFMR-UHFFFAOYSA-N -1 1 338.780 2.091 20 0 EEADMM COc1ccc(CCNc2nc(-c3nn[n-]n3)ccc2C)cc1OC ZINC000826192711 608541270 /nfs/dbraw/zinc/54/12/70/608541270.db2.gz XXJRYMWZCXDUNX-UHFFFAOYSA-N -1 1 340.387 2.242 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NCCCc1nc2ccccc2[nH]1 ZINC000826280475 608544423 /nfs/dbraw/zinc/54/44/23/608544423.db2.gz CWTVUMKOXYHACA-UHFFFAOYSA-N -1 1 334.387 2.491 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000824092975 608738402 /nfs/dbraw/zinc/73/84/02/608738402.db2.gz CNZGLBJRBVPRPM-LBPRGKRZSA-N -1 1 333.392 2.156 20 0 EEADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000824092975 608738403 /nfs/dbraw/zinc/73/84/03/608738403.db2.gz CNZGLBJRBVPRPM-LBPRGKRZSA-N -1 1 333.392 2.156 20 0 EEADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000825626595 608761987 /nfs/dbraw/zinc/76/19/87/608761987.db2.gz NDCYMLLONNTWHZ-UHFFFAOYSA-N -1 1 343.318 2.362 20 0 EEADMM c1nc2c(n1-c1ccccc1)CCN(c1cccc(-c3nnn[n-]3)n1)C2 ZINC000826519771 609318329 /nfs/dbraw/zinc/31/83/29/609318329.db2.gz NICNIHNZCHBFGR-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM c1nc2c(n1-c1ccccc1)CCN(c1cccc(-c3nn[n-]n3)n1)C2 ZINC000826519771 609318331 /nfs/dbraw/zinc/31/83/31/609318331.db2.gz NICNIHNZCHBFGR-UHFFFAOYSA-N -1 1 344.382 2.010 20 0 EEADMM O=C(N[N-]C(=O)c1ccc(Br)cc1F)NC1CCCC1 ZINC000049430984 674582785 /nfs/dbraw/zinc/58/27/85/674582785.db2.gz LQASOJZUKJOUGU-UHFFFAOYSA-N -1 1 344.184 2.475 20 0 EEADMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866845425 674602453 /nfs/dbraw/zinc/60/24/53/674602453.db2.gz HDXATLLOJJTWJK-QPUJVOFHSA-N -1 1 341.260 2.464 20 0 EEADMM CCN(Cc1ccccc1Cl)C(=O)Cc1sc(N)nc1[O-] ZINC000079488423 675437155 /nfs/dbraw/zinc/43/71/55/675437155.db2.gz MSCJBPSBFKXKGW-NSHDSACASA-N -1 1 325.821 2.035 20 0 EEADMM O=C(C=C1CCCCC1)NC1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[n-]1 ZINC001021205390 675823356 /nfs/dbraw/zinc/82/33/56/675823356.db2.gz NPNYLWHMIBSKGD-GOOCMWNKSA-N -1 1 345.447 2.012 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000891327068 676387826 /nfs/dbraw/zinc/38/78/26/676387826.db2.gz FNQOGXLPORUEAS-OCCSQVGLSA-N -1 1 346.456 2.297 20 0 EEADMM COCc1nc(N(C)CC(=O)Nc2cccc(C)c2C)cc(=O)[n-]1 ZINC000891488819 676673366 /nfs/dbraw/zinc/67/33/66/676673366.db2.gz BTJIKTPJBJUCPV-UHFFFAOYSA-N -1 1 330.388 2.020 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C1(C(F)(F)F)CCOCC1 ZINC000891612984 676722578 /nfs/dbraw/zinc/72/25/78/676722578.db2.gz FOIUTUWTWLECKT-UHFFFAOYSA-N -1 1 345.321 2.359 20 0 EEADMM O=C([N-]c1nc2c(c(=O)[nH]1)CCCC2)C(F)(F)c1nccs1 ZINC000891618546 676726552 /nfs/dbraw/zinc/72/65/52/676726552.db2.gz PUYPKZQOZYLUJM-UHFFFAOYSA-N -1 1 326.328 2.248 20 0 EEADMM CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891623225 676732207 /nfs/dbraw/zinc/73/22/07/676732207.db2.gz JRDOLQZXRSVTJW-CQSZACIVSA-N -1 1 346.431 2.181 20 0 EEADMM O=C(CCOC1CCOCC1)Nc1nc(Br)ccc1[O-] ZINC000121587221 678762332 /nfs/dbraw/zinc/76/23/32/678762332.db2.gz DCMOROCJJRCJGB-UHFFFAOYSA-N -1 1 345.193 2.074 20 0 EEADMM CCC[C@H](NCC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC000262321936 679133343 /nfs/dbraw/zinc/13/33/43/679133343.db2.gz VYOJHNYTGANOIO-INIZCTEOSA-N -1 1 332.444 2.458 20 0 EEADMM CCC[C@H](NCC(=O)N(C)CCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000262325116 679134380 /nfs/dbraw/zinc/13/43/80/679134380.db2.gz WTDJWTAIMWHHKC-AWEZNQCLSA-N -1 1 342.823 2.020 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1(F)CCCC1 ZINC000984799705 685274409 /nfs/dbraw/zinc/27/44/09/685274409.db2.gz LVNBGCOMBGVZLJ-QWHCGFSZSA-N -1 1 349.406 2.179 20 0 EEADMM COCc1nc(N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)cc(=O)[n-]1 ZINC000894105040 681225647 /nfs/dbraw/zinc/22/56/47/681225647.db2.gz DOUFTMVKUFYWHE-WQGACYEGSA-N -1 1 347.419 2.134 20 0 EEADMM CC(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982798431 681255315 /nfs/dbraw/zinc/25/53/15/681255315.db2.gz HMVWHEUBVNFUTE-CYBMUJFWSA-N -1 1 333.432 2.048 20 0 EEADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-])C1CCCC1 ZINC000937362865 681346803 /nfs/dbraw/zinc/34/68/03/681346803.db2.gz NQMCBTRCVWHKMG-AWEZNQCLSA-N -1 1 331.416 2.088 20 0 EEADMM Cc1cc(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])co1 ZINC000937368309 681387374 /nfs/dbraw/zinc/38/73/74/681387374.db2.gz KSKJBZQZXMVRES-AWEZNQCLSA-N -1 1 343.383 2.113 20 0 EEADMM Cn1c(CNC(=O)c2cc(F)ccc2Br)n[n-]c1=S ZINC000066634615 681761648 /nfs/dbraw/zinc/76/16/48/681761648.db2.gz YROBUJMAWKFFHD-UHFFFAOYSA-N -1 1 345.197 2.309 20 0 EEADMM CCn1c(CNC(=O)c2cc(-c3ccccc3)n[nH]2)n[n-]c1=S ZINC000066636052 681762604 /nfs/dbraw/zinc/76/26/04/681762604.db2.gz XEKRLOQQCSBIDS-UHFFFAOYSA-N -1 1 328.401 2.281 20 0 EEADMM CC1(C)CC[C@@H](C(=O)N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000983250761 682116032 /nfs/dbraw/zinc/11/60/32/682116032.db2.gz CCUGXYWLNFSOCC-ZIAGYGMSSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C1)C1CCCC1 ZINC000973199126 682296645 /nfs/dbraw/zinc/29/66/45/682296645.db2.gz PYFFIHINXZYWCK-HDJSIYSDSA-N -1 1 345.443 2.381 20 0 EEADMM Cc1nc(CN2CCC[C@@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)co1 ZINC001025398430 682673474 /nfs/dbraw/zinc/67/34/74/682673474.db2.gz USSSCICJVVFHBV-TZMCWYRMSA-N -1 1 344.415 2.114 20 0 EEADMM CC(C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000983584776 682896855 /nfs/dbraw/zinc/89/68/55/682896855.db2.gz KCUXWFPKIZDREW-CABCVRRESA-N -1 1 343.427 2.445 20 0 EEADMM CCCC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973719142 683131592 /nfs/dbraw/zinc/13/15/92/683131592.db2.gz ILZNFRHWJYXYOS-KBPBESRZSA-N -1 1 331.416 2.040 20 0 EEADMM COCc1nc(N2CC(Cc3cc(OC)cc(OC)c3)C2)cc(=O)[n-]1 ZINC000892878919 683164773 /nfs/dbraw/zinc/16/47/73/683164773.db2.gz DHMGANPYGIXLGJ-UHFFFAOYSA-N -1 1 345.399 2.025 20 0 EEADMM Cc1cc(C)c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000974056840 684270208 /nfs/dbraw/zinc/27/02/08/684270208.db2.gz MWLKOAOSFYBUFR-TXEJJXNPSA-N -1 1 345.424 2.156 20 0 EEADMM CC[C@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974058419 684271843 /nfs/dbraw/zinc/27/18/43/684271843.db2.gz XPWGXCFOWWZTHC-XQLPTFJDSA-N -1 1 345.443 2.381 20 0 EEADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896464975 684988596 /nfs/dbraw/zinc/98/85/96/684988596.db2.gz PMAOFKVMGJNSNZ-JQLIAFOBSA-N -1 1 333.409 2.233 20 0 EEADMM CO[C@@H]1CCOC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000897123445 686167668 /nfs/dbraw/zinc/16/76/68/686167668.db2.gz LRBNWBFKVPERSR-ZIAGYGMSSA-N -1 1 330.388 2.077 20 0 EEADMM CC(C)[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516819 686287342 /nfs/dbraw/zinc/28/73/42/686287342.db2.gz VVYRCKRWHBTKOK-ZIAGYGMSSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000975225798 686319443 /nfs/dbraw/zinc/31/94/43/686319443.db2.gz PKRISYIAZHECLZ-CQSZACIVSA-N -1 1 343.427 2.256 20 0 EEADMM CC1(C)CC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000975257454 686363584 /nfs/dbraw/zinc/36/35/84/686363584.db2.gz OPIWGXBQTYCVBP-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCCC[C@@H]1O ZINC000866916119 686424793 /nfs/dbraw/zinc/42/47/93/686424793.db2.gz PTABKKLBGHOHEK-GXFFZTMASA-N -1 1 336.816 2.094 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC000975945127 687192822 /nfs/dbraw/zinc/19/28/22/687192822.db2.gz LKERUNXEYOSNSN-LSDHHAIUSA-N -1 1 343.427 2.183 20 0 EEADMM CC(C)c1ccccc1C(=O)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC000990975366 694140092 /nfs/dbraw/zinc/14/00/92/694140092.db2.gz QGZKUONRVHUBTM-UHFFFAOYSA-N -1 1 339.395 2.165 20 0 EEADMM O=S(=O)([N-]C[C@H]1CSCCS1)c1ccc(C(F)F)o1 ZINC000866936866 688121371 /nfs/dbraw/zinc/12/13/71/688121371.db2.gz YPKZBPKUVHSZET-ZETCQYMHSA-N -1 1 329.415 2.344 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC001029962245 688709196 /nfs/dbraw/zinc/70/91/96/688709196.db2.gz DSJSTZRFJWNQJV-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H](NC(=O)c1ccco1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000986855985 688978830 /nfs/dbraw/zinc/97/88/30/688978830.db2.gz MEBHUSYPJJOZRJ-GFCCVEGCSA-N -1 1 343.383 2.051 20 0 EEADMM CC[C@@H]1C[C@H]1C(=O)N1CCC([C@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC000987026229 689245030 /nfs/dbraw/zinc/24/50/30/689245030.db2.gz SQOQCQFIEPCAPQ-GZBFAFLISA-N -1 1 345.443 2.190 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2)co1 ZINC000163375228 689352273 /nfs/dbraw/zinc/35/22/73/689352273.db2.gz WOTKWHLTWSCNKF-UHFFFAOYSA-N -1 1 329.761 2.198 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979207962 694284277 /nfs/dbraw/zinc/28/42/77/694284277.db2.gz YGPOOOFGSMIZIA-APIJFGDWSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)c1cccc(C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)[C@@H]2C)c1 ZINC000987316718 689598518 /nfs/dbraw/zinc/59/85/18/689598518.db2.gz JOLGTWRGTVIJPQ-SWLSCSKDSA-N -1 1 343.431 2.027 20 0 EEADMM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000263403500 689801491 /nfs/dbraw/zinc/80/14/91/689801491.db2.gz HDGRTSGGELCDIO-LBPRGKRZSA-N -1 1 328.372 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O=C(c1c([O-])ccc2ccccc21)N1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001270164825 1184892135 /nfs/dbraw/zinc/89/21/35/1184892135.db2.gz BVRDHNDWNYYHFT-INIZCTEOSA-N -1 1 348.402 2.406 20 0 EEADMM CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c([O-])cnc2ccccc21 ZINC001270205183 1184917292 /nfs/dbraw/zinc/91/72/92/1184917292.db2.gz YKELFAPMXUJDJO-LJQANCHMSA-N -1 1 339.395 2.167 20 0 EEADMM O=C(c1ccc(F)c(=O)[n-]1)N1CCC[C@@]12CCN(C1CCCC1)C2=O ZINC001271743126 1186454946 /nfs/dbraw/zinc/45/49/46/1186454946.db2.gz SYNDENBTRRBRTE-SFHVURJKSA-N -1 1 347.390 2.076 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945457096 1193434115 /nfs/dbraw/zinc/43/41/15/1193434115.db2.gz VIOFFQVYVUHQJL-OCCSQVGLSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(C[C@H]1CC=CCC1)N1CCCCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088362520 1186671826 /nfs/dbraw/zinc/67/18/26/1186671826.db2.gz UFQHQWWHPGPQGP-LSDHHAIUSA-N -1 1 347.463 2.118 20 0 EEADMM C[C@]1(O)CN[C@H](c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)C1 ZINC001211935645 1187429234 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CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(Cc2csc(C)n2)C1 ZINC001033813009 1195322814 /nfs/dbraw/zinc/32/28/14/1195322814.db2.gz HPCKJQMUZMQXKR-CQSZACIVSA-N -1 1 346.456 2.289 20 0 EEADMM Cc1nc(CN2CCCC[C@H](NC(=O)c3ncccc3[O-])C2)c(C)o1 ZINC001034182169 1195923524 /nfs/dbraw/zinc/92/35/24/1195923524.db2.gz SERNCFXADCAOGX-AWEZNQCLSA-N -1 1 344.415 2.177 20 0 EEADMM Cc1coc(C(=O)N2C[C@H](NC(=O)c3ncccc3[O-])CC[C@@H]2C)c1 ZINC001018105171 1224341886 /nfs/dbraw/zinc/34/18/86/1224341886.db2.gz QIQPAIPRYOLPEM-QWHCGFSZSA-N -1 1 343.383 2.112 20 0 EEADMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N2CCCCC2)cc1 ZINC000123564606 1197679371 /nfs/dbraw/zinc/67/93/71/1197679371.db2.gz LUGOKVSRKQVMIX-MRXNPFEDSA-N -1 1 338.473 2.310 20 0 EEADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(C)(C)C ZINC000815012429 1197827399 /nfs/dbraw/zinc/82/73/99/1197827399.db2.gz DLLKYPRUNHQIOD-MRVPVSSYSA-N -1 1 327.372 2.399 20 0 EEADMM C[C@@H]1CN(C(=O)[C@@H](N)c2cccc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000864613387 1197837495 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EEADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCN1C(=O)c1ncccc1[O-] ZINC001011679621 1224509379 /nfs/dbraw/zinc/50/93/79/1224509379.db2.gz OHLQBLITEKPGGY-TZMCWYRMSA-N -1 1 345.443 2.333 20 0 EEADMM CC(C)(C)[C@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C12CCC(CC1)CC2 ZINC001411217837 1198927269 /nfs/dbraw/zinc/92/72/69/1198927269.db2.gz ATXLXBSDVZUXEE-XYEKJYRLSA-N -1 1 349.479 2.101 20 0 EEADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000875151859 1199153683 /nfs/dbraw/zinc/15/36/83/1199153683.db2.gz NRUJVNDWLNZSJU-PWSUYJOCSA-N -1 1 335.370 2.133 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C[C@H](C)NCc2ncoc2C(C)C)c1[O-] ZINC001134091029 1199306092 /nfs/dbraw/zinc/30/60/92/1199306092.db2.gz PGJSPMBHGDQKEP-QWRGUYRKSA-N -1 1 349.435 2.222 20 0 EEADMM Cc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000810204811 1199375253 /nfs/dbraw/zinc/37/52/53/1199375253.db2.gz ZPSIDMWULOYIGY-NSHDSACASA-N -1 1 344.337 2.312 20 0 EEADMM C[C@H]1CCC[C@@H](CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)C1 ZINC000869373426 1200049171 /nfs/dbraw/zinc/04/91/71/1200049171.db2.gz LVDUOEIRSBWONV-WDEREUQCSA-N -1 1 337.338 2.384 20 0 EEADMM CN(CC(F)(F)F)C(=O)COC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736883 1200245879 /nfs/dbraw/zinc/24/58/79/1200245879.db2.gz UITSIAIWBVKAJT-UHFFFAOYSA-N -1 1 339.697 2.152 20 0 EEADMM CSc1cncc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811855908 1200361487 /nfs/dbraw/zinc/36/14/87/1200361487.db2.gz AYBBVIDXMNLBEB-VIFPVBQESA-N -1 1 334.367 2.093 20 0 EEADMM COCc1cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)ncn1 ZINC000866125755 1201440748 /nfs/dbraw/zinc/44/07/48/1201440748.db2.gz PNCVMXCPSOESPO-UHFFFAOYSA-N -1 1 348.834 2.304 20 0 EEADMM CCOC(=O)[C@H](CC1CC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000866332019 1201494331 /nfs/dbraw/zinc/49/43/31/1201494331.db2.gz RDURQWYOYFSXQE-ZDUSSCGKSA-N -1 1 325.792 2.436 20 0 EEADMM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]Cc1nc(C2CC2)no1 ZINC000866549632 1201545957 /nfs/dbraw/zinc/54/59/57/1201545957.db2.gz XVYDJSQRSHWLSY-UHFFFAOYSA-N -1 1 345.783 2.359 20 0 EEADMM 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O=C([O-])c1ccc(Br)cc1CN1CCC[C@@H](CO)C1 ZINC001602314373 1350491534 /nfs/dbraw/zinc/49/15/34/1350491534.db2.gz CQWPACZJSOOJOQ-SNVBAGLBSA-N -1 1 328.206 2.352 20 0 EEADMM Brc1ccnc(NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001602680195 1350571930 /nfs/dbraw/zinc/57/19/30/1350571930.db2.gz UFMKUTLPNIIDNH-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccnc(NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001602680195 1350571934 /nfs/dbraw/zinc/57/19/34/1350571934.db2.gz UFMKUTLPNIIDNH-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001603583964 1350725593 /nfs/dbraw/zinc/72/55/93/1350725593.db2.gz CJJJCHNILOLUNJ-SNVBAGLBSA-N -1 1 342.790 2.276 20 0 EEADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001603583964 1350725594 /nfs/dbraw/zinc/72/55/94/1350725594.db2.gz CJJJCHNILOLUNJ-SNVBAGLBSA-N -1 1 342.790 2.276 20 0 EEADMM CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001604179733 1350885724 /nfs/dbraw/zinc/88/57/24/1350885724.db2.gz AGFVXYRXGJPYQM-UHFFFAOYSA-N -1 1 328.376 2.479 20 0 EEADMM CCCCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001604179733 1350885726 /nfs/dbraw/zinc/88/57/26/1350885726.db2.gz AGFVXYRXGJPYQM-UHFFFAOYSA-N -1 1 328.376 2.479 20 0 EEADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)nc1C ZINC001605856270 1351238193 /nfs/dbraw/zinc/23/81/93/1351238193.db2.gz JVFLGSJVUYOFPD-UHFFFAOYSA-N -1 1 332.371 2.434 20 0 EEADMM Cc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)nc1C ZINC001605856270 1351238196 /nfs/dbraw/zinc/23/81/96/1351238196.db2.gz JVFLGSJVUYOFPD-UHFFFAOYSA-N -1 1 332.371 2.434 20 0 EEADMM CCc1nc(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)sc1C(=O)[O-] ZINC001605854453 1351237496 /nfs/dbraw/zinc/23/74/96/1351237496.db2.gz ZMHHEYSREBSTGJ-HQJQHLMTSA-N -1 1 334.401 2.431 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CN2CCO[C@@H](CCc3ccccc3)C2)C1(F)F ZINC001608596002 1351722525 /nfs/dbraw/zinc/72/25/25/1351722525.db2.gz GYFFHKVUUFIVTO-KKUMJFAQSA-N -1 1 325.355 2.286 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CN1C[C@@H](Cc3ccccc3)CC1=O)CC2 ZINC001608608636 1351725218 /nfs/dbraw/zinc/72/52/18/1351725218.db2.gz KFCPKUCPLGHNDL-IRXDYDNUSA-N -1 1 342.439 2.222 20 0 EEADMM O=C([O-])[C@H]1c2ccccc2OCCN1C[C@@H]1COc2ccccc2O1 ZINC001608656370 1351735182 /nfs/dbraw/zinc/73/51/82/1351735182.db2.gz SXPXEZWPHIODNU-FZKQIMNGSA-N -1 1 341.363 2.347 20 0 EEADMM O=C([O-])c1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)on1 ZINC001608836513 1351774979 /nfs/dbraw/zinc/77/49/79/1351774979.db2.gz GTBGIRKIHRBVMU-HNNXBMFYSA-N -1 1 343.383 2.330 20 0 EEADMM Cc1cn(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c2ccccc12 ZINC001318084766 1332469475 /nfs/dbraw/zinc/46/94/75/1332469475.db2.gz LCTZZWADVBAMAB-SFHVURJKSA-N -1 1 346.394 2.369 20 0 EEADMM O=C([O-])c1ccc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)nn1 ZINC001608905425 1351791086 /nfs/dbraw/zinc/79/10/86/1351791086.db2.gz ZRQAVSYEXGCFBX-SREVYHEPSA-N -1 1 339.760 2.241 20 0 EEADMM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(-c3nnc[nH]3)cc1)CC2 ZINC001608922902 1351795345 /nfs/dbraw/zinc/79/53/45/1351795345.db2.gz BCBHFRLPFUUFKT-UHFFFAOYSA-N -1 1 348.362 2.368 20 0 EEADMM Cn1ncc2cc(S(=O)(=O)[N-]c3ccc4ncccc4c3)cnc21 ZINC001320567830 1332912109 /nfs/dbraw/zinc/91/21/09/1332912109.db2.gz LBDWZEXFJVIVAV-UHFFFAOYSA-N -1 1 339.380 2.317 20 0 EEADMM CC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)o2)c2ccccc21 ZINC001609062363 1351828255 /nfs/dbraw/zinc/82/82/55/1351828255.db2.gz FOCIQUAUFQAWOL-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM CC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)o2)c2ccccc21 ZINC001609062363 1351828259 /nfs/dbraw/zinc/82/82/59/1351828259.db2.gz FOCIQUAUFQAWOL-UHFFFAOYSA-N -1 1 338.371 2.223 20 0 EEADMM CC(C)[C@@H](C)N(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609087306 1351836374 /nfs/dbraw/zinc/83/63/74/1351836374.db2.gz QOFVVPGXYSGBJT-MRVPVSSYSA-N -1 1 342.325 2.397 20 0 EEADMM C[C@H](COc1ccccc1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001609114899 1351849210 /nfs/dbraw/zinc/84/92/10/1351849210.db2.gz BEFCJDWGKCJWQH-SNVBAGLBSA-N -1 1 345.384 2.082 20 0 EEADMM C[C@H](COc1ccccc1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001609114899 1351849212 /nfs/dbraw/zinc/84/92/12/1351849212.db2.gz BEFCJDWGKCJWQH-SNVBAGLBSA-N -1 1 345.384 2.082 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001609115412 1351850430 /nfs/dbraw/zinc/85/04/30/1351850430.db2.gz XBAOZUIARBFHGF-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM C[C@H](COCC(F)(F)F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001609115412 1351850434 /nfs/dbraw/zinc/85/04/34/1351850434.db2.gz XBAOZUIARBFHGF-SCSAIBSYSA-N -1 1 342.734 2.356 20 0 EEADMM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)[C@@H](O)C(C)C ZINC001325348415 1333868890 /nfs/dbraw/zinc/86/88/90/1333868890.db2.gz HQOYAOCDTDPVHF-CABZTGNLSA-N -1 1 341.260 2.462 20 0 EEADMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609177597 1351877537 /nfs/dbraw/zinc/87/75/37/1351877537.db2.gz ZGNWBOFMYOWMAQ-GMSGAONNSA-N -1 1 333.339 2.080 20 0 EEADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnc(Cl)cc1Cl)C(C)(C)O ZINC001326257600 1334054013 /nfs/dbraw/zinc/05/40/13/1334054013.db2.gz SBHIOEXKFNXIET-NSHDSACASA-N -1 1 341.260 2.462 20 0 EEADMM CN(C1CCCCCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609271162 1351917222 /nfs/dbraw/zinc/91/72/22/1351917222.db2.gz ZJINOPBFLWAKCA-UHFFFAOYSA-N -1 1 339.421 2.193 20 0 EEADMM CN(CCOc1ccccc1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609276499 1351918922 /nfs/dbraw/zinc/91/89/22/1351918922.db2.gz QOWZVAQTQRTBLU-UHFFFAOYSA-N -1 1 336.808 2.492 20 0 EEADMM CN(CCOc1ccccc1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609276499 1351918924 /nfs/dbraw/zinc/91/89/24/1351918924.db2.gz QOWZVAQTQRTBLU-UHFFFAOYSA-N -1 1 336.808 2.492 20 0 EEADMM CNc1nnc(Sc2nc(Cl)c(-c3nn[n-]n3)s2)s1 ZINC001609291943 1351923531 /nfs/dbraw/zinc/92/35/31/1351923531.db2.gz JVTPIEFOVUCHNO-UHFFFAOYSA-N -1 1 332.827 2.021 20 0 EEADMM CO[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC001609310230 1351927960 /nfs/dbraw/zinc/92/79/60/1351927960.db2.gz FANSTLFXOGLBNO-LLVKDONJSA-N -1 1 347.375 2.185 20 0 EEADMM CO[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC001609310230 1351927963 /nfs/dbraw/zinc/92/79/63/1351927963.db2.gz FANSTLFXOGLBNO-LLVKDONJSA-N -1 1 347.375 2.185 20 0 EEADMM COc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)o3)sc2c1 ZINC001609360103 1351946851 /nfs/dbraw/zinc/94/68/51/1351946851.db2.gz FNNKMRCINYQJMR-UHFFFAOYSA-N -1 1 342.340 2.330 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(c3ccccc3F)CC2)n1 ZINC001609391559 1351956822 /nfs/dbraw/zinc/95/68/22/1351956822.db2.gz NMQCUXXCPYONDM-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(c3ccccc3F)CC2)n1 ZINC001609391559 1351956823 /nfs/dbraw/zinc/95/68/23/1351956823.db2.gz NMQCUXXCPYONDM-UHFFFAOYSA-N -1 1 339.378 2.488 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)[C@H](C)c3ccc(F)cc3F)nc2n1 ZINC001331459528 1335017435 /nfs/dbraw/zinc/01/74/35/1335017435.db2.gz ARGWCDUFMONHOB-MRVPVSSYSA-N -1 1 347.325 2.000 20 0 EEADMM Cc1ccccc1C(=O)COC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001609434874 1351975027 /nfs/dbraw/zinc/97/50/27/1351975027.db2.gz LKVNKVYWRXRTGI-UHFFFAOYSA-N -1 1 340.314 2.354 20 0 EEADMM Cc1ccccc1C(=O)COC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001609434874 1351975029 /nfs/dbraw/zinc/97/50/29/1351975029.db2.gz LKVNKVYWRXRTGI-UHFFFAOYSA-N -1 1 340.314 2.354 20 0 EEADMM Cc1nc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2o1 ZINC001609455150 1351984543 /nfs/dbraw/zinc/98/45/43/1351984543.db2.gz YIPICUNDPFINDG-UHFFFAOYSA-N -1 1 336.311 2.068 20 0 EEADMM Cc1nc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2o1 ZINC001609455150 1351984547 /nfs/dbraw/zinc/98/45/47/1351984547.db2.gz YIPICUNDPFINDG-UHFFFAOYSA-N -1 1 336.311 2.068 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCOc2ccccc21 ZINC001609467599 1351988516 /nfs/dbraw/zinc/98/85/16/1351988516.db2.gz MSDOOMSHGPUDGX-ZDUSSCGKSA-N -1 1 339.355 2.412 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCOc2ccccc21 ZINC001609467599 1351988520 /nfs/dbraw/zinc/98/85/20/1351988520.db2.gz MSDOOMSHGPUDGX-ZDUSSCGKSA-N -1 1 339.355 2.412 20 0 EEADMM O=C(c1ccc(I)cc1[O-])N1CC(F)(F)C1 ZINC001331788445 1335642603 /nfs/dbraw/zinc/64/26/03/1335642603.db2.gz WEMRKJSIUVXENO-UHFFFAOYSA-N -1 1 339.079 2.088 20 0 EEADMM CN1CCN(c2ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc2)CC1 ZINC001332204990 1335765469 /nfs/dbraw/zinc/76/54/69/1335765469.db2.gz WEOLHLBWTHKJCE-UHFFFAOYSA-N -1 1 333.432 2.268 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC(C2CCOCC2)CC1 ZINC001609584768 1352027495 /nfs/dbraw/zinc/02/74/95/1352027495.db2.gz HBOKDMGMMGJBEB-UHFFFAOYSA-N -1 1 347.444 2.207 20 0 EEADMM O=C1CCCN1c1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609588562 1352028109 /nfs/dbraw/zinc/02/81/09/1352028109.db2.gz WAYBBDJVOQOKRH-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM O=C1CCCN1c1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609588562 1352028115 /nfs/dbraw/zinc/02/81/15/1352028115.db2.gz WAYBBDJVOQOKRH-UHFFFAOYSA-N -1 1 335.371 2.001 20 0 EEADMM c1ncn(Cc2ccccc2)c1COc1cccnc1-c1nnn[n-]1 ZINC001609617326 1352040450 /nfs/dbraw/zinc/04/04/50/1352040450.db2.gz JUNZHISLSHPXNE-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1ncn(Cc2ccccc2)c1COc1cccnc1-c1nn[n-]n1 ZINC001609617326 1352040456 /nfs/dbraw/zinc/04/04/56/1352040456.db2.gz JUNZHISLSHPXNE-UHFFFAOYSA-N -1 1 333.355 2.086 20 0 EEADMM c1ncc(-c2nn[n-]n2)c(NCCCc2nc3c(s2)CCCC3)n1 ZINC001609620890 1352043035 /nfs/dbraw/zinc/04/30/35/1352043035.db2.gz ILSPRABLZLOQNJ-UHFFFAOYSA-N -1 1 342.432 2.037 20 0 EEADMM C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(CC(=O)[O-])CC1 ZINC001609635299 1352047039 /nfs/dbraw/zinc/04/70/39/1352047039.db2.gz VAJXFWUJWKYNQF-BBRMVZONSA-N -1 1 346.427 2.202 20 0 EEADMM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001609637531 1352047360 /nfs/dbraw/zinc/04/73/60/1352047360.db2.gz ZPUFNFBPWMLLNX-QFYYESIMSA-N -1 1 326.343 2.479 20 0 EEADMM CON(C(=O)c1cc(I)ccc1[O-])C(C)C ZINC001334305025 1336236588 /nfs/dbraw/zinc/23/65/88/1336236588.db2.gz SSMFLXPOGDKEJK-UHFFFAOYSA-N -1 1 335.141 2.409 20 0 EEADMM CC[C@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@@H](C)O1 ZINC001339680911 1337052297 /nfs/dbraw/zinc/05/22/97/1337052297.db2.gz PIRQGAFCEXKGRC-ZJUUUORDSA-N -1 1 337.811 2.240 20 0 EEADMM C[C@@H]1c2cc(F)cc(F)c2CCN1c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001339940863 1337100216 /nfs/dbraw/zinc/10/02/16/1337100216.db2.gz SIEXGWIMVKGIRY-MRVPVSSYSA-N -1 1 346.341 2.313 20 0 EEADMM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001609915060 1352119239 /nfs/dbraw/zinc/11/92/39/1352119239.db2.gz ZEHVKLGPDWGZTO-UHFFFAOYSA-N -1 1 334.328 2.287 20 0 EEADMM CCOc1ccc([N-]S(=O)(=O)c2cnc3c(cnn3C)c2)cc1 ZINC001342989682 1337325658 /nfs/dbraw/zinc/32/56/58/1337325658.db2.gz GWABWVCNYLLCER-UHFFFAOYSA-N -1 1 332.385 2.168 20 0 EEADMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(C(=O)[O-])cc1F ZINC001610019825 1352142571 /nfs/dbraw/zinc/14/25/71/1352142571.db2.gz WAZHEHMNPDNIFG-ZIAGYGMSSA-N -1 1 339.363 2.066 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)C[C@H]1OC ZINC001349331915 1337617808 /nfs/dbraw/zinc/61/78/08/1337617808.db2.gz VUEHHSXCOHIQTP-NXEZZACHSA-N -1 1 325.434 2.103 20 0 EEADMM CCOc1ccc([C@@H](C)NCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001610041017 1352148148 /nfs/dbraw/zinc/14/81/48/1352148148.db2.gz OUENLCXROOVLAH-GFCCVEGCSA-N -1 1 343.383 2.468 20 0 EEADMM O=c1[n-]c(C2CC2)ncc1-c1nnc(N2CC=CCC2)n1CC1CC1 ZINC001350472215 1337716437 /nfs/dbraw/zinc/71/64/37/1337716437.db2.gz OGIMRVXVYILMKU-UHFFFAOYSA-N -1 1 338.415 2.494 20 0 EEADMM CN(C)[C@@H](CNC(=O)c1ccoc1CC(=O)[O-])c1cccc(F)c1 ZINC001610097733 1352161684 /nfs/dbraw/zinc/16/16/84/1352161684.db2.gz LNINAFANROCHPY-AWEZNQCLSA-N -1 1 334.347 2.079 20 0 EEADMM O=C([N-]OC[C@H]1CCOC1)[C@H]1CCCCN1Cc1cccc(F)c1 ZINC001351898019 1337863822 /nfs/dbraw/zinc/86/38/22/1337863822.db2.gz JRUBJCJDIMFFGJ-DOTOQJQBSA-N -1 1 336.407 2.265 20 0 EEADMM CNC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001610144223 1352173093 /nfs/dbraw/zinc/17/30/93/1352173093.db2.gz TWJAKPCIMKPONF-MRXNPFEDSA-N -1 1 330.359 2.409 20 0 EEADMM COC(=O)c1cc(C(=O)[O-])n(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC001610195355 1352182672 /nfs/dbraw/zinc/18/26/72/1352182672.db2.gz LQCVIZZWMVGYSP-QGZVFWFLSA-N -1 1 333.388 2.148 20 0 EEADMM C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339773 1338681722 /nfs/dbraw/zinc/68/17/22/1338681722.db2.gz OJNUBZLYKTVROI-WISYIIOYSA-N -1 1 348.365 2.050 20 0 EEADMM Cc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC001610441798 1352222891 /nfs/dbraw/zinc/22/28/91/1352222891.db2.gz NDAXHPGWSXBDMY-OAHLLOKOSA-N -1 1 349.431 2.172 20 0 EEADMM CCc1occc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001428566344 1339572242 /nfs/dbraw/zinc/57/22/42/1339572242.db2.gz HYTHWOGFWWILFH-NEPJUHHUSA-N -1 1 345.399 2.270 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C(C)(C)CC(C)C ZINC001429557617 1339943343 /nfs/dbraw/zinc/94/33/43/1339943343.db2.gz NEVXNXGOBUSLNR-UHFFFAOYSA-N -1 1 335.448 2.438 20 0 EEADMM C[C@@H](C(=O)N(C)c1nn[n-]n1)c1cccc(C(=O)c2ccccc2)c1 ZINC001617642494 1352343015 /nfs/dbraw/zinc/34/30/15/1352343015.db2.gz RFPRCOVONCCRPH-GFCCVEGCSA-N -1 1 335.367 2.197 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccc(C)c1F ZINC001432657234 1341354744 /nfs/dbraw/zinc/35/47/44/1341354744.db2.gz WQYRHKUCOZMJEM-GFCCVEGCSA-N -1 1 345.374 2.173 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccnc1 ZINC001575318762 1343775253 /nfs/dbraw/zinc/77/52/53/1343775253.db2.gz GEXWWJRMYINTKJ-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM C[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccnc1 ZINC001575318762 1343775260 /nfs/dbraw/zinc/77/52/60/1343775260.db2.gz GEXWWJRMYINTKJ-QMMMGPOBSA-N -1 1 330.298 2.031 20 0 EEADMM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155986 1344096435 /nfs/dbraw/zinc/09/64/35/1344096435.db2.gz IREJJZLQXJEPSU-PWSUYJOCSA-N -1 1 330.392 2.425 20 0 EEADMM CC[C@H]1CCCC[C@@H]1CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577156011 1344096498 /nfs/dbraw/zinc/09/64/98/1344096498.db2.gz IYPOYJMCVNRYGV-NWDGAFQWSA-N -1 1 344.419 2.222 20 0 EEADMM CCCCC(=O)NC[C@H](CC)Nc1snc(C)c1-c1nn[n-]n1 ZINC001577416436 1344145428 /nfs/dbraw/zinc/14/54/28/1344145428.db2.gz GYVUPMYHXQMZRX-JTQLQIEISA-N -1 1 337.453 2.129 20 0 EEADMM CCOc1ccccc1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001578403915 1344273791 /nfs/dbraw/zinc/27/37/91/1344273791.db2.gz GIARRUUGVFTWHY-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM CCOc1ccccc1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001578403915 1344273794 /nfs/dbraw/zinc/27/37/94/1344273794.db2.gz GIARRUUGVFTWHY-UHFFFAOYSA-N -1 1 325.332 2.304 20 0 EEADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1-c1nn[nH]n1 ZINC001580042391 1344456032 /nfs/dbraw/zinc/45/60/32/1344456032.db2.gz YARPJBGMHYFPKW-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM COc1cccc(CNC(=O)c2ccsc2-c2nnn[n-]2)c1C ZINC001580070636 1344463921 /nfs/dbraw/zinc/46/39/21/1344463921.db2.gz VOMUHXJXWMSPLX-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM COc1cccc(CNC(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001580070636 1344463927 /nfs/dbraw/zinc/46/39/27/1344463927.db2.gz VOMUHXJXWMSPLX-UHFFFAOYSA-N -1 1 329.385 2.175 20 0 EEADMM Cc1ccccc1C[C@H](C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001581258289 1344607997 /nfs/dbraw/zinc/60/79/97/1344607997.db2.gz HLNAWJVKFXZHOL-ZDUSSCGKSA-N -1 1 336.399 2.065 20 0 EEADMM Cc1ccccc1C[C@H](C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001581258289 1344608002 /nfs/dbraw/zinc/60/80/02/1344608002.db2.gz HLNAWJVKFXZHOL-ZDUSSCGKSA-N -1 1 336.399 2.065 20 0 EEADMM O=C(CC1(C(F)(F)F)CC1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581959833 1344688763 /nfs/dbraw/zinc/68/87/63/1344688763.db2.gz VIABYCRMQICVAB-UHFFFAOYSA-N -1 1 331.323 2.277 20 0 EEADMM O=C(NC1(c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(F)c([O-])c1 ZINC001582245153 1344718135 /nfs/dbraw/zinc/71/81/35/1344718135.db2.gz YDFXQBFIEWGHHH-UHFFFAOYSA-N -1 1 339.330 2.131 20 0 EEADMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccsc1-c1nnn[n-]1 ZINC001582327426 1344731750 /nfs/dbraw/zinc/73/17/50/1344731750.db2.gz DZSLORIFSCJYTC-LLVKDONJSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccsc1-c1nn[n-]n1 ZINC001582327426 1344731756 /nfs/dbraw/zinc/73/17/56/1344731756.db2.gz DZSLORIFSCJYTC-LLVKDONJSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1ccsc1-c1nnn[n-]1 ZINC001582526968 1344757970 /nfs/dbraw/zinc/75/79/70/1344757970.db2.gz GYVTXPPRUPAUDI-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(NCCc1cccc(F)c1F)c1ccsc1-c1nn[n-]n1 ZINC001582526968 1344757975 /nfs/dbraw/zinc/75/79/75/1344757975.db2.gz GYVTXPPRUPAUDI-UHFFFAOYSA-N -1 1 335.339 2.179 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ncccn1 ZINC001582745120 1344788473 /nfs/dbraw/zinc/78/84/73/1344788473.db2.gz STIMMJIIJUKLOO-LLVKDONJSA-N -1 1 341.400 2.086 20 0 EEADMM CCC(C)(C)OCC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848338694 1373135916 /nfs/dbraw/zinc/13/59/16/1373135916.db2.gz RMILEXAIMUKZBF-GHMZBOCLSA-N -1 1 338.370 2.250 20 0 EEADMM COc1ccccc1-c1cc(C(=O)[N-]c2nnn(C(C)C)n2)no1 ZINC001584910470 1348771073 /nfs/dbraw/zinc/77/10/73/1348771073.db2.gz AMYUHWCMKGSMEJ-UHFFFAOYSA-N -1 1 328.332 2.170 20 0 EEADMM CC(=Cc1ccc(Cl)nc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588770044 1348932893 /nfs/dbraw/zinc/93/28/93/1348932893.db2.gz DPGJSGLUFIOXNM-ALCCZGGFSA-N -1 1 329.751 2.280 20 0 EEADMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccco1 ZINC001588769385 1348933345 /nfs/dbraw/zinc/93/33/45/1348933345.db2.gz USPMBXLTUOPEDI-CSKARUKUSA-N -1 1 341.375 2.453 20 0 EEADMM CC(=CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccco1 ZINC001588769385 1348933349 /nfs/dbraw/zinc/93/33/49/1348933349.db2.gz USPMBXLTUOPEDI-CSKARUKUSA-N -1 1 341.375 2.453 20 0 EEADMM C[C@H](C(=O)OC(C)(C)C)c1noc(-c2csc(-c3nn[n-]n3)c2)n1 ZINC001589027526 1348953074 /nfs/dbraw/zinc/95/30/74/1348953074.db2.gz OEKIRCFUDZYCEC-ZETCQYMHSA-N -1 1 348.388 2.423 20 0 EEADMM CC(C)(C)C(C)(C)CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001589085883 1348957260 /nfs/dbraw/zinc/95/72/60/1348957260.db2.gz LQJPLVIYRSAOKB-UHFFFAOYSA-N -1 1 343.478 2.279 20 0 EEADMM CC(C)(C)C1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001589103727 1348959698 /nfs/dbraw/zinc/95/96/98/1348959698.db2.gz UJHCBJGBVPIHQW-UHFFFAOYSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(C)C1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001589103727 1348959702 /nfs/dbraw/zinc/95/97/02/1348959702.db2.gz UJHCBJGBVPIHQW-UHFFFAOYSA-N -1 1 328.420 2.089 20 0 EEADMM CC(C)(C)O[C@H]1C[C@H](Nc2ncncc2-c2nn[n-]n2)C12CCC2 ZINC001589193396 1348968738 /nfs/dbraw/zinc/96/87/38/1348968738.db2.gz RZIUSLBUTXHYIL-RYUDHWBXSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)c1n[nH]cc1C(=O)OCc1ccc(-c2nn[n-]n2)s1 ZINC001589238208 1348974203 /nfs/dbraw/zinc/97/42/03/1348974203.db2.gz OEIYTRWVZIFDGF-UHFFFAOYSA-N -1 1 332.389 2.306 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001589248889 1348975252 /nfs/dbraw/zinc/97/52/52/1348975252.db2.gz BZNYBHMCERFTPI-GARJFASQSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001589248889 1348975255 /nfs/dbraw/zinc/97/52/55/1348975255.db2.gz BZNYBHMCERFTPI-GARJFASQSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001589430519 1348989657 /nfs/dbraw/zinc/98/96/57/1348989657.db2.gz ZNRNXPVYTQALQH-LBPRGKRZSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)[C@@](C)(O)CNc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001589430519 1348989662 /nfs/dbraw/zinc/98/96/62/1348989662.db2.gz ZNRNXPVYTQALQH-LBPRGKRZSA-N -1 1 330.314 2.099 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001589489934 1348995545 /nfs/dbraw/zinc/99/55/45/1348995545.db2.gz DXMMFVUXUPDMBG-MGPLVRAMSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001589489934 1348995548 /nfs/dbraw/zinc/99/55/48/1348995548.db2.gz DXMMFVUXUPDMBG-MGPLVRAMSA-N -1 1 335.358 2.443 20 0 EEADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(-c3nnn[n-]3)n2)CCO1 ZINC001589500286 1348997290 /nfs/dbraw/zinc/99/72/90/1348997290.db2.gz YYQYVFLDIILKSJ-DGCLKSJQSA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(-c3nn[n-]n3)n2)CCO1 ZINC001589500286 1348997291 /nfs/dbraw/zinc/99/72/91/1348997291.db2.gz YYQYVFLDIILKSJ-DGCLKSJQSA-N -1 1 330.392 2.042 20 0 EEADMM CC(C)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589772252 1349035357 /nfs/dbraw/zinc/03/53/57/1349035357.db2.gz HHJQIRQXFUXXHD-UHFFFAOYSA-N -1 1 334.357 2.351 20 0 EEADMM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)C1CCC(F)CC1 ZINC001589936114 1349069147 /nfs/dbraw/zinc/06/91/47/1349069147.db2.gz FZNQXVXVUTYTIM-WHXUTIOJSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)C1CCC(F)CC1 ZINC001589936114 1349069150 /nfs/dbraw/zinc/06/91/50/1349069150.db2.gz FZNQXVXVUTYTIM-WHXUTIOJSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1nc(C(C)(C)C)no1 ZINC001589949819 1349075273 /nfs/dbraw/zinc/07/52/73/1349075273.db2.gz QNBFYUFXUJNGDS-ZETCQYMHSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1nc(C(C)(C)C)no1 ZINC001589949819 1349075276 /nfs/dbraw/zinc/07/52/76/1349075276.db2.gz QNBFYUFXUJNGDS-ZETCQYMHSA-N -1 1 347.404 2.100 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)cc2c1OCC2 ZINC001589982302 1349091883 /nfs/dbraw/zinc/09/18/83/1349091883.db2.gz WYTXRKHYPJHXKH-QMMMGPOBSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)cc2c1OCC2 ZINC001589982302 1349091888 /nfs/dbraw/zinc/09/18/88/1349091888.db2.gz WYTXRKHYPJHXKH-QMMMGPOBSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@H]1CC(NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001590199597 1349198728 /nfs/dbraw/zinc/19/87/28/1349198728.db2.gz GIOGYPJAFUKUQB-UWVGGRQHSA-N -1 1 340.387 2.034 20 0 EEADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590219618 1349208163 /nfs/dbraw/zinc/20/81/63/1349208163.db2.gz OGEWOLDZQMSMCP-LLHIFLOGSA-N -1 1 332.433 2.020 20 0 EEADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590246244 1349223026 /nfs/dbraw/zinc/22/30/26/1349223026.db2.gz BJBHFFZYAGDILH-DIFFPNOSSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590246244 1349223030 /nfs/dbraw/zinc/22/30/30/1349223030.db2.gz BJBHFFZYAGDILH-DIFFPNOSSA-N -1 1 326.404 2.367 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)[C@H]1C ZINC001590245378 1349223163 /nfs/dbraw/zinc/22/31/63/1349223163.db2.gz VUFYFPVGMBACAR-YWVKMMECSA-N -1 1 334.811 2.470 20 0 EEADMM C/C=C(/C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001590349033 1349279174 /nfs/dbraw/zinc/27/91/74/1349279174.db2.gz URYZFMULMWUGHF-KSHIFHCESA-N -1 1 347.448 2.001 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1snc(C)c1-c1nn[n-]n1 ZINC001590361584 1349286489 /nfs/dbraw/zinc/28/64/89/1349286489.db2.gz KEMFCWPHIPROBC-MWLCHTKSSA-N -1 1 349.464 2.223 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001590401357 1349304035 /nfs/dbraw/zinc/30/40/35/1349304035.db2.gz YMYPPOJPVOVZPC-XVKPBYJWSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001590401357 1349304040 /nfs/dbraw/zinc/30/40/40/1349304040.db2.gz YMYPPOJPVOVZPC-XVKPBYJWSA-N -1 1 343.313 2.360 20 0 EEADMM CC[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)Oc1cccc(F)c1 ZINC001590445478 1349326516 /nfs/dbraw/zinc/32/65/16/1349326516.db2.gz BFBWQOCDZGZGLC-GFCCVEGCSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)Oc1cccc(F)c1 ZINC001590445478 1349326527 /nfs/dbraw/zinc/32/65/27/1349326527.db2.gz BFBWQOCDZGZGLC-GFCCVEGCSA-N -1 1 343.366 2.374 20 0 EEADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001590505801 1349359053 /nfs/dbraw/zinc/35/90/53/1349359053.db2.gz CGQUMVZHBWROBM-ZJUUUORDSA-N -1 1 334.811 2.471 20 0 EEADMM CCc1nc(N[C@H](C)c2ccc(Cl)cn2)cc(-c2nnn[n-]2)n1 ZINC001590923682 1349413849 /nfs/dbraw/zinc/41/38/49/1349413849.db2.gz OIAZDPDBXVRPIW-MRVPVSSYSA-N -1 1 330.783 2.441 20 0 EEADMM CCc1nc(N[C@H](C)c2ccc(Cl)cn2)cc(-c2nn[n-]n2)n1 ZINC001590923682 1349413860 /nfs/dbraw/zinc/41/38/60/1349413860.db2.gz OIAZDPDBXVRPIW-MRVPVSSYSA-N -1 1 330.783 2.441 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)c1 ZINC001591034554 1349432901 /nfs/dbraw/zinc/43/29/01/1349432901.db2.gz FJDHSTKGOKLFQB-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM CN(C)c1cccc([C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)c1 ZINC001591034554 1349432907 /nfs/dbraw/zinc/43/29/07/1349432907.db2.gz FJDHSTKGOKLFQB-OAHLLOKOSA-N -1 1 336.403 2.064 20 0 EEADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591159722 1349442726 /nfs/dbraw/zinc/44/27/26/1349442726.db2.gz BPOOTZJVBZMGSE-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001591159722 1349442727 /nfs/dbraw/zinc/44/27/27/1349442727.db2.gz BPOOTZJVBZMGSE-DTORHVGOSA-N -1 1 327.314 2.214 20 0 EEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001591346163 1349466547 /nfs/dbraw/zinc/46/65/47/1349466547.db2.gz RSSGJMJIDJDMSX-OCBAZWNDSA-N -1 1 348.410 2.275 20 0 EEADMM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001591346163 1349466548 /nfs/dbraw/zinc/46/65/48/1349466548.db2.gz RSSGJMJIDJDMSX-OCBAZWNDSA-N -1 1 348.410 2.275 20 0 EEADMM Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cnc1C(F)F ZINC001592018963 1349583093 /nfs/dbraw/zinc/58/30/93/1349583093.db2.gz WYKITOUPJMTFFZ-UHFFFAOYSA-N -1 1 345.313 2.084 20 0 EEADMM Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cnc1C(F)F ZINC001592018963 1349583102 /nfs/dbraw/zinc/58/31/02/1349583102.db2.gz WYKITOUPJMTFFZ-UHFFFAOYSA-N -1 1 345.313 2.084 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC001592132558 1349593954 /nfs/dbraw/zinc/59/39/54/1349593954.db2.gz RLXXZXGAQCYNQI-UHFFFAOYSA-N -1 1 340.387 2.179 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(C)(C)c1ccc(C)cn1 ZINC001592132558 1349593959 /nfs/dbraw/zinc/59/39/59/1349593959.db2.gz RLXXZXGAQCYNQI-UHFFFAOYSA-N -1 1 340.387 2.179 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1cc(C)ccc1F ZINC001592173945 1349601933 /nfs/dbraw/zinc/60/19/33/1349601933.db2.gz XOKFHZPXSLEEKZ-UHFFFAOYSA-N -1 1 329.335 2.488 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1cc(C)ccc1F ZINC001592173945 1349601940 /nfs/dbraw/zinc/60/19/40/1349601940.db2.gz XOKFHZPXSLEEKZ-UHFFFAOYSA-N -1 1 329.335 2.488 20 0 EEADMM Cc1[nH]nc(NC(=O)c2c[nH]cc2-c2ccccc2)c1-c1nn[n-]n1 ZINC001592329933 1349621759 /nfs/dbraw/zinc/62/17/59/1349621759.db2.gz HDZJMNTYJLXFFB-UHFFFAOYSA-N -1 1 334.343 2.146 20 0 EEADMM Cc1n[nH]cc1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC001592331573 1349622313 /nfs/dbraw/zinc/62/23/13/1349622313.db2.gz IWOUJZASIYPZAG-UHFFFAOYSA-N -1 1 344.810 2.331 20 0 EEADMM Cc1n[nH]cc1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC001592331573 1349622321 /nfs/dbraw/zinc/62/23/21/1349622321.db2.gz IWOUJZASIYPZAG-UHFFFAOYSA-N -1 1 344.810 2.331 20 0 EEADMM Cc1nsc(NC(=O)CCc2ccccc2F)c1-c1nnn[n-]1 ZINC001592478703 1349635412 /nfs/dbraw/zinc/63/54/12/1349635412.db2.gz GDFNWNYISWFSCH-UHFFFAOYSA-N -1 1 332.364 2.342 20 0 EEADMM Cc1nsc(NC(=O)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC001592478703 1349635418 /nfs/dbraw/zinc/63/54/18/1349635418.db2.gz GDFNWNYISWFSCH-UHFFFAOYSA-N -1 1 332.364 2.342 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(N(C)C)cc1 ZINC001592503660 1349640719 /nfs/dbraw/zinc/64/07/19/1349640719.db2.gz KLXKUZJPLWKBFD-UHFFFAOYSA-N -1 1 327.344 2.191 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(N(C)C)cc1 ZINC001592503660 1349640725 /nfs/dbraw/zinc/64/07/25/1349640725.db2.gz KLXKUZJPLWKBFD-UHFFFAOYSA-N -1 1 327.344 2.191 20 0 EEADMM Clc1cc2c(cc1Sc1cc(-c3nnn[n-]3)ncn1)OCCO2 ZINC001592527435 1349647401 /nfs/dbraw/zinc/64/74/01/1349647401.db2.gz QWAAKFNXFVLWKK-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cc2c(cc1Sc1cc(-c3nn[n-]n3)ncn1)OCCO2 ZINC001592527435 1349647407 /nfs/dbraw/zinc/64/74/07/1349647407.db2.gz QWAAKFNXFVLWKK-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001592616371 1349673769 /nfs/dbraw/zinc/67/37/69/1349673769.db2.gz QHDWWHPGCBRWEF-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM FC(F)(F)Cc1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001592616371 1349673775 /nfs/dbraw/zinc/67/37/75/1349673775.db2.gz QHDWWHPGCBRWEF-UHFFFAOYSA-N -1 1 335.293 2.374 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001592648443 1349694349 /nfs/dbraw/zinc/69/43/49/1349694349.db2.gz MLCUZFFNIVNAKI-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Fc1ccc(C[C@H]2CCCN2c2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001592648443 1349694353 /nfs/dbraw/zinc/69/43/53/1349694353.db2.gz MLCUZFFNIVNAKI-CYBMUJFWSA-N -1 1 325.351 2.007 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCCCc1ccc(F)cc1 ZINC001592753653 1349712751 /nfs/dbraw/zinc/71/27/51/1349712751.db2.gz YMCORDPGYUSQJI-UHFFFAOYSA-N -1 1 343.366 2.228 20 0 EEADMM Nc1cc(Cl)ccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC001592759426 1349714187 /nfs/dbraw/zinc/71/41/87/1349714187.db2.gz ZSPHIBFICKQDNZ-UHFFFAOYSA-N -1 1 330.735 2.060 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592966360 1349730868 /nfs/dbraw/zinc/73/08/68/1349730868.db2.gz YRKFVLQROPHZKH-DYVFJYSZSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(N[C@@H]1C[C@]1(F)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592966360 1349730869 /nfs/dbraw/zinc/73/08/69/1349730869.db2.gz YRKFVLQROPHZKH-DYVFJYSZSA-N -1 1 341.321 2.373 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc(-c2ccco2)on1 ZINC001593136344 1349739353 /nfs/dbraw/zinc/73/93/53/1349739353.db2.gz LRQPVMHCGXTGNX-UHFFFAOYSA-N -1 1 342.340 2.106 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593136951 1349739885 /nfs/dbraw/zinc/73/98/85/1349739885.db2.gz OYRYLCBMNXTZDS-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593136951 1349739889 /nfs/dbraw/zinc/73/98/89/1349739889.db2.gz OYRYLCBMNXTZDS-UHFFFAOYSA-N -1 1 348.288 2.211 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc2ccncc2s1 ZINC001593136444 1349739989 /nfs/dbraw/zinc/73/99/89/1349739989.db2.gz MZESDVXBXSDIFY-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1coc(-c2nnn[n-]2)c1 ZINC001593205398 1349745569 /nfs/dbraw/zinc/74/55/69/1349745569.db2.gz GYWPAXYAAFVOTI-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1coc(-c2nn[n-]n2)c1 ZINC001593205398 1349745571 /nfs/dbraw/zinc/74/55/71/1349745571.db2.gz GYWPAXYAAFVOTI-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593255432 1349751670 /nfs/dbraw/zinc/75/16/70/1349751670.db2.gz HNUHFFBYIRKYRH-NWDGAFQWSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001593255432 1349751673 /nfs/dbraw/zinc/75/16/73/1349751673.db2.gz HNUHFFBYIRKYRH-NWDGAFQWSA-N -1 1 327.392 2.352 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccnc2cc(Cl)ccc21 ZINC001593261010 1349753640 /nfs/dbraw/zinc/75/36/40/1349753640.db2.gz POGIVZWVENBRLC-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1sccc1F ZINC001593269269 1349756948 /nfs/dbraw/zinc/75/69/48/1349756948.db2.gz IBNIXZREIFWOIM-UHFFFAOYSA-N -1 1 330.757 2.430 20 0 EEADMM O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001593281892 1349760786 /nfs/dbraw/zinc/76/07/86/1349760786.db2.gz MQDLTXFPZVJVEK-HZGVNTEJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC001593281892 1349760788 /nfs/dbraw/zinc/76/07/88/1349760788.db2.gz MQDLTXFPZVJVEK-HZGVNTEJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1csc(-c2nnn[n-]2)c1 ZINC001593281537 1349760974 /nfs/dbraw/zinc/76/09/74/1349760974.db2.gz JDFZKCGZZNRZMI-HZGVNTEJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(O[C@H]([C@@H]1CCOC1)C(F)(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593281537 1349760980 /nfs/dbraw/zinc/76/09/80/1349760980.db2.gz JDFZKCGZZNRZMI-HZGVNTEJSA-N -1 1 348.306 2.052 20 0 EEADMM O=C(OC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1coc(-c2nnn[n-]2)c1 ZINC001593284853 1349763325 /nfs/dbraw/zinc/76/33/25/1349763325.db2.gz UIZZHVLSGONWQY-WPRPVWTQSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1coc(-c2nn[n-]n2)c1 ZINC001593284853 1349763331 /nfs/dbraw/zinc/76/33/31/1349763331.db2.gz UIZZHVLSGONWQY-WPRPVWTQSA-N -1 1 346.265 2.117 20 0 EEADMM O=C(OC[C@@H]1CCc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC001593286527 1349764488 /nfs/dbraw/zinc/76/44/88/1349764488.db2.gz IUGJGACTUVGJTM-JTQLQIEISA-N -1 1 327.369 2.210 20 0 EEADMM O=C(OC[C@@H]1CCc2cccnc21)c1ccc(-c2nn[n-]n2)s1 ZINC001593286527 1349764490 /nfs/dbraw/zinc/76/44/90/1349764490.db2.gz IUGJGACTUVGJTM-JTQLQIEISA-N -1 1 327.369 2.210 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001593298171 1349771322 /nfs/dbraw/zinc/77/13/22/1349771322.db2.gz YUHQXMYKSCNVJW-QWHCGFSZSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001593298171 1349771326 /nfs/dbraw/zinc/77/13/26/1349771326.db2.gz YUHQXMYKSCNVJW-QWHCGFSZSA-N -1 1 328.303 2.446 20 0 EEADMM O=C(c1ccc(OCc2ccc(-c3nnn[n-]3)o2)cc1)N1CCCC1 ZINC001593346869 1349786916 /nfs/dbraw/zinc/78/69/16/1349786916.db2.gz FIHBBWKDVGUCST-UHFFFAOYSA-N -1 1 339.355 2.275 20 0 EEADMM O=C(c1ccc(OCc2ccc(-c3nn[n-]n3)o2)cc1)N1CCCC1 ZINC001593346869 1349786921 /nfs/dbraw/zinc/78/69/21/1349786921.db2.gz FIHBBWKDVGUCST-UHFFFAOYSA-N -1 1 339.355 2.275 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC001593358095 1349789675 /nfs/dbraw/zinc/78/96/75/1349789675.db2.gz BNCMRAAHRWLLPE-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC001593358095 1349789678 /nfs/dbraw/zinc/78/96/78/1349789678.db2.gz BNCMRAAHRWLLPE-MRXNPFEDSA-N -1 1 348.410 2.499 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCC[C@@]2(CCSC2)C1 ZINC001593362852 1349790331 /nfs/dbraw/zinc/79/03/31/1349790331.db2.gz ZVWRUEKVBGPWGV-CQSZACIVSA-N -1 1 335.458 2.288 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCC[C@@]2(CCSC2)C1 ZINC001593362852 1349790334 /nfs/dbraw/zinc/79/03/34/1349790334.db2.gz ZVWRUEKVBGPWGV-CQSZACIVSA-N -1 1 335.458 2.288 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1Cc1csc(Cl)n1)CCCC2 ZINC001593490625 1349817515 /nfs/dbraw/zinc/81/75/15/1349817515.db2.gz LBAXHHZAQMFYKM-UHFFFAOYSA-N -1 1 348.819 2.065 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1C[C@@H]1CCC(F)(F)C1)CCCC2 ZINC001593492034 1349817704 /nfs/dbraw/zinc/81/77/04/1349817704.db2.gz IEDPYWHWQLKAHK-SNVBAGLBSA-N -1 1 335.358 2.343 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1cccc(Cl)n1 ZINC001593493573 1349818106 /nfs/dbraw/zinc/81/81/06/1349818106.db2.gz BIJPJVDTMDQKIP-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1ccc(Cl)c2cccnc12 ZINC001593496763 1349820545 /nfs/dbraw/zinc/82/05/45/1349820545.db2.gz XGVSVOPSIICXJR-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM OCC[C@H]1CCCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593528972 1349831871 /nfs/dbraw/zinc/83/18/71/1349831871.db2.gz CNGNMGBXZMCHFA-MRVPVSSYSA-N -1 1 328.829 2.108 20 0 EEADMM OCC[C@H]1CCCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593528972 1349831873 /nfs/dbraw/zinc/83/18/73/1349831873.db2.gz CNGNMGBXZMCHFA-MRVPVSSYSA-N -1 1 328.829 2.108 20 0 EEADMM c1c2ccccc2n2c1CN(c1nccnc1-c1nnn[n-]1)CCC2 ZINC001593580354 1349862109 /nfs/dbraw/zinc/86/21/09/1349862109.db2.gz VBQBAQOSICYPKX-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1c2ccccc2n2c1CN(c1nccnc1-c1nn[n-]n1)CCC2 ZINC001593580354 1349862111 /nfs/dbraw/zinc/86/21/11/1349862111.db2.gz VBQBAQOSICYPKX-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1ccc2c(c1)CC[C@]1(CCN(c3cccnc3-c3nnn[n-]3)C1)O2 ZINC001593581811 1349862805 /nfs/dbraw/zinc/86/28/05/1349862805.db2.gz WJFGYQHLOXIPFH-GOSISDBHSA-N -1 1 334.383 2.236 20 0 EEADMM c1ccc2c(c1)CC[C@]1(CCN(c3cccnc3-c3nn[n-]n3)C1)O2 ZINC001593581811 1349862807 /nfs/dbraw/zinc/86/28/07/1349862807.db2.gz WJFGYQHLOXIPFH-GOSISDBHSA-N -1 1 334.383 2.236 20 0 EEADMM CCc1cc(=O)n2[n-]c(NC(=O)c3cc(C)cc(Cl)c3)nc2n1 ZINC001595384214 1349885424 /nfs/dbraw/zinc/88/54/24/1349885424.db2.gz KPSGDNDSSNBOCZ-UHFFFAOYSA-N -1 1 331.763 2.194 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(Br)c1O ZINC001599878004 1349948830 /nfs/dbraw/zinc/94/88/30/1349948830.db2.gz XTRTZBKNJZAOAT-RKDXNWHRSA-N -1 1 342.189 2.480 20 0 EEADMM Cc1c(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cnn1CC(=O)[O-] ZINC001600045373 1349961352 /nfs/dbraw/zinc/96/13/52/1349961352.db2.gz GJALMBWOBRWBFW-UHFFFAOYSA-N -1 1 343.318 2.058 20 0 EEADMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1CC1CC1 ZINC001600084497 1349967844 /nfs/dbraw/zinc/96/78/44/1349967844.db2.gz NQEQRUDHZQIWGK-AWEZNQCLSA-N -1 1 347.459 2.136 20 0 EEADMM Cc1cc(C)cc(OCC[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600176013 1349986135 /nfs/dbraw/zinc/98/61/35/1349986135.db2.gz ZMJSDJMCHLNZCA-RCDNUKIMSA-N -1 1 347.411 2.180 20 0 EEADMM Cc1cc(CNCc2cccc(N3CCCC3=O)c2)[nH]c1C(=O)[O-] ZINC001600209301 1349993303 /nfs/dbraw/zinc/99/33/03/1349993303.db2.gz DXEJGUHKFPBJKD-UHFFFAOYSA-N -1 1 327.384 2.438 20 0 EEADMM Cc1cc(F)cc2[nH]c(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)cc21 ZINC001600232053 1349998076 /nfs/dbraw/zinc/99/80/76/1349998076.db2.gz YYBROTRQMLXJTJ-LBPRGKRZSA-N -1 1 347.390 2.236 20 0 EEADMM Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)on1 ZINC001600249492 1350001989 /nfs/dbraw/zinc/00/19/89/1350001989.db2.gz HPBOGHGIZAIVPL-NWDGAFQWSA-N -1 1 347.371 2.124 20 0 EEADMM Cc1cc(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001600261639 1350004978 /nfs/dbraw/zinc/00/49/78/1350004978.db2.gz GAEVASNZFGTSID-CYBMUJFWSA-N -1 1 349.431 2.002 20 0 EEADMM Cc1cc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c(C(=O)[O-])[nH]1 ZINC001600273402 1350008059 /nfs/dbraw/zinc/00/80/59/1350008059.db2.gz NUNVLGRSJLIGIR-UHFFFAOYSA-N -1 1 326.312 2.369 20 0 EEADMM Cc1cc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc(C(=O)[O-])c1 ZINC001600272971 1350008151 /nfs/dbraw/zinc/00/81/51/1350008151.db2.gz IHCYXGLDRCMHNX-NSHDSACASA-N -1 1 346.305 2.335 20 0 EEADMM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC001600373409 1350033231 /nfs/dbraw/zinc/03/32/31/1350033231.db2.gz LWZACAUZGNEZDH-CJNGLKHVSA-N -1 1 327.384 2.470 20 0 EEADMM Cc1ccc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC001600418775 1350046862 /nfs/dbraw/zinc/04/68/62/1350046862.db2.gz HBWRCOUVORDEIY-LBPRGKRZSA-N -1 1 348.424 2.191 20 0 EEADMM Cc1cccc([C@H](C)CNC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC001600514426 1350070555 /nfs/dbraw/zinc/07/05/55/1350070555.db2.gz CLWMWCQYCXIYPS-HZPDHXFCSA-N -1 1 347.459 2.289 20 0 EEADMM Cc1cccc(OCCNC(=O)CN[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001600546169 1350078919 /nfs/dbraw/zinc/07/89/19/1350078919.db2.gz WCOTUVMVPNJQCE-GOSISDBHSA-N -1 1 348.443 2.113 20 0 EEADMM Cc1nnc(SCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)[nH]1 ZINC001600799181 1350140094 /nfs/dbraw/zinc/14/00/94/1350140094.db2.gz HQGJUBUEEXNTMM-OLZOCXBDSA-N -1 1 346.412 2.025 20 0 EEADMM Cc1noc(C[C@@H](NCc2ccc(C(=O)[O-])[nH]2)c2ccccc2)n1 ZINC001600813120 1350142610 /nfs/dbraw/zinc/14/26/10/1350142610.db2.gz IXPWBAMDTSFLAG-OAHLLOKOSA-N -1 1 326.356 2.478 20 0 EEADMM Cc1noc(C2CN(Cc3c4cc(F)ccc4n(C)c3C(=O)[O-])C2)n1 ZINC001600813829 1350142628 /nfs/dbraw/zinc/14/26/28/1350142628.db2.gz RACDHDMSAJEGRT-UHFFFAOYSA-N -1 1 344.346 2.306 20 0 EEADMM Cc1sc(NC(=O)CN2CC[C@@H](C(C)(C)O)C2)c(C(=O)[O-])c1C ZINC001600886181 1350160186 /nfs/dbraw/zinc/16/01/86/1350160186.db2.gz PCAUZRFKWIMFBP-LLVKDONJSA-N -1 1 340.445 2.094 20 0 EEADMM CN1CC(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)=NC1=O ZINC001600930114 1350171314 /nfs/dbraw/zinc/17/13/14/1350171314.db2.gz LJOJCORMGMWWCY-CQSZACIVSA-N -1 1 339.351 2.225 20 0 EEADMM Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2nc(C(=O)[O-])cs2)cn1 ZINC001600944171 1350173647 /nfs/dbraw/zinc/17/36/47/1350173647.db2.gz HRDQKPHQCGYXLE-VGPLMAKISA-N -1 1 332.429 2.485 20 0 EEADMM Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2nc(C(=O)[O-])cs2)cn1 ZINC001600944171 1350173652 /nfs/dbraw/zinc/17/36/52/1350173652.db2.gz HRDQKPHQCGYXLE-VGPLMAKISA-N -1 1 332.429 2.485 20 0 EEADMM Cn1cc(CN[C@H](CC(N)=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC001600954085 1350176166 /nfs/dbraw/zinc/17/61/66/1350176166.db2.gz CUBMFWKZCCCYOA-CYBMUJFWSA-N -1 1 335.791 2.083 20 0 EEADMM O=C(C=Cc1cc(C(=O)[O-])co1)NCc1n[nH]c(-c2ccccc2)n1 ZINC001601233131 1350237430 /nfs/dbraw/zinc/23/74/30/1350237430.db2.gz JQZNZSWPVULMFM-SREVYHEPSA-N -1 1 338.323 2.093 20 0 EEADMM O=C(C=Cc1cc(C(=O)[O-])co1)NCc1nc(-c2ccccc2)n[nH]1 ZINC001601233131 1350237434 /nfs/dbraw/zinc/23/74/34/1350237434.db2.gz JQZNZSWPVULMFM-SREVYHEPSA-N -1 1 338.323 2.093 20 0 EEADMM O=C([O-])C1(NC(=O)CN2CC[C@@H](c3ccccc3)C2)CCCCC1 ZINC001601304162 1350252904 /nfs/dbraw/zinc/25/29/04/1350252904.db2.gz MVKHNMGBYMXPOW-MRXNPFEDSA-N -1 1 330.428 2.380 20 0 EEADMM O=C([O-])[C@@]1(NC(=O)c2cccc3nc(C(F)F)[nH]c32)CCSC1 ZINC001601432311 1350282826 /nfs/dbraw/zinc/28/28/26/1350282826.db2.gz PTSSSCNYAFDRQX-CQSZACIVSA-N -1 1 341.339 2.191 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3cccc(-n4ccnn4)c3)[nH]c21 ZINC001601633610 1350324874 /nfs/dbraw/zinc/32/48/74/1350324874.db2.gz YIFJEOGIWMTOMZ-UHFFFAOYSA-N -1 1 348.322 2.094 20 0 EEADMM O=C([O-])[C@H](Cc1ccc(F)cc1)N[C@H]1CCN(c2ccccc2)C1=O ZINC001601660267 1350330806 /nfs/dbraw/zinc/33/08/06/1350330806.db2.gz NPISLQZTTVXFJN-IRXDYDNUSA-N -1 1 342.370 2.217 20 0 EEADMM O=C([O-])[C@@H](Cc1cncs1)NCc1nc(C(F)(F)F)cs1 ZINC001601663563 1350331736 /nfs/dbraw/zinc/33/17/36/1350331736.db2.gz VFTYGTJKQMVDAR-SSDOTTSWSA-N -1 1 337.348 2.404 20 0 EEADMM O=C([O-])[C@]1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)C[C@H]1c1ccccc1 ZINC001601702315 1350342358 /nfs/dbraw/zinc/34/23/58/1350342358.db2.gz LFNNRCSGKVBOQA-KPZWWZAWSA-N -1 1 349.350 2.064 20 0 EEADMM O=C([O-])CCCONC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001601995899 1350413761 /nfs/dbraw/zinc/41/37/61/1350413761.db2.gz VRAGNQQXRKZQCQ-UHFFFAOYSA-N -1 1 346.170 2.096 20 0 EEADMM O=C([O-])CCCO[N-]C(=O)Cc1cn2cc(Cl)cc(Cl)c2[nH+]1 ZINC001601995899 1350413764 /nfs/dbraw/zinc/41/37/64/1350413764.db2.gz VRAGNQQXRKZQCQ-UHFFFAOYSA-N -1 1 346.170 2.096 20 0 EEADMM O=C([O-])CN(CCC(F)(F)F)C(=O)c1c[nH]c2ccccc2c1=O ZINC001602054281 1350428310 /nfs/dbraw/zinc/42/83/10/1350428310.db2.gz MMVNXJBIHUYBSV-UHFFFAOYSA-N -1 1 342.273 2.007 20 0 EEADMM O=C([O-])Cc1sccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC001602158478 1350454372 /nfs/dbraw/zinc/45/43/72/1350454372.db2.gz SITRQVRRQPROND-UHFFFAOYSA-N -1 1 333.344 2.321 20 0 EEADMM O=C([O-])c1cc(C2CCN(Cc3cccc4nccn43)CC2)no1 ZINC001602253205 1350477996 /nfs/dbraw/zinc/47/79/96/1350477996.db2.gz SUSYIIBJBCOEDQ-UHFFFAOYSA-N -1 1 326.356 2.400 20 0 EEADMM O=C([O-])c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1Br ZINC001602336724 1350497518 /nfs/dbraw/zinc/49/75/18/1350497518.db2.gz OBPXSNCBFZBLKR-HNNXBMFYSA-N -1 1 340.217 2.494 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)C(F)(F)c3nccs3)[nH]c21 ZINC001602452571 1350522248 /nfs/dbraw/zinc/52/22/48/1350522248.db2.gz KQQVTGNABSPMGW-UHFFFAOYSA-N -1 1 338.295 2.448 20 0 EEADMM O=C([O-])c1cnc([C@H]2CCCN(Cc3cnn(CCF)c3)C2)s1 ZINC001602510879 1350534746 /nfs/dbraw/zinc/53/47/46/1350534746.db2.gz JMZDHDDETUIFEP-LBPRGKRZSA-N -1 1 338.408 2.387 20 0 EEADMM CC(=O)Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)oc2C)cc1 ZINC001602916920 1350605660 /nfs/dbraw/zinc/60/56/60/1350605660.db2.gz ZKJPCQBNSXMEQF-UHFFFAOYSA-N -1 1 326.312 2.119 20 0 EEADMM CC(=O)Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)oc2C)cc1 ZINC001602916920 1350605669 /nfs/dbraw/zinc/60/56/69/1350605669.db2.gz ZKJPCQBNSXMEQF-UHFFFAOYSA-N -1 1 326.312 2.119 20 0 EEADMM CC(C)(C)[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001603068039 1350631898 /nfs/dbraw/zinc/63/18/98/1350631898.db2.gz WSPWKSHFSCSRDI-SSDOTTSWSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)(C)[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001603068039 1350631899 /nfs/dbraw/zinc/63/18/99/1350631899.db2.gz WSPWKSHFSCSRDI-SSDOTTSWSA-N -1 1 328.829 2.228 20 0 EEADMM C[C@H](C(=O)NCC(=O)[O-])N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001603161934 1350652391 /nfs/dbraw/zinc/65/23/91/1350652391.db2.gz SPWLYTUZFKUQTE-RDTXWAMCSA-N -1 1 338.407 2.223 20 0 EEADMM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC001603213708 1350663838 /nfs/dbraw/zinc/66/38/38/1350663838.db2.gz RRSBEIOJYCJWTO-SECBINFHSA-N -1 1 329.360 2.192 20 0 EEADMM CC(C)Oc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001603368822 1350696963 /nfs/dbraw/zinc/69/69/63/1350696963.db2.gz LKOMGWRUDHFSOH-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM CC(C)Oc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001603368822 1350696970 /nfs/dbraw/zinc/69/69/70/1350696970.db2.gz LKOMGWRUDHFSOH-UHFFFAOYSA-N -1 1 338.371 2.230 20 0 EEADMM C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001603576156 1350722827 /nfs/dbraw/zinc/72/28/27/1350722827.db2.gz AOLNTMBYZWRBSF-NSHDSACASA-N -1 1 341.346 2.295 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)C1 ZINC001603885043 1350792777 /nfs/dbraw/zinc/79/27/77/1350792777.db2.gz VRBOSSQRSWLXCU-QWRGUYRKSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@@H]1CCN(Cn2cccc(-c3nnn[n-]3)c2=O)[C@@H]1c1ccccc1 ZINC001603910289 1350800021 /nfs/dbraw/zinc/80/00/21/1350800021.db2.gz HSOIWAOEORNJHU-CJNGLKHVSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@@H]1CCN(Cn2cccc(-c3nn[n-]n3)c2=O)[C@@H]1c1ccccc1 ZINC001603910289 1350800024 /nfs/dbraw/zinc/80/00/24/1350800024.db2.gz HSOIWAOEORNJHU-CJNGLKHVSA-N -1 1 336.399 2.069 20 0 EEADMM C[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCc2ccc(Cl)cc21 ZINC001603941934 1350809146 /nfs/dbraw/zinc/80/91/46/1350809146.db2.gz WOSDMADDZHDEBK-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM C[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCc2ccc(Cl)cc21 ZINC001603941934 1350809149 /nfs/dbraw/zinc/80/91/49/1350809149.db2.gz WOSDMADDZHDEBK-JTQLQIEISA-N -1 1 341.806 2.476 20 0 EEADMM CC(C)c1cc([C@@H]2CCCN(C(=O)NCC3(C(=O)[O-])CC3)C2)n[nH]1 ZINC001603990353 1350822214 /nfs/dbraw/zinc/82/22/14/1350822214.db2.gz XGXOZHDLFPTGRS-GFCCVEGCSA-N -1 1 334.420 2.287 20 0 EEADMM CC[C@H](CSC)N(C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001604040315 1350837355 /nfs/dbraw/zinc/83/73/55/1350837355.db2.gz ZPEHKOXHDSBRAB-MRVPVSSYSA-N -1 1 340.840 2.129 20 0 EEADMM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)N[C@@H](CCO)c1ccco1 ZINC001604073272 1350847117 /nfs/dbraw/zinc/84/71/17/1350847117.db2.gz ZFWUBQOFTSKIIP-WFASDCNBSA-N -1 1 346.383 2.408 20 0 EEADMM CCC[C@H](C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001604134268 1350869465 /nfs/dbraw/zinc/86/94/65/1350869465.db2.gz DUEUGPOVVPEOLM-GZMMTYOYSA-N -1 1 344.341 2.490 20 0 EEADMM CCC[C@H](C)[C@@H](CO)Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001604134268 1350869466 /nfs/dbraw/zinc/86/94/66/1350869466.db2.gz DUEUGPOVVPEOLM-GZMMTYOYSA-N -1 1 344.341 2.490 20 0 EEADMM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001604270620 1350906275 /nfs/dbraw/zinc/90/62/75/1350906275.db2.gz HQDOAHWZODFTES-VIFPVBQESA-N -1 1 346.387 2.141 20 0 EEADMM C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1OCC(=O)[O-] ZINC001604323904 1350915434 /nfs/dbraw/zinc/91/54/34/1350915434.db2.gz BYGYVZMBBPRRAP-QWHCGFSZSA-N -1 1 334.416 2.200 20 0 EEADMM CCOC(=O)c1ccc(OC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001604388021 1350927330 /nfs/dbraw/zinc/92/73/30/1350927330.db2.gz IZXNRTRVGFFVJB-UHFFFAOYSA-N -1 1 344.352 2.324 20 0 EEADMM CCOC(=O)c1ccc(OC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001604388021 1350927333 /nfs/dbraw/zinc/92/73/33/1350927333.db2.gz IZXNRTRVGFFVJB-UHFFFAOYSA-N -1 1 344.352 2.324 20 0 EEADMM CCc1cccc2c(CCNc3cncc(-c4nnn[n-]4)n3)c[nH]c21 ZINC001604531174 1350956010 /nfs/dbraw/zinc/95/60/10/1350956010.db2.gz UCGPPIUDLFOVRB-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1cccc2c(CCNc3cncc(-c4nn[n-]n4)n3)c[nH]c21 ZINC001604531174 1350956012 /nfs/dbraw/zinc/95/60/12/1350956012.db2.gz UCGPPIUDLFOVRB-UHFFFAOYSA-N -1 1 334.387 2.355 20 0 EEADMM CCc1nc(NCc2ccc(C)nc2Cl)cc(-c2nnn[n-]2)n1 ZINC001604568343 1350961942 /nfs/dbraw/zinc/96/19/42/1350961942.db2.gz TTXWSNRLDVUMJH-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM CCc1nc(NCc2ccc(C)nc2Cl)cc(-c2nn[n-]n2)n1 ZINC001604568343 1350961943 /nfs/dbraw/zinc/96/19/43/1350961943.db2.gz TTXWSNRLDVUMJH-UHFFFAOYSA-N -1 1 330.783 2.188 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001604589461 1350965746 /nfs/dbraw/zinc/96/57/46/1350965746.db2.gz PKOLDTSKNDLVQF-WSNITJDQSA-N -1 1 346.305 2.020 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(CN2CCCC[C@H]2CC(=O)[O-])C1=O ZINC001604603574 1350968404 /nfs/dbraw/zinc/96/84/04/1350968404.db2.gz SRKVWHHWZXPPAP-LPHOPBHVSA-N -1 1 330.428 2.463 20 0 EEADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1oncc1C(=O)[O-] ZINC001604673425 1350982001 /nfs/dbraw/zinc/98/20/01/1350982001.db2.gz FOUBQRCQUNKHKB-MNOVXSKESA-N -1 1 339.392 2.250 20 0 EEADMM C[C@H]1C[C@@H](NCc2ccc(C(=O)[O-])n2C)C(=O)N1c1ccccc1 ZINC001604675931 1350982662 /nfs/dbraw/zinc/98/26/62/1350982662.db2.gz CAVCLKAJMLFCJO-SWLSCSKDSA-N -1 1 327.384 2.007 20 0 EEADMM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001604730657 1350993374 /nfs/dbraw/zinc/99/33/74/1350993374.db2.gz SKCSYALAGVWJSP-VXGBXAGGSA-N -1 1 337.445 2.032 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1cccc(F)c1 ZINC001604795743 1351006276 /nfs/dbraw/zinc/00/62/76/1351006276.db2.gz ZWXMLNSXXUFEOT-LLVKDONJSA-N -1 1 325.409 2.003 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1nc(Cl)ccc1Cl ZINC001604795164 1351006334 /nfs/dbraw/zinc/00/63/34/1351006334.db2.gz SPEPSJPFPFFMQR-SECBINFHSA-N -1 1 346.214 2.009 20 0 EEADMM C[C@@H](Oc1ccc(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1)C(=O)[O-] ZINC001604799830 1351008832 /nfs/dbraw/zinc/00/88/32/1351008832.db2.gz MUBDNKLHEKWOQW-HUUCEWRRSA-N -1 1 349.427 2.308 20 0 EEADMM CC[C@@](C)(NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC001604912711 1351031145 /nfs/dbraw/zinc/03/11/45/1351031145.db2.gz JKFPKGFCEJZLMF-MGPLVRAMSA-N -1 1 328.359 2.327 20 0 EEADMM COc1ccc(CNc2cc(C)nc(-c3nnn[n-]3)c2)cc1OC ZINC001605286320 1351125187 /nfs/dbraw/zinc/12/51/87/1351125187.db2.gz UZHFMRHWLSLNEQ-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1ccc(CNc2cc(C)nc(-c3nn[n-]n3)c2)cc1OC ZINC001605286320 1351125189 /nfs/dbraw/zinc/12/51/89/1351125189.db2.gz UZHFMRHWLSLNEQ-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM CCCOc1cccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC001605343966 1351141685 /nfs/dbraw/zinc/14/16/85/1351141685.db2.gz VCOHYXHVRQDKCZ-HNNXBMFYSA-N -1 1 348.443 2.025 20 0 EEADMM COc1ncc(NC(=O)N2CCCCCCCC2)cc1-c1nn[n-]n1 ZINC001605348593 1351142684 /nfs/dbraw/zinc/14/26/84/1351142684.db2.gz WCVNSUFZSJYJMY-UHFFFAOYSA-N -1 1 345.407 2.458 20 0 EEADMM CS[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001605362254 1351144424 /nfs/dbraw/zinc/14/44/24/1351144424.db2.gz XTLICBJWJATZNT-AWEZNQCLSA-N -1 1 340.412 2.329 20 0 EEADMM CS[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001605362254 1351144426 /nfs/dbraw/zinc/14/44/26/1351144426.db2.gz XTLICBJWJATZNT-AWEZNQCLSA-N -1 1 340.412 2.329 20 0 EEADMM CS[C@H](C)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC001605367584 1351145377 /nfs/dbraw/zinc/14/53/77/1351145377.db2.gz FUMWUONJEDZKCX-SECBINFHSA-N -1 1 347.400 2.467 20 0 EEADMM CS[C@H](C)COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC001605367584 1351145381 /nfs/dbraw/zinc/14/53/81/1351145381.db2.gz FUMWUONJEDZKCX-SECBINFHSA-N -1 1 347.400 2.467 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001605439395 1351158254 /nfs/dbraw/zinc/15/82/54/1351158254.db2.gz FBLUXVQTAHAWEY-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001605439395 1351158257 /nfs/dbraw/zinc/15/82/57/1351158257.db2.gz FBLUXVQTAHAWEY-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM CCN(Cc1ccccc1)C(=O)CNCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001605458040 1351162899 /nfs/dbraw/zinc/16/28/99/1351162899.db2.gz RFWBCIGBRSDFLQ-UHFFFAOYSA-N -1 1 329.400 2.160 20 0 EEADMM CCOC(=O)[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001605525836 1351180120 /nfs/dbraw/zinc/18/01/20/1351180120.db2.gz DVDWSSKKLVPUED-GFCCVEGCSA-N -1 1 341.791 2.302 20 0 EEADMM CCOC(=O)/C=C/CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001605531510 1351182239 /nfs/dbraw/zinc/18/22/39/1351182239.db2.gz NTUZTVALFIVPLJ-ISZGNANSSA-N -1 1 327.764 2.183 20 0 EEADMM Cc1cc(C)cc(OCC(=O)OCc2cccnc2-c2nnn[n-]2)c1 ZINC001605647089 1351209652 /nfs/dbraw/zinc/20/96/52/1351209652.db2.gz IFIMVRHYQQEAMU-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1cc(C)cc(OCC(=O)OCc2cccnc2-c2nn[n-]n2)c1 ZINC001605647089 1351209653 /nfs/dbraw/zinc/20/96/53/1351209653.db2.gz IFIMVRHYQQEAMU-UHFFFAOYSA-N -1 1 339.355 2.001 20 0 EEADMM Cc1cc(NCC2(NC(=O)OC(C)(C)C)CC2)nc(-c2nnn[n-]2)c1 ZINC001605731495 1351218880 /nfs/dbraw/zinc/21/88/80/1351218880.db2.gz OJWPWMQLKVVSLU-UHFFFAOYSA-N -1 1 345.407 2.039 20 0 EEADMM Cc1cc(NCC2(NC(=O)OC(C)(C)C)CC2)nc(-c2nn[n-]n2)c1 ZINC001605731495 1351218883 /nfs/dbraw/zinc/21/88/83/1351218883.db2.gz OJWPWMQLKVVSLU-UHFFFAOYSA-N -1 1 345.407 2.039 20 0 EEADMM Cc1cc(NCCN2c3ccccc3C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001605735163 1351219530 /nfs/dbraw/zinc/21/95/30/1351219530.db2.gz PLEYDYFMIXRVNJ-CYBMUJFWSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1cc(NCCN2c3ccccc3C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001605735163 1351219532 /nfs/dbraw/zinc/21/95/32/1351219532.db2.gz PLEYDYFMIXRVNJ-CYBMUJFWSA-N -1 1 335.415 2.433 20 0 EEADMM Cc1ccc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605864810 1351240376 /nfs/dbraw/zinc/24/03/76/1351240376.db2.gz NWCUWMNCQHSABB-KOLCDFICSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605864810 1351240378 /nfs/dbraw/zinc/24/03/78/1351240378.db2.gz NWCUWMNCQHSABB-KOLCDFICSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CCN(c3ccccc3F)CC2)c(-c2nnn[n-]2)n1 ZINC001605867607 1351241971 /nfs/dbraw/zinc/24/19/71/1351241971.db2.gz SHDAOLMYSXLIJH-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1ccc(N2CCN(c3ccccc3F)CC2)c(-c2nn[n-]n2)n1 ZINC001605867607 1351241974 /nfs/dbraw/zinc/24/19/74/1351241974.db2.gz SHDAOLMYSXLIJH-UHFFFAOYSA-N -1 1 339.378 2.036 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC001605888798 1351247560 /nfs/dbraw/zinc/24/75/60/1351247560.db2.gz ZSOBBGKWGCVHLJ-CYBMUJFWSA-N -1 1 339.355 2.248 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1COc2c1ccc(C)c2C ZINC001605888798 1351247565 /nfs/dbraw/zinc/24/75/65/1351247565.db2.gz ZSOBBGKWGCVHLJ-CYBMUJFWSA-N -1 1 339.355 2.248 20 0 EEADMM CN(Cc1ccc(F)cc1)C(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001606159739 1351279319 /nfs/dbraw/zinc/27/93/19/1351279319.db2.gz XPLYQRWODHTDGU-KRWDZBQOSA-N -1 1 344.386 2.070 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(F)c([C@H](C)O)c1 ZINC001606169417 1351280534 /nfs/dbraw/zinc/28/05/34/1351280534.db2.gz KSYGQYCEWVWKNF-ZETCQYMHSA-N -1 1 331.307 2.213 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(F)c([C@H](C)O)c1 ZINC001606169417 1351280535 /nfs/dbraw/zinc/28/05/35/1351280535.db2.gz KSYGQYCEWVWKNF-ZETCQYMHSA-N -1 1 331.307 2.213 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC001606169277 1351281071 /nfs/dbraw/zinc/28/10/71/1351281071.db2.gz QKCNTTKMMPEUGZ-AULYBMBSSA-N -1 1 339.355 2.108 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC001606169277 1351281078 /nfs/dbraw/zinc/28/10/78/1351281078.db2.gz QKCNTTKMMPEUGZ-AULYBMBSSA-N -1 1 339.355 2.108 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(O)c(C(C)C)c2)c1-c1nnn[n-]1 ZINC001606180498 1351282597 /nfs/dbraw/zinc/28/25/97/1351282597.db2.gz JUKJGLKNANLFFS-UHFFFAOYSA-N -1 1 342.359 2.173 20 0 EEADMM Cc1onc(CC(=O)Nc2ccc(O)c(C(C)C)c2)c1-c1nn[n-]n1 ZINC001606180498 1351282598 /nfs/dbraw/zinc/28/25/98/1351282598.db2.gz JUKJGLKNANLFFS-UHFFFAOYSA-N -1 1 342.359 2.173 20 0 EEADMM Fc1ccc(Oc2ncccc2Br)c(-c2nn[n-]n2)n1 ZINC001606322498 1351292503 /nfs/dbraw/zinc/29/25/03/1351292503.db2.gz AHUZXTUSUWULCS-UHFFFAOYSA-N -1 1 337.112 2.351 20 0 EEADMM O=C(C[C@H]1CCCC1(F)F)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606499546 1351312645 /nfs/dbraw/zinc/31/26/45/1351312645.db2.gz OWEGWDWZDJRCDY-MRVPVSSYSA-N -1 1 337.334 2.231 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)OCc1cccnc1-c1nnn[n-]1 ZINC001606509061 1351314192 /nfs/dbraw/zinc/31/41/92/1351314192.db2.gz HOZFZXVGTIEHBE-VIFPVBQESA-N -1 1 342.186 2.279 20 0 EEADMM O=C(CC[C@H]1CC1(Cl)Cl)OCc1cccnc1-c1nn[n-]n1 ZINC001606509061 1351314194 /nfs/dbraw/zinc/31/41/94/1351314194.db2.gz HOZFZXVGTIEHBE-VIFPVBQESA-N -1 1 342.186 2.279 20 0 EEADMM COC(=O)c1cc(CN2CCCC[C@@]23CCOC3)cc(C(=O)[O-])c1 ZINC001606541498 1351319615 /nfs/dbraw/zinc/31/96/15/1351319615.db2.gz BCMHVVDMGXWJEA-SFHVURJKSA-N -1 1 333.384 2.316 20 0 EEADMM O=C(COc1cccnc1-c1nnn[n-]1)Nc1cccc2ccccc21 ZINC001606579087 1351325229 /nfs/dbraw/zinc/32/52/29/1351325229.db2.gz BLLFQNXXFZVMBG-UHFFFAOYSA-N -1 1 346.350 2.432 20 0 EEADMM O=C(COc1cccnc1-c1nn[n-]n1)Nc1cccc2ccccc21 ZINC001606579087 1351325230 /nfs/dbraw/zinc/32/52/30/1351325230.db2.gz BLLFQNXXFZVMBG-UHFFFAOYSA-N -1 1 346.350 2.432 20 0 EEADMM COC(=O)c1coc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001606631426 1351334349 /nfs/dbraw/zinc/33/43/49/1351334349.db2.gz RJONFPRDGOIYQR-SECBINFHSA-N -1 1 336.369 2.210 20 0 EEADMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1coc(-c2nnn[n-]2)c1 ZINC001606634600 1351334726 /nfs/dbraw/zinc/33/47/26/1351334726.db2.gz XFAWCXIONAYANY-LBPRGKRZSA-N -1 1 347.325 2.456 20 0 EEADMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1coc(-c2nn[n-]n2)c1 ZINC001606634600 1351334727 /nfs/dbraw/zinc/33/47/27/1351334727.db2.gz XFAWCXIONAYANY-LBPRGKRZSA-N -1 1 347.325 2.456 20 0 EEADMM O=C(NC1(c2ccc(F)cc2)CC1)c1csc(-c2nn[n-]n2)c1 ZINC001606639971 1351336156 /nfs/dbraw/zinc/33/61/56/1351336156.db2.gz FTDHHWADQTXSDT-UHFFFAOYSA-N -1 1 329.360 2.486 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccsc1-c1nnn[n-]1 ZINC001606646442 1351336729 /nfs/dbraw/zinc/33/67/29/1351336729.db2.gz CYZROMWCGXJCCD-CYZMBNFOSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccsc1-c1nn[n-]n1 ZINC001606646442 1351336731 /nfs/dbraw/zinc/33/67/31/1351336731.db2.gz CYZROMWCGXJCCD-CYZMBNFOSA-N -1 1 345.428 2.006 20 0 EEADMM O=C(NCC1CC(F)(F)C1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001606718948 1351346349 /nfs/dbraw/zinc/34/63/49/1351346349.db2.gz ACEHSQRCEIXOSZ-UHFFFAOYSA-N -1 1 332.314 2.123 20 0 EEADMM CO[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2O)[C@@](C)(C(=O)[O-])C1 ZINC001606765947 1351353660 /nfs/dbraw/zinc/35/36/60/1351353660.db2.gz WZPDMYPQRDLSPM-RMLUDKJBSA-N -1 1 347.289 2.115 20 0 EEADMM O=C(Nc1ccccc1N1CCCC1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606940341 1351380821 /nfs/dbraw/zinc/38/08/21/1351380821.db2.gz TWFRSOASBBYNHA-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(Nc1ccccc1N1CCCC1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606940341 1351380825 /nfs/dbraw/zinc/38/08/25/1351380825.db2.gz TWFRSOASBBYNHA-UHFFFAOYSA-N -1 1 335.371 2.114 20 0 EEADMM O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606952687 1351383702 /nfs/dbraw/zinc/38/37/02/1351383702.db2.gz HDUYIQFLZHFYSY-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(OC[C@H]1CCC2(CCCCC2)O1)c1ccc(-c2nn[n-]n2)o1 ZINC001606967420 1351387111 /nfs/dbraw/zinc/38/71/11/1351387111.db2.gz HDYIOJJHEKMCOJ-LLVKDONJSA-N -1 1 332.360 2.498 20 0 EEADMM O=S(=O)([N-]c1ccc2c(c1)CCCC2)c1ccc(-c2nn[nH]n2)o1 ZINC001607068832 1351406393 /nfs/dbraw/zinc/40/63/93/1351406393.db2.gz BSAFENXLWHJXNF-UHFFFAOYSA-N -1 1 345.384 2.139 20 0 EEADMM O[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCC1 ZINC001607091067 1351413932 /nfs/dbraw/zinc/41/39/32/1351413932.db2.gz DGNZFVDAGZYCDT-QMMMGPOBSA-N -1 1 328.829 2.330 20 0 EEADMM O=c1c2sccc2c(-c2nn[n-]n2)cn1CC[C@H]1CCCCO1 ZINC001607090709 1351414244 /nfs/dbraw/zinc/41/42/44/1351414244.db2.gz VZXXSCFGHCIMMB-SNVBAGLBSA-N -1 1 331.401 2.202 20 0 EEADMM c1ccc([C@@H]2OCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001607129889 1351432136 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BUXGCNMTUHGEBX-UHFFFAOYSA-N -1 1 332.341 2.176 20 0 EEADMM O=C(CNS(=O)(=O)c1ccc2occc2c1)c1ccc([O-])cc1 ZINC001198895038 1368651950 /nfs/dbraw/zinc/65/19/50/1368651950.db2.gz KOTDBRFZFFUGHV-UHFFFAOYSA-N -1 1 331.349 2.300 20 0 EEADMM O=C1Cc2cccc([N-]S(=O)(=O)c3ccc4occc4c3)c2CN1 ZINC001198869342 1368653275 /nfs/dbraw/zinc/65/32/75/1368653275.db2.gz DQGHEPSKTNOXDQ-UHFFFAOYSA-N -1 1 342.376 2.406 20 0 EEADMM CCN(C(=O)C1CC2(CCC2)C1)[C@H](C)CNC(=O)c1ncccc1[O-] ZINC001488913155 1369098521 /nfs/dbraw/zinc/09/85/21/1369098521.db2.gz CCIUKCOLOZKUKK-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866430053 1369609608 /nfs/dbraw/zinc/60/96/08/1369609608.db2.gz MBXFMATYRWZKTG-UHFFFAOYSA-N -1 1 341.216 2.008 20 0 EEADMM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cccc1N1CCNC1=O ZINC000782496642 1371302714 /nfs/dbraw/zinc/30/27/14/1371302714.db2.gz ZDRMNIYCTBCFMV-UHFFFAOYSA-N -1 1 349.387 2.465 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)ccc1F ZINC000782533541 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CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001384941927 1385319095 /nfs/dbraw/zinc/31/90/95/1385319095.db2.gz AHSMYSPFBAQWCV-KFWWJZLASA-N -1 1 347.459 2.484 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@@H](C)CCC(C)(C)C ZINC001386239734 1386028789 /nfs/dbraw/zinc/02/87/89/1386028789.db2.gz NISOMUWNSOLTMT-QWHCGFSZSA-N -1 1 335.448 2.484 20 0 EEADMM CCc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001386763399 1386301790 /nfs/dbraw/zinc/30/17/90/1386301790.db2.gz FCCQVMMWYBPMAJ-CYBMUJFWSA-N -1 1 341.411 2.288 20 0 EEADMM CC1(CCC(=O)N[C@]2(C)CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001394327577 1390670901 /nfs/dbraw/zinc/67/09/01/1390670901.db2.gz SRGHSQFGFVXUAC-GOSISDBHSA-N -1 1 331.416 2.088 20 0 EEADMM CCCC[C@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001395286068 1390812017 /nfs/dbraw/zinc/81/20/17/1390812017.db2.gz QYYJCLUYHZJQSX-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)CCc1cccs1 ZINC001398091996 1391688674 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CC[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001426841636 1402221830 /nfs/dbraw/zinc/22/18/30/1402221830.db2.gz FVGBILXAVIHBJZ-KFWWJZLASA-N -1 1 347.459 2.484 20 0 EEADMM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001427439382 1402417228 /nfs/dbraw/zinc/41/72/28/1402417228.db2.gz CILSSPYKHXPHMG-STQMWFEESA-N -1 1 333.432 2.142 20 0 EEADMM CCC[C@H](C)CC(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001427499822 1402447937 /nfs/dbraw/zinc/44/79/37/1402447937.db2.gz GYWNKDHHWZUSLA-AWEZNQCLSA-N -1 1 333.432 2.288 20 0 EEADMM C[C@H](CN(C)C(=O)C1CCC2(CC2)CC1)NC(=O)c1ncccc1[O-] ZINC001427630946 1402516597 /nfs/dbraw/zinc/51/65/97/1402516597.db2.gz GAMNESVAKAWXLS-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@@H](C)c1ccco1 ZINC001431793817 1403128537 /nfs/dbraw/zinc/12/85/37/1403128537.db2.gz HGTSJQXGTROZPX-ZDUSSCGKSA-N -1 1 345.399 2.152 20 0 EEADMM C[C@]1(NC(=O)CC2CCCCC2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001434149547 1403459606 /nfs/dbraw/zinc/45/96/06/1403459606.db2.gz GAJKWJMGYBYSBT-IBGZPJMESA-N -1 1 345.443 2.478 20 0 EEADMM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574393355 1403520751 /nfs/dbraw/zinc/52/07/51/1403520751.db2.gz NENUSIQUNOUOSA-NTSWFWBYSA-N -1 1 327.801 2.143 20 0 EEADMM C[C@@H]1c2cccn2CCN1C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001576399471 1403572602 /nfs/dbraw/zinc/57/26/02/1403572602.db2.gz YLAQTANQWKSXEQ-LLVKDONJSA-N -1 1 347.382 2.367 20 0 EEADMM CCC[C@H]1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001577393690 1403644817 /nfs/dbraw/zinc/64/48/17/1403644817.db2.gz XWYCRSLCMKKTPN-QWRGUYRKSA-N -1 1 335.433 2.140 20 0 EEADMM CCCCC(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001577399162 1403646559 /nfs/dbraw/zinc/64/65/59/1403646559.db2.gz JWNBAIBCKCOBIF-MWLCHTKSSA-N -1 1 349.464 2.081 20 0 EEADMM COc1ncc(NC(=O)NC[C@@H]2CCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC001580136263 1403833106 /nfs/dbraw/zinc/83/31/06/1403833106.db2.gz NPPPCVDNHXJXLE-QWRGUYRKSA-N -1 1 345.407 2.218 20 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Cc1nsc(NC(=O)N2CCC(C(F)F)CC2)c1-c1nnn[n-]1 ZINC001606149616 1404769233 /nfs/dbraw/zinc/76/92/33/1404769233.db2.gz WXCFFURXCFWXDO-UHFFFAOYSA-N -1 1 343.363 2.141 20 0 EEADMM Cc1nsc(NC(=O)N2CCC(C(F)F)CC2)c1-c1nn[n-]n1 ZINC001606149616 1404769239 /nfs/dbraw/zinc/76/92/39/1404769239.db2.gz WXCFFURXCFWXDO-UHFFFAOYSA-N -1 1 343.363 2.141 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1OCCc2ccccc21 ZINC001606170477 1404772596 /nfs/dbraw/zinc/77/25/96/1404772596.db2.gz CEAYEFUMDXSKEX-OAHLLOKOSA-N -1 1 340.339 2.239 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1OCCc2ccccc21 ZINC001606170477 1404772601 /nfs/dbraw/zinc/77/26/01/1404772601.db2.gz CEAYEFUMDXSKEX-OAHLLOKOSA-N -1 1 340.339 2.239 20 0 EEADMM COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(Cc2c(F)ccc(C)c2F)C1 ZINC001606393042 1404806482 /nfs/dbraw/zinc/80/64/82/1404806482.db2.gz GLUGUINGVPXFOH-GWCFXTLKSA-N -1 1 327.327 2.111 20 0 EEADMM CC(C)c1ncc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)[nH]1 ZINC001646256445 1404885481 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COc1ccc(N)cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211603834 761062966 /nfs/dbraw/zinc/06/29/66/761062966.db2.gz GUAFNKFWTWABCU-UHFFFAOYSA-N -1 1 336.369 2.085 20 0 EEADMM CS[C@H](C)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000835678805 761212152 /nfs/dbraw/zinc/21/21/52/761212152.db2.gz HQJQQAMNJUIIRM-SECBINFHSA-N -1 1 335.447 2.265 20 0 EEADMM Cc1nccc(NC[C@@H](CC(C)C)NC(=O)c2ncccc2[O-])n1 ZINC001104934850 765604873 /nfs/dbraw/zinc/60/48/73/765604873.db2.gz KTSUYBOCZSLKIQ-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM CCc1cc2c(Cn3nnc(C(F)(F)F)n3)cc(=O)oc2cc1[O-] ZINC000919117443 769594283 /nfs/dbraw/zinc/59/42/83/769594283.db2.gz CXNVKLSRAMVYOF-UHFFFAOYSA-N -1 1 340.261 2.115 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)c3ncccc3[O-])C2)C1 ZINC000979670040 770819493 /nfs/dbraw/zinc/81/94/93/770819493.db2.gz AZKMCBRUFUHFOE-KBUPBQIOSA-N -1 1 345.443 2.238 20 0 EEADMM CC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000994741180 773505967 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COCCN(Cc1ccccn1)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000843771063 781496249 /nfs/dbraw/zinc/49/62/49/781496249.db2.gz DCSFOZLTUPLKEO-UHFFFAOYSA-N -1 1 344.415 2.298 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1NC(=O)C1(C)CCCC1 ZINC000945287876 783780539 /nfs/dbraw/zinc/78/05/39/783780539.db2.gz JDYRGPAGSWJMOC-ZIAGYGMSSA-N -1 1 345.443 2.334 20 0 EEADMM COc1ccc(COC(=O)CCc2c(C)nc(SC)[n-]c2=O)nc1 ZINC000816240525 783821996 /nfs/dbraw/zinc/82/19/96/783821996.db2.gz MAZHZRWZJYVTGF-UHFFFAOYSA-N -1 1 349.412 2.292 20 0 EEADMM CCC1(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](C)C2)CCC1 ZINC000945451547 784144015 /nfs/dbraw/zinc/14/40/15/784144015.db2.gz KWSVRRJCFQXMAR-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000945611042 784501052 /nfs/dbraw/zinc/50/10/52/784501052.db2.gz FFJHTKACXLPDGW-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CN(C)C(=O)Cc1coc2c1ccc(F)c2F)c1nn[n-]n1 ZINC000907348963 784575047 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O=C(Nc1cccc(C2OCCO2)c1)c1cnc(C2CC2)[n-]c1=O ZINC000907792283 784868801 /nfs/dbraw/zinc/86/88/01/784868801.db2.gz DPHPBIDWNAJMKO-UHFFFAOYSA-N -1 1 327.340 2.357 20 0 EEADMM COC(OC)[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000907943135 784975868 /nfs/dbraw/zinc/97/58/68/784975868.db2.gz GKMCHJFFULZMAX-AWEZNQCLSA-N -1 1 343.383 2.150 20 0 EEADMM CC(C)=C(F)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945922332 785054514 /nfs/dbraw/zinc/05/45/14/785054514.db2.gz WKLADBGUTMSVPE-CHWSQXEVSA-N -1 1 347.390 2.114 20 0 EEADMM C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC000908117652 785091508 /nfs/dbraw/zinc/09/15/08/785091508.db2.gz JAGAACKQYXEHQF-UHFFFAOYSA-N -1 1 338.411 2.016 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CSC)c(F)c1 ZINC000908383382 785372150 /nfs/dbraw/zinc/37/21/50/785372150.db2.gz RQLPUVPLKCVNRN-UHFFFAOYSA-N -1 1 325.402 2.393 20 0 EEADMM O=C(CCC1CCC1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000946120111 785582222 /nfs/dbraw/zinc/58/22/22/785582222.db2.gz 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C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@@H]1C ZINC000131420033 534008495 /nfs/dbraw/zinc/00/84/95/534008495.db2.gz KOVHDLBFYAXJHJ-NEPJUHHUSA-N -1 1 342.461 2.475 20 0 EEADMM Cc1nc(CN2CCN(C(=O)c3cc(F)ccc3[O-])CC2)oc1C ZINC000175218774 534356289 /nfs/dbraw/zinc/35/62/89/534356289.db2.gz HLARJFFLDQWWJF-UHFFFAOYSA-N -1 1 333.363 2.094 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000131018858 534644818 /nfs/dbraw/zinc/64/48/18/534644818.db2.gz QWKXHOLADYBIPK-GHMZBOCLSA-N -1 1 346.431 2.057 20 0 EEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)nc1)[C@@H](C)CC ZINC000173961170 528044742 /nfs/dbraw/zinc/04/47/42/528044742.db2.gz KDRJEWHYDBOAJR-GXFFZTMASA-N -1 1 348.852 2.132 20 0 EEADMM CC(C)Oc1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000414649823 528163130 /nfs/dbraw/zinc/16/31/30/528163130.db2.gz FBWIMDNLONMLKJ-IRXDYDNUSA-N -1 1 348.443 2.274 20 0 EEADMM CCOc1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000186788418 528233346 /nfs/dbraw/zinc/23/33/46/528233346.db2.gz CXSZUTBRBCQZID-GFCCVEGCSA-N -1 1 328.796 2.074 20 0 EEADMM CCCc1nc(=NCc2n[nH]c(-c3ccc(OC)cc3)n2)s[n-]1 ZINC000359915665 528690690 /nfs/dbraw/zinc/69/06/90/528690690.db2.gz XTHZEEQVUIARKI-UHFFFAOYSA-N -1 1 330.417 2.318 20 0 EEADMM CCCc1nc(=NCc2nc(-c3ccc(OC)cc3)n[nH]2)s[n-]1 ZINC000359915665 528690695 /nfs/dbraw/zinc/69/06/95/528690695.db2.gz XTHZEEQVUIARKI-UHFFFAOYSA-N -1 1 330.417 2.318 20 0 EEADMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451268248 535310296 /nfs/dbraw/zinc/31/02/96/535310296.db2.gz PKZHPVUGEFWFTI-SNVBAGLBSA-N -1 1 343.376 2.438 20 0 EEADMM CCOc1cc(C(=O)NCc2nccc(OC)n2)cc(Cl)c1[O-] ZINC000424933265 535663914 /nfs/dbraw/zinc/66/39/14/535663914.db2.gz DLCYEONANXKUKE-UHFFFAOYSA-N -1 1 337.763 2.173 20 0 EEADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CC3CCC3)c2)n1 ZINC000447670427 535730770 /nfs/dbraw/zinc/73/07/70/535730770.db2.gz JCNCKEQKEUUUDE-UHFFFAOYSA-N -1 1 342.399 2.455 20 0 EEADMM COc1cccc(C(=O)NCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666872 537084684 /nfs/dbraw/zinc/08/46/84/537084684.db2.gz QPWLSKQDQOPQNG-UHFFFAOYSA-N -1 1 334.759 2.423 20 0 EEADMM CS(=O)(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738176492 578002515 /nfs/dbraw/zinc/00/25/15/578002515.db2.gz YKNHKEHGKZFFCW-OAHLLOKOSA-N -1 1 337.372 2.145 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)[O-])C(C)C)N2CCCC2)o1 ZINC000738261052 578006582 /nfs/dbraw/zinc/00/65/82/578006582.db2.gz FGTIBWGPYRYWQN-HIFRSBDPSA-N -1 1 337.420 2.133 20 0 EEADMM O=c1c(-c2nn[n-]n2)cccn1Cc1c(Cl)ccc2cccnc21 ZINC000738372088 578011511 /nfs/dbraw/zinc/01/15/11/578011511.db2.gz NRQAFNDFBDCEON-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1nccnc1-c1nnn[n-]1 ZINC000738435879 578014985 /nfs/dbraw/zinc/01/49/85/578014985.db2.gz CYIMKRCNRCCCSH-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1nccnc1-c1nn[n-]n1 ZINC000738435879 578014986 /nfs/dbraw/zinc/01/49/86/578014986.db2.gz CYIMKRCNRCCCSH-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM Fc1ccc(N2CC[C@H](CNc3cccc(-c4nnn[n-]4)n3)C2)cc1 ZINC000737659572 576261442 /nfs/dbraw/zinc/26/14/42/576261442.db2.gz JLALHYTWFUWXKB-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM Fc1ccc(N2CC[C@H](CNc3cccc(-c4nn[n-]n4)n3)C2)cc1 ZINC000737659572 576261445 /nfs/dbraw/zinc/26/14/45/576261445.db2.gz JLALHYTWFUWXKB-GFCCVEGCSA-N -1 1 339.378 2.339 20 0 EEADMM O=C(CCn1cc[n-]c(=O)c1=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000727850654 576453864 /nfs/dbraw/zinc/45/38/64/576453864.db2.gz YTGYKQIQEMKSOG-UHFFFAOYSA-N -1 1 349.346 2.465 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(C)cc1Cl ZINC000751427263 576521135 /nfs/dbraw/zinc/52/11/35/576521135.db2.gz LXTRFMSXMMLVLW-UHFFFAOYSA-N -1 1 344.776 2.234 20 0 EEADMM O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1cc(=O)[nH][n-]1 ZINC000732289905 577167315 /nfs/dbraw/zinc/16/73/15/577167315.db2.gz ZFOIOWLDGNVDCW-UHFFFAOYSA-N -1 1 337.314 2.183 20 0 EEADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000772035053 577246428 /nfs/dbraw/zinc/24/64/28/577246428.db2.gz VEDDQRFTEDUSIO-LLVKDONJSA-N -1 1 343.383 2.020 20 0 EEADMM COc1ccccc1CNC(=O)COC(=O)c1ccc([O-])cc1F ZINC000773568279 577351947 /nfs/dbraw/zinc/35/19/47/577351947.db2.gz FVTFQIXVHIBNTH-UHFFFAOYSA-N -1 1 333.315 2.013 20 0 EEADMM O=C(OCCOC(=O)c1ccc(O)cc1F)c1ccc([O-])cc1F ZINC000773580784 577352591 /nfs/dbraw/zinc/35/25/91/577352591.db2.gz JJNKZAVQXJKAJF-UHFFFAOYSA-N -1 1 338.262 2.390 20 0 EEADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2n[n-]c(=S)n2c1 ZINC000773849784 577368576 /nfs/dbraw/zinc/36/85/76/577368576.db2.gz HPVVNELAWOLIEL-UHFFFAOYSA-N -1 1 338.348 2.377 20 0 EEADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(F)c(Br)c1 ZINC000775737580 577444380 /nfs/dbraw/zinc/44/43/80/577444380.db2.gz QOEJWLKICRLHIQ-UHFFFAOYSA-N -1 1 335.154 2.387 20 0 EEADMM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000765835705 577508063 /nfs/dbraw/zinc/50/80/63/577508063.db2.gz CBBRJDCJQWAGBI-ZETCQYMHSA-N -1 1 325.670 2.269 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)nc1Cl ZINC000769832709 577585536 /nfs/dbraw/zinc/58/55/36/577585536.db2.gz GUDPEMHPPXMXAH-UHFFFAOYSA-N -1 1 337.792 2.264 20 0 EEADMM CCC(CC)n1nccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000770190839 577592209 /nfs/dbraw/zinc/59/22/09/577592209.db2.gz ZVSCVAPNZQABQY-UHFFFAOYSA-N -1 1 343.383 2.358 20 0 EEADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000761337930 577682206 /nfs/dbraw/zinc/68/22/06/577682206.db2.gz VVZPQWJRYYVFFF-UHFFFAOYSA-N -1 1 327.784 2.238 20 0 EEADMM O=S(=O)(Cc1ccccc1Cl)[N-][C@@H]1CCCCC12OCCO2 ZINC000759758389 577649597 /nfs/dbraw/zinc/64/95/97/577649597.db2.gz QGZMRTHAGRYHCU-CQSZACIVSA-N -1 1 345.848 2.445 20 0 EEADMM CCOc1cc(C(=O)NC[C@@H]2COC(C)(C)O2)cc(Cl)c1[O-] ZINC000762621764 577704721 /nfs/dbraw/zinc/70/47/21/577704721.db2.gz LSMHHLWUNDJKFO-SNVBAGLBSA-N -1 1 329.780 2.326 20 0 EEADMM CC(=O)Nc1nc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cs1 ZINC000744702186 577901707 /nfs/dbraw/zinc/90/17/07/577901707.db2.gz VZIIXJUEFDOPCK-UHFFFAOYSA-N -1 1 348.380 2.409 20 0 EEADMM Cc1ccccc1[C@@H]1CC(=O)N(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000738761194 578025948 /nfs/dbraw/zinc/02/59/48/578025948.db2.gz POIJFAMTXHUQLP-NVXWUHKLSA-N -1 1 342.439 2.455 20 0 EEADMM Cc1occc1C(=O)NC1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000738985035 578033670 /nfs/dbraw/zinc/03/36/70/578033670.db2.gz LOAGSWFDHARRRH-UHFFFAOYSA-N -1 1 332.356 2.274 20 0 EEADMM O=C([O-])NCCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000739938983 578074411 /nfs/dbraw/zinc/07/44/11/578074411.db2.gz VBQMQGMLXCLDHZ-CQSZACIVSA-N -1 1 339.823 2.251 20 0 EEADMM CC(C)(C)OC(=O)N(CCNc1cccc(-c2nnn[n-]2)n1)C1CC1 ZINC000735623959 578161975 /nfs/dbraw/zinc/16/19/75/578161975.db2.gz OBWALPYWZIKREP-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC(=O)N(CCNc1cccc(-c2nn[n-]n2)n1)C1CC1 ZINC000735623959 578161976 /nfs/dbraw/zinc/16/19/76/578161976.db2.gz OBWALPYWZIKREP-UHFFFAOYSA-N -1 1 345.407 2.073 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000736139628 578182851 /nfs/dbraw/zinc/18/28/51/578182851.db2.gz VPXUDEFOPFOZRM-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000736139628 578182852 /nfs/dbraw/zinc/18/28/52/578182852.db2.gz VPXUDEFOPFOZRM-MRVPVSSYSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000736140652 578182891 /nfs/dbraw/zinc/18/28/91/578182891.db2.gz YSTVOQYKNIFOBL-GHMZBOCLSA-N -1 1 336.827 2.041 20 0 EEADMM C[C@@H](OCCCNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC000736162912 578183887 /nfs/dbraw/zinc/18/38/87/578183887.db2.gz FQDIHGWOVQCLNN-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@@H](OCCCNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC000736162912 578183888 /nfs/dbraw/zinc/18/38/88/578183888.db2.gz FQDIHGWOVQCLNN-GFCCVEGCSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](CN(C)CC(=O)Nc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000736571091 578212231 /nfs/dbraw/zinc/21/22/31/578212231.db2.gz IBNYVIZOSHUKEH-LLVKDONJSA-N -1 1 333.413 2.401 20 0 EEADMM C[C@H](CN(Cc1ccc(S(=O)(=O)C(F)F)cc1)C1CC1)C(=O)[O-] ZINC000736584957 578213223 /nfs/dbraw/zinc/21/32/23/578213223.db2.gz QSGZDHJDEKJYTA-SNVBAGLBSA-N -1 1 347.383 2.368 20 0 EEADMM CC[C@@](C)(NCC(=O)N[C@@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000736861206 578227215 /nfs/dbraw/zinc/22/72/15/578227215.db2.gz IGSWUQYUWDVFDK-RHSMWYFYSA-N -1 1 347.440 2.192 20 0 EEADMM CCCO[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000737028782 578233784 /nfs/dbraw/zinc/23/37/84/578233784.db2.gz ZAUVRQRMRDYUAA-HNNXBMFYSA-N -1 1 340.464 2.171 20 0 EEADMM COc1ccc([C@@H](O)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737077786 578236758 /nfs/dbraw/zinc/23/67/58/578236758.db2.gz YMXHWHHRQRUQHN-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM COc1ccc([C@@H](O)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737077786 578236759 /nfs/dbraw/zinc/23/67/59/578236759.db2.gz YMXHWHHRQRUQHN-LBPRGKRZSA-N -1 1 346.778 2.069 20 0 EEADMM CCN(CCCC(=O)[O-])Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000737101172 578238080 /nfs/dbraw/zinc/23/80/80/578238080.db2.gz XDABCHFSNXQSSC-UHFFFAOYSA-N -1 1 349.387 2.039 20 0 EEADMM CSCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737180678 578242459 /nfs/dbraw/zinc/24/24/59/578242459.db2.gz FIOFOUFMURIILC-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM CSCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737180678 578242460 /nfs/dbraw/zinc/24/24/60/578242460.db2.gz FIOFOUFMURIILC-UHFFFAOYSA-N -1 1 340.412 2.420 20 0 EEADMM Cc1ccc(-c2nc(CCNc3nccnc3-c3nnn[n-]3)co2)cc1 ZINC000737289536 578248267 /nfs/dbraw/zinc/24/82/67/578248267.db2.gz UVZRMBNJUXTIAM-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc(-c2nc(CCNc3nccnc3-c3nn[n-]n3)co2)cc1 ZINC000737289536 578248268 /nfs/dbraw/zinc/24/82/68/578248268.db2.gz UVZRMBNJUXTIAM-UHFFFAOYSA-N -1 1 348.370 2.275 20 0 EEADMM Cc1ccc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc2c1 ZINC000737373082 578253414 /nfs/dbraw/zinc/25/34/14/578253414.db2.gz BZEILZDLXPTDCC-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM Cc1ccc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc2c1 ZINC000737373082 578253415 /nfs/dbraw/zinc/25/34/15/578253415.db2.gz BZEILZDLXPTDCC-UHFFFAOYSA-N -1 1 337.368 2.432 20 0 EEADMM CN(CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C(=O)[O-] ZINC000737397184 578254886 /nfs/dbraw/zinc/25/48/86/578254886.db2.gz OWMHQXLIFACCTN-UHFFFAOYSA-N -1 1 325.328 2.173 20 0 EEADMM Cc1ccccc1CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000737427601 578256889 /nfs/dbraw/zinc/25/68/89/578256889.db2.gz TURNDNFBSNMRHB-UHFFFAOYSA-N -1 1 334.383 2.375 20 0 EEADMM Cc1ccccc1CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000737427601 578256890 /nfs/dbraw/zinc/25/68/90/578256890.db2.gz TURNDNFBSNMRHB-UHFFFAOYSA-N -1 1 334.383 2.375 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1CCSC1 ZINC000737546261 578263321 /nfs/dbraw/zinc/26/33/21/578263321.db2.gz CJKGYPUGAJCUKA-SNVBAGLBSA-N -1 1 345.384 2.221 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1CCSC1 ZINC000737546261 578263322 /nfs/dbraw/zinc/26/33/22/578263322.db2.gz CJKGYPUGAJCUKA-SNVBAGLBSA-N -1 1 345.384 2.221 20 0 EEADMM Clc1ccc(NC[C@@H]2Cc3ccccc3O2)nc1-c1nnn[n-]1 ZINC000737574751 578264960 /nfs/dbraw/zinc/26/49/60/578264960.db2.gz OTCAJZZLIRYEDE-JTQLQIEISA-N -1 1 328.763 2.331 20 0 EEADMM Clc1ccc(NC[C@@H]2Cc3ccccc3O2)nc1-c1nn[n-]n1 ZINC000737574751 578264961 /nfs/dbraw/zinc/26/49/61/578264961.db2.gz OTCAJZZLIRYEDE-JTQLQIEISA-N -1 1 328.763 2.331 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000737571289 578265133 /nfs/dbraw/zinc/26/51/33/578265133.db2.gz ZTWSMPZPJUAJRZ-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000737571289 578265134 /nfs/dbraw/zinc/26/51/34/578265134.db2.gz ZTWSMPZPJUAJRZ-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000738014746 578276567 /nfs/dbraw/zinc/27/65/67/578276567.db2.gz BMRPPMNPKOZDRG-JTQLQIEISA-N -1 1 340.807 2.472 20 0 EEADMM CC(C)[C@@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)C(=O)[O-] ZINC000820041955 598189246 /nfs/dbraw/zinc/18/92/46/598189246.db2.gz ZYOFXMWTBGOJPQ-CABCVRRESA-N -1 1 347.440 2.048 20 0 EEADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823547683 599309862 /nfs/dbraw/zinc/30/98/62/599309862.db2.gz NEEMZKGDXQRTLY-XFFZJAGNSA-N -1 1 341.714 2.458 20 0 EEADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823547683 599309863 /nfs/dbraw/zinc/30/98/63/599309863.db2.gz NEEMZKGDXQRTLY-XFFZJAGNSA-N -1 1 341.714 2.458 20 0 EEADMM C[C@H]1Cc2ccccc2N1C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405323030 600302515 /nfs/dbraw/zinc/30/25/15/600302515.db2.gz QXGNUPYGXRUJCI-ZFWWWQNUSA-N -1 1 328.412 2.151 20 0 EEADMM Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c1C ZINC000321980671 600530272 /nfs/dbraw/zinc/53/02/72/600530272.db2.gz MIVIUDKTZPQFAQ-UHFFFAOYSA-N -1 1 337.401 2.002 20 0 EEADMM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000318298079 600637182 /nfs/dbraw/zinc/63/71/82/600637182.db2.gz LHIHWSNRBMZBCD-UHFFFAOYSA-N -1 1 337.744 2.106 20 0 EEADMM O=C([O-])CCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000821524117 600826745 /nfs/dbraw/zinc/82/67/45/600826745.db2.gz ANRSQAHLIADYTB-UHFFFAOYSA-N -1 1 329.400 2.324 20 0 EEADMM COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])nc1 ZINC000832419639 600985945 /nfs/dbraw/zinc/98/59/45/600985945.db2.gz UNKCGGAQJMYFQZ-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CNC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000828718363 600998676 /nfs/dbraw/zinc/99/86/76/600998676.db2.gz LZRCVTMVYGGICQ-MLGOLLRUSA-N -1 1 336.432 2.135 20 0 EEADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000827380689 601121888 /nfs/dbraw/zinc/12/18/88/601121888.db2.gz UYRXWDHOFKRKDD-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM CCN(CC)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000829684408 601122823 /nfs/dbraw/zinc/12/28/23/601122823.db2.gz XWAIHMSYUIXSMP-HNNXBMFYSA-N -1 1 347.459 2.154 20 0 EEADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc3ccn(C)c3c2)CC1 ZINC000827369377 601134952 /nfs/dbraw/zinc/13/49/52/601134952.db2.gz WSKZYZRGHNEKAG-ZDUSSCGKSA-N -1 1 344.415 2.191 20 0 EEADMM CC(C)c1nc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c[nH]1 ZINC000827153591 601320226 /nfs/dbraw/zinc/32/02/26/601320226.db2.gz UPLKGSDEOZNKID-UHFFFAOYSA-N -1 1 345.327 2.310 20 0 EEADMM COC(=O)c1cc(NC(=O)CN(C)[C@H](C)C2(C)CC2)cc(C(=O)[O-])c1 ZINC000831270251 601612467 /nfs/dbraw/zinc/61/24/67/601612467.db2.gz VADAWOZWIFXPJG-LLVKDONJSA-N -1 1 348.399 2.230 20 0 EEADMM Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832854226 601784621 /nfs/dbraw/zinc/78/46/21/601784621.db2.gz BRZJLIXZQXNMEF-UHFFFAOYSA-N -1 1 328.777 2.486 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000832785261 601847999 /nfs/dbraw/zinc/84/79/99/601847999.db2.gz JTRDGXQSJLNKQV-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM COc1cccc2sc(NC(=O)CN3CC[C@](C)(C(=O)[O-])C3)nc21 ZINC000832577555 601915282 /nfs/dbraw/zinc/91/52/82/601915282.db2.gz LBYVQMRRGANDCF-INIZCTEOSA-N -1 1 349.412 2.040 20 0 EEADMM CN(Cc1ccc(Cl)s1)C(=O)CN[C@H](C(=O)[O-])C(C)(C)C ZINC000830825459 602226760 /nfs/dbraw/zinc/22/67/60/602226760.db2.gz XLAKDXRTEKIUKB-GFCCVEGCSA-N -1 1 332.853 2.449 20 0 EEADMM Cc1ccc(F)c(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826290093 607644084 /nfs/dbraw/zinc/64/40/84/607644084.db2.gz ZSQHNVQELWTIJD-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832848968 604346287 /nfs/dbraw/zinc/34/62/87/604346287.db2.gz RBVFQIOFLOJGFT-UHFFFAOYSA-N -1 1 348.306 2.463 20 0 EEADMM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000833208775 604600863 /nfs/dbraw/zinc/60/08/63/604600863.db2.gz SMQCBWOKMAKDGI-HOTGVXAUSA-N -1 1 334.391 2.256 20 0 EEADMM C[C@@H](c1cccnc1)N(C)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000833548636 604913102 /nfs/dbraw/zinc/91/31/02/604913102.db2.gz GEWYEDKAIUYABG-BBRMVZONSA-N -1 1 330.384 2.213 20 0 EEADMM COCCn1c(C)c(C)n(CN2CCC[C@H]2CC(=O)[O-])c1=S ZINC000831800741 604975816 /nfs/dbraw/zinc/97/58/16/604975816.db2.gz RXBCPAQYLOILIU-ZDUSSCGKSA-N -1 1 327.450 2.179 20 0 EEADMM CCc1nc([C@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)n[nH]1 ZINC000833675163 605008249 /nfs/dbraw/zinc/00/82/49/605008249.db2.gz YNFCMEPZRIKYJT-LBPRGKRZSA-N -1 1 332.404 2.298 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n[nH]1 ZINC000833674064 605019935 /nfs/dbraw/zinc/01/99/35/605019935.db2.gz ORZMFAUVPAYNHZ-JTQLQIEISA-N -1 1 346.391 2.360 20 0 EEADMM Cc1c(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cccc1N(C)C ZINC000833742278 605080539 /nfs/dbraw/zinc/08/05/39/605080539.db2.gz PPPPNGLTQLIBPG-ZDUSSCGKSA-N -1 1 348.447 2.074 20 0 EEADMM C/C(=C/C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1ccc(F)cc1 ZINC000833381078 605110941 /nfs/dbraw/zinc/11/09/41/605110941.db2.gz ALPMHZPCJNMHKZ-YBEMTRGBSA-N -1 1 334.391 2.236 20 0 EEADMM Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc2n[nH]cc21 ZINC000833746605 605152453 /nfs/dbraw/zinc/15/24/53/605152453.db2.gz DGSZWSQIERUQAF-UHFFFAOYSA-N -1 1 337.382 2.432 20 0 EEADMM Cc1cccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)CC2)c1 ZINC000833752471 605163479 /nfs/dbraw/zinc/16/34/79/605163479.db2.gz LATQYJKXGUTLQB-HNNXBMFYSA-N -1 1 330.428 2.034 20 0 EEADMM CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833471335 605167604 /nfs/dbraw/zinc/16/76/04/605167604.db2.gz KIHKEXWXSXNDFK-AWEZNQCLSA-N -1 1 341.358 2.467 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000833620659 605168073 /nfs/dbraw/zinc/16/80/73/605168073.db2.gz LWBDKTFXZPEWMJ-QRWLVFNGSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000833623150 605168502 /nfs/dbraw/zinc/16/85/02/605168502.db2.gz QUVKWJLONUYNLO-YWZLYKJASA-N -1 1 344.455 2.288 20 0 EEADMM C[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833617545 605278007 /nfs/dbraw/zinc/27/80/07/605278007.db2.gz DPZGBDIAYBSCQH-PYLYLYNFSA-N -1 1 334.391 2.236 20 0 EEADMM Cc1cccc([C@@H]2CC(=O)N(CN(C[C@H](C)C(=O)[O-])C3CC3)C2)c1 ZINC000833752619 605348522 /nfs/dbraw/zinc/34/85/22/605348522.db2.gz ONXMQUWZFVIPCA-GOEBONIOSA-N -1 1 330.428 2.454 20 0 EEADMM O=C(OCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823409749 606138205 /nfs/dbraw/zinc/13/82/05/606138205.db2.gz LTSJFJRLXKTFIA-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM O=C(OCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823409749 606138206 /nfs/dbraw/zinc/13/82/06/606138206.db2.gz LTSJFJRLXKTFIA-UHFFFAOYSA-N -1 1 334.332 2.303 20 0 EEADMM CCC[C@H]1C[C@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821034339 606459799 /nfs/dbraw/zinc/45/97/99/606459799.db2.gz KQNIKHIIYHSIMJ-NWDGAFQWSA-N -1 1 340.387 2.477 20 0 EEADMM CCC[C@H]1C[C@H]1NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821034339 606459801 /nfs/dbraw/zinc/45/98/01/606459801.db2.gz KQNIKHIIYHSIMJ-NWDGAFQWSA-N -1 1 340.387 2.477 20 0 EEADMM CN(CCOc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821605182 606496507 /nfs/dbraw/zinc/49/65/07/606496507.db2.gz YRZVVVJCPRYRBV-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM CN(CCOc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821605182 606496509 /nfs/dbraw/zinc/49/65/09/606496509.db2.gz YRZVVVJCPRYRBV-UHFFFAOYSA-N -1 1 347.375 2.218 20 0 EEADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823359410 606502119 /nfs/dbraw/zinc/50/21/19/606502119.db2.gz NTFUJUYMEUDNEL-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823359410 606502121 /nfs/dbraw/zinc/50/21/21/606502121.db2.gz NTFUJUYMEUDNEL-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC1(C)CCCC1 ZINC000822010323 606916462 /nfs/dbraw/zinc/91/64/62/606916462.db2.gz YADVVWMPWYFUIE-UHFFFAOYSA-N -1 1 345.403 2.393 20 0 EEADMM CC(C)CO[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000820102776 607044292 /nfs/dbraw/zinc/04/42/92/607044292.db2.gz JZYYLOLZCQCDSX-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)CO[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000820102776 607044293 /nfs/dbraw/zinc/04/42/93/607044293.db2.gz JZYYLOLZCQCDSX-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CCOc1ccc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821416660 607105798 /nfs/dbraw/zinc/10/57/98/607105798.db2.gz BXMDQENJUNZFNN-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM CCOc1ccc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821416660 607105800 /nfs/dbraw/zinc/10/58/00/607105800.db2.gz BXMDQENJUNZFNN-UHFFFAOYSA-N -1 1 344.400 2.293 20 0 EEADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820226029 607222735 /nfs/dbraw/zinc/22/27/35/607222735.db2.gz SBKVRJJVYDTAFH-SNVBAGLBSA-N -1 1 341.396 2.320 20 0 EEADMM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820226029 607222736 /nfs/dbraw/zinc/22/27/36/607222736.db2.gz SBKVRJJVYDTAFH-SNVBAGLBSA-N -1 1 341.396 2.320 20 0 EEADMM CCN(CCc1nccs1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825428212 607820567 /nfs/dbraw/zinc/82/05/67/607820567.db2.gz FPTPHNXOKJFXQF-UHFFFAOYSA-N -1 1 335.824 2.441 20 0 EEADMM CCN(CCc1nccs1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825428212 607820568 /nfs/dbraw/zinc/82/05/68/607820568.db2.gz FPTPHNXOKJFXQF-UHFFFAOYSA-N -1 1 335.824 2.441 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824939960 607865987 /nfs/dbraw/zinc/86/59/87/607865987.db2.gz YLKNPBQFQHSTFJ-CMPLNLGQSA-N -1 1 333.367 2.080 20 0 EEADMM C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824939960 607865988 /nfs/dbraw/zinc/86/59/88/607865988.db2.gz YLKNPBQFQHSTFJ-CMPLNLGQSA-N -1 1 333.367 2.080 20 0 EEADMM O=S(=O)(CC1CCCCC1)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826484773 607868118 /nfs/dbraw/zinc/86/81/18/607868118.db2.gz ONGKEDSXQYNJPS-UHFFFAOYSA-N -1 1 340.380 2.295 20 0 EEADMM O=S(=O)(CC1CCCCC1)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826484773 607868119 /nfs/dbraw/zinc/86/81/19/607868119.db2.gz ONGKEDSXQYNJPS-UHFFFAOYSA-N -1 1 340.380 2.295 20 0 EEADMM CCN(Cc1ccc(OC)cc1OC)c1cccc(-c2nnn[n-]2)n1 ZINC000825435382 607897994 /nfs/dbraw/zinc/89/79/94/607897994.db2.gz WLILOSQNZDIWOQ-UHFFFAOYSA-N -1 1 340.387 2.305 20 0 EEADMM CCN(Cc1ccc(OC)cc1OC)c1cccc(-c2nn[n-]n2)n1 ZINC000825435382 607897995 /nfs/dbraw/zinc/89/79/95/607897995.db2.gz WLILOSQNZDIWOQ-UHFFFAOYSA-N -1 1 340.387 2.305 20 0 EEADMM c1nc2ccccc2n1C[C@H]1CCCN1c1cccc(-c2nnn[n-]2)n1 ZINC000826514159 607905759 /nfs/dbraw/zinc/90/57/59/607905759.db2.gz JDFPQUOELXDORV-CYBMUJFWSA-N -1 1 346.398 2.280 20 0 EEADMM c1nc2ccccc2n1C[C@H]1CCCN1c1cccc(-c2nn[n-]n2)n1 ZINC000826514159 607905760 /nfs/dbraw/zinc/90/57/60/607905760.db2.gz JDFPQUOELXDORV-CYBMUJFWSA-N -1 1 346.398 2.280 20 0 EEADMM c1coc(CN(Cc2cccnc2)c2cccc(-c3nnn[n-]3)n2)c1 ZINC000826525333 608016935 /nfs/dbraw/zinc/01/69/35/608016935.db2.gz FVJSFHBRLKABDM-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM c1coc(CN(Cc2cccnc2)c2cccc(-c3nn[n-]n3)n2)c1 ZINC000826525333 608016936 /nfs/dbraw/zinc/01/69/36/608016936.db2.gz FVJSFHBRLKABDM-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM CCC1(CO)CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000825171676 608151396 /nfs/dbraw/zinc/15/13/96/608151396.db2.gz TXYMGWFNWWEEIT-UHFFFAOYSA-N -1 1 338.415 2.404 20 0 EEADMM CCC1(CO)CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000825171676 608151398 /nfs/dbraw/zinc/15/13/98/608151398.db2.gz TXYMGWFNWWEEIT-UHFFFAOYSA-N -1 1 338.415 2.404 20 0 EEADMM Fc1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc(F)c1N1CCCC1 ZINC000826372993 608402292 /nfs/dbraw/zinc/40/22/92/608402292.db2.gz VCUWQDJOXODVOS-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Fc1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc(F)c1N1CCCC1 ZINC000826372993 608402293 /nfs/dbraw/zinc/40/22/93/608402293.db2.gz VCUWQDJOXODVOS-UHFFFAOYSA-N -1 1 344.329 2.279 20 0 EEADMM Brc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000823826040 608414595 /nfs/dbraw/zinc/41/45/95/608414595.db2.gz AVHPNKVKTLQDGW-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000823826040 608414598 /nfs/dbraw/zinc/41/45/98/608414598.db2.gz AVHPNKVKTLQDGW-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Oc1cccc(Cl)c1 ZINC000824426497 608424245 /nfs/dbraw/zinc/42/42/45/608424245.db2.gz GNMRJWDKUCMOTO-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Oc1cccc(Cl)c1 ZINC000824426497 608424246 /nfs/dbraw/zinc/42/42/46/608424246.db2.gz GNMRJWDKUCMOTO-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000824899771 608424790 /nfs/dbraw/zinc/42/47/90/608424790.db2.gz OCRKBDMTDPLUSL-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000824899771 608424791 /nfs/dbraw/zinc/42/47/91/608424791.db2.gz OCRKBDMTDPLUSL-YGRLFVJLSA-N -1 1 325.351 2.383 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(N2CCCC2)c1 ZINC000824657592 608431283 /nfs/dbraw/zinc/43/12/83/608431283.db2.gz ROHDYLFEQLAADP-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(N2CCCC2)c1 ZINC000824657592 608431286 /nfs/dbraw/zinc/43/12/86/608431286.db2.gz ROHDYLFEQLAADP-LBPRGKRZSA-N -1 1 336.403 2.430 20 0 EEADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824893826 608444779 /nfs/dbraw/zinc/44/47/79/608444779.db2.gz VHTJERMIJZUWPC-JGPRNRPPSA-N -1 1 325.376 2.178 20 0 EEADMM C[C@@H]1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824893826 608444781 /nfs/dbraw/zinc/44/47/81/608444781.db2.gz VHTJERMIJZUWPC-JGPRNRPPSA-N -1 1 325.376 2.178 20 0 EEADMM COc1cccc([C@@H]2CN(Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826215402 608677799 /nfs/dbraw/zinc/67/77/99/608677799.db2.gz NYSMWXDLCKIOSP-INIZCTEOSA-N -1 1 341.371 2.042 20 0 EEADMM COc1cccc([C@@H]2CN(Cc3ccc(-c4nn[n-]n4)o3)CCO2)c1 ZINC000826215402 608677800 /nfs/dbraw/zinc/67/78/00/608677800.db2.gz NYSMWXDLCKIOSP-INIZCTEOSA-N -1 1 341.371 2.042 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN([C@H](C)c3cccc(F)c3)C2)c1[O-] ZINC000969500557 675075210 /nfs/dbraw/zinc/07/52/10/675075210.db2.gz QYUCTTZWEOHTMW-ZYHUDNBSSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1ccc(F)c(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001038195991 676110404 /nfs/dbraw/zinc/11/04/04/676110404.db2.gz ZTFCOJAJROBDFQ-AWEZNQCLSA-N -1 1 329.375 2.239 20 0 EEADMM CC(C)CC(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020677955 675395652 /nfs/dbraw/zinc/39/56/52/675395652.db2.gz VJVRUOZMVUJZEN-ZIAGYGMSSA-N -1 1 333.432 2.048 20 0 EEADMM CCc1cnc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)o1 ZINC000234218665 676231658 /nfs/dbraw/zinc/23/16/58/676231658.db2.gz QASCFKSRRNVFNX-UHFFFAOYSA-N -1 1 346.821 2.078 20 0 EEADMM Cc1nc(CN2CC[C@@H](NC(=O)c3ncccc3[O-])C[C@H]2C)oc1C ZINC000947229080 677734798 /nfs/dbraw/zinc/73/47/98/677734798.db2.gz ALYPHXWZWFYAGR-BXUZGUMPSA-N -1 1 344.415 2.175 20 0 EEADMM C[C@@H]1CC([N-]S(=O)(=O)c2nc[nH]c2Br)C[C@@H](C)C1 ZINC000866853339 677871913 /nfs/dbraw/zinc/87/19/13/677871913.db2.gz XFYYXLSUWPWJQE-YUMQZZPRSA-N -1 1 336.255 2.275 20 0 EEADMM CCC/C=C/C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000051418615 678204901 /nfs/dbraw/zinc/20/49/01/678204901.db2.gz WXEMHAUCIHFMSJ-SNAWJCMRSA-N -1 1 341.310 2.444 20 0 EEADMM CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)c2ncccc2O)C[C@H]1C ZINC000947231006 678387806 /nfs/dbraw/zinc/38/78/06/678387806.db2.gz HOZKJLNPSHKYCB-TZMCWYRMSA-N -1 1 344.415 2.121 20 0 EEADMM CCC[C@@H](NCC(=O)NCCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262270212 679081423 /nfs/dbraw/zinc/08/14/23/679081423.db2.gz IFIWOWFTOSRXSK-GFCCVEGCSA-N -1 1 347.242 2.495 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2Cc2cccc(F)c2)c1[O-] ZINC001024384627 679886365 /nfs/dbraw/zinc/88/63/65/679886365.db2.gz FMFLBRZVKQBWDH-OAHLLOKOSA-N -1 1 346.406 2.347 20 0 EEADMM O=C(NC[C@H]1CCCCN1Cc1cncc(F)c1)c1ncccc1[O-] ZINC001024407636 679891817 /nfs/dbraw/zinc/89/18/17/679891817.db2.gz QEWBUTSNKVUZDD-OAHLLOKOSA-N -1 1 344.390 2.106 20 0 EEADMM COCc1nc(N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)cc(=O)[n-]1 ZINC000894105039 681225196 /nfs/dbraw/zinc/22/51/96/681225196.db2.gz DOUFTMVKUFYWHE-HSMVNMDESA-N -1 1 347.419 2.134 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccc3ccccc3c2)C1 ZINC000909404146 681287096 /nfs/dbraw/zinc/28/70/96/681287096.db2.gz YZGARMQELPDCOA-KRWDZBQOSA-N -1 1 326.396 2.253 20 0 EEADMM CN(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937212620 681688067 /nfs/dbraw/zinc/68/80/67/681688067.db2.gz WZNWJNGSAVNAST-GFCCVEGCSA-N -1 1 345.443 2.142 20 0 EEADMM CC(C)n1c(CNC(=O)CSCc2cccnc2)n[n-]c1=S ZINC000066650159 681813402 /nfs/dbraw/zinc/81/34/02/681813402.db2.gz BLTYCHCYJBFXBN-UHFFFAOYSA-N -1 1 337.474 2.466 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983321034 682269788 /nfs/dbraw/zinc/26/97/88/682269788.db2.gz RVAPNMHZZCYTGX-RBSFLKMASA-N -1 1 345.443 2.048 20 0 EEADMM CC1=C(C)C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC000973200027 682297397 /nfs/dbraw/zinc/29/73/97/682297397.db2.gz WIBHJLXYBIGODU-RBSFLKMASA-N -1 1 343.427 2.301 20 0 EEADMM O=C(C=C1CCC1)N[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000983551632 682844393 /nfs/dbraw/zinc/84/43/93/682844393.db2.gz GUALPDRXQAMXLA-ZIAGYGMSSA-N -1 1 329.400 2.055 20 0 EEADMM CC[C@@H]1c2ccccc2CCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000909411101 683202296 /nfs/dbraw/zinc/20/22/96/683202296.db2.gz LHTSAPVRWYERCF-NVXWUHKLSA-N -1 1 330.428 2.319 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000983758850 683321093 /nfs/dbraw/zinc/32/10/93/683321093.db2.gz NEOYPHKCAQUVJE-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)Cc2ccccc21 ZINC000909426476 683651777 /nfs/dbraw/zinc/65/17/77/683651777.db2.gz QYXXODKWBYTBRJ-SNVBAGLBSA-N -1 1 339.273 2.253 20 0 EEADMM Cc1cccc(OCCNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000078803772 683905389 /nfs/dbraw/zinc/90/53/89/683905389.db2.gz BYPPOQFUMDTWHS-UHFFFAOYSA-N -1 1 329.400 2.319 20 0 EEADMM CN(C(=O)[C@@H]1CC12CCC2)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000984108698 684111153 /nfs/dbraw/zinc/11/11/53/684111153.db2.gz BPQDNYUECWNQMA-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909486882 684163337 /nfs/dbraw/zinc/16/33/37/684163337.db2.gz XYSXZAUYMWDGPK-VIFPVBQESA-N -1 1 333.310 2.454 20 0 EEADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)[C@H]1CCCC(C)(C)C1 ZINC000185858979 684497193 /nfs/dbraw/zinc/49/71/93/684497193.db2.gz UKGGKKPPOTURCQ-LBPRGKRZSA-N -1 1 332.404 2.028 20 0 EEADMM O=C(C[C@@H]1C=CCCC1)N[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000978740034 693863158 /nfs/dbraw/zinc/86/31/58/693863158.db2.gz MSERQJUNCXAKAU-KFWWJZLASA-N -1 1 343.427 2.158 20 0 EEADMM Cc1cocc1C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1 ZINC000984500170 684631731 /nfs/dbraw/zinc/63/17/31/684631731.db2.gz PBCAGPARNLBSED-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000984519298 684692501 /nfs/dbraw/zinc/69/25/01/684692501.db2.gz ZRMZDIJCCWICBV-IFXJQAMLSA-N -1 1 343.427 2.207 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000974433539 684912697 /nfs/dbraw/zinc/91/26/97/684912697.db2.gz UHQAGODFLOYNEU-GFCCVEGCSA-N -1 1 345.424 2.131 20 0 EEADMM Cc1noc(C)c1CN1C[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000974478458 684971615 /nfs/dbraw/zinc/97/16/15/684971615.db2.gz LAPZSEVAEUFNII-HNNXBMFYSA-N -1 1 344.415 2.032 20 0 EEADMM CC(C)(C)OC(=O)N1CCC2(CN(c3cc(Cl)[n-]c(=O)n3)C2)C1 ZINC000897136997 686183232 /nfs/dbraw/zinc/18/32/32/686183232.db2.gz NFCDISMSUMXWCB-UHFFFAOYSA-N -1 1 340.811 2.283 20 0 EEADMM CCC1(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CCC1 ZINC000975889440 686971573 /nfs/dbraw/zinc/97/15/73/686971573.db2.gz AQUBAGAEFHWNIF-AWEZNQCLSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)c2C1 ZINC000909360221 687835375 /nfs/dbraw/zinc/83/53/75/687835375.db2.gz LRVDPRPWCIWNRE-BJOHPYRUSA-N -1 1 331.347 2.229 20 0 EEADMM CCOc1ccc(CNCc2cnn(C)c2C(=O)[O-])cc1OCC ZINC000904069223 694289192 /nfs/dbraw/zinc/28/91/92/694289192.db2.gz KDXZPJZBLDCNPH-UHFFFAOYSA-N -1 1 333.388 2.206 20 0 EEADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979237601 694318227 /nfs/dbraw/zinc/31/82/27/694318227.db2.gz HAOSMZCBLIITNP-SSHHRWTQSA-N -1 1 345.443 2.094 20 0 EEADMM C[C@@H]1C[C@H]1C(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC000991042577 694325385 /nfs/dbraw/zinc/32/53/85/694325385.db2.gz QQRJIURLTMFYPJ-MGPQQGTHSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H](C(=O)N1CC[C@H](CN(C)C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC000988121773 690314366 /nfs/dbraw/zinc/31/43/66/690314366.db2.gz USRXBAXNSCAPND-UONOGXRCSA-N -1 1 347.459 2.390 20 0 EEADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H]1CC(C)(C)OC1=O ZINC000897832942 691797152 /nfs/dbraw/zinc/79/71/52/691797152.db2.gz QRTWWCJSAOWFEB-AWEZNQCLSA-N -1 1 329.352 2.417 20 0 EEADMM Cc1cc2cc([N-]S(=O)(=O)N=S3(=O)CCCC3)ccc2[nH]1 ZINC000905091239 694521123 /nfs/dbraw/zinc/52/11/23/694521123.db2.gz AVOLUBYEKOGEIE-UHFFFAOYSA-N -1 1 327.431 2.395 20 0 EEADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000905101167 694529755 /nfs/dbraw/zinc/52/97/55/694529755.db2.gz JBILFULTTHFAHZ-UHFFFAOYSA-N -1 1 327.431 2.395 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)C12CCC(CC1)C2)C(=O)c1ncccc1[O-] ZINC000977605836 692815362 /nfs/dbraw/zinc/81/53/62/692815362.db2.gz CKFUEJPTWXPKAY-BIWSTMPVSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)c1ncccc1[O-] ZINC000977622305 692856304 /nfs/dbraw/zinc/85/63/04/692856304.db2.gz WJBRBORMXVHINL-BFHYXJOUSA-N -1 1 345.443 2.142 20 0 EEADMM CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000990449281 692923372 /nfs/dbraw/zinc/92/33/72/692923372.db2.gz HDDOARAKNRZHKZ-AWEZNQCLSA-N -1 1 348.447 2.087 20 0 EEADMM CN(C[C@H]1CCN1C(=O)c1ncccc1[O-])C(=O)[C@@H]1CCCC1(C)C ZINC000978200296 693365844 /nfs/dbraw/zinc/36/58/44/693365844.db2.gz HSZDZUXSNFPSMQ-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CCOC3(CCC3)C2)C1 ZINC000899183995 693651488 /nfs/dbraw/zinc/65/14/88/693651488.db2.gz IIPZRTUEKZIREV-FZMZJTMJSA-N -1 1 348.365 2.005 20 0 EEADMM O=C([O-])[C@@H](NCc1cc(CO)ccc1F)c1ccc2c(c1)CCO2 ZINC000905390492 694623179 /nfs/dbraw/zinc/62/31/79/694623179.db2.gz PVVHREYRYNXCNE-KRWDZBQOSA-N -1 1 331.343 2.168 20 0 EEADMM CC(C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC000943204442 1192114536 /nfs/dbraw/zinc/11/45/36/1192114536.db2.gz SWJFSJCUGKJETL-OAHLLOKOSA-N -1 1 343.427 2.399 20 0 EEADMM C[C@@]1(C(=O)N[C@@H]2CCCCN(C(=O)c3ncccc3[O-])C2)C=CCC1 ZINC000943443255 1192281410 /nfs/dbraw/zinc/28/14/10/1192281410.db2.gz VTPIBYZKBQQYEF-AUUYWEPGSA-N -1 1 343.427 2.254 20 0 EEADMM O=C(CCC1CCCC1)N1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC000943774782 1192545655 /nfs/dbraw/zinc/54/56/55/1192545655.db2.gz PTQKPXFCTSDEPK-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM O=C(COC(=O)C1=Cc2ccccc2OC1)c1ccc([O-])cc1O ZINC000018344659 1180434272 /nfs/dbraw/zinc/43/42/72/1180434272.db2.gz YMPSMSBIFYRJMQ-UHFFFAOYSA-N -1 1 326.304 2.300 20 0 EEADMM CC[C@@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cn1 ZINC001269354683 1184201621 /nfs/dbraw/zinc/20/16/21/1184201621.db2.gz RCWSRRQDXRPRGE-FZKQIMNGSA-N -1 1 331.416 2.183 20 0 EEADMM O=C(c1c([O-])ccc2ccccc21)N1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001270164826 1184891853 /nfs/dbraw/zinc/89/18/53/1184891853.db2.gz BVRDHNDWNYYHFT-MRXNPFEDSA-N -1 1 348.402 2.406 20 0 EEADMM 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CSc1cccc(F)c1C(=O)OCc1cccnc1-c1nnn[n-]1 ZINC001609373378 1351950741 /nfs/dbraw/zinc/95/07/41/1351950741.db2.gz WTUMQFCRDBVHAI-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM CSc1cccc(F)c1C(=O)OCc1cccnc1-c1nn[n-]n1 ZINC001609373378 1351950745 /nfs/dbraw/zinc/95/07/45/1351950745.db2.gz WTUMQFCRDBVHAI-UHFFFAOYSA-N -1 1 345.359 2.480 20 0 EEADMM Cc1cc(CNC(=O)c2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC001609401072 1351960908 /nfs/dbraw/zinc/96/09/08/1351960908.db2.gz TZRXACKQYFQGBH-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1cc(CNC(=O)c2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC001609401072 1351960909 /nfs/dbraw/zinc/96/09/09/1351960909.db2.gz TZRXACKQYFQGBH-UHFFFAOYSA-N -1 1 328.763 2.154 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc(Cl)c2Cl)c1-c1nn[n-]n1 ZINC001609444806 1351981062 /nfs/dbraw/zinc/98/10/62/1351981062.db2.gz SYLWACBFVIQKPC-UHFFFAOYSA-N -1 1 338.158 2.457 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOc1cccc(F)c1 ZINC001609468284 1351989382 /nfs/dbraw/zinc/98/93/82/1351989382.db2.gz NNVBGDQXSWPZOT-UHFFFAOYSA-N 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CN(Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001610120841 1352166915 /nfs/dbraw/zinc/16/69/15/1352166915.db2.gz FFUGGKVBSVKMED-CQSZACIVSA-N -1 1 335.404 2.221 20 0 EEADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848339767 1338681626 /nfs/dbraw/zinc/68/16/26/1338681626.db2.gz OJNUBZLYKTVROI-DDHJBXDOSA-N -1 1 348.365 2.050 20 0 EEADMM Cc1[nH]c(C(=O)COC(=O)c2cccc3[nH]ncc32)c(C)c1C(=O)[O-] ZINC001610400885 1352216826 /nfs/dbraw/zinc/21/68/26/1352216826.db2.gz WPFFSSIUDGCKMQ-UHFFFAOYSA-N -1 1 341.323 2.246 20 0 EEADMM Cc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(C)c1OCC(=O)[O-] ZINC001610462611 1352227200 /nfs/dbraw/zinc/22/72/00/1352227200.db2.gz XIVAASBKWGARKV-NHYWBVRUSA-N -1 1 335.400 2.309 20 0 EEADMM Cc1ncc(Cl)c(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)n1 ZINC001610563106 1352245684 /nfs/dbraw/zinc/24/56/84/1352245684.db2.gz MQPQMFZRTWYKIT-UHFFFAOYSA-N -1 1 331.719 2.265 20 0 EEADMM Cc1nc([C@@H](C)NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n[nH]1 ZINC001610573643 1352247314 /nfs/dbraw/zinc/24/73/14/1352247314.db2.gz ZFZQPMSWNSQFGM-SSDOTTSWSA-N -1 1 328.332 2.175 20 0 EEADMM O=C([O-])C[C@@]1(NCc2c(F)cccc2Br)CCOC1 ZINC001610757834 1352269632 /nfs/dbraw/zinc/26/96/32/1352269632.db2.gz FPWSHYGTNRVXQV-ZDUSSCGKSA-N -1 1 332.169 2.312 20 0 EEADMM O=C([O-])CNC(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2)o1 ZINC001610783552 1352274213 /nfs/dbraw/zinc/27/42/13/1352274213.db2.gz RIDAZYRBGNGSGC-HNNXBMFYSA-N -1 1 328.368 2.112 20 0 EEADMM O=C([O-])c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)s1 ZINC001610821916 1352280436 /nfs/dbraw/zinc/28/04/36/1352280436.db2.gz VNFPWASMWCXFKC-NSHDSACASA-N -1 1 342.380 2.278 20 0 EEADMM O=C([O-])c1cnccc1C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC001610864627 1352287324 /nfs/dbraw/zinc/28/73/24/1352287324.db2.gz RGYLAKUIPCLPCZ-AWEZNQCLSA-N -1 1 326.352 2.211 20 0 EEADMM Cc1onc(-c2cccc(F)c2)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC001611062205 1352293784 /nfs/dbraw/zinc/29/37/84/1352293784.db2.gz ANNXGUICTZIXPR-VIFPVBQESA-N -1 1 344.350 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/nfs/dbraw/zinc/49/44/70/1342494470.db2.gz BJWWHYQDXGTCQG-UHFFFAOYSA-N -1 1 341.346 2.490 20 0 EEADMM O=C(CN1CCc2ccc(Cl)cc2C1)N[N-]C(=O)c1cccs1 ZINC000090615664 1357107394 /nfs/dbraw/zinc/10/73/94/1357107394.db2.gz WIHOWPLMSUJNEA-UHFFFAOYSA-N -1 1 349.843 2.221 20 0 EEADMM CC[C@@H](C)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001576623181 1344041271 /nfs/dbraw/zinc/04/12/71/1344041271.db2.gz UDFXLLZCPSGGBX-GFCCVEGCSA-N -1 1 348.476 2.009 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1noc(C)n1 ZINC001576999024 1344081351 /nfs/dbraw/zinc/08/13/51/1344081351.db2.gz MHQJAPHIMBKIKJ-RXMQYKEDSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1noc(C)n1 ZINC001576999024 1344081353 /nfs/dbraw/zinc/08/13/53/1344081353.db2.gz MHQJAPHIMBKIKJ-RXMQYKEDSA-N -1 1 326.773 2.231 20 0 EEADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577155985 1344096359 /nfs/dbraw/zinc/09/63/59/1344096359.db2.gz IREJJZLQXJEPSU-JQWIXIFHSA-N -1 1 330.392 2.425 20 0 EEADMM CCOC(=O)c1ccc(OCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001578253406 1344255008 /nfs/dbraw/zinc/25/50/08/1344255008.db2.gz WAJCVIZQZBEMDT-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM CCOC(=O)c1ccc(OCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001578253406 1344255014 /nfs/dbraw/zinc/25/50/14/1344255014.db2.gz WAJCVIZQZBEMDT-UHFFFAOYSA-N -1 1 331.357 2.079 20 0 EEADMM COC(=O)c1ccc(F)c(NC(=O)c2ccsc2-c2nnn[n-]2)c1 ZINC001579482265 1344388261 /nfs/dbraw/zinc/38/82/61/1344388261.db2.gz AMKPICOFWYIHOP-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COC(=O)c1ccc(F)c(NC(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001579482265 1344388266 /nfs/dbraw/zinc/38/82/66/1344388266.db2.gz AMKPICOFWYIHOP-UHFFFAOYSA-N -1 1 347.331 2.106 20 0 EEADMM COc1cccc(Cl)c1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001580069422 1344463088 /nfs/dbraw/zinc/46/30/88/1344463088.db2.gz GNZFCKDSLXTYOP-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cccc(Cl)c1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001580069422 1344463091 /nfs/dbraw/zinc/46/30/91/1344463091.db2.gz GNZFCKDSLXTYOP-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM CSc1ccsc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580236709 1344496208 /nfs/dbraw/zinc/49/62/08/1344496208.db2.gz VDTJFOJRPSKTSG-UHFFFAOYSA-N -1 1 338.443 2.037 20 0 EEADMM CSc1ccsc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580236709 1344496209 /nfs/dbraw/zinc/49/62/09/1344496209.db2.gz VDTJFOJRPSKTSG-UHFFFAOYSA-N -1 1 338.443 2.037 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2Br)c1 ZINC001580609351 1344542552 /nfs/dbraw/zinc/54/25/52/1344542552.db2.gz UHZGVDBIHMJZAP-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM Cc1nc(NCc2cccc(Br)c2)cc(-c2nnn[n-]2)n1 ZINC001581526331 1344634527 /nfs/dbraw/zinc/63/45/27/1344634527.db2.gz SNHALXOUCDUBAL-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1nc(NCc2cccc(Br)c2)cc(-c2nn[n-]n2)n1 ZINC001581526331 1344634532 /nfs/dbraw/zinc/63/45/32/1344634532.db2.gz SNHALXOUCDUBAL-UHFFFAOYSA-N -1 1 346.192 2.340 20 0 EEADMM Cc1nc(Nc2ccc(O[C@H]3CC3(F)F)cc2)cc(-c2nnn[n-]2)n1 ZINC001581531162 1344636310 /nfs/dbraw/zinc/63/63/10/1344636310.db2.gz WZBRSSXDLIWYSM-LBPRGKRZSA-N -1 1 345.313 2.495 20 0 EEADMM Cc1nc(Nc2ccc(O[C@H]3CC3(F)F)cc2)cc(-c2nn[n-]n2)n1 ZINC001581531162 1344636313 /nfs/dbraw/zinc/63/63/13/1344636313.db2.gz WZBRSSXDLIWYSM-LBPRGKRZSA-N -1 1 345.313 2.495 20 0 EEADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)C(C)C)c1-c1nn[n-]n1 ZINC001581713299 1344657248 /nfs/dbraw/zinc/65/72/48/1344657248.db2.gz ZKZIGUSNANYDCA-NSHDSACASA-N -1 1 349.464 2.081 20 0 EEADMM O=C(CCC(=O)c1cccs1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001582012439 1344691807 /nfs/dbraw/zinc/69/18/07/1344691807.db2.gz APEBCVURURYKKN-UHFFFAOYSA-N -1 1 347.425 2.269 20 0 EEADMM O=C(CSCc1cccs1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582132793 1344704986 /nfs/dbraw/zinc/70/49/86/1344704986.db2.gz ADVQXCCDUWPQRD-UHFFFAOYSA-N -1 1 332.414 2.195 20 0 EEADMM O=C(CSCc1cccs1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582132793 1344704989 /nfs/dbraw/zinc/70/49/89/1344704989.db2.gz ADVQXCCDUWPQRD-UHFFFAOYSA-N -1 1 332.414 2.195 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nnn[n-]2)n1 ZINC001582137116 1344705685 /nfs/dbraw/zinc/70/56/85/1344705685.db2.gz PFCRFTKJTIYCQI-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nn[n-]n2)n1 ZINC001582137116 1344705689 /nfs/dbraw/zinc/70/56/89/1344705689.db2.gz PFCRFTKJTIYCQI-UHFFFAOYSA-N -1 1 332.726 2.235 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582472114 1344752998 /nfs/dbraw/zinc/75/29/98/1344752998.db2.gz LFBXLLBSFXVYHQ-LBPRGKRZSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NC[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582472114 1344753001 /nfs/dbraw/zinc/75/30/01/1344753001.db2.gz LFBXLLBSFXVYHQ-LBPRGKRZSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001582472113 1344753068 /nfs/dbraw/zinc/75/30/68/1344753068.db2.gz LFBXLLBSFXVYHQ-GFCCVEGCSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(NC[C@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001582472113 1344753071 /nfs/dbraw/zinc/75/30/71/1344753071.db2.gz LFBXLLBSFXVYHQ-GFCCVEGCSA-N -1 1 335.371 2.113 20 0 EEADMM O=C(Nc1cnn2c1CCCC2)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001582650941 1344777033 /nfs/dbraw/zinc/77/70/33/1344777033.db2.gz NMZJDUWCFUVOSK-UHFFFAOYSA-N -1 1 348.370 2.133 20 0 EEADMM CC(=Cc1cnn(C(C)C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[nH]1 ZINC001588772438 1348934453 /nfs/dbraw/zinc/93/44/53/1348934453.db2.gz OTINHYQWEBXEKC-WEVVVXLNSA-N -1 1 326.364 2.009 20 0 EEADMM CC(=O)CCCCCn1cc(-c2nn[n-]n2)c2ccccc2c1=O ZINC001588792110 1348937340 /nfs/dbraw/zinc/93/73/40/1348937340.db2.gz UFZBJXDQSYPKHX-UHFFFAOYSA-N -1 1 325.372 2.331 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nnn[n-]3)c2)cc1)[C@H]1C[C@H]1C ZINC001588802201 1348938430 /nfs/dbraw/zinc/93/84/30/1348938430.db2.gz NQYZRUYCGUVMRA-DIFFPNOSSA-N -1 1 349.398 2.189 20 0 EEADMM CC(=O)N(c1ccc(Nc2ccnc(-c3nn[n-]n3)c2)cc1)[C@H]1C[C@H]1C ZINC001588802201 1348938434 /nfs/dbraw/zinc/93/84/34/1348938434.db2.gz NQYZRUYCGUVMRA-DIFFPNOSSA-N -1 1 349.398 2.189 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1O ZINC001589104500 1348960800 /nfs/dbraw/zinc/96/08/00/1348960800.db2.gz DPKCLSYNDVCZTO-GXSJLCMTSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1O ZINC001589104500 1348960805 /nfs/dbraw/zinc/96/08/05/1348960805.db2.gz DPKCLSYNDVCZTO-GXSJLCMTSA-N -1 1 336.827 2.148 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccoc2Cl)n1 ZINC001589250388 1348975203 /nfs/dbraw/zinc/97/52/03/1348975203.db2.gz RUVGNRZPEPHXTN-UHFFFAOYSA-N -1 1 335.755 2.317 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccoc2Cl)n1 ZINC001589250388 1348975205 /nfs/dbraw/zinc/97/52/05/1348975205.db2.gz RUVGNRZPEPHXTN-UHFFFAOYSA-N -1 1 335.755 2.317 20 0 EEADMM CC(C)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001589319767 1348983213 /nfs/dbraw/zinc/98/32/13/1348983213.db2.gz TZAUOCKWDIGSQG-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001589319767 1348983215 /nfs/dbraw/zinc/98/32/15/1348983215.db2.gz TZAUOCKWDIGSQG-UHFFFAOYSA-N -1 1 326.335 2.066 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@H]1C(C)C ZINC001589511025 1348999018 /nfs/dbraw/zinc/99/90/18/1348999018.db2.gz SDVGBABDMROXGX-FZMZJTMJSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@H]1C(C)C ZINC001589511025 1348999020 /nfs/dbraw/zinc/99/90/20/1348999020.db2.gz SDVGBABDMROXGX-FZMZJTMJSA-N -1 1 329.408 2.406 20 0 EEADMM CC(C)N(C)c1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1F ZINC001589678475 1349018871 /nfs/dbraw/zinc/01/88/71/1349018871.db2.gz HLXCVMOMVPFJCK-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM CC(C)N(C)c1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1F ZINC001589678475 1349018878 /nfs/dbraw/zinc/01/88/78/1349018878.db2.gz HLXCVMOMVPFJCK-UHFFFAOYSA-N -1 1 328.355 2.384 20 0 EEADMM CC(C)Oc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)s2)ccn1 ZINC001589751393 1349029367 /nfs/dbraw/zinc/02/93/67/1349029367.db2.gz XVDYALBJUQADDQ-UHFFFAOYSA-N -1 1 345.384 2.467 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589819956 1349050061 /nfs/dbraw/zinc/05/00/61/1349050061.db2.gz CQTLBKUNERSNNJ-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CCCc1cccnc1)OC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589819956 1349050068 /nfs/dbraw/zinc/05/00/68/1349050068.db2.gz CQTLBKUNERSNNJ-GFCCVEGCSA-N -1 1 338.371 2.225 20 0 EEADMM C[C@H](CNc1cc(-c2nnn[n-]2)ncn1)Oc1cccc(Cl)c1 ZINC001589875912 1349053554 /nfs/dbraw/zinc/05/35/54/1349053554.db2.gz LJVVQTBGJHHLNX-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1cc(-c2nn[n-]n2)ncn1)Oc1cccc(Cl)c1 ZINC001589875912 1349053560 /nfs/dbraw/zinc/05/35/60/1349053560.db2.gz LJVVQTBGJHHLNX-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)cc2c1OCC2 ZINC001589982300 1349093135 /nfs/dbraw/zinc/09/31/35/1349093135.db2.gz WYTXRKHYPJHXKH-MRVPVSSYSA-N -1 1 343.778 2.418 20 0 EEADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)cc2c1OCC2 ZINC001589982300 1349093141 /nfs/dbraw/zinc/09/31/41/1349093141.db2.gz WYTXRKHYPJHXKH-MRVPVSSYSA-N -1 1 343.778 2.418 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nnn[n-]3)s2)[C@H]1[C@H]1CCCO1 ZINC001590109427 1349159049 /nfs/dbraw/zinc/15/90/49/1349159049.db2.gz XNLDCTWLOFNYGG-APPZFPTMSA-N -1 1 340.840 2.370 20 0 EEADMM CC1(C)CN(c2nc(Cl)c(-c3nn[n-]n3)s2)[C@H]1[C@H]1CCCO1 ZINC001590109427 1349159054 /nfs/dbraw/zinc/15/90/54/1349159054.db2.gz XNLDCTWLOFNYGG-APPZFPTMSA-N -1 1 340.840 2.370 20 0 EEADMM C[C@]1(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1(Cl)Cl ZINC001590122848 1349165050 /nfs/dbraw/zinc/16/50/50/1349165050.db2.gz AMZRPHFVZOGNLP-LBPRGKRZSA-N -1 1 342.186 2.279 20 0 EEADMM C[C@]1(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1(Cl)Cl ZINC001590122848 1349165058 /nfs/dbraw/zinc/16/50/58/1349165058.db2.gz AMZRPHFVZOGNLP-LBPRGKRZSA-N -1 1 342.186 2.279 20 0 EEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590167407 1349182815 /nfs/dbraw/zinc/18/28/15/1349182815.db2.gz FEJLJKGPRWVRDJ-HIFRSBDPSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590167407 1349182820 /nfs/dbraw/zinc/18/28/20/1349182820.db2.gz FEJLJKGPRWVRDJ-HIFRSBDPSA-N -1 1 348.410 2.355 20 0 EEADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590189429 1349190210 /nfs/dbraw/zinc/19/02/10/1349190210.db2.gz CHWOXFUURYFIRC-APPZFPTMSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590189429 1349190216 /nfs/dbraw/zinc/19/02/16/1349190216.db2.gz CHWOXFUURYFIRC-APPZFPTMSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001590236269 1349216032 /nfs/dbraw/zinc/21/60/32/1349216032.db2.gz IJQYGFSZYOHABQ-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001590236269 1349216041 /nfs/dbraw/zinc/21/60/41/1349216041.db2.gz IJQYGFSZYOHABQ-UTLUCORTSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCC[C@@H](Cn2cc3c(c(-c4nn[n-]n4)c2=O)CCCC3=O)C1 ZINC001590245440 1349224094 /nfs/dbraw/zinc/22/40/94/1349224094.db2.gz XXLHATMCIIIWED-VXGBXAGGSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590253517 1349228203 /nfs/dbraw/zinc/22/82/03/1349228203.db2.gz IHRJYTALCRUERF-UWVGGRQHSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590253517 1349228207 /nfs/dbraw/zinc/22/82/07/1349228207.db2.gz IHRJYTALCRUERF-UWVGGRQHSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001590279394 1349244645 /nfs/dbraw/zinc/24/46/45/1349244645.db2.gz KJPUZRYIKNCRQI-BZNIZROVSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001590279394 1349244649 /nfs/dbraw/zinc/24/46/49/1349244649.db2.gz KJPUZRYIKNCRQI-BZNIZROVSA-N -1 1 334.383 2.315 20 0 EEADMM C[C@H]1c2ccccc2OCCN1c1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001590338946 1349274591 /nfs/dbraw/zinc/27/45/91/1349274591.db2.gz SVYJYFUTPXUVLZ-NSHDSACASA-N -1 1 349.398 2.494 20 0 EEADMM C[C@H]1c2ccccc2OCCN1c1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001590338946 1349274593 /nfs/dbraw/zinc/27/45/93/1349274593.db2.gz SVYJYFUTPXUVLZ-NSHDSACASA-N -1 1 349.398 2.494 20 0 EEADMM CC[C@H](C)C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(=O)OC ZINC001590405029 1349307808 /nfs/dbraw/zinc/30/78/08/1349307808.db2.gz UVUMHDSSMQDEKH-NKWVEPMBSA-N -1 1 344.828 2.366 20 0 EEADMM CC[C@H](C)C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(=O)OC ZINC001590405029 1349307813 /nfs/dbraw/zinc/30/78/13/1349307813.db2.gz UVUMHDSSMQDEKH-NKWVEPMBSA-N -1 1 344.828 2.366 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CCO1 ZINC001590431690 1349322283 /nfs/dbraw/zinc/32/22/83/1349322283.db2.gz OMERNHUMZRHKDQ-OCCSQVGLSA-N -1 1 331.424 2.361 20 0 EEADMM CCC(CC)[C@@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CCO1 ZINC001590431690 1349322289 /nfs/dbraw/zinc/32/22/89/1349322289.db2.gz OMERNHUMZRHKDQ-OCCSQVGLSA-N -1 1 331.424 2.361 20 0 EEADMM CC[C@@H](CNc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001590446159 1349328552 /nfs/dbraw/zinc/32/85/52/1349328552.db2.gz OVEUGVKKYBYYPF-LBPRGKRZSA-N -1 1 340.387 2.389 20 0 EEADMM CC[C@@H](CNc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001590446159 1349328559 /nfs/dbraw/zinc/32/85/59/1349328559.db2.gz OVEUGVKKYBYYPF-LBPRGKRZSA-N -1 1 340.387 2.389 20 0 EEADMM CC[C@H](Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590450568 1349332770 /nfs/dbraw/zinc/33/27/70/1349332770.db2.gz WRQNUVVBEKHYOC-GFCCVEGCSA-N -1 1 329.795 2.165 20 0 EEADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(OC)c1OC ZINC001590473112 1349346418 /nfs/dbraw/zinc/34/64/18/1349346418.db2.gz KUNNFGDNMFRRIJ-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(OC)c1OC ZINC001590473112 1349346424 /nfs/dbraw/zinc/34/64/24/1349346424.db2.gz KUNNFGDNMFRRIJ-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@H]1CCCCCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590511453 1349362213 /nfs/dbraw/zinc/36/22/13/1349362213.db2.gz LRBTZJQZLGBBEE-JTQLQIEISA-N -1 1 341.462 2.272 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(C)nc(-c3nnn[n-]3)c2)C12CCCC2 ZINC001590790596 1349400972 /nfs/dbraw/zinc/40/09/72/1349400972.db2.gz DOGVRKTVBOSBPD-LSDHHAIUSA-N -1 1 328.420 2.142 20 0 EEADMM CCO[C@@H]1C[C@H](Nc2cc(C)nc(-c3nn[n-]n3)c2)C12CCCC2 ZINC001590790596 1349400979 /nfs/dbraw/zinc/40/09/79/1349400979.db2.gz DOGVRKTVBOSBPD-LSDHHAIUSA-N -1 1 328.420 2.142 20 0 EEADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCC2CCCCC2)c1 ZINC001591286222 1349455469 /nfs/dbraw/zinc/45/54/69/1349455469.db2.gz BWDSNXMZDSDVCJ-UHFFFAOYSA-N -1 1 345.403 2.176 20 0 EEADMM COc1ccc2c(c1)[C@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)CC2 ZINC001591625877 1349518872 /nfs/dbraw/zinc/51/88/72/1349518872.db2.gz UWHMQXNQHMRZBV-CYBMUJFWSA-N -1 1 340.339 2.242 20 0 EEADMM COc1ccc2c(c1)[C@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)CC2 ZINC001591625877 1349518882 /nfs/dbraw/zinc/51/88/82/1349518882.db2.gz UWHMQXNQHMRZBV-CYBMUJFWSA-N -1 1 340.339 2.242 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001591720092 1349533906 /nfs/dbraw/zinc/53/39/06/1349533906.db2.gz ZXPABXKSDUZYNG-JTQLQIEISA-N -1 1 349.464 2.481 20 0 EEADMM C[C@@H](CC1CCCCC1)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001591720092 1349533909 /nfs/dbraw/zinc/53/39/09/1349533909.db2.gz ZXPABXKSDUZYNG-JTQLQIEISA-N -1 1 349.464 2.481 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc(-c2nnn[n-]2)n1 ZINC001592043674 1349586906 /nfs/dbraw/zinc/58/69/06/1349586906.db2.gz JFPWTOPICVQTDG-ONGXEEELSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc(NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc(-c2nn[n-]n2)n1 ZINC001592043674 1349586909 /nfs/dbraw/zinc/58/69/09/1349586909.db2.gz JFPWTOPICVQTDG-ONGXEEELSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1cc2c(CC(=O)Nc3c[nH]nc3-c3nn[n-]n3)csc2s1 ZINC001592070925 1349588780 /nfs/dbraw/zinc/58/87/80/1349588780.db2.gz WTZJMZOGSYHKGA-UHFFFAOYSA-N -1 1 345.413 2.356 20 0 EEADMM Cc1ccc(F)c2c1CCCN2C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001592172989 1349602318 /nfs/dbraw/zinc/60/23/18/1349602318.db2.gz NQVLRFUAVJFMHL-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc(F)c2c1CCCN2C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001592172989 1349602331 /nfs/dbraw/zinc/60/23/31/1349602331.db2.gz NQVLRFUAVJFMHL-UHFFFAOYSA-N -1 1 338.346 2.302 20 0 EEADMM Cc1ccc([C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001592199396 1349605111 /nfs/dbraw/zinc/60/51/11/1349605111.db2.gz YNCMGSWOTFTTFF-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccc([C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001592199396 1349605116 /nfs/dbraw/zinc/60/51/16/1349605116.db2.gz YNCMGSWOTFTTFF-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001592201716 1349606769 /nfs/dbraw/zinc/60/67/69/1349606769.db2.gz ZUTBMLLHSHIWCH-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001592201716 1349606778 /nfs/dbraw/zinc/60/67/78/1349606778.db2.gz ZUTBMLLHSHIWCH-UHFFFAOYSA-N -1 1 334.383 2.092 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccnc(-c3nnn[n-]3)c1)CCC2 ZINC001592205186 1349608753 /nfs/dbraw/zinc/60/87/53/1349608753.db2.gz NKQXOKLAJZJFIP-HNNXBMFYSA-N -1 1 334.383 2.378 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccnc(-c3nn[n-]n3)c1)CCC2 ZINC001592205186 1349608756 /nfs/dbraw/zinc/60/87/56/1349608756.db2.gz NKQXOKLAJZJFIP-HNNXBMFYSA-N -1 1 334.383 2.378 20 0 EEADMM Cc1cccc(COCC(=O)OCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001592231438 1349613320 /nfs/dbraw/zinc/61/33/20/1349613320.db2.gz BMHCOXPJHUSORX-UHFFFAOYSA-N -1 1 344.396 2.497 20 0 EEADMM Cc1cccnc1NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001592264147 1349614975 /nfs/dbraw/zinc/61/49/75/1349614975.db2.gz RMFNRMOJFOJJHH-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1ncc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)s1 ZINC001592409160 1349628633 /nfs/dbraw/zinc/62/86/33/1349628633.db2.gz VMLZUVUAGDZGQS-ZCFIWIBFSA-N -1 1 349.807 2.171 20 0 EEADMM Cc1nsc(N2Cc3ccccc3O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592476796 1349635303 /nfs/dbraw/zinc/63/53/03/1349635303.db2.gz DPFZLIUETBAVOZ-VIFPVBQESA-N -1 1 328.401 2.419 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC001592495619 1349637180 /nfs/dbraw/zinc/63/71/80/1349637180.db2.gz NXWKSPQYDJWBCQ-UHFFFAOYSA-N -1 1 334.299 2.361 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1nc2c(cccc2F)n1C ZINC001592502802 1349640559 /nfs/dbraw/zinc/64/05/59/1349640559.db2.gz XLEQVFNATMFKAW-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1nc2c(cccc2F)n1C ZINC001592502802 1349640562 /nfs/dbraw/zinc/64/05/62/1349640562.db2.gz XLEQVFNATMFKAW-UHFFFAOYSA-N -1 1 341.306 2.046 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCCOCc1ccccc1 ZINC001592504050 1349640820 /nfs/dbraw/zinc/64/08/20/1349640820.db2.gz RODHWJOGWPGQEP-UHFFFAOYSA-N -1 1 328.328 2.142 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCCOCc1ccccc1 ZINC001592504050 1349640822 /nfs/dbraw/zinc/64/08/22/1349640822.db2.gz RODHWJOGWPGQEP-UHFFFAOYSA-N -1 1 328.328 2.142 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(F)CC1 ZINC001592505509 1349642882 /nfs/dbraw/zinc/64/28/82/1349642882.db2.gz ZDFCWYNQUZQFFJ-UHFFFAOYSA-N -1 1 344.350 2.133 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(F)CC1 ZINC001592505509 1349642886 /nfs/dbraw/zinc/64/28/86/1349642886.db2.gz ZDFCWYNQUZQFFJ-UHFFFAOYSA-N -1 1 344.350 2.133 20 0 EEADMM Clc1ccc(N2CC[C@H](Cc3nccs3)C2)nc1-c1nnn[n-]1 ZINC001592532538 1349649422 /nfs/dbraw/zinc/64/94/22/1349649422.db2.gz RCMBEDGLWSOMMA-SECBINFHSA-N -1 1 347.835 2.441 20 0 EEADMM Clc1ccc(N2CC[C@H](Cc3nccs3)C2)nc1-c1nn[n-]n1 ZINC001592532538 1349649428 /nfs/dbraw/zinc/64/94/28/1349649428.db2.gz RCMBEDGLWSOMMA-SECBINFHSA-N -1 1 347.835 2.441 20 0 EEADMM Clc1ccc2c(ccn2CCNc2ncncc2-c2nn[n-]n2)c1 ZINC001592532780 1349649910 /nfs/dbraw/zinc/64/99/10/1349649910.db2.gz CTPVOBNZXFMENP-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Clc1nc2ccccc2c(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001592538040 1349652308 /nfs/dbraw/zinc/65/23/08/1349652308.db2.gz FBASDXOVGADJIK-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1nc2ccccc2c(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001592538040 1349652310 /nfs/dbraw/zinc/65/23/10/1349652310.db2.gz FBASDXOVGADJIK-UHFFFAOYSA-N -1 1 338.762 2.470 20 0 EEADMM Clc1nc(N2CC[C@@H](c3ccncc3)C2)sc1-c1nnn[n-]1 ZINC001592541096 1349652523 /nfs/dbraw/zinc/65/25/23/1349652523.db2.gz TWZXBWQMUPBZEZ-SECBINFHSA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nc(N2CC[C@@H](c3ccncc3)C2)sc1-c1nn[n-]n1 ZINC001592541096 1349652525 /nfs/dbraw/zinc/65/25/25/1349652525.db2.gz TWZXBWQMUPBZEZ-SECBINFHSA-N -1 1 333.808 2.366 20 0 EEADMM Clc1nc(NC[C@]23C[C@H]2COC32CCC2)sc1-c1nnn[n-]1 ZINC001592540049 1349652721 /nfs/dbraw/zinc/65/27/21/1349652721.db2.gz DPPIZBKJWVAQDU-JVXZTZIISA-N -1 1 338.824 2.348 20 0 EEADMM Clc1nc(NC[C@]23C[C@H]2COC32CCC2)sc1-c1nn[n-]n1 ZINC001592540049 1349652725 /nfs/dbraw/zinc/65/27/25/1349652725.db2.gz DPPIZBKJWVAQDU-JVXZTZIISA-N -1 1 338.824 2.348 20 0 EEADMM Clc1nc(N2CC[C@@H](c3nccs3)C2)sc1-c1nnn[n-]1 ZINC001592540118 1349652764 /nfs/dbraw/zinc/65/27/64/1349652764.db2.gz GLTRBINSYJBFRH-ZCFIWIBFSA-N -1 1 339.837 2.427 20 0 EEADMM Clc1nc(N2CC[C@@H](c3nccs3)C2)sc1-c1nn[n-]n1 ZINC001592540118 1349652771 /nfs/dbraw/zinc/65/27/71/1349652771.db2.gz GLTRBINSYJBFRH-ZCFIWIBFSA-N -1 1 339.837 2.427 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1ccnc(-c2nn[n-]n2)n1 ZINC001592545118 1349655001 /nfs/dbraw/zinc/65/50/01/1349655001.db2.gz SBYJKBDKPJOXCR-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1ncncc1-c1nnn[n-]1 ZINC001592544551 1349655076 /nfs/dbraw/zinc/65/50/76/1349655076.db2.gz JOCPUMUVKUTOKW-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM Cn1c(-c2ccccc2)cnc1Sc1ncncc1-c1nn[n-]n1 ZINC001592544551 1349655078 /nfs/dbraw/zinc/65/50/78/1349655078.db2.gz JOCPUMUVKUTOKW-UHFFFAOYSA-N -1 1 336.384 2.208 20 0 EEADMM Clc1sc(NC[C@@H]2C[C@H]3CCC[C@@H]3O2)nc1-c1nn[n-]n1 ZINC001592543086 1349655115 /nfs/dbraw/zinc/65/51/15/1349655115.db2.gz MORYSDNBUMXFIZ-CSMHCCOUSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(OC(C)(C)C)c2)n1 ZINC001592559806 1349657741 /nfs/dbraw/zinc/65/77/41/1349657741.db2.gz FHQCYRFLINSVTI-UHFFFAOYSA-N -1 1 341.375 2.030 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(OC(C)(C)C)c2)n1 ZINC001592559806 1349657744 /nfs/dbraw/zinc/65/77/44/1349657744.db2.gz FHQCYRFLINSVTI-UHFFFAOYSA-N -1 1 341.375 2.030 20 0 EEADMM FC(F)(F)c1cc(NCCc2ccns2)nc(-c2nnn[n-]2)c1 ZINC001592619786 1349675563 /nfs/dbraw/zinc/67/55/63/1349675563.db2.gz UUFHGVSZAPXXGO-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM FC(F)(F)c1cc(NCCc2ccns2)nc(-c2nn[n-]n2)c1 ZINC001592619786 1349675567 /nfs/dbraw/zinc/67/55/67/1349675567.db2.gz UUFHGVSZAPXXGO-UHFFFAOYSA-N -1 1 341.322 2.392 20 0 EEADMM Fc1ccc(C(F)(F)CNCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001592646898 1349692354 /nfs/dbraw/zinc/69/23/54/1349692354.db2.gz ZYEYFFUTZNKRPE-UHFFFAOYSA-N -1 1 340.334 2.344 20 0 EEADMM Fc1ccc(C(F)(F)CNCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001592646898 1349692361 /nfs/dbraw/zinc/69/23/61/1349692361.db2.gz ZYEYFFUTZNKRPE-UHFFFAOYSA-N -1 1 340.334 2.344 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(F)c1 ZINC001592653359 1349698826 /nfs/dbraw/zinc/69/88/26/1349698826.db2.gz XSVKBHUTALMOEP-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1ccc([C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(F)c1 ZINC001592653359 1349698835 /nfs/dbraw/zinc/69/88/35/1349698835.db2.gz XSVKBHUTALMOEP-CZMCAQCFSA-N -1 1 329.314 2.293 20 0 EEADMM Fc1cccc(N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC001592657665 1349701114 /nfs/dbraw/zinc/70/11/14/1349701114.db2.gz QIJJCOZMGOAYHX-UHFFFAOYSA-N -1 1 339.378 2.482 20 0 EEADMM Fc1cccc(N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC001592657665 1349701118 /nfs/dbraw/zinc/70/11/18/1349701118.db2.gz QIJJCOZMGOAYHX-UHFFFAOYSA-N -1 1 339.378 2.482 20 0 EEADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001592983610 1349731180 /nfs/dbraw/zinc/73/11/80/1349731180.db2.gz WSAMGSIOSBNUBE-LLVKDONJSA-N -1 1 325.328 2.103 20 0 EEADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001592983610 1349731188 /nfs/dbraw/zinc/73/11/88/1349731188.db2.gz WSAMGSIOSBNUBE-LLVKDONJSA-N -1 1 325.328 2.103 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)Cc1ccccc1 ZINC001593202778 1349746346 /nfs/dbraw/zinc/74/63/46/1349746346.db2.gz MZRLNBALBKLQJD-UHFFFAOYSA-N -1 1 345.309 2.389 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cnc(Cl)c(Cl)c1 ZINC001593245456 1349749226 /nfs/dbraw/zinc/74/92/26/1349749226.db2.gz NLFOSKVDGKJNSE-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cnc(Cl)c(Cl)c1 ZINC001593245456 1349749230 /nfs/dbraw/zinc/74/92/30/1349749230.db2.gz NLFOSKVDGKJNSE-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1cc(Cl)ncc1Cl ZINC001593245469 1349749312 /nfs/dbraw/zinc/74/93/12/1349749312.db2.gz OGWZKYCGBJIAFU-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1cc(Cl)ncc1Cl ZINC001593245469 1349749315 /nfs/dbraw/zinc/74/93/15/1349749315.db2.gz OGWZKYCGBJIAFU-UHFFFAOYSA-N -1 1 336.142 2.216 20 0 EEADMM O=C(Nc1ccccc1OCc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC001593253396 1349750096 /nfs/dbraw/zinc/75/00/96/1349750096.db2.gz LZQODOIXNGYSBV-UHFFFAOYSA-N -1 1 325.328 2.387 20 0 EEADMM O=C(Nc1ccccc1OCc1ccc(-c2nn[n-]n2)o1)C1CC1 ZINC001593253396 1349750098 /nfs/dbraw/zinc/75/00/98/1349750098.db2.gz LZQODOIXNGYSBV-UHFFFAOYSA-N -1 1 325.328 2.387 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CC(c2ccc(F)cc2)C1 ZINC001593253575 1349750597 /nfs/dbraw/zinc/75/05/97/1349750597.db2.gz BJXBCIWVWJZDKF-UHFFFAOYSA-N -1 1 339.334 2.032 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CC(c2ccc(F)cc2)C1 ZINC001593253575 1349750600 /nfs/dbraw/zinc/75/06/00/1349750600.db2.gz BJXBCIWVWJZDKF-UHFFFAOYSA-N -1 1 339.334 2.032 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccc(Cl)o1 ZINC001593263851 1349754852 /nfs/dbraw/zinc/75/48/52/1349754852.db2.gz GWYIMAFUSKVLFR-UHFFFAOYSA-N -1 1 331.144 2.475 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC[C@H]1C(F)F ZINC001593264240 1349755150 /nfs/dbraw/zinc/75/51/50/1349755150.db2.gz MOEBENZZWLIRIN-BYPYZUCNSA-N -1 1 349.754 2.238 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCOC2(CCC2)C1 ZINC001593299234 1349771665 /nfs/dbraw/zinc/77/16/65/1349771665.db2.gz QQLPZEJFPJSALJ-JTQLQIEISA-N -1 1 334.401 2.321 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(C(F)(F)F)CCC1 ZINC001593301645 1349774300 /nfs/dbraw/zinc/77/43/00/1349774300.db2.gz MYYDNSVIRYIKLJ-UHFFFAOYSA-N -1 1 327.266 2.038 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(C(F)(F)F)CCC1 ZINC001593301645 1349774304 /nfs/dbraw/zinc/77/43/04/1349774304.db2.gz MYYDNSVIRYIKLJ-UHFFFAOYSA-N -1 1 327.266 2.038 20 0 EEADMM O=C(Oc1ccc(Cl)c(F)c1F)c1cccc(-c2nnn[n-]2)n1 ZINC001593307923 1349776418 /nfs/dbraw/zinc/77/64/18/1349776418.db2.gz NZBFRXCEGOUEMM-UHFFFAOYSA-N -1 1 337.673 2.413 20 0 EEADMM O=C(Oc1ccc(Cl)c(F)c1F)c1cccc(-c2nn[n-]n2)n1 ZINC001593307923 1349776422 /nfs/dbraw/zinc/77/64/22/1349776422.db2.gz NZBFRXCEGOUEMM-UHFFFAOYSA-N -1 1 337.673 2.413 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001593338141 1349784211 /nfs/dbraw/zinc/78/42/11/1349784211.db2.gz NRGLJDOHCPBVPZ-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001593338141 1349784216 /nfs/dbraw/zinc/78/42/16/1349784216.db2.gz NRGLJDOHCPBVPZ-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCC2(CCCCO2)CC1 ZINC001593350356 1349788839 /nfs/dbraw/zinc/78/88/39/1349788839.db2.gz MOVNHDFHTUSNMM-UHFFFAOYSA-N -1 1 345.378 2.181 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCC2(CCCCO2)CC1 ZINC001593350356 1349788842 /nfs/dbraw/zinc/78/88/42/1349788842.db2.gz MOVNHDFHTUSNMM-UHFFFAOYSA-N -1 1 345.378 2.181 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC001593368340 1349791899 /nfs/dbraw/zinc/79/18/99/1349791899.db2.gz YRYHHUKZLSQTBA-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC001593368340 1349791901 /nfs/dbraw/zinc/79/19/01/1349791901.db2.gz YRYHHUKZLSQTBA-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=S(=O)(NC1CCCCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001593436302 1349799923 /nfs/dbraw/zinc/79/99/23/1349799923.db2.gz RNOWLRBIQGMQQF-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM O=c1ccc(-c2ccccn2)cn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593496394 1349820042 /nfs/dbraw/zinc/82/00/42/1349820042.db2.gz KPGGOKYYQGVGGH-UHFFFAOYSA-N -1 1 336.380 2.200 20 0 EEADMM O[C@H](c1nccn1Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001593509063 1349825258 /nfs/dbraw/zinc/82/52/58/1349825258.db2.gz BZTLZUSIBNHZSH-AWEZNQCLSA-N -1 1 338.396 2.255 20 0 EEADMM OC1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC001593514461 1349827464 /nfs/dbraw/zinc/82/74/64/1349827464.db2.gz TXZCKLMJPDETAL-UHFFFAOYSA-N -1 1 344.378 2.123 20 0 EEADMM OC1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC001593514461 1349827469 /nfs/dbraw/zinc/82/74/69/1349827469.db2.gz TXZCKLMJPDETAL-UHFFFAOYSA-N -1 1 344.378 2.123 20 0 EEADMM OC[C@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC001593526997 1349830689 /nfs/dbraw/zinc/83/06/89/1349830689.db2.gz WRUXXQJSXKYQGC-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM OC[C@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC001593526997 1349830693 /nfs/dbraw/zinc/83/06/93/1349830693.db2.gz WRUXXQJSXKYQGC-QMMMGPOBSA-N -1 1 340.771 2.261 20 0 EEADMM c1ccc([C@H]2CCC[C@H](COc3cnc(-c4nn[n-]n4)nc3)O2)cc1 ZINC001593570714 1349856106 /nfs/dbraw/zinc/85/61/06/1349856106.db2.gz HPFVDVBZHMMHPY-UKRRQHHQSA-N -1 1 338.371 2.346 20 0 EEADMM c1ccc([C@@H]2CN(c3cc(-c4nnn[n-]4)ncn3)CC23CCC3)cc1 ZINC001593574268 1349858378 /nfs/dbraw/zinc/85/83/78/1349858378.db2.gz ZGOITZVSPLRHES-AWEZNQCLSA-N -1 1 333.399 2.431 20 0 EEADMM c1ccc([C@@H]2CN(c3cc(-c4nn[n-]n4)ncn3)CC23CCC3)cc1 ZINC001593574268 1349858382 /nfs/dbraw/zinc/85/83/82/1349858382.db2.gz ZGOITZVSPLRHES-AWEZNQCLSA-N -1 1 333.399 2.431 20 0 EEADMM c1c2ccccc2n2c1CN(c1ccc(-c3nnn[n-]3)nn1)CCC2 ZINC001593579608 1349860308 /nfs/dbraw/zinc/86/03/08/1349860308.db2.gz LJAUELZTLKMLEP-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1c2ccccc2n2c1CN(c1ccc(-c3nn[n-]n3)nn1)CCC2 ZINC001593579608 1349860312 /nfs/dbraw/zinc/86/03/12/1349860312.db2.gz LJAUELZTLKMLEP-UHFFFAOYSA-N -1 1 332.371 2.022 20 0 EEADMM c1sc(-c2nn[n-]n2)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC001593594112 1349869448 /nfs/dbraw/zinc/86/94/48/1349869448.db2.gz NVFFOHDKSAFPAZ-UHFFFAOYSA-N -1 1 339.428 2.154 20 0 EEADMM CCC(CC)(NCC(=O)N1CCc2[nH]c3ccccc3c2C1)C(=O)[O-] ZINC001595097583 1349881217 /nfs/dbraw/zinc/88/12/17/1349881217.db2.gz ADYADOOBZDLQEF-UHFFFAOYSA-N -1 1 343.427 2.286 20 0 EEADMM Cc1cc(NCc2c[nH]c(C(=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001600280213 1350009618 /nfs/dbraw/zinc/00/96/18/1350009618.db2.gz ADEOHZXURSVHSU-UHFFFAOYSA-N -1 1 328.416 2.385 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@](O)(C2CC2)C1 ZINC001600352095 1350026513 /nfs/dbraw/zinc/02/65/13/1350026513.db2.gz IRWZHOSJGZKPIX-DJJJIMSYSA-N -1 1 346.427 2.257 20 0 EEADMM Cc1ccc([C@@H](NCCn2cc(C(=O)[O-])nn2)c2ccccn2)cc1 ZINC001600385851 1350036668 /nfs/dbraw/zinc/03/66/68/1350036668.db2.gz RXIWCHCUYUFOFI-QGZVFWFLSA-N -1 1 337.383 2.059 20 0 EEADMM Cc1ccc(/C=C/CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC001600398667 1350040533 /nfs/dbraw/zinc/04/05/33/1350040533.db2.gz UGVLSGGJTBQKRP-CWDCEQMOSA-N -1 1 330.428 2.406 20 0 EEADMM Cc1ccc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC001600418774 1350046600 /nfs/dbraw/zinc/04/66/00/1350046600.db2.gz HBWRCOUVORDEIY-GFCCVEGCSA-N -1 1 348.424 2.191 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)cc1C(=O)[O-] ZINC001600464038 1350058013 /nfs/dbraw/zinc/05/80/13/1350058013.db2.gz OFEKQSKBVIHVQD-UHFFFAOYSA-N -1 1 335.385 2.027 20 0 EEADMM Cc1ccccc1[C@@H](N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001600571657 1350086388 /nfs/dbraw/zinc/08/63/88/1350086388.db2.gz OJRHSMGZPSBICP-WMLDXEAASA-N -1 1 344.386 2.194 20 0 EEADMM Cc1nc2cccc(C(=O)NCc3cccc(OCC(=O)[O-])c3)c2[nH]1 ZINC001600720790 1350120704 /nfs/dbraw/zinc/12/07/04/1350120704.db2.gz KQBFCJPSFCGZFJ-UHFFFAOYSA-N -1 1 339.351 2.265 20 0 EEADMM Cc1noc2ncc(CN[C@@](C)(CC(=O)[O-])c3ccncc3)cc12 ZINC001600816313 1350143597 /nfs/dbraw/zinc/14/35/97/1350143597.db2.gz SDMSWIPEWZWYOX-KRWDZBQOSA-N -1 1 326.356 2.406 20 0 EEADMM Cc1oc(CN(C)C(=O)c2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC001600841920 1350149288 /nfs/dbraw/zinc/14/92/88/1350149288.db2.gz LZBXOVWJRXKQEP-UHFFFAOYSA-N -1 1 331.250 2.300 20 0 EEADMM Cc1oc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1C(=O)[O-] ZINC001600850869 1350151646 /nfs/dbraw/zinc/15/16/46/1350151646.db2.gz BTCGCXBXONOCNM-UHFFFAOYSA-N -1 1 326.312 2.001 20 0 EEADMM Cc1sc(C(=O)[O-])cc1CN(CCO)CCOCC(F)(F)F ZINC001600866828 1350155836 /nfs/dbraw/zinc/15/58/36/1350155836.db2.gz WCAPXTUJDQQWDP-UHFFFAOYSA-N -1 1 341.351 2.128 20 0 EEADMM Cn1c2ccccc2nc1[C@@H](NC[C@](C)(O)C(=O)[O-])c1ccccc1 ZINC001600908099 1350165654 /nfs/dbraw/zinc/16/56/54/1350165654.db2.gz LOGLTAXCBJVXFO-LPHOPBHVSA-N -1 1 339.395 2.088 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1coc2ccc(Cl)cc12 ZINC001601564565 1350307430 /nfs/dbraw/zinc/30/74/30/1350307430.db2.gz BGRVVFFWGIEGPE-LBPRGKRZSA-N -1 1 333.731 2.235 20 0 EEADMM Cn1c(SCC(=O)c2ccc([O-])cc2O)nnc1-c1ccncc1 ZINC000003533186 1350309951 /nfs/dbraw/zinc/30/99/51/1350309951.db2.gz BJKAFXVGDRBTCU-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM O=C([O-])c1nc(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)cs1 ZINC001601578735 1350311453 /nfs/dbraw/zinc/31/14/53/1350311453.db2.gz CCJWKEYLYNDVDM-UHFFFAOYSA-N -1 1 330.325 2.189 20 0 EEADMM O=C([O-])[C@]1(NCc2ccns2)CCCN(Cc2ccccc2)C1 ZINC001601721415 1350348233 /nfs/dbraw/zinc/34/82/33/1350348233.db2.gz PJHJCWJNEZKVFM-KRWDZBQOSA-N -1 1 331.441 2.352 20 0 EEADMM O=C([O-])C1=NO[C@@]2(CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC001601746984 1350353948 /nfs/dbraw/zinc/35/39/48/1350353948.db2.gz VPZBUYVKGWTGCD-KRWDZBQOSA-N -1 1 344.346 2.021 20 0 EEADMM O=C([O-])CCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC001601978617 1350409866 /nfs/dbraw/zinc/40/98/66/1350409866.db2.gz WQVXXYDNCLXACQ-KRWDZBQOSA-N -1 1 331.347 2.278 20 0 EEADMM O=C([O-])Cc1ccc(NC(=O)c2ccc(Cc3nc[nH]n3)cc2)cc1 ZINC001602126276 1350445493 /nfs/dbraw/zinc/44/54/93/1350445493.db2.gz JIBHPSVKCLBEGF-UHFFFAOYSA-N -1 1 336.351 2.275 20 0 EEADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCCC3)cc1 ZINC001602131944 1350446534 /nfs/dbraw/zinc/44/65/34/1350446534.db2.gz LBDYUVHWTQBBPZ-UHFFFAOYSA-N -1 1 346.408 2.388 20 0 EEADMM O=C([O-])Cc1cccc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)n1 ZINC001602139831 1350448679 /nfs/dbraw/zinc/44/86/79/1350448679.db2.gz DDQFIGZQOPDKBH-UHFFFAOYSA-N -1 1 340.314 2.490 20 0 EEADMM O=C([O-])c1cc(-c2csc(NC(=O)C34CCCN3CCC4)n2)c[nH]1 ZINC001602235826 1350472827 /nfs/dbraw/zinc/47/28/27/1350472827.db2.gz AHLAMOQBUUVKOL-UHFFFAOYSA-N -1 1 346.412 2.403 20 0 EEADMM O=C([O-])c1cccc2c1CCN([C@@H]1C[C@@H]3CCCC[C@H]3NC1=O)C2 ZINC001602456790 1350523287 /nfs/dbraw/zinc/52/32/87/1350523287.db2.gz CXSCJJCBESMZJX-JCURWCKSSA-N -1 1 328.412 2.190 20 0 EEADMM O=C([O-])c1cnc(CSc2nc(Cc3ccccc3)n[nH]2)cn1 ZINC001602523827 1350538519 /nfs/dbraw/zinc/53/85/19/1350538519.db2.gz GTGODJCDZUMZCQ-UHFFFAOYSA-N -1 1 327.369 2.176 20 0 EEADMM O=C([O-])c1nc(CNC(=O)c2cc(F)cc3nc[nH]c32)ccc1Cl ZINC001602569115 1350549114 /nfs/dbraw/zinc/54/91/14/1350549114.db2.gz PKLAJKYXEKRCOO-UHFFFAOYSA-N -1 1 348.721 2.379 20 0 EEADMM O=C([O-])c1nsc(NC(=O)c2ccc(CN3CCCCC3)o2)n1 ZINC001602586555 1350551680 /nfs/dbraw/zinc/55/16/80/1350551680.db2.gz FORBBPIFBARISW-UHFFFAOYSA-N -1 1 336.373 2.068 20 0 EEADMM CC(C)(CNC(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCCCO1 ZINC001603147479 1350649458 /nfs/dbraw/zinc/64/94/58/1350649458.db2.gz TYWYRWRKQUOZLS-LBPRGKRZSA-N -1 1 335.433 2.253 20 0 EEADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001603241210 1350669332 /nfs/dbraw/zinc/66/93/32/1350669332.db2.gz MXPXVFGIFPXDLJ-UHFFFAOYSA-N -1 1 348.410 2.312 20 0 EEADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001603241210 1350669333 /nfs/dbraw/zinc/66/93/33/1350669333.db2.gz MXPXVFGIFPXDLJ-UHFFFAOYSA-N -1 1 348.410 2.312 20 0 EEADMM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC001603245823 1350670128 /nfs/dbraw/zinc/67/01/28/1350670128.db2.gz AIWNXCWZWHYPIB-CJNGLKHVSA-N -1 1 341.411 2.483 20 0 EEADMM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC001603245827 1350670369 /nfs/dbraw/zinc/67/03/69/1350670369.db2.gz AIWNXCWZWHYPIB-XJKSGUPXSA-N -1 1 341.411 2.483 20 0 EEADMM CC(C)C[C@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001603270025 1350676622 /nfs/dbraw/zinc/67/66/22/1350676622.db2.gz JLOWQXBNVQCULY-QMMMGPOBSA-N -1 1 328.829 2.228 20 0 EEADMM CC(C)CCc1nc(Cn2cc(-c3nn[n-]n3)ccc2=O)cs1 ZINC001603284874 1350679945 /nfs/dbraw/zinc/67/99/45/1350679945.db2.gz VHFYECQWZBSEOM-UHFFFAOYSA-N -1 1 330.417 2.122 20 0 EEADMM CC(C)c1ccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001603397144 1350700472 /nfs/dbraw/zinc/70/04/72/1350700472.db2.gz DHDZDHSWBHFTCB-UHFFFAOYSA-N -1 1 325.376 2.042 20 0 EEADMM CC(C)(C)OC(=O)N[C@H]1CN(CCC(=O)[O-])CC[C@@H]1C(F)(F)F ZINC001603449465 1350706623 /nfs/dbraw/zinc/70/66/23/1350706623.db2.gz PUDAYGUFYLRUDW-UWVGGRQHSA-N -1 1 340.342 2.239 20 0 EEADMM C[C@@H](C[S@](=O)Cc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603570289 1350722367 /nfs/dbraw/zinc/72/23/67/1350722367.db2.gz BVKUQULFGKKDKW-MYODQAERSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@@H](C[S@](=O)Cc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603570289 1350722372 /nfs/dbraw/zinc/72/23/72/1350722372.db2.gz BVKUQULFGKKDKW-MYODQAERSA-N -1 1 327.413 2.314 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1cc(-c2nnn[n-]2)ncn1 ZINC001603579155 1350723705 /nfs/dbraw/zinc/72/37/05/1350723705.db2.gz QKJZHIDMCQRHSY-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM C[C@H](Cc1ccc(Cl)cc1)N(C)c1cc(-c2nn[n-]n2)ncn1 ZINC001603579155 1350723706 /nfs/dbraw/zinc/72/37/06/1350723706.db2.gz QKJZHIDMCQRHSY-SNVBAGLBSA-N -1 1 329.795 2.378 20 0 EEADMM CC1(C)[C@@H]2C[C@H]1C(COC(=O)c1ccnc(-c3nnn[n-]3)c1)=CC2 ZINC001603795566 1350769174 /nfs/dbraw/zinc/76/91/74/1350769174.db2.gz LWCQPIANYYCPSY-STQMWFEESA-N -1 1 325.372 2.411 20 0 EEADMM CC1(C)[C@@H]2C[C@H]1C(COC(=O)c1ccnc(-c3nn[n-]n3)c1)=CC2 ZINC001603795566 1350769178 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Cc1cc(C)c(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc1CO ZINC001605643619 1351208885 /nfs/dbraw/zinc/20/88/85/1351208885.db2.gz NYCXOYJOIVPUBM-UHFFFAOYSA-N -1 1 341.346 2.367 20 0 EEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001605647298 1351209397 /nfs/dbraw/zinc/20/93/97/1351209397.db2.gz OZOUISKERGRINF-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001605647298 1351209402 /nfs/dbraw/zinc/20/94/02/1351209402.db2.gz OZOUISKERGRINF-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2)nc1-c1nnn[n-]1 ZINC001605874751 1351243591 /nfs/dbraw/zinc/24/35/91/1351243591.db2.gz PJLBMUFZHNBAKJ-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1ccc(NC[C@@](C)(O)c2ccc(F)cc2)nc1-c1nn[n-]n1 ZINC001605874751 1351243596 /nfs/dbraw/zinc/24/35/96/1351243596.db2.gz PJLBMUFZHNBAKJ-MRXNPFEDSA-N -1 1 328.351 2.029 20 0 EEADMM Cc1nc(NC(=O)c2coc(-c3nnn[n-]3)c2)ccc1Br ZINC001606060557 1351267679 /nfs/dbraw/zinc/26/76/79/1351267679.db2.gz 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ZINC001606118684 1351273749 /nfs/dbraw/zinc/27/37/49/1351273749.db2.gz KEYJQLREUWGGDU-UHFFFAOYSA-N -1 1 340.372 2.294 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC001606165750 1351279898 /nfs/dbraw/zinc/27/98/98/1351279898.db2.gz JWCJZJJOFJRTQB-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCc2c(F)ccc(F)c2C1 ZINC001606165750 1351279902 /nfs/dbraw/zinc/27/99/02/1351279902.db2.gz JWCJZJJOFJRTQB-UHFFFAOYSA-N -1 1 345.309 2.245 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001606296141 1351290187 /nfs/dbraw/zinc/29/01/87/1351290187.db2.gz ANKTXZHAIJEPCQ-CYBMUJFWSA-N -1 1 330.342 2.362 20 0 EEADMM FC(F)[C@@H](CCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001606296141 1351290191 /nfs/dbraw/zinc/29/01/91/1351290191.db2.gz ANKTXZHAIJEPCQ-CYBMUJFWSA-N -1 1 330.342 2.362 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccsc1-c1nnn[n-]1 ZINC001606682479 1351341743 /nfs/dbraw/zinc/34/17/43/1351341743.db2.gz FJLCYNRXGNSDMC-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccsc1-c1nn[n-]n1 ZINC001606682479 1351341746 /nfs/dbraw/zinc/34/17/46/1351341746.db2.gz FJLCYNRXGNSDMC-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCc1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001606818116 1351360102 /nfs/dbraw/zinc/36/01/02/1351360102.db2.gz MFKSHAWPRIXDGI-UHFFFAOYSA-N -1 1 329.385 2.330 20 0 EEADMM O=C(NCc1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606818116 1351360105 /nfs/dbraw/zinc/36/01/05/1351360105.db2.gz MFKSHAWPRIXDGI-UHFFFAOYSA-N -1 1 329.385 2.330 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606981772 1351391616 /nfs/dbraw/zinc/39/16/16/1351391616.db2.gz DVEPATAXIOKIDF-UONOGXRCSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001606981772 1351391619 /nfs/dbraw/zinc/39/16/19/1351391619.db2.gz DVEPATAXIOKIDF-UONOGXRCSA-N -1 1 339.330 2.248 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCc2ccccc2C1 ZINC001606985387 1351392791 /nfs/dbraw/zinc/39/27/91/1351392791.db2.gz NALZGTNUHCXEQU-LBPRGKRZSA-N -1 1 341.396 2.172 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCc2ccccc2C1 ZINC001606985387 1351392793 /nfs/dbraw/zinc/39/27/93/1351392793.db2.gz NALZGTNUHCXEQU-LBPRGKRZSA-N -1 1 341.396 2.172 20 0 EEADMM O[C@H]1CCC[C@H](CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)C1 ZINC001607102427 1351419150 /nfs/dbraw/zinc/41/91/50/1351419150.db2.gz XDPFBPDVMVFRMG-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM O[C@H]1CCC[C@H](CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)C1 ZINC001607102427 1351419152 /nfs/dbraw/zinc/41/91/52/1351419152.db2.gz XDPFBPDVMVFRMG-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM c1ccc(-c2nnn(Cc3nc4c(o3)CCCC4)c2-c2nn[n-]n2)cc1 ZINC001607124903 1351428925 /nfs/dbraw/zinc/42/89/25/1351428925.db2.gz HBMJZBNUOPMXLO-UHFFFAOYSA-N -1 1 348.370 2.040 20 0 EEADMM c1ccc(O[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(C4CC4)n3)C2)cc1 ZINC001607130977 1351432253 /nfs/dbraw/zinc/43/22/53/1351432253.db2.gz PMCNOWSHYMZMRY-AWEZNQCLSA-N -1 1 349.398 2.192 20 0 EEADMM c1ccc(O[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(C4CC4)n3)C2)cc1 ZINC001607130977 1351432256 /nfs/dbraw/zinc/43/22/56/1351432256.db2.gz PMCNOWSHYMZMRY-AWEZNQCLSA-N -1 1 349.398 2.192 20 0 EEADMM COc1cc(C)nc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001607149702 1351438349 /nfs/dbraw/zinc/43/83/49/1351438349.db2.gz CBVDCVRZMFDHJZ-WDEREUQCSA-N -1 1 332.322 2.484 20 0 EEADMM COc1ccc(NC(=O)[C@@H](C)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001607273251 1351462669 /nfs/dbraw/zinc/46/26/69/1351462669.db2.gz MOVDLNTYUFTXOF-CXAGYDPISA-N -1 1 342.395 2.308 20 0 EEADMM COc1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001607348279 1351480114 /nfs/dbraw/zinc/48/01/14/1351480114.db2.gz LEYLNQJPTVCCHV-UHFFFAOYSA-N -1 1 347.352 2.071 20 0 EEADMM Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](c3nccn3C)C2)c(C)c1C(=O)[O-] ZINC001607484345 1351502025 /nfs/dbraw/zinc/50/20/25/1351502025.db2.gz IDMWWGJGRYJJSK-QWHCGFSZSA-N -1 1 344.415 2.124 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC001607739985 1351549615 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EEADMM Cc1sc(C(=O)[O-])cc1NC(=O)c1cc(Br)n[nH]1 ZINC001608063053 1351617190 /nfs/dbraw/zinc/61/71/90/1351617190.db2.gz BARMCCWKSJDMMA-UHFFFAOYSA-N -1 1 330.163 2.493 20 0 EEADMM O=C([O-])c1sccc1C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC001608423389 1351692391 /nfs/dbraw/zinc/69/23/91/1351692391.db2.gz YDTWYJYKSCMNNQ-LBPRGKRZSA-N -1 1 342.380 2.126 20 0 EEADMM COC(=O)c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC001624326537 1352418854 /nfs/dbraw/zinc/41/88/54/1352418854.db2.gz VNDMITJBKMJNFP-UHFFFAOYSA-N -1 1 338.323 2.216 20 0 EEADMM CCn1ncn([N-]C(=O)c2cc(C)c(-c3ccccc3)s2)c1=O ZINC001625348403 1352446818 /nfs/dbraw/zinc/44/68/18/1352446818.db2.gz CXLDZEMIIWYEFN-UHFFFAOYSA-N -1 1 328.397 2.486 20 0 EEADMM COc1cc(Cl)ccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647948246 1353411206 /nfs/dbraw/zinc/41/12/06/1353411206.db2.gz XRZPTBRSRQNQCV-CQSZACIVSA-N -1 1 343.774 2.381 20 0 EEADMM O=S(=O)([N-]c1ccncc1F)c1c(F)cccc1Br ZINC001649743153 1353581460 /nfs/dbraw/zinc/58/14/60/1353581460.db2.gz 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1375885005 /nfs/dbraw/zinc/88/50/05/1375885005.db2.gz SWJZFCGDIHZZHC-SJCJKPOMSA-N -1 1 337.395 2.036 20 0 EEADMM Cc1ccoc1C(=O)N[C@@H](CNC(=O)c1ncccc1[O-])CC(C)C ZINC001375809173 1378020436 /nfs/dbraw/zinc/02/04/36/1378020436.db2.gz PYGSMGOVIVPIFI-CYBMUJFWSA-N -1 1 345.399 2.263 20 0 EEADMM C[C@H]1CCCN(C(=O)c2ncccc2[O-])[C@@H]1CNC(=O)CC1CCC1 ZINC001375916232 1378151840 /nfs/dbraw/zinc/15/18/40/1378151840.db2.gz SVIVJGIAHRIRNP-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])c1F ZINC001376262463 1378405558 /nfs/dbraw/zinc/40/55/58/1378405558.db2.gz SZCOIEOFZDARLQ-UHFFFAOYSA-N -1 1 345.374 2.079 20 0 EEADMM CCC[C@H](C)C(=O)N[C@@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001390468675 1388645701 /nfs/dbraw/zinc/64/57/01/1388645701.db2.gz PIEQMVBQSGAIDZ-AAEUAGOBSA-N -1 1 348.447 2.120 20 0 EEADMM CCC[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001390468698 1388645781 /nfs/dbraw/zinc/64/57/81/1388645781.db2.gz PIEQMVBQSGAIDZ-YPMHNXCESA-N -1 1 348.447 2.120 20 0 EEADMM CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001380988265 1381483311 /nfs/dbraw/zinc/48/33/11/1381483311.db2.gz FWIBVVSGKMUYDE-CABCVRRESA-N -1 1 349.479 2.151 20 0 EEADMM CCC(CC)C(=O)N(C)[C@@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001381685516 1381721526 /nfs/dbraw/zinc/72/15/26/1381721526.db2.gz GWPAEUPCYBTDEJ-AWEZNQCLSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(=O)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1F ZINC001384468396 1384107390 /nfs/dbraw/zinc/10/73/90/1384107390.db2.gz FKXKIILPGBLKNM-UHFFFAOYSA-N -1 1 345.374 2.273 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384535296 1384548692 /nfs/dbraw/zinc/54/86/92/1384548692.db2.gz NTEIDEAYDUREEP-MNOVXSKESA-N -1 1 348.447 2.119 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001384538018 1384576547 /nfs/dbraw/zinc/57/65/47/1384576547.db2.gz OXDISSXVTQNPBO-NWDGAFQWSA-N -1 1 333.432 2.237 20 0 EEADMM CCCC[C@@H](C)C(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385254402 1385403038 /nfs/dbraw/zinc/40/30/38/1385403038.db2.gz PFESMIBJWNJWJT-KGLIPLIRSA-N -1 1 333.432 2.286 20 0 EEADMM CCCC[C@](C)(F)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001385304900 1385451584 /nfs/dbraw/zinc/45/15/84/1385451584.db2.gz DHHKGASSOIMLDT-PXAZEXFGSA-N -1 1 337.395 2.036 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001385319111 1385463704 /nfs/dbraw/zinc/46/37/04/1385463704.db2.gz SAPFFCRLCRGRAN-CQSZACIVSA-N -1 1 333.432 2.288 20 0 EEADMM CCC(CC)[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001385628554 1385726437 /nfs/dbraw/zinc/72/64/37/1385726437.db2.gz UTPCTNFTBWAYSS-GXTWGEPZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1ccccc1[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001386300887 1386055238 /nfs/dbraw/zinc/05/52/38/1386055238.db2.gz LAIDUCZKGWVIOL-KGLIPLIRSA-N -1 1 341.411 2.134 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1csc(C)c1C ZINC001388058573 1387162132 /nfs/dbraw/zinc/16/21/32/1387162132.db2.gz TXMMMKGOFWEJQU-GFCCVEGCSA-N -1 1 347.440 2.404 20 0 EEADMM CC(C)c1ccoc1C(=O)NC[C@@H](C)CNC(=O)c1ncccc1[O-] ZINC001391249714 1389166448 /nfs/dbraw/zinc/16/64/48/1389166448.db2.gz UVUFXFDOUJAZOZ-LBPRGKRZSA-N -1 1 345.399 2.300 20 0 EEADMM CC(C)C[C@H](CNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ncccc1[O-] ZINC001391390117 1389337239 /nfs/dbraw/zinc/33/72/39/1389337239.db2.gz FBSIXOZSXYSFAS-PJIJBLCYSA-N -1 1 345.443 2.238 20 0 EEADMM CCc1cnc(CNCC2(NC(=O)c3ncccc3[O-])CCCC2)o1 ZINC001391756650 1389573104 /nfs/dbraw/zinc/57/31/04/1389573104.db2.gz FELOLVVPAFQFEH-UHFFFAOYSA-N -1 1 344.415 2.170 20 0 EEADMM CC(C)(C)[C@@H](CNCc1n[nH]c(=O)[n-]1)NC(=O)C1CCC2(CC2)CC1 ZINC001394823439 1390753929 /nfs/dbraw/zinc/75/39/29/1390753929.db2.gz VGHRFEJPYXRJSX-CYBMUJFWSA-N -1 1 349.479 2.101 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ncccc1[O-] ZINC001395561391 1390838446 /nfs/dbraw/zinc/83/84/46/1390838446.db2.gz PMRVNTBJSBOZJK-BFHYXJOUSA-N -1 1 333.432 2.046 20 0 EEADMM C[C@@H](CC(=O)NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001400967284 1396770726 /nfs/dbraw/zinc/77/07/26/1396770726.db2.gz RURAJMBOHKDFKC-ORAYPTAESA-N -1 1 345.443 2.192 20 0 EEADMM CCc1nc(CN(C)C[C@@H](C)NC(=O)c2ncccc2[O-])cs1 ZINC001401742791 1397542916 /nfs/dbraw/zinc/54/29/16/1397542916.db2.gz GPUMNMGBNURCMC-LLVKDONJSA-N -1 1 334.445 2.056 20 0 EEADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@@H]1CCCC1(C)C ZINC001424121862 1400919226 /nfs/dbraw/zinc/91/92/26/1400919226.db2.gz IEOIJFLMUJHCEI-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)C(=O)[C@H]1CCCC1(C)C ZINC001424121875 1400919376 /nfs/dbraw/zinc/91/93/76/1400919376.db2.gz IEOIJFLMUJHCEI-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CC[C@@H](C)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ncccc1[O-] ZINC001424890357 1401282036 /nfs/dbraw/zinc/28/20/36/1401282036.db2.gz KWTHRXFZQGPEDQ-TZMCWYRMSA-N -1 1 333.432 2.190 20 0 EEADMM CCCC(=O)N(C)C[C@H]1CCN1C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC001426716792 1402158920 /nfs/dbraw/zinc/15/89/20/1402158920.db2.gz NSFIHZSAXWGQQG-CYBMUJFWSA-N -1 1 348.447 2.087 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)CC(C1CC1)C1CC1 ZINC001427518319 1402458250 /nfs/dbraw/zinc/45/82/50/1402458250.db2.gz NUKLUHURIYWVGZ-LBPRGKRZSA-N -1 1 345.443 2.190 20 0 EEADMM CC1(CCC(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431465311 1403075025 /nfs/dbraw/zinc/07/50/25/1403075025.db2.gz QRPJXUPEZQKNQF-UONOGXRCSA-N -1 1 345.443 2.382 20 0 EEADMM CC(=O)N[C@@](C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC001433605767 1403412916 /nfs/dbraw/zinc/41/29/16/1403412916.db2.gz NEENGHDGJMTKTQ-QGZVFWFLSA-N -1 1 330.388 2.272 20 0 EEADMM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001576385306 1403570204 /nfs/dbraw/zinc/57/02/04/1403570204.db2.gz PRMBGXZGKXONIL-NSHDSACASA-N -1 1 335.371 2.240 20 0 EEADMM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001576385306 1403570205 /nfs/dbraw/zinc/57/02/05/1403570205.db2.gz PRMBGXZGKXONIL-NSHDSACASA-N -1 1 335.371 2.240 20 0 EEADMM CC[C@H](C)C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001576573452 1403584889 /nfs/dbraw/zinc/58/48/89/1403584889.db2.gz RHXNBVCGFYLRKZ-ONGXEEELSA-N -1 1 349.464 2.081 20 0 EEADMM COc1ncc(NC(=O)NC[C@H]2CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001580136952 1403832841 /nfs/dbraw/zinc/83/28/41/1403832841.db2.gz UZIDQIQFIFBULX-MNOVXSKESA-N -1 1 345.407 2.218 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001580471067 1403859893 /nfs/dbraw/zinc/85/98/93/1403859893.db2.gz OLGSNDSHMLYKCA-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM Cc1[nH]c2ccccc2c1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001580471067 1403859904 /nfs/dbraw/zinc/85/99/04/1403859904.db2.gz OLGSNDSHMLYKCA-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM CCC1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)COC1 ZINC001590495805 1403882110 /nfs/dbraw/zinc/88/21/10/1403882110.db2.gz IGPAHTWHZDSFGM-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM CCC1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)COC1 ZINC001590495805 1403882116 /nfs/dbraw/zinc/88/21/16/1403882116.db2.gz IGPAHTWHZDSFGM-UHFFFAOYSA-N -1 1 328.298 2.119 20 0 EEADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591464068 1403914906 /nfs/dbraw/zinc/91/49/06/1403914906.db2.gz AWAWDUNOFXCPQJ-NEPJUHHUSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591464068 1403914913 /nfs/dbraw/zinc/91/49/13/1403914913.db2.gz AWAWDUNOFXCPQJ-NEPJUHHUSA-N -1 1 330.392 2.092 20 0 EEADMM CSCc1ccccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001591699487 1403940861 /nfs/dbraw/zinc/94/08/61/1403940861.db2.gz BETUYORGXAGFSS-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM CSCc1ccccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001591699487 1403940867 /nfs/dbraw/zinc/94/08/67/1403940867.db2.gz BETUYORGXAGFSS-UHFFFAOYSA-N -1 1 326.385 2.377 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)CCS1 ZINC001591745751 1403943015 /nfs/dbraw/zinc/94/30/15/1403943015.db2.gz CDFAJEZUGFEHMY-SSDOTTSWSA-N -1 1 330.339 2.222 20 0 EEADMM C[C@@H]1CN(c2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)CCS1 ZINC001591745751 1403943024 /nfs/dbraw/zinc/94/30/24/1403943024.db2.gz CDFAJEZUGFEHMY-SSDOTTSWSA-N -1 1 330.339 2.222 20 0 EEADMM C[C@]12CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591778435 1403946130 /nfs/dbraw/zinc/94/61/30/1403946130.db2.gz BIGAMNCTNBKMNQ-QUIZZNFMSA-N -1 1 329.429 2.436 20 0 EEADMM C[C@]12CN(C(=O)c3ccc(-c4nn[n-]n4)s3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001591778435 1403946134 /nfs/dbraw/zinc/94/61/34/1403946134.db2.gz BIGAMNCTNBKMNQ-QUIZZNFMSA-N -1 1 329.429 2.436 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC001591891169 1403968895 /nfs/dbraw/zinc/96/88/95/1403968895.db2.gz WQURFGDBPPYNKD-YGRLFVJLSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C[C@H](O)c2ccc(F)cc2)n1 ZINC001591891169 1403968911 /nfs/dbraw/zinc/96/89/11/1403968911.db2.gz WQURFGDBPPYNKD-YGRLFVJLSA-N -1 1 343.366 2.028 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC001591889250 1403969507 /nfs/dbraw/zinc/96/95/07/1403969507.db2.gz RVHJRAWPNFOQBL-CFVMTHIKSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC001591889250 1403969515 /nfs/dbraw/zinc/96/95/15/1403969515.db2.gz RVHJRAWPNFOQBL-CFVMTHIKSA-N -1 1 328.420 2.090 20 0 EEADMM Cc1cccc2c1sc(=O)n2Cc1nc(-c2nnn[n-]2)cs1 ZINC001592246339 1404012949 /nfs/dbraw/zinc/01/29/49/1404012949.db2.gz UREQUFLWHZCOEG-UHFFFAOYSA-N -1 1 330.398 2.056 20 0 EEADMM Cc1cccc2c1sc(=O)n2Cc1nc(-c2nn[n-]n2)cs1 ZINC001592246339 1404012955 /nfs/dbraw/zinc/01/29/55/1404012955.db2.gz UREQUFLWHZCOEG-UHFFFAOYSA-N -1 1 330.398 2.056 20 0 EEADMM Cc1nsc(N[C@@H](C)[C@@H](C)NC(=O)C=C2CCC2)c1-c1nn[n-]n1 ZINC001592482289 1404701889 /nfs/dbraw/zinc/70/18/89/1404701889.db2.gz BVFILVRAXXITKC-BDAKNGLRSA-N -1 1 347.448 2.047 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H]1c1cccn1C ZINC001592498810 1404703620 /nfs/dbraw/zinc/70/36/20/1404703620.db2.gz BLWYAZFHHJLERR-CYBMUJFWSA-N -1 1 326.360 2.084 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H]1c1cccn1C ZINC001592498810 1404703624 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C[C@@H](NC(=S)N1CCN([C@@H](C)CC(=O)[O-])CC1)c1ccccc1 ZINC000827709721 601338043 /nfs/dbraw/zinc/33/80/43/601338043.db2.gz DWXHCMHTFBAYGL-UONOGXRCSA-N -1 1 335.473 2.103 20 0 EEADMM CC(C)CN1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000826885642 601357835 /nfs/dbraw/zinc/35/78/35/601357835.db2.gz FXRPWIUWXQDWDT-UHFFFAOYSA-N -1 1 343.427 2.140 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC000828440066 601521259 /nfs/dbraw/zinc/52/12/59/601521259.db2.gz KCFIWTOCBNOHNL-CABZTGNLSA-N -1 1 330.306 2.296 20 0 EEADMM CC(C)[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000827091776 601822731 /nfs/dbraw/zinc/82/27/31/601822731.db2.gz BRVDIANKPJBBOK-KRWDZBQOSA-N -1 1 333.432 2.314 20 0 EEADMM C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824762216 607529335 /nfs/dbraw/zinc/52/93/35/607529335.db2.gz FFRJMRJPJVFIIB-WYVULQQZSA-N -1 1 331.376 2.411 20 0 EEADMM C[C@H](c1ccc(F)cc1)[S@@](=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824762216 607529336 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Cc1nc2ccccc2cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826328744 607597801 /nfs/dbraw/zinc/59/78/01/607597801.db2.gz BACOHJIMLZJIRT-UHFFFAOYSA-N -1 1 346.350 2.475 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000832846092 604267147 /nfs/dbraw/zinc/26/71/47/604267147.db2.gz APADKVWAMZLNIH-NSHDSACASA-N -1 1 335.429 2.424 20 0 EEADMM CSCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000832766731 604360777 /nfs/dbraw/zinc/36/07/77/604360777.db2.gz KBAZXLLKCYGDCN-AWEZNQCLSA-N -1 1 328.865 2.446 20 0 EEADMM Cc1nc2cc(NC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)ccc2o1 ZINC000833004020 604368859 /nfs/dbraw/zinc/36/88/59/604368859.db2.gz GOKRCAHHFCHOGZ-NSHDSACASA-N -1 1 346.387 2.149 20 0 EEADMM C[C@@]1(C(=O)[O-])CCN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000263477806 604675890 /nfs/dbraw/zinc/67/58/90/604675890.db2.gz FQNTXDDEZHIIGB-OAHLLOKOSA-N -1 1 338.770 2.356 20 0 EEADMM C[C@]1(C(=O)[O-])CCN(Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000263477805 604676509 /nfs/dbraw/zinc/67/65/09/604676509.db2.gz FQNTXDDEZHIIGB-HNNXBMFYSA-N -1 1 338.770 2.356 20 0 EEADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N(C)CCOC(C)(C)C ZINC000826005602 604679662 /nfs/dbraw/zinc/67/96/62/604679662.db2.gz ZCIGSKCLNGPYOP-CYBMUJFWSA-N -1 1 336.432 2.136 20 0 EEADMM O=C([O-])COc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000833253608 604747930 /nfs/dbraw/zinc/74/79/30/604747930.db2.gz MYECXVNQWPVJMQ-UHFFFAOYSA-N -1 1 329.234 2.144 20 0 EEADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cc(Br)cn1C ZINC000833694881 604760227 /nfs/dbraw/zinc/76/02/27/604760227.db2.gz UIQBUSBREZSGJZ-UHFFFAOYSA-N -1 1 326.194 2.446 20 0 EEADMM CN(CC(C)(CO)CO)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833692297 604763921 /nfs/dbraw/zinc/76/39/21/604763921.db2.gz LWMULVPNMJJBPP-LBPRGKRZSA-N -1 1 336.215 2.042 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000833782079 604930324 /nfs/dbraw/zinc/93/03/24/604930324.db2.gz LXHHPTAZTUHERP-RYUDHWBXSA-N -1 1 333.306 2.009 20 0 EEADMM C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 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336.457 2.002 20 0 EEADMM C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)C1 ZINC000833615805 605104331 /nfs/dbraw/zinc/10/43/31/605104331.db2.gz RTGYCBSYCAJOTB-CYBMUJFWSA-N -1 1 333.432 2.183 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Cl)c1F ZINC000833625153 605112299 /nfs/dbraw/zinc/11/22/99/605112299.db2.gz JYCRNOPPDZKWHQ-JTQLQIEISA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000833624435 605206428 /nfs/dbraw/zinc/20/64/28/605206428.db2.gz IGEDDWHSZCGDFJ-LLVKDONJSA-N -1 1 349.818 2.442 20 0 EEADMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000833637456 605292010 /nfs/dbraw/zinc/29/20/10/605292010.db2.gz DTJGHKGOONIBKY-FEUHOPSXSA-N -1 1 328.359 2.231 20 0 EEADMM Cc1ccc(C[C@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833749026 605467981 /nfs/dbraw/zinc/46/79/81/605467981.db2.gz ZHYURMAVGMCXEO-HOTGVXAUSA-N -1 1 332.444 2.181 20 0 EEADMM CC[C@H](C)Oc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820876031 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CC(C)c1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n1C ZINC000820211549 606462166 /nfs/dbraw/zinc/46/21/66/606462166.db2.gz RPQJUQKYGSLUDL-UHFFFAOYSA-N -1 1 336.812 2.318 20 0 EEADMM O=C(NCc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823269593 606494832 /nfs/dbraw/zinc/49/48/32/606494832.db2.gz JPVWZHHDBTZIGE-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(NCc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823269593 606494834 /nfs/dbraw/zinc/49/48/34/606494834.db2.gz JPVWZHHDBTZIGE-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM COC(=O)c1ccc(C)c(OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821668924 606511824 /nfs/dbraw/zinc/51/18/24/606511824.db2.gz PRRSGYKPQIMMEG-UHFFFAOYSA-N -1 1 344.352 2.242 20 0 EEADMM COC(=O)c1ccc(C)c(OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821668924 606511826 /nfs/dbraw/zinc/51/18/26/606511826.db2.gz PRRSGYKPQIMMEG-UHFFFAOYSA-N -1 1 344.352 2.242 20 0 EEADMM COc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)s3)n2)ccn1 ZINC000821703186 606619828 /nfs/dbraw/zinc/61/98/28/606619828.db2.gz SNVZXRFFCUYRGY-UHFFFAOYSA-N 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340.314 2.239 20 0 EEADMM CSCCCCCCNC(=S)NN=c1[n-]ncc(N)c1Cl ZINC001320108339 1332828123 /nfs/dbraw/zinc/82/81/23/1332828123.db2.gz CXGPEXJQVIKOKA-UHFFFAOYSA-N -1 1 348.929 2.427 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc3[nH]c(C(F)F)nc32)C1 ZINC001609029142 1351818893 /nfs/dbraw/zinc/81/88/93/1351818893.db2.gz KYRHENCDVKAWTP-AWEZNQCLSA-N -1 1 327.262 2.139 20 0 EEADMM CC(C)(C)c1ccc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001609080891 1351833737 /nfs/dbraw/zinc/83/37/37/1351833737.db2.gz FVVWBRANRZDKCY-UHFFFAOYSA-N -1 1 339.403 2.216 20 0 EEADMM CCC(O)(CC)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001323403929 1333456824 /nfs/dbraw/zinc/45/68/24/1333456824.db2.gz FNWXWARALKPIBY-UHFFFAOYSA-N -1 1 327.233 2.218 20 0 EEADMM O=C(NC1CCN(c2cccc(F)c2)CC1)C(=O)c1ccc([O-])cc1 ZINC001323649656 1333508847 /nfs/dbraw/zinc/50/88/47/1333508847.db2.gz DUUUWRKMUTWIGL-UHFFFAOYSA-N -1 1 342.370 2.499 20 0 EEADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(CC(=O)N2)CC1 ZINC001324428005 1333680784 /nfs/dbraw/zinc/68/07/84/1333680784.db2.gz CECYZSASSCUDFR-UHFFFAOYSA-N -1 1 345.786 2.089 20 0 EEADMM C[C@]1(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1(Cl)Cl ZINC001609149099 1351862357 /nfs/dbraw/zinc/86/23/57/1351862357.db2.gz ZBPBYCHMPWVVKY-LBPRGKRZSA-N -1 1 342.186 2.485 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)[C@H](c2ccccc2)CO1 ZINC001609173628 1351877023 /nfs/dbraw/zinc/87/70/23/1351877023.db2.gz LCIQJOQDYFVPIS-RISCZKNCSA-N -1 1 342.428 2.285 20 0 EEADMM C[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)[C@H](c2ccccc2)CO1 ZINC001609173628 1351877029 /nfs/dbraw/zinc/87/70/29/1351877029.db2.gz LCIQJOQDYFVPIS-RISCZKNCSA-N -1 1 342.428 2.285 20 0 EEADMM CC[C@@H](C)n1ncc(Nc2cncc(-c3nnn[n-]3)n2)c1C1CC1 ZINC001609187537 1351882332 /nfs/dbraw/zinc/88/23/32/1351882332.db2.gz HWAVAACATDRDDH-SECBINFHSA-N -1 1 325.380 2.445 20 0 EEADMM CC[C@@H](C)n1ncc(Nc2cncc(-c3nn[n-]n3)n2)c1C1CC1 ZINC001609187537 1351882335 /nfs/dbraw/zinc/88/23/35/1351882335.db2.gz HWAVAACATDRDDH-SECBINFHSA-N -1 1 325.380 2.445 20 0 EEADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609189492 1351883218 /nfs/dbraw/zinc/88/32/18/1351883218.db2.gz FMPTVCJANNFNEU-UHFFFAOYSA-N -1 1 340.391 2.380 20 0 EEADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609189492 1351883222 /nfs/dbraw/zinc/88/32/22/1351883222.db2.gz FMPTVCJANNFNEU-UHFFFAOYSA-N -1 1 340.391 2.380 20 0 EEADMM CCC(CC)n1nc(C)cc1C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001609189457 1351883305 /nfs/dbraw/zinc/88/33/05/1351883305.db2.gz CHDUQGOFTMNQIO-UHFFFAOYSA-N -1 1 343.395 2.017 20 0 EEADMM CC[C@H](O)CN(Cc1nc(-c2nnn[n-]2)cs1)Cc1ccccc1 ZINC001609195273 1351885740 /nfs/dbraw/zinc/88/57/40/1351885740.db2.gz FLNQFRGFXSPFHU-ZDUSSCGKSA-N -1 1 344.444 2.096 20 0 EEADMM CC[C@H](O)CN(Cc1nc(-c2nn[n-]n2)cs1)Cc1ccccc1 ZINC001609195273 1351885744 /nfs/dbraw/zinc/88/57/44/1351885744.db2.gz FLNQFRGFXSPFHU-ZDUSSCGKSA-N -1 1 344.444 2.096 20 0 EEADMM CCC[C@@H](C)OC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001609205121 1351890759 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COCc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC001609330841 1351934966 /nfs/dbraw/zinc/93/49/66/1351934966.db2.gz SSFVUZLRGAEPOC-UHFFFAOYSA-N -1 1 330.369 2.432 20 0 EEADMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609354170 1351943319 /nfs/dbraw/zinc/94/33/19/1351943319.db2.gz OZNWYFQPUYBCIC-LLVKDONJSA-N -1 1 341.371 2.077 20 0 EEADMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001609354170 1351943322 /nfs/dbraw/zinc/94/33/22/1351943322.db2.gz OZNWYFQPUYBCIC-LLVKDONJSA-N -1 1 341.371 2.077 20 0 EEADMM COc1nc(COC(=O)c2cc(-c3nnn[n-]3)oc2C)c(C)cc1C ZINC001609365197 1351948168 /nfs/dbraw/zinc/94/81/68/1351948168.db2.gz KUXJCWPYUYDXKH-UHFFFAOYSA-N -1 1 343.343 2.146 20 0 EEADMM COc1nc(COC(=O)c2cc(-c3nn[n-]n3)oc2C)c(C)cc1C ZINC001609365197 1351948170 /nfs/dbraw/zinc/94/81/70/1351948170.db2.gz KUXJCWPYUYDXKH-UHFFFAOYSA-N -1 1 343.343 2.146 20 0 EEADMM C[S@](=O)Cc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001609368664 1351948749 /nfs/dbraw/zinc/94/87/49/1351948749.db2.gz QIMUXXXVADWFKN-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM C[S@](=O)Cc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001609368664 1351948751 /nfs/dbraw/zinc/94/87/51/1351948751.db2.gz QIMUXXXVADWFKN-QHCPKHFHSA-N -1 1 347.425 2.059 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001609403882 1351962598 /nfs/dbraw/zinc/96/25/98/1351962598.db2.gz ZKVHXCGMPZVYFL-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@]2(F)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001609403882 1351962602 /nfs/dbraw/zinc/96/26/02/1351962602.db2.gz ZKVHXCGMPZVYFL-INIZCTEOSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1ccc(F)c(C(=O)OCc2cccnc2-c2nnn[n-]2)c1F ZINC001609424150 1351971265 /nfs/dbraw/zinc/97/12/65/1351971265.db2.gz QCTXKWSBJFRPBJ-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1ccc(F)c(C(=O)OCc2cccnc2-c2nn[n-]n2)c1F ZINC001609424150 1351971268 /nfs/dbraw/zinc/97/12/68/1351971268.db2.gz QCTXKWSBJFRPBJ-UHFFFAOYSA-N -1 1 331.282 2.205 20 0 EEADMM Cc1cccnc1OC1CCN(c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001609437489 1351977310 /nfs/dbraw/zinc/97/73/10/1351977310.db2.gz IRXKJBGVACRBHU-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1cccnc1OC1CCN(c2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001609437489 1351977311 /nfs/dbraw/zinc/97/73/11/1351977311.db2.gz IRXKJBGVACRBHU-UHFFFAOYSA-N -1 1 337.387 2.013 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC001609444836 1351980447 /nfs/dbraw/zinc/98/04/47/1351980447.db2.gz VCVOJNNSRZBDLC-UHFFFAOYSA-N -1 1 337.265 2.169 20 0 EEADMM Cc1csc([C@@H](NCc2nc(-c3nnn[n-]3)cs2)C2CC2)n1 ZINC001609442350 1351979195 /nfs/dbraw/zinc/97/91/95/1351979195.db2.gz FTJDXNWFUAFVLI-NSHDSACASA-N -1 1 333.446 2.329 20 0 EEADMM Cc1csc([C@@H](NCc2nc(-c3nn[n-]n3)cs2)C2CC2)n1 ZINC001609442350 1351979196 /nfs/dbraw/zinc/97/91/96/1351979196.db2.gz FTJDXNWFUAFVLI-NSHDSACASA-N -1 1 333.446 2.329 20 0 EEADMM Cc1nsc(NC(=O)c2nc(C(C)C)oc2C)c1-c1nnn[n-]1 ZINC001609465840 1351987925 /nfs/dbraw/zinc/98/79/25/1351987925.db2.gz SGEDGZHTYCXYNG-UHFFFAOYSA-N -1 1 333.377 2.304 20 0 EEADMM Cc1nsc(NC(=O)c2nc(C(C)C)oc2C)c1-c1nn[n-]n1 ZINC001609465840 1351987926 /nfs/dbraw/zinc/98/79/26/1351987926.db2.gz SGEDGZHTYCXYNG-UHFFFAOYSA-N -1 1 333.377 2.304 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccccc1Cl ZINC001609467363 1351988767 /nfs/dbraw/zinc/98/87/67/1351988767.db2.gz COJYYAFJEYCAJZ-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccccc1Cl ZINC001609467363 1351988769 /nfs/dbraw/zinc/98/87/69/1351988769.db2.gz COJYYAFJEYCAJZ-UHFFFAOYSA-N -1 1 331.763 2.394 20 0 EEADMM Clc1nsc(NCc2nnc(C3CC3)s2)c1-c1nnn[n-]1 ZINC001609474499 1351990636 /nfs/dbraw/zinc/99/06/36/1351990636.db2.gz CKSPQSCRLODRPM-UHFFFAOYSA-N -1 1 340.825 2.318 20 0 EEADMM Clc1nsc(NCc2nnc(C3CC3)s2)c1-c1nn[n-]n1 ZINC001609474499 1351990637 /nfs/dbraw/zinc/99/06/37/1351990637.db2.gz CKSPQSCRLODRPM-UHFFFAOYSA-N -1 1 340.825 2.318 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1F ZINC001609490437 1351996259 /nfs/dbraw/zinc/99/62/59/1351996259.db2.gz VNUWYSYYVPRTPN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM Fc1ccc([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1F ZINC001609490437 1351996264 /nfs/dbraw/zinc/99/62/64/1351996264.db2.gz VNUWYSYYVPRTPN-ZDUSSCGKSA-N -1 1 329.314 2.276 20 0 EEADMM CSCC[C@H](NC(=O)Cn1cc(C)c2ccccc21)c1nn[n-]n1 ZINC001332258223 1335782772 /nfs/dbraw/zinc/78/27/72/1335782772.db2.gz FWRTTWQXOYIIJN-ZDUSSCGKSA-N -1 1 344.444 2.073 20 0 EEADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609562078 1352017859 /nfs/dbraw/zinc/01/78/59/1352017859.db2.gz QYUTYNCFGKYOHR-UHFFFAOYSA-N -1 1 339.340 2.231 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@H](Oc2ccccc2)C1 ZINC001609581960 1352026318 /nfs/dbraw/zinc/02/63/18/1352026318.db2.gz MCFTUWYTLORNOI-LBPRGKRZSA-N -1 1 341.396 2.222 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@H](Oc2ccccc2)C1 ZINC001609581960 1352026321 /nfs/dbraw/zinc/02/63/21/1352026321.db2.gz MCFTUWYTLORNOI-LBPRGKRZSA-N -1 1 341.396 2.222 20 0 EEADMM CCN(CCSC)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001338976110 1336939684 /nfs/dbraw/zinc/93/96/84/1336939684.db2.gz QIDFGUUBUAVIRB-UHFFFAOYSA-N -1 1 327.841 2.425 20 0 EEADMM Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001339800105 1337074942 /nfs/dbraw/zinc/07/49/42/1337074942.db2.gz CVXPLXZDSFJAQQ-GWCFXTLKSA-N -1 1 349.822 2.241 20 0 EEADMM CC[C@@](C)(NCC(=O)Nc1ccnn1CC1CCCCC1)C(=O)[O-] ZINC001609897101 1352114293 /nfs/dbraw/zinc/11/42/93/1352114293.db2.gz JRTXMINHKWVPFT-QGZVFWFLSA-N -1 1 336.436 2.245 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CNC1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001609900243 1352114621 /nfs/dbraw/zinc/11/46/21/1352114621.db2.gz NZOGCXYROBLCAE-LRDDRELGSA-N -1 1 336.407 2.410 20 0 EEADMM CCC[C@@H]1CN([C@H](C(=O)[O-])c2ccsc2)CCN1CCOC ZINC001609959507 1352130429 /nfs/dbraw/zinc/13/04/29/1352130429.db2.gz FSAVCKPAKPWBCD-CABCVRRESA-N -1 1 326.462 2.307 20 0 EEADMM Cc1nc(C)c(CC(=O)OCCC(F)(F)C(F)(F)F)c(=O)[n-]1 ZINC001345614123 1337454007 /nfs/dbraw/zinc/45/40/07/1337454007.db2.gz YNDZDLHSHLWEHJ-UHFFFAOYSA-N -1 1 328.237 2.472 20 0 EEADMM CCc1cccc(NC(=O)CN[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)c1 ZINC001610066151 1352153615 /nfs/dbraw/zinc/15/36/15/1352153615.db2.gz DPBUQBCJZNYPNN-KYJSFNMBSA-N -1 1 348.443 2.436 20 0 EEADMM CO[C@H](CC(C)C)CS(=O)(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001610228288 1352190594 /nfs/dbraw/zinc/19/05/94/1352190594.db2.gz FLUOJCVBBIHGNY-LLVKDONJSA-N -1 1 345.417 2.202 20 0 EEADMM COC1(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)CCCC1 ZINC000848339976 1338681646 /nfs/dbraw/zinc/68/16/46/1338681646.db2.gz KDIXYAZSCDAKFE-GHMZBOCLSA-N -1 1 336.354 2.004 20 0 EEADMM Cc1c(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cccc1C(=O)[O-] ZINC001610425490 1352220712 /nfs/dbraw/zinc/22/07/12/1352220712.db2.gz WQAJODTZCUSYHT-AWEZNQCLSA-N -1 1 349.431 2.172 20 0 EEADMM Cc1cc(C)cc(OCCC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)c1 ZINC001610455879 1352225263 /nfs/dbraw/zinc/22/52/63/1352225263.db2.gz WXLVVKZBWGORQT-MRXNPFEDSA-N -1 1 348.443 2.080 20 0 EEADMM Cc1ccc(-c2nnc([C@H](C)N3C[C@H](O)C[C@@H](C(=O)[O-])C3)o2)cc1C ZINC001610482743 1352230155 /nfs/dbraw/zinc/23/01/55/1352230155.db2.gz NWVRDBHLBBMMDP-NWANDNLSSA-N -1 1 345.399 2.182 20 0 EEADMM Cc1ccc(CCCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)s1 ZINC001610498981 1352233417 /nfs/dbraw/zinc/23/34/17/1352233417.db2.gz FONIFWPJPCLBJQ-CYBMUJFWSA-N -1 1 338.473 2.387 20 0 EEADMM Cc1cn(-c2ccccc2)nc1NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610537695 1352241011 /nfs/dbraw/zinc/24/10/11/1352241011.db2.gz PZWJTMDFYGYESI-UHFFFAOYSA-N -1 1 337.401 2.033 20 0 EEADMM NC(=O)NC1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001610638685 1352256753 /nfs/dbraw/zinc/25/67/53/1352256753.db2.gz WVGBMTLKJVFTCQ-LBPRGKRZSA-N -1 1 346.214 2.252 20 0 EEADMM Cn1nccc1[C@@H](NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC001610616073 1352254573 /nfs/dbraw/zinc/25/45/73/1352254573.db2.gz RRHTTXDSSHIBGC-GFCCVEGCSA-N -1 1 342.168 2.237 20 0 EEADMM O=C([O-])[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc(F)cc1 ZINC001610717518 1352264213 /nfs/dbraw/zinc/26/42/13/1352264213.db2.gz HSDDVOHDXIZPJC-GJZGRUSLSA-N -1 1 326.331 2.449 20 0 EEADMM CC(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC001428540006 1339560641 /nfs/dbraw/zinc/56/06/41/1339560641.db2.gz MWZUFQITWBNYOK-CABCVRRESA-N -1 1 347.459 2.438 20 0 EEADMM O=C([O-])COc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC001610786759 1352274305 /nfs/dbraw/zinc/27/43/05/1352274305.db2.gz OFXZOMXHSBXRLN-KBMXLJTQSA-N -1 1 333.384 2.368 20 0 EEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc3ncccc3c2)n1 ZINC001610796025 1352276156 /nfs/dbraw/zinc/27/61/56/1352276156.db2.gz AQYNFPZUSRIVAX-UHFFFAOYSA-N -1 1 343.364 2.058 20 0 EEADMM CC[C@H]1CC[C@H](C(=O)NC[C@@H](C)NC(=O)c2ncccc2[O-])CC1 ZINC001428740801 1339659777 /nfs/dbraw/zinc/65/97/77/1339659777.db2.gz OEAIMKHBIIVORB-MGPQQGTHSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC001429999547 1340085314 /nfs/dbraw/zinc/08/53/14/1340085314.db2.gz GYXICEUGXLSJJQ-YMAMQOFZSA-N -1 1 345.443 2.286 20 0 EEADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])NC(=O)c1cccs1 ZINC001433089083 1341494874 /nfs/dbraw/zinc/49/48/74/1341494874.db2.gz KFAKBQRISIHPMJ-NSHDSACASA-N -1 1 333.413 2.033 20 0 EEADMM CCC1(CC)[C@H](NS(=O)(=O)c2cc(OC)ccc2[O-])C[C@H]1OC ZINC001434559535 1341872621 /nfs/dbraw/zinc/87/26/21/1341872621.db2.gz JQAMLNRTLRTSIH-HUUCEWRRSA-N -1 1 343.445 2.273 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)N1CCC(c2nn[n-]n2)CC1)C(F)(F)F ZINC001434727301 1341928993 /nfs/dbraw/zinc/92/89/93/1341928993.db2.gz VVVQVRMFLAJSJX-SCZZXKLOSA-N -1 1 334.346 2.066 20 0 EEADMM CCn1nc(C)c(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC001578805979 1344304656 /nfs/dbraw/zinc/30/46/56/1344304656.db2.gz PZUPWUNYXYMANG-UHFFFAOYSA-N -1 1 346.420 2.083 20 0 EEADMM COc1cnc([C@H]2CCCN2C(=O)c2cc(N)ccc2C)[n-]c1=O ZINC001579322090 1344370673 /nfs/dbraw/zinc/37/06/73/1344370673.db2.gz MFLJFZKYQDNSKM-CYBMUJFWSA-N -1 1 328.372 2.059 20 0 EEADMM COC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)CC1CCCC1 ZINC001579434770 1344381776 /nfs/dbraw/zinc/38/17/76/1344381776.db2.gz ZUFXNTWWBQJJQG-GFCCVEGCSA-N -1 1 330.392 2.043 20 0 EEADMM COC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)CC1CCCC1 ZINC001579434770 1344381780 /nfs/dbraw/zinc/38/17/80/1344381780.db2.gz ZUFXNTWWBQJJQG-GFCCVEGCSA-N -1 1 330.392 2.043 20 0 EEADMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001580083756 1344469336 /nfs/dbraw/zinc/46/93/36/1344469336.db2.gz QSNCIPKGBYUBAO-NWDGAFQWSA-N -1 1 341.396 2.223 20 0 EEADMM COc1ncc(NC(=O)NC[C@H]2CCCC[C@H]2C)cc1-c1nn[n-]n1 ZINC001580136161 1344478809 /nfs/dbraw/zinc/47/88/09/1344478809.db2.gz NPPPCVDNHXJXLE-GHMZBOCLSA-N -1 1 345.407 2.218 20 0 EEADMM CS(=O)(=O)c1ccc(SCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001580171428 1344484537 /nfs/dbraw/zinc/48/45/37/1344484537.db2.gz OEMXQEXXFYDHQK-UHFFFAOYSA-N -1 1 336.398 2.156 20 0 EEADMM CS(=O)(=O)c1ccc(SCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001580171428 1344484539 /nfs/dbraw/zinc/48/45/39/1344484539.db2.gz OEMXQEXXFYDHQK-UHFFFAOYSA-N -1 1 336.398 2.156 20 0 EEADMM Cc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C ZINC001581210455 1344597824 /nfs/dbraw/zinc/59/78/24/1344597824.db2.gz RXLUHFRMJMJQPM-UHFFFAOYSA-N -1 1 343.412 2.240 20 0 EEADMM Cc1sc(Cl)nc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581741833 1344658820 /nfs/dbraw/zinc/65/88/20/1344658820.db2.gz QMPQHEQSPJSHOZ-UHFFFAOYSA-N -1 1 340.821 2.277 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC=C(c2ccncc2)C1 ZINC001582745064 1344788752 /nfs/dbraw/zinc/78/87/52/1344788752.db2.gz QSVBPVQQTWPHQJ-UHFFFAOYSA-N -1 1 338.396 2.253 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1nc(C2CCOCC2)ns1 ZINC001582816893 1344796441 /nfs/dbraw/zinc/79/64/41/1344796441.db2.gz SDRDHPVVLMYCTI-UHFFFAOYSA-N -1 1 349.445 2.286 20 0 EEADMM c1ccc(-c2nnn(C[C@@H]3C[C@@H]4CCC[C@H]4O3)c2-c2nn[n-]n2)cc1 ZINC001582817260 1344796563 /nfs/dbraw/zinc/79/65/63/1344796563.db2.gz BKCPZEYIAAXPEJ-MELADBBJSA-N -1 1 337.387 2.083 20 0 EEADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1c(F)cccc1F ZINC001588942555 1348949681 /nfs/dbraw/zinc/94/96/81/1348949681.db2.gz CRGPBTYFCIZSPJ-VIFPVBQESA-N -1 1 344.325 2.306 20 0 EEADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1c(F)cccc1F ZINC001588942555 1348949686 /nfs/dbraw/zinc/94/96/86/1348949686.db2.gz CRGPBTYFCIZSPJ-VIFPVBQESA-N -1 1 344.325 2.306 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001588999260 1348952442 /nfs/dbraw/zinc/95/24/42/1348952442.db2.gz IVDGJHHWEGHMJC-NSHDSACASA-N -1 1 348.366 2.428 20 0 EEADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001588999260 1348952446 /nfs/dbraw/zinc/95/24/46/1348952446.db2.gz IVDGJHHWEGHMJC-NSHDSACASA-N -1 1 348.366 2.428 20 0 EEADMM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)o1)c1ccc2c(c1)OCO2 ZINC001589030564 1348953168 /nfs/dbraw/zinc/95/31/68/1348953168.db2.gz OAQHPCBOPBKDSB-SECBINFHSA-N -1 1 342.311 2.035 20 0 EEADMM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)o1)c1ccc2c(c1)OCO2 ZINC001589030564 1348953169 /nfs/dbraw/zinc/95/31/69/1348953169.db2.gz OAQHPCBOPBKDSB-SECBINFHSA-N -1 1 342.311 2.035 20 0 EEADMM CC(C)(C)OC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC001589145477 1348965393 /nfs/dbraw/zinc/96/53/93/1348965393.db2.gz SMAXAZMKTYRRGF-LBPRGKRZSA-N -1 1 344.419 2.432 20 0 EEADMM CC(C)(C)OC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC001589145477 1348965396 /nfs/dbraw/zinc/96/53/96/1348965396.db2.gz SMAXAZMKTYRRGF-LBPRGKRZSA-N -1 1 344.419 2.432 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589197583 1348968542 /nfs/dbraw/zinc/96/85/42/1348968542.db2.gz OKGLSTIZNHMWSK-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589197583 1348968549 /nfs/dbraw/zinc/96/85/49/1348968549.db2.gz OKGLSTIZNHMWSK-NSHDSACASA-N -1 1 345.407 2.073 20 0 EEADMM CC(C)(C)OCc1cc(CNc2cccc(-c3nnn[n-]3)n2)no1 ZINC001589198697 1348969929 /nfs/dbraw/zinc/96/99/29/1348969929.db2.gz KQEKWYKBPZOWAB-UHFFFAOYSA-N -1 1 329.364 2.177 20 0 EEADMM CC(C)(C)OCc1cc(CNc2cccc(-c3nn[n-]n3)n2)no1 ZINC001589198697 1348969931 /nfs/dbraw/zinc/96/99/31/1348969931.db2.gz KQEKWYKBPZOWAB-UHFFFAOYSA-N -1 1 329.364 2.177 20 0 EEADMM CC(C)=CCCNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589376681 1348988194 /nfs/dbraw/zinc/98/81/94/1348988194.db2.gz KBNXCHQOWFCMAC-UHFFFAOYSA-N -1 1 327.801 2.454 20 0 EEADMM CC(C)=CCOC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589379555 1348988210 /nfs/dbraw/zinc/98/82/10/1348988210.db2.gz RNRBIRMDPBLHDI-UHFFFAOYSA-N -1 1 327.266 2.404 20 0 EEADMM C[C@@H](CCCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001589821506 1349051228 /nfs/dbraw/zinc/05/12/28/1349051228.db2.gz UHWPAMFLOZZLLW-NSHDSACASA-N -1 1 325.376 2.187 20 0 EEADMM C[C@@H](CCCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001589821506 1349051231 /nfs/dbraw/zinc/05/12/31/1349051231.db2.gz UHWPAMFLOZZLLW-NSHDSACASA-N -1 1 325.376 2.187 20 0 EEADMM C[C@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC(C)(C)C ZINC001589825391 1349051738 /nfs/dbraw/zinc/05/17/38/1349051738.db2.gz PDNARTDYZIOZNL-SNVBAGLBSA-N -1 1 334.428 2.184 20 0 EEADMM C[C@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC(C)(C)C ZINC001589825391 1349051741 /nfs/dbraw/zinc/05/17/41/1349051741.db2.gz PDNARTDYZIOZNL-SNVBAGLBSA-N -1 1 334.428 2.184 20 0 EEADMM C[C@@H](CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001589875057 1349053278 /nfs/dbraw/zinc/05/32/78/1349053278.db2.gz QQPLJNBJVZXURB-VIFPVBQESA-N -1 1 343.478 2.030 20 0 EEADMM C[C@@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O)C(C)(C)C ZINC001589905229 1349060067 /nfs/dbraw/zinc/06/00/67/1349060067.db2.gz VXMLYRUVGFPTHJ-JTQLQIEISA-N -1 1 329.404 2.230 20 0 EEADMM C[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccnn1C1CCC1 ZINC001589975812 1349089687 /nfs/dbraw/zinc/08/96/87/1349089687.db2.gz GYRQZQUXTJFQHS-VIFPVBQESA-N -1 1 330.421 2.096 20 0 EEADMM C[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccnn1C1CCC1 ZINC001589975812 1349089690 /nfs/dbraw/zinc/08/96/90/1349089690.db2.gz GYRQZQUXTJFQHS-VIFPVBQESA-N -1 1 330.421 2.096 20 0 EEADMM C[C@@H](SCc1ccc(-c2nnn[n-]2)o1)C(=O)NCc1cccs1 ZINC001590032579 1349118850 /nfs/dbraw/zinc/11/88/50/1349118850.db2.gz AQDRZDNJUBUKAO-SECBINFHSA-N -1 1 349.441 2.459 20 0 EEADMM C[C@@H](SCc1ccc(-c2nn[n-]n2)o1)C(=O)NCc1cccs1 ZINC001590032579 1349118853 /nfs/dbraw/zinc/11/88/53/1349118853.db2.gz AQDRZDNJUBUKAO-SECBINFHSA-N -1 1 349.441 2.459 20 0 EEADMM CC1(C)[C@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1(F)F ZINC001590076804 1349140512 /nfs/dbraw/zinc/14/05/12/1349140512.db2.gz LQKGLLLCCLLPHY-VIFPVBQESA-N -1 1 342.375 2.019 20 0 EEADMM CC1(C)CCc2sc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)nc21 ZINC001590101184 1349156145 /nfs/dbraw/zinc/15/61/45/1349156145.db2.gz WPYOCAMRXYQVNZ-UHFFFAOYSA-N -1 1 341.400 2.194 20 0 EEADMM CC1(C)CCc2sc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)nc21 ZINC001590101184 1349156159 /nfs/dbraw/zinc/15/61/59/1349156159.db2.gz WPYOCAMRXYQVNZ-UHFFFAOYSA-N -1 1 341.400 2.194 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001590104141 1349157871 /nfs/dbraw/zinc/15/78/71/1349157871.db2.gz SKHHAEUKTTVBOF-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(C)CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001590104141 1349157876 /nfs/dbraw/zinc/15/78/76/1349157876.db2.gz SKHHAEUKTTVBOF-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(C)CO[C@H](CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001590112267 1349160097 /nfs/dbraw/zinc/16/00/97/1349160097.db2.gz FCRCGBBPKNNWKW-ZCFIWIBFSA-N -1 1 342.812 2.120 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001590120687 1349163176 /nfs/dbraw/zinc/16/31/76/1349163176.db2.gz AZLRNPZTNCIWIG-UONOGXRCSA-N -1 1 337.387 2.315 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001590120687 1349163180 /nfs/dbraw/zinc/16/31/80/1349163180.db2.gz AZLRNPZTNCIWIG-UONOGXRCSA-N -1 1 337.387 2.315 20 0 EEADMM C[C@@]12CCN(c3cccnc3-c3nnn[n-]3)C[C@@H]1C2(Cl)Cl ZINC001590154996 1349177004 /nfs/dbraw/zinc/17/70/04/1349177004.db2.gz GBXCNPWLSIJTBE-JOYOIKCWSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@@]12CCN(c3cccnc3-c3nn[n-]n3)C[C@@H]1C2(Cl)Cl ZINC001590154996 1349177012 /nfs/dbraw/zinc/17/70/12/1349177012.db2.gz GBXCNPWLSIJTBE-JOYOIKCWSA-N -1 1 325.203 2.282 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590215780 1349204097 /nfs/dbraw/zinc/20/40/97/1349204097.db2.gz XPQLWKIPBMRCBC-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590215780 1349204101 /nfs/dbraw/zinc/20/41/01/1349204101.db2.gz XPQLWKIPBMRCBC-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCC(F)(F)CN1C(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590229691 1349214875 /nfs/dbraw/zinc/21/48/75/1349214875.db2.gz JOVLRSRVGOCACH-QMMMGPOBSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@H]1CCC(F)(F)CN1C(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590229691 1349214881 /nfs/dbraw/zinc/21/48/81/1349214881.db2.gz JOVLRSRVGOCACH-QMMMGPOBSA-N -1 1 325.294 2.266 20 0 EEADMM C[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590247534 1349225468 /nfs/dbraw/zinc/22/54/68/1349225468.db2.gz BUBDHAPOACQXGE-ZANVPECISA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590247534 1349225473 /nfs/dbraw/zinc/22/54/73/1349225473.db2.gz BUBDHAPOACQXGE-ZANVPECISA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC001590252257 1349226284 /nfs/dbraw/zinc/22/62/84/1349226284.db2.gz KLAOSSUUQIQYDK-VHSXEESVSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC001590252257 1349226290 /nfs/dbraw/zinc/22/62/90/1349226290.db2.gz KLAOSSUUQIQYDK-VHSXEESVSA-N -1 1 341.462 2.175 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001590270401 1349240691 /nfs/dbraw/zinc/24/06/91/1349240691.db2.gz VSCLJPOIQMIGEP-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590270401 1349240694 /nfs/dbraw/zinc/24/06/94/1349240694.db2.gz VSCLJPOIQMIGEP-WBMJQRKESA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001590270399 1349240699 /nfs/dbraw/zinc/24/06/99/1349240699.db2.gz VSCLJPOIQMIGEP-LRDDRELGSA-N -1 1 334.383 2.485 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590270399 1349240703 /nfs/dbraw/zinc/24/07/03/1349240703.db2.gz VSCLJPOIQMIGEP-LRDDRELGSA-N -1 1 334.383 2.485 20 0 EEADMM CCC(=O)Nc1ccc(Nc2cc(-c3nnn[n-]3)nc(CC)n2)cc1 ZINC001590365276 1349286449 /nfs/dbraw/zinc/28/64/49/1349286449.db2.gz OCGBBAZCFIFDTD-UHFFFAOYSA-N -1 1 338.375 2.311 20 0 EEADMM CCC(=O)Nc1ccc(Nc2cc(-c3nn[n-]n3)nc(CC)n2)cc1 ZINC001590365276 1349286463 /nfs/dbraw/zinc/28/64/63/1349286463.db2.gz OCGBBAZCFIFDTD-UHFFFAOYSA-N -1 1 338.375 2.311 20 0 EEADMM CCC(C)(C)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001590375850 1349291612 /nfs/dbraw/zinc/29/16/12/1349291612.db2.gz RZSLGVMIFANHEJ-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CCC(C)(C)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001590375850 1349291617 /nfs/dbraw/zinc/29/16/17/1349291617.db2.gz RZSLGVMIFANHEJ-UHFFFAOYSA-N -1 1 341.412 2.110 20 0 EEADMM CC/C(C)=C/C(=O)NC[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001590393590 1349300967 /nfs/dbraw/zinc/30/09/67/1349300967.db2.gz PCOYBWCADQLKSB-OLKPEBQYSA-N -1 1 349.464 2.152 20 0 EEADMM CC[C@@H](CNc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590445583 1349327556 /nfs/dbraw/zinc/32/75/56/1349327556.db2.gz FCWLQFZRAIFZRO-NSHDSACASA-N -1 1 326.360 2.080 20 0 EEADMM CC[C@@H](CNc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590445583 1349327560 /nfs/dbraw/zinc/32/75/60/1349327560.db2.gz FCWLQFZRAIFZRO-NSHDSACASA-N -1 1 326.360 2.080 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](O)C(F)(F)F ZINC001590474345 1349347364 /nfs/dbraw/zinc/34/73/64/1349347364.db2.gz FLLYOFJQRLZVHZ-WUJLRWPWSA-N -1 1 342.734 2.090 20 0 EEADMM CC[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](O)C(F)(F)F ZINC001590474345 1349347367 /nfs/dbraw/zinc/34/73/67/1349347367.db2.gz FLLYOFJQRLZVHZ-WUJLRWPWSA-N -1 1 342.734 2.090 20 0 EEADMM CCN(CC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590683100 1349387559 /nfs/dbraw/zinc/38/75/59/1349387559.db2.gz VBWZWJJAXQCOPG-UHFFFAOYSA-N -1 1 341.412 2.063 20 0 EEADMM CCc1cc(=O)oc2cc(Oc3ccnc(-c4nn[n-]n4)n3)ccc12 ZINC001590878571 1349407939 /nfs/dbraw/zinc/40/79/39/1349407939.db2.gz VFRFPLWQNJFNBM-UHFFFAOYSA-N -1 1 336.311 2.118 20 0 EEADMM CCc1nc(NCCCOc2cccc(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590919863 1349411951 /nfs/dbraw/zinc/41/19/51/1349411951.db2.gz YVXDUNONTZLJID-UHFFFAOYSA-N -1 1 339.403 2.409 20 0 EEADMM CCc1nc(NCCCOc2cccc(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590919863 1349411956 /nfs/dbraw/zinc/41/19/56/1349411956.db2.gz YVXDUNONTZLJID-UHFFFAOYSA-N -1 1 339.403 2.409 20 0 EEADMM COCOc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001591451876 1349487650 /nfs/dbraw/zinc/48/76/50/1349487650.db2.gz HCAGRUBRNCVEDH-UHFFFAOYSA-N -1 1 331.357 2.163 20 0 EEADMM COc1cc(C)nc(COC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001591522621 1349496805 /nfs/dbraw/zinc/49/68/05/1349496805.db2.gz RSGCNNOVKPYQHO-UHFFFAOYSA-N -1 1 343.318 2.075 20 0 EEADMM COc1cc(C)nc(COC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001591522621 1349496812 /nfs/dbraw/zinc/49/68/12/1349496812.db2.gz RSGCNNOVKPYQHO-UHFFFAOYSA-N -1 1 343.318 2.075 20 0 EEADMM COc1cc(SC)ccc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591555638 1349506663 /nfs/dbraw/zinc/50/66/63/1349506663.db2.gz ZIFGOIBRVKKLHC-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1cc(SC)ccc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591555638 1349506672 /nfs/dbraw/zinc/50/66/72/1349506672.db2.gz ZIFGOIBRVKKLHC-UHFFFAOYSA-N -1 1 342.384 2.245 20 0 EEADMM COc1cccc2c1CC[C@H]2NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591642785 1349519801 /nfs/dbraw/zinc/51/98/01/1349519801.db2.gz KPMRUZMUASFMBV-CYBMUJFWSA-N -1 1 339.355 2.194 20 0 EEADMM COc1cccc2c1CC[C@H]2NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591642785 1349519807 /nfs/dbraw/zinc/51/98/07/1349519807.db2.gz KPMRUZMUASFMBV-CYBMUJFWSA-N -1 1 339.355 2.194 20 0 EEADMM COc1cccc2c1OC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C2 ZINC001591643686 1349522995 /nfs/dbraw/zinc/52/29/95/1349522995.db2.gz QLKQUFNTEHSOGM-JTQLQIEISA-N -1 1 344.400 2.056 20 0 EEADMM COc1ccccc1CCC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001591648709 1349524161 /nfs/dbraw/zinc/52/41/61/1349524161.db2.gz RMARPKUSQLQDRC-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM COc1ccccc1CCC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001591648709 1349524169 /nfs/dbraw/zinc/52/41/69/1349524169.db2.gz RMARPKUSQLQDRC-UHFFFAOYSA-N -1 1 344.400 2.212 20 0 EEADMM COc1ccccc1C(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001591646589 1349524581 /nfs/dbraw/zinc/52/45/81/1349524581.db2.gz DUMWTEWNXVKPIB-UHFFFAOYSA-N -1 1 327.344 2.133 20 0 EEADMM COc1ccccc1C(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591646589 1349524590 /nfs/dbraw/zinc/52/45/90/1349524590.db2.gz DUMWTEWNXVKPIB-UHFFFAOYSA-N -1 1 327.344 2.133 20 0 EEADMM Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001591940228 1349564724 /nfs/dbraw/zinc/56/47/24/1349564724.db2.gz YSUYLTIDKWIISG-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1cc(C(F)(F)F)ncc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001591940228 1349564730 /nfs/dbraw/zinc/56/47/30/1349564730.db2.gz YSUYLTIDKWIISG-UHFFFAOYSA-N -1 1 349.276 2.236 20 0 EEADMM Cc1cc(N[C@@H](C)c2cnn(CC3CCC3)c2)cc(-c2nnn[n-]2)n1 ZINC001592034410 1349586224 /nfs/dbraw/zinc/58/62/24/1349586224.db2.gz KLISRDMNOLUXBM-LBPRGKRZSA-N -1 1 338.419 2.162 20 0 EEADMM Cc1cc(N[C@@H](C)c2cnn(CC3CCC3)c2)cc(-c2nn[n-]n2)n1 ZINC001592034410 1349586226 /nfs/dbraw/zinc/58/62/26/1349586226.db2.gz KLISRDMNOLUXBM-LBPRGKRZSA-N -1 1 338.419 2.162 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1-c1nn[n-]n1 ZINC001592329751 1349621900 /nfs/dbraw/zinc/62/19/00/1349621900.db2.gz FHDYAFNYQNSBKE-UHFFFAOYSA-N -1 1 339.693 2.082 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592429064 1349631657 /nfs/dbraw/zinc/63/16/57/1349631657.db2.gz FJFPERGVURRHJH-SECBINFHSA-N -1 1 343.391 2.211 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592429064 1349631660 /nfs/dbraw/zinc/63/16/60/1349631660.db2.gz FJFPERGVURRHJH-SECBINFHSA-N -1 1 343.391 2.211 20 0 EEADMM Cc1nnc(-c2cccc(NC(=O)c3coc(-c4nnn[n-]4)c3)c2)o1 ZINC001592439634 1349631833 /nfs/dbraw/zinc/63/18/33/1349631833.db2.gz DVEYFHNPGGNOLQ-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1nnc(-c2cccc(NC(=O)c3coc(-c4nn[n-]n4)c3)c2)o1 ZINC001592439634 1349631835 /nfs/dbraw/zinc/63/18/35/1349631835.db2.gz DVEYFHNPGGNOLQ-UHFFFAOYSA-N -1 1 337.299 2.070 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2cccc(C(F)F)c2)c1-c1nnn[n-]1 ZINC001592433494 1349631894 /nfs/dbraw/zinc/63/18/94/1349631894.db2.gz BEKQSBAIBGCINL-UHFFFAOYSA-N -1 1 347.329 2.027 20 0 EEADMM Cc1nn(C)c(NC(=O)Cc2cccc(C(F)F)c2)c1-c1nn[n-]n1 ZINC001592433494 1349631896 /nfs/dbraw/zinc/63/18/96/1349631896.db2.gz BEKQSBAIBGCINL-UHFFFAOYSA-N -1 1 347.329 2.027 20 0 EEADMM Cc1nsc(N(C)C(=O)c2coc(C(C)(C)C)n2)c1-c1nnn[n-]1 ZINC001592468056 1349634718 /nfs/dbraw/zinc/63/47/18/1349634718.db2.gz ZDAZLLLRYCSUOH-UHFFFAOYSA-N -1 1 347.404 2.194 20 0 EEADMM Cc1nsc(N(C)C(=O)c2coc(C(C)(C)C)n2)c1-c1nn[n-]n1 ZINC001592468056 1349634719 /nfs/dbraw/zinc/63/47/19/1349634719.db2.gz ZDAZLLLRYCSUOH-UHFFFAOYSA-N -1 1 347.404 2.194 20 0 EEADMM Cc1nsc(NC[C@H](c2ccnn2C)C(C)C)c1-c1nn[n-]n1 ZINC001592488215 1349636910 /nfs/dbraw/zinc/63/69/10/1349636910.db2.gz YQMNMVGYCXFLSH-JTQLQIEISA-N -1 1 332.437 2.217 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC001592502097 1349638017 /nfs/dbraw/zinc/63/80/17/1349638017.db2.gz KYYDXRJPRUQNQC-NXEZZACHSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCC1C[C@@H](C)O[C@H](C)C1 ZINC001592502097 1349638018 /nfs/dbraw/zinc/63/80/18/1349638018.db2.gz KYYDXRJPRUQNQC-NXEZZACHSA-N -1 1 333.392 2.092 20 0 EEADMM Cc1occc1-c1nnc(SCc2ccc(-c3nnn[n-]3)o2)n1C ZINC001592510277 1349643618 /nfs/dbraw/zinc/64/36/18/1349643618.db2.gz AGDQMLDOIHHKCF-UHFFFAOYSA-N -1 1 343.372 2.449 20 0 EEADMM Cc1occc1-c1nnc(SCc2ccc(-c3nn[n-]n3)o2)n1C ZINC001592510277 1349643619 /nfs/dbraw/zinc/64/36/19/1349643619.db2.gz AGDQMLDOIHHKCF-UHFFFAOYSA-N -1 1 343.372 2.449 20 0 EEADMM Cn1c(CSCc2nc(-c3nnn[n-]3)cs2)nnc1C1CCC1 ZINC001592554480 1349657486 /nfs/dbraw/zinc/65/74/86/1349657486.db2.gz QGUHLMFEIYHXNZ-UHFFFAOYSA-N -1 1 348.461 2.153 20 0 EEADMM Cn1c(CSCc2nc(-c3nn[n-]n3)cs2)nnc1C1CCC1 ZINC001592554480 1349657488 /nfs/dbraw/zinc/65/74/88/1349657488.db2.gz QGUHLMFEIYHXNZ-UHFFFAOYSA-N -1 1 348.461 2.153 20 0 EEADMM Cn1cc([C@H](Nc2cccc(-c3nnn[n-]3)n2)c2ccccc2)cn1 ZINC001592567884 1349659714 /nfs/dbraw/zinc/65/97/14/1349659714.db2.gz STXNYHQFWFSICD-MRXNPFEDSA-N -1 1 332.371 2.197 20 0 EEADMM Cn1cc([C@H](Nc2cccc(-c3nn[n-]n3)n2)c2ccccc2)cn1 ZINC001592567884 1349659718 /nfs/dbraw/zinc/65/97/18/1349659718.db2.gz STXNYHQFWFSICD-MRXNPFEDSA-N -1 1 332.371 2.197 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(-c2nnn[n-]2)ncn1 ZINC001592654463 1349698713 /nfs/dbraw/zinc/69/87/13/1349698713.db2.gz KKKJTXHCPHLRCT-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(-c2nn[n-]n2)ncn1 ZINC001592654463 1349698718 /nfs/dbraw/zinc/69/87/18/1349698718.db2.gz KKKJTXHCPHLRCT-LLVKDONJSA-N -1 1 327.323 2.122 20 0 EEADMM Fc1cccc(CC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)c1 ZINC001592655621 1349700011 /nfs/dbraw/zinc/70/00/11/1349700011.db2.gz YXUZASWVDBXWCD-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(CC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001592655621 1349700014 /nfs/dbraw/zinc/70/00/14/1349700014.db2.gz YXUZASWVDBXWCD-UHFFFAOYSA-N -1 1 325.351 2.373 20 0 EEADMM Fc1cccc(-n2cccn2)c1CNc1cccc(-c2nnn[n-]2)n1 ZINC001592655332 1349700325 /nfs/dbraw/zinc/70/03/25/1349700325.db2.gz SEEGNDDGGMLOLI-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM Fc1cccc(-n2cccn2)c1CNc1cccc(-c2nn[n-]n2)n1 ZINC001592655332 1349700328 /nfs/dbraw/zinc/70/03/28/1349700328.db2.gz SEEGNDDGGMLOLI-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1cccc(Cl)n1 ZINC001593136497 1349739833 /nfs/dbraw/zinc/73/98/33/1349739833.db2.gz OJMUBYVLBQPTIE-UHFFFAOYSA-N -1 1 335.780 2.298 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cncc2ccccc21 ZINC001593137207 1349739969 /nfs/dbraw/zinc/73/99/69/1349739969.db2.gz QYENGPJKUFMMJA-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-n2cccn2)cc1 ZINC001593202622 1349746015 /nfs/dbraw/zinc/74/60/15/1349746015.db2.gz KLBOGUHWYKBUPL-UHFFFAOYSA-N -1 1 347.338 2.010 20 0 EEADMM O=C(OC/C=C\Cl)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593286031 1349762638 /nfs/dbraw/zinc/76/26/38/1349762638.db2.gz AFRPAOMIDGYQMA-UPHRSURJSA-N -1 1 333.657 2.190 20 0 EEADMM O=C(Oc1ccccc1Br)c1coc(-c2nnn[n-]2)c1 ZINC001593309439 1349777891 /nfs/dbraw/zinc/77/78/91/1349777891.db2.gz GHDZADQCNRDYGD-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(Oc1ccccc1Br)c1coc(-c2nn[n-]n2)c1 ZINC001593309439 1349777898 /nfs/dbraw/zinc/77/78/98/1349777898.db2.gz GHDZADQCNRDYGD-UHFFFAOYSA-N -1 1 335.117 2.441 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)o1)N(c1nc2ccccc2o1)C1CC1 ZINC001593340411 1349785022 /nfs/dbraw/zinc/78/50/22/1349785022.db2.gz KYHJCGJMDDCQCG-UHFFFAOYSA-N -1 1 336.311 2.410 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCSC2(CCC2)CC1 ZINC001593362781 1349790395 /nfs/dbraw/zinc/79/03/95/1349790395.db2.gz YGTITZBRNJXWEK-UHFFFAOYSA-N -1 1 335.458 2.430 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCSC2(CCC2)CC1 ZINC001593362781 1349790401 /nfs/dbraw/zinc/79/04/01/1349790401.db2.gz YGTITZBRNJXWEK-UHFFFAOYSA-N -1 1 335.458 2.430 20 0 EEADMM O=C1CCCc2c1cn(CC1CCCCC1)c(=O)c2-c1nn[n-]n1 ZINC001593395481 1349797014 /nfs/dbraw/zinc/79/70/14/1349797014.db2.gz ODCKSTWMCDHADO-UHFFFAOYSA-N -1 1 327.388 2.128 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001593519379 1349830178 /nfs/dbraw/zinc/83/01/78/1349830178.db2.gz LZBAFZNWUOQYCC-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001593519379 1349830182 /nfs/dbraw/zinc/83/01/82/1349830182.db2.gz LZBAFZNWUOQYCC-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM c1ccc2c(c1)CC[C@@H]2c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593581860 1349863458 /nfs/dbraw/zinc/86/34/58/1349863458.db2.gz XQLSLHLXERSKSH-ZDUSSCGKSA-N -1 1 331.339 2.390 20 0 EEADMM c1ccc2c(c1)CC[C@@H]2c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593581860 1349863462 /nfs/dbraw/zinc/86/34/62/1349863462.db2.gz XQLSLHLXERSKSH-ZDUSSCGKSA-N -1 1 331.339 2.390 20 0 EEADMM c1coc(CN(Cc2ccccc2)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001593585204 1349865751 /nfs/dbraw/zinc/86/57/51/1349865751.db2.gz DSBBKLBTHRUORB-UHFFFAOYSA-N -1 1 333.355 2.457 20 0 EEADMM Cc1ccc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C)c1Br ZINC001600413112 1350044925 /nfs/dbraw/zinc/04/49/25/1350044925.db2.gz PNFCMTCFADXMJE-CHWSQXEVSA-N -1 1 342.233 2.333 20 0 EEADMM Cc1ccc2cccc(C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)c2n1 ZINC001600501002 1350067763 /nfs/dbraw/zinc/06/77/63/1350067763.db2.gz ZLNBDNZEVMLTJJ-AWEZNQCLSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1cccc(CN2CC[C@H](NC(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC001600532582 1350075121 /nfs/dbraw/zinc/07/51/21/1350075121.db2.gz NEXAGBXWGYMESO-AWEZNQCLSA-N -1 1 328.368 2.291 20 0 EEADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)N[C@@H](C)C(=O)NCC(=O)[O-] ZINC001600679268 1350115529 /nfs/dbraw/zinc/11/55/29/1350115529.db2.gz WEWLBVDASJPHOM-PWSUYJOCSA-N -1 1 347.440 2.358 20 0 EEADMM Cc1nc(NC(=O)[C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC001600711010 1350119516 /nfs/dbraw/zinc/11/95/16/1350119516.db2.gz ZZYCDIXTGSXZDY-FZMZJTMJSA-N -1 1 347.440 2.372 20 0 EEADMM Cc1nn(C)c(Cl)c1CN1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC001600772565 1350132876 /nfs/dbraw/zinc/13/28/76/1350132876.db2.gz XLVSHZQGUSWPIG-YUTCNCBUSA-N -1 1 341.839 2.226 20 0 EEADMM Cc1nnc(SCCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)[nH]1 ZINC001600799415 1350139990 /nfs/dbraw/zinc/13/99/90/1350139990.db2.gz PJQJAMNFCOGHJE-JTQLQIEISA-N -1 1 348.428 2.497 20 0 EEADMM Cc1sc([C@@H]2CCCN2C[C@H](O)CCOC(C)C)nc1C(=O)[O-] ZINC001600882382 1350159863 /nfs/dbraw/zinc/15/98/63/1350159863.db2.gz KUSNZCGLGSOVSJ-OLZOCXBDSA-N -1 1 342.461 2.463 20 0 EEADMM N[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001601171520 1350224961 /nfs/dbraw/zinc/22/49/61/1350224961.db2.gz DCVOVZJDNMFCHK-GFCCVEGCSA-N -1 1 342.273 2.313 20 0 EEADMM O=C(CN1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)Nc1nc2c(s1)CCCC2 ZINC001601317956 1350256185 /nfs/dbraw/zinc/25/61/85/1350256185.db2.gz GENMJKVYVLSJAU-DYVFJYSZSA-N -1 1 349.456 2.290 20 0 EEADMM O=C(CN[C@@H]1CCO[C@H]1c1ccccc1)NC1(C(=O)[O-])CCCCC1 ZINC001601328156 1350258226 /nfs/dbraw/zinc/25/82/26/1350258226.db2.gz ABVUPJVKCHTQKJ-WBVHZDCISA-N -1 1 346.427 2.010 20 0 EEADMM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC001601486297 1350293993 /nfs/dbraw/zinc/29/39/93/1350293993.db2.gz MJVJRPGRPULFBH-AWEZNQCLSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])c1cc(Oc2ccc(NC(=O)Nc3c[nH]nn3)cc2)ccn1 ZINC001601609607 1350318567 /nfs/dbraw/zinc/31/85/67/1350318567.db2.gz LVURYRIPCKBUOW-UHFFFAOYSA-N -1 1 340.299 2.334 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 ZINC001601614426 1350320030 /nfs/dbraw/zinc/32/00/30/1350320030.db2.gz QCWFFQLRESKNST-QWHCGFSZSA-N -1 1 342.399 2.208 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(CN3CCCC3)o1)CC2 ZINC001601773813 1350361221 /nfs/dbraw/zinc/36/12/21/1350361221.db2.gz MEPONNXGIVVUSV-CQSZACIVSA-N -1 1 332.400 2.202 20 0 EEADMM O=C([O-])CC1CC(NC2(c3ncc(Br)cn3)CCC2)C1 ZINC001601944825 1350403138 /nfs/dbraw/zinc/40/31/38/1350403138.db2.gz AGUVIEIRAWGZAA-UHFFFAOYSA-N -1 1 340.221 2.461 20 0 EEADMM O=C([O-])C[C@H]1CCCCN1CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC001601949445 1350404079 /nfs/dbraw/zinc/40/40/79/1350404079.db2.gz ASFJBKHFFCCXBV-WBVHZDCISA-N -1 1 343.427 2.422 20 0 EEADMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001601954157 1350404985 /nfs/dbraw/zinc/40/49/85/1350404985.db2.gz ZREBPWDEQHBCDH-CYBMUJFWSA-N -1 1 336.388 2.020 20 0 EEADMM O=C([O-])CC[C@@H]1CCCN(Cc2cnc(C3OCCO3)s2)C1 ZINC001601976984 1350409288 /nfs/dbraw/zinc/40/92/88/1350409288.db2.gz CTQFGGZEVRYUQX-NSHDSACASA-N -1 1 326.418 2.265 20 0 EEADMM O=C([O-])CCN(Cc1cccnc1Br)C1CCOCC1 ZINC001602008296 1350417736 /nfs/dbraw/zinc/41/77/36/1350417736.db2.gz HASFRLQYFJNNIZ-UHFFFAOYSA-N -1 1 343.221 2.300 20 0 EEADMM O=C([O-])Cc1ccccc1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001602147156 1350451227 /nfs/dbraw/zinc/45/12/27/1350451227.db2.gz WHPOGUZTKVUSMM-UHFFFAOYSA-N -1 1 327.384 2.236 20 0 EEADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC001602169589 1350456506 /nfs/dbraw/zinc/45/65/06/1350456506.db2.gz NOTQUJPYKVRICE-OAHLLOKOSA-N -1 1 345.374 2.173 20 0 EEADMM O=C([O-])[C@H]1CCCN(CN2C(=O)C3(CCC3)[C@H]2c2ccccc2)C1 ZINC001602212226 1350467329 /nfs/dbraw/zinc/46/73/29/1350467329.db2.gz QOUCORFXEIRIFK-JKSUJKDBSA-N -1 1 328.412 2.494 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)[nH]n1 ZINC001602298111 1350487655 /nfs/dbraw/zinc/48/76/55/1350487655.db2.gz KRFBHTOMWGRFRA-UHFFFAOYSA-N -1 1 337.140 2.182 20 0 EEADMM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc(Br)n[nH]1)CC2 ZINC001602423555 1350516362 /nfs/dbraw/zinc/51/63/62/1350516362.db2.gz ZTRHTCTVLVJQRL-UHFFFAOYSA-N -1 1 336.145 2.073 20 0 EEADMM O=C([O-])c1ccc2c(cnn2CN2CCOC[C@H](C3CCC3)C2)c1 ZINC001602426363 1350516804 /nfs/dbraw/zinc/51/68/04/1350516804.db2.gz UIIGSRGNAVDOBK-MRXNPFEDSA-N -1 1 329.400 2.441 20 0 EEADMM O=C([O-])c1ccncc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001602486896 1350530682 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CC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccc(OC)c(OC)c1 ZINC001604065289 1350845255 /nfs/dbraw/zinc/84/52/55/1350845255.db2.gz UTQYDWGZGFKYMR-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccc(OC)c(OC)c1 ZINC001604065289 1350845258 /nfs/dbraw/zinc/84/52/58/1350845258.db2.gz UTQYDWGZGFKYMR-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001604093607 1350854147 /nfs/dbraw/zinc/85/41/47/1350854147.db2.gz KLXULHZYGGFUIR-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM CCC1(c2ccccc2)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001604093607 1350854150 /nfs/dbraw/zinc/85/41/50/1350854150.db2.gz KLXULHZYGGFUIR-UHFFFAOYSA-N -1 1 334.383 2.066 20 0 EEADMM CCCc1ncc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)o1 ZINC001604248200 1350902408 /nfs/dbraw/zinc/90/24/08/1350902408.db2.gz VXFKTQFEXUSIFO-UHFFFAOYSA-N -1 1 348.313 2.015 20 0 EEADMM CCCc1ncc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)o1 ZINC001604248200 1350902412 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/nfs/dbraw/zinc/58/66/03/1376586603.db2.gz QDJSYZPIPPTZHC-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM C=Cc1ccc(C(=O)NC[C@H](CC)NC(=O)c2ncccc2[O-])cc1 ZINC001375251550 1377541781 /nfs/dbraw/zinc/54/17/81/1377541781.db2.gz KFNQDNOVYKHZFJ-HNNXBMFYSA-N -1 1 339.395 2.369 20 0 EEADMM CCC1(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CC1 ZINC001381409691 1381603667 /nfs/dbraw/zinc/60/36/67/1381603667.db2.gz KNMVDVLTZAHWMO-QWHCGFSZSA-N -1 1 331.416 2.135 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H](CNC(=O)CC(C)(C)C)C1CC1 ZINC001381702900 1381730724 /nfs/dbraw/zinc/73/07/24/1381730724.db2.gz KWBBAFMQUXPYDA-CYBMUJFWSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)CC(=O)NC[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001383499971 1382514114 /nfs/dbraw/zinc/51/41/14/1382514114.db2.gz LKXUVILGJOPUTD-KBPBESRZSA-N -1 1 333.432 2.048 20 0 EEADMM CC(C)C(=O)N[C@]1(CNC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001390873112 1388838224 /nfs/dbraw/zinc/83/82/24/1388838224.db2.gz DZBUSCFEBWHDQM-ACJLOTCBSA-N -1 1 333.432 2.238 20 0 EEADMM CCCN(C(=O)C1CCC1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001385785673 1385841535 /nfs/dbraw/zinc/84/15/35/1385841535.db2.gz ZVGUIHQOFRFCPP-UHFFFAOYSA-N -1 1 345.443 2.431 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001387182268 1386555839 /nfs/dbraw/zinc/55/58/39/1386555839.db2.gz UHNJFJSKVOUUSB-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CCC(CC)[C@@H](C)C(=O)NC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001387230019 1386582736 /nfs/dbraw/zinc/58/27/36/1386582736.db2.gz YWDVZOOMWJSHAO-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM CCC[C@@H](CC)C(=O)N1CCC2(CCN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001391868414 1389673393 /nfs/dbraw/zinc/67/33/93/1389673393.db2.gz JZMOMTOFJIUNML-CQSZACIVSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H](CNC(=O)c1cccc(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC001395161476 1390796057 /nfs/dbraw/zinc/79/60/57/1390796057.db2.gz BAAFKDCQAOQEBG-NSHDSACASA-N -1 1 347.802 2.331 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)NCCN(C)C(=O)c1ncccc1[O-] ZINC001397986394 1391600302 /nfs/dbraw/zinc/60/03/02/1391600302.db2.gz RSEAJAXDQKCVCR-CYBMUJFWSA-N -1 1 335.448 2.438 20 0 EEADMM O=C(CCC1CCCCCC1)NC[C@H](NCc1n[nH]c(=O)[n-]1)C1CC1 ZINC001398429263 1392653902 /nfs/dbraw/zinc/65/39/02/1392653902.db2.gz XZSQHDQOAHUGHK-HNNXBMFYSA-N -1 1 349.479 2.245 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001399475644 1395138476 /nfs/dbraw/zinc/13/84/76/1395138476.db2.gz NUTSJYMPEBTVRE-CYBMUJFWSA-N -1 1 333.432 2.238 20 0 EEADMM CN(CCN(C)C(=O)[C@H]1CCCC1(C)C)C(=O)c1ncccc1[O-] ZINC001399699795 1395419245 /nfs/dbraw/zinc/41/92/45/1395419245.db2.gz XRVORTYVPCRQEV-CYBMUJFWSA-N -1 1 333.432 2.144 20 0 EEADMM O=C(CC1CCC1)NC[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001400331512 1396207886 /nfs/dbraw/zinc/20/78/86/1396207886.db2.gz WMNMRKIFTSGPOD-HUUCEWRRSA-N -1 1 345.443 2.382 20 0 EEADMM C[C@@H](NC(=O)C1(C)CCCCC1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001427070381 1402313647 /nfs/dbraw/zinc/31/36/47/1402313647.db2.gz ZKPDHPWZQWOIGJ-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)CCC(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001428124963 1402632829 /nfs/dbraw/zinc/63/28/29/1402632829.db2.gz WVRBBJNJIZZIST-KGLIPLIRSA-N -1 1 333.432 2.333 20 0 EEADMM CC1(CCC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001431465314 1403074817 /nfs/dbraw/zinc/07/48/17/1403074817.db2.gz QRPJXUPEZQKNQF-ZIAGYGMSSA-N -1 1 345.443 2.382 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCN(CC[C@H]3CCC[C@H](C)C3)CC2)c1[O-] ZINC001433417692 1403392969 /nfs/dbraw/zinc/39/29/69/1403392969.db2.gz BFMXZZQMKXIWHN-DZGCQCFKSA-N -1 1 334.464 2.398 20 0 EEADMM COC(=O)CC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCC1 ZINC001434652202 1403478434 /nfs/dbraw/zinc/47/84/34/1403478434.db2.gz CRZFZUNCVJKQGD-UHFFFAOYSA-N -1 1 347.383 2.367 20 0 EEADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)c2cc(F)c(F)cc2O1 ZINC001576315675 1403564756 /nfs/dbraw/zinc/56/47/56/1403564756.db2.gz XKQMQJAWYZVCAC-ZETCQYMHSA-N -1 1 347.281 2.166 20 0 EEADMM CCN(C(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1cccc(C)c1F ZINC001577804572 1403686704 /nfs/dbraw/zinc/68/67/04/1403686704.db2.gz LZGOHKAKXVKCJA-UHFFFAOYSA-N -1 1 340.362 2.305 20 0 EEADMM CCN(C(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1cccc(C)c1F ZINC001577804572 1403686716 /nfs/dbraw/zinc/68/67/16/1403686716.db2.gz LZGOHKAKXVKCJA-UHFFFAOYSA-N -1 1 340.362 2.305 20 0 EEADMM CCc1ccc([C@H](C)CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001578523792 1403768394 /nfs/dbraw/zinc/76/83/94/1403768394.db2.gz PRJJZGIJTQEPPE-LLVKDONJSA-N -1 1 339.403 2.295 20 0 EEADMM CCc1ccc([C@H](C)CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001578523792 1403768397 /nfs/dbraw/zinc/76/83/97/1403768397.db2.gz PRJJZGIJTQEPPE-LLVKDONJSA-N -1 1 339.403 2.295 20 0 EEADMM COc1ccc(F)c(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001580032974 1403810955 /nfs/dbraw/zinc/81/09/55/1403810955.db2.gz SIKDAWXRXCHBGY-UHFFFAOYSA-N -1 1 333.348 2.006 20 0 EEADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)C1CCCCCC1 ZINC001580607484 1403863201 /nfs/dbraw/zinc/86/32/01/1403863201.db2.gz XSTWXUOGLVHMRJ-NSHDSACASA-N -1 1 344.419 2.364 20 0 EEADMM Cc1ccc(NC(=O)CSc2cccnc2-c2nnn[n-]2)cc1 ZINC001581207939 1403876703 /nfs/dbraw/zinc/87/67/03/1403876703.db2.gz CMWWCTPTZCCCAY-UHFFFAOYSA-N -1 1 326.385 2.301 20 0 EEADMM Cc1ccc(NC(=O)CSc2cccnc2-c2nn[n-]n2)cc1 ZINC001581207939 1403876719 /nfs/dbraw/zinc/87/67/19/1403876719.db2.gz CMWWCTPTZCCCAY-UHFFFAOYSA-N -1 1 326.385 2.301 20 0 EEADMM CC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H](CC)O1 ZINC001590522370 1403883056 /nfs/dbraw/zinc/88/30/56/1403883056.db2.gz FKTIECCBWOPMBL-OCAPTIKFSA-N -1 1 328.829 2.370 20 0 EEADMM CC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H](CC)O1 ZINC001590522370 1403883065 /nfs/dbraw/zinc/88/30/65/1403883065.db2.gz FKTIECCBWOPMBL-OCAPTIKFSA-N -1 1 328.829 2.370 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1ccsc1-c1nnn[n-]1 ZINC001590752811 1403895755 /nfs/dbraw/zinc/89/57/55/1403895755.db2.gz QVSXLBMXMDWQAF-JTQLQIEISA-N -1 1 338.389 2.063 20 0 EEADMM CCOC(=O)[C@H](CC(C)C)OC(=O)c1ccsc1-c1nn[n-]n1 ZINC001590752811 1403895761 /nfs/dbraw/zinc/89/57/61/1403895761.db2.gz QVSXLBMXMDWQAF-JTQLQIEISA-N -1 1 338.389 2.063 20 0 EEADMM CO[C@H](Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2)C1CCCC1 ZINC001591335730 1403906606 /nfs/dbraw/zinc/90/66/06/1403906606.db2.gz XLGBXUNRVDATLD-OAHLLOKOSA-N -1 1 343.431 2.112 20 0 EEADMM COCc1cc(O)ccc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001591455540 1403913740 /nfs/dbraw/zinc/91/37/40/1403913740.db2.gz IOSRLDTUUFAOIG-UHFFFAOYSA-N -1 1 331.357 2.033 20 0 EEADMM C[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC001591683803 1403937747 /nfs/dbraw/zinc/93/77/47/1403937747.db2.gz ZVLUCEJDSSNGDV-PIWWNVKXSA-N -1 1 340.840 2.017 20 0 EEADMM C[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC001591683803 1403937753 /nfs/dbraw/zinc/93/77/53/1403937753.db2.gz ZVLUCEJDSSNGDV-PIWWNVKXSA-N -1 1 340.840 2.017 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC001591889663 1403969146 /nfs/dbraw/zinc/96/91/46/1403969146.db2.gz YBZTYBPOQRPMEY-UONOGXRCSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC001591889663 1403969155 /nfs/dbraw/zinc/96/91/55/1403969155.db2.gz YBZTYBPOQRPMEY-UONOGXRCSA-N -1 1 328.420 2.213 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2noc(-c3ccccc3)n2)n1 ZINC001591890536 1403970275 /nfs/dbraw/zinc/97/02/75/1403970275.db2.gz ABLXYWQCNMRAJM-JTQLQIEISA-N -1 1 349.358 2.188 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2noc(-c3ccccc3)n2)n1 ZINC001591890536 1403970280 /nfs/dbraw/zinc/97/02/80/1403970280.db2.gz ABLXYWQCNMRAJM-JTQLQIEISA-N -1 1 349.358 2.188 20 0 EEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592134905 1404002424 /nfs/dbraw/zinc/00/24/24/1404002424.db2.gz AUJKAIMUVQRWSV-JTQLQIEISA-N -1 1 349.441 2.276 20 0 EEADMM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001592134905 1404002428 /nfs/dbraw/zinc/00/24/28/1404002428.db2.gz AUJKAIMUVQRWSV-JTQLQIEISA-N -1 1 349.441 2.276 20 0 EEADMM Cc1nsc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC001592480247 1404698986 /nfs/dbraw/zinc/69/89/86/1404698986.db2.gz VLBZLSKNOIGJEN-UHFFFAOYSA-N -1 1 336.327 2.091 20 0 EEADMM Cc1nsc(NC(=O)Cc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC001592480247 1404699003 /nfs/dbraw/zinc/69/90/03/1404699003.db2.gz VLBZLSKNOIGJEN-UHFFFAOYSA-N -1 1 336.327 2.091 20 0 EEADMM Cc1nsc(NCc2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC001592492893 1404701635 /nfs/dbraw/zinc/70/16/35/1404701635.db2.gz BMIGBSXWIDDUOW-UHFFFAOYSA-N -1 1 330.373 2.015 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(F)c(F)c2F)c1-c1nnn[n-]1 ZINC001592481668 1404701745 /nfs/dbraw/zinc/70/17/45/1404701745.db2.gz GJMUCKLCUAWNAL-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1nsc(NC(=O)c2ccc(F)c(F)c2F)c1-c1nn[n-]n1 ZINC001592481668 1404701753 /nfs/dbraw/zinc/70/17/53/1404701753.db2.gz GJMUCKLCUAWNAL-UHFFFAOYSA-N -1 1 340.290 2.301 20 0 EEADMM Cc1nsc(NCCN(C)C(=O)/C=C/C(C)(C)C)c1-c1nn[n-]n1 ZINC001592492832 1404701814 /nfs/dbraw/zinc/70/18/14/1404701814.db2.gz NJYGZESRRKFJRG-VOTSOKGWSA-N -1 1 349.464 2.104 20 0 EEADMM Cc1nsc(S[C@@H](C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC001592494429 1404702876 /nfs/dbraw/zinc/70/28/76/1404702876.db2.gz RBIPHXXSYJLHMW-ZETCQYMHSA-N -1 1 327.435 2.454 20 0 EEADMM Cc1nsc(S[C@@H](C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001592494429 1404702884 /nfs/dbraw/zinc/70/28/84/1404702884.db2.gz RBIPHXXSYJLHMW-ZETCQYMHSA-N -1 1 327.435 2.454 20 0 EEADMM Fc1ccccc1CSCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001592661310 1404705844 /nfs/dbraw/zinc/70/58/44/1404705844.db2.gz FLAOORXAVIOVSZ-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM Fc1ccccc1CSCCNc1cnc(-c2nn[n-]n2)cn1 ZINC001592661310 1404705854 /nfs/dbraw/zinc/70/58/54/1404705854.db2.gz FLAOORXAVIOVSZ-UHFFFAOYSA-N -1 1 331.380 2.141 20 0 EEADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc(-c2nnn[n-]2)s1 ZINC001593029009 1404735018 /nfs/dbraw/zinc/73/50/18/1404735018.db2.gz IIPODFFTOIQPMD-SNVBAGLBSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NC[C@H]1CCC2(CCC2)CO1)c1ccc(-c2nn[n-]n2)s1 ZINC001593029009 1404735021 /nfs/dbraw/zinc/73/50/21/1404735021.db2.gz IIPODFFTOIQPMD-SNVBAGLBSA-N -1 1 333.417 2.007 20 0 EEADMM O=C(NCCOCc1ccc(Cl)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593099712 1404741577 /nfs/dbraw/zinc/74/15/77/1404741577.db2.gz TYKFBCFUNUAYLG-UHFFFAOYSA-N -1 1 347.762 2.060 20 0 EEADMM O=C(NCCOCc1ccc(Cl)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593099712 1404741579 /nfs/dbraw/zinc/74/15/79/1404741579.db2.gz TYKFBCFUNUAYLG-UHFFFAOYSA-N -1 1 347.762 2.060 20 0 EEADMM Cc1nc(C(C)C)oc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001606033743 1404758604 /nfs/dbraw/zinc/75/86/04/1404758604.db2.gz DTMKCWJKEYBNKJ-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cc1nc(C(C)C)oc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001606033743 1404758609 /nfs/dbraw/zinc/75/86/09/1404758609.db2.gz DTMKCWJKEYBNKJ-UHFFFAOYSA-N -1 1 328.332 2.039 20 0 EEADMM Cc1cccc(OCCCNc2cc(-c3nnn[n-]3)nc(C)n2)c1C ZINC001606073763 1404762714 /nfs/dbraw/zinc/76/27/14/1404762714.db2.gz SNBZKDJVFAUZRE-UHFFFAOYSA-N -1 1 339.403 2.463 20 0 EEADMM Cc1cccc(OCCCNc2cc(-c3nn[n-]n3)nc(C)n2)c1C ZINC001606073763 1404762719 /nfs/dbraw/zinc/76/27/19/1404762719.db2.gz SNBZKDJVFAUZRE-UHFFFAOYSA-N -1 1 339.403 2.463 20 0 EEADMM Cc1nc(NCc2nc(-c3cccs3)c[nH]2)cc(-c2nnn[n-]2)n1 ZINC001606077585 1404763337 /nfs/dbraw/zinc/76/33/37/1404763337.db2.gz XBTULZDNSCUAQZ-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1nc(NCc2nc(-c3cccs3)c[nH]2)cc(-c2nn[n-]n2)n1 ZINC001606077585 1404763340 /nfs/dbraw/zinc/76/33/40/1404763340.db2.gz XBTULZDNSCUAQZ-UHFFFAOYSA-N -1 1 339.388 2.029 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OCc1cccc2c1CCOC2 ZINC001606170511 1404773256 /nfs/dbraw/zinc/77/32/56/1404773256.db2.gz DSLXMWMXEMKILR-UHFFFAOYSA-N -1 1 340.339 2.198 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OCc1cccc2c1CCOC2 ZINC001606170511 1404773258 /nfs/dbraw/zinc/77/32/58/1404773258.db2.gz DSLXMWMXEMKILR-UHFFFAOYSA-N -1 1 340.339 2.198 20 0 EEADMM Fc1cccc(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1F ZINC001606327482 1404793578 /nfs/dbraw/zinc/79/35/78/1404793578.db2.gz SCNMEODITABBNZ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM Fc1cccc(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1F ZINC001606327482 1404793587 /nfs/dbraw/zinc/79/35/87/1404793587.db2.gz SCNMEODITABBNZ-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]C1C[C@H](C)O[C@@H](C)C1 ZINC001645645699 1404835041 /nfs/dbraw/zinc/83/50/41/1404835041.db2.gz VZKLDHRDEHBCGH-IUCAKERBSA-N -1 1 335.372 2.208 20 0 EEADMM C/C=C(\C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001756821905 1409370032 /nfs/dbraw/zinc/37/00/32/1409370032.db2.gz UEJZZFFDZQTXOT-SRXIBPRUSA-N -1 1 346.431 2.039 20 0 EEADMM Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2C(=O)[O-])N2CCCC2)o1 ZINC000780513356 761261214 /nfs/dbraw/zinc/26/12/14/761261214.db2.gz OIGKYCXGFURNKB-HUUCEWRRSA-N -1 1 349.431 2.374 20 0 EEADMM Cc1ccnc(NC[C@@H](NC(=O)c2ncccc2[O-])C(C)(C)C)n1 ZINC001125856462 764963070 /nfs/dbraw/zinc/96/30/70/764963070.db2.gz AEGUVSABJXTNND-CYBMUJFWSA-N -1 1 329.404 2.142 20 0 EEADMM O=C(c1nnc2ccccc2c1O)N1CCCCC[C@@H]1c1ncon1 ZINC000184150700 782671546 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/nfs/dbraw/zinc/99/80/59/990998059.db2.gz JCKHYJPVOFMGOW-KRWDZBQOSA-N -1 1 339.351 2.056 20 0 EEADMM CC(C)[C@H](NCC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1F ZINC001591026006 991327551 /nfs/dbraw/zinc/32/75/51/991327551.db2.gz XTDOTBDWJLOJJN-HNNXBMFYSA-N -1 1 330.787 2.357 20 0 EEADMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001598506842 992514819 /nfs/dbraw/zinc/51/48/19/992514819.db2.gz LCPXRDJHHXTYQT-QWHCGFSZSA-N -1 1 337.420 2.078 20 0 EEADMM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1c(O)cccc1F ZINC001598522316 992676793 /nfs/dbraw/zinc/67/67/93/992676793.db2.gz BHHIFYPBQTZLDO-UHFFFAOYSA-N -1 1 333.315 2.267 20 0 EEADMM C[C@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)C1CCCCC1 ZINC001593062002 993572812 /nfs/dbraw/zinc/57/28/12/993572812.db2.gz FUCLHRMLICQYGG-KBPBESRZSA-N -1 1 325.453 2.146 20 0 EEADMM COc1ccc(NC(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1Cl ZINC001599591100 993683576 /nfs/dbraw/zinc/68/35/76/993683576.db2.gz MWUSMQDSKQWPRO-JGZJWPJOSA-N -1 1 326.780 2.082 20 0 EEADMM COc1cccc(C(=O)NCCNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599642612 994379984 /nfs/dbraw/zinc/37/99/84/994379984.db2.gz XJHSHFNMCAYHQS-UHFFFAOYSA-N -1 1 346.358 2.052 20 0 EEADMM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc(F)c2O)c1 ZINC001599648181 994455168 /nfs/dbraw/zinc/45/51/68/994455168.db2.gz KCGNCCGNIARGRH-CQSZACIVSA-N -1 1 333.315 2.438 20 0 EEADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(N2CCNC2=O)cc1 ZINC001593315745 994805422 /nfs/dbraw/zinc/80/54/22/994805422.db2.gz BIYSDLGBJQYYRX-LLVKDONJSA-N -1 1 329.356 2.358 20 0 EEADMM CON(C(=O)c1cc(-c2c[nH]c3ccccc32)[nH]n1)[C@@H](C)CC(=O)[O-] ZINC001599311322 997420711 /nfs/dbraw/zinc/42/07/11/997420711.db2.gz AQVVVDGQWCKLEV-JTQLQIEISA-N -1 1 342.355 2.425 20 0 EEADMM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc(OC)c1 ZINC001599414844 997488221 /nfs/dbraw/zinc/48/82/21/997488221.db2.gz XIBIOMOCZSJOFH-QGZVFWFLSA-N -1 1 347.367 2.334 20 0 EEADMM CO[C@@H]1CCC[C@@H]([C@H](NCC(=O)N[C@H](C)c2ccccc2)C(=O)[O-])C1 ZINC001599108828 997530233 /nfs/dbraw/zinc/53/02/33/997530233.db2.gz GETIKCYHXFCRLC-IIVZCXTMSA-N -1 1 348.443 2.112 20 0 EEADMM C[C@]1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC[C@H]1C(=O)[O-] ZINC001594056596 997800953 /nfs/dbraw/zinc/80/09/53/997800953.db2.gz RBBDVUZFLIDJLU-GUYCJALGSA-N -1 1 328.372 2.235 20 0 EEADMM CC1=C(C(=O)[O-])C[C@@H](CN2CCC[C@@H](Oc3ncccc3F)C2)O1 ZINC001594103535 998138034 /nfs/dbraw/zinc/13/80/34/998138034.db2.gz YGOYZKXKHHWGDZ-OLZOCXBDSA-N -1 1 336.363 2.211 20 0 EEADMM COC[C@@H](C)n1c(C)cc(C(=O)CN2CCC[C@H]2CC(=O)[O-])c1C ZINC001599160071 998442008 /nfs/dbraw/zinc/44/20/08/998442008.db2.gz OYSGLDLUNUMWNJ-HIFRSBDPSA-N -1 1 336.432 2.434 20 0 EEADMM COC(=O)c1cnc(CNC[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC001599007850 998870566 /nfs/dbraw/zinc/87/05/66/998870566.db2.gz YTXFFPOIBBMLIW-LLVKDONJSA-N -1 1 326.418 2.300 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001594364889 999377654 /nfs/dbraw/zinc/37/76/54/999377654.db2.gz BIFRGPNCKSZNAR-SIXWZSSISA-N -1 1 347.459 2.398 20 0 EEADMM C[C@@H]1CCN(Cc2ncc(Br)cc2O)[C@@H](C(=O)[O-])C1 ZINC001594427615 999597934 /nfs/dbraw/zinc/59/79/34/999597934.db2.gz WKAJGKBZMBJSHC-LDYMZIIASA-N -1 1 329.194 2.235 20 0 EEADMM C[C@H]1CCc2n[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)c2C1 ZINC001594445590 999637796 /nfs/dbraw/zinc/63/77/96/999637796.db2.gz MRSCQWVDRDGVES-BBATYDOGSA-N -1 1 327.384 2.264 20 0 EEADMM C[C@@H]1CN(C(=O)C2(Cc3ccccc3F)CC2)CCN1CCC(=O)[O-] ZINC001594461864 999671847 /nfs/dbraw/zinc/67/18/47/999671847.db2.gz ANNJDBVQMJPYDO-CQSZACIVSA-N -1 1 348.418 2.156 20 0 EEADMM Cc1cc(C)n(C[C@H](NCc2ccc(F)c(F)c2F)C(=O)[O-])n1 ZINC001327602810 1126174075 /nfs/dbraw/zinc/17/40/75/1126174075.db2.gz CYGVBVDADHAYQN-LBPRGKRZSA-N -1 1 327.306 2.160 20 0 EEADMM CN(C(=O)c1ccc(Oc2ccncc2)c(Cl)c1)c1nn[n-]n1 ZINC001437670031 1090198869 /nfs/dbraw/zinc/19/88/69/1090198869.db2.gz ZQLRXPLPMLPKOW-UHFFFAOYSA-N -1 1 330.735 2.317 20 0 EEADMM CCC(CC)(NC(=O)c1csc(N2CCCCC2)n1)c1nn[n-]n1 ZINC001449028545 1094036729 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O=C(NCc1ccc(N2CCCNC2=O)cc1)c1cc(F)ccc1[O-] ZINC001454105011 1106725094 /nfs/dbraw/zinc/72/50/94/1106725094.db2.gz MQKNHSRCOWCJDP-UHFFFAOYSA-N -1 1 343.358 2.381 20 0 EEADMM Cn1ccc2ccc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)cc21 ZINC001454254802 1106976618 /nfs/dbraw/zinc/97/66/18/1106976618.db2.gz KUSIKCUJUMCYDM-INIZCTEOSA-N -1 1 332.367 2.211 20 0 EEADMM CCC1(C(=O)NC[C@@H](NC(=O)c2ncccc2[O-])C2CC2)CCCC1 ZINC001493679631 1108498086 /nfs/dbraw/zinc/49/80/86/1108498086.db2.gz SRSDFMSXGBXIIY-CQSZACIVSA-N -1 1 345.443 2.382 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1CCCCC1 ZINC001456759393 1109292454 /nfs/dbraw/zinc/29/24/54/1109292454.db2.gz FHBGFFSWFLZVER-CQSZACIVSA-N -1 1 333.432 2.382 20 0 EEADMM C[C@H](C(=O)NC[C@]1(C)CCN(C(=O)c2ncccc2[O-])C1)C(C)(C)C ZINC001459485247 1110195640 /nfs/dbraw/zinc/19/56/40/1110195640.db2.gz IFKUWCIGLWAPNS-YJYMSZOUSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)c2nn[n-]n2)c1 ZINC001461557676 1110344722 /nfs/dbraw/zinc/34/47/22/1110344722.db2.gz CTTDVELMROKXMC-UHFFFAOYSA-N -1 1 336.355 2.037 20 0 EEADMM Cn1c(=O)c2ccc(NCc3cccc([O-])c3Cl)cc2n(C)c1=O ZINC001462597257 1110360159 /nfs/dbraw/zinc/36/01/59/1110360159.db2.gz YVODFXKEVWEKHX-UHFFFAOYSA-N -1 1 345.786 2.208 20 0 EEADMM CCC(CC)(NC(=O)Cc1ccc2c(c1)CCCC2)c1nn[n-]n1 ZINC001467794548 1110463779 /nfs/dbraw/zinc/46/37/79/1110463779.db2.gz SNMNNYLCCPOWPC-UHFFFAOYSA-N -1 1 327.432 2.453 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC001472951131 1110567705 /nfs/dbraw/zinc/56/77/05/1110567705.db2.gz JKLPQUUKMZUALM-UHFFFAOYSA-N -1 1 347.365 2.066 20 0 EEADMM O=C(NCc1nccnc1Cl)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001476937864 1110635734 /nfs/dbraw/zinc/63/57/34/1110635734.db2.gz ILHKYDZSEPIPTK-UHFFFAOYSA-N -1 1 344.762 2.343 20 0 EEADMM O=C(NCC1(NC(=O)C2(F)CCCC2)CCCC1)c1ncccc1[O-] ZINC001499505447 1112327407 /nfs/dbraw/zinc/32/74/07/1112327407.db2.gz LSEFTCIGZYERLV-UHFFFAOYSA-N -1 1 349.406 2.228 20 0 EEADMM CC(C)(C(=O)NC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1)C1CC1 ZINC001499623353 1112417926 /nfs/dbraw/zinc/41/79/26/1112417926.db2.gz MFFCJICVSCXDOJ-IBGZPJMESA-N -1 1 345.443 2.238 20 0 EEADMM C[C@H](CNC(=O)CC1CCCCC1)CNC(=O)c1ncccc1[O-] ZINC001500065538 1112600193 /nfs/dbraw/zinc/60/01/93/1112600193.db2.gz PLJSVKHHGRBPGH-CYBMUJFWSA-N -1 1 333.432 2.240 20 0 EEADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)C[C@@H](C)c1ccco1 ZINC001510526096 1117765023 /nfs/dbraw/zinc/76/50/23/1117765023.db2.gz JGUHLYKTFPUHDN-CHWSQXEVSA-N -1 1 345.399 2.151 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)C12CCCC2 ZINC001519694285 1119099332 /nfs/dbraw/zinc/09/93/32/1119099332.db2.gz UXQJEMWXJDLGOF-GHMZBOCLSA-N -1 1 337.445 2.247 20 0 EEADMM CCC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001524602529 1120197814 /nfs/dbraw/zinc/19/78/14/1120197814.db2.gz HNFUIHWORYFICZ-KFWWJZLASA-N -1 1 345.443 2.429 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCCC1Cc2ccccc2C1 ZINC001528259614 1120976544 /nfs/dbraw/zinc/97/65/44/1120976544.db2.gz JJMYXWXRUKLYNK-UHFFFAOYSA-N -1 1 329.425 2.314 20 0 EEADMM CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC001548982622 1121035578 /nfs/dbraw/zinc/03/55/78/1121035578.db2.gz JFZAUUYWZJSQRL-OCCSQVGLSA-N -1 1 333.363 2.473 20 0 EEADMM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1csc(Nc3ccccc3)n1)C2 ZINC001549283523 1121189756 /nfs/dbraw/zinc/18/97/56/1121189756.db2.gz MCRPMDMIRYGHPT-SJCJKPOMSA-N -1 1 345.424 2.420 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)O1 ZINC001549869881 1121502887 /nfs/dbraw/zinc/50/28/87/1121502887.db2.gz HFHQNRSTJJVUIH-BLLLJJGKSA-N -1 1 338.835 2.257 20 0 EEADMM CCN(CC)[C@H](C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)c1ccccc1 ZINC001550920536 1124176167 /nfs/dbraw/zinc/17/61/67/1124176167.db2.gz CTRRYAGVQPSXKW-TWMKSMIVSA-N -1 1 330.428 2.249 20 0 EEADMM O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548767797 1124490704 /nfs/dbraw/zinc/49/07/04/1124490704.db2.gz IHVBSGNBRKCXJN-JTQLQIEISA-N -1 1 340.214 2.455 20 0 EEADMM CCc1ccc(O[C@H](C)C(=O)N2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000132476899 529695859 /nfs/dbraw/zinc/69/58/59/529695859.db2.gz YUWKOFMLHWQABO-OAHLLOKOSA-N -1 1 348.443 2.025 20 0 EEADMM O=C(NC1CCC(CO)CC1)c1ccc(Br)cc1[O-] ZINC000181043654 539581767 /nfs/dbraw/zinc/58/17/67/539581767.db2.gz ILUNQKZIECZXIB-UHFFFAOYSA-N -1 1 328.206 2.436 20 0 EEADMM Cn1c(C2CCN(C(=O)C=Cc3cncc(F)c3)CC2)n[n-]c1=S ZINC000068427967 215306418 /nfs/dbraw/zinc/30/64/18/215306418.db2.gz XLNXVAJVDPNZAT-NSCUHMNNSA-N -1 1 347.419 2.431 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCCN(Cc2cscn2)CC1 ZINC000181207009 234118610 /nfs/dbraw/zinc/11/86/10/234118610.db2.gz WKZLHCFCAWRKBV-UHFFFAOYSA-N -1 1 335.404 2.336 20 0 EEADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000038706449 213222063 /nfs/dbraw/zinc/22/20/63/213222063.db2.gz UEFHZXOTUIADDC-UHFFFAOYSA-N -1 1 344.392 2.209 20 0 EEADMM C[C@H](CN(C)C(=O)Cc1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000183401268 235049983 /nfs/dbraw/zinc/04/99/83/235049983.db2.gz 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578023312 /nfs/dbraw/zinc/02/33/12/578023312.db2.gz AAXWGKSBMXZPDO-LBPRGKRZSA-N -1 1 330.388 2.235 20 0 EEADMM Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000738822764 578027932 /nfs/dbraw/zinc/02/79/32/578027932.db2.gz ADEYYCFKFJMACH-GFCCVEGCSA-N -1 1 344.415 2.188 20 0 EEADMM O=C([O-])[C@@H]1CC(C(=O)Nc2ccc3nc[nH]c3c2)=NN1c1ccccc1 ZINC000740469817 578095291 /nfs/dbraw/zinc/09/52/91/578095291.db2.gz MPMPMLZYYDPZAO-INIZCTEOSA-N -1 1 349.350 2.221 20 0 EEADMM CC(C)[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1nnc2ccccn21 ZINC000735735310 578165147 /nfs/dbraw/zinc/16/51/47/578165147.db2.gz RHNUKAJEBKCBMI-INIZCTEOSA-N -1 1 348.414 2.396 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000736116678 578181818 /nfs/dbraw/zinc/18/18/18/578181818.db2.gz CFEFAFHSQVTXEP-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000736116678 578181819 /nfs/dbraw/zinc/18/18/19/578181819.db2.gz CFEFAFHSQVTXEP-VIFPVBQESA-N -1 1 328.763 2.406 20 0 EEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000736140845 578183027 /nfs/dbraw/zinc/18/30/27/578183027.db2.gz DKJFTZMJUSBMFT-SFHVURJKSA-N -1 1 347.382 2.130 20 0 EEADMM C[C@](O)(CNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000736140845 578183028 /nfs/dbraw/zinc/18/30/28/578183028.db2.gz DKJFTZMJUSBMFT-SFHVURJKSA-N -1 1 347.382 2.130 20 0 EEADMM C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736216545 578187675 /nfs/dbraw/zinc/18/76/75/578187675.db2.gz VZAYSNFKHQUKQY-IUODEOHRSA-N -1 1 334.391 2.017 20 0 EEADMM CC(C)N(CCC(=O)[O-])CN1C(=S)N=NC1Cc1cccs1 ZINC000736468248 578206022 /nfs/dbraw/zinc/20/60/22/578206022.db2.gz JMAJBSACSRBJAT-UHFFFAOYSA-N -1 1 340.474 2.362 20 0 EEADMM CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CC1 ZINC000736469758 578206155 /nfs/dbraw/zinc/20/61/55/578206155.db2.gz LSMXVCNLPYINGX-UHFFFAOYSA-N -1 1 334.811 2.333 20 0 EEADMM CCCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CC1 ZINC000736469758 578206156 /nfs/dbraw/zinc/20/61/56/578206156.db2.gz LSMXVCNLPYINGX-UHFFFAOYSA-N -1 1 334.811 2.333 20 0 EEADMM CCCN(CCC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736473275 578206436 /nfs/dbraw/zinc/20/64/36/578206436.db2.gz MLCRWDQUMNHFDP-UHFFFAOYSA-N -1 1 343.840 2.331 20 0 EEADMM CCCN(CCC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736473275 578206437 /nfs/dbraw/zinc/20/64/37/578206437.db2.gz MLCRWDQUMNHFDP-UHFFFAOYSA-N -1 1 343.840 2.331 20 0 EEADMM CCOc1cc(C)ccc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000736624564 578215444 /nfs/dbraw/zinc/21/54/44/578215444.db2.gz DIRBHSPSYIWFAC-UHFFFAOYSA-N -1 1 330.392 2.318 20 0 EEADMM C[C@H]1CCCC[C@H]1OCCNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736785638 578223434 /nfs/dbraw/zinc/22/34/34/578223434.db2.gz UOPFVFKGHZWPQV-LSDHHAIUSA-N -1 1 340.464 2.075 20 0 EEADMM CN(CCOc1ccccc1Cl)c1cccc(-c2nnn[n-]2)n1 ZINC000736803775 578224697 /nfs/dbraw/zinc/22/46/97/578224697.db2.gz AXRRXIVABWDQPX-UHFFFAOYSA-N -1 1 330.779 2.430 20 0 EEADMM CN(CCOc1ccccc1Cl)c1cccc(-c2nn[n-]n2)n1 ZINC000736803775 578224698 /nfs/dbraw/zinc/22/46/98/578224698.db2.gz AXRRXIVABWDQPX-UHFFFAOYSA-N -1 1 330.779 2.430 20 0 EEADMM CCC[C@@](C)(NCC(=O)N(C)[C@H](C)c1ccccc1OC)C(=O)[O-] ZINC000736962272 578231366 /nfs/dbraw/zinc/23/13/66/578231366.db2.gz ZPRTZQTYSHEJAR-FZKQIMNGSA-N -1 1 336.432 2.448 20 0 EEADMM COc1ccc(C=O)cc1Oc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737082903 578237005 /nfs/dbraw/zinc/23/70/05/578237005.db2.gz MDVDCWUQEOFFEO-UHFFFAOYSA-N -1 1 348.322 2.423 20 0 EEADMM COc1ccccc1C(C)=CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000737140426 578240436 /nfs/dbraw/zinc/24/04/36/578240436.db2.gz CXBWPDRSILYQLA-QXMHVHEDSA-N -1 1 327.388 2.018 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737334418 578251043 /nfs/dbraw/zinc/25/10/43/578251043.db2.gz HHVXBUJQGOFDFH-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737334418 578251044 /nfs/dbraw/zinc/25/10/44/578251044.db2.gz HHVXBUJQGOFDFH-ZDUSSCGKSA-N -1 1 336.399 2.240 20 0 EEADMM Cc1ccc(CCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737337832 578251201 /nfs/dbraw/zinc/25/12/01/578251201.db2.gz IFVDUXIOLMDRHW-UHFFFAOYSA-N -1 1 336.399 2.241 20 0 EEADMM Cc1ccc(CCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737337832 578251202 /nfs/dbraw/zinc/25/12/02/578251202.db2.gz IFVDUXIOLMDRHW-UHFFFAOYSA-N -1 1 336.399 2.241 20 0 EEADMM CN(C)[C@H](Cc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737358716 578252527 /nfs/dbraw/zinc/25/25/27/578252527.db2.gz OHNDETLMKNXWSU-GOSISDBHSA-N -1 1 338.407 2.400 20 0 EEADMM FC(F)(F)c1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000737634676 578267761 /nfs/dbraw/zinc/26/77/61/578267761.db2.gz AAKDEIYARFHBQF-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM FC(F)(F)c1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000737634676 578267762 /nfs/dbraw/zinc/26/77/62/578267762.db2.gz AAKDEIYARFHBQF-UHFFFAOYSA-N -1 1 335.293 2.330 20 0 EEADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C ZINC000822128704 607255264 /nfs/dbraw/zinc/25/52/64/607255264.db2.gz FTPCNQWSHJHTNH-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cccc(-c2nnn[n-]2)n1 ZINC000821904756 599077948 /nfs/dbraw/zinc/07/79/48/599077948.db2.gz ZFAVUJYIGAHRNY-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM COc1ccccc1O[C@H](C)CNc1cccc(-c2nn[n-]n2)n1 ZINC000821904756 599077952 /nfs/dbraw/zinc/07/79/52/599077952.db2.gz ZFAVUJYIGAHRNY-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM O=C([O-])C1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000019774950 596917994 /nfs/dbraw/zinc/91/79/94/596917994.db2.gz TVFZWVADPHTKQL-UHFFFAOYSA-N -1 1 331.416 2.022 20 0 EEADMM O=C([O-])C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000819357571 597041194 /nfs/dbraw/zinc/04/11/94/597041194.db2.gz FKUXFHHCMKKEAQ-LSDHHAIUSA-N -1 1 349.431 2.313 20 0 EEADMM C[C@@H](N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)C(=O)[O-] ZINC000820136297 598195852 /nfs/dbraw/zinc/19/58/52/598195852.db2.gz OXAUWEANCVLTDR-ZWNOBZJWSA-N -1 1 344.333 2.259 20 0 EEADMM CO[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)C(F)(F)F ZINC000821676553 599557536 /nfs/dbraw/zinc/55/75/36/599557536.db2.gz AMFDZGUVSPBYND-GFCCVEGCSA-N -1 1 338.293 2.404 20 0 EEADMM CO[C@H](CNc1cc(-c2nn[n-]n2)nc2ccccc21)C(F)(F)F ZINC000821676553 599557538 /nfs/dbraw/zinc/55/75/38/599557538.db2.gz AMFDZGUVSPBYND-GFCCVEGCSA-N -1 1 338.293 2.404 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCC[C@H]3CCCC[C@H]31)CC2 ZINC000405361493 600300659 /nfs/dbraw/zinc/30/06/59/600300659.db2.gz PEWLBWHPUHHPTJ-OWCLPIDISA-N -1 1 334.460 2.354 20 0 EEADMM C[C@H]1Cc2ccccc2N1C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405323027 600302197 /nfs/dbraw/zinc/30/21/97/600302197.db2.gz QXGNUPYGXRUJCI-DZGCQCFKSA-N -1 1 328.412 2.151 20 0 EEADMM CN(C)C(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830569862 600735392 /nfs/dbraw/zinc/73/53/92/600735392.db2.gz UNWKMSVMOPCJJE-MRXNPFEDSA-N -1 1 330.359 2.443 20 0 EEADMM Cc1ccc2nc(CNC(=O)NCc3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC000832958623 600751377 /nfs/dbraw/zinc/75/13/77/600751377.db2.gz CTKCWUQQTORAHD-UHFFFAOYSA-N -1 1 328.328 2.162 20 0 EEADMM CCO[C@@H](C)c1nc(CN2CCN(CCCC(=O)[O-])CC2)cs1 ZINC000262275586 600838824 /nfs/dbraw/zinc/83/88/24/600838824.db2.gz UTKCLQPEJIKNEV-ZDUSSCGKSA-N -1 1 341.477 2.223 20 0 EEADMM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000833183303 600894024 /nfs/dbraw/zinc/89/40/24/600894024.db2.gz SFWKOTDTWXTRFM-GJZGRUSLSA-N -1 1 345.443 2.053 20 0 EEADMM C[C@](NCC(=O)NCC1(c2ccccc2)CCCC1)(C(=O)[O-])C1CC1 ZINC000827727403 601034933 /nfs/dbraw/zinc/03/49/33/601034933.db2.gz JIMVIZZSDGVWKG-LJQANCHMSA-N -1 1 344.455 2.458 20 0 EEADMM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1)N(C)C ZINC000832803653 601136528 /nfs/dbraw/zinc/13/65/28/601136528.db2.gz RAFJVMPXFZXKBI-JOYOIKCWSA-N -1 1 348.321 2.167 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCSC2(CCCCC2)C1)C(=O)[O-] ZINC000828718651 601157525 /nfs/dbraw/zinc/15/75/25/601157525.db2.gz NHFATJSTOKGEAB-HIFRSBDPSA-N -1 1 342.505 2.354 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN2CCCC[C@@H]2C1 ZINC000832915206 601170890 /nfs/dbraw/zinc/17/08/90/601170890.db2.gz HYYOIMOOYQDILT-GDBMZVCRSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@@H](N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cccnc1 ZINC000827728053 601348866 /nfs/dbraw/zinc/34/88/66/601348866.db2.gz PRINBWOFVIYEOE-ZWNOBZJWSA-N -1 1 331.397 2.297 20 0 EEADMM CN(C)Cc1ccsc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000830624043 601552840 /nfs/dbraw/zinc/55/28/40/601552840.db2.gz PEOAEKUYQVXQEM-AWEZNQCLSA-N -1 1 332.425 2.235 20 0 EEADMM O=C([O-])C[C@@H](NC(=O)c1cccc(Br)c1O)C1CC1 ZINC000833199832 601563778 /nfs/dbraw/zinc/56/37/78/601563778.db2.gz ABPGZGRMLMMLEN-SNVBAGLBSA-N -1 1 328.162 2.138 20 0 EEADMM O=C([O-])C[C@H]1CSCCN1[C@@H]1CCCN(c2ccccc2)C1=O ZINC000833222912 601925986 /nfs/dbraw/zinc/92/59/86/601925986.db2.gz RIICTOQZOFVJIB-LSDHHAIUSA-N -1 1 334.441 2.074 20 0 EEADMM CCOc1ccc(C=O)c(OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825639198 607540383 /nfs/dbraw/zinc/54/03/83/607540383.db2.gz UIZWVKYSQGXHDH-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM CCOc1ccc(C=O)c(OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825639198 607540384 /nfs/dbraw/zinc/54/03/84/607540384.db2.gz UIZWVKYSQGXHDH-UHFFFAOYSA-N -1 1 325.328 2.052 20 0 EEADMM Clc1cnc2[nH]c(SCc3ccnc(-c4nnn[n-]4)c3)nc2c1 ZINC000826353896 607541001 /nfs/dbraw/zinc/54/10/01/607541001.db2.gz IGTXKIOANSGBCN-UHFFFAOYSA-N -1 1 344.791 2.479 20 0 EEADMM Clc1cnc2[nH]c(SCc3ccnc(-c4nn[n-]n4)c3)nc2c1 ZINC000826353896 607541003 /nfs/dbraw/zinc/54/10/03/607541003.db2.gz IGTXKIOANSGBCN-UHFFFAOYSA-N -1 1 344.791 2.479 20 0 EEADMM COC(=O)c1csc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000831466755 602117809 /nfs/dbraw/zinc/11/78/09/602117809.db2.gz DAGQAFBAOMQEPV-UHFFFAOYSA-N -1 1 347.395 2.095 20 0 EEADMM C[C@H]1CCN(Cn2nc(C(=O)[O-])c3ccccc32)C[C@@H]1n1ccnc1 ZINC000828296425 602305104 /nfs/dbraw/zinc/30/51/04/602305104.db2.gz YEDFFZVJEXLCRX-BBRMVZONSA-N -1 1 339.399 2.472 20 0 EEADMM O=S(=O)(NC1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488299 607572303 /nfs/dbraw/zinc/57/23/03/607572303.db2.gz MNQPKGPJJMNMFT-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM O=S(=O)(NC1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488299 607572305 /nfs/dbraw/zinc/57/23/05/607572305.db2.gz MNQPKGPJJMNMFT-UHFFFAOYSA-N -1 1 341.824 2.131 20 0 EEADMM Clc1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)nc1-c1nnn[n-]1 ZINC000826352281 607681212 /nfs/dbraw/zinc/68/12/12/607681212.db2.gz VQJMKNCEMZQLQB-MNOVXSKESA-N -1 1 334.811 2.168 20 0 EEADMM Clc1ccc(N2CCC[C@@H]([C@H]3CCOC3)C2)nc1-c1nn[n-]n1 ZINC000826352281 607681213 /nfs/dbraw/zinc/68/12/13/607681213.db2.gz VQJMKNCEMZQLQB-MNOVXSKESA-N -1 1 334.811 2.168 20 0 EEADMM O=C([O-])C[C@H]1CCCN1C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000833208777 604600875 /nfs/dbraw/zinc/60/08/75/604600875.db2.gz SMQCBWOKMAKDGI-HZPDHXFCSA-N -1 1 334.391 2.256 20 0 EEADMM C[C@@H](CN(CC(=O)Nc1nc2c(s1)CCCC2)C1CC1)C(=O)[O-] ZINC000827449897 604742604 /nfs/dbraw/zinc/74/26/04/604742604.db2.gz QCDMSRLKLPSMBP-JTQLQIEISA-N -1 1 337.445 2.146 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)c3ccc(C(=O)[O-])s3)[nH]c21 ZINC000833716516 604869889 /nfs/dbraw/zinc/86/98/89/604869889.db2.gz KBPHJMGDOFKJAR-UHFFFAOYSA-N -1 1 345.336 2.362 20 0 EEADMM CCc1nc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)n[nH]1 ZINC000833672910 605020017 /nfs/dbraw/zinc/02/00/17/605020017.db2.gz FZVSYEUMWUNNKQ-SNVBAGLBSA-N -1 1 331.376 2.267 20 0 EEADMM CN(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)[C@@H]1CCSC1 ZINC000833690985 605049129 /nfs/dbraw/zinc/04/91/29/605049129.db2.gz GFVLJJSMSTXVSF-CHWSQXEVSA-N -1 1 334.441 2.029 20 0 EEADMM CCN1C[C@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C[C@H]1C ZINC000833658334 605123737 /nfs/dbraw/zinc/12/37/37/605123737.db2.gz RCZVJNDXAKGZLE-KGLIPLIRSA-N -1 1 348.447 2.443 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C(C)(C)c1ccccc1F ZINC000833623123 605158555 /nfs/dbraw/zinc/15/85/55/605158555.db2.gz QNKULIFNTFZCRM-ZDUSSCGKSA-N -1 1 336.407 2.111 20 0 EEADMM COc1ccc(O)c(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833733834 605188162 /nfs/dbraw/zinc/18/81/62/605188162.db2.gz RZCHTAGCABYIGN-UHFFFAOYSA-N -1 1 337.353 2.208 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CCN1CCC(=O)[O-] ZINC000833620315 605250526 /nfs/dbraw/zinc/25/05/26/605250526.db2.gz GRVDKYXYSNCOPZ-SNVBAGLBSA-N -1 1 328.771 2.100 20 0 EEADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325335530 605439223 /nfs/dbraw/zinc/43/92/23/605439223.db2.gz AZNFFNHYTGDAPZ-HUUCEWRRSA-N -1 1 337.464 2.290 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000822229649 606162821 /nfs/dbraw/zinc/16/28/21/606162821.db2.gz YQBCFZGZWMBBOG-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM Cc1ccc([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC000822229649 606162824 /nfs/dbraw/zinc/16/28/24/606162824.db2.gz YQBCFZGZWMBBOG-LLVKDONJSA-N -1 1 340.391 2.100 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NCC2(C)CC2)c1-c1nn[n-]n1 ZINC000821989364 606447465 /nfs/dbraw/zinc/44/74/65/606447465.db2.gz KHBZSRJLYCXBPJ-UHFFFAOYSA-N -1 1 344.444 2.391 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819818980 606484899 /nfs/dbraw/zinc/48/48/99/606484899.db2.gz YDXHFYBKVJXXQM-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819818980 606484900 /nfs/dbraw/zinc/48/49/00/606484900.db2.gz YDXHFYBKVJXXQM-UHFFFAOYSA-N -1 1 328.357 2.139 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1F ZINC000823435841 606518237 /nfs/dbraw/zinc/51/82/37/606518237.db2.gz BIDABZWPDBUMKO-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1F ZINC000823435841 606518239 /nfs/dbraw/zinc/51/82/39/606518239.db2.gz BIDABZWPDBUMKO-UHFFFAOYSA-N -1 1 333.710 2.411 20 0 EEADMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822693850 606521561 /nfs/dbraw/zinc/52/15/61/606521561.db2.gz LWKUUGIUOOFNKO-LLVKDONJSA-N -1 1 328.401 2.244 20 0 EEADMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822693850 606521563 /nfs/dbraw/zinc/52/15/63/606521563.db2.gz LWKUUGIUOOFNKO-LLVKDONJSA-N -1 1 328.401 2.244 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820299995 606647067 /nfs/dbraw/zinc/64/70/67/606647067.db2.gz MLENTMMLKARBOP-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820299995 606647068 /nfs/dbraw/zinc/64/70/68/606647068.db2.gz MLENTMMLKARBOP-NSHDSACASA-N -1 1 341.346 2.323 20 0 EEADMM Cc1nc(CCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000822439629 606653462 /nfs/dbraw/zinc/65/34/62/606653462.db2.gz CHVQBEGXAQUROK-UHFFFAOYSA-N -1 1 344.400 2.093 20 0 EEADMM Cc1nc(CCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000822439629 606653463 /nfs/dbraw/zinc/65/34/63/606653463.db2.gz CHVQBEGXAQUROK-UHFFFAOYSA-N -1 1 344.400 2.093 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822205905 606687574 /nfs/dbraw/zinc/68/75/74/606687574.db2.gz NAINKXHIKYUQTF-UHFFFAOYSA-N -1 1 331.376 2.348 20 0 EEADMM Cc1cc(F)ccc1CCNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822205905 606687575 /nfs/dbraw/zinc/68/75/75/606687575.db2.gz NAINKXHIKYUQTF-UHFFFAOYSA-N -1 1 331.376 2.348 20 0 EEADMM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1noc(-c2ccccc2)n1 ZINC000820432054 606741556 /nfs/dbraw/zinc/74/15/56/606741556.db2.gz LNOGJQNQPQHNRH-SNVBAGLBSA-N -1 1 337.343 2.361 20 0 EEADMM C[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1noc(-c2ccccc2)n1 ZINC000820432054 606741558 /nfs/dbraw/zinc/74/15/58/606741558.db2.gz LNOGJQNQPQHNRH-SNVBAGLBSA-N -1 1 337.343 2.361 20 0 EEADMM COc1c(F)cc(F)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821698660 606749056 /nfs/dbraw/zinc/74/90/56/606749056.db2.gz TWWJUYTXTLYYKK-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM COc1c(F)cc(F)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821698660 606749057 /nfs/dbraw/zinc/74/90/57/606749057.db2.gz TWWJUYTXTLYYKK-UHFFFAOYSA-N -1 1 337.311 2.467 20 0 EEADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cc2ccccc2s1 ZINC000823690645 606877885 /nfs/dbraw/zinc/87/78/85/606877885.db2.gz QMTNHNNGHSYFRW-JTQLQIEISA-N -1 1 339.384 2.017 20 0 EEADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cc2ccccc2s1 ZINC000823690645 606877887 /nfs/dbraw/zinc/87/78/87/606877887.db2.gz QMTNHNNGHSYFRW-JTQLQIEISA-N -1 1 339.384 2.017 20 0 EEADMM Cc1cc(F)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1F ZINC000822202028 606913664 /nfs/dbraw/zinc/91/36/64/606913664.db2.gz HZXCXHFSWZOYHH-UHFFFAOYSA-N -1 1 331.282 2.411 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(-n2cccc2)c1 ZINC000823380072 607109101 /nfs/dbraw/zinc/10/91/01/607109101.db2.gz PEBMKXPWTJQUJR-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(-n2cccc2)c1 ZINC000823380072 607109103 /nfs/dbraw/zinc/10/91/03/607109103.db2.gz PEBMKXPWTJQUJR-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM CC(C)CC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820073091 607194524 /nfs/dbraw/zinc/19/45/24/607194524.db2.gz PPNODTRUOPWLFF-LLVKDONJSA-N -1 1 332.412 2.033 20 0 EEADMM CC(C)CC[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820073091 607194525 /nfs/dbraw/zinc/19/45/25/607194525.db2.gz PPNODTRUOPWLFF-LLVKDONJSA-N -1 1 332.412 2.033 20 0 EEADMM CCC(CC)(CO)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000825089931 607810127 /nfs/dbraw/zinc/81/01/27/607810127.db2.gz PSTFBRJASYCDBG-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM CCC(CC)(CO)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000825089931 607810128 /nfs/dbraw/zinc/81/01/28/607810128.db2.gz PSTFBRJASYCDBG-UHFFFAOYSA-N -1 1 327.392 2.021 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000824200702 607819831 /nfs/dbraw/zinc/81/98/31/607819831.db2.gz SHQBEWMHTSZLPZ-QMMMGPOBSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000824200702 607819832 /nfs/dbraw/zinc/81/98/32/607819832.db2.gz SHQBEWMHTSZLPZ-QMMMGPOBSA-N -1 1 330.845 2.432 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000824200683 607819837 /nfs/dbraw/zinc/81/98/37/607819837.db2.gz RYIWVPIQCUDRHC-HNNXBMFYSA-N -1 1 341.419 2.265 20 0 EEADMM CC(C)[C@H](O)C(C)(C)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000824200683 607819838 /nfs/dbraw/zinc/81/98/38/607819838.db2.gz RYIWVPIQCUDRHC-HNNXBMFYSA-N -1 1 341.419 2.265 20 0 EEADMM CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccco1 ZINC000825796401 607895357 /nfs/dbraw/zinc/89/53/57/607895357.db2.gz FCUIIQMKUUQKNZ-UHFFFAOYSA-N -1 1 340.372 2.284 20 0 EEADMM CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccco1 ZINC000825796401 607895358 /nfs/dbraw/zinc/89/53/58/607895358.db2.gz FCUIIQMKUUQKNZ-UHFFFAOYSA-N -1 1 340.372 2.284 20 0 EEADMM Cc1nnc(-c2cccc(Nc3cccc(-c4nnn[n-]4)n3)c2)n1C ZINC000826335434 607903161 /nfs/dbraw/zinc/90/31/61/607903161.db2.gz MVSVAQHCCCAXAH-UHFFFAOYSA-N -1 1 333.359 2.109 20 0 EEADMM Cc1nnc(-c2cccc(Nc3cccc(-c4nn[n-]n4)n3)c2)n1C ZINC000826335434 607903162 /nfs/dbraw/zinc/90/31/62/607903162.db2.gz MVSVAQHCCCAXAH-UHFFFAOYSA-N -1 1 333.359 2.109 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(OC(F)F)cc1 ZINC000824655326 607988847 /nfs/dbraw/zinc/98/88/47/607988847.db2.gz CESCGAVOYAPUGW-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(OC(F)F)cc1 ZINC000824655326 607988848 /nfs/dbraw/zinc/98/88/48/607988848.db2.gz CESCGAVOYAPUGW-QMMMGPOBSA-N -1 1 333.302 2.431 20 0 EEADMM Cn1ccc2c1cccc2C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826363533 607999680 /nfs/dbraw/zinc/99/96/80/607999680.db2.gz QQGPBKVKBNDHBG-UHFFFAOYSA-N -1 1 334.339 2.316 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ncoc1-c1ccccc1 ZINC000826451374 607999762 /nfs/dbraw/zinc/99/97/62/607999762.db2.gz DFXZUBPVQPTCPC-UHFFFAOYSA-N -1 1 348.322 2.480 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc2ncccc21 ZINC000825825648 608029849 /nfs/dbraw/zinc/02/98/49/608029849.db2.gz GWEMSDNTWQUQGD-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc2ncccc21 ZINC000825825648 608029850 /nfs/dbraw/zinc/02/98/50/608029850.db2.gz GWEMSDNTWQUQGD-UHFFFAOYSA-N -1 1 331.339 2.087 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(C)c1F ZINC000826261385 608118289 /nfs/dbraw/zinc/11/82/89/608118289.db2.gz CNGBITOBRXNADY-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(C)c1F ZINC000826261385 608118290 /nfs/dbraw/zinc/11/82/90/608118290.db2.gz CNGBITOBRXNADY-UHFFFAOYSA-N -1 1 327.319 2.375 20 0 EEADMM Clc1cc2c(cc1NCc1ccc(-c3nnn[n-]3)o1)OCCO2 ZINC000826351521 608449861 /nfs/dbraw/zinc/44/98/61/608449861.db2.gz PUMJQEZBWCEMSR-UHFFFAOYSA-N -1 1 333.735 2.496 20 0 EEADMM Clc1cc2c(cc1NCc1ccc(-c3nn[n-]n3)o1)OCCO2 ZINC000826351521 608449862 /nfs/dbraw/zinc/44/98/62/608449862.db2.gz PUMJQEZBWCEMSR-UHFFFAOYSA-N -1 1 333.735 2.496 20 0 EEADMM Fc1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)cc1F ZINC000826372917 608888893 /nfs/dbraw/zinc/88/88/93/608888893.db2.gz RIWIMNDDVGNAGK-UHFFFAOYSA-N -1 1 329.270 2.045 20 0 EEADMM Fc1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)cc1F ZINC000826372917 608888901 /nfs/dbraw/zinc/88/89/01/608888901.db2.gz RIWIMNDDVGNAGK-UHFFFAOYSA-N -1 1 329.270 2.045 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNc2cccc(-c3nnn[n-]3)n2)CCC1 ZINC000824108426 609593960 /nfs/dbraw/zinc/59/39/60/609593960.db2.gz FTVJJDRJGGLYLW-UHFFFAOYSA-N -1 1 345.407 2.121 20 0 EEADMM CC(C)(C)OC(=O)NC1(CNc2cccc(-c3nn[n-]n3)n2)CCC1 ZINC000824108426 609593963 /nfs/dbraw/zinc/59/39/63/609593963.db2.gz FTVJJDRJGGLYLW-UHFFFAOYSA-N -1 1 345.407 2.121 20 0 EEADMM CC(C)c1ocnc1CN1CC([C@H](C)NC(=O)c2ncccc2[O-])C1 ZINC000969541385 675098224 /nfs/dbraw/zinc/09/82/24/675098224.db2.gz CIRSFTSNFGQIBU-LBPRGKRZSA-N -1 1 344.415 2.149 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])C1CN(CC=C(Cl)Cl)C1 ZINC000969543365 675099195 /nfs/dbraw/zinc/09/91/95/675099195.db2.gz MTGRVFSAXFDQJO-VIFPVBQESA-N -1 1 330.215 2.156 20 0 EEADMM C[C@@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001020691559 675412124 /nfs/dbraw/zinc/41/21/24/675412124.db2.gz HDZCLYLZBYIHTJ-KGLIPLIRSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1ccc(-c2csc(NC(=O)Cc3sc(N)nc3[O-])n2)cc1 ZINC000080159273 675455093 /nfs/dbraw/zinc/45/50/93/675455093.db2.gz OUVZWBRKMVCWEE-NSHDSACASA-N -1 1 346.437 2.404 20 0 EEADMM COc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])C[C@@H]3C)n2)cc1 ZINC000325928385 676385515 /nfs/dbraw/zinc/38/55/15/676385515.db2.gz FRSUTOJLRPKMRW-AAEUAGOBSA-N -1 1 331.372 2.430 20 0 EEADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2sc(N)nc2[O-])c1 ZINC000160707656 676420138 /nfs/dbraw/zinc/42/01/38/676420138.db2.gz DLANNCKKRNRRAW-KBPBESRZSA-N -1 1 331.441 2.314 20 0 EEADMM CN(Cc1ccc(F)cc1F)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971393320 676520996 /nfs/dbraw/zinc/52/09/96/676520996.db2.gz HAGAXVODWCXBKI-AWEZNQCLSA-N -1 1 347.365 2.412 20 0 EEADMM O=C(C[C@@H]1COc2ccccc2O1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891614095 676722908 /nfs/dbraw/zinc/72/29/08/676722908.db2.gz LHZHEGJZDPMJGW-LLVKDONJSA-N -1 1 341.367 2.230 20 0 EEADMM O=C(CSC[C@H]1CCCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621544 676732339 /nfs/dbraw/zinc/73/23/39/676732339.db2.gz JANSSIMMEXELTD-LLVKDONJSA-N -1 1 337.445 2.302 20 0 EEADMM O=C(NC1CCN(C(=O)C2(C3CC3)CCC2)CC1)c1ncccc1[O-] ZINC000947535256 679081833 /nfs/dbraw/zinc/08/18/33/679081833.db2.gz QIBSKSYLOFHNSP-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM CCc1nocc1CN1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001024406730 679891648 /nfs/dbraw/zinc/89/16/48/679891648.db2.gz DHSKHBZSQRGTSJ-AWEZNQCLSA-N -1 1 344.415 2.122 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1CC ZINC000984800711 685276143 /nfs/dbraw/zinc/27/61/43/685276143.db2.gz CGVKTBYIMRMAFX-UONOGXRCSA-N -1 1 333.432 2.333 20 0 EEADMM Cc1cc(C(=O)[N-]NC(=O)c2sc(-c3ccccc3)nc2C)n[nH]1 ZINC000054146720 681196628 /nfs/dbraw/zinc/19/66/28/681196628.db2.gz OTACWNGUNFKYMR-UHFFFAOYSA-N -1 1 341.396 2.225 20 0 EEADMM Cc1cc(C(=O)N[N-]C(=O)c2sc(-c3ccccc3)nc2C)[nH]n1 ZINC000054146720 681196630 /nfs/dbraw/zinc/19/66/30/681196630.db2.gz OTACWNGUNFKYMR-UHFFFAOYSA-N -1 1 341.396 2.225 20 0 EEADMM Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2cccnc12 ZINC000909540558 685415481 /nfs/dbraw/zinc/41/54/81/685415481.db2.gz FCSGZBHMSQOXMI-CYBMUJFWSA-N -1 1 327.384 2.278 20 0 EEADMM Cc1ccc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c2cccnc12 ZINC000909540558 685415483 /nfs/dbraw/zinc/41/54/83/685415483.db2.gz 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ZINC000950543281 1210268215 /nfs/dbraw/zinc/26/82/15/1210268215.db2.gz VQIRPSDUMPWJLD-RBSFLKMASA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1nc2ccccc2n1C ZINC000078776927 1210396715 /nfs/dbraw/zinc/39/67/15/1210396715.db2.gz ZSLWFIMATXYPNB-UHFFFAOYSA-N -1 1 339.399 2.018 20 0 EEADMM CCC(Nc1ccccn1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000192697331 1210584408 /nfs/dbraw/zinc/58/44/08/1210584408.db2.gz UUUWMCZFQGBDEJ-ACCUITESSA-N -1 1 332.429 2.057 20 0 EEADMM Cc1cccc(C2(NC(=O)Cc3sc(N)nc3[O-])CCCC2)c1 ZINC000079958642 1210756222 /nfs/dbraw/zinc/75/62/22/1210756222.db2.gz MVHAMEVUJXMXSQ-ZDUSSCGKSA-N -1 1 331.441 2.227 20 0 EEADMM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3ncccc3[O-])C2)cc1 ZINC000951984209 1211149430 /nfs/dbraw/zinc/14/94/30/1211149430.db2.gz BUONTNLKUPJQBF-HNNXBMFYSA-N -1 1 339.395 2.130 20 0 EEADMM Cc1ccn2cc(CNC(=O)c3c(C)nc(C(C)C)[n-]c3=O)nc2c1 ZINC000081599178 1211245843 /nfs/dbraw/zinc/24/58/43/1211245843.db2.gz OWNTYHPTXNGORD-UHFFFAOYSA-N -1 1 339.399 2.088 20 0 EEADMM Cc1cccc(C)c1C(=O)NC[C@@H]1CCN1C(=O)c1ncccc1[O-] ZINC000952229229 1211291342 /nfs/dbraw/zinc/29/13/42/1211291342.db2.gz PLBGSWSCPCLRAD-AWEZNQCLSA-N -1 1 339.395 2.049 20 0 EEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000084317490 1211540890 /nfs/dbraw/zinc/54/08/90/1211540890.db2.gz DJEGZQBPCVNZQE-UHFFFAOYSA-N -1 1 343.416 2.257 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)C(C)(C)F ZINC000953522059 1211857263 /nfs/dbraw/zinc/85/72/63/1211857263.db2.gz JIHPOPPSKZWSAM-NWDGAFQWSA-N -1 1 337.395 2.035 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC000953578587 1211895006 /nfs/dbraw/zinc/89/50/06/1211895006.db2.gz YUCZZTGURMRTGA-UKRRQHHQSA-N -1 1 343.427 2.253 20 0 EEADMM Cc1sc(C(=O)NN2CC(=O)[N-]C2=O)cc1-c1ccc(F)cc1 ZINC000088280271 1212267159 /nfs/dbraw/zinc/26/71/59/1212267159.db2.gz HSKWCTWRBXYDRA-UHFFFAOYSA-N -1 1 333.344 2.059 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000954127903 1212476799 /nfs/dbraw/zinc/47/67/99/1212476799.db2.gz KYONLYCMVINFPX-UHFFFAOYSA-N -1 1 345.443 2.286 20 0 EEADMM O=C(N[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1)c1ncccc1[O-] ZINC001007191644 1212529319 /nfs/dbraw/zinc/52/93/19/1212529319.db2.gz UJXSXXUHCYABAN-CYBMUJFWSA-N -1 1 342.399 2.047 20 0 EEADMM C[C@@H]1C[C@H](NC(=O)C23CCC(CC2)C3)CN1C(=O)c1ncccc1[O-] ZINC001012502033 1225388720 /nfs/dbraw/zinc/38/87/20/1225388720.db2.gz AYVJDLYFZVYDGL-GWMLXNDSSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@H]1C[C@@H](NC(=O)C2(F)CCCCC2)CN1C(=O)c1ncccc1[O-] ZINC001012504656 1225391189 /nfs/dbraw/zinc/39/11/89/1225391189.db2.gz CAEZRQNFBMHORO-QWHCGFSZSA-N -1 1 349.406 2.179 20 0 EEADMM Cc1cccc(C(=O)N(C)C2CN(C(=O)c3ncccc3[O-])C2)c1C ZINC000955289585 1212981872 /nfs/dbraw/zinc/98/18/72/1212981872.db2.gz KMVIGTIESFYHID-UHFFFAOYSA-N -1 1 339.395 2.001 20 0 EEADMM Cc1coc(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@@H](C)C2)c1 ZINC000955639546 1213228348 /nfs/dbraw/zinc/22/83/48/1213228348.db2.gz ABTGRPKOLCGMFD-STQMWFEESA-N -1 1 343.383 2.112 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(F)ccc2C)[n-]1 ZINC000796360045 1213878772 /nfs/dbraw/zinc/87/87/72/1213878772.db2.gz CWHUBYUETDLAJW-JTQLQIEISA-N -1 1 348.330 2.433 20 0 EEADMM COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)[n-]1 ZINC000796368640 1213897575 /nfs/dbraw/zinc/89/75/75/1213897575.db2.gz GWMUZAZONIQZSD-LBPRGKRZSA-N -1 1 344.367 2.005 20 0 EEADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000956477835 1213906390 /nfs/dbraw/zinc/90/63/90/1213906390.db2.gz GTKHMOCJPRAIIQ-ZIAGYGMSSA-N -1 1 345.443 2.190 20 0 EEADMM CC(C)C1(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)CC1 ZINC000959268821 1214416024 /nfs/dbraw/zinc/41/60/24/1214416024.db2.gz AGNCXZPVBKTCFK-ZIAGYGMSSA-N -1 1 345.443 2.190 20 0 EEADMM CCCCc1ccc(N2C[C@@H](C(=O)Nc3c[n-][nH]c3=O)CC2=O)cc1 ZINC001412847317 1214479913 /nfs/dbraw/zinc/47/99/13/1214479913.db2.gz KYKZZXBIUKEHTD-ZDUSSCGKSA-N -1 1 342.399 2.450 20 0 EEADMM CC[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962943367 1217299921 /nfs/dbraw/zinc/29/99/21/1217299921.db2.gz IJJCNQOQRQJQEB-MELADBBJSA-N -1 1 331.416 2.039 20 0 EEADMM O=C(CCC1CC1)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1[O-] ZINC000962947917 1217302482 /nfs/dbraw/zinc/30/24/82/1217302482.db2.gz UMOXEXDQRXMBEC-LSDHHAIUSA-N -1 1 343.427 2.183 20 0 EEADMM CN(C[C@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)c1ncccc1[O-] ZINC000965968193 1219406221 /nfs/dbraw/zinc/40/62/21/1219406221.db2.gz VEVUHAFIMHNUJC-CYBMUJFWSA-N -1 1 343.383 2.005 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)CC1CCCCC1 ZINC000966329981 1219680921 /nfs/dbraw/zinc/68/09/21/1219680921.db2.gz MHIWREDYWLHNFS-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])C1CN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000967909598 1220910801 /nfs/dbraw/zinc/91/08/01/1220910801.db2.gz YMHFJVUIAQEUOW-AWEZNQCLSA-N -1 1 343.427 2.040 20 0 EEADMM CCC(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC000968886481 1221645654 /nfs/dbraw/zinc/64/56/54/1221645654.db2.gz NOGAGWXFASEBOR-OKILXGFUSA-N -1 1 331.416 2.039 20 0 EEADMM C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001006800240 1221950862 /nfs/dbraw/zinc/95/08/62/1221950862.db2.gz OBWLFSQNPHSVDS-QWHCGFSZSA-N -1 1 345.443 2.190 20 0 EEADMM O=C(N[C@H]1CCCN(Cc2cccc(Cl)n2)C1)c1ncccc1[O-] ZINC001007187891 1222125232 /nfs/dbraw/zinc/12/52/32/1222125232.db2.gz HKQZMIXNZSODHL-ZDUSSCGKSA-N -1 1 346.818 2.230 20 0 EEADMM CC1(C)CN(C(=O)c2cccs2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001008069694 1222603044 /nfs/dbraw/zinc/60/30/44/1222603044.db2.gz LVNVSQCIPWIIKI-ZDUSSCGKSA-N -1 1 345.424 2.129 20 0 EEADMM C/C=C(/C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ncccc3[O-])C[C@H]2C1 ZINC001009833178 1223403320 /nfs/dbraw/zinc/40/33/20/1223403320.db2.gz SAEMCOBURZWZAD-IPJBRYRRSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])CN1C(=O)C1(F)CCCC1 ZINC001010205912 1223603906 /nfs/dbraw/zinc/60/39/06/1223603906.db2.gz UBGANJXTEHPZCA-QWHCGFSZSA-N -1 1 349.406 2.036 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)c1[O-] ZINC001010645502 1223830089 /nfs/dbraw/zinc/83/00/89/1223830089.db2.gz YOLKEPBGZSNGTC-MRXNPFEDSA-N -1 1 340.427 2.305 20 0 EEADMM O=C(N[C@@H]1CCN(Cc2cc(F)ccc2F)C1)c1ncccc1[O-] ZINC001010720883 1223870043 /nfs/dbraw/zinc/87/00/43/1223870043.db2.gz ALRWBRZYPHZOPA-CYBMUJFWSA-N -1 1 333.338 2.070 20 0 EEADMM CC(C(=O)N(C)C1CC(NC(=O)c2ncccc2[O-])C1)=C1CCCC1 ZINC001016379543 1226413875 /nfs/dbraw/zinc/41/38/75/1226413875.db2.gz QXMLJXNGHZSWQE-UHFFFAOYSA-N -1 1 343.427 2.397 20 0 EEADMM CC[C@H](C)C(=O)N1CCC(C2(NC(=O)c3ncccc3[O-])CC2)CC1 ZINC001017153619 1227176818 /nfs/dbraw/zinc/17/68/18/1227176818.db2.gz BCTVZCICSJNCAJ-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM CC(C)(C)c1cnc(CN2CC[C@H]2CNC(=O)c2ncccc2[O-])o1 ZINC001038184980 1229681181 /nfs/dbraw/zinc/68/11/81/1229681181.db2.gz ULHHJNXGGJKRHM-LBPRGKRZSA-N -1 1 344.415 2.077 20 0 EEADMM CN(CCCN(C)C(=O)C1CC(C)(C)C1)C(=O)c1ncccc1[O-] ZINC001067255121 1229784284 /nfs/dbraw/zinc/78/42/84/1229784284.db2.gz GPGXPEWTOPXZBH-UHFFFAOYSA-N -1 1 333.432 2.144 20 0 EEADMM O=C(NC[C@H]1CC[N@@H+]1Cc1ccsc1)c1cnc(C2CC2)[nH]c1=O ZINC001038785227 1230054406 /nfs/dbraw/zinc/05/44/06/1230054406.db2.gz ILLSNTUCTHSJHH-CYBMUJFWSA-N -1 1 344.440 2.125 20 0 EEADMM O=C(NC[C@@H]1CCN1CC1=CCCCC1)c1ccc2oc(=O)nc-2[n-]1 ZINC001038921157 1230164378 /nfs/dbraw/zinc/16/43/78/1230164378.db2.gz KSGJJBQQGHXQLB-ZDUSSCGKSA-N -1 1 342.399 2.233 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(Cc2ccc3cc[nH]c3c2)C1 ZINC001042646582 1232128867 /nfs/dbraw/zinc/12/88/67/1232128867.db2.gz RZOUQSBMLBUPMO-UHFFFAOYSA-N -1 1 336.395 2.225 20 0 EEADMM O=C(c1ncccc1[O-])N1CC[C@H]2CCN(c3cccc(F)n3)[C@H]2C1 ZINC001044995540 1233430219 /nfs/dbraw/zinc/43/02/19/1233430219.db2.gz VUXNCTOBEMFBCS-STQMWFEESA-N -1 1 342.374 2.062 20 0 EEADMM Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC000800723971 1234477025 /nfs/dbraw/zinc/47/70/25/1234477025.db2.gz HAQKAHPHRPBGOB-UHFFFAOYSA-N -1 1 347.385 2.008 20 0 EEADMM CSc1c(F)cccc1[N-]C(=O)c1coc(S(N)(=O)=O)c1 ZINC001413268943 1235111041 /nfs/dbraw/zinc/11/10/41/1235111041.db2.gz XUMJVKYBXPITEV-UHFFFAOYSA-N -1 1 330.362 2.040 20 0 EEADMM O=C(NC[C@@H]1CCCN1CC(F)F)c1ncc2ccccc2c1[O-] ZINC001413276742 1235127224 /nfs/dbraw/zinc/12/72/24/1235127224.db2.gz XQTREMYMPXTKPN-LBPRGKRZSA-N -1 1 335.354 2.400 20 0 EEADMM CCc1nnc([C@@H](C)OC(=O)c2nn(-c3ccccc3)cc2[O-])o1 ZINC000801202857 1235213151 /nfs/dbraw/zinc/21/31/51/1235213151.db2.gz MPXSIKOXLPGTBD-SNVBAGLBSA-N -1 1 328.328 2.441 20 0 EEADMM COc1ccc(COC(=O)c2ccc(Br)c([O-])c2)nn1 ZINC000801293135 1235367709 /nfs/dbraw/zinc/36/77/09/1235367709.db2.gz RPOISUFYJFYCQQ-UHFFFAOYSA-N -1 1 339.145 2.310 20 0 EEADMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000901210122 1235392590 /nfs/dbraw/zinc/39/25/90/1235392590.db2.gz MTAICOHUNDEDNM-BNOWGMLFSA-N -1 1 329.400 2.137 20 0 EEADMM O=C(OCCN1CCCC1=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000801358498 1235455510 /nfs/dbraw/zinc/45/55/10/1235455510.db2.gz KUOMWQAQYHRGMB-UHFFFAOYSA-N -1 1 349.774 2.011 20 0 EEADMM COc1ccc(-n2cc([O-])c(C(=O)O[C@H](C)c3nc(C)no3)n2)cc1 ZINC000801364545 1235461241 /nfs/dbraw/zinc/46/12/41/1235461241.db2.gz XKVGZDATIWHIMH-SECBINFHSA-N -1 1 344.327 2.196 20 0 EEADMM Cc1ccc(-n2cc([O-])c(C(=O)OC[C@@H]3CC4(CC4)C(=O)O3)n2)cc1 ZINC000801372196 1235466719 /nfs/dbraw/zinc/46/67/19/1235466719.db2.gz ZUOGTISCCJQODX-ZDUSSCGKSA-N -1 1 342.351 2.139 20 0 EEADMM CCc1ccccc1-n1cc([O-])c(C(=O)OCc2cnn(C)c2)n1 ZINC000801417831 1235548852 /nfs/dbraw/zinc/54/88/52/1235548852.db2.gz ROZJITUWHZWXII-UHFFFAOYSA-N -1 1 326.356 2.231 20 0 EEADMM C[C@@H](O)C(=O)OCCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616596 1236054012 /nfs/dbraw/zinc/05/40/12/1236054012.db2.gz PWNODRTXQMUPPH-LLVKDONJSA-N -1 1 334.397 2.255 20 0 EEADMM COc1ncc(Br)cc1CN(CCC(=O)[O-])C1CC1 ZINC000901971255 1236750063 /nfs/dbraw/zinc/75/00/63/1236750063.db2.gz HARVVIVUNKHHKC-UHFFFAOYSA-N -1 1 329.194 2.292 20 0 EEADMM C[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000902200393 1237203966 /nfs/dbraw/zinc/20/39/66/1237203966.db2.gz AEGKRKSMJZBPJB-ILXRZTDVSA-N -1 1 348.443 2.418 20 0 EEADMM O=C([O-])c1occc1CN[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000902204441 1237208598 /nfs/dbraw/zinc/20/85/98/1237208598.db2.gz SVQLPSVXQBLATO-MRXNPFEDSA-N -1 1 342.395 2.301 20 0 EEADMM CCC[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1ncccc1[O-] ZINC001056321440 1239190917 /nfs/dbraw/zinc/19/09/17/1239190917.db2.gz OVJRGYOWRNPHHH-SOUVJXGZSA-N -1 1 345.443 2.429 20 0 EEADMM O=C(CC1CCCCCC1)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC001000576988 1240537626 /nfs/dbraw/zinc/53/76/26/1240537626.db2.gz OEIKHBAUEPERJS-UHFFFAOYSA-N -1 1 331.416 2.088 20 0 EEADMM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc(Oc4ccccc4)nn3)C[C@@H]21 ZINC000903626729 1241249048 /nfs/dbraw/zinc/24/90/48/1241249048.db2.gz HLOWBXUHJYYBBO-HLLBOEOZSA-N -1 1 325.368 2.421 20 0 EEADMM COCCN(CCC(=O)[O-])[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000903711892 1241675275 /nfs/dbraw/zinc/67/52/75/1241675275.db2.gz OKKNTIDZLMWIEP-SFHVURJKSA-N -1 1 348.443 2.163 20 0 EEADMM CC(C)c1cc(N2CCCN(C(=O)c3ncccc3[O-])CC2)ncn1 ZINC001057127286 1241905534 /nfs/dbraw/zinc/90/55/34/1241905534.db2.gz MOVOCFIIPDIQSM-UHFFFAOYSA-N -1 1 341.415 2.053 20 0 EEADMM Cc1cnc(COCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)o1 ZINC000803900393 1242266507 /nfs/dbraw/zinc/26/65/07/1242266507.db2.gz WYMWMHISQRVEGF-UHFFFAOYSA-N -1 1 345.307 2.055 20 0 EEADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001543894 1242458132 /nfs/dbraw/zinc/45/81/32/1242458132.db2.gz JGNULNGVEHEGAT-DZGCQCFKSA-N -1 1 345.443 2.192 20 0 EEADMM CCc1nc(C)cc(N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001057624340 1244472293 /nfs/dbraw/zinc/47/22/93/1244472293.db2.gz XECUYLGMVHIBKB-ZDUSSCGKSA-N -1 1 341.415 2.165 20 0 EEADMM Cc1ccc2oc(N[C@@H](C)CNC(=O)c3ncccc3[O-])nc2c1 ZINC001097765862 1244583040 /nfs/dbraw/zinc/58/30/40/1244583040.db2.gz ZJQGXMWYKMGHFH-NSHDSACASA-N -1 1 326.356 2.467 20 0 EEADMM COc1ccc2oc(N[C@H](C)CNC(=O)c3ncccc3[O-])nc2c1 ZINC001097765253 1244583276 /nfs/dbraw/zinc/58/32/76/1244583276.db2.gz PXLQCCQXKIJREV-SNVBAGLBSA-N -1 1 342.355 2.167 20 0 EEADMM Cc1cc(N[C@H](C)[C@H]2CCCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001058007076 1248253848 /nfs/dbraw/zinc/25/38/48/1248253848.db2.gz PFKHJKCRFCZFOR-ZIAGYGMSSA-N -1 1 341.415 2.381 20 0 EEADMM CCc1cc(C)nc(N[C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)n1 ZINC001069064393 1252168053 /nfs/dbraw/zinc/16/80/53/1252168053.db2.gz AYNVAUPOPSKXAR-JSGCOSHPSA-N -1 1 341.415 2.163 20 0 EEADMM CCCCC(=O)NC1(CC)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322714 1252743443 /nfs/dbraw/zinc/74/34/43/1252743443.db2.gz NWBJDYPSRFHWCK-UHFFFAOYSA-N -1 1 333.432 2.478 20 0 EEADMM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345419982 1278552006 /nfs/dbraw/zinc/55/20/06/1278552006.db2.gz CEAMVLBHFNZDEC-GFCCVEGCSA-N -1 1 339.355 2.185 20 0 EEADMM CN(C)c1nc(NC(=O)c2scnc2C2CC2)c(N=O)c(=O)[n-]1 ZINC001185673366 1278757194 /nfs/dbraw/zinc/75/71/94/1278757194.db2.gz NMYXCQURKMVOQD-UHFFFAOYSA-N -1 1 334.361 2.232 20 0 EEADMM O=S(=O)([N-]c1ccc(-n2ccnn2)cc1)c1ccc(Cl)nc1 ZINC001185679002 1278759082 /nfs/dbraw/zinc/75/90/82/1278759082.db2.gz KAFZHKDIPXZMBC-UHFFFAOYSA-N -1 1 335.776 2.117 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnc(Cl)c1O ZINC001185879076 1278846192 /nfs/dbraw/zinc/84/61/92/1278846192.db2.gz HLNQKIZRACCHMG-UHFFFAOYSA-N -1 1 342.760 2.248 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccn2nccc12 ZINC001185878715 1278846967 /nfs/dbraw/zinc/84/69/67/1278846967.db2.gz BRHTVUAXMWIIEF-UHFFFAOYSA-N -1 1 331.353 2.142 20 0 EEADMM Cn1cnc2c1cccc2NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193035 1278984780 /nfs/dbraw/zinc/98/47/80/1278984780.db2.gz IYUZBRPNFQVJEP-UHFFFAOYSA-N -1 1 349.343 2.211 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001186218303 1279010775 /nfs/dbraw/zinc/01/07/75/1279010775.db2.gz DGDTXVYNKDEGLZ-UHFFFAOYSA-N -1 1 342.326 2.228 20 0 EEADMM 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/nfs/dbraw/zinc/18/64/82/1321186482.db2.gz STQGWYPXKQPYMG-QMMMGPOBSA-N -1 1 327.163 2.046 20 0 EEADMM O=C(NCCC1(CNCC(F)(F)C(F)F)CC1)c1ncccc1[O-] ZINC001164215147 1321321897 /nfs/dbraw/zinc/32/18/97/1321321897.db2.gz YGIRNUSGCMWNKA-UHFFFAOYSA-N -1 1 349.328 2.177 20 0 EEADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccccc1CN1CCOCC1 ZINC001209925982 1325100217 /nfs/dbraw/zinc/10/02/17/1325100217.db2.gz KLIIYMPZKJUAOV-UHFFFAOYSA-N -1 1 347.400 2.445 20 0 EEADMM O=C(CN[C@H](C[C@@H]1CCCO1)C(=O)[O-])NCCCC1CCCCC1 ZINC001601325760 1350257793 /nfs/dbraw/zinc/25/77/93/1350257793.db2.gz QBWOCMSDTMDKSP-JKSUJKDBSA-N -1 1 340.464 2.075 20 0 EEADMM O=C([O-])COc1ccc(NS(=O)(=O)c2ccoc2)cc1Cl ZINC001602091192 1350434967 /nfs/dbraw/zinc/43/49/67/1350434967.db2.gz OPIKIAIAUUXDCL-UHFFFAOYSA-N -1 1 331.733 2.197 20 0 EEADMM O=C([O-])c1ccc(OC[C@@H](O)CNCc2ccc(F)cc2F)cc1 ZINC001602389614 1350508622 /nfs/dbraw/zinc/50/86/22/1350508622.db2.gz QRCJGRHPQRHWIP-AWEZNQCLSA-N -1 1 337.322 2.193 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001603584704 1350724897 /nfs/dbraw/zinc/72/48/97/1350724897.db2.gz VXFQKEINBMJKSS-SECBINFHSA-N -1 1 347.375 2.384 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001603584704 1350724901 /nfs/dbraw/zinc/72/49/01/1350724901.db2.gz VXFQKEINBMJKSS-SECBINFHSA-N -1 1 347.375 2.384 20 0 EEADMM C[C@@H]1OCC[C@]12CN(Cc1ccnc3c(C(=O)[O-])cccc13)CCO2 ZINC001604836187 1351017470 /nfs/dbraw/zinc/01/74/70/1351017470.db2.gz WIHDGQYOOWGGLF-DJJJIMSYSA-N -1 1 342.395 2.313 20 0 EEADMM NCc1nccnc1NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001608258783 1351658410 /nfs/dbraw/zinc/65/84/10/1351658410.db2.gz OYCOHXDOOBKAOU-OAHLLOKOSA-N -1 1 336.395 2.444 20 0 EEADMM Nc1c(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cccc1C(=O)[O-] ZINC001608270847 1351659719 /nfs/dbraw/zinc/65/97/19/1351659719.db2.gz PQYCBJJOMKBBGO-UHFFFAOYSA-N -1 1 338.323 2.315 20 0 EEADMM O=C([O-])Cc1ccccc1COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001608790504 1351764540 /nfs/dbraw/zinc/76/45/40/1351764540.db2.gz KMLWSFSKQSIZPT-UHFFFAOYSA-N -1 1 337.335 2.456 20 0 EEADMM O=C([O-])c1cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)n2c1CCCC2 ZINC001608842428 1351776886 /nfs/dbraw/zinc/77/68/86/1351776886.db2.gz OGFLQMBCQHDSQO-GXFFZTMASA-N -1 1 346.349 2.125 20 0 EEADMM O=C([O-])c1ccc(CNCc2ccc(N3CCOC3=O)cc2)nc1 ZINC001608887731 1351787551 /nfs/dbraw/zinc/78/75/51/1351787551.db2.gz YGEVGXRLOWPDPR-UHFFFAOYSA-N -1 1 327.340 2.026 20 0 EEADMM O=C([O-])c1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1Cl ZINC001608930787 1351797269 /nfs/dbraw/zinc/79/72/69/1351797269.db2.gz DEXLZNCPPDQKDT-CQSZACIVSA-N -1 1 338.835 2.335 20 0 EEADMM CCc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)nn1C ZINC001319975619 1332803936 /nfs/dbraw/zinc/80/39/36/1332803936.db2.gz BTGNDUFGQIJVAF-UHFFFAOYSA-N -1 1 328.324 2.152 20 0 EEADMM O=C([O-])c1coc(S(=O)(=O)NCC(F)(F)c2ccccc2)c1 ZINC001608990998 1351809740 /nfs/dbraw/zinc/80/97/40/1351809740.db2.gz YYXJJOIPJLCUAM-UHFFFAOYSA-N -1 1 331.296 2.048 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1F ZINC001321142916 1333029409 /nfs/dbraw/zinc/02/94/09/1333029409.db2.gz UWSPZNMKGBIKRI-UHFFFAOYSA-N -1 1 348.359 2.461 20 0 EEADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609101668 1351844011 /nfs/dbraw/zinc/84/40/11/1351844011.db2.gz GFQRAABMCJOQCP-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609101668 1351844014 /nfs/dbraw/zinc/84/40/14/1351844014.db2.gz GFQRAABMCJOQCP-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001609132511 1351854709 /nfs/dbraw/zinc/85/47/09/1351854709.db2.gz XYXGDUUTCQTPHU-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001609132511 1351854711 /nfs/dbraw/zinc/85/47/11/1351854711.db2.gz XYXGDUUTCQTPHU-MRVPVSSYSA-N -1 1 331.282 2.458 20 0 EEADMM CCCCN(C)C(=O)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001325043807 1333817142 /nfs/dbraw/zinc/81/71/42/1333817142.db2.gz RJRRVUTZFKDFLM-UHFFFAOYSA-N -1 1 346.427 2.072 20 0 EEADMM CCCC[C@@H](C)N(CCCC)C(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001609207656 1351891623 /nfs/dbraw/zinc/89/16/23/1351891623.db2.gz ORDCUUFRXDACRH-CHWSQXEVSA-N -1 1 348.455 2.227 20 0 EEADMM CCOc1ccc(Nc2cncc(-c3nnn[n-]3)n2)cc1OCC ZINC001609245369 1351907242 /nfs/dbraw/zinc/90/72/42/1351907242.db2.gz JTGVCDWYNFGVRW-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM CCOc1ccc(Nc2cncc(-c3nn[n-]n3)n2)cc1OCC ZINC001609245369 1351907244 /nfs/dbraw/zinc/90/72/44/1351907244.db2.gz JTGVCDWYNFGVRW-UHFFFAOYSA-N -1 1 327.348 2.198 20 0 EEADMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1 ZINC000007055386 1351913752 /nfs/dbraw/zinc/91/37/52/1351913752.db2.gz MYGNAVHJFBIWGE-UHFFFAOYSA-N -1 1 343.408 2.196 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609310118 1351928068 /nfs/dbraw/zinc/92/80/68/1351928068.db2.gz DIZSMWCDYQXRCS-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609310118 1351928071 /nfs/dbraw/zinc/92/80/71/1351928071.db2.gz DIZSMWCDYQXRCS-YMTOWFKASA-N -1 1 345.334 2.105 20 0 EEADMM CCS(=O)(=O)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001329047318 1334574605 /nfs/dbraw/zinc/57/46/05/1334574605.db2.gz KPMSAXPAHFOIMH-UHFFFAOYSA-N -1 1 333.365 2.007 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)c2ccccc2-n2cccn2)n1 ZINC001609392571 1351957990 /nfs/dbraw/zinc/95/79/90/1351957990.db2.gz VTZVUBMTCIIGFT-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)c2ccccc2-n2cccn2)n1 ZINC001609392571 1351957991 /nfs/dbraw/zinc/95/79/91/1351957991.db2.gz VTZVUBMTCIIGFT-LBPRGKRZSA-N -1 1 347.386 2.324 20 0 EEADMM Cc1cc(C)c(CCNC(=O)c2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC001609397341 1351960495 /nfs/dbraw/zinc/96/04/95/1351960495.db2.gz RUHFDBJQRBRPRN-UHFFFAOYSA-N -1 1 336.399 2.159 20 0 EEADMM Cc1cc(C)c(CCNC(=O)c2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC001609397341 1351960497 /nfs/dbraw/zinc/96/04/97/1351960497.db2.gz RUHFDBJQRBRPRN-UHFFFAOYSA-N -1 1 336.399 2.159 20 0 EEADMM Cc1cc(COC(=O)c2ccc([O-])cc2F)ccc1-c1nn[nH]n1 ZINC001609402871 1351962428 /nfs/dbraw/zinc/96/24/28/1351962428.db2.gz WREOYGBFLCZUJK-UHFFFAOYSA-N -1 1 328.303 2.377 20 0 EEADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC001609421533 1351969601 /nfs/dbraw/zinc/96/96/01/1351969601.db2.gz IYLZRUMNUYDWOH-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001609435823 1351976149 /nfs/dbraw/zinc/97/61/49/1351976149.db2.gz LHCNZLQGVKRBNY-MRXNPFEDSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1ccccc1[C@@]1(F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001609435823 1351976151 /nfs/dbraw/zinc/97/61/51/1351976151.db2.gz LHCNZLQGVKRBNY-MRXNPFEDSA-N -1 1 325.351 2.040 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001609464851 1351986873 /nfs/dbraw/zinc/98/68/73/1351986873.db2.gz HPEAZLJEFPSPDG-SSDOTTSWSA-N -1 1 328.348 2.396 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001609464851 1351986874 /nfs/dbraw/zinc/98/68/74/1351986874.db2.gz HPEAZLJEFPSPDG-SSDOTTSWSA-N -1 1 328.348 2.396 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nnn[n-]2)cc(F)c1F ZINC001609489478 1351996513 /nfs/dbraw/zinc/99/65/13/1351996513.db2.gz HYWXMMFDFSUQEW-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM Fc1cc([C@@H]2C[C@H]2Nc2nccnc2-c2nn[n-]n2)cc(F)c1F ZINC001609489478 1351996515 /nfs/dbraw/zinc/99/65/15/1351996515.db2.gz HYWXMMFDFSUQEW-OIBJUYFYSA-N -1 1 333.277 2.042 20 0 EEADMM O=C(N[C@H]1CCCc2sccc21)c1cccc(-c2nnn[n-]2)n1 ZINC001609541953 1352010878 /nfs/dbraw/zinc/01/08/78/1352010878.db2.gz UCUIQJAYRWOZSK-JTQLQIEISA-N -1 1 326.385 2.131 20 0 EEADMM O=C(N[C@H]1CCCc2sccc21)c1cccc(-c2nn[n-]n2)n1 ZINC001609541953 1352010880 /nfs/dbraw/zinc/01/08/80/1352010880.db2.gz UCUIQJAYRWOZSK-JTQLQIEISA-N -1 1 326.385 2.131 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001609560687 1352016506 /nfs/dbraw/zinc/01/65/06/1352016506.db2.gz BZGZOWGQQSUSRB-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001609560687 1352016512 /nfs/dbraw/zinc/01/65/12/1352016512.db2.gz BZGZOWGQQSUSRB-SMDDNHRTSA-N -1 1 340.774 2.201 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1coc(C2CCC2)n1 ZINC001609561257 1352016910 /nfs/dbraw/zinc/01/69/10/1352016910.db2.gz RWRFBGVOLZBCFZ-UHFFFAOYSA-N -1 1 326.316 2.080 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](c2ccco2)C1 ZINC001609583102 1352026588 /nfs/dbraw/zinc/02/65/88/1352026588.db2.gz POQZASHMTLPQOU-SNVBAGLBSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](c2ccco2)C1 ZINC001609583102 1352026590 /nfs/dbraw/zinc/02/65/90/1352026590.db2.gz POQZASHMTLPQOU-SNVBAGLBSA-N -1 1 327.319 2.229 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCSC[C@H]1C1CCC1 ZINC001609585634 1352028279 /nfs/dbraw/zinc/02/82/79/1352028279.db2.gz ZMLRWHQTXFZOHR-NSHDSACASA-N -1 1 335.458 2.286 20 0 EEADMM O=C(NCCCOCc1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC001333085001 1335960228 /nfs/dbraw/zinc/96/02/28/1335960228.db2.gz FVXDPTQSBVXGIX-UHFFFAOYSA-N -1 1 327.384 2.396 20 0 EEADMM CC(C)C[C@@H](C(=O)[O-])N(C)CCS(=O)(=O)c1ccc(F)cc1 ZINC001609701748 1352063381 /nfs/dbraw/zinc/06/33/81/1352063381.db2.gz HWQFHPRKANBOFN-AWEZNQCLSA-N -1 1 331.409 2.031 20 0 EEADMM C[C@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)c1cc(C(=O)[O-])cs1 ZINC001609777622 1352082979 /nfs/dbraw/zinc/08/29/79/1352082979.db2.gz CKRQGPMVIGUVAK-VIFPVBQESA-N -1 1 329.385 2.477 20 0 EEADMM C[C@H]1C[C@@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)N1c1ccccc1 ZINC001609844446 1352099161 /nfs/dbraw/zinc/09/91/61/1352099161.db2.gz KLAAJUAXXPDBDW-SWLSCSKDSA-N -1 1 327.384 2.007 20 0 EEADMM CCn1c(-c2cc(Cl)ncc2[O-])nnc1N(C)Cc1ccn(C)n1 ZINC001341054651 1337277880 /nfs/dbraw/zinc/27/78/80/1337277880.db2.gz PHDLIFPJOQMDSJ-UHFFFAOYSA-N -1 1 347.810 2.089 20 0 EEADMM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001610158081 1352175674 /nfs/dbraw/zinc/17/56/74/1352175674.db2.gz GBLOLZBKUBGJCK-CQSZACIVSA-N -1 1 349.280 2.451 20 0 EEADMM COc1ccc([C@H](C)NCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001610321486 1352205210 /nfs/dbraw/zinc/20/52/10/1352205210.db2.gz VBEJKKVVMVSNKT-ZDUSSCGKSA-N -1 1 334.416 2.250 20 0 EEADMM CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(F)c1 ZINC001200810748 1338642671 /nfs/dbraw/zinc/64/26/71/1338642671.db2.gz MMNVHTVWEUYGJK-UHFFFAOYSA-N -1 1 340.351 2.434 20 0 EEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccnc(CN)c2)cc1 ZINC001610384998 1352214149 /nfs/dbraw/zinc/21/41/49/1352214149.db2.gz WBOCTARJIKRBIY-OAHLLOKOSA-N -1 1 345.424 2.208 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)n1C ZINC001610409135 1352218400 /nfs/dbraw/zinc/21/84/00/1352218400.db2.gz NMJYDAFXZAELDO-QMHKHESXSA-N -1 1 334.441 2.241 20 0 EEADMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001610402977 1352217252 /nfs/dbraw/zinc/21/72/52/1352217252.db2.gz QTXHSKFZUPHVET-UHFFFAOYSA-N -1 1 344.346 2.318 20 0 EEADMM Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001610454411 1352225083 /nfs/dbraw/zinc/22/50/83/1352225083.db2.gz KECYCFVGFPFWTC-HNNXBMFYSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1nc2cccc(C(=O)N[C@@](C)(CC(=O)[O-])c3ccccn3)c2[nH]1 ZINC001610558930 1352244589 /nfs/dbraw/zinc/24/45/89/1352244589.db2.gz NLJJUWRIQSUOQH-SFHVURJKSA-N -1 1 338.367 2.386 20 0 EEADMM Cc1nccn1-c1ccncc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001610564427 1352245817 /nfs/dbraw/zinc/24/58/17/1352245817.db2.gz AGIOOIFHFXHTEV-OLZOCXBDSA-N -1 1 328.372 2.405 20 0 EEADMM NC(=O)[C@H]1CCCN1Cc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC001610635406 1352256425 /nfs/dbraw/zinc/25/64/25/1352256425.db2.gz OIASPJBNRJCZMA-OAHLLOKOSA-N -1 1 343.383 2.040 20 0 EEADMM O=C(N[C@@H](CNC(=O)C1=CCCCCC1)C1CC1)c1ncccc1[O-] ZINC001427898841 1339393606 /nfs/dbraw/zinc/39/36/06/1339393606.db2.gz JIYOBDYORXBODE-HNNXBMFYSA-N -1 1 343.427 2.302 20 0 EEADMM O=C([O-])C1(NCC(=O)N2CCC(c3ccccc3)=N2)CCCCCC1 ZINC001610666772 1352258901 /nfs/dbraw/zinc/25/89/01/1352258901.db2.gz HBHPSHDVDCVRIP-UHFFFAOYSA-N -1 1 343.427 2.390 20 0 EEADMM O=C([O-])C(=O)CCCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC001610713928 1352263641 /nfs/dbraw/zinc/26/36/41/1352263641.db2.gz ZGTRFCLUEPSWJT-UHFFFAOYSA-N -1 1 331.397 2.486 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)[C@H]1CCC(C)(C)C1 ZINC001429556179 1339942734 /nfs/dbraw/zinc/94/27/34/1339942734.db2.gz GWBWDWJVXCWZSQ-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CC[C@H](C)CC(=O)NC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001430396221 1340211584 /nfs/dbraw/zinc/21/15/84/1340211584.db2.gz SNKUXJGTZNSXOI-HSBZDZAISA-N -1 1 333.432 2.381 20 0 EEADMM O=C(COC(=O)c1cnn(-c2ccccc2)c1)c1ccc([O-])cc1O ZINC000018348509 1352358371 /nfs/dbraw/zinc/35/83/71/1352358371.db2.gz UJTGNAHEJGODGL-UHFFFAOYSA-N -1 1 338.319 2.323 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)NN1CCc2ccccc2C1=O ZINC001433841175 1341704646 /nfs/dbraw/zinc/70/46/46/1341704646.db2.gz DAZUVSTYFDGTAK-UHFFFAOYSA-N -1 1 330.771 2.318 20 0 EEADMM O=C(CCn1cccc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC001567371560 1342747891 /nfs/dbraw/zinc/74/78/91/1342747891.db2.gz FIXXEBRQHXMDPT-AWEZNQCLSA-N -1 1 348.769 2.090 20 0 EEADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001577387539 1344137929 /nfs/dbraw/zinc/13/79/29/1344137929.db2.gz ILYJADHMYNOJLZ-GXFFZTMASA-N -1 1 344.419 2.317 20 0 EEADMM CC[C@@H]1OCC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nnn[n-]2)n1 ZINC001578444534 1344278722 /nfs/dbraw/zinc/27/87/22/1344278722.db2.gz UDKXUQNGPFHHJC-SCZZXKLOSA-N -1 1 328.298 2.260 20 0 EEADMM CC[C@@H]1OCC[C@H]1Nc1cc(C(F)(F)F)cc(-c2nn[n-]n2)n1 ZINC001578444534 1344278726 /nfs/dbraw/zinc/27/87/26/1344278726.db2.gz UDKXUQNGPFHHJC-SCZZXKLOSA-N -1 1 328.298 2.260 20 0 EEADMM COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001579478789 1344387092 /nfs/dbraw/zinc/38/70/92/1344387092.db2.gz UUHRESZLKVKFPA-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM Cc1scc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c1C ZINC001581741264 1344659318 /nfs/dbraw/zinc/65/93/18/1344659318.db2.gz YGJZHHNLXZCZGU-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM Cc1scc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c1C ZINC001581741264 1344659321 /nfs/dbraw/zinc/65/93/21/1344659321.db2.gz YGJZHHNLXZCZGU-UHFFFAOYSA-N -1 1 329.389 2.262 20 0 EEADMM O=C([C@H](F)c1ccccc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001581914727 1344687419 /nfs/dbraw/zinc/68/74/19/1344687419.db2.gz SNGPIIQFKHNBMQ-OAHLLOKOSA-N -1 1 338.346 2.252 20 0 EEADMM O=C([C@H](F)c1ccccc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001581914727 1344687420 /nfs/dbraw/zinc/68/74/20/1344687420.db2.gz SNGPIIQFKHNBMQ-OAHLLOKOSA-N -1 1 338.346 2.252 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(Oc2ccccn2)c1 ZINC001582631918 1344771569 /nfs/dbraw/zinc/77/15/69/1344771569.db2.gz ROCFWDMHENOEAB-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(Oc2ccccn2)c1 ZINC001582631918 1344771572 /nfs/dbraw/zinc/77/15/72/1344771572.db2.gz ROCFWDMHENOEAB-UHFFFAOYSA-N -1 1 348.326 2.029 20 0 EEADMM O[C@H]1Cc2ccccc2[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001582814475 1344795871 /nfs/dbraw/zinc/79/58/71/1344795871.db2.gz MHIUCZFRQVFLLT-IUCAKERBSA-N -1 1 334.792 2.047 20 0 EEADMM Cc1ccc(-c2nc(C(=O)N3CCC(c4nn[n-]n4)CC3)cs2)o1 ZINC001587869057 1348873623 /nfs/dbraw/zinc/87/36/23/1348873623.db2.gz HDGWTZNVYBYYEI-UHFFFAOYSA-N -1 1 344.400 2.244 20 0 EEADMM CC(C)(C)OC[C@@H]1CCCN1C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001589197406 1348968930 /nfs/dbraw/zinc/96/89/30/1348968930.db2.gz MNXILEOVWNYTNW-NSHDSACASA-N -1 1 335.433 2.348 20 0 EEADMM CC(C)(C)c1cnc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC001589234397 1348973562 /nfs/dbraw/zinc/97/35/62/1348973562.db2.gz QBWWJYLMBZUSPC-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1cnc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC001589234397 1348973565 /nfs/dbraw/zinc/97/35/65/1348973565.db2.gz QBWWJYLMBZUSPC-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCC[C@H](F)C2)n1 ZINC001589248976 1348974741 /nfs/dbraw/zinc/97/47/41/1348974741.db2.gz FMHHAAKRULESRL-ZJUUUORDSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCC[C@H](F)C2)n1 ZINC001589248976 1348974743 /nfs/dbraw/zinc/97/47/43/1348974743.db2.gz FMHHAAKRULESRL-ZJUUUORDSA-N -1 1 335.387 2.285 20 0 EEADMM CC(C)(C)n1cc(COC(=O)c2csc(-c3nn[n-]n3)c2)cn1 ZINC001589259491 1348975964 /nfs/dbraw/zinc/97/59/64/1348975964.db2.gz XSRDSXRLABFRKK-UHFFFAOYSA-N -1 1 332.389 2.237 20 0 EEADMM CC(C)(F)COC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589312691 1348982328 /nfs/dbraw/zinc/98/23/28/1348982328.db2.gz NYJZUXLPDCOCSM-UHFFFAOYSA-N -1 1 326.328 2.160 20 0 EEADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(=O)OC(C)(C)C ZINC001589560068 1349004292 /nfs/dbraw/zinc/00/42/92/1349004292.db2.gz UEYVDTJYBMBUHK-LLVKDONJSA-N -1 1 347.423 2.073 20 0 EEADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(=O)OC(C)(C)C ZINC001589560068 1349004299 /nfs/dbraw/zinc/00/42/99/1349004299.db2.gz UEYVDTJYBMBUHK-LLVKDONJSA-N -1 1 347.423 2.073 20 0 EEADMM CC(C)O[C@@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC001589737066 1349025820 /nfs/dbraw/zinc/02/58/20/1349025820.db2.gz HCDCGUDOWIFXDU-QWHCGFSZSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)O[C@@H]1C[C@H](NC(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC001589737066 1349025824 /nfs/dbraw/zinc/02/58/24/1349025824.db2.gz HCDCGUDOWIFXDU-QWHCGFSZSA-N -1 1 347.394 2.328 20 0 EEADMM CC(C)c1ncc(CN(C)c2ccc(Cl)c(-c3nnn[n-]3)n2)cn1 ZINC001589777284 1349037669 /nfs/dbraw/zinc/03/76/69/1349037669.db2.gz ODXRHKBMXYYBOX-UHFFFAOYSA-N -1 1 344.810 2.465 20 0 EEADMM CC(C)c1ncc(CN(C)c2ccc(Cl)c(-c3nn[n-]n3)n2)cn1 ZINC001589777284 1349037675 /nfs/dbraw/zinc/03/76/75/1349037675.db2.gz ODXRHKBMXYYBOX-UHFFFAOYSA-N -1 1 344.810 2.465 20 0 EEADMM C[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001589792509 1349044320 /nfs/dbraw/zinc/04/43/20/1349044320.db2.gz CTCAGXMAGOZUDG-LBPRGKRZSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001589792509 1349044328 /nfs/dbraw/zinc/04/43/28/1349044328.db2.gz CTCAGXMAGOZUDG-LBPRGKRZSA-N -1 1 328.420 2.484 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CCC(F)CC1 ZINC001589938492 1349069996 /nfs/dbraw/zinc/06/99/96/1349069996.db2.gz JGIGLTWVZZFLRJ-WHXUTIOJSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CCC(F)CC1 ZINC001589938492 1349070004 /nfs/dbraw/zinc/07/00/04/1349070004.db2.gz JGIGLTWVZZFLRJ-WHXUTIOJSA-N -1 1 333.371 2.300 20 0 EEADMM C[C@@]1(Br)C[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590055037 1349134387 /nfs/dbraw/zinc/13/43/87/1349134387.db2.gz OVSYXNUDRCFMLG-UPONEAKYSA-N -1 1 343.206 2.259 20 0 EEADMM C[C@@]1(Br)C[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590055037 1349134393 /nfs/dbraw/zinc/13/43/93/1349134393.db2.gz OVSYXNUDRCFMLG-UPONEAKYSA-N -1 1 343.206 2.259 20 0 EEADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001590075792 1349140745 /nfs/dbraw/zinc/14/07/45/1349140745.db2.gz JAKWPGBSSNBDCV-SECBINFHSA-N -1 1 329.282 2.263 20 0 EEADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590075792 1349140751 /nfs/dbraw/zinc/14/07/51/1349140751.db2.gz JAKWPGBSSNBDCV-SECBINFHSA-N -1 1 329.282 2.263 20 0 EEADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1C(F)(F)F ZINC001590108741 1349157641 /nfs/dbraw/zinc/15/76/41/1349157641.db2.gz HLUAVAGNEWCAJI-VIFPVBQESA-N -1 1 327.314 2.072 20 0 EEADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1C(F)(F)F ZINC001590108741 1349157644 /nfs/dbraw/zinc/15/76/44/1349157644.db2.gz HLUAVAGNEWCAJI-VIFPVBQESA-N -1 1 327.314 2.072 20 0 EEADMM CC1(C)CO[C@H](CCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC001590111401 1349159841 /nfs/dbraw/zinc/15/98/41/1349159841.db2.gz QWSAXJUBJJOECY-LLVKDONJSA-N -1 1 339.403 2.427 20 0 EEADMM CC1(C)CO[C@H](CCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC001590111401 1349159843 /nfs/dbraw/zinc/15/98/43/1349159843.db2.gz QWSAXJUBJJOECY-LLVKDONJSA-N -1 1 339.403 2.427 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001590215422 1349204166 /nfs/dbraw/zinc/20/41/66/1349204166.db2.gz WNTHGAMPMGOTDA-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001590215422 1349204171 /nfs/dbraw/zinc/20/41/71/1349204171.db2.gz WNTHGAMPMGOTDA-ZYHUDNBSSA-N -1 1 325.351 2.178 20 0 EEADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001590219624 1349207507 /nfs/dbraw/zinc/20/75/07/1349207507.db2.gz OGEWOLDZQMSMCP-QCZKYFFMSA-N -1 1 332.433 2.020 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001590250038 1349227399 /nfs/dbraw/zinc/22/73/99/1349227399.db2.gz NOGBNVKXPPQZEW-CMPLNLGQSA-N -1 1 342.403 2.099 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)c2cccc(F)c2O1 ZINC001590308794 1349256491 /nfs/dbraw/zinc/25/64/91/1349256491.db2.gz TXINVGOOSDFZLN-JTQLQIEISA-N -1 1 326.335 2.188 20 0 EEADMM C[C@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)c2cccc(F)c2O1 ZINC001590308794 1349256495 /nfs/dbraw/zinc/25/64/95/1349256495.db2.gz TXINVGOOSDFZLN-JTQLQIEISA-N -1 1 326.335 2.188 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001590355959 1349282705 /nfs/dbraw/zinc/28/27/05/1349282705.db2.gz WUVSDKQGDOEJSF-JDGPPOGSSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001590355959 1349282707 /nfs/dbraw/zinc/28/27/07/1349282707.db2.gz WUVSDKQGDOEJSF-JDGPPOGSSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@@H](C)CC(=O)NC/C=C/CNc1snc(C)c1-c1nn[n-]n1 ZINC001590404734 1349305914 /nfs/dbraw/zinc/30/59/14/1349305914.db2.gz YOIWNIZDWKWCHK-BRAIEQGRSA-N -1 1 349.464 2.152 20 0 EEADMM CCC(CC)n1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001590436711 1349324338 /nfs/dbraw/zinc/32/43/38/1349324338.db2.gz IRSWJTIHGAYRRD-UHFFFAOYSA-N -1 1 326.364 2.072 20 0 EEADMM CCC(CC)n1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001590436711 1349324342 /nfs/dbraw/zinc/32/43/42/1349324342.db2.gz IRSWJTIHGAYRRD-UHFFFAOYSA-N -1 1 326.364 2.072 20 0 EEADMM CC[C@H](Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590452461 1349332282 /nfs/dbraw/zinc/33/22/82/1349332282.db2.gz ULOWNNGMTJPYBN-CYBMUJFWSA-N -1 1 348.414 2.004 20 0 EEADMM CC[C@@H](Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001590452462 1349332793 /nfs/dbraw/zinc/33/27/93/1349332793.db2.gz ULOWNNGMTJPYBN-ZDUSSCGKSA-N -1 1 348.414 2.004 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC ZINC001590458679 1349335794 /nfs/dbraw/zinc/33/57/94/1349335794.db2.gz CVBRCHAQAJKCQM-CYBMUJFWSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC ZINC001590458679 1349335799 /nfs/dbraw/zinc/33/57/99/1349335799.db2.gz CVBRCHAQAJKCQM-CYBMUJFWSA-N -1 1 338.371 2.151 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CC1(C)C ZINC001590470004 1349344703 /nfs/dbraw/zinc/34/47/03/1349344703.db2.gz NAZYYBSWHTULHI-IUCAKERBSA-N -1 1 341.462 2.031 20 0 EEADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CC1(C)C ZINC001590470004 1349344707 /nfs/dbraw/zinc/34/47/07/1349344707.db2.gz NAZYYBSWHTULHI-IUCAKERBSA-N -1 1 341.462 2.031 20 0 EEADMM CCC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001590496990 1349355930 /nfs/dbraw/zinc/35/59/30/1349355930.db2.gz XTJZXJQVFMAWMO-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM CCC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001590496990 1349355941 /nfs/dbraw/zinc/35/59/41/1349355941.db2.gz XTJZXJQVFMAWMO-UHFFFAOYSA-N -1 1 341.462 2.177 20 0 EEADMM CC[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590506684 1349359101 /nfs/dbraw/zinc/35/91/01/1349359101.db2.gz GOONUHVDMHKGLP-UWVGGRQHSA-N -1 1 341.462 2.033 20 0 EEADMM CCCCC[C@@H](OC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001590591146 1349374807 /nfs/dbraw/zinc/37/48/07/1349374807.db2.gz YPPHEGWQATZRSV-SNVBAGLBSA-N -1 1 338.389 2.207 20 0 EEADMM CCCCC[C@@H](OC(=O)c1csc(-c2nn[n-]n2)c1)C(=O)OC ZINC001590591146 1349374810 /nfs/dbraw/zinc/37/48/10/1349374810.db2.gz YPPHEGWQATZRSV-SNVBAGLBSA-N -1 1 338.389 2.207 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C1(C)C ZINC001590790488 1349400877 /nfs/dbraw/zinc/40/08/77/1349400877.db2.gz BZFMTUXGLMVNRM-QWHCGFSZSA-N -1 1 343.435 2.174 20 0 EEADMM CCO[C@@H]1C[C@H](N(C)c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C1(C)C ZINC001590790488 1349400881 /nfs/dbraw/zinc/40/08/81/1349400881.db2.gz BZFMTUXGLMVNRM-QWHCGFSZSA-N -1 1 343.435 2.174 20 0 EEADMM CC[C@H]1CC[C@H](NC(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001590869563 1349406187 /nfs/dbraw/zinc/40/61/87/1349406187.db2.gz NDFPJIURZKLYJJ-MGCOHNPYSA-N -1 1 335.437 2.091 20 0 EEADMM CC[C@H]1CC[C@H](NC(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001590869563 1349406196 /nfs/dbraw/zinc/40/61/96/1349406196.db2.gz NDFPJIURZKLYJJ-MGCOHNPYSA-N -1 1 335.437 2.091 20 0 EEADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001590868210 1349407521 /nfs/dbraw/zinc/40/75/21/1349407521.db2.gz XBRURQVEDVDREU-LBPRGKRZSA-N -1 1 344.350 2.112 20 0 EEADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001590868210 1349407524 /nfs/dbraw/zinc/40/75/24/1349407524.db2.gz XBRURQVEDVDREU-LBPRGKRZSA-N -1 1 344.350 2.112 20 0 EEADMM CCc1nc(NCCOc2cccc(Cl)c2)cc(-c2nnn[n-]2)n1 ZINC001590922381 1349412979 /nfs/dbraw/zinc/41/29/79/1349412979.db2.gz ONBJJRXFYHMWHI-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCc1nc(NCCOc2cccc(Cl)c2)cc(-c2nn[n-]n2)n1 ZINC001590922381 1349412980 /nfs/dbraw/zinc/41/29/80/1349412980.db2.gz ONBJJRXFYHMWHI-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCc1nn(C[C@H]2CCC[C@@H](C)C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929535 1349415737 /nfs/dbraw/zinc/41/57/37/1349415737.db2.gz BNGOHIZJOPOBTG-NEPJUHHUSA-N -1 1 330.436 2.375 20 0 EEADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1Cl ZINC001591289939 1349456084 /nfs/dbraw/zinc/45/60/84/1349456084.db2.gz DTRBERRQINPWDZ-UHFFFAOYSA-N -1 1 347.718 2.152 20 0 EEADMM COC(=O)c1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001591301301 1349457773 /nfs/dbraw/zinc/45/77/73/1349457773.db2.gz DUKHUQYSUXJHCY-UHFFFAOYSA-N -1 1 341.396 2.482 20 0 EEADMM COC(=O)c1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001591301301 1349457778 /nfs/dbraw/zinc/45/77/78/1349457778.db2.gz DUKHUQYSUXJHCY-UHFFFAOYSA-N -1 1 341.396 2.482 20 0 EEADMM COc1ccc(OC)c(CNc2ccc(C)c(-c3nnn[n-]3)n2)c1 ZINC001591620314 1349517280 /nfs/dbraw/zinc/51/72/80/1349517280.db2.gz MKCHWPDMSHLCOZ-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1ccc(OC)c(CNc2ccc(C)c(-c3nn[n-]n3)n2)c1 ZINC001591620314 1349517285 /nfs/dbraw/zinc/51/72/85/1349517285.db2.gz MKCHWPDMSHLCOZ-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1ccccc1OCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001591653102 1349526094 /nfs/dbraw/zinc/52/60/94/1349526094.db2.gz WAOUKRWOZKYFOB-UHFFFAOYSA-N -1 1 346.416 2.155 20 0 EEADMM Cc1cc(Br)oc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001591906045 1349554771 /nfs/dbraw/zinc/55/47/71/1349554771.db2.gz SITOPAVCKGOWEY-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1cc(Br)oc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001591906045 1349554783 /nfs/dbraw/zinc/55/47/83/1349554783.db2.gz SITOPAVCKGOWEY-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001592173337 1349601432 /nfs/dbraw/zinc/60/14/32/1349601432.db2.gz LOGWCFMXISCCQX-UHFFFAOYSA-N -1 1 333.348 2.115 20 0 EEADMM Cc1cccc(Cn2ccc(-c3nn[n-]n3)cc2=O)c1Br ZINC001592232170 1349613278 /nfs/dbraw/zinc/61/32/78/1349613278.db2.gz LNNNYENYEDZDBH-UHFFFAOYSA-N -1 1 346.188 2.148 20 0 EEADMM Cc1ccn(-c2ccccc2NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001592264495 1349613906 /nfs/dbraw/zinc/61/39/06/1349613906.db2.gz UBTLDRMSBXXPAX-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1ccn(-c2ccccc2NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001592264495 1349613912 /nfs/dbraw/zinc/61/39/12/1349613912.db2.gz UBTLDRMSBXXPAX-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Cc1nsc(N(C)C(=O)CCc2ccccc2F)c1-c1nnn[n-]1 ZINC001592468763 1349634515 /nfs/dbraw/zinc/63/45/15/1349634515.db2.gz QWBCJFJNCTYFLX-UHFFFAOYSA-N -1 1 346.391 2.366 20 0 EEADMM Cc1nsc(N(C)C(=O)CCc2ccccc2F)c1-c1nn[n-]n1 ZINC001592468763 1349634517 /nfs/dbraw/zinc/63/45/17/1349634517.db2.gz QWBCJFJNCTYFLX-UHFFFAOYSA-N -1 1 346.391 2.366 20 0 EEADMM Cc1nsc(NC(=O)C2(c3ccccc3F)CC2)c1-c1nnn[n-]1 ZINC001592480126 1349635719 /nfs/dbraw/zinc/63/57/19/1349635719.db2.gz UGHVJGKGYUTXRN-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1nsc(NC(=O)C2(c3ccccc3F)CC2)c1-c1nn[n-]n1 ZINC001592480126 1349635725 /nfs/dbraw/zinc/63/57/25/1349635725.db2.gz UGHVJGKGYUTXRN-UHFFFAOYSA-N -1 1 344.375 2.441 20 0 EEADMM Cc1nsc(NCC(F)(F)C2(O)CCCCC2)c1-c1nn[n-]n1 ZINC001592486322 1349636803 /nfs/dbraw/zinc/63/68/03/1349636803.db2.gz BWWYHIIOISIEOJ-UHFFFAOYSA-N -1 1 344.391 2.374 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCOc2ccccc21 ZINC001592503724 1349640165 /nfs/dbraw/zinc/64/01/65/1349640165.db2.gz LHDQKDUOOXMRPB-NSHDSACASA-N -1 1 340.339 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCOc2ccccc21 ZINC001592503724 1349640167 /nfs/dbraw/zinc/64/01/67/1349640167.db2.gz LHDQKDUOOXMRPB-NSHDSACASA-N -1 1 340.339 2.491 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cccnc1OC(C)C ZINC001592503600 1349640515 /nfs/dbraw/zinc/64/05/15/1349640515.db2.gz UKVDQNWGEHRCLL-UHFFFAOYSA-N -1 1 328.332 2.203 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cccnc1OC(C)C ZINC001592503600 1349640519 /nfs/dbraw/zinc/64/05/19/1349640519.db2.gz UKVDQNWGEHRCLL-UHFFFAOYSA-N -1 1 328.332 2.203 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001592528007 1349647735 /nfs/dbraw/zinc/64/77/35/1349647735.db2.gz PIZJYQMYPYDIED-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1ccc([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001592528007 1349647740 /nfs/dbraw/zinc/64/77/40/1349647740.db2.gz PIZJYQMYPYDIED-LLVKDONJSA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001592534154 1349650435 /nfs/dbraw/zinc/65/04/35/1349650435.db2.gz DDONUYVLOKFEFP-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1cccc([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001592534154 1349650436 /nfs/dbraw/zinc/65/04/36/1349650436.db2.gz DDONUYVLOKFEFP-NSHDSACASA-N -1 1 327.779 2.304 20 0 EEADMM Clc1sc(N2CC(CC3CCOCC3)C2)nc1-c1nn[n-]n1 ZINC001592541740 1349654301 /nfs/dbraw/zinc/65/43/01/1349654301.db2.gz MJIRHAPTRINXBP-UHFFFAOYSA-N -1 1 340.840 2.230 20 0 EEADMM Fc1ccc([C@@H]2OCC[C@H]2Nc2cccc(-c3nnn[n-]3)n2)cc1F ZINC001592653095 1349698745 /nfs/dbraw/zinc/69/87/45/1349698745.db2.gz JTMIYBGWMAAKMX-DOMZBBRYSA-N -1 1 344.325 2.482 20 0 EEADMM Fc1ccc([C@@H]2OCC[C@H]2Nc2cccc(-c3nn[n-]n3)n2)cc1F ZINC001592653095 1349698751 /nfs/dbraw/zinc/69/87/51/1349698751.db2.gz JTMIYBGWMAAKMX-DOMZBBRYSA-N -1 1 344.325 2.482 20 0 EEADMM Fc1ccccc1C=C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001592659122 1349703043 /nfs/dbraw/zinc/70/30/43/1349703043.db2.gz SABUVYBDTZYNKR-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM Fc1ccccc1C=C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001592659122 1349703044 /nfs/dbraw/zinc/70/30/44/1349703044.db2.gz SABUVYBDTZYNKR-UHFFFAOYSA-N -1 1 337.362 2.480 20 0 EEADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)o1)c1cc2ccccc2o1 ZINC001592881555 1349722473 /nfs/dbraw/zinc/72/24/73/1349722473.db2.gz ASZOUOVBQDJDPI-UHFFFAOYSA-N -1 1 338.279 2.246 20 0 EEADMM O=C(NCCCOc1ccc(F)cc1)c1csc(-c2nn[n-]n2)c1 ZINC001593078682 1349737727 /nfs/dbraw/zinc/73/77/27/1349737727.db2.gz PMTNTPNYDYAXDY-UHFFFAOYSA-N -1 1 347.375 2.266 20 0 EEADMM O=C(Nc1ccccc1OC(F)F)c1ccnc(-c2nnn[n-]2)c1 ZINC001593253504 1349750399 /nfs/dbraw/zinc/75/03/99/1349750399.db2.gz SGRKUOFXSIJNTJ-UHFFFAOYSA-N -1 1 332.270 2.115 20 0 EEADMM O=C(Nc1ccccc1OC(F)F)c1ccnc(-c2nn[n-]n2)c1 ZINC001593253504 1349750400 /nfs/dbraw/zinc/75/04/00/1349750400.db2.gz SGRKUOFXSIJNTJ-UHFFFAOYSA-N -1 1 332.270 2.115 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1cccc(-c2nnn[n-]2)n1 ZINC001593257271 1349753235 /nfs/dbraw/zinc/75/32/35/1349753235.db2.gz UWHDJMSQZLIHDL-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(Nc1ccnn1C1CCCCC1)c1cccc(-c2nn[n-]n2)n1 ZINC001593257271 1349753252 /nfs/dbraw/zinc/75/32/52/1349753252.db2.gz UWHDJMSQZLIHDL-UHFFFAOYSA-N -1 1 338.375 2.216 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001593337997 1349783422 /nfs/dbraw/zinc/78/34/22/1349783422.db2.gz DILODCAVUPLDIN-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001593337997 1349783427 /nfs/dbraw/zinc/78/34/27/1349783427.db2.gz DILODCAVUPLDIN-RYUDHWBXSA-N -1 1 347.444 2.207 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC001593368212 1349792265 /nfs/dbraw/zinc/79/22/65/1349792265.db2.gz WNHCUEWIBRZIAX-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC001593368212 1349792267 /nfs/dbraw/zinc/79/22/67/1349792267.db2.gz WNHCUEWIBRZIAX-UHFFFAOYSA-N -1 1 327.319 2.404 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001593518927 1349829123 /nfs/dbraw/zinc/82/91/23/1349829123.db2.gz GTWDRMNOFKCYCN-YUSALJHKSA-N -1 1 334.811 2.045 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001593518927 1349829126 /nfs/dbraw/zinc/82/91/26/1349829126.db2.gz GTWDRMNOFKCYCN-YUSALJHKSA-N -1 1 334.811 2.045 20 0 EEADMM c1c(N[C@@H]2CCCC23CCOCC3)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001593543300 1349838047 /nfs/dbraw/zinc/83/80/47/1349838047.db2.gz JMWNNSPMECQSIQ-CYBMUJFWSA-N -1 1 341.419 2.295 20 0 EEADMM c1c(N[C@@H]2CCCC23CCOCC3)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001593543300 1349838052 /nfs/dbraw/zinc/83/80/52/1349838052.db2.gz JMWNNSPMECQSIQ-CYBMUJFWSA-N -1 1 341.419 2.295 20 0 EEADMM c1sc(CNc2ccnc(-c3ccccc3)n2)nc1-c1nnn[n-]1 ZINC001593567883 1349853862 /nfs/dbraw/zinc/85/38/62/1349853862.db2.gz XZIQFFMRFKPLFJ-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1sc(CNc2ccnc(-c3ccccc3)n2)nc1-c1nn[n-]n1 ZINC001593567883 1349853864 /nfs/dbraw/zinc/85/38/64/1349853864.db2.gz XZIQFFMRFKPLFJ-UHFFFAOYSA-N -1 1 336.384 2.392 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cncc(-c4nnn[n-]4)n3)CC1)O2 ZINC001593581942 1349863674 /nfs/dbraw/zinc/86/36/74/1349863674.db2.gz YVXMDGFEJMDIBR-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM c1ccc2c(c1)CCC1(CCN(c3cncc(-c4nn[n-]n4)n3)CC1)O2 ZINC001593581942 1349863677 /nfs/dbraw/zinc/86/36/77/1349863677.db2.gz YVXMDGFEJMDIBR-UHFFFAOYSA-N -1 1 349.398 2.021 20 0 EEADMM Cc1cc([C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C(=O)[O-])ccc1F ZINC001600146224 1349980059 /nfs/dbraw/zinc/98/00/59/1349980059.db2.gz MJNLCCHWPRFAFC-OBPXBXINSA-N -1 1 345.374 2.465 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC001600359131 1350029287 /nfs/dbraw/zinc/02/92/87/1350029287.db2.gz UJSCHXRIYKNRPK-DZGCQCFKSA-N -1 1 349.456 2.395 20 0 EEADMM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC001600372623 1350032875 /nfs/dbraw/zinc/03/28/75/1350032875.db2.gz HVVSOEAWPZSZDH-UKRRQHHQSA-N -1 1 327.384 2.155 20 0 EEADMM Cc1ccc(CN(C)[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC001600409598 1350043637 /nfs/dbraw/zinc/04/36/37/1350043637.db2.gz GAUKXNOSJQBXOM-HNNXBMFYSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)CC2 ZINC001600492047 1350065044 /nfs/dbraw/zinc/06/50/44/1350065044.db2.gz AEIYBURTNTXONK-PBHICJAKSA-N -1 1 345.443 2.173 20 0 EEADMM Cc1cccc(C2=CCN([C@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1 ZINC001600525144 1350073260 /nfs/dbraw/zinc/07/32/60/1350073260.db2.gz FSZCKWIIIBMPQM-KRWDZBQOSA-N -1 1 328.412 2.160 20 0 EEADMM Cc1cccc2[nH]cc(CC(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c21 ZINC001600555314 1350081526 /nfs/dbraw/zinc/08/15/26/1350081526.db2.gz PYPINEYYRNTBMT-CQSZACIVSA-N -1 1 343.427 2.026 20 0 EEADMM Cc1ccccc1CCN(C)CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001600578274 1350088029 /nfs/dbraw/zinc/08/80/29/1350088029.db2.gz AVALSGHMBOXNNT-UHFFFAOYSA-N -1 1 332.444 2.373 20 0 EEADMM Cc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)s1 ZINC001600623730 1350100365 /nfs/dbraw/zinc/10/03/65/1350100365.db2.gz PAFXJNPOOSFOOR-UHFFFAOYSA-N -1 1 330.362 2.398 20 0 EEADMM Cc1nc2scc(C3CC3)n2c1CN1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600731581 1350123644 /nfs/dbraw/zinc/12/36/44/1350123644.db2.gz XKOPKDVAMFLXTF-OAHLLOKOSA-N -1 1 349.456 2.239 20 0 EEADMM Cc1nn(C)c(Cl)c1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001600771987 1350132628 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20 0 EEADMM O=C([O-])c1c[nH]c(CNCC(=O)NCCc2ccccc2)c1C1CC1 ZINC001601327528 1350258212 /nfs/dbraw/zinc/25/82/12/1350258212.db2.gz PUKMEXMVBOYEAM-UHFFFAOYSA-N -1 1 341.411 2.039 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)Cc3[nH]nc4c3CCCC4)[nH]c21 ZINC001601375635 1350269700 /nfs/dbraw/zinc/26/97/00/1350269700.db2.gz UUVGFDCPKOZJSW-UHFFFAOYSA-N -1 1 339.355 2.044 20 0 EEADMM O=C([O-])c1cccc2[nH]c(NC(=O)Cc3n[nH]c4c3CCCC4)nc21 ZINC001601375635 1350269703 /nfs/dbraw/zinc/26/97/03/1350269703.db2.gz UUVGFDCPKOZJSW-UHFFFAOYSA-N -1 1 339.355 2.044 20 0 EEADMM O=C([O-])c1cccc(NC(=O)NC[C@H]2CCN2Cc2ccccc2)n1 ZINC001601486298 1350293911 /nfs/dbraw/zinc/29/39/11/1350293911.db2.gz MJVJRPGRPULFBH-CQSZACIVSA-N -1 1 340.383 2.176 20 0 EEADMM O=C([O-])[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1OC(F)(F)F ZINC001601671468 1350334367 /nfs/dbraw/zinc/33/43/67/1350334367.db2.gz XFEYXWGVQKBQMR-IUCAKERBSA-N -1 1 347.211 2.224 20 0 EEADMM O=C([O-])[C@H](c1ccccc1Cl)N1CCN(CCCCCO)CC1 ZINC001601695766 1350340425 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ZINC001604447053 1350939742 /nfs/dbraw/zinc/93/97/42/1350939742.db2.gz BLMDTQZAHIUXQB-UHFFFAOYSA-N -1 1 338.371 2.150 20 0 EEADMM CC1(C)C(=O)N(CN2CCCC[C@H]2CC(=O)[O-])[C@H]1c1ccncc1 ZINC001604505712 1350950593 /nfs/dbraw/zinc/95/05/93/1350950593.db2.gz HJHLCZIWVVWSFL-HOCLYGCPSA-N -1 1 331.416 2.278 20 0 EEADMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2-c2nn[nH]n2)n1 ZINC001604511069 1350952364 /nfs/dbraw/zinc/95/23/64/1350952364.db2.gz QJRZGKFZYYOVOY-UHFFFAOYSA-N -1 1 332.364 2.356 20 0 EEADMM CCc1ccc([C@@H]2CN(c3cccnc3-c3nnn[n-]3)CCO2)cc1 ZINC001604523948 1350954776 /nfs/dbraw/zinc/95/47/76/1350954776.db2.gz QIEPCVPZGGDAFR-INIZCTEOSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1ccc([C@@H]2CN(c3cccnc3-c3nn[n-]n3)CCO2)cc1 ZINC001604523948 1350954777 /nfs/dbraw/zinc/95/47/77/1350954777.db2.gz QIEPCVPZGGDAFR-INIZCTEOSA-N -1 1 336.399 2.402 20 0 EEADMM CCc1nc(NC[C@@H](C)Oc2ccccc2C)cc(-c2nnn[n-]2)n1 ZINC001604563027 1350961647 /nfs/dbraw/zinc/96/16/47/1350961647.db2.gz DZRCGFRVAUYCEF-GFCCVEGCSA-N -1 1 339.403 2.407 20 0 EEADMM CCc1nc(NC[C@@H](C)Oc2ccccc2C)cc(-c2nn[n-]n2)n1 ZINC001604563027 1350961651 /nfs/dbraw/zinc/96/16/51/1350961651.db2.gz DZRCGFRVAUYCEF-GFCCVEGCSA-N -1 1 339.403 2.407 20 0 EEADMM CC1(CN2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])COC1 ZINC001604575881 1350963212 /nfs/dbraw/zinc/96/32/12/1350963212.db2.gz RUCJUJTWSUKWBQ-CYBMUJFWSA-N -1 1 340.217 2.297 20 0 EEADMM C[C@]1(O)CCCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001604594971 1350966896 /nfs/dbraw/zinc/96/68/96/1350966896.db2.gz BIKAVJXKIADOCV-SFHVURJKSA-N -1 1 330.384 2.286 20 0 EEADMM C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001604766788 1350999172 /nfs/dbraw/zinc/99/91/72/1350999172.db2.gz MLDNDHPZMLWVCO-UHNFBRDESA-N -1 1 345.374 2.027 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC001604791501 1351005201 /nfs/dbraw/zinc/00/52/01/1351005201.db2.gz YCPIZGGVKKDGGG-MLGOLLRUSA-N -1 1 349.406 2.003 20 0 EEADMM C[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cccc2[nH]c(=O)oc21 ZINC001604801087 1351008118 /nfs/dbraw/zinc/00/81/18/1351008118.db2.gz ISXAKDGRHMIAHA-UHFFFAOYSA-N -1 1 342.384 2.407 20 0 EEADMM C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1cccc2[nH]c(=O)oc21 ZINC001604801087 1351008121 /nfs/dbraw/zinc/00/81/21/1351008121.db2.gz ISXAKDGRHMIAHA-UHFFFAOYSA-N -1 1 342.384 2.407 20 0 EEADMM C[C@H]1CN(Cc2oncc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC001604802771 1351009076 /nfs/dbraw/zinc/00/90/76/1351009076.db2.gz NDLCWTJOCGVICY-JQWIXIFHSA-N -1 1 339.392 2.108 20 0 EEADMM CNC(=O)c1cccc(NCc2csc(-c3nn[n-]n3)c2)c1C ZINC001604891040 1351026075 /nfs/dbraw/zinc/02/60/75/1351026075.db2.gz KXHDRTIBBPWJOI-UHFFFAOYSA-N -1 1 328.401 2.208 20 0 EEADMM COCC[C@H](Cc1ccco1)Nc1nc(-c2nn[n-]n2)ccc1C ZINC001605078947 1351073790 /nfs/dbraw/zinc/07/37/90/1351073790.db2.gz HTMASTSHQXYGHB-GFCCVEGCSA-N -1 1 328.376 2.223 20 0 EEADMM CC[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1nnc2n1CCCCC2 ZINC001605095410 1351077357 /nfs/dbraw/zinc/07/73/57/1351077357.db2.gz FSFLOSHSPQREFC-JFGNBEQYSA-N -1 1 328.363 2.011 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cc(-c2nnn[n-]2)ncn1 ZINC001605201650 1351102095 /nfs/dbraw/zinc/10/20/95/1351102095.db2.gz AKWMFIBWILDASM-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1cc(C(C)=O)ccc1Sc1cc(-c2nn[n-]n2)ncn1 ZINC001605201650 1351102096 /nfs/dbraw/zinc/10/20/96/1351102096.db2.gz AKWMFIBWILDASM-UHFFFAOYSA-N -1 1 328.357 2.019 20 0 EEADMM COc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC001605238285 1351113015 /nfs/dbraw/zinc/11/30/15/1351113015.db2.gz GGASLVSPXOHTFX-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC001605238285 1351113019 /nfs/dbraw/zinc/11/30/19/1351113019.db2.gz GGASLVSPXOHTFX-UHFFFAOYSA-N -1 1 349.148 2.220 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605290484 1351126565 /nfs/dbraw/zinc/12/65/65/1351126565.db2.gz ATHGTQVCUNGXDL-SECBINFHSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ccc(F)cc1[C@@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605290484 1351126566 /nfs/dbraw/zinc/12/65/66/1351126566.db2.gz ATHGTQVCUNGXDL-SECBINFHSA-N -1 1 329.339 2.286 20 0 EEADMM COc1ncc(NC(=O)NC23CCC(CC2)CC3)cc1-c1nn[n-]n1 ZINC001605346393 1351142122 /nfs/dbraw/zinc/14/21/22/1351142122.db2.gz AXFWSGNERIHOEN-UHFFFAOYSA-N -1 1 343.391 2.115 20 0 EEADMM CSCc1ccccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC001605376914 1351147985 /nfs/dbraw/zinc/14/79/85/1351147985.db2.gz UZKBFFNRPAFDAO-UHFFFAOYSA-N -1 1 344.400 2.207 20 0 EEADMM CSCc1ccccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC001605376914 1351147988 /nfs/dbraw/zinc/14/79/88/1351147988.db2.gz UZKBFFNRPAFDAO-UHFFFAOYSA-N -1 1 344.400 2.207 20 0 EEADMM CCCc1nc(C)cc(OCc2nc(CCOC)no2)c1C(=O)[O-] ZINC001605378718 1351149056 /nfs/dbraw/zinc/14/90/56/1351149056.db2.gz HQIKHARIRABFON-UHFFFAOYSA-N -1 1 335.360 2.192 20 0 EEADMM CCN1CC[C@@H]1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001605473952 1351165835 /nfs/dbraw/zinc/16/58/35/1351165835.db2.gz CBMVMVNTBPFLLK-CQSZACIVSA-N -1 1 337.445 2.220 20 0 EEADMM Cc1nn(-c2ccccc2)cc1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001605585550 1351195170 /nfs/dbraw/zinc/19/51/70/1351195170.db2.gz TVKODQXIKBKPCK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1nn(-c2ccccc2)cc1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001605585550 1351195175 /nfs/dbraw/zinc/19/51/75/1351195175.db2.gz TVKODQXIKBKPCK-UHFFFAOYSA-N -1 1 333.359 2.203 20 0 EEADMM Cc1cc(C)c(C)c(C(=O)COc2cnc(-c3nn[n-]n3)nc2)c1C ZINC001605640372 1351208260 /nfs/dbraw/zinc/20/82/60/1351208260.db2.gz BVXFYPDJLDOGAO-UHFFFAOYSA-N -1 1 338.371 2.152 20 0 EEADMM Cc1cc(NC[C@H](O)Cc2cccc(Cl)c2)nc(-c2nnn[n-]2)c1 ZINC001605728334 1351218887 /nfs/dbraw/zinc/21/88/87/1351218887.db2.gz GQFGECWOHJLRCB-CYBMUJFWSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1cc(NC[C@H](O)Cc2cccc(Cl)c2)nc(-c2nn[n-]n2)c1 ZINC001605728334 1351218888 /nfs/dbraw/zinc/21/88/88/1351218888.db2.gz GQFGECWOHJLRCB-CYBMUJFWSA-N -1 1 344.806 2.239 20 0 EEADMM Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)nc(-c2nnn[n-]2)c1 ZINC001605725031 1351218919 /nfs/dbraw/zinc/21/89/19/1351218919.db2.gz SWUHCJJENZGUOG-UHFFFAOYSA-N -1 1 343.435 2.019 20 0 EEADMM Cc1cc(NC2CCN(C(=O)CC(C)C)CC2)nc(-c2nn[n-]n2)c1 ZINC001605725031 1351218921 /nfs/dbraw/zinc/21/89/21/1351218921.db2.gz SWUHCJJENZGUOG-UHFFFAOYSA-N -1 1 343.435 2.019 20 0 EEADMM CCc1cc(CNC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)[nH]n1 ZINC001605798264 1351224994 /nfs/dbraw/zinc/22/49/94/1351224994.db2.gz KONCHAHSPCWEEY-UHFFFAOYSA-N -1 1 337.405 2.113 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(C)c2Cl)c1-c1nnn[n-]1 ZINC001605823912 1351229226 /nfs/dbraw/zinc/22/92/26/1351229226.db2.gz TVMWIAILMIWJIQ-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C)c(C)c2Cl)c1-c1nn[n-]n1 ZINC001605823912 1351229228 /nfs/dbraw/zinc/22/92/28/1351229228.db2.gz TVMWIAILMIWJIQ-UHFFFAOYSA-N -1 1 345.794 2.431 20 0 EEADMM Cc1ccc(C)c(CC(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001605829966 1351230965 /nfs/dbraw/zinc/23/09/65/1351230965.db2.gz SFMCTFWGFFGWSC-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1ccc(C)c(CC(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001605829966 1351230968 /nfs/dbraw/zinc/23/09/68/1351230968.db2.gz SFMCTFWGFFGWSC-UHFFFAOYSA-N -1 1 348.410 2.400 20 0 EEADMM Cc1ccccc1C(F)(F)CNC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001605934258 1351256282 /nfs/dbraw/zinc/25/62/82/1351256282.db2.gz CZROILNYMQYTOY-UHFFFAOYSA-N -1 1 344.325 2.092 20 0 EEADMM Cc1ccccc1C(F)(F)CNC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001605934258 1351256284 /nfs/dbraw/zinc/25/62/84/1351256284.db2.gz CZROILNYMQYTOY-UHFFFAOYSA-N -1 1 344.325 2.092 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001606129046 1351276061 /nfs/dbraw/zinc/27/60/61/1351276061.db2.gz AKCYVTGIISZIEF-VIFPVBQESA-N -1 1 341.375 2.023 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001606129046 1351276064 /nfs/dbraw/zinc/27/60/64/1351276064.db2.gz AKCYVTGIISZIEF-VIFPVBQESA-N -1 1 341.375 2.023 20 0 EEADMM Cc1nsc(N[C@@H]2COc3cc(F)ccc3C2)c1-c1nn[n-]n1 ZINC001606155930 1351279417 /nfs/dbraw/zinc/27/94/17/1351279417.db2.gz LJXVHMGLMVLUHM-JTQLQIEISA-N -1 1 332.364 2.186 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc(-c2cn(C)nc2C(C)C)no1 ZINC001606165567 1351280261 /nfs/dbraw/zinc/28/02/61/1351280261.db2.gz ZFBBRVIWBKHZJV-UHFFFAOYSA-N -1 1 340.347 2.342 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc(-c2cn(C)nc2C(C)C)no1 ZINC001606165567 1351280265 /nfs/dbraw/zinc/28/02/65/1351280265.db2.gz ZFBBRVIWBKHZJV-UHFFFAOYSA-N -1 1 340.347 2.342 20 0 EEADMM Clc1sc(N2CC[C@@H]3CSC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001606201283 1351284536 /nfs/dbraw/zinc/28/45/36/1351284536.db2.gz ZGCILJCWRSNGHV-RNFRBKRXSA-N -1 1 328.854 2.166 20 0 EEADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001606446001 1351303232 /nfs/dbraw/zinc/30/32/32/1351303232.db2.gz AZNQZRJJKMNVSM-UHFFFAOYSA-N -1 1 345.366 2.195 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001606845290 1351365565 /nfs/dbraw/zinc/36/55/65/1351365565.db2.gz VNFZKZQBFNOYNK-MNOVXSKESA-N -1 1 332.433 2.156 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001606845290 1351365569 /nfs/dbraw/zinc/36/55/69/1351365569.db2.gz VNFZKZQBFNOYNK-MNOVXSKESA-N -1 1 332.433 2.156 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnc(CC2CC2)s1 ZINC001606897822 1351371767 /nfs/dbraw/zinc/37/17/67/1351371767.db2.gz UEBDXQKGERBZLR-UHFFFAOYSA-N -1 1 342.384 2.234 20 0 EEADMM O=C(OC[C@@H]1CCO[C@H]1c1ccccc1)c1coc(-c2nnn[n-]2)c1 ZINC001606968274 1351386921 /nfs/dbraw/zinc/38/69/21/1351386921.db2.gz WYTAZBXZUJMZLP-WFASDCNBSA-N -1 1 340.339 2.394 20 0 EEADMM O=C(OC[C@@H]1CCO[C@H]1c1ccccc1)c1coc(-c2nn[n-]n2)c1 ZINC001606968274 1351386926 /nfs/dbraw/zinc/38/69/26/1351386926.db2.gz WYTAZBXZUJMZLP-WFASDCNBSA-N -1 1 340.339 2.394 20 0 EEADMM OC[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1 ZINC001607103982 1351419572 /nfs/dbraw/zinc/41/95/72/1351419572.db2.gz FHKGDQWQGZPJOR-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM OC[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1 ZINC001607103982 1351419576 /nfs/dbraw/zinc/41/95/76/1351419576.db2.gz FHKGDQWQGZPJOR-WPRPVWTQSA-N -1 1 342.325 2.244 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@@H]2CCOC2)nc(C2CC2)nc1-c1nnn[n-]1 ZINC001607114370 1351424245 /nfs/dbraw/zinc/42/42/45/1351424245.db2.gz IMDYSHBDHNODAT-DOMZBBRYSA-N -1 1 341.419 2.151 20 0 EEADMM c1c(N[C@@H](C2CCC2)[C@@H]2CCOC2)nc(C2CC2)nc1-c1nn[n-]n1 ZINC001607114370 1351424246 /nfs/dbraw/zinc/42/42/46/1351424246.db2.gz IMDYSHBDHNODAT-DOMZBBRYSA-N -1 1 341.419 2.151 20 0 EEADMM c1ccc(COc2cccc(Nc3ccnc(-c4nnn[n-]4)c3)c2)nc1 ZINC001607129522 1351431091 /nfs/dbraw/zinc/43/10/91/1351431091.db2.gz WZMFLKYBPUZOMZ-UHFFFAOYSA-N -1 1 345.366 2.401 20 0 EEADMM c1ccc(COc2cccc(Nc3ccnc(-c4nn[n-]n4)c3)c2)nc1 ZINC001607129522 1351431093 /nfs/dbraw/zinc/43/10/93/1351431093.db2.gz WZMFLKYBPUZOMZ-UHFFFAOYSA-N -1 1 345.366 2.401 20 0 EEADMM c1csc([C@H]2CSCCN2Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001607136327 1351435303 /nfs/dbraw/zinc/43/53/03/1351435303.db2.gz CXKKFBDVGAOOTC-SNVBAGLBSA-N -1 1 334.430 2.206 20 0 EEADMM c1csc([C@H]2CSCCN2Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001607136327 1351435305 /nfs/dbraw/zinc/43/53/05/1351435305.db2.gz CXKKFBDVGAOOTC-SNVBAGLBSA-N -1 1 334.430 2.206 20 0 EEADMM COc1cc2c(cc1F)nccc2N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC001607191667 1351446023 /nfs/dbraw/zinc/44/60/23/1351446023.db2.gz PHZDPYLKNGDQIW-KRWDZBQOSA-N -1 1 345.330 2.192 20 0 EEADMM COc1ccc([C@@H](NCc2cnc3ccc(C)cn23)C(=O)[O-])cc1O ZINC001607233946 1351455477 /nfs/dbraw/zinc/45/54/77/1351455477.db2.gz FEIQIQVJZGESIZ-QGZVFWFLSA-N -1 1 341.367 2.272 20 0 EEADMM COc1cccc([C@@H](N)C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001607313679 1351471654 /nfs/dbraw/zinc/47/16/54/1351471654.db2.gz QVSQKEVRTCQQSI-GDBMZVCRSA-N -1 1 334.416 2.092 20 0 EEADMM COc1nsc(CN[C@@H](CC(F)F)C(=O)[O-])c1Br ZINC001607364054 1351482844 /nfs/dbraw/zinc/48/28/44/1351482844.db2.gz LFDXLUGMGTZBRX-BYPYZUCNSA-N -1 1 345.165 2.112 20 0 EEADMM CN1C(=O)Cc2cc(CNC(=O)c3ncc4ccccc4c3[O-])ccc21 ZINC001607372025 1351484214 /nfs/dbraw/zinc/48/42/14/1351484214.db2.gz NAUNMCALGGRSKQ-UHFFFAOYSA-N -1 1 347.374 2.389 20 0 EEADMM C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001607479741 1351500191 /nfs/dbraw/zinc/50/01/91/1351500191.db2.gz YYOPVYHARXFBEC-XHDPSFHLSA-N -1 1 349.408 2.168 20 0 EEADMM Cc1c(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)ccc2cncn21 ZINC001607505978 1351507356 /nfs/dbraw/zinc/50/73/56/1351507356.db2.gz CBVPWPVQHKAMFV-QMMMGPOBSA-N -1 1 330.369 2.288 20 0 EEADMM Cc1ccc(CN(C(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)C2CC2)o1 ZINC001607775614 1351555786 /nfs/dbraw/zinc/55/57/86/1351555786.db2.gz DVNXXZCGEDRFAS-TZMCWYRMSA-N -1 1 334.416 2.264 20 0 EEADMM Cc1ccc2c(cnn2CN2CCS[C@H]3COCC[C@@H]32)c1C(=O)[O-] ZINC001607834226 1351568019 /nfs/dbraw/zinc/56/80/19/1351568019.db2.gz UAQKNDDZPVDUBA-GJZGRUSLSA-N -1 1 347.440 2.207 20 0 EEADMM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC001607917556 1351585863 /nfs/dbraw/zinc/58/58/63/1351585863.db2.gz MNNNAVILVZPBSJ-RDTXWAMCSA-N -1 1 342.395 2.390 20 0 EEADMM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)N[C@@H]1CCCn2nccc21 ZINC001607925684 1351586792 /nfs/dbraw/zinc/58/67/92/1351586792.db2.gz OLWXFWCTSKJSAS-WDEREUQCSA-N -1 1 348.428 2.403 20 0 EEADMM Cn1c(=O)oc2cc(CN3CCc4ccc(C(=O)[O-])cc4C3)ccc21 ZINC001608077239 1351620336 /nfs/dbraw/zinc/62/03/36/1351620336.db2.gz KTMRVTZJRYOVIF-UHFFFAOYSA-N -1 1 338.363 2.388 20 0 EEADMM Cn1nccc1[C@@H](O)C1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC001608164548 1351638815 /nfs/dbraw/zinc/63/88/15/1351638815.db2.gz NANUIHQQQHEULI-HNNXBMFYSA-N -1 1 335.429 2.125 20 0 EEADMM Cn1nccc1[C@H](O)C1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001608164561 1351639136 /nfs/dbraw/zinc/63/91/36/1351639136.db2.gz NBZQPIIPGQWFKY-QGZVFWFLSA-N -1 1 347.390 2.203 20 0 EEADMM O=C(CSc1nnnn1Cc1cccs1)c1ccc([O-])cc1O ZINC000029744158 1352376820 /nfs/dbraw/zinc/37/68/20/1352376820.db2.gz ZVCVQRLDBBBJFX-UHFFFAOYSA-N -1 1 348.409 2.169 20 0 EEADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cccn2nnnc12 ZINC001629270788 1352550272 /nfs/dbraw/zinc/55/02/72/1352550272.db2.gz ZDMMUSRRPZTGGJ-UHFFFAOYSA-N -1 1 341.331 2.034 20 0 EEADMM 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/nfs/dbraw/zinc/11/81/28/1396118128.db2.gz QKTBFNBVXQJGNL-NSHDSACASA-N -1 1 345.374 2.037 20 0 EEADMM Cc1nocc1C[NH2+]C[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001423592789 1400665058 /nfs/dbraw/zinc/66/50/58/1400665058.db2.gz AXYJGCINILNHFB-CQSZACIVSA-N -1 1 332.404 2.018 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)CC1CCCC1 ZINC001426304138 1402032784 /nfs/dbraw/zinc/03/27/84/1402032784.db2.gz XAYXZUVJRZVNCX-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM CCCC[C@H](C(=O)N[C@@H](C)CNC(=O)c1ncccc1[O-])C(C)C ZINC001428598505 1402763647 /nfs/dbraw/zinc/76/36/47/1402763647.db2.gz KJQMJJQKJCEPBV-KBPBESRZSA-N -1 1 335.448 2.484 20 0 EEADMM Cc1sccc1C(=O)N[C@H](C)CCNC(=O)c1ncccc1[O-] ZINC001429015415 1402874752 /nfs/dbraw/zinc/87/47/52/1402874752.db2.gz UMUACZAZIUQJOC-SNVBAGLBSA-N -1 1 333.413 2.096 20 0 EEADMM C[C@@H](CNC(=O)C1CCCCCCC1)NC(=O)c1ncccc1[O-] ZINC001431798335 1403129552 /nfs/dbraw/zinc/12/95/52/1403129552.db2.gz VQEQRMNZOUKTRC-ZDUSSCGKSA-N -1 1 333.432 2.382 20 0 EEADMM CCOCc1nc(C)c(C(=O)[N-]c2nc(COC)ns2)s1 ZINC001433447155 1403398379 /nfs/dbraw/zinc/39/83/79/1403398379.db2.gz OJUGICWHUMCCEO-UHFFFAOYSA-N -1 1 328.419 2.238 20 0 EEADMM Cc1noc([C@@H]2CCCCN2C(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001433968498 1403451055 /nfs/dbraw/zinc/45/10/55/1403451055.db2.gz JKKQMLBQPOVWRD-LBPRGKRZSA-N -1 1 329.360 2.118 20 0 EEADMM CCCCC(=O)N[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001577426116 1403649779 /nfs/dbraw/zinc/64/97/79/1403649779.db2.gz HKPWAQZGBYJTFH-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCN(C)c1nnc(C2CC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001577512433 1403660376 /nfs/dbraw/zinc/66/03/76/1403660376.db2.gz NDSLRZXCGVBWPO-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CCCCN(C)c1nnc(C2CC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001577512433 1403660383 /nfs/dbraw/zinc/66/03/83/1403660383.db2.gz NDSLRZXCGVBWPO-UHFFFAOYSA-N -1 1 342.407 2.213 20 0 EEADMM CCCCNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001577514999 1403660781 /nfs/dbraw/zinc/66/07/81/1403660781.db2.gz ONZMPYFGTWKEOS-UHFFFAOYSA-N -1 1 337.430 2.160 20 0 EEADMM CCOc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1OC ZINC001578398145 1403746913 /nfs/dbraw/zinc/74/69/13/1403746913.db2.gz PRIQJUHSPQIEOX-UHFFFAOYSA-N -1 1 329.316 2.119 20 0 EEADMM CCOc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1OC ZINC001578398145 1403746917 /nfs/dbraw/zinc/74/69/17/1403746917.db2.gz PRIQJUHSPQIEOX-UHFFFAOYSA-N -1 1 329.316 2.119 20 0 EEADMM CN(CCOc1cccc(Cl)c1)C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001579229741 1403779771 /nfs/dbraw/zinc/77/97/71/1403779771.db2.gz BRPDDNFJRWUFCK-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM CN(CCOc1cccc(Cl)c1)C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001579229741 1403779776 /nfs/dbraw/zinc/77/97/76/1403779776.db2.gz BRPDDNFJRWUFCK-UHFFFAOYSA-N -1 1 347.762 2.264 20 0 EEADMM CCCCC1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001590582089 1403888051 /nfs/dbraw/zinc/88/80/51/1403888051.db2.gz HXKKLUDOMFBUNH-UHFFFAOYSA-N -1 1 339.396 2.007 20 0 EEADMM C[C@]12CN(C(=O)c3csc(-c4nn[n-]n4)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001591778463 1403945979 /nfs/dbraw/zinc/94/59/79/1403945979.db2.gz FAJAFUGPBYXRCW-HMECCHRJSA-N -1 1 327.413 2.212 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)C(F)(F)F)o1 ZINC001592138900 1404006541 /nfs/dbraw/zinc/00/65/41/1404006541.db2.gz ZZXIVEQXAACUQR-SNVBAGLBSA-N -1 1 341.249 2.395 20 0 EEADMM Cc1ccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)C(F)(F)F)o1 ZINC001592138900 1404006556 /nfs/dbraw/zinc/00/65/56/1404006556.db2.gz ZZXIVEQXAACUQR-SNVBAGLBSA-N -1 1 341.249 2.395 20 0 EEADMM Cc1ncsc1CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001592424763 1404032332 /nfs/dbraw/zinc/03/23/32/1404032332.db2.gz FNJUJQINAVTPCW-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1ncsc1CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001592424763 1404032352 /nfs/dbraw/zinc/03/23/52/1404032352.db2.gz FNJUJQINAVTPCW-UHFFFAOYSA-N -1 1 327.826 2.396 20 0 EEADMM Cc1nsc(Oc2ccc3c(c2)CCC(=O)N3)c1-c1nnn[n-]1 ZINC001592494488 1404702820 /nfs/dbraw/zinc/70/28/20/1404702820.db2.gz WIMPIRLSOHWIKG-UHFFFAOYSA-N -1 1 328.357 2.309 20 0 EEADMM Cc1nsc(Oc2ccc3c(c2)CCC(=O)N3)c1-c1nn[n-]n1 ZINC001592494488 1404702823 /nfs/dbraw/zinc/70/28/23/1404702823.db2.gz WIMPIRLSOHWIKG-UHFFFAOYSA-N -1 1 328.357 2.309 20 0 EEADMM Cc1[nH]nc(NC(=O)c2ccc(-c3ccccc3)n2C)c1-c1nn[n-]n1 ZINC001606014720 1404754749 /nfs/dbraw/zinc/75/47/49/1404754749.db2.gz OUJFNRGUOMCARR-UHFFFAOYSA-N -1 1 348.370 2.156 20 0 EEADMM CN(C)c1ncc(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n1C ZINC001606068684 1404761095 /nfs/dbraw/zinc/76/10/95/1404761095.db2.gz UNGAEEORUBVFRD-NSHDSACASA-N -1 1 349.460 2.020 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1snc(C)c1-c1nnn[n-]1 ZINC001606149370 1404769118 /nfs/dbraw/zinc/76/91/18/1404769118.db2.gz OEBUXWSMXDXZHU-LURJTMIESA-N -1 1 347.404 2.369 20 0 EEADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1snc(C)c1-c1nn[n-]n1 ZINC001606149370 1404769119 /nfs/dbraw/zinc/76/91/19/1404769119.db2.gz OEBUXWSMXDXZHU-LURJTMIESA-N -1 1 347.404 2.369 20 0 EEADMM Clc1ccc(NCCN2CCc3ccccc32)nc1-c1nnn[n-]1 ZINC001606193568 1404776531 /nfs/dbraw/zinc/77/65/31/1404776531.db2.gz 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ZINC001771918163 1409980274 /nfs/dbraw/zinc/98/02/74/1409980274.db2.gz IIPIBMRKATUJQQ-LLVKDONJSA-N -1 1 333.413 2.340 20 0 EEADMM Cc1n[nH]c(C(=O)NCCN[C@@H](C)c2cccc(Cl)c2F)c1[O-] ZINC001125734407 761197216 /nfs/dbraw/zinc/19/72/16/761197216.db2.gz OLDVLUJATOTDSB-QMMMGPOBSA-N -1 1 340.786 2.297 20 0 EEADMM CC(C)c1nccc(NC[C@H](C)N(C)C(=O)c2ncccc2[O-])n1 ZINC001104535990 761707824 /nfs/dbraw/zinc/70/78/24/761707824.db2.gz FNZLWPBKVGTVPF-LBPRGKRZSA-N -1 1 329.404 2.273 20 0 EEADMM COc1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000161251392 761812647 /nfs/dbraw/zinc/81/26/47/761812647.db2.gz IVBVZNZNCLBABL-UHFFFAOYSA-N -1 1 336.344 2.130 20 0 EEADMM Cc1cnc(C)nc1NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001125856632 764965188 /nfs/dbraw/zinc/96/51/88/764965188.db2.gz DJCCDBIBJLLUHQ-AWEZNQCLSA-N -1 1 343.431 2.451 20 0 EEADMM COC(=O)C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138315 782675416 /nfs/dbraw/zinc/67/54/16/782675416.db2.gz QAFVRDOXCSFWIS-RKDXNWHRSA-N -1 1 345.193 2.445 20 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XVVPKJGDBYISJU-UHFFFAOYSA-N -1 1 333.417 2.042 20 0 EEADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1[O-])C1CCCC1 ZINC000936966739 780617932 /nfs/dbraw/zinc/61/79/32/780617932.db2.gz DBBQIZIEHUTEII-SNPRPXQTSA-N -1 1 343.427 2.039 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc3ncccc3c2)c1 ZINC001211756802 780868399 /nfs/dbraw/zinc/86/83/99/780868399.db2.gz ZOYMIAFPEMRMCF-UHFFFAOYSA-N -1 1 344.392 2.428 20 0 EEADMM Cc1cc(C)nc(N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)n1 ZINC001063364481 790846598 /nfs/dbraw/zinc/84/65/98/790846598.db2.gz GAZCLFLFQPTWDH-HDJSIYSDSA-N -1 1 341.415 2.347 20 0 EEADMM CN(C)c1nc(NC(=O)c2nccc3ccccc32)c(N=O)c(=O)[n-]1 ZINC001149142295 781598274 /nfs/dbraw/zinc/59/82/74/781598274.db2.gz IATAGROIQHUKFK-UHFFFAOYSA-N -1 1 338.327 2.447 20 0 EEADMM CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000906865179 784219736 /nfs/dbraw/zinc/21/97/36/784219736.db2.gz ROKVMIRZNAIFGL-UHFFFAOYSA-N -1 1 342.461 2.012 20 0 EEADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000945502114 784222301 /nfs/dbraw/zinc/22/23/01/784222301.db2.gz RRBSBEARULKDGS-KBPBESRZSA-N -1 1 343.427 2.110 20 0 EEADMM Cc1oc2ccccc2c1CC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907479406 784686213 /nfs/dbraw/zinc/68/62/13/784686213.db2.gz KBAVYTAPLZEUQF-CYBMUJFWSA-N -1 1 343.412 2.114 20 0 EEADMM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000817356693 784694540 /nfs/dbraw/zinc/69/45/40/784694540.db2.gz SZHKWEHCIGFSAH-OAHLLOKOSA-N -1 1 349.456 2.297 20 0 EEADMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000817356692 784694736 /nfs/dbraw/zinc/69/47/36/784694736.db2.gz SZHKWEHCIGFSAH-HNNXBMFYSA-N -1 1 349.456 2.297 20 0 EEADMM CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(N)=O ZINC000907702621 784810867 /nfs/dbraw/zinc/81/08/67/784810867.db2.gz JDPIKGVSVVCNGF-NSHDSACASA-N -1 1 343.207 2.065 20 0 EEADMM O=C([O-])[C@]1(C(=O)N2CCC(c3cnc[nH]3)CC2)C[C@H]1c1ccccc1 ZINC000907818214 784885410 /nfs/dbraw/zinc/88/54/10/784885410.db2.gz CZOQZQCZEKIFOU-HNAYVOBHSA-N -1 1 339.395 2.374 20 0 EEADMM CN(C)c1ccccc1CN(C)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908241405 785261787 /nfs/dbraw/zinc/26/17/87/785261787.db2.gz JDCPQMFEXFOEHT-UHFFFAOYSA-N -1 1 326.400 2.398 20 0 EEADMM C[C@@H](O)c1ncc(C(=O)[N-]c2nnc(C3CCOCC3)s2)s1 ZINC000818958226 785344683 /nfs/dbraw/zinc/34/46/83/785344683.db2.gz VOCJKXOQWHXCLJ-SSDOTTSWSA-N -1 1 340.430 2.194 20 0 EEADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCCS1(=O)=O ZINC000908709381 785662834 /nfs/dbraw/zinc/66/28/34/785662834.db2.gz IOGPMXDIEXVTFV-JTQLQIEISA-N -1 1 348.218 2.061 20 0 EEADMM CCOC(=O)NCCC(=O)Nc1cccc([O-])c1Br ZINC000908715174 785666472 /nfs/dbraw/zinc/66/64/72/785666472.db2.gz PJVPAFUHUKXVKS-UHFFFAOYSA-N -1 1 331.166 2.229 20 0 EEADMM CC[C@H](C)N(CC(=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000908747271 785686958 /nfs/dbraw/zinc/68/69/58/785686958.db2.gz KCLBCBYJZHCRHK-KBPBESRZSA-N -1 1 337.420 2.311 20 0 EEADMM 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CCCO[N-]C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000844090475 788835532 /nfs/dbraw/zinc/83/55/32/788835532.db2.gz SUJBWTILZFIBIX-UHFFFAOYSA-N -1 1 333.356 2.220 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@@H]1CCCN1c1ccccc1 ZINC000913439170 788876690 /nfs/dbraw/zinc/87/66/90/788876690.db2.gz ZWYQMDKBEQOZFV-IRXDYDNUSA-N -1 1 348.410 2.074 20 0 EEADMM Cc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c(C2CC2)n1 ZINC000913439095 788876728 /nfs/dbraw/zinc/87/67/28/788876728.db2.gz YLNQPNODGIPEAB-MRXNPFEDSA-N -1 1 334.383 2.300 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CC(Nc2ccc(F)cc2)C1 ZINC000913492764 788926897 /nfs/dbraw/zinc/92/68/97/788926897.db2.gz ZBNCQIYWDSSVFJ-UHFFFAOYSA-N -1 1 348.403 2.288 20 0 EEADMM Cc1c2ccc(F)cc2sc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498666 788948799 /nfs/dbraw/zinc/94/87/99/788948799.db2.gz QAGXNLVUZFETDD-LLVKDONJSA-N -1 1 347.375 2.076 20 0 EEADMM Cc1nc(CC(=O)Nc2nc(Br)ccc2[O-])cs1 ZINC000156387872 789089649 /nfs/dbraw/zinc/08/96/49/789089649.db2.gz 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Cc1nccc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])n1 ZINC001063936501 791995614 /nfs/dbraw/zinc/99/56/14/791995614.db2.gz BVWGFFQHNRUDIN-TZMCWYRMSA-N -1 1 341.415 2.238 20 0 EEADMM O=C(NCc1nc2cc(F)ccc2[nH]1)c1cnc(C2CC2)[n-]c1=O ZINC001147959785 792088406 /nfs/dbraw/zinc/08/84/06/792088406.db2.gz KGXKKTDXHZDYFR-UHFFFAOYSA-N -1 1 327.319 2.005 20 0 EEADMM O=C(N[C@@H]1CCC[C@H]1CNc1ncncc1Cl)c1ncccc1[O-] ZINC001064093682 792335386 /nfs/dbraw/zinc/33/53/86/792335386.db2.gz LXGOWKCKBDFRRE-CMPLNLGQSA-N -1 1 347.806 2.241 20 0 EEADMM Cc1sccc1C(=O)NCC1CC(NC(=O)c2ncccc2[O-])C1 ZINC000992100603 792696254 /nfs/dbraw/zinc/69/62/54/792696254.db2.gz NQGWYUYKEMPGDA-UHFFFAOYSA-N -1 1 345.424 2.096 20 0 EEADMM CC(C)(C)N(C[C@@H](O)CO)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794869 792708491 /nfs/dbraw/zinc/70/84/91/792708491.db2.gz NLOSNOCXOKWWFM-SNVBAGLBSA-N -1 1 335.322 2.005 20 0 EEADMM CC[C@@H](C)[C@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001064229221 792714239 /nfs/dbraw/zinc/71/42/39/792714239.db2.gz OGVCNDMUWJBUJL-OLZOCXBDSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1cnc(C)nc1N[C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001089273689 793935223 /nfs/dbraw/zinc/93/52/23/793935223.db2.gz YWTTVANJCTUXJV-VXGBXAGGSA-N -1 1 329.404 2.203 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913743693 794206543 /nfs/dbraw/zinc/20/65/43/794206543.db2.gz HFHUPJZWBOZBNF-UHFFFAOYSA-N -1 1 327.432 2.446 20 0 EEADMM O=C(NC1CCN(C(=O)c2ncccc2[O-])CC1)[C@@H]1CCC[C@H](F)C1 ZINC000946533293 795527444 /nfs/dbraw/zinc/52/74/44/795527444.db2.gz QJMVDSFRATWREZ-OLZOCXBDSA-N -1 1 349.406 2.036 20 0 EEADMM CC1(C)C(C(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1(C)C ZINC000946533543 795529116 /nfs/dbraw/zinc/52/91/16/795529116.db2.gz XDEGVDMTDLTMGF-UHFFFAOYSA-N -1 1 345.443 2.190 20 0 EEADMM C[C@H]1CC[C@H](CC(=O)NC2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC000946538864 795678159 /nfs/dbraw/zinc/67/81/59/795678159.db2.gz SRYRDUHSFDMECL-KBPBESRZSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CCNc1ncccn1 ZINC001106510984 795747299 /nfs/dbraw/zinc/74/72/99/795747299.db2.gz PLAYEHDUHQQGTC-NSHDSACASA-N -1 1 344.419 2.025 20 0 EEADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc3occc3c2)c1Cl ZINC001212435948 795776463 /nfs/dbraw/zinc/77/64/63/795776463.db2.gz UDLSSNHKPNSVLA-UHFFFAOYSA-N -1 1 325.777 2.298 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1noc(C(F)(F)F)n1 ZINC000916385294 797598533 /nfs/dbraw/zinc/59/85/33/797598533.db2.gz RAYFLBVGHKHYGD-ZCFIWIBFSA-N -1 1 339.270 2.267 20 0 EEADMM COc1ccc([N-]S(=O)(=O)c2cc(N)ccc2N)cc1Cl ZINC001174153578 797700110 /nfs/dbraw/zinc/70/01/10/797700110.db2.gz FJRMNNRCWURBHU-UHFFFAOYSA-N -1 1 327.793 2.314 20 0 EEADMM CN(C[C@@H]1CCCN1C(=O)CC1CCC1)C(=O)c1ncccc1[O-] ZINC001002320773 797879018 /nfs/dbraw/zinc/87/90/18/797879018.db2.gz ROPOUGUWYBCWCZ-AWEZNQCLSA-N -1 1 331.416 2.040 20 0 EEADMM CCOC(=O)c1nsc(C(=O)OC)c1[N-]c1cnc(OC)s1 ZINC001175388363 798093086 /nfs/dbraw/zinc/09/30/86/798093086.db2.gz LFTQDQXECDSAQV-UHFFFAOYSA-N -1 1 343.386 2.315 20 0 EEADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc(C(=O)N2CCCC2)ccc1F ZINC001176210466 798379740 /nfs/dbraw/zinc/37/97/40/798379740.db2.gz JTPASYVQOWYLBS-UHFFFAOYSA-N -1 1 349.391 2.172 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)NCC1CN(C(=O)c2ncccc2[O-])C1 ZINC001002960482 798927586 /nfs/dbraw/zinc/92/75/86/798927586.db2.gz BMCXSPMQTBQXFB-GJZGRUSLSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ncccc1[O-] ZINC001003039488 799093344 /nfs/dbraw/zinc/09/33/44/799093344.db2.gz GIVMZTUWNDBUNY-KBPBESRZSA-N -1 1 333.432 2.142 20 0 EEADMM Cc1occc1C(=O)NNC(=O)c1cc(Br)ccc1[O-] ZINC000012019851 799567540 /nfs/dbraw/zinc/56/75/40/799567540.db2.gz OEOJXONFESQALK-UHFFFAOYSA-N -1 1 339.145 2.131 20 0 EEADMM CSCC[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1nn[n-]n1 ZINC000824911478 800301119 /nfs/dbraw/zinc/30/11/19/800301119.db2.gz GZQJUTNHQAEIJQ-KBPBESRZSA-N -1 1 331.445 2.230 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)Cc2c(F)cc(OC)cc2F)n1 ZINC001181117690 800678015 /nfs/dbraw/zinc/67/80/15/800678015.db2.gz ALESXCGVDNJKLI-UHFFFAOYSA-N -1 1 339.298 2.054 20 0 EEADMM Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(Cc3cc(F)ccc3C)C2)c1[O-] ZINC001033007804 800735089 /nfs/dbraw/zinc/73/50/89/800735089.db2.gz CQNFGSVGMAVDET-OAHLLOKOSA-N -1 1 346.406 2.218 20 0 EEADMM Cc1ccc(C)c(C(=O)CCC(=O)NCCCC[P@](=O)([O-])O)c1 ZINC001181474055 800792750 /nfs/dbraw/zinc/79/27/50/800792750.db2.gz FTEFLLPFQPZOHZ-UHFFFAOYSA-N -1 1 341.344 2.340 20 0 EEADMM COC([O-])=NC(=S)N(C(=O)[C@H]1C[C@]1(F)Cl)c1ccccc1N ZINC001181669298 800868588 /nfs/dbraw/zinc/86/85/88/800868588.db2.gz TVVSYAXZSCEQPE-FUXBKTLASA-N -1 1 345.783 2.167 20 0 EEADMM COC(=O)[N-]C(=S)N(C(=O)[C@H]1C[C@]1(F)Cl)c1ccccc1N ZINC001181669298 800868598 /nfs/dbraw/zinc/86/85/98/800868598.db2.gz TVVSYAXZSCEQPE-FUXBKTLASA-N -1 1 345.783 2.167 20 0 EEADMM CCOC(=O)c1nc[nH]c1NC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC001182445502 801183838 /nfs/dbraw/zinc/18/38/38/801183838.db2.gz ZYMQELFWSQLWFK-ZDUSSCGKSA-N -1 1 329.356 2.264 20 0 EEADMM CN(C(=O)[C@H]1CC12CC2)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001004242037 801394333 /nfs/dbraw/zinc/39/43/33/801394333.db2.gz JJXLGECCQJMPIA-JXQTWKCFSA-N -1 1 343.427 2.087 20 0 EEADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)CC2CCC2)c1 ZINC001183931755 801795098 /nfs/dbraw/zinc/79/50/98/801795098.db2.gz KHTQPRUMLUZDAH-UHFFFAOYSA-N -1 1 340.445 2.455 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cccc3cn(C)nc32)cc1C(=O)[O-] ZINC001184696299 802132509 /nfs/dbraw/zinc/13/25/09/802132509.db2.gz VCUYAOHAOFOKCR-UHFFFAOYSA-N -1 1 345.380 2.381 20 0 EEADMM C[C@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004748424 802743483 /nfs/dbraw/zinc/74/34/83/802743483.db2.gz FZIIPBDCQWFZCZ-ZFWWWQNUSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1cscc1C(=O)N1CCCC[C@H]1[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001004797872 802946925 /nfs/dbraw/zinc/94/69/25/802946925.db2.gz DDYGYHMXVXQYIT-AAEUAGOBSA-N -1 1 349.460 2.053 20 0 EEADMM Cc1cnc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)c2ncccc2[O-])o1 ZINC001004820345 802977479 /nfs/dbraw/zinc/97/74/79/802977479.db2.gz WKEDSDKZGNKPGB-KBPBESRZSA-N -1 1 344.415 2.257 20 0 EEADMM CC(C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C)=C1CCC1 ZINC001004827367 802996090 /nfs/dbraw/zinc/99/60/90/802996090.db2.gz OHZLGTBAQKEDTO-SWLSCSKDSA-N -1 1 343.427 2.254 20 0 EEADMM C[C@@H](CNc1ccnc(C2CCCC2)n1)NC(=O)c1ncccc1[O-] ZINC001108323764 803314516 /nfs/dbraw/zinc/31/45/16/803314516.db2.gz WYIUYIKYJISYFB-LBPRGKRZSA-N -1 1 341.415 2.465 20 0 EEADMM Cc1nc(Cl)cc(NCCCN(C)C(=O)c2ncccc2[O-])n1 ZINC001109436705 805462556 /nfs/dbraw/zinc/46/25/56/805462556.db2.gz CTQKYZLIPQFNPP-UHFFFAOYSA-N -1 1 335.795 2.113 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)CCCOc3cccc(F)c3)ccnc1-2 ZINC000791168039 809102308 /nfs/dbraw/zinc/10/23/08/809102308.db2.gz UXPVQPZAOBRFFJ-UHFFFAOYSA-N -1 1 328.347 2.279 20 0 EEADMM CCc1cnc(CNCCCC[C@@H](C)NC(=O)c2[nH]nc(C)c2[O-])o1 ZINC001170187593 809804516 /nfs/dbraw/zinc/80/45/16/809804516.db2.gz BXDKBGBLDNYRKQ-LLVKDONJSA-N -1 1 349.435 2.053 20 0 EEADMM O=C(NCC1(Nc2nc(C3CCC3)ns2)CC1)c1ncccc1[O-] ZINC001110097604 809868098 /nfs/dbraw/zinc/86/80/98/809868098.db2.gz ASQILLDJKPGAMV-UHFFFAOYSA-N -1 1 345.428 2.281 20 0 EEADMM CC(C)(C)c1nsc(NC2(CNC(=O)c3ncccc3[O-])CC2)n1 ZINC001110097987 809884392 /nfs/dbraw/zinc/88/43/92/809884392.db2.gz LXZLIACPEILQLG-UHFFFAOYSA-N -1 1 347.444 2.311 20 0 EEADMM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000793387341 810312109 /nfs/dbraw/zinc/31/21/09/810312109.db2.gz FFSQLGAQEVBCRQ-UHFFFAOYSA-N -1 1 341.364 2.411 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])[C@@H](O)Cc1ccccc1 ZINC000793943801 810615714 /nfs/dbraw/zinc/61/57/14/810615714.db2.gz ZTEUNLFRZUESJD-NSHDSACASA-N -1 1 337.173 2.092 20 0 EEADMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000805605172 811372141 /nfs/dbraw/zinc/37/21/41/811372141.db2.gz VOVDAASKCPASKD-SSDOTTSWSA-N -1 1 328.250 2.008 20 0 EEADMM O=C(OCc1ccc(Br)c2cccnc12)c1cn[n-]n1 ZINC000805608215 811413871 /nfs/dbraw/zinc/41/38/71/811413871.db2.gz BCLCWWMWRHNQKB-UHFFFAOYSA-N -1 1 333.145 2.472 20 0 EEADMM O=C(Cn1cc(Cl)cn1)Nc1nc(Br)ccc1[O-] ZINC000807115588 812106407 /nfs/dbraw/zinc/10/64/07/812106407.db2.gz CRJHUXSIIVBSJM-UHFFFAOYSA-N -1 1 331.557 2.038 20 0 EEADMM CN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1nn[n-]n1 ZINC001130972371 812249546 /nfs/dbraw/zinc/24/95/46/812249546.db2.gz WEPCCRLRJWKYRB-UHFFFAOYSA-N -1 1 338.249 2.150 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)c1 ZINC000808120788 812464024 /nfs/dbraw/zinc/46/40/24/812464024.db2.gz WSBONCSRNJBDFP-UHFFFAOYSA-N -1 1 333.409 2.322 20 0 EEADMM CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC001573553062 946884425 /nfs/dbraw/zinc/88/44/25/946884425.db2.gz VGBFVTDZAHCBGQ-UHFFFAOYSA-N -1 1 344.400 2.006 20 0 EEADMM COC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCOCC1 ZINC000826144885 947459723 /nfs/dbraw/zinc/45/97/23/947459723.db2.gz VBYRPVBNHFIIQE-UHFFFAOYSA-N -1 1 340.387 2.022 20 0 EEADMM COC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCOCC1 ZINC000826144885 947459728 /nfs/dbraw/zinc/45/97/28/947459728.db2.gz VBYRPVBNHFIIQE-UHFFFAOYSA-N -1 1 340.387 2.022 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001573361561 947691346 /nfs/dbraw/zinc/69/13/46/947691346.db2.gz BOEMNNSMDCSPPS-YFHOEESVSA-N -1 1 326.385 2.043 20 0 EEADMM CC(=CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001573361561 947691355 /nfs/dbraw/zinc/69/13/55/947691355.db2.gz BOEMNNSMDCSPPS-YFHOEESVSA-N -1 1 326.385 2.043 20 0 EEADMM Cc1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OCCO ZINC000826271610 947787360 /nfs/dbraw/zinc/78/73/60/947787360.db2.gz YSKPRNYXZMFRNU-UHFFFAOYSA-N -1 1 346.778 2.338 20 0 EEADMM Cc1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OCCO ZINC000826271610 947787365 /nfs/dbraw/zinc/78/73/65/947787365.db2.gz YSKPRNYXZMFRNU-UHFFFAOYSA-N -1 1 346.778 2.338 20 0 EEADMM Cc1onc(CC(=O)NCc2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000826347977 948063259 /nfs/dbraw/zinc/06/32/59/948063259.db2.gz OJPWPTWYIWYPEF-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Cc1onc(CC(=O)NCc2cccc3ccccc32)c1-c1nn[n-]n1 ZINC000826347977 948063267 /nfs/dbraw/zinc/06/32/67/948063267.db2.gz OJPWPTWYIWYPEF-UHFFFAOYSA-N -1 1 348.366 2.175 20 0 EEADMM Cc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)cc(C)c1F ZINC001570926254 948684950 /nfs/dbraw/zinc/68/49/50/948684950.db2.gz ZTKFRPDGGSBWNQ-UHFFFAOYSA-N -1 1 326.335 2.294 20 0 EEADMM Cc1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)cc(C)c1F ZINC001570926254 948684951 /nfs/dbraw/zinc/68/49/51/948684951.db2.gz ZTKFRPDGGSBWNQ-UHFFFAOYSA-N -1 1 326.335 2.294 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573755078 948754523 /nfs/dbraw/zinc/75/45/23/948754523.db2.gz ADESOLZGHFILHN-MRVPVSSYSA-N -1 1 330.298 2.282 20 0 EEADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573755078 948754529 /nfs/dbraw/zinc/75/45/29/948754529.db2.gz ADESOLZGHFILHN-MRVPVSSYSA-N -1 1 330.298 2.282 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)[C@@H]1OC ZINC001570933458 948896633 /nfs/dbraw/zinc/89/66/33/948896633.db2.gz BUIMVXQYSIPSEN-WQAKAFBOSA-N -1 1 333.392 2.029 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)[C@@H]1OC ZINC001570933458 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CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc2c(cc[nH]c2=O)c1 ZINC000656634427 471792387 /nfs/dbraw/zinc/79/23/87/471792387.db2.gz XYUDBYBKZUYIJB-AWEZNQCLSA-N -1 1 338.429 2.331 20 0 EEADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(OC)cc1F)[C@@H](O)C(C)C ZINC000668322276 472083927 /nfs/dbraw/zinc/08/39/27/472083927.db2.gz OMMWWGSBZSMUTD-OLZOCXBDSA-N -1 1 337.388 2.047 20 0 EEADMM COc1cccc(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1C ZINC000668743454 472250161 /nfs/dbraw/zinc/25/01/61/472250161.db2.gz ICQNTWQRNYOVBQ-UHFFFAOYSA-N -1 1 340.383 2.299 20 0 EEADMM CN1CCN(Cc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000663114528 472363002 /nfs/dbraw/zinc/36/30/02/472363002.db2.gz LPRDNXWMEVQWKZ-INIZCTEOSA-N -1 1 347.459 2.119 20 0 EEADMM CCCc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)n[nH]1 ZINC000683327480 485479894 /nfs/dbraw/zinc/47/98/94/485479894.db2.gz AQJVSDGXAPKLOY-UHFFFAOYSA-N -1 1 337.326 2.367 20 0 EEADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000679114065 485591809 /nfs/dbraw/zinc/59/18/09/485591809.db2.gz QRZIEFVBIZLEFK-GFCCVEGCSA-N -1 1 346.408 2.098 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccnn1CC(F)F ZINC000684123151 485771047 /nfs/dbraw/zinc/77/10/47/485771047.db2.gz VXFWPPIQHRIMOL-UHFFFAOYSA-N -1 1 333.298 2.496 20 0 EEADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)n[nH]1 ZINC000675125929 485905726 /nfs/dbraw/zinc/90/57/26/485905726.db2.gz VWDXGXVFDPTTSE-UHFFFAOYSA-N -1 1 345.428 2.038 20 0 EEADMM CO[C@@H]1CCC[C@@H](CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1 ZINC000684566045 485926681 /nfs/dbraw/zinc/92/66/81/485926681.db2.gz DETUZXXCYVDQFQ-XPKDYRNWSA-N -1 1 329.404 2.001 20 0 EEADMM COCCCOc1ccc(NC(=O)c2n[nH]c(C)c2[O-])cc1OC ZINC000672142627 486050667 /nfs/dbraw/zinc/05/06/67/486050667.db2.gz LPCGABMXKVPSKH-UHFFFAOYSA-N -1 1 335.360 2.100 20 0 EEADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000675947799 486101043 /nfs/dbraw/zinc/10/10/43/486101043.db2.gz JPZGKFHHHXFNPF-HNNXBMFYSA-N -1 1 343.383 2.243 20 0 EEADMM O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000677047814 486367704 /nfs/dbraw/zinc/36/77/04/486367704.db2.gz LXPOKUWMQPXRQJ-SECBINFHSA-N -1 1 330.779 2.354 20 0 EEADMM CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)[nH]1 ZINC000682524488 486495053 /nfs/dbraw/zinc/49/50/53/486495053.db2.gz MKHBDTOCIFJVRI-OLZOCXBDSA-N -1 1 344.371 2.166 20 0 EEADMM CNC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683174605 486625257 /nfs/dbraw/zinc/62/52/57/486625257.db2.gz UZWLBGPMTMWDCB-HNNXBMFYSA-N -1 1 334.322 2.240 20 0 EEADMM C[C@@H](CN(C)C(=O)c1ccc(-c2ccccc2F)o1)c1nn[n-]n1 ZINC000183425431 533725713 /nfs/dbraw/zinc/72/57/13/533725713.db2.gz GEZNWBJJRGREIR-JTQLQIEISA-N -1 1 329.335 2.475 20 0 EEADMM CN1CC[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1=O ZINC000451221799 536458937 /nfs/dbraw/zinc/45/89/37/536458937.db2.gz UWKLZVOAHIGKHS-SECBINFHSA-N -1 1 344.845 2.064 20 0 EEADMM COc1ccccc1[C@@H](C)NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000738118435 578000125 /nfs/dbraw/zinc/00/01/25/578000125.db2.gz AXISJZDIILJHNX-CYBMUJFWSA-N -1 1 334.416 2.250 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738189488 578003009 /nfs/dbraw/zinc/00/30/09/578003009.db2.gz FUNZLOGLMXMKIK-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM O=C(Nc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738189488 578003010 /nfs/dbraw/zinc/00/30/10/578003010.db2.gz FUNZLOGLMXMKIK-UHFFFAOYSA-N -1 1 336.355 2.303 20 0 EEADMM CCCNC(=O)Nc1ccc(CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000725714898 575980012 /nfs/dbraw/zinc/98/00/12/575980012.db2.gz RNNWDOLXLCFULE-INIZCTEOSA-N -1 1 335.404 2.335 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC000737662572 576292102 /nfs/dbraw/zinc/29/21/02/576292102.db2.gz VYDOCQGFBKXUST-OIBJUYFYSA-N -1 1 331.742 2.417 20 0 EEADMM Fc1cccc(Cl)c1[C@H]1C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC000737662572 576292105 /nfs/dbraw/zinc/29/21/05/576292105.db2.gz VYDOCQGFBKXUST-OIBJUYFYSA-N -1 1 331.742 2.417 20 0 EEADMM CCCCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H](C)c1ccccc1 ZINC000727852888 576453831 /nfs/dbraw/zinc/45/38/31/576453831.db2.gz IFLNWOXLEMAYCW-HNNXBMFYSA-N -1 1 343.427 2.317 20 0 EEADMM COC(=O)[C@@H](NC(=O)c1c([O-])cccc1F)c1cc(F)ccc1F ZINC000772727102 577292706 /nfs/dbraw/zinc/29/27/06/577292706.db2.gz AVBJPGQYSDGYMQ-AWEZNQCLSA-N -1 1 339.269 2.454 20 0 EEADMM Cc1ccc(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(C)c1 ZINC000773157251 577319472 /nfs/dbraw/zinc/31/94/72/577319472.db2.gz AZPOZIISLYHRNI-CQSZACIVSA-N -1 1 331.445 2.066 20 0 EEADMM CC(C)(C)SCCCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773156065 577319561 /nfs/dbraw/zinc/31/95/61/577319561.db2.gz YNCFRYJRSJVQAY-SNVBAGLBSA-N -1 1 329.495 2.128 20 0 EEADMM O=C(c1csc2c1CCCC2)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773162997 577320025 /nfs/dbraw/zinc/32/00/25/577320025.db2.gz RYECKCQNZYZIED-NSHDSACASA-N -1 1 335.458 2.070 20 0 EEADMM COc1ccnc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000734911757 577334461 /nfs/dbraw/zinc/33/44/61/577334461.db2.gz CMWNMKVHRBYCGB-UHFFFAOYSA-N -1 1 327.292 2.259 20 0 EEADMM Cc1ccc(CNC(=O)COC(=O)c2ccc([O-])cc2F)cc1F ZINC000773563720 577351710 /nfs/dbraw/zinc/35/17/10/577351710.db2.gz DIHNWKGXVGKFNE-UHFFFAOYSA-N -1 1 335.306 2.452 20 0 EEADMM CCOCc1ccccc1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000773770501 577364108 /nfs/dbraw/zinc/36/41/08/577364108.db2.gz GIKQMVKWFOMSHN-UHFFFAOYSA-N -1 1 342.424 2.485 20 0 EEADMM O=C(NCCc1c(F)cccc1F)c1ccc2n[n-]c(=S)n2c1 ZINC000773830450 577366765 /nfs/dbraw/zinc/36/67/65/577366765.db2.gz MPFSYOJFUZUABW-UHFFFAOYSA-N -1 1 334.351 2.269 20 0 EEADMM Cc1cccc(C)c1OCC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774887743 577422298 /nfs/dbraw/zinc/42/22/98/577422298.db2.gz GWSWISQYOWNFAJ-UHFFFAOYSA-N -1 1 333.306 2.294 20 0 EEADMM C[C@H](Oc1ccc(F)cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774903507 577422675 /nfs/dbraw/zinc/42/26/75/577422675.db2.gz WBUNQHLREOPQQK-VIFPVBQESA-N -1 1 337.269 2.205 20 0 EEADMM Cc1nn(C(C)(C)C)c(C)c1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774932867 577423753 /nfs/dbraw/zinc/42/37/53/577423753.db2.gz PFFPUNGNOMKCLX-UHFFFAOYSA-N -1 1 349.353 2.480 20 0 EEADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1C1CCCCC1 ZINC000765412877 577500540 /nfs/dbraw/zinc/50/05/40/577500540.db2.gz AERXJLQPAPROGB-UHFFFAOYSA-N -1 1 332.404 2.389 20 0 EEADMM Cc1cc(O[C@@H](C)C(=O)OCc2nc(=O)n(C)[n-]2)ccc1C(C)C ZINC000765459736 577501378 /nfs/dbraw/zinc/50/13/78/577501378.db2.gz DEBAWGRQUAHJOQ-LBPRGKRZSA-N -1 1 333.388 2.051 20 0 EEADMM C[C@@H]1CCC[C@H](OCCCCCC(=O)OCc2nc(=O)n(C)[n-]2)C1 ZINC000765496556 577501986 /nfs/dbraw/zinc/50/19/86/577501986.db2.gz JPWPMVNUYBJFRJ-KGLIPLIRSA-N -1 1 339.436 2.307 20 0 EEADMM Cc1c(NCC(C)(C)C)cccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765496479 577502018 /nfs/dbraw/zinc/50/20/18/577502018.db2.gz OVKZIDGEWGNWPR-UHFFFAOYSA-N -1 1 332.404 2.232 20 0 EEADMM COc1cccc(-c2noc([N-]Cc3nnc(C4CC4)n3C)n2)c1 ZINC000766098952 577512933 /nfs/dbraw/zinc/51/29/33/577512933.db2.gz DJJCVHGJDSHYGC-UHFFFAOYSA-N -1 1 326.360 2.363 20 0 EEADMM COCc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000766580488 577521847 /nfs/dbraw/zinc/52/18/47/577521847.db2.gz NUDCVDAUOKYOSS-UHFFFAOYSA-N -1 1 344.392 2.475 20 0 EEADMM CCc1ccccc1CCSc1nc([O-])cc(=O)n1CCOC ZINC000766684560 577523255 /nfs/dbraw/zinc/52/32/55/577523255.db2.gz NBEVZIZWXJPJKV-UHFFFAOYSA-N -1 1 334.441 2.493 20 0 EEADMM CCc1nnc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1C ZINC000769355814 577575749 /nfs/dbraw/zinc/57/57/49/577575749.db2.gz YCLZQTIPKIDEEP-UHFFFAOYSA-N -1 1 349.866 2.054 20 0 EEADMM Cc1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(O)c1 ZINC000770635563 577600400 /nfs/dbraw/zinc/60/04/00/577600400.db2.gz SHIOYIBCZDCZMR-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCc2cnn(C)c2C)c1 ZINC000758596420 577628058 /nfs/dbraw/zinc/62/80/58/577628058.db2.gz VNRFHQLQSSFCGY-UHFFFAOYSA-N -1 1 330.384 2.355 20 0 EEADMM O=S(=O)([N-][C@H]1CCCCC12OCCO2)c1cc2ccccc2o1 ZINC000759757327 577649564 /nfs/dbraw/zinc/64/95/64/577649564.db2.gz IUJDJESUNDZPIR-AWEZNQCLSA-N -1 1 337.397 2.397 20 0 EEADMM C[C@H]1CC[C@H](COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)O1 ZINC000762166439 577696311 /nfs/dbraw/zinc/69/63/11/577696311.db2.gz MXKLKKLNEIKGBK-WDEREUQCSA-N -1 1 345.417 2.081 20 0 EEADMM CCOc1cc(C(=O)NCCC2(C)OCCO2)cc(Cl)c1[O-] ZINC000762672860 577705588 /nfs/dbraw/zinc/70/55/88/577705588.db2.gz GTVDPLDFIIYUSW-UHFFFAOYSA-N -1 1 329.780 2.327 20 0 EEADMM Cc1nc(Cl)ccc1C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000752616294 577773716 /nfs/dbraw/zinc/77/37/16/577773716.db2.gz COKVFCIYFSWRDF-ZDUSSCGKSA-N -1 1 328.763 2.076 20 0 EEADMM CSc1nc(C)c(CCC(=O)OC2([C@@H]3CCOC3)CC2)c(=O)[n-]1 ZINC000744162553 577893924 /nfs/dbraw/zinc/89/39/24/577893924.db2.gz PDWJWCOWPIZWRK-LLVKDONJSA-N -1 1 338.429 2.257 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccnc2N(C)C)c1 ZINC000744741308 577902336 /nfs/dbraw/zinc/90/23/36/577902336.db2.gz PDEJFAHHMGYKQE-UHFFFAOYSA-N -1 1 328.368 2.455 20 0 EEADMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)COc1ccccc1 ZINC000747363694 577942987 /nfs/dbraw/zinc/94/29/87/577942987.db2.gz IPFYDXDMPMUSGQ-JTQLQIEISA-N -1 1 333.413 2.410 20 0 EEADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C(C)=O)ccc1O ZINC000748674384 577965695 /nfs/dbraw/zinc/96/56/95/577965695.db2.gz RRXGLDOSOXPHQI-UHFFFAOYSA-N -1 1 348.380 2.354 20 0 EEADMM O=C([O-])Nc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000738659634 578023127 /nfs/dbraw/zinc/02/31/27/578023127.db2.gz AMQGYRHAYVVGHB-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM O=C([O-])Nc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000738659634 578023128 /nfs/dbraw/zinc/02/31/28/578023128.db2.gz AMQGYRHAYVVGHB-UHFFFAOYSA-N -1 1 337.339 2.492 20 0 EEADMM Cc1oc(CN2CCO[C@H](c3n[nH]c(C(C)(C)C)n3)C2)cc1C(=O)[O-] ZINC000738978802 578033429 /nfs/dbraw/zinc/03/34/29/578033429.db2.gz KHTICKTWDBBDTF-ZDUSSCGKSA-N -1 1 348.403 2.275 20 0 EEADMM Cc1oc(CN2CCO[C@H](c3nnc(C(C)(C)C)[nH]3)C2)cc1C(=O)[O-] ZINC000738978802 578033430 /nfs/dbraw/zinc/03/34/30/578033430.db2.gz KHTICKTWDBBDTF-ZDUSSCGKSA-N -1 1 348.403 2.275 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736231976 578188821 /nfs/dbraw/zinc/18/88/21/578188821.db2.gz ZGYYHRTYDRYVAL-LJQANCHMSA-N -1 1 348.410 2.456 20 0 EEADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736231976 578188822 /nfs/dbraw/zinc/18/88/22/578188822.db2.gz ZGYYHRTYDRYVAL-LJQANCHMSA-N -1 1 348.410 2.456 20 0 EEADMM CC(C)(C)C(=O)N[C@H]1CCCN(CCOc2cccc(C(=O)[O-])c2)C1 ZINC000736238905 578189674 /nfs/dbraw/zinc/18/96/74/578189674.db2.gz HVAORKSCMGIFNI-HNNXBMFYSA-N -1 1 348.443 2.390 20 0 EEADMM CC[C@H](C)[C@](C)(O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736328281 578196375 /nfs/dbraw/zinc/19/63/75/578196375.db2.gz HCCPPQXTWBAEJP-MGPLVRAMSA-N -1 1 327.392 2.019 20 0 EEADMM CC[C@H](C)[C@](C)(O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736328281 578196376 /nfs/dbraw/zinc/19/63/76/578196376.db2.gz HCCPPQXTWBAEJP-MGPLVRAMSA-N -1 1 327.392 2.019 20 0 EEADMM CSC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737177605 578242315 /nfs/dbraw/zinc/24/23/15/578242315.db2.gz UKRUEIHQYBICTF-SECBINFHSA-N -1 1 346.416 2.040 20 0 EEADMM CSC[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737177605 578242316 /nfs/dbraw/zinc/24/23/16/578242316.db2.gz UKRUEIHQYBICTF-SECBINFHSA-N -1 1 346.416 2.040 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)s1 ZINC000737246328 578245884 /nfs/dbraw/zinc/24/58/84/578245884.db2.gz SPLMAEOMUNUJJL-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)s1 ZINC000737246328 578245885 /nfs/dbraw/zinc/24/58/85/578245885.db2.gz SPLMAEOMUNUJJL-VIFPVBQESA-N -1 1 328.401 2.431 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000737548832 578263487 /nfs/dbraw/zinc/26/34/87/578263487.db2.gz SESKZXMSNIUCNQ-VXGBXAGGSA-N -1 1 338.371 2.183 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1C[C@H]2CCC[C@H]21 ZINC000737548832 578263488 /nfs/dbraw/zinc/26/34/88/578263488.db2.gz SESKZXMSNIUCNQ-VXGBXAGGSA-N -1 1 338.371 2.183 20 0 EEADMM Clc1ccc(C2(CNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737570939 578265049 /nfs/dbraw/zinc/26/50/49/578265049.db2.gz MNVRNRTYALDZME-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccc(C2(CNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737570939 578265050 /nfs/dbraw/zinc/26/50/50/578265050.db2.gz MNVRNRTYALDZME-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM FC(F)(F)c1ccc(Sc2nccnc2-c2nn[n-]n2)nc1 ZINC000737637022 578267935 /nfs/dbraw/zinc/26/79/35/578267935.db2.gz XTPPAUBEWUUPIE-UHFFFAOYSA-N -1 1 325.279 2.222 20 0 EEADMM Cn1cncc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000737619576 578268148 /nfs/dbraw/zinc/26/81/48/578268148.db2.gz VXFIOZZYCKDBBG-HNNXBMFYSA-N -1 1 341.394 2.467 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC000822242411 599065127 /nfs/dbraw/zinc/06/51/27/599065127.db2.gz KJMQBAWOHJUWSM-CYBMUJFWSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC000822242411 599065130 /nfs/dbraw/zinc/06/51/30/599065130.db2.gz KJMQBAWOHJUWSM-CYBMUJFWSA-N -1 1 336.403 2.046 20 0 EEADMM Fc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1N1CCOCC1 ZINC000822754238 607316730 /nfs/dbraw/zinc/31/67/30/607316730.db2.gz XMQYWWFHNSWSQY-UHFFFAOYSA-N -1 1 344.350 2.048 20 0 EEADMM Fc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1N1CCOCC1 ZINC000822754238 607316731 /nfs/dbraw/zinc/31/67/31/607316731.db2.gz XMQYWWFHNSWSQY-UHFFFAOYSA-N -1 1 344.350 2.048 20 0 EEADMM c1cnn(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)c1 ZINC000823791624 599502967 /nfs/dbraw/zinc/50/29/67/599502967.db2.gz GCRCLAFHQFTEKF-UHFFFAOYSA-N -1 1 346.398 2.453 20 0 EEADMM c1cnn(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)c1 ZINC000823791624 599502971 /nfs/dbraw/zinc/50/29/71/599502971.db2.gz GCRCLAFHQFTEKF-UHFFFAOYSA-N -1 1 346.398 2.453 20 0 EEADMM CCc1nsc(N2CCCN(Cc3occc3C(=O)[O-])CC2)n1 ZINC000830350605 600862717 /nfs/dbraw/zinc/86/27/17/600862717.db2.gz JQPUXWLEOSHRJQ-UHFFFAOYSA-N -1 1 336.417 2.104 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)CNC(C)(C)c1ccccc1OC)C(=O)[O-] ZINC000828718361 600998737 /nfs/dbraw/zinc/99/87/37/600998737.db2.gz LZRCVTMVYGGICQ-LRDDRELGSA-N -1 1 336.432 2.135 20 0 EEADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000827935478 601039085 /nfs/dbraw/zinc/03/90/85/601039085.db2.gz RWCFLDQPLBVIRK-BMLIUANNSA-N -1 1 340.370 2.327 20 0 EEADMM CN(C)[C@H](CNC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000830580695 601108738 /nfs/dbraw/zinc/10/87/38/601108738.db2.gz JLQXJTXIYFOIHD-CYBMUJFWSA-N -1 1 344.864 2.267 20 0 EEADMM C[C@](NCC(=O)N1CCC(Cc2ccccc2)CC1)(C(=O)[O-])C1CC1 ZINC000827729289 601173169 /nfs/dbraw/zinc/17/31/69/601173169.db2.gz ZMKICMKXXDCXIF-HXUWFJFHSA-N -1 1 344.455 2.311 20 0 EEADMM O=C([O-])c1ccc(NC(=O)CN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000833105988 601356069 /nfs/dbraw/zinc/35/60/69/601356069.db2.gz NTKVUSPRIAGUNG-SFHVURJKSA-N -1 1 332.400 2.216 20 0 EEADMM CCn1ccnc1CN1CCCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000830423991 601953568 /nfs/dbraw/zinc/95/35/68/601953568.db2.gz CPXCCHPVANPTQK-UHFFFAOYSA-N -1 1 348.472 2.371 20 0 EEADMM Cc1nsc(N2CCCN(Cc3ccc(C(=O)[O-])s3)CC2)n1 ZINC000833024185 601960337 /nfs/dbraw/zinc/96/03/37/601960337.db2.gz VADOCBJROCNNQI-UHFFFAOYSA-N -1 1 338.458 2.319 20 0 EEADMM CN(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccsc1 ZINC000830581582 602354661 /nfs/dbraw/zinc/35/46/61/602354661.db2.gz PDUTVRAQPPCDEO-ZDUSSCGKSA-N -1 1 336.417 2.209 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)C ZINC000825147329 607597414 /nfs/dbraw/zinc/59/74/14/607597414.db2.gz IGYQZTGGFOTDJR-SNVBAGLBSA-N -1 1 343.840 2.233 20 0 EEADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)C ZINC000825147329 607597416 /nfs/dbraw/zinc/59/74/16/607597416.db2.gz IGYQZTGGFOTDJR-SNVBAGLBSA-N -1 1 343.840 2.233 20 0 EEADMM Cc1c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cnn1C ZINC000832853086 604337518 /nfs/dbraw/zinc/33/75/18/604337518.db2.gz CNPRTJBBNWXHLD-CYBMUJFWSA-N -1 1 328.416 2.137 20 0 EEADMM C[C@H](Oc1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1)C(=O)[O-] ZINC000833537684 604591640 /nfs/dbraw/zinc/59/16/40/604591640.db2.gz NQASTQLHHNARIG-ZDUSSCGKSA-N -1 1 342.395 2.269 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2C/C(Cl)=C/Cl ZINC000826294932 607717680 /nfs/dbraw/zinc/71/76/80/607717680.db2.gz JZJIXAMIMYCXSF-YWEYNIOJSA-N -1 1 337.170 2.204 20 0 EEADMM O=C([O-])[C@@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cccnc1 ZINC000833170832 605004921 /nfs/dbraw/zinc/00/49/21/605004921.db2.gz SYLIGGURBLHOPK-HNNXBMFYSA-N -1 1 326.356 2.239 20 0 EEADMM CCOCCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000825589139 607729473 /nfs/dbraw/zinc/72/94/73/607729473.db2.gz AOCBKENYIGNBDX-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM CCOCCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000825589139 607729474 /nfs/dbraw/zinc/72/94/74/607729474.db2.gz AOCBKENYIGNBDX-UHFFFAOYSA-N -1 1 339.403 2.429 20 0 EEADMM CC1CCC(N2CCN(C(=O)c3cncc(C(=O)[O-])c3)CC2)CC1 ZINC000833603326 605030769 /nfs/dbraw/zinc/03/07/69/605030769.db2.gz KKOZFSJOQZDMKM-UHFFFAOYSA-N -1 1 331.416 2.116 20 0 EEADMM CC(C)CCC[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833481320 605043409 /nfs/dbraw/zinc/04/34/09/605043409.db2.gz RWLYPYJEBVFRBG-CABCVRRESA-N -1 1 327.469 2.392 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1ccc(Cl)cc1 ZINC000833626784 605047746 /nfs/dbraw/zinc/04/77/46/605047746.db2.gz RFSHKRFJYOCJSA-GFCCVEGCSA-N -1 1 339.823 2.030 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc2ccccc21 ZINC000833627551 605096699 /nfs/dbraw/zinc/09/66/99/605096699.db2.gz YKHTYIFBMZMTSN-CQSZACIVSA-N -1 1 326.396 2.461 20 0 EEADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[C@H]1C ZINC000833611683 605135154 /nfs/dbraw/zinc/13/51/54/605135154.db2.gz ZJZVLWBQKVYPDM-KBXIAJHMSA-N -1 1 325.453 2.002 20 0 EEADMM CC(=O)N1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)CC12CCCCC2 ZINC000833391273 605376430 /nfs/dbraw/zinc/37/64/30/605376430.db2.gz QBUQUHXVHQSMJO-HNNXBMFYSA-N -1 1 336.432 2.001 20 0 EEADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820533325 606195629 /nfs/dbraw/zinc/19/56/29/606195629.db2.gz DMEPFJIVVUQNJC-VIFPVBQESA-N -1 1 343.318 2.117 20 0 EEADMM Cc1nc([C@@H]2CCCN2c2cc(-c3nnn[n-]3)nc3ccccc32)no1 ZINC000822435994 606214629 /nfs/dbraw/zinc/21/46/29/606214629.db2.gz DYMOTHBRQBBWKB-AWEZNQCLSA-N -1 1 348.370 2.448 20 0 EEADMM Cc1nc([C@@H]2CCCN2c2cc(-c3nn[n-]n3)nc3ccccc32)no1 ZINC000822435994 606214633 /nfs/dbraw/zinc/21/46/33/606214633.db2.gz DYMOTHBRQBBWKB-AWEZNQCLSA-N -1 1 348.370 2.448 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820641484 606279367 /nfs/dbraw/zinc/27/93/67/606279367.db2.gz CTZOCYNTQNGLLN-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820641484 606279369 /nfs/dbraw/zinc/27/93/69/606279369.db2.gz CTZOCYNTQNGLLN-WFASDCNBSA-N -1 1 334.383 2.280 20 0 EEADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1C(C)(C)C ZINC000822177432 606296541 /nfs/dbraw/zinc/29/65/41/606296541.db2.gz ZBSGZGKZRXUXKW-UHFFFAOYSA-N -1 1 341.375 2.085 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820460714 606448525 /nfs/dbraw/zinc/44/85/25/606448525.db2.gz AHCASENNLODERU-LURJTMIESA-N -1 1 347.795 2.192 20 0 EEADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820460714 606448527 /nfs/dbraw/zinc/44/85/27/606448527.db2.gz AHCASENNLODERU-LURJTMIESA-N -1 1 347.795 2.192 20 0 EEADMM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563482 606465568 /nfs/dbraw/zinc/46/55/68/606465568.db2.gz RBUVLMBGNNROAW-MFKMUULPSA-N -1 1 344.806 2.492 20 0 EEADMM C[C@H](c1ccccc1)[C@H](CO)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563482 606465570 /nfs/dbraw/zinc/46/55/70/606465570.db2.gz RBUVLMBGNNROAW-MFKMUULPSA-N -1 1 344.806 2.492 20 0 EEADMM CCc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821480870 606566239 /nfs/dbraw/zinc/56/62/39/606566239.db2.gz FSRCDYUWSOPXLX-UHFFFAOYSA-N -1 1 327.413 2.463 20 0 EEADMM CCc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821480870 606566240 /nfs/dbraw/zinc/56/62/40/606566240.db2.gz FSRCDYUWSOPXLX-UHFFFAOYSA-N -1 1 327.413 2.463 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)c2cc(F)ccc21 ZINC000821627064 606575859 /nfs/dbraw/zinc/57/58/59/606575859.db2.gz LXPAJQYKCREXAE-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)c2cc(F)ccc21 ZINC000821627064 606575861 /nfs/dbraw/zinc/57/58/61/606575861.db2.gz LXPAJQYKCREXAE-UHFFFAOYSA-N -1 1 344.375 2.164 20 0 EEADMM Clc1nsc(NC[C@H]2CSCCS2)c1-c1nnn[n-]1 ZINC000822591586 606637417 /nfs/dbraw/zinc/63/74/17/606637417.db2.gz WEQOKKLGDDOISX-YFKPBYRVSA-N -1 1 334.883 2.237 20 0 EEADMM Clc1nsc(NC[C@H]2CSCCS2)c1-c1nn[n-]n1 ZINC000822591586 606637418 /nfs/dbraw/zinc/63/74/18/606637418.db2.gz WEQOKKLGDDOISX-YFKPBYRVSA-N -1 1 334.883 2.237 20 0 EEADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc2cnccc21 ZINC000823436484 606647507 /nfs/dbraw/zinc/64/75/07/606647507.db2.gz XTMODVZBUSBITM-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc2cnccc21 ZINC000823436484 606647508 /nfs/dbraw/zinc/64/75/08/606647508.db2.gz XTMODVZBUSBITM-UHFFFAOYSA-N -1 1 332.323 2.167 20 0 EEADMM O=C(CCCc1cccs1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958956 606647732 /nfs/dbraw/zinc/64/77/32/606647732.db2.gz PJIHTCBEHNPSFP-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM O=C(CCCc1cccs1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958956 606647733 /nfs/dbraw/zinc/64/77/33/606647733.db2.gz PJIHTCBEHNPSFP-UHFFFAOYSA-N -1 1 329.385 2.389 20 0 EEADMM CC(C)Oc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820178501 606647897 /nfs/dbraw/zinc/64/78/97/606647897.db2.gz RWHISVRZAUANOF-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820178501 606647898 /nfs/dbraw/zinc/64/78/98/606647898.db2.gz RWHISVRZAUANOF-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820300017 606648590 /nfs/dbraw/zinc/64/85/90/606648590.db2.gz MYQHSNSJAHSRQP-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM C[C@H](Cc1ccccc1F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820300017 606648591 /nfs/dbraw/zinc/64/85/91/606648591.db2.gz MYQHSNSJAHSRQP-LLVKDONJSA-N -1 1 341.346 2.323 20 0 EEADMM CC(C)CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000820096830 607043731 /nfs/dbraw/zinc/04/37/31/607043731.db2.gz HLKQNTJQBPCZGD-GFCCVEGCSA-N -1 1 339.403 2.061 20 0 EEADMM CC(C)CO[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000820096830 607043733 /nfs/dbraw/zinc/04/37/33/607043733.db2.gz HLKQNTJQBPCZGD-GFCCVEGCSA-N -1 1 339.403 2.061 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N[C@H]1CCOC2(CCC2)C1 ZINC000823796428 607133701 /nfs/dbraw/zinc/13/37/01/607133701.db2.gz AGLCESOOOUQHCU-NSHDSACASA-N -1 1 337.387 2.324 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N[C@H]1CCOC2(CCC2)C1 ZINC000823796428 607133703 /nfs/dbraw/zinc/13/37/03/607133703.db2.gz AGLCESOOOUQHCU-NSHDSACASA-N -1 1 337.387 2.324 20 0 EEADMM O=C(CCc1ccc(F)cc1F)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826408878 607781144 /nfs/dbraw/zinc/78/11/44/607781144.db2.gz YOCIRAOIMFQXCV-UHFFFAOYSA-N -1 1 345.309 2.422 20 0 EEADMM CCOC(=O)[C@@H](CNc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000825494342 607900804 /nfs/dbraw/zinc/90/08/04/607900804.db2.gz WPFMGHLFIVVRNM-ZDUSSCGKSA-N -1 1 338.371 2.021 20 0 EEADMM CCOC(=O)[C@@H](CNc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000825494342 607900805 /nfs/dbraw/zinc/90/08/05/607900805.db2.gz WPFMGHLFIVVRNM-ZDUSSCGKSA-N -1 1 338.371 2.021 20 0 EEADMM CCOc1ccc(Cl)cc1CCNc1nccnc1-c1nnn[n-]1 ZINC000825639592 607905282 /nfs/dbraw/zinc/90/52/82/607905282.db2.gz ZTYLMNHUPQAPST-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM CCOc1ccc(Cl)cc1CCNc1nccnc1-c1nn[n-]n1 ZINC000825639592 607905283 /nfs/dbraw/zinc/90/52/83/607905283.db2.gz ZTYLMNHUPQAPST-UHFFFAOYSA-N -1 1 345.794 2.363 20 0 EEADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(-c2ccco2)on1 ZINC000826451224 607997824 /nfs/dbraw/zinc/99/78/24/607997824.db2.gz WJUGUJRMFNCHDW-UHFFFAOYSA-N -1 1 338.283 2.073 20 0 EEADMM Brc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000823826745 608395076 /nfs/dbraw/zinc/39/50/76/608395076.db2.gz OAPYPLMSYZKNMU-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM Brc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000823826745 608395080 /nfs/dbraw/zinc/39/50/80/608395080.db2.gz OAPYPLMSYZKNMU-UHFFFAOYSA-N -1 1 338.194 2.093 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825976219 608401373 /nfs/dbraw/zinc/40/13/73/608401373.db2.gz HDWSWBRMUQFVFE-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM CN(Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825976219 608401375 /nfs/dbraw/zinc/40/13/75/608401375.db2.gz HDWSWBRMUQFVFE-UHFFFAOYSA-N -1 1 335.293 2.312 20 0 EEADMM Clc1ccc2c(CCNc3ccc(-c4nnn[n-]4)nn3)c[nH]c2c1 ZINC000826353042 608407203 /nfs/dbraw/zinc/40/72/03/608407203.db2.gz YSKAOUBYZNHAFO-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Clc1ccc2c(CCNc3ccc(-c4nn[n-]n4)nn3)c[nH]c2c1 ZINC000826353042 608407204 /nfs/dbraw/zinc/40/72/04/608407204.db2.gz YSKAOUBYZNHAFO-UHFFFAOYSA-N -1 1 340.778 2.446 20 0 EEADMM Cc1cccn2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)nc12 ZINC000826308108 608410552 /nfs/dbraw/zinc/41/05/52/608410552.db2.gz KDNQBYKCIHQDEP-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM Cc1cccn2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)nc12 ZINC000826308108 608410553 /nfs/dbraw/zinc/41/05/53/608410553.db2.gz KDNQBYKCIHQDEP-UHFFFAOYSA-N -1 1 340.778 2.483 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520186 608438028 /nfs/dbraw/zinc/43/80/28/608438028.db2.gz BZJDGFWPJHWCPX-WFASDCNBSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](C[C@@H]2CCOC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520186 608438030 /nfs/dbraw/zinc/43/80/30/608438030.db2.gz BZJDGFWPJHWCPX-WFASDCNBSA-N -1 1 337.387 2.237 20 0 EEADMM CCc1nc([C@H]2CCCCN2Cc2ccc(-c3nnn[n-]3)o2)no1 ZINC000825745128 608617491 /nfs/dbraw/zinc/61/74/91/608617491.db2.gz ILXRXVJMQQNKIP-LLVKDONJSA-N -1 1 329.364 2.132 20 0 EEADMM CCc1nc([C@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)o2)no1 ZINC000825745128 608617494 /nfs/dbraw/zinc/61/74/94/608617494.db2.gz ILXRXVJMQQNKIP-LLVKDONJSA-N -1 1 329.364 2.132 20 0 EEADMM CCc1nn(Cc2ccc(CF)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763144 609267091 /nfs/dbraw/zinc/26/70/91/609267091.db2.gz PQEOZJJZPNBMMS-UHFFFAOYSA-N -1 1 342.378 2.066 20 0 EEADMM O=C(C[N-]S(=O)(=O)c1cc(F)ccc1F)OC1CCCCC1 ZINC000177551899 675916301 /nfs/dbraw/zinc/91/63/01/675916301.db2.gz PJGOULCNPWQVLL-UHFFFAOYSA-N -1 1 333.356 2.119 20 0 EEADMM CC(C)c1cc(C(=O)NNC(=O)c2cc3ccccc3cc2[O-])[nH]n1 ZINC000050170445 676253667 /nfs/dbraw/zinc/25/36/67/676253667.db2.gz WBDPTKNIDFJXNN-UHFFFAOYSA-N -1 1 338.367 2.467 20 0 EEADMM COc1cc[n-]c(=NNC(=O)N[C@@H](C)COc2c(C)cccc2C)n1 ZINC000056959886 676349454 /nfs/dbraw/zinc/34/94/54/676349454.db2.gz HLWLDSNZIBEPKY-ZDUSSCGKSA-N -1 1 345.403 2.196 20 0 EEADMM O=C(Cc1cncs1)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000188514208 676526098 /nfs/dbraw/zinc/52/60/98/676526098.db2.gz RLFHAALSLOQFMG-UHFFFAOYSA-N -1 1 330.196 2.454 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)CC(C)(C)C ZINC000984801820 685266589 /nfs/dbraw/zinc/26/65/89/685266589.db2.gz XRIFDLQBURRTCJ-QWHCGFSZSA-N -1 1 333.432 2.333 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCc2ccc3ccccc3c2)C1 ZINC000909404147 681287263 /nfs/dbraw/zinc/28/72/63/681287263.db2.gz YZGARMQELPDCOA-QGZVFWFLSA-N -1 1 326.396 2.253 20 0 EEADMM CCC(C)(CC)C(=O)N1CC[C@@H](CNC(=O)c2ncccc2[O-])C1 ZINC000982828533 681343532 /nfs/dbraw/zinc/34/35/32/681343532.db2.gz RVGDBOOJMCISKK-ZDUSSCGKSA-N -1 1 333.432 2.192 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000937306014 682165966 /nfs/dbraw/zinc/16/59/66/682165966.db2.gz PLYSKFXKUWGVRP-AWEZNQCLSA-N -1 1 345.443 2.431 20 0 EEADMM CC1(CC(=O)N2CCCC[C@H]2[C@H]2CCCN2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001025253456 682341840 /nfs/dbraw/zinc/34/18/40/682341840.db2.gz VSJNUXXLEDVLPF-KGLIPLIRSA-N -1 1 347.463 2.046 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ccsc2)C1)c1ncccc1[O-] ZINC001059123152 682375084 /nfs/dbraw/zinc/37/50/84/682375084.db2.gz QLOYWCZBDSPZOG-GFCCVEGCSA-N -1 1 345.424 2.131 20 0 EEADMM CC1(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)CC=CC1 ZINC000983586805 682903686 /nfs/dbraw/zinc/90/36/86/682903686.db2.gz XPXJUZPIXKCSRN-UONOGXRCSA-N -1 1 343.427 2.301 20 0 EEADMM O=C(N[C@H]1CCC[C@H](NC(=O)C2CC3(CC3)C2)C1)c1ncccc1[O-] ZINC000983586453 682904600 /nfs/dbraw/zinc/90/46/00/682904600.db2.gz VJQLDDBZWRKWQQ-KBPBESRZSA-N -1 1 343.427 2.135 20 0 EEADMM Cn1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)nc1Cl ZINC000152569184 683373995 /nfs/dbraw/zinc/37/39/95/683373995.db2.gz AIJWRCFWNWHREB-UHFFFAOYSA-N -1 1 329.813 2.255 20 0 EEADMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1C[C@H](C)CO1 ZINC000893005755 683533067 /nfs/dbraw/zinc/53/30/67/683533067.db2.gz RRICEARQBGZSJU-NHYWBVRUSA-N -1 1 343.383 2.063 20 0 EEADMM C/C(=C\C(=O)N1CCC[C@H](N(C)C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000983939099 683852586 /nfs/dbraw/zinc/85/25/86/683852586.db2.gz JWENFTNHDJONEV-FQNOHDAGSA-N -1 1 343.427 2.207 20 0 EEADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ncc[nH]2)c(=O)[n-]1 ZINC000329162013 683947355 /nfs/dbraw/zinc/94/73/55/683947355.db2.gz ZIZVXLRLCALZET-LBPRGKRZSA-N -1 1 347.444 2.232 20 0 EEADMM CC(C)c1occc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000974055272 684265634 /nfs/dbraw/zinc/26/56/34/684265634.db2.gz CQQZLEHNGSUBGD-TXEJJXNPSA-N -1 1 343.383 2.194 20 0 EEADMM CC[C@H](C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000310343127 684609555 /nfs/dbraw/zinc/60/95/55/684609555.db2.gz DMZIMTWDRHGGMU-IMJJTQAJSA-N -1 1 333.432 2.059 20 0 EEADMM O=C(CCCNC(=O)c1ccc2ccc(O)cc2c1[O-])NC1CC1 ZINC000895746213 684706625 /nfs/dbraw/zinc/70/66/25/684706625.db2.gz IKLNHCIQIWMCNE-UHFFFAOYSA-N -1 1 328.368 2.040 20 0 EEADMM Cn1cc(S(=O)(=O)Nc2ccc(C[NH+](C)C)cc2F)nc1Cl ZINC000840917051 684881189 /nfs/dbraw/zinc/88/11/89/684881189.db2.gz FRAYIQUAGFUNJY-UHFFFAOYSA-N -1 1 346.815 2.075 20 0 EEADMM O=C(NCCCOC[C@H]1CCOC1)c1ccc2ccc(O)cc2c1[O-] ZINC000896524533 685013565 /nfs/dbraw/zinc/01/35/65/685013565.db2.gz PPKRYIZHGANQDC-CYBMUJFWSA-N -1 1 345.395 2.424 20 0 EEADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(n2ccnn2)CC1 ZINC000897137410 686183774 /nfs/dbraw/zinc/18/37/74/686183774.db2.gz DOWUOIZVCZBBTF-UHFFFAOYSA-N -1 1 338.367 2.320 20 0 EEADMM CCC[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059514582 686263970 /nfs/dbraw/zinc/26/39/70/686263970.db2.gz GMKIOFFHWAOIDU-KGLIPLIRSA-N -1 1 333.432 2.192 20 0 EEADMM CCCC1(C(=O)NCC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)CC1 ZINC001059516006 686282574 /nfs/dbraw/zinc/28/25/74/686282574.db2.gz CJNHBXXBDVSVHD-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM O=C(NC[C@H]1CCCN(C(=O)c2ccsc2)C1)c1ncccc1[O-] ZINC000975226624 686319681 /nfs/dbraw/zinc/31/96/81/686319681.db2.gz QNVHDNSCXXODLL-GFCCVEGCSA-N -1 1 345.424 2.131 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC000975520648 686671350 /nfs/dbraw/zinc/67/13/50/686671350.db2.gz OPDFLTINKMICFD-RBSFLKMASA-N -1 1 345.443 2.192 20 0 EEADMM CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000975948508 687200608 /nfs/dbraw/zinc/20/06/08/687200608.db2.gz GYICZXBGEFAFOX-ZIAGYGMSSA-N -1 1 331.416 2.183 20 0 EEADMM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000909639243 687283007 /nfs/dbraw/zinc/28/30/07/687283007.db2.gz DROYASYGQYUTSH-UHFFFAOYSA-N -1 1 330.388 2.158 20 0 EEADMM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)CN(C)C(C)C)c1 ZINC000909639243 687283011 /nfs/dbraw/zinc/28/30/11/687283011.db2.gz DROYASYGQYUTSH-UHFFFAOYSA-N -1 1 330.388 2.158 20 0 EEADMM CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897390453 688741655 /nfs/dbraw/zinc/74/16/55/688741655.db2.gz KYJXRSARTJFBSY-HOTGVXAUSA-N -1 1 331.368 2.175 20 0 EEADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029989039 688975550 /nfs/dbraw/zinc/97/55/50/688975550.db2.gz KBRCICBJEURGFK-UKRRQHHQSA-N -1 1 349.479 2.007 20 0 EEADMM O=C(N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1=CCCC1 ZINC000987003938 689214727 /nfs/dbraw/zinc/21/47/27/689214727.db2.gz QHJYMCNSLSMMFE-OAHLLOKOSA-N -1 1 343.427 2.399 20 0 EEADMM Cc1c([C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])cnn1C ZINC000904047388 694281829 /nfs/dbraw/zinc/28/18/29/694281829.db2.gz DKSSGDOIMUVAPK-CQSZACIVSA-N -1 1 335.791 2.232 20 0 EEADMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000866957045 689640281 /nfs/dbraw/zinc/64/02/81/689640281.db2.gz APTDYCLUYBMJIE-DTWKUNHWSA-N -1 1 339.244 2.482 20 0 EEADMM O=C([O-])c1cccc(NCCN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000263520241 690044604 /nfs/dbraw/zinc/04/46/04/690044604.db2.gz QNJQILCBLXWMQI-UHFFFAOYSA-N -1 1 344.390 2.153 20 0 EEADMM CCc1ccc(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])C2)s1 ZINC000937867410 691043593 /nfs/dbraw/zinc/04/35/93/691043593.db2.gz YJYQYWVFMKRWTF-NSHDSACASA-N -1 1 345.424 2.056 20 0 EEADMM C[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCC1CCCCCC1 ZINC000989193575 691513871 /nfs/dbraw/zinc/51/38/71/691513871.db2.gz KQHLHIFXLCVCQN-ZFWWWQNUSA-N -1 1 349.479 2.340 20 0 EEADMM CCNC(=O)C1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCC1 ZINC000897556607 691603227 /nfs/dbraw/zinc/60/32/27/691603227.db2.gz SFKXFUKRTJRSNP-UHFFFAOYSA-N -1 1 342.395 2.287 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC[S@@](=O)C1 ZINC000897570708 691630721 /nfs/dbraw/zinc/63/07/21/691630721.db2.gz AABCJJUJPCZRIM-QVQLBTGDSA-N -1 1 333.409 2.092 20 0 EEADMM CC(C)Oc1cccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c1 ZINC000905104551 694530644 /nfs/dbraw/zinc/53/06/44/694530644.db2.gz TXPOMMKPVLJLCN-UHFFFAOYSA-N -1 1 332.447 2.392 20 0 EEADMM CN(C[C@@H]1CCN1C(=O)c1ncccc1[O-])C(=O)C1=CCCCCC1 ZINC000977624486 692860487 /nfs/dbraw/zinc/86/04/87/692860487.db2.gz CDJOQFPADMLEIP-HNNXBMFYSA-N -1 1 343.427 2.351 20 0 EEADMM C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000898668470 693413692 /nfs/dbraw/zinc/41/36/92/693413692.db2.gz HZHBVEVICKQWIH-OLZOCXBDSA-N -1 1 344.411 2.090 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000898754761 693447471 /nfs/dbraw/zinc/44/74/71/693447471.db2.gz KLVURLUXLHRSIW-ZIAGYGMSSA-N -1 1 327.384 2.163 20 0 EEADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)N2CCc3ccccc3C2)n1 ZINC000898936152 693535723 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C[C@H]1C[C@@H](CNC(=O)c2ncccc2[O-])CN1C(=O)c1ccsc1 ZINC001009992225 1223489318 /nfs/dbraw/zinc/48/93/18/1223489318.db2.gz DAXKIJVBFFBMQE-RYUDHWBXSA-N -1 1 345.424 2.129 20 0 EEADMM CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001054600313 1248710499 /nfs/dbraw/zinc/71/04/99/1248710499.db2.gz YTIKFDHUNKXCNN-BTTYYORXSA-N -1 1 345.443 2.333 20 0 EEADMM Cc1ccc(C)c(C(=O)N2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC001011036036 1224022065 /nfs/dbraw/zinc/02/20/65/1224022065.db2.gz WYHQCMABDGNKDO-UHFFFAOYSA-N -1 1 339.395 2.002 20 0 EEADMM CC1(C)C[C@@H]1C(=O)N[C@]12CCC[C@H]1N(C(=O)c1ncccc1[O-])CC2 ZINC001014245136 1226405840 /nfs/dbraw/zinc/40/58/40/1226405840.db2.gz KJVITXQNGNOEOG-TVZGQMOCSA-N -1 1 343.427 2.087 20 0 EEADMM Cc1cc(C)c(C(=O)N(C)C2CC(NC(=O)c3ncccc3[O-])C2)o1 ZINC001016374234 1226407050 /nfs/dbraw/zinc/40/70/50/1226407050.db2.gz RAVJXDHSOPLILR-UHFFFAOYSA-N -1 1 343.383 2.030 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1ncnc2ccccc21 ZINC001067075562 1226500997 /nfs/dbraw/zinc/50/09/97/1226500997.db2.gz IPTWWMKEWNLJIM-SWLSCSKDSA-N -1 1 349.394 2.303 20 0 EEADMM O=C(NC1(C2CCN(C(=O)c3ncccc3[O-])CC2)CC1)C1CCC1 ZINC001017122296 1227143025 /nfs/dbraw/zinc/14/30/25/1227143025.db2.gz KQMRDTRBVQWUDX-UHFFFAOYSA-N -1 1 343.427 2.088 20 0 EEADMM CN(CCCN(C)C(=O)c1ncccc1[O-])C(=O)CCC(C)(F)F ZINC001067254662 1229774640 /nfs/dbraw/zinc/77/46/40/1229774640.db2.gz ITCHACJUQCWSQG-UHFFFAOYSA-N -1 1 343.374 2.143 20 0 EEADMM CN(CCCN(C)C(=O)C1C=CC=CC=C1)C(=O)c1ncccc1[O-] ZINC001067254815 1229778773 /nfs/dbraw/zinc/77/87/73/1229778773.db2.gz OWFLHNKITRQOHV-UHFFFAOYSA-N -1 1 341.411 2.006 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1nccs1 ZINC001039555491 1230692509 /nfs/dbraw/zinc/69/25/09/1230692509.db2.gz LLMBCOQEGLKTJW-BETUJISGSA-N -1 1 344.440 2.123 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2CCC(F)(F)F ZINC001039555804 1230692710 /nfs/dbraw/zinc/69/27/10/1230692710.db2.gz QBWNQUXLXODWDV-TXEJJXNPSA-N -1 1 343.349 2.419 20 0 EEADMM CC1(C)CCCC[C@@H]1CC(=O)N1CCC[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001045333653 1233676878 /nfs/dbraw/zinc/67/68/78/1233676878.db2.gz QUYAHBCAZIWIFY-KGLIPLIRSA-N -1 1 349.479 2.197 20 0 EEADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ncncc1Cl)c1ncccc1[O-] ZINC001045438976 1233746425 /nfs/dbraw/zinc/74/64/25/1233746425.db2.gz QQFGOYYTBFDVEE-VXGBXAGGSA-N -1 1 347.806 2.384 20 0 EEADMM C[C@H]1CN(C(=O)CCC2CCCCCC2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001054914889 1249369232 /nfs/dbraw/zinc/36/92/32/1249369232.db2.gz TUKIDFNDZLXSPR-DZGCQCFKSA-N -1 1 349.479 2.197 20 0 EEADMM CC(C)c1ocnc1CN1CC[C@@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001046262884 1234607423 /nfs/dbraw/zinc/60/74/23/1234607423.db2.gz YTFISADNEPMOGX-GOSISDBHSA-N -1 1 344.415 2.293 20 0 EEADMM O=C(OCc1noc(C2CC2)n1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203243 1235213808 /nfs/dbraw/zinc/21/38/08/1235213808.db2.gz PYOJOGTUNWMMOX-UHFFFAOYSA-N -1 1 326.312 2.195 20 0 EEADMM COc1ncccc1COC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801324715 1235423934 /nfs/dbraw/zinc/42/39/34/1235423934.db2.gz DUCVSTQJZMVZEH-UHFFFAOYSA-N -1 1 343.314 2.478 20 0 EEADMM COc1ccc(C2=NO[C@H](CNC(=O)c3ncccc3[O-])C2)cc1C ZINC000801373511 1235470055 /nfs/dbraw/zinc/47/00/55/1235470055.db2.gz XZBPJGRVPYFJSH-ZDUSSCGKSA-N -1 1 341.367 2.027 20 0 EEADMM CCCCn1cc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)n1 ZINC000901319290 1235538985 /nfs/dbraw/zinc/53/89/85/1235538985.db2.gz XKQKCZBESDHDLU-UHFFFAOYSA-N -1 1 329.404 2.295 20 0 EEADMM COC(=O)CCCOC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000801427082 1235562361 /nfs/dbraw/zinc/56/23/61/1235562361.db2.gz KSPWFHLXACJAKM-UHFFFAOYSA-N -1 1 336.319 2.135 20 0 EEADMM COc1cc(F)c(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)c(F)c1 ZINC001413329413 1235564367 /nfs/dbraw/zinc/56/43/67/1235564367.db2.gz OXQNKCRYEKWGFZ-NSHDSACASA-N -1 1 349.399 2.193 20 0 EEADMM C[C@H](CN1CCC(CC(=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000901418690 1235754883 /nfs/dbraw/zinc/75/48/83/1235754883.db2.gz OCFMUJQKUBTSJW-CYBMUJFWSA-N -1 1 339.457 2.380 20 0 EEADMM Cn1[n-]cc2c(=NC(=O)C(F)(F)c3c(F)cccc3F)ccnc1-2 ZINC000801701129 1236051458 /nfs/dbraw/zinc/05/14/58/1236051458.db2.gz ZDZSTVYDNGDAPQ-UHFFFAOYSA-N -1 1 338.264 2.351 20 0 EEADMM C[C@H](CCN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000901625238 1236064786 /nfs/dbraw/zinc/06/47/86/1236064786.db2.gz ADRWWLISDHNMDP-NVXWUHKLSA-N -1 1 332.444 2.435 20 0 EEADMM COc1cc(OC)c(CN(CCC(=O)[O-])C[C@H]2CCCO2)cc1F ZINC000901677091 1236149359 /nfs/dbraw/zinc/14/93/59/1236149359.db2.gz IXZZPWHHTXFUGH-CYBMUJFWSA-N -1 1 341.379 2.299 20 0 EEADMM Cc1ccc(CNCc2cn(C)nc2C(=O)[O-])cc1Br ZINC000902356138 1237448293 /nfs/dbraw/zinc/44/82/93/1237448293.db2.gz RBPXZKAVOVGWCJ-UHFFFAOYSA-N -1 1 338.205 2.479 20 0 EEADMM CC(C)(C)[C@@H](CNC(=O)c1ccccc1)NC(=O)c1ncccc1[O-] ZINC001413463476 1238137156 /nfs/dbraw/zinc/13/71/56/1238137156.db2.gz OVBVPGQMWQTLPI-OAHLLOKOSA-N -1 1 341.411 2.362 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC(C2CCOCC2)CC1 ZINC000827254227 1238749763 /nfs/dbraw/zinc/74/97/63/1238749763.db2.gz GNTBWBPUUVLHQA-UHFFFAOYSA-N -1 1 346.456 2.297 20 0 EEADMM CCCCC(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC001073373663 1242398115 /nfs/dbraw/zinc/39/81/15/1242398115.db2.gz XWGLCVWEQAIQNU-AWEZNQCLSA-N -1 1 333.432 2.334 20 0 EEADMM O=C(CC1CCCCCC1)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001001546737 1242460003 /nfs/dbraw/zinc/46/00/03/1242460003.db2.gz WEOZEQOEEWMPEX-UHFFFAOYSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)(C)c1nc(CN2CCOc3c(cccc3C(=O)[O-])C2)n[nH]1 ZINC000903927155 1242527973 /nfs/dbraw/zinc/52/79/73/1242527973.db2.gz JBHORYBUGIUALD-UHFFFAOYSA-N -1 1 330.388 2.195 20 0 EEADMM Cc1ccnc(N[C@H]2CCCCCN(C(=O)c3ncccc3[O-])C2)n1 ZINC001049892249 1242565430 /nfs/dbraw/zinc/56/54/30/1242565430.db2.gz AHLPXFYVQDQIFB-AWEZNQCLSA-N -1 1 341.415 2.383 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])c1nc(C)nc(C)c1C ZINC001101125866 1245429473 /nfs/dbraw/zinc/42/94/73/1245429473.db2.gz RSIWOHBFKUNIMU-UHFFFAOYSA-N -1 1 343.431 2.149 20 0 EEADMM O=C(NCC1CC(Nc2cnc3ccccc3n2)C1)c1ncccc1[O-] ZINC001051910918 1246251021 /nfs/dbraw/zinc/25/10/21/1246251021.db2.gz NWXDCRJIYFGESM-UHFFFAOYSA-N -1 1 349.394 2.351 20 0 EEADMM CC(C)=CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001053579595 1246494507 /nfs/dbraw/zinc/49/45/07/1246494507.db2.gz OJWQJUQBEORVGI-QDMKHBRRSA-N -1 1 343.427 2.253 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CCC1CCC1 ZINC001052420342 1247240832 /nfs/dbraw/zinc/24/08/32/1247240832.db2.gz DNVIZFYPEBUEHJ-UKRRQHHQSA-N -1 1 345.443 2.192 20 0 EEADMM CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001052420937 1247243274 /nfs/dbraw/zinc/24/32/74/1247243274.db2.gz HXDNENIAJJDFAF-QWHCGFSZSA-N -1 1 333.432 2.048 20 0 EEADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNC(=O)CC(C)(C)C ZINC001052422487 1247245589 /nfs/dbraw/zinc/24/55/89/1247245589.db2.gz RLOIRKMUGWKKKV-QWHCGFSZSA-N -1 1 333.432 2.048 20 0 EEADMM CCC1(NC(=O)CC2CCC2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001069322862 1252744185 /nfs/dbraw/zinc/74/41/85/1252744185.db2.gz UBCFPUKGQYIPMM-UHFFFAOYSA-N -1 1 345.443 2.478 20 0 EEADMM C[C@H]1CN(C(=O)CCC(C)(C)C)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001072582537 1255250953 /nfs/dbraw/zinc/25/09/53/1255250953.db2.gz PNEFMFFWIIPWNZ-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM CCCCCC(=O)N1CCC(C)(NC(=O)c2ncccc2[O-])CC1 ZINC001072874196 1255452722 /nfs/dbraw/zinc/45/27/22/1255452722.db2.gz OHYLGCCWMNZKJO-UHFFFAOYSA-N -1 1 333.432 2.478 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ncccc3[O-])[C@H](C)C2)CC1 ZINC001075168555 1257446110 /nfs/dbraw/zinc/44/61/10/1257446110.db2.gz BDMPNKMLISPNID-KGLIPLIRSA-N -1 1 345.443 2.477 20 0 EEADMM COc1cccc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)c1F ZINC000341797120 1278542177 /nfs/dbraw/zinc/54/21/77/1278542177.db2.gz GDTFGUYXKQRICL-UHFFFAOYSA-N -1 1 343.318 2.179 20 0 EEADMM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000345469865 1278553405 /nfs/dbraw/zinc/55/34/05/1278553405.db2.gz RZYPENNPIDAMHP-UHFFFAOYSA-N -1 1 331.282 2.309 20 0 EEADMM O=c1[nH]c2ccc([N-]S(=O)(=O)c3ccc4n[nH]cc4c3)cc2o1 ZINC001185990932 1278878658 /nfs/dbraw/zinc/87/86/58/1278878658.db2.gz WEDZBHDDMZACNB-UHFFFAOYSA-N -1 1 330.325 2.211 20 0 EEADMM O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1ccc([O-])c(F)c1 ZINC001186236725 1279000326 /nfs/dbraw/zinc/00/03/26/1279000326.db2.gz LVHLGMHYDZVEMD-UHFFFAOYSA-N -1 1 334.391 2.442 20 0 EEADMM O=Nc1c(=O)[n-]c(=S)[nH]c1NC(=O)NCCc1ccc(F)cc1 ZINC001186248498 1279004318 /nfs/dbraw/zinc/00/43/18/1279004318.db2.gz UNZIYUIEHRAHNZ-UHFFFAOYSA-N -1 1 337.336 2.372 20 0 EEADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001186218139 1279010130 /nfs/dbraw/zinc/01/01/30/1279010130.db2.gz FKTZTQLSCBGXOP-GJZGRUSLSA-N -1 1 332.375 2.147 20 0 EEADMM O=C(c1ccc([O-])cc1F)N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001186327208 1279041959 /nfs/dbraw/zinc/04/19/59/1279041959.db2.gz OUMUHWCQGQEJBD-HNNXBMFYSA-N -1 1 348.761 2.498 20 0 EEADMM COCCC1([N-]S(=O)(=O)c2cnoc2C)CCC(F)(F)CC1 ZINC001187413802 1279527117 /nfs/dbraw/zinc/52/71/17/1279527117.db2.gz JOZOAAXZTDEPGI-UHFFFAOYSA-N -1 1 338.376 2.246 20 0 EEADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCO1 ZINC000867045126 1280026878 /nfs/dbraw/zinc/02/68/78/1280026878.db2.gz ODPOTBWTDXJBKA-VXNVDRBHSA-N -1 1 325.217 2.234 20 0 EEADMM O=C([N-]c1ncnc2n[nH]nc21)c1nc(Cl)ccc1C(F)(F)F ZINC001188755498 1279995213 /nfs/dbraw/zinc/99/52/13/1279995213.db2.gz KLXYTGWIWICYDQ-UHFFFAOYSA-N -1 1 343.656 2.067 20 0 EEADMM CCOc1cccc(OCC)c1C(=O)N=c1ncnc2[nH][n-]c(C)c1-2 ZINC001188850568 1280046287 /nfs/dbraw/zinc/04/62/87/1280046287.db2.gz BUVOPDJHOYTTQI-UHFFFAOYSA-N -1 1 341.371 2.085 20 0 EEADMM Cc1nc(N)sc1C(=O)Nc1nc(Br)ccc1[O-] ZINC001189273913 1280242422 /nfs/dbraw/zinc/24/24/22/1280242422.db2.gz WGOKAJTVSSWJPW-UHFFFAOYSA-N -1 1 329.179 2.149 20 0 EEADMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cnc1Cl ZINC000867056290 1280635213 /nfs/dbraw/zinc/63/52/13/1280635213.db2.gz PVAMFZZGWINUNN-MRVPVSSYSA-N -1 1 341.260 2.464 20 0 EEADMM COc1cc([O-])c(C(=O)Nc2ccc(-n3ccnn3)cc2)c(OC)c1 ZINC001190138455 1280673489 /nfs/dbraw/zinc/67/34/89/1280673489.db2.gz 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ZINC001191908424 1281668519 /nfs/dbraw/zinc/66/85/19/1281668519.db2.gz DOJRSROBQXNLSE-UHFFFAOYSA-N -1 1 348.322 2.030 20 0 EEADMM O=S(=O)([N-]CCOc1ccccc1F)C(Cl)(Cl)Cl ZINC001192043846 1281777854 /nfs/dbraw/zinc/77/78/54/1281777854.db2.gz HGMYCPMICBPEHH-UHFFFAOYSA-N -1 1 336.599 2.452 20 0 EEADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(F)c2O)cc1 ZINC001192139163 1281840235 /nfs/dbraw/zinc/84/02/35/1281840235.db2.gz IPSURLIKVNVAGY-UHFFFAOYSA-N -1 1 339.344 2.349 20 0 EEADMM CC(C)Cc1ccc(C(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1 ZINC001192474458 1281982707 /nfs/dbraw/zinc/98/27/07/1281982707.db2.gz OCZFAFCVOQYEIS-UHFFFAOYSA-N -1 1 327.344 2.167 20 0 EEADMM Nc1ccc(COCCO)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001192540326 1282054554 /nfs/dbraw/zinc/05/45/54/1282054554.db2.gz LRQDOKYRGWRPBR-UHFFFAOYSA-N -1 1 338.310 2.014 20 0 EEADMM CN1CCN(c2ccc(NC(=O)c3c(F)ccc(F)c3[O-])nc2)CC1 ZINC001192694979 1282113484 /nfs/dbraw/zinc/11/34/84/1282113484.db2.gz RBLFISLSJUWXTG-UHFFFAOYSA-N -1 1 348.353 2.070 20 0 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NC(=O)c1nc(Cl)c(N)nc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486463 1296483928 /nfs/dbraw/zinc/48/39/28/1296483928.db2.gz JEDITIPPJIKXTB-UHFFFAOYSA-N -1 1 332.122 2.053 20 0 EEADMM Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc3n[nH]cc32)cc1N ZINC001215861146 1297005164 /nfs/dbraw/zinc/00/51/64/1297005164.db2.gz WYMSRIVDPCDSER-UHFFFAOYSA-N -1 1 337.792 2.182 20 0 EEADMM Cc1cc(N(c2cccc(N)c2)S(N)(=O)=O)cc(Cl)c1[O-] ZINC001216087646 1297060460 /nfs/dbraw/zinc/06/04/60/1297060460.db2.gz UIBROVACBXKXTL-UHFFFAOYSA-N -1 1 327.793 2.278 20 0 EEADMM CCC[C@](C)(NC(=O)NC[C@@H](c1ccco1)N1CCCC1)C(=O)[O-] ZINC000780344230 1300244433 /nfs/dbraw/zinc/24/44/33/1300244433.db2.gz KFVLAKNPZTXOIK-GUYCJALGSA-N -1 1 337.420 2.359 20 0 EEADMM C[C@H](OCCCC[P@](=O)([O-])O)c1cc(Br)no1 ZINC001225019926 1300833720 /nfs/dbraw/zinc/83/37/20/1300833720.db2.gz HDBXYXNCBUJPOL-ZETCQYMHSA-N -1 1 328.099 2.473 20 0 EEADMM CC(C)(C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001225369376 1300978207 /nfs/dbraw/zinc/97/82/07/1300978207.db2.gz SWGAWLUPRZPWJS-CHWSQXEVSA-N -1 1 337.468 2.244 20 0 EEADMM C[C@@H](CON)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC001226497032 1301436131 /nfs/dbraw/zinc/43/61/31/1301436131.db2.gz LDSJXFASHQTKNY-ZUZCIYMTSA-N -1 1 345.351 2.462 20 0 EEADMM C[C@H](c1ccccn1)N1CC[C@@H](Oc2[n-]c(=O)nc3ncsc32)C1 ZINC001227610954 1301908844 /nfs/dbraw/zinc/90/88/44/1301908844.db2.gz NHRNUTOVWFMLQF-GHMZBOCLSA-N -1 1 343.412 2.401 20 0 EEADMM COC(=O)[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccc(F)cc1 ZINC001227712161 1301938577 /nfs/dbraw/zinc/93/85/77/1301938577.db2.gz KFTSDKFIGYTYQQ-ISVAXAHUSA-N -1 1 334.303 2.206 20 0 EEADMM CC[C@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2ccccc21 ZINC001103068948 1302158542 /nfs/dbraw/zinc/15/85/42/1302158542.db2.gz MAWNPXSEOWMQHR-GFCCVEGCSA-N -1 1 337.383 2.351 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])Nc1ncnc2ccccc21 ZINC001103068949 1302158859 /nfs/dbraw/zinc/15/88/59/1302158859.db2.gz MAWNPXSEOWMQHR-LBPRGKRZSA-N -1 1 337.383 2.351 20 0 EEADMM 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/nfs/dbraw/zinc/57/08/10/1350570810.db2.gz NJQYVEHPKGSKBZ-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM O=C([O-])[C@H](O)C1CCN(CCc2ccccc2Br)CC1 ZINC001608559129 1351715938 /nfs/dbraw/zinc/71/59/38/1351715938.db2.gz YZNKQOLOBFLEAN-CQSZACIVSA-N -1 1 342.233 2.149 20 0 EEADMM O=C([O-])[C@@H](c1ccccc1Br)N1CCc2cn[nH]c2C1 ZINC001608561965 1351716261 /nfs/dbraw/zinc/71/62/61/1351716261.db2.gz OWGFWNIAAQXXHY-CYBMUJFWSA-N -1 1 336.189 2.356 20 0 EEADMM CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001604344026 1350920149 /nfs/dbraw/zinc/92/01/49/1350920149.db2.gz NAVUZJWXULNAIB-WFASDCNBSA-N -1 1 329.404 2.345 20 0 EEADMM COc1cccc(CCNc2nc(Cl)c(-c3nnn[n-]3)s2)n1 ZINC001605317118 1351134605 /nfs/dbraw/zinc/13/46/05/1351134605.db2.gz RKLOGFRXKNIJFZ-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM COc1cccc(CCNc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001605317118 1351134608 /nfs/dbraw/zinc/13/46/08/1351134608.db2.gz RKLOGFRXKNIJFZ-UHFFFAOYSA-N -1 1 337.796 2.035 20 0 EEADMM Cc1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)s1 ZINC001605854708 1351238237 /nfs/dbraw/zinc/23/82/37/1351238237.db2.gz UJWURJNGSYGZEQ-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Cc1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)s1 ZINC001605854708 1351238241 /nfs/dbraw/zinc/23/82/41/1351238241.db2.gz UJWURJNGSYGZEQ-UHFFFAOYSA-N -1 1 335.339 2.445 20 0 EEADMM Fc1c(Br)ccc(Cn2ccnc2-c2nnn[n-]2)c1F ZINC001606304075 1351290719 /nfs/dbraw/zinc/29/07/19/1351290719.db2.gz NVXVFYHZAVNEJJ-UHFFFAOYSA-N -1 1 341.119 2.152 20 0 EEADMM Fc1c(Br)ccc(Cn2ccnc2-c2nn[n-]n2)c1F ZINC001606304075 1351290720 /nfs/dbraw/zinc/29/07/20/1351290720.db2.gz NVXVFYHZAVNEJJ-UHFFFAOYSA-N -1 1 341.119 2.152 20 0 EEADMM Cc1sc2nc([C@H](C)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)nc(N)c2c1C ZINC001608074634 1351619432 /nfs/dbraw/zinc/61/94/32/1351619432.db2.gz IDVVANVHGMMMCM-QAHWYCSRSA-N -1 1 332.429 2.214 20 0 EEADMM Cn1cc([C@H](NCc2cc(C(=O)[O-])cs2)C2(CO)CCC2)cn1 ZINC001608105821 1351626021 /nfs/dbraw/zinc/62/60/21/1351626021.db2.gz JQOUJWWLVGPPIX-AWEZNQCLSA-N -1 1 335.429 2.173 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)c2ccccc21 ZINC001608644357 1351732409 /nfs/dbraw/zinc/73/24/09/1351732409.db2.gz ONYPJSGETCRIRD-CQSZACIVSA-N -1 1 334.335 2.300 20 0 EEADMM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1c[n-][nH]c1=O)C(C)(C)C ZINC001413846456 1331868077 /nfs/dbraw/zinc/86/80/77/1331868077.db2.gz MOVPDYNJFHKDHP-SNVBAGLBSA-N -1 1 326.397 2.383 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC001608717579 1351748219 /nfs/dbraw/zinc/74/82/19/1351748219.db2.gz HLJMPTAPALDMGK-GFCCVEGCSA-N -1 1 343.383 2.397 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)[C@H]2NCCc3ccccc32)cc1 ZINC001608731622 1351751311 /nfs/dbraw/zinc/75/13/11/1351751311.db2.gz DZJVBIJBCILNLW-SFHVURJKSA-N -1 1 340.379 2.366 20 0 EEADMM O=C([O-])c1cc(CNCCCOc2cccc3cccnc32)on1 ZINC001608844281 1351777058 /nfs/dbraw/zinc/77/70/58/1351777058.db2.gz ZXLYDTIXCVAGTE-UHFFFAOYSA-N -1 1 327.340 2.480 20 0 EEADMM O=C([O-])c1cc(CNC[C@@H](O)c2ccccc2C(F)(F)F)on1 ZINC001608844061 1351777075 /nfs/dbraw/zinc/77/70/75/1351777075.db2.gz QWFOHXQDHNVCPL-GFCCVEGCSA-N -1 1 330.262 2.215 20 0 EEADMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001320585239 1332915803 /nfs/dbraw/zinc/91/58/03/1332915803.db2.gz QUARTWUTZXQAKD-IONNQARKSA-N -1 1 327.233 2.074 20 0 EEADMM CC(C)Oc1cccc([C@H](O)CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609103316 1351844511 /nfs/dbraw/zinc/84/45/11/1351844511.db2.gz FQTQBFJUDRXLQZ-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1cccc([C@H](O)CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609103316 1351844513 /nfs/dbraw/zinc/84/45/13/1351844513.db2.gz FQTQBFJUDRXLQZ-OAHLLOKOSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)c1ccc(SCC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001609104878 1351844603 /nfs/dbraw/zinc/84/46/03/1351844603.db2.gz UNUHZKGJXYKWGM-UHFFFAOYSA-N -1 1 343.416 2.201 20 0 EEADMM CC(C)Oc1nnc(SCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001609103746 1351844613 /nfs/dbraw/zinc/84/46/13/1351844613.db2.gz PRUWEVYXHZMHET-UHFFFAOYSA-N -1 1 341.447 2.254 20 0 EEADMM CC(C)Oc1nnc(SCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001609103746 1351844616 /nfs/dbraw/zinc/84/46/16/1351844616.db2.gz PRUWEVYXHZMHET-UHFFFAOYSA-N -1 1 341.447 2.254 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccnc(-c3nnn[n-]3)c2)c(F)c1 ZINC001609103371 1351844646 /nfs/dbraw/zinc/84/46/46/1351844646.db2.gz KQAYZQBSYQZKGM-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM CC(C)Oc1ccc(NC(=O)c2ccnc(-c3nn[n-]n3)c2)c(F)c1 ZINC001609103371 1351844648 /nfs/dbraw/zinc/84/46/48/1351844648.db2.gz KQAYZQBSYQZKGM-UHFFFAOYSA-N -1 1 342.334 2.440 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001609127962 1351853552 /nfs/dbraw/zinc/85/35/52/1351853552.db2.gz BMRVPNFGCLPVIO-SFYZADRCSA-N -1 1 328.829 2.106 20 0 EEADMM C[C@@H](O)C[C@@H]1CCCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001609127962 1351853554 /nfs/dbraw/zinc/85/35/54/1351853554.db2.gz BMRVPNFGCLPVIO-SFYZADRCSA-N -1 1 328.829 2.106 20 0 EEADMM CCOCC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324939322 1333791734 /nfs/dbraw/zinc/79/17/34/1333791734.db2.gz HHMXDGXLAMLJLS-UHFFFAOYSA-N -1 1 327.233 2.482 20 0 EEADMM CCC(C)(C)NC(=O)[C@@H](C)SCc1nc(-c2nnn[n-]2)cs1 ZINC001609182727 1351879478 /nfs/dbraw/zinc/87/94/78/1351879478.db2.gz OLJDKQKAHRGFSR-MRVPVSSYSA-N -1 1 340.478 2.250 20 0 EEADMM CCC(C)(C)NC(=O)[C@@H](C)SCc1nc(-c2nn[n-]n2)cs1 ZINC001609182727 1351879479 /nfs/dbraw/zinc/87/94/79/1351879479.db2.gz OLJDKQKAHRGFSR-MRVPVSSYSA-N -1 1 340.478 2.250 20 0 EEADMM CCC1(CNC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001609197561 1351886596 /nfs/dbraw/zinc/88/65/96/1351886596.db2.gz IOCDCPNNUICNOK-UHFFFAOYSA-N -1 1 340.309 2.201 20 0 EEADMM CCC1(O)CCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)n2)CC1 ZINC001609198104 1351886995 /nfs/dbraw/zinc/88/69/95/1351886995.db2.gz KPJOPLUECLUDHP-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM CCC1(O)CCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)n2)CC1 ZINC001609198104 1351886996 /nfs/dbraw/zinc/88/69/96/1351886996.db2.gz KPJOPLUECLUDHP-UHFFFAOYSA-N -1 1 342.325 2.022 20 0 EEADMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001328708916 1334504760 /nfs/dbraw/zinc/50/47/60/1334504760.db2.gz SRWOYZPKCCOKGI-QMMMGPOBSA-N -1 1 339.244 2.482 20 0 EEADMM C[C@@]12CN(C(=O)c3cccc(F)c3-c3nnn[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375808 1351951394 /nfs/dbraw/zinc/95/13/94/1351951394.db2.gz UAFQRJQEHCMSHZ-VNKCHVJCSA-N -1 1 339.374 2.290 20 0 EEADMM C[C@@]12CN(C(=O)c3cccc(F)c3-c3nn[n-]n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375808 1351951399 /nfs/dbraw/zinc/95/13/99/1351951399.db2.gz UAFQRJQEHCMSHZ-VNKCHVJCSA-N -1 1 339.374 2.290 20 0 EEADMM Cc1cc(Cl)ccc1NC(=O)COc1cccnc1-c1nnn[n-]1 ZINC001609403881 1351962396 /nfs/dbraw/zinc/96/23/96/1351962396.db2.gz ONUXWQDAGVRJCE-UHFFFAOYSA-N -1 1 344.762 2.241 20 0 EEADMM Cc1cc(Cl)ccc1NC(=O)COc1cccnc1-c1nn[n-]n1 ZINC001609403881 1351962399 /nfs/dbraw/zinc/96/23/99/1351962399.db2.gz ONUXWQDAGVRJCE-UHFFFAOYSA-N -1 1 344.762 2.241 20 0 EEADMM Cc1ccc(Oc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c[n+]1[O-] ZINC001609427709 1351972654 /nfs/dbraw/zinc/97/26/54/1351972654.db2.gz BCTPHBQTRLGFIO-UHFFFAOYSA-N -1 1 338.249 2.015 20 0 EEADMM Cc1[nH]nc(NCc2ccc(OCC(F)F)cc2)c1-c1nnn[n-]1 ZINC001609444820 1351980957 /nfs/dbraw/zinc/98/09/57/1351980957.db2.gz ULOGCEKTGYDQFW-UHFFFAOYSA-N -1 1 335.318 2.154 20 0 EEADMM Cc1[nH]nc(NCc2ccc(OCC(F)F)cc2)c1-c1nn[n-]n1 ZINC001609444820 1351980958 /nfs/dbraw/zinc/98/09/58/1351980958.db2.gz ULOGCEKTGYDQFW-UHFFFAOYSA-N -1 1 335.318 2.154 20 0 EEADMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1-c1nn[nH]n1 ZINC001609447877 1351981425 /nfs/dbraw/zinc/98/14/25/1351981425.db2.gz FYXSHFJYUSBSGB-UHFFFAOYSA-N -1 1 330.735 2.181 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1-c1nnn[n-]1 ZINC001609465697 1351988143 /nfs/dbraw/zinc/98/81/43/1351988143.db2.gz OSJJIZCDCFKYMT-VDTYLAMSSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1nsc(NC(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c1-c1nn[n-]n1 ZINC001609465697 1351988146 /nfs/dbraw/zinc/98/81/46/1351988146.db2.gz OSJJIZCDCFKYMT-VDTYLAMSSA-N -1 1 345.392 2.122 20 0 EEADMM Cc1nsc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nnn[n-]1 ZINC001609465295 1351988165 /nfs/dbraw/zinc/98/81/65/1351988165.db2.gz KLKJJMREAVSRHS-UHFFFAOYSA-N -1 1 344.404 2.196 20 0 EEADMM Cc1nsc(NC(=O)c2ccn(C3CCCC3)n2)c1-c1nn[n-]n1 ZINC001609465295 1351988166 /nfs/dbraw/zinc/98/81/66/1351988166.db2.gz KLKJJMREAVSRHS-UHFFFAOYSA-N -1 1 344.404 2.196 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001609469989 1351989391 /nfs/dbraw/zinc/98/93/91/1351989391.db2.gz UUDNWAFJIXMWDV-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Cc1oc2ccccc2c1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001609469989 1351989395 /nfs/dbraw/zinc/98/93/95/1351989395.db2.gz UUDNWAFJIXMWDV-UHFFFAOYSA-N -1 1 334.339 2.246 20 0 EEADMM Clc1ccc2c(ccn2CCNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001609473448 1351990895 /nfs/dbraw/zinc/99/08/95/1351990895.db2.gz LRSMHTCWWLKZKM-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM Clc1ccc2c(ccn2CCNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001609473448 1351990896 /nfs/dbraw/zinc/99/08/96/1351990896.db2.gz LRSMHTCWWLKZKM-UHFFFAOYSA-N -1 1 340.778 2.377 20 0 EEADMM O=C(Nc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001609570768 1352019671 /nfs/dbraw/zinc/01/96/71/1352019671.db2.gz XKLRIWCHQZDNCD-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(Nc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC001609570768 1352019673 /nfs/dbraw/zinc/01/96/73/1352019673.db2.gz XKLRIWCHQZDNCD-UHFFFAOYSA-N -1 1 337.368 2.366 20 0 EEADMM O=C(OCc1nc(-c2nnn[n-]2)cs1)C1(c2ccccc2)CCC1 ZINC001609578569 1352024514 /nfs/dbraw/zinc/02/45/14/1352024514.db2.gz PCXJYXQCKHREDC-UHFFFAOYSA-N -1 1 341.396 2.488 20 0 EEADMM O=C(OCc1nc(-c2nn[n-]n2)cs1)C1(c2ccccc2)CCC1 ZINC001609578569 1352024518 /nfs/dbraw/zinc/02/45/18/1352024518.db2.gz PCXJYXQCKHREDC-UHFFFAOYSA-N -1 1 341.396 2.488 20 0 EEADMM CN(C(=O)CCCCc1ccc(Br)cc1)c1nn[n-]n1 ZINC001333646141 1336095367 /nfs/dbraw/zinc/09/53/67/1336095367.db2.gz AJCZIVBKOQCUOW-UHFFFAOYSA-N -1 1 338.209 2.338 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)[C@H]3CCC[C@@H]23)cc1 ZINC001609617084 1352040564 /nfs/dbraw/zinc/04/05/64/1352040564.db2.gz UQIYVYIWILVEKG-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM c1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)[C@H]3CCC[C@@H]23)cc1 ZINC001609617084 1352040567 /nfs/dbraw/zinc/04/05/67/1352040567.db2.gz UQIYVYIWILVEKG-DZKIICNBSA-N -1 1 333.399 2.429 20 0 EEADMM CC(=O)OC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001609626757 1352044868 /nfs/dbraw/zinc/04/48/68/1352044868.db2.gz RCJMJGMNHIGGOM-UHFFFAOYSA-N -1 1 341.791 2.445 20 0 EEADMM CC(C)C[C@H](CN1CC[C@](F)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001609692247 1352060811 /nfs/dbraw/zinc/06/08/11/1352060811.db2.gz KZZJMWBRSDLBHQ-MLGOLLRUSA-N -1 1 332.416 2.424 20 0 EEADMM C[C@]1(C(=O)[O-])CCCN(CN2C[C@H](c3cccc(F)c3)CC2=O)C1 ZINC001609811299 1352091106 /nfs/dbraw/zinc/09/11/06/1352091106.db2.gz NZCNKUXVCPOKQC-KDOFPFPSSA-N -1 1 334.391 2.286 20 0 EEADMM CC1(C)Cc2cccc(CN3CC[C@@H](n4cc(C(=O)[O-])nn4)C3)c2O1 ZINC001609820173 1352093171 /nfs/dbraw/zinc/09/31/71/1352093171.db2.gz GHSTVOWGSNBKHH-CQSZACIVSA-N -1 1 342.399 2.137 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CCSc1ccccc1 ZINC001609869750 1352107454 /nfs/dbraw/zinc/10/74/54/1352107454.db2.gz XZQQELQOEYSLRO-AWEZNQCLSA-N -1 1 336.457 2.176 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001610017243 1352142090 /nfs/dbraw/zinc/14/20/90/1352142090.db2.gz HRMGMLXDQYCARX-STQMWFEESA-N -1 1 339.363 2.066 20 0 EEADMM CCc1[nH]c(C(=O)N2CCNC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001610053234 1352151114 /nfs/dbraw/zinc/15/11/14/1352151114.db2.gz UKBSHGURNRUNEK-OAHLLOKOSA-N -1 1 341.411 2.370 20 0 EEADMM Cn1cc(Br)c(C(=O)[N-]c2nc(-c3ccccc3)no2)n1 ZINC001610231464 1352191071 /nfs/dbraw/zinc/19/10/71/1352191071.db2.gz PEGCAGWTUAXTEG-UHFFFAOYSA-N -1 1 348.160 2.485 20 0 EEADMM COc1ccccc1CN(CCO)Cc1ccccc1CC(=O)[O-] ZINC001610366024 1352211552 /nfs/dbraw/zinc/21/15/52/1352211552.db2.gz SDLCRJXZJPOSTK-UHFFFAOYSA-N -1 1 329.396 2.317 20 0 EEADMM COC(=O)c1c[n-]c(SCc2ccc(OCC(F)(F)F)nn2)n1 ZINC000848433593 1338701066 /nfs/dbraw/zinc/70/10/66/1338701066.db2.gz CIHDGDFUFDFSOF-UHFFFAOYSA-N -1 1 348.306 2.220 20 0 EEADMM CCN(C[C@H]1CCCO1)c1nnc(-c2cc(Cl)ncc2[O-])n1C ZINC001355514140 1338725219 /nfs/dbraw/zinc/72/52/19/1338725219.db2.gz RGNUJXQEYKWDQX-SNVBAGLBSA-N -1 1 337.811 2.241 20 0 EEADMM Cc1[nH]nc(S(=O)(=O)Nc2c(C)cccc2Cl)c1C(=O)[O-] ZINC001610522970 1352238153 /nfs/dbraw/zinc/23/81/53/1352238153.db2.gz IHRVQUSDDQGUQL-UHFFFAOYSA-N -1 1 329.765 2.179 20 0 EEADMM Cc1cnn(C)c1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001610541290 1352241600 /nfs/dbraw/zinc/24/16/00/1352241600.db2.gz BQJAYRVLFFGERL-UHFFFAOYSA-N -1 1 337.401 2.351 20 0 EEADMM Cc1sc(NC(=O)CN2CCN(C)[C@@H](C)[C@H]2C)c(C(=O)[O-])c1C ZINC001610592121 1352250532 /nfs/dbraw/zinc/25/05/32/1352250532.db2.gz RUWONVBWVDBDJX-WDEREUQCSA-N -1 1 339.461 2.026 20 0 EEADMM NC(=O)NC1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001610638684 1352256862 /nfs/dbraw/zinc/25/68/62/1352256862.db2.gz WVGBMTLKJVFTCQ-GFCCVEGCSA-N -1 1 346.214 2.252 20 0 EEADMM CC(C)[C@@H](F)C(=O)NC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001428372637 1339483930 /nfs/dbraw/zinc/48/39/30/1339483930.db2.gz TUIUZCHSKIKFKG-QWHCGFSZSA-N -1 1 339.411 2.042 20 0 EEADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCc2n[nH]nc2C1 ZINC001610722245 1352265116 /nfs/dbraw/zinc/26/51/16/1352265116.db2.gz FTAWRSXEVCNIMR-LBPRGKRZSA-N -1 1 327.171 2.296 20 0 EEADMM O=C([O-])COc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001610786757 1352274348 /nfs/dbraw/zinc/27/43/48/1352274348.db2.gz OFXZOMXHSBXRLN-BPUTZDHNSA-N -1 1 333.384 2.368 20 0 EEADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC001610796070 1352276060 /nfs/dbraw/zinc/27/60/60/1352276060.db2.gz FGOXKZSFZFXFGY-UHFFFAOYSA-N -1 1 344.751 2.302 20 0 EEADMM O=C([O-])c1cccc2c1CN(C(=O)N[C@H]1CCCc3cn[nH]c31)CC2 ZINC001610850827 1352285541 /nfs/dbraw/zinc/28/55/41/1352285541.db2.gz TVUHFZYWERRADB-HNNXBMFYSA-N -1 1 340.383 2.253 20 0 EEADMM Cc1coc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC001611200949 1352296335 /nfs/dbraw/zinc/29/63/35/1352296335.db2.gz SAWUDZVTRUKPPX-GFCCVEGCSA-N -1 1 335.726 2.413 20 0 EEADMM CC[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)[C@H](C)c1ccccc1 ZINC001430562743 1340257425 /nfs/dbraw/zinc/25/74/25/1340257425.db2.gz JVGPTFHOUALHAK-HIFRSBDPSA-N -1 1 341.411 2.216 20 0 EEADMM CSc1nc(C)c(CCC(=O)N[C@H](C)c2c(C)n[nH]c2C)c(=O)[n-]1 ZINC001434051482 1341753906 /nfs/dbraw/zinc/75/39/06/1341753906.db2.gz NSVSGGAMYXFVNU-SECBINFHSA-N -1 1 349.460 2.362 20 0 EEADMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001434545204 1341869060 /nfs/dbraw/zinc/86/90/60/1341869060.db2.gz JKNOPXRFKLJLQN-LLVKDONJSA-N -1 1 343.836 2.426 20 0 EEADMM CC1(C)CO[C@H](CCC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575738098 1343865760 /nfs/dbraw/zinc/86/57/60/1343865760.db2.gz FYEZAGUSIYDLES-SNVBAGLBSA-N -1 1 335.433 2.140 20 0 EEADMM CCOC(=O)C(CC)(CC)CNc1cc(-c2nnn[n-]2)nc(CC)n1 ZINC001578242809 1344254888 /nfs/dbraw/zinc/25/48/88/1344254888.db2.gz PQGLFXBLNFDOCJ-UHFFFAOYSA-N -1 1 347.423 2.001 20 0 EEADMM CCOC(=O)C(CC)(CC)CNc1cc(-c2nn[n-]n2)nc(CC)n1 ZINC001578242809 1344254889 /nfs/dbraw/zinc/25/48/89/1344254889.db2.gz PQGLFXBLNFDOCJ-UHFFFAOYSA-N -1 1 347.423 2.001 20 0 EEADMM CCS[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001578417731 1344276869 /nfs/dbraw/zinc/27/68/69/1344276869.db2.gz WDNIZRLEBRVASC-LLVKDONJSA-N -1 1 325.463 2.322 20 0 EEADMM CN1CCc2ccc(Nc3cc(-c4nnn[n-]4)nc(C4CC4)n3)cc21 ZINC001579381195 1344377420 /nfs/dbraw/zinc/37/74/20/1344377420.db2.gz BMRKCAQTEGBSMY-UHFFFAOYSA-N -1 1 334.387 2.270 20 0 EEADMM CN1CCc2ccc(Nc3cc(-c4nn[n-]n4)nc(C4CC4)n3)cc21 ZINC001579381195 1344377427 /nfs/dbraw/zinc/37/74/27/1344377427.db2.gz BMRKCAQTEGBSMY-UHFFFAOYSA-N -1 1 334.387 2.270 20 0 EEADMM COC(=O)c1cc(CSc2cccnc2-c2nnn[n-]2)c(C)o1 ZINC001579478755 1344387036 /nfs/dbraw/zinc/38/70/36/1344387036.db2.gz SMMQBROZGZYLNR-UHFFFAOYSA-N -1 1 331.357 2.242 20 0 EEADMM COC(=O)c1cc(CSc2cccnc2-c2nn[n-]n2)c(C)o1 ZINC001579478755 1344387041 /nfs/dbraw/zinc/38/70/41/1344387041.db2.gz SMMQBROZGZYLNR-UHFFFAOYSA-N -1 1 331.357 2.242 20 0 EEADMM CO[C@@H](Cn1ccc(-c2nn[n-]n2)cc1=O)c1ccc(Cl)cc1 ZINC001579596945 1344398590 /nfs/dbraw/zinc/39/85/90/1344398590.db2.gz ZKVRDNLKHFXQEV-ZDUSSCGKSA-N -1 1 331.763 2.070 20 0 EEADMM COc1cccc(CN(C)C(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001580066273 1344462212 /nfs/dbraw/zinc/46/22/12/1344462212.db2.gz QOYIJEKVAQJQRM-UHFFFAOYSA-N -1 1 329.385 2.209 20 0 EEADMM Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001581215298 1344599964 /nfs/dbraw/zinc/59/99/64/1344599964.db2.gz VGEVEARPAJEYKT-UHFFFAOYSA-N -1 1 339.384 2.043 20 0 EEADMM O=C(CCc1ccc(Cl)cc1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582060079 1344696541 /nfs/dbraw/zinc/69/65/41/1344696541.db2.gz QKIKXVKXFUDPRS-UHFFFAOYSA-N -1 1 342.790 2.164 20 0 EEADMM O=C(CCc1ccc(Cl)cc1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582060079 1344696544 /nfs/dbraw/zinc/69/65/44/1344696544.db2.gz QKIKXVKXFUDPRS-UHFFFAOYSA-N -1 1 342.790 2.164 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1cccc(F)c1Cl ZINC001582558588 1344762866 /nfs/dbraw/zinc/76/28/66/1344762866.db2.gz FHYDWEKDNGUTMH-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1cccc(F)c1Cl ZINC001582558588 1344762867 /nfs/dbraw/zinc/76/28/67/1344762867.db2.gz FHYDWEKDNGUTMH-UHFFFAOYSA-N -1 1 338.755 2.046 20 0 EEADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1C(F)F ZINC001582558761 1344763509 /nfs/dbraw/zinc/76/35/09/1344763509.db2.gz HYWIFVKIIZCXTK-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1C(F)F ZINC001582558761 1344763514 /nfs/dbraw/zinc/76/35/14/1344763514.db2.gz HYWIFVKIIZCXTK-UHFFFAOYSA-N -1 1 336.327 2.191 20 0 EEADMM O=C(Nc1ccc(OC(F)F)nc1)c1ccsc1-c1nnn[n-]1 ZINC001582641644 1344775988 /nfs/dbraw/zinc/77/59/88/1344775988.db2.gz IBKNPSGGHGXRKR-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=C(Nc1ccc(OC(F)F)nc1)c1ccsc1-c1nn[n-]n1 ZINC001582641644 1344775991 /nfs/dbraw/zinc/77/59/91/1344775991.db2.gz IBKNPSGGHGXRKR-UHFFFAOYSA-N -1 1 338.299 2.177 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(CCCc2cccnc2)c2ccccc21 ZINC001582805880 1344794706 /nfs/dbraw/zinc/79/47/06/1344794706.db2.gz ANBHMMFZAHEWCS-UHFFFAOYSA-N -1 1 332.367 2.209 20 0 EEADMM Cc1nocc1[N-]C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC001586345147 1348849786 /nfs/dbraw/zinc/84/97/86/1348849786.db2.gz CPDHUQIGTNVYCI-UHFFFAOYSA-N -1 1 338.249 2.230 20 0 EEADMM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2nn[n-]n2)o1 ZINC001587339528 1348860445 /nfs/dbraw/zinc/86/04/45/1348860445.db2.gz IWIISYWDFLNCPI-UHFFFAOYSA-N -1 1 349.354 2.230 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001588770368 1348932779 /nfs/dbraw/zinc/93/27/79/1348932779.db2.gz KXUPKIUCHDEHGL-GXDHUFHOSA-N -1 1 348.410 2.366 20 0 EEADMM C/C(=C\c1ccccc1)CN(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001588770368 1348932783 /nfs/dbraw/zinc/93/27/83/1348932783.db2.gz KXUPKIUCHDEHGL-GXDHUFHOSA-N -1 1 348.410 2.366 20 0 EEADMM C[C@@H](C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001588960292 1348950430 /nfs/dbraw/zinc/95/04/30/1348950430.db2.gz RPKXZPYYLDQHPX-LLVKDONJSA-N -1 1 346.460 2.013 20 0 EEADMM C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1ccsc1 ZINC001589011873 1348952175 /nfs/dbraw/zinc/95/21/75/1348952175.db2.gz PQSSIPJIFLXBHP-ZETCQYMHSA-N -1 1 329.389 2.271 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001589193474 1348968816 /nfs/dbraw/zinc/96/88/16/1348968816.db2.gz WDERDWJRHLGQED-VXGBXAGGSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)(C)O[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001589193474 1348968818 /nfs/dbraw/zinc/96/88/18/1348968818.db2.gz WDERDWJRHLGQED-VXGBXAGGSA-N -1 1 329.408 2.195 20 0 EEADMM CC(C)CCOC1CCN(C(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001589607344 1349009067 /nfs/dbraw/zinc/00/90/67/1349009067.db2.gz SXAATETWEMUPCA-UHFFFAOYSA-N -1 1 333.392 2.127 20 0 EEADMM CC(C)CCOC1CCN(C(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001589607344 1349009072 /nfs/dbraw/zinc/00/90/72/1349009072.db2.gz SXAATETWEMUPCA-UHFFFAOYSA-N -1 1 333.392 2.127 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1 ZINC001589793200 1349044489 /nfs/dbraw/zinc/04/44/89/1349044489.db2.gz QEBNJPBVMFKYQU-VIFPVBQESA-N -1 1 346.391 2.272 20 0 EEADMM C[C@@H](CC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1 ZINC001589793200 1349044493 /nfs/dbraw/zinc/04/44/93/1349044493.db2.gz QEBNJPBVMFKYQU-VIFPVBQESA-N -1 1 346.391 2.272 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001589801791 1349047155 /nfs/dbraw/zinc/04/71/55/1349047155.db2.gz ADIZIYLHIUFDKI-NKWVEPMBSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](C[C@@H](O)c1ccco1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589801791 1349047160 /nfs/dbraw/zinc/04/71/60/1349047160.db2.gz ADIZIYLHIUFDKI-NKWVEPMBSA-N -1 1 340.796 2.494 20 0 EEADMM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001589902636 1349058496 /nfs/dbraw/zinc/05/84/96/1349058496.db2.gz RPDOTOUDCOJJKL-JTQLQIEISA-N -1 1 343.416 2.418 20 0 EEADMM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001589902636 1349058498 /nfs/dbraw/zinc/05/84/98/1349058498.db2.gz RPDOTOUDCOJJKL-JTQLQIEISA-N -1 1 343.416 2.418 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001589905591 1349059322 /nfs/dbraw/zinc/05/93/22/1349059322.db2.gz XZZXRRANHIEZQB-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM C[C@@H](Cc1nc2ccccc2s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001589905591 1349059326 /nfs/dbraw/zinc/05/93/26/1349059326.db2.gz XZZXRRANHIEZQB-VIFPVBQESA-N -1 1 338.400 2.310 20 0 EEADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ncc(-c2ccccc2)o1 ZINC001589992686 1349097355 /nfs/dbraw/zinc/09/73/55/1349097355.db2.gz ZGTJBTNHSQIRNE-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ncc(-c2ccccc2)o1 ZINC001589992686 1349097362 /nfs/dbraw/zinc/09/73/62/1349097362.db2.gz ZGTJBTNHSQIRNE-SNVBAGLBSA-N -1 1 334.343 2.485 20 0 EEADMM C[C@H](OCCCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001590017615 1349110549 /nfs/dbraw/zinc/11/05/49/1349110549.db2.gz YNRDVWATGAYTQB-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM C[C@H](OCCCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001590017615 1349110553 /nfs/dbraw/zinc/11/05/53/1349110553.db2.gz YNRDVWATGAYTQB-LBPRGKRZSA-N -1 1 325.376 2.237 20 0 EEADMM CC1(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CC1 ZINC001590056339 1349134435 /nfs/dbraw/zinc/13/44/35/1349134435.db2.gz HRBMIJKVMAPXLN-UHFFFAOYSA-N -1 1 343.774 2.204 20 0 EEADMM C[C@@]1(CC(=O)OCc2ccc(-c3nnn[n-]3)o2)CC1(Cl)Cl ZINC001590123902 1349164040 /nfs/dbraw/zinc/16/40/40/1349164040.db2.gz ZDYXXFURVPFGMQ-LLVKDONJSA-N -1 1 331.159 2.477 20 0 EEADMM C[C@@]1(CC(=O)OCc2ccc(-c3nn[n-]n3)o2)CC1(Cl)Cl ZINC001590123902 1349164054 /nfs/dbraw/zinc/16/40/54/1349164054.db2.gz ZDYXXFURVPFGMQ-LLVKDONJSA-N -1 1 331.159 2.477 20 0 EEADMM C[C@H]1C(=O)CC[C@@H](C(=O)OCc2nc(-c3nnn[n-]3)cs2)C1(C)C ZINC001590163240 1349180886 /nfs/dbraw/zinc/18/08/86/1349180886.db2.gz HNDGVYIKCODXTC-IUCAKERBSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@H]1C(=O)CC[C@@H](C(=O)OCc2nc(-c3nn[n-]n3)cs2)C1(C)C ZINC001590163240 1349180892 /nfs/dbraw/zinc/18/08/92/1349180892.db2.gz HNDGVYIKCODXTC-IUCAKERBSA-N -1 1 349.416 2.008 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@@H]21 ZINC001590293080 1349248973 /nfs/dbraw/zinc/24/89/73/1349248973.db2.gz BPYSXNGNHWAOSO-NQBHXWOUSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@@H]21 ZINC001590293080 1349248974 /nfs/dbraw/zinc/24/89/74/1349248974.db2.gz BPYSXNGNHWAOSO-NQBHXWOUSA-N -1 1 327.392 2.304 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001590335191 1349271435 /nfs/dbraw/zinc/27/14/35/1349271435.db2.gz DTWKFEQSMNRESU-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001590335191 1349271438 /nfs/dbraw/zinc/27/14/38/1349271438.db2.gz DTWKFEQSMNRESU-JTQLQIEISA-N -1 1 338.346 2.160 20 0 EEADMM C/C=C\C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nnn[n-]2)C1 ZINC001590356131 1349281326 /nfs/dbraw/zinc/28/13/26/1349281326.db2.gz XUEMJKFGOOXQSS-MVZIDQBPSA-N -1 1 342.403 2.231 20 0 EEADMM C/C=C\C[C@H]1CCCN(c2ccc(C(=O)OC)nc2-c2nn[n-]n2)C1 ZINC001590356131 1349281330 /nfs/dbraw/zinc/28/13/30/1349281330.db2.gz XUEMJKFGOOXQSS-MVZIDQBPSA-N -1 1 342.403 2.231 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001590356354 1349282716 /nfs/dbraw/zinc/28/27/16/1349282716.db2.gz YQJPBOCJZPGVES-JDGPPOGSSA-N -1 1 327.392 2.472 20 0 EEADMM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001590356354 1349282721 /nfs/dbraw/zinc/28/27/21/1349282721.db2.gz YQJPBOCJZPGVES-JDGPPOGSSA-N -1 1 327.392 2.472 20 0 EEADMM CC[C@H](C)CN(C)c1nnc(-c2coc(-c3nnn[n-]3)c2)n1CC ZINC001590408704 1349311390 /nfs/dbraw/zinc/31/13/90/1349311390.db2.gz BJFSKXDJLUMYTG-JTQLQIEISA-N -1 1 330.396 2.220 20 0 EEADMM CC[C@H](C)CN(C)c1nnc(-c2coc(-c3nn[n-]n3)c2)n1CC ZINC001590408704 1349311396 /nfs/dbraw/zinc/31/13/96/1349311396.db2.gz BJFSKXDJLUMYTG-JTQLQIEISA-N -1 1 330.396 2.220 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1nc(C)cs1 ZINC001590460324 1349337746 /nfs/dbraw/zinc/33/77/46/1349337746.db2.gz SYQKJEDNGQGQNN-JTQLQIEISA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1nc(C)cs1 ZINC001590460324 1349337750 /nfs/dbraw/zinc/33/77/50/1349337750.db2.gz SYQKJEDNGQGQNN-JTQLQIEISA-N -1 1 332.389 2.414 20 0 EEADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)ncn1)c1cccc(OC)c1OC ZINC001590471619 1349346202 /nfs/dbraw/zinc/34/62/02/1349346202.db2.gz KHCUEPJVGPRTKG-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)ncn1)c1cccc(OC)c1OC ZINC001590471619 1349346205 /nfs/dbraw/zinc/34/62/05/1349346205.db2.gz KHCUEPJVGPRTKG-LLVKDONJSA-N -1 1 341.375 2.237 20 0 EEADMM CCN(C)c1ccccc1CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001590678931 1349387206 /nfs/dbraw/zinc/38/72/06/1349387206.db2.gz IHJXAFIHWVPZHI-UHFFFAOYSA-N -1 1 342.428 2.314 20 0 EEADMM CCO[C@H](Cn1cc(-c2nn[n-]n2)c2ccsc2c1=O)C1CC1 ZINC001590785311 1349398288 /nfs/dbraw/zinc/39/82/88/1349398288.db2.gz NGVHIBUFKZLGCP-GFCCVEGCSA-N -1 1 331.401 2.058 20 0 EEADMM CCc1nc(NCC[C@H](OC)C(CC)CC)cc(-c2nnn[n-]2)n1 ZINC001590919588 1349412151 /nfs/dbraw/zinc/41/21/51/1349412151.db2.gz NFJSWANEWDPWRL-ZDUSSCGKSA-N -1 1 333.440 2.472 20 0 EEADMM CCc1nc(NCC[C@H](OC)C(CC)CC)cc(-c2nn[n-]n2)n1 ZINC001590919588 1349412154 /nfs/dbraw/zinc/41/21/54/1349412154.db2.gz NFJSWANEWDPWRL-ZDUSSCGKSA-N -1 1 333.440 2.472 20 0 EEADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC001591354855 1349469805 /nfs/dbraw/zinc/46/98/05/1349469805.db2.gz LGIKGSLNDOEXOP-ZYHUDNBSSA-N -1 1 331.376 2.106 20 0 EEADMM CO[C@@H]1CCOc2c(NCc3nc(-c4nnn[n-]4)cs3)cccc21 ZINC001591363252 1349473495 /nfs/dbraw/zinc/47/34/95/1349473495.db2.gz UERQVYMIEHFKMU-GFCCVEGCSA-N -1 1 344.400 2.405 20 0 EEADMM CO[C@@H]1CCOc2c(NCc3nc(-c4nn[n-]n4)cs3)cccc21 ZINC001591363252 1349473499 /nfs/dbraw/zinc/47/34/99/1349473499.db2.gz UERQVYMIEHFKMU-GFCCVEGCSA-N -1 1 344.400 2.405 20 0 EEADMM COC[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001591382514 1349476789 /nfs/dbraw/zinc/47/67/89/1349476789.db2.gz UJEBUJKDYPTDSQ-GFCCVEGCSA-N -1 1 347.375 2.185 20 0 EEADMM COc1c(C)cnc(COC(=O)c2ccsc2-c2nnn[n-]2)c1C ZINC001591478977 1349489970 /nfs/dbraw/zinc/48/99/70/1349489970.db2.gz JIZBIISCCATWFZ-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1c(C)cnc(COC(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001591478977 1349489975 /nfs/dbraw/zinc/48/99/75/1349489975.db2.gz JIZBIISCCATWFZ-UHFFFAOYSA-N -1 1 345.384 2.306 20 0 EEADMM COc1ccc(Cl)cc1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001591604988 1349512921 /nfs/dbraw/zinc/51/29/21/1349512921.db2.gz UVUIMZAAUSAFET-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1ccc(Cl)cc1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001591604988 1349512931 /nfs/dbraw/zinc/51/29/31/1349512931.db2.gz UVUIMZAAUSAFET-UHFFFAOYSA-N -1 1 331.767 2.239 20 0 EEADMM COc1ccccc1CCCOC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591648415 1349525041 /nfs/dbraw/zinc/52/50/41/1349525041.db2.gz MHLDFPTYHDUECS-UHFFFAOYSA-N -1 1 328.328 2.258 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001591718502 1349534884 /nfs/dbraw/zinc/53/48/84/1349534884.db2.gz ZRNZJGGBFDCREQ-QMMMGPOBSA-N -1 1 330.417 2.095 20 0 EEADMM Cc1nnc(Sc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1C(C)C ZINC001592449807 1349633691 /nfs/dbraw/zinc/63/36/91/1349633691.db2.gz KRVDQSXCBLVYNS-UHFFFAOYSA-N -1 1 343.420 2.166 20 0 EEADMM Cc1nnc(Sc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1C(C)C ZINC001592449807 1349633693 /nfs/dbraw/zinc/63/36/93/1349633693.db2.gz KRVDQSXCBLVYNS-UHFFFAOYSA-N -1 1 343.420 2.166 20 0 EEADMM Cc1nsc(NC(=O)Nc2n[nH]c(C3CC3)c2C)c1-c1nnn[n-]1 ZINC001592483510 1349636431 /nfs/dbraw/zinc/63/64/31/1349636431.db2.gz MGRDYSOJTVLGTJ-UHFFFAOYSA-N -1 1 345.392 2.185 20 0 EEADMM Cc1nsc(NC(=O)Nc2n[nH]c(C3CC3)c2C)c1-c1nn[n-]n1 ZINC001592483510 1349636433 /nfs/dbraw/zinc/63/64/33/1349636433.db2.gz MGRDYSOJTVLGTJ-UHFFFAOYSA-N -1 1 345.392 2.185 20 0 EEADMM Cc1nsc(NC[C@@H](O)[C@@H](C)c2ccccc2)c1-c1nn[n-]n1 ZINC001592488030 1349636933 /nfs/dbraw/zinc/63/69/33/1349636933.db2.gz OPHKAZDXHFQIJW-JOYOIKCWSA-N -1 1 330.417 2.208 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCc1ccc(F)c(F)c1 ZINC001592502158 1349637999 /nfs/dbraw/zinc/63/79/99/1349637999.db2.gz YAXVWKAKXFGFLY-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCc1ccc(F)c(F)c1 ZINC001592502158 1349638000 /nfs/dbraw/zinc/63/80/00/1349638000.db2.gz YAXVWKAKXFGFLY-UHFFFAOYSA-N -1 1 333.298 2.019 20 0 EEADMM Clc1ccc(CN(c2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001592527636 1349647503 /nfs/dbraw/zinc/64/75/03/1349647503.db2.gz CRWGHUNKDYOPAA-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(CN(c2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001592527636 1349647504 /nfs/dbraw/zinc/64/75/04/1349647504.db2.gz CRWGHUNKDYOPAA-UHFFFAOYSA-N -1 1 327.779 2.479 20 0 EEADMM Clc1ccc(N2CCC[C@H](OCC3CC3)C2)nc1-c1nnn[n-]1 ZINC001592531961 1349648998 /nfs/dbraw/zinc/64/89/98/1349648998.db2.gz CZCYPXZUUZJZBW-NSHDSACASA-N -1 1 334.811 2.311 20 0 EEADMM Clc1ccc(N2CCC[C@H](OCC3CC3)C2)nc1-c1nn[n-]n1 ZINC001592531961 1349649000 /nfs/dbraw/zinc/64/90/00/1349649000.db2.gz CZCYPXZUUZJZBW-NSHDSACASA-N -1 1 334.811 2.311 20 0 EEADMM Clc1nc(N2CCC[C@]3(CCCOC3)C2)sc1-c1nnn[n-]1 ZINC001592541219 1349654350 /nfs/dbraw/zinc/65/43/50/1349654350.db2.gz WPKSWWSOUHQANH-ZDUSSCGKSA-N -1 1 340.840 2.374 20 0 EEADMM Clc1nc(N2CCC[C@]3(CCCOC3)C2)sc1-c1nn[n-]n1 ZINC001592541219 1349654352 /nfs/dbraw/zinc/65/43/52/1349654352.db2.gz WPKSWWSOUHQANH-ZDUSSCGKSA-N -1 1 340.840 2.374 20 0 EEADMM Cn1ncc(Nc2nc(Cl)c(-c3nnn[n-]3)s2)c1C(F)F ZINC001592602845 1349668475 /nfs/dbraw/zinc/66/84/75/1349668475.db2.gz WXYCYVIVSMSDFW-UHFFFAOYSA-N -1 1 332.727 2.391 20 0 EEADMM Cn1nccc1CNc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001592607894 1349669627 /nfs/dbraw/zinc/66/96/27/1349669627.db2.gz UHTZWTCLBQRPOD-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM Cn1nccc1CNc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001592607894 1349669630 /nfs/dbraw/zinc/66/96/30/1349669630.db2.gz UHTZWTCLBQRPOD-UHFFFAOYSA-N -1 1 348.370 2.400 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CO[C@H](C3CC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618709 1349673194 /nfs/dbraw/zinc/67/31/94/1349673194.db2.gz WCFHOCHCSLDMAS-KOLCDFICSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cc(N[C@H]2CO[C@H](C3CC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618709 1349673205 /nfs/dbraw/zinc/67/32/05/1349673205.db2.gz WCFHOCHCSLDMAS-KOLCDFICSA-N -1 1 340.309 2.260 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(N2CCOC3(CCC3)C2)c1 ZINC001592622664 1349676134 /nfs/dbraw/zinc/67/61/34/1349676134.db2.gz SFEGUTKHWYSAKG-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(N2CCOC3(CCC3)C2)c1 ZINC001592622664 1349676136 /nfs/dbraw/zinc/67/61/36/1349676136.db2.gz SFEGUTKHWYSAKG-UHFFFAOYSA-N -1 1 340.309 2.040 20 0 EEADMM Fc1cccc([C@@H](Nc2ncncc2-c2nn[n-]n2)c2ccccn2)c1 ZINC001592655746 1349699809 /nfs/dbraw/zinc/69/98/09/1349699809.db2.gz VUMNFOQFKNYXOC-OAHLLOKOSA-N -1 1 348.345 2.392 20 0 EEADMM O=C(N[C@H](CO)CC1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC001592953794 1349729130 /nfs/dbraw/zinc/72/91/30/1349729130.db2.gz OHCBVWIHCZDEOT-LBPRGKRZSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(N[C@H](CO)CC1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC001592953794 1349729133 /nfs/dbraw/zinc/72/91/33/1349729133.db2.gz OHCBVWIHCZDEOT-LBPRGKRZSA-N -1 1 347.394 2.067 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC2(CC2)c2ccccc21 ZINC001593242975 1349748420 /nfs/dbraw/zinc/74/84/20/1349748420.db2.gz FTMVJFYMKQAOAY-UHFFFAOYSA-N -1 1 333.355 2.345 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC2(CC2)c2ccccc21 ZINC001593242975 1349748421 /nfs/dbraw/zinc/74/84/21/1349748421.db2.gz FTMVJFYMKQAOAY-UHFFFAOYSA-N -1 1 333.355 2.345 20 0 EEADMM O=C(Nc1cnn(C(F)F)c1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001593259194 1349753856 /nfs/dbraw/zinc/75/38/56/1349753856.db2.gz FYXJLXLMJKNYBO-UHFFFAOYSA-N -1 1 344.285 2.192 20 0 EEADMM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccc(-c2nn[n-]n2)o1 ZINC001593269670 1349757526 /nfs/dbraw/zinc/75/75/26/1349757526.db2.gz LOKCYYCHJKQTCU-UHFFFAOYSA-N -1 1 329.707 2.242 20 0 EEADMM O=C(O[C@@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001593280967 1349761075 /nfs/dbraw/zinc/76/10/75/1349761075.db2.gz QXENWMLNXDKUSO-GFCCVEGCSA-N -1 1 343.730 2.206 20 0 EEADMM O=C(OCc1noc(C2CCC2)n1)c1cccc(F)c1-c1nnn[n-]1 ZINC001593305991 1349774877 /nfs/dbraw/zinc/77/48/77/1349774877.db2.gz IRPSLIJMBRUQDI-UHFFFAOYSA-N -1 1 344.306 2.013 20 0 EEADMM O=C(OCc1noc(C2CCC2)n1)c1cccc(F)c1-c1nn[n-]n1 ZINC001593305991 1349774880 /nfs/dbraw/zinc/77/48/80/1349774880.db2.gz IRPSLIJMBRUQDI-UHFFFAOYSA-N -1 1 344.306 2.013 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(CC(F)(F)F)CC1 ZINC001593367752 1349791624 /nfs/dbraw/zinc/79/16/24/1349791624.db2.gz OMAGVLURNOGPCJ-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(CC(F)(F)F)CC1 ZINC001593367752 1349791627 /nfs/dbraw/zinc/79/16/27/1349791627.db2.gz OMAGVLURNOGPCJ-UHFFFAOYSA-N -1 1 329.282 2.264 20 0 EEADMM O=S(=O)(Oc1ccc2c(c1)CCC2)c1ccsc1-c1nn[n-]n1 ZINC001593448270 1349800751 /nfs/dbraw/zinc/80/07/51/1349800751.db2.gz MHUUPVCULQVALH-UHFFFAOYSA-N -1 1 348.409 2.185 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1ccc(Cl)c(F)c1)CCC2 ZINC001593491091 1349817487 /nfs/dbraw/zinc/81/74/87/1349817487.db2.gz WCEFPJAURURPKJ-UHFFFAOYSA-N -1 1 345.765 2.358 20 0 EEADMM O=c1c(-c2nn[n-]n2)c2c(cn1CCc1cccc(F)c1F)CCC2 ZINC001593492040 1349818042 /nfs/dbraw/zinc/81/80/42/1349818042.db2.gz IIKXHRHHHMAZIO-UHFFFAOYSA-N -1 1 343.337 2.038 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccc(Cl)cn1 ZINC001593494067 1349818908 /nfs/dbraw/zinc/81/89/08/1349818908.db2.gz ITWBDAWIIFIQHU-UHFFFAOYSA-N -1 1 338.758 2.278 20 0 EEADMM c1ccc2c(c1)N(Cc1cccc(-c3nnn[n-]3)n1)CCN2CC1CC1 ZINC001593555996 1349846371 /nfs/dbraw/zinc/84/63/71/1349846371.db2.gz YZJJUNMLQDEARL-UHFFFAOYSA-N -1 1 347.426 2.498 20 0 EEADMM c1ccc2c(c1)N(Cc1cccc(-c3nn[n-]n3)n1)CCN2CC1CC1 ZINC001593555996 1349846377 /nfs/dbraw/zinc/84/63/77/1349846377.db2.gz YZJJUNMLQDEARL-UHFFFAOYSA-N -1 1 347.426 2.498 20 0 EEADMM c1ccc([C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CCOCC2)cc1 ZINC001593571334 1349856868 /nfs/dbraw/zinc/85/68/68/1349856868.db2.gz SBOSMSLBIDOPKN-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CCOCC2)cc1 ZINC001593571334 1349856872 /nfs/dbraw/zinc/85/68/72/1349856872.db2.gz SBOSMSLBIDOPKN-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc(S[C@H]2C[C@H](Nc3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001593577228 1349859422 /nfs/dbraw/zinc/85/94/22/1349859422.db2.gz CUSUUIMDKHIUSK-UMSPYCQHSA-N -1 1 325.401 2.392 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2c1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001593579554 1349860575 /nfs/dbraw/zinc/86/05/75/1349860575.db2.gz JGFVQXOQUTUYRN-GFCCVEGCSA-N -1 1 347.338 2.226 20 0 EEADMM c1ccc2c(c1)OCC[C@H]2c1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001593579554 1349860578 /nfs/dbraw/zinc/86/05/78/1349860578.db2.gz JGFVQXOQUTUYRN-GFCCVEGCSA-N -1 1 347.338 2.226 20 0 EEADMM c1ccc2c(c1)CCO[C@H]2CSc1nccnc1-c1nn[n-]n1 ZINC001593579857 1349860743 /nfs/dbraw/zinc/86/07/43/1349860743.db2.gz DVIZMXVEPLGNJI-LBPRGKRZSA-N -1 1 326.385 2.063 20 0 EEADMM c1nn2cc(CN3CCCCc4ccccc43)cnc2c1-c1nnn[n-]1 ZINC001593580454 1349861423 /nfs/dbraw/zinc/86/14/23/1349861423.db2.gz MNHHYRIQRBMRRO-UHFFFAOYSA-N -1 1 346.398 2.252 20 0 EEADMM c1nn2cc(CN3CCCCc4ccccc43)cnc2c1-c1nn[n-]n1 ZINC001593580454 1349861426 /nfs/dbraw/zinc/86/14/26/1349861426.db2.gz MNHHYRIQRBMRRO-UHFFFAOYSA-N -1 1 346.398 2.252 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NC[C@@H]1CCCSC1 ZINC001593580721 1349862081 /nfs/dbraw/zinc/86/20/81/1349862081.db2.gz WQRDIJGHVJXBSS-JTQLQIEISA-N -1 1 327.417 2.365 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NC[C@@H]1CCCSC1 ZINC001593580721 1349862082 /nfs/dbraw/zinc/86/20/82/1349862082.db2.gz WQRDIJGHVJXBSS-JTQLQIEISA-N -1 1 327.417 2.365 20 0 EEADMM COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001598727640 1349941626 /nfs/dbraw/zinc/94/16/26/1349941626.db2.gz YCBJRVSDBSJQJA-LJQANCHMSA-N -1 1 340.379 2.097 20 0 EEADMM Cc1c(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cccc1C(=O)[O-] ZINC001600042329 1349960460 /nfs/dbraw/zinc/96/04/60/1349960460.db2.gz DORCEVMWTGHHRU-CHWSQXEVSA-N -1 1 349.431 2.314 20 0 EEADMM Cc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)cnn1CC(=O)[O-] ZINC001600055049 1349962771 /nfs/dbraw/zinc/96/27/71/1349962771.db2.gz XFFCVBVUHUYWMF-UHFFFAOYSA-N -1 1 337.401 2.200 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n[nH]1 ZINC001600189292 1349988415 /nfs/dbraw/zinc/98/84/15/1349988415.db2.gz MGAIUORRYYALIP-VIFPVBQESA-N -1 1 334.351 2.237 20 0 EEADMM Cc1cc(S(=O)(=O)Nc2nccc(C3CC3)n2)ccc1C(=O)[O-] ZINC001600301559 1350015402 /nfs/dbraw/zinc/01/54/02/1350015402.db2.gz QMCCNZOVPZENRD-UHFFFAOYSA-N -1 1 333.369 2.161 20 0 EEADMM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])nn3C)[nH]n2)cc1 ZINC001600312829 1350017427 /nfs/dbraw/zinc/01/74/27/1350017427.db2.gz JXXXHJHSWGEXCU-UHFFFAOYSA-N -1 1 325.328 2.069 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1(O)CCCC1 ZINC001600351540 1350026828 /nfs/dbraw/zinc/02/68/28/1350026828.db2.gz CYRUOZAXDXTTRG-CYBMUJFWSA-N -1 1 334.416 2.257 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C)C[C@@H]1CC(C)C ZINC001600356598 1350028418 /nfs/dbraw/zinc/02/84/18/1350028418.db2.gz IIBPRAOYSZVHIP-INIZCTEOSA-N -1 1 347.459 2.294 20 0 EEADMM Cc1ccc([C@H](C)NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)s1 ZINC001600373701 1350033095 /nfs/dbraw/zinc/03/30/95/1350033095.db2.gz QHFZWSWKMZHWJK-AAEUAGOBSA-N -1 1 339.461 2.308 20 0 EEADMM Cc1ccc([C@@H]2CC(=O)N(CN3CCC(CC(=O)[O-])CC3)C2)cc1 ZINC001600395819 1350039468 /nfs/dbraw/zinc/03/94/68/1350039468.db2.gz GHLNTKSKPSBIIQ-QGZVFWFLSA-N -1 1 330.428 2.455 20 0 EEADMM Cc1ccc(CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(Cl)c1 ZINC001600399230 1350040948 /nfs/dbraw/zinc/04/09/48/1350040948.db2.gz MAFSAQPEORONPM-ZDUSSCGKSA-N -1 1 338.835 2.198 20 0 EEADMM Cc1ccc2c(cnn2CN2CC[C@H](n3cccn3)C2)c1C(=O)[O-] ZINC001600498600 1350067014 /nfs/dbraw/zinc/06/70/14/1350067014.db2.gz QYWLZSDBPGBQGH-ZDUSSCGKSA-N -1 1 325.372 2.144 20 0 EEADMM Cn1cc(CN2CCC([C@H](O)C(=O)[O-])CC2)c(C2CCCCC2)n1 ZINC001600952826 1350175291 /nfs/dbraw/zinc/17/52/91/1350175291.db2.gz ZZPRTJXSLRRKBY-KRWDZBQOSA-N -1 1 335.448 2.125 20 0 EEADMM Cn1ccnc1[C@H](O)C1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001600982744 1350182186 /nfs/dbraw/zinc/18/21/86/1350182186.db2.gz KJBAJGYKCXCSFG-VGOKWCNXSA-N -1 1 345.399 2.057 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(CC(=O)NC3CCCC3)CC2)[nH]1 ZINC001601256522 1350242960 /nfs/dbraw/zinc/24/29/60/1350242960.db2.gz RQPGCXIVOBGMBB-UHFFFAOYSA-N -1 1 333.432 2.374 20 0 EEADMM O=C(CCCCCc1cccs1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001601264385 1350244839 /nfs/dbraw/zinc/24/48/39/1350244839.db2.gz OTMKDLSZOFZFIK-AWEZNQCLSA-N -1 1 335.429 2.386 20 0 EEADMM O=C([O-])c1sc(NC(=O)CCc2nc[nH]n2)nc1C1CCCC1 ZINC001601297524 1350251888 /nfs/dbraw/zinc/25/18/88/1350251888.db2.gz VMTHHHJFDVGZAJ-UHFFFAOYSA-N -1 1 335.389 2.188 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN2CC[C@H](Cc3ccccc3)C2)n1 ZINC001601304726 1350252786 /nfs/dbraw/zinc/25/27/86/1350252786.db2.gz CNUWDSAONMQQPG-OAHLLOKOSA-N -1 1 339.395 2.283 20 0 EEADMM O=C([O-])C1(NC(=O)CN[C@@H](c2ccncc2)C2CC2)CCCCC1 ZINC001601323168 1350257291 /nfs/dbraw/zinc/25/72/91/1350257291.db2.gz CABMPFRYHKPEDG-MRXNPFEDSA-N -1 1 331.416 2.026 20 0 EEADMM O=C([O-])[C@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)Cc1ccccc1 ZINC001601464939 1350289796 /nfs/dbraw/zinc/28/97/96/1350289796.db2.gz MLNSNXDQLIYTSV-LSDHHAIUSA-N -1 1 342.399 2.030 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001601773132 1350361325 /nfs/dbraw/zinc/36/13/25/1350361325.db2.gz PPRYPMZKUWANLR-AEFFLSMTSA-N -1 1 345.370 2.425 20 0 EEADMM O=C([O-])[C@@H]1C[C@@H]2C[C@@H](NCc3ncc(Br)s3)[C@H]2C1 ZINC001601787102 1350364396 /nfs/dbraw/zinc/36/43/96/1350364396.db2.gz WZDOQJZMLLTLLP-LURQLKTLSA-N -1 1 331.235 2.495 20 0 EEADMM O=C([O-])CCCOc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC001601998205 1350414160 /nfs/dbraw/zinc/41/41/60/1350414160.db2.gz NVDFZFWEHNQQLF-UHFFFAOYSA-N -1 1 340.339 2.454 20 0 EEADMM O=C([O-])CNC(=O)[C@H]1CCCN1Cc1ccc(F)c2ccccc12 ZINC001602069006 1350430730 /nfs/dbraw/zinc/43/07/30/1350430730.db2.gz YWZOHHILUMIZRN-MRXNPFEDSA-N -1 1 330.359 2.144 20 0 EEADMM O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cccc(C(F)(F)F)c1O ZINC001602171283 1350457033 /nfs/dbraw/zinc/45/70/33/1350457033.db2.gz QIPNHUIOCSOEKM-QMMMGPOBSA-N -1 1 339.216 2.345 20 0 EEADMM O=C([O-])c1ccc2c(c1)OCCN(C[C@H]1CCC[C@]3(CCOC3)O1)C2 ZINC001602428040 1350517229 /nfs/dbraw/zinc/51/72/29/1350517229.db2.gz CSSMUZXJUSKPHI-VQIMIIECSA-N -1 1 347.411 2.307 20 0 EEADMM O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1Cl ZINC001602438288 1350519876 /nfs/dbraw/zinc/51/98/76/1350519876.db2.gz KFIITBZWOBAMHD-AWEZNQCLSA-N -1 1 338.835 2.335 20 0 EEADMM O=C([O-])c1ccnc(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)n1 ZINC001602486954 1350530656 /nfs/dbraw/zinc/53/06/56/1350530656.db2.gz ULSISXGSQIRMRY-UHFFFAOYSA-N -1 1 335.295 2.389 20 0 EEADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC2(COC(=O)N2)CC1 ZINC001602655821 1350567453 /nfs/dbraw/zinc/56/74/53/1350567453.db2.gz KXCYOQDNEQKHFQ-LBPRGKRZSA-N -1 1 342.754 2.179 20 0 EEADMM CC(C)(C)CCC1(O)CC(C(=O)OCc2ccc(-c3nnn[n-]3)o2)C1 ZINC001603070709 1350632975 /nfs/dbraw/zinc/63/29/75/1350632975.db2.gz CVUZPIGSJKHOAT-UHFFFAOYSA-N -1 1 348.403 2.470 20 0 EEADMM CC(C)(C)CCC1(O)CC(C(=O)OCc2ccc(-c3nn[n-]n3)o2)C1 ZINC001603070709 1350632982 /nfs/dbraw/zinc/63/29/82/1350632982.db2.gz CVUZPIGSJKHOAT-UHFFFAOYSA-N -1 1 348.403 2.470 20 0 EEADMM CC(C)(CC(=O)NCc1nc(-c2nnn[n-]2)cs1)CC(F)F ZINC001603137476 1350647888 /nfs/dbraw/zinc/64/78/88/1350647888.db2.gz WPOVAXGPSAUMEX-UHFFFAOYSA-N -1 1 330.364 2.011 20 0 EEADMM CC(C)(CC(=O)NCc1nc(-c2nn[n-]n2)cs1)CC(F)F ZINC001603137476 1350647890 /nfs/dbraw/zinc/64/78/90/1350647890.db2.gz WPOVAXGPSAUMEX-UHFFFAOYSA-N -1 1 330.364 2.011 20 0 EEADMM CC(C)(C)OC(=O)NC[C@H](NCc1nc(C(=O)[O-])cs1)C1CC1 ZINC001603453280 1350707368 /nfs/dbraw/zinc/70/73/68/1350707368.db2.gz XPZNEVRKUDCJBI-JTQLQIEISA-N -1 1 341.433 2.234 20 0 EEADMM C[C@@H](CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)c1ccncc1 ZINC001603541100 1350717918 /nfs/dbraw/zinc/71/79/18/1350717918.db2.gz GGDHCWXEXHRJEC-NSHDSACASA-N -1 1 347.382 2.277 20 0 EEADMM CC(C)(C)c1ccc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)nn1 ZINC001603540114 1350718004 /nfs/dbraw/zinc/71/80/04/1350718004.db2.gz KLLLIOXJASKLGK-UHFFFAOYSA-N -1 1 349.412 2.414 20 0 EEADMM C[C@H](O)C(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001603693661 1350743461 /nfs/dbraw/zinc/74/34/61/1350743461.db2.gz HGCPHWMNHCYVCT-ZETCQYMHSA-N -1 1 330.314 2.099 20 0 EEADMM C[C@H](O)C(C)(C)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001603693661 1350743464 /nfs/dbraw/zinc/74/34/64/1350743464.db2.gz HGCPHWMNHCYVCT-ZETCQYMHSA-N -1 1 330.314 2.099 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001603725522 1350750784 /nfs/dbraw/zinc/75/07/84/1350750784.db2.gz LCHYGIYSOWXIRD-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001603725522 1350750786 /nfs/dbraw/zinc/75/07/86/1350750786.db2.gz LCHYGIYSOWXIRD-VIFPVBQESA-N -1 1 344.325 2.373 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCc2ccccc21 ZINC001603781131 1350766544 /nfs/dbraw/zinc/76/65/44/1350766544.db2.gz BICGZBJBNJDRNL-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCc2ccccc21 ZINC001603781131 1350766546 /nfs/dbraw/zinc/76/65/46/1350766546.db2.gz BICGZBJBNJDRNL-UHFFFAOYSA-N -1 1 348.410 2.238 20 0 EEADMM CC1(c2cccc(CNc3cccc(-c4nnn[n-]4)n3)c2)OCCO1 ZINC001603818292 1350775989 /nfs/dbraw/zinc/77/59/89/1350775989.db2.gz GOKMYZJPIXZXOT-UHFFFAOYSA-N -1 1 338.371 2.093 20 0 EEADMM CC1(c2cccc(CNc3cccc(-c4nn[n-]n4)n3)c2)OCCO1 ZINC001603818292 1350775994 /nfs/dbraw/zinc/77/59/94/1350775994.db2.gz GOKMYZJPIXZXOT-UHFFFAOYSA-N -1 1 338.371 2.093 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001603830880 1350778068 /nfs/dbraw/zinc/77/80/68/1350778068.db2.gz QAYVJNNGSKYDHX-SFYZADRCSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001603830880 1350778072 /nfs/dbraw/zinc/77/80/72/1350778072.db2.gz QAYVJNNGSKYDHX-SFYZADRCSA-N -1 1 329.282 2.263 20 0 EEADMM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccsc2-c2nn[n-]n2)C[C@H]1C ZINC001603883038 1350791623 /nfs/dbraw/zinc/79/16/23/1350791623.db2.gz VZQAYDAEQLQRGU-OPRDCNLKSA-N -1 1 341.462 2.031 20 0 EEADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001603891840 1350795663 /nfs/dbraw/zinc/79/56/63/1350795663.db2.gz VCCONPQIFLFKKS-KOLCDFICSA-N -1 1 345.407 2.001 20 0 EEADMM C[C@@H]1CN(Cc2csc(-c3nn[n-]n3)c2)c2ccccc2C(=O)N1 ZINC001603935015 1350805552 /nfs/dbraw/zinc/80/55/52/1350805552.db2.gz DSEFNPRVCRLJSL-SNVBAGLBSA-N -1 1 340.412 2.067 20 0 EEADMM CCC(=O)N[C@H](CNc1snc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001603970202 1350815925 /nfs/dbraw/zinc/81/59/25/1350815925.db2.gz QEEYSYXHYWKRGJ-LLVKDONJSA-N -1 1 349.464 2.129 20 0 EEADMM CC(C)c1cccc(NC(=O)CN[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC001604008796 1350828282 /nfs/dbraw/zinc/82/82/82/1350828282.db2.gz IXHHBTBAGHKYEN-HOTGVXAUSA-N -1 1 334.416 2.360 20 0 EEADMM CCC1(C(=O)N(C)CCNc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001604076155 1350848207 /nfs/dbraw/zinc/84/82/07/1350848207.db2.gz KNQXKFATPDWXDY-UHFFFAOYSA-N -1 1 349.464 2.082 20 0 EEADMM CCN(C(=O)CSc1cccnc1-c1nnn[n-]1)c1ccccc1 ZINC001604259526 1350904547 /nfs/dbraw/zinc/90/45/47/1350904547.db2.gz HXSAQGSESWCORP-UHFFFAOYSA-N -1 1 340.412 2.407 20 0 EEADMM CCN(C(=O)CSc1cccnc1-c1nn[n-]n1)c1ccccc1 ZINC001604259526 1350904550 /nfs/dbraw/zinc/90/45/50/1350904550.db2.gz HXSAQGSESWCORP-UHFFFAOYSA-N -1 1 340.412 2.407 20 0 EEADMM C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ncc(C(=O)[O-])s1 ZINC001604286243 1350909287 /nfs/dbraw/zinc/90/92/87/1350909287.db2.gz HTBZEBLCUJSTPW-CBAPKCEASA-N -1 1 335.389 2.002 20 0 EEADMM CCOCCC1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001604426220 1350935963 /nfs/dbraw/zinc/93/59/63/1350935963.db2.gz BWMZFLWQFQIWIR-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM CCOCCC1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001604426220 1350935964 /nfs/dbraw/zinc/93/59/64/1350935964.db2.gz BWMZFLWQFQIWIR-UHFFFAOYSA-N -1 1 329.408 2.153 20 0 EEADMM CCOc1ncccc1-c1noc(-c2ccc(-c3nnn[n-]3)s2)n1 ZINC001604472318 1350944997 /nfs/dbraw/zinc/94/49/97/1350944997.db2.gz DDVINGVYRYCLPZ-UHFFFAOYSA-N -1 1 341.356 2.439 20 0 EEADMM CCOc1ncccc1-c1noc(-c2ccc(-c3nn[n-]n3)s2)n1 ZINC001604472318 1350944998 /nfs/dbraw/zinc/94/49/98/1350944998.db2.gz DDVINGVYRYCLPZ-UHFFFAOYSA-N -1 1 341.356 2.439 20 0 EEADMM CCc1nc(NC2CCC(OC(C)C)CC2)cc(-c2nnn[n-]2)n1 ZINC001604559974 1350960999 /nfs/dbraw/zinc/96/09/99/1350960999.db2.gz ZFIDCQTWHIOHRP-UHFFFAOYSA-N -1 1 331.424 2.367 20 0 EEADMM CCc1nc(NC2CCC(OC(C)C)CC2)cc(-c2nn[n-]n2)n1 ZINC001604559974 1350961002 /nfs/dbraw/zinc/96/10/02/1350961002.db2.gz ZFIDCQTWHIOHRP-UHFFFAOYSA-N -1 1 331.424 2.367 20 0 EEADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cn(C)nc1Br ZINC001604651829 1350977014 /nfs/dbraw/zinc/97/70/14/1350977014.db2.gz DUCJCVCEMCYRMO-ILWJIGKKSA-N -1 1 330.226 2.256 20 0 EEADMM C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001604766654 1350999218 /nfs/dbraw/zinc/99/92/18/1350999218.db2.gz KHIAPYFSFDRPGQ-VFZGTOFNSA-N -1 1 331.347 2.229 20 0 EEADMM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001604776151 1351000530 /nfs/dbraw/zinc/00/05/30/1351000530.db2.gz OSCVRJFTSXFZEY-XOSAIJSUSA-N -1 1 345.443 2.012 20 0 EEADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC001604780047 1351001250 /nfs/dbraw/zinc/00/12/50/1351001250.db2.gz YYTJRSBLHXCWOF-WISYIIOYSA-N -1 1 348.390 2.282 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=S)Nc1ccc(F)cc1 ZINC001604795608 1351006038 /nfs/dbraw/zinc/00/60/38/1351006038.db2.gz YLYHOHRSUBEDHE-LLVKDONJSA-N -1 1 325.409 2.003 20 0 EEADMM CN1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)Cc2ccccc21 ZINC001604846465 1351018950 /nfs/dbraw/zinc/01/89/50/1351018950.db2.gz LSGAJVFVVADEGG-SECBINFHSA-N -1 1 347.835 2.450 20 0 EEADMM CC[C@@H](N[C@@H]1CCCN(CCC(=O)[O-])C1=O)c1ccccc1OC ZINC001605091464 1351076776 /nfs/dbraw/zinc/07/67/76/1351076776.db2.gz LNMHBOUYESBPHT-HUUCEWRRSA-N -1 1 334.416 2.202 20 0 EEADMM CCC[C@H](O)CN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001605221744 1351108275 /nfs/dbraw/zinc/10/82/75/1351108275.db2.gz UZBJNNPVDYDOTC-JKSUJKDBSA-N -1 1 340.851 2.244 20 0 EEADMM COc1ccc(OCCNc2ccc(C)nc2-c2nnn[n-]2)cc1 ZINC001605303185 1351131010 /nfs/dbraw/zinc/13/10/10/1351131010.db2.gz BKSVIIPVCMCVQU-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ccc(OCCNc2ccc(C)nc2-c2nn[n-]n2)cc1 ZINC001605303185 1351131012 /nfs/dbraw/zinc/13/10/12/1351131012.db2.gz BKSVIIPVCMCVQU-UHFFFAOYSA-N -1 1 326.360 2.070 20 0 EEADMM COc1ncc(NC(=O)c2ccc3cc(C)cn3c2)cc1-c1nn[n-]n1 ZINC001605349071 1351142504 /nfs/dbraw/zinc/14/25/04/1351142504.db2.gz VLHWUAINCBZTNT-UHFFFAOYSA-N -1 1 349.354 2.084 20 0 EEADMM CCN(CCNC(=O)/C=C\c1cc(C(=O)[O-])co1)CCC(F)(F)F ZINC001605449765 1351160607 /nfs/dbraw/zinc/16/06/07/1351160607.db2.gz WXBGRSMVEMXQRW-ARJAWSKDSA-N -1 1 348.321 2.382 20 0 EEADMM CCOC(=O)C1(C)CC(NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC001605517597 1351176829 /nfs/dbraw/zinc/17/68/29/1351176829.db2.gz ONQOSXMOQVMDNX-UHFFFAOYSA-N -1 1 332.400 2.479 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCc2ccccc2OC(F)F)n1 ZINC001605583762 1351194707 /nfs/dbraw/zinc/19/47/07/1351194707.db2.gz GBKRIFCEBDTUIY-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCc2ccccc2OC(F)F)n1 ZINC001605583762 1351194711 /nfs/dbraw/zinc/19/47/11/1351194711.db2.gz GBKRIFCEBDTUIY-UHFFFAOYSA-N -1 1 333.302 2.179 20 0 EEADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCCCO)n1 ZINC001605635898 1351206560 /nfs/dbraw/zinc/20/65/60/1351206560.db2.gz QKSJBTHWPLUHPG-UHFFFAOYSA-N -1 1 333.339 2.454 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001605643868 1351209180 /nfs/dbraw/zinc/20/91/80/1351209180.db2.gz YBQPJHVNPLKLTE-UHFFFAOYSA-N -1 1 349.398 2.469 20 0 EEADMM Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001605643868 1351209181 /nfs/dbraw/zinc/20/91/81/1351209181.db2.gz YBQPJHVNPLKLTE-UHFFFAOYSA-N -1 1 349.398 2.469 20 0 EEADMM CCc1nc([C@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001605842662 1351233656 /nfs/dbraw/zinc/23/36/56/1351233656.db2.gz QHFUVSRXRNVIFW-UWVGGRQHSA-N -1 1 335.433 2.462 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)nc1-c1nnn[n-]1 ZINC001605872580 1351242533 /nfs/dbraw/zinc/24/25/33/1351242533.db2.gz YESLQBCTRKFEFF-ZIAGYGMSSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1ccc(N[C@@H]2CCO[C@@H](c3ccncc3)C2)nc1-c1nn[n-]n1 ZINC001605872580 1351242534 /nfs/dbraw/zinc/24/25/34/1351242534.db2.gz YESLQBCTRKFEFF-ZIAGYGMSSA-N -1 1 337.387 2.297 20 0 EEADMM CCc1noc(C[C@]2(O)CCCN([C@@H](C)c3ccc(C(=O)[O-])o3)C2)n1 ZINC001605876288 1351243745 /nfs/dbraw/zinc/24/37/45/1351243745.db2.gz GSRRWJFZIMIZFT-APPDUMDISA-N -1 1 349.387 2.054 20 0 EEADMM Cc1cccc([C@H](C)CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605907303 1351251104 /nfs/dbraw/zinc/25/11/04/1351251104.db2.gz XARIFCGXQNWMQK-CYBMUJFWSA-N -1 1 336.399 2.033 20 0 EEADMM Cc1cccc([C@H](C)CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605907303 1351251106 /nfs/dbraw/zinc/25/11/06/1351251106.db2.gz XARIFCGXQNWMQK-CYBMUJFWSA-N -1 1 336.399 2.033 20 0 EEADMM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001605910055 1351251871 /nfs/dbraw/zinc/25/18/71/1351251871.db2.gz JLAQLNRYFQMLLC-QGZVFWFLSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001605910055 1351251873 /nfs/dbraw/zinc/25/18/73/1351251873.db2.gz JLAQLNRYFQMLLC-QGZVFWFLSA-N -1 1 348.410 2.476 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(F)F)cc2)c1-c1nnn[n-]1 ZINC001606112784 1351272704 /nfs/dbraw/zinc/27/27/04/1351272704.db2.gz QKRNCFFFLDHQBB-UHFFFAOYSA-N -1 1 333.302 2.099 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(C(F)F)cc2)c1-c1nn[n-]n1 ZINC001606112784 1351272706 /nfs/dbraw/zinc/27/27/06/1351272706.db2.gz QKRNCFFFLDHQBB-UHFFFAOYSA-N -1 1 333.302 2.099 20 0 EEADMM CN(CCCS(=O)(=O)C(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC001606125825 1351274952 /nfs/dbraw/zinc/27/49/52/1351274952.db2.gz AYBYMPCGQPTLKG-AWEZNQCLSA-N -1 1 327.446 2.348 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c1-c1nnn[n-]1 ZINC001606180075 1351282087 /nfs/dbraw/zinc/28/20/87/1351282087.db2.gz YBNMJPYQYLUGKK-GHMZBOCLSA-N -1 1 332.408 2.037 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001606180075 1351282088 /nfs/dbraw/zinc/28/20/88/1351282088.db2.gz YBNMJPYQYLUGKK-GHMZBOCLSA-N -1 1 332.408 2.037 20 0 EEADMM Clc1sc(N2CC[C@H]3CSC[C@H]3C2)nc1-c1nn[n-]n1 ZINC001606201282 1351284696 /nfs/dbraw/zinc/28/46/96/1351284696.db2.gz ZGCILJCWRSNGHV-NKWVEPMBSA-N -1 1 328.854 2.166 20 0 EEADMM Cn1ccc2c1cccc2C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001606253528 1351287494 /nfs/dbraw/zinc/28/74/94/1351287494.db2.gz DCTGZUWKFVATBC-UHFFFAOYSA-N -1 1 338.396 2.350 20 0 EEADMM COC(=O)COc1ccccc1CNCc1ccc(CC(=O)[O-])cc1 ZINC001606474835 1351307336 /nfs/dbraw/zinc/30/73/36/1351307336.db2.gz ULIMCSUJKYGQAZ-UHFFFAOYSA-N -1 1 343.379 2.155 20 0 EEADMM O=C(CCOc1ccc(Cl)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606525943 1351317152 /nfs/dbraw/zinc/31/71/52/1351317152.db2.gz STSMKHOMLXKHBC-UHFFFAOYSA-N -1 1 344.762 2.323 20 0 EEADMM O=C(CCOc1ccc(Cl)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606525943 1351317155 /nfs/dbraw/zinc/31/71/55/1351317155.db2.gz STSMKHOMLXKHBC-UHFFFAOYSA-N -1 1 344.762 2.323 20 0 EEADMM COC(=O)c1ccoc1CN[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001606622664 1351333556 /nfs/dbraw/zinc/33/35/56/1351333556.db2.gz ZSQMIBGEBNKPAS-SWLSCSKDSA-N -1 1 331.368 2.488 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccsc1-c1nnn[n-]1 ZINC001606692997 1351343565 /nfs/dbraw/zinc/34/35/65/1351343565.db2.gz JGPJRQJMTDJZSH-NSHDSACASA-N -1 1 345.815 2.479 20 0 EEADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccsc1-c1nn[n-]n1 ZINC001606692997 1351343571 /nfs/dbraw/zinc/34/35/71/1351343571.db2.gz JGPJRQJMTDJZSH-NSHDSACASA-N -1 1 345.815 2.479 20 0 EEADMM O=C(NCC(F)(F)c1ccc(F)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001606697706 1351344005 /nfs/dbraw/zinc/34/40/05/1351344005.db2.gz BDOBONMGSOKXIA-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCC(F)(F)c1ccc(F)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001606697706 1351344011 /nfs/dbraw/zinc/34/40/11/1351344011.db2.gz BDOBONMGSOKXIA-UHFFFAOYSA-N -1 1 337.261 2.121 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001606832426 1351363253 /nfs/dbraw/zinc/36/32/53/1351363253.db2.gz HAHNURXCALMVLA-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM O=C(NCc1ccc2ncccc2c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001606832426 1351363255 /nfs/dbraw/zinc/36/32/55/1351363255.db2.gz HAHNURXCALMVLA-UHFFFAOYSA-N -1 1 346.354 2.132 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccnc(-c2nnn[n-]2)c1 ZINC001606888751 1351369816 /nfs/dbraw/zinc/36/98/16/1351369816.db2.gz ZZIBHGIPXAGCQQ-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccnc(-c2nn[n-]n2)c1 ZINC001606888751 1351369820 /nfs/dbraw/zinc/36/98/20/1351369820.db2.gz ZZIBHGIPXAGCQQ-MQMHXKEQSA-N -1 1 338.346 2.077 20 0 EEADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)c1csc(C2CC2)n1 ZINC001606892915 1351370625 /nfs/dbraw/zinc/37/06/25/1351370625.db2.gz ZXERTJCCKPWYJE-UHFFFAOYSA-N -1 1 342.388 2.053 20 0 EEADMM O=C(Nc1ccc(SC(F)F)nc1)c1cccc(-c2nnn[n-]2)n1 ZINC001606928607 1351378486 /nfs/dbraw/zinc/37/84/86/1351378486.db2.gz RJINIQHGBKUYNL-UHFFFAOYSA-N -1 1 349.326 2.224 20 0 EEADMM O=C(Nc1ccc(SC(F)F)nc1)c1cccc(-c2nn[n-]n2)n1 ZINC001606928607 1351378490 /nfs/dbraw/zinc/37/84/90/1351378490.db2.gz RJINIQHGBKUYNL-UHFFFAOYSA-N -1 1 349.326 2.224 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[nH]n1)c1cc2ccnc(Cl)c2s1 ZINC001606945164 1351381131 /nfs/dbraw/zinc/38/11/31/1351381131.db2.gz BDYSYUMQQPTMFC-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2ccnc(Cl)c2s1 ZINC001606945164 1351381134 /nfs/dbraw/zinc/38/11/34/1351381134.db2.gz BDYSYUMQQPTMFC-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(OC[C@H]1CCCc2cccnc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606967175 1351386767 /nfs/dbraw/zinc/38/67/67/1351386767.db2.gz ANAWUXOVNKFISR-LLVKDONJSA-N -1 1 325.328 2.132 20 0 EEADMM COCc1ccccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC001606969130 1351387470 /nfs/dbraw/zinc/38/74/70/1351387470.db2.gz ZYHZSNNJGHFBSW-UHFFFAOYSA-N -1 1 327.383 2.394 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CCCC2(CCOCC2)C1 ZINC001607022533 1351399894 /nfs/dbraw/zinc/39/98/94/1351399894.db2.gz VAVPMVCOSKWRJW-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CCCC2(CCOCC2)C1 ZINC001607022533 1351399895 /nfs/dbraw/zinc/39/98/95/1351399895.db2.gz VAVPMVCOSKWRJW-UHFFFAOYSA-N -1 1 345.378 2.039 20 0 EEADMM O=S(=O)(c1c2ccccc2sc1-c1nn[n-]n1)N1CCCCC1 ZINC001607069174 1351406415 /nfs/dbraw/zinc/40/64/15/1351406415.db2.gz BTSNTDBQNDFXOZ-UHFFFAOYSA-N -1 1 349.441 2.256 20 0 EEADMM O=[S@](Cc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1F ZINC001607073300 1351406744 /nfs/dbraw/zinc/40/67/44/1351406744.db2.gz GWCRJDOHUGZGJD-JOCHJYFZSA-N -1 1 337.767 2.362 20 0 EEADMM O=[S@](Cc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1F ZINC001607073300 1351406745 /nfs/dbraw/zinc/40/67/45/1351406745.db2.gz GWCRJDOHUGZGJD-JOCHJYFZSA-N -1 1 337.767 2.362 20 0 EEADMM c1ccc(COC[C@H]2CCN(c3cccnc3-c3nnn[n-]3)C2)cc1 ZINC001607128389 1351431378 /nfs/dbraw/zinc/43/13/78/1351431378.db2.gz AOULUCAMNVCOIE-HNNXBMFYSA-N -1 1 336.399 2.305 20 0 EEADMM c1ccc(COC[C@H]2CCN(c3cccnc3-c3nn[n-]n3)C2)cc1 ZINC001607128389 1351431380 /nfs/dbraw/zinc/43/13/80/1351431380.db2.gz AOULUCAMNVCOIE-HNNXBMFYSA-N -1 1 336.399 2.305 20 0 EEADMM c1nn(CC2CCC2)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001607137969 1351436245 /nfs/dbraw/zinc/43/62/45/1351436245.db2.gz LDHFNMPLPKVMAQ-UHFFFAOYSA-N -1 1 339.407 2.076 20 0 EEADMM c1nn(CC2CCC2)cc1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001607137969 1351436247 /nfs/dbraw/zinc/43/62/47/1351436247.db2.gz LDHFNMPLPKVMAQ-UHFFFAOYSA-N -1 1 339.407 2.076 20 0 EEADMM COc1ccc(C(=O)[O-])c2c1CN(Cc1nc(C)ccc1O)CC2 ZINC001607215165 1351450667 /nfs/dbraw/zinc/45/06/67/1351450667.db2.gz HITCVZVFBVMZDO-UHFFFAOYSA-N -1 1 328.368 2.361 20 0 EEADMM COc1ccc(OC)c([C@H](O)[C@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC001607279325 1351464251 /nfs/dbraw/zinc/46/42/51/1351464251.db2.gz KVZCSQSTSVAXSE-MGPLVRAMSA-N -1 1 335.356 2.207 20 0 EEADMM Cc1cc(C)cc(OC[C@H](O)CN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC001607628441 1351528766 /nfs/dbraw/zinc/52/87/66/1351528766.db2.gz QFGQDZVMOCGHEA-QGZVFWFLSA-N -1 1 344.411 2.268 20 0 EEADMM Cc1ccc2nc(NC(=O)CN[C@](C)(C(=O)[O-])C3CC3)sc2c1 ZINC001607834906 1351568477 /nfs/dbraw/zinc/56/84/77/1351568477.db2.gz NQKMYAUJMZQYCG-INIZCTEOSA-N -1 1 333.413 2.386 20 0 EEADMM Cc1ccnc(N2CCN(CCc3ccccc3C(=O)[O-])CC2)c1 ZINC001607895532 1351581350 /nfs/dbraw/zinc/58/13/50/1351581350.db2.gz VGNNMNOTAXEJDZ-UHFFFAOYSA-N -1 1 325.412 2.453 20 0 EEADMM Cc1nc(C(C)C)sc1[C@H](C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001607946998 1351590667 /nfs/dbraw/zinc/59/06/67/1351590667.db2.gz ULFYSQXNBFRISF-LSJOCFKGSA-N -1 1 327.450 2.203 20 0 EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001607974534 1351596184 /nfs/dbraw/zinc/59/61/84/1351596184.db2.gz LKDKKGBQHXCKEJ-ZDUSSCGKSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1oc(CN(C)C(=O)c2c[nH]c3ccccc3c2=O)cc1C(=O)[O-] ZINC001608045050 1351612970 /nfs/dbraw/zinc/61/29/70/1351612970.db2.gz RKCMMEOEJNWILV-UHFFFAOYSA-N -1 1 340.335 2.400 20 0 EEADMM Cc1sc2ncn(NC(=O)c3ccc(F)c([O-])c3)c(=O)c2c1C ZINC001623362679 1352395536 /nfs/dbraw/zinc/39/55/36/1352395536.db2.gz SMDJYYWXZVQKAY-UHFFFAOYSA-N -1 1 333.344 2.303 20 0 EEADMM Cc1nccn1-c1ncccc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001625389903 1352447857 /nfs/dbraw/zinc/44/78/57/1352447857.db2.gz OXSKVSAJTYGTOP-UHFFFAOYSA-N -1 1 326.331 2.350 20 0 EEADMM O=C(CCCc1nn[n-]n1)Nc1ccnc(OCc2ccccc2)c1 ZINC001627609072 1352503298 /nfs/dbraw/zinc/50/32/98/1352503298.db2.gz DAICNUFMLJOWAF-UHFFFAOYSA-N -1 1 338.371 2.135 20 0 EEADMM C[C@@H](O)c1ncc(C(=O)[N-]c2nnc(-c3ccncc3)s2)s1 ZINC001632367357 1352596348 /nfs/dbraw/zinc/59/63/48/1352596348.db2.gz MYXXVXVRMLNQGA-SSDOTTSWSA-N -1 1 333.398 2.362 20 0 EEADMM Cc1cncc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)c1 ZINC001633627519 1352614466 /nfs/dbraw/zinc/61/44/66/1352614466.db2.gz WDOKBWXXNKENIJ-ZDUSSCGKSA-N -1 1 346.753 2.215 20 0 EEADMM COc1cc2[n-]cc(C(=O)NCc3occc3C)c(=O)c2c(OC)c1 ZINC001637049690 1352671585 /nfs/dbraw/zinc/67/15/85/1352671585.db2.gz KFOPKTGJJLPRNZ-UHFFFAOYSA-N -1 1 342.351 2.377 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccnc(-n2cccn2)c1 ZINC001640518941 1352711175 /nfs/dbraw/zinc/71/11/75/1352711175.db2.gz JPRZFRHNQWMYQL-UHFFFAOYSA-N -1 1 338.371 2.447 20 0 EEADMM Cn1cc(CN2CCC(OCc3ccccc3F)CC2)c(C(=O)[O-])n1 ZINC001646225866 1352822547 /nfs/dbraw/zinc/82/25/47/1352822547.db2.gz RZGZELGWEGLBST-UHFFFAOYSA-N -1 1 347.390 2.439 20 0 EEADMM CC[C@@]1(C)CCCN(c2nnc(-c3c[n-][nH]c3=O)n2CCOC)C1 ZINC001646822872 1352993738 /nfs/dbraw/zinc/99/37/38/1352993738.db2.gz GYABFEBODNUTSL-INIZCTEOSA-N -1 1 334.424 2.037 20 0 EEADMM CCCN1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC001647145322 1353162809 /nfs/dbraw/zinc/16/28/09/1353162809.db2.gz IXNOYSYZKPRQOK-INIZCTEOSA-N -1 1 338.473 2.318 20 0 EEADMM O=C([N-]CC1CN(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)C1)C(F)(F)F ZINC001647357247 1353242452 /nfs/dbraw/zinc/24/24/52/1353242452.db2.gz IKBFLQADEHWKQJ-OLZOCXBDSA-N -1 1 347.381 2.275 20 0 EEADMM O=C([O-])c1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)[nH]n1 ZINC001647411913 1353268260 /nfs/dbraw/zinc/26/82/60/1353268260.db2.gz XAWWZNGSPOOYFF-INIZCTEOSA-N -1 1 329.356 2.120 20 0 EEADMM Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N(C)CCCC(=O)[O-])C2)cc1 ZINC001650324373 1353852728 /nfs/dbraw/zinc/85/27/28/1353852728.db2.gz SDMKPNXVCKHVRW-MRXNPFEDSA-N -1 1 333.432 2.076 20 0 EEADMM O=C([N-]CCCOC(=O)[C@H]1CCc2cc(F)ccc21)C(F)(F)F ZINC000850269654 1367135519 /nfs/dbraw/zinc/13/55/19/1367135519.db2.gz QMELDPVJANEDLS-LBPRGKRZSA-N -1 1 333.281 2.467 20 0 EEADMM CC(=O)c1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cs1 ZINC000815278242 1367863649 /nfs/dbraw/zinc/86/36/49/1367863649.db2.gz OBCHVRRCNULOKU-UHFFFAOYSA-N -1 1 331.349 2.064 20 0 EEADMM O=C(Nc1cccc(Br)c1)Nc1c([O-])nc[nH]c1=O ZINC001187441723 1368243593 /nfs/dbraw/zinc/24/35/93/1368243593.db2.gz QRJSFPFTYJWMGD-UHFFFAOYSA-N -1 1 325.122 2.294 20 0 EEADMM COc1nc(S(=O)(=O)[N-]c2ccc(C)nc2Cl)ccc1F ZINC001190063987 1368390391 /nfs/dbraw/zinc/39/03/91/1368390391.db2.gz VSBLVMYBABDYIW-UHFFFAOYSA-N -1 1 331.756 2.387 20 0 EEADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)cc2)cnc1C ZINC001195766075 1368571788 /nfs/dbraw/zinc/57/17/88/1368571788.db2.gz GXZBAKGZNGEWSD-UHFFFAOYSA-N -1 1 336.369 2.073 20 0 EEADMM CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000863009740 1369555091 /nfs/dbraw/zinc/55/50/91/1369555091.db2.gz JHKOBTVWQVKQGS-UHFFFAOYSA-N -1 1 340.351 2.106 20 0 EEADMM Cc1cc(F)ccc1OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000119484945 1369564370 /nfs/dbraw/zinc/56/43/70/1369564370.db2.gz QLNBOKWPZLTQER-UHFFFAOYSA-N -1 1 329.331 2.235 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3C)cc2o1 ZINC001116747288 1371734373 /nfs/dbraw/zinc/73/43/73/1371734373.db2.gz ABFKCVNOFSMGQK-UHFFFAOYSA-N -1 1 345.380 2.344 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000830796298 1372350287 /nfs/dbraw/zinc/35/02/87/1372350287.db2.gz ZJQQUALUFRUODK-NWJSVONSSA-N -1 1 330.350 2.258 20 0 EEADMM COc1c(C)cnc(CN(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)c1C ZINC001347529731 1372975064 /nfs/dbraw/zinc/97/50/64/1372975064.db2.gz TVIFQCGPYPNSCC-UHFFFAOYSA-N -1 1 348.428 2.072 20 0 EEADMM CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000849201229 1373249375 /nfs/dbraw/zinc/24/93/75/1373249375.db2.gz IWMNJJDUZVUFMF-LLVKDONJSA-N -1 1 329.805 2.166 20 0 EEADMM NC(=O)C1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCCCC1 ZINC001361957175 1373356605 /nfs/dbraw/zinc/35/66/05/1373356605.db2.gz IZRZOQNLGXMDHO-UHFFFAOYSA-N -1 1 328.368 2.169 20 0 EEADMM O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)[C@H]1CCCS1 ZINC001362467973 1373416970 /nfs/dbraw/zinc/41/69/70/1373416970.db2.gz XDRVRITVEKYRKW-MNOVXSKESA-N -1 1 341.799 2.093 20 0 EEADMM NC(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC001363307265 1373503915 /nfs/dbraw/zinc/50/39/15/1373503915.db2.gz CJDLYMUPBYIYIU-GFCCVEGCSA-N -1 1 332.331 2.382 20 0 EEADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[n-][nH]c1=O ZINC001364099305 1373589445 /nfs/dbraw/zinc/58/94/45/1373589445.db2.gz YLVGGHNCZCUDLI-JTQLQIEISA-N -1 1 326.397 2.383 20 0 EEADMM CN(Cc1c(F)cccc1F)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001365512386 1373728598 /nfs/dbraw/zinc/72/85/98/1373728598.db2.gz ZETJMMGAMOZBLL-UHFFFAOYSA-N -1 1 331.326 2.284 20 0 EEADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)cc1C ZINC001365620126 1373744896 /nfs/dbraw/zinc/74/48/96/1373744896.db2.gz GDZPLKMXIRCHRP-YUSALJHKSA-N -1 1 329.418 2.478 20 0 EEADMM CN(CC(C)(C)CNC(=O)CCC1CC1)C(=O)c1ncccc1[O-] ZINC001369746992 1374621626 /nfs/dbraw/zinc/62/16/26/1374621626.db2.gz YXAWBTMBCYLPGU-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM Cc1cccc(C(=O)N[C@H](C)CN(C)C(=O)c2ncccc2[O-])c1F ZINC001370466493 1374952259 /nfs/dbraw/zinc/95/22/59/1374952259.db2.gz AJKZWVBAUSOKKE-GFCCVEGCSA-N -1 1 345.374 2.125 20 0 EEADMM CCCC1(C(=O)N2CCC[C@@H](CNC(=O)c3ncccc3[O-])C2)CC1 ZINC001372648804 1376112319 /nfs/dbraw/zinc/11/23/19/1376112319.db2.gz AQRYFUXULBTBGH-AWEZNQCLSA-N -1 1 345.443 2.336 20 0 EEADMM CC(C)CC1(C(=O)N2CC(CNC(=O)c3ncccc3[O-])C2)CCC1 ZINC001374823749 1377095565 /nfs/dbraw/zinc/09/55/65/1377095565.db2.gz IAMSUUZZCDETKJ-UHFFFAOYSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@H](CNC(=O)c1cscc1C)NC(=O)c1ncccc1[O-] ZINC001375039236 1377307842 /nfs/dbraw/zinc/30/78/42/1377307842.db2.gz PHGWRAMWULVIOE-LLVKDONJSA-N -1 1 333.413 2.096 20 0 EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)C(C)(C)C1CC1 ZINC001375840477 1378050121 /nfs/dbraw/zinc/05/01/21/1378050121.db2.gz GOKLQUFFLIPHEQ-AWEZNQCLSA-N -1 1 347.459 2.484 20 0 EEADMM CN(C(=O)C1CCCCC1)[C@H](CNC(=O)c1ncccc1[O-])C1CC1 ZINC001381672042 1381715522 /nfs/dbraw/zinc/71/55/22/1381715522.db2.gz NOWUOOMWBQKENO-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM CCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001384524476 1384436270 /nfs/dbraw/zinc/43/62/70/1384436270.db2.gz WFLYZZTYHNNPKB-VXGBXAGGSA-N -1 1 348.447 2.263 20 0 EEADMM C[C@H](CCNC(=O)c1ccc(CF)cc1)NC(=O)c1ncccc1[O-] ZINC001386704846 1386267919 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20 0 EEADMM CCCC[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2ncccc2[O-])C1 ZINC001395286030 1390811945 /nfs/dbraw/zinc/81/19/45/1390811945.db2.gz QYYJCLUYHZJQSX-CHWSQXEVSA-N -1 1 333.432 2.190 20 0 EEADMM CC(C)n1cccc1C(=O)N(C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001395588358 1390841481 /nfs/dbraw/zinc/84/14/81/1390841481.db2.gz QCSBXEJUYNDCJW-CYBMUJFWSA-N -1 1 344.415 2.060 20 0 EEADMM CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001396891237 1390986480 /nfs/dbraw/zinc/98/64/80/1390986480.db2.gz VNDVLFBEEFQSGG-ZIAGYGMSSA-N -1 1 333.432 2.477 20 0 EEADMM CCCN(CCNC(=O)c1ncccc1[O-])C(=O)C(C1CC1)C1CC1 ZINC001398233872 1391957303 /nfs/dbraw/zinc/95/73/03/1391957303.db2.gz WSZCRTBCMBBFCZ-UHFFFAOYSA-N -1 1 345.443 2.192 20 0 EEADMM CC(C)CC(C)(C)C(=O)N(C)CCN(C)C(=O)c1ncccc1[O-] ZINC001399694260 1395411081 /nfs/dbraw/zinc/41/10/81/1395411081.db2.gz KXXNPPFYVQNVQE-UHFFFAOYSA-N -1 1 335.448 2.390 20 0 EEADMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1NC(=O)CCC1CC1 ZINC001400344194 1396215923 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342.226 2.253 20 0 EEADMM CC1(C)C[C@H](NC(=O)c2ncccc2[O-])CCN(Cc2ccon2)C1 ZINC001089368138 798202995 /nfs/dbraw/zinc/20/29/95/798202995.db2.gz NBXWNAFEORRCJB-CYBMUJFWSA-N -1 1 344.415 2.196 20 0 EEADMM Cc1csc(NCC[N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000917583872 798279006 /nfs/dbraw/zinc/27/90/06/798279006.db2.gz YVFSNSJVWOCGOK-UHFFFAOYSA-N -1 1 333.385 2.120 20 0 EEADMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000828374807 798373210 /nfs/dbraw/zinc/37/32/10/798373210.db2.gz XXVMGSJZBVLAIU-BQBZGAKWSA-N -1 1 326.237 2.214 20 0 EEADMM CN(C[C@H]1CCCN1C(=O)CC1(C)CC1)C(=O)c1ncccc1[O-] ZINC001002701295 798482295 /nfs/dbraw/zinc/48/22/95/798482295.db2.gz ADNHJVWYOVFPMU-CYBMUJFWSA-N -1 1 331.416 2.040 20 0 EEADMM O=S(=O)([N-][C@H]1C[C@H](CO)C1)c1c(Cl)cc(F)cc1Cl ZINC000922062963 798797349 /nfs/dbraw/zinc/79/73/49/798797349.db2.gz YDRQOOPAWDHNQD-FKQCQYRASA-N -1 1 328.192 2.182 20 0 EEADMM Nc1nc(CC(=O)c2ccccc2)nn1-c1cc(F)cc(F)c1[O-] ZINC001212484095 798927063 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CCCC[C@@H](CNC(=O)C1CC(C)C1)NC(=O)c1ncccc1[O-] ZINC001443123636 1097544236 /nfs/dbraw/zinc/54/42/36/1097544236.db2.gz ZHTKGYRZLSEVPQ-RUXDESIVSA-N -1 1 333.432 2.238 20 0 EEADMM CC1(C(=O)N[C@@H](CNC(=O)c2ncccc2[O-])C2CCCCC2)CC1 ZINC001451790092 1097937628 /nfs/dbraw/zinc/93/76/28/1097937628.db2.gz LGRQIQSTHGSGNE-AWEZNQCLSA-N -1 1 345.443 2.382 20 0 EEADMM CCCC1(C(=O)N(C)CCN(C)C(=O)c2ncccc2[O-])CCC1 ZINC001452114336 1098224858 /nfs/dbraw/zinc/22/48/58/1098224858.db2.gz YMAHLLYWGGCPTN-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CCCC1(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC001452237493 1098337989 /nfs/dbraw/zinc/33/79/89/1098337989.db2.gz QSRPQVNNEHQWTF-KBPBESRZSA-N -1 1 345.443 2.382 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001445338453 1100575856 /nfs/dbraw/zinc/57/58/56/1100575856.db2.gz AYBOKCADWUNLPD-VFPJAPOESA-N -1 1 345.443 2.334 20 0 EEADMM CCC(CC)CC(=O)N(C)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001446632496 1101140626 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20 0 EEADMM CCC(CC)[C@@H](C)C(=O)NCC1(NC(=O)c2ncccc2[O-])CC1 ZINC001453451589 1106228732 /nfs/dbraw/zinc/22/87/32/1106228732.db2.gz UQKIHFBQZJYMLJ-GFCCVEGCSA-N -1 1 333.432 2.238 20 0 EEADMM CC[C@H](F)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001453575198 1106316315 /nfs/dbraw/zinc/31/63/15/1106316315.db2.gz PESCHPUNCBDTKM-GSPSYOTPSA-N -1 1 349.406 2.177 20 0 EEADMM CCC(CC)C(=O)N[C@@H]1CC12CCN(C(=O)c1ncccc1[O-])CC2 ZINC001493397688 1108072615 /nfs/dbraw/zinc/07/26/15/1108072615.db2.gz SZZGUXIWFWXNBS-OAHLLOKOSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@H](CCNC(=O)c1ccccc1Cl)NC(=O)c1ncccc1[O-] ZINC001455103336 1108212011 /nfs/dbraw/zinc/21/20/11/1108212011.db2.gz CCWDLXODDKMZFG-LLVKDONJSA-N -1 1 347.802 2.379 20 0 EEADMM O=C([N-]N1CCc2ccccc2C1=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001546090037 1109577447 /nfs/dbraw/zinc/57/74/47/1109577447.db2.gz CQMFQASPHPQSDJ-UHFFFAOYSA-N -1 1 348.362 2.126 20 0 EEADMM O=C(NCc1ccc(F)c(F)c1)c1nc[n-]c(=O)c1Br ZINC001464053132 1110386243 /nfs/dbraw/zinc/38/62/43/1110386243.db2.gz PBYICEXNKOYIDL-UHFFFAOYSA-N -1 1 344.115 2.153 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC001466789613 1110443744 /nfs/dbraw/zinc/44/37/44/1110443744.db2.gz ZKTLFLUWXQOGNV-GFCCVEGCSA-N -1 1 335.404 2.030 20 0 EEADMM O=C(NC[C@H](O)c1cccc(Br)c1)c1ccc([O-])cn1 ZINC001467445176 1110456346 /nfs/dbraw/zinc/45/63/46/1110456346.db2.gz HQSJHDBCWJDHSJ-ZDUSSCGKSA-N -1 1 337.173 2.013 20 0 EEADMM CCC(CC)(NC(=O)c1cc(C)n(CC2CC2)c1C)c1nn[n-]n1 ZINC001467794712 1110463802 /nfs/dbraw/zinc/46/38/02/1110463802.db2.gz WPWVACOOQZHOMV-UHFFFAOYSA-N -1 1 330.436 2.473 20 0 EEADMM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)ccc1[O-] ZINC001469309540 1110489019 /nfs/dbraw/zinc/48/90/19/1110489019.db2.gz NQCADJBLUYXUIU-HNNXBMFYSA-N -1 1 344.798 2.359 20 0 EEADMM Cc1nn(C)c(C)c1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001472549220 1110559107 /nfs/dbraw/zinc/55/91/07/1110559107.db2.gz RJVDIGZPLVXCQV-UHFFFAOYSA-N -1 1 346.778 2.433 20 0 EEADMM Cc1nn(C)c(C)c1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001472549220 1110559109 /nfs/dbraw/zinc/55/91/09/1110559109.db2.gz RJVDIGZPLVXCQV-UHFFFAOYSA-N -1 1 346.778 2.433 20 0 EEADMM COc1ccc([O-])c(S(=O)(=O)N[C@@H](C)Cc2ccccc2F)c1 ZINC001474864701 1110602467 /nfs/dbraw/zinc/60/24/67/1110602467.db2.gz OVWLMINQCCAMBG-NSHDSACASA-N -1 1 339.388 2.449 20 0 EEADMM Cc1n[nH]c(C(=O)NCC2(NCc3sccc3Cl)CC2)c1[O-] ZINC001499200790 1112175530 /nfs/dbraw/zinc/17/55/30/1112175530.db2.gz HHXPKNPHPDILBG-UHFFFAOYSA-N -1 1 340.836 2.191 20 0 EEADMM CCC(CC)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001501309462 1113290875 /nfs/dbraw/zinc/29/08/75/1113290875.db2.gz LZUSFPCEQAUNBL-KGLIPLIRSA-N -1 1 333.432 2.238 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)CC(=O)c1ccccc1 ZINC001519795864 1119106975 /nfs/dbraw/zinc/10/69/75/1119106975.db2.gz UJSDDVRBFMILME-VIFPVBQESA-N -1 1 331.397 2.171 20 0 EEADMM CCC[C@H]1CCC[C@@H]1C(=O)N(C)CCNC(=O)c1ncccc1[O-] ZINC001528063731 1120938648 /nfs/dbraw/zinc/93/86/48/1120938648.db2.gz JFFLRLCEGGGRFJ-KBPBESRZSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)c1cccc(C(=O)N(C)CCNC(=O)c2ncccc2[O-])c1 ZINC001528064233 1120939104 /nfs/dbraw/zinc/93/91/04/1120939104.db2.gz UCUFHSKDACAOSD-UHFFFAOYSA-N -1 1 341.411 2.413 20 0 EEADMM O=C([O-])[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1c1ccccc1 ZINC001549038212 1121074410 /nfs/dbraw/zinc/07/44/10/1121074410.db2.gz UKPDSCLOCQIDRJ-HZPDHXFCSA-N -1 1 344.436 2.165 20 0 EEADMM O=C([O-])[C@H]1CN(Cc2nc(Cc3cccc(F)c3)no2)C[C@@H]1C1CC1 ZINC001549116761 1121118028 /nfs/dbraw/zinc/11/80/28/1121118028.db2.gz LIRFJGOSNQQVJB-CABCVRRESA-N -1 1 345.374 2.342 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])C(=O)c1ccc(C)c(C)c1 ZINC001528814471 1121184842 /nfs/dbraw/zinc/18/48/42/1121184842.db2.gz HMQHUFFLTPFSDL-UHFFFAOYSA-N -1 1 341.411 2.296 20 0 EEADMM C[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)O1 ZINC001549869882 1121503068 /nfs/dbraw/zinc/50/30/68/1121503068.db2.gz HFHQNRSTJJVUIH-LRDDRELGSA-N -1 1 338.835 2.257 20 0 EEADMM O=C(CCCF)NC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001529984119 1121723751 /nfs/dbraw/zinc/72/37/51/1121723751.db2.gz SXLPZJCTUNGCFW-CQSZACIVSA-N -1 1 345.374 2.124 20 0 EEADMM COc1cnc(C(=O)[N-]c2nnc(-c3ccccc3OC)s2)nc1 ZINC001533813327 1123262344 /nfs/dbraw/zinc/26/23/44/1123262344.db2.gz DESHGIPSOANCMU-UHFFFAOYSA-N -1 1 343.368 2.265 20 0 EEADMM CC(C)CC(=O)N1CCC(C)(CNC(=O)c2ncccc2[O-])CC1 ZINC001537124547 1123948934 /nfs/dbraw/zinc/94/89/34/1123948934.db2.gz UENGTVYHTQEPDU-UHFFFAOYSA-N -1 1 333.432 2.192 20 0 EEADMM CO[C@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC001548416591 1124277685 /nfs/dbraw/zinc/27/76/85/1124277685.db2.gz ZPNIIZWFNJZIKY-AAEUAGOBSA-N -1 1 346.362 2.129 20 0 EEADMM CO[C@H]1C[C@H](c2nnc(C3CC3)[nH]2)N(C(=O)c2ccc([O-])cc2F)C1 ZINC001548501456 1124311373 /nfs/dbraw/zinc/31/13/73/1124311373.db2.gz NCBMVMBSTOVFCZ-SMDDNHRTSA-N -1 1 346.362 2.129 20 0 EEADMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H]1C[C@]1(C)c1ccccc1F ZINC001548653127 1124415133 /nfs/dbraw/zinc/41/51/33/1124415133.db2.gz ZFODOPNEAHYFKB-MEDUHNTESA-N -1 1 333.388 2.378 20 0 EEADMM C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548764117 1124486452 /nfs/dbraw/zinc/48/64/52/1124486452.db2.gz MNOXNAHZHLDOTK-GHMZBOCLSA-N -1 1 335.408 2.083 20 0 EEADMM O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001548764720 1124486951 /nfs/dbraw/zinc/48/69/51/1124486951.db2.gz LKMWMNNQHWUSDD-LURJTMIESA-N -1 1 347.247 2.126 20 0 EEADMM O=C([C@H](OC1CCCC1)c1ccccc1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001548768817 1124490630 /nfs/dbraw/zinc/49/06/30/1124490630.db2.gz PXNAOMUBHMDDIN-GDBMZVCRSA-N -1 1 341.415 2.216 20 0 EEADMM Cc1cccc(C2(C(=O)N3CC[C@H](c4nn[n-]n4)C3)CCCC2)c1 ZINC001548768921 1124491008 /nfs/dbraw/zinc/49/10/08/1124491008.db2.gz SLUGRWCGOKDFLP-AWEZNQCLSA-N -1 1 325.416 2.336 20 0 EEADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001552301642 1124899978 /nfs/dbraw/zinc/89/99/78/1124899978.db2.gz FFCJDYWKTKXXOR-KBPBESRZSA-N -1 1 327.384 2.478 20 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CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736404990 578201763 /nfs/dbraw/zinc/20/17/63/578201763.db2.gz CUJMHMPFVXJCAI-INIZCTEOSA-N -1 1 334.383 2.411 20 0 EEADMM CCC[C@@H](NC(=O)c1cc2cc(OC)ccc2nc1C)c1nn[n-]n1 ZINC000736431302 578203494 /nfs/dbraw/zinc/20/34/94/578203494.db2.gz IURSUOYQGHPXCQ-OAHLLOKOSA-N -1 1 340.387 2.336 20 0 EEADMM CCc1nn(Cc2cc(C)sc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706529 578219388 /nfs/dbraw/zinc/21/93/88/578219388.db2.gz MDRORKROEXGPNB-UHFFFAOYSA-N -1 1 344.444 2.275 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1nccnc1-c1nnn[n-]1 ZINC000737216636 578244015 /nfs/dbraw/zinc/24/40/15/578244015.db2.gz UYGBXDAHHXQLIY-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM Cc1c2cc(F)ccc2oc1CNc1nccnc1-c1nn[n-]n1 ZINC000737216636 578244016 /nfs/dbraw/zinc/24/40/16/578244016.db2.gz UYGBXDAHHXQLIY-UHFFFAOYSA-N -1 1 325.307 2.463 20 0 EEADMM Cc1cc([C@@H]2CCCN2c2c3ccccc3nnc2-c2nnn[n-]2)no1 ZINC000737263559 578246786 /nfs/dbraw/zinc/24/67/86/578246786.db2.gz MCABOTIUNZZHSL-AWEZNQCLSA-N 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EEADMM CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820583275 606180106 /nfs/dbraw/zinc/18/01/06/606180106.db2.gz BUVFREDVWRHWOO-FXAINCCUSA-N -1 1 334.401 2.289 20 0 EEADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)OC(=O)OC(C)C)n1 ZINC000822427589 606333361 /nfs/dbraw/zinc/33/33/61/606333361.db2.gz PQWIMYGSPJHYDI-SECBINFHSA-N -1 1 338.393 2.273 20 0 EEADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-n2cncn2)cc1 ZINC000820461533 606441849 /nfs/dbraw/zinc/44/18/49/606441849.db2.gz LRVXDLIWADUEBD-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-n2cncn2)cc1 ZINC000820461533 606441851 /nfs/dbraw/zinc/44/18/51/606441851.db2.gz LRVXDLIWADUEBD-LLVKDONJSA-N -1 1 333.359 2.016 20 0 EEADMM O=C(CCCc1c[nH]c2ccccc12)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822958796 606531094 /nfs/dbraw/zinc/53/10/94/606531094.db2.gz HSTJDGJRNYXAJP-UHFFFAOYSA-N -1 1 336.359 2.033 20 0 EEADMM O=C(CCCc1c[nH]c2ccccc12)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822958796 606531095 /nfs/dbraw/zinc/53/10/95/606531095.db2.gz HSTJDGJRNYXAJP-UHFFFAOYSA-N -1 1 336.359 2.033 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000821669531 606550907 /nfs/dbraw/zinc/55/09/07/606550907.db2.gz PUQHDEICNUUFDL-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000821669531 606550908 /nfs/dbraw/zinc/55/09/08/606550908.db2.gz PUQHDEICNUUFDL-UHFFFAOYSA-N -1 1 343.368 2.276 20 0 EEADMM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822361467 606576771 /nfs/dbraw/zinc/57/67/71/606576771.db2.gz BTXFVMYROYPYDN-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822361467 606576772 /nfs/dbraw/zinc/57/67/72/606576772.db2.gz BTXFVMYROYPYDN-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM CC(C)Cc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000820108692 606647783 /nfs/dbraw/zinc/64/77/83/606647783.db2.gz OHRRNXFGWFHFIS-UHFFFAOYSA-N -1 1 344.400 2.274 20 0 EEADMM CC(C)Cc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000820108692 606647784 /nfs/dbraw/zinc/64/77/84/606647784.db2.gz OHRRNXFGWFHFIS-UHFFFAOYSA-N -1 1 344.400 2.274 20 0 EEADMM COCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC000821686215 606739629 /nfs/dbraw/zinc/73/96/29/606739629.db2.gz FVQGWTNPYTWNSF-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM COCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC000821686215 606739631 /nfs/dbraw/zinc/73/96/31/606739631.db2.gz FVQGWTNPYTWNSF-UHFFFAOYSA-N -1 1 335.433 2.255 20 0 EEADMM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822496762 607048275 /nfs/dbraw/zinc/04/82/75/607048275.db2.gz UILMEPCCYUOSOO-LBPRGKRZSA-N -1 1 344.810 2.299 20 0 EEADMM Cc1nn(C)cc1[C@@H]1CCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822496762 607048277 /nfs/dbraw/zinc/04/82/77/607048277.db2.gz UILMEPCCYUOSOO-LBPRGKRZSA-N -1 1 344.810 2.299 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2nccnc2-c2nnn[n-]2)n1 ZINC000820570355 607118987 /nfs/dbraw/zinc/11/89/87/607118987.db2.gz ICUSCPOQTJVEMD-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM C[C@@H](c1ccccc1)n1ccc(Nc2nccnc2-c2nn[n-]n2)n1 ZINC000820570355 607118988 /nfs/dbraw/zinc/11/89/88/607118988.db2.gz ICUSCPOQTJVEMD-NSHDSACASA-N -1 1 333.359 2.206 20 0 EEADMM OC[C@H](CC(F)(F)F)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826507144 607935414 /nfs/dbraw/zinc/93/54/14/607935414.db2.gz JHRHINYKQDRJPR-QMMMGPOBSA-N -1 1 338.293 2.140 20 0 EEADMM OC[C@H](CC(F)(F)F)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826507144 607935415 /nfs/dbraw/zinc/93/54/15/607935415.db2.gz JHRHINYKQDRJPR-QMMMGPOBSA-N -1 1 338.293 2.140 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)CCO1 ZINC000824070956 608115883 /nfs/dbraw/zinc/11/58/83/608115883.db2.gz FAFKSOMDDKYHAR-SKDRFNHKSA-N -1 1 335.433 2.252 20 0 EEADMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)CCO1 ZINC000824070956 608115884 /nfs/dbraw/zinc/11/58/84/608115884.db2.gz FAFKSOMDDKYHAR-SKDRFNHKSA-N -1 1 335.433 2.252 20 0 EEADMM CN(Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825966007 608389787 /nfs/dbraw/zinc/38/97/87/608389787.db2.gz JZDJHVMZUKDZKM-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CN(Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825966007 608389789 /nfs/dbraw/zinc/38/97/89/608389789.db2.gz JZDJHVMZUKDZKM-UHFFFAOYSA-N -1 1 346.192 2.056 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000824261672 608406138 /nfs/dbraw/zinc/40/61/38/608406138.db2.gz OLAGBYFNAAIVNT-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM CC(C)CN(Cc1ccccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000824261672 608406140 /nfs/dbraw/zinc/40/61/40/608406140.db2.gz OLAGBYFNAAIVNT-UHFFFAOYSA-N -1 1 327.367 2.458 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CCOCC2)cc1 ZINC000826520283 608421167 /nfs/dbraw/zinc/42/11/67/608421167.db2.gz FEDGIRYMNZUAFS-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CCOCC2)cc1 ZINC000826520283 608421168 /nfs/dbraw/zinc/42/11/68/608421168.db2.gz FEDGIRYMNZUAFS-INIZCTEOSA-N -1 1 337.387 2.237 20 0 EEADMM Cc1cnc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826318300 609279461 /nfs/dbraw/zinc/27/94/61/609279461.db2.gz CNEKXQQTRCNIIK-UHFFFAOYSA-N -1 1 340.322 2.100 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(C/C=C\c3ccccc3)C2)c1[O-] ZINC000969505763 675080729 /nfs/dbraw/zinc/08/07/29/675080729.db2.gz FIGLEFJSBCFPAY-XURPKSDJSA-N -1 1 340.427 2.187 20 0 EEADMM O=C(NC[C@@H]1CCN1Cc1ccccc1Cl)c1ncccc1[O-] ZINC001038190680 675999358 /nfs/dbraw/zinc/99/93/58/675999358.db2.gz COTMZXYZOLFYTR-ZDUSSCGKSA-N -1 1 331.803 2.445 20 0 EEADMM CCC(CC)C(=O)N1CC[C@H](CNC(=O)c2ncccc2[O-])[C@H](C)C1 ZINC001020701681 675425860 /nfs/dbraw/zinc/42/58/60/675425860.db2.gz UHIDHNLTEQDJPT-UKRRQHHQSA-N -1 1 347.459 2.438 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000078784514 675426367 /nfs/dbraw/zinc/42/63/67/675426367.db2.gz CBLHJLQSWRQYLH-UHFFFAOYSA-N -1 1 340.427 2.164 20 0 EEADMM O=C(NCCn1cc(Br)cn1)c1c([O-])cccc1Cl ZINC000804692572 675544596 /nfs/dbraw/zinc/54/45/96/675544596.db2.gz KTFGHQHPVVSYKX-UHFFFAOYSA-N -1 1 344.596 2.435 20 0 EEADMM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)[C@@H](C)c3ccccc3F)C2)c1[O-] ZINC000971350549 676496608 /nfs/dbraw/zinc/49/66/08/676496608.db2.gz HOMAWYQXLJALDW-QWHCGFSZSA-N -1 1 346.406 2.470 20 0 EEADMM CC(C)c1ocnc1CN(C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000971395555 676521488 /nfs/dbraw/zinc/52/14/88/676521488.db2.gz WUQBJUFVFQAGMB-CYBMUJFWSA-N -1 1 344.415 2.245 20 0 EEADMM O=C([N-]c1ccon1)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000891695050 676783289 /nfs/dbraw/zinc/78/32/89/676783289.db2.gz WKRWTYLCEQADLE-UHFFFAOYSA-N -1 1 342.323 2.389 20 0 EEADMM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1cn(C2CC2)nn1 ZINC000891866901 676874719 /nfs/dbraw/zinc/87/47/19/676874719.db2.gz KJQCZYHZHAQAIN-UHFFFAOYSA-N -1 1 344.375 2.447 20 0 EEADMM COCc1nc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc(=O)[n-]1 ZINC000892313431 678713324 /nfs/dbraw/zinc/71/33/24/678713324.db2.gz CCDBFAFOOUWHMZ-GFCCVEGCSA-N -1 1 329.356 2.399 20 0 EEADMM Cc1nc(NC(=O)c2ccccc2[O-])sc1C1N=NC(=S)N1C ZINC000179444622 679830957 /nfs/dbraw/zinc/83/09/57/679830957.db2.gz LGMXPYSYZUYEIN-UHFFFAOYSA-N -1 1 347.425 2.494 20 0 EEADMM O=C(NC[C@H]1CCCCN1Cc1cncs1)c1ncccc1[O-] ZINC001024407840 679891981 /nfs/dbraw/zinc/89/19/81/679891981.db2.gz RQWNWOHDJMRZSP-GFCCVEGCSA-N -1 1 332.429 2.028 20 0 EEADMM C[C@H]1[C@H](C(=O)[N-]OCc2ccccn2)CCN1C(=O)OC(C)(C)C ZINC000909542710 685461458 /nfs/dbraw/zinc/46/14/58/685461458.db2.gz XOGZIGQKXYDOAB-GXTWGEPZSA-N -1 1 335.404 2.275 20 0 EEADMM Cc1cccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000937211576 681682381 /nfs/dbraw/zinc/68/23/81/681682381.db2.gz MFDFUPYGBNRTGY-HNNXBMFYSA-N -1 1 339.395 2.082 20 0 EEADMM CN(C(=O)C[C@@H]1CC=CCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216951 681701751 /nfs/dbraw/zinc/70/17/51/681701751.db2.gz PKTWRWSXXXKIMT-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM COc1cccc([C@@H](CNC(=O)C2CCC(C(=O)[O-])CC2)N(C)C)c1 ZINC000327589310 681933505 /nfs/dbraw/zinc/93/35/05/681933505.db2.gz HNICCXAWZRKUBC-MQBCKMQZSA-N -1 1 348.443 2.305 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)o1 ZINC000983460636 682697384 /nfs/dbraw/zinc/69/73/84/682697384.db2.gz KIQIUDAMYQFUJJ-QWHCGFSZSA-N -1 1 343.383 2.160 20 0 EEADMM C[C@@]1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909407592 683182506 /nfs/dbraw/zinc/18/25/06/683182506.db2.gz UDVTWGDUUJJGBT-HNAYVOBHSA-N -1 1 330.428 2.151 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@H](c2ccccc2)C2CCC2)C1 ZINC000909408263 683185898 /nfs/dbraw/zinc/18/58/98/683185898.db2.gz CVNIHJCJLUFCCS-FUHWJXTLSA-N -1 1 330.428 2.441 20 0 EEADMM C/C=C(\C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973729667 683196774 /nfs/dbraw/zinc/19/67/74/683196774.db2.gz YZUYCGLRSFJUAA-YVKYJFHKSA-N -1 1 343.427 2.207 20 0 EEADMM CCc1c[nH]c2ncnc(N3CC[C@](C)([N-]C(=O)C(F)(F)F)C3)c12 ZINC000895038468 683484332 /nfs/dbraw/zinc/48/43/32/683484332.db2.gz FPLJQAYDAGZNBL-AWEZNQCLSA-N -1 1 341.337 2.168 20 0 EEADMM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000324208919 683601562 /nfs/dbraw/zinc/60/15/62/683601562.db2.gz OVPOVGAZVSVHCM-RRFJBIMHSA-N -1 1 334.416 2.424 20 0 EEADMM Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H](C)c2ccccc2)c1[O-] ZINC001029274239 683778330 /nfs/dbraw/zinc/77/83/30/683778330.db2.gz JGTWTZPSTARUNK-BMFZPTHFSA-N -1 1 340.427 2.474 20 0 EEADMM C[C@@H]1CCN(C(=O)CC2(C)CC2)[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000983921315 683794011 /nfs/dbraw/zinc/79/40/11/683794011.db2.gz JMDHOAVOMSGPFS-KGLIPLIRSA-N -1 1 345.443 2.334 20 0 EEADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1-n1cnnn1 ZINC000181156504 684097901 /nfs/dbraw/zinc/09/79/01/684097901.db2.gz VMMRVQRWFPQADM-UHFFFAOYSA-N -1 1 345.746 2.282 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000984199513 684224697 /nfs/dbraw/zinc/22/46/97/684224697.db2.gz CWHYDHAAYBBVHO-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM O=C(CNC(=O)c1ccc2ccc(O)cc2c1[O-])NC1CCCCC1 ZINC000895979576 684794464 /nfs/dbraw/zinc/79/44/64/684794464.db2.gz WVBUVXKAINMPQI-UHFFFAOYSA-N -1 1 342.395 2.430 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1ncc(F)cc1F ZINC000194573556 684950627 /nfs/dbraw/zinc/95/06/27/684950627.db2.gz LKXZTJGYMLCOFF-UHFFFAOYSA-N -1 1 330.088 2.475 20 0 EEADMM C/C(=C\C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059514395 686259227 /nfs/dbraw/zinc/25/92/27/686259227.db2.gz CALZXKUMNNTTON-CMPYXILNSA-N -1 1 343.427 2.112 20 0 EEADMM O=C(NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1)c1ccccc1 ZINC001059515217 686279587 /nfs/dbraw/zinc/27/95/87/686279587.db2.gz UPORVPMLHRTFEK-AWEZNQCLSA-N -1 1 339.395 2.069 20 0 EEADMM CC[C@H](C)CC(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059547014 686623825 /nfs/dbraw/zinc/62/38/25/686623825.db2.gz HMHRTOVJGLWJNX-UONOGXRCSA-N -1 1 333.432 2.192 20 0 EEADMM CC(C)C1(C(=O)N2CCCC[C@H]2CNC(=O)c2ncccc2[O-])CC1 ZINC000975914970 687002382 /nfs/dbraw/zinc/00/23/82/687002382.db2.gz LFLUVOFAKYQOMH-AWEZNQCLSA-N -1 1 345.443 2.334 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000936453486 687252742 /nfs/dbraw/zinc/25/27/42/687252742.db2.gz ODQFTBLDPAGDKW-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CC(C)(C)CC(=O)N1C[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C1 ZINC000985729259 687573400 /nfs/dbraw/zinc/57/34/00/687573400.db2.gz MSSBPVPELITVSF-KGLIPLIRSA-N -1 1 345.443 2.144 20 0 EEADMM COc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])c(OC)c1OC ZINC000320815312 687811948 /nfs/dbraw/zinc/81/19/48/687811948.db2.gz RRVCRZMLEBXZRD-LBPRGKRZSA-N -1 1 341.429 2.105 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001029899186 688198001 /nfs/dbraw/zinc/19/80/01/688198001.db2.gz TYLOEVHRZRSJRH-HNNXBMFYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@H](C(=O)N[C@@H]1CCCCCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC000987001514 689206554 /nfs/dbraw/zinc/20/65/54/689206554.db2.gz FQBUUEMZJFJWLF-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1c([C@H](NCc2csc(Br)c2)C(=O)[O-])cnn1C ZINC000904047602 694282792 /nfs/dbraw/zinc/28/27/92/694282792.db2.gz HHQOKULEZCGLRQ-NSHDSACASA-N -1 1 344.234 2.468 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000979207972 694284260 /nfs/dbraw/zinc/28/42/60/694284260.db2.gz YGPOOOFGSMIZIA-KBXIAJHMSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)(C)C(=O)N1CCCCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC000987146139 689420142 /nfs/dbraw/zinc/42/01/42/689420142.db2.gz MGXREBQSOKXPEV-CYBMUJFWSA-N -1 1 333.432 2.334 20 0 EEADMM COC(=O)CCCCCCC[N-]S(=O)(=O)c1cc(C)ns1 ZINC000866957642 689641114 /nfs/dbraw/zinc/64/11/14/689641114.db2.gz MOKXEVUQIODUEZ-UHFFFAOYSA-N -1 1 334.463 2.243 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C(F)=C1CCCC1 ZINC000987669921 689936080 /nfs/dbraw/zinc/93/60/80/689936080.db2.gz CILWOWUFQWTAAQ-YPMHNXCESA-N -1 1 347.390 2.304 20 0 EEADMM Cc1ccccc1C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC000987669816 689936479 /nfs/dbraw/zinc/93/64/79/689936479.db2.gz AWYPFAVJFVMHNL-HIFRSBDPSA-N -1 1 339.395 2.129 20 0 EEADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C[C@@H]1C=CCCC1 ZINC000987678112 689944053 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CC(C)[C@H](C)CC(=O)N(C)CCCN(C)C(=O)c1ncccc1[O-] ZINC001066991791 1224034013 /nfs/dbraw/zinc/03/40/13/1224034013.db2.gz UYIIFNGUFPBEBL-CQSZACIVSA-N -1 1 335.448 2.390 20 0 EEADMM CC(C)CC(=O)N1CC[C@@]2(NC(=O)c3ncccc3[O-])CCC[C@@H]12 ZINC001014254127 1226416812 /nfs/dbraw/zinc/41/68/12/1226416812.db2.gz XUYGKPZOODWFHV-KDOFPFPSSA-N -1 1 331.416 2.087 20 0 EEADMM CCCc1nsc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C)n1 ZINC001067077220 1226557405 /nfs/dbraw/zinc/55/74/05/1226557405.db2.gz ZVBBRBAUCHCXHI-WDEREUQCSA-N -1 1 347.444 2.164 20 0 EEADMM O=C(c1ncccc1[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1cccnc1 ZINC001039556027 1230692725 /nfs/dbraw/zinc/69/27/25/1230692725.db2.gz VGADKJZBWUPDRI-IYBDPMFKSA-N -1 1 338.411 2.061 20 0 EEADMM Cc1ccc(NC[C@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]2C)nn1 ZINC001039867126 1230869981 /nfs/dbraw/zinc/86/99/81/1230869981.db2.gz ZGCFHFYSTXQBIG-JSGCOSHPSA-N -1 1 341.415 2.096 20 0 EEADMM CN(C(=O)c1ncccc1[O-])C1CN(CCCc2ccccc2)C1 ZINC001042645699 1232128199 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ZINC001605070226 1351071778 /nfs/dbraw/zinc/07/17/78/1351071778.db2.gz WXYJHVJAFKKZHM-QGZVFWFLSA-N -1 1 330.388 2.024 20 0 EEADMM CCCCC[C@H](C)NC(=O)CN1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001605255057 1351117335 /nfs/dbraw/zinc/11/73/35/1351117335.db2.gz LTNQUUFMZBJJSU-OTJKEOIZSA-N -1 1 340.464 2.166 20 0 EEADMM COc1cccc(OC)c1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001605323106 1351136501 /nfs/dbraw/zinc/13/65/01/1351136501.db2.gz JVXNXXKEYAPLGQ-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM COc1cccc(OC)c1CNc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605323106 1351136505 /nfs/dbraw/zinc/13/65/05/1351136505.db2.gz JVXNXXKEYAPLGQ-UHFFFAOYSA-N -1 1 341.375 2.097 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001306826361 1331490009 /nfs/dbraw/zinc/49/00/09/1331490009.db2.gz LLEVMQLXAQZJKZ-LBPRGKRZSA-N -1 1 345.786 2.428 20 0 EEADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1cc(Cl)ccc1Cl ZINC001608357374 1351677696 /nfs/dbraw/zinc/67/76/96/1351677696.db2.gz NLDAIOXBDNUMMA-LBPRGKRZSA-N 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1351749539 /nfs/dbraw/zinc/74/95/39/1351749539.db2.gz VRKBXSBFXXHQMI-MRXNPFEDSA-N -1 1 334.391 2.081 20 0 EEADMM O=C([O-])[C@@H]1CN(C(=O)c2c(O)cccc2F)C[C@H]1c1ccccc1 ZINC001608807925 1351768210 /nfs/dbraw/zinc/76/82/10/1351768210.db2.gz YIJRHHMPRCMHFB-QWHCGFSZSA-N -1 1 329.327 2.472 20 0 EEADMM O=C([O-])c1cc(S(=O)(=O)Oc2ccc(C3CC3)cc2Cl)[nH]n1 ZINC001608862996 1351780775 /nfs/dbraw/zinc/78/07/75/1351780775.db2.gz MJJFPRNHGJNPGV-UHFFFAOYSA-N -1 1 342.760 2.406 20 0 EEADMM C[C@@H](C(=O)N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(F)c(F)c1 ZINC001322141300 1333216034 /nfs/dbraw/zinc/21/60/34/1333216034.db2.gz OZXVBEPNOVPOKJ-BMIGLBTASA-N -1 1 343.337 2.487 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609103647 1351844996 /nfs/dbraw/zinc/84/49/96/1351844996.db2.gz IMSWSKLNJGUNED-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1cccc(OC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609103647 1351845000 /nfs/dbraw/zinc/84/50/00/1351845000.db2.gz IMSWSKLNJGUNED-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1nc(-c2nnn[n-]2)cs1 ZINC001609152316 1351864565 /nfs/dbraw/zinc/86/45/65/1351864565.db2.gz AHVZCFHHIKZDAG-SFYZADRCSA-N -1 1 332.355 2.486 20 0 EEADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1nc(-c2nn[n-]n2)cs1 ZINC001609152316 1351864568 /nfs/dbraw/zinc/86/45/68/1351864568.db2.gz AHVZCFHHIKZDAG-SFYZADRCSA-N -1 1 332.355 2.486 20 0 EEADMM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609177599 1351877666 /nfs/dbraw/zinc/87/76/66/1351877666.db2.gz ZGNWBOFMYOWMAQ-XCBNKYQSSA-N -1 1 333.339 2.080 20 0 EEADMM Cc1nn(C)cc1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001326353280 1334074708 /nfs/dbraw/zinc/07/47/08/1334074708.db2.gz BFCWVSQATNOXEH-UHFFFAOYSA-N -1 1 325.372 2.396 20 0 EEADMM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001609216470 1351896951 /nfs/dbraw/zinc/89/69/51/1351896951.db2.gz LJXYREAFRGWQPU-UHFFFAOYSA-N -1 1 349.372 2.049 20 0 EEADMM CCc1cnc(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)o1 ZINC001609253831 1351910663 /nfs/dbraw/zinc/91/06/63/1351910663.db2.gz RHJNJHCBXHOGPJ-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CCc1cnc(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)o1 ZINC001609253831 1351910667 /nfs/dbraw/zinc/91/06/67/1351910667.db2.gz RHJNJHCBXHOGPJ-UHFFFAOYSA-N -1 1 339.281 2.443 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609331734 1351935218 /nfs/dbraw/zinc/93/52/18/1351935218.db2.gz BJFPOUGXCPDXJO-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609331734 1351935222 /nfs/dbraw/zinc/93/52/22/1351935222.db2.gz BJFPOUGXCPDXJO-RYUDHWBXSA-N -1 1 330.392 2.092 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cccnc2-c2nnn[n-]2)c1 ZINC001609362330 1351947237 /nfs/dbraw/zinc/94/72/37/1351947237.db2.gz JOMIHXYFOVLLJN-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM COc1cccc(O[C@H](C)CNc2cccnc2-c2nn[n-]n2)c1 ZINC001609362330 1351947240 /nfs/dbraw/zinc/94/72/40/1351947240.db2.gz JOMIHXYFOVLLJN-LLVKDONJSA-N -1 1 326.360 2.150 20 0 EEADMM C[C@@]12CN(c3c4ccccc4nnc3-c3nnn[n-]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375591 1351950661 /nfs/dbraw/zinc/95/06/61/1351950661.db2.gz ODRQQOXEHLVUAH-XEIPEAKMSA-N -1 1 345.410 2.458 20 0 EEADMM C[C@@]12CN(c3c4ccccc4nnc3-c3nn[n-]n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001609375591 1351950665 /nfs/dbraw/zinc/95/06/65/1351950665.db2.gz ODRQQOXEHLVUAH-XEIPEAKMSA-N -1 1 345.410 2.458 20 0 EEADMM Cc1cc(N2CCC(O)(c3ccccc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001609404773 1351963492 /nfs/dbraw/zinc/96/34/92/1351963492.db2.gz KRLNZYLEYMXBSJ-UHFFFAOYSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1cc(N2CCC(O)(c3ccccc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001609404773 1351963494 /nfs/dbraw/zinc/96/34/94/1351963494.db2.gz KRLNZYLEYMXBSJ-UHFFFAOYSA-N -1 1 336.399 2.058 20 0 EEADMM Cc1ccc(CC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001609421851 1351970475 /nfs/dbraw/zinc/97/04/75/1351970475.db2.gz FBGIFPPJTWBMFK-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1ccc(CC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001609421851 1351970476 /nfs/dbraw/zinc/97/04/76/1351970476.db2.gz FBGIFPPJTWBMFK-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H](C)CCc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001609444042 1351979918 /nfs/dbraw/zinc/97/99/18/1351979918.db2.gz GUJOOAJCGFQBQN-SECBINFHSA-N -1 1 343.366 2.245 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCC(F)(F)c1ccccc1 ZINC001609467501 1351988724 /nfs/dbraw/zinc/98/87/24/1351988724.db2.gz JAIDASQYVVSNDG-UHFFFAOYSA-N -1 1 333.298 2.290 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCC(F)(F)c1ccccc1 ZINC001609467501 1351988727 /nfs/dbraw/zinc/98/87/27/1351988727.db2.gz JAIDASQYVVSNDG-UHFFFAOYSA-N -1 1 333.298 2.290 20 0 EEADMM FC(F)(F)Oc1ccc(Cn2ccn3ncc(-c4nn[n-]n4)c23)cc1 ZINC001609484513 1351993852 /nfs/dbraw/zinc/99/38/52/1351993852.db2.gz PCRHFQAWILIPFJ-UHFFFAOYSA-N -1 1 349.276 2.263 20 0 EEADMM Fc1ccc(CNc2nnc3ccccn32)c(Cl)c1-c1nnn[n-]1 ZINC001609490796 1351997215 /nfs/dbraw/zinc/99/72/15/1351997215.db2.gz YRNBXDOZQVCSIG-UHFFFAOYSA-N -1 1 344.741 2.314 20 0 EEADMM Fc1ccc(CNc2nnc3ccccn32)c(Cl)c1-c1nn[n-]n1 ZINC001609490796 1351997217 /nfs/dbraw/zinc/99/72/17/1351997217.db2.gz YRNBXDOZQVCSIG-UHFFFAOYSA-N -1 1 344.741 2.314 20 0 EEADMM O=C(OCCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609574751 1352021569 /nfs/dbraw/zinc/02/15/69/1352021569.db2.gz RERKGONETDHEHP-UHFFFAOYSA-N -1 1 332.291 2.225 20 0 EEADMM CC(C)C[C@@H](CN1CC[C@](F)(C(=O)[O-])C1)NC(=O)OC(C)(C)C ZINC001609692245 1352060994 /nfs/dbraw/zinc/06/09/94/1352060994.db2.gz KZZJMWBRSDLBHQ-BLLLJJGKSA-N -1 1 332.416 2.424 20 0 EEADMM C[C@@H](NC(=S)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1cccs1 ZINC001609772415 1352081838 /nfs/dbraw/zinc/08/18/38/1352081838.db2.gz CVUXDECQMTWQNP-NWDGAFQWSA-N -1 1 341.502 2.164 20 0 EEADMM C[C@]1(c2ccccc2)CC(=O)N(CN2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC001609825838 1352095093 /nfs/dbraw/zinc/09/50/93/1352095093.db2.gz ZZICLDCLLVHIJH-LPHOPBHVSA-N -1 1 342.439 2.321 20 0 EEADMM O=C([O-])[C@@H](O)CCNCc1oc2ccccc2c1Br ZINC001339253435 1336981260 /nfs/dbraw/zinc/98/12/60/1336981260.db2.gz ANIXVELSEYVRNA-VIFPVBQESA-N -1 1 328.162 2.121 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc2c1CCCC2 ZINC001609869474 1352107633 /nfs/dbraw/zinc/10/76/33/1352107633.db2.gz FCWJUTLUXBAGSV-CQSZACIVSA-N -1 1 330.428 2.186 20 0 EEADMM CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001609927324 1352121765 /nfs/dbraw/zinc/12/17/65/1352121765.db2.gz YMAMJVCYBQFJRL-WBVHZDCISA-N -1 1 347.459 2.198 20 0 EEADMM CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1 ZINC001609940643 1352124563 /nfs/dbraw/zinc/12/45/63/1352124563.db2.gz MODPTBJHNCJLBE-JKSUJKDBSA-N -1 1 348.443 2.160 20 0 EEADMM C[C@@H]1CCCN1c1nnc(-c2c[n-][nH]c2=O)n1Cc1cccs1 ZINC001343602914 1337340443 /nfs/dbraw/zinc/34/04/43/1337340443.db2.gz PAPYNZSUMUGUSG-SNVBAGLBSA-N -1 1 330.417 2.472 20 0 EEADMM CCC[C@@H](NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)C(C)(C)C ZINC001609957344 1352130053 /nfs/dbraw/zinc/13/00/53/1352130053.db2.gz ZBBBUWBZJWNADX-ZIAGYGMSSA-N -1 1 327.469 2.392 20 0 EEADMM CN(C)[C@H](CNC(=O)c1ccoc1CC(=O)[O-])c1cccc(F)c1 ZINC001610097734 1352161656 /nfs/dbraw/zinc/16/16/56/1352161656.db2.gz LNINAFANROCHPY-CQSZACIVSA-N -1 1 334.347 2.079 20 0 EEADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCC[C@H](OC2CCC2)C1 ZINC000848301768 1338658409 /nfs/dbraw/zinc/65/84/09/1338658409.db2.gz DYSIMSMEYHMNSX-ZDUSSCGKSA-N -1 1 332.429 2.192 20 0 EEADMM Cc1c(NS(=O)(=O)c2c(C)cc(C)cc2C)cnn1CC(=O)[O-] ZINC001610452109 1352224589 /nfs/dbraw/zinc/22/45/89/1352224589.db2.gz ATZXYONJFZMULH-UHFFFAOYSA-N -1 1 337.401 2.002 20 0 EEADMM Cc1cccc(NC(=S)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1C ZINC001610524518 1352238357 /nfs/dbraw/zinc/23/83/57/1352238357.db2.gz WFGXWLZGKRWPHC-ZDUSSCGKSA-N -1 1 335.473 2.481 20 0 EEADMM O=C([O-])[C@H](c1ccccc1)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC001610726319 1352265574 /nfs/dbraw/zinc/26/55/74/1352265574.db2.gz SPTVJFCNQAXLDU-KRWDZBQOSA-N -1 1 345.443 2.472 20 0 EEADMM C[C@H](C[C@H](C)NC(=O)C1C(C)(C)C1(C)C)NC(=O)c1ncccc1[O-] ZINC001428562371 1339570764 /nfs/dbraw/zinc/57/07/64/1339570764.db2.gz JBAIYXDVOOVYEX-NEPJUHHUSA-N -1 1 347.459 2.483 20 0 EEADMM O=C([O-])c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC001610869936 1352288294 /nfs/dbraw/zinc/28/82/94/1352288294.db2.gz OOZWTVABEOPRTL-UHFFFAOYSA-N -1 1 330.724 2.373 20 0 EEADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001611103819 1352294514 /nfs/dbraw/zinc/29/45/14/1352294514.db2.gz QSDWEWGZUFFTRA-UHFFFAOYSA-N -1 1 327.344 2.303 20 0 EEADMM O=S(=O)([N-][C@@H]1Cc2ccccc2[C@H]1O)c1cc2ccccc2o1 ZINC001622661209 1352324418 /nfs/dbraw/zinc/32/44/18/1352324418.db2.gz XOYRZPXBHOTIBN-RHSMWYFYSA-N -1 1 329.377 2.369 20 0 EEADMM CCc1ccccc1CCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001434858346 1341970555 /nfs/dbraw/zinc/97/05/55/1341970555.db2.gz ZTHNOZSJWZBEBV-UHFFFAOYSA-N -1 1 339.439 2.350 20 0 EEADMM CC(=O)c1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1C ZINC001557724321 1342453951 /nfs/dbraw/zinc/45/39/51/1342453951.db2.gz NMJXIOAVMVMQAI-MRXNPFEDSA-N -1 1 335.367 2.230 20 0 EEADMM CCC[C@H](C)CCNC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001577300450 1344124477 /nfs/dbraw/zinc/12/44/77/1344124477.db2.gz ICXMIGWKEDAWJX-JTQLQIEISA-N -1 1 333.396 2.218 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)[C@@H]1SC ZINC001578383581 1344271055 /nfs/dbraw/zinc/27/10/55/1344271055.db2.gz ZNFOBYLJTOETQY-JKMUOGBPSA-N -1 1 346.869 2.298 20 0 EEADMM CCO[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)[C@@H]1SC ZINC001578383581 1344271059 /nfs/dbraw/zinc/27/10/59/1344271059.db2.gz ZNFOBYLJTOETQY-JKMUOGBPSA-N -1 1 346.869 2.298 20 0 EEADMM CN(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)o2)ccc1Cl ZINC001578996876 1344327848 /nfs/dbraw/zinc/32/78/48/1344327848.db2.gz GNCJZHOOEDFWAA-UHFFFAOYSA-N -1 1 332.751 2.431 20 0 EEADMM COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001579478848 1344386557 /nfs/dbraw/zinc/38/65/57/1344386557.db2.gz XSFDQTUMCANTLO-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001579478848 1344386563 /nfs/dbraw/zinc/38/65/63/1344386563.db2.gz XSFDQTUMCANTLO-UHFFFAOYSA-N -1 1 347.356 2.177 20 0 EEADMM COc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001579881290 1344425966 /nfs/dbraw/zinc/42/59/66/1344425966.db2.gz HVJVKWYROWQMSF-UHFFFAOYSA-N -1 1 347.281 2.111 20 0 EEADMM COc1cc(C)ccc1OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001579918405 1344431701 /nfs/dbraw/zinc/43/17/01/1344431701.db2.gz LJHQULCYALHGSK-UHFFFAOYSA-N -1 1 345.746 2.451 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CC3CCC2CC3)cc1-c1nn[n-]n1 ZINC001580132741 1344477421 /nfs/dbraw/zinc/47/74/21/1344477421.db2.gz DUGXMGJCIXQIHH-RTYFJBAXSA-N -1 1 328.376 2.035 20 0 EEADMM Cc1cn(CC(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c2ccccc12 ZINC001581309994 1344615616 /nfs/dbraw/zinc/61/56/16/1344615616.db2.gz RHBAWCKQECAWJO-UHFFFAOYSA-N -1 1 347.382 2.188 20 0 EEADMM Cc1cn(CC(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)c2ccccc12 ZINC001581309994 1344615622 /nfs/dbraw/zinc/61/56/22/1344615622.db2.gz RHBAWCKQECAWJO-UHFFFAOYSA-N -1 1 347.382 2.188 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc2ccncc2c1 ZINC001582551484 1344761681 /nfs/dbraw/zinc/76/16/81/1344761681.db2.gz MPPLQOJFVSPDJY-UHFFFAOYSA-N -1 1 336.380 2.406 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cc2ccccc2nc1Cl ZINC001582650277 1344777331 /nfs/dbraw/zinc/77/73/31/1344777331.db2.gz SWQRVMBDYPDCAG-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM OCCOc1ccc(Nc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001582813758 1344795363 /nfs/dbraw/zinc/79/53/63/1344795363.db2.gz CLKVPFGJTUDVRV-UHFFFAOYSA-N -1 1 338.780 2.091 20 0 EEADMM C=C/C(C)=C\CC(=O)N[C@@H](C)CNc1snc(C)c1-c1nn[n-]n1 ZINC001588515870 1348911528 /nfs/dbraw/zinc/91/15/28/1348911528.db2.gz JNOFCUVPJNLGST-MBACFSSFSA-N -1 1 347.448 2.071 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001589098625 1348958993 /nfs/dbraw/zinc/95/89/93/1348958993.db2.gz CLJMUFDKIYIWLA-UWVGGRQHSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001589098625 1348958998 /nfs/dbraw/zinc/95/89/98/1348958998.db2.gz CLJMUFDKIYIWLA-UWVGGRQHSA-N -1 1 349.464 2.337 20 0 EEADMM CC(C)([N-]C(=O)C(F)(F)C(F)F)c1cccc(-c2nn[nH]n2)c1 ZINC001589313702 1348982403 /nfs/dbraw/zinc/98/24/03/1348982403.db2.gz FINVKAVJRZEQFB-UHFFFAOYSA-N -1 1 331.273 2.118 20 0 EEADMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1cnn(C)c1 ZINC001589477005 1348994161 /nfs/dbraw/zinc/99/41/61/1348994161.db2.gz YBRBKIQNSUSHQV-AWEZNQCLSA-N -1 1 339.407 2.077 20 0 EEADMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1cnn(C)c1 ZINC001589477005 1348994165 /nfs/dbraw/zinc/99/41/65/1348994165.db2.gz YBRBKIQNSUSHQV-AWEZNQCLSA-N -1 1 339.407 2.077 20 0 EEADMM CC(C)C1CCC(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001589501633 1348997499 /nfs/dbraw/zinc/99/74/99/1348997499.db2.gz IHARCPZAHPCPRD-UHFFFAOYSA-N -1 1 328.420 2.454 20 0 EEADMM CC(C)C1CCC(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001589501633 1348997502 /nfs/dbraw/zinc/99/75/02/1348997502.db2.gz IHARCPZAHPCPRD-UHFFFAOYSA-N -1 1 328.420 2.454 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001589707852 1349021673 /nfs/dbraw/zinc/02/16/73/1349021673.db2.gz QQCAXVCWHSNXJL-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM CC(C)N(Cc1cccs1)C(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001589707852 1349021677 /nfs/dbraw/zinc/02/16/77/1349021677.db2.gz QQCAXVCWHSNXJL-UHFFFAOYSA-N -1 1 328.401 2.374 20 0 EEADMM CC(C)Oc1ccc([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001589754700 1349029719 /nfs/dbraw/zinc/02/97/19/1349029719.db2.gz YQXJBCAUHLDCAQ-NSHDSACASA-N -1 1 325.376 2.039 20 0 EEADMM CC(C)Oc1cccc(COC(=O)c2ccnc(-c3nnn[n-]3)c2)c1 ZINC001589758790 1349031420 /nfs/dbraw/zinc/03/14/20/1349031420.db2.gz WNBZCTYESPWHFE-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)Oc1cccc(COC(=O)c2ccnc(-c3nn[n-]n3)c2)c1 ZINC001589758790 1349031426 /nfs/dbraw/zinc/03/14/26/1349031426.db2.gz WNBZCTYESPWHFE-UHFFFAOYSA-N -1 1 339.355 2.406 20 0 EEADMM CC(C)c1cccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)n1 ZINC001589769857 1349035572 /nfs/dbraw/zinc/03/55/72/1349035572.db2.gz UCYVURMHMLNVJM-UHFFFAOYSA-N -1 1 349.398 2.373 20 0 EEADMM CC(C)c1cccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)n1 ZINC001589769857 1349035576 /nfs/dbraw/zinc/03/55/76/1349035576.db2.gz UCYVURMHMLNVJM-UHFFFAOYSA-N -1 1 349.398 2.373 20 0 EEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1cccnc1-c1nnn[n-]1 ZINC001589812278 1349050347 /nfs/dbraw/zinc/05/03/47/1349050347.db2.gz MOFSJLXYQLUVBT-NSHDSACASA-N -1 1 347.423 2.367 20 0 EEADMM C[C@@H](CCCNC(=O)OC(C)(C)C)Nc1cccnc1-c1nn[n-]n1 ZINC001589812278 1349050353 /nfs/dbraw/zinc/05/03/53/1349050353.db2.gz MOFSJLXYQLUVBT-NSHDSACASA-N -1 1 347.423 2.367 20 0 EEADMM C[C@](O)(CNc1nc(-c2nn[n-]n2)c(Cl)s1)c1ccsc1 ZINC001589991392 1349097760 /nfs/dbraw/zinc/09/77/60/1349097760.db2.gz PBACRAWKVSVHPK-NSHDSACASA-N -1 1 342.837 2.358 20 0 EEADMM C[C@]1(Cc2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001590141138 1349172084 /nfs/dbraw/zinc/17/20/84/1349172084.db2.gz BGLNQJFJWNOGOR-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@]1(Cc2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001590141138 1349172091 /nfs/dbraw/zinc/17/20/91/1349172091.db2.gz BGLNQJFJWNOGOR-QGZVFWFLSA-N -1 1 339.378 2.397 20 0 EEADMM C[C@@]1(NCc2nc(-c3nnn[n-]3)cs2)CCOc2ccccc21 ZINC001590148133 1349176585 /nfs/dbraw/zinc/17/65/85/1349176585.db2.gz FBLJTGXXESFGFK-OAHLLOKOSA-N -1 1 328.401 2.111 20 0 EEADMM C[C@@]1(NCc2nc(-c3nn[n-]n3)cs2)CCOc2ccccc21 ZINC001590148133 1349176589 /nfs/dbraw/zinc/17/65/89/1349176589.db2.gz FBLJTGXXESFGFK-OAHLLOKOSA-N -1 1 328.401 2.111 20 0 EEADMM C[C@H]1C(=O)Nc2ccccc2CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001590166172 1349182946 /nfs/dbraw/zinc/18/29/46/1349182946.db2.gz VUFXTIYPCUAISY-JTQLQIEISA-N -1 1 340.412 2.271 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001590253519 1349228054 /nfs/dbraw/zinc/22/80/54/1349228054.db2.gz IHRJYTALCRUERF-ZJUUUORDSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001590253519 1349228058 /nfs/dbraw/zinc/22/80/58/1349228058.db2.gz IHRJYTALCRUERF-ZJUUUORDSA-N -1 1 341.462 2.127 20 0 EEADMM C[C@@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@H]1C(=O)OC(C)(C)C ZINC001590313115 1349260331 /nfs/dbraw/zinc/26/03/31/1349260331.db2.gz BTBLDZNFOGDIFA-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@H]1C(=O)OC(C)(C)C ZINC001590313115 1349260335 /nfs/dbraw/zinc/26/03/35/1349260335.db2.gz BTBLDZNFOGDIFA-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001590339598 1349274954 /nfs/dbraw/zinc/27/49/54/1349274954.db2.gz WHGYVOSMMUBBEB-VIFPVBQESA-N -1 1 341.400 2.474 20 0 EEADMM C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001590339598 1349274957 /nfs/dbraw/zinc/27/49/57/1349274957.db2.gz WHGYVOSMMUBBEB-VIFPVBQESA-N -1 1 341.400 2.474 20 0 EEADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)o2)c1 ZINC001590364796 1349285308 /nfs/dbraw/zinc/28/53/08/1349285308.db2.gz FYCSLFHILVHZFS-UHFFFAOYSA-N -1 1 340.343 2.369 20 0 EEADMM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccc(C)cc1 ZINC001590454476 1349332088 /nfs/dbraw/zinc/33/20/88/1349332088.db2.gz LVIXOMZFNQHZDZ-HNNXBMFYSA-N -1 1 336.399 2.380 20 0 EEADMM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccc(C)cc1 ZINC001590454476 1349332095 /nfs/dbraw/zinc/33/20/95/1349332095.db2.gz LVIXOMZFNQHZDZ-HNNXBMFYSA-N -1 1 336.399 2.380 20 0 EEADMM CC[C@H](OCCn1ccn2ncc(-c3nn[n-]n3)c12)c1ccccc1 ZINC001590479033 1349350698 /nfs/dbraw/zinc/35/06/98/1349350698.db2.gz KMFGSWZZTVUBJT-HNNXBMFYSA-N -1 1 337.387 2.484 20 0 EEADMM CCc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc(Cl)n1 ZINC001590880561 1349409283 /nfs/dbraw/zinc/40/92/83/1349409283.db2.gz VWAZRRYRHAIHMB-UHFFFAOYSA-N -1 1 348.819 2.469 20 0 EEADMM CCc1nn(C[C@@H](CC)CC(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929422 1349415531 /nfs/dbraw/zinc/41/55/31/1349415531.db2.gz PJLSKAUXNRJIMZ-VIFPVBQESA-N -1 1 340.378 2.230 20 0 EEADMM CN(CC1(O)CCCCCC1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001591050827 1349435299 /nfs/dbraw/zinc/43/52/99/1349435299.db2.gz RQFMLFRAPMVMOP-UHFFFAOYSA-N -1 1 342.856 2.498 20 0 EEADMM COC1CCC(Cc2noc(-c3ccnc(-c4nnn[n-]4)c3)n2)CC1 ZINC001591351226 1349468236 /nfs/dbraw/zinc/46/82/36/1349468236.db2.gz ICWWKKUQTZKUNB-UHFFFAOYSA-N -1 1 341.375 2.059 20 0 EEADMM COC1CCC(Cc2noc(-c3ccnc(-c4nn[n-]n4)c3)n2)CC1 ZINC001591351226 1349468238 /nfs/dbraw/zinc/46/82/38/1349468238.db2.gz ICWWKKUQTZKUNB-UHFFFAOYSA-N -1 1 341.375 2.059 20 0 EEADMM COc1cccc2c1CCC[C@@H](Nc1nccnc1-c1nnn[n-]1)C2 ZINC001591643055 1349520048 /nfs/dbraw/zinc/52/00/48/1349520048.db2.gz WALLHUQEXWEUKZ-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM COc1cccc2c1CCC[C@@H](Nc1nccnc1-c1nn[n-]n1)C2 ZINC001591643055 1349520052 /nfs/dbraw/zinc/52/00/52/1349520052.db2.gz WALLHUQEXWEUKZ-GFCCVEGCSA-N -1 1 337.387 2.025 20 0 EEADMM COc1cccc(OCCCNc2nc(-c3nn[n-]n3)ccc2C)c1 ZINC001591642164 1349520253 /nfs/dbraw/zinc/52/02/53/1349520253.db2.gz SZZUKJYUOYMGAL-UHFFFAOYSA-N -1 1 340.387 2.460 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)C(C)C ZINC001591973886 1349573841 /nfs/dbraw/zinc/57/38/41/1349573841.db2.gz FFEGIBBLYZSMTJ-UHFFFAOYSA-N -1 1 345.790 2.369 20 0 EEADMM Cc1cc(Cl)c2c(c1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)C1CC1 ZINC001591974866 1349574210 /nfs/dbraw/zinc/57/42/10/1349574210.db2.gz YYLMSPHZGKSQIY-UHFFFAOYSA-N -1 1 343.774 2.123 20 0 EEADMM Cc1cc(NC[C@@H]2COC3(CCCCC3)O2)cc(-c2nnn[n-]2)n1 ZINC001592044669 1349586928 /nfs/dbraw/zinc/58/69/28/1349586928.db2.gz INEPUDPSZULWCG-CYBMUJFWSA-N -1 1 330.392 2.058 20 0 EEADMM Cc1cc(NC[C@@H]2COC3(CCCCC3)O2)cc(-c2nn[n-]n2)n1 ZINC001592044669 1349586930 /nfs/dbraw/zinc/58/69/30/1349586930.db2.gz INEPUDPSZULWCG-CYBMUJFWSA-N -1 1 330.392 2.058 20 0 EEADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)ccc1-c1nn[nH]n1 ZINC001592065068 1349588026 /nfs/dbraw/zinc/58/80/26/1349588026.db2.gz SNLRWOJWKINGEC-UHFFFAOYSA-N -1 1 347.375 2.423 20 0 EEADMM Cc1ccc(-c2cncc(C(=O)Nc3c[nH]nc3-c3nn[n-]n3)c2)cc1 ZINC001592074228 1349588835 /nfs/dbraw/zinc/58/88/35/1349588835.db2.gz GEZCUUJJDBQPCD-UHFFFAOYSA-N -1 1 346.354 2.213 20 0 EEADMM Cc1ccncc1[C@@H](C)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001592277560 1349616601 /nfs/dbraw/zinc/61/66/01/1349616601.db2.gz QMOSZFRFRFZKFK-SECBINFHSA-N -1 1 344.325 2.339 20 0 EEADMM Cc1ccncc1[C@@H](C)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001592277560 1349616604 /nfs/dbraw/zinc/61/66/04/1349616604.db2.gz QMOSZFRFRFZKFK-SECBINFHSA-N -1 1 344.325 2.339 20 0 EEADMM Cc1[nH]nc(NCc2cnc(-c3ccco3)s2)c1-c1nn[n-]n1 ZINC001592331305 1349622467 /nfs/dbraw/zinc/62/24/67/1349622467.db2.gz ZTVFOAVBQMNXFG-UHFFFAOYSA-N -1 1 328.361 2.227 20 0 EEADMM Cc1nc(N[C@H]2CCc3cc(F)c(F)c(F)c32)cc(-c2nnn[n-]2)n1 ZINC001592382435 1349626311 /nfs/dbraw/zinc/62/63/11/1349626311.db2.gz DKUYMKOHEWPVDU-VIFPVBQESA-N -1 1 347.304 2.482 20 0 EEADMM Cc1nc(N[C@H]2CCc3cc(F)c(F)c(F)c32)cc(-c2nn[n-]n2)n1 ZINC001592382435 1349626313 /nfs/dbraw/zinc/62/63/13/1349626313.db2.gz DKUYMKOHEWPVDU-VIFPVBQESA-N -1 1 347.304 2.482 20 0 EEADMM Cc1nn(C)c2sc(C(=O)OCC(=O)c3ccc([O-])cc3O)cc12 ZINC000021697311 1349634541 /nfs/dbraw/zinc/63/45/41/1349634541.db2.gz XUIWEQCWBNSYOB-UHFFFAOYSA-N -1 1 346.364 2.394 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1-c1nc([C@@H]2CCOC(C)(C)C2)no1 ZINC001592494818 1349637235 /nfs/dbraw/zinc/63/72/35/1349637235.db2.gz FBIPMMRTBDTGIE-SECBINFHSA-N -1 1 330.348 2.491 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1-c1nc([C@@H]2CCOC(C)(C)C2)no1 ZINC001592494818 1349637236 /nfs/dbraw/zinc/63/72/36/1349637236.db2.gz FBIPMMRTBDTGIE-SECBINFHSA-N -1 1 330.348 2.491 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)OC[C@@H]1CCC2(CCC2)CO1 ZINC001592503404 1349640569 /nfs/dbraw/zinc/64/05/69/1349640569.db2.gz IICMFJBPRLMGOY-NSHDSACASA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)OC[C@@H]1CCC2(CCC2)CO1 ZINC001592503404 1349640574 /nfs/dbraw/zinc/64/05/74/1349640574.db2.gz IICMFJBPRLMGOY-NSHDSACASA-N -1 1 332.360 2.274 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(F)(F)F ZINC001592507062 1349643115 /nfs/dbraw/zinc/64/31/15/1349643115.db2.gz WMANCXURRFMIQD-UHFFFAOYSA-N -1 1 341.249 2.278 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(F)(F)F ZINC001592507062 1349643121 /nfs/dbraw/zinc/64/31/21/1349643121.db2.gz WMANCXURRFMIQD-UHFFFAOYSA-N -1 1 341.249 2.278 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C2CCC2)C2CCCC2)c1-c1nnn[n-]1 ZINC001592515785 1349644421 /nfs/dbraw/zinc/64/44/21/1349644421.db2.gz NPCOQEIYJIELQL-INIZCTEOSA-N -1 1 344.419 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@H](C2CCC2)C2CCCC2)c1-c1nn[n-]n1 ZINC001592515785 1349644422 /nfs/dbraw/zinc/64/44/22/1349644422.db2.gz NPCOQEIYJIELQL-INIZCTEOSA-N -1 1 344.419 2.181 20 0 EEADMM Clc1cc2c(cc1Sc1cnc(-c3nnn[n-]3)cn1)OCCO2 ZINC001592527357 1349647565 /nfs/dbraw/zinc/64/75/65/1349647565.db2.gz LQTGELSMCZELRJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cc2c(cc1Sc1cnc(-c3nn[n-]n3)cn1)OCCO2 ZINC001592527357 1349647569 /nfs/dbraw/zinc/64/75/69/1349647569.db2.gz LQTGELSMCZELRJ-UHFFFAOYSA-N -1 1 348.775 2.233 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3cc(-c4nnn[n-]4)ncn3)[C@H]21 ZINC001592535608 1349650359 /nfs/dbraw/zinc/65/03/59/1349650359.db2.gz ILCCHSWNMYEJBM-FZZIBODNSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1cccc2c1C[C@@H]1[C@H](Nc3cc(-c4nn[n-]n4)ncn3)[C@H]21 ZINC001592535608 1349650360 /nfs/dbraw/zinc/65/03/60/1349650360.db2.gz ILCCHSWNMYEJBM-FZZIBODNSA-N -1 1 325.763 2.060 20 0 EEADMM Clc1sc(Nc2cccc(-n3ccnn3)c2)nc1-c1nn[n-]n1 ZINC001592543831 1349654761 /nfs/dbraw/zinc/65/47/61/1349654761.db2.gz RHMIHRYXXMKZGF-UHFFFAOYSA-N -1 1 345.779 2.301 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCCCO2)nc(-c2nnn[n-]2)c1 ZINC001592618782 1349673863 /nfs/dbraw/zinc/67/38/63/1349673863.db2.gz WWZSMNOUXUPJEB-SECBINFHSA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1cc(NC[C@H]2CCCCO2)nc(-c2nn[n-]n2)c1 ZINC001592618782 1349673868 /nfs/dbraw/zinc/67/38/68/1349673868.db2.gz WWZSMNOUXUPJEB-SECBINFHSA-N -1 1 328.298 2.262 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2COC3(CCC3)C2)nc(-c2nnn[n-]2)c1 ZINC001592618781 1349674247 /nfs/dbraw/zinc/67/42/47/1349674247.db2.gz WVBHNIWYBKYLID-VIFPVBQESA-N -1 1 340.309 2.404 20 0 EEADMM FC(F)(F)c1cc(N[C@@H]2COC3(CCC3)C2)nc(-c2nn[n-]n2)c1 ZINC001592618781 1349674248 /nfs/dbraw/zinc/67/42/48/1349674248.db2.gz WVBHNIWYBKYLID-VIFPVBQESA-N -1 1 340.309 2.404 20 0 EEADMM FC1(c2ccccc2)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001592631892 1349682428 /nfs/dbraw/zinc/68/24/28/1349682428.db2.gz ZLVUWWTYXPHCNX-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM FC1(c2ccccc2)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001592631892 1349682435 /nfs/dbraw/zinc/68/24/35/1349682435.db2.gz ZLVUWWTYXPHCNX-UHFFFAOYSA-N -1 1 325.351 2.122 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCCC2(CC2)CC1 ZINC001593137406 1349739944 /nfs/dbraw/zinc/73/99/44/1349739944.db2.gz AJOKEYYRNSTATC-UHFFFAOYSA-N -1 1 332.433 2.404 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001593243867 1349748686 /nfs/dbraw/zinc/74/86/86/1349748686.db2.gz JZFOEHOPVLIWRA-NEPJUHHUSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001593243867 1349748690 /nfs/dbraw/zinc/74/86/90/1349748690.db2.gz JZFOEHOPVLIWRA-NEPJUHHUSA-N -1 1 327.392 2.306 20 0 EEADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593255022 1349751987 /nfs/dbraw/zinc/75/19/87/1349751987.db2.gz BPMRNGRBVLXZOK-BBRMVZONSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001593255022 1349751990 /nfs/dbraw/zinc/75/19/90/1349751990.db2.gz BPMRNGRBVLXZOK-BBRMVZONSA-N -1 1 339.334 2.021 20 0 EEADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001593259487 1349754261 /nfs/dbraw/zinc/75/42/61/1349754261.db2.gz ARIFHRIUFKNICK-UONOGXRCSA-N -1 1 345.366 2.485 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)c(Cl)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC001593335583 1349782378 /nfs/dbraw/zinc/78/23/78/1349782378.db2.gz PTJXGCBNJFBMLR-NXEZZACHSA-N -1 1 332.795 2.177 20 0 EEADMM O=C1N(c2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)s2)NC12CC2 ZINC001593401810 1349797305 /nfs/dbraw/zinc/79/73/05/1349797305.db2.gz QAFNJTFAGDISOY-CQSZACIVSA-N -1 1 338.396 2.096 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1Cc1cccc3ncccc13)CCC2 ZINC001593490142 1349817075 /nfs/dbraw/zinc/81/70/75/1349817075.db2.gz BWKGTSLHZOPKCU-UHFFFAOYSA-N -1 1 344.378 2.114 20 0 EEADMM OC[C@@H](CC1CCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001593519990 1349829908 /nfs/dbraw/zinc/82/99/08/1349829908.db2.gz BXHOEFLXRVTIED-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM OC[C@@H](CC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001593519990 1349829912 /nfs/dbraw/zinc/82/99/12/1349829912.db2.gz BXHOEFLXRVTIED-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM O=c1c(-c2nn[n-]n2)cncn1CCCCc1cccc(Cl)c1 ZINC001593494188 1349819382 /nfs/dbraw/zinc/81/93/82/1349819382.db2.gz JIKMRGQZMAZQAQ-UHFFFAOYSA-N -1 1 330.779 2.100 20 0 EEADMM c1cc(CNc2cc(C3CC3)nc(C3CC3)n2)cc(-c2nn[n-]n2)n1 ZINC001593553466 1349846289 /nfs/dbraw/zinc/84/62/89/1349846289.db2.gz DLCQQINDAHZKOR-UHFFFAOYSA-N -1 1 334.387 2.419 20 0 EEADMM Cc1c(C(=O)[O-])cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)n1C ZINC001599986479 1349949549 /nfs/dbraw/zinc/94/95/49/1349949549.db2.gz DGNBTJCXDLGALV-UHFFFAOYSA-N -1 1 341.411 2.295 20 0 EEADMM Cc1cc(NC(=O)c2ccc(C(=O)[O-])[nH]2)ccc1N1CCN(C)CC1 ZINC001600273957 1350008572 /nfs/dbraw/zinc/00/85/72/1350008572.db2.gz AYHXEVUVQLYWSU-UHFFFAOYSA-N -1 1 342.399 2.025 20 0 EEADMM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c2c1CCC2 ZINC001600334157 1350022718 /nfs/dbraw/zinc/02/27/18/1350022718.db2.gz XMJKLOVJOOIXDV-CQSZACIVSA-N -1 1 330.428 2.105 20 0 EEADMM Cc1ccc(CN(C)[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC001600409599 1350043300 /nfs/dbraw/zinc/04/33/00/1350043300.db2.gz GAUKXNOSJQBXOM-OAHLLOKOSA-N -1 1 332.444 2.447 20 0 EEADMM Cc1cccc([C@@H]2CCN(CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)c1 ZINC001600525545 1350073136 /nfs/dbraw/zinc/07/31/36/1350073136.db2.gz YNHITYUHUONRFU-IAGOWNOFSA-N -1 1 332.444 2.400 20 0 EEADMM Cc1cccc(C[C@H](CNC(=O)[C@@](C)(N)c2ccccc2)C(=O)[O-])c1 ZINC001600526586 1350073761 /nfs/dbraw/zinc/07/37/61/1350073761.db2.gz AQPMVJHOOBWUQY-UZLBHIALSA-N -1 1 340.423 2.229 20 0 EEADMM Cc1ncc(CN[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)o1 ZINC001600736650 1350124893 /nfs/dbraw/zinc/12/48/93/1350124893.db2.gz BMJDLRWMQLKBPT-GOSISDBHSA-N -1 1 329.400 2.192 20 0 EEADMM Cn1cc(CN2CCCN(C(=O)CC3CCCC3)CC2)cc1C(=O)[O-] ZINC001600951396 1350175681 /nfs/dbraw/zinc/17/56/81/1350175681.db2.gz JISRSVWVBUQWET-UHFFFAOYSA-N -1 1 347.459 2.338 20 0 EEADMM Cn1cc(CNC2(c3ccc4c(c3)OCCO4)CC2)cc1C(=O)[O-] ZINC001600953561 1350176375 /nfs/dbraw/zinc/17/63/75/1350176375.db2.gz YQQMGZDHORHUMC-UHFFFAOYSA-N -1 1 328.368 2.273 20 0 EEADMM NC(=O)C1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001601143320 1350219923 /nfs/dbraw/zinc/21/99/23/1350219923.db2.gz DEGQGSPNZREGDA-GFCCVEGCSA-N -1 1 331.199 2.316 20 0 EEADMM Nc1ccncc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001601217797 1350233875 /nfs/dbraw/zinc/23/38/75/1350233875.db2.gz APSLDTVIWFRLJJ-ZDUSSCGKSA-N -1 1 325.368 2.042 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)CCn3cc(Cl)cn3)[nH]c21 ZINC001601300883 1350252432 /nfs/dbraw/zinc/25/24/32/1350252432.db2.gz VLMBRPWFSVCUBT-UHFFFAOYSA-N -1 1 333.735 2.140 20 0 EEADMM O=C([O-])c1cccc(NC(=O)CN[C@@H](c2cccnc2)C2CC2)c1 ZINC001601323964 1350257075 /nfs/dbraw/zinc/25/70/75/1350257075.db2.gz OQZKTJOZUINNOT-QGZVFWFLSA-N -1 1 325.368 2.459 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)[nH]1 ZINC001601442799 1350284531 /nfs/dbraw/zinc/28/45/31/1350284531.db2.gz WQBYZKWGIQYTMS-UHFFFAOYSA-N -1 1 345.374 2.246 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1cn[nH]c1-c1ccccn1)CC1CCCC1 ZINC001601459729 1350289004 /nfs/dbraw/zinc/28/90/04/1350289004.db2.gz SJODBZNQHCAZDN-CYBMUJFWSA-N -1 1 342.399 2.483 20 0 EEADMM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3cnc4ccc[nH]c3-4)nc2C1 ZINC001601630111 1350323177 /nfs/dbraw/zinc/32/31/77/1350323177.db2.gz ABWLPTKASMFQNT-MRVPVSSYSA-N -1 1 342.380 2.461 20 0 EEADMM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC001601658776 1350330223 /nfs/dbraw/zinc/33/02/23/1350330223.db2.gz CJYUNRQEHLFFFY-INIZCTEOSA-N -1 1 339.347 2.284 20 0 EEADMM O=C([O-])[C@@H](NC[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1F ZINC001601672820 1350334889 /nfs/dbraw/zinc/33/48/89/1350334889.db2.gz WPESLHOQHIZYKA-ZBEGNZNMSA-N -1 1 349.383 2.112 20 0 EEADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001601692331 1350339782 /nfs/dbraw/zinc/33/97/82/1350339782.db2.gz ZSHPUMZVXBMRKJ-LDYMZIIASA-N -1 1 342.186 2.122 20 0 EEADMM O=C([O-])[C@@H]1[C@H](CNCc2nc(-c3ccncc3)cs2)C1(F)F ZINC001601753242 1350356602 /nfs/dbraw/zinc/35/66/02/1350356602.db2.gz RJZZVIHHSZALAZ-CABZTGNLSA-N -1 1 325.340 2.261 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2cn3ccccc3n2)[C@@H]([C@H]2CCCO2)C1 ZINC001601828478 1350375012 /nfs/dbraw/zinc/37/50/12/1350375012.db2.gz ZURKZWCXLHKFMF-FVQBIDKESA-N -1 1 329.400 2.179 20 0 EEADMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(O)c(Cl)c1 ZINC001601865629 1350384592 /nfs/dbraw/zinc/38/45/92/1350384592.db2.gz MDIGRGVQPZNLTC-AWEZNQCLSA-N -1 1 347.754 2.403 20 0 EEADMM O=C([O-])C[C@]1(NCc2cc(F)ccc2Br)CCOC1 ZINC001601936083 1350401083 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O=C([O-])CCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC001602021552 1350420092 /nfs/dbraw/zinc/42/00/92/1350420092.db2.gz MATRJIJGDZUQCO-UHFFFAOYSA-N -1 1 344.333 2.265 20 0 EEADMM O=C([O-])CCSc1ncccc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001602033562 1350422527 /nfs/dbraw/zinc/42/25/27/1350422527.db2.gz CUVYDAUYOIMICO-SNVBAGLBSA-N -1 1 346.412 2.115 20 0 EEADMM O=C([O-])CC[C@@H]1CC[C@H](C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001602038620 1350423533 /nfs/dbraw/zinc/42/35/33/1350423533.db2.gz KDCJCQVIQLWXKL-GVDBMIGSSA-N -1 1 347.411 2.217 20 0 EEADMM O=C([O-])CC[C@@H]1CC[C@H](C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)O1 ZINC001602038620 1350423535 /nfs/dbraw/zinc/42/35/35/1350423535.db2.gz KDCJCQVIQLWXKL-GVDBMIGSSA-N -1 1 347.411 2.217 20 0 EEADMM O=C([O-])c1cncc(CN[C@H](c2ccncc2)C2(CO)CCC2)c1 ZINC001602538772 1350541885 /nfs/dbraw/zinc/54/18/85/1350541885.db2.gz HYKLCGALABERPF-MRXNPFEDSA-N -1 1 327.384 2.168 20 0 EEADMM O=C([O-])[C@]12CN(C(=O)c3cc4[nH]cnc4cc3F)C[C@H]1CCCC2 ZINC001602623519 1350560044 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/nfs/dbraw/zinc/23/59/33/1351235933.db2.gz IJHLDTIBWKENGI-UHFFFAOYSA-N -1 1 325.328 2.174 20 0 EEADMM CCc1ncnc(CC)c1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001605863502 1351240522 /nfs/dbraw/zinc/24/05/22/1351240522.db2.gz HZSAYGWRKJGROO-UHFFFAOYSA-N -1 1 339.355 2.428 20 0 EEADMM Cc1ccc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(-c2nnn[n-]2)n1 ZINC001605864812 1351240808 /nfs/dbraw/zinc/24/08/08/1351240808.db2.gz NWCUWMNCQHSABB-ONGXEEELSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c(-c2nn[n-]n2)n1 ZINC001605864812 1351240811 /nfs/dbraw/zinc/24/08/11/1351240811.db2.gz NWCUWMNCQHSABB-ONGXEEELSA-N -1 1 342.325 2.116 20 0 EEADMM Cc1ccc(N2CCC[C@H](CC(=O)OC(C)C)C2)c(-c2nnn[n-]2)n1 ZINC001605865360 1351241257 /nfs/dbraw/zinc/24/12/57/1351241257.db2.gz WCEUKBGROZUTDA-CYBMUJFWSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(N2CCC[C@H](CC(=O)OC(C)C)C2)c(-c2nn[n-]n2)n1 ZINC001605865360 1351241260 /nfs/dbraw/zinc/24/12/60/1351241260.db2.gz WCEUKBGROZUTDA-CYBMUJFWSA-N -1 1 344.419 2.128 20 0 EEADMM Cc1ccc(NC(=O)N(C)C)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC001605869714 1351241797 /nfs/dbraw/zinc/24/17/97/1351241797.db2.gz LINJWPZWFJCFGK-UHFFFAOYSA-N -1 1 341.375 2.474 20 0 EEADMM Cc1ccc(NC(=O)N(C)C)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC001605869714 1351241799 /nfs/dbraw/zinc/24/17/99/1351241799.db2.gz LINJWPZWFJCFGK-UHFFFAOYSA-N -1 1 341.375 2.474 20 0 EEADMM CCn1ncc(C)c1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001605940764 1351256806 /nfs/dbraw/zinc/25/68/06/1351256806.db2.gz FVTMJQDGJHXKAJ-RMKNXTFCSA-N -1 1 335.385 2.110 20 0 EEADMM CN(CCNC(=O)c1ccccc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001606133182 1351277374 /nfs/dbraw/zinc/27/73/74/1351277374.db2.gz MLMNUPSXZGPZAG-UHFFFAOYSA-N -1 1 330.359 2.386 20 0 EEADMM Cc1nsc(N(C)Cc2cccc(N(C)C)c2)c1-c1nn[n-]n1 ZINC001606140186 1351277999 /nfs/dbraw/zinc/27/79/99/1351277999.db2.gz HARZMJVUAPXFNQ-UHFFFAOYSA-N -1 1 329.433 2.334 20 0 EEADMM Cc1coc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc12 ZINC001606180713 1351282440 /nfs/dbraw/zinc/28/24/40/1351282440.db2.gz SSGHEBRBABEROJ-UHFFFAOYSA-N -1 1 338.327 2.399 20 0 EEADMM Cc1coc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc12 ZINC001606180713 1351282443 /nfs/dbraw/zinc/28/24/43/1351282443.db2.gz SSGHEBRBABEROJ-UHFFFAOYSA-N -1 1 338.327 2.399 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2cc[nH]n2)c1-c1nnn[n-]1 ZINC001606201111 1351284789 /nfs/dbraw/zinc/28/47/89/1351284789.db2.gz TWWQEVPRVQIQSN-QMMMGPOBSA-N -1 1 336.812 2.431 20 0 EEADMM Clc1nsc(N2CCCC[C@H]2c2cc[nH]n2)c1-c1nn[n-]n1 ZINC001606201111 1351284790 /nfs/dbraw/zinc/28/47/90/1351284790.db2.gz TWWQEVPRVQIQSN-QMMMGPOBSA-N -1 1 336.812 2.431 20 0 EEADMM COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1CC[C@@H](C)OCc1ccccc1 ZINC001606386403 1351299910 /nfs/dbraw/zinc/29/99/10/1351299910.db2.gz OGYPOKFJBZAUTK-PVAVHDDUSA-N -1 1 349.427 2.320 20 0 EEADMM O=C(Cc1coc2ccccc12)OCc1ccnc(-c2nnn[n-]2)c1 ZINC001606612001 1351331500 /nfs/dbraw/zinc/33/15/00/1351331500.db2.gz VOVUFIVIAGTVBZ-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM O=C(Cc1coc2ccccc12)OCc1ccnc(-c2nn[n-]n2)c1 ZINC001606612001 1351331502 /nfs/dbraw/zinc/33/15/02/1351331502.db2.gz VOVUFIVIAGTVBZ-UHFFFAOYSA-N -1 1 335.323 2.294 20 0 EEADMM COC(=O)c1cccc([C@H](NCc2ccc(Cl)nc2)C(=O)[O-])c1 ZINC001606611225 1351331659 /nfs/dbraw/zinc/33/16/59/1351331659.db2.gz LDLXGIQBIKXUEL-AWEZNQCLSA-N -1 1 334.759 2.437 20 0 EEADMM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC001606616502 1351332713 /nfs/dbraw/zinc/33/27/13/1351332713.db2.gz MQLYEQBFTNTVSH-OAHLLOKOSA-N -1 1 332.331 2.231 20 0 EEADMM O=C(NCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001606835375 1351364767 /nfs/dbraw/zinc/36/47/67/1351364767.db2.gz ASRYMOQBQHNXHD-UHFFFAOYSA-N -1 1 349.181 2.499 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(Cl)cc2cccnc21 ZINC001606892996 1351370827 /nfs/dbraw/zinc/37/08/27/1351370827.db2.gz DPMGKIOHHOSHCC-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(Cl)cc2cccnc21 ZINC001606892996 1351370830 /nfs/dbraw/zinc/37/08/30/1351370830.db2.gz DPMGKIOHHOSHCC-UHFFFAOYSA-N -1 1 340.734 2.044 20 0 EEADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC001606902210 1351372376 /nfs/dbraw/zinc/37/23/76/1351372376.db2.gz IFPSPBISUHQCJS-UHFFFAOYSA-N -1 1 347.338 2.215 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)[C@@H]1CC12CCC2 ZINC001606915756 1351375350 /nfs/dbraw/zinc/37/53/50/1351375350.db2.gz ZRSNWSDAICMVBU-ZETCQYMHSA-N -1 1 349.192 2.153 20 0 EEADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)[C@@H]1CC12CCC2 ZINC001606915756 1351375353 /nfs/dbraw/zinc/37/53/53/1351375353.db2.gz ZRSNWSDAICMVBU-ZETCQYMHSA-N -1 1 349.192 2.153 20 0 EEADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001606929140 1351378309 /nfs/dbraw/zinc/37/83/09/1351378309.db2.gz OSSYIVVKRBBAEH-ZDUSSCGKSA-N -1 1 339.355 2.472 20 0 EEADMM O=C(OCCCc1cccc(F)c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606971665 1351388229 /nfs/dbraw/zinc/38/82/29/1351388229.db2.gz XVWOOQZSWWKLMD-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCCCc1cccc(F)c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606971665 1351388231 /nfs/dbraw/zinc/38/82/31/1351388231.db2.gz XVWOOQZSWWKLMD-UHFFFAOYSA-N -1 1 327.319 2.190 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC001606985511 1351392923 /nfs/dbraw/zinc/39/29/23/1351392923.db2.gz QGAILCFWVQLWBB-UHFFFAOYSA-N -1 1 343.318 2.230 20 0 EEADMM O=C(OCc1nc2c(o1)CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC001606985511 1351392925 /nfs/dbraw/zinc/39/29/25/1351392925.db2.gz QGAILCFWVQLWBB-UHFFFAOYSA-N -1 1 343.318 2.230 20 0 EEADMM O=c1c(-c2nn[n-]n2)cc2c(n1C[C@H]1CCCC3(CCC3)O1)CCC2 ZINC001607088760 1351413349 /nfs/dbraw/zinc/41/33/49/1351413349.db2.gz AAJPOMNXSMNDAP-CYBMUJFWSA-N -1 1 341.415 2.009 20 0 EEADMM O=c1c2cc(Cl)c(F)cc2ncn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001607089889 1351414154 /nfs/dbraw/zinc/41/41/54/1351414154.db2.gz PFARRJBMRREFKR-UHFFFAOYSA-N -1 1 346.709 2.010 20 0 EEADMM O=c1c2cc(Cl)c(F)cc2ncn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001607089889 1351414159 /nfs/dbraw/zinc/41/41/59/1351414159.db2.gz PFARRJBMRREFKR-UHFFFAOYSA-N -1 1 346.709 2.010 20 0 EEADMM O[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCCC1 ZINC001607091066 1351414270 /nfs/dbraw/zinc/41/42/70/1351414270.db2.gz DGNZFVDAGZYCDT-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM c1cc(NCCc2ccc3c(c2)OCCCO3)cc(-c2nnn[n-]2)n1 ZINC001607121678 1351427610 /nfs/dbraw/zinc/42/76/10/1351427610.db2.gz UBQMVAZNLHTFDH-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM c1cc(NCCc2ccc3c(c2)OCCCO3)cc(-c2nn[n-]n2)n1 ZINC001607121678 1351427611 /nfs/dbraw/zinc/42/76/11/1351427611.db2.gz UBQMVAZNLHTFDH-UHFFFAOYSA-N -1 1 338.371 2.078 20 0 EEADMM COc1ccc(/C(C)=C/C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC001607220026 1351452044 /nfs/dbraw/zinc/45/20/44/1351452044.db2.gz HAEYAXCSJUBLBU-ZQHYZAEZSA-N -1 1 346.427 2.106 20 0 EEADMM COc1ccc(NC(=O)[C@@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001607273253 1351462598 /nfs/dbraw/zinc/46/25/98/1351462598.db2.gz MOVDLNTYUFTXOF-DYVFJYSZSA-N -1 1 342.395 2.308 20 0 EEADMM Cc1cc(CN[C@H]2CCCN(c3ccccc3)C2=O)[nH]c1C(=O)[O-] ZINC001607648190 1351532919 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EEADMM Cc1nc2ccccc2cc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC001607974531 1351596402 /nfs/dbraw/zinc/59/64/02/1351596402.db2.gz LKDKKGBQHXCKEJ-CYBMUJFWSA-N -1 1 341.411 2.164 20 0 EEADMM Cc1nn(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)c1Br ZINC001608011080 1351603991 /nfs/dbraw/zinc/60/39/91/1351603991.db2.gz DVSDXXFLDPJMLA-NWDGAFQWSA-N -1 1 342.237 2.263 20 0 EEADMM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC001608390893 1351685073 /nfs/dbraw/zinc/68/50/73/1351685073.db2.gz ZBMLLBZRKLXWDY-NSHDSACASA-N -1 1 330.331 2.104 20 0 EEADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ncc2ccccn21 ZINC001637250957 1352675779 /nfs/dbraw/zinc/67/57/79/1352675779.db2.gz GECVSPHMNTZYSH-UHFFFAOYSA-N -1 1 348.359 2.097 20 0 EEADMM CO[C@@H](CS(=O)(=O)[N-]c1ccc([S@](C)=O)cc1)C1CCCC1 ZINC001649872682 1353632770 /nfs/dbraw/zinc/63/27/70/1353632770.db2.gz XFYDOYDNPNNQAR-BTYIYWSLSA-N -1 1 345.486 2.371 20 0 EEADMM CCCc1nnc(N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)n1CC ZINC001650298073 1353831739 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O=C(CC1CC1)NCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001375440348 1377742316 /nfs/dbraw/zinc/74/23/16/1377742316.db2.gz RNCFTDAYORGPFD-UHFFFAOYSA-N -1 1 339.395 2.134 20 0 EEADMM CN(CCC1CCN(C(=O)CC2CC2)CC1)C(=O)c1ncccc1[O-] ZINC001375912127 1378145080 /nfs/dbraw/zinc/14/50/80/1378145080.db2.gz JKMIISVJZQIVOV-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CCc1ccccc1C(=O)NC[C@H](CC)NC(=O)c1ncccc1[O-] ZINC001390643824 1388715696 /nfs/dbraw/zinc/71/56/96/1388715696.db2.gz ALIBEARMJYPCMH-AWEZNQCLSA-N -1 1 341.411 2.288 20 0 EEADMM Cc1cocc1C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001384531491 1384512395 /nfs/dbraw/zinc/51/23/95/1384512395.db2.gz GAPJLHHUTVPCBX-NEPJUHHUSA-N -1 1 331.372 2.016 20 0 EEADMM CC[C@@H](C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001384837282 1385275542 /nfs/dbraw/zinc/27/55/42/1385275542.db2.gz XXWYGQHRMGBVEC-RBSFLKMASA-N -1 1 345.443 2.286 20 0 EEADMM O=C(CCCC1CCCC1)N1CC[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001385624564 1385724739 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EEADMM CC(C)C[C@@H](CNC(=O)c1ncccc1[O-])NC(=O)CC1(C)CC1 ZINC001399475651 1395137976 /nfs/dbraw/zinc/13/79/76/1395137976.db2.gz NUTSJYMPEBTVRE-ZDUSSCGKSA-N -1 1 333.432 2.238 20 0 EEADMM C[C@H](CN(C)Cc1csc(Cl)n1)NC(=O)c1ncccc1[O-] ZINC001401749411 1397547504 /nfs/dbraw/zinc/54/75/04/1397547504.db2.gz YNXCRIPNLNAEPP-SECBINFHSA-N -1 1 340.836 2.147 20 0 EEADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)Cc1cc(F)ccc1F ZINC001403112223 1398385833 /nfs/dbraw/zinc/38/58/33/1398385833.db2.gz GEJJVZMMDLXTNN-NSHDSACASA-N -1 1 335.354 2.316 20 0 EEADMM CCC[C@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1ncccc1[O-] ZINC001423992443 1400856001 /nfs/dbraw/zinc/85/60/01/1400856001.db2.gz KOEQHURYQUDQLH-ZDUSSCGKSA-N -1 1 335.448 2.438 20 0 EEADMM CC(C)CC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC001424312525 1401051148 /nfs/dbraw/zinc/05/11/48/1401051148.db2.gz MTEUOFAASYVMCS-ZDUSSCGKSA-N -1 1 335.448 2.436 20 0 EEADMM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1C ZINC001426192195 1401945231 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CC[C@@H]1CN(c2ccccc2)CCN1c1cccc(-c2nn[n-]n2)n1 ZINC001590522156 1403883537 /nfs/dbraw/zinc/88/35/37/1403883537.db2.gz PNMHFLNIXXKIFX-CQSZACIVSA-N -1 1 335.415 2.367 20 0 EEADMM CCNC(=S)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001590745082 1403890403 /nfs/dbraw/zinc/89/04/03/1403890403.db2.gz BLIZDCKSAGIOND-UHFFFAOYSA-N -1 1 341.400 2.360 20 0 EEADMM CCNC(=S)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001590745082 1403890411 /nfs/dbraw/zinc/89/04/11/1403890411.db2.gz BLIZDCKSAGIOND-UHFFFAOYSA-N -1 1 341.400 2.360 20 0 EEADMM CCOC(=O)CCCCCCCNC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001590761842 1403898124 /nfs/dbraw/zinc/89/81/24/1403898124.db2.gz GYSQCIHVQCFKIA-UHFFFAOYSA-N -1 1 349.391 2.093 20 0 EEADMM CCOC(=O)CCCCCCCNC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001590761842 1403898133 /nfs/dbraw/zinc/89/81/33/1403898133.db2.gz GYSQCIHVQCFKIA-UHFFFAOYSA-N -1 1 349.391 2.093 20 0 EEADMM COC(=O)c1ccc(Nc2ccc(C)c(F)c2)c(-c2nnn[n-]2)n1 ZINC001591296885 1403904201 /nfs/dbraw/zinc/90/42/01/1403904201.db2.gz 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1404701211 /nfs/dbraw/zinc/70/12/11/1404701211.db2.gz ALUNAGHSEKTLED-UHFFFAOYSA-N -1 1 343.397 2.494 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1coc(-c2nnn[n-]2)c1 ZINC001593003437 1404732537 /nfs/dbraw/zinc/73/25/37/1404732537.db2.gz FGXODTZLQAFZNW-TZMCWYRMSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1coc(-c2nn[n-]n2)c1 ZINC001593003437 1404732542 /nfs/dbraw/zinc/73/25/42/1404732542.db2.gz FGXODTZLQAFZNW-TZMCWYRMSA-N -1 1 327.319 2.215 20 0 EEADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1coc(-c2nnn[n-]2)c1 ZINC001593099358 1404741702 /nfs/dbraw/zinc/74/17/02/1404741702.db2.gz OCMNXOBQVVUXKR-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM O=C(NCCc1c[nH]c2cc(F)ccc12)c1coc(-c2nn[n-]n2)c1 ZINC001593099358 1404741708 /nfs/dbraw/zinc/74/17/08/1404741708.db2.gz OCMNXOBQVVUXKR-UHFFFAOYSA-N -1 1 340.318 2.053 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@@H](C)C1CC1 ZINC001606170583 1404772792 /nfs/dbraw/zinc/77/27/92/1404772792.db2.gz IPCAIBLCEAFPGG-JTQLQIEISA-N -1 1 340.387 2.429 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@@H](C)C1CC1 ZINC001606170583 1404772798 /nfs/dbraw/zinc/77/27/98/1404772798.db2.gz IPCAIBLCEAFPGG-JTQLQIEISA-N -1 1 340.387 2.429 20 0 EEADMM Clc1ccc2c(c1)CCN(Cc1cccc(-c3nn[n-]n3)n1)C2 ZINC001606193060 1404776273 /nfs/dbraw/zinc/77/62/73/1404776273.db2.gz OWLYCQSGTGHREB-UHFFFAOYSA-N -1 1 326.791 2.473 20 0 EEADMM COC(=O)[C@@H](CCC(=O)[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC001606332742 1404794900 /nfs/dbraw/zinc/79/49/00/1404794900.db2.gz RGSAPOQUJFBNAK-QGZVFWFLSA-N -1 1 349.427 2.443 20 0 EEADMM O=S(=O)([N-]C[C@@H]1CCCO1)c1c(F)cccc1Br ZINC000128657787 1404944788 /nfs/dbraw/zinc/94/47/88/1404944788.db2.gz ZGHRBSLRDLFIJQ-QMMMGPOBSA-N -1 1 338.198 2.046 20 0 EEADMM CC/C=C(\C)C(=O)N1CCC[C@H](NC(=O)c2ncccc2[O-])[C@H]1C ZINC001756622248 1409152486 /nfs/dbraw/zinc/15/24/86/1409152486.db2.gz DDMLSVFUUYIDHM-NMEJBFKPSA-N -1 1 331.416 2.253 20 0 EEADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2[C@H](C)O)cc1 ZINC000319702967 1409852665 /nfs/dbraw/zinc/85/26/65/1409852665.db2.gz MWCYAPZBRMQZTC-NSHDSACASA-N -1 1 334.397 2.499 20 0 EEADMM CCc1n[nH]c([N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1C ZINC001771677892 1409910933 /nfs/dbraw/zinc/91/09/33/1409910933.db2.gz BTDBZIDWWFRTAZ-UHFFFAOYSA-N -1 1 331.344 2.368 20 0 EEADMM CCC1(C(=O)N2C[C@@H](C)[C@H](CCNCc3n[nH]c(=O)[n-]3)C2)CCCC1 ZINC001104858292 765443505 /nfs/dbraw/zinc/44/35/05/765443505.db2.gz DCVALTUDVVUSEB-ZIAGYGMSSA-N -1 1 349.479 2.055 20 0 EEADMM COC(=O)C[C@H]1CCC[C@@H](Oc2[n-]c(=O)ncc2Br)C1 ZINC001227138313 782675312 /nfs/dbraw/zinc/67/53/12/782675312.db2.gz QAFVRDOXCSFWIS-DTWKUNHWSA-N -1 1 345.193 2.445 20 0 EEADMM O=C(N[C@@H](CNc1ncccn1)C1CCCCC1)c1ncccc1[O-] ZINC001105019238 768884133 /nfs/dbraw/zinc/88/41/33/768884133.db2.gz KZSOJAKTKLCWAS-AWEZNQCLSA-N -1 1 341.415 2.368 20 0 EEADMM C[C@@H](c1cc(F)ccc1F)N1CC(CNC(=O)c2ncccc2[O-])C1 ZINC001031628484 770444579 /nfs/dbraw/zinc/44/45/79/770444579.db2.gz NRKNMUFGYCQGMT-NSHDSACASA-N -1 1 347.365 2.488 20 0 EEADMM O=C(NC[C@H]1C[C@H](NC(=O)C2CCCCCC2)C1)c1ncccc1[O-] ZINC000979663928 770805907 /nfs/dbraw/zinc/80/59/07/770805907.db2.gz JGNWHUCOOYSPMP-CTYIDZIISA-N -1 1 345.443 2.382 20 0 EEADMM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979673382 770827102 /nfs/dbraw/zinc/82/71/02/770827102.db2.gz NBDVSSMZFIETLT-KBUPBQIOSA-N -1 1 345.443 2.094 20 0 EEADMM Cc1cc(CN2CCC[C@H]2CNC(=O)c2[nH]nc(C)c2[O-])cs1 ZINC001027833114 770990257 /nfs/dbraw/zinc/99/02/57/770990257.db2.gz NJFRLZZQDXKTSR-ZDUSSCGKSA-N -1 1 334.445 2.188 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC000942758611 783147378 /nfs/dbraw/zinc/14/73/78/783147378.db2.gz PJTJUXRVAMVSJT-CYBMUJFWSA-N -1 1 333.432 2.286 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000938569828 774138959 /nfs/dbraw/zinc/13/89/59/774138959.db2.gz RBVXSQWHWYKUKL-LIRRHRJNSA-N -1 1 343.427 2.207 20 0 EEADMM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)s1 ZINC000940134610 778143851 /nfs/dbraw/zinc/14/38/51/778143851.db2.gz PGFVHTLREBESOF-GFCCVEGCSA-N -1 1 345.424 2.110 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000893694998 778943403 /nfs/dbraw/zinc/94/34/03/778943403.db2.gz LJABIMVGCGGPPK-KCQAQPDRSA-N -1 1 328.416 2.289 20 0 EEADMM CCC(C)(CC)C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940832971 779379008 /nfs/dbraw/zinc/37/90/08/779379008.db2.gz SKFWVGSNDQBCCD-UHFFFAOYSA-N -1 1 333.432 2.288 20 0 EEADMM CC(C)c1occc1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000941146337 780025445 /nfs/dbraw/zinc/02/54/45/780025445.db2.gz HDPCRQMHEZLKPQ-GFCCVEGCSA-N -1 1 343.383 2.148 20 0 EEADMM CN(CC(=O)NCCc1n[n-]c(=S)n1C1CC1)c1ccccc1 ZINC000067079705 780551781 /nfs/dbraw/zinc/55/17/81/780551781.db2.gz LRQHJQUXDWVYRA-UHFFFAOYSA-N -1 1 331.445 2.071 20 0 EEADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000817070637 784479238 /nfs/dbraw/zinc/47/92/38/784479238.db2.gz NUCOBEDTXVABJX-SNVBAGLBSA-N -1 1 342.189 2.321 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000945676989 784608626 /nfs/dbraw/zinc/60/86/26/784608626.db2.gz PKINEZNXIRPNHL-OLZOCXBDSA-N -1 1 333.432 2.190 20 0 EEADMM COC(=O)CCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817294502 784662288 /nfs/dbraw/zinc/66/22/88/784662288.db2.gz RUBAYNVILXTMDC-LBPRGKRZSA-N -1 1 344.333 2.049 20 0 EEADMM Cc1nc2ccc(C(=O)N3CCSC[C@@H]3c3nn[n-]n3)cc2s1 ZINC000907480094 784687219 /nfs/dbraw/zinc/68/72/19/784687219.db2.gz PLZVVZLEHDFPNR-LLVKDONJSA-N -1 1 346.441 2.048 20 0 EEADMM CC[C@H](OC)C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817492832 784795485 /nfs/dbraw/zinc/79/54/85/784795485.db2.gz NMYSQHVZQXHCJE-AAEUAGOBSA-N -1 1 344.333 2.048 20 0 EEADMM Cc1cc(C[C@H](C)NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n[nH]1 ZINC000907824808 784891698 /nfs/dbraw/zinc/89/16/98/784891698.db2.gz WWALOBMWYRQGRV-POHZPAGDSA-N -1 1 327.384 2.024 20 0 EEADMM CCCn1c2ccccc2nc1NC(=O)CN1CCC[C@H](C(=O)[O-])C1 ZINC000908698464 785637470 /nfs/dbraw/zinc/63/74/70/785637470.db2.gz MDXVYSUFSOXXQP-ZDUSSCGKSA-N -1 1 344.415 2.181 20 0 EEADMM CC(C)(C)C(=O)NCC(=O)Nc1cccc([O-])c1Br ZINC000908713812 785665921 /nfs/dbraw/zinc/66/59/21/785665921.db2.gz CBMYSCCRLFWEOE-UHFFFAOYSA-N -1 1 329.194 2.256 20 0 EEADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2csc3ccccc23)C1 ZINC000908742946 785681914 /nfs/dbraw/zinc/68/19/14/785681914.db2.gz SIEZLFKFPUGSSF-CYBMUJFWSA-N -1 1 346.452 2.357 20 0 EEADMM C[C@@]1(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CC1(Cl)Cl ZINC000819966671 785722398 /nfs/dbraw/zinc/72/23/98/785722398.db2.gz BPZIVOHVRQLVSN-QPUJVOFHSA-N -1 1 334.203 2.455 20 0 EEADMM CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1cc(F)ccc1F ZINC000908823292 785759282 /nfs/dbraw/zinc/75/92/82/785759282.db2.gz NBLXGNLHCYXZBD-ABAIWWIYSA-N -1 1 340.370 2.329 20 0 EEADMM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCc2nc[nH]c2C1)C(=O)[O-] ZINC000908843101 785774373 /nfs/dbraw/zinc/77/43/73/785774373.db2.gz VPFFAWHJNGLUSJ-UKRRQHHQSA-N -1 1 341.411 2.264 20 0 EEADMM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC000908908388 785851366 /nfs/dbraw/zinc/85/13/66/785851366.db2.gz LZSQHNIRZDPFMC-JTQLQIEISA-N -1 1 332.322 2.069 20 0 EEADMM Cc1ccc([C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)C(=O)[O-])cc1C ZINC000909697611 786177561 /nfs/dbraw/zinc/17/75/61/786177561.db2.gz XLMSOJWXMIHNDD-CZUORRHYSA-N -1 1 327.384 2.074 20 0 EEADMM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000909715205 786190802 /nfs/dbraw/zinc/19/08/02/786190802.db2.gz QIERUCHDUKQSJI-SFHVURJKSA-N -1 1 349.431 2.411 20 0 EEADMM CCCOc1ccc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000909729154 786203970 /nfs/dbraw/zinc/20/39/70/786203970.db2.gz GPHBEYZFRKPYQE-INIZCTEOSA-N -1 1 348.443 2.197 20 0 EEADMM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000909785189 786245551 /nfs/dbraw/zinc/24/55/51/786245551.db2.gz PPQKSDGCDMGPBT-IAQYHMDHSA-N -1 1 343.383 2.202 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)n[nH]2)c1 ZINC000909805519 786263989 /nfs/dbraw/zinc/26/39/89/786263989.db2.gz LILUUAXRCDVHGM-GXFFZTMASA-N -1 1 329.356 2.021 20 0 EEADMM CC[C@](CNC(=O)c1[nH]nc2c1CCC2)(C(=O)[O-])c1ccccc1 ZINC000909847030 786301043 /nfs/dbraw/zinc/30/10/43/786301043.db2.gz WRDZZYBNZKHWPF-GOSISDBHSA-N -1 1 327.384 2.061 20 0 EEADMM CN(CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000910098472 786446906 /nfs/dbraw/zinc/44/69/06/786446906.db2.gz NIRVCXFQTHWUNS-JYJNAYRXSA-N -1 1 348.468 2.241 20 0 EEADMM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cc(C(F)F)[nH]n2)n1 ZINC000910111125 786458963 /nfs/dbraw/zinc/45/89/63/786458963.db2.gz YGSLVJQGCDPKSR-SECBINFHSA-N -1 1 342.327 2.479 20 0 EEADMM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000910117658 786475910 /nfs/dbraw/zinc/47/59/10/786475910.db2.gz LTZIZOQVNVRYKY-KRWDZBQOSA-N -1 1 328.372 2.331 20 0 EEADMM Cc1ccc(CS(=O)(=O)[N-]c2c3ncnn3ccc2C)c(F)c1 ZINC000820799772 786477547 /nfs/dbraw/zinc/47/75/47/786477547.db2.gz GNEMUZZHEXVZDU-UHFFFAOYSA-N -1 1 334.376 2.427 20 0 EEADMM C[C@H]1CCCN(C(=O)CCC2CCCC2)[C@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001036491935 786512416 /nfs/dbraw/zinc/51/24/16/786512416.db2.gz PGSKYLKKEJATKR-ZFWWWQNUSA-N -1 1 349.479 2.197 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821481702 786780886 /nfs/dbraw/zinc/78/08/86/786780886.db2.gz MGOCVEPCNUGENM-JTQLQIEISA-N -1 1 340.391 2.045 20 0 EEADMM CCc1ccc([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821481702 786780893 /nfs/dbraw/zinc/78/08/93/786780893.db2.gz MGOCVEPCNUGENM-JTQLQIEISA-N -1 1 340.391 2.045 20 0 EEADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)[C@@H]2CCOC2)c1 ZINC000821781678 786884666 /nfs/dbraw/zinc/88/46/66/786884666.db2.gz LZBDQMWUDZDRLU-LLVKDONJSA-N -1 1 330.306 2.149 20 0 EEADMM CCN(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000910981770 787161399 /nfs/dbraw/zinc/16/13/99/787161399.db2.gz RFBNVOIOGSEIJF-INIZCTEOSA-N -1 1 327.384 2.089 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000910981711 787161456 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CC[C@H](C)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)OC(C)(C)C ZINC000339445814 465279650 /nfs/dbraw/zinc/27/96/50/465279650.db2.gz QTBHZASIBBHRKO-MELADBBJSA-N -1 1 349.493 2.231 20 0 EEADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2COC)c1 ZINC000351842584 465394038 /nfs/dbraw/zinc/39/40/38/465394038.db2.gz WYHUIUMBQOLZGL-UHFFFAOYSA-N -1 1 349.412 2.385 20 0 EEADMM CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3C)C2=O)C1 ZINC000063639173 462659190 /nfs/dbraw/zinc/65/91/90/462659190.db2.gz KEZRTTQVOLEXFO-XJKSGUPXSA-N -1 1 344.411 2.447 20 0 EEADMM CCc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000046739196 462699897 /nfs/dbraw/zinc/69/98/97/462699897.db2.gz KOXHEUZEYCLWQV-LLVKDONJSA-N -1 1 336.413 2.241 20 0 EEADMM CCOC(=O)c1ccc2c(c1)nc(CN(C)CCC(=O)[O-])n2CC ZINC000579114470 468313118 /nfs/dbraw/zinc/31/31/18/468313118.db2.gz CXADEXBYHFBAHH-UHFFFAOYSA-N -1 1 333.388 2.139 20 0 EEADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000007230226 462726764 /nfs/dbraw/zinc/72/67/64/462726764.db2.gz COJDEUBPQFTQIV-UHFFFAOYSA-N -1 1 329.385 2.284 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000047330534 462770399 /nfs/dbraw/zinc/77/03/99/462770399.db2.gz FOOFZFGLBXXZTH-BETUJISGSA-N -1 1 340.427 2.187 20 0 EEADMM C[C@H](CNC(=O)c1cc(Br)ccc1[O-])Cn1cccn1 ZINC000047420415 462779468 /nfs/dbraw/zinc/77/94/68/462779468.db2.gz YHDVHKSJTYXCEB-SNVBAGLBSA-N -1 1 338.205 2.417 20 0 EEADMM Cc1noc2nc(C3CC3)cc(C(=O)NCc3n[n-]c(=S)n3C)c12 ZINC000065609365 462809568 /nfs/dbraw/zinc/80/95/68/462809568.db2.gz BHWYQPBRFNJIPH-UHFFFAOYSA-N -1 1 344.400 2.130 20 0 EEADMM COC(=O)c1cccc2nc(NC(=O)Cc3ccccc3O)[nH]c21 ZINC000154867337 462817319 /nfs/dbraw/zinc/81/73/19/462817319.db2.gz VBPGPHFHBKIFRB-UHFFFAOYSA-N -1 1 325.324 2.236 20 0 EEADMM CC(C)n1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)n1 ZINC000091161197 462843547 /nfs/dbraw/zinc/84/35/47/462843547.db2.gz NCRJTYDHIJJUHN-UHFFFAOYSA-N -1 1 340.380 2.227 20 0 EEADMM CC(C)c1cccc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000155461880 462895026 /nfs/dbraw/zinc/89/50/26/462895026.db2.gz ODNAXUTXJQIUQW-CQSZACIVSA-N -1 1 329.404 2.108 20 0 EEADMM Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000155491417 462899158 /nfs/dbraw/zinc/89/91/58/462899158.db2.gz TYWAUTWEAWYWBQ-ZDUSSCGKSA-N -1 1 338.371 2.183 20 0 EEADMM CCOc1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C ZINC000066588205 462907759 /nfs/dbraw/zinc/90/77/59/462907759.db2.gz AJXBGDSNCANENV-UHFFFAOYSA-N -1 1 334.397 2.293 20 0 EEADMM CC(C)Oc1cccc(CC(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000067051034 462960722 /nfs/dbraw/zinc/96/07/22/462960722.db2.gz XUNICLOZTSOUDF-UHFFFAOYSA-N -1 1 334.445 2.166 20 0 EEADMM Cn1cc([C@@H]2C[C@H](NC(=O)c3cc(Cl)ccc3[O-])CCO2)cn1 ZINC000552447014 468329765 /nfs/dbraw/zinc/32/97/65/468329765.db2.gz CRXOEYGWDXDJHV-DOMZBBRYSA-N -1 1 335.791 2.429 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CC(C)C)C2)co1 ZINC000156546215 463038353 /nfs/dbraw/zinc/03/83/53/463038353.db2.gz 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463347590 /nfs/dbraw/zinc/34/75/90/463347590.db2.gz AUPGNCSMEQKFFX-HIFRSBDPSA-N -1 1 329.404 2.108 20 0 EEADMM CC(C)N(C(=O)CS(=O)(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000150784874 463427736 /nfs/dbraw/zinc/42/77/36/463427736.db2.gz XMVLXRHSMPDOPB-UHFFFAOYSA-N -1 1 325.430 2.346 20 0 EEADMM CCO[C@@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C12CCC2 ZINC000081835569 463498681 /nfs/dbraw/zinc/49/86/81/463498681.db2.gz XATOJEVRVFKLHV-CHWSQXEVSA-N -1 1 347.459 2.453 20 0 EEADMM CCO[C@H]1C[C@@H](NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)C12CCC2 ZINC000081835571 463498848 /nfs/dbraw/zinc/49/88/48/463498848.db2.gz XATOJEVRVFKLHV-OLZOCXBDSA-N -1 1 347.459 2.453 20 0 EEADMM CC[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000058124168 463541591 /nfs/dbraw/zinc/54/15/91/463541591.db2.gz KFMAPJVHHXDLMO-CQSZACIVSA-N -1 1 340.427 2.331 20 0 EEADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC1(C)CCCC1 ZINC000058289909 463569083 /nfs/dbraw/zinc/56/90/83/463569083.db2.gz MQCGGTVDGZHDGQ-UHFFFAOYSA-N -1 1 326.400 2.132 20 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/nfs/dbraw/zinc/37/02/81/468370281.db2.gz VOZDBHFDKBAOIZ-YPMHNXCESA-N -1 1 339.392 2.319 20 0 EEADMM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000185047902 463741858 /nfs/dbraw/zinc/74/18/58/463741858.db2.gz LGCSCHYUONBCJM-UHFFFAOYSA-N -1 1 325.352 2.445 20 0 EEADMM CCC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC000185058331 463744518 /nfs/dbraw/zinc/74/45/18/463744518.db2.gz UZROSLIUIHRJTK-GXSJLCMTSA-N -1 1 330.331 2.458 20 0 EEADMM CC(C)COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccco1 ZINC000171101169 463786174 /nfs/dbraw/zinc/78/61/74/463786174.db2.gz FDVWWTMIQZIWPJ-GJZGRUSLSA-N -1 1 345.461 2.482 20 0 EEADMM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287213465 463836160 /nfs/dbraw/zinc/83/61/60/463836160.db2.gz PKWGAAHLVUDDNN-XYNMUELMSA-N -1 1 345.428 2.037 20 0 EEADMM CSc1nc(C)c(CCC(=O)O[C@@H](C)c2noc(C)n2)c(=O)[n-]1 ZINC000277115976 463879387 /nfs/dbraw/zinc/87/93/87/463879387.db2.gz QIWNDDQHSPRTPC-QMMMGPOBSA-N -1 1 338.389 2.141 20 0 EEADMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000194569204 463886395 /nfs/dbraw/zinc/88/63/95/463886395.db2.gz AHJVOWJYYVNERJ-UHFFFAOYSA-N -1 1 340.788 2.464 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCC2=CCCCCC2)co1 ZINC000185992407 463919421 /nfs/dbraw/zinc/91/94/21/463919421.db2.gz OVCNLWUBKGGPLG-UHFFFAOYSA-N -1 1 326.418 2.198 20 0 EEADMM O=C(NCC1(CCO)CCCCC1)c1ccc2n[n-]c(=S)n2c1 ZINC000283546813 463921677 /nfs/dbraw/zinc/92/16/77/463921677.db2.gz USWZKOFSVMYBCN-UHFFFAOYSA-N -1 1 334.445 2.081 20 0 EEADMM CCc1nc(NC(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)sc1C ZINC000262076510 463940910 /nfs/dbraw/zinc/94/09/10/463940910.db2.gz DQLWJEIQNOFODY-MEDUHNTESA-N -1 1 337.445 2.139 20 0 EEADMM COCC[C@H](NC(=O)/N=c1/ccnc2n(C)[n-]cc1-2)c1ccc(C)o1 ZINC000287680494 463966012 /nfs/dbraw/zinc/96/60/12/463966012.db2.gz QTMPHIMVUONGTP-DABDWFRDSA-N -1 1 343.387 2.143 20 0 EEADMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1(C)C ZINC000342990399 465437806 /nfs/dbraw/zinc/43/78/06/465437806.db2.gz 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YPVHGIAFLAZDQS-UHFFFAOYSA-N -1 1 349.328 2.283 20 0 EEADMM O=c1cc(CN2CCn3c(nnc3C(F)F)C2)c2ccc([O-])cc2o1 ZINC000761106690 577676715 /nfs/dbraw/zinc/67/67/15/577676715.db2.gz ZXZSYUWXUREUEH-UHFFFAOYSA-N -1 1 348.309 2.044 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCCO)cc1 ZINC000763066335 577714042 /nfs/dbraw/zinc/71/40/42/577714042.db2.gz YJDSMSIDPYVACI-UHFFFAOYSA-N -1 1 331.372 2.237 20 0 EEADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc(Cl)cc1C ZINC000750952076 577745860 /nfs/dbraw/zinc/74/58/60/577745860.db2.gz GZIQGIKCDRGSIK-UHFFFAOYSA-N -1 1 344.776 2.234 20 0 EEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)/C=C2/CC[C@H](C)C2)cc1 ZINC000754197742 577802174 /nfs/dbraw/zinc/80/21/74/577802174.db2.gz YPILKQDEUZIAQC-IXJPEXDMSA-N -1 1 331.368 2.241 20 0 EEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1 ZINC000744693464 577901553 /nfs/dbraw/zinc/90/15/53/577901553.db2.gz YOUYSURDIVUJQP-INIZCTEOSA-N -1 1 347.411 2.185 20 0 EEADMM O=C(COC(=O)[C@@H]1C[C@]12CCc1ccccc12)[N-]C(=O)c1ccccc1 ZINC000745722290 577917584 /nfs/dbraw/zinc/91/75/84/577917584.db2.gz VZXFTAFCNYLBFJ-UWJYYQICSA-N -1 1 349.386 2.390 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(NC(N)=O)c1 ZINC000747202945 577940816 /nfs/dbraw/zinc/94/08/16/577940816.db2.gz HPRHYLWJQPISET-UHFFFAOYSA-N -1 1 329.360 2.357 20 0 EEADMM CCn1nc(C)c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1C ZINC000747381253 577943219 /nfs/dbraw/zinc/94/32/19/577943219.db2.gz IVRGJLXDWBKJAW-UHFFFAOYSA-N -1 1 331.420 2.377 20 0 EEADMM CCOC(=O)N[C@@H](CNC(=O)c1cc(F)ccc1[O-])CC(C)C ZINC000748025427 577953760 /nfs/dbraw/zinc/95/37/60/577953760.db2.gz SJLUSNVNVDZXFO-GFCCVEGCSA-N -1 1 326.368 2.422 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CN1C(=O)OC[C@@H]1Cc1ccccc1)CC2 ZINC000739533010 578057030 /nfs/dbraw/zinc/05/70/30/578057030.db2.gz SLWKWKUTCKPELM-HOTGVXAUSA-N -1 1 344.411 2.194 20 0 EEADMM CC(C)COCCCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000735838816 578170684 /nfs/dbraw/zinc/17/06/84/578170684.db2.gz WCYCLTGCSGXYEL-UHFFFAOYSA-N -1 1 326.404 2.311 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735912832 578173448 /nfs/dbraw/zinc/17/34/48/578173448.db2.gz IIWIFRDEDNXSBY-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM CC(C)Oc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735912832 578173449 /nfs/dbraw/zinc/17/34/49/578173449.db2.gz IIWIFRDEDNXSBY-UHFFFAOYSA-N -1 1 325.328 2.268 20 0 EEADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736204519 578187156 /nfs/dbraw/zinc/18/71/56/578187156.db2.gz QVULWXWSHUWOGU-SNVBAGLBSA-N -1 1 326.335 2.234 20 0 EEADMM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736204519 578187157 /nfs/dbraw/zinc/18/71/57/578187157.db2.gz QVULWXWSHUWOGU-SNVBAGLBSA-N -1 1 326.335 2.234 20 0 EEADMM CCCC[C@@H](Sc1nc(C)nc(C)c1-c1nn[n-]n1)C(=O)OC ZINC000736436045 578203659 /nfs/dbraw/zinc/20/36/59/578203659.db2.gz ABFPQPMGSDJCCB-SNVBAGLBSA-N -1 1 336.421 2.097 20 0 EEADMM CN(Cc1nccn1C(F)F)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736832008 578226198 /nfs/dbraw/zinc/22/61/98/578226198.db2.gz WNKQTSRINFGYGP-UHFFFAOYSA-N -1 1 340.725 2.143 20 0 EEADMM CN(Cc1nccn1C(F)F)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736832008 578226199 /nfs/dbraw/zinc/22/61/99/578226199.db2.gz WNKQTSRINFGYGP-UHFFFAOYSA-N -1 1 340.725 2.143 20 0 EEADMM CCC[C@@](C)(NCC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC000736965503 578231600 /nfs/dbraw/zinc/23/16/00/578231600.db2.gz VDXASOKSMJBLJK-OAHLLOKOSA-N -1 1 330.331 2.460 20 0 EEADMM CCC[C@](C)(NCC(=O)N1CCc2[nH]c3ccccc3c2C1)C(=O)[O-] ZINC000736965512 578231643 /nfs/dbraw/zinc/23/16/43/578231643.db2.gz VKAXEANUJYPDAS-IBGZPJMESA-N -1 1 343.427 2.286 20 0 EEADMM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000736979925 578232252 /nfs/dbraw/zinc/23/22/52/578232252.db2.gz RCAFSXSMOLYEEV-CQSZACIVSA-N -1 1 340.370 2.366 20 0 EEADMM Cc1ccccc1C1(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737422795 578256782 /nfs/dbraw/zinc/25/67/82/578256782.db2.gz RUHWWQUGDBODBN-UHFFFAOYSA-N -1 1 334.383 2.032 20 0 EEADMM Cc1ccccc1C1(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737422795 578256783 /nfs/dbraw/zinc/25/67/83/578256783.db2.gz RUHWWQUGDBODBN-UHFFFAOYSA-N -1 1 334.383 2.032 20 0 EEADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820281791 599064577 /nfs/dbraw/zinc/06/45/77/599064577.db2.gz XWOVGUBMJRZFNU-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820281791 599064574 /nfs/dbraw/zinc/06/45/74/599064574.db2.gz XWOVGUBMJRZFNU-SECBINFHSA-N -1 1 331.767 2.190 20 0 EEADMM Cc1cc(N2CCOCC2)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822207418 607308422 /nfs/dbraw/zinc/30/84/22/607308422.db2.gz VTCJJOXLWXBRRV-UHFFFAOYSA-N -1 1 340.387 2.217 20 0 EEADMM Cc1cc(N2CCOCC2)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822207418 607308423 /nfs/dbraw/zinc/30/84/23/607308423.db2.gz VTCJJOXLWXBRRV-UHFFFAOYSA-N -1 1 340.387 2.217 20 0 EEADMM COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820870847 598155015 /nfs/dbraw/zinc/15/50/15/598155015.db2.gz CTRMDKFYUQEWEK-UHFFFAOYSA-N -1 1 338.323 2.431 20 0 EEADMM O=C([O-])c1cccc(CNCc2ccc3c(c2)CCS3(=O)=O)c1 ZINC000821552642 598204456 /nfs/dbraw/zinc/20/44/56/598204456.db2.gz OGYRNWBPOSXJKZ-UHFFFAOYSA-N -1 1 331.393 2.004 20 0 EEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC000820233834 607382065 /nfs/dbraw/zinc/38/20/65/607382065.db2.gz LHPZSKWBZOHKBX-YGRLFVJLSA-N -1 1 328.351 2.325 20 0 EEADMM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000820233834 607382067 /nfs/dbraw/zinc/38/20/67/607382067.db2.gz LHPZSKWBZOHKBX-YGRLFVJLSA-N -1 1 328.351 2.325 20 0 EEADMM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(-c3ccccc3)[nH]n1)CC2 ZINC000262428172 600278062 /nfs/dbraw/zinc/27/80/62/600278062.db2.gz MCJCFHRESODKIM-CYBMUJFWSA-N -1 1 325.368 2.404 20 0 EEADMM O=C([O-])c1ccc(OCCN2CCC3(CC2)OCCO3)c(Cl)c1 ZINC000833321011 600818459 /nfs/dbraw/zinc/81/84/59/600818459.db2.gz FDQPNRVBBKOERL-UHFFFAOYSA-N -1 1 341.791 2.256 20 0 EEADMM COc1cc2c(cc1CNc1cccc(-c3nnn[n-]3)n1)O[C@@H](C)C2 ZINC000821728073 607470262 /nfs/dbraw/zinc/47/02/62/607470262.db2.gz RMCLXDISWSYCHD-JTQLQIEISA-N -1 1 338.371 2.206 20 0 EEADMM COc1cc2c(cc1CNc1cccc(-c3nn[n-]n3)n1)O[C@@H](C)C2 ZINC000821728073 607470264 /nfs/dbraw/zinc/47/02/64/607470264.db2.gz RMCLXDISWSYCHD-JTQLQIEISA-N -1 1 338.371 2.206 20 0 EEADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@](C)(C(=O)[O-])C1CC1 ZINC000827935481 601038961 /nfs/dbraw/zinc/03/89/61/601038961.db2.gz RWCFLDQPLBVIRK-DYZYQPBXSA-N -1 1 340.370 2.327 20 0 EEADMM COc1ccc([C@H](NC(=O)CN[C@@](C)(C(=O)[O-])C2CC2)C(C)C)cc1 ZINC000832246200 601039108 /nfs/dbraw/zinc/03/91/08/601039108.db2.gz QXZQNSOVGOGNFG-IEBWSBKVSA-N -1 1 348.443 2.351 20 0 EEADMM Fc1cc(F)c2c(c1)CCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826372807 607485480 /nfs/dbraw/zinc/48/54/80/607485480.db2.gz MLIYTROMSWRDKO-UHFFFAOYSA-N -1 1 328.326 2.493 20 0 EEADMM Fc1cc(F)c2c(c1)CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826372807 607485482 /nfs/dbraw/zinc/48/54/82/607485482.db2.gz MLIYTROMSWRDKO-UHFFFAOYSA-N -1 1 328.326 2.493 20 0 EEADMM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1)N(C)C ZINC000832803650 601136534 /nfs/dbraw/zinc/13/65/34/601136534.db2.gz RAFJVMPXFZXKBI-CABZTGNLSA-N -1 1 348.321 2.167 20 0 EEADMM CC(C)[C@H](CNC(=O)CN[C@](C)(C(=O)[O-])C1CC1)c1ccccc1 ZINC000826687883 601173261 /nfs/dbraw/zinc/17/32/61/601173261.db2.gz REMICNLXLHYPRI-LPHOPBHVSA-N -1 1 332.444 2.385 20 0 EEADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000828413502 601178905 /nfs/dbraw/zinc/17/89/05/601178905.db2.gz SRPJZHGEFQAZGX-CPUCHLNUSA-N -1 1 330.428 2.391 20 0 EEADMM CCCc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000829550829 601295060 /nfs/dbraw/zinc/29/50/60/601295060.db2.gz YGWFTPJYUMTGSQ-UHFFFAOYSA-N -1 1 345.403 2.112 20 0 EEADMM O=C([O-])c1nn(CN2CCC(Cn3cccn3)CC2)c2ccccc21 ZINC000833346493 601400785 /nfs/dbraw/zinc/40/07/85/601400785.db2.gz KECUVLKZYNAGGT-UHFFFAOYSA-N -1 1 339.399 2.301 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000833174983 601438356 /nfs/dbraw/zinc/43/83/56/601438356.db2.gz KVKVMIXSASCPGZ-OAHLLOKOSA-N -1 1 339.754 2.431 20 0 EEADMM O=C([O-])[C@]1(F)CCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC000833176408 601440093 /nfs/dbraw/zinc/44/00/93/601440093.db2.gz YSMKTYBXCVSYMK-KSSFIOAISA-N -1 1 333.359 2.078 20 0 EEADMM C[C@@H]1CN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C[C@@H]1C(=O)[O-] ZINC000828465408 601513129 /nfs/dbraw/zinc/51/31/29/601513129.db2.gz XTRIYHYHVLOJQH-KOLCDFICSA-N -1 1 346.456 2.305 20 0 EEADMM C[C@@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1C(=O)[O-] ZINC000828438617 601530967 /nfs/dbraw/zinc/53/09/67/601530967.db2.gz FIKXYURWDQFHOI-SCZZXKLOSA-N -1 1 337.376 2.026 20 0 EEADMM CCOc1ccc(-c2noc(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000830054029 601535491 /nfs/dbraw/zinc/53/54/91/601535491.db2.gz JGWHRAQBNAXBNH-FZMZJTMJSA-N -1 1 331.372 2.288 20 0 EEADMM Cc1cc(NC(=O)CN[C@H](C(=O)[O-])C(C)C)ccc1Br ZINC000035391345 601822368 /nfs/dbraw/zinc/82/23/68/601822368.db2.gz HGVRIAHBOWQFMF-ZDUSSCGKSA-N -1 1 343.221 2.395 20 0 EEADMM O=C([O-])[C@@H](OC(=O)CCc1nc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000833105048 602089670 /nfs/dbraw/zinc/08/96/70/602089670.db2.gz XDRBRTUWXONBEG-LBPRGKRZSA-N -1 1 344.154 2.413 20 0 EEADMM CC(=O)Nc1ccc(Cl)c(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823999657 607550230 /nfs/dbraw/zinc/55/02/30/607550230.db2.gz GCGPXHHPHCYWFB-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CC(=O)Nc1ccc(Cl)c(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000823999657 607550232 /nfs/dbraw/zinc/55/02/32/607550232.db2.gz GCGPXHHPHCYWFB-UHFFFAOYSA-N -1 1 343.778 2.486 20 0 EEADMM CN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)C1CCC(CO)CC1 ZINC000830874752 602387717 /nfs/dbraw/zinc/38/77/17/602387717.db2.gz LRDKOGIGKWDETJ-UHFFFAOYSA-N -1 1 345.399 2.017 20 0 EEADMM O=S(=O)(Oc1ccccc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826494035 607573029 /nfs/dbraw/zinc/57/30/29/607573029.db2.gz MITKAINDDIYXOZ-UHFFFAOYSA-N -1 1 336.760 2.288 20 0 EEADMM CN(CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000828090997 603935289 /nfs/dbraw/zinc/93/52/89/603935289.db2.gz UHAISHIPDZDPIX-GFCCVEGCSA-N -1 1 336.779 2.490 20 0 EEADMM COc1ccc(CN(C)c2cc(-c3nnn[n-]3)nc3ccccc32)cn1 ZINC000826193092 607678027 /nfs/dbraw/zinc/67/80/27/607678027.db2.gz PJCNWTMQHWLCBZ-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM COc1ccc(CN(C)c2cc(-c3nn[n-]n3)nc3ccccc32)cn1 ZINC000826193092 607678028 /nfs/dbraw/zinc/67/80/28/607678028.db2.gz PJCNWTMQHWLCBZ-UHFFFAOYSA-N -1 1 347.382 2.455 20 0 EEADMM Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC000832883143 604306559 /nfs/dbraw/zinc/30/65/59/604306559.db2.gz IPOLKCDEUYPWIG-SSDOTTSWSA-N -1 1 338.314 2.447 20 0 EEADMM CN(C)[C@H](CNC(=O)Nc1cncc(C(=O)[O-])c1)c1cccs1 ZINC000830581361 604323127 /nfs/dbraw/zinc/32/31/27/604323127.db2.gz NLSACINFBWGJIF-GFCCVEGCSA-N -1 1 334.401 2.266 20 0 EEADMM CC(C)c1nn(C)cc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833511699 604501440 /nfs/dbraw/zinc/50/14/40/604501440.db2.gz DQBGORMSDCTQKM-UHFFFAOYSA-N -1 1 327.344 2.370 20 0 EEADMM C[C@H](CN(CC(=O)Nc1nc2c(s1)CCCC2)C1CC1)C(=O)[O-] ZINC000827449898 604742750 /nfs/dbraw/zinc/74/27/50/604742750.db2.gz QCDMSRLKLPSMBP-SNVBAGLBSA-N -1 1 337.445 2.146 20 0 EEADMM Cc1ccc(-c2nnc(CNC3(CC(=O)[O-])CCOCC3)o2)cc1 ZINC000832908535 604790791 /nfs/dbraw/zinc/79/07/91/604790791.db2.gz NJIVQWWUDSLQCS-UHFFFAOYSA-N -1 1 331.372 2.159 20 0 EEADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCc1ccccc1 ZINC000826295094 607716788 /nfs/dbraw/zinc/71/67/88/607716788.db2.gz QXFUWQUGOLGFKY-UHFFFAOYSA-N -1 1 332.367 2.128 20 0 EEADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833633747 605052626 /nfs/dbraw/zinc/05/26/26/605052626.db2.gz ZTXUNNGIKHICCA-QWQRMKEZSA-N -1 1 345.443 2.110 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc2ccccc21 ZINC000833627550 605095664 /nfs/dbraw/zinc/09/56/64/605095664.db2.gz YKHTYIFBMZMTSN-AWEZNQCLSA-N -1 1 326.396 2.461 20 0 EEADMM CN(Cc1ccc(C(=O)[O-])[nH]1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000833696626 605108105 /nfs/dbraw/zinc/10/81/05/605108105.db2.gz OYYQPUXGSSVVHM-HNNXBMFYSA-N -1 1 349.456 2.280 20 0 EEADMM CC(C)(C)C(=O)N[C@@H]1CCCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000833420085 605208732 /nfs/dbraw/zinc/20/87/32/605208732.db2.gz AIFNCEVQQLNAJH-CQSZACIVSA-N -1 1 348.443 2.390 20 0 EEADMM CC1(C)C[C@H](N(CC(=O)NCC(=O)[O-])Cc2ccccc2)C(C)(C)O1 ZINC000833556396 605247040 /nfs/dbraw/zinc/24/70/40/605247040.db2.gz VMWKEKQZFDTTNZ-HNNXBMFYSA-N -1 1 348.443 2.036 20 0 EEADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833619115 605278951 /nfs/dbraw/zinc/27/89/51/605278951.db2.gz SLGZMJGCWBFONS-CYBMUJFWSA-N -1 1 336.407 2.111 20 0 EEADMM Cc1ccc(C[C@@H](C)C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cc1 ZINC000833748214 605472683 /nfs/dbraw/zinc/47/26/83/605472683.db2.gz DNVOCFDKRDVWIY-CVEARBPZSA-N -1 1 332.444 2.181 20 0 EEADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc3ccccc32)n1 ZINC000822620268 606167437 /nfs/dbraw/zinc/16/74/37/606167437.db2.gz PCBGUMTWGPAADQ-UHFFFAOYSA-N -1 1 348.370 2.075 20 0 EEADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc3ccccc32)n1 ZINC000822620268 606167439 /nfs/dbraw/zinc/16/74/39/606167439.db2.gz PCBGUMTWGPAADQ-UHFFFAOYSA-N -1 1 348.370 2.075 20 0 EEADMM O=c1[nH]c2c(cc1CNc1ccc(Cl)c(-c3nnn[n-]3)n1)CCC2 ZINC000823658009 606467968 /nfs/dbraw/zinc/46/79/68/606467968.db2.gz YBBVZMKPFVMWMW-UHFFFAOYSA-N -1 1 343.778 2.117 20 0 EEADMM O=c1[nH]c2c(cc1CNc1ccc(Cl)c(-c3nn[n-]n3)n1)CCC2 ZINC000823658009 606467969 /nfs/dbraw/zinc/46/79/69/606467969.db2.gz YBBVZMKPFVMWMW-UHFFFAOYSA-N -1 1 343.778 2.117 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144364 606538673 /nfs/dbraw/zinc/53/86/73/606538673.db2.gz FOVWQTYOOWHOIK-WDEREUQCSA-N -1 1 329.360 2.353 20 0 EEADMM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144364 606538675 /nfs/dbraw/zinc/53/86/75/606538675.db2.gz FOVWQTYOOWHOIK-WDEREUQCSA-N -1 1 329.360 2.353 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1cccc(F)c1 ZINC000820269974 606573384 /nfs/dbraw/zinc/57/33/84/606573384.db2.gz QZHQASWVHQAXEY-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1cccc(F)c1 ZINC000820269974 606573386 /nfs/dbraw/zinc/57/33/86/606573386.db2.gz QZHQASWVHQAXEY-SECBINFHSA-N -1 1 347.375 2.265 20 0 EEADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819883206 606650947 /nfs/dbraw/zinc/65/09/47/606650947.db2.gz FUNPOJNSASDMDU-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819883206 606650948 /nfs/dbraw/zinc/65/09/48/606650948.db2.gz FUNPOJNSASDMDU-JTQLQIEISA-N -1 1 327.319 2.248 20 0 EEADMM CC(C)(C)c1csc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000819965877 606751650 /nfs/dbraw/zinc/75/16/50/606751650.db2.gz QMUKAFINJFAYMR-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC(C)(C)c1csc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000819965877 606751651 /nfs/dbraw/zinc/75/16/51/606751651.db2.gz QMUKAFINJFAYMR-UHFFFAOYSA-N -1 1 344.400 2.373 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820939782 606762392 /nfs/dbraw/zinc/76/23/92/606762392.db2.gz YBQDDIXRVMATLC-OAHLLOKOSA-N -1 1 345.403 2.433 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820939782 606762394 /nfs/dbraw/zinc/76/23/94/606762394.db2.gz YBQDDIXRVMATLC-OAHLLOKOSA-N -1 1 345.403 2.433 20 0 EEADMM CCCC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCC1 ZINC000821044163 606835892 /nfs/dbraw/zinc/83/58/92/606835892.db2.gz XPGGXPLNSQBGJP-GFCCVEGCSA-N -1 1 332.412 2.081 20 0 EEADMM CCCC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCC1 ZINC000821044163 606835894 /nfs/dbraw/zinc/83/58/94/606835894.db2.gz XPGGXPLNSQBGJP-GFCCVEGCSA-N -1 1 332.412 2.081 20 0 EEADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc3ccccc3o2)c2ccccc21 ZINC000823658054 606873683 /nfs/dbraw/zinc/87/36/83/606873683.db2.gz ZGPVKHDUGBFSMG-UHFFFAOYSA-N -1 1 344.334 2.371 20 0 EEADMM CCCc1nnc(Sc2nnc(CC)c(CC)c2-c2nn[n-]n2)o1 ZINC000821143036 607030473 /nfs/dbraw/zinc/03/04/73/607030473.db2.gz PGOUSAIYEMGSAI-UHFFFAOYSA-N -1 1 346.420 2.268 20 0 EEADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C[C@H]1n1ccnc1 ZINC000820727103 607046643 /nfs/dbraw/zinc/04/66/43/607046643.db2.gz GQIXEPXEZWQRKK-CMPLNLGQSA-N -1 1 344.810 2.199 20 0 EEADMM C[C@H]1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C[C@H]1n1ccnc1 ZINC000820727103 607046644 /nfs/dbraw/zinc/04/66/44/607046644.db2.gz GQIXEPXEZWQRKK-CMPLNLGQSA-N -1 1 344.810 2.199 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823380214 607108524 /nfs/dbraw/zinc/10/85/24/607108524.db2.gz SLSQVPMFILWKGG-YUMQZZPRSA-N -1 1 348.338 2.344 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000823380214 607108525 /nfs/dbraw/zinc/10/85/25/607108525.db2.gz SLSQVPMFILWKGG-YUMQZZPRSA-N -1 1 348.338 2.344 20 0 EEADMM Cc1cccc([C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000822288926 607127614 /nfs/dbraw/zinc/12/76/14/607127614.db2.gz NJDYVIPRWAIHRT-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1cccc([C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000822288926 607127616 /nfs/dbraw/zinc/12/76/16/607127616.db2.gz NJDYVIPRWAIHRT-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM CSc1nc(C2CC2)cc(C(=O)NC2CC=CC2)c1-c1nn[n-]n1 ZINC000821989471 607132997 /nfs/dbraw/zinc/13/29/97/607132997.db2.gz LQGADNMRVPPVFI-UHFFFAOYSA-N -1 1 342.428 2.309 20 0 EEADMM Clc1nsc(N2CC[C@@H](C3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826354218 607851494 /nfs/dbraw/zinc/85/14/94/607851494.db2.gz UALCJABXCDSNQZ-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM Clc1nsc(N2CC[C@@H](C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826354218 607851495 /nfs/dbraw/zinc/85/14/95/607851495.db2.gz UALCJABXCDSNQZ-SECBINFHSA-N -1 1 340.840 2.230 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2c2cccc(-c3nnn[n-]3)n2)no1 ZINC000824358212 607898057 /nfs/dbraw/zinc/89/80/57/607898057.db2.gz CBLQINWLSUHGGR-LLVKDONJSA-N -1 1 326.364 2.110 20 0 EEADMM CC(C)c1nc([C@H]2CCCN2c2cccc(-c3nn[n-]n3)n2)no1 ZINC000824358212 607898058 /nfs/dbraw/zinc/89/80/58/607898058.db2.gz CBLQINWLSUHGGR-LLVKDONJSA-N -1 1 326.364 2.110 20 0 EEADMM CC[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c(C)noc1C ZINC000825039377 607997800 /nfs/dbraw/zinc/99/78/00/607997800.db2.gz RAXFMEIJVFCGPY-NSHDSACASA-N -1 1 342.359 2.309 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H](O)C(F)(F)F ZINC000825148626 608232348 /nfs/dbraw/zinc/23/23/48/608232348.db2.gz RIWUEUUXVJDFHZ-HZGVNTEJSA-N -1 1 336.705 2.029 20 0 EEADMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H](O)C(F)(F)F ZINC000825148626 608232350 /nfs/dbraw/zinc/23/23/50/608232350.db2.gz RIWUEUUXVJDFHZ-HZGVNTEJSA-N -1 1 336.705 2.029 20 0 EEADMM Cc1ccnc(-c2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2)n1 ZINC000826308574 608420415 /nfs/dbraw/zinc/42/04/15/608420415.db2.gz GJYZCTYGJDCLEY-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM Cc1ccnc(-c2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2)n1 ZINC000826308574 608420417 /nfs/dbraw/zinc/42/04/17/608420417.db2.gz GJYZCTYGJDCLEY-UHFFFAOYSA-N -1 1 331.343 2.166 20 0 EEADMM Cc1nc([C@@H]2CCCCN2Cc2ccc(-c3nn[n-]n3)s2)no1 ZINC000826324856 608617956 /nfs/dbraw/zinc/61/79/56/608617956.db2.gz HCRWJOFVVKMVAD-NSHDSACASA-N -1 1 331.405 2.347 20 0 EEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908580 609135517 /nfs/dbraw/zinc/13/55/17/609135517.db2.gz PYGWMCJDWDJEKG-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908580 609135518 /nfs/dbraw/zinc/13/55/18/609135518.db2.gz PYGWMCJDWDJEKG-WCBMZHEXSA-N -1 1 340.309 2.065 20 0 EEADMM CC=CC=CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825029414 609290452 /nfs/dbraw/zinc/29/04/52/609290452.db2.gz SBOLPGFHHZTSTN-HOJFPOIOSA-N -1 1 339.334 2.262 20 0 EEADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCC[C@@H]1CCCCO1 ZINC000826523430 609582373 /nfs/dbraw/zinc/58/23/73/609582373.db2.gz MRVKKFQVJACETR-NSHDSACASA-N -1 1 325.376 2.181 20 0 EEADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCC[C@@H]1CCCCO1 ZINC000826523430 609582375 /nfs/dbraw/zinc/58/23/75/609582375.db2.gz MRVKKFQVJACETR-NSHDSACASA-N -1 1 325.376 2.181 20 0 EEADMM CCc1cc(CNC(=O)c2nn(-c3ccccc3CC)cc2[O-])n[nH]1 ZINC000084391087 675504017 /nfs/dbraw/zinc/50/40/17/675504017.db2.gz YFDCYWRFUMNLAH-UHFFFAOYSA-N -1 1 339.399 2.356 20 0 EEADMM Cc1c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cnn1CC(C)C ZINC000891612721 676722569 /nfs/dbraw/zinc/72/25/69/676722569.db2.gz AMRIWKMWCWFLQP-UHFFFAOYSA-N -1 1 329.404 2.474 20 0 EEADMM O=C(CSC[C@@H]1CCCCO1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891621845 676732443 /nfs/dbraw/zinc/73/24/43/676732443.db2.gz JANSSIMMEXELTD-NSHDSACASA-N -1 1 337.445 2.302 20 0 EEADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)[C@H]1CCOC1 ZINC000866874153 678456491 /nfs/dbraw/zinc/45/64/91/678456491.db2.gz FQGOTXIHKBKMPN-SFYZADRCSA-N -1 1 325.217 2.092 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1=CCCC1 ZINC000984801406 685277448 /nfs/dbraw/zinc/27/74/48/685277448.db2.gz OUYGQJQLPKOOFT-UONOGXRCSA-N -1 1 329.400 2.007 20 0 EEADMM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310598588 680064906 /nfs/dbraw/zinc/06/49/06/680064906.db2.gz PZILHXGCRWVKTA-QGZVFWFLSA-N -1 1 338.407 2.318 20 0 EEADMM Cc1ccoc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937363493 681345733 /nfs/dbraw/zinc/34/57/33/681345733.db2.gz VKJWCAKWHGUEHD-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM Cc1cocc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000937363534 681345772 /nfs/dbraw/zinc/34/57/72/681345772.db2.gz XGWOWNMDKINGDU-ZDUSSCGKSA-N -1 1 343.383 2.113 20 0 EEADMM COc1cc(CNC[C@H]2CCCCN2C(=O)c2ccccc2O)on1 ZINC001024877079 681524156 /nfs/dbraw/zinc/52/41/56/681524156.db2.gz XSZAHVPYMAVMRJ-CYBMUJFWSA-N -1 1 345.399 2.173 20 0 EEADMM CN(C(=O)C[C@@H]1C=CCCC1)[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937216795 681699592 /nfs/dbraw/zinc/69/95/92/681699592.db2.gz MMDJTVRGNOAEPF-CABCVRRESA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)[C@@H]1CCCC1(C)C)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217582 681711623 /nfs/dbraw/zinc/71/16/23/681711623.db2.gz XDAFPOKKDRLVOD-KGLIPLIRSA-N -1 1 345.443 2.286 20 0 EEADMM CC(=O)N[C@H](CC(=O)[N-]O[C@H]1CCCCO1)c1c(F)cccc1F ZINC000066645525 681785057 /nfs/dbraw/zinc/78/50/57/681785057.db2.gz CUEHNWMSRNLIIH-HIFRSBDPSA-N -1 1 342.342 2.107 20 0 EEADMM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000048409447 682472223 /nfs/dbraw/zinc/47/22/23/682472223.db2.gz BUPQTKZDIYKYIF-HTRCEHHLSA-N -1 1 339.156 2.304 20 0 EEADMM C[C@H]1C[C@H](CC(=O)N[C@H]2C[C@H](NC(=O)c3cnn[nH]3)C2)CC(C)(C)C1 ZINC000973436014 682607219 /nfs/dbraw/zinc/60/72/19/682607219.db2.gz KBHKXSFPCJRXEL-CRWXNKLISA-N -1 1 347.463 2.034 20 0 EEADMM Cc1nc(CN2CCC[C@H]([C@@H](C)NC(=O)c3ncccc3[O-])C2)co1 ZINC001025398429 682673169 /nfs/dbraw/zinc/67/31/69/682673169.db2.gz USSSCICJVVFHBV-OCCSQVGLSA-N -1 1 344.415 2.114 20 0 EEADMM Cc1nnc(CN[C@H](C)C2CCN(C(=O)c3ccccc3O)CC2)o1 ZINC001029052899 682810393 /nfs/dbraw/zinc/81/03/93/682810393.db2.gz DCMQRSKGLPEPDC-GFCCVEGCSA-N -1 1 344.415 2.114 20 0 EEADMM C[C@]1(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000909407593 683182233 /nfs/dbraw/zinc/18/22/33/683182233.db2.gz UDVTWGDUUJJGBT-KXBFYZLASA-N -1 1 330.428 2.151 20 0 EEADMM CCS[C@H](C)c1noc(CN(C)c2cc(=O)[n-]c(COC)n2)n1 ZINC000892946193 683259287 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C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896464978 684988666 /nfs/dbraw/zinc/98/86/66/684988666.db2.gz PMAOFKVMGJNSNZ-GEDWGEIESA-N -1 1 333.409 2.233 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CC=CCC1 ZINC001059515155 686278216 /nfs/dbraw/zinc/27/82/16/686278216.db2.gz SKKPTWIHIQADMS-CABCVRRESA-N -1 1 343.427 2.112 20 0 EEADMM Cc1nc(CN(C)C2CCN(C(=O)c3ncccc3[O-])CC2)cs1 ZINC000985395484 686514947 /nfs/dbraw/zinc/51/49/47/686514947.db2.gz OAOOGPFIXSSIPR-UHFFFAOYSA-N -1 1 346.456 2.289 20 0 EEADMM CC(C(=O)N1CC[C@H](CCNC(=O)c2ncccc2[O-])C1)=C1CCC1 ZINC001059617386 687428935 /nfs/dbraw/zinc/42/89/35/687428935.db2.gz KHUBDHSWZBAAJS-AWEZNQCLSA-N -1 1 343.427 2.256 20 0 EEADMM CN(Cc1n[nH]c(=O)[n-]1)CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC001029929309 688403826 /nfs/dbraw/zinc/40/38/26/688403826.db2.gz RVCBHYSKCAJBBP-UHFFFAOYSA-N -1 1 349.479 2.151 20 0 EEADMM C[C@@H]1C[C@H](C(=O)[O-])CN(CC(=O)N2CCSc3ccccc32)C1 ZINC000263369157 689760524 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EEADMM CCc1nc(CN(C)C(=O)c2cc(-c3nn[n-]n3)oc2C)cs1 ZINC001609254752 1351911739 /nfs/dbraw/zinc/91/17/39/1351911739.db2.gz ZODJWJGFLYHRNO-UHFFFAOYSA-N -1 1 332.389 2.059 20 0 EEADMM CN(C[C@H]1CCCOC1)c1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609273741 1351917421 /nfs/dbraw/zinc/91/74/21/1351917421.db2.gz ABAOJJPGUJJPLJ-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CN(C[C@H]1CCCOC1)c1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609273741 1351917422 /nfs/dbraw/zinc/91/74/22/1351917422.db2.gz ABAOJJPGUJJPLJ-SECBINFHSA-N -1 1 342.325 2.143 20 0 EEADMM CN1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)Cc2ccccc21 ZINC001609285694 1351921874 /nfs/dbraw/zinc/92/18/74/1351921874.db2.gz PDSPAZNDDJJQKN-UHFFFAOYSA-N -1 1 347.835 2.433 20 0 EEADMM CN1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)Cc2ccccc21 ZINC001609285694 1351921877 /nfs/dbraw/zinc/92/18/77/1351921877.db2.gz PDSPAZNDDJJQKN-UHFFFAOYSA-N -1 1 347.835 2.433 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609345075 1351940079 /nfs/dbraw/zinc/94/00/79/1351940079.db2.gz IALOYYMNDBRPOZ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1cc(Cl)ccc1NC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609345075 1351940080 /nfs/dbraw/zinc/94/00/80/1351940080.db2.gz IALOYYMNDBRPOZ-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC001609391841 1351958003 /nfs/dbraw/zinc/95/80/03/1351958003.db2.gz XDKODQPGIVSBIA-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC001609391841 1351958005 /nfs/dbraw/zinc/95/80/05/1351958005.db2.gz XDKODQPGIVSBIA-UHFFFAOYSA-N -1 1 335.415 2.424 20 0 EEADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)nn1C(C)C ZINC001609408821 1351964961 /nfs/dbraw/zinc/96/49/61/1351964961.db2.gz MWCUEOKCWUDCDS-UHFFFAOYSA-N -1 1 329.339 2.344 20 0 EEADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)nn1C(C)C ZINC001609408821 1351964963 /nfs/dbraw/zinc/96/49/63/1351964963.db2.gz MWCUEOKCWUDCDS-UHFFFAOYSA-N -1 1 329.339 2.344 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC001609408448 1351965209 /nfs/dbraw/zinc/96/52/09/1351965209.db2.gz VRYWUMWTHMZTSD-UHFFFAOYSA-N -1 1 327.348 2.242 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)nc(C(C)C)n1 ZINC001609408448 1351965211 /nfs/dbraw/zinc/96/52/11/1351965211.db2.gz VRYWUMWTHMZTSD-UHFFFAOYSA-N -1 1 327.348 2.242 20 0 EEADMM Cc1ccc(NCCOc2ccc(F)cc2F)nc1-c1nnn[n-]1 ZINC001609426197 1351971902 /nfs/dbraw/zinc/97/19/02/1351971902.db2.gz IJEYQCWKFXFYON-UHFFFAOYSA-N -1 1 332.314 2.339 20 0 EEADMM Cc1ccc(NCCOc2ccc(F)cc2F)nc1-c1nn[n-]n1 ZINC001609426197 1351971907 /nfs/dbraw/zinc/97/19/07/1351971907.db2.gz IJEYQCWKFXFYON-UHFFFAOYSA-N -1 1 332.314 2.339 20 0 EEADMM Cc1ccccc1O[C@H](C)CNC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001609437258 1351976828 /nfs/dbraw/zinc/97/68/28/1351976828.db2.gz URVYLAFEZNWPQS-LLVKDONJSA-N -1 1 343.412 2.434 20 0 EEADMM Cc1[nH]nc(NC(=O)[C@H](OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC001609444287 1351980007 /nfs/dbraw/zinc/98/00/07/1351980007.db2.gz UDXDZYGRTVSMQT-CYBMUJFWSA-N -1 1 341.375 2.003 20 0 EEADMM Cc1nsc(NCc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC001609466111 1351988124 /nfs/dbraw/zinc/98/81/24/1351988124.db2.gz DEUPXRBSMCJJJS-UHFFFAOYSA-N -1 1 338.400 2.429 20 0 EEADMM Clc1cccc(OCCCOc2cnc(-c3nn[n-]n3)nc2)c1 ZINC001609473663 1351990629 /nfs/dbraw/zinc/99/06/29/1351990629.db2.gz BLHGOXBSQCWSQA-UHFFFAOYSA-N -1 1 332.751 2.158 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)OCO3)nc1-c1nnn[n-]1 ZINC001609473449 1351991103 /nfs/dbraw/zinc/99/11/03/1351991103.db2.gz LRWQCDYHUZTZEQ-UHFFFAOYSA-N -1 1 330.735 2.256 20 0 EEADMM Clc1ccc(NCc2ccc3c(c2)OCO3)nc1-c1nn[n-]n1 ZINC001609473449 1351991106 /nfs/dbraw/zinc/99/11/06/1351991106.db2.gz LRWQCDYHUZTZEQ-UHFFFAOYSA-N -1 1 330.735 2.256 20 0 EEADMM Fc1cccc2c1OCC[C@@H]2NCc1nc(-c2nnn[n-]2)cs1 ZINC001609492080 1351997612 /nfs/dbraw/zinc/99/76/12/1351997612.db2.gz CAJFDUQLKOJPMU-JTQLQIEISA-N -1 1 332.364 2.076 20 0 EEADMM Fc1cccc2c1OCC[C@@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001609492080 1351997613 /nfs/dbraw/zinc/99/76/13/1351997613.db2.gz CAJFDUQLKOJPMU-JTQLQIEISA-N -1 1 332.364 2.076 20 0 EEADMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001609540789 1352009437 /nfs/dbraw/zinc/00/94/37/1352009437.db2.gz NHBJGFZXSVXHTA-ZBFHGGJFSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001609540789 1352009440 /nfs/dbraw/zinc/00/94/40/1352009440.db2.gz NHBJGFZXSVXHTA-ZBFHGGJFSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N(CC(F)(F)F)C1CCCC1 ZINC001609582655 1352026540 /nfs/dbraw/zinc/02/65/40/1352026540.db2.gz FAHBATPRXRSNQQ-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N(CC(F)(F)F)C1CCCC1 ZINC001609582655 1352026542 /nfs/dbraw/zinc/02/65/42/1352026542.db2.gz FAHBATPRXRSNQQ-UHFFFAOYSA-N -1 1 340.309 2.209 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@H](c2ccncc2)C1 ZINC001609584838 1352027301 /nfs/dbraw/zinc/02/73/01/1352027301.db2.gz KLBJUGUKZWUADO-LBPRGKRZSA-N -1 1 340.412 2.343 20 0 EEADMM c1ccc(-c2nnc(COc3cccnc3-c3nnn[n-]3)s2)cc1 ZINC001609615957 1352040054 /nfs/dbraw/zinc/04/00/54/1352040054.db2.gz DUJSFDNYDZUOQI-UHFFFAOYSA-N -1 1 337.368 2.359 20 0 EEADMM c1ccc(-c2nnc(COc3cccnc3-c3nn[n-]n3)s2)cc1 ZINC001609615957 1352040056 /nfs/dbraw/zinc/04/00/56/1352040056.db2.gz DUJSFDNYDZUOQI-UHFFFAOYSA-N -1 1 337.368 2.359 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1cc(-c2nnn[n-]2)ncn1 ZINC001609617981 1352042069 /nfs/dbraw/zinc/04/20/69/1352042069.db2.gz LHSSWBMNPVCPDU-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM c1ccc2c(c1)cccc2OCCNc1cc(-c2nn[n-]n2)ncn1 ZINC001609617981 1352042073 /nfs/dbraw/zinc/04/20/73/1352042073.db2.gz LHSSWBMNPVCPDU-UHFFFAOYSA-N -1 1 333.355 2.301 20 0 EEADMM CC(C)(C)N1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001334218225 1336223220 /nfs/dbraw/zinc/22/32/20/1336223220.db2.gz SMLZEWQDSFLRTD-UHFFFAOYSA-N -1 1 343.427 2.351 20 0 EEADMM CC(C)[C@@]1(CO)CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)C1 ZINC001609688405 1352059796 /nfs/dbraw/zinc/05/97/96/1352059796.db2.gz KLZCUPNUHBMQLE-IBGZPJMESA-N -1 1 344.411 2.389 20 0 EEADMM C[C@@](N)(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC001609761804 1352078727 /nfs/dbraw/zinc/07/87/27/1352078727.db2.gz NKFXSJIMNONCOJ-KUHUBIRLSA-N -1 1 344.386 2.059 20 0 EEADMM C[C@H](N[C@H](C(=O)[O-])C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC001609775294 1352082343 /nfs/dbraw/zinc/08/23/43/1352082343.db2.gz NSAUPBSDONGKAV-GUYCJALGSA-N -1 1 345.443 2.457 20 0 EEADMM C[C@@H](NCC(=O)N1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001609780605 1352083505 /nfs/dbraw/zinc/08/35/05/1352083505.db2.gz UALKFCKLPZGVCX-CQSZACIVSA-N -1 1 334.416 2.203 20 0 EEADMM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCN1 ZINC001609817046 1352092670 /nfs/dbraw/zinc/09/26/70/1352092670.db2.gz VCEBPNFMGIHAEH-UHFFFAOYSA-N -1 1 346.431 2.201 20 0 EEADMM C[C@@]1(c2ccccc2)CCN(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC001609824753 1352094429 /nfs/dbraw/zinc/09/44/29/1352094429.db2.gz JERXNJPOOLJAOB-APWZRJJASA-N -1 1 342.439 2.321 20 0 EEADMM CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC001609899853 1352114559 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0 EEADMM CCc1c(NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cnn1CC(C)C ZINC001351701603 1337839525 /nfs/dbraw/zinc/83/95/25/1337839525.db2.gz XHYLONVTFGDFRM-UHFFFAOYSA-N -1 1 335.433 2.447 20 0 EEADMM O=C(Nc1nc(Br)ccc1[O-])c1ccn(C(F)F)n1 ZINC000783909565 1371373719 /nfs/dbraw/zinc/37/37/19/1371373719.db2.gz AZGOCGFYPSBWDX-UHFFFAOYSA-N -1 1 333.092 2.394 20 0 EEADMM CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)[C@H]1CCC(C)(C)C1 ZINC001610110128 1352164173 /nfs/dbraw/zinc/16/41/73/1352164173.db2.gz GDRUBMUDIHFYDE-NSHDSACASA-N -1 1 325.434 2.219 20 0 EEADMM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CCOc3ccccc3C2)c1 ZINC001610218391 1352189104 /nfs/dbraw/zinc/18/91/04/1352189104.db2.gz NWCSFVWMEWITGM-KRWDZBQOSA-N -1 1 341.363 2.494 20 0 EEADMM CCN(CCNC(=O)c1ncccc1[O-])c1nc2ccccc2o1 ZINC001100500863 1338443933 /nfs/dbraw/zinc/44/39/33/1338443933.db2.gz FTDOSOQBKMLAAL-UHFFFAOYSA-N -1 1 326.356 2.185 20 0 EEADMM O=C(CCCC1CC1)NC[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001428122761 1339412714 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CN(C[C@H]1CCN(C(=O)CCC2(C)CC2)C1)C(=O)c1ncccc1[O-] ZINC001432121663 1341218894 /nfs/dbraw/zinc/21/88/94/1341218894.db2.gz QZFXACGNKKWHSO-CQSZACIVSA-N -1 1 345.443 2.288 20 0 EEADMM CCCc1ccc(C(=O)NC[C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001433534786 1341620144 /nfs/dbraw/zinc/62/01/44/1341620144.db2.gz OWPXAFAWIOFKPA-ZDUSSCGKSA-N -1 1 341.411 2.288 20 0 EEADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C ZINC001434045053 1341753223 /nfs/dbraw/zinc/75/32/23/1341753223.db2.gz WFSXIBHJGPKRKH-VWYCJHECSA-N -1 1 336.392 2.150 20 0 EEADMM O=C(c1ncccc1[O-])N1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC001434856565 1341969718 /nfs/dbraw/zinc/96/97/18/1341969718.db2.gz CCPBOAJACCJMMD-UHFFFAOYSA-N -1 1 347.802 2.104 20 0 EEADMM CN(C)c1nc([C@H]2CCN(Cc3nc4ccccc4[nH]3)C2)cc(=O)[nH]1 ZINC001553874942 1342378239 /nfs/dbraw/zinc/37/82/39/1342378239.db2.gz VDOZSBRXOFITCK-LBPRGKRZSA-N -1 1 338.415 2.114 20 0 EEADMM COC(=O)C[C@@H]1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001579451163 1344383741 /nfs/dbraw/zinc/38/37/41/1344383741.db2.gz MAPWAEWIQNPSTR-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM COC(=O)C[C@@H]1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001579451163 1344383745 /nfs/dbraw/zinc/38/37/45/1344383745.db2.gz MAPWAEWIQNPSTR-RQJHMYQMSA-N -1 1 342.812 2.120 20 0 EEADMM CO[C@H](CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC001579594630 1344398406 /nfs/dbraw/zinc/39/84/06/1344398406.db2.gz OJPVJKIWKRBBCN-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM CO[C@H](CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC001579594630 1344398410 /nfs/dbraw/zinc/39/84/10/1344398410.db2.gz OJPVJKIWKRBBCN-GFCCVEGCSA-N -1 1 331.767 2.110 20 0 EEADMM O=C(CSc1cccnc1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC001582133413 1344705087 /nfs/dbraw/zinc/70/50/87/1344705087.db2.gz DZRYKWLDICDLIE-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(CSc1cccnc1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC001582133413 1344705092 /nfs/dbraw/zinc/70/50/92/1344705092.db2.gz DZRYKWLDICDLIE-UHFFFAOYSA-N -1 1 330.348 2.132 20 0 EEADMM O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001582137210 1344705808 /nfs/dbraw/zinc/70/58/08/1344705808.db2.gz RGDLYIWEQFZNJL-UHFFFAOYSA-N -1 1 345.366 2.438 20 0 EEADMM O=C(Nc1cnc(C2CC2)nc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001582649576 1344777848 /nfs/dbraw/zinc/77/78/48/1344777848.db2.gz AJAJMIWFGYGWGH-UHFFFAOYSA-N -1 1 343.297 2.065 20 0 EEADMM O=C(Nc1cnc(C2CC2)nc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001582649576 1344777854 /nfs/dbraw/zinc/77/78/54/1344777854.db2.gz AJAJMIWFGYGWGH-UHFFFAOYSA-N -1 1 343.297 2.065 20 0 EEADMM OCCc1ccc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)cc1 ZINC001582814010 1344795564 /nfs/dbraw/zinc/79/55/64/1344795564.db2.gz OISJXSULKLQTFU-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2cc(-c3nnn[n-]3)ncn2)n1 ZINC001582818140 1344797578 /nfs/dbraw/zinc/79/75/78/1344797578.db2.gz DLWMFYAAJIMAIN-CYBMUJFWSA-N -1 1 334.343 2.041 20 0 EEADMM c1coc([C@@H](Cc2ccccc2)Nc2cc(-c3nn[n-]n3)ncn2)n1 ZINC001582818140 1344797582 /nfs/dbraw/zinc/79/75/82/1344797582.db2.gz DLWMFYAAJIMAIN-CYBMUJFWSA-N -1 1 334.343 2.041 20 0 EEADMM CC(=CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001588767856 1348933170 /nfs/dbraw/zinc/93/31/70/1348933170.db2.gz GSHVBJZFRDELAD-YVMONPNESA-N -1 1 329.751 2.285 20 0 EEADMM CC(=O)c1ccc(N(C)C)cc1OCc1ccc(-c2nnn[n-]2)o1 ZINC001588915671 1348947259 /nfs/dbraw/zinc/94/72/59/1348947259.db2.gz MMIULXDMDFHGGE-UHFFFAOYSA-N -1 1 327.344 2.307 20 0 EEADMM CC(=O)c1ccc(N(C)C)cc1OCc1ccc(-c2nn[n-]n2)o1 ZINC001588915671 1348947262 /nfs/dbraw/zinc/94/72/62/1348947262.db2.gz MMIULXDMDFHGGE-UHFFFAOYSA-N -1 1 327.344 2.307 20 0 EEADMM CC(C)(C)c1ccc(C=CC(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001589227643 1348972524 /nfs/dbraw/zinc/97/25/24/1348972524.db2.gz FNYZUYAEYUNRAO-RMKNXTFCSA-N -1 1 337.387 2.297 20 0 EEADMM CC(C)(C)c1ccc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001589227947 1348972761 /nfs/dbraw/zinc/97/27/61/1348972761.db2.gz MRIJDUYUMODIBX-UHFFFAOYSA-N -1 1 325.376 2.069 20 0 EEADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001589248891 1348974821 /nfs/dbraw/zinc/97/48/21/1348974821.db2.gz BZNYBHMCERFTPI-VWYCJHECSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001589248891 1348974823 /nfs/dbraw/zinc/97/48/23/1348974823.db2.gz BZNYBHMCERFTPI-VWYCJHECSA-N -1 1 329.408 2.193 20 0 EEADMM CC(C)=CCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589372008 1348987868 /nfs/dbraw/zinc/98/78/68/1348987868.db2.gz PHABNQNORZWWGW-SNVBAGLBSA-N -1 1 341.462 2.341 20 0 EEADMM CC(C)=CCC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589372008 1348987873 /nfs/dbraw/zinc/98/78/73/1348987873.db2.gz PHABNQNORZWWGW-SNVBAGLBSA-N -1 1 341.462 2.341 20 0 EEADMM CC(C)[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001589476834 1348993883 /nfs/dbraw/zinc/99/38/83/1348993883.db2.gz WMKQRGWDWNAITF-LBPRGKRZSA-N -1 1 332.799 2.458 20 0 EEADMM CC(C)[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001589476834 1348993887 /nfs/dbraw/zinc/99/38/87/1348993887.db2.gz WMKQRGWDWNAITF-LBPRGKRZSA-N -1 1 332.799 2.458 20 0 EEADMM CC(C)C[C@@H](C)NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589550545 1349003743 /nfs/dbraw/zinc/00/37/43/1349003743.db2.gz KOWGNPIAMJOKQB-MRVPVSSYSA-N -1 1 342.325 2.445 20 0 EEADMM CC(C)CCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001589588221 1349007474 /nfs/dbraw/zinc/00/74/74/1349007474.db2.gz LMWIBLHGDAGBRL-UHFFFAOYSA-N -1 1 339.197 2.399 20 0 EEADMM CC(C)CCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001589588221 1349007479 /nfs/dbraw/zinc/00/74/79/1349007479.db2.gz LMWIBLHGDAGBRL-UHFFFAOYSA-N -1 1 339.197 2.399 20 0 EEADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc(F)c(C(F)F)c2)CC1 ZINC001589628641 1349013084 /nfs/dbraw/zinc/01/30/84/1349013084.db2.gz RDZZFVWPNIECGJ-UHFFFAOYSA-N -1 1 344.333 2.384 20 0 EEADMM CC(C)c1ccc(OCCNc2ncncc2-c2nn[n-]n2)cc1 ZINC001589768660 1349034278 /nfs/dbraw/zinc/03/42/78/1349034278.db2.gz CBUASDLMPHRAPB-UHFFFAOYSA-N -1 1 325.376 2.271 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001589777372 1349038228 /nfs/dbraw/zinc/03/82/28/1349038228.db2.gz VALOTPRSHGQGSS-UHFFFAOYSA-N -1 1 348.370 2.285 20 0 EEADMM CC(C)c1nc2ccccn2c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001589777372 1349038230 /nfs/dbraw/zinc/03/82/30/1349038230.db2.gz VALOTPRSHGQGSS-UHFFFAOYSA-N -1 1 348.370 2.285 20 0 EEADMM C[C@@H](Nc1cccnc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC001589985843 1349094287 /nfs/dbraw/zinc/09/42/87/1349094287.db2.gz SHQITRMXHQUUEQ-DJNLSKAYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@@H](Nc1cccnc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC001589985843 1349094289 /nfs/dbraw/zinc/09/42/89/1349094289.db2.gz SHQITRMXHQUUEQ-DJNLSKAYSA-N -1 1 328.401 2.172 20 0 EEADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1ccc(F)cc1 ZINC001590015556 1349109385 /nfs/dbraw/zinc/10/93/85/1349109385.db2.gz IYVIWJWQPDFLEB-MRVPVSSYSA-N -1 1 346.343 2.496 20 0 EEADMM CC1(C)OCC[C@H]1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC001590116912 1349161756 /nfs/dbraw/zinc/16/17/56/1349161756.db2.gz FERJUAXZQFIQTI-JTQLQIEISA-N -1 1 325.376 2.037 20 0 EEADMM CC1(C)OCC[C@H]1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC001590116912 1349161761 /nfs/dbraw/zinc/16/17/61/1349161761.db2.gz FERJUAXZQFIQTI-JTQLQIEISA-N -1 1 325.376 2.037 20 0 EEADMM C[C@@]1(CNc2cc(C(F)(F)F)cnc2-c2nnn[n-]2)CCOC1 ZINC001590133833 1349169622 /nfs/dbraw/zinc/16/96/22/1349169622.db2.gz HHTPUAIUVPWUPE-LBPRGKRZSA-N -1 1 328.298 2.119 20 0 EEADMM C[C@@]1(CNc2cc(C(F)(F)F)cnc2-c2nn[n-]n2)CCOC1 ZINC001590133833 1349169629 /nfs/dbraw/zinc/16/96/29/1349169629.db2.gz HHTPUAIUVPWUPE-LBPRGKRZSA-N -1 1 328.298 2.119 20 0 EEADMM C[C@H]1CCCC[C@@H]1Cn1cc2c(c(-c3nn[n-]n3)c1=O)CCCC2=O ZINC001590252913 1349228932 /nfs/dbraw/zinc/22/89/32/1349228932.db2.gz PRWSXUBIDKZGEX-NWDGAFQWSA-N -1 1 341.415 2.374 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)n2)[C@@H]2CCCC[C@@H]12 ZINC001590270240 1349242120 /nfs/dbraw/zinc/24/21/20/1349242120.db2.gz QQZHAPIQQNAQIP-TYNCELHUSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)n2)[C@@H]2CCCC[C@@H]12 ZINC001590270240 1349242127 /nfs/dbraw/zinc/24/21/27/1349242127.db2.gz QQZHAPIQQNAQIP-TYNCELHUSA-N -1 1 326.404 2.303 20 0 EEADMM C[C@@H]1CCN(c2cccnc2-c2nnn[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274437 1349243547 /nfs/dbraw/zinc/24/35/47/1349243547.db2.gz KOJXKYXGNKKHOJ-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCN(c2cccnc2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001590274437 1349243551 /nfs/dbraw/zinc/24/35/51/1349243551.db2.gz KOJXKYXGNKKHOJ-VXGBXAGGSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CCN(c2cc(Br)cnc2-c2nnn[n-]2)C[C@H]1F ZINC001590276437 1349245355 /nfs/dbraw/zinc/24/53/55/1349245355.db2.gz NWAQGWDDDVTRAW-VXNVDRBHSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@@H]1CCN(c2cc(Br)cnc2-c2nn[n-]n2)C[C@H]1F ZINC001590276437 1349245357 /nfs/dbraw/zinc/24/53/57/1349245357.db2.gz NWAQGWDDDVTRAW-VXNVDRBHSA-N -1 1 341.188 2.209 20 0 EEADMM C[C@H]1CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001590300475 1349251835 /nfs/dbraw/zinc/25/18/35/1349251835.db2.gz XNMUWMSIIRQVNK-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@H]1CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001590300475 1349251840 /nfs/dbraw/zinc/25/18/40/1349251840.db2.gz XNMUWMSIIRQVNK-LBPRGKRZSA-N -1 1 334.383 2.064 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)C[C@@H](c2ccsc2)O1 ZINC001590308673 1349256932 /nfs/dbraw/zinc/25/69/32/1349256932.db2.gz IAHGKNKYLIHVRO-CABZTGNLSA-N -1 1 348.457 2.347 20 0 EEADMM C[C@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)C[C@@H](c2ccsc2)O1 ZINC001590308673 1349256936 /nfs/dbraw/zinc/25/69/36/1349256936.db2.gz IAHGKNKYLIHVRO-CABZTGNLSA-N -1 1 348.457 2.347 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nnn[n-]2)n1)c1nc2ccccc2[nH]1 ZINC001590474623 1349347095 /nfs/dbraw/zinc/34/70/95/1349347095.db2.gz LGAKNKKRIQGNKU-JTQLQIEISA-N -1 1 335.375 2.405 20 0 EEADMM CC[C@H](Nc1nc(C)cc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC001590474623 1349347102 /nfs/dbraw/zinc/34/71/02/1349347102.db2.gz LGAKNKKRIQGNKU-JTQLQIEISA-N -1 1 335.375 2.405 20 0 EEADMM CC[C@H](O)CN(Cc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001590477550 1349349370 /nfs/dbraw/zinc/34/93/70/1349349370.db2.gz VDAAOXCTRWEFRN-LBPRGKRZSA-N -1 1 330.417 2.101 20 0 EEADMM CC[C@H](O)CN(Cc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001590477550 1349349380 /nfs/dbraw/zinc/34/93/80/1349349380.db2.gz VDAAOXCTRWEFRN-LBPRGKRZSA-N -1 1 330.417 2.101 20 0 EEADMM CCc1nc(NCc2cc(C)c(O)c(C)c2)cc(-c2nnn[n-]2)n1 ZINC001590922968 1349414355 /nfs/dbraw/zinc/41/43/55/1349414355.db2.gz DRWPVXYLHMCVBT-UHFFFAOYSA-N -1 1 325.376 2.154 20 0 EEADMM CCc1nc(NCc2cc(C)c(O)c(C)c2)cc(-c2nn[n-]n2)n1 ZINC001590922968 1349414362 /nfs/dbraw/zinc/41/43/62/1349414362.db2.gz DRWPVXYLHMCVBT-UHFFFAOYSA-N -1 1 325.376 2.154 20 0 EEADMM CCc1nn(C[C@@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC001590929564 1349415942 /nfs/dbraw/zinc/41/59/42/1349415942.db2.gz DIWADUJYISIJSI-RYUDHWBXSA-N -1 1 330.436 2.375 20 0 EEADMM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590979613 1349427341 /nfs/dbraw/zinc/42/73/41/1349427341.db2.gz GITVAIYBWRGNEX-ZDUSSCGKSA-N -1 1 348.410 2.420 20 0 EEADMM CN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590979613 1349427346 /nfs/dbraw/zinc/42/73/46/1349427346.db2.gz GITVAIYBWRGNEX-ZDUSSCGKSA-N -1 1 348.410 2.420 20 0 EEADMM CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590992493 1349428221 /nfs/dbraw/zinc/42/82/21/1349428221.db2.gz ZKAUMFISAZAXEE-UHFFFAOYSA-N -1 1 338.302 2.424 20 0 EEADMM CN(C(=O)c1cc2cccc(F)c2o1)c1ccc(-c2nn[n-]n2)nc1 ZINC001590992493 1349428223 /nfs/dbraw/zinc/42/82/23/1349428223.db2.gz ZKAUMFISAZAXEE-UHFFFAOYSA-N -1 1 338.302 2.424 20 0 EEADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C ZINC001590993313 1349429142 /nfs/dbraw/zinc/42/91/42/1349429142.db2.gz WAKHPMJJYLHNJC-UHFFFAOYSA-N -1 1 339.384 2.092 20 0 EEADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)c1nc2ccccc2n1C ZINC001590993313 1349429143 /nfs/dbraw/zinc/42/91/43/1349429143.db2.gz WAKHPMJJYLHNJC-UHFFFAOYSA-N -1 1 339.384 2.092 20 0 EEADMM COC(=O)c1scc(C)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001591309110 1349460130 /nfs/dbraw/zinc/46/01/30/1349460130.db2.gz FKZNTQOQMQNRSE-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1scc(C)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001591309110 1349460134 /nfs/dbraw/zinc/46/01/34/1349460134.db2.gz FKZNTQOQMQNRSE-UHFFFAOYSA-N -1 1 349.397 2.337 20 0 EEADMM COC(=O)c1csc(SCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001591307556 1349460322 /nfs/dbraw/zinc/46/03/22/1349460322.db2.gz OJTUYYRAUGWZLQ-UHFFFAOYSA-N -1 1 339.427 2.464 20 0 EEADMM CO[C@H]1CCOc2c(NCc3nc(-c4nnn[n-]4)cs3)cccc21 ZINC001591363482 1349473535 /nfs/dbraw/zinc/47/35/35/1349473535.db2.gz UERQVYMIEHFKMU-LBPRGKRZSA-N -1 1 344.400 2.405 20 0 EEADMM CO[C@H]1CCOc2c(NCc3nc(-c4nn[n-]n4)cs3)cccc21 ZINC001591363482 1349473540 /nfs/dbraw/zinc/47/35/40/1349473540.db2.gz UERQVYMIEHFKMU-LBPRGKRZSA-N -1 1 344.400 2.405 20 0 EEADMM COCCOc1ccc(Sc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001591445297 1349485162 /nfs/dbraw/zinc/48/51/62/1349485162.db2.gz ITYROWDNQUZBNO-UHFFFAOYSA-N -1 1 329.385 2.438 20 0 EEADMM COCCOc1ccc(Sc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001591445297 1349485164 /nfs/dbraw/zinc/48/51/64/1349485164.db2.gz ITYROWDNQUZBNO-UHFFFAOYSA-N -1 1 329.385 2.438 20 0 EEADMM COc1cc(Cl)ccc1OC(=O)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001591539725 1349502290 /nfs/dbraw/zinc/50/22/90/1349502290.db2.gz HJKHWIKHJGRREZ-UHFFFAOYSA-N -1 1 346.730 2.454 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001591606471 1349513536 /nfs/dbraw/zinc/51/35/36/1349513536.db2.gz HIIWHHCNWBNFCP-UHFFFAOYSA-N -1 1 345.309 2.430 20 0 EEADMM COc1ccc(N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001591606471 1349513541 /nfs/dbraw/zinc/51/35/41/1349513541.db2.gz HIIWHHCNWBNFCP-UHFFFAOYSA-N -1 1 345.309 2.430 20 0 EEADMM CSC1(CNC(=O)c2cccc(-c3nnn[n-]3)n2)CCCCC1 ZINC001591688032 1349528267 /nfs/dbraw/zinc/52/82/67/1349528267.db2.gz AGOLZCQDFUHOHP-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM CSC1(CNC(=O)c2cccc(-c3nn[n-]n3)n2)CCCCC1 ZINC001591688032 1349528275 /nfs/dbraw/zinc/52/82/75/1349528275.db2.gz AGOLZCQDFUHOHP-UHFFFAOYSA-N -1 1 332.433 2.057 20 0 EEADMM Cc1cc(=O)oc2cc(NC(=O)c3coc(-c4nnn[n-]4)c3)ccc12 ZINC001591905316 1349556023 /nfs/dbraw/zinc/55/60/23/1349556023.db2.gz XELPKNXQYDSOGB-UHFFFAOYSA-N -1 1 337.295 2.127 20 0 EEADMM Cc1cc(=O)oc2cc(NC(=O)c3coc(-c4nn[n-]n4)c3)ccc12 ZINC001591905316 1349556029 /nfs/dbraw/zinc/55/60/29/1349556029.db2.gz XELPKNXQYDSOGB-UHFFFAOYSA-N -1 1 337.295 2.127 20 0 EEADMM Cc1csc([C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001592313001 1349619352 /nfs/dbraw/zinc/61/93/52/1349619352.db2.gz NHCVWNLYRMWXKY-LLVKDONJSA-N -1 1 330.373 2.106 20 0 EEADMM Cc1csc([C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001592313001 1349619357 /nfs/dbraw/zinc/61/93/57/1349619357.db2.gz NHCVWNLYRMWXKY-LLVKDONJSA-N -1 1 330.373 2.106 20 0 EEADMM Cc1nc([C@H]2CCCN2c2cc(-c3nnn[n-]3)nc(C)n2)cs1 ZINC001592341699 1349623069 /nfs/dbraw/zinc/62/30/69/1349623069.db2.gz ZUEQDRMILDXGSF-GFCCVEGCSA-N -1 1 328.405 2.072 20 0 EEADMM Cc1nc([C@H]2CCCN2c2cc(-c3nn[n-]n3)nc(C)n2)cs1 ZINC001592341699 1349623070 /nfs/dbraw/zinc/62/30/70/1349623070.db2.gz ZUEQDRMILDXGSF-GFCCVEGCSA-N -1 1 328.405 2.072 20 0 EEADMM Cc1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383346 1349625728 /nfs/dbraw/zinc/62/57/28/1349625728.db2.gz XWMSTNJVQGPNGU-ZFWWWQNUSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383346 1349625729 /nfs/dbraw/zinc/62/57/29/1349625729.db2.gz XWMSTNJVQGPNGU-ZFWWWQNUSA-N -1 1 337.387 2.297 20 0 EEADMM Cc1nc(N[C@@H]2CCOC3(CCCCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001592383337 1349626010 /nfs/dbraw/zinc/62/60/10/1349626010.db2.gz XEFAXOBIRNCODX-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1nc(N[C@@H]2CCOC3(CCCCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001592383337 1349626011 /nfs/dbraw/zinc/62/60/11/1349626011.db2.gz XEFAXOBIRNCODX-GFCCVEGCSA-N -1 1 329.408 2.259 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592429066 1349630538 /nfs/dbraw/zinc/63/05/38/1349630538.db2.gz FJFPERGVURRHJH-VIFPVBQESA-N -1 1 343.391 2.211 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592429066 1349630542 /nfs/dbraw/zinc/63/05/42/1349630542.db2.gz FJFPERGVURRHJH-VIFPVBQESA-N -1 1 343.391 2.211 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(CC(C)C)s2)c1-c1nnn[n-]1 ZINC001592433191 1349631913 /nfs/dbraw/zinc/63/19/13/1349631913.db2.gz VTZHBZLSJJNTKQ-UHFFFAOYSA-N -1 1 345.432 2.421 20 0 EEADMM Cc1nn(C)c(NC(=O)c2ccc(CC(C)C)s2)c1-c1nn[n-]n1 ZINC001592433191 1349631914 /nfs/dbraw/zinc/63/19/14/1349631914.db2.gz VTZHBZLSJJNTKQ-UHFFFAOYSA-N -1 1 345.432 2.421 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC/C=C/Cl ZINC001592507036 1349642673 /nfs/dbraw/zinc/64/26/73/1349642673.db2.gz VNVFKSCOAMTCSG-SNAWJCMRSA-N -1 1 333.735 2.468 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC/C=C/Cl ZINC001592507036 1349642675 /nfs/dbraw/zinc/64/26/75/1349642675.db2.gz VNVFKSCOAMTCSG-SNAWJCMRSA-N -1 1 333.735 2.468 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@]1(C)C[C@@H]1F ZINC001592505669 1349643146 /nfs/dbraw/zinc/64/31/46/1349643146.db2.gz BXHIRGYYUHPVOL-QFYYESIMSA-N -1 1 345.334 2.464 20 0 EEADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@]1(C)C[C@@H]1F ZINC001592505669 1349643149 /nfs/dbraw/zinc/64/31/49/1349643149.db2.gz BXHIRGYYUHPVOL-QFYYESIMSA-N -1 1 345.334 2.464 20 0 EEADMM Clc1sc(NC[C@@H]2C[C@H]3CCC[C@H]3O2)nc1-c1nn[n-]n1 ZINC001592543088 1349654943 /nfs/dbraw/zinc/65/49/43/1349654943.db2.gz MORYSDNBUMXFIZ-GJMOJQLCSA-N -1 1 326.813 2.346 20 0 EEADMM Cn1ccc2ccc(C(=O)Nc3n[nH]c(C4CC4)c3-c3nn[n-]n3)cc21 ZINC001592582167 1349662756 /nfs/dbraw/zinc/66/27/56/1349662756.db2.gz ULBDLBCCEUDSLE-UHFFFAOYSA-N -1 1 348.370 2.211 20 0 EEADMM Fc1cc(CNc2nc(C3CC3)ns2)cc(F)c1-c1nnn[n-]1 ZINC001592639329 1349687634 /nfs/dbraw/zinc/68/76/34/1349687634.db2.gz XOOFSBTUVGGOKP-UHFFFAOYSA-N -1 1 335.343 2.486 20 0 EEADMM Fc1cc(CNc2nc(C3CC3)ns2)cc(F)c1-c1nn[n-]n1 ZINC001592639329 1349687637 /nfs/dbraw/zinc/68/76/37/1349687637.db2.gz XOOFSBTUVGGOKP-UHFFFAOYSA-N -1 1 335.343 2.486 20 0 EEADMM O=C(CCc1ccc2ccccc2c1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592851058 1349719858 /nfs/dbraw/zinc/71/98/58/1349719858.db2.gz QJKOXQQIJQXWEV-UHFFFAOYSA-N -1 1 333.355 2.314 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1coc(-c2nnn[n-]2)c1 ZINC001592954679 1349728992 /nfs/dbraw/zinc/72/89/92/1349728992.db2.gz FGWBWFWXWZUAQL-DZGCQCFKSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1coc(-c2nn[n-]n2)c1 ZINC001592954679 1349728998 /nfs/dbraw/zinc/72/89/98/1349728998.db2.gz FGWBWFWXWZUAQL-DZGCQCFKSA-N -1 1 339.355 2.110 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1coc(-c2nnn[n-]2)c1 ZINC001592955462 1349729439 /nfs/dbraw/zinc/72/94/39/1349729439.db2.gz RNHHQQBQRRILBJ-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H](c1ccccc1)c1ccncc1)c1coc(-c2nn[n-]n2)c1 ZINC001592955462 1349729445 /nfs/dbraw/zinc/72/94/45/1349729445.db2.gz RNHHQQBQRRILBJ-MRXNPFEDSA-N -1 1 346.350 2.374 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001592998616 1349732946 /nfs/dbraw/zinc/73/29/46/1349732946.db2.gz YAOMGMVOFRFAMH-JTQLQIEISA-N -1 1 327.369 2.427 20 0 EEADMM O=C(N[C@H]1CCSc2ccccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001592998616 1349732950 /nfs/dbraw/zinc/73/29/50/1349732950.db2.gz YAOMGMVOFRFAMH-JTQLQIEISA-N -1 1 327.369 2.427 20 0 EEADMM O=C(NCCCCc1ccccc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001593068795 1349737747 /nfs/dbraw/zinc/73/77/47/1349737747.db2.gz KRVDZKLRNJPNKD-UHFFFAOYSA-N -1 1 337.387 2.406 20 0 EEADMM O=C(NCCCCc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001593068795 1349737751 /nfs/dbraw/zinc/73/77/51/1349737751.db2.gz KRVDZKLRNJPNKD-UHFFFAOYSA-N -1 1 337.387 2.406 20 0 EEADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001593137558 1349739617 /nfs/dbraw/zinc/73/96/17/1349739617.db2.gz IHXXDEFAJBBLGL-PHIMTYICSA-N -1 1 330.417 2.036 20 0 EEADMM O=C(NCc1ccccc1Br)c1coc(-c2nnn[n-]2)c1 ZINC001593145336 1349742479 /nfs/dbraw/zinc/74/24/79/1349742479.db2.gz LBQSMLHEXACXAN-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(NCc1ccccc1Br)c1coc(-c2nn[n-]n2)c1 ZINC001593145336 1349742482 /nfs/dbraw/zinc/74/24/82/1349742482.db2.gz LBQSMLHEXACXAN-UHFFFAOYSA-N -1 1 348.160 2.152 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CC(Cc2ccsc2)C1 ZINC001593242844 1349748265 /nfs/dbraw/zinc/74/82/65/1349748265.db2.gz COCBQALXOCBLSN-UHFFFAOYSA-N -1 1 341.400 2.030 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CC(Cc2ccsc2)C1 ZINC001593242844 1349748270 /nfs/dbraw/zinc/74/82/70/1349748270.db2.gz COCBQALXOCBLSN-UHFFFAOYSA-N -1 1 341.400 2.030 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001593243909 1349748847 /nfs/dbraw/zinc/74/88/47/1349748847.db2.gz RQMFDIXEPPVKDI-BDAKNGLRSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001593243909 1349748852 /nfs/dbraw/zinc/74/88/52/1349748852.db2.gz RQMFDIXEPPVKDI-BDAKNGLRSA-N -1 1 342.309 2.282 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1conc1C1CCCC1 ZINC001593267454 1349755710 /nfs/dbraw/zinc/75/57/10/1349755710.db2.gz GJNZKFGUEBICAP-UHFFFAOYSA-N -1 1 331.361 2.221 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1conc1C1CCCC1 ZINC001593267454 1349755715 /nfs/dbraw/zinc/75/57/15/1349755715.db2.gz GJNZKFGUEBICAP-UHFFFAOYSA-N -1 1 331.361 2.221 20 0 EEADMM O=C([O-])[C@@H]1CCCCCC[C@@H]1[NH2+]Cc1csc(-c2nn[n-]n2)c1 ZINC001593274959 1349758409 /nfs/dbraw/zinc/75/84/09/1349758409.db2.gz SHUWKDUWXDAMPA-NEPJUHHUSA-N -1 1 335.433 2.441 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@H]1C[C@]12CCc1ccccc12 ZINC001593297453 1349770142 /nfs/dbraw/zinc/77/01/42/1349770142.db2.gz JNPKPFUIMNTWQB-KDOFPFPSSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@H]1C[C@]12CCc1ccccc12 ZINC001593297453 1349770147 /nfs/dbraw/zinc/77/01/47/1349770147.db2.gz JNPKPFUIMNTWQB-KDOFPFPSSA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)[C@@H]1C[C@]12CCc1ccccc12 ZINC001593297456 1349770820 /nfs/dbraw/zinc/77/08/20/1349770820.db2.gz JNPKPFUIMNTWQB-KSSFIOAISA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)[C@@H]1C[C@]12CCc1ccccc12 ZINC001593297456 1349770823 /nfs/dbraw/zinc/77/08/23/1349770823.db2.gz JNPKPFUIMNTWQB-KSSFIOAISA-N -1 1 336.351 2.407 20 0 EEADMM O=C(OCc1ccc(-c2nnn[n-]2)o1)C1(c2cccnc2)CCCC1 ZINC001593298139 1349771467 /nfs/dbraw/zinc/77/14/67/1349771467.db2.gz XLYKYXPYXRMTEN-UHFFFAOYSA-N -1 1 339.355 2.410 20 0 EEADMM O=C(OCc1ccc(-c2nn[n-]n2)o1)C1(c2cccnc2)CCCC1 ZINC001593298139 1349771473 /nfs/dbraw/zinc/77/14/73/1349771473.db2.gz XLYKYXPYXRMTEN-UHFFFAOYSA-N -1 1 339.355 2.410 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)C12CC(c3ccccc3)(C1)C2 ZINC001593301488 1349773665 /nfs/dbraw/zinc/77/36/65/1349773665.db2.gz JRQOTWFVQPZFDK-UHFFFAOYSA-N -1 1 347.378 2.427 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)C12CC(c3ccccc3)(C1)C2 ZINC001593301488 1349773669 /nfs/dbraw/zinc/77/36/69/1349773669.db2.gz JRQOTWFVQPZFDK-UHFFFAOYSA-N -1 1 347.378 2.427 20 0 EEADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CCc2cc(Cl)ccc2C1 ZINC001593349158 1349788133 /nfs/dbraw/zinc/78/81/33/1349788133.db2.gz ZUZZSHSCVSJVQI-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CCc2cc(Cl)ccc2C1 ZINC001593349158 1349788139 /nfs/dbraw/zinc/78/81/39/1349788139.db2.gz ZUZZSHSCVSJVQI-UHFFFAOYSA-N -1 1 340.774 2.114 20 0 EEADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCOC2(CCCCC2)C1 ZINC001593362175 1349790987 /nfs/dbraw/zinc/79/09/87/1349790987.db2.gz JXFBCUBOMNTITH-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCOC2(CCCCC2)C1 ZINC001593362175 1349790991 /nfs/dbraw/zinc/79/09/91/1349790991.db2.gz JXFBCUBOMNTITH-UHFFFAOYSA-N -1 1 333.417 2.104 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001593369757 1349791554 /nfs/dbraw/zinc/79/15/54/1349791554.db2.gz PXTCUICSJNBZOH-AWEZNQCLSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001593369757 1349791557 /nfs/dbraw/zinc/79/15/57/1349791557.db2.gz PXTCUICSJNBZOH-AWEZNQCLSA-N -1 1 339.355 2.064 20 0 EEADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1ccc(-c2nnn[n-]2)s1 ZINC001593397056 1349796578 /nfs/dbraw/zinc/79/65/78/1349796578.db2.gz NTTJGTYSMRPGHF-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1ccc(-c2nn[n-]n2)s1 ZINC001593397056 1349796582 /nfs/dbraw/zinc/79/65/82/1349796582.db2.gz NTTJGTYSMRPGHF-UHFFFAOYSA-N -1 1 341.352 2.032 20 0 EEADMM O=c1c2ccccc2c(-c2nn[n-]n2)cn1Cc1ccc2c(c1)COC2 ZINC001593495170 1349819727 /nfs/dbraw/zinc/81/97/27/1349819727.db2.gz WTSCKNCVCFHRSV-UHFFFAOYSA-N -1 1 345.362 2.260 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCCCC1 ZINC001593506689 1349824200 /nfs/dbraw/zinc/82/42/00/1349824200.db2.gz KNVIIEFNRUKZQQ-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM O[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCCCC1 ZINC001593506689 1349824203 /nfs/dbraw/zinc/82/42/03/1349824203.db2.gz KNVIIEFNRUKZQQ-MRVPVSSYSA-N -1 1 328.829 2.330 20 0 EEADMM OCC[C@@H]1CCCCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001593528918 1349832212 /nfs/dbraw/zinc/83/22/12/1349832212.db2.gz 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0 EEADMM CCOc1cccc(C=CC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001604464892 1350943029 /nfs/dbraw/zinc/94/30/29/1350943029.db2.gz KVECWNMAHZISMA-MDZDMXLPSA-N -1 1 336.355 2.312 20 0 EEADMM CCc1c2ccccc2oc1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001604504343 1350950895 /nfs/dbraw/zinc/95/08/95/1350950895.db2.gz UDNCFYZCKDYOHS-UHFFFAOYSA-N -1 1 337.343 2.161 20 0 EEADMM CCc1c2ccccc2oc1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001604504343 1350950897 /nfs/dbraw/zinc/95/08/97/1350950897.db2.gz UDNCFYZCKDYOHS-UHFFFAOYSA-N -1 1 337.343 2.161 20 0 EEADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](c3ccccc3F)C2)n1 ZINC001604544351 1350958549 /nfs/dbraw/zinc/95/85/49/1350958549.db2.gz KTVKQUXGPAMDGG-LLVKDONJSA-N -1 1 339.378 2.352 20 0 EEADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](c3ccccc3F)C2)n1 ZINC001604544351 1350958552 /nfs/dbraw/zinc/95/85/52/1350958552.db2.gz KTVKQUXGPAMDGG-LLVKDONJSA-N -1 1 339.378 2.352 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc(-c2nnn[n-]2)n1 ZINC001604569761 1350962183 /nfs/dbraw/zinc/96/21/83/1350962183.db2.gz OBYXXVLOEOBQRN-CMPLNLGQSA-N -1 1 343.341 2.465 20 0 EEADMM CCc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2F)cc(-c2nn[n-]n2)n1 ZINC001604569761 1350962187 /nfs/dbraw/zinc/96/21/87/1350962187.db2.gz OBYXXVLOEOBQRN-CMPLNLGQSA-N -1 1 343.341 2.465 20 0 EEADMM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])C2CC2)C[C@@](C)(F)C1 ZINC001604585793 1350965052 /nfs/dbraw/zinc/96/50/52/1350965052.db2.gz LBGNCYJVUHAWLU-BLLLJJGKSA-N -1 1 330.400 2.131 20 0 EEADMM CCc1oc2ccccc2c1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001604587753 1350966056 /nfs/dbraw/zinc/96/60/56/1350966056.db2.gz QRCYTODLTMRGTK-UHFFFAOYSA-N -1 1 337.343 2.080 20 0 EEADMM CCc1oc2ccccc2c1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001604587753 1350966058 /nfs/dbraw/zinc/96/60/58/1350966058.db2.gz QRCYTODLTMRGTK-UHFFFAOYSA-N -1 1 337.343 2.080 20 0 EEADMM CN(C(=O)c1csc(-c2nn[n-]n2)c1)C1CC(OC(C)(C)C)C1 ZINC001604666306 1350980694 /nfs/dbraw/zinc/98/06/94/1350980694.db2.gz NGVSININQKFRCO-UHFFFAOYSA-N -1 1 335.433 2.346 20 0 EEADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCN1CCC(=O)[O-] ZINC001604784450 1351001985 /nfs/dbraw/zinc/00/19/85/1351001985.db2.gz XQPKBRKGQGVNGM-CYBMUJFWSA-N -1 1 342.395 2.166 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(CCc2ccccc2)CC1 ZINC001604788005 1351003412 /nfs/dbraw/zinc/00/34/12/1351003412.db2.gz IQUYOCOSLUCPJD-MRXNPFEDSA-N -1 1 344.455 2.407 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1CCCC1(C)C ZINC001604790984 1351004805 /nfs/dbraw/zinc/00/48/05/1351004805.db2.gz QDXBUZJJKCQKSF-KBPBESRZSA-N -1 1 325.453 2.003 20 0 EEADMM CC[C@H](C(=O)[O-])C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001604873596 1351023824 /nfs/dbraw/zinc/02/38/24/1351023824.db2.gz MHMYGKHIAZVIKH-SWLSCSKDSA-N -1 1 331.347 2.134 20 0 EEADMM COC(=O)N(C)c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001604949732 1351037516 /nfs/dbraw/zinc/03/75/16/1351037516.db2.gz JACJQSGFZFXIRN-UHFFFAOYSA-N -1 1 325.332 2.208 20 0 EEADMM COC(=O)N(C)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001604949732 1351037519 /nfs/dbraw/zinc/03/75/19/1351037519.db2.gz JACJQSGFZFXIRN-UHFFFAOYSA-N -1 1 325.332 2.208 20 0 EEADMM COc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)o2)cc1F ZINC001605271585 1351121791 /nfs/dbraw/zinc/12/17/91/1351121791.db2.gz NXFWVEVXIOTYSM-UHFFFAOYSA-N -1 1 346.318 2.283 20 0 EEADMM COc1ccc(CCC(=O)OCc2ccc(-c3nn[n-]n3)o2)cc1F ZINC001605271585 1351121793 /nfs/dbraw/zinc/12/17/93/1351121793.db2.gz NXFWVEVXIOTYSM-UHFFFAOYSA-N -1 1 346.318 2.283 20 0 EEADMM COc1cccc(C=C2CCN(c3cc(-c4nnn[n-]4)ncn3)CC2)c1 ZINC001605319156 1351135523 /nfs/dbraw/zinc/13/55/23/1351135523.db2.gz DPYROHMSMCCFOV-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM COc1cccc(C=C2CCN(c3cc(-c4nn[n-]n4)ncn3)CC2)c1 ZINC001605319156 1351135526 /nfs/dbraw/zinc/13/55/26/1351135526.db2.gz DPYROHMSMCCFOV-UHFFFAOYSA-N -1 1 349.398 2.349 20 0 EEADMM COc1cccc(CNc2ccc(C)nc2-c2nnn[n-]2)c1OC ZINC001605318401 1351135781 /nfs/dbraw/zinc/13/57/81/1351135781.db2.gz VMBALIJXUJRUOO-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM COc1cccc(CNc2ccc(C)nc2-c2nn[n-]n2)c1OC ZINC001605318401 1351135786 /nfs/dbraw/zinc/13/57/86/1351135786.db2.gz VMBALIJXUJRUOO-UHFFFAOYSA-N -1 1 326.360 2.199 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCc4ccccc43)C2)n1 ZINC001605559622 1351190122 /nfs/dbraw/zinc/19/01/22/1351190122.db2.gz CKHPBBBTEXALSJ-GOSISDBHSA-N -1 1 333.399 2.059 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCc4ccccc43)C2)n1 ZINC001605559622 1351190123 /nfs/dbraw/zinc/19/01/23/1351190123.db2.gz CKHPBBBTEXALSJ-GOSISDBHSA-N -1 1 333.399 2.059 20 0 EEADMM Cc1cc(-c2nnn[n-]2)nc(NCCOc2ccc(F)c(Cl)c2)n1 ZINC001605580745 1351194053 /nfs/dbraw/zinc/19/40/53/1351194053.db2.gz LFLDRZOGDJYIMD-UHFFFAOYSA-N -1 1 349.757 2.249 20 0 EEADMM Cc1cc(-c2nn[n-]n2)nc(NCCOc2ccc(F)c(Cl)c2)n1 ZINC001605580745 1351194056 /nfs/dbraw/zinc/19/40/56/1351194056.db2.gz LFLDRZOGDJYIMD-UHFFFAOYSA-N -1 1 349.757 2.249 20 0 EEADMM CCO[C@@H]1C[C@@](NC(=O)c2cccc3nc(C)[nH]c32)(C(=O)[O-])C1(C)C ZINC001605609189 1351200356 /nfs/dbraw/zinc/20/03/56/1351200356.db2.gz UIJMBWIBXXAHOX-FZKQIMNGSA-N -1 1 345.399 2.260 20 0 EEADMM Cc1cc(C)c(C=CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC001605640589 1351208186 /nfs/dbraw/zinc/20/81/86/1351208186.db2.gz HTBHIQNIPPGDRV-WAYWQWQTSA-N -1 1 337.387 2.177 20 0 EEADMM Cc1cc(C)c(C=CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC001605640589 1351208188 /nfs/dbraw/zinc/20/81/88/1351208188.db2.gz HTBHIQNIPPGDRV-WAYWQWQTSA-N -1 1 337.387 2.177 20 0 EEADMM CCc1ccc(NC(=O)[C@H](C)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC001605819297 1351228319 /nfs/dbraw/zinc/22/83/19/1351228319.db2.gz VGBFXAKNECFPRW-VBNZEHGJSA-N -1 1 334.416 2.188 20 0 EEADMM CCc1ccccc1Nc1nc(N)nc(CN[C@](C)(CC)C(=O)[O-])n1 ZINC001605834972 1351232237 /nfs/dbraw/zinc/23/22/37/1351232237.db2.gz VVDOQHUKEVVOJA-QGZVFWFLSA-N -1 1 344.419 2.103 20 0 EEADMM CCc1ncc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2F)s1 ZINC001605861809 1351239816 /nfs/dbraw/zinc/23/98/16/1351239816.db2.gz ADPSBJIWYXICOP-UHFFFAOYSA-N -1 1 348.352 2.483 20 0 EEADMM Cc1ccc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c(-c2nnn[n-]2)n1 ZINC001605873694 1351243329 /nfs/dbraw/zinc/24/33/29/1351243329.db2.gz GURKKVZBYYFMRP-WCBMZHEXSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1ccc(NC[C@@H]2CC[C@H](C(F)(F)F)O2)c(-c2nn[n-]n2)n1 ZINC001605873694 1351243334 /nfs/dbraw/zinc/24/33/34/1351243334.db2.gz GURKKVZBYYFMRP-WCBMZHEXSA-N -1 1 328.298 2.092 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)NCCOc1ccc(C)cc1C ZINC001605876453 1351244091 /nfs/dbraw/zinc/24/40/91/1351244091.db2.gz IMMBGPUORQNXJB-UHFFFAOYSA-N -1 1 341.371 2.194 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)NCCOc1ccc(C)cc1C ZINC001605876453 1351244093 /nfs/dbraw/zinc/24/40/93/1351244093.db2.gz IMMBGPUORQNXJB-UHFFFAOYSA-N -1 1 341.371 2.194 20 0 EEADMM Cc1cccc(N2CCN(c3ccc(C)c(-c4nnn[n-]4)n3)CC2)c1 ZINC001605916488 1351253254 /nfs/dbraw/zinc/25/32/54/1351253254.db2.gz HUUJHPREJFFPSF-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1cccc(N2CCN(c3ccc(C)c(-c4nn[n-]n4)n3)CC2)c1 ZINC001605916488 1351253255 /nfs/dbraw/zinc/25/32/55/1351253255.db2.gz HUUJHPREJFFPSF-UHFFFAOYSA-N -1 1 335.415 2.205 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Br)cn1 ZINC001606168142 1351280940 /nfs/dbraw/zinc/28/09/40/1351280940.db2.gz BLWAMLAVZHROHW-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Br)cn1 ZINC001606168142 1351280943 /nfs/dbraw/zinc/28/09/43/1351280943.db2.gz BLWAMLAVZHROHW-UHFFFAOYSA-N -1 1 349.148 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)COc1ccccc1 ZINC001606168945 1351281168 /nfs/dbraw/zinc/28/11/68/1351281168.db2.gz CAIGEYBGLBUFNJ-JTQLQIEISA-N -1 1 328.328 2.392 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)COc1ccccc1 ZINC001606168945 1351281169 /nfs/dbraw/zinc/28/11/69/1351281169.db2.gz CAIGEYBGLBUFNJ-JTQLQIEISA-N -1 1 328.328 2.392 20 0 EEADMM COC(=O)CC[C@@H](C(=O)[O-])N1CCc2cc(OC)c(Cl)cc2C1 ZINC001606450237 1351303638 /nfs/dbraw/zinc/30/36/38/1351303638.db2.gz WQEHRVJQYQIOEM-ZDUSSCGKSA-N -1 1 341.791 2.113 20 0 EEADMM COC(=O)Cc1ccc(CNCc2ccccc2OCC(=O)[O-])cc1 ZINC001606481352 1351308175 /nfs/dbraw/zinc/30/81/75/1351308175.db2.gz YWMSAVQBZMCKGV-UHFFFAOYSA-N -1 1 343.379 2.155 20 0 EEADMM Cc1n[nH]c(C(=O)NC[C@@H](NC/C(Cl)=C\Cl)C(C)C)c1[O-] ZINC001374417877 1376797047 /nfs/dbraw/zinc/79/70/47/1376797047.db2.gz XALONANOTFMDLK-WXLQGSQKSA-N -1 1 335.235 2.087 20 0 EEADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1-c1ncco1 ZINC001606596955 1351329532 /nfs/dbraw/zinc/32/95/32/1351329532.db2.gz ZEJYMAYHCUJZQF-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1-c1ncco1 ZINC001606596955 1351329534 /nfs/dbraw/zinc/32/95/34/1351329534.db2.gz ZEJYMAYHCUJZQF-UHFFFAOYSA-N -1 1 347.338 2.098 20 0 EEADMM COC(=O)c1cccc([C@H](NCc2cnn3ccccc23)C(=O)[O-])c1 ZINC001606611739 1351331704 /nfs/dbraw/zinc/33/17/04/1351331704.db2.gz RSUMHJAVYYEFFG-INIZCTEOSA-N -1 1 339.351 2.036 20 0 EEADMM CO[C@H](CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl)[C@H]1CCOC1 ZINC001606676406 1351341080 /nfs/dbraw/zinc/34/10/80/1351341080.db2.gz OXGIZDUUFDVLHN-MRCXROJRSA-N -1 1 331.771 2.246 20 0 EEADMM COCCCn1c(=O)[nH]nc1S[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001606878316 1351369697 /nfs/dbraw/zinc/36/96/97/1351369697.db2.gz XCASXPXLFDWKIN-LLVKDONJSA-N -1 1 341.364 2.077 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc2c(cncc2Cl)s1 ZINC001606893536 1351370702 /nfs/dbraw/zinc/37/07/02/1351370702.db2.gz SIFLOOYSJXPBIY-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc2c(cncc2Cl)s1 ZINC001606893536 1351370705 /nfs/dbraw/zinc/37/07/05/1351370705.db2.gz SIFLOOYSJXPBIY-UHFFFAOYSA-N -1 1 346.763 2.105 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC001606934207 1351379977 /nfs/dbraw/zinc/37/99/77/1351379977.db2.gz XLQQAZBUOCKUIU-HNNXBMFYSA-N -1 1 349.398 2.405 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N[C@@H](Cc1ccccc1)C1CC1 ZINC001606934207 1351379978 /nfs/dbraw/zinc/37/99/78/1351379978.db2.gz XLQQAZBUOCKUIU-HNNXBMFYSA-N -1 1 349.398 2.405 20 0 EEADMM O=C(OC[C@@H]1CC1(Cl)Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC001606965797 1351386321 /nfs/dbraw/zinc/38/63/21/1351386321.db2.gz VCVRFDGIDYEJPG-LURJTMIESA-N -1 1 331.134 2.356 20 0 EEADMM O=C(OC[C@@H]1CC1(Cl)Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC001606965797 1351386328 /nfs/dbraw/zinc/38/63/28/1351386328.db2.gz VCVRFDGIDYEJPG-LURJTMIESA-N -1 1 331.134 2.356 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001607016723 1351398401 /nfs/dbraw/zinc/39/84/01/1351398401.db2.gz ALBIHWFUKOYKEH-MRVPVSSYSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCS[C@@H](C(F)(F)F)C1 ZINC001607016723 1351398402 /nfs/dbraw/zinc/39/84/02/1351398402.db2.gz ALBIHWFUKOYKEH-MRVPVSSYSA-N -1 1 349.363 2.048 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC001607031560 1351400767 /nfs/dbraw/zinc/40/07/67/1351400767.db2.gz GRHPTMMXBRRFSZ-MNOVXSKESA-N -1 1 335.458 2.428 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC001607030589 1351400832 /nfs/dbraw/zinc/40/08/32/1351400832.db2.gz JQDWJJZYQKESAP-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC001607030589 1351400835 /nfs/dbraw/zinc/40/08/35/1351400835.db2.gz JQDWJJZYQKESAP-UHFFFAOYSA-N -1 1 342.334 2.014 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N(CC(F)(F)F)C1CCC1 ZINC001607032374 1351401702 /nfs/dbraw/zinc/40/17/02/1351401702.db2.gz ZEUGBIRTEXTQIY-UHFFFAOYSA-N -1 1 331.323 2.485 20 0 EEADMM COc1cc(-c2noc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)ccc1C ZINC001607046095 1351404016 /nfs/dbraw/zinc/40/40/16/1351404016.db2.gz LURNFGWHJPMAEG-DGCLKSJQSA-N -1 1 331.372 2.206 20 0 EEADMM c1cc(-c2nc(CCC3CCOCC3)no2)sc1-c1nnn[n-]1 ZINC001607112927 1351423460 /nfs/dbraw/zinc/42/34/60/1351423460.db2.gz FOJMXMBWDDRTQE-UHFFFAOYSA-N -1 1 332.389 2.337 20 0 EEADMM c1cc(-c2nc(CCC3CCOCC3)no2)sc1-c1nn[n-]n1 ZINC001607112927 1351423462 /nfs/dbraw/zinc/42/34/62/1351423462.db2.gz FOJMXMBWDDRTQE-UHFFFAOYSA-N -1 1 332.389 2.337 20 0 EEADMM c1c(-c2nnn[n-]2)nc(C2CC2)nc1N1CCOC2(CCCCC2)C1 ZINC001607114212 1351424101 /nfs/dbraw/zinc/42/41/01/1351424101.db2.gz HSJJGRADFOZVPX-UHFFFAOYSA-N -1 1 341.419 2.074 20 0 EEADMM c1c(-c2nn[n-]n2)nc(C2CC2)nc1N1CCOC2(CCCCC2)C1 ZINC001607114212 1351424102 /nfs/dbraw/zinc/42/41/02/1351424102.db2.gz HSJJGRADFOZVPX-UHFFFAOYSA-N -1 1 341.419 2.074 20 0 EEADMM c1ccc2[nH]c([C@@H]3CCCCN3c3cc(-c4nnn[n-]4)ncn3)nc2c1 ZINC001607131046 1351432691 /nfs/dbraw/zinc/43/26/91/1351432691.db2.gz MHFAYBDNGFTSRV-AWEZNQCLSA-N -1 1 347.386 2.265 20 0 EEADMM c1ccc2[nH]c([C@@H]3CCCCN3c3cc(-c4nn[n-]n4)ncn3)nc2c1 ZINC001607131046 1351432695 /nfs/dbraw/zinc/43/26/95/1351432695.db2.gz MHFAYBDNGFTSRV-AWEZNQCLSA-N -1 1 347.386 2.265 20 0 EEADMM C[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC001607422110 1351492308 /nfs/dbraw/zinc/49/23/08/1351492308.db2.gz LRQIQENXDNTZQL-GFCCVEGCSA-N -1 1 330.384 2.407 20 0 EEADMM C[C@H]1CN(CCc2ccc(OC(F)(F)F)cc2)C[C@@H](C(=O)[O-])O1 ZINC001607478178 1351500129 /nfs/dbraw/zinc/50/01/29/1351500129.db2.gz YZESCDDDEIGFOH-GWCFXTLKSA-N -1 1 333.306 2.302 20 0 EEADMM Cc1ccc([C@@H](C)NCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC001607751729 1351552159 /nfs/dbraw/zinc/55/21/59/1351552159.db2.gz HUQPVIAYEADPQX-LLVKDONJSA-N -1 1 333.413 2.368 20 0 EEADMM Cc1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)c(C(=O)[O-])c1C ZINC001607800943 1351561518 /nfs/dbraw/zinc/56/15/18/1351561518.db2.gz TTZLFFPVAOYWTR-UHFFFAOYSA-N -1 1 345.399 2.329 20 0 EEADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCN(CC(=O)[O-])CC1 ZINC001607866403 1351574957 /nfs/dbraw/zinc/57/49/57/1351574957.db2.gz RDHXDZZFEBNEJE-CABCVRRESA-N -1 1 330.428 2.205 20 0 EEADMM Cc1ccncc1CN1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001607898160 1351581765 /nfs/dbraw/zinc/58/17/65/1351581765.db2.gz QMYYKPRSARYDAX-HNNXBMFYSA-N -1 1 349.431 2.286 20 0 EEADMM Nc1nc2c(c(N3CC[C@](C(=O)[O-])(c4ccccc4)C3)n1)CCCC2 ZINC001608276732 1351661845 /nfs/dbraw/zinc/66/18/45/1351661845.db2.gz KBTQYKPZBPDUIV-LJQANCHMSA-N -1 1 338.411 2.170 20 0 EEADMM O=C([O-])[C@H](NC(=O)c1cc(F)cc(F)c1O)c1ccc2c(c1)CCO2 ZINC001608385247 1351683030 /nfs/dbraw/zinc/68/30/30/1351683030.db2.gz AEALKYONGSNEJS-CQSZACIVSA-N -1 1 349.289 2.161 20 0 EEADMM O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)c(O)c1)Oc1ccccc1 ZINC001608455172 1351698887 /nfs/dbraw/zinc/69/88/87/1351698887.db2.gz FBYCOICXJBEVNY-CQSZACIVSA-N -1 1 335.743 2.308 20 0 EEADMM O=C([N-]NC(=O)c1cncn1-c1ccccc1)c1cc(F)ccc1F ZINC000022664276 1352363396 /nfs/dbraw/zinc/36/33/96/1352363396.db2.gz DSHKOMBQUGMJOR-UHFFFAOYSA-N -1 1 342.305 2.225 20 0 EEADMM CSc1ncc(C(=O)Nc2ccc3c(C)nn(C)c3c2)c(=O)[n-]1 ZINC001624714811 1352428400 /nfs/dbraw/zinc/42/84/00/1352428400.db2.gz BINNEZMPELBUPR-UHFFFAOYSA-N -1 1 329.385 2.352 20 0 EEADMM CSc1nc(CNC(=O)c2cc3nc(C)ccc3o2)cc(=O)[n-]1 ZINC001627727657 1352507838 /nfs/dbraw/zinc/50/78/38/1352507838.db2.gz JVOFIQILQHSOBJ-UHFFFAOYSA-N -1 1 330.369 2.284 20 0 EEADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@]1(O)CCc2ccccc2C1 ZINC001634381858 1352627083 /nfs/dbraw/zinc/62/70/83/1352627083.db2.gz PDPCHWKRICLHFO-HXUWFJFHSA-N -1 1 349.390 2.436 20 0 EEADMM Cc1c(C(=O)NCc2nc([O-])cc(=O)[nH]2)sc2cccc(F)c12 ZINC001642457038 1352731472 /nfs/dbraw/zinc/73/14/72/1352731472.db2.gz WKROXCYYKUAIBD-UHFFFAOYSA-N -1 1 333.344 2.480 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](C)Cc1ccncc1 ZINC001647098875 1353140503 /nfs/dbraw/zinc/14/05/03/1353140503.db2.gz JIJLWCXDUPBIAR-JTQLQIEISA-N -1 1 342.367 2.278 20 0 EEADMM Cc1ccccc1OCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001647293807 1353221079 /nfs/dbraw/zinc/22/10/79/1353221079.db2.gz SKFNTFPDTZBYGT-UHFFFAOYSA-N -1 1 331.372 2.259 20 0 EEADMM CC(C)n1ccnc1CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC001647414728 1353269198 /nfs/dbraw/zinc/26/91/98/1353269198.db2.gz XDAPRTHXVJKFLV-GFCCVEGCSA-N -1 1 325.409 2.129 20 0 EEADMM CSc1ccccc1C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC001647943947 1353410589 /nfs/dbraw/zinc/41/05/89/1353410589.db2.gz FEPHHWAWNSWCHQ-CQSZACIVSA-N -1 1 325.397 2.441 20 0 EEADMM CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCSC[C@H]1C ZINC001650312038 1353843205 /nfs/dbraw/zinc/84/32/05/1353843205.db2.gz LNETUNKHVJUXMX-SNVBAGLBSA-N -1 1 346.460 2.280 20 0 EEADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC001651044620 1354037532 /nfs/dbraw/zinc/03/75/32/1354037532.db2.gz QXLZUCRHHDLEPF-GFCCVEGCSA-N -1 1 336.351 2.260 20 0 EEADMM CC(C)n1cc(Cl)c([N-]C(=O)c2nc(-c3cnccn3)no2)n1 ZINC001652167652 1354079945 /nfs/dbraw/zinc/07/99/45/1354079945.db2.gz UOAFLRRQHPDERQ-UHFFFAOYSA-N -1 1 333.739 2.210 20 0 EEADMM CCn1ccc(CC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)n1 ZINC001654506275 1354150245 /nfs/dbraw/zinc/15/02/45/1354150245.db2.gz IKHKWSACPMASAU-UHFFFAOYSA-N -1 1 346.778 2.228 20 0 EEADMM CCn1ccc(CC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)n1 ZINC001654506275 1354150247 /nfs/dbraw/zinc/15/02/47/1354150247.db2.gz IKHKWSACPMASAU-UHFFFAOYSA-N -1 1 346.778 2.228 20 0 EEADMM CNC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000077707250 1354659737 /nfs/dbraw/zinc/65/97/37/1354659737.db2.gz RNCHGJOTHRJTCE-UHFFFAOYSA-N -1 1 348.424 2.093 20 0 EEADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000104313505 1358349694 /nfs/dbraw/zinc/34/96/94/1358349694.db2.gz BPCKFSSFSSDMLP-UHFFFAOYSA-N -1 1 340.240 2.401 20 0 EEADMM CC[C@H](C)C(=O)N[C@H](C)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001388711466 1387665225 /nfs/dbraw/zinc/66/52/25/1387665225.db2.gz WOAYJFKPZHIUGB-QWHCGFSZSA-N -1 1 333.432 2.190 20 0 EEADMM Cc1sccc1CC(=O)Nc1ccc(OCc2nn[n-]n2)cc1 ZINC000345925798 1368138212 /nfs/dbraw/zinc/13/82/12/1368138212.db2.gz HYENXXIFSOIXNZ-UHFFFAOYSA-N -1 1 329.385 2.330 20 0 EEADMM CSc1cc(C(=O)Nc2ccc(OCc3nn[n-]n3)cc2)ccn1 ZINC000346118808 1368138436 /nfs/dbraw/zinc/13/84/36/1368138436.db2.gz HRRJRQMVTARCTA-UHFFFAOYSA-N -1 1 342.384 2.148 20 0 EEADMM COC(=O)c1cc(O)c(OC)cc1NC(=O)c1ccc([O-])cc1F ZINC001186328442 1368195697 /nfs/dbraw/zinc/19/56/97/1368195697.db2.gz CADNEDBGYNJGLI-UHFFFAOYSA-N -1 1 335.287 2.284 20 0 EEADMM O=C(c1cc([O-])cnc1Cl)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001195305568 1368515735 /nfs/dbraw/zinc/51/57/35/1368515735.db2.gz LRYLOKYFBHNTKV-INIZCTEOSA-N -1 1 343.814 2.496 20 0 EEADMM Cc1cc([O-])c(C(=O)N[C@@H]2C[C@H]2F)cc1I ZINC001196137034 1368584145 /nfs/dbraw/zinc/58/41/45/1368584145.db2.gz AWFVPSKDNKLQPQ-VXNVDRBHSA-N -1 1 335.116 2.145 20 0 EEADMM O=S(=O)([N-]CC1(CO)CCCC1)c1cc(Cl)cnc1Cl ZINC000867120700 1368558786 /nfs/dbraw/zinc/55/87/86/1368558786.db2.gz UOQXMUOCTFONKM-UHFFFAOYSA-N -1 1 339.244 2.219 20 0 EEADMM CC1=NO[C@H](C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000867347351 1368714099 /nfs/dbraw/zinc/71/40/99/1368714099.db2.gz YVYSUDCHBIPLNM-LURJTMIESA-N -1 1 329.230 2.498 20 0 EEADMM O=C(Nc1ccccc1Br)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001201982778 1368863427 /nfs/dbraw/zinc/86/34/27/1368863427.db2.gz BZBLQVXGFUPDFJ-UHFFFAOYSA-N -1 1 349.148 2.465 20 0 EEADMM CCCc1ccc(C(=O)N[C@H](C)CNC(=O)c2ncccc2[O-])cc1 ZINC001389260352 1387997713 /nfs/dbraw/zinc/99/77/13/1387997713.db2.gz QZRQBXIHDAQUOI-CYBMUJFWSA-N -1 1 341.411 2.288 20 0 EEADMM COCCN(CC(=O)Nc1cccc(F)c1[O-])C(=O)OC(C)(C)C ZINC000863010326 1369555272 /nfs/dbraw/zinc/55/52/72/1369555272.db2.gz SDWNIQNTMPMRRG-UHFFFAOYSA-N -1 1 342.367 2.353 20 0 EEADMM O=C([C@@H](Cc1cccnc1)C1CCCC1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000900389118 1369923046 /nfs/dbraw/zinc/92/30/46/1369923046.db2.gz OGKIECTWCFKFRM-JKSUJKDBSA-N -1 1 340.431 2.307 20 0 EEADMM C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000388529289 1370262406 /nfs/dbraw/zinc/26/24/06/1370262406.db2.gz AEWNBYXHUDDAMX-VIFPVBQESA-N -1 1 328.321 2.236 20 0 EEADMM CC1(CCC(=O)N2CC3(C2)CCN(C(=O)c2ncccc2[O-])C3)CC1 ZINC001413737300 1370837092 /nfs/dbraw/zinc/83/70/92/1370837092.db2.gz LNQJIQMNHWBMFY-UHFFFAOYSA-N -1 1 343.427 2.042 20 0 EEADMM CC(C)=C(F)C(=O)N[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1C ZINC001073879581 1370922929 /nfs/dbraw/zinc/92/29/29/1370922929.db2.gz STWROGDUMVQNOZ-VXGBXAGGSA-N -1 1 335.379 2.017 20 0 EEADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(N)=O)CC3)cc1 ZINC000782533322 1371308491 /nfs/dbraw/zinc/30/84/91/1371308491.db2.gz HQWAUSHASNPWGB-UHFFFAOYSA-N -1 1 345.424 2.491 20 0 EEADMM O=S(=O)([N-][C@@H]1CCO[C@H](c2ccccc2)C1)c1c[nH]nc1Cl ZINC000831116064 1372363643 /nfs/dbraw/zinc/36/36/43/1372363643.db2.gz UYRCNRZXMAAXSV-NEPJUHHUSA-N -1 1 341.820 2.262 20 0 EEADMM CCO[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccccc1 ZINC000831299962 1372372406 /nfs/dbraw/zinc/37/24/06/1372372406.db2.gz WMABYRZEERECPW-NSHDSACASA-N -1 1 329.809 2.119 20 0 EEADMM Cn1ccnc1[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCO1 ZINC000837180728 1372772519 /nfs/dbraw/zinc/77/25/19/1372772519.db2.gz KSCRMXDACQYXPN-ZWNOBZJWSA-N -1 1 335.791 2.429 20 0 EEADMM CO[C@@H]1CCC[C@H]1OC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000839109338 1372894660 /nfs/dbraw/zinc/89/46/60/1372894660.db2.gz ANFOICOQKNQRTC-VXGBXAGGSA-N -1 1 326.418 2.256 20 0 EEADMM CCOC(=O)C[C@](C)(NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC001362377339 1373398826 /nfs/dbraw/zinc/39/88/26/1373398826.db2.gz OGCVODMJPGMCON-KRWDZBQOSA-N -1 1 335.404 2.157 20 0 EEADMM COC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(O)cc1 ZINC001362459114 1373414944 /nfs/dbraw/zinc/41/49/44/1373414944.db2.gz IAYXWZXDKFSECK-AWEZNQCLSA-N -1 1 335.743 2.395 20 0 EEADMM CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001362568859 1373432649 /nfs/dbraw/zinc/43/26/49/1373432649.db2.gz KJTMMTAQAKATFY-HNNXBMFYSA-N -1 1 346.814 2.062 20 0 EEADMM O=C(NC[C@@H](O)c1ccccc1Br)c1cncc([O-])c1 ZINC001362733777 1373457989 /nfs/dbraw/zinc/45/79/89/1373457989.db2.gz BREQZEXKJVTHNZ-CYBMUJFWSA-N -1 1 337.173 2.013 20 0 EEADMM COc1c(F)ccc(F)c1C(=O)NCc1cc(=O)[n-]c(SC)n1 ZINC001362963019 1373473160 /nfs/dbraw/zinc/47/31/60/1373473160.db2.gz WDABAPJGUASAEU-UHFFFAOYSA-N -1 1 341.339 2.121 20 0 EEADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1S(C)(=O)=O ZINC001363453210 1373520094 /nfs/dbraw/zinc/52/00/94/1373520094.db2.gz JZRUVVZIZSLBNB-UHFFFAOYSA-N -1 1 339.344 2.196 20 0 EEADMM COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1S(C)(=O)=O ZINC001363454255 1373520358 /nfs/dbraw/zinc/52/03/58/1373520358.db2.gz KSHBQCZRBMBXKK-UHFFFAOYSA-N -1 1 339.344 2.196 20 0 EEADMM O=S(=O)([N-][C@H](CO)c1ccc(F)cc1F)c1cccc(F)c1F ZINC001364038303 1373575505 /nfs/dbraw/zinc/57/55/05/1373575505.db2.gz PFHZVSRJORQMNB-GFCCVEGCSA-N -1 1 349.305 2.255 20 0 EEADMM CCCC[C@H](CNC(=O)c1ccco1)NC(=O)c1ncccc1[O-] ZINC001370062724 1374777809 /nfs/dbraw/zinc/77/78/09/1374777809.db2.gz PQDKKJNLRLACPF-GFCCVEGCSA-N -1 1 331.372 2.099 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@@H](CNC(=O)c1cccs1)C1CC1 ZINC001370392689 1374915085 /nfs/dbraw/zinc/91/50/85/1374915085.db2.gz DOEOQYSQCQILOL-LBPRGKRZSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@H](CC(=O)NCC1CCN(C(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001372152891 1375814259 /nfs/dbraw/zinc/81/42/59/1375814259.db2.gz XSUWAJWFKLYBFE-CYBMUJFWSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](C(=O)N1CCC(CCNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001375413917 1377710313 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O=C([O-])c1cc(Nc2ccc(N3CCN(CCO)CC3)cc2)cs1 ZINC001176439047 798451009 /nfs/dbraw/zinc/45/10/09/798451009.db2.gz HVPZQGJTYIDDBO-UHFFFAOYSA-N -1 1 347.440 2.304 20 0 EEADMM Cc1cnc(C)nc1NC[C@@]1(C)CCN(C(=O)c2ncccc2[O-])C1 ZINC001065413956 799025987 /nfs/dbraw/zinc/02/59/87/799025987.db2.gz RBJFSWNHJNXBJQ-GOSISDBHSA-N -1 1 341.415 2.158 20 0 EEADMM CCCC(=O)N1CC[C@H]([C@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC001003165323 799329853 /nfs/dbraw/zinc/32/98/53/799329853.db2.gz YIOBOAFDXLUJGI-GJZGRUSLSA-N -1 1 345.443 2.288 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccon3)cc2)o1 ZINC001178642245 799577756 /nfs/dbraw/zinc/57/77/56/799577756.db2.gz PRNCMDWRRFZROT-UHFFFAOYSA-N -1 1 347.352 2.095 20 0 EEADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc2nonc2c1 ZINC001180155925 800297909 /nfs/dbraw/zinc/29/79/09/800297909.db2.gz VVVVHHOUAQOQPO-UHFFFAOYSA-N -1 1 327.344 2.080 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C1OCCO1 ZINC000888437403 800396240 /nfs/dbraw/zinc/39/62/40/800396240.db2.gz 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CN(C(=O)c1ncccc1[O-])C1CCC(NC(=O)[C@@H]2CC23CC3)CC1 ZINC001004076888 800920250 /nfs/dbraw/zinc/92/02/50/800920250.db2.gz MDAUGVDTLYLJEP-RUXDESIVSA-N -1 1 343.427 2.087 20 0 EEADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NC[C@H]2CC(=O)N(C)C2)cc1 ZINC001168727762 801232644 /nfs/dbraw/zinc/23/26/44/801232644.db2.gz NJVSTAXUXOXOHE-WDEREUQCSA-N -1 1 343.349 2.316 20 0 EEADMM CCOC(=O)c1cnc(NC(=O)CCC(=O)OCc2ccccc2)[n-]1 ZINC001182771235 801344577 /nfs/dbraw/zinc/34/45/77/801344577.db2.gz HBQGIJKDSIDFIX-UHFFFAOYSA-N -1 1 345.355 2.049 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)CCC(=O)OCc2ccccc2)n1 ZINC001182771235 801344587 /nfs/dbraw/zinc/34/45/87/801344587.db2.gz HBQGIJKDSIDFIX-UHFFFAOYSA-N -1 1 345.355 2.049 20 0 EEADMM Cc1c[nH]cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)c1=O ZINC001183251645 801538267 /nfs/dbraw/zinc/53/82/67/801538267.db2.gz WGCBIWSQODTLPX-UHFFFAOYSA-N -1 1 345.746 2.080 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)c1cccs1 ZINC001004440218 802048740 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ZINC000074253978 462575102 /nfs/dbraw/zinc/57/51/02/462575102.db2.gz AKJKFSVVCBTOQO-UHFFFAOYSA-N -1 1 328.303 2.032 20 0 EEADMM O=S(=O)([N-][C@@H]1COc2ccccc2C1)c1cc(F)ccc1F ZINC000045814447 462621045 /nfs/dbraw/zinc/62/10/45/462621045.db2.gz LOCWJVRNGGFAKK-LBPRGKRZSA-N -1 1 325.336 2.247 20 0 EEADMM COC[C@@H]([N-]S(=O)(=O)c1cn(C(C)C)cn1)c1ccc(C)o1 ZINC000153744941 462686621 /nfs/dbraw/zinc/68/66/21/462686621.db2.gz JOKTXINHAKBVOQ-GFCCVEGCSA-N -1 1 327.406 2.031 20 0 EEADMM Cc1nc(CNC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)cs1 ZINC000064355160 462698672 /nfs/dbraw/zinc/69/86/72/462698672.db2.gz AHEYKFSFFSPHHW-UHFFFAOYSA-N -1 1 345.428 2.066 20 0 EEADMM COc1cc2nc(-c3cccc(-n4cccn4)n3)[n-]c(=O)c2cc1OC ZINC000129396078 462705552 /nfs/dbraw/zinc/70/55/52/462705552.db2.gz GMQUWNCQOKXHHR-UHFFFAOYSA-N -1 1 349.350 2.188 20 0 EEADMM COC(=O)C1([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCCC1 ZINC000130372555 462753191 /nfs/dbraw/zinc/75/31/91/462753191.db2.gz BLDJVZCXXMJISJ-UHFFFAOYSA-N -1 1 349.811 2.384 20 0 EEADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c(C)c1 ZINC000047328523 462769770 /nfs/dbraw/zinc/76/97/70/462769770.db2.gz HXTUOPGPFBJORX-UHFFFAOYSA-N -1 1 343.412 2.388 20 0 EEADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1c(F)cc(F)cc1F ZINC000130776846 462775363 /nfs/dbraw/zinc/77/53/63/462775363.db2.gz VTSMYVCHOGAPIV-UHFFFAOYSA-N -1 1 328.275 2.176 20 0 EEADMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1c(F)cc(F)cc1F ZINC000130776846 462775370 /nfs/dbraw/zinc/77/53/70/462775370.db2.gz VTSMYVCHOGAPIV-UHFFFAOYSA-N -1 1 328.275 2.176 20 0 EEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000154504246 462776388 /nfs/dbraw/zinc/77/63/88/462776388.db2.gz GAIBJQCTNMPNOZ-UHFFFAOYSA-N -1 1 343.412 2.469 20 0 EEADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154510209 462777991 /nfs/dbraw/zinc/77/79/91/462777991.db2.gz ZRSMOLPHRCADKK-UHFFFAOYSA-N -1 1 329.385 2.161 20 0 EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119349468 462891945 /nfs/dbraw/zinc/89/19/45/462891945.db2.gz FXPHLXKDBCYIIL-AWEZNQCLSA-N -1 1 338.367 2.100 20 0 EEADMM O=C(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155525911 462902874 /nfs/dbraw/zinc/90/28/74/462902874.db2.gz QNMXQNXIQHWXRP-MRVPVSSYSA-N -1 1 343.284 2.377 20 0 EEADMM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155592728 462914142 /nfs/dbraw/zinc/91/41/42/462914142.db2.gz SXUFMIBCZCRGTM-WCQYABFASA-N -1 1 333.823 2.438 20 0 EEADMM O=C(Nc1nnc(C2CC2)s1)c1cc(N2CC[NH+]=C2[O-])ccc1F ZINC000156525587 463036101 /nfs/dbraw/zinc/03/61/01/463036101.db2.gz KSZJPYLEYHBXQN-UHFFFAOYSA-N -1 1 347.375 2.337 20 0 EEADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)cc1F ZINC000121692802 463179305 /nfs/dbraw/zinc/17/93/05/463179305.db2.gz QRRINTJGFCCHMP-UHFFFAOYSA-N -1 1 328.340 2.081 20 0 EEADMM CCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)c1 ZINC000027070434 463180228 /nfs/dbraw/zinc/18/02/28/463180228.db2.gz CNVHPUXHFHLPKP-UHFFFAOYSA-N -1 1 338.385 2.229 20 0 EEADMM Cc1ccc(-n2cc(C(=O)Nc3nc(-c4ccco4)n[nH]3)nn2)cc1 ZINC000121757912 463190835 /nfs/dbraw/zinc/19/08/35/463190835.db2.gz RSSPHYVMWBIGKF-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000054294726 463224888 /nfs/dbraw/zinc/22/48/88/463224888.db2.gz AKUWYTJYSKIMAX-UHFFFAOYSA-N -1 1 339.344 2.262 20 0 EEADMM CC(NC1CCCCCC1)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000054503611 463239630 /nfs/dbraw/zinc/23/96/30/463239630.db2.gz NPPULRGXDUXAQC-OWBHPGMISA-N -1 1 337.489 2.472 20 0 EEADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3C)C2)o1 ZINC000069529549 463270256 /nfs/dbraw/zinc/27/02/56/463270256.db2.gz GJERLZDTTVDLOV-ZDUSSCGKSA-N -1 1 348.424 2.126 20 0 EEADMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1n[n-]c(=S)n1C ZINC000080026458 463274082 /nfs/dbraw/zinc/27/40/82/463274082.db2.gz KCLKMOOUAXEMFS-SRVKXCTJSA-N -1 1 326.466 2.468 20 0 EEADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000122624035 463279436 /nfs/dbraw/zinc/27/94/36/463279436.db2.gz BYQDMTWABUMPKX-UHFFFAOYSA-N -1 1 342.277 2.362 20 0 EEADMM CCOC(=O)CCCNC(=O)c1cc(Br)ccc1[O-] ZINC000030594591 463305567 /nfs/dbraw/zinc/30/55/67/463305567.db2.gz LJYVPZVEPOKZQY-UHFFFAOYSA-N -1 1 330.178 2.228 20 0 EEADMM Cc1cccc(CNC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000056603982 463412645 /nfs/dbraw/zinc/41/26/45/463412645.db2.gz PRMPMEJVROPARP-UHFFFAOYSA-N -1 1 348.406 2.308 20 0 EEADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](O)C1CCCCC1 ZINC000150779884 463426186 /nfs/dbraw/zinc/42/61/86/463426186.db2.gz QHHHLIBJCCMCMH-CYBMUJFWSA-N -1 1 335.448 2.047 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000104865794 463426801 /nfs/dbraw/zinc/42/68/01/463426801.db2.gz PEMFYQIBIDUDGN-SMDDNHRTSA-N -1 1 330.432 2.124 20 0 EEADMM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1OC ZINC000072301030 463506319 /nfs/dbraw/zinc/50/63/19/463506319.db2.gz DTPUUJFCIWRZLF-UHFFFAOYSA-N -1 1 327.333 2.349 20 0 EEADMM CCc1cccc(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000151430395 463530319 /nfs/dbraw/zinc/53/03/19/463530319.db2.gz HLMHEIZCWZFDLC-UHFFFAOYSA-N -1 1 338.367 2.455 20 0 EEADMM O=S(=O)([N-][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)c(F)c1F ZINC000162833202 463542837 /nfs/dbraw/zinc/54/28/37/463542837.db2.gz SCCUIGQFKCVMRD-KOLCDFICSA-N -1 1 335.347 2.340 20 0 EEADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)n[nH]1 ZINC000162942616 463550885 /nfs/dbraw/zinc/55/08/85/463550885.db2.gz SEMYLTRXNZYUBL-SECBINFHSA-N -1 1 341.389 2.494 20 0 EEADMM Cn1cc([N-]S(=O)(=O)c2sccc2Br)ccc1=O ZINC000042415456 463564062 /nfs/dbraw/zinc/56/40/62/463564062.db2.gz LKXOJSIIAJMKGI-UHFFFAOYSA-N -1 1 349.231 2.010 20 0 EEADMM O=C([O-])[C@@H]1CCN(Cc2ccc(I)cc2)C1 ZINC000083850152 463564386 /nfs/dbraw/zinc/56/43/86/463564386.db2.gz NWWWRBCMAODNMU-SNVBAGLBSA-N -1 1 331.153 2.198 20 0 EEADMM CC[C@@H]1C[C@H](C)CN1C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000073328728 463604818 /nfs/dbraw/zinc/60/48/18/463604818.db2.gz RUMOZXXJILUMIJ-SWLSCSKDSA-N -1 1 340.427 2.330 20 0 EEADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(C)C)CC2)co1 ZINC000151969002 463622921 /nfs/dbraw/zinc/62/29/21/463622921.db2.gz DJGNMNNNDBDXCO-GFCCVEGCSA-N -1 1 328.434 2.086 20 0 EEADMM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(Cl)cc1 ZINC000044895051 463699390 /nfs/dbraw/zinc/69/93/90/463699390.db2.gz LXYDCJSBQPRTRK-UHFFFAOYSA-N -1 1 335.776 2.117 20 0 EEADMM CCc1nc(S(=O)(=O)[C@@H](C)c2nccn2-c2ccccc2)n[n-]1 ZINC000286806258 463710943 /nfs/dbraw/zinc/71/09/43/463710943.db2.gz KUOLBWOQGTWIGO-NSHDSACASA-N -1 1 331.401 2.088 20 0 EEADMM Cc1cccc(OCCN(C)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)c1 ZINC000287001224 463768667 /nfs/dbraw/zinc/76/86/67/463768667.db2.gz BFERWAFHOROHMB-PGMHBOJBSA-N -1 1 339.399 2.193 20 0 EEADMM CCOC(=O)[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000171074052 463776284 /nfs/dbraw/zinc/77/62/84/463776284.db2.gz FMKXLSDQXMFOCZ-HNNXBMFYSA-N -1 1 331.368 2.416 20 0 EEADMM COc1ccc(NC(=O)c2[nH]c(C)cc2C)cc1[N-]S(C)(=O)=O ZINC000177833688 463802377 /nfs/dbraw/zinc/80/23/77/463802377.db2.gz NFARTKPDEZBSKG-UHFFFAOYSA-N -1 1 337.401 2.264 20 0 EEADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2)c1 ZINC000194290079 463828667 /nfs/dbraw/zinc/82/86/67/463828667.db2.gz APQVINHOUANAKG-UHFFFAOYSA-N -1 1 346.408 2.440 20 0 EEADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000269071360 463865822 /nfs/dbraw/zinc/86/58/22/463865822.db2.gz SXXUIWWTQKQBQC-CYBMUJFWSA-N -1 1 343.358 2.417 20 0 EEADMM CCCCCC(=O)NC1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000287382747 463885340 /nfs/dbraw/zinc/88/53/40/463885340.db2.gz OTBBVMONUKQUGG-UHFFFAOYSA-N -1 1 346.427 2.262 20 0 EEADMM COC[C@@H](C)CNC(=O)c1cc(I)ccc1[O-] ZINC000194654660 463904319 /nfs/dbraw/zinc/90/43/19/463904319.db2.gz VPRPGTOLVXRFKJ-QMMMGPOBSA-N -1 1 349.168 2.009 20 0 EEADMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1ncccc1[O-] ZINC000277324359 463909870 /nfs/dbraw/zinc/90/98/70/463909870.db2.gz AGIMBRTXNMAIFE-NWDGAFQWSA-N -1 1 335.404 2.163 20 0 EEADMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C1(C)C ZINC000342990400 465437198 /nfs/dbraw/zinc/43/71/98/465437198.db2.gz QQPBPDORZIJJJR-HYJLZEBJSA-N -1 1 337.363 2.442 20 0 EEADMM C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000178902178 464008252 /nfs/dbraw/zinc/00/82/52/464008252.db2.gz LFCVWPMRNVXYOP-DYEKYZERSA-N -1 1 330.384 2.405 20 0 EEADMM C[C@@H](NC(=O)[C@H](C)N1CC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000178902178 464008257 /nfs/dbraw/zinc/00/82/57/464008257.db2.gz LFCVWPMRNVXYOP-DYEKYZERSA-N -1 1 330.384 2.405 20 0 EEADMM CCCc1nc(CS(=O)(=O)c2nnc(C(C)(C)C)[n-]2)cs1 ZINC000195170115 464010899 /nfs/dbraw/zinc/01/08/99/464010899.db2.gz CESDOADCBYGLLF-UHFFFAOYSA-N -1 1 328.463 2.485 20 0 EEADMM CCCc1nc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)cs1 ZINC000195170115 464010903 /nfs/dbraw/zinc/01/09/03/464010903.db2.gz CESDOADCBYGLLF-UHFFFAOYSA-N -1 1 328.463 2.485 20 0 EEADMM CCCc1nc(CS(=O)(=O)c2n[n-]c(C(C)(C)C)n2)cs1 ZINC000195170115 464010910 /nfs/dbraw/zinc/01/09/10/464010910.db2.gz CESDOADCBYGLLF-UHFFFAOYSA-N -1 1 328.463 2.485 20 0 EEADMM CNC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 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CCOc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736655828 578216713 /nfs/dbraw/zinc/21/67/13/578216713.db2.gz VBCPDWUKANQGII-NSHDSACASA-N -1 1 338.371 2.151 20 0 EEADMM CCc1nn(Cc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707005 578219070 /nfs/dbraw/zinc/21/90/70/578219070.db2.gz OHWRJNIJAMWRHR-UHFFFAOYSA-N -1 1 344.806 2.250 20 0 EEADMM CCn1c(CCNc2cccc(-c3nnn[n-]3)n2)nc2ccccc21 ZINC000736719938 578220022 /nfs/dbraw/zinc/22/00/22/578220022.db2.gz GFGNCIMMYOHNOF-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM CCn1c(CCNc2cccc(-c3nn[n-]n3)n2)nc2ccccc21 ZINC000736719938 578220023 /nfs/dbraw/zinc/22/00/23/578220023.db2.gz GFGNCIMMYOHNOF-UHFFFAOYSA-N -1 1 334.387 2.286 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737100093 578238031 /nfs/dbraw/zinc/23/80/31/578238031.db2.gz SFOPZNHWWCIYIH-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737100093 578238032 /nfs/dbraw/zinc/23/80/32/578238032.db2.gz SFOPZNHWWCIYIH-UHFFFAOYSA-N -1 1 330.735 2.176 20 0 EEADMM CSc1[nH]c(=O)c(C(=O)N2CCCCC[C@@H]2C)cc1-c1nn[n-]n1 ZINC000737186062 578242784 /nfs/dbraw/zinc/24/27/84/578242784.db2.gz FMRQPOXWZOHQPE-VIFPVBQESA-N -1 1 348.432 2.094 20 0 EEADMM CNC(=O)c1cccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000737550810 578263867 /nfs/dbraw/zinc/26/38/67/578263867.db2.gz OSMIJOMQJQNBKH-UHFFFAOYSA-N -1 1 348.349 2.411 20 0 EEADMM COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000738016135 578276528 /nfs/dbraw/zinc/27/65/28/578276528.db2.gz NYHVJYBMOJKBSK-VHSXEESVSA-N -1 1 328.796 2.328 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820281970 599064904 /nfs/dbraw/zinc/06/49/04/599064904.db2.gz ZVPXCVOAYSOSNS-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820281970 599064906 /nfs/dbraw/zinc/06/49/06/599064906.db2.gz ZVPXCVOAYSOSNS-VIFPVBQESA-N -1 1 331.767 2.190 20 0 EEADMM O[C@H](C[C@@H]1CCCN1c1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000823673407 599106213 /nfs/dbraw/zinc/10/62/13/599106213.db2.gz LUJFNLKLNNMOQA-GOEBONIOSA-N -1 1 336.399 2.354 20 0 EEADMM O[C@H](C[C@@H]1CCCN1c1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000823673407 599106215 /nfs/dbraw/zinc/10/62/15/599106215.db2.gz LUJFNLKLNNMOQA-GOEBONIOSA-N -1 1 336.399 2.354 20 0 EEADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc(N2CCOCC2)cc1 ZINC000823756787 607308796 /nfs/dbraw/zinc/30/87/96/607308796.db2.gz HUNCKCDSHVZZJQ-UHFFFAOYSA-N -1 1 342.428 2.377 20 0 EEADMM O=C1OCCN1c1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823551271 607310291 /nfs/dbraw/zinc/31/02/91/607310291.db2.gz LKFLVZGYTKNRJK-UHFFFAOYSA-N -1 1 342.384 2.497 20 0 EEADMM Cc1cc(NS(=O)(=O)c2cccc3ncccc32)c(C(=O)[O-])[nH]1 ZINC000391320476 600254983 /nfs/dbraw/zinc/25/49/83/600254983.db2.gz FMNKLJOEJQTGGC-UHFFFAOYSA-N -1 1 331.353 2.370 20 0 EEADMM CC(C)C[C@H](C)N(C)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824228332 607865806 /nfs/dbraw/zinc/86/58/06/607865806.db2.gz HMMHSCUGDRWGFA-NSHDSACASA-N -1 1 335.383 2.278 20 0 EEADMM CC(C)C[C@H](C)N(C)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824228332 607865807 /nfs/dbraw/zinc/86/58/07/607865807.db2.gz HMMHSCUGDRWGFA-NSHDSACASA-N -1 1 335.383 2.278 20 0 EEADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)Nc1ccc3c(c1)CCC3)CC2 ZINC000405311322 600303547 /nfs/dbraw/zinc/30/35/47/600303547.db2.gz DTTYDBHCGAUHLX-INIZCTEOSA-N -1 1 328.412 2.301 20 0 EEADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1Cl ZINC000316138639 600576096 /nfs/dbraw/zinc/57/60/96/600576096.db2.gz FYDPCCYKGWVFFX-UHFFFAOYSA-N -1 1 342.760 2.243 20 0 EEADMM O=C([O-])CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CCOCC1 ZINC000823866905 600966379 /nfs/dbraw/zinc/96/63/79/600966379.db2.gz TYXYSYDEZJCVJV-UHFFFAOYSA-N -1 1 343.383 2.173 20 0 EEADMM CC[C@@H](C)[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC000828720338 600994304 /nfs/dbraw/zinc/99/43/04/600994304.db2.gz WHBGEHDPGNZIBY-MLGOLLRUSA-N -1 1 336.407 2.410 20 0 EEADMM CN(CCNC(=O)c1ccc(C(=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000830785527 601147791 /nfs/dbraw/zinc/14/77/91/601147791.db2.gz XRGDNYSMFMCIFZ-UHFFFAOYSA-N -1 1 330.359 2.386 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000833181933 601186989 /nfs/dbraw/zinc/18/69/89/601186989.db2.gz UTRHVVTYFJGXLW-PHDIDXHHSA-N -1 1 334.553 2.467 20 0 EEADMM Cc1ccc([C@H](CNC(=O)c2ccnc(C(=O)[O-])c2)N2CCCC2)o1 ZINC000832924660 601246040 /nfs/dbraw/zinc/24/60/40/601246040.db2.gz XPADVVJPVJSPKS-HNNXBMFYSA-N -1 1 343.383 2.248 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)c2ccc(F)cc2O1 ZINC000824994540 607505343 /nfs/dbraw/zinc/50/53/43/607505343.db2.gz VFFOOUCVKBBGEP-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@@H]1CN(Cc2ccnc(-c3nn[n-]n3)c2)c2ccc(F)cc2O1 ZINC000824994540 607505345 /nfs/dbraw/zinc/50/53/45/607505345.db2.gz VFFOOUCVKBBGEP-SNVBAGLBSA-N -1 1 326.335 2.188 20 0 EEADMM C[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000828441922 601515996 /nfs/dbraw/zinc/51/59/96/601515996.db2.gz VMEPPACFQNDXSK-JOYOIKCWSA-N -1 1 330.306 2.296 20 0 EEADMM C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828421491 601533790 /nfs/dbraw/zinc/53/37/90/601533790.db2.gz GEBFVZZQNBEWKX-OUAUKWLOSA-N -1 1 342.342 2.268 20 0 EEADMM C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)C[C@H]1C(=O)[O-] ZINC000828355533 601801856 /nfs/dbraw/zinc/80/18/56/601801856.db2.gz YHWKTJPVWIAQKY-RBSFLKMASA-N -1 1 349.431 2.169 20 0 EEADMM COCc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831821657 601857883 /nfs/dbraw/zinc/85/78/83/601857883.db2.gz CSMWLHQNQJPDAS-UHFFFAOYSA-N -1 1 339.344 2.471 20 0 EEADMM O=C([O-])[C@H](CNC(=O)[C@H]1CCCc2[nH]ncc21)Cc1cccc(F)c1 ZINC000833163023 602029209 /nfs/dbraw/zinc/02/92/09/602029209.db2.gz GLKKTVUPMSWNKN-JSGCOSHPSA-N -1 1 345.374 2.028 20 0 EEADMM COc1ccc([C@@H](CNC(=O)[C@H](C)CC(=O)[O-])N2CCCCC2)cc1 ZINC000832240333 602072458 /nfs/dbraw/zinc/07/24/58/602072458.db2.gz BNUYMODHNXXGEV-RHSMWYFYSA-N -1 1 348.443 2.449 20 0 EEADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1C[C@@H]2CCC[C@H]21 ZINC000830901782 602207515 /nfs/dbraw/zinc/20/75/15/602207515.db2.gz LYOQIGQHYPAXQE-JJRVBVJISA-N -1 1 341.411 2.206 20 0 EEADMM CCC(CC)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825107610 607608161 /nfs/dbraw/zinc/60/81/61/607608161.db2.gz RKYPEWCEHXTDBH-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM CCC(CC)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825107610 607608163 /nfs/dbraw/zinc/60/81/63/607608163.db2.gz RKYPEWCEHXTDBH-UHFFFAOYSA-N -1 1 343.840 2.235 20 0 EEADMM Cc1c([C@H](C)N[C@H]2CCCN(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000829858836 604330971 /nfs/dbraw/zinc/33/09/71/604330971.db2.gz FMLALCFWYIAKKT-JSGCOSHPSA-N -1 1 329.404 2.369 20 0 EEADMM CN(C)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000830582003 604520352 /nfs/dbraw/zinc/52/03/52/604520352.db2.gz UZRDQGYBXXUUEP-HUUCEWRRSA-N -1 1 337.395 2.077 20 0 EEADMM COc1cccc(-c2cc(C(=O)N3CCC[C@H]3CC(=O)[O-])n[nH]2)c1 ZINC000832510131 604575287 /nfs/dbraw/zinc/57/52/87/604575287.db2.gz BKRRNKKSKIKEMA-LBPRGKRZSA-N -1 1 329.356 2.165 20 0 EEADMM CCc1nc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n[nH]1 ZINC000833674708 605019984 /nfs/dbraw/zinc/01/99/84/605019984.db2.gz VAGVTNBPNWMHTI-ZETCQYMHSA-N -1 1 336.327 2.479 20 0 EEADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833633745 605052716 /nfs/dbraw/zinc/05/27/16/605052716.db2.gz ZTXUNNGIKHICCA-HBUWYVDXSA-N -1 1 345.443 2.110 20 0 EEADMM CC(C)CC(C)(C)CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833474623 605054493 /nfs/dbraw/zinc/05/44/93/605054493.db2.gz RIYSZKMRDOMZME-AWEZNQCLSA-N -1 1 327.469 2.249 20 0 EEADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000833625025 605112122 /nfs/dbraw/zinc/11/21/22/605112122.db2.gz VRLLCTWTDRTHJS-YOEHRIQHSA-N -1 1 330.428 2.114 20 0 EEADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000833620656 605168449 /nfs/dbraw/zinc/16/84/49/605168449.db2.gz LWBDKTFXZPEWMJ-FOIQADDNSA-N -1 1 344.455 2.189 20 0 EEADMM C[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccccc1F ZINC000833512930 605280458 /nfs/dbraw/zinc/28/04/58/605280458.db2.gz CARRYTIKJOLUDG-ZIAGYGMSSA-N -1 1 336.407 2.327 20 0 EEADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(CCc3cccs3)CC2)O1 ZINC000833580721 605323070 /nfs/dbraw/zinc/32/30/70/605323070.db2.gz RRNWPKAVDZQQAR-CQSZACIVSA-N -1 1 336.457 2.056 20 0 EEADMM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000824212089 605758856 /nfs/dbraw/zinc/75/88/56/605758856.db2.gz YIVSIZOTMJMIMO-ZDUSSCGKSA-N -1 1 336.367 2.043 20 0 EEADMM COC[C@@](C)(CC(=O)OC)NCc1cc(C(=O)[O-])ccc1Cl ZINC000833721672 605841406 /nfs/dbraw/zinc/84/14/06/605841406.db2.gz QSTRCMFXGMCYLY-OAHLLOKOSA-N -1 1 329.780 2.096 20 0 EEADMM Cc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822263533 606134186 /nfs/dbraw/zinc/13/41/86/606134186.db2.gz ROGKGMQAVJQBQB-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822263533 606134187 /nfs/dbraw/zinc/13/41/87/606134187.db2.gz ROGKGMQAVJQBQB-UHFFFAOYSA-N -1 1 330.369 2.472 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000822351205 606139365 /nfs/dbraw/zinc/13/93/65/606139365.db2.gz LRCIWKYXWMBORF-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Cc1ccccc1[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000822351205 606139366 /nfs/dbraw/zinc/13/93/66/606139366.db2.gz LRCIWKYXWMBORF-SECBINFHSA-N -1 1 336.808 2.431 20 0 EEADMM Clc1ccc(N2CCC[C@@]3(CCCOC3)C2)nc1-c1nnn[n-]1 ZINC000822578865 606142539 /nfs/dbraw/zinc/14/25/39/606142539.db2.gz RMGUGEAFGGEQPE-OAHLLOKOSA-N -1 1 334.811 2.312 20 0 EEADMM Clc1ccc(N2CCC[C@@]3(CCCOC3)C2)nc1-c1nn[n-]n1 ZINC000822578865 606142540 /nfs/dbraw/zinc/14/25/40/606142540.db2.gz RMGUGEAFGGEQPE-OAHLLOKOSA-N -1 1 334.811 2.312 20 0 EEADMM COCCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821694624 606176479 /nfs/dbraw/zinc/17/64/79/606176479.db2.gz VLIWQNFYSBXOQZ-UHFFFAOYSA-N -1 1 330.369 2.336 20 0 EEADMM COCCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821694624 606176480 /nfs/dbraw/zinc/17/64/80/606176480.db2.gz VLIWQNFYSBXOQZ-UHFFFAOYSA-N -1 1 330.369 2.336 20 0 EEADMM Cc1cnc(C(C)(C)NC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000822389540 606192878 /nfs/dbraw/zinc/19/28/78/606192878.db2.gz ZTYWXRQPRXPDBH-UHFFFAOYSA-N -1 1 334.430 2.358 20 0 EEADMM Cc1cnc(C(C)(C)NC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000822389540 606192880 /nfs/dbraw/zinc/19/28/80/606192880.db2.gz ZTYWXRQPRXPDBH-UHFFFAOYSA-N -1 1 334.430 2.358 20 0 EEADMM C[C@H](NCc1ccc(-c2nn[n-]n2)s1)c1nc(C(C)(C)C)no1 ZINC000820433057 606423702 /nfs/dbraw/zinc/42/37/02/606423702.db2.gz VOZDAIXMOFBSQC-QMMMGPOBSA-N -1 1 333.421 2.460 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820907090 606427720 /nfs/dbraw/zinc/42/77/20/606427720.db2.gz AUYZIPWLFCJZKY-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM CC[C@@H](CNc1nccnc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820907090 606427722 /nfs/dbraw/zinc/42/77/22/606427722.db2.gz AUYZIPWLFCJZKY-LBPRGKRZSA-N -1 1 325.376 2.235 20 0 EEADMM OCC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCCCC1 ZINC000823715892 606432769 /nfs/dbraw/zinc/43/27/69/606432769.db2.gz YKJPQSFCTJCZKJ-UHFFFAOYSA-N -1 1 339.403 2.165 20 0 EEADMM OCC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCCCC1 ZINC000823715892 606432771 /nfs/dbraw/zinc/43/27/71/606432771.db2.gz YKJPQSFCTJCZKJ-UHFFFAOYSA-N -1 1 339.403 2.165 20 0 EEADMM CCOC(=O)C[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821325117 606466732 /nfs/dbraw/zinc/46/67/32/606466732.db2.gz BSRNCDQNPUXKKX-ZETCQYMHSA-N -1 1 327.797 2.349 20 0 EEADMM CCOC(=O)C[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821325117 606466734 /nfs/dbraw/zinc/46/67/34/606466734.db2.gz BSRNCDQNPUXKKX-ZETCQYMHSA-N -1 1 327.797 2.349 20 0 EEADMM CC(C)[C@H]1OCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000820045607 606471985 /nfs/dbraw/zinc/47/19/85/606471985.db2.gz OFRUENOFXQZMCC-VXNVDRBHSA-N -1 1 328.829 2.450 20 0 EEADMM CC(C)[C@H]1OCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000820045607 606471987 /nfs/dbraw/zinc/47/19/87/606471987.db2.gz OFRUENOFXQZMCC-VXNVDRBHSA-N -1 1 328.829 2.450 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823161290 606494283 /nfs/dbraw/zinc/49/42/83/606494283.db2.gz LYLSWBCHLFFQKK-LBPRGKRZSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(N[C@H]1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823161290 606494284 /nfs/dbraw/zinc/49/42/84/606494284.db2.gz LYLSWBCHLFFQKK-LBPRGKRZSA-N -1 1 325.397 2.216 20 0 EEADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823355450 606530089 /nfs/dbraw/zinc/53/00/89/606530089.db2.gz CQBFEYCQVGCCCE-UHFFFAOYSA-N -1 1 339.336 2.287 20 0 EEADMM O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823355450 606530090 /nfs/dbraw/zinc/53/00/90/606530090.db2.gz CQBFEYCQVGCCCE-UHFFFAOYSA-N -1 1 339.336 2.287 20 0 EEADMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823155151 606532273 /nfs/dbraw/zinc/53/22/73/606532273.db2.gz OYRPOIMHRMTFTB-SNVBAGLBSA-N -1 1 345.359 2.321 20 0 EEADMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823155151 606532275 /nfs/dbraw/zinc/53/22/75/606532275.db2.gz OYRPOIMHRMTFTB-SNVBAGLBSA-N -1 1 345.359 2.321 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819907726 606566125 /nfs/dbraw/zinc/56/61/25/606566125.db2.gz QLESWSVFZAQFCJ-ZWNOBZJWSA-N -1 1 349.460 2.499 20 0 EEADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819907726 606566127 /nfs/dbraw/zinc/56/61/27/606566127.db2.gz QLESWSVFZAQFCJ-ZWNOBZJWSA-N -1 1 349.460 2.499 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000823478166 606575261 /nfs/dbraw/zinc/57/52/61/606575261.db2.gz HNGMUNCCCDFHAY-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000823478166 606575263 /nfs/dbraw/zinc/57/52/63/606575263.db2.gz HNGMUNCCCDFHAY-GFCCVEGCSA-N -1 1 347.444 2.492 20 0 EEADMM Cc1ccccc1C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000822350405 606648224 /nfs/dbraw/zinc/64/82/24/606648224.db2.gz CSCFFEKPLQFRGN-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM Cc1ccccc1C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000822350405 606648225 /nfs/dbraw/zinc/64/82/25/606648225.db2.gz CSCFFEKPLQFRGN-UHFFFAOYSA-N -1 1 335.367 2.345 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000819928863 606724406 /nfs/dbraw/zinc/72/44/06/606724406.db2.gz YXMAJELYENLYJT-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM CC(C)(C)OC(=O)C[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000819928863 606724407 /nfs/dbraw/zinc/72/44/07/606724407.db2.gz YXMAJELYENLYJT-GFCCVEGCSA-N -1 1 344.419 2.210 20 0 EEADMM Clc1ccc(NCc2ccn3ccnc3c2)nc1-c1nnn[n-]1 ZINC000822578652 606793781 /nfs/dbraw/zinc/79/37/81/606793781.db2.gz NBNCGNIGHUQNIO-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM Clc1ccc(NCc2ccn3ccnc3c2)nc1-c1nn[n-]n1 ZINC000822578652 606793782 /nfs/dbraw/zinc/79/37/82/606793782.db2.gz NBNCGNIGHUQNIO-UHFFFAOYSA-N -1 1 326.751 2.175 20 0 EEADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000823379708 607103659 /nfs/dbraw/zinc/10/36/59/607103659.db2.gz FJWUEMQKBYAXCA-UHFFFAOYSA-N -1 1 330.417 2.478 20 0 EEADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000823379708 607103661 /nfs/dbraw/zinc/10/36/61/607103661.db2.gz FJWUEMQKBYAXCA-UHFFFAOYSA-N -1 1 330.417 2.478 20 0 EEADMM C[C@@H]1CCC[C@H](C)N1C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824925986 607863249 /nfs/dbraw/zinc/86/32/49/607863249.db2.gz HZSLOVQXOYZCIT-PHIMTYICSA-N -1 1 333.367 2.174 20 0 EEADMM C[C@@H]1CCC[C@H](C)N1C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824925986 607863250 /nfs/dbraw/zinc/86/32/50/607863250.db2.gz HZSLOVQXOYZCIT-PHIMTYICSA-N -1 1 333.367 2.174 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccccn3)no2)c1-c1nnn[n-]1 ZINC000826378158 607867001 /nfs/dbraw/zinc/86/70/01/607867001.db2.gz YLEQEKUXEZDMTG-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM Fc1cccc(OCc2nc(-c3ccccn3)no2)c1-c1nn[n-]n1 ZINC000826378158 607867002 /nfs/dbraw/zinc/86/70/02/607867002.db2.gz YLEQEKUXEZDMTG-UHFFFAOYSA-N -1 1 339.290 2.030 20 0 EEADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)[C@@H](O)c1c(F)cccc1F ZINC000825149366 607900864 /nfs/dbraw/zinc/90/08/64/607900864.db2.gz XKYVPICXGWGGHT-IAQYHMDHSA-N -1 1 346.341 2.464 20 0 EEADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)[C@@H](O)c1c(F)cccc1F ZINC000825149366 607900865 /nfs/dbraw/zinc/90/08/65/607900865.db2.gz XKYVPICXGWGGHT-IAQYHMDHSA-N -1 1 346.341 2.464 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000823942307 607927197 /nfs/dbraw/zinc/92/71/97/607927197.db2.gz AVZQUOIKCXCUJN-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM CC(=Cc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000823942307 607927198 /nfs/dbraw/zinc/92/71/98/607927198.db2.gz AVZQUOIKCXCUJN-CLFYSBASSA-N -1 1 343.778 2.296 20 0 EEADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC=C(C(F)(F)F)CC1 ZINC000826472647 607956005 /nfs/dbraw/zinc/95/60/05/607956005.db2.gz RQVJMEKZPIBHMK-UHFFFAOYSA-N -1 1 329.307 2.263 20 0 EEADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC=C(C(F)(F)F)CC1 ZINC000826472647 607956006 /nfs/dbraw/zinc/95/60/06/607956006.db2.gz RQVJMEKZPIBHMK-UHFFFAOYSA-N -1 1 329.307 2.263 20 0 EEADMM CC[C@H](C)c1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000825074978 608013560 /nfs/dbraw/zinc/01/35/60/608013560.db2.gz MDWSSGLYGIYQLO-NSHDSACASA-N -1 1 325.376 2.215 20 0 EEADMM CC[C@H](C)c1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000825074978 608013561 /nfs/dbraw/zinc/01/35/61/608013561.db2.gz MDWSSGLYGIYQLO-NSHDSACASA-N -1 1 325.376 2.215 20 0 EEADMM c1cc(NCCc2nc3c(s2)CCCC3)nc(-c2nnn[n-]2)c1 ZINC000826516831 608231674 /nfs/dbraw/zinc/23/16/74/608231674.db2.gz DIVADHRNWCNQGU-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM c1cc(NCCc2nc3c(s2)CCCC3)nc(-c2nn[n-]n2)c1 ZINC000826516831 608231675 /nfs/dbraw/zinc/23/16/75/608231675.db2.gz DIVADHRNWCNQGU-UHFFFAOYSA-N -1 1 327.417 2.252 20 0 EEADMM Brc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000823827371 608418898 /nfs/dbraw/zinc/41/88/98/608418898.db2.gz ZSWBFRFABYDJCS-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM Brc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000823827371 608418900 /nfs/dbraw/zinc/41/89/00/608418900.db2.gz ZSWBFRFABYDJCS-UHFFFAOYSA-N -1 1 346.192 2.074 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826367328 608430286 /nfs/dbraw/zinc/43/02/86/608430286.db2.gz UXLUFIXTFOWWET-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM FC(F)(F)[C@@H]1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826367328 608430288 /nfs/dbraw/zinc/43/02/88/608430288.db2.gz UXLUFIXTFOWWET-DTWKUNHWSA-N -1 1 327.314 2.437 20 0 EEADMM CC(C)c1nc(Oc2cccc(F)c2-c2nnn[n-]2)nc(N(C)C)n1 ZINC000824358214 608437058 /nfs/dbraw/zinc/43/70/58/608437058.db2.gz CBYIMWKDVBCNNQ-UHFFFAOYSA-N -1 1 344.354 2.173 20 0 EEADMM CC(C)c1nc(Oc2cccc(F)c2-c2nn[n-]n2)nc(N(C)C)n1 ZINC000824358214 608437059 /nfs/dbraw/zinc/43/70/59/608437059.db2.gz CBYIMWKDVBCNNQ-UHFFFAOYSA-N -1 1 344.354 2.173 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826520183 608438211 /nfs/dbraw/zinc/43/82/11/608438211.db2.gz BZJDGFWPJHWCPX-DOMZBBRYSA-N -1 1 337.387 2.237 20 0 EEADMM c1ccc([C@H](C[C@H]2CCOC2)Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826520183 608438212 /nfs/dbraw/zinc/43/82/12/608438212.db2.gz BZJDGFWPJHWCPX-DOMZBBRYSA-N -1 1 337.387 2.237 20 0 EEADMM Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826296869 608501424 /nfs/dbraw/zinc/50/14/24/608501424.db2.gz MLCXWPVEPMZRPN-UHFFFAOYSA-N -1 1 340.387 2.147 20 0 EEADMM Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826296869 608501425 /nfs/dbraw/zinc/50/14/25/608501425.db2.gz MLCXWPVEPMZRPN-UHFFFAOYSA-N -1 1 340.387 2.147 20 0 EEADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CCO1 ZINC000825254450 609161619 /nfs/dbraw/zinc/16/16/19/609161619.db2.gz RQJAKRGQAKMOEC-NWDGAFQWSA-N -1 1 331.376 2.106 20 0 EEADMM CC(C)C[C@H](NCc1ccc(-c2nnn[n-]2)o1)C(=O)OC(C)(C)C ZINC000824237774 609443348 /nfs/dbraw/zinc/44/33/48/609443348.db2.gz VYZCFTDBCJLUPH-LBPRGKRZSA-N -1 1 335.408 2.306 20 0 EEADMM CC(C)C[C@H](NCc1ccc(-c2nn[n-]n2)o1)C(=O)OC(C)(C)C ZINC000824237774 609443349 /nfs/dbraw/zinc/44/33/49/609443349.db2.gz VYZCFTDBCJLUPH-LBPRGKRZSA-N -1 1 335.408 2.306 20 0 EEADMM Cc1cccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1F ZINC000826300402 609571762 /nfs/dbraw/zinc/57/17/62/609571762.db2.gz UBCSHELKIXQQMQ-UHFFFAOYSA-N -1 1 348.359 2.390 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3cc(F)ccc3C)C2)c1[O-] ZINC000969506129 675080901 /nfs/dbraw/zinc/08/09/01/675080901.db2.gz NAHGWHMICMRYON-LLVKDONJSA-N -1 1 346.406 2.122 20 0 EEADMM CC(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@@H]2C1 ZINC001021445002 676092168 /nfs/dbraw/zinc/09/21/68/676092168.db2.gz SKEKRORXFKKMBM-UONOGXRCSA-N -1 1 345.443 2.142 20 0 EEADMM Cn1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c(C2CCC2)n1 ZINC000891614642 676721134 /nfs/dbraw/zinc/72/11/34/676721134.db2.gz NWMMOXOEUYAQCN-UHFFFAOYSA-N -1 1 327.388 2.314 20 0 EEADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccc2nsnc2c1 ZINC000891623634 676733153 /nfs/dbraw/zinc/73/31/53/676733153.db2.gz WYLPWOBNHYXPLR-UHFFFAOYSA-N -1 1 327.369 2.318 20 0 EEADMM Cc1n[n-]c(=S)n1CCNC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000084332424 676770815 /nfs/dbraw/zinc/77/08/15/676770815.db2.gz XNSPRQVMNKJWOJ-UHFFFAOYSA-N -1 1 343.416 2.257 20 0 EEADMM C[C@H]1C[C@H](NC(=O)c2ncccc2[O-])CCN1Cc1cncc(F)c1 ZINC000947232020 678583130 /nfs/dbraw/zinc/58/31/30/678583130.db2.gz RLGBGMGTIRUKNW-SWLSCSKDSA-N -1 1 344.390 2.104 20 0 EEADMM COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc21 ZINC000046584099 678912994 /nfs/dbraw/zinc/91/29/94/678912994.db2.gz OTWZOGMYFCOECS-UHFFFAOYSA-N -1 1 349.343 2.289 20 0 EEADMM Cc1cncc(CN2CCCC[C@H]2CNC(=O)c2ncccc2[O-])c1 ZINC001024407430 679891872 /nfs/dbraw/zinc/89/18/72/679891872.db2.gz NOKPAUYVKZGCKH-INIZCTEOSA-N -1 1 340.427 2.275 20 0 EEADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CCC3)CCN1C(=O)c1ncccc1[O-] ZINC000984880543 685369647 /nfs/dbraw/zinc/36/96/47/685369647.db2.gz WHIWHVJEXZVGIU-MELADBBJSA-N -1 1 343.427 2.087 20 0 EEADMM O=C(NCC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ncccc1[O-] ZINC001059059060 681326667 /nfs/dbraw/zinc/32/66/67/681326667.db2.gz QJYLOIDUMGKPOC-CQSZACIVSA-N -1 1 339.395 2.069 20 0 EEADMM CN(C(=O)C1(C2CC2)CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937217374 681698407 /nfs/dbraw/zinc/69/84/07/681698407.db2.gz UWHPZYNHWDEUGD-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CN(C(=O)[C@@]1(C)CC=CCC1)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937219222 681719682 /nfs/dbraw/zinc/71/96/82/681719682.db2.gz DRUVAPFMQRVIIB-KUHUBIRLSA-N -1 1 343.427 2.207 20 0 EEADMM CN(C(=O)[C@H]1CC12CCCC2)[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000937221163 681728089 /nfs/dbraw/zinc/72/80/89/681728089.db2.gz ZCOUDNJFUKLSKT-ZIAGYGMSSA-N -1 1 343.427 2.040 20 0 EEADMM Cn1c(CNC(=O)c2cccn2Cc2ccccc2)n[n-]c1=S ZINC000066626108 681740392 /nfs/dbraw/zinc/74/03/92/681740392.db2.gz IVQOHZLFSSJUOF-UHFFFAOYSA-N -1 1 327.413 2.257 20 0 EEADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](C2OCCO2)C1 ZINC000927999257 681793738 /nfs/dbraw/zinc/79/37/38/681793738.db2.gz PBDNZEXSDLKXFU-SECBINFHSA-N -1 1 331.290 2.246 20 0 EEADMM C[C@@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001025105069 682038884 /nfs/dbraw/zinc/03/88/84/682038884.db2.gz NPHWQDCROULAHZ-DZGCQCFKSA-N -1 1 349.479 2.197 20 0 EEADMM COCc1nc(N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc(=O)[n-]1 ZINC000894348921 682588417 /nfs/dbraw/zinc/58/84/17/682588417.db2.gz OABWWVYNDDQLNX-LLVKDONJSA-N -1 1 343.387 2.031 20 0 EEADMM Cc1coc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ncccc3[O-])C2)c1 ZINC000983575861 682882267 /nfs/dbraw/zinc/88/22/67/682882267.db2.gz SLYMYJZGXCRFFC-STQMWFEESA-N -1 1 343.383 2.160 20 0 EEADMM CCCC(=O)N1CCC[C@@H]2CN(C(=O)c3ncccc3[O-])CC[C@@H]21 ZINC000973679516 682896330 /nfs/dbraw/zinc/89/63/30/682896330.db2.gz FLAUKQVAHGZJJH-KGLIPLIRSA-N -1 1 331.416 2.040 20 0 EEADMM CCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ncccc2[O-])C1 ZINC000973719146 683131613 /nfs/dbraw/zinc/13/16/13/683131613.db2.gz ILZNFRHWJYXYOS-KGLIPLIRSA-N -1 1 331.416 2.040 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000909552041 685638003 /nfs/dbraw/zinc/63/80/03/685638003.db2.gz MTQGHYYDUDPTJI-KRWDZBQOSA-N -1 1 344.455 2.455 20 0 EEADMM COCCCOc1cccc(CNc2cc(=O)[n-]c(COC)n2)c1 ZINC000892950601 683290201 /nfs/dbraw/zinc/29/02/01/683290201.db2.gz HLHKSNZRKVMXSO-UHFFFAOYSA-N -1 1 333.388 2.356 20 0 EEADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000983814576 683555417 /nfs/dbraw/zinc/55/54/17/683555417.db2.gz FDZORGXNBZBIRJ-HNNXBMFYSA-N -1 1 345.443 2.431 20 0 EEADMM CC/C=C(/C)C(=O)N1CC[C@@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001059269342 683840777 /nfs/dbraw/zinc/84/07/77/683840777.db2.gz KLSLICQCXZXXQX-MECSIWFOSA-N -1 1 331.416 2.112 20 0 EEADMM Cn1ccc(-c2cc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)n[nH]2)c1 ZINC000909488817 684167787 /nfs/dbraw/zinc/16/77/87/684167787.db2.gz CCGOZYPQEQLJCF-CYBMUJFWSA-N -1 1 344.415 2.378 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000974059104 684273184 /nfs/dbraw/zinc/27/31/84/684273184.db2.gz ZNKIDGILTMRXDQ-OKILXGFUSA-N -1 1 339.395 2.095 20 0 EEADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1sc(N)nc1[O-] ZINC000162354579 684567642 /nfs/dbraw/zinc/56/76/42/684567642.db2.gz NGUMMZQOOGVFLJ-KBPBESRZSA-N -1 1 333.457 2.203 20 0 EEADMM COc1ccc(CN(C)C(=O)c2cnc(C3CC3)[n-]c2=O)cc1OC ZINC000899953640 693936099 /nfs/dbraw/zinc/93/60/99/693936099.db2.gz JZHAENOIGNWUMN-UHFFFAOYSA-N -1 1 343.383 2.349 20 0 EEADMM Cc1cccc(C2=CCN(C(=O)C[N@H+]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000909561227 685780260 /nfs/dbraw/zinc/78/02/60/685780260.db2.gz ZANPKDLIWPOAGG-SFHVURJKSA-N -1 1 342.439 2.407 20 0 EEADMM COC(=O)[C@]1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896976689 686020074 /nfs/dbraw/zinc/02/00/74/686020074.db2.gz IGSIPTICJSNZGG-GOSISDBHSA-N -1 1 329.352 2.276 20 0 EEADMM C/C(=C\C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1)C1CC1 ZINC001059514398 686258814 /nfs/dbraw/zinc/25/88/14/686258814.db2.gz CALZXKUMNNTTON-YPDDLIOESA-N -1 1 343.427 2.112 20 0 EEADMM CC/C(C)=C/C(=O)NCC[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516381 686286564 /nfs/dbraw/zinc/28/65/64/686286564.db2.gz KZAVAUCGSNLQBP-YPDDLIOESA-N -1 1 331.416 2.112 20 0 EEADMM CC1(C)CC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC001059516652 686287241 /nfs/dbraw/zinc/28/72/41/686287241.db2.gz QYSMTTSFJGXSQG-KBPBESRZSA-N -1 1 345.443 2.192 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@@H](CNC(=O)c2ncccc2[O-])C1)C1CCC1 ZINC000975227468 686320430 /nfs/dbraw/zinc/32/04/30/686320430.db2.gz SUDIDIPTKYJODN-KGLIPLIRSA-N -1 1 345.443 2.192 20 0 EEADMM CC[C@](NC(=O)Cc1cc(C)n[nH]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909609728 687127299 /nfs/dbraw/zinc/12/72/99/687127299.db2.gz WREAPGQARUIGQJ-MRXNPFEDSA-N -1 1 335.791 2.420 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC000975945121 687192750 /nfs/dbraw/zinc/19/27/50/687192750.db2.gz LKERUNXEYOSNSN-GJZGRUSLSA-N -1 1 343.427 2.183 20 0 EEADMM COCc1nc(NC[C@](C)(Cc2ccccc2)[C@@H](C)O)cc(=O)[n-]1 ZINC000893461794 688162244 /nfs/dbraw/zinc/16/22/44/688162244.db2.gz SSIVGCCEQNQJIW-ACJLOTCBSA-N -1 1 331.416 2.370 20 0 EEADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029989037 688975596 /nfs/dbraw/zinc/97/55/96/688975596.db2.gz KBRCICBJEURGFK-DZGCQCFKSA-N -1 1 349.479 2.007 20 0 EEADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(CN(C)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001029992707 689093673 /nfs/dbraw/zinc/09/36/73/689093673.db2.gz HPRRAQBLDWYLCW-UGSOOPFHSA-N -1 1 349.479 2.007 20 0 EEADMM COC[C@](C)(NCc1ncc(Br)cc1Cl)C(=O)[O-] ZINC000904010356 694268215 /nfs/dbraw/zinc/26/82/15/694268215.db2.gz UNBOCERKSLLFOM-NSHDSACASA-N -1 1 337.601 2.077 20 0 EEADMM C[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000979216923 694302392 /nfs/dbraw/zinc/30/23/92/694302392.db2.gz FOFUETNISMNBQN-TUVASFSCSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)=C(F)C(=O)N1CCC(CN(C)C(=O)c2ncccc2[O-])CC1 ZINC000988505474 690766241 /nfs/dbraw/zinc/76/62/41/690766241.db2.gz IGNRSXCGTKDRLM-UHFFFAOYSA-N -1 1 349.406 2.361 20 0 EEADMM CCC1(C(=O)N2CCC(CN(C)C(=O)c3ncccc3[O-])CC2)CC1 ZINC000988630664 690888159 /nfs/dbraw/zinc/88/81/59/690888159.db2.gz SKVDLPMAHQWTBE-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM O=C(N[C@H]1CCN(C(=O)c2ncccc2[O-])C1)[C@H]1CCCC2(CC2)C1 ZINC000937950059 691101510 /nfs/dbraw/zinc/10/15/10/691101510.db2.gz XXJDPDLNGZPGNU-KBPBESRZSA-N -1 1 343.427 2.088 20 0 EEADMM C[C@@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)CN1C(=O)CCC1CCCCCC1 ZINC000989193572 691513944 /nfs/dbraw/zinc/51/39/44/691513944.db2.gz KQHLHIFXLCVCQN-UKRRQHHQSA-N -1 1 349.479 2.340 20 0 EEADMM CN(C[C@H]1CCN1C(=O)CC1CCCC1)C(=O)c1ncccc1[O-] ZINC000977596022 692793689 /nfs/dbraw/zinc/79/36/89/692793689.db2.gz AGBUIJQSDYVZJY-CQSZACIVSA-N -1 1 331.416 2.040 20 0 EEADMM CN(C[C@H]1CCN1C(=O)[C@@H]1CC12CCCC2)C(=O)c1ncccc1[O-] ZINC000977600225 692834834 /nfs/dbraw/zinc/83/48/34/692834834.db2.gz KWOSBHGHCZRPFO-KGLIPLIRSA-N -1 1 343.427 2.040 20 0 EEADMM CC1(C(=O)N2CC[C@H](NC(=O)c3ncccc3[O-])CC(C)(C)C2)CC1 ZINC000990681069 693208454 /nfs/dbraw/zinc/20/84/54/693208454.db2.gz IDGQDVCUKUBFJM-ZDUSSCGKSA-N -1 1 345.443 2.334 20 0 EEADMM O=C(N[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1)c1cccs1 ZINC000943059767 1192026783 /nfs/dbraw/zinc/02/67/83/1192026783.db2.gz PXQCKZSBJWLPBN-GFCCVEGCSA-N -1 1 345.424 2.273 20 0 EEADMM CC(C)(C(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000943204187 1192114057 /nfs/dbraw/zinc/11/40/57/1192114057.db2.gz QXCOBZKSEGTHOV-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](CC(=O)N1CCCC[C@@H](NC(=O)c2ncccc2[O-])C1)C1CC1 ZINC000943203869 1192114122 /nfs/dbraw/zinc/11/41/22/1192114122.db2.gz NOVROCOKWKUDLZ-DZGCQCFKSA-N -1 1 345.443 2.334 20 0 EEADMM CC1(C(=O)N2CCCC[C@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC000943204538 1192114644 /nfs/dbraw/zinc/11/46/44/1192114644.db2.gz UNGBASZBKIUJQK-ZDUSSCGKSA-N -1 1 331.416 2.088 20 0 EEADMM CC1(C)CC[C@@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ncccc2[O-])C1 ZINC000943446793 1192284886 /nfs/dbraw/zinc/28/48/86/1192284886.db2.gz DMTPOQXWQMRPKJ-UONOGXRCSA-N -1 1 345.443 2.334 20 0 EEADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3ncccc3[O-])CC2)o1 ZINC000943617789 1192419397 /nfs/dbraw/zinc/41/93/97/1192419397.db2.gz GVZDKNHVBGBNDU-JOCQHMNTSA-N -1 1 343.383 2.160 20 0 EEADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC000943684702 1192474172 /nfs/dbraw/zinc/47/41/72/1192474172.db2.gz ZXQLUZSQMXXCET-KBUPBQIOSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)[C@H]1CC[C@H](C(=O)N(C)CCNC(=O)c2ncccc2[O-])CC1 ZINC001408554178 1178134956 /nfs/dbraw/zinc/13/49/56/1178134956.db2.gz DZNIERJAHKKVEX-SHTZXODSSA-N -1 1 347.459 2.438 20 0 EEADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001771693220 1178506339 /nfs/dbraw/zinc/50/63/39/1178506339.db2.gz FIAJSUCTDOQZMR-GFCCVEGCSA-N -1 1 335.784 2.099 20 0 EEADMM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ncccc1[O-])C1CCCC1 ZINC000944313911 1193009872 /nfs/dbraw/zinc/00/98/72/1193009872.db2.gz SNBXHNAFIRTYHI-UKRRQHHQSA-N -1 1 345.443 2.334 20 0 EEADMM O=C([O-])c1ccc(CN2CCCC[C@@]23CC(=O)N(CC(F)F)C3)o1 ZINC001272764335 1193485793 /nfs/dbraw/zinc/48/57/93/1193485793.db2.gz PWBOPUCLMHESPZ-INIZCTEOSA-N -1 1 342.342 2.200 20 0 EEADMM CC[C@@H](CC(F)F)C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001076835255 1189186957 /nfs/dbraw/zinc/18/69/57/1189186957.db2.gz RGTLGSNFNFCEJJ-QWRGUYRKSA-N -1 1 343.374 2.093 20 0 EEADMM C[C@@](CNC(=O)c1ncccc1[O-])(NC(=O)CCCC1CC1)C1CC1 ZINC001409545501 1190009267 /nfs/dbraw/zinc/00/92/67/1190009267.db2.gz YSHXKGDEBOZIDV-IBGZPJMESA-N -1 1 345.443 2.382 20 0 EEADMM CN(C(=O)CC1(C)CC1)C1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001486741141 1194213224 /nfs/dbraw/zinc/21/32/24/1194213224.db2.gz FLZRANVFLKMPIU-UHFFFAOYSA-N -1 1 345.443 2.477 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001033814167 1195324984 /nfs/dbraw/zinc/32/49/84/1195324984.db2.gz QVYFPBFRICZZFC-AWEZNQCLSA-N -1 1 344.415 2.129 20 0 EEADMM C/C=C(\C)C(=O)N1CCCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001005404158 1195380602 /nfs/dbraw/zinc/38/06/02/1195380602.db2.gz GNYWSPNAKBUASW-MIJQFGFMSA-N -1 1 331.416 2.254 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)C2=CCCC2)CN1C(=O)c1ncccc1[O-] ZINC001018084519 1224312048 /nfs/dbraw/zinc/31/20/48/1224312048.db2.gz MABPIPJEBQRYMO-TZMCWYRMSA-N -1 1 329.400 2.007 20 0 EEADMM C/C(=C/C(=O)N1C[C@H](NC(=O)c2ncccc2[O-])CC[C@@H]1C)C1CC1 ZINC001018099314 1224332086 /nfs/dbraw/zinc/33/20/86/1224332086.db2.gz LIUFYQWQKKNBCN-JQQVXKHSSA-N -1 1 343.427 2.253 20 0 EEADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)C1CCCCCC1 ZINC001011559634 1224364491 /nfs/dbraw/zinc/36/44/91/1224364491.db2.gz CFRBXLZQFQRIOI-ZFWWWQNUSA-N -1 1 345.443 2.477 20 0 EEADMM C[C@@H]1CCc2[n-]n(-c3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c21 ZINC000871950104 1197988038 /nfs/dbraw/zinc/98/80/38/1197988038.db2.gz XCUSWDGZTYTFSV-PELKAZGASA-N -1 1 328.340 2.432 20 0 EEADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000865100406 1198085847 /nfs/dbraw/zinc/08/58/47/1198085847.db2.gz TUQYOTKUYCBBGY-CYBMUJFWSA-N -1 1 325.792 2.342 20 0 EEADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CC23CCC3)c1F ZINC000872649470 1198303172 /nfs/dbraw/zinc/30/31/72/1198303172.db2.gz AUPLCDPLUFTUKG-NSHDSACASA-N -1 1 347.795 2.487 20 0 EEADMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)N[C@H]1CC12CCC2 ZINC000873265301 1198545312 /nfs/dbraw/zinc/54/53/12/1198545312.db2.gz MGXDDFGZANBTSV-MXWKQRLJSA-N -1 1 333.354 2.170 20 0 EEADMM O=C(NC[C@H](NC(=O)C1CCCC1)C1CCCC1)c1ncccc1[O-] ZINC001410955880 1198626463 /nfs/dbraw/zinc/62/64/63/1198626463.db2.gz CZRZTUFBIVOMSG-HNNXBMFYSA-N -1 1 345.443 2.382 20 0 EEADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(Cc3c(F)cccc3F)C2)cn1 ZINC000873644832 1198665743 /nfs/dbraw/zinc/66/57/43/1198665743.db2.gz HPXCZXACGRIVKT-NWDGAFQWSA-N -1 1 335.354 2.389 20 0 EEADMM CC1CCN(c2ccc(NC(=O)CCCc3nn[n-]n3)cc2)CC1 ZINC000873831980 1198713922 /nfs/dbraw/zinc/71/39/22/1198713922.db2.gz VTCJZROCKXWTFK-UHFFFAOYSA-N -1 1 328.420 2.397 20 0 EEADMM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncccc3[O-])[C@H]2C)oc1C ZINC001011671182 1224501715 /nfs/dbraw/zinc/50/17/15/1224501715.db2.gz FKCHDRMANCIHHV-WCQYABFASA-N -1 1 343.383 2.030 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)CCC1CC1 ZINC001014893039 1224504726 /nfs/dbraw/zinc/50/47/26/1224504726.db2.gz KMPCZMNKFXKDAR-TZMCWYRMSA-N -1 1 331.416 2.087 20 0 EEADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1C(=O)c1ccccc1 ZINC001014895602 1224508964 /nfs/dbraw/zinc/50/89/64/1224508964.db2.gz UMVZVEUSHJEGGT-UKRRQHHQSA-N -1 1 339.395 2.210 20 0 EEADMM CCc1cc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1O ZINC000811306366 1199963389 /nfs/dbraw/zinc/96/33/89/1199963389.db2.gz PMYMVUOIZWPEHK-UHFFFAOYSA-N -1 1 327.336 2.068 20 0 EEADMM C[C@@H](CC(=O)OCC(=O)CC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000869299272 1199998891 /nfs/dbraw/zinc/99/88/91/1199998891.db2.gz OTIBWGFDWVFZBJ-NSHDSACASA-N -1 1 345.317 2.361 20 0 EEADMM Cc1nn(C(C)C)cc1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877775763 1200091508 /nfs/dbraw/zinc/09/15/08/1200091508.db2.gz PFIUHZZWDMTPLT-AWEZNQCLSA-N -1 1 332.370 2.415 20 0 EEADMM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cnc3ccccc3n2)C1 ZINC000877775911 1200094063 /nfs/dbraw/zinc/09/40/63/1200094063.db2.gz TUWSZIVEHNUPAO-HNNXBMFYSA-N -1 1 338.333 2.273 20 0 EEADMM CSc1cncc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)n1 ZINC000811855907 1200361553 /nfs/dbraw/zinc/36/15/53/1200361553.db2.gz AYBBVIDXMNLBEB-SECBINFHSA-N -1 1 334.367 2.093 20 0 EEADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000870396069 1200656030 /nfs/dbraw/zinc/65/60/30/1200656030.db2.gz HDLVVNNPHHEKEK-AAEUAGOBSA-N -1 1 348.399 2.089 20 0 EEADMM COc1ccc([C@@H]2[C@@H](C(=O)[N-]OC3CCC3)CCC(=O)N2C)cc1 ZINC000812793094 1200931484 /nfs/dbraw/zinc/93/14/84/1200931484.db2.gz OAWLSZIGQQWMAF-DOTOQJQBSA-N -1 1 332.400 2.205 20 0 EEADMM CCc1ccc(N2C[C@H](C(=O)[N-]OCCOC(C)C)CC2=O)cc1 ZINC000812802407 1200935980 /nfs/dbraw/zinc/93/59/80/1200935980.db2.gz LIRYQEWAKIAYKA-OAHLLOKOSA-N -1 1 334.416 2.075 20 0 EEADMM CC[C@H](C(=O)OC(C)(C)C)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879767349 1201249283 /nfs/dbraw/zinc/24/92/83/1201249283.db2.gz WVXDJVOFXACREW-QMTHXVAHSA-N -1 1 338.370 2.250 20 0 EEADMM C[C@@H]1CC[C@@H](NC(=O)C2(C)CC=CC2)CN1C(=O)c1ncccc1[O-] ZINC001018392999 1224668367 /nfs/dbraw/zinc/66/83/67/1224668367.db2.gz FYIRNKSUCCEOFD-ZIAGYGMSSA-N -1 1 343.427 2.253 20 0 EEADMM Nc1nc([O-])c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1 ZINC000120902708 1201432624 /nfs/dbraw/zinc/43/26/24/1201432624.db2.gz GNQKESIZPZRGCG-LBPRGKRZSA-N -1 1 349.437 2.217 20 0 EEADMM O=C(NC1([C@H]2CCCCO2)CCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000866173915 1201455063 /nfs/dbraw/zinc/45/50/63/1201455063.db2.gz CHOHMPKFWLUNFW-CQSZACIVSA-N -1 1 327.384 2.145 20 0 EEADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1csc2ccccc12 ZINC000866512099 1201536597 /nfs/dbraw/zinc/53/65/97/1201536597.db2.gz VPZSWIBFBUQEJI-UHFFFAOYSA-N -1 1 344.483 2.498 20 0 EEADMM CN(C(=O)C(C)(C)C)c1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC000121682921 1201637332 /nfs/dbraw/zinc/63/73/32/1201637332.db2.gz JLJMFRJORFOEHZ-UHFFFAOYSA-N -1 1 337.401 2.186 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)N2CCc3ccccc32)C1 ZINC000867889524 1201700416 /nfs/dbraw/zinc/70/04/16/1201700416.db2.gz AGNJILZREQDNKJ-OAHLLOKOSA-N -1 1 341.333 2.312 20 0 EEADMM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC000881446352 1201701184 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347.242 2.212 20 0 EEADMM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603585001 1350725182 /nfs/dbraw/zinc/72/51/82/1350725182.db2.gz LBLKKVZMLRFUPY-SNVBAGLBSA-N -1 1 343.416 2.418 20 0 EEADMM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603585001 1350725186 /nfs/dbraw/zinc/72/51/86/1350725186.db2.gz LBLKKVZMLRFUPY-SNVBAGLBSA-N -1 1 343.416 2.418 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603584685 1350725329 /nfs/dbraw/zinc/72/53/29/1350725329.db2.gz VJVCHIPRDWGYFC-SNVBAGLBSA-N -1 1 326.335 2.218 20 0 EEADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603584685 1350725333 /nfs/dbraw/zinc/72/53/33/1350725333.db2.gz VJVCHIPRDWGYFC-SNVBAGLBSA-N -1 1 326.335 2.218 20 0 EEADMM Cc1ccc(-c2nn[n-]n2)nc1NC[C@]1(C)COc2ccccc2O1 ZINC001605805068 1351225568 /nfs/dbraw/zinc/22/55/68/1351225568.db2.gz OHAOEHDZIDQBRG-QGZVFWFLSA-N -1 1 338.371 2.212 20 0 EEADMM Cc1ccnc(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)n1 ZINC001309680676 1331638628 /nfs/dbraw/zinc/63/86/28/1331638628.db2.gz KVMQDJUECMRVFT-UHFFFAOYSA-N -1 1 346.437 2.387 20 0 EEADMM O=S(=O)([N-]Cc1noc2ccccc21)c1c[nH]nc1C(F)(F)F ZINC001309841161 1331643715 /nfs/dbraw/zinc/64/37/15/1331643715.db2.gz ZJQQBLRYJCHCRA-UHFFFAOYSA-N -1 1 346.290 2.048 20 0 EEADMM O=C([O-])CCOc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC001608731535 1351751371 /nfs/dbraw/zinc/75/13/71/1351751371.db2.gz AMVVYGQCISXRDB-NSHDSACASA-N -1 1 329.356 2.007 20 0 EEADMM O=C([O-])Cc1cccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC001608783958 1351762758 /nfs/dbraw/zinc/76/27/58/1351762758.db2.gz GMPWIOUQAKVSAN-UHFFFAOYSA-N -1 1 327.315 2.259 20 0 EEADMM O=C([O-])c1cc(Br)oc1CN1CC[C@@H](CCCO)C1 ZINC001608834584 1351774376 /nfs/dbraw/zinc/77/43/76/1351774376.db2.gz VIOLUDVGRSYZRK-SECBINFHSA-N -1 1 332.194 2.335 20 0 EEADMM O=C([O-])c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)nc1 ZINC001608881509 1351785567 /nfs/dbraw/zinc/78/55/67/1351785567.db2.gz BDOSDPSBAXOLML-UHFFFAOYSA-N -1 1 345.424 2.236 20 0 EEADMM Cc1nc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)no1 ZINC001319680150 1332740415 /nfs/dbraw/zinc/74/04/15/1332740415.db2.gz IBXBLBBGTWHNJE-QMMMGPOBSA-N -1 1 325.271 2.040 20 0 EEADMM COc1ccc2cc(C(=O)N(C)C[C@@H](C)c3nn[n-]n3)ccc2c1 ZINC001320397916 1332875198 /nfs/dbraw/zinc/87/51/98/1332875198.db2.gz IEOBSLDTRFSPHO-LLVKDONJSA-N -1 1 325.372 2.237 20 0 EEADMM Brc1cccc(CNc2cc(-c3nnn[n-]3)ncn2)c1 ZINC001609018404 1351816364 /nfs/dbraw/zinc/81/63/64/1351816364.db2.gz PVIWDMJDZQQKBI-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM Brc1cccc(CNc2cc(-c3nn[n-]n3)ncn2)c1 ZINC001609018404 1351816367 /nfs/dbraw/zinc/81/63/67/1351816367.db2.gz PVIWDMJDZQQKBI-UHFFFAOYSA-N -1 1 332.165 2.031 20 0 EEADMM CC(=O)Nc1cccc(NCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001609064660 1351828751 /nfs/dbraw/zinc/82/87/51/1351828751.db2.gz LFYONOBGGPMWEZ-UHFFFAOYSA-N -1 1 329.389 2.202 20 0 EEADMM CC(=O)Nc1cccc(NCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001609064660 1351828756 /nfs/dbraw/zinc/82/87/56/1351828756.db2.gz LFYONOBGGPMWEZ-UHFFFAOYSA-N -1 1 329.389 2.202 20 0 EEADMM CC(C)Oc1ccc([C@@H](O)CNc2cccnc2-c2nnn[n-]2)cc1 ZINC001609102763 1351843734 /nfs/dbraw/zinc/84/37/34/1351843734.db2.gz PTLSJNCDPFDDGG-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC(C)Oc1ccc([C@@H](O)CNc2cccnc2-c2nn[n-]n2)cc1 ZINC001609102763 1351843739 /nfs/dbraw/zinc/84/37/39/1351843739.db2.gz PTLSJNCDPFDDGG-HNNXBMFYSA-N -1 1 340.387 2.194 20 0 EEADMM CC1(C)CCCN1C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609145197 1351860928 /nfs/dbraw/zinc/86/09/28/1351860928.db2.gz DZTUUMQSXTVEOT-UHFFFAOYSA-N -1 1 340.309 2.295 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccnc(-c2nnn[n-]2)c1 ZINC001609164986 1351872070 /nfs/dbraw/zinc/87/20/70/1351872070.db2.gz BEQHLGYWPWERME-FZMZJTMJSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccnc(-c2nn[n-]n2)c1 ZINC001609164986 1351872074 /nfs/dbraw/zinc/87/20/74/1351872074.db2.gz BEQHLGYWPWERME-FZMZJTMJSA-N -1 1 331.376 2.014 20 0 EEADMM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001609177600 1351877459 /nfs/dbraw/zinc/87/74/59/1351877459.db2.gz ZGNWBOFMYOWMAQ-XVKPBYJWSA-N -1 1 333.339 2.080 20 0 EEADMM CC[C@](C)(NC(=O)c1cc(-c2nnn[n-]2)oc1C)c1nccs1 ZINC001609182865 1351879728 /nfs/dbraw/zinc/87/97/28/1351879728.db2.gz JYJWPVMEJBMZML-AWEZNQCLSA-N -1 1 332.389 2.280 20 0 EEADMM CC[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)oc1C)c1nccs1 ZINC001609182865 1351879730 /nfs/dbraw/zinc/87/97/30/1351879730.db2.gz JYJWPVMEJBMZML-AWEZNQCLSA-N -1 1 332.389 2.280 20 0 EEADMM CCC(CC)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nnn[n-]1 ZINC001609188865 1351882832 /nfs/dbraw/zinc/88/28/32/1351882832.db2.gz CRUDHXCEIWLHQG-LLVKDONJSA-N -1 1 344.341 2.490 20 0 EEADMM CCC(CC)[C@H](O)CNc1cc(C(F)(F)F)cnc1-c1nn[n-]n1 ZINC001609188865 1351882836 /nfs/dbraw/zinc/88/28/36/1351882836.db2.gz CRUDHXCEIWLHQG-LLVKDONJSA-N -1 1 344.341 2.490 20 0 EEADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)[C@@H]1CC1(C)C ZINC001609192842 1351885002 /nfs/dbraw/zinc/88/50/02/1351885002.db2.gz SIVHOJXVUPVZKW-VHSXEESVSA-N -1 1 334.811 2.470 20 0 EEADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](C)Cc1ccsc1 ZINC001609220442 1351898073 /nfs/dbraw/zinc/89/80/73/1351898073.db2.gz WKLZXZJMWVUOSL-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](C)Cc1ccsc1 ZINC001609220442 1351898077 /nfs/dbraw/zinc/89/80/77/1351898077.db2.gz WKLZXZJMWVUOSL-NSHDSACASA-N -1 1 342.428 2.417 20 0 EEADMM CCN(Cc1occc1C)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001609226478 1351901786 /nfs/dbraw/zinc/90/17/86/1351901786.db2.gz LOZQMCVMIZODFC-UHFFFAOYSA-N -1 1 327.348 2.217 20 0 EEADMM CCN(Cc1occc1C)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001609226478 1351901788 /nfs/dbraw/zinc/90/17/88/1351901788.db2.gz LOZQMCVMIZODFC-UHFFFAOYSA-N -1 1 327.348 2.217 20 0 EEADMM CCOC(=O)c1cnn(CC[C@H]2CCC[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001609235855 1351903944 /nfs/dbraw/zinc/90/39/44/1351903944.db2.gz CWVVSSMGJZSLMK-VXGBXAGGSA-N -1 1 332.408 2.456 20 0 EEADMM CO[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C12CCC2 ZINC001609313643 1351929443 /nfs/dbraw/zinc/92/94/43/1351929443.db2.gz OWHQONVUVUTPML-RQJHMYQMSA-N -1 1 326.813 2.346 20 0 EEADMM CO[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C12CCC2 ZINC001609313643 1351929445 /nfs/dbraw/zinc/92/94/45/1351929445.db2.gz OWHQONVUVUTPML-RQJHMYQMSA-N -1 1 326.813 2.346 20 0 EEADMM Cc1ccc(N2CCC[C@H](Nc3ncncc3-c3nn[n-]n3)C2)cc1 ZINC001609425617 1351972314 /nfs/dbraw/zinc/97/23/14/1351972314.db2.gz ZRCBRTIVJZYIIR-ZDUSSCGKSA-N -1 1 336.403 2.046 20 0 EEADMM Cc1coc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1C ZINC001609442177 1351979434 /nfs/dbraw/zinc/97/94/34/1351979434.db2.gz UVZFISDKHFEYGS-UHFFFAOYSA-N -1 1 329.364 2.280 20 0 EEADMM Cc1coc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1C ZINC001609442177 1351979436 /nfs/dbraw/zinc/97/94/36/1351979436.db2.gz UVZFISDKHFEYGS-UHFFFAOYSA-N -1 1 329.364 2.280 20 0 EEADMM Cc1[nH]nc(NCc2cc(Cl)cc3c2OCC3)c1-c1nnn[n-]1 ZINC001609444392 1351980141 /nfs/dbraw/zinc/98/01/41/1351980141.db2.gz ACSKQHXWHNXOCS-UHFFFAOYSA-N -1 1 331.767 2.099 20 0 EEADMM Cc1[nH]nc(NCc2cc(Cl)cc3c2OCC3)c1-c1nn[n-]n1 ZINC001609444392 1351980145 /nfs/dbraw/zinc/98/01/45/1351980145.db2.gz ACSKQHXWHNXOCS-UHFFFAOYSA-N -1 1 331.767 2.099 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2CCCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001609464852 1351987056 /nfs/dbraw/zinc/98/70/56/1351987056.db2.gz HPEAZLJEFPSPDG-ZETCQYMHSA-N -1 1 328.348 2.396 20 0 EEADMM Cc1nsc(NC(=O)[C@H]2CCCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001609464852 1351987059 /nfs/dbraw/zinc/98/70/59/1351987059.db2.gz HPEAZLJEFPSPDG-ZETCQYMHSA-N -1 1 328.348 2.396 20 0 EEADMM Cc1nsc(NC(=O)c2cc(C(C)(C)C)on2)c1-c1nn[n-]n1 ZINC001609465640 1351987722 /nfs/dbraw/zinc/98/77/22/1351987722.db2.gz NWEFGWHVDSXZIX-UHFFFAOYSA-N -1 1 333.377 2.169 20 0 EEADMM Fc1cc(CNc2cccnc2-c2nn[n-]n2)ccc1-n1ccnc1 ZINC001609488557 1351995386 /nfs/dbraw/zinc/99/53/86/1351995386.db2.gz ICZZHXMZVUONAC-UHFFFAOYSA-N -1 1 336.334 2.199 20 0 EEADMM Fc1ccc(-c2noc(-c3cccc(-c4nnn[n-]4)n3)n2)c(F)c1 ZINC001609490025 1351996014 /nfs/dbraw/zinc/99/60/14/1351996014.db2.gz XCJPKQBRAPGNQH-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(-c2noc(-c3cccc(-c4nn[n-]n4)n3)n2)c(F)c1 ZINC001609490025 1351996015 /nfs/dbraw/zinc/99/60/15/1351996015.db2.gz XCJPKQBRAPGNQH-UHFFFAOYSA-N -1 1 327.254 2.257 20 0 EEADMM Fc1ccc(OCc2cc3c(c(Cl)c2)OCO3)c(-c2nn[n-]n2)n1 ZINC001609491177 1351997136 /nfs/dbraw/zinc/99/71/36/1351997136.db2.gz KVILQJMVYVHBRJ-UHFFFAOYSA-N -1 1 349.709 2.362 20 0 EEADMM O=C(Nc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)o1 ZINC001609564094 1352017269 /nfs/dbraw/zinc/01/72/69/1352017269.db2.gz FEEHWLBRBFEMPI-UHFFFAOYSA-N -1 1 334.133 2.475 20 0 EEADMM O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)o1 ZINC001609577693 1352024381 /nfs/dbraw/zinc/02/43/81/1352024381.db2.gz NTUWRNVTXNAFIU-UHFFFAOYSA-N -1 1 344.718 2.118 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609583611 1352027527 /nfs/dbraw/zinc/02/75/27/1352027527.db2.gz HXNISIRBPUIVOV-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001609583611 1352027530 /nfs/dbraw/zinc/02/75/30/1352027530.db2.gz HXNISIRBPUIVOV-AWEZNQCLSA-N -1 1 336.355 2.222 20 0 EEADMM O=C1CCCc2c(OCc3nc(-c4nnn[n-]4)cs3)cccc21 ZINC001609588442 1352028418 /nfs/dbraw/zinc/02/84/18/1352028418.db2.gz MVXKLIYBLZUIGD-UHFFFAOYSA-N -1 1 327.369 2.421 20 0 EEADMM O=C1CCCc2c(OCc3nc(-c4nn[n-]n4)cs3)cccc21 ZINC001609588442 1352028419 /nfs/dbraw/zinc/02/84/19/1352028419.db2.gz MVXKLIYBLZUIGD-UHFFFAOYSA-N -1 1 327.369 2.421 20 0 EEADMM O=S(=O)(Oc1ccc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)o1 ZINC001609596875 1352030197 /nfs/dbraw/zinc/03/01/97/1352030197.db2.gz OSNDTQAZNKGGGP-UHFFFAOYSA-N -1 1 346.368 2.106 20 0 EEADMM CC(C)=CCC[C@H](C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC001609682211 1352057915 /nfs/dbraw/zinc/05/79/15/1352057915.db2.gz VUYKSFIBEYMPPQ-GJZGRUSLSA-N -1 1 325.453 2.312 20 0 EEADMM C[C@@](CNC(=O)[C@@H](N)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001609744661 1352074623 /nfs/dbraw/zinc/07/46/23/1352074623.db2.gz YUSWDIMXBGUYSO-YJBOKZPZSA-N -1 1 346.814 2.499 20 0 EEADMM C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609782599 1352084526 /nfs/dbraw/zinc/08/45/26/1352084526.db2.gz WERLHOMZLTZEOD-GFCCVEGCSA-N -1 1 328.368 2.100 20 0 EEADMM C[C@@H]1CN(c2nnc(-c3cc(Cl)ncc3[O-])n2C)C[C@@H](C2CC2)O1 ZINC001338182456 1336811086 /nfs/dbraw/zinc/81/10/86/1336811086.db2.gz VTNJMHUOXLCESW-RNCFNFMXSA-N -1 1 349.822 2.240 20 0 EEADMM C[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC001609811143 1352091287 /nfs/dbraw/zinc/09/12/87/1352091287.db2.gz KRWRGXBBWSDXHY-MRXNPFEDSA-N -1 1 342.342 2.413 20 0 EEADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=O)NC4)cc2o1 ZINC001338359600 1336847724 /nfs/dbraw/zinc/84/77/24/1336847724.db2.gz VJPJVVYUEWNXMI-UHFFFAOYSA-N -1 1 343.364 2.180 20 0 EEADMM CCC[C@](C)(NCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)[O-] ZINC001609953578 1352128591 /nfs/dbraw/zinc/12/85/91/1352128591.db2.gz ITRSKYFLNDWAOZ-INIZCTEOSA-N -1 1 348.382 2.070 20 0 EEADMM CCC1(CC)[C@H](NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)[C@H](C)[C@H]1OC ZINC001348204113 1337545649 /nfs/dbraw/zinc/54/56/49/1337545649.db2.gz YQTVPVSIHSTCER-XXILOJSOSA-N -1 1 339.461 2.349 20 0 EEADMM CCOC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001610019242 1352142125 /nfs/dbraw/zinc/14/21/25/1352142125.db2.gz GHYSSJJKCUJOPN-NOZJJQNGSA-N -1 1 344.770 2.425 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(C(=O)[O-])cc1F ZINC001610019817 1352142586 /nfs/dbraw/zinc/14/25/86/1352142586.db2.gz WAZHEHMNPDNIFG-KBPBESRZSA-N -1 1 339.363 2.066 20 0 EEADMM CN(C)[C@@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccsc1 ZINC001610097749 1352161651 /nfs/dbraw/zinc/16/16/51/1352161651.db2.gz LYUBDNWUNQCZEC-AWEZNQCLSA-N -1 1 339.461 2.247 20 0 EEADMM C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000847358374 1337977194 /nfs/dbraw/zinc/97/71/94/1337977194.db2.gz MYWHAAJVVFYODU-WHOHXGKFSA-N -1 1 335.370 2.416 20 0 EEADMM CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001352829586 1338080605 /nfs/dbraw/zinc/08/06/05/1338080605.db2.gz AUCAITPZQHBPMX-UHFFFAOYSA-N -1 1 346.341 2.235 20 0 EEADMM COCCN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC001610257694 1352195440 /nfs/dbraw/zinc/19/54/40/1352195440.db2.gz VMSAJYMOQGWZLQ-XJKSGUPXSA-N -1 1 334.416 2.460 20 0 EEADMM COc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)c(OC)c1OC ZINC001610335704 1352207196 /nfs/dbraw/zinc/20/71/96/1352207196.db2.gz ICVNFCPDRPOZDH-UHFFFAOYSA-N -1 1 348.399 2.347 20 0 EEADMM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(CN)o2)cc1 ZINC001610385151 1352214176 /nfs/dbraw/zinc/21/41/76/1352214176.db2.gz YMBPNCPTLWKMDA-CYBMUJFWSA-N -1 1 334.397 2.406 20 0 EEADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC001610374391 1352213209 /nfs/dbraw/zinc/21/32/09/1352213209.db2.gz XGEHJWXFWFPLPR-ZDUSSCGKSA-N -1 1 337.420 2.477 20 0 EEADMM Cc1cc(CNC(=O)c2cc(Br)cc(C(=O)[O-])c2)n[nH]1 ZINC001610459365 1352226479 /nfs/dbraw/zinc/22/64/79/1352226479.db2.gz KHOSDOCMEGTTIS-UHFFFAOYSA-N -1 1 338.161 2.109 20 0 EEADMM Cc1ccc(NC(=O)C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1 ZINC001610505329 1352235117 /nfs/dbraw/zinc/23/51/17/1352235117.db2.gz QGBPMJHBKKECDJ-UHFFFAOYSA-N -1 1 338.323 2.147 20 0 EEADMM Cc1n[nH]c(CCNC(=O)Nc2cccc(SCCC(=O)[O-])c2)n1 ZINC001610554942 1352243919 /nfs/dbraw/zinc/24/39/19/1352243919.db2.gz SBIWXUXJNGWXGG-UHFFFAOYSA-N -1 1 349.416 2.044 20 0 EEADMM Cc1noc(C)c1CO[C@H]1CCN(Cc2cc(C(=O)[O-])c(C)n2C)C1 ZINC001610575765 1352247744 /nfs/dbraw/zinc/24/77/44/1352247744.db2.gz NAQWPUNUBFJQDN-HNNXBMFYSA-N -1 1 347.415 2.428 20 0 EEADMM Cn1cc(NS(=O)(=O)c2cnc3ccccc3c2)cc1C(=O)[O-] ZINC001610605825 1352252761 /nfs/dbraw/zinc/25/27/61/1352252761.db2.gz SCNDOXCJMOTXDG-UHFFFAOYSA-N -1 1 331.353 2.072 20 0 EEADMM O=C(N[C@H](CNC(=O)C1=CCCCCC1)C1CC1)c1ncccc1[O-] ZINC001427898849 1339393257 /nfs/dbraw/zinc/39/32/57/1339393257.db2.gz JIYOBDYORXBODE-OAHLLOKOSA-N -1 1 343.427 2.302 20 0 EEADMM O=C(c1cccnc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000079396883 1355043958 /nfs/dbraw/zinc/04/39/58/1355043958.db2.gz CTQHJXBMNQXSNC-UHFFFAOYSA-N -1 1 345.786 2.039 20 0 EEADMM CSc1ncc(C(=O)NCc2cnccc2C(F)(F)F)c(=O)[n-]1 ZINC001434207440 1341791892 /nfs/dbraw/zinc/79/18/92/1341791892.db2.gz MIGOLZOKSMSSBG-UHFFFAOYSA-N -1 1 344.318 2.248 20 0 EEADMM C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001540812951 1342327520 /nfs/dbraw/zinc/32/75/20/1342327520.db2.gz BKODUOGGNCPYHZ-SECBINFHSA-N -1 1 344.400 2.030 20 0 EEADMM CC(C)Oc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC001574341849 1343673694 /nfs/dbraw/zinc/67/36/94/1343673694.db2.gz CMZUGSWOKDYSSY-UHFFFAOYSA-N -1 1 344.400 2.040 20 0 EEADMM CCCCC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001577416675 1344144530 /nfs/dbraw/zinc/14/45/30/1344144530.db2.gz KEKTXJNVNKJKEV-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM CCCCC(=O)NC[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001577416675 1344144533 /nfs/dbraw/zinc/14/45/33/1344144533.db2.gz KEKTXJNVNKJKEV-SSDOTTSWSA-N -1 1 343.844 2.083 20 0 EEADMM O=C(Nc1ccccc1OCc1c[nH]nn1)c1cccc(F)c1[O-] ZINC001578027031 1344224906 /nfs/dbraw/zinc/22/49/06/1344224906.db2.gz ZFMCVUWMHYYFHI-UHFFFAOYSA-N -1 1 328.303 2.481 20 0 EEADMM CCOC(=O)c1sc(Sc2cccc(-c3nnn[n-]3)n2)nc1C ZINC001578256026 1344256258 /nfs/dbraw/zinc/25/62/58/1344256258.db2.gz XFWQRGBEJGZAPF-UHFFFAOYSA-N -1 1 348.413 2.355 20 0 EEADMM CCOC(=O)c1sc(Sc2cccc(-c3nn[n-]n3)n2)nc1C ZINC001578256026 1344256264 /nfs/dbraw/zinc/25/62/64/1344256264.db2.gz XFWQRGBEJGZAPF-UHFFFAOYSA-N -1 1 348.413 2.355 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1C ZINC001579466295 1344385526 /nfs/dbraw/zinc/38/55/26/1344385526.db2.gz LWJSNWKRBDOROI-UHFFFAOYSA-N -1 1 342.315 2.199 20 0 EEADMM COC(=O)Nc1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1C ZINC001579466295 1344385530 /nfs/dbraw/zinc/38/55/30/1344385530.db2.gz LWJSNWKRBDOROI-UHFFFAOYSA-N -1 1 342.315 2.199 20 0 EEADMM COc1ccccc1C[C@H](C)Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001580083690 1344469435 /nfs/dbraw/zinc/46/94/35/1344469435.db2.gz RAAMFVRDWNSWIM-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM COc1ccccc1C[C@H](C)Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001580083690 1344469436 /nfs/dbraw/zinc/46/94/36/1344469436.db2.gz RAAMFVRDWNSWIM-JTQLQIEISA-N -1 1 325.376 2.017 20 0 EEADMM COc1ncc(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001580133090 1344478380 /nfs/dbraw/zinc/47/83/80/1344478380.db2.gz GPGOKAUEAYQMDL-HBNTYKKESA-N -1 1 330.392 2.281 20 0 EEADMM COc1ncc(NC(=O)Nc2cscc2C)cc1-c1nn[n-]n1 ZINC001580137882 1344479721 /nfs/dbraw/zinc/47/97/21/1344479721.db2.gz BLIVRTQAFIOSJS-UHFFFAOYSA-N -1 1 331.361 2.284 20 0 EEADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(C(F)(F)F)nc1 ZINC001580440987 1344520733 /nfs/dbraw/zinc/52/07/33/1344520733.db2.gz DUYVZFSXLILZAW-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(C(F)(F)F)nc1 ZINC001580440987 1344520739 /nfs/dbraw/zinc/52/07/39/1344520739.db2.gz DUYVZFSXLILZAW-ZETCQYMHSA-N -1 1 336.281 2.244 20 0 EEADMM O=S(=O)(c1cccc(Cl)c1[O-])N1CCNCC12CCCCC2 ZINC001580871636 1344567322 /nfs/dbraw/zinc/56/73/22/1344567322.db2.gz CMLOCMWNVZWROW-UHFFFAOYSA-N -1 1 344.864 2.342 20 0 EEADMM Cc1nsc(NC[C@H](C)N(C)C(=O)CC2CCC2)c1-c1nn[n-]n1 ZINC001581708574 1344656476 /nfs/dbraw/zinc/65/64/76/1344656476.db2.gz YFDBENUVFKIJNR-VIFPVBQESA-N -1 1 349.464 2.081 20 0 EEADMM O=C(CCc1cccc(Cl)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001582060941 1344697819 /nfs/dbraw/zinc/69/78/19/1344697819.db2.gz QXLHOARYNXLMRW-UHFFFAOYSA-N -1 1 342.790 2.164 20 0 EEADMM O=C(CCc1cccc(Cl)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001582060941 1344697821 /nfs/dbraw/zinc/69/78/21/1344697821.db2.gz QXLHOARYNXLMRW-UHFFFAOYSA-N -1 1 342.790 2.164 20 0 EEADMM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccsc1-c1nnn[n-]1 ZINC001582789696 1344791289 /nfs/dbraw/zinc/79/12/89/1344791289.db2.gz YHUYXXFRULQYKH-UHFFFAOYSA-N -1 1 342.340 2.243 20 0 EEADMM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccsc1-c1nn[n-]n1 ZINC001582789696 1344791291 /nfs/dbraw/zinc/79/12/91/1344791291.db2.gz YHUYXXFRULQYKH-UHFFFAOYSA-N -1 1 342.340 2.243 20 0 EEADMM OCCc1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC001582814114 1344795755 /nfs/dbraw/zinc/79/57/55/1344795755.db2.gz UKKNTGYXAMJQQW-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM OCCc1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC001582814114 1344795759 /nfs/dbraw/zinc/79/57/59/1344795759.db2.gz UKKNTGYXAMJQQW-UHFFFAOYSA-N -1 1 336.808 2.124 20 0 EEADMM CC(=O)CCCCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC001588792129 1348937015 /nfs/dbraw/zinc/93/70/15/1348937015.db2.gz VARYMIUDBFBMIF-UHFFFAOYSA-N -1 1 340.387 2.034 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001588999259 1348951935 /nfs/dbraw/zinc/95/19/35/1348951935.db2.gz IVDGJHHWEGHMJC-LLVKDONJSA-N -1 1 348.366 2.428 20 0 EEADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001588999259 1348951939 /nfs/dbraw/zinc/95/19/39/1348951939.db2.gz IVDGJHHWEGHMJC-LLVKDONJSA-N -1 1 348.366 2.428 20 0 EEADMM CC(C)(C)n1cc(CNc2n[nH]c(C3CC3)c2-c2nnn[n-]2)cn1 ZINC001589258534 1348976011 /nfs/dbraw/zinc/97/60/11/1348976011.db2.gz FCAJVGVBIMAJCJ-UHFFFAOYSA-N -1 1 327.396 2.031 20 0 EEADMM CC(C)(C)n1cc(CNc2n[nH]c(C3CC3)c2-c2nn[n-]n2)cn1 ZINC001589258534 1348976013 /nfs/dbraw/zinc/97/60/13/1348976013.db2.gz FCAJVGVBIMAJCJ-UHFFFAOYSA-N -1 1 327.396 2.031 20 0 EEADMM CC(C)(CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccccn1 ZINC001589289202 1348980007 /nfs/dbraw/zinc/98/00/07/1348980007.db2.gz ZEHBSZWHWAMZOC-UHFFFAOYSA-N -1 1 336.403 2.319 20 0 EEADMM CC(C)(CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccccn1 ZINC001589289202 1348980010 /nfs/dbraw/zinc/98/00/10/1348980010.db2.gz ZEHBSZWHWAMZOC-UHFFFAOYSA-N -1 1 336.403 2.319 20 0 EEADMM CC(C)(F)CCNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001589312651 1348981597 /nfs/dbraw/zinc/98/15/97/1348981597.db2.gz MDFNZSZUPYWUMN-UHFFFAOYSA-N -1 1 346.288 2.149 20 0 EEADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001589499270 1348996353 /nfs/dbraw/zinc/99/63/53/1348996353.db2.gz LEEHQSPVSZVSQC-UHFFFAOYSA-N -1 1 348.410 2.312 20 0 EEADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001589499270 1348996356 /nfs/dbraw/zinc/99/63/56/1348996356.db2.gz LEEHQSPVSZVSQC-UHFFFAOYSA-N -1 1 348.410 2.312 20 0 EEADMM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001589520881 1349000553 /nfs/dbraw/zinc/00/05/53/1349000553.db2.gz KBILGDODGGVFBI-SWLSCSKDSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)[C@H]1OCCC[C@H]1CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1 ZINC001589520881 1349000559 /nfs/dbraw/zinc/00/05/59/1349000559.db2.gz KBILGDODGGVFBI-SWLSCSKDSA-N -1 1 343.435 2.397 20 0 EEADMM CC(C)Oc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001589754389 1349030167 /nfs/dbraw/zinc/03/01/67/1349030167.db2.gz RVIXYKKGGLSRFN-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM CC(C)Oc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001589754389 1349030171 /nfs/dbraw/zinc/03/01/71/1349030171.db2.gz RVIXYKKGGLSRFN-UHFFFAOYSA-N -1 1 325.376 2.099 20 0 EEADMM CC(C)c1ncsc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001589778132 1349038241 /nfs/dbraw/zinc/03/82/41/1349038241.db2.gz WMLWCAWBEOVTMH-UHFFFAOYSA-N -1 1 334.430 2.438 20 0 EEADMM CC(C)n1c2ccccc2nc1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001589781084 1349038850 /nfs/dbraw/zinc/03/88/50/1349038850.db2.gz DPQALYJBPJUGPT-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)n1c2ccccc2nc1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001589781084 1349038852 /nfs/dbraw/zinc/03/88/52/1349038852.db2.gz DPQALYJBPJUGPT-UHFFFAOYSA-N -1 1 348.370 2.445 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001589779358 1349039593 /nfs/dbraw/zinc/03/95/93/1349039593.db2.gz YICODNGRTSXGJC-MRVPVSSYSA-N -1 1 346.322 2.430 20 0 EEADMM CC(C)c1noc([C@@H](C)OC(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001589779358 1349039595 /nfs/dbraw/zinc/03/95/95/1349039595.db2.gz YICODNGRTSXGJC-MRVPVSSYSA-N -1 1 346.322 2.430 20 0 EEADMM C[C@@H](CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001589794623 1349044852 /nfs/dbraw/zinc/04/48/52/1349044852.db2.gz PIBOALLMDRFZLI-BQBZGAKWSA-N -1 1 342.812 2.120 20 0 EEADMM C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001589820587 1349049739 /nfs/dbraw/zinc/04/97/39/1349049739.db2.gz JSNCJCSAFGISNW-LLVKDONJSA-N -1 1 342.428 2.464 20 0 EEADMM C[C@H](CCCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001589820587 1349049742 /nfs/dbraw/zinc/04/97/42/1349049742.db2.gz JSNCJCSAFGISNW-LLVKDONJSA-N -1 1 342.428 2.464 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC001589939249 1349069324 /nfs/dbraw/zinc/06/93/24/1349069324.db2.gz QYVMKKBXEMPZEW-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC001589939249 1349069332 /nfs/dbraw/zinc/06/93/32/1349069332.db2.gz QYVMKKBXEMPZEW-QMMMGPOBSA-N -1 1 345.313 2.423 20 0 EEADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1)c1ccccc1 ZINC001589944430 1349072245 /nfs/dbraw/zinc/07/22/45/1349072245.db2.gz JBZUJTLEMPWEAV-SECBINFHSA-N -1 1 328.763 2.406 20 0 EEADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)[C@@H](O)c1ccccc1 ZINC001589980076 1349090319 /nfs/dbraw/zinc/09/03/19/1349090319.db2.gz HGTYMMGENVSZMX-ZUZCIYMTSA-N -1 1 337.387 2.068 20 0 EEADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)[C@@H](O)c1ccccc1 ZINC001589980076 1349090326 /nfs/dbraw/zinc/09/03/26/1349090326.db2.gz HGTYMMGENVSZMX-ZUZCIYMTSA-N -1 1 337.387 2.068 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001590120754 1349162753 /nfs/dbraw/zinc/16/27/53/1349162753.db2.gz BZSLELNKZPYRQJ-QWHCGFSZSA-N -1 1 337.387 2.315 20 0 EEADMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001590120754 1349162764 /nfs/dbraw/zinc/16/27/64/1349162764.db2.gz BZSLELNKZPYRQJ-QWHCGFSZSA-N -1 1 337.387 2.315 20 0 EEADMM C[C@@H]1[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC001590165582 1349181465 /nfs/dbraw/zinc/18/14/65/1349181465.db2.gz NCLFVHDMNPXDJV-XZJROXQQSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@@H]1[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC001590165582 1349181471 /nfs/dbraw/zinc/18/14/71/1349181471.db2.gz NCLFVHDMNPXDJV-XZJROXQQSA-N -1 1 334.383 2.274 20 0 EEADMM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001590191287 1349192894 /nfs/dbraw/zinc/19/28/94/1349192894.db2.gz HKGVHAATJOXJOL-MGPLVRAMSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001590191287 1349192899 /nfs/dbraw/zinc/19/28/99/1349192899.db2.gz HKGVHAATJOXJOL-MGPLVRAMSA-N -1 1 349.460 2.235 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)[C@@H]1c1ccccc1 ZINC001590294460 1349250495 /nfs/dbraw/zinc/25/04/95/1349250495.db2.gz PTBRQKIWYHYAHO-ABAIWWIYSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)[C@@H]1c1ccccc1 ZINC001590294460 1349250502 /nfs/dbraw/zinc/25/05/02/1349250502.db2.gz PTBRQKIWYHYAHO-ABAIWWIYSA-N -1 1 335.371 2.487 20 0 EEADMM C[C@H]1CN(c2cccnc2-c2nnn[n-]2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001590313112 1349260318 /nfs/dbraw/zinc/26/03/18/1349260318.db2.gz BTBLDZNFOGDIFA-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM C[C@H]1CN(c2cccnc2-c2nn[n-]n2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001590313112 1349260321 /nfs/dbraw/zinc/26/03/21/1349260321.db2.gz BTBLDZNFOGDIFA-RYUDHWBXSA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001590483577 1349351767 /nfs/dbraw/zinc/35/17/67/1349351767.db2.gz YZOGHMUMGMLVEP-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CC[C@@H](c1cccc(OC)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001590483577 1349351776 /nfs/dbraw/zinc/35/17/76/1349351776.db2.gz YZOGHMUMGMLVEP-AWEZNQCLSA-N -1 1 325.376 2.253 20 0 EEADMM CCC1(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)CC1 ZINC001590488810 1349352228 /nfs/dbraw/zinc/35/22/28/1349352228.db2.gz YHTDVVBAPHSBOD-UHFFFAOYSA-N -1 1 337.181 2.153 20 0 EEADMM CCC1(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)CC1 ZINC001590488810 1349352232 /nfs/dbraw/zinc/35/22/32/1349352232.db2.gz YHTDVVBAPHSBOD-UHFFFAOYSA-N -1 1 337.181 2.153 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001590508996 1349360997 /nfs/dbraw/zinc/36/09/97/1349360997.db2.gz TZKSJTNXOUOHFN-NWDGAFQWSA-N -1 1 326.404 2.367 20 0 EEADMM CC[C@H]1CCC[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001590508996 1349361000 /nfs/dbraw/zinc/36/10/00/1349361000.db2.gz TZKSJTNXOUOHFN-NWDGAFQWSA-N -1 1 326.404 2.367 20 0 EEADMM CC[C@@H]1CCCCCN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001590511454 1349362337 /nfs/dbraw/zinc/36/23/37/1349362337.db2.gz LRBTZJQZLGBBEE-SNVBAGLBSA-N -1 1 341.462 2.272 20 0 EEADMM CCOC(=O)C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)CC(C)C ZINC001590766000 1349398118 /nfs/dbraw/zinc/39/81/18/1349398118.db2.gz CMNWJYLLXDEOEP-LBPRGKRZSA-N -1 1 332.408 2.289 20 0 EEADMM CCOC(=O)C[C@@H](CNc1cccc(-c2nn[n-]n2)n1)CC(C)C ZINC001590766000 1349398123 /nfs/dbraw/zinc/39/81/23/1349398123.db2.gz CMNWJYLLXDEOEP-LBPRGKRZSA-N -1 1 332.408 2.289 20 0 EEADMM CCc1nc(Oc2ccc(Br)nc2)cc(-c2nnn[n-]2)n1 ZINC001590925788 1349416059 /nfs/dbraw/zinc/41/60/59/1349416059.db2.gz XRLBTKJPXJORIF-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CCc1nc(Oc2ccc(Br)nc2)cc(-c2nn[n-]n2)n1 ZINC001590925788 1349416065 /nfs/dbraw/zinc/41/60/65/1349416065.db2.gz XRLBTKJPXJORIF-UHFFFAOYSA-N -1 1 348.164 2.169 20 0 EEADMM CNc1nnc(Sc2nc(-c3nn[n-]n3)c(Cl)s2)s1 ZINC001591225243 1349450772 /nfs/dbraw/zinc/45/07/72/1349450772.db2.gz FVOGZMUSJHRMDQ-UHFFFAOYSA-N -1 1 332.827 2.021 20 0 EEADMM COC(=O)c1sc2ccccc2c1Cn1ccnc1-c1nnn[n-]1 ZINC001591309666 1349460167 /nfs/dbraw/zinc/46/01/67/1349460167.db2.gz XTAQLLLPGGTOCI-UHFFFAOYSA-N -1 1 340.368 2.113 20 0 EEADMM COC(=O)c1sc2ccccc2c1Cn1ccnc1-c1nn[n-]n1 ZINC001591309666 1349460169 /nfs/dbraw/zinc/46/01/69/1349460169.db2.gz XTAQLLLPGGTOCI-UHFFFAOYSA-N -1 1 340.368 2.113 20 0 EEADMM COC[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccc(C)o1 ZINC001591382883 1349478396 /nfs/dbraw/zinc/47/83/96/1349478396.db2.gz PZFQXZUXBUCOII-LBPRGKRZSA-N -1 1 341.375 2.235 20 0 EEADMM COC[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccc(C)o1 ZINC001591382883 1349478399 /nfs/dbraw/zinc/47/83/99/1349478399.db2.gz PZFQXZUXBUCOII-LBPRGKRZSA-N -1 1 341.375 2.235 20 0 EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001591642786 1349520275 /nfs/dbraw/zinc/52/02/75/1349520275.db2.gz KPMRUZMUASFMBV-ZDUSSCGKSA-N -1 1 339.355 2.194 20 0 EEADMM COc1cccc2c1CC[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001591642786 1349520281 /nfs/dbraw/zinc/52/02/81/1349520281.db2.gz KPMRUZMUASFMBV-ZDUSSCGKSA-N -1 1 339.355 2.194 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC001591643485 1349520319 /nfs/dbraw/zinc/52/03/19/1349520319.db2.gz MCYWHKJHVCNJHG-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM COc1cccc2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC001591643485 1349520322 /nfs/dbraw/zinc/52/03/22/1349520322.db2.gz MCYWHKJHVCNJHG-UHFFFAOYSA-N -1 1 341.396 2.135 20 0 EEADMM Cc1cc(N[C@H](C)c2cnn(CC3CCC3)c2)cc(-c2nnn[n-]2)n1 ZINC001592034408 1349586695 /nfs/dbraw/zinc/58/66/95/1349586695.db2.gz KLISRDMNOLUXBM-GFCCVEGCSA-N -1 1 338.419 2.162 20 0 EEADMM Cc1cc(N[C@H](C)c2cnn(CC3CCC3)c2)cc(-c2nn[n-]n2)n1 ZINC001592034408 1349586701 /nfs/dbraw/zinc/58/67/01/1349586701.db2.gz KLISRDMNOLUXBM-GFCCVEGCSA-N -1 1 338.419 2.162 20 0 EEADMM Cc1cc2c(cc1C)O[C@@H](C(=O)OCc1ccc(-c3nnn[n-]3)o1)C2 ZINC001592071292 1349589270 /nfs/dbraw/zinc/58/92/70/1349589270.db2.gz SLPJBNRCCHYOEL-OAHLLOKOSA-N -1 1 340.339 2.123 20 0 EEADMM Cc1cc2c(cc1C)O[C@@H](C(=O)OCc1ccc(-c3nn[n-]n3)o1)C2 ZINC001592071292 1349589272 /nfs/dbraw/zinc/58/92/72/1349589272.db2.gz SLPJBNRCCHYOEL-OAHLLOKOSA-N -1 1 340.339 2.123 20 0 EEADMM Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nn[n-]n2)c1C ZINC001592232902 1349613527 /nfs/dbraw/zinc/61/35/27/1349613527.db2.gz SHMQKLFDTOJWOU-UHFFFAOYSA-N -1 1 349.441 2.370 20 0 EEADMM Cc1cnn(-c2ccccc2)c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001592301165 1349618404 /nfs/dbraw/zinc/61/84/04/1349618404.db2.gz BDJXIUFWHXCXMG-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1cnn(-c2ccccc2)c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001592301165 1349618408 /nfs/dbraw/zinc/61/84/08/1349618408.db2.gz BDJXIUFWHXCXMG-UHFFFAOYSA-N -1 1 335.327 2.206 20 0 EEADMM Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)n3)cc2)c1 ZINC001592301857 1349618649 /nfs/dbraw/zinc/61/86/49/1349618649.db2.gz ZTPDREXJXJIROG-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)n3)cc2)c1 ZINC001592301857 1349618650 /nfs/dbraw/zinc/61/86/50/1349618650.db2.gz ZTPDREXJXJIROG-UHFFFAOYSA-N -1 1 346.354 2.008 20 0 EEADMM Cc1csc([C@@H]2CCN(c3nc(-c4nn[n-]n4)ccc3C)C2)n1 ZINC001592313053 1349619641 /nfs/dbraw/zinc/61/96/41/1349619641.db2.gz OYIAZSXBKFKZOI-LLVKDONJSA-N -1 1 327.417 2.329 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001592358515 1349624043 /nfs/dbraw/zinc/62/40/43/1349624043.db2.gz LPSHMMMYTDDDMY-UHFFFAOYSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nc(C2CC2)ccc1C(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001592358515 1349624045 /nfs/dbraw/zinc/62/40/45/1349624045.db2.gz LPSHMMMYTDDDMY-UHFFFAOYSA-N -1 1 342.384 2.261 20 0 EEADMM Cc1nsc(NC(=O)c2oc(C3CC3)nc2C)c1-c1nnn[n-]1 ZINC001592356883 1349624409 /nfs/dbraw/zinc/62/44/09/1349624409.db2.gz VLLWAYWVSLXHMR-UHFFFAOYSA-N -1 1 331.361 2.058 20 0 EEADMM Cc1nsc(NC(=O)c2oc(C3CC3)nc2C)c1-c1nn[n-]n1 ZINC001592356883 1349624416 /nfs/dbraw/zinc/62/44/16/1349624416.db2.gz VLLWAYWVSLXHMR-UHFFFAOYSA-N -1 1 331.361 2.058 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001592394693 1349626977 /nfs/dbraw/zinc/62/69/77/1349626977.db2.gz UTMBIJHFYFUOEX-ZYHUDNBSSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1nc(N[C@@H]2CCO[C@@H](c3cccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001592394693 1349626978 /nfs/dbraw/zinc/62/69/78/1349626978.db2.gz UTMBIJHFYFUOEX-ZYHUDNBSSA-N -1 1 343.416 2.359 20 0 EEADMM Cc1nsc(N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001592472177 1349634598 /nfs/dbraw/zinc/63/45/98/1349634598.db2.gz UEYLHFZJDKFBHZ-XPUUQOCRSA-N -1 1 348.354 2.178 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC001592496507 1349637244 /nfs/dbraw/zinc/63/72/44/1349637244.db2.gz GBZZAEOCJVKMFY-CQSZACIVSA-N -1 1 345.403 2.045 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CC2(CCOCC2)[C@H]1C(C)C ZINC001592496507 1349637245 /nfs/dbraw/zinc/63/72/45/1349637245.db2.gz GBZZAEOCJVKMFY-CQSZACIVSA-N -1 1 345.403 2.045 20 0 EEADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC001592503231 1349639942 /nfs/dbraw/zinc/63/99/42/1349639942.db2.gz SIGOFYWZUIMTPV-GFCCVEGCSA-N -1 1 345.403 2.380 20 0 EEADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC001592503231 1349639944 /nfs/dbraw/zinc/63/99/44/1349639944.db2.gz SIGOFYWZUIMTPV-GFCCVEGCSA-N -1 1 345.403 2.380 20 0 EEADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ccco2)c(-c2nn[n-]n2)c1C ZINC001592509838 1349643428 /nfs/dbraw/zinc/64/34/28/1349643428.db2.gz YRDWPPPQQBDWJJ-SNVBAGLBSA-N -1 1 344.375 2.129 20 0 EEADMM Cc1onc(CC(=O)N(C)C[C@@H](C)C2CCCCC2)c1-c1nnn[n-]1 ZINC001592515207 1349644322 /nfs/dbraw/zinc/64/43/22/1349644322.db2.gz OVUYYAJMLOMNAO-LLVKDONJSA-N -1 1 346.435 2.380 20 0 EEADMM Cc1onc(CC(=O)N(C)C[C@@H](C)C2CCCCC2)c1-c1nn[n-]n1 ZINC001592515207 1349644324 /nfs/dbraw/zinc/64/43/24/1349644324.db2.gz OVUYYAJMLOMNAO-LLVKDONJSA-N -1 1 346.435 2.380 20 0 EEADMM Clc1ccc2c(n1)CC[C@H]2NCc1nc(-c2nn[n-]n2)cs1 ZINC001592533181 1349649807 /nfs/dbraw/zinc/64/98/07/1349649807.db2.gz MYQIFJGFNVWVBH-MRVPVSSYSA-N -1 1 333.808 2.149 20 0 EEADMM Clc1ccccc1-n1cc(Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001592535641 1349650569 /nfs/dbraw/zinc/65/05/69/1349650569.db2.gz JPWFIYCOZVUCCH-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccccc1-n1cc(Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001592535641 1349650571 /nfs/dbraw/zinc/65/05/71/1349650571.db2.gz JPWFIYCOZVUCCH-UHFFFAOYSA-N -1 1 339.750 2.239 20 0 EEADMM Clc1ccccc1C1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001592536173 1349651365 /nfs/dbraw/zinc/65/13/65/1349651365.db2.gz QQAVFPNYUCSVCM-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1ccccc1C1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001592536173 1349651367 /nfs/dbraw/zinc/65/13/67/1349651367.db2.gz QQAVFPNYUCSVCM-UHFFFAOYSA-N -1 1 327.779 2.454 20 0 EEADMM Clc1sc(N2CCC[C@H](c3cc[nH]n3)C2)nc1-c1nn[n-]n1 ZINC001592541664 1349653476 /nfs/dbraw/zinc/65/34/76/1349653476.db2.gz JDSGBAIZUNCXAV-ZETCQYMHSA-N -1 1 336.812 2.084 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001592618355 1349674279 /nfs/dbraw/zinc/67/42/79/1349674279.db2.gz RBVVGQJFKVFCNK-UHFFFAOYSA-N -1 1 336.277 2.194 20 0 EEADMM FC(F)(F)Oc1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001592618355 1349674282 /nfs/dbraw/zinc/67/42/82/1349674282.db2.gz RBVVGQJFKVFCNK-UHFFFAOYSA-N -1 1 336.277 2.194 20 0 EEADMM FC(F)(F)c1cnc(-c2nnn[n-]2)c(NC[C@@H]2CCC=CO2)c1 ZINC001592622756 1349676231 /nfs/dbraw/zinc/67/62/31/1349676231.db2.gz UDXRCSRHUYQJQN-VIFPVBQESA-N -1 1 326.282 2.385 20 0 EEADMM FC(F)(F)c1cnc(-c2nn[n-]n2)c(NC[C@@H]2CCC=CO2)c1 ZINC001592622756 1349676235 /nfs/dbraw/zinc/67/62/35/1349676235.db2.gz UDXRCSRHUYQJQN-VIFPVBQESA-N -1 1 326.282 2.385 20 0 EEADMM FC(F)(F)c1ccc2c(c1)CN(c1ncncc1-c1nn[n-]n1)CC2 ZINC001592622104 1349676916 /nfs/dbraw/zinc/67/69/16/1349676916.db2.gz OOYMPMSANWSBPQ-UHFFFAOYSA-N -1 1 347.304 2.238 20 0 EEADMM FC(F)(F)c1cccc(C2CN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001592622109 1349677102 /nfs/dbraw/zinc/67/71/02/1349677102.db2.gz OWEKWISPQAPVOZ-UHFFFAOYSA-N -1 1 347.304 2.279 20 0 EEADMM FC(F)(F)c1cccc(C2CN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001592622109 1349677106 /nfs/dbraw/zinc/67/71/06/1349677106.db2.gz OWEKWISPQAPVOZ-UHFFFAOYSA-N -1 1 347.304 2.279 20 0 EEADMM FC[C@@H]1CCCN(c2cc(Br)cnc2-c2nnn[n-]2)C1 ZINC001592631963 1349682122 /nfs/dbraw/zinc/68/21/22/1349682122.db2.gz LRYFHKLAMNWAKP-QMMMGPOBSA-N -1 1 341.188 2.210 20 0 EEADMM FC[C@@H]1CCCN(c2cc(Br)cnc2-c2nn[n-]n2)C1 ZINC001592631963 1349682125 /nfs/dbraw/zinc/68/21/25/1349682125.db2.gz LRYFHKLAMNWAKP-QMMMGPOBSA-N -1 1 341.188 2.210 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3cnc(-c4nnn[n-]4)cn3)n2)cc1 ZINC001592643796 1349689862 /nfs/dbraw/zinc/68/98/62/1349689862.db2.gz ZOGPEGPZYSMOTP-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc(-c2c[nH]c(Sc3cnc(-c4nn[n-]n4)cn3)n2)cc1 ZINC001592643796 1349689864 /nfs/dbraw/zinc/68/98/64/1349689864.db2.gz ZOGPEGPZYSMOTP-UHFFFAOYSA-N -1 1 340.347 2.337 20 0 EEADMM Fc1ccc(C2CCN(c3ncncc3-c3nn[n-]n3)CC2)cc1F ZINC001592648724 1349694264 /nfs/dbraw/zinc/69/42/64/1349694264.db2.gz WRBBHTCGBFGTEK-UHFFFAOYSA-N -1 1 343.341 2.319 20 0 EEADMM O=C(CCc1cccc(F)c1F)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592850421 1349720430 /nfs/dbraw/zinc/72/04/30/1349720430.db2.gz BKJFGXYYXVFRTE-UHFFFAOYSA-N -1 1 330.298 2.111 20 0 EEADMM O=C(CCc1cccc(F)c1F)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592850421 1349720432 /nfs/dbraw/zinc/72/04/32/1349720432.db2.gz BKJFGXYYXVFRTE-UHFFFAOYSA-N -1 1 330.298 2.111 20 0 EEADMM O=C(CSCc1ccc(-c2nnn[n-]2)o1)NCC1CCCCC1 ZINC001592903117 1349727494 /nfs/dbraw/zinc/72/74/94/1349727494.db2.gz GBICJYDFAKMXSM-UHFFFAOYSA-N -1 1 335.433 2.389 20 0 EEADMM O=C(CSCc1ccc(-c2nn[n-]n2)o1)NCC1CCCCC1 ZINC001592903117 1349727497 /nfs/dbraw/zinc/72/74/97/1349727497.db2.gz GBICJYDFAKMXSM-UHFFFAOYSA-N -1 1 335.433 2.389 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccsc1-c1nnn[n-]1 ZINC001592950321 1349729661 /nfs/dbraw/zinc/72/96/61/1349729661.db2.gz WGWNMFXPDZJMGE-RYUDHWBXSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1ccsc1-c1nn[n-]n1 ZINC001592950321 1349729664 /nfs/dbraw/zinc/72/96/64/1349729664.db2.gz WGWNMFXPDZJMGE-RYUDHWBXSA-N -1 1 333.417 2.006 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1coc(-c2nnn[n-]2)c1 ZINC001593078068 1349737178 /nfs/dbraw/zinc/73/71/78/1349737178.db2.gz DVTZTTDOOXWBNQ-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(NCCCc1ccc(Cl)cc1)c1coc(-c2nn[n-]n2)c1 ZINC001593078068 1349737181 /nfs/dbraw/zinc/73/71/81/1349737181.db2.gz DVTZTTDOOXWBNQ-UHFFFAOYSA-N -1 1 331.763 2.476 20 0 EEADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc2sccc2s1 ZINC001593146676 1349742299 /nfs/dbraw/zinc/74/22/99/1349742299.db2.gz ZBDKAPJZAOCEPO-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc2sccc2s1 ZINC001593146676 1349742304 /nfs/dbraw/zinc/74/23/04/1349742304.db2.gz ZBDKAPJZAOCEPO-UHFFFAOYSA-N -1 1 342.409 2.468 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CC[C@H](C2CC2)C1 ZINC001593263183 1349754734 /nfs/dbraw/zinc/75/47/34/1349754734.db2.gz HDUHQMVGJSWJNP-ZETCQYMHSA-N -1 1 339.812 2.240 20 0 EEADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)N1CCC=C(Cl)C1 ZINC001593263855 1349754866 /nfs/dbraw/zinc/75/48/66/1349754866.db2.gz GYGLVDXLRKTMQW-UHFFFAOYSA-N -1 1 346.203 2.337 20 0 EEADMM O=C(OC/C=C/Cl)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593286030 1349763260 /nfs/dbraw/zinc/76/32/60/1349763260.db2.gz AFRPAOMIDGYQMA-OWOJBTEDSA-N -1 1 333.657 2.190 20 0 EEADMM O=C(OCCSCc1ccccc1)c1ccnc(-c2nnn[n-]2)c1 ZINC001593291137 1349767275 /nfs/dbraw/zinc/76/72/75/1349767275.db2.gz YSNWVIGNBGTZRL-UHFFFAOYSA-N -1 1 341.396 2.352 20 0 EEADMM O=C(OCCSCc1ccccc1)c1ccnc(-c2nn[n-]n2)c1 ZINC001593291137 1349767277 /nfs/dbraw/zinc/76/72/77/1349767277.db2.gz YSNWVIGNBGTZRL-UHFFFAOYSA-N -1 1 341.396 2.352 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCO2)c1ccsc1-c1nnn[n-]1 ZINC001593292661 1349768179 /nfs/dbraw/zinc/76/81/79/1349768179.db2.gz HFQWGQPOPLIVRT-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM O=C(OCCc1ccc2c(c1)CCO2)c1ccsc1-c1nn[n-]n1 ZINC001593292661 1349768181 /nfs/dbraw/zinc/76/81/81/1349768181.db2.gz HFQWGQPOPLIVRT-UHFFFAOYSA-N -1 1 342.380 2.263 20 0 EEADMM O=C(O[C@@H]1CCOc2c(F)cc(F)cc21)c1ccc(-c2nn[n-]n2)o1 ZINC001593307929 1349776413 /nfs/dbraw/zinc/77/64/13/1349776413.db2.gz PXTMGEYDKQXXGT-SNVBAGLBSA-N -1 1 348.265 2.419 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1CCC(F)(F)CC1 ZINC001593329051 1349781404 /nfs/dbraw/zinc/78/14/04/1349781404.db2.gz DIVHXTFPOFLKTG-UHFFFAOYSA-N -1 1 329.257 2.016 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1CCC(F)(F)CC1 ZINC001593329051 1349781406 /nfs/dbraw/zinc/78/14/06/1349781406.db2.gz DIVHXTFPOFLKTG-UHFFFAOYSA-N -1 1 329.257 2.016 20 0 EEADMM O=C(c1cc(F)c(-c2nnn[n-]2)c(F)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593329353 1349782181 /nfs/dbraw/zinc/78/21/81/1349782181.db2.gz LYBPZJZXIINCME-ABAIWWIYSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1cc(F)c(-c2nn[n-]n2)c(F)c1)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001593329353 1349782186 /nfs/dbraw/zinc/78/21/86/1349782186.db2.gz LYBPZJZXIINCME-ABAIWWIYSA-N -1 1 345.353 2.406 20 0 EEADMM O=C(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H]1Cc1ccccc1 ZINC001593349887 1349788024 /nfs/dbraw/zinc/78/80/24/1349788024.db2.gz INKLCWNXTJPRPC-ZDUSSCGKSA-N -1 1 337.358 2.463 20 0 EEADMM O=C(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H]1Cc1ccccc1 ZINC001593349887 1349788027 /nfs/dbraw/zinc/78/80/27/1349788027.db2.gz INKLCWNXTJPRPC-ZDUSSCGKSA-N -1 1 337.358 2.463 20 0 EEADMM O=C(c1csc(-c2nn[n-]n2)c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC001593371002 1349791823 /nfs/dbraw/zinc/79/18/23/1349791823.db2.gz JIVXZWJUYWUETO-GFCCVEGCSA-N -1 1 325.344 2.190 20 0 EEADMM O=Cc1cc(Oc2nccnc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001593416421 1349798569 /nfs/dbraw/zinc/79/85/69/1349798569.db2.gz YZIHCJRXJCUPDX-UHFFFAOYSA-N -1 1 336.233 2.280 20 0 EEADMM O=c1cc(-c2nn[n-]n2)ccn1Cc1csc(-c2ccsc2)n1 ZINC001593493909 1349818831 /nfs/dbraw/zinc/81/88/31/1349818831.db2.gz LTDWSQDWOYMBMA-UHFFFAOYSA-N -1 1 342.409 2.262 20 0 EEADMM c1c(CSCc2ccnc(-c3nnn[n-]3)c2)nn2c1CCCC2 ZINC001593557503 1349848471 /nfs/dbraw/zinc/84/84/71/1349848471.db2.gz UZNRSZYTXDKLSJ-UHFFFAOYSA-N -1 1 327.417 2.228 20 0 EEADMM c1c(CSCc2ccnc(-c3nn[n-]n3)c2)nn2c1CCCC2 ZINC001593557503 1349848475 /nfs/dbraw/zinc/84/84/75/1349848475.db2.gz UZNRSZYTXDKLSJ-UHFFFAOYSA-N -1 1 327.417 2.228 20 0 EEADMM Cc1cc(C)cc(C2=CCN([C@@H]3CCN(CCC(=O)[O-])C3=O)CC2)c1 ZINC001600170184 1349984748 /nfs/dbraw/zinc/98/47/48/1349984748.db2.gz CDOILNYHVNARTI-GOSISDBHSA-N -1 1 342.439 2.468 20 0 EEADMM Cc1cc(NC(=O)c2cccc3nc(CO)[nH]c32)cc(C(=O)[O-])c1 ZINC001600276168 1350009072 /nfs/dbraw/zinc/00/90/72/1350009072.db2.gz CNBGRWNBBYUIAN-UHFFFAOYSA-N -1 1 325.324 2.314 20 0 EEADMM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001600357090 1350028878 /nfs/dbraw/zinc/02/88/78/1350028878.db2.gz ROLUONNQHSDKNA-HOCLYGCPSA-N -1 1 332.400 2.133 20 0 EEADMM Cc1ccc(CC2CCN(CC(=O)N[C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC001600403931 1350041729 /nfs/dbraw/zinc/04/17/29/1350041729.db2.gz FBMMFUIIUIMTAQ-IBGZPJMESA-N -1 1 346.471 2.475 20 0 EEADMM Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(C(=O)[O-])cn2)c(C)c1 ZINC001600468638 1350059182 /nfs/dbraw/zinc/05/91/82/1350059182.db2.gz NWMNKSRFMLTOQF-QGZVFWFLSA-N -1 1 344.411 2.268 20 0 EEADMM Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001600674499 1350114229 /nfs/dbraw/zinc/11/42/29/1350114229.db2.gz KBWJYQIXAHYRNL-AWEZNQCLSA-N -1 1 342.399 2.336 20 0 EEADMM Cn1cc([C@@H](N[C@H](C(=O)[O-])c2ccc(F)cc2)C2(CO)CCC2)cn1 ZINC001600941567 1350173298 /nfs/dbraw/zinc/17/32/98/1350173298.db2.gz WJMSEYYDYACWBM-JKSUJKDBSA-N -1 1 347.390 2.178 20 0 EEADMM O=C([O-])[C@]12CN(CC(=O)Nc3cc(F)ccc3F)C[C@H]1CCCC2 ZINC001601317418 1350256137 /nfs/dbraw/zinc/25/61/37/1350256137.db2.gz KUDYAFSRHCWTRN-PIGZYNQJSA-N -1 1 338.354 2.480 20 0 EEADMM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc3c(n2)CNCC3)cc1 ZINC001601609016 1350318615 /nfs/dbraw/zinc/31/86/15/1350318615.db2.gz GYJOVTYGIGTILP-LSDHHAIUSA-N -1 1 337.379 2.168 20 0 EEADMM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)c1 ZINC001601615042 1350320232 /nfs/dbraw/zinc/32/02/32/1350320232.db2.gz BVKXDNUTCAUDKJ-UONOGXRCSA-N -1 1 335.429 2.086 20 0 EEADMM O=C([O-])c1cccc2nc(NC(=O)c3ccc4c(c3)OCO4)[nH]c21 ZINC001601632495 1350324308 /nfs/dbraw/zinc/32/43/08/1350324308.db2.gz KLNBBGYDLPWHBA-UHFFFAOYSA-N -1 1 325.280 2.242 20 0 EEADMM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nccn2CC(F)F)C1 ZINC001601727730 1350349385 /nfs/dbraw/zinc/34/93/85/1350349385.db2.gz CRQYAARZKXTCPF-KRWDZBQOSA-N -1 1 335.354 2.377 20 0 EEADMM O=C([O-])[C@@H]1CCN(CCS(=O)(=O)C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC001601825561 1350373757 /nfs/dbraw/zinc/37/37/57/1350373757.db2.gz DVPRYLJHRPEPSD-ARFHVFGLSA-N -1 1 343.489 2.309 20 0 EEADMM O=C([O-])C[C@]1(NCc2sc(N3CCCC3)nc2Cl)CCOC1 ZINC001601937730 1350401816 /nfs/dbraw/zinc/40/18/16/1350401816.db2.gz BKMHAWPFORTLNX-CQSZACIVSA-N -1 1 345.852 2.120 20 0 EEADMM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cncc2nc[nH]c21 ZINC001601972190 1350408015 /nfs/dbraw/zinc/40/80/15/1350408015.db2.gz RURGQTGIJYDZDP-ZDUSSCGKSA-N -1 1 338.367 2.164 20 0 EEADMM O=C([O-])c1cc(CNCCNc2ncc(Cl)cc2Cl)on1 ZINC001602260091 1350480489 /nfs/dbraw/zinc/48/04/89/1350480489.db2.gz ODARBCSQOXBBDU-UHFFFAOYSA-N -1 1 331.159 2.276 20 0 EEADMM O=C([O-])c1ccc(CN2CCN(CCc3ccncc3)CC2)c(F)c1 ZINC001602339315 1350498341 /nfs/dbraw/zinc/49/83/41/1350498341.db2.gz WFOCBFHVDMYHDZ-UHFFFAOYSA-N -1 1 343.402 2.279 20 0 EEADMM O=C([O-])c1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)s1 ZINC001602371497 1350505538 /nfs/dbraw/zinc/50/55/38/1350505538.db2.gz HOZVBZFULBPNSY-CQSZACIVSA-N -1 1 332.425 2.302 20 0 EEADMM O=C([O-])c1cccc2c1OCCN(C(=O)[C@H]1CCN1C1CCCC1)C2 ZINC001602460342 1350524226 /nfs/dbraw/zinc/52/42/26/1350524226.db2.gz DQGCZTUFGMKMQP-MRXNPFEDSA-N -1 1 344.411 2.123 20 0 EEADMM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC001602625000 1350560641 /nfs/dbraw/zinc/56/06/41/1350560641.db2.gz PYJPNRVVBCJIGY-OAHLLOKOSA-N -1 1 337.738 2.369 20 0 EEADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001602658691 1350567200 /nfs/dbraw/zinc/56/72/00/1350567200.db2.gz JCESIKMFGVTQEG-WLTAIBSBSA-N -1 1 342.754 2.035 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001602906001 1350603042 /nfs/dbraw/zinc/60/30/42/1350603042.db2.gz KABDTDNYRQGODH-QXMHVHEDSA-N -1 1 347.382 2.039 20 0 EEADMM CC(=Cc1ccccn1)C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001602906001 1350603046 /nfs/dbraw/zinc/60/30/46/1350603046.db2.gz KABDTDNYRQGODH-QXMHVHEDSA-N -1 1 347.382 2.039 20 0 EEADMM CC(=O)[C@H](C)CCCCC(=O)OCc1nc(-c2nnn[n-]2)cs1 ZINC001602912282 1350604863 /nfs/dbraw/zinc/60/48/63/1350604863.db2.gz PUTLLSLXDWKMAA-SECBINFHSA-N -1 1 337.405 2.152 20 0 EEADMM CC(=O)[C@H](C)CCCCC(=O)OCc1nc(-c2nn[n-]n2)cs1 ZINC001602912282 1350604865 /nfs/dbraw/zinc/60/48/65/1350604865.db2.gz PUTLLSLXDWKMAA-SECBINFHSA-N -1 1 337.405 2.152 20 0 EEADMM CC(C)(O)COc1ccc(NCc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001603172228 1350655315 /nfs/dbraw/zinc/65/53/15/1350655315.db2.gz DYKOHGIBOQXUEV-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM CC(C)(O)COc1ccc(NCc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001603172228 1350655320 /nfs/dbraw/zinc/65/53/20/1350655320.db2.gz DYKOHGIBOQXUEV-UHFFFAOYSA-N -1 1 340.387 2.024 20 0 EEADMM CC(C)[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)nc1)c1ccccn1 ZINC001603231970 1350667385 /nfs/dbraw/zinc/66/73/85/1350667385.db2.gz DXZHFLXMDWFGJC-INIZCTEOSA-N -1 1 338.371 2.140 20 0 EEADMM CC(C)[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)nc1)c1ccccn1 ZINC001603231970 1350667389 /nfs/dbraw/zinc/66/73/89/1350667389.db2.gz DXZHFLXMDWFGJC-INIZCTEOSA-N -1 1 338.371 2.140 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2ccsc2-c2nnn[n-]2)CC12CCOCC2 ZINC001603251902 1350672210 /nfs/dbraw/zinc/67/22/10/1350672210.db2.gz KSQZBCHOLMWWKS-ZDUSSCGKSA-N -1 1 347.444 2.205 20 0 EEADMM CC(C)[C@@H]1N(C(=O)c2ccsc2-c2nn[n-]n2)CC12CCOCC2 ZINC001603251902 1350672211 /nfs/dbraw/zinc/67/22/11/1350672211.db2.gz KSQZBCHOLMWWKS-ZDUSSCGKSA-N -1 1 347.444 2.205 20 0 EEADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001603463167 1350709086 /nfs/dbraw/zinc/70/90/86/1350709086.db2.gz FRWZHXMYUCEEKG-MFKMUULPSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001603463167 1350709090 /nfs/dbraw/zinc/70/90/90/1350709090.db2.gz FRWZHXMYUCEEKG-MFKMUULPSA-N -1 1 343.412 2.170 20 0 EEADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001603552143 1350719262 /nfs/dbraw/zinc/71/92/62/1350719262.db2.gz RJNDUGVJBVSHOQ-SNVBAGLBSA-N -1 1 349.441 2.010 20 0 EEADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001603552143 1350719266 /nfs/dbraw/zinc/71/92/66/1350719266.db2.gz RJNDUGVJBVSHOQ-SNVBAGLBSA-N -1 1 349.441 2.010 20 0 EEADMM C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001603576155 1350722705 /nfs/dbraw/zinc/72/27/05/1350722705.db2.gz AOLNTMBYZWRBSF-LLVKDONJSA-N -1 1 341.346 2.295 20 0 EEADMM CC1(C)CC[C@@H](n2cc(-c3nn[n-]n3)c3ccsc3c2=O)C1=O ZINC001603772715 1350763134 /nfs/dbraw/zinc/76/31/34/1350763134.db2.gz SEHQWHAWYRSGFN-SNVBAGLBSA-N -1 1 329.385 2.173 20 0 EEADMM CC1(C)CC[C@@H](CNC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)O1 ZINC001603771781 1350763174 /nfs/dbraw/zinc/76/31/74/1350763174.db2.gz GNIWLFXXENSTOL-JTQLQIEISA-N -1 1 340.387 2.035 20 0 EEADMM CC1(C)CCC[C@H]1CCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001603774014 1350764332 /nfs/dbraw/zinc/76/43/32/1350764332.db2.gz PYALOHRMJXZEQC-JTQLQIEISA-N -1 1 349.464 2.339 20 0 EEADMM CC1(C)CCC[C@H]1CCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001603774014 1350764338 /nfs/dbraw/zinc/76/43/38/1350764338.db2.gz PYALOHRMJXZEQC-JTQLQIEISA-N -1 1 349.464 2.339 20 0 EEADMM CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001603784441 1350766754 /nfs/dbraw/zinc/76/67/54/1350766754.db2.gz JGQCQEFCISRPRG-QLFBSQMISA-N -1 1 325.453 2.002 20 0 EEADMM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001603809197 1350774012 /nfs/dbraw/zinc/77/40/12/1350774012.db2.gz KUIZZIRDYPDMAG-UHFFFAOYSA-N -1 1 331.372 2.355 20 0 EEADMM CC1(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CC(F)(F)C1 ZINC001603813867 1350774464 /nfs/dbraw/zinc/77/44/64/1350774464.db2.gz FHVDBEGBHULXFO-UHFFFAOYSA-N -1 1 329.257 2.063 20 0 EEADMM CC1(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC(F)(F)C1 ZINC001603813867 1350774466 /nfs/dbraw/zinc/77/44/66/1350774466.db2.gz FHVDBEGBHULXFO-UHFFFAOYSA-N -1 1 329.257 2.063 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001603830951 1350778116 /nfs/dbraw/zinc/77/81/16/1350778116.db2.gz RIMPLHKDBZWWAR-YUMQZZPRSA-N -1 1 341.297 2.066 20 0 EEADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001603830951 1350778118 /nfs/dbraw/zinc/77/81/18/1350778118.db2.gz RIMPLHKDBZWWAR-YUMQZZPRSA-N -1 1 341.297 2.066 20 0 EEADMM C[C@@H]1CN(c2ccnc(-c3nnn[n-]3)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001603941751 1350809358 /nfs/dbraw/zinc/80/93/58/1350809358.db2.gz SIKPQRTYTQTHMW-YPMHNXCESA-N -1 1 344.419 2.066 20 0 EEADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001603941751 1350809359 /nfs/dbraw/zinc/80/93/59/1350809359.db2.gz SIKPQRTYTQTHMW-YPMHNXCESA-N -1 1 344.419 2.066 20 0 EEADMM CC[C@@H](C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1CCC(C)CC1 ZINC001603979037 1350818864 /nfs/dbraw/zinc/81/88/64/1350818864.db2.gz NNFXNSWURMPYCN-HTAVTVPLSA-N -1 1 331.424 2.391 20 0 EEADMM CC[C@@H](C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1CCC(C)CC1 ZINC001603979037 1350818865 /nfs/dbraw/zinc/81/88/65/1350818865.db2.gz NNFXNSWURMPYCN-HTAVTVPLSA-N -1 1 331.424 2.391 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001604070749 1350846791 /nfs/dbraw/zinc/84/67/91/1350846791.db2.gz HMWLQEPUPHYZAD-CYBMUJFWSA-N -1 1 330.392 2.328 20 0 EEADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001604070749 1350846792 /nfs/dbraw/zinc/84/67/92/1350846792.db2.gz HMWLQEPUPHYZAD-CYBMUJFWSA-N -1 1 330.392 2.328 20 0 EEADMM C[C@H](CCOc1ccccc1)C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC001604146926 1350873938 /nfs/dbraw/zinc/87/39/38/1350873938.db2.gz CLAZHNGUUJKDCG-HZPDHXFCSA-N -1 1 348.443 2.099 20 0 EEADMM CCSC1(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001604479159 1350946538 /nfs/dbraw/zinc/94/65/38/1350946538.db2.gz TZUHEZUEMLNQOI-UHFFFAOYSA-N -1 1 339.371 2.160 20 0 EEADMM CCSC1(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001604479159 1350946541 /nfs/dbraw/zinc/94/65/41/1350946541.db2.gz TZUHEZUEMLNQOI-UHFFFAOYSA-N -1 1 339.371 2.160 20 0 EEADMM CCc1cc(CCCOC(=O)c2sccc2-c2nn[n-]n2)on1 ZINC001604516994 1350953351 /nfs/dbraw/zinc/95/33/51/1350953351.db2.gz PZQSVPIFULTZDY-UHFFFAOYSA-N -1 1 333.373 2.268 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001604631504 1350973418 /nfs/dbraw/zinc/97/34/18/1350973418.db2.gz PIQNIEWGENROFS-UHFFFAOYSA-N -1 1 335.371 2.378 20 0 EEADMM CN(C(=O)C1CC1)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001604631504 1350973420 /nfs/dbraw/zinc/97/34/20/1350973420.db2.gz PIQNIEWGENROFS-UHFFFAOYSA-N -1 1 335.371 2.378 20 0 EEADMM COC[C@H](CC(C)(C)C)NC(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001605052907 1351067423 /nfs/dbraw/zinc/06/74/23/1351067423.db2.gz PMISVQZEIOJCPZ-JTQLQIEISA-N -1 1 335.383 2.187 20 0 EEADMM COC[C@H](CC(C)(C)C)NC(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001605052907 1351067427 /nfs/dbraw/zinc/06/74/27/1351067427.db2.gz PMISVQZEIOJCPZ-JTQLQIEISA-N -1 1 335.383 2.187 20 0 EEADMM COc1cc(C)ccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001605203060 1351102276 /nfs/dbraw/zinc/10/22/76/1351102276.db2.gz SDWNWMNLATXSJY-UHFFFAOYSA-N -1 1 339.359 2.037 20 0 EEADMM COc1ncc(NC(=O)N[C@H]2CCC[C@H](C)CC2)cc1-c1nn[n-]n1 ZINC001605347068 1351142762 /nfs/dbraw/zinc/14/27/62/1351142762.db2.gz MQMAQDPMVBACQQ-QWRGUYRKSA-N -1 1 345.407 2.361 20 0 EEADMM CS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001605369669 1351145588 /nfs/dbraw/zinc/14/55/88/1351145588.db2.gz BLHMPUWVGHMVGC-ZJUUUORDSA-N -1 1 335.408 2.362 20 0 EEADMM CS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001605369669 1351145592 /nfs/dbraw/zinc/14/55/92/1351145592.db2.gz BLHMPUWVGHMVGC-ZJUUUORDSA-N -1 1 335.408 2.362 20 0 EEADMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(C(=O)[O-])oc1CC ZINC001605536078 1351183754 /nfs/dbraw/zinc/18/37/54/1351183754.db2.gz WNRSSRALNGECFN-STQMWFEESA-N -1 1 339.388 2.083 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c(C)o1 ZINC001605635849 1351206627 /nfs/dbraw/zinc/20/66/27/1351206627.db2.gz OXELWXZUQKQIDK-SECBINFHSA-N -1 1 327.348 2.354 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c(C)o1 ZINC001605635849 1351206630 /nfs/dbraw/zinc/20/66/30/1351206630.db2.gz OXELWXZUQKQIDK-SECBINFHSA-N -1 1 327.348 2.354 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccnc(-c3nnn[n-]3)c2)c(C)s1 ZINC001605635356 1351206826 /nfs/dbraw/zinc/20/68/26/1351206826.db2.gz JWMNMSQZPFTNFJ-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc([C@@H](C)NC(=O)c2ccnc(-c3nn[n-]n3)c2)c(C)s1 ZINC001605635356 1351206828 /nfs/dbraw/zinc/20/68/28/1351206828.db2.gz JWMNMSQZPFTNFJ-SECBINFHSA-N -1 1 328.401 2.431 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001605681267 1351215324 /nfs/dbraw/zinc/21/53/24/1351215324.db2.gz FPEZTVBOMKKEQX-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM Cc1cc(F)cc([C@@]2(F)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001605681267 1351215326 /nfs/dbraw/zinc/21/53/26/1351215326.db2.gz FPEZTVBOMKKEQX-MRXNPFEDSA-N -1 1 343.341 2.179 20 0 EEADMM CCc1nc([C@@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n[nH]1 ZINC001605842664 1351233952 /nfs/dbraw/zinc/23/39/52/1351233952.db2.gz QHFUVSRXRNVIFW-ZJUUUORDSA-N -1 1 335.433 2.462 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cc(C)nc(-c4nnn[n-]4)c3)C2)cc1 ZINC001605864578 1351240477 /nfs/dbraw/zinc/24/04/77/1351240477.db2.gz IRUQAZRPSZAJRU-OAHLLOKOSA-N -1 1 349.442 2.381 20 0 EEADMM Cc1ccc(N2CCC[C@@H](Nc3cc(C)nc(-c4nn[n-]n4)c3)C2)cc1 ZINC001605864578 1351240482 /nfs/dbraw/zinc/24/04/82/1351240482.db2.gz IRUQAZRPSZAJRU-OAHLLOKOSA-N -1 1 349.442 2.381 20 0 EEADMM Cc1ccc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)nc1-c1nnn[n-]1 ZINC001605871694 1351242441 /nfs/dbraw/zinc/24/24/41/1351242441.db2.gz IEISDBGKXSEQGD-UWVGGRQHSA-N -1 1 342.325 2.482 20 0 EEADMM Cc1ccc(N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)nc1-c1nn[n-]n1 ZINC001605871694 1351242442 /nfs/dbraw/zinc/24/24/42/1351242442.db2.gz IEISDBGKXSEQGD-UWVGGRQHSA-N -1 1 342.325 2.482 20 0 EEADMM CCn1c(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc2ccccc21 ZINC001605905958 1351251125 /nfs/dbraw/zinc/25/11/25/1351251125.db2.gz LSSOVGJQTGQURH-AWEZNQCLSA-N -1 1 343.427 2.282 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001606104630 1351271913 /nfs/dbraw/zinc/27/19/13/1351271913.db2.gz BLEOJBSXCUDVPN-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001606104630 1351271914 /nfs/dbraw/zinc/27/19/14/1351271914.db2.gz BLEOJBSXCUDVPN-VIFPVBQESA-N -1 1 327.396 2.090 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001606129045 1351276222 /nfs/dbraw/zinc/27/62/22/1351276222.db2.gz AKCYVTGIISZIEF-SECBINFHSA-N -1 1 341.375 2.023 20 0 EEADMM Cc1noc(C)c1[C@H](C)CC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001606129045 1351276225 /nfs/dbraw/zinc/27/62/25/1351276225.db2.gz AKCYVTGIISZIEF-SECBINFHSA-N -1 1 341.375 2.023 20 0 EEADMM O=C(C=Cc1ccsc1)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001606487359 1351310790 /nfs/dbraw/zinc/31/07/90/1351310790.db2.gz NFJYUDNJXLRSLY-DAFODLJHSA-N -1 1 327.373 2.181 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc(F)c1-c1nnn[n-]1 ZINC001606633071 1351334844 /nfs/dbraw/zinc/33/48/44/1351334844.db2.gz KCDVRUSPAPMBRF-UKRRQHHQSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc(F)c1-c1nn[n-]n1 ZINC001606633071 1351334846 /nfs/dbraw/zinc/33/48/46/1351334846.db2.gz KCDVRUSPAPMBRF-UKRRQHHQSA-N -1 1 345.378 2.083 20 0 EEADMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(-c2nnn[n-]2)n1 ZINC001606655714 1351337715 /nfs/dbraw/zinc/33/77/15/1351337715.db2.gz CTIHXRILNQDKPF-HUUCEWRRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(-c2nn[n-]n2)n1 ZINC001606655714 1351337719 /nfs/dbraw/zinc/33/77/19/1351337719.db2.gz CTIHXRILNQDKPF-HUUCEWRRSA-N -1 1 348.410 2.403 20 0 EEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001606670030 1351340222 /nfs/dbraw/zinc/34/02/22/1351340222.db2.gz ILXFWSBQMINPPN-NSHDSACASA-N -1 1 343.318 2.243 20 0 EEADMM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)o1 ZINC001606670030 1351340225 /nfs/dbraw/zinc/34/02/25/1351340225.db2.gz ILXFWSBQMINPPN-NSHDSACASA-N -1 1 343.318 2.243 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccsc1-c1nnn[n-]1 ZINC001606723308 1351347135 /nfs/dbraw/zinc/34/71/35/1351347135.db2.gz PLLZRSAUGHFPJM-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1ccsc1-c1nn[n-]n1 ZINC001606723308 1351347137 /nfs/dbraw/zinc/34/71/37/1351347137.db2.gz PLLZRSAUGHFPJM-JTQLQIEISA-N -1 1 333.417 2.150 20 0 EEADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001606795337 1351357362 /nfs/dbraw/zinc/35/73/62/1351357362.db2.gz VGGFRRPTLBWSEW-KOLCDFICSA-N -1 1 333.342 2.311 20 0 EEADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001606795337 1351357364 /nfs/dbraw/zinc/35/73/64/1351357364.db2.gz VGGFRRPTLBWSEW-KOLCDFICSA-N -1 1 333.342 2.311 20 0 EEADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1CCCC12CC2 ZINC001606816708 1351360083 /nfs/dbraw/zinc/36/00/83/1351360083.db2.gz PTQOIBJLAZLWHA-SNVBAGLBSA-N -1 1 333.342 2.341 20 0 EEADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1CCCC12CC2 ZINC001606816708 1351360085 /nfs/dbraw/zinc/36/00/85/1351360085.db2.gz PTQOIBJLAZLWHA-SNVBAGLBSA-N -1 1 333.342 2.341 20 0 EEADMM O=C(NCc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)n1 ZINC001606832138 1351363702 /nfs/dbraw/zinc/36/37/02/1351363702.db2.gz CKZBXVTVMIJYMN-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(NCc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)n1 ZINC001606832138 1351363704 /nfs/dbraw/zinc/36/37/04/1351363704.db2.gz CKZBXVTVMIJYMN-UHFFFAOYSA-N -1 1 330.351 2.345 20 0 EEADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(-c2nn[nH]n2)cc1F ZINC001606902340 1351372738 /nfs/dbraw/zinc/37/27/38/1351372738.db2.gz KHVCXMZAZFLQSZ-UHFFFAOYSA-N -1 1 335.245 2.242 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606918440 1351375773 /nfs/dbraw/zinc/37/57/73/1351375773.db2.gz VCYBUTAKLCHHDS-CYBMUJFWSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606918440 1351375775 /nfs/dbraw/zinc/37/57/75/1351375775.db2.gz VCYBUTAKLCHHDS-CYBMUJFWSA-N -1 1 336.355 2.018 20 0 EEADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001606933086 1351379156 /nfs/dbraw/zinc/37/91/56/1351379156.db2.gz GEVBTVHRLUWTSW-MRVPVSSYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001606933086 1351379157 /nfs/dbraw/zinc/37/91/57/1351379157.db2.gz GEVBTVHRLUWTSW-MRVPVSSYSA-N -1 1 341.297 2.068 20 0 EEADMM O=C(OCc1cccnc1-c1nnn[n-]1)c1c(F)ccc(F)c1F ZINC001606981766 1351391518 /nfs/dbraw/zinc/39/15/18/1351391518.db2.gz DOJCURUTELKXBE-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(OCc1cccnc1-c1nn[n-]n1)c1c(F)ccc(F)c1F ZINC001606981766 1351391522 /nfs/dbraw/zinc/39/15/22/1351391522.db2.gz DOJCURUTELKXBE-UHFFFAOYSA-N -1 1 335.245 2.036 20 0 EEADMM O=C(c1cccc(OCc2ccc(-c3nnn[n-]3)o2)c1)N1CCCC1 ZINC001607023241 1351399999 /nfs/dbraw/zinc/39/99/99/1351399999.db2.gz MYYUYZWMINKACG-UHFFFAOYSA-N -1 1 339.355 2.275 20 0 EEADMM O=C(c1cccc(OCc2ccc(-c3nn[n-]n3)o2)c1)N1CCCC1 ZINC001607023241 1351400003 /nfs/dbraw/zinc/40/00/03/1351400003.db2.gz MYYUYZWMINKACG-UHFFFAOYSA-N -1 1 339.355 2.275 20 0 EEADMM O=C(c1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1c1ccsc1 ZINC001607026002 1351400281 /nfs/dbraw/zinc/40/02/81/1351400281.db2.gz SRQISHATPDWHHQ-CYBMUJFWSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1c1ccsc1 ZINC001607026002 1351400284 /nfs/dbraw/zinc/40/02/84/1351400284.db2.gz SRQISHATPDWHHQ-CYBMUJFWSA-N -1 1 326.385 2.301 20 0 EEADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001607030897 1351401039 /nfs/dbraw/zinc/40/10/39/1351401039.db2.gz PIDZAVRIKRSCEC-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001607030897 1351401041 /nfs/dbraw/zinc/40/10/41/1351401041.db2.gz PIDZAVRIKRSCEC-VIFPVBQESA-N -1 1 345.309 2.368 20 0 EEADMM COc1c(NCCN2CC=C(C(C)(C)C)CC2)ncnc1C(=O)[O-] ZINC001607042666 1351402824 /nfs/dbraw/zinc/40/28/24/1351402824.db2.gz UWMHBCFAEOEFNJ-UHFFFAOYSA-N -1 1 334.420 2.274 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001607102267 1351418962 /nfs/dbraw/zinc/41/89/62/1351418962.db2.gz VCYSCUCAPJRANE-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM O[C@@H]1CCC[C@@H]1[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001607102267 1351418966 /nfs/dbraw/zinc/41/89/66/1351418966.db2.gz VCYSCUCAPJRANE-IWSPIJDZSA-N -1 1 340.840 2.106 20 0 EEADMM OCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001607107699 1351421266 /nfs/dbraw/zinc/42/12/66/1351421266.db2.gz XADIGAQGPZVKOT-LBPRGKRZSA-N -1 1 330.779 2.451 20 0 EEADMM OCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001607107699 1351421268 /nfs/dbraw/zinc/42/12/68/1351421268.db2.gz XADIGAQGPZVKOT-LBPRGKRZSA-N -1 1 330.779 2.451 20 0 EEADMM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1cc(N(C)C)ccn1 ZINC001607134810 1351434592 /nfs/dbraw/zinc/43/45/92/1351434592.db2.gz PTFPPZBOHVEUIE-UHFFFAOYSA-N -1 1 344.371 2.176 20 0 EEADMM COc1ccc(NC(=O)CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001607271055 1351462362 /nfs/dbraw/zinc/46/23/62/1351462362.db2.gz LISBYLZABUUYCL-SFHVURJKSA-N -1 1 343.383 2.008 20 0 EEADMM COc1cccc(-c2csc(CN3C[C@H](C(=O)[O-])C[C@H](O)C3)n2)c1 ZINC001607303371 1351469089 /nfs/dbraw/zinc/46/90/89/1351469089.db2.gz UMQDMEYTBHWRLB-OLZOCXBDSA-N -1 1 348.424 2.086 20 0 EEADMM COc1cccc([C@@H](C(=O)[O-])N2CCCN(CC(F)(F)F)CC2)c1 ZINC001607310195 1351469781 /nfs/dbraw/zinc/46/97/81/1351469781.db2.gz AWBJBLXYNSJWQX-AWEZNQCLSA-N -1 1 346.349 2.391 20 0 EEADMM CSCc1n[nH]c(CN[C@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001607400493 1351487940 /nfs/dbraw/zinc/48/79/40/1351487940.db2.gz HFRHLNMTMPXGNA-LBPRGKRZSA-N -1 1 326.809 2.237 20 0 EEADMM CSCc1nnc(CN[C@H](C(=O)[O-])c2ccccc2Cl)[nH]1 ZINC001607400493 1351487945 /nfs/dbraw/zinc/48/79/45/1351487945.db2.gz HFRHLNMTMPXGNA-LBPRGKRZSA-N -1 1 326.809 2.237 20 0 EEADMM CSc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC001607409375 1351489802 /nfs/dbraw/zinc/48/98/02/1351489802.db2.gz IZFKYAITQUMYKI-UHFFFAOYSA-N -1 1 342.373 2.442 20 0 EEADMM Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001607500772 1351506263 /nfs/dbraw/zinc/50/62/63/1351506263.db2.gz XKWMHZKUNBVEMK-YFKPBYRVSA-N -1 1 348.306 2.383 20 0 EEADMM Cc1cc2c[nH]nc2c(C(=O)N2CCc3ccc(C(=O)[O-])nc3C2)c1 ZINC001607571454 1351517320 /nfs/dbraw/zinc/51/73/20/1351517320.db2.gz TXHULRATGYGTCM-UHFFFAOYSA-N -1 1 336.351 2.163 20 0 EEADMM Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c2nccc(C)c2c1 ZINC001607580754 1351519136 /nfs/dbraw/zinc/51/91/36/1351519136.db2.gz RTXCTNPVFQQDNX-HNNXBMFYSA-N -1 1 338.367 2.000 20 0 EEADMM Cc1sc([C@@H]2CCCN2CCN2CCOC[C@@H]2C)nc1C(=O)[O-] ZINC001608069508 1351618334 /nfs/dbraw/zinc/61/83/34/1351618334.db2.gz WGFBCPSWVDELBA-AAEUAGOBSA-N -1 1 339.461 2.007 20 0 EEADMM Cn1cc(C(=O)[O-])c(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)n1 ZINC001608100332 1351625123 /nfs/dbraw/zinc/62/51/23/1351625123.db2.gz QEXNSEVMIYAULR-UHFFFAOYSA-N -1 1 345.746 2.414 20 0 EEADMM O=C([O-])c1cc(Cl)cc(NC(=O)CCN2CC[C@H](F)C2)c1O ZINC001608307803 1351667768 /nfs/dbraw/zinc/66/77/68/1351667768.db2.gz AEGIQSDSHJOAJM-VIFPVBQESA-N -1 1 330.743 2.116 20 0 EEADMM O=C([O-])c1ccc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)[nH]1 ZINC001608434624 1351694399 /nfs/dbraw/zinc/69/43/99/1351694399.db2.gz NDQPWWZXZRWESK-CQSZACIVSA-N -1 1 341.411 2.355 20 0 EEADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])nnn1Cc1ccncc1 ZINC001624926239 1352434877 /nfs/dbraw/zinc/43/48/77/1352434877.db2.gz KPJCWBATGVVWFK-UHFFFAOYSA-N -1 1 327.319 2.127 20 0 EEADMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000042250122 1352525801 /nfs/dbraw/zinc/52/58/01/1352525801.db2.gz CYPSWQYMXRSSJI-UHFFFAOYSA-N -1 1 336.207 2.062 20 0 EEADMM CSc1ncc(C(=O)Nc2ccccc2-n2ccnc2)c(=O)[n-]1 ZINC001629732290 1352557591 /nfs/dbraw/zinc/55/75/91/1352557591.db2.gz HQIYSVQEAFBWRG-UHFFFAOYSA-N -1 1 327.369 2.342 20 0 EEADMM CN(C)c1cccc2sc(C(=O)NCc3nc([O-])cc(=O)[nH]3)cc21 ZINC001634157426 1352622655 /nfs/dbraw/zinc/62/26/55/1352622655.db2.gz GWFRQPLKXQYRSV-UHFFFAOYSA-N -1 1 344.396 2.099 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1nc(C)cs1 ZINC001647092567 1353136891 /nfs/dbraw/zinc/13/68/91/1353136891.db2.gz WHHDHLCINYRCCJ-UHFFFAOYSA-N -1 1 334.369 2.217 20 0 EEADMM COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC001647107268 1353145099 /nfs/dbraw/zinc/14/50/99/1353145099.db2.gz YOLIGRMPUFKDRZ-UHTWSYAYSA-N -1 1 347.383 2.209 20 0 EEADMM Cc1ccccc1OCCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC001647945073 1353410406 /nfs/dbraw/zinc/41/04/06/1353410406.db2.gz WMSWKMWPXANURZ-KRWDZBQOSA-N -1 1 337.383 2.183 20 0 EEADMM CCN(CC1CCC1)c1nnc(-c2c[n-][nH]c2=O)n1C[C@@H]1CCOC1 ZINC001650485247 1353945934 /nfs/dbraw/zinc/94/59/34/1353945934.db2.gz AVNAMQNVBGENNH-ZDUSSCGKSA-N -1 1 346.435 2.037 20 0 EEADMM C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[n-][nH]c1=O ZINC001654603680 1354153944 /nfs/dbraw/zinc/15/39/44/1354153944.db2.gz YOWLJMTTWJFFOJ-QMMMGPOBSA-N -1 1 345.384 2.025 20 0 EEADMM CCS(=O)(=O)c1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC000204623699 1356410290 /nfs/dbraw/zinc/41/02/90/1356410290.db2.gz LCDNGBCVQALJTJ-UHFFFAOYSA-N -1 1 325.415 2.029 20 0 EEADMM CSc1nc(CNC(=O)Nc2cccc3nsnc32)cc(=O)[n-]1 ZINC001679597811 1357727741 /nfs/dbraw/zinc/72/77/41/1357727741.db2.gz SPGQHPKXNKVUGD-UHFFFAOYSA-N -1 1 348.413 2.231 20 0 EEADMM CCC(CC)C(=O)N[C@](C)(CNC(=O)c1ncccc1[O-])C1CC1 ZINC001388257711 1387294687 /nfs/dbraw/zinc/29/46/87/1387294687.db2.gz WTQNGVXLUZOIKO-GOSISDBHSA-N -1 1 333.432 2.238 20 0 EEADMM CC(C)C[C@H](CNC(=O)c1ncccc1[O-])NC(=O)C1CC2(CC2)C1 ZINC001388544594 1387536088 /nfs/dbraw/zinc/53/60/88/1387536088.db2.gz PSMDYCAPTNWVKL-CQSZACIVSA-N -1 1 345.443 2.238 20 0 EEADMM Cc1ccc(C(=O)NC[C@H](NC(=O)c2ncccc2[O-])C(C)C)cc1 ZINC001388953398 1387833256 /nfs/dbraw/zinc/83/32/56/1387833256.db2.gz KVOJJDDTMDEVSU-HNNXBMFYSA-N -1 1 341.411 2.280 20 0 EEADMM COC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)cn1 ZINC001189419866 1368355140 /nfs/dbraw/zinc/35/51/40/1368355140.db2.gz IWNQKWABEKBGAG-UHFFFAOYSA-N -1 1 342.323 2.088 20 0 EEADMM COC(=O)/C=C/c1ccc([N-]S(=O)(=O)CC[Si](C)(C)C)nc1 ZINC001195049064 1368502001 /nfs/dbraw/zinc/50/20/01/1368502001.db2.gz YYCXCXGQDYQCAK-SOFGYWHQSA-N -1 1 342.493 2.348 20 0 EEADMM Cc1c(NC(=O)c2nc(C)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC001195331157 1368520795 /nfs/dbraw/zinc/52/07/95/1368520795.db2.gz UAPXEGXLNMZDMS-UHFFFAOYSA-N -1 1 338.367 2.146 20 0 EEADMM Cc1cc(F)ccc1NC(=S)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001196144144 1368585828 /nfs/dbraw/zinc/58/58/28/1368585828.db2.gz LXSSMMWKSVOMOG-UHFFFAOYSA-N -1 1 334.336 2.021 20 0 EEADMM O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccnc(OC2CCC2)n1 ZINC001199655621 1368691497 /nfs/dbraw/zinc/69/14/97/1368691497.db2.gz VCUWYLWCJDIMMM-UHFFFAOYSA-N -1 1 325.328 2.242 20 0 EEADMM CC1(C)C[C@@H](C(=O)N2CCC[C@H]2c2nn[n-]n2)c2ccccc2O1 ZINC000900390132 1369923015 /nfs/dbraw/zinc/92/30/15/1369923015.db2.gz LGCDIVRJYNQEOQ-OLZOCXBDSA-N -1 1 327.388 2.208 20 0 EEADMM Cc1cn2c(nc(CN3CCC[C@@H](CC(=O)[O-])CC3)cc2=O)s1 ZINC000903404003 1369969196 /nfs/dbraw/zinc/96/91/96/1369969196.db2.gz BYFXMNVGRVAIDK-GFCCVEGCSA-N -1 1 335.429 2.141 20 0 EEADMM Cc1nc([C@@H](C)[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)no1 ZINC001116426840 1371726238 /nfs/dbraw/zinc/72/62/38/1371726238.db2.gz IZLAQTCFQPCYFI-SNVBAGLBSA-N -1 1 348.384 2.214 20 0 EEADMM CCOC[C@@H](NCc1cc(Br)cnc1Cl)C(=O)[O-] ZINC001118196227 1371779036 /nfs/dbraw/zinc/77/90/36/1371779036.db2.gz YEGMBFSMFHRUED-SECBINFHSA-N -1 1 337.601 2.077 20 0 EEADMM O=C([N-]C[C@@H]1CCCN(Cc2nnc(C3CC3)s2)C1)C(F)(F)F ZINC000829951977 1372301753 /nfs/dbraw/zinc/30/17/53/1372301753.db2.gz DLQHOAUAGKPJGP-VIFPVBQESA-N -1 1 348.394 2.306 20 0 EEADMM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC000830227242 1372321352 /nfs/dbraw/zinc/32/13/52/1372321352.db2.gz DBSXDTGOAQUFKM-SNVBAGLBSA-N -1 1 329.809 2.117 20 0 EEADMM CC(C)(C)C1CCN(NC(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000830248949 1372322545 /nfs/dbraw/zinc/32/25/45/1372322545.db2.gz GXLXGJIOZOFYNN-UHFFFAOYSA-N -1 1 333.461 2.421 20 0 EEADMM Cc1cc(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)nn1C(C)C ZINC000830795724 1372349816 /nfs/dbraw/zinc/34/98/16/1372349816.db2.gz OCEUENHNQRIEMM-AWEZNQCLSA-N -1 1 346.353 2.056 20 0 EEADMM CC(=O)[C@@H](C)CCOC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000849720047 1373264810 /nfs/dbraw/zinc/26/48/10/1373264810.db2.gz AHTMDNZOGINBNM-JTQLQIEISA-N -1 1 333.388 2.143 20 0 EEADMM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001361497557 1373302938 /nfs/dbraw/zinc/30/29/38/1373302938.db2.gz NCXLCMQUPOIJHD-UHFFFAOYSA-N -1 1 344.346 2.411 20 0 EEADMM C[S@@](=N)(=O)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC001362727435 1373455906 /nfs/dbraw/zinc/45/59/06/1373455906.db2.gz IKCCJDDZFUJZME-HSZRJFAPSA-N -1 1 332.385 2.347 20 0 EEADMM CCn1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C(C)C)n1 ZINC001363017074 1373475846 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EEADMM CC(C)CCC(=O)N1CC2(C1)CCCN(C(=O)c1ncccc1[O-])C2 ZINC001383425728 1382486393 /nfs/dbraw/zinc/48/63/93/1382486393.db2.gz HGXDMICDUVEKJR-UHFFFAOYSA-N -1 1 345.443 2.288 20 0 EEADMM CC(C)(C)CC(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001384757552 1385261278 /nfs/dbraw/zinc/26/12/78/1385261278.db2.gz NFIHNJYJOKBEIZ-KBPBESRZSA-N -1 1 345.443 2.381 20 0 EEADMM CC(C)CC1(C(=O)N2CC[C@@H](NC(=O)c3ncccc3[O-])C2)CCC1 ZINC001385570165 1385692304 /nfs/dbraw/zinc/69/23/04/1385692304.db2.gz XWSZSOIXXOMSPN-CQSZACIVSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)CCC1CC1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001386461879 1386151228 /nfs/dbraw/zinc/15/12/28/1386151228.db2.gz ODHVEQZAZNCGAU-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CCC(CC)C(=O)N[C@@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001388081196 1387173215 /nfs/dbraw/zinc/17/32/15/1387173215.db2.gz ASTKDNNYEFRVSH-ZDUSSCGKSA-N -1 1 348.447 2.120 20 0 EEADMM C[C@@H](CN(C)Cc1ncc(C(C)(C)C)o1)NC(=O)c1ncccc1[O-] ZINC001392643517 1390133422 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YPZNYXLYVJRPNI-ZUZCIYMTSA-N -1 1 344.375 2.455 20 0 EEADMM Cc1nsc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1-c1nn[n-]n1 ZINC001592480525 1404701179 /nfs/dbraw/zinc/70/11/79/1404701179.db2.gz YPZNYXLYVJRPNI-ZUZCIYMTSA-N -1 1 344.375 2.455 20 0 EEADMM Fc1cccc2c1SCC[C@H]2Nc1cncc(-c2nnn[n-]2)n1 ZINC001592661312 1404706449 /nfs/dbraw/zinc/70/64/49/1404706449.db2.gz OHALFZDURZSVMX-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM Fc1cccc2c1SCC[C@H]2Nc1cncc(-c2nn[n-]n2)n1 ZINC001592661312 1404706454 /nfs/dbraw/zinc/70/64/54/1404706454.db2.gz OHALFZDURZSVMX-SNVBAGLBSA-N -1 1 329.364 2.445 20 0 EEADMM O=C(NC[C@@H]1CCCCC1(F)F)c1csc(-c2nn[n-]n2)c1 ZINC001593031546 1404735568 /nfs/dbraw/zinc/73/55/68/1404735568.db2.gz BHFRJJMUPKCYBU-VIFPVBQESA-N -1 1 327.360 2.484 20 0 EEADMM Cc1[nH]nc(NC(=O)c2cccc(-c3ccoc3)c2)c1-c1nn[n-]n1 ZINC001606014870 1404754554 /nfs/dbraw/zinc/75/45/54/1404754554.db2.gz RGYKDHUIOMEPDL-UHFFFAOYSA-N -1 1 335.327 2.411 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1 ZINC001606065708 1404761351 /nfs/dbraw/zinc/76/13/51/1404761351.db2.gz ZXNIQEJOLNKPEB-XJKSGUPXSA-N -1 1 337.387 2.155 20 0 EEADMM Cc1nc(N[C@H](c2ccccc2)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1 ZINC001606065708 1404761355 /nfs/dbraw/zinc/76/13/55/1404761355.db2.gz ZXNIQEJOLNKPEB-XJKSGUPXSA-N -1 1 337.387 2.155 20 0 EEADMM CCC[C@@H](N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000185047090 1406054264 /nfs/dbraw/zinc/05/42/64/1406054264.db2.gz XCDHACRKKOALNY-MLGOLLRUSA-N -1 1 331.416 2.058 20 0 EEADMM C/C(=C/C(=O)NCCC1(CNC(=O)c2ncccc2[O-])CC1)C1CC1 ZINC001756892789 1409459806 /nfs/dbraw/zinc/45/98/06/1409459806.db2.gz VEHWFBKISMYCPR-QBFSEMIESA-N -1 1 343.427 2.160 20 0 EEADMM C[C@H](CCC(C)(C)C)C(=O)N1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001210678673 758092166 /nfs/dbraw/zinc/09/21/66/758092166.db2.gz VGVMFVHTONBMHP-CHWSQXEVSA-N -1 1 337.468 2.053 20 0 EEADMM CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(N)=O ZINC000843596667 760140719 /nfs/dbraw/zinc/14/07/19/760140719.db2.gz DRAXGROLFCXAFZ-MRVPVSSYSA-N -1 1 325.142 2.465 20 0 EEADMM Cc1ccccc1C(=O)NCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001075465516 761028462 /nfs/dbraw/zinc/02/84/62/761028462.db2.gz AVCHZAWSMYEROO-ZDUSSCGKSA-N -1 1 327.384 2.034 20 0 EEADMM Cc1sccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC000979663913 770805784 /nfs/dbraw/zinc/80/57/84/770805784.db2.gz JBRXASLKZQNUPV-HAQNSBGRSA-N -1 1 345.424 2.096 20 0 EEADMM O=S(=O)([N-][C@H](c1ccccn1)C1CC1)c1ccc(F)nc1F ZINC000921428725 773338316 /nfs/dbraw/zinc/33/83/16/773338316.db2.gz BPHWCTXXYHSUTJ-ZDUSSCGKSA-N -1 1 325.340 2.184 20 0 EEADMM O=C(NC[C@@H]1CCCN1Cc1ccc(Cl)nc1)c1ncccc1[O-] ZINC001027843541 773407537 /nfs/dbraw/zinc/40/75/37/773407537.db2.gz BZMIOALLFDIKEB-ZDUSSCGKSA-N -1 1 346.818 2.230 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000942755981 783140446 /nfs/dbraw/zinc/14/04/46/783140446.db2.gz KDCYWKULBKGSFC-CQSZACIVSA-N -1 1 343.427 2.040 20 0 EEADMM CCN(C(=O)c1ncccc1[O-])[C@H]1CCN(C(=O)c2ccoc2C)C1 ZINC000942759123 783147840 /nfs/dbraw/zinc/14/78/40/783147840.db2.gz TYXXBAVLNDEYLD-ZDUSSCGKSA-N -1 1 343.383 2.065 20 0 EEADMM C[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC000980339613 774371063 /nfs/dbraw/zinc/37/10/63/774371063.db2.gz FOFUETNISMNBQN-AJNGGQMLSA-N -1 1 345.443 2.238 20 0 EEADMM CC(C)OCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000068335995 774414055 /nfs/dbraw/zinc/41/40/55/774414055.db2.gz SWZYAISIDSEJPR-LLVKDONJSA-N -1 1 345.424 2.465 20 0 EEADMM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000005879706 775423520 /nfs/dbraw/zinc/42/35/20/775423520.db2.gz KXVRBJUAMICLSH-UHFFFAOYSA-N -1 1 331.284 2.453 20 0 EEADMM Cc1[nH]nc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1[O-] ZINC000980981720 776253129 /nfs/dbraw/zinc/25/31/29/776253129.db2.gz GHYUXJKDXUNMPY-UHFFFAOYSA-N -1 1 328.416 2.080 20 0 EEADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ncccc3[O-])C2)cc1 ZINC000939611945 776956531 /nfs/dbraw/zinc/95/65/31/776956531.db2.gz FJOROJVXLQGLJM-OAHLLOKOSA-N -1 1 339.395 2.082 20 0 EEADMM O=C(c1ncccc1[O-])N1CCC[C@H](CCNc2cc(F)ncn2)C1 ZINC001063272562 790537477 /nfs/dbraw/zinc/53/74/77/790537477.db2.gz SUCIUKCAVQXQMX-GFCCVEGCSA-N -1 1 345.378 2.071 20 0 EEADMM C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939872189 777570038 /nfs/dbraw/zinc/57/00/38/777570038.db2.gz BRXNNCDWTFIIEI-OCCSQVGLSA-N -1 1 349.479 2.053 20 0 EEADMM Cc1cscc1C(=O)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000940653095 779057468 /nfs/dbraw/zinc/05/74/68/779057468.db2.gz OOYRRSNULKZGGH-UHFFFAOYSA-N -1 1 345.424 2.145 20 0 EEADMM C[C@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)c1ncccc1[O-])CC2 ZINC000982214254 779292155 /nfs/dbraw/zinc/29/21/55/779292155.db2.gz YJKZKGZDWZKHJM-ZDUSSCGKSA-N -1 1 343.427 2.040 20 0 EEADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncccc1[O-])C1CC1 ZINC000946279361 790695036 /nfs/dbraw/zinc/69/50/36/790695036.db2.gz YZIYCHUVCQCPSF-OCCSQVGLSA-N -1 1 345.443 2.238 20 0 EEADMM O=C(Nc1ccc2nc([S-])[nH]c2c1)c1cnc2sccn2c1=O ZINC000182636699 779408435 /nfs/dbraw/zinc/40/84/35/779408435.db2.gz RMHXHUWTKNJNLG-UHFFFAOYSA-N -1 1 343.393 2.173 20 0 EEADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OC[C@@H]1CC=CC[C@@H]1C ZINC000067019263 779451450 /nfs/dbraw/zinc/45/14/50/779451450.db2.gz NLDMCEUEQRERQW-FZMZJTMJSA-N -1 1 329.400 2.327 20 0 EEADMM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000060860872 790805623 /nfs/dbraw/zinc/80/56/23/790805623.db2.gz WSOVWKDKDDFHGQ-ZROIWOOFSA-N -1 1 347.440 2.280 20 0 EEADMM C[C@H]1CC([NH2+]CCOP(=O)([O-])[O-])C[C@H](C)N1Cc1ccccc1 ZINC001168015893 781831016 /nfs/dbraw/zinc/83/10/16/781831016.db2.gz TVTPVUAAWULWSA-KBPBESRZSA-N -1 1 342.376 2.127 20 0 EEADMM O=C(NNc1ccc(Br)c(F)c1)c1cncc([O-])c1 ZINC000184514940 783306206 /nfs/dbraw/zinc/30/62/06/783306206.db2.gz NEHGJDBFXWXQCP-UHFFFAOYSA-N -1 1 326.125 2.446 20 0 EEADMM O=C(C1CCCCCC1)N1CCCCC[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001088278733 783341908 /nfs/dbraw/zinc/34/19/08/783341908.db2.gz BFVCBMJLYBSKMF-HNNXBMFYSA-N -1 1 349.479 2.342 20 0 EEADMM O=C(COC(=O)c1cn[n-]n1)N(C1CCCCC1)C1CCCCC1 ZINC000805607072 783695773 /nfs/dbraw/zinc/69/57/73/783695773.db2.gz GHAOGEFGJGOMIQ-UHFFFAOYSA-N -1 1 334.420 2.456 20 0 EEADMM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC000945483400 784167107 /nfs/dbraw/zinc/16/71/07/784167107.db2.gz WVPNLROYHQGUGV-STQMWFEESA-N -1 1 333.432 2.190 20 0 EEADMM C[C@H](C(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)C(C)(F)F ZINC000816776782 784257248 /nfs/dbraw/zinc/25/72/48/784257248.db2.gz HCCCRQFABUABCZ-BDAKNGLRSA-N -1 1 330.297 2.195 20 0 EEADMM C[C@H](NC(=O)c1ncccc1[O-])[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000945611853 784502523 /nfs/dbraw/zinc/50/25/23/784502523.db2.gz XIPCMWHTDQTVTA-ZFWWWQNUSA-N -1 1 343.427 2.110 20 0 EEADMM C[C@H](C(=O)N1CCSC[C@H]1c1nn[n-]n1)c1cccc(Cl)c1 ZINC000907472808 784641061 /nfs/dbraw/zinc/64/10/61/784641061.db2.gz CYDCKULGIAVJGI-CABZTGNLSA-N -1 1 337.836 2.273 20 0 EEADMM CC(C)COc1cccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)c1 ZINC000907476518 784645979 /nfs/dbraw/zinc/64/59/79/784645979.db2.gz ODSQGNRKIOLQBS-CQSZACIVSA-N -1 1 347.444 2.165 20 0 EEADMM C[C@@H]1C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817493285 784794548 /nfs/dbraw/zinc/79/45/48/784794548.db2.gz SKIMTPVSFHRRCD-USWWRNFRSA-N -1 1 326.318 2.279 20 0 EEADMM CC(C)(Nc1ccccc1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000907957039 784985884 /nfs/dbraw/zinc/98/58/84/784985884.db2.gz JDEPNBCIZLLJBQ-LBPRGKRZSA-N -1 1 330.388 2.372 20 0 EEADMM CCC(CC)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ncccc2[O-])C1 ZINC000945882690 785024884 /nfs/dbraw/zinc/02/48/84/785024884.db2.gz KGHZRGIQPWYLHI-HUUCEWRRSA-N -1 1 345.443 2.286 20 0 EEADMM Cc1cnc([C@@H](C)N[C@H]2CN(C(=O)c3ncccc3[O-])CC2(C)C)o1 ZINC000995714706 785285094 /nfs/dbraw/zinc/28/50/94/785285094.db2.gz YOYGHNVDZCBASW-OCCSQVGLSA-N -1 1 344.415 2.285 20 0 EEADMM CSC[C@@H](O)CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000819487653 785565244 /nfs/dbraw/zinc/56/52/44/785565244.db2.gz FFETZMRVAYKBIE-LBPRGKRZSA-N -1 1 336.379 2.309 20 0 EEADMM CN(C)[C@@H](CNC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccs1 ZINC000908747097 785685940 /nfs/dbraw/zinc/68/59/40/785685940.db2.gz MVOMPCMYQYZAIX-LBPRGKRZSA-N -1 1 339.461 2.390 20 0 EEADMM O=C([O-])[C@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000908747826 785688280 /nfs/dbraw/zinc/68/82/80/785688280.db2.gz QVOCIEOYZPFXCQ-HUUCEWRRSA-N -1 1 349.431 2.455 20 0 EEADMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc2[nH]c(C)nc21 ZINC000908980616 785898077 /nfs/dbraw/zinc/89/80/77/785898077.db2.gz QDLFPBXOYHWJHP-LBPRGKRZSA-N -1 1 347.415 2.461 20 0 EEADMM CC1CCN(CC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC1 ZINC000909189203 786083709 /nfs/dbraw/zinc/08/37/09/786083709.db2.gz YEJSMXGWDLUISG-UHFFFAOYSA-N -1 1 329.400 2.396 20 0 EEADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000909975663 786370556 /nfs/dbraw/zinc/37/05/56/786370556.db2.gz SSQBMFAUFXLUND-ZCFIWIBFSA-N -1 1 338.232 2.020 20 0 EEADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909987049 786377231 /nfs/dbraw/zinc/37/72/31/786377231.db2.gz ZJVPJSFSOPKCOU-LBPRGKRZSA-N -1 1 342.298 2.096 20 0 EEADMM CCN(C)[C@@H](C(=O)NCC1(CC(=O)[O-])CCOCC1)c1ccccc1 ZINC000910121283 786479926 /nfs/dbraw/zinc/47/99/26/786479926.db2.gz SLKPKWXIGBXNNQ-QGZVFWFLSA-N -1 1 348.443 2.067 20 0 EEADMM Cc1ncoc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1 ZINC000820912094 786502729 /nfs/dbraw/zinc/50/27/29/786502729.db2.gz DOYPSFINESPBOH-MRVPVSSYSA-N -1 1 340.386 2.134 20 0 EEADMM CN1CCCC[C@H]1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000910583589 786892617 /nfs/dbraw/zinc/89/26/17/786892617.db2.gz YPTOZFXIKSDYKU-GJZGRUSLSA-N -1 1 330.384 2.029 20 0 EEADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C)[C@@H]2CNCc2n[nH]c(=O)[n-]2)CC1 ZINC001036592969 786911802 /nfs/dbraw/zinc/91/18/02/786911802.db2.gz PVZNAYUEEVZXJO-TUVASFSCSA-N -1 1 349.479 2.053 20 0 EEADMM CC(C)c1cc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])n[nH]1 ZINC000911053419 787197778 /nfs/dbraw/zinc/19/77/78/787197778.db2.gz VUAFKPSVHHXQRI-HNNXBMFYSA-N -1 1 329.356 2.194 20 0 EEADMM O=C([O-])c1cccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000911096469 787240622 /nfs/dbraw/zinc/24/06/22/787240622.db2.gz SIIUVVAKFZXTQH-INIZCTEOSA-N -1 1 342.395 2.474 20 0 EEADMM Cc1nc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1C(=O)[O-] ZINC000911104532 787245486 /nfs/dbraw/zinc/24/54/86/787245486.db2.gz FDSVXPBXSDBQJO-MRXNPFEDSA-N -1 1 345.374 2.260 20 0 EEADMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)n1 ZINC000822547257 787260350 /nfs/dbraw/zinc/26/03/50/787260350.db2.gz IWPVKNZFWHPIHL-UONOGXRCSA-N -1 1 342.399 2.395 20 0 EEADMM O=C(CCSc1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822974445 787492852 /nfs/dbraw/zinc/49/28/52/787492852.db2.gz NGENQWXZLQHZFF-UHFFFAOYSA-N -1 1 332.414 2.444 20 0 EEADMM O=C(CCSc1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822974445 787492861 /nfs/dbraw/zinc/49/28/61/787492861.db2.gz NGENQWXZLQHZFF-UHFFFAOYSA-N -1 1 332.414 2.444 20 0 EEADMM O=C([O-])[C@H]1CCCN(CC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000911575372 787549476 /nfs/dbraw/zinc/54/94/76/787549476.db2.gz YVXAFVSUBHOMAH-HLLBOEOZSA-N -1 1 348.418 2.375 20 0 EEADMM CC(C)(C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1n[nH]c(=O)[n-]1)CC2 ZINC001107582962 787720376 /nfs/dbraw/zinc/72/03/76/787720376.db2.gz IJNHDWGGQBHOEO-FZKQIMNGSA-N -1 1 349.479 2.197 20 0 EEADMM CN(CC(=O)[N-]OCc1ccccc1)C[C@](C)(O)c1ccccc1 ZINC000823607040 787830232 /nfs/dbraw/zinc/83/02/32/787830232.db2.gz YBWOYABVLVFAPO-IBGZPJMESA-N -1 1 328.412 2.074 20 0 EEADMM Cc1ccc2oc(NC[C@@H](C)NC(=O)c3ncccc3[O-])nc2c1 ZINC001107690029 788070300 /nfs/dbraw/zinc/07/03/00/788070300.db2.gz HKQSXSLDVFIBKA-LLVKDONJSA-N -1 1 326.356 2.467 20 0 EEADMM CSCC[C@H](NC(=O)CSc1ccc(F)cc1)c1nn[n-]n1 ZINC000912859870 788416258 /nfs/dbraw/zinc/41/62/58/788416258.db2.gz HEZXVANKJRJMFR-NSHDSACASA-N -1 1 341.437 2.042 20 0 EEADMM CSCC[C@H](NC(=O)CCn1ccc2ccccc21)c1nn[n-]n1 ZINC000912860630 788420611 /nfs/dbraw/zinc/42/06/11/788420611.db2.gz YZFLWQVZHGHVKN-ZDUSSCGKSA-N -1 1 344.444 2.155 20 0 EEADMM CSCC[C@H](NC(=O)Cc1c(C)oc2ccccc21)c1nn[n-]n1 ZINC000912861898 788424177 /nfs/dbraw/zinc/42/41/77/788424177.db2.gz BGYZTXUMFVMGKZ-ZDUSSCGKSA-N -1 1 345.428 2.407 20 0 EEADMM CSCC[C@H](NC(=O)Cc1ccc(F)c(Cl)c1)c1nn[n-]n1 ZINC000912863474 788426801 /nfs/dbraw/zinc/42/68/01/788426801.db2.gz ZDPLBSUHVCGJAN-NSHDSACASA-N -1 1 343.815 2.145 20 0 EEADMM Cc1nc(CN2CCC([C@@H](C)NC(=O)c3ncccc3[O-])CC2)co1 ZINC000997044222 788555791 /nfs/dbraw/zinc/55/57/91/788555791.db2.gz SORUQQUHADYMTB-GFCCVEGCSA-N -1 1 344.415 2.114 20 0 EEADMM CCOCCC1(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CCC1 ZINC000913436894 788872572 /nfs/dbraw/zinc/87/25/72/788872572.db2.gz IGQPGQOLVHJJMP-CQSZACIVSA-N -1 1 329.404 2.002 20 0 EEADMM Cc1ncc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1C ZINC000913482324 788931859 /nfs/dbraw/zinc/93/18/59/788931859.db2.gz MDXQLXGJFMDVSK-UHFFFAOYSA-N -1 1 348.834 2.046 20 0 EEADMM CC(C)c1ccc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)cc1Cl ZINC000913497904 788949170 /nfs/dbraw/zinc/94/91/70/788949170.db2.gz MIQFCHDNXLYIQF-ZDUSSCGKSA-N -1 1 335.795 2.190 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)CCC2CCCC2)C1 ZINC001005947658 788975334 /nfs/dbraw/zinc/97/53/34/788975334.db2.gz AYOKGXWOZQFJTG-CYBMUJFWSA-N -1 1 345.443 2.334 20 0 EEADMM C[C@@H](NC(=O)c1ncccc1[O-])C1CN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001005959651 789047637 /nfs/dbraw/zinc/04/76/37/789047637.db2.gz SEEJUNPPQGFZIM-NWDGAFQWSA-N -1 1 333.432 2.046 20 0 EEADMM O=C([O-])c1ccccc1OCCN1CCOc2ccccc2[C@H]1CO ZINC000923273819 789273501 /nfs/dbraw/zinc/27/35/01/789273501.db2.gz NACZBDISIGKCRO-MRXNPFEDSA-N -1 1 343.379 2.192 20 0 EEADMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc4n[nH]cc43)ccc2o1 ZINC000057119622 789551678 /nfs/dbraw/zinc/55/16/78/789551678.db2.gz VABPOINWTWZYLH-UHFFFAOYSA-N -1 1 341.348 2.470 20 0 EEADMM Cc1cccc2nc(CNC(=O)c3nnc4ccccc4c3O)n(C)c21 ZINC000157568535 789832867 /nfs/dbraw/zinc/83/28/67/789832867.db2.gz GQIBMCRDCYEXBI-UHFFFAOYSA-N -1 1 347.378 2.048 20 0 EEADMM CC(C)Cc1nc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cs1 ZINC000058340368 789856897 /nfs/dbraw/zinc/85/68/97/789856897.db2.gz MUCSSKLFKBIEQN-UHFFFAOYSA-N -1 1 346.408 2.455 20 0 EEADMM CC[C@@H](c1ccc(F)cc1)N1CC(NC(=O)c2ncccc2[O-])C1 ZINC001030242853 789866736 /nfs/dbraw/zinc/86/67/36/789866736.db2.gz YEAANSTWQQDNPE-HNNXBMFYSA-N -1 1 329.375 2.492 20 0 EEADMM Cc1cc(C(=O)NCC2(NC(=O)c3ncccc3[O-])CCC2)oc1C ZINC001062802887 789903380 /nfs/dbraw/zinc/90/33/80/789903380.db2.gz NLFSOUAZJNJIAH-UHFFFAOYSA-N -1 1 343.383 2.080 20 0 EEADMM CC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001144688648 790039066 /nfs/dbraw/zinc/03/90/66/790039066.db2.gz KJOMPVRPAGUDGG-CQSZACIVSA-N -1 1 330.388 2.067 20 0 EEADMM C[S@](=O)CCN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000846286170 790115253 /nfs/dbraw/zinc/11/52/53/790115253.db2.gz SPAODEVUOAWQHZ-IBGZPJMESA-N -1 1 348.262 2.104 20 0 EEADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1ncc(Cl)cn1 ZINC001063737075 791624461 /nfs/dbraw/zinc/62/44/61/791624461.db2.gz LWHHCXXJSMVGKP-ZYHUDNBSSA-N -1 1 347.806 2.193 20 0 EEADMM O=C(C[C@H]1CC=CCC1)NCC1(NC(=O)c2ncccc2[O-])CCC1 ZINC001063936163 791994122 /nfs/dbraw/zinc/99/41/22/791994122.db2.gz SYOCHYCRQOPFLV-AWEZNQCLSA-N -1 1 343.427 2.302 20 0 EEADMM Cc1cc(NC[C@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])ncn1 ZINC001063936720 791996248 /nfs/dbraw/zinc/99/62/48/791996248.db2.gz FTPOAUREFLZKHT-OCCSQVGLSA-N -1 1 341.415 2.238 20 0 EEADMM Cc1ncc(CO)c(C(=O)NCCc2cn(C)c3ccccc23)c1[O-] ZINC001147844267 792000635 /nfs/dbraw/zinc/00/06/35/792000635.db2.gz MXDLGNBGUUIMQW-UHFFFAOYSA-N -1 1 339.395 2.052 20 0 EEADMM Cc1ncc(CO)c(C(=O)N[C@H]2CCc3c2c(F)ccc3F)c1[O-] ZINC001147849055 792007539 /nfs/dbraw/zinc/00/75/39/792007539.db2.gz ZFWPRKPLOYWMAP-ZDUSSCGKSA-N -1 1 334.322 2.283 20 0 EEADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)NC1CCCCCCC1 ZINC000063927470 792059072 /nfs/dbraw/zinc/05/90/72/792059072.db2.gz DVTRVHZLSWUTDJ-UHFFFAOYSA-N -1 1 325.430 2.395 20 0 EEADMM CC/C=C(/C)C(=O)OCC(=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000063931172 792060124 /nfs/dbraw/zinc/06/01/24/792060124.db2.gz CERRDPRQZSQOCL-WMZJFQQLSA-N -1 1 341.310 2.444 20 0 EEADMM CCC[C@@H](CCO)NC(=O)c1cc([O-])c(Br)c(O)c1 ZINC001148995781 792817105 /nfs/dbraw/zinc/81/71/05/792817105.db2.gz IGQZNMBGJIBMEW-VIFPVBQESA-N -1 1 332.194 2.141 20 0 EEADMM CN(C)c1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000010623153 792837018 /nfs/dbraw/zinc/83/70/18/792837018.db2.gz FVWAHNXCLHQSRL-UHFFFAOYSA-N -1 1 333.775 2.186 20 0 EEADMM C[C@H]1CN(C(=O)c2cc([O-])c(Br)c(O)c2)CCCO1 ZINC001148981823 792839322 /nfs/dbraw/zinc/83/93/22/792839322.db2.gz SBMHIDMOZDCHKP-QMMMGPOBSA-N -1 1 330.178 2.111 20 0 EEADMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCn2cccc2C1 ZINC001148990190 792849008 /nfs/dbraw/zinc/84/90/08/792849008.db2.gz ZTXZCGSVKBXKSG-UHFFFAOYSA-N -1 1 337.173 2.318 20 0 EEADMM Cc1cccc(Cl)c1C(=O)NC1CN(C(=O)c2ncccc2[O-])C1 ZINC000999042490 793736609 /nfs/dbraw/zinc/73/66/09/793736609.db2.gz YRPNQRZNPQZSQP-UHFFFAOYSA-N -1 1 345.786 2.003 20 0 EEADMM O=C(CCOc1cccc(Cl)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913743023 794204791 /nfs/dbraw/zinc/20/47/91/794204791.db2.gz BEHNZFDZPXTEAJ-UHFFFAOYSA-N -1 1 335.795 2.028 20 0 EEADMM CC1(C)C[C@@H](C(=O)N2CCC(c3nn[n-]n3)CC2)c2ccccc2O1 ZINC000913746100 794212821 /nfs/dbraw/zinc/21/28/21/794212821.db2.gz JKIMCBXAPMHPKL-CQSZACIVSA-N -1 1 341.415 2.251 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN([C@@H](C)c3ccccc3F)C[C@H]2C)c1[O-] ZINC001079573896 794950773 /nfs/dbraw/zinc/95/07/73/794950773.db2.gz RDROQWSKVZGZJV-IFUGULHKSA-N -1 1 346.406 2.374 20 0 EEADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3cc(C)ccc3F)C[C@H]2C)c1[O-] ZINC001079579307 794957992 /nfs/dbraw/zinc/95/79/92/794957992.db2.gz BHUDALYRJUPGJC-IAQYHMDHSA-N -1 1 346.406 2.122 20 0 EEADMM C[C@H](CCNc1cnc2ccccc2n1)NC(=O)c1ncccc1[O-] ZINC001106296559 795359524 /nfs/dbraw/zinc/35/95/24/795359524.db2.gz VPVXHOYOJJHKOG-GFCCVEGCSA-N -1 1 337.383 2.351 20 0 EEADMM Cc1cc(NCC[C@H](C)NC(=O)c2ncccc2[O-])nc(C2CC2)n1 ZINC001106296759 795362046 /nfs/dbraw/zinc/36/20/46/795362046.db2.gz ZPXUYWLHJXMSSB-NSHDSACASA-N -1 1 341.415 2.384 20 0 EEADMM CC(C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1)=C1CCC1 ZINC000946532921 795530358 /nfs/dbraw/zinc/53/03/58/795530358.db2.gz IRDYMZCGGOBPFM-UHFFFAOYSA-N -1 1 329.400 2.008 20 0 EEADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000946535651 795584667 /nfs/dbraw/zinc/58/46/67/795584667.db2.gz GHQVAVYFAJKNIQ-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CCCC(C)(C)C(=O)N(CC)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001080394199 795938902 /nfs/dbraw/zinc/93/89/02/795938902.db2.gz WWPDEFUZSPVMNA-UHFFFAOYSA-N -1 1 333.432 2.286 20 0 EEADMM CN(CCOCc1ccccc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901021543 796142752 /nfs/dbraw/zinc/14/27/52/796142752.db2.gz LDSFNCDXKBDQQL-UHFFFAOYSA-N -1 1 327.384 2.348 20 0 EEADMM Cc1cc(CN2CCC[C@@H](NC(=O)c3ncccc3[O-])[C@H]2C)sn1 ZINC000993252244 796158969 /nfs/dbraw/zinc/15/89/69/796158969.db2.gz UTSXQXVZIYJMQY-TZMCWYRMSA-N -1 1 346.456 2.335 20 0 EEADMM Cc1oc(-c2cccs2)nc1C(=O)[N-]c1nn2cnnc2s1 ZINC000915641434 796347672 /nfs/dbraw/zinc/34/76/72/796347672.db2.gz RYZQUXRDTJWKJB-UHFFFAOYSA-N -1 1 332.370 2.463 20 0 EEADMM C[C@H]1CC[C@@H](Nc2[n-]c(=O)nc3nc[nH]c32)CN1C(=O)OC(C)(C)C ZINC001173061694 797210413 /nfs/dbraw/zinc/21/04/13/797210413.db2.gz GLJQOCOROKKCFQ-VHSXEESVSA-N -1 1 348.407 2.258 20 0 EEADMM C/C(=C\C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001002217444 797734188 /nfs/dbraw/zinc/73/41/88/797734188.db2.gz AYYCKSCBDJHQJO-HFBDAHEESA-N -1 1 343.427 2.207 20 0 EEADMM CCc1nsc(N[C@H]2CCC[C@@H](NC(=O)c3ncccc3[O-])C2)n1 ZINC001061077060 797972989 /nfs/dbraw/zinc/97/29/89/797972989.db2.gz XECOYFNTJCWOGW-MNOVXSKESA-N -1 1 347.444 2.354 20 0 EEADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)C(=O)c2ncccc2[O-])co1 ZINC001002421571 798055205 /nfs/dbraw/zinc/05/52/05/798055205.db2.gz LJJICWKCJQZZQG-AWEZNQCLSA-N -1 1 343.383 2.065 20 0 EEADMM COc1cc([N-]S(=O)(=O)c2cc(N)ccc2N)ccc1Cl ZINC001175777990 798231344 /nfs/dbraw/zinc/23/13/44/798231344.db2.gz RZUMYWHVPRQIKP-UHFFFAOYSA-N -1 1 327.793 2.314 20 0 EEADMM Cc1nnc(-c2cccc([N-]S(=O)(=O)c3cccc(N)c3)c2)o1 ZINC001175994746 798306857 /nfs/dbraw/zinc/30/68/57/798306857.db2.gz VFTBYZKEGHULLV-UHFFFAOYSA-N -1 1 330.369 2.428 20 0 EEADMM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ncccc1[O-])C1CC1 ZINC001002604462 798324180 /nfs/dbraw/zinc/32/41/80/798324180.db2.gz PSMMZOZBHPNTMG-UKRRQHHQSA-N -1 1 345.443 2.286 20 0 EEADMM COCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2C)cc1F ZINC001176191551 798369258 /nfs/dbraw/zinc/36/92/58/798369258.db2.gz REVBRTAFQRMDCY-UHFFFAOYSA-N -1 1 340.376 2.500 20 0 EEADMM CSc1nc(NC(=O)Cc2ccnc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001177563090 799026419 /nfs/dbraw/zinc/02/64/19/799026419.db2.gz BKYAMNNYBMDQIO-UHFFFAOYSA-N -1 1 344.318 2.499 20 0 EEADMM CCC(CC)C(=O)N[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001065882675 799692257 /nfs/dbraw/zinc/69/22/57/799692257.db2.gz YLZLPIUESVSJGZ-CQSZACIVSA-N -1 1 333.432 2.334 20 0 EEADMM CS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1F ZINC000786466877 806793188 /nfs/dbraw/zinc/79/31/88/806793188.db2.gz ZXDXCCKGCXYIOT-UHFFFAOYSA-N -1 1 327.308 2.326 20 0 EEADMM CSCC[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1nn[n-]n1 ZINC000824912903 800300687 /nfs/dbraw/zinc/30/06/87/800300687.db2.gz HHMVTNQCJYCKTO-LURJTMIESA-N -1 1 335.220 2.059 20 0 EEADMM O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)CCn1ccc2ccccc21 ZINC001180665750 800519922 /nfs/dbraw/zinc/51/99/22/800519922.db2.gz ROSPHVLPPHJEDL-UHFFFAOYSA-N -1 1 327.300 2.269 20 0 EEADMM CC[C@H](COC)NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181016127 800635983 /nfs/dbraw/zinc/63/59/83/800635983.db2.gz CYOCYTUSIVFQEQ-CHWSQXEVSA-N -1 1 346.349 2.338 20 0 EEADMM CC[C@H](COC)NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001181016129 800636034 /nfs/dbraw/zinc/63/60/34/800636034.db2.gz CYOCYTUSIVFQEQ-OLZOCXBDSA-N -1 1 346.349 2.338 20 0 EEADMM CC(=O)N1CCC[C@H](CNC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000828920719 800872532 /nfs/dbraw/zinc/87/25/32/800872532.db2.gz BOBXUANMMZIKRI-CYBMUJFWSA-N -1 1 342.395 2.239 20 0 EEADMM Cc1ccc(NC(=O)[C@H](C)O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000786772904 806884798 /nfs/dbraw/zinc/88/47/98/806884798.db2.gz OCYKCDAFBCWMLT-LBPRGKRZSA-N -1 1 334.397 2.115 20 0 EEADMM Cc1cc(NCCCC[C@@H](C)NC(=O)c2ncccc2[O-])ncn1 ZINC001090079420 801225995 /nfs/dbraw/zinc/22/59/95/801225995.db2.gz HWIXPKJAQSSQLT-GFCCVEGCSA-N -1 1 329.404 2.286 20 0 EEADMM CS(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccccc3)no2)cs1 ZINC001182541718 801241828 /nfs/dbraw/zinc/24/18/28/801241828.db2.gz WVIGFHXMHBBAEO-UHFFFAOYSA-N -1 1 349.393 2.454 20 0 EEADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@@H]1NC(=O)C1CCCCC1 ZINC001004410312 801973884 /nfs/dbraw/zinc/97/38/84/801973884.db2.gz CZPBCAUEQKAFCL-HIFRSBDPSA-N -1 1 345.443 2.334 20 0 EEADMM CO[C@H](Cc1ccccc1)[C@H](C)C(=O)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001184349759 801996834 /nfs/dbraw/zinc/99/68/34/801996834.db2.gz PDMJYCKOJVXAPL-GXSJLCMTSA-N -1 1 346.343 2.118 20 0 EEADMM Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2O)cc1C(=O)[O-] ZINC001184703424 802138609 /nfs/dbraw/zinc/13/86/09/802138609.db2.gz MHWRXLQBGQWVQE-UHFFFAOYSA-N -1 1 343.307 2.478 20 0 EEADMM CN(C)c1nc(NC(=O)C2=NOC3(C2)CCCCC3)c(N=O)c(=O)[n-]1 ZINC001184685250 802152572 /nfs/dbraw/zinc/15/25/72/802152572.db2.gz MGYTYQLYIMPIEA-UHFFFAOYSA-N -1 1 348.363 2.064 20 0 EEADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001004751317 802760964 /nfs/dbraw/zinc/76/09/64/802760964.db2.gz MDKRXSBKBHUMIH-RYUDHWBXSA-N -1 1 345.424 2.129 20 0 EEADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001004752219 802775963 /nfs/dbraw/zinc/77/59/63/802775963.db2.gz PMZFQQZGNAPRMB-DZGCQCFKSA-N -1 1 339.395 2.068 20 0 EEADMM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867001607 803877113 /nfs/dbraw/zinc/87/71/13/803877113.db2.gz SJSIYPOJRZYDEW-IUCAKERBSA-N -1 1 348.396 2.212 20 0 EEADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000790048711 808375911 /nfs/dbraw/zinc/37/59/11/808375911.db2.gz TUKFGASIVNAXHD-UHFFFAOYSA-N -1 1 334.763 2.257 20 0 EEADMM O=C1CCN1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000790350868 808613065 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CC[C@H](C)N1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000324861534 971164193 /nfs/dbraw/zinc/16/41/93/971164193.db2.gz HLCLWEPGPKHFCJ-ZDUSSCGKSA-N -1 1 335.404 2.098 20 0 EEADMM Cc1ccc(CN(CCO)c2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000826287831 947835566 /nfs/dbraw/zinc/83/55/66/947835566.db2.gz FRYGNOYPSYBBTM-UHFFFAOYSA-N -1 1 344.806 2.222 20 0 EEADMM Cc1ccc(CN(CCO)c2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000826287831 947835571 /nfs/dbraw/zinc/83/55/71/947835571.db2.gz FRYGNOYPSYBBTM-UHFFFAOYSA-N -1 1 344.806 2.222 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826346548 948041473 /nfs/dbraw/zinc/04/14/73/948041473.db2.gz PFSKWCQLKVFAKK-YNEHKIRRSA-N -1 1 344.419 2.181 20 0 EEADMM Cc1onc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826346548 948041479 /nfs/dbraw/zinc/04/14/79/948041479.db2.gz PFSKWCQLKVFAKK-YNEHKIRRSA-N -1 1 344.419 2.181 20 0 EEADMM O=C([O-])CC[C@H]1CCCN(C[C@H](O)c2cc(Br)no2)C1 ZINC001595019239 951310483 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